NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20246 | 2fe0 | 6910 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 1H MET 1 1.919 -8.263 22.149 2 HA MET 1 HA MET 1 0.710 -8.440 24.110 3 1HB MET 1 2HB MET 1 0.332 -5.657 22.965 4 2HB MET 1 1HB MET 1 0.143 -6.066 24.671 5 1HG MET 1 2HG MET 1 2.491 -6.928 24.676 6 2HG MET 1 1HG MET 1 2.664 -6.363 23.014 7 1HE MET 1 1HE MET 1 4.801 -3.713 24.586 8 2HE MET 1 2HE MET 1 4.652 -5.164 23.598 9 3HE MET 1 3HE MET 1 4.676 -5.303 25.353 10 H GLY 2 H GLY 2 -1.184 -7.645 21.319 11 1HA GLY 2 2HA GLY 2 -3.436 -9.027 21.830 12 2HA GLY 2 1HA GLY 2 -3.710 -7.551 22.750 13 H CYS 3 H CYS 3 -2.753 -5.573 21.219 14 HA CYS 3 HA CYS 3 -3.191 -4.242 19.397 15 1HB CYS 3 2HB CYS 3 -3.903 -6.687 17.802 16 2HB CYS 3 1HB CYS 3 -3.130 -5.197 17.262 17 HG CYS 3 HG CYS 3 -1.704 -7.549 18.675 18 H GLY 4 H GLY 4 -5.464 -6.999 19.326 19 1HA GLY 4 2HA GLY 4 -7.772 -6.938 19.747 20 2HA GLY 4 1HA GLY 4 -7.703 -5.177 19.756 21 H ALA 5 H ALA 5 -6.019 -6.399 17.124 22 HA ALA 5 HA ALA 5 -8.321 -6.604 15.346 23 1HB ALA 5 1HB ALA 5 -7.397 -4.830 13.833 24 2HB ALA 5 2HB ALA 5 -6.278 -4.384 15.122 25 3HB ALA 5 3HB ALA 5 -8.017 -4.211 15.364 26 H SER 6 H SER 6 -7.773 -7.423 13.258 27 HA SER 6 HA SER 6 -5.421 -9.126 13.310 28 1HB SER 6 2HB SER 6 -7.621 -9.960 12.503 29 2HB SER 6 1HB SER 6 -7.537 -8.817 11.167 30 HG SER 6 HG SER 6 -6.338 -11.224 11.467 31 H SER 7 H SER 7 -3.704 -9.051 11.878 32 HA SER 7 HA SER 7 -3.589 -6.854 9.938 33 1HB SER 7 2HB SER 7 -1.492 -6.010 10.784 34 2HB SER 7 1HB SER 7 -2.656 -6.007 12.106 35 HG SER 7 HG SER 7 -1.731 -7.887 12.883 36 H GLU 8 H GLU 8 -1.738 -7.059 8.467 37 HA GLU 8 HA GLU 8 -0.714 -8.378 6.865 38 1HB GLU 8 2HB GLU 8 0.988 -8.150 8.689 39 2HB GLU 8 1HB GLU 8 0.436 -9.697 9.334 40 1HG GLU 8 2HG GLU 8 0.955 -10.765 7.151 41 2HG GLU 8 1HG GLU 8 1.573 -9.222 6.564 42 H ASN 9 H ASN 9 -2.845 -9.361 6.346 43 HA ASN 9 HA ASN 9 -3.799 -11.758 7.395 44 1HB ASN 9 2HB ASN 9 -4.941 -12.054 5.235 45 2HB ASN 9 1HB ASN 9 -5.071 -10.390 5.804 46 1HD2 ASN 9 1HD2 ASN 9 -4.542 -8.838 4.264 47 2HD2 ASN 9 2HD2 ASN 9 -3.549 -9.107 2.914 48 H SER 10 H SER 10 -1.330 -11.178 4.933 49 HA SER 10 HA SER 10 0.017 -13.613 5.443 50 1HB SER 10 2HB SER 10 -1.828 -14.703 4.335 51 2HB SER 10 1HB SER 10 -1.761 -13.561 2.996 52 HG SER 10 HG SER 10 -0.312 -14.807 2.145 53 H SER 11 H SER 11 1.925 -12.546 5.330 54 HA SER 11 HA SER 11 3.624 -11.215 4.487 55 1HB SER 11 2HB SER 11 2.925 -12.714 1.956 56 2HB SER 11 1HB SER 11 4.491 -12.036 2.392 57 HG SER 11 HG SER 11 3.577 -14.434 2.931 58 H VAL 12 H VAL 12 3.418 -10.866 1.353 59 HA VAL 12 HA VAL 12 1.509 -8.629 1.323 60 HB VAL 12 HB VAL 12 4.318 -8.327 0.261 61 1HG1 VAL 12 1HG1 VAL 12 3.746 -6.013 0.095 62 2HG1 VAL 12 2HG1 VAL 12 2.288 -6.232 1.064 63 3HG1 VAL 12 3HG1 VAL 12 2.369 -6.894 -0.568 64 1HG2 VAL 12 1HG2 VAL 12 4.674 -8.564 2.592 65 2HG2 VAL 12 2HG2 VAL 12 3.170 -7.731 2.991 66 3HG2 VAL 12 3HG2 VAL 12 4.541 -6.821 2.355 67 H THR 13 H THR 13 0.452 -8.408 -0.577 68 HA THR 13 HA THR 13 1.436 -9.975 -2.885 69 HB THR 13 HB THR 13 -1.495 -9.600 -2.315 70 HG1 THR 13 1HG THR 13 0.011 -11.865 -1.562 71 1HG2 THR 13 1HG2 THR 13 -0.034 -11.838 -3.725 72 2HG2 THR 13 2HG2 THR 13 -0.550 -10.373 -4.561 73 3HG2 THR 13 3HG2 THR 13 -1.749 -11.433 -3.818 74 H TYR 14 H TYR 14 1.549 -8.894 -4.757 75 HA TYR 14 HA TYR 14 0.504 -6.141 -4.817 76 1HB TYR 14 2HB TYR 14 2.568 -7.503 -6.567 77 2HB TYR 14 1HB TYR 14 2.076 -5.813 -6.691 78 HD1 TYR 14 1HD TYR 14 4.242 -8.155 -5.040 79 HD2 TYR 14 2HD TYR 14 2.341 -4.328 -4.604 80 HE1 TYR 14 1HE TYR 14 5.865 -7.550 -3.264 81 HE2 TYR 14 2HE TYR 14 3.962 -3.723 -2.829 82 HH TYR 14 HH TYR 14 6.272 -4.390 -2.147 83 H VAL 15 H VAL 15 -0.087 -5.425 -7.144 84 HA VAL 15 HA VAL 15 -1.556 -7.540 -8.569 85 HB VAL 15 HB VAL 15 -3.415 -6.779 -7.479 86 1HG1 VAL 15 1HG1 VAL 15 -2.228 -5.302 -5.956 87 2HG1 VAL 15 2HG1 VAL 15 -3.615 -4.433 -6.615 88 3HG1 VAL 15 3HG1 VAL 15 -1.996 -4.110 -7.235 89 1HG2 VAL 15 1HG2 VAL 15 -3.475 -6.059 -9.952 90 2HG2 VAL 15 2HG2 VAL 15 -3.167 -4.426 -9.362 91 3HG2 VAL 15 3HG2 VAL 15 -4.630 -5.279 -8.871 92 H ASN 16 H ASN 16 -1.001 -4.009 -8.616 93 HA ASN 16 HA ASN 16 -1.146 -3.779 -11.433 94 1HB ASN 16 2HB ASN 16 0.170 -1.992 -9.375 95 2HB ASN 16 1HB ASN 16 -0.085 -1.555 -11.064 96 1HD2 ASN 16 1HD2 ASN 16 -1.393 -0.920 -8.155 97 2HD2 ASN 16 2HD2 ASN 16 -3.036 -0.806 -8.568 98 H GLY 17 H GLY 17 1.418 -4.679 -9.266 99 1HA GLY 17 2HA GLY 17 3.061 -5.888 -11.094 100 2HA GLY 17 1HA GLY 17 3.577 -4.205 -11.105 101 H ARG 18 H ARG 18 5.237 -6.327 -10.284 102 HA ARG 18 HA ARG 18 5.288 -6.271 -7.363 103 1HB ARG 18 2HB ARG 18 7.433 -7.543 -9.014 104 2HB ARG 18 1HB ARG 18 6.745 -8.064 -7.475 105 1HG ARG 18 2HG ARG 18 5.369 -8.169 -10.176 106 2HG ARG 18 1HG ARG 18 5.981 -9.551 -9.266 107 1HD ARG 18 2HD ARG 18 4.438 -8.712 -7.361 108 2HD ARG 18 1HD ARG 18 3.652 -7.753 -8.610 109 HE ARG 18 HE ARG 18 3.571 -10.152 -9.753 110 1HH1 ARG 18 1HH2 ARG 18 3.029 -9.203 -6.470 111 2HH1 ARG 18 2HH2 ARG 18 1.901 -10.477 -6.143 112 1HH2 ARG 18 1HH1 ARG 18 2.094 -11.825 -9.332 113 2HH2 ARG 18 2HH1 ARG 18 1.372 -11.962 -7.763 114 HA PRO 19 HA PRO 19 8.204 -2.993 -7.077 115 1HB PRO 19 2HB PRO 19 9.494 -3.709 -4.771 116 2HB PRO 19 1HB PRO 19 7.858 -3.028 -4.805 117 1HG PRO 19 2HG PRO 19 8.723 -5.864 -4.523 118 2HG PRO 19 1HG PRO 19 7.420 -4.993 -3.697 119 1HD PRO 19 2HD PRO 19 6.950 -6.702 -5.769 120 2HD PRO 19 1HD PRO 19 5.926 -5.287 -5.447 121 H THR 20 H THR 20 10.203 -2.549 -7.878 122 HA THR 20 HA THR 20 11.849 -4.729 -8.811 123 HB THR 20 HB THR 20 13.203 -2.992 -9.841 124 HG1 THR 20 1HG THR 20 11.544 -1.132 -8.501 125 1HG2 THR 20 1HG2 THR 20 11.083 -3.573 -10.940 126 2HG2 THR 20 2HG2 THR 20 11.450 -1.863 -11.169 127 3HG2 THR 20 3HG2 THR 20 10.242 -2.355 -9.981 128 H PHE 21 H PHE 21 11.519 -3.390 -5.852 129 HA PHE 21 HA PHE 21 14.328 -3.976 -5.149 130 1HB PHE 21 2HB PHE 21 13.963 -1.524 -5.163 131 2HB PHE 21 1HB PHE 21 12.657 -1.730 -3.995 132 HD1 PHE 21 1HD PHE 21 13.104 -2.162 -1.675 133 HD2 PHE 21 2HD PHE 21 16.308 -2.107 -4.537 134 HE1 PHE 21 1HE PHE 21 14.756 -2.164 0.174 135 HE2 PHE 21 2HE PHE 21 17.960 -2.108 -2.687 136 HZ PHE 21 HZ PHE 21 17.183 -2.137 -0.331 137 H VAL 22 H VAL 22 14.616 -5.173 -3.323 138 HA VAL 22 HA VAL 22 12.266 -5.717 -1.628 139 HB VAL 22 HB VAL 22 14.116 -7.952 -2.396 140 1HG1 VAL 22 1HG1 VAL 22 12.503 -8.200 -0.519 141 2HG1 VAL 22 2HG1 VAL 22 12.136 -9.294 -1.854 142 3HG1 VAL 22 3HG1 VAL 22 11.183 -7.828 -1.627 143 1HG2 VAL 22 1HG2 VAL 22 13.379 -7.104 -4.541 144 2HG2 VAL 22 2HG2 VAL 22 11.725 -6.929 -3.957 145 3HG2 VAL 22 3HG2 VAL 22 12.418 -8.536 -4.174 146 H GLY 23 H GLY 23 12.732 -5.514 0.465 147 1HA GLY 23 2HA GLY 23 15.574 -5.515 1.271 148 2HA GLY 23 1HA GLY 23 14.292 -4.638 2.099 149 H GLU 24 H GLU 24 13.404 -5.562 3.844 150 HA GLU 24 HA GLU 24 13.468 -8.488 4.115 151 1HB GLU 24 2HB GLU 24 15.484 -7.483 5.256 152 2HB GLU 24 1HB GLU 24 14.368 -6.644 6.335 153 1HG GLU 24 2HG GLU 24 15.019 -8.683 7.437 154 2HG GLU 24 1HG GLU 24 13.357 -8.894 6.889 155 H GLU 25 H GLU 25 12.565 -5.539 5.924 156 HA GLU 25 HA GLU 25 10.085 -6.847 6.776 157 1HB GLU 25 2HB GLU 25 11.545 -5.567 8.392 158 2HB GLU 25 1HB GLU 25 11.095 -4.098 7.525 159 1HG GLU 25 2HG GLU 25 9.580 -4.313 9.382 160 2HG GLU 25 1HG GLU 25 8.675 -4.716 7.925 161 H VAL 26 H VAL 26 8.185 -6.471 5.831 162 HA VAL 26 HA VAL 26 7.933 -4.090 4.092 163 HB VAL 26 HB VAL 26 6.486 -6.696 3.629 164 1HG1 VAL 26 1HG1 VAL 26 6.341 -5.745 1.324 165 2HG1 VAL 26 2HG1 VAL 26 7.145 -4.288 1.907 166 3HG1 VAL 26 3HG1 VAL 26 5.554 -4.725 2.529 167 1HG2 VAL 26 1HG2 VAL 26 9.204 -5.788 2.647 168 2HG2 VAL 26 2HG2 VAL 26 8.260 -7.030 1.824 169 3HG2 VAL 26 3HG2 VAL 26 8.806 -7.291 3.480 170 H THR 27 H THR 27 6.193 -2.822 4.403 171 HA THR 27 HA THR 27 3.891 -3.830 5.903 172 HB THR 27 HB THR 27 4.838 -1.203 6.851 173 HG1 THR 27 1HG THR 27 6.263 -2.466 8.335 174 1HG2 THR 27 1HG2 THR 27 4.087 -3.651 8.442 175 2HG2 THR 27 2HG2 THR 27 2.861 -2.656 7.657 176 3HG2 THR 27 3HG2 THR 27 3.910 -1.955 8.890 177 H LYS 28 H LYS 28 2.046 -2.380 5.799 178 HA LYS 28 HA LYS 28 2.113 -0.738 3.350 179 1HB LYS 28 2HB LYS 28 -0.375 -0.994 3.412 180 2HB LYS 28 1HB LYS 28 0.486 -2.526 3.258 181 1HG LYS 28 2HG LYS 28 0.324 -2.788 5.756 182 2HG LYS 28 1HG LYS 28 -0.707 -1.357 5.786 183 1HD LYS 28 2HD LYS 28 -2.296 -2.471 4.254 184 2HD LYS 28 1HD LYS 28 -1.272 -3.908 4.245 185 1HE LYS 28 2HE LYS 28 -3.139 -4.144 5.853 186 2HE LYS 28 1HE LYS 28 -1.578 -4.159 6.672 187 1HZ LYS 28 1HZ LYS 28 -1.851 -1.923 7.334 188 2HZ LYS 28 2HZ LYS 28 -3.313 -2.708 7.703 189 3HZ LYS 28 3HZ LYS 28 -3.204 -1.705 6.335 190 H GLY 29 H GLY 29 1.768 1.401 3.432 191 1HA GLY 29 2HA GLY 29 1.758 2.774 5.925 192 2HA GLY 29 1HA GLY 29 1.552 3.509 4.338 193 H PHE 30 H PHE 30 -0.671 2.929 3.309 194 HA PHE 30 HA PHE 30 -2.695 3.867 5.144 195 1HB PHE 30 2HB PHE 30 -2.972 3.003 2.256 196 2HB PHE 30 1HB PHE 30 -4.137 3.944 3.188 197 HD1 PHE 30 1HD PHE 30 -3.813 6.291 3.607 198 HD2 PHE 30 2HD PHE 30 -0.756 3.976 1.669 199 HE1 PHE 30 1HE PHE 30 -2.619 8.377 2.996 200 HE2 PHE 30 2HE PHE 30 0.438 6.062 1.060 201 HZ PHE 30 HZ PHE 30 -0.493 8.262 1.723 202 H GLU 31 H GLU 31 -4.217 2.702 6.156 203 HA GLU 31 HA GLU 31 -4.137 -0.202 5.896 204 1HB GLU 31 2HB GLU 31 -4.215 1.079 8.118 205 2HB GLU 31 1HB GLU 31 -5.913 1.382 7.747 206 1HG GLU 31 2HG GLU 31 -6.255 -1.077 7.491 207 2HG GLU 31 1HG GLU 31 -4.583 -1.331 7.988 208 H LYS 32 H LYS 32 -5.082 0.797 3.573 209 HA LYS 32 HA LYS 32 -7.842 -0.159 3.581 210 1HB LYS 32 2HB LYS 32 -7.913 2.348 3.898 211 2HB LYS 32 1HB LYS 32 -7.160 2.497 2.310 212 1HG LYS 32 2HG LYS 32 -9.468 2.648 1.844 213 2HG LYS 32 1HG LYS 32 -9.080 0.966 1.482 214 1HD LYS 32 2HD LYS 32 -10.020 0.196 3.522 215 2HD LYS 32 1HD LYS 32 -10.054 1.819 4.211 216 1HE LYS 32 2HE LYS 32 -12.309 1.081 3.475 217 2HE LYS 32 1HE LYS 32 -11.758 2.500 2.584 218 1HZ LYS 32 1HZ LYS 32 -11.304 -0.239 1.571 219 2HZ LYS 32 2HZ LYS 32 -11.269 1.227 0.714 220 3HZ LYS 32 3HZ LYS 32 -12.748 0.593 1.255 221 H ASP 33 H ASP 33 -8.452 -1.091 1.654 222 HA ASP 33 HA ASP 33 -8.246 -1.987 -0.455 223 1HB ASP 33 2HB ASP 33 -5.942 -0.143 -1.021 224 2HB ASP 33 1HB ASP 33 -7.173 -0.756 -2.126 225 H ASN 34 H ASN 34 -6.142 -2.651 -2.015 226 HA ASN 34 HA ASN 34 -5.024 -4.875 -0.811 227 1HB ASN 34 2HB ASN 34 -3.886 -3.208 -3.067 228 2HB ASN 34 1HB ASN 34 -3.369 -4.842 -2.655 229 1HD2 ASN 34 1HD2 ASN 34 -4.629 -4.024 -5.198 230 2HD2 ASN 34 2HD2 ASN 34 -6.080 -4.897 -5.316 231 H GLY 35 H GLY 35 -3.921 -1.549 -0.774 232 1HA GLY 35 2HA GLY 35 -2.568 -1.379 1.497 233 2HA GLY 35 1HA GLY 35 -1.401 -2.272 0.524 234 H LEU 36 H LEU 36 -2.560 -0.756 -1.887 235 HA LEU 36 HA LEU 36 -2.008 1.098 -3.122 236 1HB LEU 36 2HB LEU 36 -1.703 2.561 -0.500 237 2HB LEU 36 1HB LEU 36 -2.161 3.222 -2.069 238 HG LEU 36 HG LEU 36 -3.789 1.323 -0.357 239 1HD1 LEU 36 1HD1 LEU 36 -4.505 4.083 -1.365 240 2HD1 LEU 36 2HD1 LEU 36 -3.703 3.826 0.185 241 3HD1 LEU 36 3HD1 LEU 36 -5.305 3.146 -0.104 242 1HD2 LEU 36 1HD2 LEU 36 -5.505 1.805 -2.244 243 2HD2 LEU 36 2HD2 LEU 36 -4.227 0.636 -2.577 244 3HD2 LEU 36 3HD2 LEU 36 -4.103 2.279 -3.203 245 H LEU 37 H LEU 37 -0.095 1.816 -0.211 246 HA LEU 37 HA LEU 37 2.345 1.569 -1.869 247 1HB LEU 37 2HB LEU 37 1.809 3.913 -1.258 248 2HB LEU 37 1HB LEU 37 1.874 3.462 0.446 249 HG LEU 37 HG LEU 37 4.241 2.531 -0.146 250 1HD1 LEU 37 1HD1 LEU 37 4.288 4.700 -2.192 251 2HD1 LEU 37 2HD1 LEU 37 3.572 3.161 -2.670 252 3HD1 LEU 37 3HD1 LEU 37 5.241 3.218 -2.102 253 1HD2 LEU 37 1HD2 LEU 37 3.497 5.456 0.068 254 2HD2 LEU 37 2HD2 LEU 37 5.174 4.909 0.106 255 3HD2 LEU 37 3HD2 LEU 37 4.044 4.379 1.352 256 H PHE 38 H PHE 38 3.833 0.170 -1.177 257 HA PHE 38 HA PHE 38 3.557 -0.915 1.557 258 1HB PHE 38 2HB PHE 38 4.815 -2.140 -0.911 259 2HB PHE 38 1HB PHE 38 4.767 -2.893 0.684 260 HD1 PHE 38 1HD PHE 38 2.703 -1.716 -2.163 261 HD2 PHE 38 2HD PHE 38 2.751 -3.882 1.547 262 HE1 PHE 38 1HE PHE 38 0.427 -2.581 -2.639 263 HE2 PHE 38 2HE PHE 38 0.476 -4.746 1.072 264 HZ PHE 38 HZ PHE 38 -0.685 -4.097 -1.021 265 H ARG 39 H ARG 39 5.088 -0.415 2.982 266 HA ARG 39 HA ARG 39 7.440 1.050 2.152 267 1HB ARG 39 2HB ARG 39 6.169 1.590 4.231 268 2HB ARG 39 1HB ARG 39 6.696 0.048 4.908 269 1HG ARG 39 2HG ARG 39 9.048 0.725 4.650 270 2HG ARG 39 1HG ARG 39 8.536 2.261 3.952 271 1HD ARG 39 2HD ARG 39 7.906 1.278 6.749 272 2HD ARG 39 1HD ARG 39 9.058 2.542 6.333 273 HE ARG 39 HE ARG 39 6.401 3.071 5.344 274 1HH1 ARG 39 1HH2 ARG 39 8.550 3.241 8.050 275 2HH1 ARG 39 2HH2 ARG 39 7.722 4.564 8.801 276 1HH2 ARG 39 1HH1 ARG 39 5.309 4.805 6.322 277 2HH2 ARG 39 2HH1 ARG 39 5.887 5.450 7.822 278 H ILE 40 H ILE 40 9.235 0.089 1.474 279 HA ILE 40 HA ILE 40 9.818 -2.655 2.387 280 HB ILE 40 HB ILE 40 11.014 -1.156 0.046 281 1HG1 ILE 40 2HG1 ILE 40 8.853 -3.284 0.030 282 2HG1 ILE 40 1HG1 ILE 40 8.526 -1.557 -0.126 283 1HG2 ILE 40 1HG2 ILE 40 11.104 -4.024 1.007 284 2HG2 ILE 40 2HG2 ILE 40 12.462 -2.931 0.741 285 3HG2 ILE 40 3HG2 ILE 40 11.551 -3.556 -0.633 286 1HD1 ILE 40 1HD1 ILE 40 10.064 -3.341 -2.016 287 2HD1 ILE 40 2HD1 ILE 40 10.207 -1.584 -2.071 288 3HD1 ILE 40 3HD1 ILE 40 8.646 -2.351 -2.361 289 H VAL 41 H VAL 41 11.499 -3.024 3.695 290 HA VAL 41 HA VAL 41 13.601 -0.965 3.918 291 HB VAL 41 HB VAL 41 12.307 -2.399 6.248 292 1HG1 VAL 41 1HG1 VAL 41 14.570 -1.950 6.811 293 2HG1 VAL 41 2HG1 VAL 41 13.664 -0.598 7.491 294 3HG1 VAL 41 3HG1 VAL 41 14.551 -0.394 5.981 295 1HG2 VAL 41 1HG2 VAL 41 11.318 -0.257 6.801 296 2HG2 VAL 41 2HG2 VAL 41 10.889 -0.634 5.132 297 3HG2 VAL 41 3HG2 VAL 41 12.170 0.531 5.472 298 H ASN 42 H ASN 42 15.597 -1.772 3.777 299 HA ASN 42 HA ASN 42 15.936 -4.695 4.020 300 1HB ASN 42 2HB ASN 42 16.507 -3.453 1.841 301 2HB ASN 42 1HB ASN 42 17.890 -2.805 2.723 302 1HD2 ASN 42 1HD2 ASN 42 16.490 -6.085 3.074 303 2HD2 ASN 42 2HD2 ASN 42 17.883 -6.901 2.548 304 H LYS 43 H LYS 43 16.471 -5.087 6.104 305 HA LYS 43 HA LYS 43 17.833 -3.408 7.858 306 1HB LYS 43 2HB LYS 43 17.758 -6.432 7.779 307 2HB LYS 43 1HB LYS 43 18.333 -5.479 9.146 308 1HG LYS 43 2HG LYS 43 16.106 -4.344 9.235 309 2HG LYS 43 1HG LYS 43 15.543 -5.428 7.961 310 1HD LYS 43 2HD LYS 43 16.121 -7.373 9.425 311 2HD LYS 43 1HD LYS 43 16.527 -6.237 10.712 312 1HE LYS 43 2HE LYS 43 14.280 -6.860 11.151 313 2HE LYS 43 1HE LYS 43 14.163 -5.278 10.380 314 1HZ LYS 43 1HZ LYS 43 12.765 -7.360 9.570 315 2HZ LYS 43 2HZ LYS 43 14.157 -7.608 8.628 316 3HZ LYS 43 3HZ LYS 43 13.291 -6.151 8.503 317 H LYS 44 H LYS 44 19.063 -5.586 5.404 318 HA LYS 44 HA LYS 44 21.725 -5.819 6.206 319 1HB LYS 44 2HB LYS 44 20.543 -6.966 4.249 320 2HB LYS 44 1HB LYS 44 20.877 -5.499 3.330 321 1HG LYS 44 2HG LYS 44 23.323 -5.798 4.116 322 2HG LYS 44 1HG LYS 44 22.843 -7.443 4.534 323 1HD LYS 44 2HD LYS 44 22.723 -6.136 1.804 324 2HD LYS 44 1HD LYS 44 23.723 -7.506 2.291 325 1HE LYS 44 2HE LYS 44 21.530 -8.716 2.839 326 2HE LYS 44 1HE LYS 44 20.721 -7.422 1.955 327 1HZ LYS 44 1HZ LYS 44 21.091 -8.833 0.246 328 2HZ LYS 44 2HZ LYS 44 22.449 -9.554 0.969 329 3HZ LYS 44 3HZ LYS 44 22.590 -8.041 0.209 330 H LYS 45 H LYS 45 20.634 -3.629 3.612 331 HA LYS 45 HA LYS 45 22.918 -1.890 4.122 332 1HB LYS 45 2HB LYS 45 20.722 -1.755 2.040 333 2HB LYS 45 1HB LYS 45 22.124 -0.685 2.108 334 1HG LYS 45 2HG LYS 45 23.609 -2.687 1.943 335 2HG LYS 45 1HG LYS 45 22.175 -3.696 1.746 336 1HD LYS 45 2HD LYS 45 21.545 -2.327 -0.252 337 2HD LYS 45 1HD LYS 45 23.069 -1.455 -0.090 338 1HE LYS 45 2HE LYS 45 23.380 -3.223 -1.720 339 2HE LYS 45 1HE LYS 45 24.271 -3.655 -0.261 340 1HZ LYS 45 1HZ LYS 45 21.962 -4.913 -1.452 341 2HZ LYS 45 2HZ LYS 45 21.854 -4.707 0.230 342 3HZ LYS 45 3HZ LYS 45 23.155 -5.569 -0.441 343 H LYS 46 H LYS 46 19.835 -2.190 5.328 344 HA LYS 46 HA LYS 46 18.440 -0.813 6.525 345 1HB LYS 46 2HB LYS 46 21.173 0.165 6.990 346 2HB LYS 46 1HB LYS 46 19.916 1.363 7.299 347 1HG LYS 46 2HG LYS 46 19.644 -1.443 8.360 348 2HG LYS 46 1HG LYS 46 20.591 -0.240 9.236 349 1HD LYS 46 2HD LYS 46 18.745 1.058 9.735 350 2HD LYS 46 1HD LYS 46 17.860 0.537 8.300 351 1HE LYS 46 2HE LYS 46 17.171 -0.358 10.695 352 2HE LYS 46 1HE LYS 46 17.129 -1.430 9.295 353 1HZ LYS 46 1HZ LYS 46 18.629 -2.714 10.261 354 2HZ LYS 46 2HZ LYS 46 18.642 -1.700 11.625 355 3HZ LYS 46 3HZ LYS 46 19.728 -1.424 10.346 356 H GLN 47 H GLN 47 18.650 -0.422 3.631 357 HA GLN 47 HA GLN 47 18.167 2.475 3.383 358 1HB GLN 47 2HB GLN 47 18.389 2.139 0.980 359 2HB GLN 47 1HB GLN 47 19.784 1.444 1.807 360 1HG GLN 47 2HG GLN 47 18.456 -0.769 1.793 361 2HG GLN 47 1HG GLN 47 17.420 0.009 0.597 362 1HE2 GLN 47 1HE2 GLN 47 20.353 1.424 0.085 363 2HE2 GLN 47 2HE2 GLN 47 20.989 0.364 -1.078 364 H TRP 48 H TRP 48 16.161 3.234 3.164 365 HA TRP 48 HA TRP 48 13.931 1.377 3.119 366 1HB TRP 48 2HB TRP 48 14.135 4.380 3.349 367 2HB TRP 48 1HB TRP 48 12.590 3.538 3.242 368 HD1 TRP 48 HD TRP 48 15.256 1.642 5.045 369 HE1 TRP 48 1HE TRP 48 14.788 1.662 7.581 370 HE3 TRP 48 3HE TRP 48 11.546 5.146 5.229 371 HZ2 TRP 48 2HZ TRP 48 13.067 2.991 9.441 372 HZ3 TRP 48 3HZ TRP 48 10.512 5.770 7.393 373 HH2 TRP 48 HH TRP 48 11.267 4.697 9.497 374 H ALA 49 H ALA 49 12.232 1.427 1.575 375 HA ALA 49 HA ALA 49 12.669 2.877 -0.921 376 1HB ALA 49 1HB ALA 49 12.189 0.545 -2.084 377 2HB ALA 49 2HB ALA 49 12.950 -0.084 -0.622 378 3HB ALA 49 3HB ALA 49 13.834 1.029 -1.668 379 H TYR 50 H TYR 50 10.788 3.209 -2.080 380 HA TYR 50 HA TYR 50 8.321 2.095 -0.883 381 1HB TYR 50 2HB TYR 50 8.868 4.880 -1.921 382 2HB TYR 50 1HB TYR 50 7.244 4.266 -1.610 383 HD1 TYR 50 1HD TYR 50 6.753 3.310 0.736 384 HD2 TYR 50 2HD TYR 50 10.170 5.754 -0.164 385 HE1 TYR 50 1HE TYR 50 7.015 3.830 3.146 386 HE2 TYR 50 2HE TYR 50 10.432 6.274 2.248 387 HH TYR 50 HH TYR 50 9.796 5.196 4.438 388 H TYR 51 H TYR 51 6.811 1.287 -2.247 389 HA TYR 51 HA TYR 51 7.338 1.522 -5.149 390 1HB TYR 51 2HB TYR 51 7.859 -0.722 -4.608 391 2HB TYR 51 1HB TYR 51 6.487 -0.862 -3.510 392 HD1 TYR 51 1HD TYR 51 4.226 -1.201 -4.346 393 HD2 TYR 51 2HD TYR 51 7.538 -0.758 -7.045 394 HE1 TYR 51 1HE TYR 51 2.813 -2.016 -6.213 395 HE2 TYR 51 2HE TYR 51 6.124 -1.572 -8.913 396 HH TYR 51 HH TYR 51 3.986 -3.106 -9.064 397 H ASN 52 H ASN 52 5.741 2.448 -6.253 398 HA ASN 52 HA ASN 52 3.165 2.897 -4.957 399 1HB ASN 52 2HB ASN 52 4.122 4.803 -6.063 400 2HB ASN 52 1HB ASN 52 4.359 3.890 -7.552 401 1HD2 ASN 52 1HD2 ASN 52 2.348 6.171 -6.241 402 2HD2 ASN 52 2HD2 ASN 52 0.923 5.815 -7.091 403 H ASP 53 H ASP 53 1.432 1.677 -5.303 404 HA ASP 53 HA ASP 53 1.507 -0.314 -7.461 405 1HB ASP 53 2HB ASP 53 1.021 -1.034 -5.118 406 2HB ASP 53 1HB ASP 53 -0.448 -0.061 -5.165 407 H THR 54 H THR 54 -0.651 2.171 -6.103 408 HA THR 54 HA THR 54 -2.735 1.946 -7.953 409 HB THR 54 HB THR 54 -3.108 4.420 -7.384 410 HG1 THR 54 1HG THR 54 -1.265 5.219 -6.701 411 1HG2 THR 54 1HG2 THR 54 -4.294 2.699 -6.185 412 2HG2 THR 54 2HG2 THR 54 -3.669 3.837 -4.991 413 3HG2 THR 54 3HG2 THR 54 -2.859 2.291 -5.246 414 H THR 55 H THR 55 -3.054 2.657 -9.994 415 HA THR 55 HA THR 55 -0.766 3.955 -11.328 416 HB THR 55 HB THR 55 -1.876 3.135 -13.429 417 HG1 THR 55 1HG THR 55 -3.355 1.237 -12.444 418 1HG2 THR 55 1HG2 THR 55 -0.063 1.885 -12.224 419 2HG2 THR 55 2HG2 THR 55 -1.151 0.841 -13.138 420 3HG2 THR 55 3HG2 THR 55 -1.316 0.968 -11.387 421 H GLN 56 H GLN 56 -3.279 5.038 -9.771 422 HA GLN 56 HA GLN 56 -3.913 7.104 -11.790 423 1HB GLN 56 2HB GLN 56 -6.116 7.147 -10.208 424 2HB GLN 56 1HB GLN 56 -6.005 6.218 -11.704 425 1HG GLN 56 2HG GLN 56 -5.093 5.048 -9.080 426 2HG GLN 56 1HG GLN 56 -6.786 4.978 -9.565 427 1HE2 GLN 56 1HE2 GLN 56 -4.732 2.747 -9.334 428 2HE2 GLN 56 2HE2 GLN 56 -4.734 2.003 -10.860 429 H TYR 57 H TYR 57 -2.719 6.351 -8.717 430 HA TYR 57 HA TYR 57 -2.851 9.201 -7.945 431 1HB TYR 57 2HB TYR 57 -3.025 6.844 -6.053 432 2HB TYR 57 1HB TYR 57 -3.091 8.551 -5.613 433 HD1 TYR 57 1HD TYR 57 -4.950 5.704 -6.892 434 HD2 TYR 57 2HD TYR 57 -5.005 9.972 -6.418 435 HE1 TYR 57 1HE TYR 57 -7.395 5.717 -7.302 436 HE2 TYR 57 2HE TYR 57 -7.451 9.987 -6.828 437 HH TYR 57 HH TYR 57 -9.135 8.565 -7.942 438 H GLU 58 H GLU 58 -0.970 10.096 -7.264 439 HA GLU 58 HA GLU 58 1.443 8.451 -7.428 440 1HB GLU 58 2HB GLU 58 2.481 10.827 -7.003 441 2HB GLU 58 1HB GLU 58 1.805 10.431 -8.584 442 1HG GLU 58 2HG GLU 58 -0.296 11.519 -8.009 443 2HG GLU 58 1HG GLU 58 0.273 11.819 -6.367 444 H MET 59 H MET 59 2.780 8.012 -5.735 445 HA MET 59 HA MET 59 1.667 8.461 -3.069 446 1HB MET 59 2HB MET 59 3.742 6.630 -4.223 447 2HB MET 59 1HB MET 59 3.715 6.941 -2.487 448 1HG MET 59 2HG MET 59 2.324 4.939 -3.404 449 2HG MET 59 1HG MET 59 1.570 6.014 -2.227 450 1HE MET 59 1HE MET 59 -1.594 5.596 -4.134 451 2HE MET 59 2HE MET 59 -0.910 6.191 -2.624 452 3HE MET 59 3HE MET 59 -0.457 4.596 -3.220 453 H HIS 60 H HIS 60 2.345 10.060 -1.806 454 HA HIS 60 HA HIS 60 4.982 11.278 -2.357 455 1HB HIS 60 2HB HIS 60 2.530 12.438 -1.011 456 2HB HIS 60 1HB HIS 60 4.075 13.271 -1.179 457 HD1 HIS 60 1HD HIS 60 4.457 14.508 -3.329 458 HD2 HIS 60 2HD HIS 60 1.343 11.754 -3.653 459 HE1 HIS 60 1HE HIS 60 3.426 14.858 -5.615 460 HE2 HIS 60 2HE HIS 60 1.526 13.186 -5.828 461 H VAL 61 H VAL 61 6.540 10.913 -0.917 462 HA VAL 61 HA VAL 61 5.776 9.904 1.748 463 HB VAL 61 HB VAL 61 8.317 9.627 0.134 464 1HG1 VAL 61 1HG1 VAL 61 8.980 8.141 2.120 465 2HG1 VAL 61 2HG1 VAL 61 7.699 8.955 3.017 466 3HG1 VAL 61 3HG1 VAL 61 9.058 9.883 2.384 467 1HG2 VAL 61 1HG2 VAL 61 7.759 7.258 0.184 468 2HG2 VAL 61 2HG2 VAL 61 6.362 8.152 -0.415 469 3HG2 VAL 61 3HG2 VAL 61 6.387 7.567 1.249 470 H LEU 62 H LEU 62 6.170 11.077 3.513 471 HA LEU 62 HA LEU 62 8.232 13.168 3.443 472 1HB LEU 62 2HB LEU 62 6.071 14.257 2.872 473 2HB LEU 62 1HB LEU 62 5.400 13.667 4.393 474 HG LEU 62 HG LEU 62 7.332 14.848 5.561 475 1HD1 LEU 62 1HD1 LEU 62 8.149 16.834 4.064 476 2HD1 LEU 62 2HD1 LEU 62 7.698 15.781 2.724 477 3HD1 LEU 62 3HD1 LEU 62 8.918 15.257 3.885 478 1HD2 LEU 62 1HD2 LEU 62 5.208 16.337 4.007 479 2HD2 LEU 62 2HD2 LEU 62 6.261 17.154 5.160 480 3HD2 LEU 62 3HD2 LEU 62 5.184 15.869 5.707 481 H VAL 63 H VAL 63 9.484 11.958 4.862 482 HA VAL 63 HA VAL 63 8.300 11.442 7.522 483 HB VAL 63 HB VAL 63 10.697 10.119 6.230 484 1HG1 VAL 63 1HG1 VAL 63 10.461 8.546 8.150 485 2HG1 VAL 63 2HG1 VAL 63 9.200 9.583 8.814 486 3HG1 VAL 63 3HG1 VAL 63 10.851 10.185 8.671 487 1HG2 VAL 63 1HG2 VAL 63 9.296 8.257 5.789 488 2HG2 VAL 63 2HG2 VAL 63 8.335 9.648 5.288 489 3HG2 VAL 63 3HG2 VAL 63 8.015 8.868 6.837 490 H THR 64 H THR 64 9.105 12.493 9.231 491 HA THR 64 HA THR 64 11.548 14.105 8.838 492 HB THR 64 HB THR 64 9.314 14.457 10.852 493 HG1 THR 64 1HG THR 64 8.591 15.041 8.855 494 1HG2 THR 64 1HG2 THR 64 11.326 15.326 11.792 495 2HG2 THR 64 2HG2 THR 64 10.476 16.715 11.115 496 3HG2 THR 64 3HG2 THR 64 11.837 16.005 10.247 497 H PHE 65 H PHE 65 13.296 13.763 10.096 498 HA PHE 65 HA PHE 65 13.030 11.777 12.273 499 1HB PHE 65 2HB PHE 65 15.644 12.282 10.913 500 2HB PHE 65 1HB PHE 65 15.036 10.806 11.664 501 HD1 PHE 65 1HD PHE 65 13.690 9.234 10.439 502 HD2 PHE 65 2HD PHE 65 14.795 12.993 8.679 503 HE1 PHE 65 1HE PHE 65 12.897 8.432 8.230 504 HE2 PHE 65 2HE PHE 65 14.002 12.191 6.470 505 HZ PHE 65 HZ PHE 65 13.052 9.912 6.246 506 H ASN 66 H ASN 66 14.533 12.016 14.063 507 HA ASN 66 HA ASN 66 14.748 14.777 14.894 508 1HB ASN 66 2HB ASN 66 14.105 12.853 16.410 509 2HB ASN 66 1HB ASN 66 15.787 12.330 16.331 510 1HD2 ASN 66 1HD2 ASN 66 16.996 13.102 18.058 511 2HD2 ASN 66 2HD2 ASN 66 16.728 14.575 18.856 512 H GLU 67 H GLU 67 16.729 15.740 15.676 513 HA GLU 67 HA GLU 67 18.809 15.818 13.880 514 1HB GLU 67 2HB GLU 67 18.679 17.537 15.517 515 2HB GLU 67 1HB GLU 67 18.770 16.380 16.845 516 1HG GLU 67 2HG GLU 67 21.057 15.912 16.429 517 2HG GLU 67 1HG GLU 67 21.002 16.653 14.831 518 H ASP 68 H ASP 68 18.706 13.934 16.908 519 HA ASP 68 HA ASP 68 21.199 12.611 16.361 520 1HB ASP 68 2HB ASP 68 20.289 13.023 18.662 521 2HB ASP 68 1HB ASP 68 19.045 11.817 18.331 522 H CYS 69 H CYS 69 20.552 11.918 14.149 523 HA CYS 69 HA CYS 69 19.618 9.168 14.248 524 1HB CYS 69 2HB CYS 69 18.221 11.157 12.446 525 2HB CYS 69 1HB CYS 69 17.867 9.437 12.605 526 HG CYS 69 HG CYS 69 17.599 10.649 15.315 527 H ASP 70 H ASP 70 21.199 8.146 13.205 528 HA ASP 70 HA ASP 70 22.807 9.462 11.200 529 1HB ASP 70 2HB ASP 70 23.657 7.752 12.867 530 2HB ASP 70 1HB ASP 70 22.812 6.529 11.920 531 H ILE 71 H ILE 71 21.074 9.937 9.682 532 HA ILE 71 HA ILE 71 20.337 7.585 8.045 533 HB ILE 71 HB ILE 71 18.294 8.816 7.408 534 1HG1 ILE 71 2HG1 ILE 71 19.272 10.818 9.472 535 2HG1 ILE 71 1HG1 ILE 71 19.166 11.100 7.734 536 1HG2 ILE 71 1HG2 ILE 71 18.631 8.645 10.417 537 2HG2 ILE 71 2HG2 ILE 71 18.336 7.255 9.372 538 3HG2 ILE 71 3HG2 ILE 71 17.120 8.523 9.517 539 1HD1 ILE 71 1HD1 ILE 71 16.684 10.542 7.927 540 2HD1 ILE 71 2HD1 ILE 71 17.187 12.057 8.676 541 3HD1 ILE 71 3HD1 ILE 71 16.893 10.633 9.676 542 H LYS 72 H LYS 72 20.085 8.013 5.744 543 HA LYS 72 HA LYS 72 21.601 10.365 4.799 544 1HB LYS 72 2HB LYS 72 22.922 8.145 4.852 545 2HB LYS 72 1HB LYS 72 21.886 7.659 3.510 546 1HG LYS 72 2HG LYS 72 22.601 9.579 2.199 547 2HG LYS 72 1HG LYS 72 23.537 10.201 3.558 548 1HD LYS 72 2HD LYS 72 25.085 9.082 2.091 549 2HD LYS 72 1HD LYS 72 24.867 8.047 3.503 550 1HE LYS 72 2HE LYS 72 23.505 6.525 2.334 551 2HE LYS 72 1HE LYS 72 23.139 7.691 1.061 552 1HZ LYS 72 1HZ LYS 72 24.925 5.796 0.746 553 2HZ LYS 72 2HZ LYS 72 25.938 6.960 1.456 554 3HZ LYS 72 3HZ LYS 72 25.101 7.319 0.022 555 H ALA 73 H ALA 73 21.275 10.742 2.430 556 HA ALA 73 HA ALA 73 18.455 10.218 1.743 557 1HB ALA 73 1HB ALA 73 19.786 12.597 1.852 558 2HB ALA 73 2HB ALA 73 18.358 12.304 0.859 559 3HB ALA 73 3HB ALA 73 19.968 12.183 0.147 560 H LEU 74 H LEU 74 17.905 9.160 -0.091 561 HA LEU 74 HA LEU 74 20.122 8.190 -1.790 562 1HB LEU 74 2HB LEU 74 17.402 6.912 -1.502 563 2HB LEU 74 1HB LEU 74 18.862 6.211 -2.201 564 HG LEU 74 HG LEU 74 18.613 7.059 0.698 565 1HD1 LEU 74 1HD1 LEU 74 18.650 4.225 -0.345 566 2HD1 LEU 74 2HD1 LEU 74 17.137 5.096 -0.094 567 3HD1 LEU 74 3HD1 LEU 74 18.216 4.792 1.268 568 1HD2 LEU 74 1HD2 LEU 74 20.710 5.630 -0.945 569 2HD2 LEU 74 2HD2 LEU 74 20.654 5.487 0.811 570 3HD2 LEU 74 3HD2 LEU 74 20.904 7.064 0.063 571 H GLY 75 H GLY 75 19.244 7.540 -4.055 572 1HA GLY 75 2HA GLY 75 18.677 8.475 -6.102 573 2HA GLY 75 1HA GLY 75 17.083 8.532 -5.356 574 H LYS 76 H LYS 76 16.316 10.455 -6.081 575 HA LYS 76 HA LYS 76 17.997 12.846 -5.920 576 1HB LYS 76 2HB LYS 76 16.120 13.950 -7.090 577 2HB LYS 76 1HB LYS 76 16.678 12.517 -7.955 578 1HG LYS 76 2HG LYS 76 14.505 11.876 -7.945 579 2HG LYS 76 1HG LYS 76 14.773 11.478 -6.248 580 1HD LYS 76 2HD LYS 76 12.901 12.894 -6.157 581 2HD LYS 76 1HD LYS 76 14.239 13.992 -5.816 582 1HE LYS 76 2HE LYS 76 14.288 14.361 -8.394 583 2HE LYS 76 1HE LYS 76 12.663 13.679 -8.363 584 1HZ LYS 76 1HZ LYS 76 13.285 16.274 -7.907 585 2HZ LYS 76 2HZ LYS 76 13.111 15.661 -6.332 586 3HZ LYS 76 3HZ LYS 76 11.838 15.519 -7.449 587 H THR 77 H THR 77 16.244 11.176 -3.773 588 HA THR 77 HA THR 77 14.394 12.829 -2.581 589 HB THR 77 HB THR 77 16.432 11.093 -1.166 590 HG1 THR 77 1HG THR 77 15.316 9.814 -2.529 591 1HG2 THR 77 1HG2 THR 77 13.795 12.306 -0.322 592 2HG2 THR 77 2HG2 THR 77 15.370 12.509 0.444 593 3HG2 THR 77 3HG2 THR 77 14.541 10.956 0.531 594 H LYS 78 H LYS 78 14.465 14.802 -1.728 595 HA LYS 78 HA LYS 78 17.017 16.132 -1.352 596 1HB LYS 78 2HB LYS 78 15.052 17.275 -2.388 597 2HB LYS 78 1HB LYS 78 14.225 17.177 -0.833 598 1HG LYS 78 2HG LYS 78 15.934 18.528 0.230 599 2HG LYS 78 1HG LYS 78 16.920 18.504 -1.233 600 1HD LYS 78 2HD LYS 78 15.727 20.627 -1.115 601 2HD LYS 78 1HD LYS 78 15.074 19.672 -2.446 602 1HE LYS 78 2HE LYS 78 13.108 19.153 -1.280 603 2HE LYS 78 1HE LYS 78 13.837 19.489 0.291 604 1HZ LYS 78 1HZ LYS 78 13.695 21.763 -0.038 605 2HZ LYS 78 2HZ LYS 78 12.235 21.201 -0.701 606 3HZ LYS 78 3HZ LYS 78 13.528 21.624 -1.720 607 H LEU 79 H LEU 79 18.071 16.305 0.517 608 HA LEU 79 HA LEU 79 16.577 15.798 3.020 609 1HB LEU 79 2HB LEU 79 18.023 13.908 2.579 610 2HB LEU 79 1HB LEU 79 19.396 14.975 2.294 611 HG LEU 79 HG LEU 79 19.323 15.748 4.610 612 1HD1 LEU 79 1HD1 LEU 79 17.079 15.741 5.258 613 2HD1 LEU 79 2HD1 LEU 79 17.703 14.337 6.124 614 3HD1 LEU 79 3HD1 LEU 79 16.798 14.119 4.627 615 1HD2 LEU 79 1HD2 LEU 79 19.083 12.730 4.643 616 2HD2 LEU 79 2HD2 LEU 79 20.097 13.746 5.667 617 3HD2 LEU 79 3HD2 LEU 79 20.480 13.559 3.956 618 H GLU 80 H GLU 80 16.656 17.386 4.476 619 HA GLU 80 HA GLU 80 18.976 19.155 4.614 620 1HB GLU 80 2HB GLU 80 17.504 21.183 4.549 621 2HB GLU 80 1HB GLU 80 17.610 20.333 3.006 622 1HG GLU 80 2HG GLU 80 15.486 19.148 3.551 623 2HG GLU 80 1HG GLU 80 15.365 20.099 5.030 624 H GLN 81 H GLN 81 19.072 20.366 6.575 625 HA GLN 81 HA GLN 81 17.395 19.206 8.711 626 1HB GLN 81 2HB GLN 81 19.867 18.834 8.846 627 2HB GLN 81 1HB GLN 81 20.077 20.581 8.979 628 1HG GLN 81 2HG GLN 81 18.680 20.607 11.004 629 2HG GLN 81 1HG GLN 81 18.437 18.868 10.868 630 1HE2 GLN 81 1HE2 GLN 81 19.599 19.754 13.221 631 2HE2 GLN 81 2HE2 GLN 81 21.253 19.376 13.241 632 H GLN 82 H GLN 82 16.532 20.556 10.324 633 HA GLN 82 HA GLN 82 16.138 23.338 9.447 634 1HB GLN 82 2HB GLN 82 14.603 22.125 11.706 635 2HB GLN 82 1HB GLN 82 14.081 23.293 10.490 636 1HG GLN 82 2HG GLN 82 14.567 20.332 10.069 637 2HG GLN 82 1HG GLN 82 13.015 21.167 10.014 638 1HE2 GLN 82 1HE2 GLN 82 14.979 19.740 7.919 639 2HE2 GLN 82 2HE2 GLN 82 14.895 20.804 6.599 640 H GLU 83 H GLU 83 15.846 24.926 11.313 641 HA GLU 83 HA GLU 83 18.273 25.036 12.802 642 1HB GLU 83 2HB GLU 83 17.395 27.093 13.728 643 2HB GLU 83 1HB GLU 83 16.996 27.036 12.010 644 1HG GLU 83 2HG GLU 83 14.753 26.059 12.666 645 2HG GLU 83 1HG GLU 83 15.164 26.422 14.341 646 H ASN 84 H ASN 84 14.994 24.016 13.535 647 HA ASN 84 HA ASN 84 15.194 23.959 16.351 648 1HB ASN 84 2HB ASN 84 13.331 22.264 16.173 649 2HB ASN 84 1HB ASN 84 13.028 23.792 15.346 650 1HD2 ASN 84 1HD2 ASN 84 14.824 20.786 14.435 651 2HD2 ASN 84 2HD2 ASN 84 14.038 20.606 12.942 652 H GLY 85 H GLY 85 16.422 21.862 13.877 653 1HA GLY 85 2HA GLY 85 18.246 20.377 14.322 654 2HA GLY 85 1HA GLY 85 17.639 20.173 15.963 655 H GLU 86 H GLU 86 16.282 19.807 12.676 656 HA GLU 86 HA GLU 86 15.687 16.995 13.272 657 1HB GLU 86 2HB GLU 86 13.631 19.040 12.407 658 2HB GLU 86 1HB GLU 86 13.370 17.296 12.370 659 1HG GLU 86 2HG GLU 86 13.854 17.201 14.809 660 2HG GLU 86 1HG GLU 86 14.016 18.955 14.824 661 H TRP 87 H TRP 87 15.463 15.689 11.430 662 HA TRP 87 HA TRP 87 16.509 16.916 8.962 663 1HB TRP 87 2HB TRP 87 16.507 14.063 9.961 664 2HB TRP 87 1HB TRP 87 17.005 14.521 8.332 665 HD1 TRP 87 HD TRP 87 18.119 14.591 11.939 666 HE1 TRP 87 1HE TRP 87 20.540 15.467 12.070 667 HE3 TRP 87 3HE TRP 87 18.748 16.170 7.124 668 HZ2 TRP 87 2HZ TRP 87 22.488 16.672 10.357 669 HZ3 TRP 87 3HZ TRP 87 20.897 17.171 6.399 670 HH2 TRP 87 HH TRP 87 22.765 17.426 8.008 671 H VAL 88 H VAL 88 15.433 16.749 7.038 672 HA VAL 88 HA VAL 88 12.812 15.380 7.081 673 HB VAL 88 HB VAL 88 13.463 18.099 5.921 674 1HG1 VAL 88 1HG1 VAL 88 10.952 18.040 5.409 675 2HG1 VAL 88 2HG1 VAL 88 11.047 16.299 5.667 676 3HG1 VAL 88 3HG1 VAL 88 11.982 17.051 4.375 677 1HG2 VAL 88 1HG2 VAL 88 11.395 17.317 7.992 678 2HG2 VAL 88 2HG2 VAL 88 11.929 18.942 7.561 679 3HG2 VAL 88 3HG2 VAL 88 13.017 17.855 8.424 680 H ALA 89 H ALA 89 12.351 14.150 5.339 681 HA ALA 89 HA ALA 89 13.989 14.441 2.913 682 1HB ALA 89 1HB ALA 89 14.995 12.672 4.383 683 2HB ALA 89 2HB ALA 89 14.461 12.079 2.810 684 3HB ALA 89 3HB ALA 89 13.484 11.772 4.245 685 H SER 90 H SER 90 12.568 14.792 1.334 686 HA SER 90 HA SER 90 10.041 13.253 1.355 687 1HB SER 90 2HB SER 90 8.892 15.133 0.440 688 2HB SER 90 1HB SER 90 9.830 15.743 1.800 689 HG SER 90 HG SER 90 10.420 15.897 -0.969 690 H VAL 91 H VAL 91 9.338 12.390 -0.579 691 HA VAL 91 HA VAL 91 10.619 12.995 -3.083 692 HB VAL 91 HB VAL 91 12.230 11.431 -1.834 693 1HG1 VAL 91 1HG1 VAL 91 11.656 9.124 -1.681 694 2HG1 VAL 91 2HG1 VAL 91 10.207 9.343 -2.663 695 3HG1 VAL 91 3HG1 VAL 91 10.268 9.991 -1.023 696 1HG2 VAL 91 1HG2 VAL 91 12.462 9.978 -3.948 697 2HG2 VAL 91 2HG2 VAL 91 12.538 11.725 -4.175 698 3HG2 VAL 91 3HG2 VAL 91 11.056 10.850 -4.559 699 H VAL 92 H VAL 92 9.355 12.396 -4.786 700 HA VAL 92 HA VAL 92 6.823 11.051 -4.107 701 HB VAL 92 HB VAL 92 7.501 12.678 -6.566 702 1HG1 VAL 92 1HG1 VAL 92 5.629 11.089 -6.827 703 2HG1 VAL 92 2HG1 VAL 92 5.046 12.753 -6.816 704 3HG1 VAL 92 3HG1 VAL 92 4.868 11.747 -5.379 705 1HG2 VAL 92 1HG2 VAL 92 7.648 14.036 -4.502 706 2HG2 VAL 92 2HG2 VAL 92 6.044 13.478 -4.025 707 3HG2 VAL 92 3HG2 VAL 92 6.237 14.486 -5.459 708 H VAL 93 H VAL 93 6.233 9.166 -5.033 709 HA VAL 93 HA VAL 93 8.089 7.997 -7.019 710 HB VAL 93 HB VAL 93 6.340 6.523 -5.037 711 1HG1 VAL 93 1HG1 VAL 93 7.706 4.590 -5.715 712 2HG1 VAL 93 2HG1 VAL 93 8.604 5.608 -6.839 713 3HG1 VAL 93 3HG1 VAL 93 6.892 5.290 -7.113 714 1HG2 VAL 93 1HG2 VAL 93 8.563 6.024 -3.939 715 2HG2 VAL 93 2HG2 VAL 93 8.050 7.705 -3.803 716 3HG2 VAL 93 3HG2 VAL 93 9.283 7.252 -4.980 717 H TYR 94 H TYR 94 7.272 7.438 -8.944 718 HA TYR 94 HA TYR 94 4.399 7.796 -9.382 719 1HB TYR 94 2HB TYR 94 6.674 7.388 -11.339 720 2HB TYR 94 1HB TYR 94 4.996 7.710 -11.779 721 HD1 TYR 94 1HD TYR 94 8.117 9.212 -11.237 722 HD2 TYR 94 2HD TYR 94 3.931 9.809 -10.478 723 HE1 TYR 94 1HE TYR 94 8.512 11.646 -10.970 724 HE2 TYR 94 2HE TYR 94 4.327 12.242 -10.209 725 HH TYR 94 HH TYR 94 6.127 13.765 -9.690 726 HA PRO 95 HA PRO 95 3.317 3.554 -9.531 727 1HB PRO 95 2HB PRO 95 1.937 4.119 -12.107 728 2HB PRO 95 1HB PRO 95 1.286 3.449 -10.599 729 1HG PRO 95 2HG PRO 95 0.751 5.943 -11.352 730 2HG PRO 95 1HG PRO 95 0.988 5.517 -9.649 731 1HD PRO 95 2HD PRO 95 2.848 6.949 -11.510 732 2HD PRO 95 1HD PRO 95 2.593 7.183 -9.766 733 H CYS 96 H CYS 96 3.641 1.570 -10.730 734 HA CYS 96 HA CYS 96 4.950 0.155 -11.982 735 1HB CYS 96 2HB CYS 96 4.573 2.368 -14.015 736 2HB CYS 96 1HB CYS 96 5.160 0.745 -14.377 737 HG CYS 96 HG CYS 96 2.662 0.170 -13.069 738 H GLU 97 H GLU 97 6.251 2.233 -10.317 739 HA GLU 97 HA GLU 97 8.929 1.927 -11.416 740 1HB GLU 97 2HB GLU 97 7.927 4.119 -12.306 741 2HB GLU 97 1HB GLU 97 8.024 4.697 -10.643 742 1HG GLU 97 2HG GLU 97 10.446 4.159 -10.616 743 2HG GLU 97 1HG GLU 97 10.336 3.649 -12.300 744 H THR 98 H THR 98 10.591 2.356 -9.850 745 HA THR 98 HA THR 98 9.643 2.639 -7.071 746 HB THR 98 HB THR 98 11.741 0.628 -7.895 747 HG1 THR 98 1HG THR 98 9.971 -0.256 -8.721 748 1HG2 THR 98 1HG2 THR 98 11.904 1.299 -5.586 749 2HG2 THR 98 2HG2 THR 98 11.137 -0.289 -5.622 750 3HG2 THR 98 3HG2 THR 98 10.160 1.158 -5.368 751 H GLU 99 H GLU 99 10.891 3.918 -5.817 752 HA GLU 99 HA GLU 99 13.535 4.724 -6.864 753 1HB GLU 99 2HB GLU 99 11.459 6.548 -5.624 754 2HB GLU 99 1HB GLU 99 13.078 7.026 -6.138 755 1HG GLU 99 2HG GLU 99 12.523 6.304 -8.455 756 2HG GLU 99 1HG GLU 99 10.885 5.932 -7.922 757 H MET 100 H MET 100 15.035 5.465 -5.257 758 HA MET 100 HA MET 100 14.768 4.023 -2.754 759 1HB MET 100 2HB MET 100 16.999 5.756 -3.843 760 2HB MET 100 1HB MET 100 17.087 4.810 -2.356 761 1HG MET 100 2HG MET 100 16.294 2.855 -3.993 762 2HG MET 100 1HG MET 100 17.073 3.883 -5.196 763 1HE MET 100 1HE MET 100 17.201 2.633 -1.739 764 2HE MET 100 2HE MET 100 18.862 2.168 -1.380 765 3HE MET 100 3HE MET 100 17.864 1.127 -2.391 766 H PHE 101 H PHE 101 15.067 5.010 -0.670 767 HA PHE 101 HA PHE 101 14.067 7.793 -0.587 768 1HB PHE 101 2HB PHE 101 12.432 6.150 0.253 769 2HB PHE 101 1HB PHE 101 13.621 5.570 1.420 770 HD1 PHE 101 1HD PHE 101 12.779 6.223 3.526 771 HD2 PHE 101 2HD PHE 101 12.865 9.056 0.299 772 HE1 PHE 101 1HE PHE 101 12.075 8.018 5.084 773 HE2 PHE 101 2HE PHE 101 12.165 10.853 1.858 774 HZ PHE 101 HZ PHE 101 11.761 10.332 4.248 775 H ILE 102 H ILE 102 14.898 6.273 2.357 776 HA ILE 102 HA ILE 102 17.441 7.783 2.447 777 HB ILE 102 HB ILE 102 17.007 8.224 4.807 778 1HG1 ILE 102 2HG1 ILE 102 14.405 7.648 5.335 779 2HG1 ILE 102 1HG1 ILE 102 14.821 6.282 4.298 780 1HG2 ILE 102 1HG2 ILE 102 16.168 9.923 3.356 781 2HG2 ILE 102 2HG2 ILE 102 14.866 9.596 4.501 782 3HG2 ILE 102 3HG2 ILE 102 14.794 8.929 2.870 783 1HD1 ILE 102 1HD1 ILE 102 15.513 5.422 6.324 784 2HD1 ILE 102 2HD1 ILE 102 15.885 7.011 6.990 785 3HD1 ILE 102 3HD1 ILE 102 16.995 6.251 5.851 786 H GLU 103 H GLU 103 19.002 6.942 4.054 787 HA GLU 103 HA GLU 103 18.687 4.089 4.682 788 1HB GLU 103 2HB GLU 103 19.846 4.120 2.534 789 2HB GLU 103 1HB GLU 103 21.034 5.258 3.169 790 1HG GLU 103 2HG GLU 103 21.811 3.624 4.790 791 2HG GLU 103 1HG GLU 103 20.537 2.500 4.321 792 H GLY 104 H GLY 104 20.114 3.339 6.336 793 1HA GLY 104 2HA GLY 104 22.010 3.886 7.836 794 2HA GLY 104 1HA GLY 104 21.346 5.514 7.926 795 H ARG 105 H ARG 105 21.329 5.199 10.255 796 HA ARG 105 HA ARG 105 19.352 3.295 11.286 797 1HB ARG 105 2HB ARG 105 21.597 3.546 12.381 798 2HB ARG 105 1HB ARG 105 21.138 5.189 12.829 799 1HG ARG 105 2HG ARG 105 19.184 4.311 14.056 800 2HG ARG 105 1HG ARG 105 19.648 2.667 13.614 801 1HD ARG 105 2HD ARG 105 21.843 3.036 14.762 802 2HD ARG 105 1HD ARG 105 21.251 4.605 15.304 803 HE ARG 105 HE ARG 105 19.494 2.425 16.008 804 1HH1 ARG 105 1HH2 ARG 105 22.320 4.238 16.847 805 2HH1 ARG 105 2HH2 ARG 105 22.217 3.879 18.539 806 1HH2 ARG 105 1HH1 ARG 105 19.354 1.947 18.224 807 2HH2 ARG 105 2HH1 ARG 105 20.538 2.582 19.317 808 H VAL 106 H VAL 106 17.429 3.882 12.177 809 HA VAL 106 HA VAL 106 16.713 6.742 11.974 810 HB VAL 106 HB VAL 106 14.759 4.451 12.100 811 1HG1 VAL 106 1HG1 VAL 106 14.502 7.138 10.745 812 2HG1 VAL 106 2HG1 VAL 106 14.132 6.927 12.456 813 3HG1 VAL 106 3HG1 VAL 106 13.217 6.037 11.239 814 1HG2 VAL 106 1HG2 VAL 106 16.290 5.566 9.746 815 2HG2 VAL 106 2HG2 VAL 106 14.705 4.818 9.539 816 3HG2 VAL 106 3HG2 VAL 106 16.045 3.877 10.195 817 H ASN 107 H ASN 107 16.154 7.826 13.755 818 HA ASN 107 HA ASN 107 15.394 6.317 16.172 819 1HB ASN 107 2HB ASN 107 17.613 6.776 16.721 820 2HB ASN 107 1HB ASN 107 17.610 8.317 15.866 821 1HD2 ASN 107 1HD2 ASN 107 18.070 9.769 17.574 822 2HD2 ASN 107 2HD2 ASN 107 17.117 9.907 18.972 823 H GLY 108 H GLY 108 13.489 7.025 16.879 824 1HA GLY 108 2HA GLY 108 11.602 8.350 17.069 825 2HA GLY 108 1HA GLY 108 12.765 9.566 17.589 826 H PHE 109 H PHE 109 10.692 8.497 15.041 827 HA PHE 109 HA PHE 109 11.185 11.003 13.601 828 1HB PHE 109 2HB PHE 109 11.338 9.836 11.440 829 2HB PHE 109 1HB PHE 109 12.654 9.357 12.515 830 HD1 PHE 109 1HD PHE 109 9.874 8.217 10.547 831 HD2 PHE 109 2HD PHE 109 12.334 7.223 13.924 832 HE1 PHE 109 1HE PHE 109 9.145 5.853 10.381 833 HE2 PHE 109 2HE PHE 109 11.608 4.857 13.756 834 HZ PHE 109 HZ PHE 109 10.013 4.172 11.985 835 H LYS 110 H LYS 110 9.482 11.543 12.102 836 HA LYS 110 HA LYS 110 6.938 10.157 12.704 837 1HB LYS 110 2HB LYS 110 7.421 13.080 12.076 838 2HB LYS 110 1HB LYS 110 5.835 12.340 12.296 839 1HG LYS 110 2HG LYS 110 6.652 11.567 14.583 840 2HG LYS 110 1HG LYS 110 8.041 12.629 14.348 841 1HD LYS 110 2HD LYS 110 5.145 13.523 14.230 842 2HD LYS 110 1HD LYS 110 6.209 13.739 15.620 843 1HE LYS 110 2HE LYS 110 7.810 14.912 13.954 844 2HE LYS 110 1HE LYS 110 6.405 15.011 12.894 845 1HZ LYS 110 1HZ LYS 110 7.036 16.570 15.178 846 2HZ LYS 110 2HZ LYS 110 5.527 15.814 15.377 847 3HZ LYS 110 3HZ LYS 110 5.814 16.805 14.026 848 H SER 111 H SER 111 5.716 9.478 11.026 849 HA SER 111 HA SER 111 6.733 10.056 8.311 850 1HB SER 111 2HB SER 111 5.188 7.624 9.226 851 2HB SER 111 1HB SER 111 5.918 7.879 7.643 852 HG SER 111 HG SER 111 7.099 7.309 10.112 853 H LYS 112 H LYS 112 5.394 10.927 6.852 854 HA LYS 112 HA LYS 112 2.493 10.885 7.360 855 1HB LYS 112 2HB LYS 112 3.505 13.067 8.129 856 2HB LYS 112 1HB LYS 112 3.976 13.360 6.454 857 1HG LYS 112 2HG LYS 112 1.602 13.139 5.764 858 2HG LYS 112 1HG LYS 112 1.149 12.913 7.455 859 1HD LYS 112 2HD LYS 112 0.813 15.196 7.251 860 2HD LYS 112 1HD LYS 112 2.500 15.178 7.765 861 1HE LYS 112 2HE LYS 112 3.049 15.057 5.232 862 2HE LYS 112 1HE LYS 112 1.386 15.591 4.996 863 1HZ LYS 112 1HZ LYS 112 2.512 17.572 5.116 864 2HZ LYS 112 2HZ LYS 112 3.629 17.007 6.264 865 3HZ LYS 112 3HZ LYS 112 2.038 17.375 6.732 866 H MET 113 H MET 113 1.487 10.079 5.634 867 HA MET 113 HA MET 113 2.677 10.546 2.967 868 1HB MET 113 2HB MET 113 1.521 8.003 4.110 869 2HB MET 113 1HB MET 113 1.744 8.255 2.379 870 1HG MET 113 2HG MET 113 4.158 8.735 2.800 871 2HG MET 113 1HG MET 113 3.906 8.353 4.503 872 1HE MET 113 1HE MET 113 3.407 4.747 4.834 873 2HE MET 113 2HE MET 113 1.984 5.755 4.587 874 3HE MET 113 3HE MET 113 3.358 6.388 5.491 875 H ASP 114 H ASP 114 1.098 10.231 1.183 876 HA ASP 114 HA ASP 114 -1.716 10.515 1.824 877 1HB ASP 114 2HB ASP 114 -0.682 12.832 2.059 878 2HB ASP 114 1HB ASP 114 -0.374 12.766 0.325 879 H ALA 115 H ALA 115 -2.942 10.991 -0.338 880 HA ALA 115 HA ALA 115 -1.577 9.572 -2.543 881 1HB ALA 115 1HB ALA 115 -3.918 8.647 -3.062 882 2HB ALA 115 2HB ALA 115 -4.334 9.124 -1.415 883 3HB ALA 115 3HB ALA 115 -3.055 7.941 -1.695 884 H LEU 116 H LEU 116 -1.136 11.572 -3.551 885 HA LEU 116 HA LEU 116 -3.386 13.277 -4.296 886 1HB LEU 116 2HB LEU 116 -0.571 13.659 -5.268 887 2HB LEU 116 1HB LEU 116 -1.806 14.872 -4.925 888 HG LEU 116 HG LEU 116 -0.326 13.184 -2.886 889 1HD1 LEU 116 1HD1 LEU 116 0.913 15.123 -3.897 890 2HD1 LEU 116 2HD1 LEU 116 0.630 15.296 -2.165 891 3HD1 LEU 116 3HD1 LEU 116 -0.368 16.186 -3.316 892 1HD2 LEU 116 1HD2 LEU 116 -2.545 13.461 -2.054 893 2HD2 LEU 116 2HD2 LEU 116 -2.639 15.120 -2.647 894 3HD2 LEU 116 3HD2 LEU 116 -1.597 14.730 -1.279 895 HA PRO 117 HA PRO 117 -3.902 11.475 -8.282 896 1HB PRO 117 2HB PRO 117 -4.874 13.605 -9.678 897 2HB PRO 117 1HB PRO 117 -5.823 12.742 -8.453 898 1HG PRO 117 2HG PRO 117 -4.373 15.333 -8.245 899 2HG PRO 117 1HG PRO 117 -5.943 14.859 -7.577 900 1HD PRO 117 2HD PRO 117 -3.636 14.940 -6.090 901 2HD PRO 117 1HD PRO 117 -5.002 13.866 -5.718 902 H LEU 118 H LEU 118 -2.623 11.073 -10.020 903 HA LEU 118 HA LEU 118 -0.098 12.008 -10.380 904 1HB LEU 118 2HB LEU 118 -1.947 11.310 -12.671 905 2HB LEU 118 1HB LEU 118 -0.187 11.200 -12.658 906 HG LEU 118 HG LEU 118 -2.082 9.609 -10.905 907 1HD1 LEU 118 1HD1 LEU 118 -0.171 8.570 -13.000 908 2HD1 LEU 118 2HD1 LEU 118 -1.824 9.032 -13.407 909 3HD1 LEU 118 3HD1 LEU 118 -1.532 7.735 -12.248 910 1HD2 LEU 118 1HD2 LEU 118 -0.168 9.835 -9.583 911 2HD2 LEU 118 2HD2 LEU 118 0.905 9.941 -10.979 912 3HD2 LEU 118 3HD2 LEU 118 0.220 8.385 -10.510 913 H SER 119 H SER 119 0.291 14.172 -10.169 914 HA SER 119 HA SER 119 -1.248 16.216 -11.404 915 1HB SER 119 2HB SER 119 1.513 16.158 -10.191 916 2HB SER 119 1HB SER 119 0.827 17.620 -10.892 917 HG SER 119 HG SER 119 -1.034 17.129 -9.465 918 H GLU 120 H GLU 120 0.045 17.882 -12.839 919 HA GLU 120 HA GLU 120 0.306 16.772 -15.387 920 1HB GLU 120 2HB GLU 120 1.209 18.921 -16.068 921 2HB GLU 120 1HB GLU 120 -0.092 19.186 -14.906 922 1HG GLU 120 2HG GLU 120 1.659 19.305 -13.096 923 2HG GLU 120 1HG GLU 120 2.886 19.267 -14.361 924 H GLU 121 H GLU 121 2.647 17.172 -12.826 925 HA GLU 121 HA GLU 121 5.027 16.920 -14.296 926 1HB GLU 121 2HB GLU 121 6.082 16.383 -12.224 927 2HB GLU 121 1HB GLU 121 4.784 17.512 -11.837 928 1HG GLU 121 2HG GLU 121 3.323 15.440 -11.427 929 2HG GLU 121 1HG GLU 121 4.826 14.518 -11.446 930 H TYR 122 H TYR 122 2.744 14.513 -13.114 931 HA TYR 122 HA TYR 122 4.300 12.206 -13.507 932 1HB TYR 122 2HB TYR 122 2.253 12.009 -12.286 933 2HB TYR 122 1HB TYR 122 1.315 12.657 -13.632 934 HD1 TYR 122 1HD TYR 122 3.648 9.846 -12.793 935 HD2 TYR 122 2HD TYR 122 0.324 11.189 -15.160 936 HE1 TYR 122 1HE TYR 122 3.358 7.551 -13.688 937 HE2 TYR 122 2HE TYR 122 0.039 8.895 -16.060 938 HH TYR 122 HH TYR 122 1.237 6.872 -16.347 939 H ARG 123 H ARG 123 2.180 13.998 -15.713 940 HA ARG 123 HA ARG 123 2.293 12.229 -17.894 941 1HB ARG 123 2HB ARG 123 2.030 15.247 -17.900 942 2HB ARG 123 1HB ARG 123 1.659 14.184 -19.258 943 1HG ARG 123 2HG ARG 123 0.012 12.988 -17.764 944 2HG ARG 123 1HG ARG 123 0.282 14.251 -16.561 945 1HD ARG 123 2HD ARG 123 -0.775 14.636 -19.375 946 2HD ARG 123 1HD ARG 123 -1.685 14.819 -17.878 947 HE ARG 123 HE ARG 123 0.469 16.556 -17.677 948 1HH1 ARG 123 1HH2 ARG 123 -2.226 16.016 -19.779 949 2HH1 ARG 123 2HH2 ARG 123 -2.383 17.681 -20.231 950 1HH2 ARG 123 1HH1 ARG 123 0.270 18.740 -18.267 951 2HH2 ARG 123 2HH1 ARG 123 -0.969 19.223 -19.375 952 H GLN 124 H GLN 124 4.405 14.912 -16.949 953 HA GLN 124 HA GLN 124 6.088 14.796 -19.239 954 1HB GLN 124 2HB GLN 124 5.896 16.723 -17.607 955 2HB GLN 124 1HB GLN 124 6.868 15.768 -16.487 956 1HG GLN 124 2HG GLN 124 8.420 17.149 -17.659 957 2HG GLN 124 1HG GLN 124 8.574 15.546 -18.377 958 1HE2 GLN 124 1HE2 GLN 124 6.182 18.202 -18.905 959 2HE2 GLN 124 2HE2 GLN 124 6.413 18.263 -20.585 960 H HIS 125 H HIS 125 6.149 13.220 -16.084 961 HA HIS 125 HA HIS 125 8.720 12.121 -16.165 962 1HB HIS 125 2HB HIS 125 7.587 11.922 -14.115 963 2HB HIS 125 1HB HIS 125 6.150 11.236 -14.873 964 HD1 HIS 125 1HD HIS 125 9.740 10.343 -14.042 965 HD2 HIS 125 2HD HIS 125 6.189 8.452 -15.134 966 HE1 HIS 125 1HE HIS 125 10.143 7.856 -13.779 967 HE2 HIS 125 2HE HIS 125 7.986 6.689 -14.438 968 H GLN 126 H GLN 126 5.725 11.098 -17.690 969 HA GLN 126 HA GLN 126 6.454 8.497 -18.450 970 1HB GLN 126 2HB GLN 126 4.665 10.492 -19.860 971 2HB GLN 126 1HB GLN 126 4.750 8.770 -20.237 972 1HG GLN 126 2HG GLN 126 4.085 8.237 -17.913 973 2HG GLN 126 1HG GLN 126 3.969 9.960 -17.559 974 1HE2 GLN 126 1HE2 GLN 126 2.994 9.711 -20.717 975 2HE2 GLN 126 2HE2 GLN 126 1.324 9.521 -20.483 976 H ALA 127 H ALA 127 7.127 11.630 -19.923 977 HA ALA 127 HA ALA 127 8.194 10.645 -22.363 978 1HB ALA 127 1HB ALA 127 7.462 13.023 -21.883 979 2HB ALA 127 2HB ALA 127 9.010 12.865 -22.713 980 3HB ALA 127 3HB ALA 127 8.967 13.222 -20.986 981 H GLU 128 H GLU 128 9.591 11.310 -19.196 982 HA GLU 128 HA GLU 128 12.314 11.047 -19.931 983 1HB GLU 128 2HB GLU 128 10.938 10.562 -17.277 984 2HB GLU 128 1HB GLU 128 12.686 10.658 -17.502 985 1HG GLU 128 2HG GLU 128 10.745 12.861 -18.256 986 2HG GLU 128 1HG GLU 128 11.669 12.823 -16.755 987 H LYS 129 H LYS 129 9.834 8.725 -19.025 988 HA LYS 129 HA LYS 129 11.485 6.488 -18.578 989 1HB LYS 129 2HB LYS 129 8.642 6.667 -19.600 990 2HB LYS 129 1HB LYS 129 9.428 5.164 -19.117 991 1HG LYS 129 2HG LYS 129 9.797 6.062 -16.858 992 2HG LYS 129 1HG LYS 129 9.049 7.588 -17.333 993 1HD LYS 129 2HD LYS 129 7.254 6.480 -16.330 994 2HD LYS 129 1HD LYS 129 7.027 6.060 -18.029 995 1HE LYS 129 2HE LYS 129 6.834 4.066 -16.573 996 2HE LYS 129 1HE LYS 129 8.204 3.929 -17.675 997 1HZ LYS 129 1HZ LYS 129 8.952 5.240 -15.269 998 2HZ LYS 129 2HZ LYS 129 9.601 3.838 -15.976 999 3HZ LYS 129 3HZ LYS 129 8.264 3.726 -14.933 1000 H ASP 130 H ASP 130 10.137 7.872 -21.528 1001 HA ASP 130 HA ASP 130 12.114 6.539 -23.139 1002 1HB ASP 130 2HB ASP 130 10.572 5.269 -24.536 1003 2HB ASP 130 1HB ASP 130 10.447 4.729 -22.863 1004 H LYS 131 H LYS 131 11.996 7.204 -25.405 1005 HA LYS 131 HA LYS 131 10.153 9.331 -26.110 1006 1HB LYS 131 2HB LYS 131 11.938 10.480 -24.780 1007 2HB LYS 131 1HB LYS 131 13.115 9.930 -25.972 1008 1HG LYS 131 2HG LYS 131 11.841 11.095 -27.751 1009 2HG LYS 131 1HG LYS 131 10.706 11.682 -26.535 1010 1HD LYS 131 2HD LYS 131 12.598 12.804 -25.360 1011 2HD LYS 131 1HD LYS 131 13.674 12.289 -26.659 1012 1HE LYS 131 2HE LYS 131 13.031 14.509 -27.227 1013 2HE LYS 131 1HE LYS 131 12.055 13.466 -28.260 1014 1HZ LYS 131 1HZ LYS 131 10.905 14.076 -25.673 1015 2HZ LYS 131 2HZ LYS 131 10.175 14.033 -27.206 1016 3HZ LYS 131 3HZ LYS 131 11.054 15.403 -26.719 Start of MODEL 2 1 H MET 1 1H MET 1 15.736 -28.959 11.299 2 HA MET 1 HA MET 1 14.367 -29.415 13.041 3 1HB MET 1 2HB MET 1 16.213 -27.366 14.297 4 2HB MET 1 1HB MET 1 15.511 -28.788 15.071 5 1HG MET 1 2HG MET 1 17.684 -29.506 14.537 6 2HG MET 1 1HG MET 1 16.724 -30.123 13.192 7 1HE MET 1 1HE MET 1 19.727 -28.310 14.273 8 2HE MET 1 2HE MET 1 18.622 -26.949 14.451 9 3HE MET 1 3HE MET 1 19.904 -26.881 13.245 10 H GLY 2 H GLY 2 13.251 -28.414 15.089 11 1HA GLY 2 2HA GLY 2 11.634 -27.020 15.955 12 2HA GLY 2 1HA GLY 2 12.346 -25.723 15.000 13 H CYS 3 H CYS 3 10.786 -24.794 13.835 14 HA CYS 3 HA CYS 3 9.226 -26.432 11.996 15 1HB CYS 3 2HB CYS 3 7.993 -24.778 14.197 16 2HB CYS 3 1HB CYS 3 7.110 -25.196 12.729 17 HG CYS 3 HG CYS 3 7.136 -27.007 14.939 18 H GLY 4 H GLY 4 8.272 -25.211 10.289 19 1HA GLY 4 2HA GLY 4 7.830 -22.790 9.580 20 2HA GLY 4 1HA GLY 4 9.542 -22.568 9.928 21 H ALA 5 H ALA 5 7.773 -25.207 8.314 22 HA ALA 5 HA ALA 5 9.746 -25.641 6.349 23 1HB ALA 5 1HB ALA 5 8.005 -26.969 5.197 24 2HB ALA 5 2HB ALA 5 6.794 -26.312 6.297 25 3HB ALA 5 3HB ALA 5 8.084 -27.341 6.919 26 H SER 6 H SER 6 6.963 -23.509 6.469 27 HA SER 6 HA SER 6 7.495 -22.641 3.701 28 1HB SER 6 2HB SER 6 5.281 -21.695 3.708 29 2HB SER 6 1HB SER 6 5.163 -23.339 4.328 30 HG SER 6 HG SER 6 4.906 -22.565 6.349 31 H SER 7 H SER 7 7.852 -20.472 3.221 32 HA SER 7 HA SER 7 9.217 -18.964 5.234 33 1HB SER 7 2HB SER 7 9.597 -17.340 3.495 34 2HB SER 7 1HB SER 7 9.785 -18.942 2.787 35 HG SER 7 HG SER 7 8.130 -18.552 1.556 36 H GLU 8 H GLU 8 5.953 -19.186 4.207 37 HA GLU 8 HA GLU 8 4.081 -17.887 4.599 38 1HB GLU 8 2HB GLU 8 4.683 -18.900 6.835 39 2HB GLU 8 1HB GLU 8 5.468 -17.373 7.235 40 1HG GLU 8 2HG GLU 8 3.315 -16.194 6.769 41 2HG GLU 8 1HG GLU 8 2.549 -17.762 6.516 42 H ASN 9 H ASN 9 5.303 -15.773 6.906 43 HA ASN 9 HA ASN 9 5.625 -13.499 6.924 44 1HB ASN 9 2HB ASN 9 6.884 -14.039 4.224 45 2HB ASN 9 1HB ASN 9 7.108 -12.589 5.201 46 1HD2 ASN 9 1HD2 ASN 9 9.015 -14.904 4.354 47 2HD2 ASN 9 2HD2 ASN 9 9.746 -15.357 5.817 48 H SER 10 H SER 10 3.088 -14.296 6.143 49 HA SER 10 HA SER 10 2.345 -12.805 3.756 50 1HB SER 10 2HB SER 10 1.240 -14.956 4.313 51 2HB SER 10 1HB SER 10 0.600 -14.225 5.782 52 HG SER 10 HG SER 10 -0.615 -12.852 4.561 53 H SER 11 H SER 11 1.674 -10.756 3.734 54 HA SER 11 HA SER 11 0.054 -9.477 5.585 55 1HB SER 11 2HB SER 11 1.567 -9.467 7.333 56 2HB SER 11 1HB SER 11 2.964 -9.396 6.263 57 HG SER 11 HG SER 11 2.753 -7.277 6.111 58 H VAL 12 H VAL 12 1.363 -9.677 2.740 59 HA VAL 12 HA VAL 12 0.891 -6.856 2.107 60 HB VAL 12 HB VAL 12 3.325 -8.244 0.996 61 1HG1 VAL 12 1HG1 VAL 12 3.980 -5.981 0.418 62 2HG1 VAL 12 2HG1 VAL 12 2.617 -5.314 1.318 63 3HG1 VAL 12 3HG1 VAL 12 2.332 -6.242 -0.155 64 1HG2 VAL 12 1HG2 VAL 12 4.623 -6.907 2.674 65 2HG2 VAL 12 2HG2 VAL 12 3.639 -8.171 3.412 66 3HG2 VAL 12 3HG2 VAL 12 3.100 -6.492 3.464 67 H THR 13 H THR 13 -0.153 -6.591 0.205 68 HA THR 13 HA THR 13 -0.322 -8.918 -1.611 69 HB THR 13 HB THR 13 -2.640 -7.064 -1.080 70 HG1 THR 13 1HG THR 13 -3.339 -8.998 0.180 71 1HG2 THR 13 1HG2 THR 13 -2.520 -9.906 -2.117 72 2HG2 THR 13 2HG2 THR 13 -2.557 -8.482 -3.157 73 3HG2 THR 13 3HG2 THR 13 -3.924 -8.838 -2.101 74 H TYR 14 H TYR 14 -0.175 -8.482 -3.753 75 HA TYR 14 HA TYR 14 0.071 -5.636 -4.526 76 1HB TYR 14 2HB TYR 14 1.431 -8.010 -5.820 77 2HB TYR 14 1HB TYR 14 1.687 -6.306 -6.198 78 HD1 TYR 14 1HD TYR 14 2.661 -4.777 -4.435 79 HD2 TYR 14 2HD TYR 14 2.553 -9.049 -3.993 80 HE1 TYR 14 1HE TYR 14 4.380 -4.636 -2.654 81 HE2 TYR 14 2HE TYR 14 4.272 -8.908 -2.211 82 HH TYR 14 HH TYR 14 6.170 -7.164 -1.625 83 H VAL 15 H VAL 15 -0.464 -5.202 -6.826 84 HA VAL 15 HA VAL 15 -2.322 -7.096 -8.057 85 HB VAL 15 HB VAL 15 -4.028 -6.008 -6.984 86 1HG1 VAL 15 1HG1 VAL 15 -2.245 -3.554 -6.961 87 2HG1 VAL 15 2HG1 VAL 15 -2.615 -4.603 -5.592 88 3HG1 VAL 15 3HG1 VAL 15 -3.880 -3.599 -6.301 89 1HG2 VAL 15 1HG2 VAL 15 -5.044 -4.437 -8.467 90 2HG2 VAL 15 2HG2 VAL 15 -4.062 -5.480 -9.496 91 3HG2 VAL 15 3HG2 VAL 15 -3.481 -3.873 -9.058 92 H ASN 16 H ASN 16 -1.040 -3.771 -8.245 93 HA ASN 16 HA ASN 16 -1.163 -3.790 -11.139 94 1HB ASN 16 2HB ASN 16 0.065 -1.775 -9.243 95 2HB ASN 16 1HB ASN 16 -0.219 -1.534 -10.966 96 1HD2 ASN 16 1HD2 ASN 16 -1.486 -0.512 -8.185 97 2HD2 ASN 16 2HD2 ASN 16 -3.142 -0.506 -8.561 98 H GLY 17 H GLY 17 0.817 -5.331 -9.104 99 1HA GLY 17 2HA GLY 17 2.679 -6.491 -10.337 100 2HA GLY 17 1HA GLY 17 3.228 -4.871 -10.760 101 H ARG 18 H ARG 18 4.743 -6.853 -9.338 102 HA ARG 18 HA ARG 18 4.774 -6.028 -6.547 103 1HB ARG 18 2HB ARG 18 6.338 -8.024 -8.174 104 2HB ARG 18 1HB ARG 18 6.818 -7.597 -6.531 105 1HG ARG 18 2HG ARG 18 5.325 -9.604 -6.620 106 2HG ARG 18 1HG ARG 18 4.646 -8.282 -5.670 107 1HD ARG 18 2HD ARG 18 3.071 -9.430 -7.345 108 2HD ARG 18 1HD ARG 18 3.137 -7.671 -7.390 109 HE ARG 18 HE ARG 18 4.993 -8.330 -9.226 110 1HH1 ARG 18 1HH2 ARG 18 1.782 -9.468 -8.621 111 2HH1 ARG 18 2HH2 ARG 18 1.454 -9.842 -10.280 112 1HH2 ARG 18 1HH1 ARG 18 4.571 -8.819 -11.403 113 2HH2 ARG 18 2HH1 ARG 18 3.033 -9.475 -11.855 114 HA PRO 19 HA PRO 19 7.657 -2.734 -6.754 115 1HB PRO 19 2HB PRO 19 9.119 -4.152 -4.573 116 2HB PRO 19 1HB PRO 19 8.512 -2.486 -4.628 117 1HG PRO 19 2HG PRO 19 7.278 -4.361 -3.203 118 2HG PRO 19 1HG PRO 19 6.376 -3.101 -4.058 119 1HD PRO 19 2HD PRO 19 6.661 -5.994 -4.733 120 2HD PRO 19 1HD PRO 19 5.303 -4.890 -5.042 121 H THR 20 H THR 20 9.689 -2.236 -7.604 122 HA THR 20 HA THR 20 11.062 -4.375 -8.977 123 HB THR 20 HB THR 20 11.800 -1.446 -8.763 124 HG1 THR 20 1HG THR 20 10.654 -1.258 -10.682 125 1HG2 THR 20 1HG2 THR 20 13.667 -2.722 -9.559 126 2HG2 THR 20 2HG2 THR 20 12.913 -1.996 -10.979 127 3HG2 THR 20 3HG2 THR 20 12.634 -3.697 -10.604 128 H PHE 21 H PHE 21 11.376 -2.738 -5.974 129 HA PHE 21 HA PHE 21 14.105 -3.822 -5.623 130 1HB PHE 21 2HB PHE 21 13.944 -1.366 -5.393 131 2HB PHE 21 1HB PHE 21 12.748 -1.575 -4.114 132 HD1 PHE 21 1HD PHE 21 13.404 -2.033 -1.883 133 HD2 PHE 21 2HD PHE 21 16.263 -2.370 -5.070 134 HE1 PHE 21 1HE PHE 21 15.223 -2.311 -0.221 135 HE2 PHE 21 2HE PHE 21 18.083 -2.647 -3.409 136 HZ PHE 21 HZ PHE 21 17.563 -2.618 -0.983 137 H VAL 22 H VAL 22 14.533 -5.154 -3.912 138 HA VAL 22 HA VAL 22 12.265 -5.830 -2.138 139 HB VAL 22 HB VAL 22 14.220 -7.965 -2.775 140 1HG1 VAL 22 1HG1 VAL 22 12.250 -8.251 -1.275 141 2HG1 VAL 22 2HG1 VAL 22 12.191 -9.327 -2.670 142 3HG1 VAL 22 3HG1 VAL 22 11.190 -7.875 -2.633 143 1HG2 VAL 22 1HG2 VAL 22 13.949 -7.100 -5.005 144 2HG2 VAL 22 2HG2 VAL 22 12.216 -6.873 -4.769 145 3HG2 VAL 22 3HG2 VAL 22 12.886 -8.501 -4.870 146 H GLY 23 H GLY 23 12.715 -5.767 -0.024 147 1HA GLY 23 2HA GLY 23 15.562 -5.628 0.781 148 2HA GLY 23 1HA GLY 23 14.271 -4.740 1.586 149 H GLU 24 H GLU 24 13.646 -5.592 3.457 150 HA GLU 24 HA GLU 24 13.552 -8.524 3.732 151 1HB GLU 24 2HB GLU 24 14.762 -6.628 5.760 152 2HB GLU 24 1HB GLU 24 14.540 -8.364 5.977 153 1HG GLU 24 2HG GLU 24 16.196 -7.101 3.774 154 2HG GLU 24 1HG GLU 24 16.857 -7.783 5.260 155 H GLU 25 H GLU 25 12.925 -5.589 5.674 156 HA GLU 25 HA GLU 25 10.426 -6.776 6.624 157 1HB GLU 25 2HB GLU 25 12.021 -5.641 8.196 158 2HB GLU 25 1HB GLU 25 11.664 -4.121 7.377 159 1HG GLU 25 2HG GLU 25 10.222 -4.266 9.309 160 2HG GLU 25 1HG GLU 25 9.227 -4.510 7.874 161 H VAL 26 H VAL 26 8.478 -6.238 5.860 162 HA VAL 26 HA VAL 26 8.285 -3.871 4.096 163 HB VAL 26 HB VAL 26 6.497 -6.292 3.931 164 1HG1 VAL 26 1HG1 VAL 26 6.179 -5.422 1.622 165 2HG1 VAL 26 2HG1 VAL 26 7.245 -4.070 2.006 166 3HG1 VAL 26 3HG1 VAL 26 5.703 -4.244 2.845 167 1HG2 VAL 26 1HG2 VAL 26 9.167 -5.769 2.597 168 2HG2 VAL 26 2HG2 VAL 26 7.993 -6.925 1.969 169 3HG2 VAL 26 3HG2 VAL 26 8.704 -7.169 3.563 170 H THR 27 H THR 27 6.788 -2.374 4.575 171 HA THR 27 HA THR 27 4.619 -3.056 6.441 172 HB THR 27 HB THR 27 5.943 -0.436 6.877 173 HG1 THR 27 1HG THR 27 7.170 -2.094 8.460 174 1HG2 THR 27 1HG2 THR 27 5.174 -0.758 9.088 175 2HG2 THR 27 2HG2 THR 27 5.068 -2.507 8.886 176 3HG2 THR 27 3HG2 THR 27 3.902 -1.455 8.084 177 H LYS 28 H LYS 28 2.717 -2.147 5.900 178 HA LYS 28 HA LYS 28 2.675 -0.394 3.553 179 1HB LYS 28 2HB LYS 28 0.146 -0.824 3.777 180 2HB LYS 28 1HB LYS 28 1.164 -2.189 3.314 181 1HG LYS 28 2HG LYS 28 1.157 -3.057 5.560 182 2HG LYS 28 1HG LYS 28 0.380 -1.599 6.179 183 1HD LYS 28 2HD LYS 28 -1.297 -3.351 5.952 184 2HD LYS 28 1HD LYS 28 -1.605 -2.104 4.744 185 1HE LYS 28 2HE LYS 28 -0.769 -3.427 2.985 186 2HE LYS 28 1HE LYS 28 0.106 -4.495 4.084 187 1HZ LYS 28 1HZ LYS 28 -2.853 -4.279 3.977 188 2HZ LYS 28 2HZ LYS 28 -1.939 -5.407 4.861 189 3HZ LYS 28 3HZ LYS 28 -1.958 -5.469 3.163 190 H GLY 29 H GLY 29 2.140 1.708 3.622 191 1HA GLY 29 2HA GLY 29 2.046 3.121 6.072 192 2HA GLY 29 1HA GLY 29 1.661 3.786 4.487 193 H PHE 30 H PHE 30 -0.527 3.067 3.600 194 HA PHE 30 HA PHE 30 -2.526 3.536 5.670 195 1HB PHE 30 2HB PHE 30 -2.682 3.398 2.654 196 2HB PHE 30 1HB PHE 30 -4.084 3.657 3.693 197 HD1 PHE 30 1HD PHE 30 -1.584 5.284 1.840 198 HD2 PHE 30 2HD PHE 30 -3.705 5.541 5.567 199 HE1 PHE 30 1HE PHE 30 -1.032 7.697 1.987 200 HE2 PHE 30 2HE PHE 30 -3.153 7.955 5.714 201 HZ PHE 30 HZ PHE 30 -1.817 9.033 3.925 202 H GLU 31 H GLU 31 -3.872 2.041 6.475 203 HA GLU 31 HA GLU 31 -3.492 -0.732 5.715 204 1HB GLU 31 2HB GLU 31 -5.310 0.534 7.780 205 2HB GLU 31 1HB GLU 31 -5.026 -1.197 7.592 206 1HG GLU 31 2HG GLU 31 -2.602 -0.818 7.990 207 2HG GLU 31 1HG GLU 31 -2.933 0.893 8.256 208 H LYS 32 H LYS 32 -5.187 1.642 4.321 209 HA LYS 32 HA LYS 32 -7.679 0.168 3.905 210 1HB LYS 32 2HB LYS 32 -7.484 2.726 4.236 211 2HB LYS 32 1HB LYS 32 -6.932 2.756 2.561 212 1HG LYS 32 2HG LYS 32 -9.031 1.358 2.031 213 2HG LYS 32 1HG LYS 32 -9.598 1.829 3.633 214 1HD LYS 32 2HD LYS 32 -8.731 3.775 1.475 215 2HD LYS 32 1HD LYS 32 -10.407 3.367 1.841 216 1HE LYS 32 2HE LYS 32 -8.406 4.760 3.630 217 2HE LYS 32 1HE LYS 32 -9.953 5.377 3.050 218 1HZ LYS 32 1HZ LYS 32 -9.438 3.302 5.083 219 2HZ LYS 32 2HZ LYS 32 -10.929 3.372 4.272 220 3HZ LYS 32 3HZ LYS 32 -10.402 4.692 5.203 221 H ASP 33 H ASP 33 -8.432 -0.393 1.797 222 HA ASP 33 HA ASP 33 -8.224 -1.313 -0.297 223 1HB ASP 33 2HB ASP 33 -7.373 1.072 -0.721 224 2HB ASP 33 1HB ASP 33 -5.754 0.376 -0.664 225 H ASN 34 H ASN 34 -5.444 -1.455 -1.563 226 HA ASN 34 HA ASN 34 -4.733 -4.013 -0.329 227 1HB ASN 34 2HB ASN 34 -3.473 -4.441 -2.328 228 2HB ASN 34 1HB ASN 34 -5.030 -3.777 -2.817 229 1HD2 ASN 34 1HD2 ASN 34 -2.250 -3.646 -4.135 230 2HD2 ASN 34 2HD2 ASN 34 -2.013 -1.989 -4.418 231 H GLY 35 H GLY 35 -4.045 -1.086 0.565 232 1HA GLY 35 2HA GLY 35 -2.281 -0.656 2.144 233 2HA GLY 35 1HA GLY 35 -1.231 -1.708 1.198 234 H LEU 36 H LEU 36 -2.445 -0.354 -1.280 235 HA LEU 36 HA LEU 36 -1.857 1.334 -2.720 236 1HB LEU 36 2HB LEU 36 -1.386 3.016 -0.256 237 2HB LEU 36 1HB LEU 36 -1.842 3.562 -1.870 238 HG LEU 36 HG LEU 36 -3.539 1.898 0.012 239 1HD1 LEU 36 1HD1 LEU 36 -3.339 4.365 0.480 240 2HD1 LEU 36 2HD1 LEU 36 -4.977 3.845 0.083 241 3HD1 LEU 36 3HD1 LEU 36 -3.995 4.669 -1.128 242 1HD2 LEU 36 1HD2 LEU 36 -3.861 2.697 -2.880 243 2HD2 LEU 36 2HD2 LEU 36 -5.267 2.381 -1.865 244 3HD2 LEU 36 3HD2 LEU 36 -4.081 1.107 -2.149 245 H LEU 37 H LEU 37 0.216 2.278 0.006 246 HA LEU 37 HA LEU 37 2.556 1.839 -1.747 247 1HB LEU 37 2HB LEU 37 2.120 4.208 -1.111 248 2HB LEU 37 1HB LEU 37 2.306 3.754 0.583 249 HG LEU 37 HG LEU 37 4.590 2.758 -0.173 250 1HD1 LEU 37 1HD1 LEU 37 5.470 3.405 -2.206 251 2HD1 LEU 37 2HD1 LEU 37 4.514 4.885 -2.268 252 3HD1 LEU 37 3HD1 LEU 37 3.764 3.334 -2.649 253 1HD2 LEU 37 1HD2 LEU 37 5.612 5.105 -0.036 254 2HD2 LEU 37 2HD2 LEU 37 4.555 4.641 1.298 255 3HD2 LEU 37 3HD2 LEU 37 3.956 5.711 0.030 256 H PHE 38 H PHE 38 4.090 0.455 -1.102 257 HA PHE 38 HA PHE 38 3.866 -0.673 1.620 258 1HB PHE 38 2HB PHE 38 5.259 -1.900 -0.767 259 2HB PHE 38 1HB PHE 38 4.858 -2.683 0.762 260 HD1 PHE 38 1HD PHE 38 2.423 -2.983 1.394 261 HD2 PHE 38 2HD PHE 38 3.669 -1.759 -2.530 262 HE1 PHE 38 1HE PHE 38 0.200 -3.614 0.492 263 HE2 PHE 38 2HE PHE 38 1.447 -2.391 -3.433 264 HZ PHE 38 HZ PHE 38 -0.287 -3.318 -1.922 265 H ARG 39 H ARG 39 5.431 -0.228 3.027 266 HA ARG 39 HA ARG 39 7.774 1.248 2.181 267 1HB ARG 39 2HB ARG 39 6.534 1.771 4.286 268 2HB ARG 39 1HB ARG 39 7.067 0.219 4.937 269 1HG ARG 39 2HG ARG 39 9.417 0.890 4.649 270 2HG ARG 39 1HG ARG 39 8.900 2.437 3.978 271 1HD ARG 39 2HD ARG 39 8.313 1.424 6.773 272 2HD ARG 39 1HD ARG 39 9.459 2.693 6.351 273 HE ARG 39 HE ARG 39 6.913 3.376 5.331 274 1HH1 ARG 39 1HH2 ARG 39 8.638 2.986 8.305 275 2HH1 ARG 39 2HH2 ARG 39 7.700 4.161 9.163 276 1HH2 ARG 39 1HH1 ARG 39 5.677 4.918 6.450 277 2HH2 ARG 39 2HH1 ARG 39 6.023 5.256 8.113 278 H ILE 40 H ILE 40 9.451 0.196 1.333 279 HA ILE 40 HA ILE 40 10.058 -2.533 2.250 280 HB ILE 40 HB ILE 40 11.203 -1.001 -0.097 281 1HG1 ILE 40 2HG1 ILE 40 9.083 -3.171 -0.091 282 2HG1 ILE 40 1HG1 ILE 40 8.715 -1.450 -0.205 283 1HG2 ILE 40 1HG2 ILE 40 11.346 -3.888 0.809 284 2HG2 ILE 40 2HG2 ILE 40 12.688 -2.766 0.579 285 3HG2 ILE 40 3HG2 ILE 40 11.790 -3.365 -0.816 286 1HD1 ILE 40 1HD1 ILE 40 10.692 -2.700 -2.097 287 2HD1 ILE 40 2HD1 ILE 40 9.727 -1.240 -2.311 288 3HD1 ILE 40 3HD1 ILE 40 8.961 -2.826 -2.411 289 H VAL 41 H VAL 41 11.784 -2.965 3.483 290 HA VAL 41 HA VAL 41 13.890 -0.910 3.734 291 HB VAL 41 HB VAL 41 12.673 -2.457 6.035 292 1HG1 VAL 41 1HG1 VAL 41 14.950 -2.003 6.546 293 2HG1 VAL 41 2HG1 VAL 41 14.047 -0.698 7.317 294 3HG1 VAL 41 3HG1 VAL 41 14.884 -0.411 5.790 295 1HG2 VAL 41 1HG2 VAL 41 11.208 -0.658 5.031 296 2HG2 VAL 41 2HG2 VAL 41 12.484 0.503 5.400 297 3HG2 VAL 41 3HG2 VAL 41 11.670 -0.360 6.706 298 H ASN 42 H ASN 42 15.868 -1.708 3.443 299 HA ASN 42 HA ASN 42 16.229 -4.636 3.568 300 1HB ASN 42 2HB ASN 42 16.721 -3.262 1.431 301 2HB ASN 42 1HB ASN 42 18.154 -2.705 2.294 302 1HD2 ASN 42 1HD2 ASN 42 16.653 -5.963 2.449 303 2HD2 ASN 42 2HD2 ASN 42 18.011 -6.781 1.842 304 H LYS 43 H LYS 43 16.871 -5.141 5.589 305 HA LYS 43 HA LYS 43 18.286 -3.512 7.365 306 1HB LYS 43 2HB LYS 43 18.182 -6.532 7.185 307 2HB LYS 43 1HB LYS 43 18.816 -5.632 8.563 308 1HG LYS 43 2HG LYS 43 16.604 -4.482 8.772 309 2HG LYS 43 1HG LYS 43 15.984 -5.518 7.484 310 1HD LYS 43 2HD LYS 43 16.591 -7.515 8.858 311 2HD LYS 43 1HD LYS 43 17.067 -6.430 10.166 312 1HE LYS 43 2HE LYS 43 14.837 -5.605 10.419 313 2HE LYS 43 1HE LYS 43 14.314 -6.360 8.913 314 1HZ LYS 43 1HZ LYS 43 15.461 -8.228 10.758 315 2HZ LYS 43 2HZ LYS 43 13.979 -8.293 9.928 316 3HZ LYS 43 3HZ LYS 43 14.098 -7.445 11.395 317 H LYS 44 H LYS 44 19.408 -5.588 4.780 318 HA LYS 44 HA LYS 44 22.097 -5.878 5.509 319 1HB LYS 44 2HB LYS 44 20.929 -7.050 3.612 320 2HB LYS 44 1HB LYS 44 21.054 -5.552 2.689 321 1HG LYS 44 2HG LYS 44 23.479 -5.599 2.839 322 2HG LYS 44 1HG LYS 44 23.422 -7.002 3.906 323 1HD LYS 44 2HD LYS 44 23.851 -7.975 1.817 324 2HD LYS 44 1HD LYS 44 22.099 -8.124 1.954 325 1HE LYS 44 2HE LYS 44 22.768 -7.252 -0.269 326 2HE LYS 44 1HE LYS 44 21.802 -6.079 0.627 327 1HZ LYS 44 1HZ LYS 44 24.739 -6.038 0.831 328 2HZ LYS 44 2HZ LYS 44 23.629 -4.774 1.068 329 3HZ LYS 44 3HZ LYS 44 23.975 -5.321 -0.502 330 H LYS 45 H LYS 45 20.688 -3.480 3.263 331 HA LYS 45 HA LYS 45 23.094 -1.824 3.604 332 1HB LYS 45 2HB LYS 45 20.824 -1.666 1.608 333 2HB LYS 45 1HB LYS 45 22.202 -0.566 1.653 334 1HG LYS 45 2HG LYS 45 23.722 -2.539 1.397 335 2HG LYS 45 1HG LYS 45 22.298 -3.563 1.205 336 1HD LYS 45 2HD LYS 45 21.598 -2.154 -0.735 337 2HD LYS 45 1HD LYS 45 23.102 -1.246 -0.578 338 1HE LYS 45 2HE LYS 45 24.309 -3.496 -0.772 339 2HE LYS 45 1HE LYS 45 22.760 -4.164 -1.289 340 1HZ LYS 45 1HZ LYS 45 24.565 -3.009 -2.920 341 2HZ LYS 45 2HZ LYS 45 23.493 -1.723 -2.629 342 3HZ LYS 45 3HZ LYS 45 22.915 -3.184 -3.273 343 H LYS 46 H LYS 46 20.094 -2.155 4.961 344 HA LYS 46 HA LYS 46 18.729 -0.798 6.217 345 1HB LYS 46 2HB LYS 46 21.478 0.247 6.571 346 2HB LYS 46 1HB LYS 46 20.172 1.326 7.062 347 1HG LYS 46 2HG LYS 46 20.142 -1.564 7.902 348 2HG LYS 46 1HG LYS 46 21.102 -0.388 8.801 349 1HD LYS 46 2HD LYS 46 19.259 0.682 9.635 350 2HD LYS 46 1HD LYS 46 18.315 0.418 8.168 351 1HE LYS 46 2HE LYS 46 17.679 -0.885 10.357 352 2HE LYS 46 1HE LYS 46 17.670 -1.733 8.811 353 1HZ LYS 46 1HZ LYS 46 19.293 -2.188 11.093 354 2HZ LYS 46 2HZ LYS 46 20.260 -1.883 9.729 355 3HZ LYS 46 3HZ LYS 46 19.115 -3.137 9.698 356 H GLN 47 H GLN 47 18.957 -0.304 3.298 357 HA GLN 47 HA GLN 47 18.440 2.588 3.150 358 1HB GLN 47 2HB GLN 47 18.596 2.319 0.737 359 2HB GLN 47 1HB GLN 47 20.000 1.572 1.500 360 1HG GLN 47 2HG GLN 47 18.639 -0.615 1.456 361 2HG GLN 47 1HG GLN 47 17.570 0.217 0.327 362 1HE2 GLN 47 1HE2 GLN 47 20.504 1.606 -0.250 363 2HE2 GLN 47 2HE2 GLN 47 21.078 0.576 -1.472 364 H TRP 48 H TRP 48 16.432 3.362 3.027 365 HA TRP 48 HA TRP 48 14.193 1.506 2.952 366 1HB TRP 48 2HB TRP 48 14.404 4.488 3.381 367 2HB TRP 48 1HB TRP 48 12.860 3.642 3.285 368 HD1 TRP 48 HD TRP 48 15.546 1.586 4.830 369 HE1 TRP 48 1HE TRP 48 15.213 1.461 7.384 370 HE3 TRP 48 3HE TRP 48 11.985 5.197 5.434 371 HZ2 TRP 48 2HZ TRP 48 13.643 2.725 9.414 372 HZ3 TRP 48 3HZ TRP 48 11.089 5.715 7.686 373 HH2 TRP 48 HH TRP 48 11.912 4.485 9.675 374 H ALA 49 H ALA 49 12.551 1.506 1.413 375 HA ALA 49 HA ALA 49 12.875 3.180 -0.973 376 1HB ALA 49 1HB ALA 49 12.481 1.028 -2.354 377 2HB ALA 49 2HB ALA 49 13.045 0.174 -0.919 378 3HB ALA 49 3HB ALA 49 14.104 1.325 -1.732 379 H TYR 50 H TYR 50 10.966 3.480 -2.137 380 HA TYR 50 HA TYR 50 8.540 2.305 -0.920 381 1HB TYR 50 2HB TYR 50 9.065 5.133 -1.826 382 2HB TYR 50 1HB TYR 50 7.432 4.500 -1.608 383 HD1 TYR 50 1HD TYR 50 10.209 6.026 0.013 384 HD2 TYR 50 2HD TYR 50 6.949 3.309 0.674 385 HE1 TYR 50 1HE TYR 50 10.382 6.413 2.457 386 HE2 TYR 50 2HE TYR 50 7.122 3.696 3.118 387 HH TYR 50 HH TYR 50 8.072 5.764 4.586 388 H TYR 51 H TYR 51 7.004 1.533 -2.282 389 HA TYR 51 HA TYR 51 7.455 1.892 -5.184 390 1HB TYR 51 2HB TYR 51 8.133 -0.347 -4.687 391 2HB TYR 51 1HB TYR 51 6.721 -0.615 -3.664 392 HD1 TYR 51 1HD TYR 51 4.766 -1.535 -4.576 393 HD2 TYR 51 2HD TYR 51 7.679 0.247 -7.181 394 HE1 TYR 51 1HE TYR 51 3.482 -2.319 -6.548 395 HE2 TYR 51 2HE TYR 51 6.396 -0.537 -9.153 396 HH TYR 51 HH TYR 51 4.768 -2.238 -9.727 397 H ASN 52 H ASN 52 5.756 2.680 -6.253 398 HA ASN 52 HA ASN 52 3.194 2.896 -4.838 399 1HB ASN 52 2HB ASN 52 4.068 4.968 -5.741 400 2HB ASN 52 1HB ASN 52 4.235 4.242 -7.339 401 1HD2 ASN 52 1HD2 ASN 52 2.704 6.365 -7.583 402 2HD2 ASN 52 2HD2 ASN 52 1.043 6.017 -7.561 403 H ASP 53 H ASP 53 1.432 1.775 -5.407 404 HA ASP 53 HA ASP 53 1.622 0.018 -7.764 405 1HB ASP 53 2HB ASP 53 -0.160 -1.284 -6.708 406 2HB ASP 53 1HB ASP 53 1.185 -1.068 -5.590 407 H THR 54 H THR 54 -0.363 2.496 -6.241 408 HA THR 54 HA THR 54 -2.611 2.375 -7.912 409 HB THR 54 HB THR 54 -2.806 4.862 -7.320 410 HG1 THR 54 1HG THR 54 -0.954 5.633 -6.703 411 1HG2 THR 54 1HG2 THR 54 -3.222 4.315 -4.900 412 2HG2 THR 54 2HG2 THR 54 -2.482 2.740 -5.183 413 3HG2 THR 54 3HG2 THR 54 -3.967 3.181 -6.027 414 H THR 55 H THR 55 -2.817 2.715 -10.023 415 HA THR 55 HA THR 55 -0.669 4.107 -11.462 416 HB THR 55 HB THR 55 -1.771 3.156 -13.488 417 HG1 THR 55 1HG THR 55 -3.335 1.673 -11.670 418 1HG2 THR 55 1HG2 THR 55 -1.002 0.916 -13.120 419 2HG2 THR 55 2HG2 THR 55 -1.272 1.044 -11.381 420 3HG2 THR 55 3HG2 THR 55 0.024 1.967 -12.143 421 H GLN 56 H GLN 56 -3.081 5.249 -9.855 422 HA GLN 56 HA GLN 56 -3.900 7.158 -11.959 423 1HB GLN 56 2HB GLN 56 -6.022 7.305 -10.351 424 2HB GLN 56 1HB GLN 56 -5.930 6.126 -11.660 425 1HG GLN 56 2HG GLN 56 -4.896 5.483 -8.900 426 2HG GLN 56 1HG GLN 56 -6.593 5.255 -9.318 427 1HE2 GLN 56 1HE2 GLN 56 -6.429 4.294 -11.944 428 2HE2 GLN 56 2HE2 GLN 56 -5.585 2.821 -11.960 429 H TYR 57 H TYR 57 -2.589 6.611 -8.862 430 HA TYR 57 HA TYR 57 -2.541 9.519 -8.372 431 1HB TYR 57 2HB TYR 57 -2.773 7.653 -6.046 432 2HB TYR 57 1HB TYR 57 -3.258 9.343 -6.180 433 HD1 TYR 57 1HD TYR 57 -5.094 9.776 -8.104 434 HD2 TYR 57 2HD TYR 57 -4.469 6.058 -6.044 435 HE1 TYR 57 1HE TYR 57 -7.402 9.071 -8.676 436 HE2 TYR 57 2HE TYR 57 -6.777 5.353 -6.615 437 HH TYR 57 HH TYR 57 -8.527 5.820 -8.095 438 H GLU 58 H GLU 58 -0.669 10.296 -7.425 439 HA GLU 58 HA GLU 58 1.612 8.461 -7.474 440 1HB GLU 58 2HB GLU 58 2.744 10.829 -6.941 441 2HB GLU 58 1HB GLU 58 2.307 10.344 -8.580 442 1HG GLU 58 2HG GLU 58 0.177 11.522 -8.402 443 2HG GLU 58 1HG GLU 58 0.515 11.934 -6.721 444 H MET 59 H MET 59 2.969 8.118 -5.719 445 HA MET 59 HA MET 59 1.712 8.568 -3.112 446 1HB MET 59 2HB MET 59 3.807 6.708 -4.169 447 2HB MET 59 1HB MET 59 3.763 7.059 -2.440 448 1HG MET 59 2HG MET 59 2.375 5.045 -3.273 449 2HG MET 59 1HG MET 59 1.572 6.195 -2.203 450 1HE MET 59 1HE MET 59 -0.444 4.512 -3.564 451 2HE MET 59 2HE MET 59 -1.529 5.762 -4.171 452 3HE MET 59 3HE MET 59 -0.721 5.983 -2.622 453 H HIS 60 H HIS 60 2.326 10.190 -1.847 454 HA HIS 60 HA HIS 60 4.982 11.407 -2.289 455 1HB HIS 60 2HB HIS 60 2.476 12.567 -1.044 456 2HB HIS 60 1HB HIS 60 4.023 13.405 -1.170 457 HD1 HIS 60 1HD HIS 60 4.426 14.666 -3.295 458 HD2 HIS 60 2HD HIS 60 1.426 11.805 -3.742 459 HE1 HIS 60 1HE HIS 60 3.483 14.975 -5.625 460 HE2 HIS 60 2HE HIS 60 1.653 13.238 -5.912 461 H VAL 61 H VAL 61 6.472 10.879 -0.829 462 HA VAL 61 HA VAL 61 5.605 9.932 1.816 463 HB VAL 61 HB VAL 61 8.247 9.708 0.359 464 1HG1 VAL 61 1HG1 VAL 61 8.766 8.142 2.310 465 2HG1 VAL 61 2HG1 VAL 61 7.388 8.867 3.137 466 3HG1 VAL 61 3HG1 VAL 61 8.772 9.865 2.687 467 1HG2 VAL 61 1HG2 VAL 61 6.195 7.628 1.184 468 2HG2 VAL 61 2HG2 VAL 61 7.685 7.322 0.293 469 3HG2 VAL 61 3HG2 VAL 61 6.390 8.257 -0.452 470 H LEU 62 H LEU 62 6.034 11.013 3.648 471 HA LEU 62 HA LEU 62 8.020 13.174 3.630 472 1HB LEU 62 2HB LEU 62 5.838 14.228 3.109 473 2HB LEU 62 1HB LEU 62 5.174 13.549 4.596 474 HG LEU 62 HG LEU 62 7.061 14.734 5.833 475 1HD1 LEU 62 1HD1 LEU 62 7.823 16.811 4.429 476 2HD1 LEU 62 2HD1 LEU 62 7.422 15.799 3.042 477 3HD1 LEU 62 3HD1 LEU 62 8.648 15.270 4.194 478 1HD2 LEU 62 1HD2 LEU 62 4.919 16.248 4.323 479 2HD2 LEU 62 2HD2 LEU 62 5.923 17.014 5.553 480 3HD2 LEU 62 3HD2 LEU 62 4.868 15.671 5.989 481 H VAL 63 H VAL 63 9.308 11.917 4.988 482 HA VAL 63 HA VAL 63 8.160 11.275 7.635 483 HB VAL 63 HB VAL 63 10.602 10.101 6.285 484 1HG1 VAL 63 1HG1 VAL 63 9.145 9.402 8.852 485 2HG1 VAL 63 2HG1 VAL 63 10.765 10.084 8.728 486 3HG1 VAL 63 3HG1 VAL 63 10.450 8.450 8.143 487 1HG2 VAL 63 1HG2 VAL 63 7.991 8.700 6.864 488 2HG2 VAL 63 2HG2 VAL 63 9.277 8.214 5.760 489 3HG2 VAL 63 3HG2 VAL 63 8.235 9.578 5.354 490 H THR 64 H THR 64 9.006 12.176 9.426 491 HA THR 64 HA THR 64 11.370 13.922 9.084 492 HB THR 64 HB THR 64 9.074 14.151 11.047 493 HG1 THR 64 1HG THR 64 9.871 15.702 8.810 494 1HG2 THR 64 1HG2 THR 64 10.232 16.412 11.456 495 2HG2 THR 64 2HG2 THR 64 11.642 15.695 10.676 496 3HG2 THR 64 3HG2 THR 64 10.996 14.985 12.156 497 H PHE 65 H PHE 65 13.109 13.603 10.365 498 HA PHE 65 HA PHE 65 12.871 11.552 12.485 499 1HB PHE 65 2HB PHE 65 15.464 12.132 11.097 500 2HB PHE 65 1HB PHE 65 14.925 10.649 11.885 501 HD1 PHE 65 1HD PHE 65 13.609 9.010 10.716 502 HD2 PHE 65 2HD PHE 65 14.539 12.777 8.873 503 HE1 PHE 65 1HE PHE 65 12.795 8.145 8.538 504 HE2 PHE 65 2HE PHE 65 13.724 11.912 6.695 505 HZ PHE 65 HZ PHE 65 12.852 9.597 6.528 506 H ASN 66 H ASN 66 14.517 11.755 14.217 507 HA ASN 66 HA ASN 66 14.638 14.501 15.143 508 1HB ASN 66 2HB ASN 66 14.094 12.495 16.604 509 2HB ASN 66 1HB ASN 66 15.799 12.059 16.488 510 1HD2 ASN 66 1HD2 ASN 66 17.046 12.888 18.162 511 2HD2 ASN 66 2HD2 ASN 66 16.696 14.304 19.030 512 H GLU 67 H GLU 67 16.582 15.549 15.823 513 HA GLU 67 HA GLU 67 18.627 15.660 13.983 514 1HB GLU 67 2HB GLU 67 18.477 17.435 15.538 515 2HB GLU 67 1HB GLU 67 18.573 16.340 16.919 516 1HG GLU 67 2HG GLU 67 20.871 15.935 16.595 517 2HG GLU 67 1HG GLU 67 20.830 16.517 14.931 518 H ASP 68 H ASP 68 18.503 13.745 16.973 519 HA ASP 68 HA ASP 68 21.100 12.566 16.506 520 1HB ASP 68 2HB ASP 68 18.909 11.949 18.498 521 2HB ASP 68 1HB ASP 68 20.473 11.135 18.467 522 H CYS 69 H CYS 69 20.441 11.862 14.271 523 HA CYS 69 HA CYS 69 19.687 9.054 14.387 524 1HB CYS 69 2HB CYS 69 18.166 10.932 12.570 525 2HB CYS 69 1HB CYS 69 17.900 9.201 12.782 526 HG CYS 69 HG CYS 69 16.501 9.696 14.760 527 H ASP 70 H ASP 70 21.242 8.075 13.274 528 HA ASP 70 HA ASP 70 22.837 9.485 11.330 529 1HB ASP 70 2HB ASP 70 23.659 7.681 12.938 530 2HB ASP 70 1HB ASP 70 22.874 6.517 11.872 531 H ILE 71 H ILE 71 21.104 10.017 9.830 532 HA ILE 71 HA ILE 71 20.421 7.741 8.066 533 HB ILE 71 HB ILE 71 18.360 8.985 7.475 534 1HG1 ILE 71 2HG1 ILE 71 19.273 10.832 9.706 535 2HG1 ILE 71 1HG1 ILE 71 19.175 11.251 7.994 536 1HG2 ILE 71 1HG2 ILE 71 18.420 7.271 9.313 537 2HG2 ILE 71 2HG2 ILE 71 17.163 8.490 9.528 538 3HG2 ILE 71 3HG2 ILE 71 18.652 8.585 10.467 539 1HD1 ILE 71 1HD1 ILE 71 17.161 12.088 8.930 540 2HD1 ILE 71 2HD1 ILE 71 16.913 10.634 9.898 541 3HD1 ILE 71 3HD1 ILE 71 16.696 10.577 8.149 542 H LYS 72 H LYS 72 20.268 8.230 5.799 543 HA LYS 72 HA LYS 72 21.613 10.718 4.967 544 1HB LYS 72 2HB LYS 72 23.210 8.729 5.110 545 2HB LYS 72 1HB LYS 72 22.300 8.036 3.767 546 1HG LYS 72 2HG LYS 72 22.752 10.052 2.417 547 2HG LYS 72 1HG LYS 72 23.666 10.745 3.757 548 1HD LYS 72 2HD LYS 72 25.411 9.205 3.538 549 2HD LYS 72 1HD LYS 72 24.396 8.025 2.707 550 1HE LYS 72 2HE LYS 72 26.100 9.322 1.270 551 2HE LYS 72 1HE LYS 72 24.441 9.247 0.676 552 1HZ LYS 72 1HZ LYS 72 24.297 11.439 0.794 553 2HZ LYS 72 2HZ LYS 72 25.937 11.513 1.231 554 3HZ LYS 72 3HZ LYS 72 24.738 11.436 2.431 555 H ALA 73 H ALA 73 21.342 11.169 2.645 556 HA ALA 73 HA ALA 73 18.666 10.356 1.758 557 1HB ALA 73 1HB ALA 73 20.216 12.345 0.202 558 2HB ALA 73 2HB ALA 73 19.791 12.812 1.849 559 3HB ALA 73 3HB ALA 73 18.526 12.372 0.702 560 H LEU 74 H LEU 74 18.265 9.446 -0.254 561 HA LEU 74 HA LEU 74 20.638 8.281 -1.579 562 1HB LEU 74 2HB LEU 74 17.805 7.215 -1.499 563 2HB LEU 74 1HB LEU 74 19.192 6.432 -2.257 564 HG LEU 74 HG LEU 74 19.062 7.144 0.685 565 1HD1 LEU 74 1HD1 LEU 74 18.490 4.875 1.141 566 2HD1 LEU 74 2HD1 LEU 74 18.779 4.389 -0.530 567 3HD1 LEU 74 3HD1 LEU 74 17.381 5.388 -0.131 568 1HD2 LEU 74 1HD2 LEU 74 21.328 6.941 0.110 569 2HD2 LEU 74 2HD2 LEU 74 21.007 5.707 -1.108 570 3HD2 LEU 74 3HD2 LEU 74 20.921 5.298 0.605 571 H GLY 75 H GLY 75 17.578 7.886 -3.056 572 1HA GLY 75 2HA GLY 75 18.339 8.940 -5.524 573 2HA GLY 75 1HA GLY 75 16.673 8.674 -5.021 574 H LYS 76 H LYS 76 16.157 10.607 -6.244 575 HA LYS 76 HA LYS 76 17.204 13.149 -5.843 576 1HB LYS 76 2HB LYS 76 14.850 13.929 -6.481 577 2HB LYS 76 1HB LYS 76 15.670 12.869 -7.628 578 1HG LYS 76 2HG LYS 76 14.352 11.020 -7.063 579 2HG LYS 76 1HG LYS 76 13.917 11.688 -5.490 580 1HD LYS 76 2HD LYS 76 11.994 11.836 -6.989 581 2HD LYS 76 1HD LYS 76 12.596 13.459 -6.650 582 1HE LYS 76 2HE LYS 76 13.507 11.898 -9.069 583 2HE LYS 76 1HE LYS 76 12.069 12.917 -9.106 584 1HZ LYS 76 1HZ LYS 76 13.474 14.563 -9.571 585 2HZ LYS 76 2HZ LYS 76 14.840 13.662 -9.109 586 3HZ LYS 76 3HZ LYS 76 13.935 14.500 -7.939 587 H THR 77 H THR 77 15.775 11.197 -3.556 588 HA THR 77 HA THR 77 14.091 12.706 -2.020 589 HB THR 77 HB THR 77 16.372 11.007 -0.976 590 HG1 THR 77 1HG THR 77 14.327 9.589 -0.854 591 1HG2 THR 77 1HG2 THR 77 13.782 11.984 0.248 592 2HG2 THR 77 2HG2 THR 77 15.421 12.307 0.813 593 3HG2 THR 77 3HG2 THR 77 14.751 10.680 0.937 594 H LYS 78 H LYS 78 14.267 14.789 -1.491 595 HA LYS 78 HA LYS 78 16.840 16.060 -1.126 596 1HB LYS 78 2HB LYS 78 14.884 17.203 -2.193 597 2HB LYS 78 1HB LYS 78 14.079 17.191 -0.623 598 1HG LYS 78 2HG LYS 78 15.976 18.459 0.346 599 2HG LYS 78 1HG LYS 78 16.741 18.506 -1.242 600 1HD LYS 78 2HD LYS 78 14.691 19.656 -2.126 601 2HD LYS 78 1HD LYS 78 14.080 19.736 -0.473 602 1HE LYS 78 2HE LYS 78 15.149 21.831 -0.838 603 2HE LYS 78 1HE LYS 78 16.294 20.891 0.120 604 1HZ LYS 78 1HZ LYS 78 16.357 21.030 -2.842 605 2HZ LYS 78 2HZ LYS 78 17.534 20.363 -1.815 606 3HZ LYS 78 3HZ LYS 78 17.275 22.042 -1.838 607 H LEU 79 H LEU 79 17.929 16.095 0.723 608 HA LEU 79 HA LEU 79 16.435 15.698 3.246 609 1HB LEU 79 2HB LEU 79 17.967 13.861 2.802 610 2HB LEU 79 1HB LEU 79 19.297 14.994 2.552 611 HG LEU 79 HG LEU 79 19.093 15.769 4.877 612 1HD1 LEU 79 1HD1 LEU 79 16.726 13.920 4.809 613 2HD1 LEU 79 2HD1 LEU 79 16.851 15.544 5.486 614 3HD1 LEU 79 3HD1 LEU 79 17.579 14.178 6.331 615 1HD2 LEU 79 1HD2 LEU 79 19.659 13.530 5.993 616 2HD2 LEU 79 2HD2 LEU 79 20.634 13.966 4.589 617 3HD2 LEU 79 3HD2 LEU 79 19.334 12.785 4.428 618 H GLU 80 H GLU 80 16.540 17.242 4.762 619 HA GLU 80 HA GLU 80 18.756 19.125 4.837 620 1HB GLU 80 2HB GLU 80 17.205 21.094 4.757 621 2HB GLU 80 1HB GLU 80 17.348 20.236 3.222 622 1HG GLU 80 2HG GLU 80 15.270 18.981 3.758 623 2HG GLU 80 1HG GLU 80 15.114 19.911 5.246 624 H GLN 81 H GLN 81 18.818 20.356 6.785 625 HA GLN 81 HA GLN 81 17.178 19.170 8.937 626 1HB GLN 81 2HB GLN 81 19.654 18.854 9.077 627 2HB GLN 81 1HB GLN 81 19.831 20.607 9.179 628 1HG GLN 81 2HG GLN 81 18.470 20.655 11.213 629 2HG GLN 81 1HG GLN 81 18.205 18.916 11.099 630 1HE2 GLN 81 1HE2 GLN 81 19.367 19.724 13.441 631 2HE2 GLN 81 2HE2 GLN 81 21.026 19.364 13.456 632 H GLN 82 H GLN 82 16.338 20.527 10.576 633 HA GLN 82 HA GLN 82 15.921 23.310 9.684 634 1HB GLN 82 2HB GLN 82 14.257 22.048 11.821 635 2HB GLN 82 1HB GLN 82 13.805 23.241 10.603 636 1HG GLN 82 2HG GLN 82 14.312 20.288 10.156 637 2HG GLN 82 1HG GLN 82 12.772 21.134 10.006 638 1HE2 GLN 82 1HE2 GLN 82 15.073 19.809 8.092 639 2HE2 GLN 82 2HE2 GLN 82 15.002 20.861 6.761 640 H GLU 83 H GLU 83 15.558 24.879 11.530 641 HA GLU 83 HA GLU 83 17.880 25.008 13.135 642 1HB GLU 83 2HB GLU 83 15.266 26.499 13.466 643 2HB GLU 83 1HB GLU 83 16.815 26.951 14.178 644 1HG GLU 83 2HG GLU 83 16.305 26.695 11.201 645 2HG GLU 83 1HG GLU 83 16.306 28.219 12.087 646 H ASN 84 H ASN 84 14.587 23.924 13.788 647 HA ASN 84 HA ASN 84 14.750 23.704 16.584 648 1HB ASN 84 2HB ASN 84 12.951 21.954 16.289 649 2HB ASN 84 1HB ASN 84 12.610 23.508 15.529 650 1HD2 ASN 84 1HD2 ASN 84 14.524 20.611 14.515 651 2HD2 ASN 84 2HD2 ASN 84 13.776 20.478 12.997 652 H GLY 85 H GLY 85 16.083 21.751 14.042 653 1HA GLY 85 2HA GLY 85 17.925 20.285 14.418 654 2HA GLY 85 1HA GLY 85 17.358 20.041 16.067 655 H GLU 86 H GLU 86 15.918 19.701 12.815 656 HA GLU 86 HA GLU 86 15.385 16.867 13.398 657 1HB GLU 86 2HB GLU 86 13.310 18.886 12.516 658 2HB GLU 86 1HB GLU 86 13.069 17.140 12.491 659 1HG GLU 86 2HG GLU 86 13.517 17.052 14.925 660 2HG GLU 86 1HG GLU 86 13.715 18.804 14.943 661 H TRP 87 H TRP 87 15.276 15.550 11.580 662 HA TRP 87 HA TRP 87 16.288 16.789 9.108 663 1HB TRP 87 2HB TRP 87 16.367 13.972 10.183 664 2HB TRP 87 1HB TRP 87 16.755 14.346 8.503 665 HD1 TRP 87 HD TRP 87 18.183 14.390 11.948 666 HE1 TRP 87 1HE TRP 87 20.556 15.398 11.908 667 HE3 TRP 87 3HE TRP 87 18.268 16.256 7.194 668 HZ2 TRP 87 2HZ TRP 87 22.270 16.794 10.092 669 HZ3 TRP 87 3HZ TRP 87 20.287 17.406 6.332 670 HH2 TRP 87 HH TRP 87 22.286 17.678 7.773 671 H VAL 88 H VAL 88 15.189 16.683 7.211 672 HA VAL 88 HA VAL 88 12.607 15.240 7.218 673 HB VAL 88 HB VAL 88 13.209 17.990 6.109 674 1HG1 VAL 88 1HG1 VAL 88 11.771 16.930 4.525 675 2HG1 VAL 88 2HG1 VAL 88 10.711 17.893 5.556 676 3HG1 VAL 88 3HG1 VAL 88 10.829 16.149 5.796 677 1HG2 VAL 88 1HG2 VAL 88 11.350 16.973 8.283 678 2HG2 VAL 88 2HG2 VAL 88 11.374 18.632 7.685 679 3HG2 VAL 88 3HG2 VAL 88 12.784 17.974 8.514 680 H ALA 89 H ALA 89 12.180 14.017 5.464 681 HA ALA 89 HA ALA 89 13.835 14.366 3.052 682 1HB ALA 89 1HB ALA 89 13.344 11.709 4.419 683 2HB ALA 89 2HB ALA 89 14.874 12.587 4.424 684 3HB ALA 89 3HB ALA 89 14.223 11.956 2.910 685 H SER 90 H SER 90 12.263 14.984 1.668 686 HA SER 90 HA SER 90 9.828 13.311 1.523 687 1HB SER 90 2HB SER 90 8.644 15.213 0.689 688 2HB SER 90 1HB SER 90 9.547 15.764 2.098 689 HG SER 90 HG SER 90 10.876 16.866 0.831 690 H VAL 91 H VAL 91 9.150 12.544 -0.461 691 HA VAL 91 HA VAL 91 10.479 13.274 -2.914 692 HB VAL 91 HB VAL 91 12.081 11.672 -1.748 693 1HG1 VAL 91 1HG1 VAL 91 10.044 9.590 -2.557 694 2HG1 VAL 91 2HG1 VAL 91 10.115 10.237 -0.917 695 3HG1 VAL 91 3HG1 VAL 91 11.500 9.371 -1.584 696 1HG2 VAL 91 1HG2 VAL 91 10.902 10.751 -4.389 697 2HG2 VAL 91 2HG2 VAL 91 12.544 10.464 -3.816 698 3HG2 VAL 91 3HG2 VAL 91 12.022 12.100 -4.216 699 H VAL 92 H VAL 92 9.384 12.532 -4.737 700 HA VAL 92 HA VAL 92 6.782 11.255 -4.170 701 HB VAL 92 HB VAL 92 7.591 12.877 -6.593 702 1HG1 VAL 92 1HG1 VAL 92 4.895 11.953 -5.550 703 2HG1 VAL 92 2HG1 VAL 92 5.735 11.285 -6.949 704 3HG1 VAL 92 3HG1 VAL 92 5.156 12.951 -6.980 705 1HG2 VAL 92 1HG2 VAL 92 6.046 14.592 -5.476 706 2HG2 VAL 92 2HG2 VAL 92 7.632 14.381 -4.736 707 3HG2 VAL 92 3HG2 VAL 92 6.213 13.632 -4.006 708 H VAL 93 H VAL 93 6.249 9.360 -5.101 709 HA VAL 93 HA VAL 93 8.202 8.183 -6.986 710 HB VAL 93 HB VAL 93 6.381 6.718 -5.062 711 1HG1 VAL 93 1HG1 VAL 93 7.969 4.833 -5.632 712 2HG1 VAL 93 2HG1 VAL 93 8.637 5.864 -6.896 713 3HG1 VAL 93 3HG1 VAL 93 6.950 5.356 -6.972 714 1HG2 VAL 93 1HG2 VAL 93 8.169 8.101 -3.951 715 2HG2 VAL 93 2HG2 VAL 93 9.371 7.198 -4.873 716 3HG2 VAL 93 3HG2 VAL 93 8.357 6.366 -3.695 717 H TYR 94 H TYR 94 7.473 7.498 -8.917 718 HA TYR 94 HA TYR 94 4.653 7.921 -9.545 719 1HB TYR 94 2HB TYR 94 7.014 7.218 -11.306 720 2HB TYR 94 1HB TYR 94 5.381 7.553 -11.886 721 HD1 TYR 94 1HD TYR 94 4.334 9.811 -10.815 722 HD2 TYR 94 2HD TYR 94 8.519 8.990 -11.340 723 HE1 TYR 94 1HE TYR 94 4.821 12.242 -10.742 724 HE2 TYR 94 2HE TYR 94 9.004 11.420 -11.275 725 HH TYR 94 HH TYR 94 8.109 13.455 -10.638 726 HA PRO 95 HA PRO 95 3.334 3.763 -9.382 727 1HB PRO 95 2HB PRO 95 2.130 4.102 -12.078 728 2HB PRO 95 1HB PRO 95 1.355 3.680 -10.540 729 1HG PRO 95 2HG PRO 95 1.039 6.081 -11.625 730 2HG PRO 95 1HG PRO 95 1.176 5.871 -9.872 731 1HD PRO 95 2HD PRO 95 3.230 6.881 -11.815 732 2HD PRO 95 1HD PRO 95 2.887 7.418 -10.156 733 H CYS 96 H CYS 96 3.890 1.695 -10.078 734 HA CYS 96 HA CYS 96 5.120 0.070 -11.134 735 1HB CYS 96 2HB CYS 96 4.976 1.845 -13.574 736 2HB CYS 96 1HB CYS 96 5.171 0.094 -13.526 737 HG CYS 96 HG CYS 96 2.614 0.733 -12.135 738 H GLU 97 H GLU 97 6.456 2.315 -9.795 739 HA GLU 97 HA GLU 97 9.114 1.879 -10.927 740 1HB GLU 97 2HB GLU 97 7.922 4.631 -10.524 741 2HB GLU 97 1HB GLU 97 9.636 4.320 -10.801 742 1HG GLU 97 2HG GLU 97 8.973 3.111 -12.923 743 2HG GLU 97 1HG GLU 97 7.336 3.714 -12.674 744 H THR 98 H THR 98 10.637 1.698 -9.376 745 HA THR 98 HA THR 98 9.862 2.444 -6.619 746 HB THR 98 HB THR 98 11.885 0.312 -7.237 747 HG1 THR 98 1HG THR 98 10.195 -0.502 -8.304 748 1HG2 THR 98 1HG2 THR 98 11.788 0.959 -4.943 749 2HG2 THR 98 2HG2 THR 98 10.881 -0.549 -5.054 750 3HG2 THR 98 3HG2 THR 98 10.024 0.989 -4.953 751 H GLU 99 H GLU 99 11.069 3.971 -5.705 752 HA GLU 99 HA GLU 99 13.786 4.442 -6.782 753 1HB GLU 99 2HB GLU 99 11.836 6.468 -5.654 754 2HB GLU 99 1HB GLU 99 13.470 6.818 -6.220 755 1HG GLU 99 2HG GLU 99 11.286 5.602 -7.935 756 2HG GLU 99 1HG GLU 99 11.726 7.310 -7.939 757 H MET 100 H MET 100 15.281 5.469 -5.220 758 HA MET 100 HA MET 100 15.164 4.079 -2.682 759 1HB MET 100 2HB MET 100 17.225 6.086 -3.611 760 2HB MET 100 1HB MET 100 17.408 4.863 -2.353 761 1HG MET 100 2HG MET 100 16.997 4.343 -5.312 762 2HG MET 100 1HG MET 100 18.486 4.084 -4.403 763 1HE MET 100 1HE MET 100 17.982 1.263 -2.128 764 2HE MET 100 2HE MET 100 17.139 2.686 -1.521 765 3HE MET 100 3HE MET 100 18.657 2.877 -2.394 766 H PHE 101 H PHE 101 15.316 5.102 -0.621 767 HA PHE 101 HA PHE 101 14.134 7.814 -0.580 768 1HB PHE 101 2HB PHE 101 12.601 6.078 0.263 769 2HB PHE 101 1HB PHE 101 13.814 5.585 1.445 770 HD1 PHE 101 1HD PHE 101 12.888 6.193 3.533 771 HD2 PHE 101 2HD PHE 101 12.867 9.011 0.292 772 HE1 PHE 101 1HE PHE 101 12.053 7.954 5.068 773 HE2 PHE 101 2HE PHE 101 12.041 10.774 1.829 774 HZ PHE 101 HZ PHE 101 11.626 10.242 4.215 775 H ILE 102 H ILE 102 15.209 6.159 2.279 776 HA ILE 102 HA ILE 102 17.657 7.803 2.366 777 HB ILE 102 HB ILE 102 17.220 8.415 4.668 778 1HG1 ILE 102 2HG1 ILE 102 14.775 7.831 5.463 779 2HG1 ILE 102 1HG1 ILE 102 14.928 6.507 4.308 780 1HG2 ILE 102 1HG2 ILE 102 15.445 9.967 4.309 781 2HG2 ILE 102 2HG2 ILE 102 14.657 8.907 3.141 782 3HG2 ILE 102 3HG2 ILE 102 16.170 9.711 2.722 783 1HD1 ILE 102 1HD1 ILE 102 16.272 5.356 5.701 784 2HD1 ILE 102 2HD1 ILE 102 15.908 6.558 6.939 785 3HD1 ILE 102 3HD1 ILE 102 17.331 6.751 5.914 786 H GLU 103 H GLU 103 19.302 6.990 3.788 787 HA GLU 103 HA GLU 103 18.949 4.170 4.590 788 1HB GLU 103 2HB GLU 103 20.159 4.160 2.478 789 2HB GLU 103 1HB GLU 103 21.309 5.343 3.101 790 1HG GLU 103 2HG GLU 103 22.087 3.774 4.786 791 2HG GLU 103 1HG GLU 103 20.852 2.607 4.320 792 H GLY 104 H GLY 104 20.362 3.465 6.284 793 1HA GLY 104 2HA GLY 104 22.253 4.141 7.781 794 2HA GLY 104 1HA GLY 104 21.435 5.695 7.911 795 H ARG 105 H ARG 105 21.447 5.299 10.232 796 HA ARG 105 HA ARG 105 19.638 3.197 11.186 797 1HB ARG 105 2HB ARG 105 21.865 3.622 12.291 798 2HB ARG 105 1HB ARG 105 21.231 5.180 12.821 799 1HG ARG 105 2HG ARG 105 19.343 3.991 13.940 800 2HG ARG 105 1HG ARG 105 20.081 2.455 13.488 801 1HD ARG 105 2HD ARG 105 21.398 4.590 15.189 802 2HD ARG 105 1HD ARG 105 20.674 3.107 15.803 803 HE ARG 105 HE ARG 105 23.252 3.359 14.555 804 1HH1 ARG 105 1HH2 ARG 105 20.522 1.296 15.073 805 2HH1 ARG 105 2HH2 ARG 105 21.421 -0.172 14.880 806 1HH2 ARG 105 1HH1 ARG 105 24.437 1.438 14.300 807 2HH2 ARG 105 2HH1 ARG 105 23.637 -0.091 14.441 808 H VAL 106 H VAL 106 17.706 3.598 12.199 809 HA VAL 106 HA VAL 106 16.817 6.417 12.297 810 HB VAL 106 HB VAL 106 14.974 4.130 11.631 811 1HG1 VAL 106 1HG1 VAL 106 14.198 6.460 12.414 812 2HG1 VAL 106 2HG1 VAL 106 13.504 5.848 10.914 813 3HG1 VAL 106 3HG1 VAL 106 14.797 7.045 10.862 814 1HG2 VAL 106 1HG2 VAL 106 16.722 4.112 9.925 815 2HG2 VAL 106 2HG2 VAL 106 16.594 5.860 9.736 816 3HG2 VAL 106 3HG2 VAL 106 15.257 4.820 9.244 817 H ASN 107 H ASN 107 15.798 7.046 14.117 818 HA ASN 107 HA ASN 107 14.850 5.009 16.013 819 1HB ASN 107 2HB ASN 107 16.088 5.841 17.830 820 2HB ASN 107 1HB ASN 107 17.258 5.796 16.512 821 1HD2 ASN 107 1HD2 ASN 107 18.200 7.778 15.864 822 2HD2 ASN 107 2HD2 ASN 107 17.755 9.285 16.508 823 H GLY 108 H GLY 108 12.839 5.506 16.595 824 1HA GLY 108 2HA GLY 108 10.881 6.716 16.818 825 2HA GLY 108 1HA GLY 108 11.909 7.827 17.720 826 H PHE 109 H PHE 109 10.206 7.268 14.772 827 HA PHE 109 HA PHE 109 10.855 10.006 13.904 828 1HB PHE 109 2HB PHE 109 11.067 9.225 11.565 829 2HB PHE 109 1HB PHE 109 12.316 8.539 12.603 830 HD1 PHE 109 1HD PHE 109 12.115 6.187 13.423 831 HD2 PHE 109 2HD PHE 109 9.388 7.840 10.547 832 HE1 PHE 109 1HE PHE 109 11.351 3.901 12.835 833 HE2 PHE 109 2HE PHE 109 8.626 5.555 9.956 834 HZ PHE 109 HZ PHE 109 9.607 3.585 11.101 835 H LYS 110 H LYS 110 9.275 10.937 12.486 836 HA LYS 110 HA LYS 110 6.613 9.693 12.778 837 1HB LYS 110 2HB LYS 110 7.320 12.585 12.220 838 2HB LYS 110 1HB LYS 110 5.704 11.943 12.515 839 1HG LYS 110 2HG LYS 110 6.445 11.185 14.767 840 2HG LYS 110 1HG LYS 110 8.021 11.923 14.473 841 1HD LYS 110 2HD LYS 110 6.787 14.109 14.054 842 2HD LYS 110 1HD LYS 110 5.342 13.314 14.683 843 1HE LYS 110 2HE LYS 110 6.761 12.719 16.740 844 2HE LYS 110 1HE LYS 110 7.929 13.894 16.132 845 1HZ LYS 110 1HZ LYS 110 5.090 14.629 16.403 846 2HZ LYS 110 2HZ LYS 110 6.463 15.630 16.410 847 3HZ LYS 110 3HZ LYS 110 6.108 14.662 17.760 848 H SER 111 H SER 111 5.555 9.024 11.016 849 HA SER 111 HA SER 111 6.676 9.745 8.379 850 1HB SER 111 2HB SER 111 5.034 7.304 9.069 851 2HB SER 111 1HB SER 111 5.895 7.620 7.565 852 HG SER 111 HG SER 111 7.836 7.600 8.783 853 H LYS 112 H LYS 112 5.407 10.684 6.894 854 HA LYS 112 HA LYS 112 2.490 10.675 7.280 855 1HB LYS 112 2HB LYS 112 3.429 12.783 8.245 856 2HB LYS 112 1HB LYS 112 4.084 13.171 6.654 857 1HG LYS 112 2HG LYS 112 1.801 13.080 5.699 858 2HG LYS 112 1HG LYS 112 1.153 12.730 7.303 859 1HD LYS 112 2HD LYS 112 2.155 14.883 8.113 860 2HD LYS 112 1HD LYS 112 2.614 15.245 6.449 861 1HE LYS 112 2HE LYS 112 0.520 16.349 6.821 862 2HE LYS 112 1HE LYS 112 0.166 14.933 5.831 863 1HZ LYS 112 1HZ LYS 112 -0.692 15.553 8.485 864 2HZ LYS 112 2HZ LYS 112 0.023 14.015 8.393 865 3HZ LYS 112 3HZ LYS 112 -1.297 14.401 7.396 866 H MET 113 H MET 113 1.549 10.007 5.460 867 HA MET 113 HA MET 113 2.801 10.712 2.879 868 1HB MET 113 2HB MET 113 1.569 8.015 3.461 869 2HB MET 113 1HB MET 113 2.478 8.501 2.028 870 1HG MET 113 2HG MET 113 4.112 7.370 3.248 871 2HG MET 113 1HG MET 113 4.379 9.034 3.766 872 1HE MET 113 1HE MET 113 3.868 5.405 5.246 873 2HE MET 113 2HE MET 113 2.555 5.888 4.175 874 3HE MET 113 3HE MET 113 2.238 5.642 5.891 875 H ASP 114 H ASP 114 1.240 10.215 1.033 876 HA ASP 114 HA ASP 114 -1.581 10.298 1.640 877 1HB ASP 114 2HB ASP 114 -0.723 12.681 1.990 878 2HB ASP 114 1HB ASP 114 -0.423 12.715 0.253 879 H ALA 115 H ALA 115 -2.839 10.696 -0.485 880 HA ALA 115 HA ALA 115 -1.340 9.459 -2.718 881 1HB ALA 115 1HB ALA 115 -2.995 7.926 -1.636 882 2HB ALA 115 2HB ALA 115 -3.339 8.248 -3.336 883 3HB ALA 115 3HB ALA 115 -4.270 9.061 -2.078 884 H LEU 116 H LEU 116 -0.892 11.503 -3.633 885 HA LEU 116 HA LEU 116 -3.117 13.241 -4.356 886 1HB LEU 116 2HB LEU 116 -0.239 13.557 -5.207 887 2HB LEU 116 1HB LEU 116 -1.476 14.805 -5.042 888 HG LEU 116 HG LEU 116 -0.168 13.228 -2.810 889 1HD1 LEU 116 1HD1 LEU 116 -0.310 16.222 -3.205 890 2HD1 LEU 116 2HD1 LEU 116 0.998 15.251 -3.880 891 3HD1 LEU 116 3HD1 LEU 116 0.758 15.316 -2.135 892 1HD2 LEU 116 1HD2 LEU 116 -2.582 15.044 -2.853 893 2HD2 LEU 116 2HD2 LEU 116 -1.628 14.816 -1.387 894 3HD2 LEU 116 3HD2 LEU 116 -2.434 13.439 -2.139 895 HA PRO 117 HA PRO 117 -3.673 11.569 -8.395 896 1HB PRO 117 2HB PRO 117 -4.582 13.784 -9.716 897 2HB PRO 117 1HB PRO 117 -5.565 12.874 -8.553 898 1HG PRO 117 2HG PRO 117 -4.074 15.425 -8.186 899 2HG PRO 117 1HG PRO 117 -5.668 14.949 -7.576 900 1HD PRO 117 2HD PRO 117 -3.419 14.919 -6.020 901 2HD PRO 117 1HD PRO 117 -4.787 13.814 -5.763 902 H LEU 118 H LEU 118 -2.682 11.446 -10.432 903 HA LEU 118 HA LEU 118 -0.046 12.545 -10.613 904 1HB LEU 118 2HB LEU 118 -1.689 11.099 -12.707 905 2HB LEU 118 1HB LEU 118 0.049 11.394 -12.778 906 HG LEU 118 HG LEU 118 -1.144 9.984 -10.403 907 1HD1 LEU 118 1HD1 LEU 118 -0.755 7.836 -11.540 908 2HD1 LEU 118 2HD1 LEU 118 -0.291 8.690 -13.013 909 3HD1 LEU 118 3HD1 LEU 118 -1.948 8.792 -12.419 910 1HD2 LEU 118 1HD2 LEU 118 1.076 9.146 -10.139 911 2HD2 LEU 118 2HD2 LEU 118 1.269 10.849 -10.558 912 3HD2 LEU 118 3HD2 LEU 118 1.523 9.605 -11.782 913 H SER 119 H SER 119 0.608 14.387 -11.526 914 HA SER 119 HA SER 119 -1.387 16.054 -12.884 915 1HB SER 119 2HB SER 119 1.365 16.674 -11.794 916 2HB SER 119 1HB SER 119 0.342 17.845 -12.622 917 HG SER 119 HG SER 119 0.149 16.766 -10.085 918 H GLU 120 H GLU 120 0.105 17.641 -14.476 919 HA GLU 120 HA GLU 120 0.432 16.101 -16.819 920 1HB GLU 120 2HB GLU 120 1.273 18.141 -17.832 921 2HB GLU 120 1HB GLU 120 -0.088 18.538 -16.783 922 1HG GLU 120 2HG GLU 120 1.577 19.054 -14.958 923 2HG GLU 120 1HG GLU 120 2.858 18.861 -16.155 924 H GLU 121 H GLU 121 2.660 17.100 -14.310 925 HA GLU 121 HA GLU 121 5.105 16.717 -15.601 926 1HB GLU 121 2HB GLU 121 4.355 16.192 -12.716 927 2HB GLU 121 1HB GLU 121 6.009 16.268 -13.326 928 1HG GLU 121 2HG GLU 121 5.583 18.579 -14.130 929 2HG GLU 121 1HG GLU 121 3.961 18.500 -13.443 930 H TYR 122 H TYR 122 2.953 14.383 -14.038 931 HA TYR 122 HA TYR 122 4.687 12.145 -14.263 932 1HB TYR 122 2HB TYR 122 2.884 11.959 -12.726 933 2HB TYR 122 1HB TYR 122 1.696 12.405 -13.952 934 HD1 TYR 122 1HD TYR 122 4.319 9.821 -13.243 935 HD2 TYR 122 2HD TYR 122 0.563 10.725 -15.121 936 HE1 TYR 122 1HE TYR 122 4.069 7.440 -13.889 937 HE2 TYR 122 2HE TYR 122 0.307 8.341 -15.756 938 HH TYR 122 HH TYR 122 2.048 5.885 -14.416 939 H ARG 123 H ARG 123 2.151 13.473 -16.349 940 HA ARG 123 HA ARG 123 2.013 11.436 -18.253 941 1HB ARG 123 2HB ARG 123 1.779 14.419 -18.729 942 2HB ARG 123 1HB ARG 123 1.161 13.146 -19.782 943 1HG ARG 123 2HG ARG 123 0.340 13.361 -16.882 944 2HG ARG 123 1HG ARG 123 -0.525 14.207 -18.164 945 1HD ARG 123 2HD ARG 123 -0.682 11.933 -19.340 946 2HD ARG 123 1HD ARG 123 -0.170 11.229 -17.809 947 HE ARG 123 HE ARG 123 -2.368 13.001 -17.412 948 1HH1 ARG 123 1HH2 ARG 123 -1.481 9.888 -18.637 949 2HH1 ARG 123 2HH2 ARG 123 -3.028 9.173 -18.330 950 1HH2 ARG 123 1HH1 ARG 123 -4.400 12.070 -17.008 951 2HH2 ARG 123 2HH1 ARG 123 -4.680 10.407 -17.405 952 H GLN 124 H GLN 124 4.222 14.203 -18.029 953 HA GLN 124 HA GLN 124 5.596 13.656 -20.468 954 1HB GLN 124 2HB GLN 124 5.595 15.871 -19.315 955 2HB GLN 124 1HB GLN 124 6.604 15.169 -18.049 956 1HG GLN 124 2HG GLN 124 8.333 14.620 -19.703 957 2HG GLN 124 1HG GLN 124 7.321 15.268 -20.994 958 1HE2 GLN 124 1HE2 GLN 124 9.782 16.463 -20.752 959 2HE2 GLN 124 2HE2 GLN 124 9.644 17.994 -20.033 960 H HIS 125 H HIS 125 6.124 12.768 -17.088 961 HA HIS 125 HA HIS 125 8.672 11.644 -17.293 962 1HB HIS 125 2HB HIS 125 7.845 11.852 -15.110 963 2HB HIS 125 1HB HIS 125 6.312 11.079 -15.515 964 HD1 HIS 125 1HD HIS 125 9.975 10.255 -14.999 965 HD2 HIS 125 2HD HIS 125 6.305 8.294 -15.247 966 HE1 HIS 125 1HE HIS 125 10.403 7.847 -14.342 967 HE2 HIS 125 2HE HIS 125 8.177 6.636 -14.498 968 H GLN 126 H GLN 126 5.567 10.442 -18.329 969 HA GLN 126 HA GLN 126 6.668 7.785 -18.898 970 1HB GLN 126 2HB GLN 126 3.860 8.852 -19.276 971 2HB GLN 126 1HB GLN 126 4.366 7.171 -19.446 972 1HG GLN 126 2HG GLN 126 4.765 8.744 -16.893 973 2HG GLN 126 1HG GLN 126 3.318 7.786 -17.204 974 1HE2 GLN 126 1HE2 GLN 126 3.447 5.563 -16.755 975 2HE2 GLN 126 2HE2 GLN 126 4.892 4.745 -16.401 976 H ALA 127 H ALA 127 5.470 10.674 -20.516 977 HA ALA 127 HA ALA 127 5.396 9.618 -23.147 978 1HB ALA 127 1HB ALA 127 4.372 11.806 -22.277 979 2HB ALA 127 2HB ALA 127 5.125 11.852 -23.871 980 3HB ALA 127 3HB ALA 127 5.982 12.498 -22.472 981 H GLU 128 H GLU 128 7.940 11.078 -21.201 982 HA GLU 128 HA GLU 128 9.833 11.439 -23.282 983 1HB GLU 128 2HB GLU 128 11.451 11.744 -21.527 984 2HB GLU 128 1HB GLU 128 9.941 12.484 -20.994 985 1HG GLU 128 2HG GLU 128 9.408 10.295 -19.823 986 2HG GLU 128 1HG GLU 128 11.064 9.799 -20.170 987 H LYS 129 H LYS 129 8.911 8.694 -21.321 988 HA LYS 129 HA LYS 129 11.137 7.039 -21.664 989 1HB LYS 129 2HB LYS 129 8.231 6.197 -21.578 990 2HB LYS 129 1HB LYS 129 9.626 5.181 -21.215 991 1HG LYS 129 2HG LYS 129 9.238 7.761 -19.723 992 2HG LYS 129 1HG LYS 129 8.328 6.327 -19.243 993 1HD LYS 129 2HD LYS 129 11.273 6.048 -19.695 994 2HD LYS 129 1HD LYS 129 10.724 6.823 -18.208 995 1HE LYS 129 2HE LYS 129 9.508 4.897 -17.527 996 2HE LYS 129 1HE LYS 129 9.603 4.174 -19.133 997 1HZ LYS 129 1HZ LYS 129 12.095 4.197 -18.781 998 2HZ LYS 129 2HZ LYS 129 11.209 3.073 -17.866 999 3HZ LYS 129 3HZ LYS 129 11.767 4.507 -17.145 1000 H ASP 130 H ASP 130 8.405 7.687 -23.801 1001 HA ASP 130 HA ASP 130 8.002 7.130 -25.993 1002 1HB ASP 130 2HB ASP 130 11.026 7.012 -26.002 1003 2HB ASP 130 1HB ASP 130 10.021 6.983 -27.450 1004 H LYS 131 H LYS 131 7.645 5.027 -24.252 1005 HA LYS 131 HA LYS 131 7.414 2.743 -24.202 1006 1HB LYS 131 2HB LYS 131 6.635 3.251 -26.571 1007 2HB LYS 131 1HB LYS 131 8.251 2.779 -27.103 1008 1HG LYS 131 2HG LYS 131 7.156 0.739 -27.254 1009 2HG LYS 131 1HG LYS 131 7.763 0.650 -25.600 1010 1HD LYS 131 2HD LYS 131 5.538 0.118 -25.237 1011 2HD LYS 131 1HD LYS 131 5.467 1.871 -25.055 1012 1HE LYS 131 2HE LYS 131 4.915 2.017 -27.517 1013 2HE LYS 131 1HE LYS 131 4.771 0.259 -27.524 1014 1HZ LYS 131 1HZ LYS 131 2.748 1.909 -26.997 1015 2HZ LYS 131 2HZ LYS 131 3.317 1.628 -25.421 1016 3HZ LYS 131 3HZ LYS 131 2.843 0.324 -26.402 Start of MODEL 3 1 H MET 1 1H MET 1 -14.861 -14.000 23.938 2 HA MET 1 HA MET 1 -13.038 -15.501 25.559 3 1HB MET 1 2HB MET 1 -14.479 -16.853 23.257 4 2HB MET 1 1HB MET 1 -13.003 -17.458 24.009 5 1HG MET 1 2HG MET 1 -14.216 -17.487 26.211 6 2HG MET 1 1HG MET 1 -15.696 -17.074 25.345 7 1HE MET 1 1HE MET 1 -16.530 -19.888 23.120 8 2HE MET 1 2HE MET 1 -15.167 -18.970 22.488 9 3HE MET 1 3HE MET 1 -16.448 -18.138 23.364 10 H GLY 2 H GLY 2 -11.470 -16.455 23.531 11 1HA GLY 2 2HA GLY 2 -10.498 -13.991 22.346 12 2HA GLY 2 1HA GLY 2 -9.718 -15.568 22.275 13 H CYS 3 H CYS 3 -9.494 -14.517 19.982 14 HA CYS 3 HA CYS 3 -11.465 -15.861 18.293 15 1HB CYS 3 2HB CYS 3 -10.904 -12.899 18.213 16 2HB CYS 3 1HB CYS 3 -11.533 -13.770 16.815 17 HG CYS 3 HG CYS 3 -13.679 -14.335 18.146 18 H GLY 4 H GLY 4 -10.737 -15.997 16.028 19 1HA GLY 4 2HA GLY 4 -8.100 -16.906 15.800 20 2HA GLY 4 1HA GLY 4 -9.147 -16.500 14.441 21 H ALA 5 H ALA 5 -6.326 -15.698 16.055 22 HA ALA 5 HA ALA 5 -6.251 -12.877 15.619 23 1HB ALA 5 1HB ALA 5 -3.777 -13.180 15.966 24 2HB ALA 5 2HB ALA 5 -4.064 -14.918 16.069 25 3HB ALA 5 3HB ALA 5 -4.778 -13.834 17.264 26 H SER 6 H SER 6 -5.151 -11.712 14.012 27 HA SER 6 HA SER 6 -5.241 -12.925 11.393 28 1HB SER 6 2HB SER 6 -4.846 -10.735 10.552 29 2HB SER 6 1HB SER 6 -5.891 -10.525 11.954 30 HG SER 6 HG SER 6 -4.367 -9.281 12.676 31 H SER 7 H SER 7 -3.009 -13.054 13.797 32 HA SER 7 HA SER 7 -0.557 -12.495 12.527 33 1HB SER 7 2HB SER 7 0.459 -13.810 14.283 34 2HB SER 7 1HB SER 7 -0.867 -12.883 14.979 35 HG SER 7 HG SER 7 -2.135 -14.714 14.938 36 H GLU 8 H GLU 8 -2.832 -14.972 11.991 37 HA GLU 8 HA GLU 8 -1.231 -17.136 11.222 38 1HB GLU 8 2HB GLU 8 -3.910 -16.230 10.142 39 2HB GLU 8 1HB GLU 8 -3.177 -17.801 9.812 40 1HG GLU 8 2HG GLU 8 -3.111 -18.262 12.250 41 2HG GLU 8 1HG GLU 8 -3.905 -16.718 12.548 42 H ASN 9 H ASN 9 -2.068 -14.175 9.541 43 HA ASN 9 HA ASN 9 -0.163 -14.911 7.416 44 1HB ASN 9 2HB ASN 9 -1.629 -14.100 5.689 45 2HB ASN 9 1HB ASN 9 -2.520 -15.289 6.636 46 1HD2 ASN 9 1HD2 ASN 9 -3.947 -13.349 5.150 47 2HD2 ASN 9 2HD2 ASN 9 -4.682 -12.260 6.224 48 H SER 10 H SER 10 0.761 -13.085 6.310 49 HA SER 10 HA SER 10 0.226 -10.395 7.044 50 1HB SER 10 2HB SER 10 2.257 -9.946 8.361 51 2HB SER 10 1HB SER 10 1.201 -11.088 9.187 52 HG SER 10 HG SER 10 3.608 -11.555 7.784 53 H SER 11 H SER 11 1.310 -12.580 4.996 54 HA SER 11 HA SER 11 3.741 -11.629 3.960 55 1HB SER 11 2HB SER 11 2.471 -13.780 3.364 56 2HB SER 11 1HB SER 11 1.530 -12.779 2.263 57 HG SER 11 HG SER 11 4.068 -13.725 2.032 58 H VAL 12 H VAL 12 3.181 -11.105 1.253 59 HA VAL 12 HA VAL 12 1.618 -8.613 1.285 60 HB VAL 12 HB VAL 12 4.377 -8.739 0.069 61 1HG1 VAL 12 1HG1 VAL 12 2.590 -7.042 -0.660 62 2HG1 VAL 12 2HG1 VAL 12 4.141 -6.382 -0.143 63 3HG1 VAL 12 3HG1 VAL 12 2.758 -6.345 0.950 64 1HG2 VAL 12 1HG2 VAL 12 3.529 -7.704 2.794 65 2HG2 VAL 12 2HG2 VAL 12 5.113 -7.439 2.063 66 3HG2 VAL 12 3HG2 VAL 12 4.599 -9.072 2.490 67 H THR 13 H THR 13 0.486 -8.271 -0.550 68 HA THR 13 HA THR 13 1.105 -9.978 -2.885 69 HB THR 13 HB THR 13 -1.706 -9.192 -2.158 70 HG1 THR 13 1HG THR 13 -1.500 -10.445 -0.498 71 1HG2 THR 13 1HG2 THR 13 -1.221 -10.059 -4.424 72 2HG2 THR 13 2HG2 THR 13 -2.229 -11.180 -3.507 73 3HG2 THR 13 3HG2 THR 13 -0.507 -11.504 -3.709 74 H TYR 14 H TYR 14 1.263 -8.936 -4.775 75 HA TYR 14 HA TYR 14 0.523 -6.081 -4.837 76 1HB TYR 14 2HB TYR 14 2.450 -7.632 -6.584 77 2HB TYR 14 1HB TYR 14 2.123 -5.902 -6.699 78 HD1 TYR 14 1HD TYR 14 4.194 -8.368 -5.213 79 HD2 TYR 14 2HD TYR 14 2.396 -4.540 -4.458 80 HE1 TYR 14 1HE TYR 14 5.870 -7.929 -3.437 81 HE2 TYR 14 2HE TYR 14 4.072 -4.102 -2.684 82 HH TYR 14 HH TYR 14 6.238 -4.811 -1.988 83 H VAL 15 H VAL 15 -0.119 -5.289 -7.068 84 HA VAL 15 HA VAL 15 -1.672 -7.288 -8.567 85 HB VAL 15 HB VAL 15 -3.494 -6.527 -7.423 86 1HG1 VAL 15 1HG1 VAL 15 -3.567 -4.101 -6.556 87 2HG1 VAL 15 2HG1 VAL 15 -1.858 -4.025 -6.986 88 3HG1 VAL 15 3HG1 VAL 15 -2.415 -5.190 -5.784 89 1HG2 VAL 15 1HG2 VAL 15 -3.556 -5.673 -9.853 90 2HG2 VAL 15 2HG2 VAL 15 -3.193 -4.085 -9.178 91 3HG2 VAL 15 3HG2 VAL 15 -4.676 -4.919 -8.718 92 H ASN 16 H ASN 16 -1.053 -3.769 -8.467 93 HA ASN 16 HA ASN 16 -1.217 -3.409 -11.265 94 1HB ASN 16 2HB ASN 16 0.134 -1.758 -9.122 95 2HB ASN 16 1HB ASN 16 -0.056 -1.236 -10.795 96 1HD2 ASN 16 1HD2 ASN 16 -1.445 -0.768 -7.862 97 2HD2 ASN 16 2HD2 ASN 16 -3.062 -0.540 -8.329 98 H GLY 17 H GLY 17 1.383 -4.395 -9.158 99 1HA GLY 17 2HA GLY 17 2.966 -5.571 -11.081 100 2HA GLY 17 1HA GLY 17 3.521 -3.902 -10.997 101 H ARG 18 H ARG 18 5.157 -6.078 -10.324 102 HA ARG 18 HA ARG 18 5.231 -6.179 -7.399 103 1HB ARG 18 2HB ARG 18 7.305 -7.470 -9.121 104 2HB ARG 18 1HB ARG 18 6.590 -8.035 -7.611 105 1HG ARG 18 2HG ARG 18 5.195 -7.928 -10.302 106 2HG ARG 18 1HG ARG 18 5.775 -9.386 -9.496 107 1HD ARG 18 2HD ARG 18 4.285 -8.661 -7.520 108 2HD ARG 18 1HD ARG 18 3.529 -7.553 -8.659 109 HE ARG 18 HE ARG 18 2.491 -9.374 -9.663 110 1HH1 ARG 18 1HH2 ARG 18 5.089 -10.384 -7.612 111 2HH1 ARG 18 2HH2 ARG 18 4.713 -12.071 -7.735 112 1HH2 ARG 18 1HH1 ARG 18 1.993 -11.585 -9.828 113 2HH2 ARG 18 2HH1 ARG 18 2.961 -12.750 -8.989 114 HA PRO 19 HA PRO 19 8.353 -3.078 -7.103 115 1HB PRO 19 2HB PRO 19 9.487 -3.776 -4.731 116 2HB PRO 19 1HB PRO 19 7.871 -3.054 -4.847 117 1HG PRO 19 2HG PRO 19 8.649 -5.900 -4.452 118 2HG PRO 19 1HG PRO 19 7.333 -4.976 -3.712 119 1HD PRO 19 2HD PRO 19 6.961 -6.731 -5.796 120 2HD PRO 19 1HD PRO 19 5.902 -5.339 -5.485 121 H THR 20 H THR 20 10.432 -2.788 -7.774 122 HA THR 20 HA THR 20 11.966 -5.144 -8.517 123 HB THR 20 HB THR 20 11.922 -3.437 -10.174 124 HG1 THR 20 1HG THR 20 14.033 -4.367 -9.517 125 1HG2 THR 20 1HG2 THR 20 11.196 -1.525 -8.977 126 2HG2 THR 20 2HG2 THR 20 12.814 -1.109 -9.540 127 3HG2 THR 20 3HG2 THR 20 12.563 -1.603 -7.866 128 H PHE 21 H PHE 21 11.586 -3.762 -5.675 129 HA PHE 21 HA PHE 21 14.385 -4.230 -4.880 130 1HB PHE 21 2HB PHE 21 13.969 -1.774 -5.057 131 2HB PHE 21 1HB PHE 21 12.690 -1.943 -3.854 132 HD1 PHE 21 1HD PHE 21 13.192 -2.299 -1.523 133 HD2 PHE 21 2HD PHE 21 16.334 -2.236 -4.450 134 HE1 PHE 21 1HE PHE 21 14.878 -2.177 0.291 135 HE2 PHE 21 2HE PHE 21 18.020 -2.115 -2.637 136 HZ PHE 21 HZ PHE 21 17.293 -2.085 -0.267 137 H VAL 22 H VAL 22 14.539 -5.607 -3.225 138 HA VAL 22 HA VAL 22 12.195 -5.945 -1.453 139 HB VAL 22 HB VAL 22 13.987 -8.240 -2.210 140 1HG1 VAL 22 1HG1 VAL 22 12.029 -9.545 -1.536 141 2HG1 VAL 22 2HG1 VAL 22 11.093 -8.066 -1.315 142 3HG1 VAL 22 3HG1 VAL 22 12.455 -8.415 -0.251 143 1HG2 VAL 22 1HG2 VAL 22 11.560 -7.182 -3.684 144 2HG2 VAL 22 2HG2 VAL 22 12.164 -8.828 -3.878 145 3HG2 VAL 22 3HG2 VAL 22 13.174 -7.457 -4.338 146 H GLY 23 H GLY 23 12.646 -5.766 0.649 147 1HA GLY 23 2HA GLY 23 15.488 -5.850 1.473 148 2HA GLY 23 1HA GLY 23 14.251 -4.867 2.253 149 H GLU 24 H GLU 24 13.451 -5.648 4.093 150 HA GLU 24 HA GLU 24 13.289 -8.568 4.460 151 1HB GLU 24 2HB GLU 24 14.403 -6.625 6.498 152 2HB GLU 24 1HB GLU 24 14.159 -8.355 6.744 153 1HG GLU 24 2HG GLU 24 15.943 -7.153 4.607 154 2HG GLU 24 1HG GLU 24 16.516 -7.796 6.145 155 H GLU 25 H GLU 25 12.576 -5.521 6.189 156 HA GLU 25 HA GLU 25 10.048 -6.641 7.127 157 1HB GLU 25 2HB GLU 25 11.553 -5.302 8.628 158 2HB GLU 25 1HB GLU 25 11.197 -3.889 7.633 159 1HG GLU 25 2HG GLU 25 8.773 -4.215 8.089 160 2HG GLU 25 1HG GLU 25 9.176 -5.562 9.153 161 H VAL 26 H VAL 26 8.282 -6.477 5.916 162 HA VAL 26 HA VAL 26 7.991 -4.107 4.167 163 HB VAL 26 HB VAL 26 6.704 -6.787 3.660 164 1HG1 VAL 26 1HG1 VAL 26 5.723 -4.894 2.483 165 2HG1 VAL 26 2HG1 VAL 26 6.649 -5.858 1.334 166 3HG1 VAL 26 3HG1 VAL 26 7.317 -4.351 1.959 167 1HG2 VAL 26 1HG2 VAL 26 9.075 -7.231 3.658 168 2HG2 VAL 26 2HG2 VAL 26 9.408 -5.743 2.771 169 3HG2 VAL 26 3HG2 VAL 26 8.576 -7.078 1.973 170 H THR 27 H THR 27 6.222 -2.888 4.446 171 HA THR 27 HA THR 27 3.903 -4.017 5.859 172 HB THR 27 HB THR 27 3.840 -2.369 7.505 173 HG1 THR 27 1HG THR 27 4.220 -0.672 5.923 174 1HG2 THR 27 1HG2 THR 27 6.003 -2.379 8.567 175 2HG2 THR 27 2HG2 THR 27 6.816 -2.648 7.025 176 3HG2 THR 27 3HG2 THR 27 5.820 -3.921 7.730 177 H LYS 28 H LYS 28 2.044 -2.378 5.806 178 HA LYS 28 HA LYS 28 2.032 -1.054 3.160 179 1HB LYS 28 2HB LYS 28 -0.449 -1.965 4.595 180 2HB LYS 28 1HB LYS 28 -0.214 -1.660 2.874 181 1HG LYS 28 2HG LYS 28 1.351 -3.604 2.783 182 2HG LYS 28 1HG LYS 28 0.982 -3.941 4.475 183 1HD LYS 28 2HD LYS 28 -1.458 -4.078 3.817 184 2HD LYS 28 1HD LYS 28 -0.936 -4.001 2.133 185 1HE LYS 28 2HE LYS 28 -0.511 -6.182 4.149 186 2HE LYS 28 1HE LYS 28 -1.020 -6.304 2.464 187 1HZ LYS 28 1HZ LYS 28 1.694 -5.538 3.397 188 2HZ LYS 28 2HZ LYS 28 1.201 -5.670 1.776 189 3HZ LYS 28 3HZ LYS 28 1.260 -7.051 2.765 190 H GLY 29 H GLY 29 2.590 1.012 3.748 191 1HA GLY 29 2HA GLY 29 2.146 2.540 5.892 192 2HA GLY 29 1HA GLY 29 1.929 3.193 4.272 193 H PHE 30 H PHE 30 -0.236 2.958 3.294 194 HA PHE 30 HA PHE 30 -2.274 3.828 5.069 195 1HB PHE 30 2HB PHE 30 -2.567 2.783 2.243 196 2HB PHE 30 1HB PHE 30 -3.726 3.783 3.118 197 HD1 PHE 30 1HD PHE 30 -3.135 6.131 3.746 198 HD2 PHE 30 2HD PHE 30 -0.612 3.735 1.227 199 HE1 PHE 30 1HE PHE 30 -1.939 8.172 3.000 200 HE2 PHE 30 2HE PHE 30 0.583 5.776 0.481 201 HZ PHE 30 HZ PHE 30 -0.081 7.995 1.369 202 H GLU 31 H GLU 31 -3.922 2.762 6.038 203 HA GLU 31 HA GLU 31 -3.805 -0.168 5.997 204 1HB GLU 31 2HB GLU 31 -5.459 0.131 7.941 205 2HB GLU 31 1HB GLU 31 -3.800 0.667 8.206 206 1HG GLU 31 2HG GLU 31 -5.898 2.565 7.166 207 2HG GLU 31 1HG GLU 31 -5.711 2.276 8.895 208 H LYS 32 H LYS 32 -4.931 1.326 3.746 209 HA LYS 32 HA LYS 32 -7.653 0.185 3.817 210 1HB LYS 32 2HB LYS 32 -7.532 2.755 4.034 211 2HB LYS 32 1HB LYS 32 -7.032 2.735 2.342 212 1HG LYS 32 2HG LYS 32 -9.077 1.431 1.782 213 2HG LYS 32 1HG LYS 32 -9.589 1.554 3.465 214 1HD LYS 32 2HD LYS 32 -9.439 4.070 3.228 215 2HD LYS 32 1HD LYS 32 -9.202 3.822 1.498 216 1HE LYS 32 2HE LYS 32 -11.582 4.248 2.025 217 2HE LYS 32 1HE LYS 32 -11.350 2.631 1.359 218 1HZ LYS 32 1HZ LYS 32 -12.787 2.801 3.403 219 2HZ LYS 32 2HZ LYS 32 -11.372 3.163 4.272 220 3HZ LYS 32 3HZ LYS 32 -11.526 1.669 3.476 221 H ASP 33 H ASP 33 -8.515 -0.337 1.690 222 HA ASP 33 HA ASP 33 -8.354 -1.372 -0.354 223 1HB ASP 33 2HB ASP 33 -5.965 0.445 -0.740 224 2HB ASP 33 1HB ASP 33 -6.907 -0.344 -2.004 225 H ASN 34 H ASN 34 -5.792 -1.725 -1.806 226 HA ASN 34 HA ASN 34 -4.987 -4.179 -0.477 227 1HB ASN 34 2HB ASN 34 -4.097 -2.933 -3.088 228 2HB ASN 34 1HB ASN 34 -3.624 -4.531 -2.515 229 1HD2 ASN 34 1HD2 ASN 34 -5.243 -3.869 -4.943 230 2HD2 ASN 34 2HD2 ASN 34 -6.722 -4.675 -4.738 231 H GLY 35 H GLY 35 -4.291 -1.380 0.529 232 1HA GLY 35 2HA GLY 35 -2.483 -0.867 1.975 233 2HA GLY 35 1HA GLY 35 -1.466 -1.973 1.058 234 H LEU 36 H LEU 36 -2.549 -0.760 -1.491 235 HA LEU 36 HA LEU 36 -1.911 0.846 -3.001 236 1HB LEU 36 2HB LEU 36 -1.588 2.675 -0.618 237 2HB LEU 36 1HB LEU 36 -1.951 3.124 -2.285 238 HG LEU 36 HG LEU 36 -3.747 1.533 -0.431 239 1HD1 LEU 36 1HD1 LEU 36 -3.545 4.041 -0.071 240 2HD1 LEU 36 2HD1 LEU 36 -5.170 3.469 -0.447 241 3HD1 LEU 36 3HD1 LEU 36 -4.197 4.247 -1.695 242 1HD2 LEU 36 1HD2 LEU 36 -5.366 1.963 -2.422 243 2HD2 LEU 36 2HD2 LEU 36 -4.176 0.672 -2.587 244 3HD2 LEU 36 3HD2 LEU 36 -3.898 2.232 -3.362 245 H LEU 37 H LEU 37 0.011 2.049 -0.275 246 HA LEU 37 HA LEU 37 2.437 1.589 -1.893 247 1HB LEU 37 2HB LEU 37 1.959 3.935 -1.239 248 2HB LEU 37 1HB LEU 37 2.038 3.455 0.457 249 HG LEU 37 HG LEU 37 4.376 2.483 -0.178 250 1HD1 LEU 37 1HD1 LEU 37 3.703 3.130 -2.685 251 2HD1 LEU 37 2HD1 LEU 37 5.377 3.197 -2.132 252 3HD1 LEU 37 3HD1 LEU 37 4.415 4.673 -2.210 253 1HD2 LEU 37 1HD2 LEU 37 3.731 5.436 0.043 254 2HD2 LEU 37 2HD2 LEU 37 5.377 4.808 0.121 255 3HD2 LEU 37 3HD2 LEU 37 4.195 4.336 1.342 256 H PHE 38 H PHE 38 4.013 0.272 -1.185 257 HA PHE 38 HA PHE 38 3.656 -0.968 1.473 258 1HB PHE 38 2HB PHE 38 5.150 -2.020 -0.943 259 2HB PHE 38 1HB PHE 38 4.912 -2.870 0.585 260 HD1 PHE 38 1HD PHE 38 2.875 -4.011 1.065 261 HD2 PHE 38 2HD PHE 38 3.143 -1.419 -2.350 262 HE1 PHE 38 1HE PHE 38 0.682 -4.845 0.260 263 HE2 PHE 38 2HE PHE 38 0.949 -2.253 -3.155 264 HZ PHE 38 HZ PHE 38 -0.281 -3.965 -1.850 265 H ARG 39 H ARG 39 5.145 -0.610 2.993 266 HA ARG 39 HA ARG 39 7.477 1.006 2.348 267 1HB ARG 39 2HB ARG 39 6.102 1.471 4.364 268 2HB ARG 39 1HB ARG 39 6.570 -0.100 5.016 269 1HG ARG 39 2HG ARG 39 8.918 0.545 5.015 270 2HG ARG 39 1HG ARG 39 8.528 2.077 4.233 271 1HD ARG 39 2HD ARG 39 8.780 2.522 6.587 272 2HD ARG 39 1HD ARG 39 7.061 2.619 6.213 273 HE ARG 39 HE ARG 39 7.713 -0.021 7.021 274 1HH1 ARG 39 1HH2 ARG 39 7.383 3.213 8.206 275 2HH1 ARG 39 2HH2 ARG 39 6.944 2.729 9.810 276 1HH2 ARG 39 1HH1 ARG 39 7.139 -0.664 9.122 277 2HH2 ARG 39 2HH1 ARG 39 6.805 0.533 10.328 278 H ILE 40 H ILE 40 9.215 -0.002 1.567 279 HA ILE 40 HA ILE 40 9.870 -2.701 2.556 280 HB ILE 40 HB ILE 40 11.062 -1.269 0.176 281 1HG1 ILE 40 2HG1 ILE 40 8.771 -3.259 0.236 282 2HG1 ILE 40 1HG1 ILE 40 8.583 -1.527 -0.037 283 1HG2 ILE 40 1HG2 ILE 40 11.600 -3.618 -0.489 284 2HG2 ILE 40 2HG2 ILE 40 10.952 -4.170 1.055 285 3HG2 ILE 40 3HG2 ILE 40 12.383 -3.141 1.017 286 1HD1 ILE 40 1HD1 ILE 40 9.916 -3.574 -1.800 287 2HD1 ILE 40 2HD1 ILE 40 10.325 -1.864 -1.939 288 3HD1 ILE 40 3HD1 ILE 40 8.669 -2.400 -2.220 289 H VAL 41 H VAL 41 11.613 -3.032 3.800 290 HA VAL 41 HA VAL 41 13.658 -0.909 3.960 291 HB VAL 41 HB VAL 41 12.485 -2.392 6.325 292 1HG1 VAL 41 1HG1 VAL 41 14.738 -1.875 6.839 293 2HG1 VAL 41 2HG1 VAL 41 13.823 -0.529 7.519 294 3HG1 VAL 41 3HG1 VAL 41 14.669 -0.335 5.982 295 1HG2 VAL 41 1HG2 VAL 41 11.450 -0.281 6.920 296 2HG2 VAL 41 2HG2 VAL 41 10.974 -0.672 5.267 297 3HG2 VAL 41 3HG2 VAL 41 12.228 0.532 5.562 298 H ASN 42 H ASN 42 15.649 -1.668 3.666 299 HA ASN 42 HA ASN 42 16.087 -4.577 3.861 300 1HB ASN 42 2HB ASN 42 16.610 -3.064 1.755 301 2HB ASN 42 1HB ASN 42 18.087 -2.713 2.652 302 1HD2 ASN 42 1HD2 ASN 42 17.174 -4.631 0.226 303 2HD2 ASN 42 2HD2 ASN 42 18.060 -6.039 0.568 304 H LYS 43 H LYS 43 16.714 -5.064 5.889 305 HA LYS 43 HA LYS 43 18.105 -3.377 7.653 306 1HB LYS 43 2HB LYS 43 17.921 -6.396 7.560 307 2HB LYS 43 1HB LYS 43 18.596 -5.483 8.911 308 1HG LYS 43 2HG LYS 43 16.431 -4.260 9.118 309 2HG LYS 43 1HG LYS 43 15.765 -5.283 7.846 310 1HD LYS 43 2HD LYS 43 16.307 -7.289 9.240 311 2HD LYS 43 1HD LYS 43 16.817 -6.205 10.535 312 1HE LYS 43 2HE LYS 43 14.063 -6.140 9.276 313 2HE LYS 43 1HE LYS 43 14.441 -7.013 10.760 314 1HZ LYS 43 1HZ LYS 43 13.959 -5.087 11.752 315 2HZ LYS 43 2HZ LYS 43 14.111 -4.184 10.320 316 3HZ LYS 43 3HZ LYS 43 15.490 -4.578 11.231 317 H LYS 44 H LYS 44 19.227 -5.600 5.182 318 HA LYS 44 HA LYS 44 21.910 -5.855 5.966 319 1HB LYS 44 2HB LYS 44 20.808 -7.194 4.175 320 2HB LYS 44 1HB LYS 44 20.838 -5.767 3.138 321 1HG LYS 44 2HG LYS 44 23.259 -5.691 3.207 322 2HG LYS 44 1HG LYS 44 23.307 -6.988 4.402 323 1HD LYS 44 2HD LYS 44 23.793 -7.914 2.198 324 2HD LYS 44 1HD LYS 44 22.222 -8.504 2.742 325 1HE LYS 44 2HE LYS 44 21.043 -7.106 1.272 326 2HE LYS 44 1HE LYS 44 22.404 -6.001 1.081 327 1HZ LYS 44 1HZ LYS 44 23.245 -8.524 0.256 328 2HZ LYS 44 2HZ LYS 44 23.010 -7.138 -0.699 329 3HZ LYS 44 3HZ LYS 44 21.740 -8.245 -0.474 330 H LYS 45 H LYS 45 20.437 -3.549 3.673 331 HA LYS 45 HA LYS 45 22.889 -1.926 3.803 332 1HB LYS 45 2HB LYS 45 21.558 -2.685 1.618 333 2HB LYS 45 1HB LYS 45 20.640 -1.223 1.981 334 1HG LYS 45 2HG LYS 45 22.352 -0.351 0.668 335 2HG LYS 45 1HG LYS 45 23.036 -0.158 2.282 336 1HD LYS 45 2HD LYS 45 24.262 -2.274 2.036 337 2HD LYS 45 1HD LYS 45 23.559 -2.506 0.435 338 1HE LYS 45 2HE LYS 45 25.741 -1.564 0.094 339 2HE LYS 45 1HE LYS 45 24.579 -0.276 -0.220 340 1HZ LYS 45 1HZ LYS 45 25.999 -0.706 2.353 341 2HZ LYS 45 2HZ LYS 45 24.927 0.563 1.999 342 3HZ LYS 45 3HZ LYS 45 26.418 0.457 1.192 343 H LYS 46 H LYS 46 19.913 -2.145 5.271 344 HA LYS 46 HA LYS 46 18.627 -0.713 6.526 345 1HB LYS 46 2HB LYS 46 21.399 0.271 6.741 346 2HB LYS 46 1HB LYS 46 20.156 1.454 7.156 347 1HG LYS 46 2HG LYS 46 20.024 -1.350 8.249 348 2HG LYS 46 1HG LYS 46 21.024 -0.126 9.033 349 1HD LYS 46 2HD LYS 46 19.218 1.079 9.763 350 2HD LYS 46 1HD LYS 46 18.251 0.689 8.339 351 1HE LYS 46 2HE LYS 46 17.613 -0.368 10.657 352 2HE LYS 46 1HE LYS 46 17.563 -1.368 9.204 353 1HZ LYS 46 1HZ LYS 46 20.088 -1.204 10.672 354 2HZ LYS 46 2HZ LYS 46 19.423 -2.500 9.798 355 3HZ LYS 46 3HZ LYS 46 18.841 -2.131 11.351 356 H GLN 47 H GLN 47 18.929 -0.320 3.528 357 HA GLN 47 HA GLN 47 18.310 2.544 3.298 358 1HB GLN 47 2HB GLN 47 18.588 2.271 0.932 359 2HB GLN 47 1HB GLN 47 19.926 1.426 1.712 360 1HG GLN 47 2HG GLN 47 18.427 -0.670 1.597 361 2HG GLN 47 1HG GLN 47 17.451 0.246 0.451 362 1HE2 GLN 47 1HE2 GLN 47 20.160 1.627 -0.356 363 2HE2 GLN 47 2HE2 GLN 47 20.841 0.506 -1.433 364 H TRP 48 H TRP 48 16.283 3.257 3.128 365 HA TRP 48 HA TRP 48 14.091 1.355 3.091 366 1HB TRP 48 2HB TRP 48 14.215 4.367 3.311 367 2HB TRP 48 1HB TRP 48 12.700 3.465 3.264 368 HD1 TRP 48 HD TRP 48 15.431 1.618 4.983 369 HE1 TRP 48 1HE TRP 48 15.073 1.671 7.535 370 HE3 TRP 48 3HE TRP 48 11.754 5.149 5.284 371 HZ2 TRP 48 2HZ TRP 48 13.442 3.032 9.451 372 HZ3 TRP 48 3HZ TRP 48 10.817 5.804 7.483 373 HH2 TRP 48 HH TRP 48 11.655 4.751 9.566 374 H ALA 49 H ALA 49 12.369 1.395 1.566 375 HA ALA 49 HA ALA 49 12.785 2.842 -0.939 376 1HB ALA 49 1HB ALA 49 12.349 0.586 -2.156 377 2HB ALA 49 2HB ALA 49 12.929 -0.148 -0.661 378 3HB ALA 49 3HB ALA 49 13.979 0.932 -1.577 379 H TYR 50 H TYR 50 10.896 3.146 -2.109 380 HA TYR 50 HA TYR 50 8.433 2.054 -0.885 381 1HB TYR 50 2HB TYR 50 9.000 4.846 -1.889 382 2HB TYR 50 1HB TYR 50 7.365 4.241 -1.618 383 HD1 TYR 50 1HD TYR 50 6.918 3.134 0.719 384 HD2 TYR 50 2HD TYR 50 10.179 5.804 -0.109 385 HE1 TYR 50 1HE TYR 50 7.137 3.616 3.141 386 HE2 TYR 50 2HE TYR 50 10.398 6.286 2.314 387 HH TYR 50 HH TYR 50 8.098 5.685 4.522 388 H TYR 51 H TYR 51 6.939 1.221 -2.242 389 HA TYR 51 HA TYR 51 7.438 1.486 -5.147 390 1HB TYR 51 2HB TYR 51 7.979 -0.761 -4.582 391 2HB TYR 51 1HB TYR 51 6.571 -0.912 -3.531 392 HD1 TYR 51 1HD TYR 51 4.436 -1.517 -4.397 393 HD2 TYR 51 2HD TYR 51 7.641 -0.511 -7.073 394 HE1 TYR 51 1HE TYR 51 3.085 -2.321 -6.316 395 HE2 TYR 51 2HE TYR 51 6.291 -1.315 -8.991 396 HH TYR 51 HH TYR 51 2.929 -2.119 -8.664 397 H ASN 52 H ASN 52 5.837 2.447 -6.213 398 HA ASN 52 HA ASN 52 3.241 2.779 -4.901 399 1HB ASN 52 2HB ASN 52 4.334 4.769 -5.846 400 2HB ASN 52 1HB ASN 52 4.339 4.010 -7.439 401 1HD2 ASN 52 1HD2 ASN 52 2.998 6.306 -7.544 402 2HD2 ASN 52 2HD2 ASN 52 1.315 6.093 -7.457 403 H ASP 53 H ASP 53 1.445 1.737 -5.503 404 HA ASP 53 HA ASP 53 1.603 -0.012 -7.877 405 1HB ASP 53 2HB ASP 53 -0.079 -1.387 -6.823 406 2HB ASP 53 1HB ASP 53 1.208 -1.095 -5.655 407 H THR 54 H THR 54 -0.337 2.430 -6.242 408 HA THR 54 HA THR 54 -2.634 2.349 -7.845 409 HB THR 54 HB THR 54 -2.810 4.819 -7.199 410 HG1 THR 54 1HG THR 54 -1.193 5.681 -6.158 411 1HG2 THR 54 1HG2 THR 54 -2.352 2.735 -5.047 412 2HG2 THR 54 2HG2 THR 54 -3.866 3.026 -5.903 413 3HG2 THR 54 3HG2 THR 54 -3.214 4.257 -4.821 414 H THR 55 H THR 55 -2.865 2.669 -9.955 415 HA THR 55 HA THR 55 -0.775 4.107 -11.430 416 HB THR 55 HB THR 55 -1.904 3.171 -13.436 417 HG1 THR 55 1HG THR 55 -3.482 1.724 -11.596 418 1HG2 THR 55 1HG2 THR 55 -0.117 1.944 -12.104 419 2HG2 THR 55 2HG2 THR 55 -1.156 0.922 -13.099 420 3HG2 THR 55 3HG2 THR 55 -1.426 1.026 -11.359 421 H GLN 56 H GLN 56 -3.208 5.172 -9.754 422 HA GLN 56 HA GLN 56 -4.069 7.124 -11.804 423 1HB GLN 56 2HB GLN 56 -6.151 7.237 -10.149 424 2HB GLN 56 1HB GLN 56 -6.081 6.064 -11.465 425 1HG GLN 56 2HG GLN 56 -4.977 5.419 -8.733 426 2HG GLN 56 1HG GLN 56 -6.681 5.178 -9.112 427 1HE2 GLN 56 1HE2 GLN 56 -6.471 4.286 -11.807 428 2HE2 GLN 56 2HE2 GLN 56 -5.658 2.796 -11.822 429 H TYR 57 H TYR 57 -2.682 6.541 -8.744 430 HA TYR 57 HA TYR 57 -2.617 9.443 -8.230 431 1HB TYR 57 2HB TYR 57 -2.808 7.564 -5.911 432 2HB TYR 57 1HB TYR 57 -3.296 9.254 -6.028 433 HD1 TYR 57 1HD TYR 57 -4.502 5.968 -5.885 434 HD2 TYR 57 2HD TYR 57 -5.169 9.696 -7.914 435 HE1 TYR 57 1HE TYR 57 -6.820 5.265 -6.413 436 HE2 TYR 57 2HE TYR 57 -7.489 8.991 -8.442 437 HH TYR 57 HH TYR 57 -9.167 7.454 -7.649 438 H GLU 58 H GLU 58 -0.721 10.207 -7.324 439 HA GLU 58 HA GLU 58 1.551 8.362 -7.437 440 1HB GLU 58 2HB GLU 58 2.702 10.725 -6.915 441 2HB GLU 58 1HB GLU 58 2.230 10.247 -8.547 442 1HG GLU 58 2HG GLU 58 0.104 11.427 -8.317 443 2HG GLU 58 1HG GLU 58 0.485 11.838 -6.646 444 H MET 59 H MET 59 2.932 7.983 -5.717 445 HA MET 59 HA MET 59 1.750 8.437 -3.077 446 1HB MET 59 2HB MET 59 3.827 6.577 -4.181 447 2HB MET 59 1HB MET 59 3.780 6.904 -2.448 448 1HG MET 59 2HG MET 59 2.387 4.906 -3.331 449 2HG MET 59 1HG MET 59 1.601 6.026 -2.219 450 1HE MET 59 1HE MET 59 -0.473 4.459 -3.518 451 2HE MET 59 2HE MET 59 -1.535 5.719 -4.139 452 3HE MET 59 3HE MET 59 -0.710 5.952 -2.601 453 H HIS 60 H HIS 60 2.403 10.055 -1.828 454 HA HIS 60 HA HIS 60 5.054 11.256 -2.334 455 1HB HIS 60 2HB HIS 60 2.589 12.425 -1.021 456 2HB HIS 60 1HB HIS 60 4.135 13.256 -1.183 457 HD1 HIS 60 1HD HIS 60 4.491 14.520 -3.315 458 HD2 HIS 60 2HD HIS 60 1.463 11.679 -3.690 459 HE1 HIS 60 1HE HIS 60 3.488 14.841 -5.618 460 HE2 HIS 60 2HE HIS 60 1.640 13.117 -5.862 461 H VAL 61 H VAL 61 6.590 10.839 -0.886 462 HA VAL 61 HA VAL 61 5.796 9.849 1.771 463 HB VAL 61 HB VAL 61 8.385 9.645 0.222 464 1HG1 VAL 61 1HG1 VAL 61 7.690 8.918 3.074 465 2HG1 VAL 61 2HG1 VAL 61 9.051 9.880 2.497 466 3HG1 VAL 61 3HG1 VAL 61 9.014 8.141 2.207 467 1HG2 VAL 61 1HG2 VAL 61 7.869 7.316 0.089 468 2HG2 VAL 61 2HG2 VAL 61 6.372 8.153 -0.322 469 3HG2 VAL 61 3HG2 VAL 61 6.581 7.459 1.285 470 H LEU 62 H LEU 62 6.164 10.996 3.563 471 HA LEU 62 HA LEU 62 8.145 13.165 3.523 472 1HB LEU 62 2HB LEU 62 5.963 14.194 2.959 473 2HB LEU 62 1HB LEU 62 5.286 13.537 4.449 474 HG LEU 62 HG LEU 62 7.143 14.758 5.691 475 1HD1 LEU 62 1HD1 LEU 62 7.930 16.807 4.270 476 2HD1 LEU 62 2HD1 LEU 62 7.540 15.782 2.888 477 3HD1 LEU 62 3HD1 LEU 62 8.752 15.261 4.059 478 1HD2 LEU 62 1HD2 LEU 62 5.137 16.374 4.085 479 2HD2 LEU 62 2HD2 LEU 62 5.982 16.958 5.518 480 3HD2 LEU 62 3HD2 LEU 62 4.847 15.615 5.650 481 H VAL 63 H VAL 63 9.435 11.970 4.927 482 HA VAL 63 HA VAL 63 8.275 11.430 7.593 483 HB VAL 63 HB VAL 63 10.686 10.124 6.313 484 1HG1 VAL 63 1HG1 VAL 63 10.760 10.170 8.766 485 2HG1 VAL 63 2HG1 VAL 63 10.426 8.532 8.204 486 3HG1 VAL 63 3HG1 VAL 63 9.119 9.528 8.843 487 1HG2 VAL 63 1HG2 VAL 63 9.297 8.253 5.835 488 2HG2 VAL 63 2HG2 VAL 63 8.372 9.651 5.287 489 3HG2 VAL 63 3HG2 VAL 63 7.978 8.880 6.824 490 H THR 64 H THR 64 9.105 12.467 9.301 491 HA THR 64 HA THR 64 11.548 14.079 8.883 492 HB THR 64 HB THR 64 9.290 14.478 10.862 493 HG1 THR 64 1HG THR 64 8.493 15.779 9.420 494 1HG2 THR 64 1HG2 THR 64 11.241 15.345 11.880 495 2HG2 THR 64 2HG2 THR 64 10.512 16.741 11.084 496 3HG2 THR 64 3HG2 THR 64 11.887 15.921 10.343 497 H PHE 65 H PHE 65 13.280 13.772 10.180 498 HA PHE 65 HA PHE 65 12.989 11.812 12.378 499 1HB PHE 65 2HB PHE 65 15.614 12.264 11.020 500 2HB PHE 65 1HB PHE 65 14.985 10.808 11.793 501 HD1 PHE 65 1HD PHE 65 13.553 9.262 10.604 502 HD2 PHE 65 2HD PHE 65 14.855 12.915 8.756 503 HE1 PHE 65 1HE PHE 65 12.759 8.434 8.406 504 HE2 PHE 65 2HE PHE 65 14.060 12.085 6.558 505 HZ PHE 65 HZ PHE 65 13.013 9.845 6.383 506 H ASN 66 H ASN 66 14.448 12.078 14.185 507 HA ASN 66 HA ASN 66 14.679 14.834 14.986 508 1HB ASN 66 2HB ASN 66 14.089 12.904 16.515 509 2HB ASN 66 1HB ASN 66 15.780 12.413 16.417 510 1HD2 ASN 66 1HD2 ASN 66 17.021 13.234 18.097 511 2HD2 ASN 66 2HD2 ASN 66 16.724 14.698 18.905 512 H GLU 67 H GLU 67 16.653 15.838 15.720 513 HA GLU 67 HA GLU 67 18.707 15.934 13.899 514 1HB GLU 67 2HB GLU 67 18.615 17.669 15.501 515 2HB GLU 67 1HB GLU 67 18.662 16.535 16.852 516 1HG GLU 67 2HG GLU 67 20.948 16.056 16.528 517 2HG GLU 67 1HG GLU 67 20.940 16.694 14.885 518 H ASP 68 H ASP 68 18.556 13.962 16.854 519 HA ASP 68 HA ASP 68 21.100 12.698 16.298 520 1HB ASP 68 2HB ASP 68 20.262 13.110 18.616 521 2HB ASP 68 1HB ASP 68 18.989 11.927 18.325 522 H CYS 69 H CYS 69 20.463 11.957 14.119 523 HA CYS 69 HA CYS 69 19.509 9.215 14.260 524 1HB CYS 69 2HB CYS 69 18.128 11.169 12.410 525 2HB CYS 69 1HB CYS 69 17.750 9.460 12.633 526 HG CYS 69 HG CYS 69 16.634 11.652 14.314 527 H ASP 70 H ASP 70 21.120 8.192 13.260 528 HA ASP 70 HA ASP 70 22.735 9.456 11.239 529 1HB ASP 70 2HB ASP 70 23.526 7.723 12.927 530 2HB ASP 70 1HB ASP 70 22.691 6.520 11.944 531 H ILE 71 H ILE 71 21.041 9.959 9.698 532 HA ILE 71 HA ILE 71 20.287 7.617 8.054 533 HB ILE 71 HB ILE 71 18.226 8.822 7.447 534 1HG1 ILE 71 2HG1 ILE 71 19.212 10.844 9.487 535 2HG1 ILE 71 1HG1 ILE 71 19.063 11.116 7.751 536 1HG2 ILE 71 1HG2 ILE 71 18.338 7.273 9.439 537 2HG2 ILE 71 2HG2 ILE 71 17.066 8.489 9.540 538 3HG2 ILE 71 3HG2 ILE 71 18.558 8.696 10.457 539 1HD1 ILE 71 1HD1 ILE 71 17.084 12.047 8.678 540 2HD1 ILE 71 2HD1 ILE 71 16.856 10.679 9.767 541 3HD1 ILE 71 3HD1 ILE 71 16.586 10.483 8.035 542 H LYS 72 H LYS 72 20.014 8.079 5.760 543 HA LYS 72 HA LYS 72 21.517 10.450 4.839 544 1HB LYS 72 2HB LYS 72 21.857 7.599 3.879 545 2HB LYS 72 1HB LYS 72 22.577 9.012 3.106 546 1HG LYS 72 2HG LYS 72 23.870 9.523 5.077 547 2HG LYS 72 1HG LYS 72 23.020 8.295 6.015 548 1HD LYS 72 2HD LYS 72 25.244 7.492 5.273 549 2HD LYS 72 1HD LYS 72 23.941 6.531 4.574 550 1HE LYS 72 2HE LYS 72 24.200 7.482 2.450 551 2HE LYS 72 1HE LYS 72 25.012 8.914 3.084 552 1HZ LYS 72 1HZ LYS 72 26.952 7.657 3.541 553 2HZ LYS 72 2HZ LYS 72 26.492 7.280 1.950 554 3HZ LYS 72 3HZ LYS 72 26.173 6.187 3.210 555 H ALA 73 H ALA 73 21.240 10.707 2.389 556 HA ALA 73 HA ALA 73 18.395 10.241 1.741 557 1HB ALA 73 1HB ALA 73 19.850 12.219 0.132 558 2HB ALA 73 2HB ALA 73 19.762 12.620 1.847 559 3HB ALA 73 3HB ALA 73 18.282 12.345 0.928 560 H LEU 74 H LEU 74 17.847 9.185 -0.094 561 HA LEU 74 HA LEU 74 20.062 8.281 -1.833 562 1HB LEU 74 2HB LEU 74 17.392 6.909 -1.525 563 2HB LEU 74 1HB LEU 74 18.879 6.259 -2.215 564 HG LEU 74 HG LEU 74 18.599 7.112 0.678 565 1HD1 LEU 74 1HD1 LEU 74 18.705 4.272 -0.342 566 2HD1 LEU 74 2HD1 LEU 74 17.171 5.108 -0.106 567 3HD1 LEU 74 3HD1 LEU 74 18.250 4.843 1.264 568 1HD2 LEU 74 1HD2 LEU 74 20.726 5.701 -0.945 569 2HD2 LEU 74 2HD2 LEU 74 20.679 5.610 0.815 570 3HD2 LEU 74 3HD2 LEU 74 20.890 7.168 0.019 571 H GLY 75 H GLY 75 19.192 7.644 -4.090 572 1HA GLY 75 2HA GLY 75 18.554 8.588 -6.113 573 2HA GLY 75 1HA GLY 75 16.968 8.535 -5.350 574 H LYS 76 H LYS 76 16.070 10.422 -6.008 575 HA LYS 76 HA LYS 76 17.598 12.901 -5.932 576 1HB LYS 76 2HB LYS 76 15.643 13.910 -6.951 577 2HB LYS 76 1HB LYS 76 16.005 12.399 -7.787 578 1HG LYS 76 2HG LYS 76 14.326 11.259 -6.292 579 2HG LYS 76 1HG LYS 76 13.877 12.851 -5.678 580 1HD LYS 76 2HD LYS 76 13.745 11.981 -8.581 581 2HD LYS 76 1HD LYS 76 12.364 12.156 -7.497 582 1HE LYS 76 2HE LYS 76 14.125 14.290 -8.671 583 2HE LYS 76 1HE LYS 76 12.364 14.213 -8.608 584 1HZ LYS 76 1HZ LYS 76 13.315 15.818 -7.029 585 2HZ LYS 76 2HZ LYS 76 14.126 14.550 -6.241 586 3HZ LYS 76 3HZ LYS 76 12.429 14.598 -6.255 587 H THR 77 H THR 77 15.992 11.090 -3.693 588 HA THR 77 HA THR 77 14.265 12.670 -2.283 589 HB THR 77 HB THR 77 16.462 11.024 -1.008 590 HG1 THR 77 1HG THR 77 15.453 9.346 -1.733 591 1HG2 THR 77 1HG2 THR 77 14.653 10.667 0.711 592 2HG2 THR 77 2HG2 THR 77 13.699 11.892 -0.126 593 3HG2 THR 77 3HG2 THR 77 15.240 12.327 0.614 594 H LYS 78 H LYS 78 14.404 14.713 -1.635 595 HA LYS 78 HA LYS 78 16.973 16.007 -1.279 596 1HB LYS 78 2HB LYS 78 14.941 17.104 -2.320 597 2HB LYS 78 1HB LYS 78 14.237 17.154 -0.704 598 1HG LYS 78 2HG LYS 78 15.281 19.233 -0.797 599 2HG LYS 78 1HG LYS 78 16.546 18.250 -0.057 600 1HD LYS 78 2HD LYS 78 17.617 17.928 -2.229 601 2HD LYS 78 1HD LYS 78 16.316 18.810 -3.028 602 1HE LYS 78 2HE LYS 78 18.265 19.930 -0.993 603 2HE LYS 78 1HE LYS 78 18.212 20.309 -2.715 604 1HZ LYS 78 1HZ LYS 78 16.859 21.959 -2.141 605 2HZ LYS 78 2HZ LYS 78 16.628 21.351 -0.571 606 3HZ LYS 78 3HZ LYS 78 15.673 20.781 -1.856 607 H LEU 79 H LEU 79 18.031 16.232 0.584 608 HA LEU 79 HA LEU 79 16.549 15.758 3.102 609 1HB LEU 79 2HB LEU 79 18.025 13.882 2.676 610 2HB LEU 79 1HB LEU 79 19.383 14.971 2.385 611 HG LEU 79 HG LEU 79 19.284 15.765 4.695 612 1HD1 LEU 79 1HD1 LEU 79 17.685 14.321 6.210 613 2HD1 LEU 79 2HD1 LEU 79 16.787 14.096 4.709 614 3HD1 LEU 79 3HD1 LEU 79 17.045 15.720 5.348 615 1HD2 LEU 79 1HD2 LEU 79 19.699 13.512 5.852 616 2HD2 LEU 79 2HD2 LEU 79 20.686 13.853 4.431 617 3HD2 LEU 79 3HD2 LEU 79 19.304 12.765 4.304 618 H GLU 80 H GLU 80 16.599 17.378 4.520 619 HA GLU 80 HA GLU 80 18.890 19.194 4.605 620 1HB GLU 80 2HB GLU 80 17.391 21.185 4.535 621 2HB GLU 80 1HB GLU 80 17.437 20.300 3.010 622 1HG GLU 80 2HG GLU 80 15.355 19.107 3.673 623 2HG GLU 80 1HG GLU 80 15.290 20.083 5.139 624 H GLN 81 H GLN 81 19.000 20.428 6.551 625 HA GLN 81 HA GLN 81 17.410 19.244 8.739 626 1HB GLN 81 2HB GLN 81 19.905 18.982 8.812 627 2HB GLN 81 1HB GLN 81 20.034 20.735 8.939 628 1HG GLN 81 2HG GLN 81 18.693 20.705 10.995 629 2HG GLN 81 1HG GLN 81 18.504 18.957 10.861 630 1HE2 GLN 81 1HE2 GLN 81 19.674 19.811 13.194 631 2HE2 GLN 81 2HE2 GLN 81 21.345 19.516 13.177 632 H GLN 82 H GLN 82 16.580 20.596 10.386 633 HA GLN 82 HA GLN 82 16.045 23.346 9.467 634 1HB GLN 82 2HB GLN 82 14.588 22.022 11.732 635 2HB GLN 82 1HB GLN 82 14.019 23.259 10.609 636 1HG GLN 82 2HG GLN 82 14.539 20.341 9.981 637 2HG GLN 82 1HG GLN 82 12.974 21.148 10.020 638 1HE2 GLN 82 1HE2 GLN 82 14.725 19.846 7.754 639 2HE2 GLN 82 2HE2 GLN 82 14.666 21.014 6.523 640 H GLU 83 H GLU 83 15.815 24.990 11.232 641 HA GLU 83 HA GLU 83 18.220 25.192 12.706 642 1HB GLU 83 2HB GLU 83 16.830 27.124 11.921 643 2HB GLU 83 1HB GLU 83 15.657 26.729 13.177 644 1HG GLU 83 2HG GLU 83 17.447 26.970 14.888 645 2HG GLU 83 1HG GLU 83 18.568 27.452 13.615 646 H ASN 84 H ASN 84 14.972 24.132 13.561 647 HA ASN 84 HA ASN 84 15.305 24.069 16.367 648 1HB ASN 84 2HB ASN 84 13.415 22.412 16.288 649 2HB ASN 84 1HB ASN 84 13.093 23.922 15.438 650 1HD2 ASN 84 1HD2 ASN 84 14.825 20.880 14.523 651 2HD2 ASN 84 2HD2 ASN 84 13.975 20.672 13.069 652 H GLY 85 H GLY 85 16.378 21.960 13.827 653 1HA GLY 85 2HA GLY 85 18.216 20.462 14.177 654 2HA GLY 85 1HA GLY 85 17.691 20.260 15.846 655 H GLU 86 H GLU 86 16.301 19.841 12.580 656 HA GLU 86 HA GLU 86 15.629 17.070 13.263 657 1HB GLU 86 2HB GLU 86 13.629 19.161 12.385 658 2HB GLU 86 1HB GLU 86 13.321 17.426 12.298 659 1HG GLU 86 2HG GLU 86 13.761 17.243 14.734 660 2HG GLU 86 1HG GLU 86 14.000 18.988 14.806 661 H TRP 87 H TRP 87 15.484 15.702 11.488 662 HA TRP 87 HA TRP 87 16.499 16.846 8.969 663 1HB TRP 87 2HB TRP 87 16.519 14.030 10.067 664 2HB TRP 87 1HB TRP 87 17.023 14.439 8.427 665 HD1 TRP 87 HD TRP 87 18.131 14.594 12.026 666 HE1 TRP 87 1HE TRP 87 20.540 15.506 12.146 667 HE3 TRP 87 3HE TRP 87 18.726 16.148 7.198 668 HZ2 TRP 87 2HZ TRP 87 22.463 16.734 10.421 669 HZ3 TRP 87 3HZ TRP 87 20.855 17.182 6.463 670 HH2 TRP 87 HH TRP 87 22.723 17.477 8.068 671 H VAL 88 H VAL 88 15.362 16.722 7.104 672 HA VAL 88 HA VAL 88 12.792 15.256 7.167 673 HB VAL 88 HB VAL 88 13.355 17.990 5.996 674 1HG1 VAL 88 1HG1 VAL 88 10.843 17.862 5.504 675 2HG1 VAL 88 2HG1 VAL 88 10.984 16.125 5.772 676 3HG1 VAL 88 3HG1 VAL 88 11.889 16.891 4.466 677 1HG2 VAL 88 1HG2 VAL 88 11.394 17.101 8.134 678 2HG2 VAL 88 2HG2 VAL 88 11.727 18.758 7.628 679 3HG2 VAL 88 3HG2 VAL 88 12.963 17.828 8.477 680 H ALA 89 H ALA 89 12.266 14.101 5.368 681 HA ALA 89 HA ALA 89 13.937 14.380 2.966 682 1HB ALA 89 1HB ALA 89 14.965 12.602 4.348 683 2HB ALA 89 2HB ALA 89 14.300 11.966 2.844 684 3HB ALA 89 3HB ALA 89 13.426 11.740 4.358 685 H SER 90 H SER 90 12.444 14.895 1.485 686 HA SER 90 HA SER 90 9.951 13.302 1.417 687 1HB SER 90 2HB SER 90 8.798 15.219 0.552 688 2HB SER 90 1HB SER 90 9.683 15.747 1.979 689 HG SER 90 HG SER 90 11.210 16.669 0.677 690 H VAL 91 H VAL 91 9.267 12.497 -0.541 691 HA VAL 91 HA VAL 91 10.538 13.224 -3.024 692 HB VAL 91 HB VAL 91 12.192 11.658 -1.906 693 1HG1 VAL 91 1HG1 VAL 91 10.304 10.219 -0.947 694 2HG1 VAL 91 2HG1 VAL 91 11.643 9.344 -1.689 695 3HG1 VAL 91 3HG1 VAL 91 10.129 9.548 -2.569 696 1HG2 VAL 91 1HG2 VAL 91 12.455 10.269 -3.976 697 2HG2 VAL 91 2HG2 VAL 91 12.207 11.980 -4.322 698 3HG2 VAL 91 3HG2 VAL 91 10.876 10.839 -4.515 699 H VAL 92 H VAL 92 9.371 12.535 -4.801 700 HA VAL 92 HA VAL 92 6.790 11.258 -4.171 701 HB VAL 92 HB VAL 92 7.575 12.804 -6.650 702 1HG1 VAL 92 1HG1 VAL 92 4.879 11.989 -5.520 703 2HG1 VAL 92 2HG1 VAL 92 5.676 11.226 -6.896 704 3HG1 VAL 92 3HG1 VAL 92 5.145 12.904 -7.004 705 1HG2 VAL 92 1HG2 VAL 92 7.695 14.320 -4.779 706 2HG2 VAL 92 2HG2 VAL 92 6.213 13.665 -4.083 707 3HG2 VAL 92 3HG2 VAL 92 6.146 14.605 -5.574 708 H VAL 93 H VAL 93 6.210 9.352 -5.051 709 HA VAL 93 HA VAL 93 8.108 8.103 -6.947 710 HB VAL 93 HB VAL 93 6.273 6.718 -4.979 711 1HG1 VAL 93 1HG1 VAL 93 6.832 5.398 -6.985 712 2HG1 VAL 93 2HG1 VAL 93 7.642 4.742 -5.561 713 3HG1 VAL 93 3HG1 VAL 93 8.547 5.715 -6.721 714 1HG2 VAL 93 1HG2 VAL 93 8.048 7.988 -3.825 715 2HG2 VAL 93 2HG2 VAL 93 9.262 7.241 -4.864 716 3HG2 VAL 93 3HG2 VAL 93 8.354 6.254 -3.719 717 H TYR 94 H TYR 94 7.347 7.552 -8.893 718 HA TYR 94 HA TYR 94 4.507 7.942 -9.450 719 1HB TYR 94 2HB TYR 94 6.855 7.376 -11.277 720 2HB TYR 94 1HB TYR 94 5.203 7.677 -11.820 721 HD1 TYR 94 1HD TYR 94 8.307 9.196 -11.205 722 HD2 TYR 94 2HD TYR 94 4.091 9.860 -10.714 723 HE1 TYR 94 1HE TYR 94 8.708 11.639 -11.063 724 HE2 TYR 94 2HE TYR 94 4.493 12.303 -10.569 725 HH TYR 94 HH TYR 94 6.716 13.862 -11.602 726 HA PRO 95 HA PRO 95 3.330 3.736 -9.499 727 1HB PRO 95 2HB PRO 95 1.975 4.148 -12.097 728 2HB PRO 95 1HB PRO 95 1.287 3.708 -10.524 729 1HG PRO 95 2HG PRO 95 0.909 6.122 -11.569 730 2HG PRO 95 1HG PRO 95 1.132 5.890 -9.827 731 1HD PRO 95 2HD PRO 95 3.108 6.895 -11.859 732 2HD PRO 95 1HD PRO 95 2.808 7.468 -10.204 733 H CYS 96 H CYS 96 3.679 1.691 -10.514 734 HA CYS 96 HA CYS 96 4.940 0.171 -11.688 735 1HB CYS 96 2HB CYS 96 3.467 1.077 -13.516 736 2HB CYS 96 1HB CYS 96 4.766 2.194 -13.931 737 HG CYS 96 HG CYS 96 4.970 -0.060 -15.351 738 H GLU 97 H GLU 97 6.239 2.500 -10.256 739 HA GLU 97 HA GLU 97 8.920 2.062 -11.361 740 1HB GLU 97 2HB GLU 97 7.712 4.792 -10.855 741 2HB GLU 97 1HB GLU 97 9.430 4.500 -11.129 742 1HG GLU 97 2HG GLU 97 8.854 3.430 -13.314 743 2HG GLU 97 1HG GLU 97 7.169 3.877 -13.049 744 H THR 98 H THR 98 10.556 2.158 -9.836 745 HA THR 98 HA THR 98 9.700 2.619 -7.041 746 HB THR 98 HB THR 98 11.773 0.588 -7.867 747 HG1 THR 98 1HG THR 98 9.968 -0.224 -8.743 748 1HG2 THR 98 1HG2 THR 98 10.148 1.096 -5.362 749 2HG2 THR 98 2HG2 THR 98 11.893 1.270 -5.551 750 3HG2 THR 98 3HG2 THR 98 11.155 -0.331 -5.608 751 H GLU 99 H GLU 99 11.048 3.803 -5.771 752 HA GLU 99 HA GLU 99 13.666 4.585 -6.888 753 1HB GLU 99 2HB GLU 99 11.639 6.471 -5.660 754 2HB GLU 99 1HB GLU 99 13.262 6.908 -6.197 755 1HG GLU 99 2HG GLU 99 11.119 5.728 -7.988 756 2HG GLU 99 1HG GLU 99 11.511 7.445 -7.894 757 H MET 100 H MET 100 15.102 5.560 -5.241 758 HA MET 100 HA MET 100 14.913 4.059 -2.752 759 1HB MET 100 2HB MET 100 17.089 5.948 -3.678 760 2HB MET 100 1HB MET 100 17.196 4.764 -2.375 761 1HG MET 100 2HG MET 100 16.744 4.130 -5.307 762 2HG MET 100 1HG MET 100 18.252 3.894 -4.422 763 1HE MET 100 1HE MET 100 17.815 1.183 -2.039 764 2HE MET 100 2HE MET 100 16.996 2.623 -1.439 765 3HE MET 100 3HE MET 100 18.475 2.788 -2.382 766 H PHE 101 H PHE 101 15.150 5.052 -0.670 767 HA PHE 101 HA PHE 101 14.082 7.809 -0.590 768 1HB PHE 101 2HB PHE 101 12.466 6.140 0.225 769 2HB PHE 101 1HB PHE 101 13.654 5.564 1.396 770 HD1 PHE 101 1HD PHE 101 12.823 6.188 3.509 771 HD2 PHE 101 2HD PHE 101 12.817 9.042 0.300 772 HE1 PHE 101 1HE PHE 101 12.081 7.956 5.082 773 HE2 PHE 101 2HE PHE 101 12.084 10.812 1.874 774 HZ PHE 101 HZ PHE 101 11.708 10.267 4.263 775 H ILE 102 H ILE 102 14.927 6.265 2.348 776 HA ILE 102 HA ILE 102 17.433 7.835 2.477 777 HB ILE 102 HB ILE 102 16.971 8.253 4.833 778 1HG1 ILE 102 2HG1 ILE 102 14.383 7.596 5.346 779 2HG1 ILE 102 1HG1 ILE 102 14.846 6.249 4.306 780 1HG2 ILE 102 1HG2 ILE 102 14.778 9.554 4.524 781 2HG2 ILE 102 2HG2 ILE 102 14.756 8.909 2.882 782 3HG2 ILE 102 3HG2 ILE 102 16.086 9.942 3.406 783 1HD1 ILE 102 1HD1 ILE 102 15.879 7.004 7.005 784 2HD1 ILE 102 2HD1 ILE 102 17.012 6.273 5.868 785 3HD1 ILE 102 3HD1 ILE 102 15.550 5.405 6.336 786 H GLU 103 H GLU 103 19.022 7.003 4.034 787 HA GLU 103 HA GLU 103 18.753 4.138 4.645 788 1HB GLU 103 2HB GLU 103 19.926 4.223 2.507 789 2HB GLU 103 1HB GLU 103 21.085 5.379 3.165 790 1HG GLU 103 2HG GLU 103 21.863 3.734 4.790 791 2HG GLU 103 1HG GLU 103 20.643 2.582 4.248 792 H GLY 104 H GLY 104 20.150 3.402 6.318 793 1HA GLY 104 2HA GLY 104 22.042 3.984 7.828 794 2HA GLY 104 1HA GLY 104 21.312 5.581 7.952 795 H ARG 105 H ARG 105 21.296 5.206 10.274 796 HA ARG 105 HA ARG 105 19.369 3.211 11.234 797 1HB ARG 105 2HB ARG 105 21.620 3.471 12.329 798 2HB ARG 105 1HB ARG 105 21.111 5.075 12.859 799 1HG ARG 105 2HG ARG 105 19.160 4.052 14.011 800 2HG ARG 105 1HG ARG 105 19.738 2.455 13.532 801 1HD ARG 105 2HD ARG 105 21.878 2.917 14.734 802 2HD ARG 105 1HD ARG 105 21.200 4.443 15.291 803 HE ARG 105 HE ARG 105 19.542 2.171 15.931 804 1HH1 ARG 105 1HH2 ARG 105 22.272 4.091 16.843 805 2HH1 ARG 105 2HH2 ARG 105 22.163 3.695 18.526 806 1HH2 ARG 105 1HH1 ARG 105 19.392 1.647 18.136 807 2HH2 ARG 105 2HH1 ARG 105 20.531 2.312 19.258 808 H VAL 106 H VAL 106 17.448 3.732 12.184 809 HA VAL 106 HA VAL 106 16.736 6.604 12.242 810 HB VAL 106 HB VAL 106 14.763 4.367 11.807 811 1HG1 VAL 106 1HG1 VAL 106 14.123 6.765 12.506 812 2HG1 VAL 106 2HG1 VAL 106 13.320 6.105 11.081 813 3HG1 VAL 106 3HG1 VAL 106 14.655 7.244 10.895 814 1HG2 VAL 106 1HG2 VAL 106 14.948 5.102 9.352 815 2HG2 VAL 106 2HG2 VAL 106 16.263 4.103 9.972 816 3HG2 VAL 106 3HG2 VAL 106 16.482 5.844 9.805 817 H ASN 107 H ASN 107 15.959 7.396 14.100 818 HA ASN 107 HA ASN 107 14.955 5.542 16.153 819 1HB ASN 107 2HB ASN 107 16.276 7.039 17.821 820 2HB ASN 107 1HB ASN 107 17.140 5.771 16.953 821 1HD2 ASN 107 1HD2 ASN 107 18.735 7.810 17.837 822 2HD2 ASN 107 2HD2 ASN 107 19.177 8.837 16.559 823 H GLY 108 H GLY 108 12.998 6.228 16.723 824 1HA GLY 108 2HA GLY 108 11.185 7.608 17.074 825 2HA GLY 108 1HA GLY 108 12.364 8.705 17.787 826 H PHE 109 H PHE 109 10.398 8.019 15.027 827 HA PHE 109 HA PHE 109 11.031 10.666 13.937 828 1HB PHE 109 2HB PHE 109 11.206 9.723 11.640 829 2HB PHE 109 1HB PHE 109 12.515 9.193 12.697 830 HD1 PHE 109 1HD PHE 109 12.255 6.933 13.896 831 HD2 PHE 109 2HD PHE 109 9.796 8.148 10.590 832 HE1 PHE 109 1HE PHE 109 11.625 4.567 13.494 833 HE2 PHE 109 2HE PHE 109 9.166 5.783 10.189 834 HZ PHE 109 HZ PHE 109 10.081 3.992 11.641 835 H LYS 110 H LYS 110 9.421 11.449 12.448 836 HA LYS 110 HA LYS 110 6.791 10.166 12.859 837 1HB LYS 110 2HB LYS 110 7.015 12.457 13.766 838 2HB LYS 110 1HB LYS 110 7.425 13.042 12.153 839 1HG LYS 110 2HG LYS 110 5.262 12.436 11.294 840 2HG LYS 110 1HG LYS 110 4.857 11.564 12.772 841 1HD LYS 110 2HD LYS 110 3.773 13.786 12.722 842 2HD LYS 110 1HD LYS 110 4.932 13.671 14.047 843 1HE LYS 110 2HE LYS 110 4.983 15.795 12.539 844 2HE LYS 110 1HE LYS 110 6.513 15.019 12.951 845 1HZ LYS 110 1HZ LYS 110 6.385 13.800 10.846 846 2HZ LYS 110 2HZ LYS 110 6.430 15.481 10.605 847 3HZ LYS 110 3HZ LYS 110 4.965 14.635 10.446 848 H SER 111 H SER 111 5.773 9.330 11.151 849 HA SER 111 HA SER 111 6.826 9.963 8.464 850 1HB SER 111 2HB SER 111 5.287 7.499 9.291 851 2HB SER 111 1HB SER 111 6.140 7.770 7.773 852 HG SER 111 HG SER 111 7.898 7.152 8.730 853 H LYS 112 H LYS 112 5.501 10.757 6.941 854 HA LYS 112 HA LYS 112 2.590 10.681 7.393 855 1HB LYS 112 2HB LYS 112 3.557 12.892 8.147 856 2HB LYS 112 1HB LYS 112 4.050 13.164 6.475 857 1HG LYS 112 2HG LYS 112 1.625 12.748 5.819 858 2HG LYS 112 1HG LYS 112 1.238 12.826 7.539 859 1HD LYS 112 2HD LYS 112 2.566 15.011 5.908 860 2HD LYS 112 1HD LYS 112 0.910 15.027 6.515 861 1HE LYS 112 2HE LYS 112 3.484 15.217 8.069 862 2HE LYS 112 1HE LYS 112 2.080 16.283 8.126 863 1HZ LYS 112 1HZ LYS 112 0.812 14.572 9.188 864 2HZ LYS 112 2HZ LYS 112 2.256 14.783 10.057 865 3HZ LYS 112 3HZ LYS 112 2.073 13.451 9.018 866 H MET 113 H MET 113 1.592 9.900 5.649 867 HA MET 113 HA MET 113 2.831 10.340 3.001 868 1HB MET 113 2HB MET 113 1.667 7.775 4.100 869 2HB MET 113 1HB MET 113 2.036 8.034 2.395 870 1HG MET 113 2HG MET 113 4.397 8.592 3.066 871 2HG MET 113 1HG MET 113 3.987 8.108 4.712 872 1HE MET 113 1HE MET 113 3.849 6.050 5.611 873 2HE MET 113 2HE MET 113 3.761 4.471 4.835 874 3HE MET 113 3HE MET 113 2.365 5.545 4.790 875 H ASP 114 H ASP 114 1.311 10.063 1.197 876 HA ASP 114 HA ASP 114 -1.528 10.205 1.767 877 1HB ASP 114 2HB ASP 114 -0.569 12.555 2.114 878 2HB ASP 114 1HB ASP 114 -0.270 12.568 0.377 879 H ALA 115 H ALA 115 -2.745 10.627 -0.371 880 HA ALA 115 HA ALA 115 -1.247 9.393 -2.606 881 1HB ALA 115 1HB ALA 115 -2.827 7.790 -1.572 882 2HB ALA 115 2HB ALA 115 -3.274 8.185 -3.231 883 3HB ALA 115 3HB ALA 115 -4.148 8.916 -1.886 884 H LEU 116 H LEU 116 -0.848 11.454 -3.507 885 HA LEU 116 HA LEU 116 -3.099 13.169 -4.181 886 1HB LEU 116 2HB LEU 116 -0.259 13.509 -5.131 887 2HB LEU 116 1HB LEU 116 -1.492 14.748 -4.888 888 HG LEU 116 HG LEU 116 -0.102 13.127 -2.736 889 1HD1 LEU 116 1HD1 LEU 116 1.053 15.143 -3.839 890 2HD1 LEU 116 2HD1 LEU 116 0.902 15.179 -2.083 891 3HD1 LEU 116 3HD1 LEU 116 -0.200 16.127 -3.081 892 1HD2 LEU 116 1HD2 LEU 116 -1.470 14.714 -1.233 893 2HD2 LEU 116 2HD2 LEU 116 -2.343 13.378 -1.984 894 3HD2 LEU 116 3HD2 LEU 116 -2.471 15.002 -2.657 895 HA PRO 117 HA PRO 117 -3.768 11.501 -8.199 896 1HB PRO 117 2HB PRO 117 -4.741 13.699 -9.493 897 2HB PRO 117 1HB PRO 117 -5.673 12.797 -8.283 898 1HG PRO 117 2HG PRO 117 -4.179 15.357 -7.998 899 2HG PRO 117 1HG PRO 117 -5.746 14.881 -7.322 900 1HD PRO 117 2HD PRO 117 -3.431 14.871 -5.861 901 2HD PRO 117 1HD PRO 117 -4.789 13.772 -5.533 902 H LEU 118 H LEU 118 -2.784 11.318 -10.212 903 HA LEU 118 HA LEU 118 -0.190 12.453 -10.513 904 1HB LEU 118 2HB LEU 118 -1.904 11.005 -12.547 905 2HB LEU 118 1HB LEU 118 -0.171 11.306 -12.683 906 HG LEU 118 HG LEU 118 -1.269 9.890 -10.267 907 1HD1 LEU 118 1HD1 LEU 118 -2.142 8.699 -12.259 908 2HD1 LEU 118 2HD1 LEU 118 -0.920 7.745 -11.418 909 3HD1 LEU 118 3HD1 LEU 118 -0.504 8.599 -12.904 910 1HD2 LEU 118 1HD2 LEU 118 1.129 10.756 -10.490 911 2HD2 LEU 118 2HD2 LEU 118 1.348 9.542 -11.749 912 3HD2 LEU 118 3HD2 LEU 118 0.965 9.045 -10.101 913 H SER 119 H SER 119 0.137 14.529 -10.988 914 HA SER 119 HA SER 119 -1.814 16.031 -12.544 915 1HB SER 119 2HB SER 119 0.778 16.843 -11.214 916 2HB SER 119 1HB SER 119 -0.288 17.951 -12.073 917 HG SER 119 HG SER 119 -1.906 16.781 -10.523 918 H GLU 120 H GLU 120 -0.268 17.821 -13.906 919 HA GLU 120 HA GLU 120 0.296 16.476 -16.308 920 1HB GLU 120 2HB GLU 120 1.198 18.592 -17.089 921 2HB GLU 120 1HB GLU 120 -0.247 18.901 -16.126 922 1HG GLU 120 2HG GLU 120 1.250 19.287 -14.139 923 2HG GLU 120 1HG GLU 120 2.632 19.174 -15.226 924 H GLU 121 H GLU 121 2.298 17.266 -13.552 925 HA GLU 121 HA GLU 121 4.848 17.015 -14.652 926 1HB GLU 121 2HB GLU 121 5.618 16.545 -12.413 927 2HB GLU 121 1HB GLU 121 4.313 17.729 -12.305 928 1HG GLU 121 2HG GLU 121 2.732 15.761 -11.947 929 2HG GLU 121 1HG GLU 121 4.169 14.761 -11.740 930 H TYR 122 H TYR 122 2.628 14.517 -13.464 931 HA TYR 122 HA TYR 122 4.405 12.330 -13.796 932 1HB TYR 122 2HB TYR 122 2.512 11.968 -12.412 933 2HB TYR 122 1HB TYR 122 1.398 12.536 -13.656 934 HD1 TYR 122 1HD TYR 122 4.004 9.904 -13.070 935 HD2 TYR 122 2HD TYR 122 0.351 10.983 -15.056 936 HE1 TYR 122 1HE TYR 122 3.808 7.599 -13.962 937 HE2 TYR 122 2HE TYR 122 0.152 8.675 -15.943 938 HH TYR 122 HH TYR 122 1.365 6.182 -14.866 939 H ARG 123 H ARG 123 1.966 13.803 -15.905 940 HA ARG 123 HA ARG 123 2.052 11.948 -18.004 941 1HB ARG 123 2HB ARG 123 1.610 14.941 -18.163 942 2HB ARG 123 1HB ARG 123 1.177 13.766 -19.407 943 1HG ARG 123 2HG ARG 123 -0.285 12.612 -17.731 944 2HG ARG 123 1HG ARG 123 0.063 13.912 -16.591 945 1HD ARG 123 2HD ARG 123 -2.026 14.434 -17.683 946 2HD ARG 123 1HD ARG 123 -0.803 15.544 -18.295 947 HE ARG 123 HE ARG 123 -1.075 14.586 -20.389 948 1HH1 ARG 123 1HH2 ARG 123 -2.330 12.518 -17.914 949 2HH1 ARG 123 2HH2 ARG 123 -3.016 11.377 -19.021 950 1HH2 ARG 123 1HH1 ARG 123 -1.970 13.093 -21.848 951 2HH2 ARG 123 2HH1 ARG 123 -2.811 11.702 -21.249 952 H GLN 124 H GLN 124 4.034 14.822 -17.378 953 HA GLN 124 HA GLN 124 5.574 14.616 -19.773 954 1HB GLN 124 2HB GLN 124 6.086 16.029 -17.148 955 2HB GLN 124 1HB GLN 124 7.133 16.173 -18.561 956 1HG GLN 124 2HG GLN 124 5.256 17.028 -19.892 957 2HG GLN 124 1HG GLN 124 4.177 16.842 -18.511 958 1HE2 GLN 124 1HE2 GLN 124 4.564 19.402 -19.702 959 2HE2 GLN 124 2HE2 GLN 124 5.408 20.385 -18.606 960 H HIS 125 H HIS 125 5.968 13.426 -16.471 961 HA HIS 125 HA HIS 125 8.605 12.529 -16.594 962 1HB HIS 125 2HB HIS 125 7.570 12.442 -14.479 963 2HB HIS 125 1HB HIS 125 6.186 11.538 -15.096 964 HD1 HIS 125 1HD HIS 125 9.738 11.126 -13.978 965 HD2 HIS 125 2HD HIS 125 6.639 8.742 -15.425 966 HE1 HIS 125 1HE HIS 125 10.434 8.724 -13.575 967 HE2 HIS 125 2HE HIS 125 8.569 7.258 -14.483 968 H GLN 126 H GLN 126 5.607 10.853 -17.517 969 HA GLN 126 HA GLN 126 6.903 8.454 -18.355 970 1HB GLN 126 2HB GLN 126 4.185 9.584 -19.063 971 2HB GLN 126 1HB GLN 126 4.725 7.946 -19.430 972 1HG GLN 126 2HG GLN 126 4.808 9.024 -16.614 973 2HG GLN 126 1HG GLN 126 3.344 8.294 -17.270 974 1HE2 GLN 126 1HE2 GLN 126 6.834 7.588 -16.749 975 2HE2 GLN 126 2HE2 GLN 126 6.620 5.912 -16.588 976 H ALA 127 H ALA 127 6.003 11.458 -19.951 977 HA ALA 127 HA ALA 127 6.484 10.549 -22.616 978 1HB ALA 127 1HB ALA 127 6.662 13.409 -21.672 979 2HB ALA 127 2HB ALA 127 5.119 12.587 -21.895 980 3HB ALA 127 3HB ALA 127 6.203 12.814 -23.266 981 H GLU 128 H GLU 128 8.369 12.663 -20.440 982 HA GLU 128 HA GLU 128 10.659 12.760 -22.115 983 1HB GLU 128 2HB GLU 128 11.754 13.831 -20.283 984 2HB GLU 128 1HB GLU 128 10.075 14.369 -20.243 985 1HG GLU 128 2HG GLU 128 10.398 13.787 -18.017 986 2HG GLU 128 1HG GLU 128 9.757 12.279 -18.667 987 H LYS 129 H LYS 129 9.434 10.364 -19.998 988 HA LYS 129 HA LYS 129 11.547 9.056 -18.909 989 1HB LYS 129 2HB LYS 129 9.108 8.324 -18.948 990 2HB LYS 129 1HB LYS 129 9.457 7.575 -20.507 991 1HG LYS 129 2HG LYS 129 11.223 6.213 -19.484 992 2HG LYS 129 1HG LYS 129 10.940 6.989 -17.926 993 1HD LYS 129 2HD LYS 129 9.784 4.834 -17.987 994 2HD LYS 129 1HD LYS 129 8.598 6.141 -17.964 995 1HE LYS 129 2HE LYS 129 7.994 5.818 -20.185 996 2HE LYS 129 1HE LYS 129 9.548 5.100 -20.610 997 1HZ LYS 129 1HZ LYS 129 8.295 3.527 -18.641 998 2HZ LYS 129 2HZ LYS 129 8.722 3.100 -20.228 999 3HZ LYS 129 3HZ LYS 129 7.201 3.786 -19.912 1000 H ASP 130 H ASP 130 10.449 8.597 -22.275 1001 HA ASP 130 HA ASP 130 11.513 7.583 -24.065 1002 1HB ASP 130 2HB ASP 130 12.483 9.883 -23.965 1003 2HB ASP 130 1HB ASP 130 13.820 9.235 -23.016 1004 H LYS 131 H LYS 131 11.513 5.901 -21.822 1005 HA LYS 131 HA LYS 131 12.568 4.070 -20.908 1006 1HB LYS 131 2HB LYS 131 12.449 3.457 -23.338 1007 2HB LYS 131 1HB LYS 131 14.088 4.083 -23.524 1008 1HG LYS 131 2HG LYS 131 14.877 2.493 -21.791 1009 2HG LYS 131 1HG LYS 131 13.243 1.841 -21.665 1010 1HD LYS 131 2HD LYS 131 13.328 1.265 -24.093 1011 2HD LYS 131 1HD LYS 131 15.005 1.810 -24.132 1012 1HE LYS 131 2HE LYS 131 13.939 -0.390 -22.338 1013 2HE LYS 131 1HE LYS 131 14.834 -0.652 -23.834 1014 1HZ LYS 131 1HZ LYS 131 16.347 -0.768 -22.011 1015 2HZ LYS 131 2HZ LYS 131 15.807 0.717 -21.387 1016 3HZ LYS 131 3HZ LYS 131 16.662 0.669 -22.855 Start of MODEL 4 1 H MET 1 1H MET 1 1.456 -21.743 17.293 2 HA MET 1 HA MET 1 2.085 -22.953 14.738 3 1HB MET 1 2HB MET 1 0.011 -21.638 15.317 4 2HB MET 1 1HB MET 1 1.034 -20.210 15.484 5 1HG MET 1 2HG MET 1 1.839 -20.588 13.135 6 2HG MET 1 1HG MET 1 0.652 -21.885 12.987 7 1HE MET 1 1HE MET 1 -1.962 -20.483 14.734 8 2HE MET 1 2HE MET 1 -1.625 -21.739 13.545 9 3HE MET 1 3HE MET 1 -2.699 -20.406 13.128 10 H GLY 2 H GLY 2 3.110 -20.138 16.668 11 1HA GLY 2 2HA GLY 2 4.895 -18.995 14.857 12 2HA GLY 2 1HA GLY 2 5.033 -18.874 16.609 13 H CYS 3 H CYS 3 5.301 -21.738 17.025 14 HA CYS 3 HA CYS 3 8.089 -21.998 16.935 15 1HB CYS 3 2HB CYS 3 6.738 -23.303 18.481 16 2HB CYS 3 1HB CYS 3 5.958 -24.138 17.139 17 HG CYS 3 HG CYS 3 8.014 -25.562 18.095 18 H GLY 4 H GLY 4 5.836 -24.098 15.139 19 1HA GLY 4 2HA GLY 4 7.703 -25.078 13.312 20 2HA GLY 4 1HA GLY 4 5.964 -25.025 13.036 21 H ALA 5 H ALA 5 5.714 -22.164 13.200 22 HA ALA 5 HA ALA 5 5.586 -20.452 11.654 23 1HB ALA 5 1HB ALA 5 7.780 -19.513 11.066 24 2HB ALA 5 2HB ALA 5 8.564 -21.003 11.590 25 3HB ALA 5 3HB ALA 5 7.733 -19.984 12.765 26 H SER 6 H SER 6 5.565 -23.345 10.638 27 HA SER 6 HA SER 6 6.811 -23.524 8.140 28 1HB SER 6 2HB SER 6 4.141 -24.703 8.938 29 2HB SER 6 1HB SER 6 5.179 -25.257 7.628 30 HG SER 6 HG SER 6 5.411 -25.580 10.374 31 H SER 7 H SER 7 3.793 -21.993 9.108 32 HA SER 7 HA SER 7 2.696 -21.553 6.554 33 1HB SER 7 2HB SER 7 2.438 -19.829 9.028 34 2HB SER 7 1HB SER 7 1.371 -19.796 7.627 35 HG SER 7 HG SER 7 1.101 -22.133 8.098 36 H GLU 8 H GLU 8 2.707 -19.696 5.221 37 HA GLU 8 HA GLU 8 5.220 -18.557 4.727 38 1HB GLU 8 2HB GLU 8 3.332 -18.713 3.086 39 2HB GLU 8 1HB GLU 8 2.540 -17.391 3.945 40 1HG GLU 8 2HG GLU 8 4.542 -15.969 3.552 41 2HG GLU 8 1HG GLU 8 5.268 -17.282 2.626 42 H ASN 9 H ASN 9 2.529 -17.460 6.705 43 HA ASN 9 HA ASN 9 2.321 -15.721 8.192 44 1HB ASN 9 2HB ASN 9 4.448 -16.881 9.020 45 2HB ASN 9 1HB ASN 9 5.334 -15.593 8.205 46 1HD2 ASN 9 1HD2 ASN 9 5.800 -15.494 10.825 47 2HD2 ASN 9 2HD2 ASN 9 4.858 -14.328 11.620 48 H SER 10 H SER 10 2.059 -14.979 5.554 49 HA SER 10 HA SER 10 3.708 -12.627 5.073 50 1HB SER 10 2HB SER 10 3.034 -14.087 3.194 51 2HB SER 10 1HB SER 10 1.345 -13.712 3.522 52 HG SER 10 HG SER 10 3.370 -11.805 2.934 53 H SER 11 H SER 11 2.992 -10.510 5.103 54 HA SER 11 HA SER 11 0.284 -10.030 6.179 55 1HB SER 11 2HB SER 11 1.908 -9.871 8.027 56 2HB SER 11 1HB SER 11 2.830 -8.681 7.112 57 HG SER 11 HG SER 11 1.502 -7.479 8.341 58 H VAL 12 H VAL 12 1.786 -9.768 3.508 59 HA VAL 12 HA VAL 12 0.756 -7.087 2.907 60 HB VAL 12 HB VAL 12 3.459 -7.945 1.883 61 1HG1 VAL 12 1HG1 VAL 12 2.257 -5.188 2.230 62 2HG1 VAL 12 2HG1 VAL 12 2.057 -6.135 0.756 63 3HG1 VAL 12 3HG1 VAL 12 3.668 -5.639 1.273 64 1HG2 VAL 12 1HG2 VAL 12 4.343 -6.324 3.633 65 2HG2 VAL 12 2HG2 VAL 12 3.736 -7.851 4.271 66 3HG2 VAL 12 3HG2 VAL 12 2.751 -6.393 4.388 67 H THR 13 H THR 13 -0.074 -6.881 0.859 68 HA THR 13 HA THR 13 0.218 -9.184 -0.963 69 HB THR 13 HB THR 13 -1.948 -9.262 0.350 70 HG1 THR 13 1HG THR 13 -2.039 -8.908 -2.461 71 1HG2 THR 13 1HG2 THR 13 -2.746 -6.947 -1.413 72 2HG2 THR 13 2HG2 THR 13 -2.178 -6.707 0.239 73 3HG2 THR 13 3HG2 THR 13 -3.639 -7.648 -0.065 74 H TYR 14 H TYR 14 -0.180 -8.700 -3.192 75 HA TYR 14 HA TYR 14 -0.043 -5.817 -3.839 76 1HB TYR 14 2HB TYR 14 1.465 -8.070 -5.190 77 2HB TYR 14 1HB TYR 14 1.493 -6.376 -5.678 78 HD1 TYR 14 1HD TYR 14 2.623 -4.683 -4.320 79 HD2 TYR 14 2HD TYR 14 2.571 -8.813 -3.141 80 HE1 TYR 14 1HE TYR 14 4.418 -4.234 -2.670 81 HE2 TYR 14 2HE TYR 14 4.368 -8.364 -1.490 82 HH TYR 14 HH TYR 14 5.232 -6.383 -0.210 83 H VAL 15 H VAL 15 -0.687 -5.351 -6.114 84 HA VAL 15 HA VAL 15 -2.550 -7.317 -7.252 85 HB VAL 15 HB VAL 15 -4.214 -6.169 -6.182 86 1HG1 VAL 15 1HG1 VAL 15 -4.019 -3.752 -5.566 87 2HG1 VAL 15 2HG1 VAL 15 -2.413 -3.730 -6.295 88 3HG1 VAL 15 3HG1 VAL 15 -2.728 -4.739 -4.882 89 1HG2 VAL 15 1HG2 VAL 15 -4.298 -5.718 -8.713 90 2HG2 VAL 15 2HG2 VAL 15 -3.704 -4.102 -8.331 91 3HG2 VAL 15 3HG2 VAL 15 -5.255 -4.646 -7.691 92 H ASN 16 H ASN 16 -1.396 -3.959 -7.657 93 HA ASN 16 HA ASN 16 -1.607 -4.038 -10.505 94 1HB ASN 16 2HB ASN 16 -0.077 -2.147 -8.703 95 2HB ASN 16 1HB ASN 16 -0.392 -1.890 -10.419 96 1HD2 ASN 16 1HD2 ASN 16 -1.461 -0.754 -7.586 97 2HD2 ASN 16 2HD2 ASN 16 -3.116 -0.566 -7.917 98 H GLY 17 H GLY 17 0.819 -4.989 -8.228 99 1HA GLY 17 2HA GLY 17 2.359 -6.604 -9.674 100 2HA GLY 17 1HA GLY 17 2.947 -5.039 -10.228 101 H ARG 18 H ARG 18 4.612 -6.858 -8.928 102 HA ARG 18 HA ARG 18 4.857 -5.947 -6.157 103 1HB ARG 18 2HB ARG 18 6.202 -8.095 -7.786 104 2HB ARG 18 1HB ARG 18 6.831 -7.601 -6.214 105 1HG ARG 18 2HG ARG 18 5.286 -9.529 -6.012 106 2HG ARG 18 1HG ARG 18 4.667 -8.108 -5.168 107 1HD ARG 18 2HD ARG 18 3.025 -9.415 -6.682 108 2HD ARG 18 1HD ARG 18 3.066 -7.662 -6.835 109 HE ARG 18 HE ARG 18 3.947 -7.916 -8.974 110 1HH1 ARG 18 1HH2 ARG 18 4.101 -10.873 -7.184 111 2HH1 ARG 18 2HH2 ARG 18 4.584 -11.833 -8.542 112 1HH2 ARG 18 1HH1 ARG 18 4.581 -9.168 -10.761 113 2HH2 ARG 18 2HH1 ARG 18 4.856 -10.867 -10.568 114 HA PRO 19 HA PRO 19 7.788 -2.759 -6.863 115 1HB PRO 19 2HB PRO 19 9.298 -3.994 -4.604 116 2HB PRO 19 1HB PRO 19 8.745 -2.322 -4.812 117 1HG PRO 19 2HG PRO 19 7.513 -3.989 -3.147 118 2HG PRO 19 1HG PRO 19 6.615 -2.794 -4.096 119 1HD PRO 19 2HD PRO 19 6.780 -5.753 -4.467 120 2HD PRO 19 1HD PRO 19 5.446 -4.641 -4.839 121 H THR 20 H THR 20 9.869 -2.406 -7.736 122 HA THR 20 HA THR 20 11.098 -4.737 -8.953 123 HB THR 20 HB THR 20 11.903 -1.822 -9.113 124 HG1 THR 20 1HG THR 20 9.762 -2.336 -9.866 125 1HG2 THR 20 1HG2 THR 20 12.911 -2.678 -11.297 126 2HG2 THR 20 2HG2 THR 20 12.656 -4.303 -10.665 127 3HG2 THR 20 3HG2 THR 20 13.727 -3.187 -9.819 128 H PHE 21 H PHE 21 11.604 -2.709 -6.210 129 HA PHE 21 HA PHE 21 14.383 -3.598 -5.890 130 1HB PHE 21 2HB PHE 21 13.907 -1.225 -5.490 131 2HB PHE 21 1HB PHE 21 12.723 -1.662 -4.258 132 HD1 PHE 21 1HD PHE 21 13.406 -1.845 -2.031 133 HD2 PHE 21 2HD PHE 21 16.316 -2.237 -5.165 134 HE1 PHE 21 1HE PHE 21 15.213 -1.972 -0.337 135 HE2 PHE 21 2HE PHE 21 18.123 -2.365 -3.472 136 HZ PHE 21 HZ PHE 21 17.572 -2.232 -1.057 137 H VAL 22 H VAL 22 15.059 -4.938 -4.262 138 HA VAL 22 HA VAL 22 12.928 -6.370 -2.819 139 HB VAL 22 HB VAL 22 15.290 -7.750 -2.390 140 1HG1 VAL 22 1HG1 VAL 22 14.351 -9.322 -4.075 141 2HG1 VAL 22 2HG1 VAL 22 13.223 -8.068 -4.589 142 3HG1 VAL 22 3HG1 VAL 22 13.119 -8.733 -2.959 143 1HG2 VAL 22 1HG2 VAL 22 15.227 -6.791 -5.268 144 2HG2 VAL 22 2HG2 VAL 22 16.397 -7.896 -4.547 145 3HG2 VAL 22 3HG2 VAL 22 16.366 -6.202 -4.058 146 H GLY 23 H GLY 23 13.380 -7.040 -0.589 147 1HA GLY 23 2HA GLY 23 15.423 -5.691 0.924 148 2HA GLY 23 1HA GLY 23 13.825 -4.995 1.171 149 H GLU 24 H GLU 24 13.546 -5.641 3.286 150 HA GLU 24 HA GLU 24 13.218 -8.549 3.686 151 1HB GLU 24 2HB GLU 24 15.333 -7.664 4.744 152 2HB GLU 24 1HB GLU 24 14.314 -6.663 5.780 153 1HG GLU 24 2HG GLU 24 14.793 -8.682 6.999 154 2HG GLU 24 1HG GLU 24 13.112 -8.774 6.479 155 H GLU 25 H GLU 25 12.746 -5.681 5.742 156 HA GLU 25 HA GLU 25 10.175 -6.623 6.619 157 1HB GLU 25 2HB GLU 25 11.651 -5.335 8.108 158 2HB GLU 25 1HB GLU 25 11.521 -3.941 7.033 159 1HG GLU 25 2HG GLU 25 9.100 -3.848 7.404 160 2HG GLU 25 1HG GLU 25 9.186 -5.279 8.430 161 H VAL 26 H VAL 26 8.282 -6.310 5.650 162 HA VAL 26 HA VAL 26 7.980 -3.987 3.848 163 HB VAL 26 HB VAL 26 6.643 -6.623 3.293 164 1HG1 VAL 26 1HG1 VAL 26 7.466 -4.263 1.573 165 2HG1 VAL 26 2HG1 VAL 26 5.831 -4.599 2.144 166 3HG1 VAL 26 3HG1 VAL 26 6.609 -5.694 1.003 167 1HG2 VAL 26 1HG2 VAL 26 8.952 -7.240 3.308 168 2HG2 VAL 26 2HG2 VAL 26 9.435 -5.724 2.546 169 3HG2 VAL 26 3HG2 VAL 26 8.556 -6.937 1.616 170 H THR 27 H THR 27 6.247 -2.768 4.261 171 HA THR 27 HA THR 27 3.882 -3.936 5.522 172 HB THR 27 HB THR 27 5.178 -3.281 7.459 173 HG1 THR 27 1HG THR 27 3.782 -1.331 8.025 174 1HG2 THR 27 1HG2 THR 27 6.741 -1.747 6.407 175 2HG2 THR 27 2HG2 THR 27 5.908 -0.904 7.713 176 3HG2 THR 27 3HG2 THR 27 5.436 -0.619 6.038 177 H LYS 28 H LYS 28 2.052 -2.418 5.538 178 HA LYS 28 HA LYS 28 2.154 -0.693 3.164 179 1HB LYS 28 2HB LYS 28 -0.288 -0.781 3.236 180 2HB LYS 28 1HB LYS 28 0.379 -2.413 3.299 181 1HG LYS 28 2HG LYS 28 0.203 -2.292 5.818 182 2HG LYS 28 1HG LYS 28 -0.683 -0.780 5.618 183 1HD LYS 28 2HD LYS 28 -2.296 -2.024 4.124 184 2HD LYS 28 1HD LYS 28 -1.481 -3.517 4.594 185 1HE LYS 28 2HE LYS 28 -2.784 -1.560 6.510 186 2HE LYS 28 1HE LYS 28 -3.479 -3.097 5.997 187 1HZ LYS 28 1HZ LYS 28 -1.191 -4.003 6.817 188 2HZ LYS 28 2HZ LYS 28 -2.446 -3.706 7.924 189 3HZ LYS 28 3HZ LYS 28 -1.181 -2.585 7.748 190 H GLY 29 H GLY 29 1.958 1.471 3.255 191 1HA GLY 29 2HA GLY 29 2.209 2.828 5.754 192 2HA GLY 29 1HA GLY 29 1.998 3.584 4.178 193 H PHE 30 H PHE 30 -0.342 3.046 3.258 194 HA PHE 30 HA PHE 30 -2.190 4.255 5.116 195 1HB PHE 30 2HB PHE 30 -2.662 3.182 2.325 196 2HB PHE 30 1HB PHE 30 -3.757 4.220 3.239 197 HD1 PHE 30 1HD PHE 30 -3.342 6.581 3.488 198 HD2 PHE 30 2HD PHE 30 -0.462 4.046 1.556 199 HE1 PHE 30 1HE PHE 30 -2.123 8.583 2.677 200 HE2 PHE 30 2HE PHE 30 0.757 6.048 0.745 201 HZ PHE 30 HZ PHE 30 -0.074 8.317 1.306 202 H GLU 31 H GLU 31 -4.029 3.347 6.005 203 HA GLU 31 HA GLU 31 -3.991 0.421 6.205 204 1HB GLU 31 2HB GLU 31 -5.465 0.725 8.121 205 2HB GLU 31 1HB GLU 31 -4.062 1.783 8.281 206 1HG GLU 31 2HG GLU 31 -5.436 3.628 7.250 207 2HG GLU 31 1HG GLU 31 -6.835 2.560 7.342 208 H LYS 32 H LYS 32 -4.995 1.921 3.821 209 HA LYS 32 HA LYS 32 -7.768 0.886 3.836 210 1HB LYS 32 2HB LYS 32 -6.718 3.222 2.221 211 2HB LYS 32 1HB LYS 32 -8.387 2.656 2.299 212 1HG LYS 32 2HG LYS 32 -6.823 3.633 4.704 213 2HG LYS 32 1HG LYS 32 -7.924 4.645 3.769 214 1HD LYS 32 2HD LYS 32 -9.685 2.811 4.194 215 2HD LYS 32 1HD LYS 32 -8.580 2.214 5.433 216 1HE LYS 32 2HE LYS 32 -10.018 4.860 5.311 217 2HE LYS 32 1HE LYS 32 -9.981 3.685 6.626 218 1HZ LYS 32 1HZ LYS 32 -7.544 4.172 6.789 219 2HZ LYS 32 2HZ LYS 32 -8.567 5.448 7.247 220 3HZ LYS 32 3HZ LYS 32 -7.795 5.476 5.734 221 H ASP 33 H ASP 33 -8.532 -0.007 1.847 222 HA ASP 33 HA ASP 33 -8.343 -1.379 0.015 223 1HB ASP 33 2HB ASP 33 -7.488 0.891 -0.869 224 2HB ASP 33 1HB ASP 33 -5.881 0.177 -0.747 225 H ASN 34 H ASN 34 -5.909 -2.105 -1.369 226 HA ASN 34 HA ASN 34 -5.145 -4.351 0.179 227 1HB ASN 34 2HB ASN 34 -3.800 -3.119 -2.237 228 2HB ASN 34 1HB ASN 34 -3.463 -4.722 -1.588 229 1HD2 ASN 34 1HD2 ASN 34 -6.061 -5.647 -1.012 230 2HD2 ASN 34 2HD2 ASN 34 -6.950 -5.752 -2.454 231 H GLY 35 H GLY 35 -3.760 -1.154 -0.262 232 1HA GLY 35 2HA GLY 35 -2.425 -0.881 2.075 233 2HA GLY 35 1HA GLY 35 -1.289 -1.807 1.100 234 H LEU 36 H LEU 36 -2.433 -0.426 -1.355 235 HA LEU 36 HA LEU 36 -1.915 1.380 -2.674 236 1HB LEU 36 2HB LEU 36 -1.683 2.965 -0.115 237 2HB LEU 36 1HB LEU 36 -2.108 3.555 -1.721 238 HG LEU 36 HG LEU 36 -3.755 1.687 0.008 239 1HD1 LEU 36 1HD1 LEU 36 -4.481 4.417 -1.070 240 2HD1 LEU 36 2HD1 LEU 36 -3.701 4.205 0.498 241 3HD1 LEU 36 3HD1 LEU 36 -5.290 3.499 0.199 242 1HD2 LEU 36 1HD2 LEU 36 -5.432 2.132 -1.932 243 2HD2 LEU 36 2HD2 LEU 36 -4.151 0.949 -2.199 244 3HD2 LEU 36 3HD2 LEU 36 -4.002 2.575 -2.865 245 H LEU 37 H LEU 37 -0.053 2.335 0.195 246 HA LEU 37 HA LEU 37 2.385 2.246 -1.468 247 1HB LEU 37 2HB LEU 37 1.848 4.459 -0.572 248 2HB LEU 37 1HB LEU 37 1.804 3.801 1.064 249 HG LEU 37 HG LEU 37 4.173 3.143 0.868 250 1HD1 LEU 37 1HD1 LEU 37 3.730 4.132 -1.927 251 2HD1 LEU 37 2HD1 LEU 37 4.625 2.717 -1.370 252 3HD1 LEU 37 3HD1 LEU 37 5.327 4.326 -1.203 253 1HD2 LEU 37 1HD2 LEU 37 5.131 5.463 0.750 254 2HD2 LEU 37 2HD2 LEU 37 3.708 5.348 1.786 255 3HD2 LEU 37 3HD2 LEU 37 3.567 6.032 0.167 256 H PHE 38 H PHE 38 4.003 0.899 -0.961 257 HA PHE 38 HA PHE 38 3.810 -0.584 1.591 258 1HB PHE 38 2HB PHE 38 5.061 -1.465 -1.023 259 2HB PHE 38 1HB PHE 38 4.966 -2.422 0.455 260 HD1 PHE 38 1HD PHE 38 2.669 -2.981 1.406 261 HD2 PHE 38 2HD PHE 38 3.238 -1.368 -2.535 262 HE1 PHE 38 1HE PHE 38 0.400 -3.749 0.764 263 HE2 PHE 38 2HE PHE 38 0.968 -2.135 -3.177 264 HZ PHE 38 HZ PHE 38 -0.451 -3.325 -1.527 265 H ARG 39 H ARG 39 5.466 -0.443 2.980 266 HA ARG 39 HA ARG 39 7.754 1.215 2.250 267 1HB ARG 39 2HB ARG 39 6.367 1.303 4.468 268 2HB ARG 39 1HB ARG 39 7.389 -0.055 4.942 269 1HG ARG 39 2HG ARG 39 9.400 1.315 4.379 270 2HG ARG 39 1HG ARG 39 8.336 2.683 4.051 271 1HD ARG 39 2HD ARG 39 8.799 1.278 6.683 272 2HD ARG 39 1HD ARG 39 9.061 2.977 6.299 273 HE ARG 39 HE ARG 39 6.514 1.711 6.929 274 1HH1 ARG 39 1HH2 ARG 39 8.224 4.409 5.597 275 2HH1 ARG 39 2HH2 ARG 39 6.907 5.517 5.794 276 1HH2 ARG 39 1HH1 ARG 39 4.784 3.158 7.191 277 2HH2 ARG 39 2HH1 ARG 39 4.959 4.809 6.696 278 H ILE 40 H ILE 40 9.493 0.297 1.389 279 HA ILE 40 HA ILE 40 10.116 -2.505 2.077 280 HB ILE 40 HB ILE 40 11.163 -0.858 -0.236 281 1HG1 ILE 40 2HG1 ILE 40 8.997 -2.982 -0.230 282 2HG1 ILE 40 1HG1 ILE 40 8.677 -1.248 -0.293 283 1HG2 ILE 40 1HG2 ILE 40 11.719 -3.160 -1.107 284 2HG2 ILE 40 2HG2 ILE 40 11.278 -3.801 0.475 285 3HG2 ILE 40 3HG2 ILE 40 12.638 -2.690 0.323 286 1HD1 ILE 40 1HD1 ILE 40 8.659 -1.939 -2.563 287 2HD1 ILE 40 2HD1 ILE 40 10.077 -2.965 -2.347 288 3HD1 ILE 40 3HD1 ILE 40 10.248 -1.210 -2.334 289 H VAL 41 H VAL 41 11.876 -2.957 3.247 290 HA VAL 41 HA VAL 41 13.976 -0.893 3.493 291 HB VAL 41 HB VAL 41 12.873 -2.571 5.760 292 1HG1 VAL 41 1HG1 VAL 41 14.295 -0.875 7.074 293 2HG1 VAL 41 2HG1 VAL 41 15.066 -0.505 5.532 294 3HG1 VAL 41 3HG1 VAL 41 15.166 -2.134 6.199 295 1HG2 VAL 41 1HG2 VAL 41 11.376 -0.710 4.892 296 2HG2 VAL 41 2HG2 VAL 41 12.657 0.421 5.325 297 3HG2 VAL 41 3HG2 VAL 41 11.869 -0.539 6.577 298 H ASN 42 H ASN 42 15.989 -1.634 3.208 299 HA ASN 42 HA ASN 42 16.371 -4.560 3.073 300 1HB ASN 42 2HB ASN 42 16.853 -2.824 1.102 301 2HB ASN 42 1HB ASN 42 18.389 -2.676 1.954 302 1HD2 ASN 42 1HD2 ASN 42 16.837 -4.469 -0.429 303 2HD2 ASN 42 2HD2 ASN 42 17.803 -5.863 -0.374 304 H LYS 43 H LYS 43 17.029 -5.186 5.061 305 HA LYS 43 HA LYS 43 18.497 -3.687 6.907 306 1HB LYS 43 2HB LYS 43 18.368 -6.688 6.533 307 2HB LYS 43 1HB LYS 43 19.035 -5.881 7.953 308 1HG LYS 43 2HG LYS 43 16.833 -4.737 8.277 309 2HG LYS 43 1HG LYS 43 16.184 -5.688 6.940 310 1HD LYS 43 2HD LYS 43 16.797 -7.770 8.171 311 2HD LYS 43 1HD LYS 43 17.321 -6.777 9.532 312 1HE LYS 43 2HE LYS 43 15.061 -5.845 9.749 313 2HE LYS 43 1HE LYS 43 14.525 -6.787 8.357 314 1HZ LYS 43 1HZ LYS 43 14.159 -8.496 9.689 315 2HZ LYS 43 2HZ LYS 43 14.653 -7.581 11.032 316 3HZ LYS 43 3HZ LYS 43 15.785 -8.509 10.171 317 H LYS 44 H LYS 44 19.536 -5.505 4.121 318 HA LYS 44 HA LYS 44 22.215 -5.971 4.718 319 1HB LYS 44 2HB LYS 44 20.962 -6.747 2.669 320 2HB LYS 44 1HB LYS 44 21.170 -5.122 2.012 321 1HG LYS 44 2HG LYS 44 23.593 -5.330 2.136 322 2HG LYS 44 1HG LYS 44 23.448 -6.899 2.929 323 1HD LYS 44 2HD LYS 44 23.811 -7.516 0.702 324 2HD LYS 44 1HD LYS 44 22.051 -7.546 0.808 325 1HE LYS 44 2HE LYS 44 22.795 -6.341 -1.215 326 2HE LYS 44 1HE LYS 44 21.949 -5.259 -0.108 327 1HZ LYS 44 1HZ LYS 44 24.072 -4.373 -1.038 328 2HZ LYS 44 2HZ LYS 44 24.899 -5.566 -0.153 329 3HZ LYS 44 3HZ LYS 44 23.991 -4.378 0.656 330 H LYS 45 H LYS 45 20.890 -3.179 2.923 331 HA LYS 45 HA LYS 45 23.318 -1.667 3.656 332 1HB LYS 45 2HB LYS 45 21.308 -1.163 1.447 333 2HB LYS 45 1HB LYS 45 22.748 -0.195 1.766 334 1HG LYS 45 2HG LYS 45 24.177 -2.152 1.364 335 2HG LYS 45 1HG LYS 45 22.749 -3.150 1.085 336 1HD LYS 45 2HD LYS 45 23.668 -2.455 -1.065 337 2HD LYS 45 1HD LYS 45 22.120 -1.649 -0.809 338 1HE LYS 45 2HE LYS 45 24.597 -0.268 0.140 339 2HE LYS 45 1HE LYS 45 24.264 -0.280 -1.592 340 1HZ LYS 45 1HZ LYS 45 22.042 0.374 0.177 341 2HZ LYS 45 2HZ LYS 45 22.439 1.005 -1.349 342 3HZ LYS 45 3HZ LYS 45 23.267 1.538 0.035 343 H LYS 46 H LYS 46 20.273 -2.118 4.732 344 HA LYS 46 HA LYS 46 18.799 -0.904 6.010 345 1HB LYS 46 2HB LYS 46 21.477 0.236 6.561 346 2HB LYS 46 1HB LYS 46 20.101 1.225 7.051 347 1HG LYS 46 2HG LYS 46 20.169 -1.710 7.715 348 2HG LYS 46 1HG LYS 46 21.024 -0.549 8.729 349 1HD LYS 46 2HD LYS 46 19.093 0.377 9.534 350 2HD LYS 46 1HD LYS 46 18.238 0.172 8.004 351 1HE LYS 46 2HE LYS 46 17.544 -1.301 10.057 352 2HE LYS 46 1HE LYS 46 17.670 -2.050 8.465 353 1HZ LYS 46 1HZ LYS 46 19.563 -3.142 9.022 354 2HZ LYS 46 2HZ LYS 46 18.866 -3.052 10.568 355 3HZ LYS 46 3HZ LYS 46 20.079 -1.953 10.114 356 H GLN 47 H GLN 47 19.081 -0.246 3.152 357 HA GLN 47 HA GLN 47 18.493 2.635 3.123 358 1HB GLN 47 2HB GLN 47 18.677 2.468 0.701 359 2HB GLN 47 1HB GLN 47 20.093 1.730 1.451 360 1HG GLN 47 2HG GLN 47 18.809 -0.490 1.301 361 2HG GLN 47 1HG GLN 47 17.709 0.352 0.211 362 1HE2 GLN 47 1HE2 GLN 47 20.368 1.977 -0.522 363 2HE2 GLN 47 2HE2 GLN 47 21.066 0.974 -1.701 364 H TRP 48 H TRP 48 16.471 3.369 3.025 365 HA TRP 48 HA TRP 48 14.267 1.491 2.892 366 1HB TRP 48 2HB TRP 48 14.404 4.486 3.271 367 2HB TRP 48 1HB TRP 48 12.889 3.586 3.209 368 HD1 TRP 48 HD TRP 48 15.626 1.627 4.769 369 HE1 TRP 48 1HE TRP 48 15.333 1.561 7.331 370 HE3 TRP 48 3HE TRP 48 12.027 5.206 5.338 371 HZ2 TRP 48 2HZ TRP 48 13.778 2.857 9.353 372 HZ3 TRP 48 3HZ TRP 48 11.159 5.769 7.590 373 HH2 TRP 48 HH TRP 48 12.028 4.600 9.595 374 H ALA 49 H ALA 49 12.555 1.581 1.377 375 HA ALA 49 HA ALA 49 12.929 3.188 -1.036 376 1HB ALA 49 1HB ALA 49 12.487 0.994 -2.373 377 2HB ALA 49 2HB ALA 49 13.115 0.191 -0.934 378 3HB ALA 49 3HB ALA 49 14.124 1.337 -1.815 379 H TYR 50 H TYR 50 11.025 3.547 -2.167 380 HA TYR 50 HA TYR 50 8.583 2.414 -0.939 381 1HB TYR 50 2HB TYR 50 9.178 5.201 -1.916 382 2HB TYR 50 1HB TYR 50 7.524 4.612 -1.753 383 HD1 TYR 50 1HD TYR 50 10.386 5.948 -0.027 384 HD2 TYR 50 2HD TYR 50 6.796 3.650 0.508 385 HE1 TYR 50 1HE TYR 50 10.467 6.390 2.413 386 HE2 TYR 50 2HE TYR 50 6.877 4.093 2.947 387 HH TYR 50 HH TYR 50 9.508 6.035 4.375 388 H TYR 51 H TYR 51 6.965 1.721 -2.281 389 HA TYR 51 HA TYR 51 7.436 1.936 -5.190 390 1HB TYR 51 2HB TYR 51 8.119 -0.288 -4.613 391 2HB TYR 51 1HB TYR 51 6.695 -0.526 -3.601 392 HD1 TYR 51 1HD TYR 51 4.704 -1.394 -4.516 393 HD2 TYR 51 2HD TYR 51 7.742 0.161 -7.124 394 HE1 TYR 51 1HE TYR 51 3.444 -2.229 -6.480 395 HE2 TYR 51 2HE TYR 51 6.482 -0.674 -9.090 396 HH TYR 51 HH TYR 51 3.449 -2.503 -8.684 397 H ASN 52 H ASN 52 5.749 2.791 -6.215 398 HA ASN 52 HA ASN 52 3.209 3.079 -4.807 399 1HB ASN 52 2HB ASN 52 3.966 5.068 -5.878 400 2HB ASN 52 1HB ASN 52 4.293 4.214 -7.385 401 1HD2 ASN 52 1HD2 ASN 52 2.026 6.202 -5.909 402 2HD2 ASN 52 2HD2 ASN 52 0.671 5.791 -6.844 403 H ASP 53 H ASP 53 1.371 2.019 -5.287 404 HA ASP 53 HA ASP 53 1.487 0.030 -7.466 405 1HB ASP 53 2HB ASP 53 -0.201 -1.206 -6.247 406 2HB ASP 53 1HB ASP 53 1.125 -0.825 -5.150 407 H THR 54 H THR 54 -0.442 2.623 -6.058 408 HA THR 54 HA THR 54 -2.712 2.368 -7.721 409 HB THR 54 HB THR 54 -3.000 4.851 -7.150 410 HG1 THR 54 1HG THR 54 -0.472 4.539 -6.528 411 1HG2 THR 54 1HG2 THR 54 -3.509 4.329 -4.785 412 2HG2 THR 54 2HG2 THR 54 -2.583 2.834 -4.926 413 3HG2 THR 54 3HG2 THR 54 -4.061 3.049 -5.866 414 H THR 55 H THR 55 -2.823 2.588 -9.855 415 HA THR 55 HA THR 55 -0.709 4.004 -11.290 416 HB THR 55 HB THR 55 -1.675 3.012 -13.288 417 HG1 THR 55 1HG THR 55 -3.573 1.586 -11.888 418 1HG2 THR 55 1HG2 THR 55 -1.681 0.975 -11.047 419 2HG2 THR 55 2HG2 THR 55 -0.217 1.630 -11.780 420 3HG2 THR 55 3HG2 THR 55 -1.337 0.675 -12.750 421 H GLN 56 H GLN 56 -3.179 5.144 -9.703 422 HA GLN 56 HA GLN 56 -3.941 7.075 -11.811 423 1HB GLN 56 2HB GLN 56 -6.049 7.266 -10.179 424 2HB GLN 56 1HB GLN 56 -5.989 6.088 -11.491 425 1HG GLN 56 2HG GLN 56 -4.954 5.435 -8.731 426 2HG GLN 56 1HG GLN 56 -6.650 5.214 -9.157 427 1HE2 GLN 56 1HE2 GLN 56 -4.392 3.187 -8.610 428 2HE2 GLN 56 2HE2 GLN 56 -4.434 2.161 -9.961 429 H TYR 57 H TYR 57 -2.735 6.519 -8.643 430 HA TYR 57 HA TYR 57 -2.538 9.434 -8.235 431 1HB TYR 57 2HB TYR 57 -2.910 7.673 -5.852 432 2HB TYR 57 1HB TYR 57 -3.353 9.365 -6.081 433 HD1 TYR 57 1HD TYR 57 -4.598 6.065 -5.923 434 HD2 TYR 57 2HD TYR 57 -5.161 9.791 -7.986 435 HE1 TYR 57 1HE TYR 57 -6.903 5.381 -6.531 436 HE2 TYR 57 2HE TYR 57 -7.466 9.106 -8.595 437 HH TYR 57 HH TYR 57 -8.708 6.903 -8.893 438 H GLU 58 H GLU 58 -0.625 10.142 -7.371 439 HA GLU 58 HA GLU 58 1.539 8.177 -7.237 440 1HB GLU 58 2HB GLU 58 2.972 10.253 -7.053 441 2HB GLU 58 1HB GLU 58 2.043 10.119 -8.546 442 1HG GLU 58 2HG GLU 58 0.799 11.533 -6.220 443 2HG GLU 58 1HG GLU 58 2.041 12.374 -7.147 444 H MET 59 H MET 59 2.758 7.773 -5.425 445 HA MET 59 HA MET 59 1.521 8.532 -2.884 446 1HB MET 59 2HB MET 59 3.459 6.414 -3.750 447 2HB MET 59 1HB MET 59 3.358 6.866 -2.048 448 1HG MET 59 2HG MET 59 1.828 4.946 -2.866 449 2HG MET 59 1HG MET 59 1.091 6.215 -1.888 450 1HE MET 59 1HE MET 59 -0.937 4.513 -3.494 451 2HE MET 59 2HE MET 59 -1.924 5.874 -4.018 452 3HE MET 59 3HE MET 59 -1.156 5.912 -2.433 453 H HIS 60 H HIS 60 2.236 10.274 -1.852 454 HA HIS 60 HA HIS 60 4.955 11.253 -2.353 455 1HB HIS 60 2HB HIS 60 2.509 12.464 -1.070 456 2HB HIS 60 1HB HIS 60 4.098 13.217 -0.945 457 HD1 HIS 60 1HD HIS 60 4.581 14.841 -2.764 458 HD2 HIS 60 2HD HIS 60 1.918 11.890 -4.024 459 HE1 HIS 60 1HE HIS 60 3.959 15.410 -5.153 460 HE2 HIS 60 2HE HIS 60 2.337 13.620 -5.936 461 H VAL 61 H VAL 61 6.562 10.988 -0.932 462 HA VAL 61 HA VAL 61 5.909 9.800 1.682 463 HB VAL 61 HB VAL 61 8.455 9.859 0.056 464 1HG1 VAL 61 1HG1 VAL 61 9.165 10.055 2.329 465 2HG1 VAL 61 2HG1 VAL 61 9.280 8.337 1.940 466 3HG1 VAL 61 3HG1 VAL 61 7.919 8.938 2.887 467 1HG2 VAL 61 1HG2 VAL 61 6.860 7.500 1.078 468 2HG2 VAL 61 2HG2 VAL 61 8.103 7.510 -0.174 469 3HG2 VAL 61 3HG2 VAL 61 6.532 8.248 -0.485 470 H LEU 62 H LEU 62 6.195 10.898 3.513 471 HA LEU 62 HA LEU 62 8.085 13.138 3.598 472 1HB LEU 62 2HB LEU 62 5.879 14.117 3.020 473 2HB LEU 62 1HB LEU 62 5.201 13.395 4.480 474 HG LEU 62 HG LEU 62 6.997 14.631 5.789 475 1HD1 LEU 62 1HD1 LEU 62 7.428 15.733 3.022 476 2HD1 LEU 62 2HD1 LEU 62 8.626 15.231 4.216 477 3HD1 LEU 62 3HD1 LEU 62 7.747 16.744 4.432 478 1HD2 LEU 62 1HD2 LEU 62 4.690 15.436 5.742 479 2HD2 LEU 62 2HD2 LEU 62 4.967 16.224 4.189 480 3HD2 LEU 62 3HD2 LEU 62 5.784 16.814 5.636 481 H VAL 63 H VAL 63 9.373 11.902 4.978 482 HA VAL 63 HA VAL 63 8.166 11.227 7.593 483 HB VAL 63 HB VAL 63 10.632 10.038 6.301 484 1HG1 VAL 63 1HG1 VAL 63 9.068 9.305 8.797 485 2HG1 VAL 63 2HG1 VAL 63 10.687 10.004 8.756 486 3HG1 VAL 63 3HG1 VAL 63 10.413 8.378 8.133 487 1HG2 VAL 63 1HG2 VAL 63 9.304 8.158 5.725 488 2HG2 VAL 63 2HG2 VAL 63 8.315 9.544 5.262 489 3HG2 VAL 63 3HG2 VAL 63 7.973 8.677 6.760 490 H THR 64 H THR 64 8.988 12.124 9.397 491 HA THR 64 HA THR 64 11.354 13.871 9.087 492 HB THR 64 HB THR 64 9.095 14.071 11.095 493 HG1 THR 64 1HG THR 64 8.158 15.206 9.623 494 1HG2 THR 64 1HG2 THR 64 10.180 16.370 11.416 495 2HG2 THR 64 2HG2 THR 64 11.573 15.711 10.558 496 3HG2 THR 64 3HG2 THR 64 11.054 14.990 12.081 497 H PHE 65 H PHE 65 13.081 13.577 10.401 498 HA PHE 65 HA PHE 65 12.847 11.496 12.491 499 1HB PHE 65 2HB PHE 65 15.457 12.082 11.153 500 2HB PHE 65 1HB PHE 65 14.877 10.579 11.873 501 HD1 PHE 65 1HD PHE 65 14.661 12.798 8.919 502 HD2 PHE 65 2HD PHE 65 13.502 9.030 10.627 503 HE1 PHE 65 1HE PHE 65 13.891 12.026 6.693 504 HE2 PHE 65 2HE PHE 65 12.732 8.258 8.399 505 HZ PHE 65 HZ PHE 65 12.926 9.756 6.432 506 H ASN 66 H ASN 66 14.536 11.687 14.206 507 HA ASN 66 HA ASN 66 14.604 14.412 15.190 508 1HB ASN 66 2HB ASN 66 14.171 12.323 16.596 509 2HB ASN 66 1HB ASN 66 15.900 12.003 16.464 510 1HD2 ASN 66 1HD2 ASN 66 17.209 13.022 17.996 511 2HD2 ASN 66 2HD2 ASN 66 16.724 14.331 18.961 512 H GLU 67 H GLU 67 16.557 15.462 15.913 513 HA GLU 67 HA GLU 67 18.544 15.710 14.013 514 1HB GLU 67 2HB GLU 67 18.373 17.413 15.654 515 2HB GLU 67 1HB GLU 67 18.566 16.265 16.978 516 1HG GLU 67 2HG GLU 67 20.863 15.951 16.530 517 2HG GLU 67 1HG GLU 67 20.730 16.635 14.911 518 H ASP 68 H ASP 68 18.631 13.757 16.991 519 HA ASP 68 HA ASP 68 21.204 12.622 16.335 520 1HB ASP 68 2HB ASP 68 20.813 11.226 18.342 521 2HB ASP 68 1HB ASP 68 20.584 12.941 18.671 522 H CYS 69 H CYS 69 20.552 11.830 14.185 523 HA CYS 69 HA CYS 69 19.723 9.048 14.368 524 1HB CYS 69 2HB CYS 69 18.247 10.930 12.515 525 2HB CYS 69 1HB CYS 69 17.940 9.210 12.754 526 HG CYS 69 HG CYS 69 17.612 10.313 15.425 527 H ASP 70 H ASP 70 21.271 8.016 13.295 528 HA ASP 70 HA ASP 70 22.893 9.321 11.308 529 1HB ASP 70 2HB ASP 70 22.777 6.540 12.450 530 2HB ASP 70 1HB ASP 70 23.797 6.909 11.061 531 H ILE 71 H ILE 71 21.196 9.893 9.792 532 HA ILE 71 HA ILE 71 20.424 7.617 8.067 533 HB ILE 71 HB ILE 71 18.364 8.857 7.512 534 1HG1 ILE 71 2HG1 ILE 71 19.350 10.771 9.655 535 2HG1 ILE 71 1HG1 ILE 71 19.213 11.131 7.933 536 1HG2 ILE 71 1HG2 ILE 71 18.494 7.212 9.434 537 2HG2 ILE 71 2HG2 ILE 71 17.204 8.406 9.576 538 3HG2 ILE 71 3HG2 ILE 71 18.686 8.593 10.514 539 1HD1 ILE 71 1HD1 ILE 71 16.988 10.585 9.904 540 2HD1 ILE 71 2HD1 ILE 71 16.734 10.505 8.161 541 3HD1 ILE 71 3HD1 ILE 71 17.234 12.022 8.910 542 H LYS 72 H LYS 72 20.206 8.124 5.797 543 HA LYS 72 HA LYS 72 21.639 10.565 4.954 544 1HB LYS 72 2HB LYS 72 22.955 8.275 4.936 545 2HB LYS 72 1HB LYS 72 22.045 8.015 3.447 546 1HG LYS 72 2HG LYS 72 22.828 10.428 2.835 547 2HG LYS 72 1HG LYS 72 24.053 10.166 4.078 548 1HD LYS 72 2HD LYS 72 23.586 8.511 1.584 549 2HD LYS 72 1HD LYS 72 25.013 9.469 1.981 550 1HE LYS 72 2HE LYS 72 25.161 7.955 4.092 551 2HE LYS 72 1HE LYS 72 24.089 6.875 3.201 552 1HZ LYS 72 1HZ LYS 72 26.784 7.815 2.404 553 2HZ LYS 72 2HZ LYS 72 25.722 7.038 1.331 554 3HZ LYS 72 3HZ LYS 72 26.289 6.222 2.708 555 H ALA 73 H ALA 73 21.275 11.096 2.654 556 HA ALA 73 HA ALA 73 18.500 10.459 1.900 557 1HB ALA 73 1HB ALA 73 19.680 12.882 2.138 558 2HB ALA 73 2HB ALA 73 18.336 12.562 1.043 559 3HB ALA 73 3HB ALA 73 19.991 12.556 0.433 560 H LEU 74 H LEU 74 18.004 9.459 0.018 561 HA LEU 74 HA LEU 74 20.270 8.635 -1.692 562 1HB LEU 74 2HB LEU 74 17.594 7.251 -1.489 563 2HB LEU 74 1HB LEU 74 19.088 6.629 -2.189 564 HG LEU 74 HG LEU 74 18.749 7.349 0.735 565 1HD1 LEU 74 1HD1 LEU 74 18.407 5.070 1.208 566 2HD1 LEU 74 2HD1 LEU 74 19.000 4.558 -0.373 567 3HD1 LEU 74 3HD1 LEU 74 17.419 5.328 -0.231 568 1HD2 LEU 74 1HD2 LEU 74 20.870 5.883 0.830 569 2HD2 LEU 74 2HD2 LEU 74 21.049 7.505 0.160 570 3HD2 LEU 74 3HD2 LEU 74 20.955 6.111 -0.917 571 H GLY 75 H GLY 75 19.494 8.085 -3.994 572 1HA GLY 75 2HA GLY 75 18.914 9.083 -6.007 573 2HA GLY 75 1HA GLY 75 17.303 9.020 -5.295 574 H LYS 76 H LYS 76 16.439 10.933 -5.923 575 HA LYS 76 HA LYS 76 17.989 13.397 -5.658 576 1HB LYS 76 2HB LYS 76 15.987 14.446 -6.710 577 2HB LYS 76 1HB LYS 76 16.673 13.144 -7.683 578 1HG LYS 76 2HG LYS 76 14.921 11.687 -7.220 579 2HG LYS 76 1HG LYS 76 14.518 12.491 -5.703 580 1HD LYS 76 2HD LYS 76 14.207 13.977 -8.295 581 2HD LYS 76 1HD LYS 76 12.963 12.833 -7.792 582 1HE LYS 76 2HE LYS 76 13.953 14.826 -5.790 583 2HE LYS 76 1HE LYS 76 12.844 15.378 -7.046 584 1HZ LYS 76 1HZ LYS 76 11.164 14.419 -5.998 585 2HZ LYS 76 2HZ LYS 76 12.207 14.034 -4.715 586 3HZ LYS 76 3HZ LYS 76 11.956 12.920 -5.972 587 H THR 77 H THR 77 16.257 11.526 -3.610 588 HA THR 77 HA THR 77 14.370 13.025 -2.317 589 HB THR 77 HB THR 77 16.506 11.366 -0.955 590 HG1 THR 77 1HG THR 77 15.592 9.885 -2.131 591 1HG2 THR 77 1HG2 THR 77 14.541 10.987 0.649 592 2HG2 THR 77 2HG2 THR 77 13.778 12.369 -0.137 593 3HG2 THR 77 3HG2 THR 77 15.313 12.571 0.709 594 H LYS 78 H LYS 78 14.361 15.002 -1.477 595 HA LYS 78 HA LYS 78 16.839 16.425 -1.008 596 1HB LYS 78 2HB LYS 78 14.805 17.490 -2.019 597 2HB LYS 78 1HB LYS 78 14.008 17.336 -0.452 598 1HG LYS 78 2HG LYS 78 15.830 18.664 0.585 599 2HG LYS 78 1HG LYS 78 16.573 18.858 -1.002 600 1HD LYS 78 2HD LYS 78 14.446 19.922 -1.804 601 2HD LYS 78 1HD LYS 78 13.840 19.854 -0.148 602 1HE LYS 78 2HE LYS 78 14.835 22.065 -0.661 603 2HE LYS 78 1HE LYS 78 15.720 21.236 0.618 604 1HZ LYS 78 1HZ LYS 78 17.352 20.523 -0.978 605 2HZ LYS 78 2HZ LYS 78 17.186 22.211 -1.067 606 3HZ LYS 78 3HZ LYS 78 16.478 21.221 -2.252 607 H LEU 79 H LEU 79 17.860 16.621 0.880 608 HA LEU 79 HA LEU 79 16.372 15.985 3.356 609 1HB LEU 79 2HB LEU 79 17.867 14.138 2.858 610 2HB LEU 79 1HB LEU 79 19.220 15.249 2.644 611 HG LEU 79 HG LEU 79 19.058 15.940 4.990 612 1HD1 LEU 79 1HD1 LEU 79 16.810 15.805 5.597 613 2HD1 LEU 79 2HD1 LEU 79 17.472 14.381 6.401 614 3HD1 LEU 79 3HD1 LEU 79 16.606 14.209 4.874 615 1HD2 LEU 79 1HD2 LEU 79 20.512 14.074 4.645 616 2HD2 LEU 79 2HD2 LEU 79 19.156 12.962 4.456 617 3HD2 LEU 79 3HD2 LEU 79 19.520 13.648 6.040 618 H GLU 80 H GLU 80 16.475 17.481 4.915 619 HA GLU 80 HA GLU 80 18.730 19.316 5.084 620 1HB GLU 80 2HB GLU 80 17.178 21.306 5.094 621 2HB GLU 80 1HB GLU 80 17.380 20.536 3.520 622 1HG GLU 80 2HG GLU 80 15.288 19.251 3.904 623 2HG GLU 80 1HG GLU 80 15.074 20.095 5.437 624 H GLN 81 H GLN 81 18.722 20.560 7.062 625 HA GLN 81 HA GLN 81 17.117 19.257 9.172 626 1HB GLN 81 2HB GLN 81 19.606 19.033 9.315 627 2HB GLN 81 1HB GLN 81 19.710 20.787 9.474 628 1HG GLN 81 2HG GLN 81 18.331 20.711 11.498 629 2HG GLN 81 1HG GLN 81 18.145 18.967 11.327 630 1HE2 GLN 81 1HE2 GLN 81 19.260 19.781 13.702 631 2HE2 GLN 81 2HE2 GLN 81 20.931 19.483 13.720 632 H GLN 82 H GLN 82 16.200 20.535 10.825 633 HA GLN 82 HA GLN 82 15.665 23.314 9.992 634 1HB GLN 82 2HB GLN 82 14.091 21.926 12.124 635 2HB GLN 82 1HB GLN 82 13.570 23.139 10.954 636 1HG GLN 82 2HG GLN 82 14.200 20.229 10.394 637 2HG GLN 82 1HG GLN 82 12.618 21.003 10.310 638 1HE2 GLN 82 1HE2 GLN 82 14.753 19.782 8.244 639 2HE2 GLN 82 2HE2 GLN 82 14.677 20.910 6.977 640 H GLU 83 H GLU 83 15.284 24.857 11.837 641 HA GLU 83 HA GLU 83 17.606 25.056 13.430 642 1HB GLU 83 2HB GLU 83 16.134 26.965 12.699 643 2HB GLU 83 1HB GLU 83 14.969 26.452 13.922 644 1HG GLU 83 2HG GLU 83 16.336 28.168 14.916 645 2HG GLU 83 1HG GLU 83 16.821 26.631 15.632 646 H ASN 84 H ASN 84 14.369 23.822 14.084 647 HA ASN 84 HA ASN 84 14.573 23.594 16.886 648 1HB ASN 84 2HB ASN 84 12.803 21.820 16.603 649 2HB ASN 84 1HB ASN 84 12.423 23.369 15.852 650 1HD2 ASN 84 1HD2 ASN 84 14.374 20.507 14.808 651 2HD2 ASN 84 2HD2 ASN 84 13.610 20.364 13.300 652 H GLY 85 H GLY 85 15.903 21.704 14.296 653 1HA GLY 85 2HA GLY 85 17.786 20.276 14.626 654 2HA GLY 85 1HA GLY 85 17.244 19.991 16.279 655 H GLU 86 H GLU 86 15.855 19.639 13.004 656 HA GLU 86 HA GLU 86 15.359 16.800 13.565 657 1HB GLU 86 2HB GLU 86 13.241 18.792 12.725 658 2HB GLU 86 1HB GLU 86 13.036 17.043 12.646 659 1HG GLU 86 2HG GLU 86 13.491 16.892 15.078 660 2HG GLU 86 1HG GLU 86 13.635 18.648 15.147 661 H TRP 87 H TRP 87 15.237 15.503 11.722 662 HA TRP 87 HA TRP 87 16.236 16.791 9.268 663 1HB TRP 87 2HB TRP 87 16.365 13.956 10.297 664 2HB TRP 87 1HB TRP 87 16.767 14.375 8.632 665 HD1 TRP 87 HD TRP 87 18.146 14.380 12.098 666 HE1 TRP 87 1HE TRP 87 20.496 15.440 12.113 667 HE3 TRP 87 3HE TRP 87 18.253 16.353 7.389 668 HZ2 TRP 87 2HZ TRP 87 22.198 16.924 10.357 669 HZ3 TRP 87 3HZ TRP 87 20.250 17.581 6.585 670 HH2 TRP 87 HH TRP 87 22.221 17.869 8.063 671 H VAL 88 H VAL 88 15.133 16.693 7.375 672 HA VAL 88 HA VAL 88 12.591 15.181 7.359 673 HB VAL 88 HB VAL 88 13.101 17.978 6.317 674 1HG1 VAL 88 1HG1 VAL 88 11.672 16.912 4.727 675 2HG1 VAL 88 2HG1 VAL 88 10.601 17.821 5.792 676 3HG1 VAL 88 3HG1 VAL 88 10.771 16.076 5.990 677 1HG2 VAL 88 1HG2 VAL 88 12.682 17.639 8.798 678 2HG2 VAL 88 2HG2 VAL 88 11.104 16.980 8.367 679 3HG2 VAL 88 3HG2 VAL 88 11.494 18.656 7.981 680 H ALA 89 H ALA 89 12.220 13.970 5.591 681 HA ALA 89 HA ALA 89 13.845 14.447 3.178 682 1HB ALA 89 1HB ALA 89 13.410 11.738 4.457 683 2HB ALA 89 2HB ALA 89 14.920 12.646 4.491 684 3HB ALA 89 3HB ALA 89 14.283 12.053 2.958 685 H SER 90 H SER 90 12.439 14.842 1.597 686 HA SER 90 HA SER 90 9.966 13.221 1.483 687 1HB SER 90 2HB SER 90 8.764 15.134 0.651 688 2HB SER 90 1HB SER 90 9.581 15.618 2.134 689 HG SER 90 HG SER 90 10.530 16.021 -0.516 690 H VAL 91 H VAL 91 9.338 12.466 -0.513 691 HA VAL 91 HA VAL 91 10.616 13.332 -2.947 692 HB VAL 91 HB VAL 91 12.305 11.777 -1.863 693 1HG1 VAL 91 1HG1 VAL 91 10.468 10.237 -0.989 694 2HG1 VAL 91 2HG1 VAL 91 11.828 9.433 -1.772 695 3HG1 VAL 91 3HG1 VAL 91 10.307 9.641 -2.640 696 1HG2 VAL 91 1HG2 VAL 91 12.501 12.132 -4.209 697 2HG2 VAL 91 2HG2 VAL 91 11.043 11.200 -4.551 698 3HG2 VAL 91 3HG2 VAL 91 12.510 10.379 -4.015 699 H VAL 92 H VAL 92 9.412 12.805 -4.721 700 HA VAL 92 HA VAL 92 6.860 11.467 -4.186 701 HB VAL 92 HB VAL 92 7.798 13.033 -6.602 702 1HG1 VAL 92 1HG1 VAL 92 5.154 11.788 -5.820 703 2HG1 VAL 92 2HG1 VAL 92 6.072 11.544 -7.307 704 3HG1 VAL 92 3HG1 VAL 92 5.269 13.086 -7.008 705 1HG2 VAL 92 1HG2 VAL 92 6.127 14.710 -5.652 706 2HG2 VAL 92 2HG2 VAL 92 7.619 14.523 -4.729 707 3HG2 VAL 92 3HG2 VAL 92 6.135 13.749 -4.174 708 H VAL 93 H VAL 93 6.215 9.603 -5.157 709 HA VAL 93 HA VAL 93 8.184 8.269 -6.920 710 HB VAL 93 HB VAL 93 6.277 6.989 -4.946 711 1HG1 VAL 93 1HG1 VAL 93 8.365 5.888 -6.845 712 2HG1 VAL 93 2HG1 VAL 93 6.642 5.509 -6.806 713 3HG1 VAL 93 3HG1 VAL 93 7.697 4.958 -5.504 714 1HG2 VAL 93 1HG2 VAL 93 9.303 7.150 -4.859 715 2HG2 VAL 93 2HG2 VAL 93 8.227 6.531 -3.605 716 3HG2 VAL 93 3HG2 VAL 93 8.251 8.256 -3.975 717 H TYR 94 H TYR 94 7.474 7.565 -8.850 718 HA TYR 94 HA TYR 94 4.667 8.051 -9.530 719 1HB TYR 94 2HB TYR 94 7.097 7.435 -11.225 720 2HB TYR 94 1HB TYR 94 5.470 7.646 -11.873 721 HD1 TYR 94 1HD TYR 94 4.224 9.838 -10.894 722 HD2 TYR 94 2HD TYR 94 8.474 9.309 -11.218 723 HE1 TYR 94 1HE TYR 94 4.532 12.299 -10.869 724 HE2 TYR 94 2HE TYR 94 8.782 11.770 -11.198 725 HH TYR 94 HH TYR 94 6.384 13.927 -11.777 726 HA PRO 95 HA PRO 95 3.391 3.870 -9.438 727 1HB PRO 95 2HB PRO 95 1.883 3.747 -11.765 728 2HB PRO 95 1HB PRO 95 1.317 4.417 -10.225 729 1HG PRO 95 2HG PRO 95 2.358 5.819 -12.632 730 2HG PRO 95 1HG PRO 95 1.040 6.274 -11.538 731 1HD PRO 95 2HD PRO 95 3.454 7.475 -11.402 732 2HD PRO 95 1HD PRO 95 2.488 7.166 -9.942 733 H CYS 96 H CYS 96 3.832 1.815 -10.306 734 HA CYS 96 HA CYS 96 5.032 0.239 -11.468 735 1HB CYS 96 2HB CYS 96 3.595 1.230 -13.335 736 2HB CYS 96 1HB CYS 96 5.018 2.168 -13.789 737 HG CYS 96 HG CYS 96 4.816 -0.939 -13.946 738 H GLU 97 H GLU 97 6.408 2.328 -9.942 739 HA GLU 97 HA GLU 97 9.069 1.924 -11.071 740 1HB GLU 97 2HB GLU 97 8.073 4.156 -11.913 741 2HB GLU 97 1HB GLU 97 8.279 4.712 -10.251 742 1HG GLU 97 2HG GLU 97 10.273 5.317 -11.462 743 2HG GLU 97 1HG GLU 97 10.691 3.976 -10.397 744 H THR 98 H THR 98 10.766 2.301 -9.531 745 HA THR 98 HA THR 98 9.875 2.612 -6.737 746 HB THR 98 HB THR 98 11.974 0.584 -7.437 747 HG1 THR 98 1HG THR 98 10.522 -0.755 -8.125 748 1HG2 THR 98 1HG2 THR 98 10.001 0.977 -5.173 749 2HG2 THR 98 2HG2 THR 98 11.753 1.177 -5.103 750 3HG2 THR 98 3HG2 THR 98 11.056 -0.428 -5.326 751 H GLU 99 H GLU 99 10.940 4.276 -5.894 752 HA GLU 99 HA GLU 99 13.651 4.878 -6.908 753 1HB GLU 99 2HB GLU 99 11.714 6.742 -5.515 754 2HB GLU 99 1HB GLU 99 13.253 7.180 -6.258 755 1HG GLU 99 2HG GLU 99 12.374 6.368 -8.452 756 2HG GLU 99 1HG GLU 99 10.814 6.082 -7.683 757 H MET 100 H MET 100 15.115 5.906 -5.291 758 HA MET 100 HA MET 100 15.095 4.340 -2.839 759 1HB MET 100 2HB MET 100 17.130 6.367 -3.792 760 2HB MET 100 1HB MET 100 17.349 5.163 -2.522 761 1HG MET 100 2HG MET 100 16.826 4.570 -5.451 762 2HG MET 100 1HG MET 100 18.375 4.395 -4.625 763 1HE MET 100 1HE MET 100 17.306 2.995 -1.636 764 2HE MET 100 2HE MET 100 18.738 3.244 -2.631 765 3HE MET 100 3HE MET 100 18.174 1.606 -2.305 766 H PHE 101 H PHE 101 15.371 5.296 -0.738 767 HA PHE 101 HA PHE 101 14.207 8.009 -0.544 768 1HB PHE 101 2HB PHE 101 12.636 6.246 0.197 769 2HB PHE 101 1HB PHE 101 13.829 5.696 1.374 770 HD1 PHE 101 1HD PHE 101 12.990 6.266 3.494 771 HD2 PHE 101 2HD PHE 101 12.831 9.145 0.311 772 HE1 PHE 101 1HE PHE 101 12.180 7.984 5.088 773 HE2 PHE 101 2HE PHE 101 12.022 10.864 1.906 774 HZ PHE 101 HZ PHE 101 11.690 10.281 4.293 775 H ILE 102 H ILE 102 15.060 6.386 2.340 776 HA ILE 102 HA ILE 102 17.559 7.961 2.524 777 HB ILE 102 HB ILE 102 17.085 8.319 4.885 778 1HG1 ILE 102 2HG1 ILE 102 14.492 7.635 5.362 779 2HG1 ILE 102 1HG1 ILE 102 14.981 6.311 4.304 780 1HG2 ILE 102 1HG2 ILE 102 14.809 8.993 3.002 781 2HG2 ILE 102 2HG2 ILE 102 16.193 10.006 3.416 782 3HG2 ILE 102 3HG2 ILE 102 14.955 9.668 4.625 783 1HD1 ILE 102 1HD1 ILE 102 15.651 5.453 6.346 784 2HD1 ILE 102 2HD1 ILE 102 16.002 7.045 7.019 785 3HD1 ILE 102 3HD1 ILE 102 17.124 6.303 5.877 786 H GLU 103 H GLU 103 19.173 7.087 3.998 787 HA GLU 103 HA GLU 103 18.901 4.207 4.554 788 1HB GLU 103 2HB GLU 103 20.083 4.369 2.420 789 2HB GLU 103 1HB GLU 103 21.240 5.498 3.127 790 1HG GLU 103 2HG GLU 103 22.001 3.793 4.699 791 2HG GLU 103 1HG GLU 103 20.786 2.664 4.102 792 H GLY 104 H GLY 104 20.281 3.431 6.216 793 1HA GLY 104 2HA GLY 104 22.177 3.979 7.741 794 2HA GLY 104 1HA GLY 104 21.433 5.566 7.916 795 H ARG 105 H ARG 105 21.407 5.131 10.221 796 HA ARG 105 HA ARG 105 19.508 3.080 11.119 797 1HB ARG 105 2HB ARG 105 21.741 3.329 12.236 798 2HB ARG 105 1HB ARG 105 21.228 4.924 12.790 799 1HG ARG 105 2HG ARG 105 19.239 3.837 13.874 800 2HG ARG 105 1HG ARG 105 19.923 2.269 13.445 801 1HD ARG 105 2HD ARG 105 21.383 4.352 15.088 802 2HD ARG 105 1HD ARG 105 20.473 3.014 15.785 803 HE ARG 105 HE ARG 105 22.142 1.530 15.031 804 1HH1 ARG 105 1HH2 ARG 105 22.627 4.774 13.927 805 2HH1 ARG 105 2HH2 ARG 105 24.264 4.507 13.431 806 1HH2 ARG 105 1HH1 ARG 105 24.292 1.175 14.392 807 2HH2 ARG 105 2HH1 ARG 105 25.207 2.469 13.694 808 H VAL 106 H VAL 106 17.588 3.544 12.111 809 HA VAL 106 HA VAL 106 16.838 6.402 12.278 810 HB VAL 106 HB VAL 106 14.907 4.182 11.619 811 1HG1 VAL 106 1HG1 VAL 106 14.782 7.126 10.946 812 2HG1 VAL 106 2HG1 VAL 106 14.193 6.498 12.484 813 3HG1 VAL 106 3HG1 VAL 106 13.462 5.957 10.972 814 1HG2 VAL 106 1HG2 VAL 106 16.457 4.083 9.813 815 2HG2 VAL 106 2HG2 VAL 106 16.667 5.834 9.797 816 3HG2 VAL 106 3HG2 VAL 106 15.155 5.121 9.236 817 H ASN 107 H ASN 107 15.829 7.065 14.099 818 HA ASN 107 HA ASN 107 14.911 5.042 16.032 819 1HB ASN 107 2HB ASN 107 16.143 5.943 17.820 820 2HB ASN 107 1HB ASN 107 17.303 5.899 16.493 821 1HD2 ASN 107 1HD2 ASN 107 18.209 7.886 15.825 822 2HD2 ASN 107 2HD2 ASN 107 17.724 9.395 16.433 823 H GLY 108 H GLY 108 12.897 5.503 16.632 824 1HA GLY 108 2HA GLY 108 10.907 6.672 16.820 825 2HA GLY 108 1HA GLY 108 11.908 7.799 17.732 826 H PHE 109 H PHE 109 10.257 7.204 14.753 827 HA PHE 109 HA PHE 109 10.845 9.963 13.909 828 1HB PHE 109 2HB PHE 109 11.081 9.193 11.565 829 2HB PHE 109 1HB PHE 109 12.345 8.541 12.609 830 HD1 PHE 109 1HD PHE 109 12.124 6.188 13.503 831 HD2 PHE 109 2HD PHE 109 9.530 7.760 10.461 832 HE1 PHE 109 1HE PHE 109 11.434 3.883 12.900 833 HE2 PHE 109 2HE PHE 109 8.841 5.455 9.857 834 HZ PHE 109 HZ PHE 109 9.792 3.517 11.077 835 H LYS 110 H LYS 110 9.254 10.869 12.487 836 HA LYS 110 HA LYS 110 6.619 9.560 12.745 837 1HB LYS 110 2HB LYS 110 6.836 11.784 13.816 838 2HB LYS 110 1HB LYS 110 7.265 12.477 12.251 839 1HG LYS 110 2HG LYS 110 5.112 11.921 11.328 840 2HG LYS 110 1HG LYS 110 4.688 10.967 12.749 841 1HD LYS 110 2HD LYS 110 3.608 13.185 12.824 842 2HD LYS 110 1HD LYS 110 4.763 13.000 14.143 843 1HE LYS 110 2HE LYS 110 4.815 15.203 12.752 844 2HE LYS 110 1HE LYS 110 6.345 14.409 13.127 845 1HZ LYS 110 1HZ LYS 110 4.831 13.913 10.627 846 2HZ LYS 110 2HZ LYS 110 6.428 13.453 10.985 847 3HZ LYS 110 3HZ LYS 110 6.044 15.092 10.755 848 H SER 111 H SER 111 5.576 8.911 10.966 849 HA SER 111 HA SER 111 6.704 9.696 8.348 850 1HB SER 111 2HB SER 111 5.148 7.193 9.024 851 2HB SER 111 1HB SER 111 5.945 7.562 7.496 852 HG SER 111 HG SER 111 7.923 7.670 8.733 853 H LYS 112 H LYS 112 5.410 10.565 6.831 854 HA LYS 112 HA LYS 112 2.495 10.486 7.206 855 1HB LYS 112 2HB LYS 112 3.360 12.608 8.207 856 2HB LYS 112 1HB LYS 112 4.017 13.038 6.627 857 1HG LYS 112 2HG LYS 112 1.747 12.889 5.651 858 2HG LYS 112 1HG LYS 112 1.096 12.497 7.244 859 1HD LYS 112 2HD LYS 112 2.035 14.671 8.089 860 2HD LYS 112 1HD LYS 112 2.476 15.068 6.427 861 1HE LYS 112 2HE LYS 112 -0.315 14.561 7.492 862 2HE LYS 112 1HE LYS 112 0.331 16.091 6.899 863 1HZ LYS 112 1HZ LYS 112 -0.594 13.770 5.421 864 2HZ LYS 112 2HZ LYS 112 0.805 14.519 4.813 865 3HZ LYS 112 3HZ LYS 112 -0.627 15.412 4.998 866 H MET 113 H MET 113 1.518 9.947 5.356 867 HA MET 113 HA MET 113 2.831 10.633 2.805 868 1HB MET 113 2HB MET 113 1.629 7.939 3.483 869 2HB MET 113 1HB MET 113 2.315 8.407 1.926 870 1HG MET 113 2HG MET 113 4.143 7.352 2.893 871 2HG MET 113 1HG MET 113 4.426 9.018 3.401 872 1HE MET 113 1HE MET 113 3.210 5.393 5.863 873 2HE MET 113 2HE MET 113 3.950 5.478 4.265 874 3HE MET 113 3HE MET 113 2.246 5.882 4.463 875 H ASP 114 H ASP 114 1.361 10.454 0.939 876 HA ASP 114 HA ASP 114 -1.497 10.531 1.525 877 1HB ASP 114 2HB ASP 114 -0.509 12.882 1.807 878 2HB ASP 114 1HB ASP 114 -0.241 12.852 0.066 879 H ALA 115 H ALA 115 -2.733 10.902 -0.608 880 HA ALA 115 HA ALA 115 -1.267 9.596 -2.821 881 1HB ALA 115 1HB ALA 115 -2.834 8.023 -1.758 882 2HB ALA 115 2HB ALA 115 -3.342 8.418 -3.401 883 3HB ALA 115 3HB ALA 115 -4.155 9.161 -2.023 884 H LEU 116 H LEU 116 -0.861 11.510 -3.923 885 HA LEU 116 HA LEU 116 -3.110 13.255 -4.599 886 1HB LEU 116 2HB LEU 116 -0.290 13.598 -5.586 887 2HB LEU 116 1HB LEU 116 -1.517 14.830 -5.290 888 HG LEU 116 HG LEU 116 -0.051 13.195 -3.201 889 1HD1 LEU 116 1HD1 LEU 116 1.084 15.205 -4.307 890 2HD1 LEU 116 2HD1 LEU 116 0.947 15.264 -2.550 891 3HD1 LEU 116 3HD1 LEU 116 -0.164 16.197 -3.553 892 1HD2 LEU 116 1HD2 LEU 116 -1.367 14.746 -1.631 893 2HD2 LEU 116 2HD2 LEU 116 -2.279 13.438 -2.387 894 3HD2 LEU 116 3HD2 LEU 116 -2.408 15.081 -3.016 895 HA PRO 117 HA PRO 117 -3.684 11.450 -8.578 896 1HB PRO 117 2HB PRO 117 -4.791 13.540 -9.919 897 2HB PRO 117 1HB PRO 117 -5.657 12.650 -8.652 898 1HG PRO 117 2HG PRO 117 -4.290 15.290 -8.514 899 2HG PRO 117 1HG PRO 117 -5.813 14.764 -7.776 900 1HD PRO 117 2HD PRO 117 -3.433 14.925 -6.401 901 2HD PRO 117 1HD PRO 117 -4.759 13.829 -5.953 902 H LEU 118 H LEU 118 -2.436 11.109 -10.350 903 HA LEU 118 HA LEU 118 0.008 12.384 -10.744 904 1HB LEU 118 2HB LEU 118 -1.627 10.971 -12.864 905 2HB LEU 118 1HB LEU 118 0.121 11.211 -12.862 906 HG LEU 118 HG LEU 118 -1.218 9.798 -10.566 907 1HD1 LEU 118 1HD1 LEU 118 -1.941 8.674 -12.663 908 2HD1 LEU 118 2HD1 LEU 118 -0.848 7.664 -11.715 909 3HD1 LEU 118 3HD1 LEU 118 -0.251 8.515 -13.140 910 1HD2 LEU 118 1HD2 LEU 118 0.960 8.915 -10.190 911 2HD2 LEU 118 2HD2 LEU 118 1.226 10.609 -10.604 912 3HD2 LEU 118 3HD2 LEU 118 1.502 9.353 -11.811 913 H SER 119 H SER 119 0.702 14.083 -11.954 914 HA SER 119 HA SER 119 -1.394 15.727 -13.232 915 1HB SER 119 2HB SER 119 1.097 16.406 -11.720 916 2HB SER 119 1HB SER 119 0.510 17.521 -12.950 917 HG SER 119 HG SER 119 -1.219 16.437 -11.000 918 H GLU 120 H GLU 120 -0.022 17.385 -14.791 919 HA GLU 120 HA GLU 120 0.527 15.946 -17.113 920 1HB GLU 120 2HB GLU 120 0.009 18.325 -17.167 921 2HB GLU 120 1HB GLU 120 1.503 18.696 -16.305 922 1HG GLU 120 2HG GLU 120 1.786 19.064 -18.722 923 2HG GLU 120 1HG GLU 120 2.813 17.742 -18.170 924 H GLU 121 H GLU 121 2.630 16.878 -14.468 925 HA GLU 121 HA GLU 121 5.129 16.472 -15.675 926 1HB GLU 121 2HB GLU 121 4.268 16.030 -12.806 927 2HB GLU 121 1HB GLU 121 5.944 16.071 -13.356 928 1HG GLU 121 2HG GLU 121 5.575 18.366 -14.235 929 2HG GLU 121 1HG GLU 121 3.929 18.323 -13.606 930 H TYR 122 H TYR 122 2.872 14.201 -14.180 931 HA TYR 122 HA TYR 122 4.570 11.939 -14.189 932 1HB TYR 122 2HB TYR 122 2.597 11.826 -12.862 933 2HB TYR 122 1HB TYR 122 1.566 12.234 -14.236 934 HD1 TYR 122 1HD TYR 122 4.120 9.678 -13.218 935 HD2 TYR 122 2HD TYR 122 0.510 10.506 -15.393 936 HE1 TYR 122 1HE TYR 122 3.903 7.271 -13.772 937 HE2 TYR 122 2HE TYR 122 0.292 8.099 -15.948 938 HH TYR 122 HH TYR 122 2.282 6.062 -16.100 939 H ARG 123 H ARG 123 2.210 13.150 -16.554 940 HA ARG 123 HA ARG 123 2.389 11.056 -18.407 941 1HB ARG 123 2HB ARG 123 1.873 14.004 -18.869 942 2HB ARG 123 1HB ARG 123 1.600 12.736 -20.064 943 1HG ARG 123 2HG ARG 123 0.092 11.606 -18.362 944 2HG ARG 123 1HG ARG 123 0.218 13.076 -17.393 945 1HD ARG 123 2HD ARG 123 -0.647 14.393 -19.306 946 2HD ARG 123 1HD ARG 123 -0.812 12.908 -20.239 947 HE ARG 123 HE ARG 123 -2.742 12.436 -19.039 948 1HH1 ARG 123 1HH2 ARG 123 -0.850 14.858 -17.449 949 2HH1 ARG 123 2HH2 ARG 123 -2.052 15.206 -16.251 950 1HH2 ARG 123 1HH1 ARG 123 -4.323 12.889 -17.473 951 2HH2 ARG 123 2HH1 ARG 123 -4.018 14.091 -16.265 952 H GLN 124 H GLN 124 4.352 13.975 -18.011 953 HA GLN 124 HA GLN 124 5.948 13.591 -20.335 954 1HB GLN 124 2HB GLN 124 5.715 15.749 -19.070 955 2HB GLN 124 1HB GLN 124 6.718 15.048 -17.799 956 1HG GLN 124 2HG GLN 124 8.511 14.645 -19.480 957 2HG GLN 124 1HG GLN 124 7.517 15.446 -20.696 958 1HE2 GLN 124 1HE2 GLN 124 7.847 17.668 -20.891 959 2HE2 GLN 124 2HE2 GLN 124 8.562 18.649 -19.706 960 H HIS 125 H HIS 125 6.225 12.544 -16.978 961 HA HIS 125 HA HIS 125 8.857 11.584 -17.021 962 1HB HIS 125 2HB HIS 125 7.815 11.693 -14.907 963 2HB HIS 125 1HB HIS 125 6.411 10.779 -15.457 964 HD1 HIS 125 1HD HIS 125 10.052 10.337 -14.548 965 HD2 HIS 125 2HD HIS 125 6.698 7.988 -15.330 966 HE1 HIS 125 1HE HIS 125 10.656 7.976 -13.862 967 HE2 HIS 125 2HE HIS 125 8.625 6.529 -14.343 968 H GLN 126 H GLN 126 5.944 10.325 -18.419 969 HA GLN 126 HA GLN 126 6.845 7.627 -18.750 970 1HB GLN 126 2HB GLN 126 4.699 9.167 -20.230 971 2HB GLN 126 1HB GLN 126 4.928 7.419 -20.280 972 1HG GLN 126 2HG GLN 126 4.538 7.281 -17.857 973 2HG GLN 126 1HG GLN 126 4.348 9.032 -17.778 974 1HE2 GLN 126 1HE2 GLN 126 2.224 7.319 -16.961 975 2HE2 GLN 126 2HE2 GLN 126 0.949 7.470 -18.071 976 H ALA 127 H ALA 127 7.458 10.591 -20.371 977 HA ALA 127 HA ALA 127 7.914 9.777 -23.000 978 1HB ALA 127 1HB ALA 127 7.970 12.144 -22.044 979 2HB ALA 127 2HB ALA 127 9.192 11.763 -23.257 980 3HB ALA 127 3HB ALA 127 9.627 11.795 -21.549 981 H GLU 128 H GLU 128 10.264 9.989 -20.320 982 HA GLU 128 HA GLU 128 12.445 8.901 -21.732 983 1HB GLU 128 2HB GLU 128 13.549 8.791 -19.659 984 2HB GLU 128 1HB GLU 128 12.405 10.118 -19.451 985 1HG GLU 128 2HG GLU 128 10.782 8.341 -18.534 986 2HG GLU 128 1HG GLU 128 12.192 7.290 -18.418 987 H LYS 129 H LYS 129 9.746 7.418 -20.075 988 HA LYS 129 HA LYS 129 10.916 4.758 -20.173 989 1HB LYS 129 2HB LYS 129 8.223 5.808 -19.295 990 2HB LYS 129 1HB LYS 129 8.622 4.091 -19.321 991 1HG LYS 129 2HG LYS 129 10.532 4.504 -17.819 992 2HG LYS 129 1HG LYS 129 10.142 6.223 -17.792 993 1HD LYS 129 2HD LYS 129 8.073 5.839 -16.667 994 2HD LYS 129 1HD LYS 129 8.152 4.102 -16.967 995 1HE LYS 129 2HE LYS 129 8.780 4.766 -14.617 996 2HE LYS 129 1HE LYS 129 10.031 3.859 -15.467 997 1HZ LYS 129 1HZ LYS 129 10.576 6.081 -14.218 998 2HZ LYS 129 2HZ LYS 129 10.055 6.778 -15.678 999 3HZ LYS 129 3HZ LYS 129 11.353 5.680 -15.672 1000 H ASP 130 H ASP 130 9.510 6.761 -22.396 1001 HA ASP 130 HA ASP 130 8.534 6.456 -24.454 1002 1HB ASP 130 2HB ASP 130 10.608 5.084 -24.723 1003 2HB ASP 130 1HB ASP 130 9.687 3.669 -24.219 1004 H LYS 131 H LYS 131 6.765 6.166 -22.361 1005 HA LYS 131 HA LYS 131 4.696 5.325 -21.821 1006 1HB LYS 131 2HB LYS 131 4.317 5.963 -24.216 1007 2HB LYS 131 1HB LYS 131 4.706 4.303 -24.668 1008 1HG LYS 131 2HG LYS 131 2.873 3.491 -23.207 1009 2HG LYS 131 1HG LYS 131 2.462 5.161 -22.816 1010 1HD LYS 131 2HD LYS 131 2.123 5.584 -25.270 1011 2HD LYS 131 1HD LYS 131 2.357 3.858 -25.550 1012 1HE LYS 131 2HE LYS 131 0.479 3.432 -23.910 1013 2HE LYS 131 1HE LYS 131 0.172 5.169 -23.913 1014 1HZ LYS 131 1HZ LYS 131 -0.239 5.103 -26.257 1015 2HZ LYS 131 2HZ LYS 131 -1.213 3.929 -25.508 1016 3HZ LYS 131 3HZ LYS 131 0.192 3.465 -26.343 Start of MODEL 5 1 H MET 1 1H MET 1 -11.883 -27.476 5.110 2 HA MET 1 HA MET 1 -12.684 -29.163 6.603 3 1HB MET 1 2HB MET 1 -9.713 -28.677 6.979 4 2HB MET 1 1HB MET 1 -10.544 -30.227 7.108 5 1HG MET 1 2HG MET 1 -10.444 -28.522 4.602 6 2HG MET 1 1HG MET 1 -9.440 -29.942 4.897 7 1HE MET 1 1HE MET 1 -12.566 -30.402 2.267 8 2HE MET 1 2HE MET 1 -10.931 -29.757 2.390 9 3HE MET 1 3HE MET 1 -12.294 -28.800 2.965 10 H GLY 2 H GLY 2 -12.521 -26.350 7.995 11 1HA GLY 2 2HA GLY 2 -13.232 -25.818 10.171 12 2HA GLY 2 1HA GLY 2 -12.771 -27.435 10.694 13 H CYS 3 H CYS 3 -10.338 -26.113 8.814 14 HA CYS 3 HA CYS 3 -9.009 -24.657 10.958 15 1HB CYS 3 2HB CYS 3 -6.965 -26.166 10.713 16 2HB CYS 3 1HB CYS 3 -8.326 -26.838 11.611 17 HG CYS 3 HG CYS 3 -8.154 -27.519 8.586 18 H GLY 4 H GLY 4 -7.101 -23.552 10.240 19 1HA GLY 4 2HA GLY 4 -5.672 -23.522 8.010 20 2HA GLY 4 1HA GLY 4 -7.204 -22.919 7.386 21 H ALA 5 H ALA 5 -6.274 -22.197 10.652 22 HA ALA 5 HA ALA 5 -6.523 -19.407 10.312 23 1HB ALA 5 1HB ALA 5 -5.693 -19.229 12.582 24 2HB ALA 5 2HB ALA 5 -5.030 -20.862 12.506 25 3HB ALA 5 3HB ALA 5 -6.776 -20.618 12.483 26 H SER 6 H SER 6 -3.788 -21.580 10.073 27 HA SER 6 HA SER 6 -1.549 -21.207 9.637 28 1HB SER 6 2HB SER 6 -2.688 -19.015 7.894 29 2HB SER 6 1HB SER 6 -1.159 -19.859 7.672 30 HG SER 6 HG SER 6 -3.404 -20.529 6.627 31 H SER 7 H SER 7 -2.965 -19.463 11.750 32 HA SER 7 HA SER 7 -2.519 -17.585 13.032 33 1HB SER 7 2HB SER 7 -0.731 -19.255 13.622 34 2HB SER 7 1HB SER 7 0.330 -18.436 12.481 35 HG SER 7 HG SER 7 0.587 -16.883 13.876 36 H GLU 8 H GLU 8 -3.196 -16.549 10.735 37 HA GLU 8 HA GLU 8 -2.944 -14.773 9.298 38 1HB GLU 8 2HB GLU 8 -0.997 -13.894 11.444 39 2HB GLU 8 1HB GLU 8 -1.653 -12.858 10.175 40 1HG GLU 8 2HG GLU 8 -3.337 -14.354 12.204 41 2HG GLU 8 1HG GLU 8 -2.892 -12.654 12.340 42 H ASN 9 H ASN 9 -2.041 -15.288 7.402 43 HA ASN 9 HA ASN 9 0.450 -16.472 6.988 44 1HB ASN 9 2HB ASN 9 -1.163 -14.698 5.142 45 2HB ASN 9 1HB ASN 9 0.212 -15.678 4.637 46 1HD2 ASN 9 1HD2 ASN 9 -2.379 -16.146 3.541 47 2HD2 ASN 9 2HD2 ASN 9 -2.936 -17.650 4.098 48 H SER 10 H SER 10 -0.445 -13.083 7.279 49 HA SER 10 HA SER 10 0.815 -11.147 7.199 50 1HB SER 10 2HB SER 10 2.537 -13.068 8.766 51 2HB SER 10 1HB SER 10 2.944 -11.364 8.581 52 HG SER 10 HG SER 10 1.725 -11.478 10.398 53 H SER 11 H SER 11 1.271 -10.809 5.044 54 HA SER 11 HA SER 11 4.032 -11.256 4.259 55 1HB SER 11 2HB SER 11 3.494 -12.389 2.172 56 2HB SER 11 1HB SER 11 2.880 -13.331 3.528 57 HG SER 11 HG SER 11 1.521 -12.509 1.486 58 H VAL 12 H VAL 12 3.019 -10.860 1.398 59 HA VAL 12 HA VAL 12 2.109 -8.072 1.557 60 HB VAL 12 HB VAL 12 4.435 -8.816 -0.207 61 1HG1 VAL 12 1HG1 VAL 12 3.612 -6.154 0.976 62 2HG1 VAL 12 2HG1 VAL 12 3.009 -6.734 -0.576 63 3HG1 VAL 12 3HG1 VAL 12 4.734 -6.443 -0.353 64 1HG2 VAL 12 1HG2 VAL 12 5.901 -7.821 1.529 65 2HG2 VAL 12 2HG2 VAL 12 5.102 -9.278 2.118 66 3HG2 VAL 12 3HG2 VAL 12 4.515 -7.690 2.611 67 H THR 13 H THR 13 0.694 -7.555 -0.016 68 HA THR 13 HA THR 13 0.409 -9.445 -2.275 69 HB THR 13 HB THR 13 -1.893 -7.884 -1.130 70 HG1 THR 13 1HG THR 13 -0.823 -10.367 -0.298 71 1HG2 THR 13 1HG2 THR 13 -1.690 -10.506 -2.636 72 2HG2 THR 13 2HG2 THR 13 -2.109 -8.952 -3.356 73 3HG2 THR 13 3HG2 THR 13 -3.183 -9.691 -2.169 74 H TYR 14 H TYR 14 0.129 -8.592 -4.290 75 HA TYR 14 HA TYR 14 0.161 -5.639 -4.498 76 1HB TYR 14 2HB TYR 14 1.506 -7.660 -6.308 77 2HB TYR 14 1HB TYR 14 1.497 -5.914 -6.552 78 HD1 TYR 14 1HD TYR 14 2.173 -4.553 -4.299 79 HD2 TYR 14 2HD TYR 14 3.400 -8.548 -5.292 80 HE1 TYR 14 1HE TYR 14 4.127 -4.329 -2.787 81 HE2 TYR 14 2HE TYR 14 5.353 -8.324 -3.781 82 HH TYR 14 HH TYR 14 6.633 -6.794 -2.649 83 H VAL 15 H VAL 15 -0.511 -4.972 -6.824 84 HA VAL 15 HA VAL 15 -2.650 -6.690 -7.871 85 HB VAL 15 HB VAL 15 -4.103 -5.418 -6.647 86 1HG1 VAL 15 1HG1 VAL 15 -3.605 -3.051 -5.984 87 2HG1 VAL 15 2HG1 VAL 15 -2.055 -3.188 -6.811 88 3HG1 VAL 15 3HG1 VAL 15 -2.399 -4.201 -5.410 89 1HG2 VAL 15 1HG2 VAL 15 -5.076 -3.728 -8.023 90 2HG2 VAL 15 2HG2 VAL 15 -4.327 -4.864 -9.145 91 3HG2 VAL 15 3HG2 VAL 15 -3.525 -3.338 -8.768 92 H ASN 16 H ASN 16 -1.132 -3.480 -8.258 93 HA ASN 16 HA ASN 16 -1.548 -3.481 -11.105 94 1HB ASN 16 2HB ASN 16 0.089 -1.685 -9.304 95 2HB ASN 16 1HB ASN 16 -0.158 -1.408 -11.028 96 1HD2 ASN 16 1HD2 ASN 16 -1.428 -0.689 -7.971 97 2HD2 ASN 16 2HD2 ASN 16 -2.981 -0.207 -8.457 98 H GLY 17 H GLY 17 0.935 -4.564 -8.949 99 1HA GLY 17 2HA GLY 17 2.316 -6.196 -10.599 100 2HA GLY 17 1HA GLY 17 3.021 -4.624 -10.961 101 H ARG 18 H ARG 18 4.769 -6.349 -10.021 102 HA ARG 18 HA ARG 18 4.932 -6.150 -7.108 103 1HB ARG 18 2HB ARG 18 6.221 -7.787 -9.212 104 2HB ARG 18 1HB ARG 18 7.228 -7.384 -7.821 105 1HG ARG 18 2HG ARG 18 6.007 -9.497 -7.445 106 2HG ARG 18 1HG ARG 18 5.491 -8.255 -6.304 107 1HD ARG 18 2HD ARG 18 3.478 -7.840 -7.514 108 2HD ARG 18 1HD ARG 18 4.047 -8.747 -8.912 109 HE ARG 18 HE ARG 18 3.829 -10.308 -6.475 110 1HH1 ARG 18 1HH2 ARG 18 2.292 -9.125 -9.341 111 2HH1 ARG 18 2HH2 ARG 18 1.105 -10.386 -9.391 112 1HH2 ARG 18 1HH1 ARG 18 2.274 -11.964 -6.534 113 2HH2 ARG 18 2HH1 ARG 18 1.095 -11.992 -7.802 114 HA PRO 19 HA PRO 19 7.782 -2.791 -7.117 115 1HB PRO 19 2HB PRO 19 9.247 -3.984 -4.882 116 2HB PRO 19 1HB PRO 19 8.177 -2.569 -4.893 117 1HG PRO 19 2HG PRO 19 7.500 -4.859 -3.681 118 2HG PRO 19 1HG PRO 19 6.308 -3.807 -4.461 119 1HD PRO 19 2HD PRO 19 7.535 -6.357 -5.509 120 2HD PRO 19 1HD PRO 19 5.835 -5.842 -5.534 121 H THR 20 H THR 20 9.738 -2.229 -7.994 122 HA THR 20 HA THR 20 11.347 -4.286 -9.192 123 HB THR 20 HB THR 20 12.570 -2.500 -10.200 124 HG1 THR 20 1HG THR 20 12.874 -1.299 -8.273 125 1HG2 THR 20 1HG2 THR 20 10.158 -2.799 -10.887 126 2HG2 THR 20 2HG2 THR 20 10.812 -1.192 -11.202 127 3HG2 THR 20 3HG2 THR 20 9.754 -1.458 -9.816 128 H PHE 21 H PHE 21 11.322 -2.741 -6.165 129 HA PHE 21 HA PHE 21 14.084 -3.661 -5.637 130 1HB PHE 21 2HB PHE 21 13.749 -1.159 -5.559 131 2HB PHE 21 1HB PHE 21 12.660 -1.418 -4.195 132 HD1 PHE 21 1HD PHE 21 13.500 -1.776 -2.010 133 HD2 PHE 21 2HD PHE 21 16.143 -2.025 -5.388 134 HE1 PHE 21 1HE PHE 21 15.446 -1.906 -0.479 135 HE2 PHE 21 2HE PHE 21 18.088 -2.156 -3.856 136 HZ PHE 21 HZ PHE 21 17.740 -2.097 -1.402 137 H VAL 22 H VAL 22 14.479 -4.628 -3.604 138 HA VAL 22 HA VAL 22 12.100 -5.337 -2.015 139 HB VAL 22 HB VAL 22 12.636 -7.178 -3.633 140 1HG1 VAL 22 1HG1 VAL 22 14.678 -8.409 -3.422 141 2HG1 VAL 22 2HG1 VAL 22 15.131 -7.537 -1.958 142 3HG1 VAL 22 3HG1 VAL 22 15.142 -6.711 -3.516 143 1HG2 VAL 22 1HG2 VAL 22 12.195 -8.837 -2.054 144 2HG2 VAL 22 2HG2 VAL 22 11.735 -7.388 -1.160 145 3HG2 VAL 22 3HG2 VAL 22 13.302 -8.144 -0.869 146 H GLY 23 H GLY 23 12.919 -6.621 0.017 147 1HA GLY 23 2HA GLY 23 15.532 -5.861 0.991 148 2HA GLY 23 1HA GLY 23 14.213 -4.966 1.740 149 H GLU 24 H GLU 24 13.363 -5.829 3.523 150 HA GLU 24 HA GLU 24 13.252 -8.746 3.817 151 1HB GLU 24 2HB GLU 24 14.469 -6.919 5.904 152 2HB GLU 24 1HB GLU 24 14.221 -8.659 6.061 153 1HG GLU 24 2HG GLU 24 15.682 -8.989 4.048 154 2HG GLU 24 1HG GLU 24 16.024 -7.260 4.067 155 H GLU 25 H GLU 25 12.638 -5.719 5.618 156 HA GLU 25 HA GLU 25 10.128 -6.844 6.625 157 1HB GLU 25 2HB GLU 25 11.721 -5.621 8.138 158 2HB GLU 25 1HB GLU 25 11.365 -4.151 7.230 159 1HG GLU 25 2HG GLU 25 9.911 -4.184 9.157 160 2HG GLU 25 1HG GLU 25 8.923 -4.526 7.737 161 H VAL 26 H VAL 26 8.198 -6.364 5.790 162 HA VAL 26 HA VAL 26 7.903 -3.918 4.177 163 HB VAL 26 HB VAL 26 6.758 -6.570 3.302 164 1HG1 VAL 26 1HG1 VAL 26 5.692 -4.470 2.486 165 2HG1 VAL 26 2HG1 VAL 26 6.453 -5.383 1.183 166 3HG1 VAL 26 3HG1 VAL 26 7.252 -3.956 1.843 167 1HG2 VAL 26 1HG2 VAL 26 9.132 -6.879 3.184 168 2HG2 VAL 26 2HG2 VAL 26 9.382 -5.238 2.589 169 3HG2 VAL 26 3HG2 VAL 26 8.617 -6.444 1.554 170 H THR 27 H THR 27 6.046 -2.847 4.542 171 HA THR 27 HA THR 27 3.750 -4.239 5.703 172 HB THR 27 HB THR 27 5.287 -3.363 7.568 173 HG1 THR 27 1HG THR 27 3.080 -3.857 7.860 174 1HG2 THR 27 1HG2 THR 27 4.054 -0.709 6.846 175 2HG2 THR 27 2HG2 THR 27 5.643 -1.175 6.243 176 3HG2 THR 27 3HG2 THR 27 5.364 -1.039 7.980 177 H LYS 28 H LYS 28 1.800 -2.910 5.688 178 HA LYS 28 HA LYS 28 1.684 -1.265 3.312 179 1HB LYS 28 2HB LYS 28 -0.781 -1.053 4.123 180 2HB LYS 28 1HB LYS 28 -0.208 -2.618 3.545 181 1HG LYS 28 2HG LYS 28 0.067 -3.452 5.760 182 2HG LYS 28 1HG LYS 28 -0.094 -1.842 6.464 183 1HD LYS 28 2HD LYS 28 -2.171 -3.168 6.738 184 2HD LYS 28 1HD LYS 28 -2.438 -1.740 5.737 185 1HE LYS 28 2HE LYS 28 -3.407 -3.982 4.889 186 2HE LYS 28 1HE LYS 28 -2.494 -3.005 3.741 187 1HZ LYS 28 1HZ LYS 28 -0.587 -4.348 4.051 188 2HZ LYS 28 2HZ LYS 28 -1.889 -5.409 3.797 189 3HZ LYS 28 3HZ LYS 28 -1.280 -5.167 5.365 190 H GLY 29 H GLY 29 2.011 0.856 3.277 191 1HA GLY 29 2HA GLY 29 2.609 2.446 5.482 192 2HA GLY 29 1HA GLY 29 2.096 3.066 3.916 193 H PHE 30 H PHE 30 -0.328 2.893 3.508 194 HA PHE 30 HA PHE 30 -1.700 4.242 5.630 195 1HB PHE 30 2HB PHE 30 -2.795 3.107 3.046 196 2HB PHE 30 1HB PHE 30 -3.601 4.274 4.095 197 HD1 PHE 30 1HD PHE 30 -2.583 6.550 4.438 198 HD2 PHE 30 2HD PHE 30 -1.101 3.786 1.503 199 HE1 PHE 30 1HE PHE 30 -1.393 8.401 3.295 200 HE2 PHE 30 2HE PHE 30 0.090 5.637 0.361 201 HZ PHE 30 HZ PHE 30 -0.057 7.944 1.257 202 H GLU 31 H GLU 31 -4.169 2.600 4.519 203 HA GLU 31 HA GLU 31 -3.971 0.038 5.754 204 1HB GLU 31 2HB GLU 31 -4.003 1.665 7.739 205 2HB GLU 31 1HB GLU 31 -5.679 1.989 7.292 206 1HG GLU 31 2HG GLU 31 -6.149 -0.457 7.428 207 2HG GLU 31 1HG GLU 31 -4.498 -0.715 7.988 208 H LYS 32 H LYS 32 -4.829 0.656 3.286 209 HA LYS 32 HA LYS 32 -7.614 -0.176 3.372 210 1HB LYS 32 2HB LYS 32 -7.508 2.405 3.363 211 2HB LYS 32 1HB LYS 32 -6.946 2.237 1.699 212 1HG LYS 32 2HG LYS 32 -9.236 2.358 1.353 213 2HG LYS 32 1HG LYS 32 -9.029 0.612 1.502 214 1HD LYS 32 2HD LYS 32 -10.756 0.938 3.011 215 2HD LYS 32 1HD LYS 32 -9.371 1.138 4.084 216 1HE LYS 32 2HE LYS 32 -9.468 3.590 3.736 217 2HE LYS 32 1HE LYS 32 -10.881 3.376 2.702 218 1HZ LYS 32 1HZ LYS 32 -11.621 2.021 4.876 219 2HZ LYS 32 2HZ LYS 32 -11.981 3.661 4.620 220 3HZ LYS 32 3HZ LYS 32 -10.656 3.221 5.587 221 H ASP 33 H ASP 33 -8.315 -1.138 1.433 222 HA ASP 33 HA ASP 33 -8.071 -2.356 -0.499 223 1HB ASP 33 2HB ASP 33 -7.503 -0.013 -1.340 224 2HB ASP 33 1HB ASP 33 -5.811 -0.485 -1.204 225 H ASN 34 H ASN 34 -5.213 -2.274 -1.760 226 HA ASN 34 HA ASN 34 -4.289 -4.649 -0.331 227 1HB ASN 34 2HB ASN 34 -2.842 -5.010 -2.225 228 2HB ASN 34 1HB ASN 34 -4.445 -4.598 -2.831 229 1HD2 ASN 34 1HD2 ASN 34 -4.757 -2.313 -3.596 230 2HD2 ASN 34 2HD2 ASN 34 -3.412 -1.436 -4.149 231 H GLY 35 H GLY 35 -3.979 -1.603 0.406 232 1HA GLY 35 2HA GLY 35 -2.401 -0.853 2.043 233 2HA GLY 35 1HA GLY 35 -1.189 -1.896 1.306 234 H LEU 36 H LEU 36 -2.345 -0.857 -1.379 235 HA LEU 36 HA LEU 36 -1.783 0.743 -2.928 236 1HB LEU 36 2HB LEU 36 -1.475 2.657 -0.616 237 2HB LEU 36 1HB LEU 36 -1.940 3.020 -2.279 238 HG LEU 36 HG LEU 36 -3.561 1.455 -0.250 239 1HD1 LEU 36 1HD1 LEU 36 -3.762 3.804 0.162 240 2HD1 LEU 36 2HD1 LEU 36 -5.197 3.349 -0.757 241 3HD1 LEU 36 3HD1 LEU 36 -3.856 4.166 -1.562 242 1HD2 LEU 36 1HD2 LEU 36 -3.912 1.933 -3.213 243 2HD2 LEU 36 2HD2 LEU 36 -5.288 1.588 -2.167 244 3HD2 LEU 36 3HD2 LEU 36 -3.990 0.406 -2.335 245 H LEU 37 H LEU 37 0.124 1.984 -0.197 246 HA LEU 37 HA LEU 37 2.547 1.623 -1.846 247 1HB LEU 37 2HB LEU 37 1.981 3.956 -1.193 248 2HB LEU 37 1HB LEU 37 2.118 3.484 0.502 249 HG LEU 37 HG LEU 37 4.476 2.604 -0.182 250 1HD1 LEU 37 1HD1 LEU 37 3.712 3.221 -2.678 251 2HD1 LEU 37 2HD1 LEU 37 5.397 3.325 -2.168 252 3HD1 LEU 37 3HD1 LEU 37 4.401 4.779 -2.223 253 1HD2 LEU 37 1HD2 LEU 37 4.359 4.426 1.327 254 2HD2 LEU 37 2HD2 LEU 37 3.659 5.496 0.113 255 3HD2 LEU 37 3HD2 LEU 37 5.357 5.030 0.005 256 H PHE 38 H PHE 38 4.178 0.369 -1.141 257 HA PHE 38 HA PHE 38 3.898 -0.844 1.539 258 1HB PHE 38 2HB PHE 38 5.392 -1.923 -0.862 259 2HB PHE 38 1HB PHE 38 5.118 -2.753 0.671 260 HD1 PHE 38 1HD PHE 38 2.919 -3.631 1.263 261 HD2 PHE 38 2HD PHE 38 3.563 -1.580 -2.457 262 HE1 PHE 38 1HE PHE 38 0.739 -4.464 0.427 263 HE2 PHE 38 2HE PHE 38 1.382 -2.414 -3.294 264 HZ PHE 38 HZ PHE 38 -0.030 -3.856 -1.852 265 H ARG 39 H ARG 39 5.555 -0.726 2.972 266 HA ARG 39 HA ARG 39 7.758 1.072 2.301 267 1HB ARG 39 2HB ARG 39 6.354 1.192 4.453 268 2HB ARG 39 1HB ARG 39 7.273 -0.218 4.979 269 1HG ARG 39 2HG ARG 39 9.377 1.007 4.663 270 2HG ARG 39 1HG ARG 39 8.483 2.414 4.084 271 1HD ARG 39 2HD ARG 39 8.326 1.189 6.849 272 2HD ARG 39 1HD ARG 39 9.035 2.745 6.429 273 HE ARG 39 HE ARG 39 6.476 2.984 5.542 274 1HH1 ARG 39 1HH2 ARG 39 7.923 1.960 8.514 275 2HH1 ARG 39 2HH2 ARG 39 6.610 2.509 9.502 276 1HH2 ARG 39 1HH1 ARG 39 4.751 3.706 6.830 277 2HH2 ARG 39 2HH1 ARG 39 4.815 3.498 8.548 278 H ILE 40 H ILE 40 9.323 0.030 1.186 279 HA ILE 40 HA ILE 40 10.144 -2.662 1.965 280 HB ILE 40 HB ILE 40 11.259 -0.878 -0.211 281 1HG1 ILE 40 2HG1 ILE 40 9.206 -3.097 -0.455 282 2HG1 ILE 40 1HG1 ILE 40 8.784 -1.384 -0.402 283 1HG2 ILE 40 1HG2 ILE 40 11.879 -3.188 -1.133 284 2HG2 ILE 40 2HG2 ILE 40 11.499 -3.815 0.471 285 3HG2 ILE 40 3HG2 ILE 40 12.797 -2.637 0.269 286 1HD1 ILE 40 1HD1 ILE 40 9.916 -0.931 -2.439 287 2HD1 ILE 40 2HD1 ILE 40 9.055 -2.441 -2.733 288 3HD1 ILE 40 3HD1 ILE 40 10.785 -2.463 -2.391 289 H VAL 41 H VAL 41 11.766 -3.051 3.325 290 HA VAL 41 HA VAL 41 13.849 -0.989 3.685 291 HB VAL 41 HB VAL 41 12.565 -2.572 5.923 292 1HG1 VAL 41 1HG1 VAL 41 14.813 -2.066 6.515 293 2HG1 VAL 41 2HG1 VAL 41 13.846 -0.799 7.270 294 3HG1 VAL 41 3HG1 VAL 41 14.729 -0.465 5.779 295 1HG2 VAL 41 1HG2 VAL 41 11.087 -0.811 4.887 296 2HG2 VAL 41 2HG2 VAL 41 12.324 0.383 5.280 297 3HG2 VAL 41 3HG2 VAL 41 11.500 -0.491 6.571 298 H ASN 42 H ASN 42 15.846 -1.772 3.489 299 HA ASN 42 HA ASN 42 16.218 -4.699 3.630 300 1HB ASN 42 2HB ASN 42 16.719 -3.369 1.470 301 2HB ASN 42 1HB ASN 42 18.138 -2.780 2.333 302 1HD2 ASN 42 1HD2 ASN 42 16.683 -6.047 2.585 303 2HD2 ASN 42 2HD2 ASN 42 18.047 -6.865 1.991 304 H LYS 43 H LYS 43 16.849 -5.162 5.666 305 HA LYS 43 HA LYS 43 18.241 -3.480 7.416 306 1HB LYS 43 2HB LYS 43 18.119 -6.502 7.306 307 2HB LYS 43 1HB LYS 43 18.777 -5.582 8.659 308 1HG LYS 43 2HG LYS 43 16.568 -4.385 8.826 309 2HG LYS 43 1HG LYS 43 15.936 -5.495 7.610 310 1HD LYS 43 2HD LYS 43 16.575 -7.408 9.092 311 2HD LYS 43 1HD LYS 43 17.049 -6.242 10.329 312 1HE LYS 43 2HE LYS 43 14.721 -7.121 10.642 313 2HE LYS 43 1HE LYS 43 14.783 -5.369 10.447 314 1HZ LYS 43 1HZ LYS 43 14.504 -6.953 8.019 315 2HZ LYS 43 2HZ LYS 43 13.804 -5.461 8.431 316 3HZ LYS 43 3HZ LYS 43 13.157 -6.906 9.048 317 H LYS 44 H LYS 44 19.391 -5.639 4.908 318 HA LYS 44 HA LYS 44 22.064 -5.927 5.645 319 1HB LYS 44 2HB LYS 44 20.954 -7.096 3.738 320 2HB LYS 44 1HB LYS 44 21.012 -5.586 2.828 321 1HG LYS 44 2HG LYS 44 23.419 -5.555 2.879 322 2HG LYS 44 1HG LYS 44 23.466 -6.903 4.017 323 1HD LYS 44 2HD LYS 44 23.951 -7.704 1.750 324 2HD LYS 44 1HD LYS 44 22.411 -8.360 2.307 325 1HE LYS 44 2HE LYS 44 21.157 -6.928 0.932 326 2HE LYS 44 1HE LYS 44 22.489 -5.785 0.749 327 1HZ LYS 44 1HZ LYS 44 23.047 -8.459 -0.193 328 2HZ LYS 44 2HZ LYS 44 23.376 -6.959 -0.919 329 3HZ LYS 44 3HZ LYS 44 21.831 -7.653 -1.058 330 H LYS 45 H LYS 45 20.658 -3.458 3.479 331 HA LYS 45 HA LYS 45 23.081 -1.827 3.871 332 1HB LYS 45 2HB LYS 45 20.866 -1.483 1.837 333 2HB LYS 45 1HB LYS 45 22.405 -0.621 1.879 334 1HG LYS 45 2HG LYS 45 22.138 -3.628 1.595 335 2HG LYS 45 1HG LYS 45 22.395 -2.519 0.248 336 1HD LYS 45 2HD LYS 45 24.438 -1.678 1.622 337 2HD LYS 45 1HD LYS 45 24.264 -3.190 2.513 338 1HE LYS 45 2HE LYS 45 24.337 -4.415 0.319 339 2HE LYS 45 1HE LYS 45 24.701 -2.881 -0.470 340 1HZ LYS 45 1HZ LYS 45 26.673 -2.670 0.879 341 2HZ LYS 45 2HZ LYS 45 26.705 -4.153 0.052 342 3HZ LYS 45 3HZ LYS 45 26.311 -4.106 1.704 343 H LYS 46 H LYS 46 20.026 -2.170 5.110 344 HA LYS 46 HA LYS 46 18.622 -0.825 6.338 345 1HB LYS 46 2HB LYS 46 21.358 0.218 6.798 346 2HB LYS 46 1HB LYS 46 20.031 1.279 7.270 347 1HG LYS 46 2HG LYS 46 19.987 -1.626 8.050 348 2HG LYS 46 1HG LYS 46 20.918 -0.467 9.001 349 1HD LYS 46 2HD LYS 46 19.049 0.590 9.796 350 2HD LYS 46 1HD LYS 46 18.145 0.339 8.301 351 1HE LYS 46 2HE LYS 46 17.460 -0.995 10.455 352 2HE LYS 46 1HE LYS 46 17.498 -1.826 8.900 353 1HZ LYS 46 1HZ LYS 46 19.518 -2.830 9.398 354 2HZ LYS 46 2HZ LYS 46 18.665 -2.923 10.864 355 3HZ LYS 46 3HZ LYS 46 19.872 -1.745 10.653 356 H GLN 47 H GLN 47 18.828 -0.330 3.465 357 HA GLN 47 HA GLN 47 18.370 2.578 3.322 358 1HB GLN 47 2HB GLN 47 18.544 2.299 0.891 359 2HB GLN 47 1HB GLN 47 19.966 1.633 1.697 360 1HG GLN 47 2HG GLN 47 18.704 -0.617 1.662 361 2HG GLN 47 1HG GLN 47 17.635 0.147 0.487 362 1HE2 GLN 47 1HE2 GLN 47 20.225 1.775 -0.331 363 2HE2 GLN 47 2HE2 GLN 47 21.006 0.701 -1.388 364 H TRP 48 H TRP 48 16.361 3.341 3.226 365 HA TRP 48 HA TRP 48 14.124 1.497 3.046 366 1HB TRP 48 2HB TRP 48 14.310 4.479 3.503 367 2HB TRP 48 1HB TRP 48 12.780 3.609 3.402 368 HD1 TRP 48 HD TRP 48 15.462 1.559 4.941 369 HE1 TRP 48 1HE TRP 48 15.138 1.434 7.497 370 HE3 TRP 48 3HE TRP 48 11.924 5.190 5.562 371 HZ2 TRP 48 2HZ TRP 48 13.583 2.706 9.534 372 HZ3 TRP 48 3HZ TRP 48 11.040 5.712 7.817 373 HH2 TRP 48 HH TRP 48 11.864 4.477 9.802 374 H ALA 49 H ALA 49 12.541 1.491 1.459 375 HA ALA 49 HA ALA 49 12.882 3.228 -0.875 376 1HB ALA 49 1HB ALA 49 13.180 0.239 -0.874 377 2HB ALA 49 2HB ALA 49 14.162 1.452 -1.694 378 3HB ALA 49 3HB ALA 49 12.551 1.068 -2.298 379 H TYR 50 H TYR 50 10.999 3.463 -2.117 380 HA TYR 50 HA TYR 50 8.570 2.255 -0.935 381 1HB TYR 50 2HB TYR 50 9.048 5.069 -1.917 382 2HB TYR 50 1HB TYR 50 7.430 4.404 -1.688 383 HD1 TYR 50 1HD TYR 50 10.250 5.940 -0.087 384 HD2 TYR 50 2HD TYR 50 6.872 3.380 0.614 385 HE1 TYR 50 1HE TYR 50 10.399 6.408 2.344 386 HE2 TYR 50 2HE TYR 50 7.021 3.849 3.044 387 HH TYR 50 HH TYR 50 8.806 4.578 4.667 388 H TYR 51 H TYR 51 6.938 1.632 -2.335 389 HA TYR 51 HA TYR 51 7.499 1.863 -5.225 390 1HB TYR 51 2HB TYR 51 8.152 -0.367 -4.720 391 2HB TYR 51 1HB TYR 51 6.762 -0.613 -3.663 392 HD1 TYR 51 1HD TYR 51 4.762 -1.508 -4.517 393 HD2 TYR 51 2HD TYR 51 7.675 0.132 -7.215 394 HE1 TYR 51 1HE TYR 51 3.438 -2.332 -6.447 395 HE2 TYR 51 2HE TYR 51 6.353 -0.691 -9.144 396 HH TYR 51 HH TYR 51 3.240 -2.362 -8.659 397 H ASN 52 H ASN 52 5.850 2.780 -6.255 398 HA ASN 52 HA ASN 52 3.249 2.963 -4.927 399 1HB ASN 52 2HB ASN 52 4.265 5.003 -5.875 400 2HB ASN 52 1HB ASN 52 4.241 4.262 -7.475 401 1HD2 ASN 52 1HD2 ASN 52 2.815 6.602 -7.266 402 2HD2 ASN 52 2HD2 ASN 52 1.146 6.291 -7.228 403 H ASP 53 H ASP 53 1.412 2.011 -5.642 404 HA ASP 53 HA ASP 53 1.661 0.228 -7.988 405 1HB ASP 53 2HB ASP 53 -0.027 -1.182 -6.945 406 2HB ASP 53 1HB ASP 53 1.303 -0.924 -5.818 407 H THR 54 H THR 54 -0.390 2.560 -6.316 408 HA THR 54 HA THR 54 -2.662 2.429 -7.946 409 HB THR 54 HB THR 54 -2.923 4.889 -7.256 410 HG1 THR 54 1HG THR 54 -0.852 5.474 -6.867 411 1HG2 THR 54 1HG2 THR 54 -2.490 2.708 -5.198 412 2HG2 THR 54 2HG2 THR 54 -4.000 3.103 -6.019 413 3HG2 THR 54 3HG2 THR 54 -3.302 4.239 -4.866 414 H THR 55 H THR 55 -2.952 2.868 -10.030 415 HA THR 55 HA THR 55 -0.877 4.361 -11.474 416 HB THR 55 HB THR 55 -2.033 3.480 -13.502 417 HG1 THR 55 1HG THR 55 -3.443 1.634 -12.069 418 1HG2 THR 55 1HG2 THR 55 -1.210 1.243 -13.261 419 2HG2 THR 55 2HG2 THR 55 -1.427 1.285 -11.512 420 3HG2 THR 55 3HG2 THR 55 -0.172 2.267 -12.269 421 H GLN 56 H GLN 56 -3.306 5.349 -9.754 422 HA GLN 56 HA GLN 56 -4.202 7.350 -11.740 423 1HB GLN 56 2HB GLN 56 -6.270 7.381 -10.045 424 2HB GLN 56 1HB GLN 56 -6.208 6.284 -11.425 425 1HG GLN 56 2HG GLN 56 -5.068 5.496 -8.746 426 2HG GLN 56 1HG GLN 56 -6.775 5.264 -9.120 427 1HE2 GLN 56 1HE2 GLN 56 -4.486 3.244 -8.773 428 2HE2 GLN 56 2HE2 GLN 56 -4.549 2.305 -10.186 429 H TYR 57 H TYR 57 -2.727 6.709 -8.753 430 HA TYR 57 HA TYR 57 -2.720 9.587 -8.130 431 1HB TYR 57 2HB TYR 57 -2.897 7.614 -5.883 432 2HB TYR 57 1HB TYR 57 -3.357 9.316 -5.917 433 HD1 TYR 57 1HD TYR 57 -5.259 9.902 -7.702 434 HD2 TYR 57 2HD TYR 57 -4.597 6.023 -5.979 435 HE1 TYR 57 1HE TYR 57 -7.592 9.261 -8.245 436 HE2 TYR 57 2HE TYR 57 -6.931 5.383 -6.522 437 HH TYR 57 HH TYR 57 -8.752 6.716 -8.656 438 H GLU 58 H GLU 58 -0.824 10.345 -7.225 439 HA GLU 58 HA GLU 58 1.465 8.528 -7.394 440 1HB GLU 58 2HB GLU 58 2.555 10.922 -6.770 441 2HB GLU 58 1HB GLU 58 2.173 10.435 -8.423 442 1HG GLU 58 2HG GLU 58 0.030 11.565 -8.321 443 2HG GLU 58 1HG GLU 58 0.259 11.932 -6.612 444 H MET 59 H MET 59 2.881 8.146 -5.690 445 HA MET 59 HA MET 59 1.701 8.513 -3.032 446 1HB MET 59 2HB MET 59 3.715 6.654 -4.223 447 2HB MET 59 1HB MET 59 3.783 6.976 -2.489 448 1HG MET 59 2HG MET 59 2.320 4.996 -3.255 449 2HG MET 59 1HG MET 59 1.590 6.147 -2.136 450 1HE MET 59 1HE MET 59 -0.848 6.087 -2.507 451 2HE MET 59 2HE MET 59 -0.428 4.538 -3.232 452 3HE MET 59 3HE MET 59 -1.581 5.597 -4.040 453 H HIS 60 H HIS 60 2.314 10.199 -1.853 454 HA HIS 60 HA HIS 60 4.998 11.347 -2.290 455 1HB HIS 60 2HB HIS 60 2.533 12.545 -1.002 456 2HB HIS 60 1HB HIS 60 4.089 13.359 -1.164 457 HD1 HIS 60 1HD HIS 60 4.431 14.641 -3.282 458 HD2 HIS 60 2HD HIS 60 1.442 11.764 -3.691 459 HE1 HIS 60 1HE HIS 60 3.448 14.953 -5.595 460 HE2 HIS 60 2HE HIS 60 1.624 13.206 -5.860 461 H VAL 61 H VAL 61 6.510 10.994 -0.797 462 HA VAL 61 HA VAL 61 5.656 9.988 1.843 463 HB VAL 61 HB VAL 61 8.249 9.688 0.315 464 1HG1 VAL 61 1HG1 VAL 61 7.512 9.004 3.167 465 2HG1 VAL 61 2HG1 VAL 61 8.906 9.919 2.592 466 3HG1 VAL 61 3HG1 VAL 61 8.817 8.180 2.313 467 1HG2 VAL 61 1HG2 VAL 61 7.659 7.310 0.371 468 2HG2 VAL 61 2HG2 VAL 61 6.338 8.230 -0.348 469 3HG2 VAL 61 3HG2 VAL 61 6.216 7.669 1.320 470 H LEU 62 H LEU 62 6.106 11.090 3.654 471 HA LEU 62 HA LEU 62 8.138 13.207 3.604 472 1HB LEU 62 2HB LEU 62 5.961 14.283 3.063 473 2HB LEU 62 1HB LEU 62 5.310 13.669 4.584 474 HG LEU 62 HG LEU 62 7.238 14.854 5.748 475 1HD1 LEU 62 1HD1 LEU 62 7.599 15.793 2.915 476 2HD1 LEU 62 2HD1 LEU 62 8.821 15.298 4.085 477 3HD1 LEU 62 3HD1 LEU 62 8.025 16.862 4.250 478 1HD2 LEU 62 1HD2 LEU 62 6.150 17.114 5.504 479 2HD2 LEU 62 2HD2 LEU 62 5.008 15.807 5.815 480 3HD2 LEU 62 3HD2 LEU 62 5.188 16.450 4.183 481 H VAL 63 H VAL 63 9.404 11.970 4.993 482 HA VAL 63 HA VAL 63 8.240 11.410 7.653 483 HB VAL 63 HB VAL 63 10.651 10.136 6.340 484 1HG1 VAL 63 1HG1 VAL 63 10.426 8.525 8.228 485 2HG1 VAL 63 2HG1 VAL 63 9.151 9.536 8.907 486 3HG1 VAL 63 3HG1 VAL 63 10.796 10.158 8.781 487 1HG2 VAL 63 1HG2 VAL 63 9.266 8.251 5.890 488 2HG2 VAL 63 2HG2 VAL 63 8.325 9.644 5.359 489 3HG2 VAL 63 3HG2 VAL 63 7.962 8.872 6.901 490 H THR 64 H THR 64 9.056 12.421 9.383 491 HA THR 64 HA THR 64 11.502 14.041 9.008 492 HB THR 64 HB THR 64 9.245 14.462 10.983 493 HG1 THR 64 1HG THR 64 8.337 15.484 9.415 494 1HG2 THR 64 1HG2 THR 64 10.408 16.733 11.147 495 2HG2 THR 64 2HG2 THR 64 11.770 15.982 10.318 496 3HG2 THR 64 3HG2 THR 64 11.251 15.373 11.889 497 H PHE 65 H PHE 65 13.227 13.616 10.254 498 HA PHE 65 HA PHE 65 12.862 11.723 12.499 499 1HB PHE 65 2HB PHE 65 15.516 12.091 11.178 500 2HB PHE 65 1HB PHE 65 14.827 10.656 11.936 501 HD1 PHE 65 1HD PHE 65 13.624 9.052 10.665 502 HD2 PHE 65 2HD PHE 65 14.571 12.875 8.952 503 HE1 PHE 65 1HE PHE 65 12.850 8.250 8.450 504 HE2 PHE 65 2HE PHE 65 13.796 12.074 6.736 505 HZ PHE 65 HZ PHE 65 12.935 9.762 6.485 506 H ASN 66 H ASN 66 14.370 11.963 14.294 507 HA ASN 66 HA ASN 66 14.616 14.709 15.108 508 1HB ASN 66 2HB ASN 66 14.095 12.733 16.622 509 2HB ASN 66 1HB ASN 66 15.798 12.300 16.491 510 1HD2 ASN 66 1HD2 ASN 66 17.067 13.173 18.128 511 2HD2 ASN 66 2HD2 ASN 66 16.724 14.609 18.966 512 H GLU 67 H GLU 67 16.584 15.753 15.751 513 HA GLU 67 HA GLU 67 18.596 15.820 13.868 514 1HB GLU 67 2HB GLU 67 18.497 17.626 15.383 515 2HB GLU 67 1HB GLU 67 18.580 16.564 16.789 516 1HG GLU 67 2HG GLU 67 20.870 16.116 16.468 517 2HG GLU 67 1HG GLU 67 20.833 16.655 14.789 518 H ASP 68 H ASP 68 18.516 13.966 16.899 519 HA ASP 68 HA ASP 68 21.094 12.758 16.404 520 1HB ASP 68 2HB ASP 68 20.196 13.206 18.698 521 2HB ASP 68 1HB ASP 68 18.982 11.960 18.416 522 H CYS 69 H CYS 69 20.433 11.988 14.212 523 HA CYS 69 HA CYS 69 19.633 9.199 14.406 524 1HB CYS 69 2HB CYS 69 18.129 11.042 12.540 525 2HB CYS 69 1HB CYS 69 17.836 9.325 12.815 526 HG CYS 69 HG CYS 69 17.279 11.536 14.959 527 H ASP 70 H ASP 70 21.212 8.197 13.346 528 HA ASP 70 HA ASP 70 22.787 9.525 11.332 529 1HB ASP 70 2HB ASP 70 22.778 6.766 12.533 530 2HB ASP 70 1HB ASP 70 23.780 7.143 11.132 531 H ILE 71 H ILE 71 21.053 10.002 9.820 532 HA ILE 71 HA ILE 71 20.373 7.664 8.139 533 HB ILE 71 HB ILE 71 18.277 8.831 7.547 534 1HG1 ILE 71 2HG1 ILE 71 19.188 10.802 9.671 535 2HG1 ILE 71 1HG1 ILE 71 19.050 11.137 7.944 536 1HG2 ILE 71 1HG2 ILE 71 17.126 8.412 9.643 537 2HG2 ILE 71 2HG2 ILE 71 18.630 8.580 10.549 538 3HG2 ILE 71 3HG2 ILE 71 18.402 7.209 9.462 539 1HD1 ILE 71 1HD1 ILE 71 17.038 11.976 8.900 540 2HD1 ILE 71 2HD1 ILE 71 16.830 10.543 9.907 541 3HD1 ILE 71 3HD1 ILE 71 16.592 10.436 8.163 542 H LYS 72 H LYS 72 20.218 8.068 5.866 543 HA LYS 72 HA LYS 72 21.586 10.534 4.975 544 1HB LYS 72 2HB LYS 72 22.039 7.707 3.992 545 2HB LYS 72 1HB LYS 72 22.706 9.153 3.232 546 1HG LYS 72 2HG LYS 72 23.990 9.693 5.189 547 2HG LYS 72 1HG LYS 72 23.162 8.462 6.144 548 1HD LYS 72 2HD LYS 72 25.417 7.712 5.404 549 2HD LYS 72 1HD LYS 72 24.130 6.692 4.759 550 1HE LYS 72 2HE LYS 72 25.993 7.505 3.132 551 2HE LYS 72 1HE LYS 72 24.315 7.606 2.601 552 1HZ LYS 72 1HZ LYS 72 25.956 9.655 2.473 553 2HZ LYS 72 2HZ LYS 72 25.391 9.892 4.058 554 3HZ LYS 72 3HZ LYS 72 24.296 9.848 2.761 555 H ALA 73 H ALA 73 21.300 10.842 2.546 556 HA ALA 73 HA ALA 73 18.478 10.294 1.878 557 1HB ALA 73 1HB ALA 73 18.341 12.375 0.982 558 2HB ALA 73 2HB ALA 73 19.964 12.295 0.295 559 3HB ALA 73 3HB ALA 73 19.745 12.699 1.998 560 H LEU 74 H LEU 74 17.926 9.360 -0.050 561 HA LEU 74 HA LEU 74 20.163 8.451 -1.762 562 1HB LEU 74 2HB LEU 74 17.560 6.965 -1.423 563 2HB LEU 74 1HB LEU 74 19.083 6.373 -2.089 564 HG LEU 74 HG LEU 74 18.765 7.279 0.782 565 1HD1 LEU 74 1HD1 LEU 74 18.938 4.411 -0.139 566 2HD1 LEU 74 2HD1 LEU 74 17.380 5.220 0.028 567 3HD1 LEU 74 3HD1 LEU 74 18.431 5.033 1.431 568 1HD2 LEU 74 1HD2 LEU 74 21.054 7.359 0.088 569 2HD2 LEU 74 2HD2 LEU 74 20.911 5.836 -0.792 570 3HD2 LEU 74 3HD2 LEU 74 20.874 5.843 0.971 571 H GLY 75 H GLY 75 19.262 7.740 -3.993 572 1HA GLY 75 2HA GLY 75 18.557 8.645 -6.015 573 2HA GLY 75 1HA GLY 75 16.988 8.524 -5.223 574 H LYS 76 H LYS 76 15.987 10.361 -5.870 575 HA LYS 76 HA LYS 76 17.395 12.909 -5.867 576 1HB LYS 76 2HB LYS 76 15.096 13.758 -6.588 577 2HB LYS 76 1HB LYS 76 15.894 12.632 -7.687 578 1HG LYS 76 2HG LYS 76 14.433 10.910 -7.210 579 2HG LYS 76 1HG LYS 76 14.126 11.485 -5.571 580 1HD LYS 76 2HD LYS 76 12.131 11.835 -6.935 581 2HD LYS 76 1HD LYS 76 12.838 13.398 -6.520 582 1HE LYS 76 2HE LYS 76 13.519 11.973 -9.095 583 2HE LYS 76 1HE LYS 76 12.143 13.068 -8.972 584 1HZ LYS 76 1HZ LYS 76 14.992 13.652 -8.921 585 2HZ LYS 76 2HZ LYS 76 14.022 14.560 -7.862 586 3HZ LYS 76 3HZ LYS 76 13.704 14.574 -9.530 587 H THR 77 H THR 77 15.934 11.050 -3.558 588 HA THR 77 HA THR 77 14.217 12.601 -2.095 589 HB THR 77 HB THR 77 16.477 11.020 -0.856 590 HG1 THR 77 1HG THR 77 13.951 10.134 -1.793 591 1HG2 THR 77 1HG2 THR 77 15.143 12.310 0.727 592 2HG2 THR 77 2HG2 THR 77 14.748 10.599 0.886 593 3HG2 THR 77 3HG2 THR 77 13.653 11.680 0.024 594 H LYS 78 H LYS 78 14.343 14.643 -1.442 595 HA LYS 78 HA LYS 78 16.922 15.950 -1.136 596 1HB LYS 78 2HB LYS 78 14.963 17.065 -2.234 597 2HB LYS 78 1HB LYS 78 14.157 17.082 -0.665 598 1HG LYS 78 2HG LYS 78 16.055 18.370 0.280 599 2HG LYS 78 1HG LYS 78 16.815 18.391 -1.313 600 1HD LYS 78 2HD LYS 78 14.766 19.523 -2.213 601 2HD LYS 78 1HD LYS 78 14.149 19.623 -0.563 602 1HE LYS 78 2HE LYS 78 15.282 21.721 -1.225 603 2HE LYS 78 1HE LYS 78 16.120 20.931 0.111 604 1HZ LYS 78 1HZ LYS 78 17.535 21.746 -1.800 605 2HZ LYS 78 2HZ LYS 78 16.878 20.472 -2.712 606 3HZ LYS 78 3HZ LYS 78 17.782 20.141 -1.312 607 H LEU 79 H LEU 79 17.980 16.124 0.726 608 HA LEU 79 HA LEU 79 16.464 15.757 3.242 609 1HB LEU 79 2HB LEU 79 17.940 13.861 2.847 610 2HB LEU 79 1HB LEU 79 19.308 14.946 2.594 611 HG LEU 79 HG LEU 79 19.109 15.766 4.901 612 1HD1 LEU 79 1HD1 LEU 79 16.864 15.655 5.503 613 2HD1 LEU 79 2HD1 LEU 79 17.505 14.250 6.356 614 3HD1 LEU 79 3HD1 LEU 79 16.655 14.040 4.825 615 1HD2 LEU 79 1HD2 LEU 79 20.574 13.892 4.671 616 2HD2 LEU 79 2HD2 LEU 79 19.225 12.766 4.516 617 3HD2 LEU 79 3HD2 LEU 79 19.562 13.530 6.070 618 H GLU 80 H GLU 80 16.603 17.338 4.715 619 HA GLU 80 HA GLU 80 18.881 19.156 4.742 620 1HB GLU 80 2HB GLU 80 17.399 21.162 4.645 621 2HB GLU 80 1HB GLU 80 17.442 20.259 3.131 622 1HG GLU 80 2HG GLU 80 15.348 19.089 3.810 623 2HG GLU 80 1HG GLU 80 15.286 20.095 5.256 624 H GLN 81 H GLN 81 19.001 20.419 6.670 625 HA GLN 81 HA GLN 81 17.430 19.257 8.879 626 1HB GLN 81 2HB GLN 81 19.931 19.054 8.945 627 2HB GLN 81 1HB GLN 81 20.019 20.812 9.044 628 1HG GLN 81 2HG GLN 81 18.687 20.784 11.105 629 2HG GLN 81 1HG GLN 81 18.540 19.030 11.000 630 1HE2 GLN 81 1HE2 GLN 81 19.699 19.962 13.314 631 2HE2 GLN 81 2HE2 GLN 81 21.377 19.702 13.295 632 H GLN 82 H GLN 82 16.545 20.608 10.486 633 HA GLN 82 HA GLN 82 15.947 23.328 9.529 634 1HB GLN 82 2HB GLN 82 14.551 21.984 11.823 635 2HB GLN 82 1HB GLN 82 13.942 23.221 10.722 636 1HG GLN 82 2HG GLN 82 14.509 20.321 10.049 637 2HG GLN 82 1HG GLN 82 12.926 21.092 10.137 638 1HE2 GLN 82 1HE2 GLN 82 14.867 19.930 7.849 639 2HE2 GLN 82 2HE2 GLN 82 14.662 21.085 6.621 640 H GLU 83 H GLU 83 15.604 24.959 11.342 641 HA GLU 83 HA GLU 83 18.047 25.278 12.760 642 1HB GLU 83 2HB GLU 83 17.038 27.284 13.676 643 2HB GLU 83 1HB GLU 83 16.611 27.161 11.968 644 1HG GLU 83 2HG GLU 83 14.458 26.045 12.680 645 2HG GLU 83 1HG GLU 83 14.875 26.448 14.344 646 H ASN 84 H ASN 84 14.855 24.095 13.649 647 HA ASN 84 HA ASN 84 15.249 24.078 16.462 648 1HB ASN 84 2HB ASN 84 13.376 22.350 16.389 649 2HB ASN 84 1HB ASN 84 13.010 23.923 15.682 650 1HD2 ASN 84 1HD2 ASN 84 14.484 20.807 14.577 651 2HD2 ASN 84 2HD2 ASN 84 13.658 20.785 13.094 652 H GLY 85 H GLY 85 16.269 21.977 13.899 653 1HA GLY 85 2HA GLY 85 18.109 20.475 14.203 654 2HA GLY 85 1HA GLY 85 17.623 20.271 15.883 655 H GLU 86 H GLU 86 16.220 19.823 12.627 656 HA GLU 86 HA GLU 86 15.506 17.074 13.360 657 1HB GLU 86 2HB GLU 86 13.543 19.179 12.433 658 2HB GLU 86 1HB GLU 86 13.209 17.448 12.366 659 1HG GLU 86 2HG GLU 86 13.618 17.286 14.804 660 2HG GLU 86 1HG GLU 86 13.898 19.026 14.861 661 H TRP 87 H TRP 87 15.322 15.678 11.603 662 HA TRP 87 HA TRP 87 16.387 16.754 9.074 663 1HB TRP 87 2HB TRP 87 16.367 13.980 10.267 664 2HB TRP 87 1HB TRP 87 16.813 14.291 8.590 665 HD1 TRP 87 HD TRP 87 18.158 14.360 12.059 666 HE1 TRP 87 1HE TRP 87 20.550 15.324 12.068 667 HE3 TRP 87 3HE TRP 87 18.389 16.195 7.298 668 HZ2 TRP 87 2HZ TRP 87 22.327 16.690 10.290 669 HZ3 TRP 87 3HZ TRP 87 20.442 17.316 6.481 670 HH2 TRP 87 HH TRP 87 22.410 17.565 7.969 671 H VAL 88 H VAL 88 15.281 16.582 7.186 672 HA VAL 88 HA VAL 88 12.692 15.160 7.238 673 HB VAL 88 HB VAL 88 13.234 17.927 6.137 674 1HG1 VAL 88 1HG1 VAL 88 10.723 17.807 5.665 675 2HG1 VAL 88 2HG1 VAL 88 10.861 16.065 5.903 676 3HG1 VAL 88 3HG1 VAL 88 11.754 16.851 4.601 677 1HG2 VAL 88 1HG2 VAL 88 11.272 17.004 8.256 678 2HG2 VAL 88 2HG2 VAL 88 11.665 18.666 7.817 679 3HG2 VAL 88 3HG2 VAL 88 12.865 17.662 8.630 680 H ALA 89 H ALA 89 12.307 13.904 5.510 681 HA ALA 89 HA ALA 89 13.926 14.314 3.077 682 1HB ALA 89 1HB ALA 89 14.157 11.841 2.890 683 2HB ALA 89 2HB ALA 89 13.440 11.685 4.494 684 3HB ALA 89 3HB ALA 89 14.989 12.503 4.298 685 H SER 90 H SER 90 12.437 14.900 1.615 686 HA SER 90 HA SER 90 9.918 13.352 1.502 687 1HB SER 90 2HB SER 90 8.822 15.287 0.640 688 2HB SER 90 1HB SER 90 9.757 15.830 2.030 689 HG SER 90 HG SER 90 11.271 16.676 0.674 690 H VAL 91 H VAL 91 9.233 12.550 -0.457 691 HA VAL 91 HA VAL 91 10.568 13.202 -2.927 692 HB VAL 91 HB VAL 91 12.148 11.593 -1.772 693 1HG1 VAL 91 1HG1 VAL 91 10.023 9.544 -2.426 694 2HG1 VAL 91 2HG1 VAL 91 10.191 10.242 -0.816 695 3HG1 VAL 91 3HG1 VAL 91 11.514 9.310 -1.515 696 1HG2 VAL 91 1HG2 VAL 91 10.825 10.914 -4.409 697 2HG2 VAL 91 2HG2 VAL 91 12.270 10.083 -3.833 698 3HG2 VAL 91 3HG2 VAL 91 12.318 11.818 -4.148 699 H VAL 92 H VAL 92 9.319 12.690 -4.669 700 HA VAL 92 HA VAL 92 6.713 11.469 -4.080 701 HB VAL 92 HB VAL 92 7.621 12.977 -6.543 702 1HG1 VAL 92 1HG1 VAL 92 4.888 12.123 -5.539 703 2HG1 VAL 92 2HG1 VAL 92 5.723 11.484 -6.954 704 3HG1 VAL 92 3HG1 VAL 92 5.170 13.158 -6.939 705 1HG2 VAL 92 1HG2 VAL 92 6.103 14.766 -5.492 706 2HG2 VAL 92 2HG2 VAL 92 7.679 14.531 -4.736 707 3HG2 VAL 92 3HG2 VAL 92 6.235 13.840 -3.996 708 H VAL 93 H VAL 93 6.043 9.592 -4.972 709 HA VAL 93 HA VAL 93 7.947 8.203 -6.759 710 HB VAL 93 HB VAL 93 5.906 6.939 -4.919 711 1HG1 VAL 93 1HG1 VAL 93 8.286 5.849 -6.454 712 2HG1 VAL 93 2HG1 VAL 93 6.587 5.551 -6.823 713 3HG1 VAL 93 3HG1 VAL 93 7.292 4.918 -5.334 714 1HG2 VAL 93 1HG2 VAL 93 7.987 6.358 -3.569 715 2HG2 VAL 93 2HG2 VAL 93 7.500 8.052 -3.506 716 3HG2 VAL 93 3HG2 VAL 93 8.847 7.558 -4.532 717 H TYR 94 H TYR 94 7.240 7.467 -8.687 718 HA TYR 94 HA TYR 94 4.454 8.057 -9.412 719 1HB TYR 94 2HB TYR 94 6.900 7.451 -11.087 720 2HB TYR 94 1HB TYR 94 5.284 7.696 -11.751 721 HD1 TYR 94 1HD TYR 94 4.049 9.883 -10.788 722 HD2 TYR 94 2HD TYR 94 8.302 9.304 -10.970 723 HE1 TYR 94 1HE TYR 94 4.387 12.338 -10.699 724 HE2 TYR 94 2HE TYR 94 8.638 11.760 -10.885 725 HH TYR 94 HH TYR 94 7.146 13.786 -9.904 726 HA PRO 95 HA PRO 95 3.085 3.905 -9.439 727 1HB PRO 95 2HB PRO 95 1.968 4.375 -12.153 728 2HB PRO 95 1HB PRO 95 1.144 3.887 -10.661 729 1HG PRO 95 2HG PRO 95 0.884 6.342 -11.646 730 2HG PRO 95 1HG PRO 95 0.948 6.044 -9.902 731 1HD PRO 95 2HD PRO 95 3.075 7.146 -11.705 732 2HD PRO 95 1HD PRO 95 2.685 7.577 -10.025 733 H CYS 96 H CYS 96 3.533 1.843 -10.307 734 HA CYS 96 HA CYS 96 4.890 0.279 -11.308 735 1HB CYS 96 2HB CYS 96 3.367 1.045 -13.203 736 2HB CYS 96 1HB CYS 96 4.711 2.051 -13.746 737 HG CYS 96 HG CYS 96 5.537 -0.000 -14.862 738 H GLU 97 H GLU 97 6.288 2.194 -9.829 739 HA GLU 97 HA GLU 97 8.890 2.003 -11.098 740 1HB GLU 97 2HB GLU 97 7.795 4.192 -11.885 741 2HB GLU 97 1HB GLU 97 7.987 4.741 -10.220 742 1HG GLU 97 2HG GLU 97 10.413 4.258 -10.353 743 2HG GLU 97 1HG GLU 97 10.211 3.753 -12.029 744 H THR 98 H THR 98 10.634 2.464 -9.621 745 HA THR 98 HA THR 98 9.839 2.667 -6.787 746 HB THR 98 HB THR 98 12.065 0.816 -7.507 747 HG1 THR 98 1HG THR 98 9.350 0.448 -8.041 748 1HG2 THR 98 1HG2 THR 98 11.057 -0.386 -5.525 749 2HG2 THR 98 2HG2 THR 98 9.925 0.957 -5.373 750 3HG2 THR 98 3HG2 THR 98 11.655 1.235 -5.174 751 H GLU 99 H GLU 99 11.312 3.702 -5.458 752 HA GLU 99 HA GLU 99 13.816 4.660 -6.664 753 1HB GLU 99 2HB GLU 99 12.974 6.879 -5.289 754 2HB GLU 99 1HB GLU 99 12.840 6.665 -7.035 755 1HG GLU 99 2HG GLU 99 10.678 7.326 -5.974 756 2HG GLU 99 1HG GLU 99 10.589 5.770 -6.798 757 H MET 100 H MET 100 15.293 5.596 -5.050 758 HA MET 100 HA MET 100 15.162 4.099 -2.552 759 1HB MET 100 2HB MET 100 17.326 5.959 -3.559 760 2HB MET 100 1HB MET 100 17.459 4.799 -2.236 761 1HG MET 100 2HG MET 100 16.938 4.119 -5.146 762 2HG MET 100 1HG MET 100 18.456 3.872 -4.281 763 1HE MET 100 1HE MET 100 17.990 1.218 -1.826 764 2HE MET 100 2HE MET 100 17.207 2.691 -1.259 765 3HE MET 100 3HE MET 100 18.683 2.799 -2.214 766 H PHE 101 H PHE 101 15.043 4.988 -0.518 767 HA PHE 101 HA PHE 101 14.118 7.787 -0.431 768 1HB PHE 101 2HB PHE 101 12.551 6.063 0.412 769 2HB PHE 101 1HB PHE 101 13.754 5.579 1.608 770 HD1 PHE 101 1HD PHE 101 12.826 6.237 3.680 771 HD2 PHE 101 2HD PHE 101 12.852 8.993 0.386 772 HE1 PHE 101 1HE PHE 101 12.020 8.039 5.182 773 HE2 PHE 101 2HE PHE 101 12.054 10.798 1.889 774 HZ PHE 101 HZ PHE 101 11.632 10.319 4.285 775 H ILE 102 H ILE 102 15.012 6.283 2.511 776 HA ILE 102 HA ILE 102 17.528 7.838 2.584 777 HB ILE 102 HB ILE 102 17.086 8.397 4.895 778 1HG1 ILE 102 2HG1 ILE 102 14.650 7.758 5.685 779 2HG1 ILE 102 1HG1 ILE 102 14.823 6.459 4.503 780 1HG2 ILE 102 1HG2 ILE 102 14.904 9.674 4.586 781 2HG2 ILE 102 2HG2 ILE 102 14.767 8.891 3.012 782 3HG2 ILE 102 3HG2 ILE 102 16.128 9.961 3.349 783 1HD1 ILE 102 1HD1 ILE 102 15.818 6.486 7.135 784 2HD1 ILE 102 2HD1 ILE 102 17.229 6.704 6.098 785 3HD1 ILE 102 3HD1 ILE 102 16.180 5.303 5.878 786 H GLU 103 H GLU 103 19.188 6.999 3.961 787 HA GLU 103 HA GLU 103 18.852 4.166 4.721 788 1HB GLU 103 2HB GLU 103 20.044 4.193 2.599 789 2HB GLU 103 1HB GLU 103 21.194 5.371 3.231 790 1HG GLU 103 2HG GLU 103 22.006 3.785 4.875 791 2HG GLU 103 1HG GLU 103 20.760 2.621 4.426 792 H GLY 104 H GLY 104 20.317 3.433 6.372 793 1HA GLY 104 2HA GLY 104 22.192 4.059 7.880 794 2HA GLY 104 1HA GLY 104 21.425 5.639 8.011 795 H ARG 105 H ARG 105 21.444 5.241 10.335 796 HA ARG 105 HA ARG 105 19.591 3.191 11.308 797 1HB ARG 105 2HB ARG 105 21.808 3.552 12.418 798 2HB ARG 105 1HB ARG 105 21.255 5.157 12.896 799 1HG ARG 105 2HG ARG 105 19.327 4.116 14.073 800 2HG ARG 105 1HG ARG 105 19.955 2.523 13.651 801 1HD ARG 105 2HD ARG 105 21.422 4.608 15.292 802 2HD ARG 105 1HD ARG 105 20.626 3.176 15.939 803 HE ARG 105 HE ARG 105 23.204 3.265 14.696 804 1HH1 ARG 105 1HH2 ARG 105 20.343 1.368 15.125 805 2HH1 ARG 105 2HH2 ARG 105 21.149 -0.149 14.907 806 1HH2 ARG 105 1HH1 ARG 105 24.269 1.280 14.409 807 2HH2 ARG 105 2HH1 ARG 105 23.372 -0.199 14.501 808 H VAL 106 H VAL 106 17.650 3.629 12.268 809 HA VAL 106 HA VAL 106 16.800 6.464 12.303 810 HB VAL 106 HB VAL 106 14.946 4.137 11.816 811 1HG1 VAL 106 1HG1 VAL 106 14.698 7.024 10.958 812 2HG1 VAL 106 2HG1 VAL 106 14.163 6.479 12.548 813 3HG1 VAL 106 3HG1 VAL 106 13.424 5.811 11.092 814 1HG2 VAL 106 1HG2 VAL 106 16.499 3.996 10.002 815 2HG2 VAL 106 2HG2 VAL 106 16.590 5.752 9.852 816 3HG2 VAL 106 3HG2 VAL 106 15.120 4.900 9.378 817 H ASN 107 H ASN 107 15.853 7.204 14.118 818 HA ASN 107 HA ASN 107 14.835 5.337 16.123 819 1HB ASN 107 2HB ASN 107 16.233 6.863 17.811 820 2HB ASN 107 1HB ASN 107 16.902 5.388 17.116 821 1HD2 ASN 107 1HD2 ASN 107 17.831 8.449 17.762 822 2HD2 ASN 107 2HD2 ASN 107 18.875 8.736 16.455 823 H GLY 108 H GLY 108 12.883 6.111 16.595 824 1HA GLY 108 2HA GLY 108 11.165 7.571 17.059 825 2HA GLY 108 1HA GLY 108 12.405 8.632 17.724 826 H PHE 109 H PHE 109 10.301 8.022 15.065 827 HA PHE 109 HA PHE 109 10.980 10.619 13.919 828 1HB PHE 109 2HB PHE 109 11.176 9.660 11.629 829 2HB PHE 109 1HB PHE 109 12.480 9.145 12.700 830 HD1 PHE 109 1HD PHE 109 9.722 8.075 10.630 831 HD2 PHE 109 2HD PHE 109 12.283 6.886 13.867 832 HE1 PHE 109 1HE PHE 109 9.090 5.706 10.260 833 HE2 PHE 109 2HE PHE 109 11.655 4.516 13.493 834 HZ PHE 109 HZ PHE 109 10.057 3.926 11.691 835 H LYS 110 H LYS 110 9.357 11.437 12.507 836 HA LYS 110 HA LYS 110 6.738 10.125 12.870 837 1HB LYS 110 2HB LYS 110 7.403 13.001 12.194 838 2HB LYS 110 1HB LYS 110 5.779 12.349 12.417 839 1HG LYS 110 2HG LYS 110 6.528 11.604 14.735 840 2HG LYS 110 1HG LYS 110 7.977 12.580 14.485 841 1HD LYS 110 2HD LYS 110 5.118 13.590 14.394 842 2HD LYS 110 1HD LYS 110 6.278 13.882 15.690 843 1HE LYS 110 2HE LYS 110 6.305 14.940 12.869 844 2HE LYS 110 1HE LYS 110 6.437 15.834 14.384 845 1HZ LYS 110 1HZ LYS 110 8.567 14.422 14.676 846 2HZ LYS 110 2HZ LYS 110 8.601 15.784 13.659 847 3HZ LYS 110 3HZ LYS 110 8.471 14.225 12.995 848 H SER 111 H SER 111 5.621 9.404 11.153 849 HA SER 111 HA SER 111 6.708 10.005 8.467 850 1HB SER 111 2HB SER 111 5.234 7.500 9.289 851 2HB SER 111 1HB SER 111 6.078 7.796 7.773 852 HG SER 111 HG SER 111 7.490 6.680 9.029 853 H LYS 112 H LYS 112 5.366 10.830 6.987 854 HA LYS 112 HA LYS 112 2.457 10.619 7.407 855 1HB LYS 112 2HB LYS 112 3.235 12.830 8.255 856 2HB LYS 112 1HB LYS 112 3.881 13.183 6.652 857 1HG LYS 112 2HG LYS 112 1.715 13.157 5.660 858 2HG LYS 112 1HG LYS 112 0.992 12.408 7.084 859 1HD LYS 112 2HD LYS 112 0.469 14.819 6.994 860 2HD LYS 112 1HD LYS 112 1.465 14.438 8.400 861 1HE LYS 112 2HE LYS 112 3.408 15.354 7.426 862 2HE LYS 112 1HE LYS 112 2.723 15.302 5.801 863 1HZ LYS 112 1HZ LYS 112 1.314 16.900 7.793 864 2HZ LYS 112 2HZ LYS 112 1.538 17.182 6.133 865 3HZ LYS 112 3HZ LYS 112 2.794 17.508 7.230 866 H MET 113 H MET 113 1.589 9.734 5.646 867 HA MET 113 HA MET 113 2.831 10.318 3.024 868 1HB MET 113 2HB MET 113 1.664 7.713 4.023 869 2HB MET 113 1HB MET 113 2.119 8.018 2.346 870 1HG MET 113 2HG MET 113 4.435 8.548 3.111 871 2HG MET 113 1HG MET 113 3.960 8.114 4.754 872 1HE MET 113 1HE MET 113 2.270 5.572 4.774 873 2HE MET 113 2HE MET 113 3.691 6.059 5.694 874 3HE MET 113 3HE MET 113 3.641 4.467 4.942 875 H ASP 114 H ASP 114 1.350 10.025 1.181 876 HA ASP 114 HA ASP 114 -1.500 10.102 1.688 877 1HB ASP 114 2HB ASP 114 -0.585 12.469 2.099 878 2HB ASP 114 1HB ASP 114 -0.289 12.522 0.362 879 H ALA 115 H ALA 115 -2.688 10.505 -0.455 880 HA ALA 115 HA ALA 115 -1.098 9.430 -2.706 881 1HB ALA 115 1HB ALA 115 -2.476 7.631 -1.814 882 2HB ALA 115 2HB ALA 115 -3.108 8.136 -3.381 883 3HB ALA 115 3HB ALA 115 -3.911 8.654 -1.898 884 H LEU 116 H LEU 116 -0.875 11.513 -3.588 885 HA LEU 116 HA LEU 116 -3.255 13.073 -4.191 886 1HB LEU 116 2HB LEU 116 -0.451 13.626 -5.156 887 2HB LEU 116 1HB LEU 116 -1.770 14.771 -4.916 888 HG LEU 116 HG LEU 116 -0.422 13.192 -2.705 889 1HD1 LEU 116 1HD1 LEU 116 0.746 15.175 -2.130 890 2HD1 LEU 116 2HD1 LEU 116 -0.264 16.172 -3.176 891 3HD1 LEU 116 3HD1 LEU 116 0.912 15.062 -3.881 892 1HD2 LEU 116 1HD2 LEU 116 -2.643 13.661 -2.015 893 2HD2 LEU 116 2HD2 LEU 116 -2.637 15.245 -2.790 894 3HD2 LEU 116 3HD2 LEU 116 -1.690 14.976 -1.327 895 HA PRO 117 HA PRO 117 -3.791 11.661 -8.319 896 1HB PRO 117 2HB PRO 117 -4.281 14.357 -9.327 897 2HB PRO 117 1HB PRO 117 -5.439 13.046 -9.035 898 1HG PRO 117 2HG PRO 117 -5.398 15.277 -7.550 899 2HG PRO 117 1HG PRO 117 -5.842 13.697 -6.884 900 1HD PRO 117 2HD PRO 117 -3.199 15.143 -6.677 901 2HD PRO 117 1HD PRO 117 -4.133 14.338 -5.398 902 H LEU 118 H LEU 118 -2.855 11.533 -10.406 903 HA LEU 118 HA LEU 118 -0.131 12.488 -10.560 904 1HB LEU 118 2HB LEU 118 -1.777 10.959 -12.591 905 2HB LEU 118 1HB LEU 118 -0.031 11.198 -12.639 906 HG LEU 118 HG LEU 118 -1.297 9.982 -10.201 907 1HD1 LEU 118 1HD1 LEU 118 -2.159 8.695 -12.129 908 2HD1 LEU 118 2HD1 LEU 118 -0.994 7.750 -11.202 909 3HD1 LEU 118 3HD1 LEU 118 -0.512 8.494 -12.727 910 1HD2 LEU 118 1HD2 LEU 118 1.170 10.734 -10.464 911 2HD2 LEU 118 2HD2 LEU 118 1.339 9.335 -11.524 912 3HD2 LEU 118 3HD2 LEU 118 0.875 9.112 -9.838 913 H SER 119 H SER 119 0.256 14.529 -11.139 914 HA SER 119 HA SER 119 -1.594 16.027 -12.782 915 1HB SER 119 2HB SER 119 -0.069 16.868 -10.825 916 2HB SER 119 1HB SER 119 1.162 16.979 -12.079 917 HG SER 119 HG SER 119 -1.215 17.976 -12.913 918 H GLU 120 H GLU 120 0.106 17.602 -14.293 919 HA GLU 120 HA GLU 120 0.456 16.001 -16.612 920 1HB GLU 120 2HB GLU 120 1.318 18.000 -17.649 921 2HB GLU 120 1HB GLU 120 -0.027 18.464 -16.607 922 1HG GLU 120 2HG GLU 120 1.678 18.947 -14.794 923 2HG GLU 120 1HG GLU 120 2.930 18.726 -16.016 924 H GLU 121 H GLU 121 2.585 17.007 -14.027 925 HA GLU 121 HA GLU 121 5.083 16.604 -15.192 926 1HB GLU 121 2HB GLU 121 5.934 16.330 -12.956 927 2HB GLU 121 1HB GLU 121 4.645 17.534 -12.899 928 1HG GLU 121 2HG GLU 121 3.061 15.645 -12.289 929 2HG GLU 121 1HG GLU 121 4.482 14.622 -12.090 930 H TYR 122 H TYR 122 2.814 14.275 -13.809 931 HA TYR 122 HA TYR 122 4.531 12.020 -13.904 932 1HB TYR 122 2HB TYR 122 2.597 11.807 -12.558 933 2HB TYR 122 1HB TYR 122 1.532 12.334 -13.862 934 HD1 TYR 122 1HD TYR 122 4.078 9.670 -13.138 935 HD2 TYR 122 2HD TYR 122 0.398 10.711 -15.094 936 HE1 TYR 122 1HE TYR 122 3.812 7.321 -13.886 937 HE2 TYR 122 2HE TYR 122 0.125 8.360 -15.832 938 HH TYR 122 HH TYR 122 1.453 5.875 -14.581 939 H ARG 123 H ARG 123 2.167 13.339 -16.200 940 HA ARG 123 HA ARG 123 2.256 11.320 -18.126 941 1HB ARG 123 2HB ARG 123 1.937 14.302 -18.555 942 2HB ARG 123 1HB ARG 123 1.505 13.044 -19.714 943 1HG ARG 123 2HG ARG 123 -0.029 12.074 -17.954 944 2HG ARG 123 1HG ARG 123 0.282 13.516 -16.985 945 1HD ARG 123 2HD ARG 123 -0.485 14.900 -18.947 946 2HD ARG 123 1HD ARG 123 -0.972 13.405 -19.739 947 HE ARG 123 HE ARG 123 -2.324 14.712 -17.536 948 1HH1 ARG 123 1HH2 ARG 123 -1.742 11.771 -19.264 949 2HH1 ARG 123 2HH2 ARG 123 -3.227 11.027 -18.773 950 1HH2 ARG 123 1HH1 ARG 123 -4.272 13.742 -16.886 951 2HH2 ARG 123 2HH1 ARG 123 -4.659 12.142 -17.426 952 H GLN 124 H GLN 124 4.366 14.123 -17.649 953 HA GLN 124 HA GLN 124 5.940 13.712 -19.987 954 1HB GLN 124 2HB GLN 124 6.519 15.184 -17.408 955 2HB GLN 124 1HB GLN 124 7.568 15.221 -18.825 956 1HG GLN 124 2HG GLN 124 4.642 15.999 -18.885 957 2HG GLN 124 1HG GLN 124 5.957 17.156 -18.686 958 1HE2 GLN 124 1HE2 GLN 124 3.943 16.112 -21.024 959 2HE2 GLN 124 2HE2 GLN 124 4.965 16.197 -22.376 960 H HIS 125 H HIS 125 6.200 12.634 -16.633 961 HA HIS 125 HA HIS 125 8.780 11.560 -16.693 962 1HB HIS 125 2HB HIS 125 7.704 11.696 -14.585 963 2HB HIS 125 1HB HIS 125 6.305 10.786 -15.153 964 HD1 HIS 125 1HD HIS 125 9.884 10.355 -14.079 965 HD2 HIS 125 2HD HIS 125 6.653 7.970 -15.202 966 HE1 HIS 125 1HE HIS 125 10.522 7.970 -13.512 967 HE2 HIS 125 2HE HIS 125 8.564 6.504 -14.193 968 H GLN 126 H GLN 126 5.740 10.307 -17.913 969 HA GLN 126 HA GLN 126 6.470 7.621 -18.299 970 1HB GLN 126 2HB GLN 126 4.584 9.362 -19.906 971 2HB GLN 126 1HB GLN 126 4.676 7.603 -20.015 972 1HG GLN 126 2HG GLN 126 4.051 7.378 -17.674 973 2HG GLN 126 1HG GLN 126 4.093 9.127 -17.460 974 1HE2 GLN 126 1HE2 GLN 126 1.712 7.595 -16.951 975 2HE2 GLN 126 2HE2 GLN 126 0.547 8.037 -18.105 976 H ALA 127 H ALA 127 7.493 10.485 -19.890 977 HA ALA 127 HA ALA 127 8.311 9.125 -22.333 978 1HB ALA 127 1HB ALA 127 7.448 11.491 -22.310 979 2HB ALA 127 2HB ALA 127 9.014 11.295 -23.096 980 3HB ALA 127 3HB ALA 127 8.923 11.956 -21.464 981 H GLU 128 H GLU 128 10.015 11.112 -19.899 982 HA GLU 128 HA GLU 128 12.608 10.520 -20.652 983 1HB GLU 128 2HB GLU 128 13.291 11.275 -18.498 984 2HB GLU 128 1HB GLU 128 11.828 12.181 -18.887 985 1HG GLU 128 2HG GLU 128 10.535 10.374 -17.632 986 2HG GLU 128 1HG GLU 128 12.094 9.794 -17.049 987 H LYS 129 H LYS 129 10.423 8.666 -18.587 988 HA LYS 129 HA LYS 129 12.426 6.692 -17.923 989 1HB LYS 129 2HB LYS 129 10.664 5.567 -16.735 990 2HB LYS 129 1HB LYS 129 10.486 7.296 -16.434 991 1HG LYS 129 2HG LYS 129 8.334 6.992 -17.090 992 2HG LYS 129 1HG LYS 129 8.998 6.963 -18.724 993 1HD LYS 129 2HD LYS 129 9.220 4.522 -18.616 994 2HD LYS 129 1HD LYS 129 8.614 4.527 -16.960 995 1HE LYS 129 2HE LYS 129 6.460 5.365 -17.685 996 2HE LYS 129 1HE LYS 129 7.053 5.584 -19.331 997 1HZ LYS 129 1HZ LYS 129 7.607 3.050 -19.058 998 2HZ LYS 129 2HZ LYS 129 6.059 3.566 -19.531 999 3HZ LYS 129 3HZ LYS 129 6.353 3.120 -17.918 1000 H ASP 130 H ASP 130 10.579 7.330 -20.640 1001 HA ASP 130 HA ASP 130 10.801 4.518 -21.536 1002 1HB ASP 130 2HB ASP 130 8.442 5.275 -21.237 1003 2HB ASP 130 1HB ASP 130 8.734 6.539 -22.431 1004 H LYS 131 H LYS 131 12.407 4.353 -22.957 1005 HA LYS 131 HA LYS 131 12.470 5.883 -25.356 1006 1HB LYS 131 2HB LYS 131 13.404 7.558 -23.741 1007 2HB LYS 131 1HB LYS 131 14.732 6.441 -23.426 1008 1HG LYS 131 2HG LYS 131 15.304 6.465 -25.840 1009 2HG LYS 131 1HG LYS 131 14.009 7.629 -26.121 1010 1HD LYS 131 2HD LYS 131 15.117 9.175 -24.489 1011 2HD LYS 131 1HD LYS 131 16.459 8.035 -24.382 1012 1HE LYS 131 2HE LYS 131 16.983 9.798 -26.005 1013 2HE LYS 131 1HE LYS 131 16.814 8.248 -26.829 1014 1HZ LYS 131 1HZ LYS 131 15.278 9.188 -28.093 1015 2HZ LYS 131 2HZ LYS 131 15.321 10.623 -27.184 1016 3HZ LYS 131 3HZ LYS 131 14.285 9.356 -26.728 Start of MODEL 6 1 H MET 1 1H MET 1 -8.060 -2.497 12.773 2 HA MET 1 HA MET 1 -7.301 -3.836 14.385 3 1HB MET 1 2HB MET 1 -8.632 -1.688 16.064 4 2HB MET 1 1HB MET 1 -7.299 -2.722 16.579 5 1HG MET 1 2HG MET 1 -6.213 -0.750 15.886 6 2HG MET 1 1HG MET 1 -6.068 -1.807 14.481 7 1HE MET 1 1HE MET 1 -5.377 0.268 13.406 8 2HE MET 1 2HE MET 1 -6.490 1.219 12.426 9 3HE MET 1 3HE MET 1 -6.342 -0.514 12.147 10 H GLY 2 H GLY 2 -8.139 -5.816 14.671 11 1HA GLY 2 2HA GLY 2 -10.848 -6.351 15.333 12 2HA GLY 2 1HA GLY 2 -9.530 -7.520 15.356 13 H CYS 3 H CYS 3 -11.788 -7.003 17.259 14 HA CYS 3 HA CYS 3 -10.907 -5.816 19.636 15 1HB CYS 3 2HB CYS 3 -12.805 -8.139 19.234 16 2HB CYS 3 1HB CYS 3 -12.615 -7.245 20.742 17 HG CYS 3 HG CYS 3 -14.482 -5.943 19.623 18 H GLY 4 H GLY 4 -10.385 -9.047 18.337 19 1HA GLY 4 2HA GLY 4 -9.149 -10.062 20.738 20 2HA GLY 4 1HA GLY 4 -9.199 -10.859 19.169 21 H ALA 5 H ALA 5 -6.902 -10.883 20.737 22 HA ALA 5 HA ALA 5 -5.048 -8.834 20.155 23 1HB ALA 5 1HB ALA 5 -3.332 -10.528 20.767 24 2HB ALA 5 2HB ALA 5 -4.595 -11.759 20.789 25 3HB ALA 5 3HB ALA 5 -4.641 -10.429 21.946 26 H SER 6 H SER 6 -3.480 -8.641 18.569 27 HA SER 6 HA SER 6 -4.018 -10.166 16.110 28 1HB SER 6 2HB SER 6 -2.934 -8.363 14.933 29 2HB SER 6 1HB SER 6 -4.087 -7.657 16.061 30 HG SER 6 HG SER 6 -1.563 -8.112 17.079 31 H SER 7 H SER 7 -2.276 -11.014 14.864 32 HA SER 7 HA SER 7 -0.175 -12.152 16.491 33 1HB SER 7 2HB SER 7 0.314 -13.516 14.616 34 2HB SER 7 1HB SER 7 -1.438 -13.335 14.606 35 HG SER 7 HG SER 7 0.472 -11.901 13.067 36 H GLU 8 H GLU 8 -0.529 -9.226 15.021 37 HA GLU 8 HA GLU 8 0.914 -7.566 14.358 38 1HB GLU 8 2HB GLU 8 2.850 -9.223 15.995 39 2HB GLU 8 1HB GLU 8 3.134 -7.568 15.452 40 1HG GLU 8 2HG GLU 8 1.097 -6.842 16.678 41 2HG GLU 8 1HG GLU 8 0.890 -8.488 17.270 42 H ASN 9 H ASN 9 0.903 -10.448 13.033 43 HA ASN 9 HA ASN 9 3.205 -9.887 11.260 44 1HB ASN 9 2HB ASN 9 2.072 -12.567 12.092 45 2HB ASN 9 1HB ASN 9 3.311 -12.341 10.859 46 1HD2 ASN 9 1HD2 ASN 9 3.776 -13.831 13.302 47 2HD2 ASN 9 2HD2 ASN 9 4.939 -12.985 14.203 48 H SER 10 H SER 10 2.669 -9.465 9.221 49 HA SER 10 HA SER 10 0.251 -10.681 8.077 50 1HB SER 10 2HB SER 10 -0.383 -8.430 8.904 51 2HB SER 10 1HB SER 10 0.882 -7.725 7.902 52 HG SER 10 HG SER 10 -1.601 -8.491 7.225 53 H SER 11 H SER 11 0.340 -11.018 5.865 54 HA SER 11 HA SER 11 2.991 -11.085 4.723 55 1HB SER 11 2HB SER 11 1.160 -12.840 4.397 56 2HB SER 11 1HB SER 11 0.403 -11.694 3.295 57 HG SER 11 HG SER 11 3.129 -12.393 3.064 58 H VAL 12 H VAL 12 2.054 -10.658 1.980 59 HA VAL 12 HA VAL 12 1.445 -7.788 1.930 60 HB VAL 12 HB VAL 12 3.769 -8.922 0.371 61 1HG1 VAL 12 1HG1 VAL 12 3.128 -6.062 1.121 62 2HG1 VAL 12 2HG1 VAL 12 2.530 -6.807 -0.361 63 3HG1 VAL 12 3HG1 VAL 12 4.264 -6.633 -0.100 64 1HG2 VAL 12 1HG2 VAL 12 3.696 -7.554 3.073 65 2HG2 VAL 12 2HG2 VAL 12 5.151 -7.636 2.082 66 3HG2 VAL 12 3HG2 VAL 12 4.408 -9.119 2.679 67 H THR 13 H THR 13 0.195 -7.206 0.233 68 HA THR 13 HA THR 13 -0.182 -9.179 -1.936 69 HB THR 13 HB THR 13 -2.426 -7.473 -0.878 70 HG1 THR 13 1HG THR 13 -2.101 -10.159 -0.157 71 1HG2 THR 13 1HG2 THR 13 -2.344 -10.115 -2.361 72 2HG2 THR 13 2HG2 THR 13 -2.634 -8.544 -3.109 73 3HG2 THR 13 3HG2 THR 13 -3.792 -9.197 -1.951 74 H TYR 14 H TYR 14 -0.277 -8.373 -3.974 75 HA TYR 14 HA TYR 14 -0.094 -5.433 -4.259 76 1HB TYR 14 2HB TYR 14 1.176 -7.595 -5.956 77 2HB TYR 14 1HB TYR 14 1.257 -5.865 -6.289 78 HD1 TYR 14 1HD TYR 14 2.019 -4.391 -4.183 79 HD2 TYR 14 2HD TYR 14 2.933 -8.548 -4.761 80 HE1 TYR 14 1HE TYR 14 3.948 -4.182 -2.638 81 HE2 TYR 14 2HE TYR 14 4.861 -8.339 -3.217 82 HH TYR 14 HH TYR 14 5.998 -5.266 -2.103 83 H VAL 15 H VAL 15 -0.713 -4.738 -6.561 84 HA VAL 15 HA VAL 15 -2.917 -6.357 -7.642 85 HB VAL 15 HB VAL 15 -4.287 -4.970 -6.430 86 1HG1 VAL 15 1HG1 VAL 15 -2.528 -3.772 -5.260 87 2HG1 VAL 15 2HG1 VAL 15 -3.674 -2.593 -5.898 88 3HG1 VAL 15 3HG1 VAL 15 -2.132 -2.855 -6.713 89 1HG2 VAL 15 1HG2 VAL 15 -3.636 -3.021 -8.650 90 2HG2 VAL 15 2HG2 VAL 15 -5.197 -3.313 -7.883 91 3HG2 VAL 15 3HG2 VAL 15 -4.499 -4.528 -8.955 92 H ASN 16 H ASN 16 -1.022 -3.363 -8.026 93 HA ASN 16 HA ASN 16 -1.411 -3.431 -10.914 94 1HB ASN 16 2HB ASN 16 0.109 -1.510 -9.137 95 2HB ASN 16 1HB ASN 16 -0.112 -1.317 -10.875 96 1HD2 ASN 16 1HD2 ASN 16 -1.508 -0.614 -7.834 97 2HD2 ASN 16 2HD2 ASN 16 -3.044 -0.149 -8.387 98 H GLY 17 H GLY 17 0.501 -5.112 -8.916 99 1HA GLY 17 2HA GLY 17 2.113 -6.551 -10.217 100 2HA GLY 17 1HA GLY 17 2.835 -5.030 -10.736 101 H ARG 18 H ARG 18 4.518 -6.731 -9.574 102 HA ARG 18 HA ARG 18 4.671 -6.211 -6.707 103 1HB ARG 18 2HB ARG 18 6.013 -8.032 -8.632 104 2HB ARG 18 1HB ARG 18 6.957 -7.522 -7.231 105 1HG ARG 18 2HG ARG 18 5.691 -9.602 -6.768 106 2HG ARG 18 1HG ARG 18 5.167 -8.277 -5.728 107 1HD ARG 18 2HD ARG 18 3.193 -7.919 -7.000 108 2HD ARG 18 1HD ARG 18 3.788 -8.889 -8.344 109 HE ARG 18 HE ARG 18 2.527 -9.873 -5.927 110 1HH1 ARG 18 1HH2 ARG 18 4.627 -10.540 -8.595 111 2HH1 ARG 18 2HH2 ARG 18 4.367 -12.252 -8.551 112 1HH2 ARG 18 1HH1 ARG 18 2.182 -12.117 -5.862 113 2HH2 ARG 18 2HH1 ARG 18 2.983 -13.145 -7.003 114 HA PRO 19 HA PRO 19 7.380 -2.754 -6.851 115 1HB PRO 19 2HB PRO 19 8.997 -4.109 -4.762 116 2HB PRO 19 1HB PRO 19 8.175 -2.539 -4.713 117 1HG PRO 19 2HG PRO 19 7.231 -4.623 -3.371 118 2HG PRO 19 1HG PRO 19 6.147 -3.464 -4.157 119 1HD PRO 19 2HD PRO 19 6.888 -6.240 -5.026 120 2HD PRO 19 1HD PRO 19 5.325 -5.404 -5.139 121 H THR 20 H THR 20 9.383 -2.099 -7.678 122 HA THR 20 HA THR 20 10.879 -4.139 -9.107 123 HB THR 20 HB THR 20 11.918 -2.341 -10.262 124 HG1 THR 20 1HG THR 20 12.549 -0.935 -8.766 125 1HG2 THR 20 1HG2 THR 20 9.465 -2.677 -10.694 126 2HG2 THR 20 2HG2 THR 20 10.033 -1.047 -11.052 127 3HG2 THR 20 3HG2 THR 20 9.139 -1.362 -9.564 128 H PHE 21 H PHE 21 10.949 -3.118 -6.020 129 HA PHE 21 HA PHE 21 13.844 -3.650 -5.785 130 1HB PHE 21 2HB PHE 21 13.378 -1.214 -5.501 131 2HB PHE 21 1HB PHE 21 12.319 -1.612 -4.147 132 HD1 PHE 21 1HD PHE 21 15.819 -2.003 -5.392 133 HD2 PHE 21 2HD PHE 21 13.200 -1.973 -1.987 134 HE1 PHE 21 1HE PHE 21 17.783 -2.101 -3.880 135 HE2 PHE 21 2HE PHE 21 15.163 -2.072 -0.476 136 HZ PHE 21 HZ PHE 21 17.455 -2.135 -1.422 137 H VAL 22 H VAL 22 14.466 -4.849 -3.996 138 HA VAL 22 HA VAL 22 12.295 -5.846 -2.257 139 HB VAL 22 HB VAL 22 14.508 -7.675 -3.101 140 1HG1 VAL 22 1HG1 VAL 22 11.570 -8.155 -2.536 141 2HG1 VAL 22 2HG1 VAL 22 12.823 -8.215 -1.297 142 3HG1 VAL 22 3HG1 VAL 22 12.848 -9.366 -2.633 143 1HG2 VAL 22 1HG2 VAL 22 12.915 -8.442 -4.949 144 2HG2 VAL 22 2HG2 VAL 22 13.756 -6.920 -5.244 145 3HG2 VAL 22 3HG2 VAL 22 12.071 -6.910 -4.725 146 H GLY 23 H GLY 23 12.827 -6.167 -0.133 147 1HA GLY 23 2HA GLY 23 15.637 -5.687 0.652 148 2HA GLY 23 1HA GLY 23 14.319 -4.835 1.451 149 H GLU 24 H GLU 24 13.523 -5.729 3.249 150 HA GLU 24 HA GLU 24 13.547 -8.643 3.564 151 1HB GLU 24 2HB GLU 24 14.783 -6.755 5.583 152 2HB GLU 24 1HB GLU 24 14.575 -8.494 5.788 153 1HG GLU 24 2HG GLU 24 15.961 -8.823 3.707 154 2HG GLU 24 1HG GLU 24 16.295 -7.092 3.727 155 H GLU 25 H GLU 25 12.951 -5.711 5.521 156 HA GLU 25 HA GLU 25 10.467 -6.890 6.511 157 1HB GLU 25 2HB GLU 25 12.023 -5.750 8.077 158 2HB GLU 25 1HB GLU 25 11.761 -4.242 7.201 159 1HG GLU 25 2HG GLU 25 9.345 -4.376 7.694 160 2HG GLU 25 1HG GLU 25 9.611 -5.877 8.579 161 H VAL 26 H VAL 26 8.603 -6.546 5.504 162 HA VAL 26 HA VAL 26 8.336 -4.139 3.809 163 HB VAL 26 HB VAL 26 6.613 -6.602 3.607 164 1HG1 VAL 26 1HG1 VAL 26 6.371 -5.767 1.278 165 2HG1 VAL 26 2HG1 VAL 26 7.408 -4.398 1.679 166 3HG1 VAL 26 3HG1 VAL 26 5.839 -4.576 2.464 167 1HG2 VAL 26 1HG2 VAL 26 9.320 -6.057 2.357 168 2HG2 VAL 26 2HG2 VAL 26 8.189 -7.253 1.723 169 3HG2 VAL 26 3HG2 VAL 26 8.857 -7.442 3.345 170 H THR 27 H THR 27 6.714 -2.727 4.177 171 HA THR 27 HA THR 27 4.603 -3.465 6.095 172 HB THR 27 HB THR 27 5.218 -0.755 6.575 173 HG1 THR 27 1HG THR 27 7.417 -1.043 7.266 174 1HG2 THR 27 1HG2 THR 27 4.301 -2.416 8.169 175 2HG2 THR 27 2HG2 THR 27 5.712 -1.587 8.828 176 3HG2 THR 27 3HG2 THR 27 5.866 -3.229 8.202 177 H LYS 28 H LYS 28 2.877 -1.688 6.136 178 HA LYS 28 HA LYS 28 2.581 -0.447 3.473 179 1HB LYS 28 2HB LYS 28 0.103 -1.060 3.680 180 2HB LYS 28 1HB LYS 28 1.215 -2.373 3.287 181 1HG LYS 28 2HG LYS 28 1.318 -2.950 5.720 182 2HG LYS 28 1HG LYS 28 0.092 -1.720 6.026 183 1HD LYS 28 2HD LYS 28 -1.429 -2.899 4.430 184 2HD LYS 28 1HD LYS 28 -0.219 -4.174 4.273 185 1HE LYS 28 2HE LYS 28 -1.473 -3.326 6.901 186 2HE LYS 28 1HE LYS 28 -1.998 -4.715 5.950 187 1HZ LYS 28 1HZ LYS 28 0.838 -4.641 6.414 188 2HZ LYS 28 2HZ LYS 28 -0.264 -5.918 6.621 189 3HZ LYS 28 3HZ LYS 28 -0.069 -4.755 7.844 190 H GLY 29 H GLY 29 2.447 1.676 3.780 191 1HA GLY 29 2HA GLY 29 1.984 2.998 6.187 192 2HA GLY 29 1HA GLY 29 1.777 3.721 4.595 193 H PHE 30 H PHE 30 -0.314 2.919 3.452 194 HA PHE 30 HA PHE 30 -2.518 3.422 5.303 195 1HB PHE 30 2HB PHE 30 -2.363 3.298 2.286 196 2HB PHE 30 1HB PHE 30 -3.858 3.574 3.180 197 HD1 PHE 30 1HD PHE 30 -1.168 5.171 1.590 198 HD2 PHE 30 2HD PHE 30 -3.641 5.449 5.091 199 HE1 PHE 30 1HE PHE 30 -0.602 7.577 1.799 200 HE2 PHE 30 2HE PHE 30 -3.074 7.855 5.301 201 HZ PHE 30 HZ PHE 30 -1.555 8.918 3.654 202 H GLU 31 H GLU 31 -3.668 1.823 6.153 203 HA GLU 31 HA GLU 31 -3.338 -0.901 5.319 204 1HB GLU 31 2HB GLU 31 -3.788 -0.173 7.680 205 2HB GLU 31 1HB GLU 31 -5.431 0.236 7.185 206 1HG GLU 31 2HG GLU 31 -5.767 -2.101 6.424 207 2HG GLU 31 1HG GLU 31 -4.143 -2.501 6.980 208 H LYS 32 H LYS 32 -5.509 1.665 4.513 209 HA LYS 32 HA LYS 32 -7.795 0.259 3.729 210 1HB LYS 32 2HB LYS 32 -6.630 2.715 2.397 211 2HB LYS 32 1HB LYS 32 -8.311 2.181 2.338 212 1HG LYS 32 2HG LYS 32 -6.855 2.868 4.905 213 2HG LYS 32 1HG LYS 32 -7.878 4.003 4.024 214 1HD LYS 32 2HD LYS 32 -9.701 2.179 4.163 215 2HD LYS 32 1HD LYS 32 -8.681 1.440 5.399 216 1HE LYS 32 2HE LYS 32 -10.220 2.856 6.566 217 2HE LYS 32 1HE LYS 32 -8.672 3.701 6.571 218 1HZ LYS 32 1HZ LYS 32 -9.419 4.957 4.628 219 2HZ LYS 32 2HZ LYS 32 -10.441 5.200 5.963 220 3HZ LYS 32 3HZ LYS 32 -10.923 4.179 4.694 221 H ASP 33 H ASP 33 -8.525 -0.308 1.576 222 HA ASP 33 HA ASP 33 -8.310 -1.500 -0.377 223 1HB ASP 33 2HB ASP 33 -7.298 0.785 -0.980 224 2HB ASP 33 1HB ASP 33 -5.731 -0.006 -0.818 225 H ASN 34 H ASN 34 -5.563 -1.967 -1.572 226 HA ASN 34 HA ASN 34 -5.025 -4.419 -0.073 227 1HB ASN 34 2HB ASN 34 -3.968 -3.413 -2.725 228 2HB ASN 34 1HB ASN 34 -3.583 -4.979 -2.015 229 1HD2 ASN 34 1HD2 ASN 34 -4.933 -4.777 -4.537 230 2HD2 ASN 34 2HD2 ASN 34 -6.512 -5.367 -4.342 231 H GLY 35 H GLY 35 -4.120 -1.407 0.418 232 1HA GLY 35 2HA GLY 35 -2.328 -1.123 2.101 233 2HA GLY 35 1HA GLY 35 -1.316 -2.115 1.056 234 H LEU 36 H LEU 36 -2.651 -0.690 -1.303 235 HA LEU 36 HA LEU 36 -2.095 1.028 -2.722 236 1HB LEU 36 2HB LEU 36 -1.780 2.634 -0.176 237 2HB LEU 36 1HB LEU 36 -2.110 3.256 -1.794 238 HG LEU 36 HG LEU 36 -3.933 1.429 -0.201 239 1HD1 LEU 36 1HD1 LEU 36 -3.685 3.904 0.483 240 2HD1 LEU 36 2HD1 LEU 36 -5.317 3.321 0.153 241 3HD1 LEU 36 3HD1 LEU 36 -4.459 4.277 -1.056 242 1HD2 LEU 36 1HD2 LEU 36 -4.014 2.553 -2.995 243 2HD2 LEU 36 2HD2 LEU 36 -5.513 2.197 -2.137 244 3HD2 LEU 36 3HD2 LEU 36 -4.352 0.909 -2.455 245 H LEU 37 H LEU 37 -0.096 2.109 -0.003 246 HA LEU 37 HA LEU 37 2.277 1.794 -1.732 247 1HB LEU 37 2HB LEU 37 1.789 4.103 -1.004 248 2HB LEU 37 1HB LEU 37 1.884 3.583 0.679 249 HG LEU 37 HG LEU 37 4.235 2.686 0.047 250 1HD1 LEU 37 1HD1 LEU 37 4.231 4.850 -2.012 251 2HD1 LEU 37 2HD1 LEU 37 3.551 3.287 -2.467 252 3HD1 LEU 37 3HD1 LEU 37 5.223 3.395 -1.916 253 1HD2 LEU 37 1HD2 LEU 37 3.638 5.661 0.136 254 2HD2 LEU 37 2HD2 LEU 37 5.223 4.944 0.429 255 3HD2 LEU 37 3HD2 LEU 37 3.885 4.606 1.528 256 H PHE 38 H PHE 38 3.839 0.413 -1.165 257 HA PHE 38 HA PHE 38 3.666 -0.845 1.503 258 1HB PHE 38 2HB PHE 38 4.956 -1.922 -1.016 259 2HB PHE 38 1HB PHE 38 4.768 -2.778 0.515 260 HD1 PHE 38 1HD PHE 38 2.520 -3.448 1.318 261 HD2 PHE 38 2HD PHE 38 3.096 -1.624 -2.528 262 HE1 PHE 38 1HE PHE 38 0.256 -4.187 0.628 263 HE2 PHE 38 2HE PHE 38 0.832 -2.363 -3.218 264 HZ PHE 38 HZ PHE 38 -0.588 -3.646 -1.640 265 H ARG 39 H ARG 39 5.262 -0.475 2.902 266 HA ARG 39 HA ARG 39 7.576 1.069 2.069 267 1HB ARG 39 2HB ARG 39 6.385 1.566 4.189 268 2HB ARG 39 1HB ARG 39 6.857 -0.020 4.800 269 1HG ARG 39 2HG ARG 39 9.218 0.560 4.603 270 2HG ARG 39 1HG ARG 39 8.802 2.114 3.876 271 1HD ARG 39 2HD ARG 39 9.262 2.513 6.208 272 2HD ARG 39 1HD ARG 39 7.522 2.660 5.979 273 HE ARG 39 HE ARG 39 8.361 0.004 6.748 274 1HH1 ARG 39 1HH2 ARG 39 7.500 3.185 7.801 275 2HH1 ARG 39 2HH2 ARG 39 6.991 2.675 9.377 276 1HH2 ARG 39 1HH1 ARG 39 7.696 -0.673 8.812 277 2HH2 ARG 39 2HH1 ARG 39 7.103 0.491 9.949 278 H ILE 40 H ILE 40 9.451 0.212 1.471 279 HA ILE 40 HA ILE 40 10.025 -2.588 2.228 280 HB ILE 40 HB ILE 40 11.127 -1.010 -0.108 281 1HG1 ILE 40 2HG1 ILE 40 9.055 -3.225 -0.113 282 2HG1 ILE 40 1HG1 ILE 40 8.648 -1.511 -0.207 283 1HG2 ILE 40 1HG2 ILE 40 11.730 -3.380 -0.847 284 2HG2 ILE 40 2HG2 ILE 40 11.358 -3.886 0.801 285 3HG2 ILE 40 3HG2 ILE 40 12.662 -2.736 0.504 286 1HD1 ILE 40 1HD1 ILE 40 10.187 -1.363 -2.218 287 2HD1 ILE 40 2HD1 ILE 40 8.731 -2.329 -2.466 288 3HD1 ILE 40 3HD1 ILE 40 10.280 -3.124 -2.183 289 H VAL 41 H VAL 41 11.786 -3.012 3.421 290 HA VAL 41 HA VAL 41 13.856 -0.927 3.682 291 HB VAL 41 HB VAL 41 12.648 -2.476 5.986 292 1HG1 VAL 41 1HG1 VAL 41 14.029 -0.723 7.268 293 2HG1 VAL 41 2HG1 VAL 41 14.866 -0.438 5.742 294 3HG1 VAL 41 3HG1 VAL 41 14.926 -2.031 6.497 295 1HG2 VAL 41 1HG2 VAL 41 12.454 0.476 5.308 296 2HG2 VAL 41 2HG2 VAL 41 11.689 -0.343 6.670 297 3HG2 VAL 41 3HG2 VAL 41 11.167 -0.695 5.022 298 H ASN 42 H ASN 42 15.856 -1.698 3.441 299 HA ASN 42 HA ASN 42 16.244 -4.624 3.586 300 1HB ASN 42 2HB ASN 42 16.671 -3.334 1.399 301 2HB ASN 42 1HB ASN 42 18.093 -2.682 2.212 302 1HD2 ASN 42 1HD2 ASN 42 16.660 -5.988 2.338 303 2HD2 ASN 42 2HD2 ASN 42 18.073 -6.775 1.820 304 H LYS 43 H LYS 43 16.927 -5.063 5.612 305 HA LYS 43 HA LYS 43 18.349 -3.394 7.329 306 1HB LYS 43 2HB LYS 43 18.370 -6.418 7.169 307 2HB LYS 43 1HB LYS 43 18.968 -5.474 8.534 308 1HG LYS 43 2HG LYS 43 16.705 -4.437 8.753 309 2HG LYS 43 1HG LYS 43 16.128 -5.507 7.474 310 1HD LYS 43 2HD LYS 43 16.837 -7.467 8.852 311 2HD LYS 43 1HD LYS 43 17.270 -6.355 10.151 312 1HE LYS 43 2HE LYS 43 15.061 -7.100 10.660 313 2HE LYS 43 1HE LYS 43 14.873 -5.474 10.003 314 1HZ LYS 43 1HZ LYS 43 13.314 -7.120 9.055 315 2HZ LYS 43 2HZ LYS 43 14.636 -7.959 8.398 316 3HZ LYS 43 3HZ LYS 43 14.293 -6.376 7.887 317 H LYS 44 H LYS 44 19.486 -5.485 4.753 318 HA LYS 44 HA LYS 44 22.157 -5.787 5.300 319 1HB LYS 44 2HB LYS 44 20.523 -6.030 3.032 320 2HB LYS 44 1HB LYS 44 21.836 -4.955 2.550 321 1HG LYS 44 2HG LYS 44 22.285 -7.582 3.988 322 2HG LYS 44 1HG LYS 44 22.321 -7.421 2.232 323 1HD LYS 44 2HD LYS 44 23.979 -5.535 3.862 324 2HD LYS 44 1HD LYS 44 24.550 -7.193 3.659 325 1HE LYS 44 2HE LYS 44 24.363 -6.958 1.208 326 2HE LYS 44 1HE LYS 44 23.805 -5.297 1.412 327 1HZ LYS 44 1HZ LYS 44 25.944 -4.951 2.695 328 2HZ LYS 44 2HZ LYS 44 26.085 -5.130 1.012 329 3HZ LYS 44 3HZ LYS 44 26.464 -6.427 2.042 330 H LYS 45 H LYS 45 21.025 -3.163 3.166 331 HA LYS 45 HA LYS 45 23.311 -1.542 4.047 332 1HB LYS 45 2HB LYS 45 21.394 -1.181 1.732 333 2HB LYS 45 1HB LYS 45 22.770 -0.135 2.086 334 1HG LYS 45 2HG LYS 45 24.203 -2.266 1.996 335 2HG LYS 45 1HG LYS 45 22.801 -3.039 1.256 336 1HD LYS 45 2HD LYS 45 24.169 -0.540 0.216 337 2HD LYS 45 1HD LYS 45 24.360 -2.159 -0.457 338 1HE LYS 45 2HE LYS 45 21.779 -2.154 -0.670 339 2HE LYS 45 1HE LYS 45 21.904 -0.409 -0.448 340 1HZ LYS 45 1HZ LYS 45 22.126 -0.503 -2.683 341 2HZ LYS 45 2HZ LYS 45 22.781 -2.071 -2.680 342 3HZ LYS 45 3HZ LYS 45 23.757 -0.739 -2.280 343 H LYS 46 H LYS 46 20.159 -1.988 4.902 344 HA LYS 46 HA LYS 46 18.638 -0.762 6.108 345 1HB LYS 46 2HB LYS 46 21.274 0.416 6.764 346 2HB LYS 46 1HB LYS 46 19.867 1.405 7.156 347 1HG LYS 46 2HG LYS 46 19.896 -1.509 7.895 348 2HG LYS 46 1HG LYS 46 20.731 -0.336 8.915 349 1HD LYS 46 2HD LYS 46 18.776 0.709 9.558 350 2HD LYS 46 1HD LYS 46 17.945 0.310 8.055 351 1HE LYS 46 2HE LYS 46 17.325 -0.949 10.300 352 2HE LYS 46 1HE LYS 46 17.382 -1.826 8.772 353 1HZ LYS 46 1HZ LYS 46 19.228 -2.930 9.370 354 2HZ LYS 46 2HZ LYS 46 18.720 -2.565 10.950 355 3HZ LYS 46 3HZ LYS 46 19.901 -1.608 10.192 356 H GLN 47 H GLN 47 18.822 -0.246 3.302 357 HA GLN 47 HA GLN 47 18.360 2.655 3.111 358 1HB GLN 47 2HB GLN 47 18.541 2.385 0.725 359 2HB GLN 47 1HB GLN 47 19.889 1.525 1.469 360 1HG GLN 47 2HG GLN 47 18.340 -0.547 1.407 361 2HG GLN 47 1HG GLN 47 17.374 0.382 0.262 362 1HE2 GLN 47 1HE2 GLN 47 19.758 1.757 -0.903 363 2HE2 GLN 47 2HE2 GLN 47 20.551 0.584 -1.840 364 H TRP 48 H TRP 48 16.358 3.444 3.048 365 HA TRP 48 HA TRP 48 14.099 1.615 3.005 366 1HB TRP 48 2HB TRP 48 14.348 4.597 3.420 367 2HB TRP 48 1HB TRP 48 12.795 3.765 3.358 368 HD1 TRP 48 HD TRP 48 15.461 1.663 4.855 369 HE1 TRP 48 1HE TRP 48 15.188 1.562 7.416 370 HE3 TRP 48 3HE TRP 48 12.019 5.376 5.523 371 HZ2 TRP 48 2HZ TRP 48 13.705 2.882 9.477 372 HZ3 TRP 48 3HZ TRP 48 11.194 5.932 7.793 373 HH2 TRP 48 HH TRP 48 12.032 4.691 9.769 374 H ALA 49 H ALA 49 12.481 1.561 1.469 375 HA ALA 49 HA ALA 49 12.727 3.268 -0.902 376 1HB ALA 49 1HB ALA 49 12.414 1.161 -2.328 377 2HB ALA 49 2HB ALA 49 12.926 0.258 -0.903 378 3HB ALA 49 3HB ALA 49 14.018 1.427 -1.646 379 H TYR 50 H TYR 50 10.796 3.555 -2.016 380 HA TYR 50 HA TYR 50 8.419 2.278 -0.803 381 1HB TYR 50 2HB TYR 50 8.833 5.143 -1.656 382 2HB TYR 50 1HB TYR 50 7.235 4.450 -1.386 383 HD1 TYR 50 1HD TYR 50 6.817 3.279 0.887 384 HD2 TYR 50 2HD TYR 50 10.088 5.964 0.155 385 HE1 TYR 50 1HE TYR 50 7.074 3.632 3.328 386 HE2 TYR 50 2HE TYR 50 10.345 6.317 2.596 387 HH TYR 50 HH TYR 50 8.050 4.927 4.903 388 H TYR 51 H TYR 51 6.944 1.434 -2.170 389 HA TYR 51 HA TYR 51 7.369 1.863 -5.067 390 1HB TYR 51 2HB TYR 51 7.986 -0.395 -4.569 391 2HB TYR 51 1HB TYR 51 6.557 -0.629 -3.563 392 HD1 TYR 51 1HD TYR 51 4.644 -1.588 -4.502 393 HD2 TYR 51 2HD TYR 51 7.521 0.312 -7.064 394 HE1 TYR 51 1HE TYR 51 3.364 -2.331 -6.492 395 HE2 TYR 51 2HE TYR 51 6.241 -0.431 -9.053 396 HH TYR 51 HH TYR 51 4.567 -1.731 -9.780 397 H ASN 52 H ASN 52 5.703 2.722 -6.131 398 HA ASN 52 HA ASN 52 3.135 2.988 -4.741 399 1HB ASN 52 2HB ASN 52 4.143 5.022 -5.671 400 2HB ASN 52 1HB ASN 52 4.154 4.292 -7.275 401 1HD2 ASN 52 1HD2 ASN 52 2.740 6.512 -7.397 402 2HD2 ASN 52 2HD2 ASN 52 1.066 6.259 -7.266 403 H ASP 53 H ASP 53 1.315 1.981 -5.369 404 HA ASP 53 HA ASP 53 1.493 0.195 -7.710 405 1HB ASP 53 2HB ASP 53 -0.254 -1.116 -6.675 406 2HB ASP 53 1HB ASP 53 1.012 -0.831 -5.482 407 H THR 54 H THR 54 -0.569 2.597 -6.121 408 HA THR 54 HA THR 54 -2.731 2.546 -7.904 409 HB THR 54 HB THR 54 -3.008 4.985 -7.154 410 HG1 THR 54 1HG THR 54 -1.506 5.804 -5.926 411 1HG2 THR 54 1HG2 THR 54 -3.612 4.284 -4.854 412 2HG2 THR 54 2HG2 THR 54 -2.717 2.783 -5.092 413 3HG2 THR 54 3HG2 THR 54 -4.154 3.116 -6.059 414 H THR 55 H THR 55 -2.709 2.869 -10.028 415 HA THR 55 HA THR 55 -0.557 4.384 -11.276 416 HB THR 55 HB THR 55 -1.573 3.624 -13.389 417 HG1 THR 55 1HG THR 55 -3.330 1.895 -12.565 418 1HG2 THR 55 1HG2 THR 55 -1.385 1.411 -11.327 419 2HG2 THR 55 2HG2 THR 55 -0.005 2.154 -12.135 420 3HG2 THR 55 3HG2 THR 55 -1.184 1.233 -13.070 421 H GLN 56 H GLN 56 -3.471 5.145 -9.894 422 HA GLN 56 HA GLN 56 -4.162 7.244 -11.824 423 1HB GLN 56 2HB GLN 56 -5.980 5.862 -10.880 424 2HB GLN 56 1HB GLN 56 -5.545 6.416 -9.262 425 1HG GLN 56 2HG GLN 56 -6.047 8.718 -9.863 426 2HG GLN 56 1HG GLN 56 -6.348 8.251 -11.536 427 1HE2 GLN 56 1HE2 GLN 56 -8.448 9.524 -10.318 428 2HE2 GLN 56 2HE2 GLN 56 -9.671 8.421 -9.906 429 H TYR 57 H TYR 57 -3.291 6.878 -8.393 430 HA TYR 57 HA TYR 57 -2.621 9.759 -8.344 431 1HB TYR 57 2HB TYR 57 -2.972 8.205 -5.823 432 2HB TYR 57 1HB TYR 57 -3.343 9.895 -6.164 433 HD1 TYR 57 1HD TYR 57 -4.562 6.446 -6.300 434 HD2 TYR 57 2HD TYR 57 -5.397 10.514 -7.400 435 HE1 TYR 57 1HE TYR 57 -6.926 5.841 -6.745 436 HE2 TYR 57 2HE TYR 57 -7.760 9.908 -7.846 437 HH TYR 57 HH TYR 57 -9.066 6.819 -6.945 438 H GLU 58 H GLU 58 -0.688 10.407 -7.340 439 HA GLU 58 HA GLU 58 1.408 8.359 -7.363 440 1HB GLU 58 2HB GLU 58 2.771 10.611 -6.894 441 2HB GLU 58 1HB GLU 58 2.264 10.146 -8.518 442 1HG GLU 58 2HG GLU 58 0.256 11.528 -8.320 443 2HG GLU 58 1HG GLU 58 0.682 11.946 -6.661 444 H MET 59 H MET 59 2.832 8.040 -5.618 445 HA MET 59 HA MET 59 1.606 8.564 -3.010 446 1HB MET 59 2HB MET 59 3.645 6.634 -4.047 447 2HB MET 59 1HB MET 59 3.619 7.016 -2.325 448 1HG MET 59 2HG MET 59 2.176 5.023 -3.125 449 2HG MET 59 1HG MET 59 1.415 6.204 -2.058 450 1HE MET 59 1HE MET 59 -1.734 5.925 -3.960 451 2HE MET 59 2HE MET 59 -0.902 6.226 -2.436 452 3HE MET 59 3HE MET 59 -0.708 4.673 -3.245 453 H HIS 60 H HIS 60 2.274 10.184 -1.769 454 HA HIS 60 HA HIS 60 4.939 11.352 -2.273 455 1HB HIS 60 2HB HIS 60 2.483 12.527 -0.949 456 2HB HIS 60 1HB HIS 60 4.038 13.348 -1.086 457 HD1 HIS 60 1HD HIS 60 4.336 14.721 -3.145 458 HD2 HIS 60 2HD HIS 60 1.462 11.750 -3.689 459 HE1 HIS 60 1HE HIS 60 3.380 15.065 -5.466 460 HE2 HIS 60 2HE HIS 60 1.627 13.261 -5.812 461 H VAL 61 H VAL 61 6.477 10.846 -0.858 462 HA VAL 61 HA VAL 61 5.704 9.820 1.784 463 HB VAL 61 HB VAL 61 8.310 9.728 0.251 464 1HG1 VAL 61 1HG1 VAL 61 8.925 9.884 2.552 465 2HG1 VAL 61 2HG1 VAL 61 8.956 8.162 2.172 466 3HG1 VAL 61 3HG1 VAL 61 7.590 8.847 3.054 467 1HG2 VAL 61 1HG2 VAL 61 7.847 7.376 0.053 468 2HG2 VAL 61 2HG2 VAL 61 6.371 8.220 -0.419 469 3HG2 VAL 61 3HG2 VAL 61 6.495 7.486 1.179 470 H LEU 62 H LEU 62 6.086 10.896 3.624 471 HA LEU 62 HA LEU 62 8.014 13.108 3.647 472 1HB LEU 62 2HB LEU 62 5.822 14.127 3.125 473 2HB LEU 62 1HB LEU 62 5.147 13.396 4.583 474 HG LEU 62 HG LEU 62 6.996 14.593 5.877 475 1HD1 LEU 62 1HD1 LEU 62 7.725 16.724 4.564 476 2HD1 LEU 62 2HD1 LEU 62 7.324 15.781 3.127 477 3HD1 LEU 62 3HD1 LEU 62 8.568 15.208 4.239 478 1HD2 LEU 62 1HD2 LEU 62 5.762 16.732 5.881 479 2HD2 LEU 62 2HD2 LEU 62 4.645 15.367 5.843 480 3HD2 LEU 62 3HD2 LEU 62 4.971 16.281 4.371 481 H VAL 63 H VAL 63 9.328 11.883 5.004 482 HA VAL 63 HA VAL 63 8.180 11.205 7.644 483 HB VAL 63 HB VAL 63 10.646 10.055 6.317 484 1HG1 VAL 63 1HG1 VAL 63 10.733 10.008 8.767 485 2HG1 VAL 63 2HG1 VAL 63 10.459 8.381 8.145 486 3HG1 VAL 63 3HG1 VAL 63 9.119 9.302 8.829 487 1HG2 VAL 63 1HG2 VAL 63 9.346 8.174 5.722 488 2HG2 VAL 63 2HG2 VAL 63 8.306 9.539 5.315 489 3HG2 VAL 63 3HG2 VAL 63 8.029 8.632 6.802 490 H THR 64 H THR 64 9.015 12.121 9.431 491 HA THR 64 HA THR 64 11.361 13.888 9.087 492 HB THR 64 HB THR 64 9.121 14.091 11.115 493 HG1 THR 64 1HG THR 64 9.435 16.126 9.361 494 1HG2 THR 64 1HG2 THR 64 11.569 15.758 10.520 495 2HG2 THR 64 2HG2 THR 64 11.092 15.039 12.058 496 3HG2 THR 64 3HG2 THR 64 10.184 16.401 11.401 497 H PHE 65 H PHE 65 13.111 13.578 10.353 498 HA PHE 65 HA PHE 65 12.905 11.518 12.467 499 1HB PHE 65 2HB PHE 65 15.503 12.127 11.119 500 2HB PHE 65 1HB PHE 65 14.935 10.616 11.830 501 HD1 PHE 65 1HD PHE 65 13.567 9.066 10.577 502 HD2 PHE 65 2HD PHE 65 14.697 12.852 8.892 503 HE1 PHE 65 1HE PHE 65 12.794 8.304 8.348 504 HE2 PHE 65 2HE PHE 65 13.923 12.091 6.662 505 HZ PHE 65 HZ PHE 65 12.972 9.816 6.390 506 H ASN 66 H ASN 66 14.514 11.737 14.213 507 HA ASN 66 HA ASN 66 14.606 14.472 15.156 508 1HB ASN 66 2HB ASN 66 14.117 12.438 16.600 509 2HB ASN 66 1HB ASN 66 15.831 12.043 16.467 510 1HD2 ASN 66 1HD2 ASN 66 17.118 12.939 18.081 511 2HD2 ASN 66 2HD2 ASN 66 16.719 14.314 18.992 512 H GLU 67 H GLU 67 16.589 15.452 15.984 513 HA GLU 67 HA GLU 67 18.594 15.730 14.107 514 1HB GLU 67 2HB GLU 67 18.423 17.358 15.840 515 2HB GLU 67 1HB GLU 67 18.645 16.142 17.099 516 1HG GLU 67 2HG GLU 67 20.933 15.837 16.559 517 2HG GLU 67 1HG GLU 67 20.759 16.651 15.005 518 H ASP 68 H ASP 68 18.706 13.731 17.062 519 HA ASP 68 HA ASP 68 21.226 12.545 16.366 520 1HB ASP 68 2HB ASP 68 20.386 12.812 18.712 521 2HB ASP 68 1HB ASP 68 19.184 11.569 18.372 522 H CYS 69 H CYS 69 20.578 11.891 14.159 523 HA CYS 69 HA CYS 69 19.734 9.109 14.174 524 1HB CYS 69 2HB CYS 69 18.256 11.110 12.451 525 2HB CYS 69 1HB CYS 69 17.953 9.376 12.567 526 HG CYS 69 HG CYS 69 16.676 9.730 14.670 527 H ASP 70 H ASP 70 21.344 8.182 13.086 528 HA ASP 70 HA ASP 70 22.904 9.609 11.132 529 1HB ASP 70 2HB ASP 70 23.750 7.799 12.722 530 2HB ASP 70 1HB ASP 70 22.967 6.638 11.652 531 H ILE 71 H ILE 71 21.151 10.139 9.654 532 HA ILE 71 HA ILE 71 20.498 7.877 7.861 533 HB ILE 71 HB ILE 71 18.381 9.019 7.340 534 1HG1 ILE 71 2HG1 ILE 71 19.292 10.955 9.495 535 2HG1 ILE 71 1HG1 ILE 71 19.104 11.326 7.780 536 1HG2 ILE 71 1HG2 ILE 71 18.555 7.353 9.217 537 2HG2 ILE 71 2HG2 ILE 71 17.252 8.521 9.427 538 3HG2 ILE 71 3HG2 ILE 71 18.755 8.705 10.332 539 1HD1 ILE 71 1HD1 ILE 71 16.666 10.580 8.039 540 2HD1 ILE 71 2HD1 ILE 71 17.102 12.102 8.816 541 3HD1 ILE 71 3HD1 ILE 71 16.944 10.634 9.780 542 H LYS 72 H LYS 72 20.284 8.415 5.607 543 HA LYS 72 HA LYS 72 21.496 10.977 4.804 544 1HB LYS 72 2HB LYS 72 23.136 8.937 4.916 545 2HB LYS 72 1HB LYS 72 22.334 8.451 3.422 546 1HG LYS 72 2HG LYS 72 22.787 10.800 2.554 547 2HG LYS 72 1HG LYS 72 23.824 11.029 3.962 548 1HD LYS 72 2HD LYS 72 25.390 10.249 2.448 549 2HD LYS 72 1HD LYS 72 24.856 8.718 3.144 550 1HE LYS 72 2HE LYS 72 24.878 8.589 0.684 551 2HE LYS 72 1HE LYS 72 23.231 8.449 1.301 552 1HZ LYS 72 1HZ LYS 72 24.019 11.163 0.832 553 2HZ LYS 72 2HZ LYS 72 22.634 10.330 0.305 554 3HZ LYS 72 3HZ LYS 72 24.083 10.222 -0.577 555 H ALA 73 H ALA 73 21.160 11.471 2.512 556 HA ALA 73 HA ALA 73 18.525 10.547 1.638 557 1HB ALA 73 1HB ALA 73 19.985 12.537 0.013 558 2HB ALA 73 2HB ALA 73 19.632 13.028 1.670 559 3HB ALA 73 3HB ALA 73 18.319 12.553 0.593 560 H LEU 74 H LEU 74 18.136 9.455 -0.244 561 HA LEU 74 HA LEU 74 20.507 8.313 -1.571 562 1HB LEU 74 2HB LEU 74 17.630 7.366 -1.539 563 2HB LEU 74 1HB LEU 74 18.969 6.546 -2.343 564 HG LEU 74 HG LEU 74 18.879 7.162 0.624 565 1HD1 LEU 74 1HD1 LEU 74 18.567 4.458 -0.693 566 2HD1 LEU 74 2HD1 LEU 74 17.179 5.458 -0.264 567 3HD1 LEU 74 3HD1 LEU 74 18.277 4.885 0.993 568 1HD2 LEU 74 1HD2 LEU 74 21.137 6.925 0.131 569 2HD2 LEU 74 2HD2 LEU 74 20.832 5.859 -1.240 570 3HD2 LEU 74 3HD2 LEU 74 20.700 5.239 0.406 571 H GLY 75 H GLY 75 17.456 8.085 -3.133 572 1HA GLY 75 2HA GLY 75 18.351 9.093 -5.582 573 2HA GLY 75 1HA GLY 75 16.659 8.908 -5.130 574 H LYS 76 H LYS 76 16.152 10.850 -6.262 575 HA LYS 76 HA LYS 76 17.356 13.350 -5.813 576 1HB LYS 76 2HB LYS 76 15.386 14.304 -6.838 577 2HB LYS 76 1HB LYS 76 15.779 12.805 -7.682 578 1HG LYS 76 2HG LYS 76 14.129 11.626 -6.170 579 2HG LYS 76 1HG LYS 76 13.635 13.215 -5.582 580 1HD LYS 76 2HD LYS 76 13.548 12.307 -8.475 581 2HD LYS 76 1HD LYS 76 12.154 12.448 -7.404 582 1HE LYS 76 2HE LYS 76 13.867 14.630 -8.567 583 2HE LYS 76 1HE LYS 76 12.108 14.490 -8.553 584 1HZ LYS 76 1HZ LYS 76 12.611 16.085 -6.941 585 2HZ LYS 76 2HZ LYS 76 13.911 15.188 -6.314 586 3HZ LYS 76 3HZ LYS 76 12.313 14.672 -6.051 587 H THR 77 H THR 77 15.834 11.445 -3.605 588 HA THR 77 HA THR 77 14.044 12.952 -2.177 589 HB THR 77 HB THR 77 16.266 11.278 -0.982 590 HG1 THR 77 1HG THR 77 13.655 10.596 -1.852 591 1HG2 THR 77 1HG2 THR 77 14.549 10.929 0.818 592 2HG2 THR 77 2HG2 THR 77 13.559 12.166 0.042 593 3HG2 THR 77 3HG2 THR 77 15.136 12.588 0.709 594 H LYS 78 H LYS 78 14.143 14.985 -1.493 595 HA LYS 78 HA LYS 78 16.672 16.333 -1.107 596 1HB LYS 78 2HB LYS 78 14.599 17.406 -2.085 597 2HB LYS 78 1HB LYS 78 13.912 17.378 -0.461 598 1HG LYS 78 2HG LYS 78 14.892 19.490 -0.492 599 2HG LYS 78 1HG LYS 78 16.194 18.521 0.201 600 1HD LYS 78 2HD LYS 78 17.258 18.310 -1.983 601 2HD LYS 78 1HD LYS 78 15.918 19.166 -2.749 602 1HE LYS 78 2HE LYS 78 17.837 20.676 -2.366 603 2HE LYS 78 1HE LYS 78 16.432 21.177 -1.425 604 1HZ LYS 78 1HZ LYS 78 18.523 19.406 -0.308 605 2HZ LYS 78 2HZ LYS 78 17.340 20.298 0.526 606 3HZ LYS 78 3HZ LYS 78 18.639 21.095 -0.223 607 H LEU 79 H LEU 79 17.779 16.400 0.732 608 HA LEU 79 HA LEU 79 16.337 15.864 3.261 609 1HB LEU 79 2HB LEU 79 17.846 14.033 2.732 610 2HB LEU 79 1HB LEU 79 19.179 15.163 2.493 611 HG LEU 79 HG LEU 79 19.049 15.856 4.839 612 1HD1 LEU 79 1HD1 LEU 79 16.617 14.097 4.766 613 2HD1 LEU 79 2HD1 LEU 79 16.818 15.691 5.492 614 3HD1 LEU 79 3HD1 LEU 79 17.509 14.271 6.278 615 1HD2 LEU 79 1HD2 LEU 79 20.510 13.990 4.430 616 2HD2 LEU 79 2HD2 LEU 79 19.153 12.867 4.349 617 3HD2 LEU 79 3HD2 LEU 79 19.599 13.604 5.889 618 H GLU 80 H GLU 80 16.496 17.345 4.838 619 HA GLU 80 HA GLU 80 18.723 19.206 4.944 620 1HB GLU 80 2HB GLU 80 17.195 21.199 4.929 621 2HB GLU 80 1HB GLU 80 17.335 20.388 3.369 622 1HG GLU 80 2HG GLU 80 15.243 19.143 3.848 623 2HG GLU 80 1HG GLU 80 15.089 20.016 5.371 624 H GLN 81 H GLN 81 18.789 20.404 6.921 625 HA GLN 81 HA GLN 81 17.151 19.169 9.047 626 1HB GLN 81 2HB GLN 81 19.614 18.819 9.188 627 2HB GLN 81 1HB GLN 81 19.824 20.568 9.299 628 1HG GLN 81 2HG GLN 81 18.476 20.629 11.342 629 2HG GLN 81 1HG GLN 81 18.178 18.895 11.219 630 1HE2 GLN 81 1HE2 GLN 81 19.376 19.692 13.558 631 2HE2 GLN 81 2HE2 GLN 81 21.025 19.291 13.561 632 H GLN 82 H GLN 82 16.309 20.486 10.712 633 HA GLN 82 HA GLN 82 15.901 23.290 9.893 634 1HB GLN 82 2HB GLN 82 14.273 21.972 12.027 635 2HB GLN 82 1HB GLN 82 13.805 23.212 10.864 636 1HG GLN 82 2HG GLN 82 14.295 20.278 10.287 637 2HG GLN 82 1HG GLN 82 12.749 21.124 10.221 638 1HE2 GLN 82 1HE2 GLN 82 14.689 19.782 8.099 639 2HE2 GLN 82 2HE2 GLN 82 14.704 20.933 6.852 640 H GLU 83 H GLU 83 15.578 24.827 11.769 641 HA GLU 83 HA GLU 83 17.923 24.910 13.347 642 1HB GLU 83 2HB GLU 83 15.329 26.425 13.729 643 2HB GLU 83 1HB GLU 83 16.892 26.851 14.428 644 1HG GLU 83 2HG GLU 83 17.828 27.055 12.129 645 2HG GLU 83 1HG GLU 83 16.224 26.730 11.473 646 H ASN 84 H ASN 84 14.633 23.828 14.006 647 HA ASN 84 HA ASN 84 14.823 23.571 16.801 648 1HB ASN 84 2HB ASN 84 12.995 21.855 16.503 649 2HB ASN 84 1HB ASN 84 12.669 23.421 15.763 650 1HD2 ASN 84 1HD2 ASN 84 14.532 20.508 14.699 651 2HD2 ASN 84 2HD2 ASN 84 13.765 20.403 13.188 652 H GLY 85 H GLY 85 16.096 21.644 14.210 653 1HA GLY 85 2HA GLY 85 17.929 20.152 14.545 654 2HA GLY 85 1HA GLY 85 17.369 19.879 16.192 655 H GLU 86 H GLU 86 15.938 19.613 12.927 656 HA GLU 86 HA GLU 86 15.369 16.779 13.452 657 1HB GLU 86 2HB GLU 86 13.305 18.838 12.640 658 2HB GLU 86 1HB GLU 86 13.048 17.095 12.566 659 1HG GLU 86 2HG GLU 86 13.516 16.933 14.993 660 2HG GLU 86 1HG GLU 86 13.723 18.683 15.059 661 H TRP 87 H TRP 87 15.261 15.505 11.610 662 HA TRP 87 HA TRP 87 16.240 16.802 9.154 663 1HB TRP 87 2HB TRP 87 16.339 13.955 10.153 664 2HB TRP 87 1HB TRP 87 16.737 14.389 8.490 665 HD1 TRP 87 HD TRP 87 18.107 14.404 11.976 666 HE1 TRP 87 1HE TRP 87 20.487 15.394 11.974 667 HE3 TRP 87 3HE TRP 87 18.283 16.268 7.226 668 HZ2 TRP 87 2HZ TRP 87 22.236 16.787 10.192 669 HZ3 TRP 87 3HZ TRP 87 20.317 17.420 6.402 670 HH2 TRP 87 HH TRP 87 22.293 17.681 7.877 671 H VAL 88 H VAL 88 15.138 16.694 7.252 672 HA VAL 88 HA VAL 88 12.559 15.248 7.266 673 HB VAL 88 HB VAL 88 13.134 18.013 6.180 674 1HG1 VAL 88 1HG1 VAL 88 10.625 17.911 5.678 675 2HG1 VAL 88 2HG1 VAL 88 10.756 16.166 5.898 676 3HG1 VAL 88 3HG1 VAL 88 11.667 16.965 4.616 677 1HG2 VAL 88 1HG2 VAL 88 12.715 17.689 8.677 678 2HG2 VAL 88 2HG2 VAL 88 11.102 17.123 8.242 679 3HG2 VAL 88 3HG2 VAL 88 11.592 18.772 7.854 680 H ALA 89 H ALA 89 12.133 14.037 5.504 681 HA ALA 89 HA ALA 89 13.761 14.436 3.081 682 1HB ALA 89 1HB ALA 89 14.842 12.644 4.361 683 2HB ALA 89 2HB ALA 89 14.098 11.998 2.898 684 3HB ALA 89 3HB ALA 89 13.308 11.777 4.459 685 H SER 90 H SER 90 12.229 15.011 1.655 686 HA SER 90 HA SER 90 9.773 13.363 1.526 687 1HB SER 90 2HB SER 90 8.590 15.288 0.710 688 2HB SER 90 1HB SER 90 9.452 15.778 2.165 689 HG SER 90 HG SER 90 11.094 16.607 0.800 690 H VAL 91 H VAL 91 9.115 12.588 -0.446 691 HA VAL 91 HA VAL 91 10.355 13.413 -2.912 692 HB VAL 91 HB VAL 91 12.056 11.867 -1.819 693 1HG1 VAL 91 1HG1 VAL 91 10.078 9.716 -2.595 694 2HG1 VAL 91 2HG1 VAL 91 10.200 10.331 -0.946 695 3HG1 VAL 91 3HG1 VAL 91 11.584 9.533 -1.695 696 1HG2 VAL 91 1HG2 VAL 91 10.843 10.942 -4.443 697 2HG2 VAL 91 2HG2 VAL 91 12.510 10.701 -3.918 698 3HG2 VAL 91 3HG2 VAL 91 11.923 12.326 -4.274 699 H VAL 92 H VAL 92 9.220 12.704 -4.710 700 HA VAL 92 HA VAL 92 6.672 11.354 -4.108 701 HB VAL 92 HB VAL 92 7.491 12.961 -6.540 702 1HG1 VAL 92 1HG1 VAL 92 5.763 11.343 -7.083 703 2HG1 VAL 92 2HG1 VAL 92 5.015 12.936 -6.961 704 3HG1 VAL 92 3HG1 VAL 92 4.848 11.778 -5.640 705 1HG2 VAL 92 1HG2 VAL 92 7.351 14.467 -4.692 706 2HG2 VAL 92 2HG2 VAL 92 5.943 13.636 -4.029 707 3HG2 VAL 92 3HG2 VAL 92 5.792 14.584 -5.509 708 H VAL 93 H VAL 93 6.165 9.419 -4.961 709 HA VAL 93 HA VAL 93 8.130 8.192 -6.801 710 HB VAL 93 HB VAL 93 6.278 6.828 -4.832 711 1HG1 VAL 93 1HG1 VAL 93 6.741 5.401 -6.732 712 2HG1 VAL 93 2HG1 VAL 93 7.742 4.853 -5.388 713 3HG1 VAL 93 3HG1 VAL 93 8.455 5.815 -6.682 714 1HG2 VAL 93 1HG2 VAL 93 9.293 7.098 -4.721 715 2HG2 VAL 93 2HG2 VAL 93 8.223 6.473 -3.467 716 3HG2 VAL 93 3HG2 VAL 93 8.204 8.190 -3.866 717 H TYR 94 H TYR 94 7.434 7.402 -8.711 718 HA TYR 94 HA TYR 94 4.624 7.847 -9.406 719 1HB TYR 94 2HB TYR 94 7.057 7.198 -11.084 720 2HB TYR 94 1HB TYR 94 5.429 7.398 -11.735 721 HD1 TYR 94 1HD TYR 94 8.440 9.070 -11.089 722 HD2 TYR 94 2HD TYR 94 4.186 9.611 -10.827 723 HE1 TYR 94 1HE TYR 94 8.752 11.531 -11.099 724 HE2 TYR 94 2HE TYR 94 4.498 12.071 -10.834 725 HH TYR 94 HH TYR 94 7.376 13.554 -11.721 726 HA PRO 95 HA PRO 95 3.293 3.680 -9.303 727 1HB PRO 95 2HB PRO 95 2.316 4.006 -12.097 728 2HB PRO 95 1HB PRO 95 1.425 3.542 -10.635 729 1HG PRO 95 2HG PRO 95 1.146 5.954 -11.712 730 2HG PRO 95 1HG PRO 95 1.136 5.717 -9.957 731 1HD PRO 95 2HD PRO 95 3.304 6.836 -11.695 732 2HD PRO 95 1HD PRO 95 2.839 7.286 -10.040 733 H CYS 96 H CYS 96 3.576 1.548 -10.302 734 HA CYS 96 HA CYS 96 5.090 -0.034 -11.063 735 1HB CYS 96 2HB CYS 96 5.168 -0.132 -13.439 736 2HB CYS 96 1HB CYS 96 3.624 0.622 -13.042 737 HG CYS 96 HG CYS 96 6.032 2.489 -13.683 738 H GLU 97 H GLU 97 6.260 2.462 -9.885 739 HA GLU 97 HA GLU 97 8.974 2.054 -10.930 740 1HB GLU 97 2HB GLU 97 7.526 4.690 -10.741 741 2HB GLU 97 1HB GLU 97 9.287 4.602 -10.664 742 1HG GLU 97 2HG GLU 97 7.675 3.330 -12.887 743 2HG GLU 97 1HG GLU 97 8.316 4.970 -12.988 744 H THR 98 H THR 98 10.422 1.831 -9.337 745 HA THR 98 HA THR 98 9.604 2.629 -6.608 746 HB THR 98 HB THR 98 11.725 0.579 -7.079 747 HG1 THR 98 1HG THR 98 10.368 -0.690 -8.015 748 1HG2 THR 98 1HG2 THR 98 9.609 1.168 -5.008 749 2HG2 THR 98 2HG2 THR 98 11.361 1.147 -4.805 750 3HG2 THR 98 3HG2 THR 98 10.483 -0.364 -5.035 751 H GLU 99 H GLU 99 10.735 4.236 -5.739 752 HA GLU 99 HA GLU 99 13.432 4.800 -6.813 753 1HB GLU 99 2HB GLU 99 11.469 6.701 -5.510 754 2HB GLU 99 1HB GLU 99 13.057 7.130 -6.147 755 1HG GLU 99 2HG GLU 99 12.336 6.341 -8.395 756 2HG GLU 99 1HG GLU 99 10.731 6.015 -7.742 757 H MET 100 H MET 100 14.986 5.701 -5.282 758 HA MET 100 HA MET 100 14.930 4.256 -2.771 759 1HB MET 100 2HB MET 100 17.007 6.215 -3.774 760 2HB MET 100 1HB MET 100 17.207 5.005 -2.506 761 1HG MET 100 2HG MET 100 16.652 4.438 -5.434 762 2HG MET 100 1HG MET 100 18.187 4.191 -4.602 763 1HE MET 100 1HE MET 100 18.472 3.026 -2.589 764 2HE MET 100 2HE MET 100 17.820 1.422 -2.258 765 3HE MET 100 3HE MET 100 17.003 2.846 -1.619 766 H PHE 101 H PHE 101 15.060 5.189 -0.702 767 HA PHE 101 HA PHE 101 13.990 7.942 -0.565 768 1HB PHE 101 2HB PHE 101 12.479 6.178 0.304 769 2HB PHE 101 1HB PHE 101 13.723 5.711 1.464 770 HD1 PHE 101 1HD PHE 101 12.715 9.115 0.288 771 HD2 PHE 101 2HD PHE 101 12.836 6.334 3.560 772 HE1 PHE 101 1HE PHE 101 11.876 10.878 1.817 773 HE2 PHE 101 2HE PHE 101 12.025 8.105 5.094 774 HZ PHE 101 HZ PHE 101 11.534 10.374 4.221 775 H ILE 102 H ILE 102 15.012 6.395 2.319 776 HA ILE 102 HA ILE 102 17.530 7.944 2.318 777 HB ILE 102 HB ILE 102 17.160 8.551 4.628 778 1HG1 ILE 102 2HG1 ILE 102 14.749 7.953 5.508 779 2HG1 ILE 102 1HG1 ILE 102 14.860 6.638 4.338 780 1HG2 ILE 102 1HG2 ILE 102 15.097 9.930 4.376 781 2HG2 ILE 102 2HG2 ILE 102 14.700 9.025 2.915 782 3HG2 ILE 102 3HG2 ILE 102 16.148 10.031 2.965 783 1HD1 ILE 102 1HD1 ILE 102 15.934 6.663 6.930 784 2HD1 ILE 102 2HD1 ILE 102 17.320 6.880 5.861 785 3HD1 ILE 102 3HD1 ILE 102 16.266 5.480 5.665 786 H GLU 103 H GLU 103 19.193 7.113 3.727 787 HA GLU 103 HA GLU 103 18.839 4.289 4.509 788 1HB GLU 103 2HB GLU 103 19.978 4.261 2.361 789 2HB GLU 103 1HB GLU 103 21.157 5.440 2.938 790 1HG GLU 103 2HG GLU 103 21.978 3.870 4.607 791 2HG GLU 103 1HG GLU 103 20.727 2.706 4.172 792 H GLY 104 H GLY 104 20.253 3.569 6.176 793 1HA GLY 104 2HA GLY 104 22.207 4.193 7.615 794 2HA GLY 104 1HA GLY 104 21.445 5.776 7.752 795 H ARG 105 H ARG 105 21.537 5.368 10.082 796 HA ARG 105 HA ARG 105 19.693 3.338 11.108 797 1HB ARG 105 2HB ARG 105 21.956 3.750 12.150 798 2HB ARG 105 1HB ARG 105 21.352 5.320 12.678 799 1HG ARG 105 2HG ARG 105 19.496 4.182 13.874 800 2HG ARG 105 1HG ARG 105 20.161 2.623 13.390 801 1HD ARG 105 2HD ARG 105 22.291 3.223 14.549 802 2HD ARG 105 1HD ARG 105 21.529 4.708 15.113 803 HE ARG 105 HE ARG 105 19.860 2.614 15.885 804 1HH1 ARG 105 1HH2 ARG 105 23.108 3.690 16.400 805 2HH1 ARG 105 2HH2 ARG 105 23.219 3.032 17.999 806 1HH2 ARG 105 1HH1 ARG 105 19.998 1.749 17.980 807 2HH2 ARG 105 2HH1 ARG 105 21.458 1.933 18.893 808 H VAL 106 H VAL 106 17.789 3.788 12.150 809 HA VAL 106 HA VAL 106 16.936 6.621 12.171 810 HB VAL 106 HB VAL 106 15.061 4.304 11.726 811 1HG1 VAL 106 1HG1 VAL 106 14.824 7.177 10.823 812 2HG1 VAL 106 2HG1 VAL 106 14.324 6.672 12.438 813 3HG1 VAL 106 3HG1 VAL 106 13.541 5.980 11.017 814 1HG2 VAL 106 1HG2 VAL 106 16.537 4.099 9.877 815 2HG2 VAL 106 2HG2 VAL 106 16.741 5.845 9.743 816 3HG2 VAL 106 3HG2 VAL 106 15.215 5.096 9.271 817 H ASN 107 H ASN 107 16.087 7.368 14.022 818 HA ASN 107 HA ASN 107 15.260 5.436 16.090 819 1HB ASN 107 2HB ASN 107 16.693 7.880 16.990 820 2HB ASN 107 1HB ASN 107 16.671 6.263 17.692 821 1HD2 ASN 107 1HD2 ASN 107 18.746 8.366 16.219 822 2HD2 ASN 107 2HD2 ASN 107 19.795 7.260 15.471 823 H GLY 108 H GLY 108 13.253 5.880 16.722 824 1HA GLY 108 2HA GLY 108 11.244 7.015 16.923 825 2HA GLY 108 1HA GLY 108 12.248 8.204 17.746 826 H PHE 109 H PHE 109 10.489 7.449 14.877 827 HA PHE 109 HA PHE 109 11.004 10.167 13.870 828 1HB PHE 109 2HB PHE 109 11.207 9.305 11.570 829 2HB PHE 109 1HB PHE 109 12.488 8.674 12.606 830 HD1 PHE 109 1HD PHE 109 9.578 7.857 10.581 831 HD2 PHE 109 2HD PHE 109 12.298 6.351 13.546 832 HE1 PHE 109 1HE PHE 109 8.833 5.543 10.089 833 HE2 PHE 109 2HE PHE 109 11.557 4.036 13.049 834 HZ PHE 109 HZ PHE 109 9.823 3.632 11.323 835 H LYS 110 H LYS 110 9.352 10.965 12.448 836 HA LYS 110 HA LYS 110 6.760 9.591 12.818 837 1HB LYS 110 2HB LYS 110 6.912 11.824 13.865 838 2HB LYS 110 1HB LYS 110 7.311 12.524 12.296 839 1HG LYS 110 2HG LYS 110 5.165 11.883 11.387 840 2HG LYS 110 1HG LYS 110 4.775 10.957 12.837 841 1HD LYS 110 2HD LYS 110 3.632 13.110 12.932 842 2HD LYS 110 1HD LYS 110 4.890 13.067 14.167 843 1HE LYS 110 2HE LYS 110 6.304 14.501 12.963 844 2HE LYS 110 1HE LYS 110 5.489 14.173 11.433 845 1HZ LYS 110 1HZ LYS 110 4.167 15.540 13.705 846 2HZ LYS 110 2HZ LYS 110 3.625 15.429 12.099 847 3HZ LYS 110 3HZ LYS 110 4.983 16.377 12.476 848 H SER 111 H SER 111 5.744 8.842 11.069 849 HA SER 111 HA SER 111 6.811 9.598 8.423 850 1HB SER 111 2HB SER 111 5.192 7.150 9.147 851 2HB SER 111 1HB SER 111 6.025 7.462 7.626 852 HG SER 111 HG SER 111 7.068 6.857 10.168 853 H LYS 112 H LYS 112 5.527 10.485 6.912 854 HA LYS 112 HA LYS 112 2.612 10.449 7.289 855 1HB LYS 112 2HB LYS 112 3.591 12.572 8.271 856 2HB LYS 112 1HB LYS 112 4.107 12.994 6.638 857 1HG LYS 112 2HG LYS 112 2.031 14.023 6.682 858 2HG LYS 112 1HG LYS 112 1.577 12.437 6.059 859 1HD LYS 112 2HD LYS 112 0.048 12.647 7.789 860 2HD LYS 112 1HD LYS 112 1.374 11.852 8.638 861 1HE LYS 112 2HE LYS 112 2.208 14.043 9.400 862 2HE LYS 112 1HE LYS 112 0.888 14.845 8.546 863 1HZ LYS 112 1HZ LYS 112 -0.689 13.642 9.921 864 2HZ LYS 112 2HZ LYS 112 0.376 14.547 10.888 865 3HZ LYS 112 3HZ LYS 112 0.578 12.866 10.740 866 H MET 113 H MET 113 1.647 9.885 5.442 867 HA MET 113 HA MET 113 2.969 10.556 2.890 868 1HB MET 113 2HB MET 113 1.703 7.883 3.530 869 2HB MET 113 1HB MET 113 2.490 8.341 2.019 870 1HG MET 113 2HG MET 113 4.221 7.223 3.105 871 2HG MET 113 1HG MET 113 4.531 8.889 3.593 872 1HE MET 113 1HE MET 113 4.070 5.251 5.146 873 2HE MET 113 2HE MET 113 2.714 5.770 4.148 874 3HE MET 113 3HE MET 113 2.488 5.546 5.882 875 H ASP 114 H ASP 114 1.414 10.064 1.014 876 HA ASP 114 HA ASP 114 -1.404 10.176 1.532 877 1HB ASP 114 2HB ASP 114 -0.464 12.553 2.014 878 2HB ASP 114 1HB ASP 114 -0.303 12.668 0.262 879 H ALA 115 H ALA 115 -2.612 10.630 -0.582 880 HA ALA 115 HA ALA 115 -1.010 9.679 -2.881 881 1HB ALA 115 1HB ALA 115 -2.546 7.938 -1.780 882 2HB ALA 115 2HB ALA 115 -2.705 8.164 -3.522 883 3HB ALA 115 3HB ALA 115 -3.883 8.889 -2.426 884 H LEU 116 H LEU 116 -0.838 11.676 -3.858 885 HA LEU 116 HA LEU 116 -3.301 13.180 -4.405 886 1HB LEU 116 2HB LEU 116 -0.582 14.078 -5.283 887 2HB LEU 116 1HB LEU 116 -1.967 15.042 -4.769 888 HG LEU 116 HG LEU 116 -0.278 13.281 -2.964 889 1HD1 LEU 116 1HD1 LEU 116 0.866 15.351 -3.709 890 2HD1 LEU 116 2HD1 LEU 116 0.474 15.409 -1.990 891 3HD1 LEU 116 3HD1 LEU 116 -0.510 16.302 -3.149 892 1HD2 LEU 116 1HD2 LEU 116 -2.677 15.065 -2.463 893 2HD2 LEU 116 2HD2 LEU 116 -1.621 14.485 -1.175 894 3HD2 LEU 116 3HD2 LEU 116 -2.542 13.336 -2.144 895 HA PRO 117 HA PRO 117 -3.823 11.880 -8.579 896 1HB PRO 117 2HB PRO 117 -3.873 14.789 -9.261 897 2HB PRO 117 1HB PRO 117 -5.050 13.519 -9.645 898 1HG PRO 117 2HG PRO 117 -5.527 15.316 -7.747 899 2HG PRO 117 1HG PRO 117 -6.046 13.631 -7.577 900 1HD PRO 117 2HD PRO 117 -3.795 15.052 -6.222 901 2HD PRO 117 1HD PRO 117 -4.816 13.724 -5.627 902 H LEU 118 H LEU 118 -2.794 11.951 -10.706 903 HA LEU 118 HA LEU 118 0.058 12.508 -10.504 904 1HB LEU 118 2HB LEU 118 -1.584 11.250 -12.715 905 2HB LEU 118 1HB LEU 118 0.176 11.377 -12.706 906 HG LEU 118 HG LEU 118 -1.236 10.113 -10.373 907 1HD1 LEU 118 1HD1 LEU 118 -2.115 9.004 -12.410 908 2HD1 LEU 118 2HD1 LEU 118 -1.067 7.928 -11.485 909 3HD1 LEU 118 3HD1 LEU 118 -0.462 8.707 -12.947 910 1HD2 LEU 118 1HD2 LEU 118 1.271 10.710 -10.500 911 2HD2 LEU 118 2HD2 LEU 118 1.398 9.401 -11.675 912 3HD2 LEU 118 3HD2 LEU 118 0.868 9.060 -10.027 913 H SER 119 H SER 119 0.971 14.319 -11.212 914 HA SER 119 HA SER 119 -0.609 16.277 -12.657 915 1HB SER 119 2HB SER 119 2.083 16.250 -11.343 916 2HB SER 119 1HB SER 119 1.703 17.515 -12.509 917 HG SER 119 HG SER 119 -0.235 17.872 -11.239 918 H GLU 120 H GLU 120 0.791 17.536 -14.401 919 HA GLU 120 HA GLU 120 0.958 15.898 -16.672 920 1HB GLU 120 2HB GLU 120 0.626 18.304 -16.856 921 2HB GLU 120 1HB GLU 120 2.213 18.603 -16.148 922 1HG GLU 120 2HG GLU 120 2.332 18.792 -18.591 923 2HG GLU 120 1HG GLU 120 3.272 17.405 -18.041 924 H GLU 121 H GLU 121 3.329 16.751 -14.253 925 HA GLU 121 HA GLU 121 5.700 16.147 -15.603 926 1HB GLU 121 2HB GLU 121 4.993 15.741 -12.687 927 2HB GLU 121 1HB GLU 121 6.628 15.671 -13.344 928 1HG GLU 121 2HG GLU 121 6.364 17.994 -14.187 929 2HG GLU 121 1HG GLU 121 4.765 18.060 -13.450 930 H TYR 122 H TYR 122 3.379 14.034 -13.981 931 HA TYR 122 HA TYR 122 4.899 11.654 -14.091 932 1HB TYR 122 2HB TYR 122 3.010 11.633 -12.666 933 2HB TYR 122 1HB TYR 122 1.937 12.199 -13.947 934 HD1 TYR 122 1HD TYR 122 4.309 9.374 -13.242 935 HD2 TYR 122 2HD TYR 122 0.627 10.628 -15.065 936 HE1 TYR 122 1HE TYR 122 3.844 7.033 -13.916 937 HE2 TYR 122 2HE TYR 122 0.154 8.284 -15.723 938 HH TYR 122 HH TYR 122 2.249 5.998 -15.995 939 H ARG 123 H ARG 123 2.499 13.038 -16.321 940 HA ARG 123 HA ARG 123 2.405 10.960 -18.183 941 1HB ARG 123 2HB ARG 123 2.167 13.944 -18.641 942 2HB ARG 123 1HB ARG 123 1.695 12.703 -19.802 943 1HG ARG 123 2HG ARG 123 0.181 11.751 -17.995 944 2HG ARG 123 1HG ARG 123 0.509 13.213 -17.065 945 1HD ARG 123 2HD ARG 123 -0.271 14.551 -19.057 946 2HD ARG 123 1HD ARG 123 -0.779 13.037 -19.800 947 HE ARG 123 HE ARG 123 -1.859 13.416 -17.151 948 1HH1 ARG 123 1HH2 ARG 123 -2.183 14.124 -20.523 949 2HH1 ARG 123 2HH2 ARG 123 -3.893 14.387 -20.445 950 1HH2 ARG 123 1HH1 ARG 123 -4.101 13.759 -17.040 951 2HH2 ARG 123 2HH1 ARG 123 -4.979 14.180 -18.472 952 H GLN 124 H GLN 124 4.639 13.699 -17.928 953 HA GLN 124 HA GLN 124 6.092 13.096 -20.308 954 1HB GLN 124 2HB GLN 124 6.080 15.328 -19.185 955 2HB GLN 124 1HB GLN 124 7.038 14.631 -17.877 956 1HG GLN 124 2HG GLN 124 8.809 14.032 -19.472 957 2HG GLN 124 1HG GLN 124 7.850 14.686 -20.798 958 1HE2 GLN 124 1HE2 GLN 124 10.319 15.843 -20.497 959 2HE2 GLN 124 2HE2 GLN 124 10.187 17.381 -19.790 960 H HIS 125 H HIS 125 6.427 12.195 -16.915 961 HA HIS 125 HA HIS 125 8.985 11.048 -17.010 962 1HB HIS 125 2HB HIS 125 8.020 11.364 -14.869 963 2HB HIS 125 1HB HIS 125 6.561 10.476 -15.307 964 HD1 HIS 125 1HD HIS 125 10.091 10.004 -14.188 965 HD2 HIS 125 2HD HIS 125 6.870 7.623 -15.344 966 HE1 HIS 125 1HE HIS 125 10.678 7.631 -13.524 967 HE2 HIS 125 2HE HIS 125 8.732 6.165 -14.238 968 H GLN 126 H GLN 126 5.837 9.798 -17.949 969 HA GLN 126 HA GLN 126 6.406 7.081 -18.179 970 1HB GLN 126 2HB GLN 126 4.620 8.835 -19.878 971 2HB GLN 126 1HB GLN 126 4.626 7.072 -19.938 972 1HG GLN 126 2HG GLN 126 3.974 6.930 -17.608 973 2HG GLN 126 1HG GLN 126 4.139 8.674 -17.412 974 1HE2 GLN 126 1HE2 GLN 126 1.658 7.282 -16.899 975 2HE2 GLN 126 2HE2 GLN 126 0.524 7.808 -18.048 976 H ALA 127 H ALA 127 7.119 9.750 -20.374 977 HA ALA 127 HA ALA 127 8.019 8.173 -22.556 978 1HB ALA 127 1HB ALA 127 8.849 10.196 -23.475 979 2HB ALA 127 2HB ALA 127 9.018 10.940 -21.885 980 3HB ALA 127 3HB ALA 127 7.413 10.659 -22.561 981 H GLU 128 H GLU 128 9.828 9.925 -20.024 982 HA GLU 128 HA GLU 128 12.359 8.848 -20.759 983 1HB GLU 128 2HB GLU 128 11.382 10.127 -18.197 984 2HB GLU 128 1HB GLU 128 13.065 9.697 -18.504 985 1HG GLU 128 2HG GLU 128 11.428 11.521 -20.287 986 2HG GLU 128 1HG GLU 128 12.530 12.093 -19.036 987 H LYS 129 H LYS 129 9.719 7.676 -18.858 988 HA LYS 129 HA LYS 129 10.882 5.942 -17.064 989 1HB LYS 129 2HB LYS 129 8.412 6.353 -17.407 990 2HB LYS 129 1HB LYS 129 8.487 5.227 -18.764 991 1HG LYS 129 2HG LYS 129 9.329 3.462 -17.266 992 2HG LYS 129 1HG LYS 129 9.275 4.584 -15.906 993 1HD LYS 129 2HD LYS 129 7.266 3.206 -15.873 994 2HD LYS 129 1HD LYS 129 6.820 4.862 -16.288 995 1HE LYS 129 2HE LYS 129 6.386 4.335 -18.511 996 2HE LYS 129 1HE LYS 129 7.470 2.944 -18.499 997 1HZ LYS 129 1HZ LYS 129 4.771 3.161 -17.303 998 2HZ LYS 129 2HZ LYS 129 5.848 1.912 -16.896 999 3HZ LYS 129 3HZ LYS 129 5.302 2.079 -18.496 1000 H ASP 130 H ASP 130 10.278 5.403 -20.521 1001 HA ASP 130 HA ASP 130 11.457 2.760 -20.460 1002 1HB ASP 130 2HB ASP 130 9.614 3.364 -22.019 1003 2HB ASP 130 1HB ASP 130 10.710 4.477 -22.837 1004 H LYS 131 H LYS 131 13.577 2.421 -20.426 1005 HA LYS 131 HA LYS 131 15.357 3.809 -22.211 1006 1HB LYS 131 2HB LYS 131 16.793 4.813 -20.525 1007 2HB LYS 131 1HB LYS 131 15.157 5.452 -20.351 1008 1HG LYS 131 2HG LYS 131 14.741 3.707 -18.586 1009 2HG LYS 131 1HG LYS 131 16.449 3.277 -18.682 1010 1HD LYS 131 2HD LYS 131 16.965 5.729 -18.221 1011 2HD LYS 131 1HD LYS 131 15.255 5.922 -17.829 1012 1HE LYS 131 2HE LYS 131 16.334 5.485 -15.748 1013 2HE LYS 131 1HE LYS 131 15.555 3.969 -16.203 1014 1HZ LYS 131 1HZ LYS 131 17.513 2.956 -16.466 1015 2HZ LYS 131 2HZ LYS 131 18.156 4.237 -15.554 1016 3HZ LYS 131 3HZ LYS 131 18.220 4.283 -17.251 Start of MODEL 7 1 H MET 1 1H MET 1 -0.806 -2.488 19.066 2 HA MET 1 HA MET 1 -1.811 -4.425 17.250 3 1HB MET 1 2HB MET 1 0.846 -4.980 18.605 4 2HB MET 1 1HB MET 1 -0.191 -6.218 17.894 5 1HG MET 1 2HG MET 1 -0.062 -4.980 15.711 6 2HG MET 1 1HG MET 1 1.118 -3.897 16.449 7 1HE MET 1 1HE MET 1 2.840 -6.223 18.366 8 2HE MET 1 2HE MET 1 2.993 -4.593 17.715 9 3HE MET 1 3HE MET 1 4.135 -5.840 17.222 10 H GLY 2 H GLY 2 -0.811 -3.182 20.326 11 1HA GLY 2 2HA GLY 2 -1.728 -5.134 22.093 12 2HA GLY 2 1HA GLY 2 -1.701 -3.406 22.437 13 H CYS 3 H CYS 3 -3.504 -2.626 20.351 14 HA CYS 3 HA CYS 3 -5.974 -2.893 21.688 15 1HB CYS 3 2HB CYS 3 -5.364 -2.047 18.847 16 2HB CYS 3 1HB CYS 3 -6.934 -1.868 19.628 17 HG CYS 3 HG CYS 3 -5.748 -0.283 21.407 18 H GLY 4 H GLY 4 -4.564 -4.608 18.940 19 1HA GLY 4 2HA GLY 4 -5.448 -7.063 19.108 20 2HA GLY 4 1HA GLY 4 -6.969 -6.278 18.697 21 H ALA 5 H ALA 5 -4.750 -8.099 17.341 22 HA ALA 5 HA ALA 5 -3.879 -6.715 15.036 23 1HB ALA 5 1HB ALA 5 -4.412 -9.679 15.344 24 2HB ALA 5 2HB ALA 5 -2.920 -8.869 15.818 25 3HB ALA 5 3HB ALA 5 -3.395 -8.919 14.121 26 H SER 6 H SER 6 -4.705 -6.625 12.950 27 HA SER 6 HA SER 6 -7.565 -7.339 12.695 28 1HB SER 6 2HB SER 6 -6.075 -5.065 11.365 29 2HB SER 6 1HB SER 6 -7.782 -5.444 11.156 30 HG SER 6 HG SER 6 -6.527 -4.102 13.151 31 H SER 7 H SER 7 -8.271 -8.230 10.751 32 HA SER 7 HA SER 7 -6.451 -9.916 9.396 33 1HB SER 7 2HB SER 7 -8.317 -10.494 7.974 34 2HB SER 7 1HB SER 7 -8.913 -10.319 9.623 35 HG SER 7 HG SER 7 -9.572 -8.202 9.064 36 H GLU 8 H GLU 8 -7.458 -6.641 8.864 37 HA GLU 8 HA GLU 8 -6.860 -6.401 6.113 38 1HB GLU 8 2HB GLU 8 -6.772 -4.343 8.331 39 2HB GLU 8 1HB GLU 8 -6.661 -3.966 6.611 40 1HG GLU 8 2HG GLU 8 -8.865 -5.059 6.252 41 2HG GLU 8 1HG GLU 8 -8.982 -5.352 7.987 42 H ASN 9 H ASN 9 -4.868 -6.266 9.004 43 HA ASN 9 HA ASN 9 -2.502 -5.618 7.375 44 1HB ASN 9 2HB ASN 9 -2.931 -5.661 10.370 45 2HB ASN 9 1HB ASN 9 -1.385 -5.321 9.593 46 1HD2 ASN 9 1HD2 ASN 9 -2.642 -3.347 11.217 47 2HD2 ASN 9 2HD2 ASN 9 -3.154 -2.072 10.221 48 H SER 10 H SER 10 -3.876 -8.246 7.376 49 HA SER 10 HA SER 10 -2.556 -10.184 8.887 50 1HB SER 10 2HB SER 10 -4.557 -10.585 7.446 51 2HB SER 10 1HB SER 10 -3.513 -10.482 6.031 52 HG SER 10 HG SER 10 -3.130 -12.510 6.396 53 H SER 11 H SER 11 -1.732 -8.905 5.666 54 HA SER 11 HA SER 11 1.081 -9.256 6.146 55 1HB SER 11 2HB SER 11 -0.037 -10.912 3.894 56 2HB SER 11 1HB SER 11 1.572 -10.971 4.606 57 HG SER 11 HG SER 11 -0.222 -12.582 5.218 58 H VAL 12 H VAL 12 1.470 -9.612 3.174 59 HA VAL 12 HA VAL 12 0.624 -6.909 2.321 60 HB VAL 12 HB VAL 12 3.236 -8.237 1.580 61 1HG1 VAL 12 1HG1 VAL 12 2.442 -5.322 1.448 62 2HG1 VAL 12 2HG1 VAL 12 2.165 -6.432 0.106 63 3HG1 VAL 12 3HG1 VAL 12 3.808 -6.112 0.662 64 1HG2 VAL 12 1HG2 VAL 12 3.335 -7.832 3.952 65 2HG2 VAL 12 2HG2 VAL 12 2.564 -6.255 3.773 66 3HG2 VAL 12 3HG2 VAL 12 4.203 -6.508 3.174 67 H THR 13 H THR 13 -0.179 -6.716 0.284 68 HA THR 13 HA THR 13 -0.030 -9.058 -1.501 69 HB THR 13 HB THR 13 -2.205 -9.034 -0.220 70 HG1 THR 13 1HG THR 13 -1.761 -9.665 -2.581 71 1HG2 THR 13 1HG2 THR 13 -2.299 -6.477 -0.257 72 2HG2 THR 13 2HG2 THR 13 -3.806 -7.318 -0.624 73 3HG2 THR 13 3HG2 THR 13 -2.843 -6.625 -1.929 74 H TYR 14 H TYR 14 -0.279 -8.581 -3.725 75 HA TYR 14 HA TYR 14 -0.092 -5.710 -4.410 76 1HB TYR 14 2HB TYR 14 1.482 -7.984 -5.647 77 2HB TYR 14 1HB TYR 14 1.540 -6.294 -6.153 78 HD1 TYR 14 1HD TYR 14 2.716 -4.630 -4.857 79 HD2 TYR 14 2HD TYR 14 2.359 -8.666 -3.432 80 HE1 TYR 14 1HE TYR 14 4.422 -4.166 -3.117 81 HE2 TYR 14 2HE TYR 14 4.064 -8.203 -1.692 82 HH TYR 14 HH TYR 14 5.947 -6.609 -1.345 83 H VAL 15 H VAL 15 -0.754 -5.198 -6.609 84 HA VAL 15 HA VAL 15 -2.457 -7.221 -7.898 85 HB VAL 15 HB VAL 15 -4.217 -6.183 -6.875 86 1HG1 VAL 15 1HG1 VAL 15 -2.946 -4.746 -5.424 87 2HG1 VAL 15 2HG1 VAL 15 -4.134 -3.728 -6.239 88 3HG1 VAL 15 3HG1 VAL 15 -2.453 -3.723 -6.773 89 1HG2 VAL 15 1HG2 VAL 15 -3.701 -4.018 -8.923 90 2HG2 VAL 15 2HG2 VAL 15 -5.254 -4.647 -8.374 91 3HG2 VAL 15 3HG2 VAL 15 -4.208 -5.641 -9.388 92 H ASN 16 H ASN 16 -1.444 -3.804 -8.158 93 HA ASN 16 HA ASN 16 -1.580 -3.726 -10.988 94 1HB ASN 16 2HB ASN 16 0.055 -1.996 -9.120 95 2HB ASN 16 1HB ASN 16 -0.359 -1.618 -10.791 96 1HD2 ASN 16 1HD2 ASN 16 -1.242 -0.730 -7.781 97 2HD2 ASN 16 2HD2 ASN 16 -2.901 -0.457 -8.013 98 H GLY 17 H GLY 17 0.848 -4.824 -8.760 99 1HA GLY 17 2HA GLY 17 2.321 -6.399 -10.373 100 2HA GLY 17 1HA GLY 17 2.989 -4.807 -10.722 101 H ARG 18 H ARG 18 4.745 -6.518 -9.730 102 HA ARG 18 HA ARG 18 4.871 -6.128 -6.817 103 1HB ARG 18 2HB ARG 18 6.726 -7.782 -8.536 104 2HB ARG 18 1HB ARG 18 6.519 -7.859 -6.786 105 1HG ARG 18 2HG ARG 18 4.168 -8.340 -8.601 106 2HG ARG 18 1HG ARG 18 5.317 -9.640 -8.276 107 1HD ARG 18 2HD ARG 18 3.842 -8.049 -6.160 108 2HD ARG 18 1HD ARG 18 3.413 -9.673 -6.686 109 HE ARG 18 HE ARG 18 6.145 -9.352 -5.729 110 1HH1 ARG 18 1HH2 ARG 18 2.850 -10.161 -5.048 111 2HH1 ARG 18 2HH2 ARG 18 3.227 -11.098 -3.640 112 1HH2 ARG 18 1HH1 ARG 18 6.647 -10.579 -3.884 113 2HH2 ARG 18 2HH1 ARG 18 5.376 -11.335 -2.982 114 HA PRO 19 HA PRO 19 7.614 -2.692 -7.046 115 1HB PRO 19 2HB PRO 19 9.018 -4.131 -4.834 116 2HB PRO 19 1HB PRO 19 8.462 -2.449 -4.910 117 1HG PRO 19 2HG PRO 19 7.144 -4.298 -3.512 118 2HG PRO 19 1HG PRO 19 6.305 -2.994 -4.366 119 1HD PRO 19 2HD PRO 19 6.442 -5.888 -5.033 120 2HD PRO 19 1HD PRO 19 5.190 -4.693 -5.438 121 H THR 20 H THR 20 9.651 -2.185 -7.871 122 HA THR 20 HA THR 20 11.087 -4.365 -9.145 123 HB THR 20 HB THR 20 12.332 -2.624 -10.274 124 HG1 THR 20 1HG THR 20 12.726 -0.957 -9.070 125 1HG2 THR 20 1HG2 THR 20 10.090 -3.045 -11.135 126 2HG2 THR 20 2HG2 THR 20 10.446 -1.322 -11.255 127 3HG2 THR 20 3HG2 THR 20 9.401 -1.919 -9.966 128 H PHE 21 H PHE 21 11.140 -3.093 -6.121 129 HA PHE 21 HA PHE 21 14.006 -3.739 -5.780 130 1HB PHE 21 2HB PHE 21 13.590 -1.294 -5.572 131 2HB PHE 21 1HB PHE 21 12.463 -1.627 -4.257 132 HD1 PHE 21 1HD PHE 21 16.005 -2.113 -5.333 133 HD2 PHE 21 2HD PHE 21 13.239 -1.964 -2.050 134 HE1 PHE 21 1HE PHE 21 17.898 -2.210 -3.734 135 HE2 PHE 21 2HE PHE 21 15.132 -2.062 -0.451 136 HZ PHE 21 HZ PHE 21 17.462 -2.185 -1.292 137 H VAL 22 H VAL 22 14.509 -5.073 -4.107 138 HA VAL 22 HA VAL 22 12.317 -5.865 -2.288 139 HB VAL 22 HB VAL 22 14.354 -7.871 -3.176 140 1HG1 VAL 22 1HG1 VAL 22 11.403 -8.099 -2.522 141 2HG1 VAL 22 2HG1 VAL 22 12.689 -8.280 -1.329 142 3HG1 VAL 22 3HG1 VAL 22 12.563 -9.418 -2.670 143 1HG2 VAL 22 1HG2 VAL 22 13.562 -6.968 -5.288 144 2HG2 VAL 22 2HG2 VAL 22 11.891 -7.011 -4.724 145 3HG2 VAL 22 3HG2 VAL 22 12.761 -8.516 -5.014 146 H GLY 23 H GLY 23 12.839 -5.823 -0.189 147 1HA GLY 23 2HA GLY 23 15.707 -5.615 0.521 148 2HA GLY 23 1HA GLY 23 14.422 -4.771 1.381 149 H GLU 24 H GLU 24 13.435 -5.761 3.061 150 HA GLU 24 HA GLU 24 13.613 -8.664 3.361 151 1HB GLU 24 2HB GLU 24 15.676 -7.664 4.419 152 2HB GLU 24 1HB GLU 24 14.608 -6.832 5.550 153 1HG GLU 24 2HG GLU 24 15.307 -8.875 6.612 154 2HG GLU 24 1HG GLU 24 13.623 -9.086 6.135 155 H GLU 25 H GLU 25 12.799 -5.744 5.257 156 HA GLU 25 HA GLU 25 10.323 -7.056 6.136 157 1HB GLU 25 2HB GLU 25 11.809 -5.975 7.822 158 2HB GLU 25 1HB GLU 25 11.518 -4.424 7.034 159 1HG GLU 25 2HG GLU 25 9.087 -4.693 7.428 160 2HG GLU 25 1HG GLU 25 9.400 -6.219 8.253 161 H VAL 26 H VAL 26 8.421 -6.583 5.245 162 HA VAL 26 HA VAL 26 8.214 -4.121 3.616 163 HB VAL 26 HB VAL 26 6.544 -6.604 3.232 164 1HG1 VAL 26 1HG1 VAL 26 7.273 -4.242 1.472 165 2HG1 VAL 26 2HG1 VAL 26 5.705 -4.535 2.223 166 3HG1 VAL 26 3HG1 VAL 26 6.294 -5.617 0.960 167 1HG2 VAL 26 1HG2 VAL 26 8.824 -7.339 2.936 168 2HG2 VAL 26 2HG2 VAL 26 9.234 -5.881 2.033 169 3HG2 VAL 26 3HG2 VAL 26 8.151 -7.080 1.327 170 H THR 27 H THR 27 6.469 -2.801 3.902 171 HA THR 27 HA THR 27 4.323 -3.643 5.717 172 HB THR 27 HB THR 27 4.852 -1.030 6.520 173 HG1 THR 27 1HG THR 27 6.955 -0.825 6.689 174 1HG2 THR 27 1HG2 THR 27 4.075 -2.775 7.999 175 2HG2 THR 27 2HG2 THR 27 5.609 -2.176 8.632 176 3HG2 THR 27 3HG2 THR 27 5.554 -3.704 7.754 177 H LYS 28 H LYS 28 2.607 -1.861 5.823 178 HA LYS 28 HA LYS 28 2.438 -0.431 3.244 179 1HB LYS 28 2HB LYS 28 -0.108 -0.989 3.476 180 2HB LYS 28 1HB LYS 28 0.989 -2.204 2.817 181 1HG LYS 28 2HG LYS 28 0.675 -2.182 5.772 182 2HG LYS 28 1HG LYS 28 -0.720 -2.729 4.842 183 1HD LYS 28 2HD LYS 28 0.702 -4.359 3.657 184 2HD LYS 28 1HD LYS 28 2.101 -3.812 4.581 185 1HE LYS 28 2HE LYS 28 -0.375 -5.200 5.630 186 2HE LYS 28 1HE LYS 28 1.291 -5.777 5.690 187 1HZ LYS 28 1HZ LYS 28 0.082 -3.530 7.190 188 2HZ LYS 28 2HZ LYS 28 1.764 -3.722 7.046 189 3HZ LYS 28 3HZ LYS 28 0.832 -4.920 7.809 190 H GLY 29 H GLY 29 2.534 1.655 3.808 191 1HA GLY 29 2HA GLY 29 2.057 2.892 6.184 192 2HA GLY 29 1HA GLY 29 1.745 3.671 4.636 193 H PHE 30 H PHE 30 -0.401 3.085 3.611 194 HA PHE 30 HA PHE 30 -2.491 3.493 5.573 195 1HB PHE 30 2HB PHE 30 -2.487 3.321 2.557 196 2HB PHE 30 1HB PHE 30 -3.957 3.546 3.507 197 HD1 PHE 30 1HD PHE 30 -1.404 5.235 1.794 198 HD2 PHE 30 2HD PHE 30 -3.729 5.442 5.399 199 HE1 PHE 30 1HE PHE 30 -0.926 7.662 1.963 200 HE2 PHE 30 2HE PHE 30 -3.251 7.869 5.569 201 HZ PHE 30 HZ PHE 30 -1.849 8.980 3.850 202 H GLU 31 H GLU 31 -3.685 1.950 6.474 203 HA GLU 31 HA GLU 31 -3.333 -0.810 5.771 204 1HB GLU 31 2HB GLU 31 -5.257 0.547 7.673 205 2HB GLU 31 1HB GLU 31 -5.052 -1.199 7.533 206 1HG GLU 31 2HG GLU 31 -3.642 -0.564 9.335 207 2HG GLU 31 1HG GLU 31 -2.558 -0.781 7.963 208 H LYS 32 H LYS 32 -5.636 1.685 4.995 209 HA LYS 32 HA LYS 32 -7.798 0.054 4.177 210 1HB LYS 32 2HB LYS 32 -7.749 2.600 4.569 211 2HB LYS 32 1HB LYS 32 -7.122 2.709 2.923 212 1HG LYS 32 2HG LYS 32 -9.090 1.446 2.101 213 2HG LYS 32 1HG LYS 32 -9.726 1.388 3.747 214 1HD LYS 32 2HD LYS 32 -9.650 3.913 3.772 215 2HD LYS 32 1HD LYS 32 -9.254 3.856 2.054 216 1HE LYS 32 2HE LYS 32 -11.347 2.534 1.670 217 2HE LYS 32 1HE LYS 32 -11.759 2.765 3.369 218 1HZ LYS 32 1HZ LYS 32 -11.603 5.188 2.971 219 2HZ LYS 32 2HZ LYS 32 -12.848 4.437 2.091 220 3HZ LYS 32 3HZ LYS 32 -11.400 4.877 1.316 221 H ASP 33 H ASP 33 -8.525 -0.302 1.955 222 HA ASP 33 HA ASP 33 -8.223 -1.200 -0.137 223 1HB ASP 33 2HB ASP 33 -5.873 0.709 -0.194 224 2HB ASP 33 1HB ASP 33 -6.605 -0.070 -1.596 225 H ASN 34 H ASN 34 -5.787 -1.644 -1.554 226 HA ASN 34 HA ASN 34 -4.950 -4.079 -0.240 227 1HB ASN 34 2HB ASN 34 -4.054 -2.796 -2.832 228 2HB ASN 34 1HB ASN 34 -3.580 -4.402 -2.281 229 1HD2 ASN 34 1HD2 ASN 34 -5.036 -4.044 -4.720 230 2HD2 ASN 34 2HD2 ASN 34 -6.583 -4.714 -4.519 231 H GLY 35 H GLY 35 -4.169 -1.072 0.468 232 1HA GLY 35 2HA GLY 35 -2.360 -0.744 2.079 233 2HA GLY 35 1HA GLY 35 -1.344 -1.741 1.043 234 H LEU 36 H LEU 36 -2.440 -0.451 -1.400 235 HA LEU 36 HA LEU 36 -1.892 1.272 -2.815 236 1HB LEU 36 2HB LEU 36 -1.719 3.016 -0.358 237 2HB LEU 36 1HB LEU 36 -2.138 3.492 -2.004 238 HG LEU 36 HG LEU 36 -3.774 1.677 -0.207 239 1HD1 LEU 36 1HD1 LEU 36 -5.352 3.496 -0.114 240 2HD1 LEU 36 2HD1 LEU 36 -4.436 4.423 -1.303 241 3HD1 LEU 36 3HD1 LEU 36 -3.772 4.157 0.310 242 1HD2 LEU 36 1HD2 LEU 36 -5.456 2.068 -2.141 243 2HD2 LEU 36 2HD2 LEU 36 -4.151 0.914 -2.414 244 3HD2 LEU 36 3HD2 LEU 36 -4.044 2.541 -3.088 245 H LEU 37 H LEU 37 -0.103 2.400 0.040 246 HA LEU 37 HA LEU 37 2.361 2.327 -1.571 247 1HB LEU 37 2HB LEU 37 1.742 4.494 -0.563 248 2HB LEU 37 1HB LEU 37 1.788 3.753 1.037 249 HG LEU 37 HG LEU 37 4.175 3.145 0.650 250 1HD1 LEU 37 1HD1 LEU 37 5.167 4.635 -1.315 251 2HD1 LEU 37 2HD1 LEU 37 3.545 4.437 -1.978 252 3HD1 LEU 37 3HD1 LEU 37 4.538 3.019 -1.637 253 1HD2 LEU 37 1HD2 LEU 37 3.332 6.044 0.439 254 2HD2 LEU 37 2HD2 LEU 37 5.017 5.569 0.659 255 3HD2 LEU 37 3HD2 LEU 37 3.818 5.158 1.885 256 H PHE 38 H PHE 38 3.863 0.837 -1.188 257 HA PHE 38 HA PHE 38 3.703 -0.703 1.327 258 1HB PHE 38 2HB PHE 38 4.971 -1.446 -1.321 259 2HB PHE 38 1HB PHE 38 4.911 -2.471 0.113 260 HD1 PHE 38 1HD PHE 38 3.185 -1.442 -2.855 261 HD2 PHE 38 2HD PHE 38 2.582 -3.002 1.102 262 HE1 PHE 38 1HE PHE 38 0.926 -2.230 -3.509 263 HE2 PHE 38 2HE PHE 38 0.324 -3.790 0.447 264 HZ PHE 38 HZ PHE 38 -0.504 -3.404 -1.858 265 H ARG 39 H ARG 39 5.267 -0.438 2.781 266 HA ARG 39 HA ARG 39 7.613 1.152 2.088 267 1HB ARG 39 2HB ARG 39 6.316 1.586 4.178 268 2HB ARG 39 1HB ARG 39 6.808 -0.002 4.768 269 1HG ARG 39 2HG ARG 39 9.162 0.639 4.637 270 2HG ARG 39 1HG ARG 39 8.724 2.201 3.944 271 1HD ARG 39 2HD ARG 39 9.114 2.557 6.291 272 2HD ARG 39 1HD ARG 39 7.374 2.646 6.033 273 HE ARG 39 HE ARG 39 7.989 -0.010 6.672 274 1HH1 ARG 39 1HH2 ARG 39 8.133 3.151 8.071 275 2HH1 ARG 39 2HH2 ARG 39 7.918 2.593 9.697 276 1HH2 ARG 39 1HH1 ARG 39 7.707 -0.750 8.802 277 2HH2 ARG 39 2HH1 ARG 39 7.678 0.384 10.111 278 H ILE 40 H ILE 40 9.361 0.170 1.319 279 HA ILE 40 HA ILE 40 9.914 -2.611 2.131 280 HB ILE 40 HB ILE 40 11.077 -1.041 -0.180 281 1HG1 ILE 40 2HG1 ILE 40 8.939 -3.191 -0.217 282 2HG1 ILE 40 1HG1 ILE 40 8.592 -1.465 -0.322 283 1HG2 ILE 40 1HG2 ILE 40 12.529 -2.852 0.535 284 2HG2 ILE 40 2HG2 ILE 40 11.710 -3.350 -0.946 285 3HG2 ILE 40 3HG2 ILE 40 11.164 -3.966 0.613 286 1HD1 ILE 40 1HD1 ILE 40 9.867 -1.268 -2.370 287 2HD1 ILE 40 2HD1 ILE 40 8.734 -2.605 -2.560 288 3HD1 ILE 40 3HD1 ILE 40 10.434 -2.933 -2.228 289 H VAL 41 H VAL 41 11.626 -3.064 3.375 290 HA VAL 41 HA VAL 41 13.722 -1.004 3.689 291 HB VAL 41 HB VAL 41 12.516 -2.661 5.919 292 1HG1 VAL 41 1HG1 VAL 41 14.727 -0.606 5.769 293 2HG1 VAL 41 2HG1 VAL 41 14.789 -2.228 6.457 294 3HG1 VAL 41 3HG1 VAL 41 13.886 -0.956 7.279 295 1HG2 VAL 41 1HG2 VAL 41 11.486 -0.619 6.676 296 2HG2 VAL 41 2HG2 VAL 41 11.065 -0.803 4.973 297 3HG2 VAL 41 3HG2 VAL 41 12.331 0.328 5.451 298 H ASN 42 H ASN 42 15.728 -1.757 3.433 299 HA ASN 42 HA ASN 42 16.118 -4.682 3.379 300 1HB ASN 42 2HB ASN 42 16.651 -3.064 1.371 301 2HB ASN 42 1HB ASN 42 18.122 -2.747 2.288 302 1HD2 ASN 42 1HD2 ASN 42 17.654 -4.319 -0.310 303 2HD2 ASN 42 2HD2 ASN 42 18.377 -5.827 -0.012 304 H LYS 43 H LYS 43 16.692 -5.267 5.410 305 HA LYS 43 HA LYS 43 18.066 -3.758 7.299 306 1HB LYS 43 2HB LYS 43 18.022 -6.758 6.901 307 2HB LYS 43 1HB LYS 43 18.641 -5.954 8.343 308 1HG LYS 43 2HG LYS 43 16.411 -4.854 8.627 309 2HG LYS 43 1HG LYS 43 15.810 -5.803 7.269 310 1HD LYS 43 2HD LYS 43 16.444 -7.884 8.497 311 2HD LYS 43 1HD LYS 43 16.903 -6.889 9.879 312 1HE LYS 43 2HE LYS 43 14.536 -5.919 9.779 313 2HE LYS 43 1HE LYS 43 14.153 -7.239 8.673 314 1HZ LYS 43 1HZ LYS 43 13.643 -7.783 10.990 315 2HZ LYS 43 2HZ LYS 43 15.278 -7.573 11.402 316 3HZ LYS 43 3HZ LYS 43 14.819 -8.821 10.344 317 H LYS 44 H LYS 44 19.275 -5.598 4.583 318 HA LYS 44 HA LYS 44 21.938 -5.957 5.251 319 1HB LYS 44 2HB LYS 44 20.731 -6.686 3.126 320 2HB LYS 44 1HB LYS 44 21.034 -5.059 2.515 321 1HG LYS 44 2HG LYS 44 23.499 -5.476 3.150 322 2HG LYS 44 1HG LYS 44 23.048 -7.177 3.271 323 1HD LYS 44 2HD LYS 44 22.825 -5.394 0.833 324 2HD LYS 44 1HD LYS 44 23.861 -6.808 1.030 325 1HE LYS 44 2HE LYS 44 21.699 -8.138 1.417 326 2HE LYS 44 1HE LYS 44 20.850 -6.723 0.795 327 1HZ LYS 44 1HZ LYS 44 22.971 -8.240 -0.626 328 2HZ LYS 44 2HZ LYS 44 22.172 -6.865 -1.225 329 3HZ LYS 44 3HZ LYS 44 21.310 -8.306 -0.963 330 H LYS 45 H LYS 45 20.877 -3.293 3.133 331 HA LYS 45 HA LYS 45 23.120 -1.678 4.106 332 1HB LYS 45 2HB LYS 45 21.156 -1.105 1.875 333 2HB LYS 45 1HB LYS 45 22.648 -0.227 2.214 334 1HG LYS 45 2HG LYS 45 22.514 -3.177 1.525 335 2HG LYS 45 1HG LYS 45 22.907 -1.899 0.373 336 1HD LYS 45 2HD LYS 45 24.724 -1.220 2.121 337 2HD LYS 45 1HD LYS 45 24.497 -2.854 2.744 338 1HE LYS 45 2HE LYS 45 25.209 -2.136 -0.117 339 2HE LYS 45 1HE LYS 45 26.314 -2.808 1.083 340 1HZ LYS 45 1HZ LYS 45 23.851 -4.118 0.064 341 2HZ LYS 45 2HZ LYS 45 24.897 -4.762 1.237 342 3HZ LYS 45 3HZ LYS 45 25.441 -4.533 -0.355 343 H LYS 46 H LYS 46 19.993 -2.202 4.990 344 HA LYS 46 HA LYS 46 18.470 -1.051 6.267 345 1HB LYS 46 2HB LYS 46 21.087 -0.172 7.082 346 2HB LYS 46 1HB LYS 46 19.941 1.163 7.208 347 1HG LYS 46 2HG LYS 46 19.298 -1.591 8.267 348 2HG LYS 46 1HG LYS 46 20.131 -0.387 9.250 349 1HD LYS 46 2HD LYS 46 18.251 1.204 8.815 350 2HD LYS 46 1HD LYS 46 17.402 -0.088 7.966 351 1HE LYS 46 2HE LYS 46 18.073 0.117 10.894 352 2HE LYS 46 1HE LYS 46 16.518 -0.232 10.137 353 1HZ LYS 46 1HZ LYS 46 17.554 -2.330 9.306 354 2HZ LYS 46 2HZ LYS 46 17.349 -2.256 10.991 355 3HZ LYS 46 3HZ LYS 46 18.885 -2.008 10.306 356 H GLN 47 H GLN 47 18.813 -0.339 3.440 357 HA GLN 47 HA GLN 47 18.247 2.543 3.425 358 1HB GLN 47 2HB GLN 47 18.444 2.373 0.994 359 2HB GLN 47 1HB GLN 47 19.856 1.653 1.769 360 1HG GLN 47 2HG GLN 47 18.576 -0.579 1.619 361 2HG GLN 47 1HG GLN 47 17.511 0.252 0.486 362 1HE2 GLN 47 1HE2 GLN 47 20.473 1.714 0.107 363 2HE2 GLN 47 2HE2 GLN 47 21.091 0.765 -1.157 364 H TRP 48 H TRP 48 16.241 3.322 3.242 365 HA TRP 48 HA TRP 48 14.013 1.468 3.098 366 1HB TRP 48 2HB TRP 48 14.215 4.450 3.519 367 2HB TRP 48 1HB TRP 48 12.670 3.613 3.371 368 HD1 TRP 48 HD TRP 48 15.312 1.567 5.018 369 HE1 TRP 48 1HE TRP 48 14.881 1.441 7.557 370 HE3 TRP 48 3HE TRP 48 11.700 5.147 5.480 371 HZ2 TRP 48 2HZ TRP 48 13.224 2.692 9.523 372 HZ3 TRP 48 3HZ TRP 48 10.713 5.659 7.694 373 HH2 TRP 48 HH TRP 48 11.470 4.437 9.715 374 H ALA 49 H ALA 49 12.517 1.317 1.469 375 HA ALA 49 HA ALA 49 12.863 3.022 -0.905 376 1HB ALA 49 1HB ALA 49 14.080 1.165 -1.644 377 2HB ALA 49 2HB ALA 49 12.457 0.830 -2.249 378 3HB ALA 49 3HB ALA 49 13.039 0.023 -0.793 379 H TYR 50 H TYR 50 10.983 3.391 -2.064 380 HA TYR 50 HA TYR 50 8.518 2.219 -0.923 381 1HB TYR 50 2HB TYR 50 9.114 5.060 -1.735 382 2HB TYR 50 1HB TYR 50 7.464 4.454 -1.603 383 HD1 TYR 50 1HD TYR 50 10.229 5.837 0.178 384 HD2 TYR 50 2HD TYR 50 6.835 3.241 0.616 385 HE1 TYR 50 1HE TYR 50 10.310 6.147 2.637 386 HE2 TYR 50 2HE TYR 50 6.916 3.551 3.076 387 HH TYR 50 HH TYR 50 7.957 5.642 4.631 388 H TYR 51 H TYR 51 6.976 1.535 -2.333 389 HA TYR 51 HA TYR 51 7.506 1.929 -5.216 390 1HB TYR 51 2HB TYR 51 8.087 -0.346 -4.718 391 2HB TYR 51 1HB TYR 51 6.615 -0.573 -3.771 392 HD1 TYR 51 1HD TYR 51 4.666 -1.382 -4.798 393 HD2 TYR 51 2HD TYR 51 7.789 0.302 -7.217 394 HE1 TYR 51 1HE TYR 51 3.452 -2.074 -6.848 395 HE2 TYR 51 2HE TYR 51 6.576 -0.389 -9.266 396 HH TYR 51 HH TYR 51 4.311 -2.617 -9.395 397 H ASN 52 H ASN 52 5.852 2.746 -6.342 398 HA ASN 52 HA ASN 52 3.297 3.145 -4.973 399 1HB ASN 52 2HB ASN 52 4.304 5.084 -6.058 400 2HB ASN 52 1HB ASN 52 4.353 4.224 -7.597 401 1HD2 ASN 52 1HD2 ASN 52 2.942 6.563 -7.677 402 2HD2 ASN 52 2HD2 ASN 52 1.270 6.272 -7.680 403 H ASP 53 H ASP 53 1.507 2.025 -5.416 404 HA ASP 53 HA ASP 53 1.592 0.112 -7.657 405 1HB ASP 53 2HB ASP 53 -0.095 -1.141 -6.468 406 2HB ASP 53 1HB ASP 53 1.211 -0.767 -5.344 407 H THR 54 H THR 54 -0.374 2.644 -6.169 408 HA THR 54 HA THR 54 -2.635 2.457 -7.822 409 HB THR 54 HB THR 54 -2.880 4.942 -7.254 410 HG1 THR 54 1HG THR 54 -0.943 5.682 -6.783 411 1HG2 THR 54 1HG2 THR 54 -3.911 3.127 -5.936 412 2HG2 THR 54 2HG2 THR 54 -3.372 4.445 -4.895 413 3HG2 THR 54 3HG2 THR 54 -2.422 2.963 -5.004 414 H THR 55 H THR 55 -2.743 2.630 -9.961 415 HA THR 55 HA THR 55 -0.650 4.035 -11.431 416 HB THR 55 HB THR 55 -1.664 3.046 -13.412 417 HG1 THR 55 1HG THR 55 -3.525 1.586 -12.038 418 1HG2 THR 55 1HG2 THR 55 -1.324 0.709 -12.876 419 2HG2 THR 55 2HG2 THR 55 -1.624 1.017 -11.165 420 3HG2 THR 55 3HG2 THR 55 -0.176 1.664 -11.937 421 H GLN 56 H GLN 56 -3.394 4.972 -9.925 422 HA GLN 56 HA GLN 56 -4.072 6.975 -11.993 423 1HB GLN 56 2HB GLN 56 -6.170 7.181 -10.394 424 2HB GLN 56 1HB GLN 56 -6.089 5.916 -11.620 425 1HG GLN 56 2HG GLN 56 -5.029 5.463 -8.833 426 2HG GLN 56 1HG GLN 56 -6.730 5.207 -9.217 427 1HE2 GLN 56 1HE2 GLN 56 -4.091 3.406 -8.774 428 2HE2 GLN 56 2HE2 GLN 56 -4.304 2.216 -9.966 429 H TYR 57 H TYR 57 -2.718 6.477 -8.901 430 HA TYR 57 HA TYR 57 -2.631 9.393 -8.474 431 1HB TYR 57 2HB TYR 57 -2.870 7.558 -6.119 432 2HB TYR 57 1HB TYR 57 -3.296 9.264 -6.255 433 HD1 TYR 57 1HD TYR 57 -5.109 9.699 -8.250 434 HD2 TYR 57 2HD TYR 57 -4.657 6.077 -5.986 435 HE1 TYR 57 1HE TYR 57 -7.448 9.074 -8.784 436 HE2 TYR 57 2HE TYR 57 -6.998 5.452 -6.520 437 HH TYR 57 HH TYR 57 -9.143 6.740 -7.154 438 H GLU 58 H GLU 58 -0.763 10.159 -7.455 439 HA GLU 58 HA GLU 58 1.518 8.322 -7.570 440 1HB GLU 58 2HB GLU 58 2.728 10.600 -7.060 441 2HB GLU 58 1HB GLU 58 2.099 10.279 -8.676 442 1HG GLU 58 2HG GLU 58 0.063 11.527 -8.175 443 2HG GLU 58 1HG GLU 58 0.591 11.770 -6.511 444 H MET 59 H MET 59 2.823 7.857 -5.830 445 HA MET 59 HA MET 59 1.605 8.301 -3.206 446 1HB MET 59 2HB MET 59 3.689 6.421 -4.278 447 2HB MET 59 1HB MET 59 3.535 6.690 -2.541 448 1HG MET 59 2HG MET 59 2.150 4.768 -3.691 449 2HG MET 59 1HG MET 59 1.395 5.770 -2.451 450 1HE MET 59 1HE MET 59 -0.850 4.667 -3.622 451 2HE MET 59 2HE MET 59 -1.774 6.031 -4.247 452 3HE MET 59 3HE MET 59 -0.881 6.198 -2.738 453 H HIS 60 H HIS 60 2.279 9.881 -1.918 454 HA HIS 60 HA HIS 60 4.954 11.041 -2.373 455 1HB HIS 60 2HB HIS 60 2.488 12.193 -1.048 456 2HB HIS 60 1HB HIS 60 4.052 13.005 -1.117 457 HD1 HIS 60 1HD HIS 60 4.482 14.386 -3.157 458 HD2 HIS 60 2HD HIS 60 1.457 11.590 -3.799 459 HE1 HIS 60 1HE HIS 60 3.567 14.840 -5.475 460 HE2 HIS 60 2HE HIS 60 1.721 13.144 -5.881 461 H VAL 61 H VAL 61 6.480 10.891 -0.836 462 HA VAL 61 HA VAL 61 5.689 9.705 1.754 463 HB VAL 61 HB VAL 61 8.266 9.524 0.186 464 1HG1 VAL 61 1HG1 VAL 61 8.935 8.012 2.144 465 2HG1 VAL 61 2HG1 VAL 61 7.610 8.759 3.037 466 3HG1 VAL 61 3HG1 VAL 61 8.952 9.747 2.460 467 1HG2 VAL 61 1HG2 VAL 61 6.334 8.023 -0.420 468 2HG2 VAL 61 2HG2 VAL 61 6.387 7.381 1.223 469 3HG2 VAL 61 3HG2 VAL 61 7.762 7.153 0.142 470 H LEU 62 H LEU 62 6.088 10.791 3.581 471 HA LEU 62 HA LEU 62 8.072 12.953 3.589 472 1HB LEU 62 2HB LEU 62 5.846 13.966 3.049 473 2HB LEU 62 1HB LEU 62 5.242 13.349 4.586 474 HG LEU 62 HG LEU 62 7.165 14.584 5.704 475 1HD1 LEU 62 1HD1 LEU 62 7.864 16.604 4.167 476 2HD1 LEU 62 2HD1 LEU 62 7.453 15.497 2.856 477 3HD1 LEU 62 3HD1 LEU 62 8.706 15.062 4.017 478 1HD2 LEU 62 1HD2 LEU 62 5.989 16.727 5.656 479 2HD2 LEU 62 2HD2 LEU 62 4.807 15.417 5.640 480 3HD2 LEU 62 3HD2 LEU 62 5.186 16.283 4.150 481 H VAL 63 H VAL 63 9.375 11.811 4.992 482 HA VAL 63 HA VAL 63 8.196 11.152 7.626 483 HB VAL 63 HB VAL 63 10.626 9.936 6.290 484 1HG1 VAL 63 1HG1 VAL 63 10.835 9.938 8.715 485 2HG1 VAL 63 2HG1 VAL 63 10.434 8.305 8.182 486 3HG1 VAL 63 3HG1 VAL 63 9.187 9.332 8.890 487 1HG2 VAL 63 1HG2 VAL 63 8.260 9.414 5.373 488 2HG2 VAL 63 2HG2 VAL 63 7.999 8.579 6.906 489 3HG2 VAL 63 3HG2 VAL 63 9.281 8.045 5.818 490 H THR 64 H THR 64 8.968 12.181 9.363 491 HA THR 64 HA THR 64 11.360 13.880 9.015 492 HB THR 64 HB THR 64 9.088 14.117 11.005 493 HG1 THR 64 1HG THR 64 8.343 15.650 9.699 494 1HG2 THR 64 1HG2 THR 64 10.217 16.405 11.336 495 2HG2 THR 64 2HG2 THR 64 11.619 15.694 10.538 496 3HG2 THR 64 3HG2 THR 64 11.021 15.007 12.050 497 H PHE 65 H PHE 65 13.118 13.538 10.251 498 HA PHE 65 HA PHE 65 12.902 11.505 12.390 499 1HB PHE 65 2HB PHE 65 15.493 12.123 11.022 500 2HB PHE 65 1HB PHE 65 14.956 10.623 11.779 501 HD1 PHE 65 1HD PHE 65 13.763 8.963 10.546 502 HD2 PHE 65 2HD PHE 65 14.484 12.832 8.824 503 HE1 PHE 65 1HE PHE 65 12.975 8.131 8.347 504 HE2 PHE 65 2HE PHE 65 13.697 11.999 6.625 505 HZ PHE 65 HZ PHE 65 12.942 9.649 6.386 506 H ASN 66 H ASN 66 14.425 11.742 14.177 507 HA ASN 66 HA ASN 66 14.541 14.479 15.094 508 1HB ASN 66 2HB ASN 66 14.029 12.448 16.539 509 2HB ASN 66 1HB ASN 66 15.745 12.059 16.439 510 1HD2 ASN 66 1HD2 ASN 66 16.893 12.860 18.194 511 2HD2 ASN 66 2HD2 ASN 66 16.519 14.286 19.035 512 H GLU 67 H GLU 67 16.451 15.578 15.758 513 HA GLU 67 HA GLU 67 18.506 15.730 13.943 514 1HB GLU 67 2HB GLU 67 18.331 17.493 15.504 515 2HB GLU 67 1HB GLU 67 18.414 16.394 16.882 516 1HG GLU 67 2HG GLU 67 20.720 16.015 16.599 517 2HG GLU 67 1HG GLU 67 20.702 16.591 14.933 518 H ASP 68 H ASP 68 18.384 13.769 16.901 519 HA ASP 68 HA ASP 68 21.010 12.650 16.459 520 1HB ASP 68 2HB ASP 68 18.795 11.935 18.392 521 2HB ASP 68 1HB ASP 68 20.382 11.171 18.378 522 H CYS 69 H CYS 69 20.392 11.989 14.194 523 HA CYS 69 HA CYS 69 19.704 9.164 14.229 524 1HB CYS 69 2HB CYS 69 18.142 11.064 12.467 525 2HB CYS 69 1HB CYS 69 17.930 9.318 12.598 526 HG CYS 69 HG CYS 69 16.695 9.603 14.757 527 H ASP 70 H ASP 70 21.403 8.336 13.194 528 HA ASP 70 HA ASP 70 22.871 9.824 11.209 529 1HB ASP 70 2HB ASP 70 23.864 8.159 12.853 530 2HB ASP 70 1HB ASP 70 23.154 6.889 11.859 531 H ILE 71 H ILE 71 21.118 10.168 9.688 532 HA ILE 71 HA ILE 71 20.617 7.792 7.997 533 HB ILE 71 HB ILE 71 18.453 8.810 7.391 534 1HG1 ILE 71 2HG1 ILE 71 19.239 10.871 9.479 535 2HG1 ILE 71 1HG1 ILE 71 19.053 11.165 7.750 536 1HG2 ILE 71 1HG2 ILE 71 17.319 8.328 9.475 537 2HG2 ILE 71 2HG2 ILE 71 18.788 8.638 10.400 538 3HG2 ILE 71 3HG2 ILE 71 18.692 7.230 9.341 539 1HD1 ILE 71 1HD1 ILE 71 16.652 10.292 8.026 540 2HD1 ILE 71 2HD1 ILE 71 17.000 11.878 8.715 541 3HD1 ILE 71 3HD1 ILE 71 16.911 10.462 9.762 542 H LYS 72 H LYS 72 20.319 8.254 5.708 543 HA LYS 72 HA LYS 72 21.574 10.778 4.828 544 1HB LYS 72 2HB LYS 72 23.051 8.589 4.834 545 2HB LYS 72 1HB LYS 72 22.156 8.243 3.353 546 1HG LYS 72 2HG LYS 72 22.763 10.700 2.706 547 2HG LYS 72 1HG LYS 72 24.009 10.540 3.944 548 1HD LYS 72 2HD LYS 72 23.645 8.818 1.478 549 2HD LYS 72 1HD LYS 72 24.999 9.887 1.845 550 1HE LYS 72 2HE LYS 72 25.325 8.440 3.958 551 2HE LYS 72 1HE LYS 72 24.271 7.272 3.161 552 1HZ LYS 72 1HZ LYS 72 26.762 7.053 2.789 553 2HZ LYS 72 2HZ LYS 72 26.623 8.421 1.790 554 3HZ LYS 72 3HZ LYS 72 25.767 7.002 1.416 555 H ALA 73 H ALA 73 21.161 11.258 2.527 556 HA ALA 73 HA ALA 73 18.416 10.489 1.822 557 1HB ALA 73 1HB ALA 73 19.651 12.935 1.852 558 2HB ALA 73 2HB ALA 73 18.200 12.554 0.924 559 3HB ALA 73 3HB ALA 73 19.784 12.487 0.152 560 H LEU 74 H LEU 74 17.892 9.429 -0.033 561 HA LEU 74 HA LEU 74 20.145 8.542 -1.733 562 1HB LEU 74 2HB LEU 74 17.552 7.052 -1.322 563 2HB LEU 74 1HB LEU 74 19.042 6.455 -2.052 564 HG LEU 74 HG LEU 74 18.830 7.371 0.828 565 1HD1 LEU 74 1HD1 LEU 74 19.118 4.502 0.001 566 2HD1 LEU 74 2HD1 LEU 74 17.512 5.230 0.015 567 3HD1 LEU 74 3HD1 LEU 74 18.467 5.171 1.497 568 1HD2 LEU 74 1HD2 LEU 74 21.089 7.511 0.084 569 2HD2 LEU 74 2HD2 LEU 74 20.956 6.015 -0.842 570 3HD2 LEU 74 3HD2 LEU 74 20.979 5.962 0.921 571 H GLY 75 H GLY 75 19.422 7.906 -3.978 572 1HA GLY 75 2HA GLY 75 18.677 8.688 -6.021 573 2HA GLY 75 1HA GLY 75 17.098 8.625 -5.243 574 H LYS 76 H LYS 76 16.117 10.462 -5.887 575 HA LYS 76 HA LYS 76 17.601 12.986 -5.897 576 1HB LYS 76 2HB LYS 76 15.415 13.869 -6.844 577 2HB LYS 76 1HB LYS 76 16.244 12.665 -7.833 578 1HG LYS 76 2HG LYS 76 14.562 11.168 -7.607 579 2HG LYS 76 1HG LYS 76 14.425 11.466 -5.873 580 1HD LYS 76 2HD LYS 76 12.998 13.337 -6.196 581 2HD LYS 76 1HD LYS 76 13.401 13.448 -7.910 582 1HE LYS 76 2HE LYS 76 12.191 11.441 -8.415 583 2HE LYS 76 1HE LYS 76 12.013 11.043 -6.706 584 1HZ LYS 76 1HZ LYS 76 10.807 13.277 -6.567 585 2HZ LYS 76 2HZ LYS 76 9.982 11.969 -7.272 586 3HZ LYS 76 3HZ LYS 76 10.677 13.169 -8.255 587 H THR 77 H THR 77 15.968 11.199 -3.667 588 HA THR 77 HA THR 77 14.146 12.808 -2.387 589 HB THR 77 HB THR 77 16.264 11.120 -1.034 590 HG1 THR 77 1HG THR 77 13.738 10.538 -2.166 591 1HG2 THR 77 1HG2 THR 77 15.182 12.425 0.627 592 2HG2 THR 77 2HG2 THR 77 14.338 10.877 0.647 593 3HG2 THR 77 3HG2 THR 77 13.612 12.266 -0.160 594 H LYS 78 H LYS 78 14.222 14.795 -1.571 595 HA LYS 78 HA LYS 78 16.780 16.129 -1.217 596 1HB LYS 78 2HB LYS 78 14.735 17.204 -2.272 597 2HB LYS 78 1HB LYS 78 14.032 17.250 -0.654 598 1HG LYS 78 2HG LYS 78 15.061 19.327 -0.708 599 2HG LYS 78 1HG LYS 78 16.366 18.350 -0.034 600 1HD LYS 78 2HD LYS 78 17.502 19.412 -1.753 601 2HD LYS 78 1HD LYS 78 16.949 17.964 -2.594 602 1HE LYS 78 2HE LYS 78 16.351 19.753 -4.033 603 2HE LYS 78 1HE LYS 78 14.853 19.330 -3.204 604 1HZ LYS 78 1HZ LYS 78 15.419 21.098 -1.561 605 2HZ LYS 78 2HZ LYS 78 15.073 21.671 -3.122 606 3HZ LYS 78 3HZ LYS 78 16.683 21.580 -2.585 607 H LEU 79 H LEU 79 17.809 16.376 0.660 608 HA LEU 79 HA LEU 79 16.302 15.877 3.157 609 1HB LEU 79 2HB LEU 79 17.815 14.017 2.717 610 2HB LEU 79 1HB LEU 79 19.164 15.134 2.508 611 HG LEU 79 HG LEU 79 18.913 15.893 4.836 612 1HD1 LEU 79 1HD1 LEU 79 16.522 14.090 4.680 613 2HD1 LEU 79 2HD1 LEU 79 16.673 15.683 5.422 614 3HD1 LEU 79 3HD1 LEU 79 17.353 14.268 6.226 615 1HD2 LEU 79 1HD2 LEU 79 20.447 14.082 4.565 616 2HD2 LEU 79 2HD2 LEU 79 19.143 12.913 4.359 617 3HD2 LEU 79 3HD2 LEU 79 19.436 13.637 5.940 618 H GLU 80 H GLU 80 16.394 17.437 4.653 619 HA GLU 80 HA GLU 80 18.643 19.292 4.737 620 1HB GLU 80 2HB GLU 80 17.132 21.275 4.659 621 2HB GLU 80 1HB GLU 80 17.194 20.394 3.131 622 1HG GLU 80 2HG GLU 80 15.113 19.193 3.767 623 2HG GLU 80 1HG GLU 80 15.034 20.149 5.245 624 H GLN 81 H GLN 81 18.755 20.482 6.697 625 HA GLN 81 HA GLN 81 17.110 19.315 8.854 626 1HB GLN 81 2HB GLN 81 19.583 18.953 8.964 627 2HB GLN 81 1HB GLN 81 19.790 20.701 9.085 628 1HG GLN 81 2HG GLN 81 18.436 20.740 11.130 629 2HG GLN 81 1HG GLN 81 18.163 19.003 11.000 630 1HE2 GLN 81 1HE2 GLN 81 19.352 19.797 13.341 631 2HE2 GLN 81 2HE2 GLN 81 21.008 19.425 13.338 632 H GLN 82 H GLN 82 16.287 20.669 10.493 633 HA GLN 82 HA GLN 82 15.912 23.465 9.628 634 1HB GLN 82 2HB GLN 82 14.279 22.156 11.775 635 2HB GLN 82 1HB GLN 82 13.827 23.441 10.654 636 1HG GLN 82 2HG GLN 82 14.250 20.517 9.980 637 2HG GLN 82 1HG GLN 82 12.719 21.388 9.971 638 1HE2 GLN 82 1HE2 GLN 82 14.719 20.121 7.799 639 2HE2 GLN 82 2HE2 GLN 82 14.678 21.299 6.578 640 H GLU 83 H GLU 83 15.573 25.017 11.513 641 HA GLU 83 HA GLU 83 17.942 25.108 13.066 642 1HB GLU 83 2HB GLU 83 16.979 27.090 14.086 643 2HB GLU 83 1HB GLU 83 16.639 27.111 12.355 644 1HG GLU 83 2HG GLU 83 14.402 26.057 12.870 645 2HG GLU 83 1HG GLU 83 14.747 26.312 14.580 646 H ASN 84 H ASN 84 14.668 24.009 13.728 647 HA ASN 84 HA ASN 84 14.888 23.797 16.542 648 1HB ASN 84 2HB ASN 84 13.002 22.138 16.283 649 2HB ASN 84 1HB ASN 84 12.711 23.714 15.550 650 1HD2 ASN 84 1HD2 ASN 84 14.464 20.748 14.447 651 2HD2 ASN 84 2HD2 ASN 84 13.662 20.663 12.954 652 H GLY 85 H GLY 85 16.048 21.826 13.931 653 1HA GLY 85 2HA GLY 85 17.848 20.287 14.240 654 2HA GLY 85 1HA GLY 85 17.301 20.025 15.893 655 H GLU 86 H GLU 86 15.754 19.842 12.679 656 HA GLU 86 HA GLU 86 15.081 17.027 13.234 657 1HB GLU 86 2HB GLU 86 13.169 19.176 12.298 658 2HB GLU 86 1HB GLU 86 12.814 17.449 12.248 659 1HG GLU 86 2HG GLU 86 13.611 18.924 14.771 660 2HG GLU 86 1HG GLU 86 11.939 18.627 14.302 661 H TRP 87 H TRP 87 15.116 15.692 11.470 662 HA TRP 87 HA TRP 87 16.172 16.868 8.991 663 1HB TRP 87 2HB TRP 87 16.168 14.070 10.118 664 2HB TRP 87 1HB TRP 87 16.600 14.403 8.441 665 HD1 TRP 87 HD TRP 87 17.957 14.480 11.912 666 HE1 TRP 87 1HE TRP 87 20.350 15.437 11.904 667 HE3 TRP 87 3HE TRP 87 18.172 16.277 7.137 668 HZ2 TRP 87 2HZ TRP 87 22.123 16.783 10.108 669 HZ3 TRP 87 3HZ TRP 87 20.221 17.394 6.305 670 HH2 TRP 87 HH TRP 87 22.197 17.647 7.782 671 H VAL 88 H VAL 88 15.060 16.860 7.119 672 HA VAL 88 HA VAL 88 12.457 15.449 7.084 673 HB VAL 88 HB VAL 88 13.176 18.141 5.900 674 1HG1 VAL 88 1HG1 VAL 88 10.680 18.118 5.328 675 2HG1 VAL 88 2HG1 VAL 88 10.731 16.380 5.628 676 3HG1 VAL 88 3HG1 VAL 88 11.711 17.081 4.341 677 1HG2 VAL 88 1HG2 VAL 88 11.111 17.368 7.985 678 2HG2 VAL 88 2HG2 VAL 88 11.536 19.001 7.472 679 3HG2 VAL 88 3HG2 VAL 88 12.700 18.028 8.371 680 H ALA 89 H ALA 89 12.151 14.067 5.454 681 HA ALA 89 HA ALA 89 13.791 14.352 3.018 682 1HB ALA 89 1HB ALA 89 14.739 12.604 4.570 683 2HB ALA 89 2HB ALA 89 14.279 12.000 2.978 684 3HB ALA 89 3HB ALA 89 13.236 11.704 4.369 685 H SER 90 H SER 90 12.313 14.821 1.506 686 HA SER 90 HA SER 90 9.844 13.189 1.432 687 1HB SER 90 2HB SER 90 8.640 15.059 0.603 688 2HB SER 90 1HB SER 90 9.589 15.675 1.953 689 HG SER 90 HG SER 90 9.579 16.618 -0.440 690 H VAL 91 H VAL 91 9.190 12.366 -0.533 691 HA VAL 91 HA VAL 91 10.494 13.082 -3.001 692 HB VAL 91 HB VAL 91 12.136 11.532 -1.825 693 1HG1 VAL 91 1HG1 VAL 91 10.231 10.071 -0.935 694 2HG1 VAL 91 2HG1 VAL 91 11.601 9.212 -1.641 695 3HG1 VAL 91 3HG1 VAL 91 10.112 9.410 -2.565 696 1HG2 VAL 91 1HG2 VAL 91 12.364 11.806 -4.183 697 2HG2 VAL 91 2HG2 VAL 91 10.898 10.882 -4.508 698 3HG2 VAL 91 3HG2 VAL 91 12.345 10.063 -3.922 699 H VAL 92 H VAL 92 9.275 12.512 -4.747 700 HA VAL 92 HA VAL 92 6.720 11.185 -4.157 701 HB VAL 92 HB VAL 92 7.566 12.728 -6.620 702 1HG1 VAL 92 1HG1 VAL 92 4.906 11.677 -5.619 703 2HG1 VAL 92 2HG1 VAL 92 5.741 11.217 -7.103 704 3HG1 VAL 92 3HG1 VAL 92 5.064 12.837 -6.937 705 1HG2 VAL 92 1HG2 VAL 92 6.029 14.481 -5.594 706 2HG2 VAL 92 2HG2 VAL 92 7.566 14.249 -4.759 707 3HG2 VAL 92 3HG2 VAL 92 6.090 13.542 -4.103 708 H VAL 93 H VAL 93 6.171 9.253 -4.987 709 HA VAL 93 HA VAL 93 8.085 7.976 -6.846 710 HB VAL 93 HB VAL 93 6.174 6.594 -4.954 711 1HG1 VAL 93 1HG1 VAL 93 8.603 5.624 -6.492 712 2HG1 VAL 93 2HG1 VAL 93 6.927 5.296 -6.928 713 3HG1 VAL 93 3HG1 VAL 93 7.592 4.642 -5.431 714 1HG2 VAL 93 1HG2 VAL 93 8.113 6.230 -3.507 715 2HG2 VAL 93 2HG2 VAL 93 7.877 7.963 -3.743 716 3HG2 VAL 93 3HG2 VAL 93 9.146 7.116 -4.629 717 H TYR 94 H TYR 94 7.365 7.359 -8.792 718 HA TYR 94 HA TYR 94 4.523 7.752 -9.398 719 1HB TYR 94 2HB TYR 94 6.918 7.326 -11.200 720 2HB TYR 94 1HB TYR 94 5.267 7.582 -11.765 721 HD1 TYR 94 1HD TYR 94 4.054 9.686 -10.597 722 HD2 TYR 94 2HD TYR 94 8.296 9.196 -11.063 723 HE1 TYR 94 1HE TYR 94 4.362 12.137 -10.381 724 HE2 TYR 94 2HE TYR 94 8.604 11.648 -10.851 725 HH TYR 94 HH TYR 94 7.606 13.584 -10.331 726 HA PRO 95 HA PRO 95 3.470 3.507 -9.535 727 1HB PRO 95 2HB PRO 95 1.950 3.444 -11.860 728 2HB PRO 95 1HB PRO 95 1.361 3.971 -10.273 729 1HG PRO 95 2HG PRO 95 2.290 5.595 -12.585 730 2HG PRO 95 1HG PRO 95 0.961 5.896 -11.452 731 1HD PRO 95 2HD PRO 95 3.297 7.229 -11.250 732 2HD PRO 95 1HD PRO 95 2.376 6.754 -9.805 733 H CYS 96 H CYS 96 4.004 1.533 -10.536 734 HA CYS 96 HA CYS 96 5.246 0.093 -11.824 735 1HB CYS 96 2HB CYS 96 5.255 2.192 -13.985 736 2HB CYS 96 1HB CYS 96 5.287 0.438 -14.158 737 HG CYS 96 HG CYS 96 2.765 2.109 -13.418 738 H GLU 97 H GLU 97 6.486 2.254 -10.162 739 HA GLU 97 HA GLU 97 9.202 1.922 -11.187 740 1HB GLU 97 2HB GLU 97 8.205 4.130 -12.052 741 2HB GLU 97 1HB GLU 97 8.279 4.674 -10.376 742 1HG GLU 97 2HG GLU 97 10.700 4.139 -10.325 743 2HG GLU 97 1HG GLU 97 10.615 3.659 -12.020 744 H THR 98 H THR 98 10.829 2.337 -9.575 745 HA THR 98 HA THR 98 9.838 2.615 -6.817 746 HB THR 98 HB THR 98 11.955 0.580 -7.407 747 HG1 THR 98 1HG THR 98 9.301 0.478 -8.106 748 1HG2 THR 98 1HG2 THR 98 10.788 -0.457 -5.389 749 2HG2 THR 98 2HG2 THR 98 9.861 1.039 -5.276 750 3HG2 THR 98 3HG2 THR 98 11.616 1.073 -5.096 751 H GLU 99 H GLU 99 10.924 4.197 -5.851 752 HA GLU 99 HA GLU 99 13.664 4.798 -6.788 753 1HB GLU 99 2HB GLU 99 11.650 6.652 -5.492 754 2HB GLU 99 1HB GLU 99 13.260 7.102 -6.054 755 1HG GLU 99 2HG GLU 99 11.092 5.946 -7.828 756 2HG GLU 99 1HG GLU 99 11.463 7.665 -7.699 757 H MET 100 H MET 100 15.145 5.652 -5.153 758 HA MET 100 HA MET 100 14.957 4.124 -2.691 759 1HB MET 100 2HB MET 100 17.113 5.972 -3.740 760 2HB MET 100 1HB MET 100 17.246 4.984 -2.286 761 1HG MET 100 2HG MET 100 16.513 3.058 -3.992 762 2HG MET 100 1HG MET 100 17.262 4.153 -5.152 763 1HE MET 100 1HE MET 100 17.344 2.756 -1.810 764 2HE MET 100 2HE MET 100 19.022 2.604 -1.296 765 3HE MET 100 3HE MET 100 18.301 1.354 -2.306 766 H PHE 101 H PHE 101 15.201 5.061 -0.586 767 HA PHE 101 HA PHE 101 14.141 7.820 -0.431 768 1HB PHE 101 2HB PHE 101 12.551 6.058 0.332 769 2HB PHE 101 1HB PHE 101 13.726 5.573 1.554 770 HD1 PHE 101 1HD PHE 101 12.760 6.219 3.610 771 HD2 PHE 101 2HD PHE 101 12.814 8.983 0.323 772 HE1 PHE 101 1HE PHE 101 11.883 8.002 5.095 773 HE2 PHE 101 2HE PHE 101 11.946 10.769 1.809 774 HZ PHE 101 HZ PHE 101 11.473 10.276 4.194 775 H ILE 102 H ILE 102 14.956 6.225 2.478 776 HA ILE 102 HA ILE 102 17.547 7.643 2.606 777 HB ILE 102 HB ILE 102 17.077 8.348 4.859 778 1HG1 ILE 102 2HG1 ILE 102 14.617 7.859 5.657 779 2HG1 ILE 102 1HG1 ILE 102 14.720 6.510 4.526 780 1HG2 ILE 102 1HG2 ILE 102 15.216 9.870 4.471 781 2HG2 ILE 102 2HG2 ILE 102 14.615 8.854 3.160 782 3HG2 ILE 102 3HG2 ILE 102 16.145 9.715 2.979 783 1HD1 ILE 102 1HD1 ILE 102 17.126 6.708 6.146 784 2HD1 ILE 102 2HD1 ILE 102 16.039 5.336 5.929 785 3HD1 ILE 102 3HD1 ILE 102 15.688 6.553 7.156 786 H GLU 103 H GLU 103 19.069 6.752 4.132 787 HA GLU 103 HA GLU 103 18.495 3.984 4.976 788 1HB GLU 103 2HB GLU 103 20.612 3.206 4.153 789 2HB GLU 103 1HB GLU 103 19.804 4.036 2.822 790 1HG GLU 103 2HG GLU 103 21.084 6.107 3.400 791 2HG GLU 103 1HG GLU 103 21.966 5.178 4.611 792 H GLY 104 H GLY 104 20.639 3.253 6.277 793 1HA GLY 104 2HA GLY 104 22.251 3.830 7.924 794 2HA GLY 104 1HA GLY 104 21.550 5.443 8.011 795 H ARG 105 H ARG 105 21.465 5.243 10.314 796 HA ARG 105 HA ARG 105 19.604 3.244 11.392 797 1HB ARG 105 2HB ARG 105 21.841 3.639 12.474 798 2HB ARG 105 1HB ARG 105 21.281 5.256 12.905 799 1HG ARG 105 2HG ARG 105 19.371 4.257 14.127 800 2HG ARG 105 1HG ARG 105 19.968 2.647 13.724 801 1HD ARG 105 2HD ARG 105 22.125 3.235 14.874 802 2HD ARG 105 1HD ARG 105 21.377 4.741 15.400 803 HE ARG 105 HE ARG 105 20.852 2.090 16.450 804 1HH1 ARG 105 1HH2 ARG 105 19.730 5.334 16.020 805 2HH1 ARG 105 2HH2 ARG 105 18.651 5.288 17.373 806 1HH2 ARG 105 1HH1 ARG 105 19.437 2.021 18.226 807 2HH2 ARG 105 2HH1 ARG 105 18.484 3.412 18.621 808 H VAL 106 H VAL 106 17.671 3.764 12.326 809 HA VAL 106 HA VAL 106 16.817 6.582 12.060 810 HB VAL 106 HB VAL 106 14.979 4.196 12.197 811 1HG1 VAL 106 1HG1 VAL 106 13.352 5.699 11.348 812 2HG1 VAL 106 2HG1 VAL 106 14.573 6.870 10.851 813 3HG1 VAL 106 3HG1 VAL 106 14.221 6.633 12.565 814 1HG2 VAL 106 1HG2 VAL 106 16.419 5.411 9.833 815 2HG2 VAL 106 2HG2 VAL 106 14.895 4.544 9.644 816 3HG2 VAL 106 3HG2 VAL 106 16.309 3.711 10.287 817 H ASN 107 H ASN 107 16.144 7.653 13.817 818 HA ASN 107 HA ASN 107 15.465 6.140 16.251 819 1HB ASN 107 2HB ASN 107 17.670 6.689 16.790 820 2HB ASN 107 1HB ASN 107 17.597 8.232 15.939 821 1HD2 ASN 107 1HD2 ASN 107 18.050 9.650 17.694 822 2HD2 ASN 107 2HD2 ASN 107 17.068 9.762 19.074 823 H GLY 108 H GLY 108 13.536 6.783 16.952 824 1HA GLY 108 2HA GLY 108 11.598 8.041 17.118 825 2HA GLY 108 1HA GLY 108 12.715 9.291 17.656 826 H PHE 109 H PHE 109 10.682 8.190 15.098 827 HA PHE 109 HA PHE 109 11.119 10.716 13.677 828 1HB PHE 109 2HB PHE 109 11.300 9.571 11.507 829 2HB PHE 109 1HB PHE 109 12.625 9.113 12.578 830 HD1 PHE 109 1HD PHE 109 9.841 7.934 10.624 831 HD2 PHE 109 2HD PHE 109 12.382 6.954 13.945 832 HE1 PHE 109 1HE PHE 109 9.167 5.555 10.437 833 HE2 PHE 109 2HE PHE 109 11.713 4.574 13.754 834 HZ PHE 109 HZ PHE 109 10.106 3.874 12.000 835 H LYS 110 H LYS 110 9.396 11.253 12.214 836 HA LYS 110 HA LYS 110 6.887 9.794 12.793 837 1HB LYS 110 2HB LYS 110 7.241 12.725 12.116 838 2HB LYS 110 1HB LYS 110 5.716 11.918 12.486 839 1HG LYS 110 2HG LYS 110 6.612 11.317 14.731 840 2HG LYS 110 1HG LYS 110 8.082 12.220 14.361 841 1HD LYS 110 2HD LYS 110 6.595 14.238 13.929 842 2HD LYS 110 1HD LYS 110 5.269 13.304 14.625 843 1HE LYS 110 2HE LYS 110 6.592 13.005 16.703 844 2HE LYS 110 1HE LYS 110 7.879 13.992 16.009 845 1HZ LYS 110 1HZ LYS 110 6.715 15.568 17.143 846 2HZ LYS 110 2HZ LYS 110 5.219 14.788 16.944 847 3HZ LYS 110 3HZ LYS 110 5.907 15.653 15.654 848 H SER 111 H SER 111 5.679 9.100 11.110 849 HA SER 111 HA SER 111 6.693 9.708 8.400 850 1HB SER 111 2HB SER 111 5.138 7.264 9.256 851 2HB SER 111 1HB SER 111 5.954 7.528 7.717 852 HG SER 111 HG SER 111 6.951 6.729 10.141 853 H LYS 112 H LYS 112 5.348 10.559 6.932 854 HA LYS 112 HA LYS 112 2.447 10.423 7.362 855 1HB LYS 112 2HB LYS 112 3.282 12.566 8.360 856 2HB LYS 112 1HB LYS 112 3.878 13.022 6.763 857 1HG LYS 112 2HG LYS 112 1.683 13.064 5.841 858 2HG LYS 112 1HG LYS 112 1.001 12.226 7.235 859 1HD LYS 112 2HD LYS 112 0.454 14.596 7.392 860 2HD LYS 112 1HD LYS 112 1.614 14.188 8.657 861 1HE LYS 112 2HE LYS 112 3.414 15.194 7.489 862 2HE LYS 112 1HE LYS 112 2.513 15.238 5.974 863 1HZ LYS 112 1HZ LYS 112 0.907 16.733 7.254 864 2HZ LYS 112 2HZ LYS 112 2.389 17.401 6.761 865 3HZ LYS 112 3HZ LYS 112 2.167 16.919 8.376 866 H MET 113 H MET 113 1.509 9.781 5.529 867 HA MET 113 HA MET 113 2.796 10.492 2.965 868 1HB MET 113 2HB MET 113 1.530 7.836 3.673 869 2HB MET 113 1HB MET 113 2.204 8.273 2.103 870 1HG MET 113 2HG MET 113 3.980 7.123 3.120 871 2HG MET 113 1HG MET 113 4.371 8.811 3.451 872 1HE MET 113 1HE MET 113 2.051 5.936 4.921 873 2HE MET 113 2HE MET 113 3.071 5.512 6.294 874 3HE MET 113 3HE MET 113 3.719 5.408 4.659 875 H ASP 114 H ASP 114 1.231 10.034 1.094 876 HA ASP 114 HA ASP 114 -1.588 10.258 1.662 877 1HB ASP 114 2HB ASP 114 -0.538 12.608 1.984 878 2HB ASP 114 1HB ASP 114 -0.383 12.610 0.228 879 H ALA 115 H ALA 115 -2.810 10.664 -0.464 880 HA ALA 115 HA ALA 115 -1.326 9.401 -2.691 881 1HB ALA 115 1HB ALA 115 -3.377 8.237 -3.316 882 2HB ALA 115 2HB ALA 115 -4.245 9.006 -1.987 883 3HB ALA 115 3HB ALA 115 -2.955 7.851 -1.648 884 H LEU 116 H LEU 116 -0.869 11.410 -3.650 885 HA LEU 116 HA LEU 116 -3.099 13.148 -4.384 886 1HB LEU 116 2HB LEU 116 -0.235 13.517 -5.238 887 2HB LEU 116 1HB LEU 116 -1.481 14.742 -4.991 888 HG LEU 116 HG LEU 116 -0.114 13.086 -2.851 889 1HD1 LEU 116 1HD1 LEU 116 0.840 15.146 -2.126 890 2HD1 LEU 116 2HD1 LEU 116 -0.244 16.093 -3.146 891 3HD1 LEU 116 3HD1 LEU 116 1.044 15.135 -3.878 892 1HD2 LEU 116 1HD2 LEU 116 -2.390 13.299 -2.160 893 2HD2 LEU 116 2HD2 LEU 116 -2.492 14.955 -2.754 894 3HD2 LEU 116 3HD2 LEU 116 -1.527 14.591 -1.325 895 HA PRO 117 HA PRO 117 -3.610 11.485 -8.422 896 1HB PRO 117 2HB PRO 117 -4.384 13.723 -9.796 897 2HB PRO 117 1HB PRO 117 -5.437 12.865 -8.657 898 1HG PRO 117 2HG PRO 117 -3.853 15.356 -8.264 899 2HG PRO 117 1HG PRO 117 -5.485 14.952 -7.701 900 1HD PRO 117 2HD PRO 117 -3.301 14.848 -6.068 901 2HD PRO 117 1HD PRO 117 -4.710 13.785 -5.857 902 H LEU 118 H LEU 118 -2.435 11.141 -10.279 903 HA LEU 118 HA LEU 118 0.208 11.918 -10.488 904 1HB LEU 118 2HB LEU 118 -1.599 11.278 -12.830 905 2HB LEU 118 1HB LEU 118 0.154 11.091 -12.759 906 HG LEU 118 HG LEU 118 -1.842 9.611 -11.020 907 1HD1 LEU 118 1HD1 LEU 118 -1.606 9.030 -13.541 908 2HD1 LEU 118 2HD1 LEU 118 -1.459 7.718 -12.371 909 3HD1 LEU 118 3HD1 LEU 118 -0.012 8.418 -13.098 910 1HD2 LEU 118 1HD2 LEU 118 0.357 8.251 -10.602 911 2HD2 LEU 118 2HD2 LEU 118 0.115 9.765 -9.729 912 3HD2 LEU 118 3HD2 LEU 118 1.166 9.721 -11.145 913 H SER 119 H SER 119 0.848 13.993 -10.446 914 HA SER 119 HA SER 119 -0.606 16.155 -11.583 915 1HB SER 119 2HB SER 119 2.316 16.003 -10.811 916 2HB SER 119 1HB SER 119 1.406 17.480 -11.112 917 HG SER 119 HG SER 119 1.553 15.995 -8.881 918 H GLU 120 H GLU 120 0.372 17.632 -13.254 919 HA GLU 120 HA GLU 120 0.509 16.415 -15.738 920 1HB GLU 120 2HB GLU 120 1.322 18.533 -16.591 921 2HB GLU 120 1HB GLU 120 0.125 18.850 -15.335 922 1HG GLU 120 2HG GLU 120 2.034 19.056 -13.693 923 2HG GLU 120 1HG GLU 120 3.138 18.979 -15.064 924 H GLU 121 H GLU 121 3.022 16.917 -13.375 925 HA GLU 121 HA GLU 121 5.284 16.599 -15.030 926 1HB GLU 121 2HB GLU 121 4.880 15.903 -12.112 927 2HB GLU 121 1HB GLU 121 6.445 15.940 -12.926 928 1HG GLU 121 2HG GLU 121 6.054 18.322 -13.518 929 2HG GLU 121 1HG GLU 121 4.534 18.275 -12.628 930 H TYR 122 H TYR 122 3.100 14.289 -13.533 931 HA TYR 122 HA TYR 122 4.603 11.948 -13.796 932 1HB TYR 122 2HB TYR 122 2.555 11.868 -12.566 933 2HB TYR 122 1HB TYR 122 1.624 12.425 -13.956 934 HD1 TYR 122 1HD TYR 122 3.944 9.662 -12.933 935 HD2 TYR 122 2HD TYR 122 0.598 10.852 -15.350 936 HE1 TYR 122 1HE TYR 122 3.633 7.311 -13.661 937 HE2 TYR 122 2HE TYR 122 0.298 8.505 -16.090 938 HH TYR 122 HH TYR 122 1.439 5.947 -14.587 939 H ARG 123 H ARG 123 2.437 13.541 -16.119 940 HA ARG 123 HA ARG 123 2.539 11.639 -18.164 941 1HB ARG 123 2HB ARG 123 2.354 14.653 -18.403 942 2HB ARG 123 1HB ARG 123 1.951 13.499 -19.674 943 1HG ARG 123 2HG ARG 123 0.279 12.467 -18.085 944 2HG ARG 123 1HG ARG 123 0.585 13.816 -16.990 945 1HD ARG 123 2HD ARG 123 -1.352 14.383 -18.309 946 2HD ARG 123 1HD ARG 123 -0.014 15.379 -18.874 947 HE ARG 123 HE ARG 123 -0.091 13.025 -20.421 948 1HH1 ARG 123 1HH2 ARG 123 -1.914 15.895 -19.780 949 2HH1 ARG 123 2HH2 ARG 123 -2.625 15.961 -21.357 950 1HH2 ARG 123 1HH1 ARG 123 -1.019 13.105 -22.492 951 2HH2 ARG 123 2HH1 ARG 123 -2.119 14.381 -22.893 952 H GLN 124 H GLN 124 4.724 14.327 -17.422 953 HA GLN 124 HA GLN 124 6.405 13.970 -19.695 954 1HB GLN 124 2HB GLN 124 6.900 15.297 -17.021 955 2HB GLN 124 1HB GLN 124 8.016 15.368 -18.385 956 1HG GLN 124 2HG GLN 124 6.287 16.415 -19.775 957 2HG GLN 124 1HG GLN 124 5.133 16.302 -18.447 958 1HE2 GLN 124 1HE2 GLN 124 5.787 18.839 -19.552 959 2HE2 GLN 124 2HE2 GLN 124 6.671 19.722 -18.402 960 H HIS 125 H HIS 125 6.455 12.742 -16.382 961 HA HIS 125 HA HIS 125 8.997 11.574 -16.368 962 1HB HIS 125 2HB HIS 125 7.821 11.670 -14.308 963 2HB HIS 125 1HB HIS 125 6.424 10.827 -14.978 964 HD1 HIS 125 1HD HIS 125 10.003 10.223 -13.912 965 HD2 HIS 125 2HD HIS 125 6.621 8.024 -14.963 966 HE1 HIS 125 1HE HIS 125 10.524 7.804 -13.372 967 HE2 HIS 125 2HE HIS 125 8.472 6.451 -14.007 968 H GLN 126 H GLN 126 5.957 10.455 -17.731 969 HA GLN 126 HA GLN 126 6.571 7.771 -18.191 970 1HB GLN 126 2HB GLN 126 4.906 9.686 -19.842 971 2HB GLN 126 1HB GLN 126 4.931 7.937 -20.069 972 1HG GLN 126 2HG GLN 126 4.072 7.561 -17.849 973 2HG GLN 126 1HG GLN 126 4.259 9.263 -17.432 974 1HE2 GLN 126 1HE2 GLN 126 1.718 7.840 -17.313 975 2HE2 GLN 126 2HE2 GLN 126 0.688 8.557 -18.457 976 H ALA 127 H ALA 127 7.603 10.665 -19.862 977 HA ALA 127 HA ALA 127 8.592 9.365 -22.208 978 1HB ALA 127 1HB ALA 127 9.430 12.023 -21.027 979 2HB ALA 127 2HB ALA 127 8.043 11.793 -22.093 980 3HB ALA 127 3HB ALA 127 9.675 11.485 -22.689 981 H GLU 128 H GLU 128 9.941 10.180 -19.064 982 HA GLU 128 HA GLU 128 12.662 9.660 -19.695 983 1HB GLU 128 2HB GLU 128 11.117 9.707 -17.102 984 2HB GLU 128 1HB GLU 128 12.844 9.356 -17.163 985 1HG GLU 128 2HG GLU 128 12.233 11.799 -16.770 986 2HG GLU 128 1HG GLU 128 13.341 11.496 -18.106 987 H LYS 129 H LYS 129 10.006 7.646 -18.531 988 HA LYS 129 HA LYS 129 11.493 5.340 -17.898 989 1HB LYS 129 2HB LYS 129 8.636 5.687 -18.824 990 2HB LYS 129 1HB LYS 129 9.306 4.144 -18.295 991 1HG LYS 129 2HG LYS 129 9.823 5.062 -16.102 992 2HG LYS 129 1HG LYS 129 9.312 6.670 -16.620 993 1HD LYS 129 2HD LYS 129 7.533 5.563 -15.318 994 2HD LYS 129 1HD LYS 129 7.021 5.825 -16.986 995 1HE LYS 129 2HE LYS 129 6.637 3.476 -15.879 996 2HE LYS 129 1HE LYS 129 7.215 3.564 -17.542 997 1HZ LYS 129 1HZ LYS 129 9.316 2.947 -16.948 998 2HZ LYS 129 2HZ LYS 129 8.423 2.082 -15.789 999 3HZ LYS 129 3HZ LYS 129 9.180 3.544 -15.366 1000 H ASP 130 H ASP 130 10.298 6.605 -20.941 1001 HA ASP 130 HA ASP 130 11.058 4.175 -22.378 1002 1HB ASP 130 2HB ASP 130 9.821 6.777 -23.303 1003 2HB ASP 130 1HB ASP 130 10.189 5.419 -24.365 1004 H LYS 131 H LYS 131 12.735 4.044 -23.839 1005 HA LYS 131 HA LYS 131 14.725 4.565 -24.869 1006 1HB LYS 131 2HB LYS 131 13.253 6.839 -25.171 1007 2HB LYS 131 1HB LYS 131 14.638 7.450 -24.266 1008 1HG LYS 131 2HG LYS 131 14.845 5.764 -26.777 1009 2HG LYS 131 1HG LYS 131 14.988 7.522 -26.742 1010 1HD LYS 131 2HD LYS 131 16.886 7.303 -25.142 1011 2HD LYS 131 1HD LYS 131 16.777 5.549 -25.291 1012 1HE LYS 131 2HE LYS 131 17.169 5.750 -27.734 1013 2HE LYS 131 1HE LYS 131 17.342 7.495 -27.547 1014 1HZ LYS 131 1HZ LYS 131 18.990 5.598 -25.992 1015 2HZ LYS 131 2HZ LYS 131 19.276 7.245 -26.298 1016 3HZ LYS 131 3HZ LYS 131 19.450 6.104 -27.545 Start of MODEL 8 1 H MET 1 1H MET 1 -5.335 -31.795 4.743 2 HA MET 1 HA MET 1 -5.656 -29.306 3.233 3 1HB MET 1 2HB MET 1 -7.105 -31.369 2.971 4 2HB MET 1 1HB MET 1 -7.662 -31.100 4.623 5 1HG MET 1 2HG MET 1 -8.363 -28.785 3.944 6 2HG MET 1 1HG MET 1 -7.954 -29.201 2.279 7 1HE MET 1 1HE MET 1 -9.063 -32.471 2.214 8 2HE MET 1 2HE MET 1 -8.637 -31.139 1.141 9 3HE MET 1 3HE MET 1 -10.276 -31.784 1.126 10 H GLY 2 H GLY 2 -6.607 -27.477 4.177 11 1HA GLY 2 2HA GLY 2 -5.928 -27.073 6.970 12 2HA GLY 2 1HA GLY 2 -6.530 -25.854 5.851 13 H CYS 3 H CYS 3 -7.696 -25.523 8.093 14 HA CYS 3 HA CYS 3 -10.338 -26.814 7.837 15 1HB CYS 3 2HB CYS 3 -9.040 -27.801 9.740 16 2HB CYS 3 1HB CYS 3 -8.981 -26.197 10.470 17 HG CYS 3 HG CYS 3 -11.843 -26.873 9.845 18 H GLY 4 H GLY 4 -12.069 -25.475 8.078 19 1HA GLY 4 2HA GLY 4 -11.796 -22.724 7.675 20 2HA GLY 4 1HA GLY 4 -13.265 -23.516 8.238 21 H ALA 5 H ALA 5 -11.604 -20.992 8.992 22 HA ALA 5 HA ALA 5 -12.332 -20.968 11.741 23 1HB ALA 5 1HB ALA 5 -9.350 -20.951 11.272 24 2HB ALA 5 2HB ALA 5 -10.226 -22.406 11.747 25 3HB ALA 5 3HB ALA 5 -10.209 -21.000 12.813 26 H SER 6 H SER 6 -10.237 -19.106 12.527 27 HA SER 6 HA SER 6 -11.387 -16.691 11.660 28 1HB SER 6 2HB SER 6 -8.637 -17.144 12.839 29 2HB SER 6 1HB SER 6 -9.488 -15.603 12.764 30 HG SER 6 HG SER 6 -10.958 -16.343 14.203 31 H SER 7 H SER 7 -10.482 -15.003 10.360 32 HA SER 7 HA SER 7 -8.771 -16.033 8.180 33 1HB SER 7 2HB SER 7 -9.851 -14.418 6.725 34 2HB SER 7 1HB SER 7 -11.087 -15.382 7.529 35 HG SER 7 HG SER 7 -11.416 -13.693 8.964 36 H GLU 8 H GLU 8 -7.146 -14.676 7.333 37 HA GLU 8 HA GLU 8 -6.585 -12.090 8.426 38 1HB GLU 8 2HB GLU 8 -5.902 -13.528 10.336 39 2HB GLU 8 1HB GLU 8 -4.759 -14.351 9.273 40 1HG GLU 8 2HG GLU 8 -3.635 -12.190 8.824 41 2HG GLU 8 1HG GLU 8 -4.757 -11.390 9.925 42 H ASN 9 H ASN 9 -3.942 -14.252 7.814 43 HA ASN 9 HA ASN 9 -2.381 -14.329 6.131 44 1HB ASN 9 2HB ASN 9 -4.737 -13.664 4.353 45 2HB ASN 9 1HB ASN 9 -3.222 -14.415 3.857 46 1HD2 ASN 9 1HD2 ASN 9 -2.878 -16.282 5.981 47 2HD2 ASN 9 2HD2 ASN 9 -4.139 -17.418 5.912 48 H SER 10 H SER 10 -2.407 -11.950 7.504 49 HA SER 10 HA SER 10 -2.742 -9.577 6.136 50 1HB SER 10 2HB SER 10 -2.082 -9.659 8.489 51 2HB SER 10 1HB SER 10 -0.509 -10.316 8.043 52 HG SER 10 HG SER 10 -1.436 -7.906 6.917 53 H SER 11 H SER 11 0.596 -10.535 6.649 54 HA SER 11 HA SER 11 2.434 -10.201 5.281 55 1HB SER 11 2HB SER 11 1.577 -12.461 4.643 56 2HB SER 11 1HB SER 11 0.666 -11.705 3.339 57 HG SER 11 HG SER 11 3.101 -10.770 3.160 58 H VAL 12 H VAL 12 2.078 -10.240 2.276 59 HA VAL 12 HA VAL 12 0.914 -7.566 1.865 60 HB VAL 12 HB VAL 12 3.603 -8.357 0.737 61 1HG1 VAL 12 1HG1 VAL 12 3.746 -6.072 0.076 62 2HG1 VAL 12 2HG1 VAL 12 2.378 -5.615 1.090 63 3HG1 VAL 12 3HG1 VAL 12 2.115 -6.580 -0.363 64 1HG2 VAL 12 1HG2 VAL 12 2.875 -6.862 3.264 65 2HG2 VAL 12 2HG2 VAL 12 4.435 -6.651 2.468 66 3HG2 VAL 12 3HG2 VAL 12 3.969 -8.234 3.091 67 H THR 13 H THR 13 -0.108 -7.307 -0.064 68 HA THR 13 HA THR 13 0.203 -9.430 -2.090 69 HB THR 13 HB THR 13 -2.500 -8.280 -1.439 70 HG1 THR 13 1HG THR 13 -1.510 -9.283 0.432 71 1HG2 THR 13 1HG2 THR 13 -2.095 -9.521 -3.571 72 2HG2 THR 13 2HG2 THR 13 -3.268 -10.318 -2.522 73 3HG2 THR 13 3HG2 THR 13 -1.616 -10.927 -2.620 74 H TYR 14 H TYR 14 0.997 -8.405 -3.813 75 HA TYR 14 HA TYR 14 0.499 -5.619 -4.334 76 1HB TYR 14 2HB TYR 14 1.722 -7.652 -6.208 77 2HB TYR 14 1HB TYR 14 1.934 -5.901 -6.233 78 HD1 TYR 14 1HD TYR 14 2.753 -9.023 -4.428 79 HD2 TYR 14 2HD TYR 14 3.414 -4.786 -4.674 80 HE1 TYR 14 1HE TYR 14 4.673 -9.232 -2.873 81 HE2 TYR 14 2HE TYR 14 5.334 -4.995 -3.120 82 HH TYR 14 HH TYR 14 6.508 -6.359 -1.823 83 H VAL 15 H VAL 15 -0.282 -4.916 -6.531 84 HA VAL 15 HA VAL 15 -2.375 -6.669 -7.623 85 HB VAL 15 HB VAL 15 -3.844 -5.473 -6.343 86 1HG1 VAL 15 1HG1 VAL 15 -1.736 -3.310 -6.395 87 2HG1 VAL 15 2HG1 VAL 15 -2.319 -4.233 -5.010 88 3HG1 VAL 15 3HG1 VAL 15 -3.352 -3.013 -5.755 89 1HG2 VAL 15 1HG2 VAL 15 -4.093 -4.841 -8.829 90 2HG2 VAL 15 2HG2 VAL 15 -3.357 -3.299 -8.387 91 3HG2 VAL 15 3HG2 VAL 15 -4.887 -3.788 -7.657 92 H ASN 16 H ASN 16 -1.058 -3.361 -7.943 93 HA ASN 16 HA ASN 16 -1.518 -3.268 -10.761 94 1HB ASN 16 2HB ASN 16 0.184 -1.551 -8.943 95 2HB ASN 16 1HB ASN 16 -0.115 -1.199 -10.645 96 1HD2 ASN 16 1HD2 ASN 16 -1.136 -0.191 -7.723 97 2HD2 ASN 16 2HD2 ASN 16 -2.768 0.133 -8.057 98 H GLY 17 H GLY 17 1.099 -4.361 -8.748 99 1HA GLY 17 2HA GLY 17 2.401 -5.933 -10.544 100 2HA GLY 17 1HA GLY 17 3.089 -4.339 -10.842 101 H ARG 18 H ARG 18 4.914 -6.025 -10.083 102 HA ARG 18 HA ARG 18 5.175 -5.953 -7.156 103 1HB ARG 18 2HB ARG 18 7.123 -7.262 -9.037 104 2HB ARG 18 1HB ARG 18 6.767 -7.661 -7.356 105 1HG ARG 18 2HG ARG 18 4.841 -8.007 -9.674 106 2HG ARG 18 1HG ARG 18 5.767 -9.307 -8.922 107 1HD ARG 18 2HD ARG 18 3.619 -7.601 -7.646 108 2HD ARG 18 1HD ARG 18 3.584 -9.340 -7.920 109 HE ARG 18 HE ARG 18 4.926 -7.958 -5.755 110 1HH1 ARG 18 1HH2 ARG 18 4.737 -10.797 -7.725 111 2HH1 ARG 18 2HH2 ARG 18 5.488 -11.828 -6.553 112 1HH2 ARG 18 1HH1 ARG 18 5.911 -9.304 -4.213 113 2HH2 ARG 18 2HH1 ARG 18 6.152 -10.983 -4.565 114 HA PRO 19 HA PRO 19 8.016 -2.593 -7.304 115 1HB PRO 19 2HB PRO 19 9.455 -3.122 -5.033 116 2HB PRO 19 1HB PRO 19 7.808 -2.463 -5.019 117 1HG PRO 19 2HG PRO 19 8.735 -5.253 -4.566 118 2HG PRO 19 1HG PRO 19 7.450 -4.344 -3.757 119 1HD PRO 19 2HD PRO 19 6.945 -6.223 -5.678 120 2HD PRO 19 1HD PRO 19 5.889 -4.821 -5.399 121 H THR 20 H THR 20 10.049 -2.123 -8.081 122 HA THR 20 HA THR 20 11.611 -4.307 -9.127 123 HB THR 20 HB THR 20 13.002 -2.560 -10.108 124 HG1 THR 20 1HG THR 20 13.194 -0.830 -8.956 125 1HG2 THR 20 1HG2 THR 20 11.267 -1.380 -11.392 126 2HG2 THR 20 2HG2 THR 20 10.059 -1.835 -10.191 127 3HG2 THR 20 3HG2 THR 20 10.835 -3.076 -11.176 128 H PHE 21 H PHE 21 11.492 -2.731 -6.164 129 HA PHE 21 HA PHE 21 14.292 -3.473 -5.558 130 1HB PHE 21 2HB PHE 21 13.784 -1.029 -5.389 131 2HB PHE 21 1HB PHE 21 12.598 -1.406 -4.139 132 HD1 PHE 21 1HD PHE 21 16.207 -1.740 -5.023 133 HD2 PHE 21 2HD PHE 21 13.263 -1.771 -1.896 134 HE1 PHE 21 1HE PHE 21 18.013 -1.791 -3.325 135 HE2 PHE 21 2HE PHE 21 15.069 -1.822 -0.197 136 HZ PHE 21 HZ PHE 21 17.444 -1.833 -0.911 137 H VAL 22 H VAL 22 14.684 -4.764 -3.810 138 HA VAL 22 HA VAL 22 12.407 -5.528 -2.104 139 HB VAL 22 HB VAL 22 14.280 -7.670 -3.010 140 1HG1 VAL 22 1HG1 VAL 22 12.402 -9.076 -2.548 141 2HG1 VAL 22 2HG1 VAL 22 11.292 -7.706 -2.542 142 3HG1 VAL 22 3HG1 VAL 22 12.459 -7.901 -1.235 143 1HG2 VAL 22 1HG2 VAL 22 11.999 -6.505 -4.630 144 2HG2 VAL 22 2HG2 VAL 22 12.655 -8.119 -4.907 145 3HG2 VAL 22 3HG2 VAL 22 13.678 -6.701 -5.133 146 H GLY 23 H GLY 23 12.933 -5.499 -0.013 147 1HA GLY 23 2HA GLY 23 15.803 -5.492 0.702 148 2HA GLY 23 1HA GLY 23 14.542 -4.670 1.618 149 H GLU 24 H GLU 24 13.566 -5.732 3.256 150 HA GLU 24 HA GLU 24 13.661 -8.653 3.370 151 1HB GLU 24 2HB GLU 24 15.751 -7.816 4.472 152 2HB GLU 24 1HB GLU 24 14.736 -6.960 5.634 153 1HG GLU 24 2HG GLU 24 13.673 -9.109 6.265 154 2HG GLU 24 1HG GLU 24 14.739 -9.952 5.141 155 H GLU 25 H GLU 25 12.897 -5.796 5.378 156 HA GLU 25 HA GLU 25 10.438 -7.119 6.277 157 1HB GLU 25 2HB GLU 25 11.973 -5.997 7.916 158 2HB GLU 25 1HB GLU 25 11.577 -4.457 7.151 159 1HG GLU 25 2HG GLU 25 10.114 -4.729 9.056 160 2HG GLU 25 1HG GLU 25 9.149 -4.944 7.596 161 H VAL 26 H VAL 26 8.504 -6.646 5.451 162 HA VAL 26 HA VAL 26 8.255 -4.208 3.794 163 HB VAL 26 HB VAL 26 6.526 -6.658 3.509 164 1HG1 VAL 26 1HG1 VAL 26 5.754 -4.573 2.460 165 2HG1 VAL 26 2HG1 VAL 26 6.249 -5.732 1.226 166 3HG1 VAL 26 3HG1 VAL 26 7.311 -4.391 1.653 167 1HG2 VAL 26 1HG2 VAL 26 9.230 -6.069 2.277 168 2HG2 VAL 26 2HG2 VAL 26 8.090 -7.218 1.576 169 3HG2 VAL 26 3HG2 VAL 26 8.751 -7.502 3.185 170 H THR 27 H THR 27 6.637 -2.808 4.228 171 HA THR 27 HA THR 27 4.454 -3.604 6.008 172 HB THR 27 HB THR 27 5.791 -1.044 6.713 173 HG1 THR 27 1HG THR 27 7.588 -2.018 7.124 174 1HG2 THR 27 1HG2 THR 27 4.747 -3.239 8.500 175 2HG2 THR 27 2HG2 THR 27 3.662 -2.082 7.728 176 3HG2 THR 27 3HG2 THR 27 4.897 -1.517 8.853 177 H LYS 28 H LYS 28 2.585 -2.487 5.639 178 HA LYS 28 HA LYS 28 2.566 -0.737 3.303 179 1HB LYS 28 2HB LYS 28 0.122 -0.960 3.440 180 2HB LYS 28 1HB LYS 28 0.901 -2.543 3.466 181 1HG LYS 28 2HG LYS 28 0.768 -2.501 5.972 182 2HG LYS 28 1HG LYS 28 -0.163 -1.007 5.853 183 1HD LYS 28 2HD LYS 28 -1.786 -2.259 4.358 184 2HD LYS 28 1HD LYS 28 -0.927 -3.738 4.791 185 1HE LYS 28 2HE LYS 28 -2.361 -1.849 6.678 186 2HE LYS 28 1HE LYS 28 -2.819 -3.506 6.286 187 1HZ LYS 28 1HZ LYS 28 -0.551 -2.542 7.899 188 2HZ LYS 28 2HZ LYS 28 -0.464 -4.056 7.131 189 3HZ LYS 28 3HZ LYS 28 -1.690 -3.744 8.265 190 H GLY 29 H GLY 29 2.146 1.407 3.331 191 1HA GLY 29 2HA GLY 29 2.300 2.800 5.856 192 2HA GLY 29 1HA GLY 29 2.195 3.536 4.258 193 H PHE 30 H PHE 30 -0.065 2.895 3.173 194 HA PHE 30 HA PHE 30 -2.063 4.122 4.863 195 1HB PHE 30 2HB PHE 30 -2.285 3.011 2.055 196 2HB PHE 30 1HB PHE 30 -3.485 4.019 2.867 197 HD1 PHE 30 1HD PHE 30 -2.940 6.379 3.468 198 HD2 PHE 30 2HD PHE 30 -0.280 3.953 1.126 199 HE1 PHE 30 1HE PHE 30 -1.722 8.414 2.745 200 HE2 PHE 30 2HE PHE 30 0.940 5.989 0.403 201 HZ PHE 30 HZ PHE 30 0.219 8.219 1.213 202 H GLU 31 H GLU 31 -3.478 3.090 6.107 203 HA GLU 31 HA GLU 31 -3.558 0.234 6.246 204 1HB GLU 31 2HB GLU 31 -3.925 1.765 8.196 205 2HB GLU 31 1HB GLU 31 -5.478 2.215 7.488 206 1HG GLU 31 2HG GLU 31 -6.156 -0.177 7.517 207 2HG GLU 31 1HG GLU 31 -4.630 -0.579 8.304 208 H LYS 32 H LYS 32 -5.497 2.695 4.687 209 HA LYS 32 HA LYS 32 -7.794 1.114 4.164 210 1HB LYS 32 2HB LYS 32 -7.581 3.648 3.983 211 2HB LYS 32 1HB LYS 32 -6.791 3.371 2.431 212 1HG LYS 32 2HG LYS 32 -9.055 3.646 1.840 213 2HG LYS 32 1HG LYS 32 -8.857 1.894 1.888 214 1HD LYS 32 2HD LYS 32 -9.903 1.727 4.018 215 2HD LYS 32 1HD LYS 32 -9.779 3.464 4.299 216 1HE LYS 32 2HE LYS 32 -11.381 2.320 2.006 217 2HE LYS 32 1HE LYS 32 -12.086 2.592 3.600 218 1HZ LYS 32 1HZ LYS 32 -10.920 4.592 1.755 219 2HZ LYS 32 2HZ LYS 32 -11.209 4.928 3.395 220 3HZ LYS 32 3HZ LYS 32 -12.501 4.529 2.367 221 H ASP 33 H ASP 33 -8.428 0.053 2.251 222 HA ASP 33 HA ASP 33 -8.127 -1.370 0.474 223 1HB ASP 33 2HB ASP 33 -5.925 0.605 -0.169 224 2HB ASP 33 1HB ASP 33 -6.542 -0.620 -1.278 225 H ASN 34 H ASN 34 -6.086 -2.480 -0.810 226 HA ASN 34 HA ASN 34 -5.048 -4.385 0.907 227 1HB ASN 34 2HB ASN 34 -5.093 -4.410 -1.643 228 2HB ASN 34 1HB ASN 34 -3.612 -3.457 -1.579 229 1HD2 ASN 34 1HD2 ASN 34 -1.678 -4.492 -0.659 230 2HD2 ASN 34 2HD2 ASN 34 -1.591 -6.180 -0.502 231 H GLY 35 H GLY 35 -3.723 -1.249 0.004 232 1HA GLY 35 2HA GLY 35 -2.349 -0.593 2.216 233 2HA GLY 35 1HA GLY 35 -1.235 -1.715 1.439 234 H LEU 36 H LEU 36 -2.417 -0.747 -1.223 235 HA LEU 36 HA LEU 36 -1.851 0.763 -2.857 236 1HB LEU 36 2HB LEU 36 -1.456 2.771 -0.639 237 2HB LEU 36 1HB LEU 36 -1.927 3.074 -2.312 238 HG LEU 36 HG LEU 36 -3.571 1.640 -0.207 239 1HD1 LEU 36 1HD1 LEU 36 -5.154 3.558 -0.746 240 2HD1 LEU 36 2HD1 LEU 36 -3.821 4.301 -1.628 241 3HD1 LEU 36 3HD1 LEU 36 -3.680 4.017 0.107 242 1HD2 LEU 36 1HD2 LEU 36 -4.070 0.524 -2.234 243 2HD2 LEU 36 2HD2 LEU 36 -3.923 2.004 -3.184 244 3HD2 LEU 36 3HD2 LEU 36 -5.312 1.771 -2.123 245 H LEU 37 H LEU 37 0.141 2.110 -0.242 246 HA LEU 37 HA LEU 37 2.519 1.640 -1.920 247 1HB LEU 37 2HB LEU 37 2.054 3.980 -1.245 248 2HB LEU 37 1HB LEU 37 2.178 3.496 0.447 249 HG LEU 37 HG LEU 37 4.503 2.535 -0.251 250 1HD1 LEU 37 1HD1 LEU 37 4.477 4.732 -2.275 251 2HD1 LEU 37 2HD1 LEU 37 3.767 3.185 -2.737 252 3HD1 LEU 37 3HD1 LEU 37 5.453 3.264 -2.226 253 1HD2 LEU 37 1HD2 LEU 37 5.489 4.889 0.001 254 2HD2 LEU 37 2HD2 LEU 37 4.396 4.363 1.280 255 3HD2 LEU 37 3HD2 LEU 37 3.824 5.470 0.033 256 H PHE 38 H PHE 38 3.960 0.152 -1.341 257 HA PHE 38 HA PHE 38 3.774 -1.000 1.369 258 1HB PHE 38 2HB PHE 38 5.077 -2.158 -1.106 259 2HB PHE 38 1HB PHE 38 4.844 -2.976 0.439 260 HD1 PHE 38 1HD PHE 38 3.395 -2.221 -2.753 261 HD2 PHE 38 2HD PHE 38 2.424 -3.211 1.313 262 HE1 PHE 38 1HE PHE 38 1.126 -2.924 -3.466 263 HE2 PHE 38 2HE PHE 38 0.156 -3.915 0.600 264 HZ PHE 38 HZ PHE 38 -0.494 -3.771 -1.789 265 H ARG 39 H ARG 39 5.298 -0.445 2.777 266 HA ARG 39 HA ARG 39 7.649 1.001 1.959 267 1HB ARG 39 2HB ARG 39 6.443 1.472 4.082 268 2HB ARG 39 1HB ARG 39 6.940 -0.111 4.683 269 1HG ARG 39 2HG ARG 39 9.282 0.500 4.521 270 2HG ARG 39 1HG ARG 39 8.870 2.028 3.744 271 1HD ARG 39 2HD ARG 39 9.303 2.493 6.071 272 2HD ARG 39 1HD ARG 39 7.566 2.637 5.812 273 HE ARG 39 HE ARG 39 8.393 0.003 6.672 274 1HH1 ARG 39 1HH2 ARG 39 7.501 3.211 7.611 275 2HH1 ARG 39 2HH2 ARG 39 6.962 2.748 9.191 276 1HH2 ARG 39 1HH1 ARG 39 7.688 -0.613 8.742 277 2HH2 ARG 39 2HH1 ARG 39 7.068 0.582 9.830 278 H ILE 40 H ILE 40 9.516 0.141 1.343 279 HA ILE 40 HA ILE 40 10.075 -2.674 2.040 280 HB ILE 40 HB ILE 40 11.291 -1.013 -0.178 281 1HG1 ILE 40 2HG1 ILE 40 9.166 -3.165 -0.385 282 2HG1 ILE 40 1HG1 ILE 40 8.798 -1.440 -0.384 283 1HG2 ILE 40 1HG2 ILE 40 11.833 -3.380 -1.007 284 2HG2 ILE 40 2HG2 ILE 40 11.413 -3.928 0.616 285 3HG2 ILE 40 3HG2 ILE 40 12.755 -2.807 0.383 286 1HD1 ILE 40 1HD1 ILE 40 9.113 -2.646 -2.677 287 2HD1 ILE 40 2HD1 ILE 40 10.834 -2.554 -2.301 288 3HD1 ILE 40 3HD1 ILE 40 9.879 -1.077 -2.436 289 H VAL 41 H VAL 41 11.753 -3.138 3.323 290 HA VAL 41 HA VAL 41 13.845 -1.095 3.719 291 HB VAL 41 HB VAL 41 12.565 -2.698 5.945 292 1HG1 VAL 41 1HG1 VAL 41 13.845 -0.939 7.304 293 2HG1 VAL 41 2HG1 VAL 41 14.712 -0.574 5.812 294 3HG1 VAL 41 3HG1 VAL 41 14.818 -2.185 6.523 295 1HG2 VAL 41 1HG2 VAL 41 12.302 0.257 5.304 296 2HG2 VAL 41 2HG2 VAL 41 11.510 -0.611 6.619 297 3HG2 VAL 41 3HG2 VAL 41 11.064 -0.947 4.946 298 H ASN 42 H ASN 42 15.853 -1.886 3.596 299 HA ASN 42 HA ASN 42 16.192 -4.823 3.697 300 1HB ASN 42 2HB ASN 42 16.686 -3.494 1.527 301 2HB ASN 42 1HB ASN 42 18.123 -2.932 2.377 302 1HD2 ASN 42 1HD2 ASN 42 16.629 -6.173 2.677 303 2HD2 ASN 42 2HD2 ASN 42 17.964 -7.015 2.053 304 H LYS 43 H LYS 43 16.772 -5.213 5.778 305 HA LYS 43 HA LYS 43 18.179 -3.560 7.505 306 1HB LYS 43 2HB LYS 43 18.135 -6.585 7.375 307 2HB LYS 43 1HB LYS 43 18.754 -5.652 8.739 308 1HG LYS 43 2HG LYS 43 16.511 -4.524 8.900 309 2HG LYS 43 1HG LYS 43 15.919 -5.638 7.665 310 1HD LYS 43 2HD LYS 43 16.587 -7.550 9.129 311 2HD LYS 43 1HD LYS 43 17.038 -6.392 10.381 312 1HE LYS 43 2HE LYS 43 14.278 -6.481 9.142 313 2HE LYS 43 1HE LYS 43 14.702 -7.367 10.608 314 1HZ LYS 43 1HZ LYS 43 15.497 -5.167 11.498 315 2HZ LYS 43 2HZ LYS 43 13.815 -5.327 11.314 316 3HZ LYS 43 3HZ LYS 43 14.715 -4.437 10.180 317 H LYS 44 H LYS 44 19.361 -5.641 4.954 318 HA LYS 44 HA LYS 44 22.020 -5.970 5.635 319 1HB LYS 44 2HB LYS 44 20.864 -6.902 3.603 320 2HB LYS 44 1HB LYS 44 21.035 -5.316 2.852 321 1HG LYS 44 2HG LYS 44 23.440 -5.431 2.980 322 2HG LYS 44 1HG LYS 44 23.368 -6.893 3.965 323 1HD LYS 44 2HD LYS 44 23.880 -7.514 1.665 324 2HD LYS 44 1HD LYS 44 22.253 -8.068 2.061 325 1HE LYS 44 2HE LYS 44 21.232 -6.366 0.798 326 2HE LYS 44 1HE LYS 44 22.687 -5.369 0.793 327 1HZ LYS 44 1HZ LYS 44 23.527 -7.640 -0.388 328 2HZ LYS 44 2HZ LYS 44 23.015 -6.248 -1.217 329 3HZ LYS 44 3HZ LYS 44 21.933 -7.531 -0.956 330 H LYS 45 H LYS 45 20.683 -3.304 3.667 331 HA LYS 45 HA LYS 45 23.055 -1.698 4.394 332 1HB LYS 45 2HB LYS 45 21.164 -1.495 2.040 333 2HB LYS 45 1HB LYS 45 22.427 -0.316 2.398 334 1HG LYS 45 2HG LYS 45 24.111 -2.165 2.316 335 2HG LYS 45 1HG LYS 45 22.825 -3.265 1.816 336 1HD LYS 45 2HD LYS 45 22.378 -1.807 -0.150 337 2HD LYS 45 1HD LYS 45 23.730 -0.780 0.331 338 1HE LYS 45 2HE LYS 45 23.926 -3.733 -0.334 339 2HE LYS 45 1HE LYS 45 24.415 -2.414 -1.397 340 1HZ LYS 45 1HZ LYS 45 25.940 -1.683 0.402 341 2HZ LYS 45 2HZ LYS 45 26.333 -3.197 -0.263 342 3HZ LYS 45 3HZ LYS 45 25.564 -3.104 1.249 343 H LYS 46 H LYS 46 19.900 -2.146 5.244 344 HA LYS 46 HA LYS 46 18.335 -0.889 6.360 345 1HB LYS 46 2HB LYS 46 20.951 0.034 7.216 346 2HB LYS 46 1HB LYS 46 19.752 1.325 7.306 347 1HG LYS 46 2HG LYS 46 19.165 -1.436 8.374 348 2HG LYS 46 1HG LYS 46 19.977 -0.221 9.362 349 1HD LYS 46 2HD LYS 46 18.084 1.342 8.942 350 2HD LYS 46 1HD LYS 46 17.260 0.065 8.048 351 1HE LYS 46 2HE LYS 46 17.899 0.186 10.992 352 2HE LYS 46 1HE LYS 46 16.344 -0.111 10.213 353 1HZ LYS 46 1HZ LYS 46 18.604 -1.936 10.614 354 2HZ LYS 46 2HZ LYS 46 17.620 -2.153 9.245 355 3HZ LYS 46 3HZ LYS 46 16.941 -2.219 10.801 356 H GLN 47 H GLN 47 18.708 -0.364 3.544 357 HA GLN 47 HA GLN 47 18.306 2.538 3.325 358 1HB GLN 47 2HB GLN 47 18.467 2.175 0.906 359 2HB GLN 47 1HB GLN 47 19.855 1.464 1.732 360 1HG GLN 47 2HG GLN 47 18.418 -0.709 1.776 361 2HG GLN 47 1HG GLN 47 17.479 0.078 0.509 362 1HE2 GLN 47 1HE2 GLN 47 19.658 1.459 -0.800 363 2HE2 GLN 47 2HE2 GLN 47 20.653 0.287 -1.519 364 H TRP 48 H TRP 48 16.321 3.359 3.302 365 HA TRP 48 HA TRP 48 14.014 1.608 3.109 366 1HB TRP 48 2HB TRP 48 14.317 4.576 3.593 367 2HB TRP 48 1HB TRP 48 12.755 3.765 3.496 368 HD1 TRP 48 HD TRP 48 15.329 1.568 4.990 369 HE1 TRP 48 1HE TRP 48 15.035 1.446 7.549 370 HE3 TRP 48 3HE TRP 48 12.031 5.406 5.685 371 HZ2 TRP 48 2HZ TRP 48 13.591 2.796 9.616 372 HZ3 TRP 48 3HZ TRP 48 11.213 5.965 7.956 373 HH2 TRP 48 HH TRP 48 11.989 4.666 9.922 374 H ALA 49 H ALA 49 12.487 1.597 1.498 375 HA ALA 49 HA ALA 49 12.828 3.384 -0.800 376 1HB ALA 49 1HB ALA 49 13.021 0.374 -0.906 377 2HB ALA 49 2HB ALA 49 14.160 1.562 -1.538 378 3HB ALA 49 3HB ALA 49 12.593 1.340 -2.318 379 H TYR 50 H TYR 50 10.959 3.527 -2.133 380 HA TYR 50 HA TYR 50 8.532 2.273 -1.009 381 1HB TYR 50 2HB TYR 50 8.946 5.165 -1.776 382 2HB TYR 50 1HB TYR 50 7.351 4.444 -1.551 383 HD1 TYR 50 1HD TYR 50 10.128 5.996 0.074 384 HD2 TYR 50 2HD TYR 50 6.935 3.190 0.691 385 HE1 TYR 50 1HE TYR 50 10.336 6.298 2.527 386 HE2 TYR 50 2HE TYR 50 7.144 3.492 3.143 387 HH TYR 50 HH TYR 50 9.632 4.581 4.654 388 H TYR 51 H TYR 51 7.064 1.541 -2.467 389 HA TYR 51 HA TYR 51 7.639 2.039 -5.326 390 1HB TYR 51 2HB TYR 51 8.221 -0.228 -4.950 391 2HB TYR 51 1HB TYR 51 6.818 -0.497 -3.914 392 HD1 TYR 51 1HD TYR 51 4.953 -1.540 -4.840 393 HD2 TYR 51 2HD TYR 51 7.620 0.645 -7.400 394 HE1 TYR 51 1HE TYR 51 3.624 -2.234 -6.815 395 HE2 TYR 51 2HE TYR 51 6.291 -0.049 -9.377 396 HH TYR 51 HH TYR 51 4.672 -1.439 -10.106 397 H ASN 52 H ASN 52 6.063 3.139 -6.284 398 HA ASN 52 HA ASN 52 3.466 3.416 -5.034 399 1HB ASN 52 2HB ASN 52 4.542 5.344 -6.110 400 2HB ASN 52 1HB ASN 52 4.519 4.499 -7.657 401 1HD2 ASN 52 1HD2 ASN 52 3.169 6.947 -7.489 402 2HD2 ASN 52 2HD2 ASN 52 1.493 6.678 -7.523 403 H ASP 53 H ASP 53 1.604 2.450 -5.610 404 HA ASP 53 HA ASP 53 1.704 0.568 -7.890 405 1HB ASP 53 2HB ASP 53 0.185 -0.845 -6.723 406 2HB ASP 53 1HB ASP 53 1.417 -0.383 -5.549 407 H THR 54 H THR 54 -0.321 2.892 -6.141 408 HA THR 54 HA THR 54 -2.610 2.761 -7.749 409 HB THR 54 HB THR 54 -2.909 5.196 -6.991 410 HG1 THR 54 1HG THR 54 -1.149 6.055 -6.270 411 1HG2 THR 54 1HG2 THR 54 -3.961 3.400 -5.778 412 2HG2 THR 54 2HG2 THR 54 -3.204 4.464 -4.593 413 3HG2 THR 54 3HG2 THR 54 -2.431 2.940 -5.030 414 H THR 55 H THR 55 -2.649 2.959 -9.895 415 HA THR 55 HA THR 55 -0.685 4.546 -11.311 416 HB THR 55 HB THR 55 -1.865 3.753 -13.330 417 HG1 THR 55 1HG THR 55 -3.583 2.200 -12.882 418 1HG2 THR 55 1HG2 THR 55 -0.154 2.340 -12.188 419 2HG2 THR 55 2HG2 THR 55 -1.366 1.387 -13.043 420 3HG2 THR 55 3HG2 THR 55 -1.450 1.552 -11.289 421 H GLN 56 H GLN 56 -3.530 5.253 -9.741 422 HA GLN 56 HA GLN 56 -4.359 7.348 -11.621 423 1HB GLN 56 2HB GLN 56 -6.107 5.933 -10.609 424 2HB GLN 56 1HB GLN 56 -5.599 6.463 -9.005 425 1HG GLN 56 2HG GLN 56 -6.172 8.765 -9.525 426 2HG GLN 56 1HG GLN 56 -6.533 8.336 -11.197 427 1HE2 GLN 56 1HE2 GLN 56 -8.608 9.538 -9.889 428 2HE2 GLN 56 2HE2 GLN 56 -9.794 8.406 -9.446 429 H TYR 57 H TYR 57 -3.290 6.968 -8.250 430 HA TYR 57 HA TYR 57 -2.674 9.862 -8.208 431 1HB TYR 57 2HB TYR 57 -2.897 8.254 -5.696 432 2HB TYR 57 1HB TYR 57 -3.250 9.960 -5.973 433 HD1 TYR 57 1HD TYR 57 -4.545 6.541 -6.133 434 HD2 TYR 57 2HD TYR 57 -5.348 10.649 -7.099 435 HE1 TYR 57 1HE TYR 57 -6.939 5.993 -6.477 436 HE2 TYR 57 2HE TYR 57 -7.742 10.100 -7.443 437 HH TYR 57 HH TYR 57 -8.878 6.987 -7.810 438 H GLU 58 H GLU 58 -0.718 10.525 -7.209 439 HA GLU 58 HA GLU 58 1.424 8.541 -7.433 440 1HB GLU 58 2HB GLU 58 2.713 10.834 -6.835 441 2HB GLU 58 1HB GLU 58 2.240 10.398 -8.478 442 1HG GLU 58 2HG GLU 58 0.164 11.673 -8.251 443 2HG GLU 58 1HG GLU 58 0.559 12.057 -6.577 444 H MET 59 H MET 59 2.934 8.164 -5.767 445 HA MET 59 HA MET 59 1.789 8.462 -3.088 446 1HB MET 59 2HB MET 59 3.830 6.678 -4.344 447 2HB MET 59 1HB MET 59 3.917 6.965 -2.606 448 1HG MET 59 2HG MET 59 2.480 4.970 -3.425 449 2HG MET 59 1HG MET 59 1.774 6.053 -2.225 450 1HE MET 59 1HE MET 59 -0.457 4.716 -3.125 451 2HE MET 59 2HE MET 59 -1.525 5.933 -3.819 452 3HE MET 59 3HE MET 59 -0.567 6.322 -2.391 453 H HIS 60 H HIS 60 2.403 10.083 -1.824 454 HA HIS 60 HA HIS 60 5.056 11.308 -2.270 455 1HB HIS 60 2HB HIS 60 2.552 12.444 -1.000 456 2HB HIS 60 1HB HIS 60 4.102 13.281 -1.083 457 HD1 HIS 60 1HD HIS 60 4.532 14.604 -3.163 458 HD2 HIS 60 2HD HIS 60 1.531 11.767 -3.732 459 HE1 HIS 60 1HE HIS 60 3.616 14.986 -5.493 460 HE2 HIS 60 2HE HIS 60 1.785 13.264 -5.855 461 H VAL 61 H VAL 61 6.567 10.935 -0.782 462 HA VAL 61 HA VAL 61 5.727 9.865 1.833 463 HB VAL 61 HB VAL 61 8.368 9.710 0.364 464 1HG1 VAL 61 1HG1 VAL 61 7.523 8.798 3.122 465 2HG1 VAL 61 2HG1 VAL 61 8.893 9.823 2.694 466 3HG1 VAL 61 3HG1 VAL 61 8.910 8.108 2.281 467 1HG2 VAL 61 1HG2 VAL 61 6.386 8.269 -0.376 468 2HG2 VAL 61 2HG2 VAL 61 6.488 7.490 1.203 469 3HG2 VAL 61 3HG2 VAL 61 7.847 7.392 0.081 470 H LEU 62 H LEU 62 6.118 10.943 3.671 471 HA LEU 62 HA LEU 62 8.094 13.112 3.696 472 1HB LEU 62 2HB LEU 62 5.914 14.160 3.143 473 2HB LEU 62 1HB LEU 62 5.235 13.480 4.622 474 HG LEU 62 HG LEU 62 7.130 14.666 5.867 475 1HD1 LEU 62 1HD1 LEU 62 7.871 16.757 4.497 476 2HD1 LEU 62 2HD1 LEU 62 7.432 15.791 3.089 477 3HD1 LEU 62 3HD1 LEU 62 8.685 15.223 4.194 478 1HD2 LEU 62 1HD2 LEU 62 5.930 16.824 5.847 479 2HD2 LEU 62 2HD2 LEU 62 4.792 15.478 5.854 480 3HD2 LEU 62 3HD2 LEU 62 5.108 16.357 4.359 481 H VAL 63 H VAL 63 9.368 11.876 5.078 482 HA VAL 63 HA VAL 63 8.175 11.226 7.705 483 HB VAL 63 HB VAL 63 10.636 10.038 6.402 484 1HG1 VAL 63 1HG1 VAL 63 10.434 8.385 8.248 485 2HG1 VAL 63 2HG1 VAL 63 9.105 9.329 8.924 486 3HG1 VAL 63 3HG1 VAL 63 10.728 10.016 8.852 487 1HG2 VAL 63 1HG2 VAL 63 7.986 8.675 6.898 488 2HG2 VAL 63 2HG2 VAL 63 9.309 8.149 5.858 489 3HG2 VAL 63 3HG2 VAL 63 8.313 9.527 5.390 490 H THR 64 H THR 64 9.020 12.104 9.513 491 HA THR 64 HA THR 64 11.358 13.884 9.186 492 HB THR 64 HB THR 64 9.103 14.024 11.202 493 HG1 THR 64 1HG THR 64 8.391 14.725 9.240 494 1HG2 THR 64 1HG2 THR 64 11.048 14.899 12.251 495 2HG2 THR 64 2HG2 THR 64 10.197 16.307 11.616 496 3HG2 THR 64 3HG2 THR 64 11.599 15.665 10.761 497 H PHE 65 H PHE 65 13.101 13.632 10.498 498 HA PHE 65 HA PHE 65 12.940 11.502 12.546 499 1HB PHE 65 2HB PHE 65 15.505 12.187 11.156 500 2HB PHE 65 1HB PHE 65 15.012 10.670 11.911 501 HD1 PHE 65 1HD PHE 65 13.574 9.084 10.746 502 HD2 PHE 65 2HD PHE 65 14.706 12.803 8.918 503 HE1 PHE 65 1HE PHE 65 12.767 8.253 8.553 504 HE2 PHE 65 2HE PHE 65 13.900 11.972 6.726 505 HZ PHE 65 HZ PHE 65 12.931 9.696 6.543 506 H ASN 66 H ASN 66 14.679 11.700 14.228 507 HA ASN 66 HA ASN 66 14.707 14.432 15.233 508 1HB ASN 66 2HB ASN 66 14.220 12.356 16.638 509 2HB ASN 66 1HB ASN 66 15.945 12.009 16.536 510 1HD2 ASN 66 1HD2 ASN 66 17.150 12.894 18.215 511 2HD2 ASN 66 2HD2 ASN 66 16.707 14.263 19.115 512 H GLU 67 H GLU 67 16.611 15.540 15.865 513 HA GLU 67 HA GLU 67 18.656 15.694 14.034 514 1HB GLU 67 2HB GLU 67 18.495 17.470 15.570 515 2HB GLU 67 1HB GLU 67 18.556 16.389 16.962 516 1HG GLU 67 2HG GLU 67 20.864 15.988 16.704 517 2HG GLU 67 1HG GLU 67 20.865 16.555 15.034 518 H ASP 68 H ASP 68 18.563 13.757 17.008 519 HA ASP 68 HA ASP 68 21.188 12.635 16.522 520 1HB ASP 68 2HB ASP 68 19.043 11.986 18.554 521 2HB ASP 68 1HB ASP 68 20.627 11.217 18.507 522 H CYS 69 H CYS 69 20.543 11.880 14.315 523 HA CYS 69 HA CYS 69 19.794 9.074 14.467 524 1HB CYS 69 2HB CYS 69 18.263 10.936 12.639 525 2HB CYS 69 1HB CYS 69 18.010 9.203 12.849 526 HG CYS 69 HG CYS 69 16.303 10.593 14.360 527 H ASP 70 H ASP 70 21.351 8.084 13.366 528 HA ASP 70 HA ASP 70 22.948 9.461 11.405 529 1HB ASP 70 2HB ASP 70 23.776 7.668 13.000 530 2HB ASP 70 1HB ASP 70 22.933 6.497 11.988 531 H ILE 71 H ILE 71 21.263 10.021 9.884 532 HA ILE 71 HA ILE 71 20.539 7.755 8.126 533 HB ILE 71 HB ILE 71 18.460 8.975 7.574 534 1HG1 ILE 71 2HG1 ILE 71 19.380 10.842 9.786 535 2HG1 ILE 71 1HG1 ILE 71 19.276 11.251 8.074 536 1HG2 ILE 71 1HG2 ILE 71 18.816 8.582 10.561 537 2HG2 ILE 71 2HG2 ILE 71 18.542 7.273 9.412 538 3HG2 ILE 71 3HG2 ILE 71 17.301 8.500 9.662 539 1HD1 ILE 71 1HD1 ILE 71 17.261 12.082 9.027 540 2HD1 ILE 71 2HD1 ILE 71 17.016 10.616 9.976 541 3HD1 ILE 71 3HD1 ILE 71 16.803 10.580 8.226 542 H LYS 72 H LYS 72 20.237 8.346 5.858 543 HA LYS 72 HA LYS 72 21.531 10.848 5.029 544 1HB LYS 72 2HB LYS 72 23.194 8.867 5.188 545 2HB LYS 72 1HB LYS 72 22.367 8.255 3.756 546 1HG LYS 72 2HG LYS 72 22.834 11.005 3.284 547 2HG LYS 72 1HG LYS 72 24.336 10.352 3.936 548 1HD LYS 72 2HD LYS 72 22.813 8.949 1.736 549 2HD LYS 72 1HD LYS 72 24.017 10.191 1.389 550 1HE LYS 72 2HE LYS 72 24.707 7.627 1.537 551 2HE LYS 72 1HE LYS 72 25.780 8.891 2.140 552 1HZ LYS 72 1HZ LYS 72 23.868 7.274 3.734 553 2HZ LYS 72 2HZ LYS 72 24.756 8.586 4.346 554 3HZ LYS 72 3HZ LYS 72 25.561 7.195 3.794 555 H ALA 73 H ALA 73 21.293 11.213 2.660 556 HA ALA 73 HA ALA 73 18.625 10.342 1.810 557 1HB ALA 73 1HB ALA 73 18.459 12.328 0.725 558 2HB ALA 73 2HB ALA 73 20.119 12.258 0.134 559 3HB ALA 73 3HB ALA 73 19.790 12.803 1.779 560 H LEU 74 H LEU 74 18.234 9.205 -0.045 561 HA LEU 74 HA LEU 74 20.594 7.989 -1.322 562 1HB LEU 74 2HB LEU 74 17.697 7.105 -1.299 563 2HB LEU 74 1HB LEU 74 19.024 6.241 -2.078 564 HG LEU 74 HG LEU 74 18.956 6.923 0.874 565 1HD1 LEU 74 1HD1 LEU 74 17.174 5.276 0.027 566 2HD1 LEU 74 2HD1 LEU 74 18.240 4.695 1.307 567 3HD1 LEU 74 3HD1 LEU 74 18.516 4.201 -0.363 568 1HD2 LEU 74 1HD2 LEU 74 20.824 5.457 -0.963 569 2HD2 LEU 74 2HD2 LEU 74 20.688 4.929 0.715 570 3HD2 LEU 74 3HD2 LEU 74 21.200 6.576 0.347 571 H GLY 75 H GLY 75 17.558 7.794 -2.917 572 1HA GLY 75 2HA GLY 75 18.516 8.735 -5.373 573 2HA GLY 75 1HA GLY 75 16.815 8.572 -4.950 574 H LYS 76 H LYS 76 16.275 10.485 -6.069 575 HA LYS 76 HA LYS 76 17.515 12.990 -5.676 576 1HB LYS 76 2HB LYS 76 15.363 13.913 -6.583 577 2HB LYS 76 1HB LYS 76 16.079 12.648 -7.583 578 1HG LYS 76 2HG LYS 76 14.359 11.213 -7.209 579 2HG LYS 76 1HG LYS 76 14.255 11.640 -5.501 580 1HD LYS 76 2HD LYS 76 12.213 12.387 -6.524 581 2HD LYS 76 1HD LYS 76 13.186 13.826 -6.222 582 1HE LYS 76 2HE LYS 76 14.085 13.412 -8.646 583 2HE LYS 76 1HE LYS 76 12.624 12.442 -8.831 584 1HZ LYS 76 1HZ LYS 76 12.700 15.276 -7.945 585 2HZ LYS 76 2HZ LYS 76 11.302 14.338 -8.174 586 3HZ LYS 76 3HZ LYS 76 12.280 14.748 -9.502 587 H THR 77 H THR 77 16.001 11.145 -3.433 588 HA THR 77 HA THR 77 14.191 12.684 -2.053 589 HB THR 77 HB THR 77 16.407 11.030 -0.818 590 HG1 THR 77 1HG THR 77 15.261 9.784 -2.243 591 1HG2 THR 77 1HG2 THR 77 15.277 12.408 0.833 592 2HG2 THR 77 2HG2 THR 77 14.718 10.744 1.006 593 3HG2 THR 77 3HG2 THR 77 13.700 11.936 0.197 594 H LYS 78 H LYS 78 14.302 14.752 -1.474 595 HA LYS 78 HA LYS 78 16.827 16.095 -1.085 596 1HB LYS 78 2HB LYS 78 14.751 17.138 -2.105 597 2HB LYS 78 1HB LYS 78 14.072 17.174 -0.478 598 1HG LYS 78 2HG LYS 78 15.065 19.268 -0.548 599 2HG LYS 78 1HG LYS 78 16.397 18.312 0.106 600 1HD LYS 78 2HD LYS 78 17.488 19.393 -1.630 601 2HD LYS 78 1HD LYS 78 16.946 17.935 -2.462 602 1HE LYS 78 2HE LYS 78 14.825 19.255 -3.054 603 2HE LYS 78 1HE LYS 78 15.708 20.690 -2.536 604 1HZ LYS 78 1HZ LYS 78 16.884 18.804 -4.477 605 2HZ LYS 78 2HZ LYS 78 17.268 20.437 -4.212 606 3HZ LYS 78 3HZ LYS 78 15.816 20.019 -4.988 607 H LEU 79 H LEU 79 17.934 16.096 0.753 608 HA LEU 79 HA LEU 79 16.468 15.655 3.284 609 1HB LEU 79 2HB LEU 79 17.990 13.824 2.813 610 2HB LEU 79 1HB LEU 79 19.317 14.953 2.542 611 HG LEU 79 HG LEU 79 19.195 15.703 4.868 612 1HD1 LEU 79 1HD1 LEU 79 16.756 13.949 4.852 613 2HD1 LEU 79 2HD1 LEU 79 16.959 15.569 5.520 614 3HD1 LEU 79 3HD1 LEU 79 17.649 14.178 6.356 615 1HD2 LEU 79 1HD2 LEU 79 19.311 12.713 4.421 616 2HD2 LEU 79 2HD2 LEU 79 19.692 13.444 5.979 617 3HD2 LEU 79 3HD2 LEU 79 20.658 13.841 4.558 618 H GLU 80 H GLU 80 16.547 17.210 4.783 619 HA GLU 80 HA GLU 80 18.781 19.070 4.898 620 1HB GLU 80 2HB GLU 80 17.249 21.055 4.806 621 2HB GLU 80 1HB GLU 80 17.404 20.201 3.270 622 1HG GLU 80 2HG GLU 80 15.311 18.950 3.797 623 2HG GLU 80 1HG GLU 80 15.137 19.916 5.261 624 H GLN 81 H GLN 81 18.804 20.321 6.846 625 HA GLN 81 HA GLN 81 17.164 19.107 8.980 626 1HB GLN 81 2HB GLN 81 19.652 18.869 9.141 627 2HB GLN 81 1HB GLN 81 19.768 20.625 9.255 628 1HG GLN 81 2HG GLN 81 18.383 20.616 11.273 629 2HG GLN 81 1HG GLN 81 18.176 18.870 11.145 630 1HE2 GLN 81 1HE2 GLN 81 19.299 19.777 13.503 631 2HE2 GLN 81 2HE2 GLN 81 20.962 19.439 13.537 632 H GLN 82 H GLN 82 16.220 20.430 10.569 633 HA GLN 82 HA GLN 82 15.689 23.177 9.650 634 1HB GLN 82 2HB GLN 82 14.187 21.850 11.878 635 2HB GLN 82 1HB GLN 82 13.629 23.052 10.714 636 1HG GLN 82 2HG GLN 82 14.228 20.133 10.164 637 2HG GLN 82 1HG GLN 82 12.646 20.914 10.129 638 1HE2 GLN 82 1HE2 GLN 82 14.823 19.711 8.031 639 2HE2 GLN 82 2HE2 GLN 82 14.654 20.803 6.743 640 H GLU 83 H GLU 83 15.079 24.621 11.691 641 HA GLU 83 HA GLU 83 17.538 24.999 13.112 642 1HB GLU 83 2HB GLU 83 14.843 26.322 13.510 643 2HB GLU 83 1HB GLU 83 16.379 26.886 14.170 644 1HG GLU 83 2HG GLU 83 15.807 26.548 11.212 645 2HG GLU 83 1HG GLU 83 15.726 28.083 12.074 646 H ASN 84 H ASN 84 14.304 23.834 13.970 647 HA ASN 84 HA ASN 84 14.644 23.647 16.744 648 1HB ASN 84 2HB ASN 84 12.958 21.644 16.381 649 2HB ASN 84 1HB ASN 84 12.450 23.310 16.112 650 1HD2 ASN 84 1HD2 ASN 84 13.718 20.439 14.359 651 2HD2 ASN 84 2HD2 ASN 84 13.002 20.846 12.875 652 H GLY 85 H GLY 85 15.854 21.667 14.156 653 1HA GLY 85 2HA GLY 85 17.806 20.308 14.499 654 2HA GLY 85 1HA GLY 85 17.261 20.008 16.146 655 H GLU 86 H GLU 86 15.761 19.700 12.919 656 HA GLU 86 HA GLU 86 15.352 16.831 13.448 657 1HB GLU 86 2HB GLU 86 13.272 18.907 12.942 658 2HB GLU 86 1HB GLU 86 13.053 17.324 12.196 659 1HG GLU 86 2HG GLU 86 11.976 17.311 14.374 660 2HG GLU 86 1HG GLU 86 13.400 16.275 14.441 661 H TRP 87 H TRP 87 15.203 15.533 11.586 662 HA TRP 87 HA TRP 87 16.282 16.817 9.161 663 1HB TRP 87 2HB TRP 87 16.348 13.969 10.164 664 2HB TRP 87 1HB TRP 87 16.821 14.414 8.524 665 HD1 TRP 87 HD TRP 87 17.982 14.513 12.105 666 HE1 TRP 87 1HE TRP 87 20.371 15.477 12.211 667 HE3 TRP 87 3HE TRP 87 18.485 16.154 7.295 668 HZ2 TRP 87 2HZ TRP 87 22.246 16.775 10.484 669 HZ3 TRP 87 3HZ TRP 87 20.579 17.251 6.554 670 HH2 TRP 87 HH TRP 87 22.460 17.561 8.139 671 H VAL 88 H VAL 88 15.166 16.823 7.289 672 HA VAL 88 HA VAL 88 12.589 15.367 7.239 673 HB VAL 88 HB VAL 88 13.298 18.059 6.051 674 1HG1 VAL 88 1HG1 VAL 88 11.866 16.995 4.468 675 2HG1 VAL 88 2HG1 VAL 88 10.805 18.009 5.449 676 3HG1 VAL 88 3HG1 VAL 88 10.880 16.270 5.739 677 1HG2 VAL 88 1HG2 VAL 88 12.779 17.922 8.522 678 2HG2 VAL 88 2HG2 VAL 88 11.192 17.285 8.091 679 3HG2 VAL 88 3HG2 VAL 88 11.650 18.916 7.603 680 H ALA 89 H ALA 89 12.102 14.182 5.452 681 HA ALA 89 HA ALA 89 13.829 14.384 3.087 682 1HB ALA 89 1HB ALA 89 14.265 12.001 3.041 683 2HB ALA 89 2HB ALA 89 13.289 11.755 4.488 684 3HB ALA 89 3HB ALA 89 14.809 12.644 4.591 685 H SER 90 H SER 90 12.326 14.890 1.603 686 HA SER 90 HA SER 90 9.881 13.227 1.497 687 1HB SER 90 2HB SER 90 8.680 15.113 0.628 688 2HB SER 90 1HB SER 90 9.532 15.659 2.070 689 HG SER 90 HG SER 90 11.130 16.526 0.728 690 H VAL 91 H VAL 91 9.210 12.466 -0.498 691 HA VAL 91 HA VAL 91 10.543 13.217 -2.940 692 HB VAL 91 HB VAL 91 12.157 11.626 -1.783 693 1HG1 VAL 91 1HG1 VAL 91 10.127 9.533 -2.584 694 2HG1 VAL 91 2HG1 VAL 91 10.218 10.172 -0.942 695 3HG1 VAL 91 3HG1 VAL 91 11.597 9.315 -1.633 696 1HG2 VAL 91 1HG2 VAL 91 10.931 10.993 -4.480 697 2HG2 VAL 91 2HG2 VAL 91 12.405 10.218 -3.897 698 3HG2 VAL 91 3HG2 VAL 91 12.366 11.964 -4.149 699 H VAL 92 H VAL 92 9.447 12.497 -4.765 700 HA VAL 92 HA VAL 92 6.845 11.221 -4.211 701 HB VAL 92 HB VAL 92 7.688 12.834 -6.629 702 1HG1 VAL 92 1HG1 VAL 92 4.977 11.897 -5.637 703 2HG1 VAL 92 2HG1 VAL 92 5.844 11.240 -7.025 704 3HG1 VAL 92 3HG1 VAL 92 5.257 12.903 -7.058 705 1HG2 VAL 92 1HG2 VAL 92 6.228 13.588 -4.085 706 2HG2 VAL 92 2HG2 VAL 92 6.147 14.558 -5.556 707 3HG2 VAL 92 3HG2 VAL 92 7.693 14.318 -4.742 708 H VAL 93 H VAL 93 6.288 9.336 -5.154 709 HA VAL 93 HA VAL 93 8.225 8.145 -7.049 710 HB VAL 93 HB VAL 93 6.437 6.662 -5.110 711 1HG1 VAL 93 1HG1 VAL 93 7.113 5.411 -7.131 712 2HG1 VAL 93 2HG1 VAL 93 7.902 4.765 -5.692 713 3HG1 VAL 93 3HG1 VAL 93 8.802 5.798 -6.804 714 1HG2 VAL 93 1HG2 VAL 93 8.434 6.335 -3.752 715 2HG2 VAL 93 2HG2 VAL 93 8.177 8.066 -3.973 716 3HG2 VAL 93 3HG2 VAL 93 9.412 7.231 -4.915 717 H TYR 94 H TYR 94 7.462 7.444 -8.961 718 HA TYR 94 HA TYR 94 4.641 7.908 -9.552 719 1HB TYR 94 2HB TYR 94 7.006 7.206 -11.304 720 2HB TYR 94 1HB TYR 94 5.364 7.435 -11.907 721 HD1 TYR 94 1HD TYR 94 8.418 9.053 -11.394 722 HD2 TYR 94 2HD TYR 94 4.192 9.671 -10.925 723 HE1 TYR 94 1HE TYR 94 8.776 11.507 -11.404 724 HE2 TYR 94 2HE TYR 94 4.552 12.125 -10.931 725 HH TYR 94 HH TYR 94 6.230 13.738 -10.597 726 HA PRO 95 HA PRO 95 2.998 3.892 -9.217 727 1HB PRO 95 2HB PRO 95 2.349 4.083 -12.135 728 2HB PRO 95 1HB PRO 95 1.302 3.637 -10.775 729 1HG PRO 95 2HG PRO 95 1.220 6.060 -11.941 730 2HG PRO 95 1HG PRO 95 0.866 5.803 -10.224 731 1HD PRO 95 2HD PRO 95 3.205 7.108 -11.458 732 2HD PRO 95 1HD PRO 95 2.607 7.214 -9.788 733 H CYS 96 H CYS 96 4.044 3.907 -12.616 734 HA CYS 96 HA CYS 96 5.322 1.333 -12.288 735 1HB CYS 96 2HB CYS 96 4.057 1.945 -14.344 736 2HB CYS 96 1HB CYS 96 5.279 3.166 -14.699 737 HG CYS 96 HG CYS 96 5.584 0.188 -15.194 738 H GLU 97 H GLU 97 6.578 3.078 -10.608 739 HA GLU 97 HA GLU 97 9.287 2.990 -11.622 740 1HB GLU 97 2HB GLU 97 8.007 5.300 -12.187 741 2HB GLU 97 1HB GLU 97 8.597 5.671 -10.566 742 1HG GLU 97 2HG GLU 97 10.276 4.699 -12.897 743 2HG GLU 97 1HG GLU 97 10.267 6.332 -12.233 744 H THR 98 H THR 98 10.824 3.018 -9.982 745 HA THR 98 HA THR 98 9.804 3.290 -7.223 746 HB THR 98 HB THR 98 11.823 1.194 -8.009 747 HG1 THR 98 1HG THR 98 9.684 -0.073 -7.605 748 1HG2 THR 98 1HG2 THR 98 10.994 0.180 -5.881 749 2HG2 THR 98 2HG2 THR 98 9.972 1.597 -5.644 750 3HG2 THR 98 3HG2 THR 98 11.727 1.766 -5.647 751 H GLU 99 H GLU 99 11.071 4.453 -5.888 752 HA GLU 99 HA GLU 99 13.798 5.127 -6.812 753 1HB GLU 99 2HB GLU 99 11.861 7.038 -5.484 754 2HB GLU 99 1HB GLU 99 13.476 7.417 -6.083 755 1HG GLU 99 2HG GLU 99 12.735 6.766 -8.376 756 2HG GLU 99 1HG GLU 99 11.105 6.524 -7.748 757 H MET 100 H MET 100 15.283 5.726 -5.123 758 HA MET 100 HA MET 100 14.857 4.198 -2.693 759 1HB MET 100 2HB MET 100 17.222 5.893 -3.528 760 2HB MET 100 1HB MET 100 17.187 4.724 -2.207 761 1HG MET 100 2HG MET 100 16.742 4.076 -5.136 762 2HG MET 100 1HG MET 100 18.217 3.747 -4.229 763 1HE MET 100 1HE MET 100 18.341 2.667 -2.170 764 2HE MET 100 2HE MET 100 17.567 1.127 -1.806 765 3HE MET 100 3HE MET 100 16.839 2.626 -1.236 766 H PHE 101 H PHE 101 14.802 5.017 -0.604 767 HA PHE 101 HA PHE 101 13.981 7.838 -0.430 768 1HB PHE 101 2HB PHE 101 12.420 6.100 0.428 769 2HB PHE 101 1HB PHE 101 13.646 5.618 1.602 770 HD1 PHE 101 1HD PHE 101 12.710 9.030 0.386 771 HD2 PHE 101 2HD PHE 101 12.762 6.281 3.685 772 HE1 PHE 101 1HE PHE 101 11.879 10.819 1.890 773 HE2 PHE 101 2HE PHE 101 11.953 8.076 5.194 774 HZ PHE 101 HZ PHE 101 11.505 10.342 4.295 775 H ILE 102 H ILE 102 14.904 6.313 2.478 776 HA ILE 102 HA ILE 102 17.510 7.709 2.464 777 HB ILE 102 HB ILE 102 17.143 8.464 4.717 778 1HG1 ILE 102 2HG1 ILE 102 14.720 8.003 5.638 779 2HG1 ILE 102 1HG1 ILE 102 14.767 6.629 4.533 780 1HG2 ILE 102 1HG2 ILE 102 15.333 10.019 4.370 781 2HG2 ILE 102 2HG2 ILE 102 14.574 8.955 3.186 782 3HG2 ILE 102 3HG2 ILE 102 16.101 9.752 2.804 783 1HD1 ILE 102 1HD1 ILE 102 15.855 6.727 7.113 784 2HD1 ILE 102 2HD1 ILE 102 17.245 6.849 6.035 785 3HD1 ILE 102 3HD1 ILE 102 16.142 5.480 5.900 786 H GLU 103 H GLU 103 19.039 6.873 4.077 787 HA GLU 103 HA GLU 103 18.510 4.085 4.883 788 1HB GLU 103 2HB GLU 103 20.658 3.361 4.084 789 2HB GLU 103 1HB GLU 103 19.846 4.177 2.749 790 1HG GLU 103 2HG GLU 103 21.955 5.165 2.672 791 2HG GLU 103 1HG GLU 103 21.071 6.309 3.680 792 H GLY 104 H GLY 104 20.610 3.371 6.231 793 1HA GLY 104 2HA GLY 104 22.216 3.995 7.886 794 2HA GLY 104 1HA GLY 104 21.439 5.570 8.003 795 H ARG 105 H ARG 105 21.436 5.212 10.325 796 HA ARG 105 HA ARG 105 19.589 3.155 11.307 797 1HB ARG 105 2HB ARG 105 21.814 3.506 12.410 798 2HB ARG 105 1HB ARG 105 21.265 5.111 12.895 799 1HG ARG 105 2HG ARG 105 19.430 4.154 14.171 800 2HG ARG 105 1HG ARG 105 19.824 2.536 13.590 801 1HD ARG 105 2HD ARG 105 20.773 2.716 15.783 802 2HD ARG 105 1HD ARG 105 22.112 2.834 14.645 803 HE ARG 105 HE ARG 105 21.047 4.993 16.308 804 1HH1 ARG 105 1HH2 ARG 105 23.086 3.953 13.712 805 2HH1 ARG 105 2HH2 ARG 105 24.100 5.357 13.763 806 1HH2 ARG 105 1HH1 ARG 105 22.376 6.833 16.384 807 2HH2 ARG 105 2HH1 ARG 105 23.696 6.988 15.274 808 H VAL 106 H VAL 106 17.693 3.617 12.383 809 HA VAL 106 HA VAL 106 16.868 6.455 12.458 810 HB VAL 106 HB VAL 106 14.979 4.209 11.769 811 1HG1 VAL 106 1HG1 VAL 106 14.230 6.527 12.607 812 2HG1 VAL 106 2HG1 VAL 106 13.527 5.963 11.092 813 3HG1 VAL 106 3HG1 VAL 106 14.835 7.145 11.070 814 1HG2 VAL 106 1HG2 VAL 106 16.738 5.884 9.962 815 2HG2 VAL 106 2HG2 VAL 106 15.262 5.110 9.386 816 3HG2 VAL 106 3HG2 VAL 106 16.589 4.128 10.003 817 H ASN 107 H ASN 107 15.852 7.103 14.275 818 HA ASN 107 HA ASN 107 14.901 5.068 16.180 819 1HB ASN 107 2HB ASN 107 16.103 5.962 17.994 820 2HB ASN 107 1HB ASN 107 17.285 5.913 16.687 821 1HD2 ASN 107 1HD2 ASN 107 18.209 7.897 16.031 822 2HD2 ASN 107 2HD2 ASN 107 17.725 9.408 16.634 823 H GLY 108 H GLY 108 12.881 5.527 16.758 824 1HA GLY 108 2HA GLY 108 10.888 6.695 16.919 825 2HA GLY 108 1HA GLY 108 11.875 7.820 17.848 826 H PHE 109 H PHE 109 10.305 7.212 14.820 827 HA PHE 109 HA PHE 109 10.950 9.966 13.974 828 1HB PHE 109 2HB PHE 109 11.113 9.160 11.632 829 2HB PHE 109 1HB PHE 109 12.372 8.478 12.665 830 HD1 PHE 109 1HD PHE 109 12.130 6.142 13.551 831 HD2 PHE 109 2HD PHE 109 9.445 7.772 10.620 832 HE1 PHE 109 1HE PHE 109 11.337 3.856 13.006 833 HE2 PHE 109 2HE PHE 109 8.656 5.485 10.072 834 HZ PHE 109 HZ PHE 109 9.601 3.528 11.266 835 H LYS 110 H LYS 110 9.378 10.928 12.571 836 HA LYS 110 HA LYS 110 6.691 9.746 12.892 837 1HB LYS 110 2HB LYS 110 7.126 12.025 13.863 838 2HB LYS 110 1HB LYS 110 7.396 12.610 12.221 839 1HG LYS 110 2HG LYS 110 5.106 11.709 11.626 840 2HG LYS 110 1HG LYS 110 4.851 11.416 13.347 841 1HD LYS 110 2HD LYS 110 5.571 14.115 12.168 842 2HD LYS 110 1HD LYS 110 3.928 13.615 12.576 843 1HE LYS 110 2HE LYS 110 4.897 13.093 14.925 844 2HE LYS 110 1HE LYS 110 6.260 14.096 14.426 845 1HZ LYS 110 1HZ LYS 110 3.764 14.925 15.365 846 2HZ LYS 110 2HZ LYS 110 3.880 15.407 13.740 847 3HZ LYS 110 3HZ LYS 110 5.064 15.890 14.858 848 H SER 111 H SER 111 5.666 9.000 11.151 849 HA SER 111 HA SER 111 6.744 9.709 8.492 850 1HB SER 111 2HB SER 111 5.183 7.239 9.269 851 2HB SER 111 1HB SER 111 5.954 7.556 7.718 852 HG SER 111 HG SER 111 7.693 7.892 9.754 853 H LYS 112 H LYS 112 5.441 10.593 7.002 854 HA LYS 112 HA LYS 112 2.528 10.506 7.390 855 1HB LYS 112 2HB LYS 112 3.473 12.641 8.375 856 2HB LYS 112 1HB LYS 112 3.981 13.076 6.741 857 1HG LYS 112 2HG LYS 112 1.569 12.701 6.021 858 2HG LYS 112 1HG LYS 112 1.161 12.611 7.735 859 1HD LYS 112 2HD LYS 112 2.581 14.951 6.430 860 2HD LYS 112 1HD LYS 112 0.856 14.904 6.793 861 1HE LYS 112 2HE LYS 112 1.587 14.345 9.215 862 2HE LYS 112 1HE LYS 112 3.176 14.926 8.717 863 1HZ LYS 112 1HZ LYS 112 1.539 16.590 9.725 864 2HZ LYS 112 2HZ LYS 112 0.750 16.531 8.222 865 3HZ LYS 112 3HZ LYS 112 2.367 17.044 8.317 866 H MET 113 H MET 113 1.618 9.835 5.556 867 HA MET 113 HA MET 113 2.920 10.542 2.997 868 1HB MET 113 2HB MET 113 1.631 7.891 3.682 869 2HB MET 113 1HB MET 113 2.355 8.327 2.133 870 1HG MET 113 2HG MET 113 4.123 7.205 3.153 871 2HG MET 113 1HG MET 113 4.467 8.873 3.610 872 1HE MET 113 1HE MET 113 3.151 5.368 6.177 873 2HE MET 113 2HE MET 113 3.932 5.388 4.598 874 3HE MET 113 3HE MET 113 2.228 5.812 4.736 875 H ASP 114 H ASP 114 1.442 10.340 1.121 876 HA ASP 114 HA ASP 114 -1.410 10.450 1.641 877 1HB ASP 114 2HB ASP 114 -0.380 12.791 2.082 878 2HB ASP 114 1HB ASP 114 -0.196 12.869 0.332 879 H ALA 115 H ALA 115 -2.609 10.883 -0.469 880 HA ALA 115 HA ALA 115 -1.050 9.857 -2.764 881 1HB ALA 115 1HB ALA 115 -3.787 9.012 -1.809 882 2HB ALA 115 2HB ALA 115 -2.356 8.004 -2.024 883 3HB ALA 115 3HB ALA 115 -3.190 8.664 -3.432 884 H LEU 116 H LEU 116 -0.845 11.771 -3.852 885 HA LEU 116 HA LEU 116 -3.257 13.373 -4.349 886 1HB LEU 116 2HB LEU 116 -0.533 14.124 -5.342 887 2HB LEU 116 1HB LEU 116 -1.857 15.163 -4.813 888 HG LEU 116 HG LEU 116 -0.193 13.381 -3.009 889 1HD1 LEU 116 1HD1 LEU 116 1.068 15.327 -3.800 890 2HD1 LEU 116 2HD1 LEU 116 0.633 15.547 -2.105 891 3HD1 LEU 116 3HD1 LEU 116 -0.267 16.393 -3.364 892 1HD2 LEU 116 1HD2 LEU 116 -1.416 14.657 -1.209 893 2HD2 LEU 116 2HD2 LEU 116 -2.452 13.590 -2.155 894 3HD2 LEU 116 3HD2 LEU 116 -2.457 15.326 -2.466 895 HA PRO 117 HA PRO 117 -3.962 11.968 -8.463 896 1HB PRO 117 2HB PRO 117 -3.988 14.855 -9.223 897 2HB PRO 117 1HB PRO 117 -5.207 13.601 -9.515 898 1HG PRO 117 2HG PRO 117 -5.561 15.464 -7.652 899 2HG PRO 117 1HG PRO 117 -6.107 13.795 -7.410 900 1HD PRO 117 2HD PRO 117 -3.761 15.204 -6.205 901 2HD PRO 117 1HD PRO 117 -4.789 13.926 -5.516 902 H LEU 118 H LEU 118 -2.948 11.807 -10.538 903 HA LEU 118 HA LEU 118 -0.108 12.417 -10.487 904 1HB LEU 118 2HB LEU 118 -1.827 10.987 -12.528 905 2HB LEU 118 1HB LEU 118 -0.073 11.147 -12.628 906 HG LEU 118 HG LEU 118 -1.347 10.017 -10.147 907 1HD1 LEU 118 1HD1 LEU 118 -0.587 8.449 -12.632 908 2HD1 LEU 118 2HD1 LEU 118 -2.239 8.745 -12.091 909 3HD1 LEU 118 3HD1 LEU 118 -1.151 7.770 -11.105 910 1HD2 LEU 118 1HD2 LEU 118 1.143 10.699 -10.447 911 2HD2 LEU 118 2HD2 LEU 118 1.262 9.266 -11.469 912 3HD2 LEU 118 3HD2 LEU 118 0.802 9.105 -9.773 913 H SER 119 H SER 119 0.601 14.343 -11.123 914 HA SER 119 HA SER 119 -0.955 16.175 -12.650 915 1HB SER 119 2HB SER 119 2.004 16.183 -12.012 916 2HB SER 119 1HB SER 119 1.103 17.543 -12.675 917 HG SER 119 HG SER 119 1.416 17.340 -10.268 918 H GLU 120 H GLU 120 -0.063 17.202 -14.685 919 HA GLU 120 HA GLU 120 -0.040 15.361 -16.784 920 1HB GLU 120 2HB GLU 120 0.565 17.220 -18.214 921 2HB GLU 120 1HB GLU 120 -0.571 17.794 -16.993 922 1HG GLU 120 2HG GLU 120 1.422 18.517 -15.613 923 2HG GLU 120 1HG GLU 120 2.435 18.147 -17.007 924 H GLU 121 H GLU 121 2.545 16.565 -14.793 925 HA GLU 121 HA GLU 121 4.758 16.029 -16.428 926 1HB GLU 121 2HB GLU 121 4.487 15.851 -13.419 927 2HB GLU 121 1HB GLU 121 6.021 15.830 -14.291 928 1HG GLU 121 2HG GLU 121 5.462 18.039 -15.282 929 2HG GLU 121 1HG GLU 121 3.976 18.068 -14.335 930 H TYR 122 H TYR 122 2.815 13.916 -14.382 931 HA TYR 122 HA TYR 122 4.490 11.646 -14.451 932 1HB TYR 122 2HB TYR 122 2.737 11.629 -12.858 933 2HB TYR 122 1HB TYR 122 1.516 11.991 -14.080 934 HD1 TYR 122 1HD TYR 122 4.142 9.422 -13.310 935 HD2 TYR 122 2HD TYR 122 0.265 10.235 -14.971 936 HE1 TYR 122 1HE TYR 122 3.805 6.998 -13.708 937 HE2 TYR 122 2HE TYR 122 -0.077 7.810 -15.360 938 HH TYR 122 HH TYR 122 0.950 5.798 -15.425 939 H ARG 123 H ARG 123 1.868 12.724 -16.585 940 HA ARG 123 HA ARG 123 1.705 10.492 -18.253 941 1HB ARG 123 2HB ARG 123 1.401 13.395 -19.059 942 2HB ARG 123 1HB ARG 123 0.746 11.997 -19.913 943 1HG ARG 123 2HG ARG 123 0.064 12.635 -17.034 944 2HG ARG 123 1HG ARG 123 -0.903 13.194 -18.398 945 1HD ARG 123 2HD ARG 123 -0.931 10.708 -19.128 946 2HD ARG 123 1HD ARG 123 -0.413 10.366 -17.480 947 HE ARG 123 HE ARG 123 -3.048 11.088 -18.297 948 1HH1 ARG 123 1HH2 ARG 123 -0.678 11.532 -15.815 949 2HH1 ARG 123 2HH2 ARG 123 -1.842 11.820 -14.565 950 1HH2 ARG 123 1HH1 ARG 123 -4.579 11.464 -16.663 951 2HH2 ARG 123 2HH1 ARG 123 -4.051 11.781 -15.045 952 H GLN 124 H GLN 124 3.876 13.289 -18.390 953 HA GLN 124 HA GLN 124 5.165 12.540 -20.818 954 1HB GLN 124 2HB GLN 124 5.192 14.842 -19.831 955 2HB GLN 124 1HB GLN 124 6.277 14.241 -18.576 956 1HG GLN 124 2HG GLN 124 7.917 13.584 -20.275 957 2HG GLN 124 1HG GLN 124 6.827 14.113 -21.555 958 1HE2 GLN 124 1HE2 GLN 124 9.261 15.357 -21.581 959 2HE2 GLN 124 2HE2 GLN 124 9.149 16.936 -20.971 960 H HIS 125 H HIS 125 5.793 11.898 -17.403 961 HA HIS 125 HA HIS 125 8.350 10.778 -17.615 962 1HB HIS 125 2HB HIS 125 7.516 11.224 -15.435 963 2HB HIS 125 1HB HIS 125 6.069 10.254 -15.709 964 HD1 HIS 125 1HD HIS 125 9.734 9.964 -14.947 965 HD2 HIS 125 2HD HIS 125 6.450 7.445 -15.456 966 HE1 HIS 125 1HE HIS 125 10.449 7.678 -14.125 967 HE2 HIS 125 2HE HIS 125 8.460 6.129 -14.436 968 H GLN 126 H GLN 126 5.180 9.432 -18.281 969 HA GLN 126 HA GLN 126 5.833 6.706 -18.378 970 1HB GLN 126 2HB GLN 126 3.804 8.270 -19.992 971 2HB GLN 126 1HB GLN 126 3.868 6.510 -19.893 972 1HG GLN 126 2HG GLN 126 3.484 6.575 -17.497 973 2HG GLN 126 1HG GLN 126 3.590 8.335 -17.490 974 1HE2 GLN 126 1HE2 GLN 126 1.243 6.877 -16.589 975 2HE2 GLN 126 2HE2 GLN 126 -0.028 7.262 -17.645 976 H ALA 127 H ALA 127 6.198 9.273 -20.769 977 HA ALA 127 HA ALA 127 6.877 7.631 -22.973 978 1HB ALA 127 1HB ALA 127 7.837 9.697 -23.936 979 2HB ALA 127 2HB ALA 127 7.667 10.491 -22.370 980 3HB ALA 127 3HB ALA 127 6.233 9.974 -23.257 981 H GLU 128 H GLU 128 8.747 8.988 -20.323 982 HA GLU 128 HA GLU 128 11.329 8.484 -21.362 983 1HB GLU 128 2HB GLU 128 10.390 8.598 -18.484 984 2HB GLU 128 1HB GLU 128 12.072 8.663 -19.012 985 1HG GLU 128 2HG GLU 128 11.525 10.691 -20.363 986 2HG GLU 128 1HG GLU 128 9.892 10.653 -19.702 987 H LYS 129 H LYS 129 9.012 6.483 -19.638 988 HA LYS 129 HA LYS 129 10.689 4.356 -18.906 989 1HB LYS 129 2HB LYS 129 7.772 4.289 -19.717 990 2HB LYS 129 1HB LYS 129 8.626 3.000 -18.868 991 1HG LYS 129 2HG LYS 129 9.244 4.882 -17.159 992 2HG LYS 129 1HG LYS 129 7.879 5.738 -17.876 993 1HD LYS 129 2HD LYS 129 7.827 3.009 -16.561 994 2HD LYS 129 1HD LYS 129 7.053 4.484 -15.978 995 1HE LYS 129 2HE LYS 129 5.257 3.450 -17.028 996 2HE LYS 129 1HE LYS 129 5.887 4.431 -18.353 997 1HZ LYS 129 1HZ LYS 129 6.994 1.747 -17.971 998 2HZ LYS 129 2HZ LYS 129 6.757 2.629 -19.404 999 3HZ LYS 129 3HZ LYS 129 5.440 1.875 -18.639 1000 H ASP 130 H ASP 130 9.107 5.127 -21.954 1001 HA ASP 130 HA ASP 130 9.491 2.677 -23.279 1002 1HB ASP 130 2HB ASP 130 8.077 4.580 -24.095 1003 2HB ASP 130 1HB ASP 130 9.557 5.433 -24.526 1004 H LYS 131 H LYS 131 11.617 5.461 -22.835 1005 HA LYS 131 HA LYS 131 13.698 4.298 -24.504 1006 1HB LYS 131 2HB LYS 131 13.700 6.781 -22.770 1007 2HB LYS 131 1HB LYS 131 14.977 6.316 -23.895 1008 1HG LYS 131 2HG LYS 131 13.185 6.285 -25.712 1009 2HG LYS 131 1HG LYS 131 12.124 7.079 -24.547 1010 1HD LYS 131 2HD LYS 131 14.832 8.126 -25.427 1011 2HD LYS 131 1HD LYS 131 13.277 8.721 -26.011 1012 1HE LYS 131 2HE LYS 131 13.767 10.229 -24.286 1013 2HE LYS 131 1HE LYS 131 12.736 9.051 -23.474 1014 1HZ LYS 131 1HZ LYS 131 14.398 8.442 -22.158 1015 2HZ LYS 131 2HZ LYS 131 15.270 9.779 -22.737 1016 3HZ LYS 131 3HZ LYS 131 15.472 8.254 -23.457 Start of MODEL 9 1 H MET 1 1H MET 1 -1.428 -7.576 22.376 2 HA MET 1 HA MET 1 -2.819 -5.650 22.302 3 1HB MET 1 2HB MET 1 0.098 -4.822 22.352 4 2HB MET 1 1HB MET 1 -1.243 -4.008 23.159 5 1HG MET 1 2HG MET 1 -0.342 -6.847 23.727 6 2HG MET 1 1HG MET 1 0.041 -5.445 24.725 7 1HE MET 1 1HE MET 1 -1.110 -7.417 26.496 8 2HE MET 1 2HE MET 1 -1.562 -8.335 25.062 9 3HE MET 1 3HE MET 1 -2.781 -7.951 26.275 10 H GLY 2 H GLY 2 -3.877 -4.505 20.816 11 1HA GLY 2 2HA GLY 2 -4.247 -2.992 19.102 12 2HA GLY 2 1HA GLY 2 -2.504 -2.773 18.973 13 H CYS 3 H CYS 3 -4.184 -5.865 18.777 14 HA CYS 3 HA CYS 3 -2.833 -6.757 16.501 15 1HB CYS 3 2HB CYS 3 -5.554 -7.561 17.558 16 2HB CYS 3 1HB CYS 3 -4.648 -8.453 16.335 17 HG CYS 3 HG CYS 3 -3.383 -7.977 19.152 18 H GLY 4 H GLY 4 -5.830 -4.935 16.820 19 1HA GLY 4 2HA GLY 4 -6.915 -3.614 15.258 20 2HA GLY 4 1HA GLY 4 -5.655 -4.021 14.096 21 H ALA 5 H ALA 5 -7.798 -6.195 15.905 22 HA ALA 5 HA ALA 5 -9.142 -7.918 15.172 23 1HB ALA 5 1HB ALA 5 -9.905 -5.893 13.057 24 2HB ALA 5 2HB ALA 5 -10.548 -5.910 14.699 25 3HB ALA 5 3HB ALA 5 -10.873 -7.259 13.611 26 H SER 6 H SER 6 -9.938 -7.892 12.191 27 HA SER 6 HA SER 6 -9.342 -9.184 10.379 28 1HB SER 6 2HB SER 6 -6.755 -7.710 10.907 29 2HB SER 6 1HB SER 6 -7.085 -8.639 9.448 30 HG SER 6 HG SER 6 -7.674 -6.550 9.026 31 H SER 7 H SER 7 -7.428 -10.689 9.543 32 HA SER 7 HA SER 7 -7.310 -12.884 11.303 33 1HB SER 7 2HB SER 7 -5.541 -12.297 8.918 34 2HB SER 7 1HB SER 7 -5.768 -13.870 9.679 35 HG SER 7 HG SER 7 -7.809 -13.943 8.936 36 H GLU 8 H GLU 8 -5.624 -13.749 12.524 37 HA GLU 8 HA GLU 8 -3.973 -11.884 13.880 38 1HB GLU 8 2HB GLU 8 -3.904 -14.908 13.802 39 2HB GLU 8 1HB GLU 8 -2.953 -13.918 14.911 40 1HG GLU 8 2HG GLU 8 -5.043 -12.915 15.787 41 2HG GLU 8 1HG GLU 8 -5.979 -13.949 14.709 42 H ASN 9 H ASN 9 -3.420 -14.101 11.204 43 HA ASN 9 HA ASN 9 -0.560 -13.595 11.161 44 1HB ASN 9 2HB ASN 9 -0.526 -15.078 9.247 45 2HB ASN 9 1HB ASN 9 -1.533 -15.796 10.502 46 1HD2 ASN 9 1HD2 ASN 9 -3.384 -13.296 9.428 47 2HD2 ASN 9 2HD2 ASN 9 -4.250 -14.079 8.196 48 H SER 10 H SER 10 0.504 -12.757 9.211 49 HA SER 10 HA SER 10 -1.092 -11.037 7.480 50 1HB SER 10 2HB SER 10 0.061 -9.005 8.043 51 2HB SER 10 1HB SER 10 -0.566 -9.688 9.541 52 HG SER 10 HG SER 10 1.548 -10.661 9.792 53 H SER 11 H SER 11 0.203 -10.102 5.728 54 HA SER 11 HA SER 11 2.897 -11.043 5.312 55 1HB SER 11 2HB SER 11 2.423 -12.421 3.356 56 2HB SER 11 1HB SER 11 1.585 -13.072 4.761 57 HG SER 11 HG SER 11 0.167 -12.961 3.017 58 H VAL 12 H VAL 12 2.247 -11.002 2.327 59 HA VAL 12 HA VAL 12 1.692 -8.138 1.966 60 HB VAL 12 HB VAL 12 4.065 -9.434 0.632 61 1HG1 VAL 12 1HG1 VAL 12 2.941 -7.306 -0.244 62 2HG1 VAL 12 2HG1 VAL 12 4.668 -7.190 0.092 63 3HG1 VAL 12 3HG1 VAL 12 3.502 -6.524 1.234 64 1HG2 VAL 12 1HG2 VAL 12 4.422 -9.523 3.069 65 2HG2 VAL 12 2HG2 VAL 12 4.000 -7.816 3.201 66 3HG2 VAL 12 3HG2 VAL 12 5.460 -8.298 2.340 67 H THR 13 H THR 13 0.586 -7.687 0.131 68 HA THR 13 HA THR 13 0.348 -9.811 -1.905 69 HB THR 13 HB THR 13 -2.011 -8.149 -1.042 70 HG1 THR 13 1HG THR 13 -2.494 -10.326 0.003 71 1HG2 THR 13 1HG2 THR 13 -1.972 -9.367 -3.252 72 2HG2 THR 13 2HG2 THR 13 -3.272 -9.864 -2.169 73 3HG2 THR 13 3HG2 THR 13 -1.837 -10.874 -2.347 74 H TYR 14 H TYR 14 0.345 -9.117 -3.983 75 HA TYR 14 HA TYR 14 0.323 -6.192 -4.433 76 1HB TYR 14 2HB TYR 14 1.996 -8.305 -5.814 77 2HB TYR 14 1HB TYR 14 1.913 -6.612 -6.300 78 HD1 TYR 14 1HD TYR 14 3.347 -8.997 -3.977 79 HD2 TYR 14 2HD TYR 14 2.633 -4.818 -4.671 80 HE1 TYR 14 1HE TYR 14 5.063 -8.421 -2.280 81 HE2 TYR 14 2HE TYR 14 4.348 -4.243 -2.975 82 HH TYR 14 HH TYR 14 6.445 -5.444 -2.002 83 H VAL 15 H VAL 15 -0.181 -5.646 -6.766 84 HA VAL 15 HA VAL 15 -2.021 -7.569 -8.014 85 HB VAL 15 HB VAL 15 -3.707 -6.412 -6.990 86 1HG1 VAL 15 1HG1 VAL 15 -3.493 -3.998 -6.339 87 2HG1 VAL 15 2HG1 VAL 15 -1.850 -4.015 -6.980 88 3HG1 VAL 15 3HG1 VAL 15 -2.269 -5.030 -5.600 89 1HG2 VAL 15 1HG2 VAL 15 -3.070 -4.328 -9.090 90 2HG2 VAL 15 2HG2 VAL 15 -4.657 -4.829 -8.505 91 3HG2 VAL 15 3HG2 VAL 15 -3.701 -5.921 -9.508 92 H ASN 16 H ASN 16 -0.681 -4.272 -8.289 93 HA ASN 16 HA ASN 16 -0.799 -4.363 -11.178 94 1HB ASN 16 2HB ASN 16 0.428 -2.336 -9.295 95 2HB ASN 16 1HB ASN 16 0.257 -2.129 -11.037 96 1HD2 ASN 16 1HD2 ASN 16 -1.362 -1.760 -8.016 97 2HD2 ASN 16 2HD2 ASN 16 -2.898 -1.394 -8.637 98 H GLY 17 H GLY 17 1.181 -5.841 -9.060 99 1HA GLY 17 2HA GLY 17 2.999 -7.085 -10.328 100 2HA GLY 17 1HA GLY 17 3.598 -5.478 -10.725 101 H ARG 18 H ARG 18 5.297 -7.173 -9.473 102 HA ARG 18 HA ARG 18 5.235 -6.519 -6.609 103 1HB ARG 18 2HB ARG 18 7.384 -8.188 -7.845 104 2HB ARG 18 1HB ARG 18 6.626 -8.329 -6.258 105 1HG ARG 18 2HG ARG 18 5.324 -9.005 -8.913 106 2HG ARG 18 1HG ARG 18 5.894 -10.168 -7.714 107 1HD ARG 18 2HD ARG 18 4.321 -8.780 -6.099 108 2HD ARG 18 1HD ARG 18 3.523 -8.340 -7.606 109 HE ARG 18 HE ARG 18 2.737 -10.525 -7.772 110 1HH1 ARG 18 1HH2 ARG 18 5.247 -10.262 -5.405 111 2HH1 ARG 18 2HH2 ARG 18 5.027 -11.866 -4.792 112 1HH2 ARG 18 1HH1 ARG 18 2.442 -12.631 -6.974 113 2HH2 ARG 18 2HH1 ARG 18 3.439 -13.208 -5.680 114 HA PRO 19 HA PRO 19 7.954 -3.068 -6.953 115 1HB PRO 19 2HB PRO 19 9.199 -4.290 -4.523 116 2HB PRO 19 1HB PRO 19 8.639 -2.628 -4.790 117 1HG PRO 19 2HG PRO 19 7.234 -4.379 -3.339 118 2HG PRO 19 1HG PRO 19 6.457 -3.145 -4.342 119 1HD PRO 19 2HD PRO 19 6.613 -6.076 -4.772 120 2HD PRO 19 1HD PRO 19 5.424 -4.907 -5.383 121 H THR 20 H THR 20 10.025 -2.621 -7.701 122 HA THR 20 HA THR 20 11.553 -4.856 -8.709 123 HB THR 20 HB THR 20 12.894 -3.206 -9.821 124 HG1 THR 20 1HG THR 20 13.334 -1.586 -8.547 125 1HG2 THR 20 1HG2 THR 20 10.613 -3.533 -10.713 126 2HG2 THR 20 2HG2 THR 20 11.169 -1.878 -10.968 127 3HG2 THR 20 3HG2 THR 20 10.025 -2.235 -9.674 128 H PHE 21 H PHE 21 11.407 -3.327 -5.762 129 HA PHE 21 HA PHE 21 14.179 -4.133 -5.120 130 1HB PHE 21 2HB PHE 21 13.925 -1.653 -5.168 131 2HB PHE 21 1HB PHE 21 12.685 -1.788 -3.921 132 HD1 PHE 21 1HD PHE 21 16.256 -2.565 -4.673 133 HD2 PHE 21 2HD PHE 21 13.270 -2.005 -1.637 134 HE1 PHE 21 1HE PHE 21 18.017 -2.637 -2.928 135 HE2 PHE 21 2HE PHE 21 15.031 -2.076 0.108 136 HZ PHE 21 HZ PHE 21 17.404 -2.391 -0.537 137 H VAL 22 H VAL 22 14.424 -5.395 -3.350 138 HA VAL 22 HA VAL 22 12.090 -5.776 -1.582 139 HB VAL 22 HB VAL 22 13.837 -8.100 -2.305 140 1HG1 VAL 22 1HG1 VAL 22 10.896 -7.832 -1.610 141 2HG1 VAL 22 2HG1 VAL 22 12.171 -8.224 -0.456 142 3HG1 VAL 22 3HG1 VAL 22 11.797 -9.340 -1.770 143 1HG2 VAL 22 1HG2 VAL 22 13.200 -7.303 -4.483 144 2HG2 VAL 22 2HG2 VAL 22 11.559 -6.953 -3.941 145 3HG2 VAL 22 3HG2 VAL 22 12.101 -8.625 -4.091 146 H GLY 23 H GLY 23 12.573 -5.641 0.519 147 1HA GLY 23 2HA GLY 23 15.427 -5.714 1.292 148 2HA GLY 23 1HA GLY 23 14.186 -4.779 2.124 149 H GLU 24 H GLU 24 13.442 -5.631 3.955 150 HA GLU 24 HA GLU 24 13.361 -8.567 4.236 151 1HB GLU 24 2HB GLU 24 14.416 -6.635 6.316 152 2HB GLU 24 1HB GLU 24 14.215 -8.374 6.532 153 1HG GLU 24 2HG GLU 24 15.965 -7.102 4.409 154 2HG GLU 24 1HG GLU 24 16.558 -7.737 5.943 155 H GLU 25 H GLU 25 12.541 -5.593 6.043 156 HA GLU 25 HA GLU 25 10.051 -6.826 6.943 157 1HB GLU 25 2HB GLU 25 11.521 -5.474 8.479 158 2HB GLU 25 1HB GLU 25 11.091 -4.048 7.534 159 1HG GLU 25 2HG GLU 25 9.583 -4.143 9.412 160 2HG GLU 25 1HG GLU 25 8.666 -4.592 7.975 161 H VAL 26 H VAL 26 8.130 -6.479 6.025 162 HA VAL 26 HA VAL 26 7.879 -4.223 4.125 163 HB VAL 26 HB VAL 26 6.265 -6.741 3.869 164 1HG1 VAL 26 1HG1 VAL 26 5.682 -4.735 2.542 165 2HG1 VAL 26 2HG1 VAL 26 6.250 -6.045 1.506 166 3HG1 VAL 26 3HG1 VAL 26 7.321 -4.698 1.889 167 1HG2 VAL 26 1HG2 VAL 26 8.068 -7.465 2.209 168 2HG2 VAL 26 2HG2 VAL 26 8.495 -7.617 3.913 169 3HG2 VAL 26 3HG2 VAL 26 9.116 -6.265 2.964 170 H THR 27 H THR 27 6.210 -2.869 4.422 171 HA THR 27 HA THR 27 3.897 -3.709 6.005 172 HB THR 27 HB THR 27 4.967 -1.072 6.794 173 HG1 THR 27 1HG THR 27 6.728 -2.820 6.634 174 1HG2 THR 27 1HG2 THR 27 4.052 -1.687 8.898 175 2HG2 THR 27 2HG2 THR 27 4.089 -3.406 8.499 176 3HG2 THR 27 3HG2 THR 27 2.929 -2.340 7.704 177 H LYS 28 H LYS 28 2.261 -1.839 6.081 178 HA LYS 28 HA LYS 28 2.322 -0.408 3.491 179 1HB LYS 28 2HB LYS 28 -0.262 -0.553 3.771 180 2HB LYS 28 1HB LYS 28 0.614 -1.976 3.205 181 1HG LYS 28 2HG LYS 28 0.309 -1.651 6.153 182 2HG LYS 28 1HG LYS 28 -1.129 -2.106 5.239 183 1HD LYS 28 2HD LYS 28 1.441 -3.554 4.703 184 2HD LYS 28 1HD LYS 28 0.511 -3.971 6.143 185 1HE LYS 28 2HE LYS 28 -1.385 -4.610 4.870 186 2HE LYS 28 1HE LYS 28 -0.783 -3.807 3.420 187 1HZ LYS 28 1HZ LYS 28 1.076 -5.411 3.418 188 2HZ LYS 28 2HZ LYS 28 -0.441 -6.148 3.207 189 3HZ LYS 28 3HZ LYS 28 0.345 -6.230 4.711 190 H GLY 29 H GLY 29 2.594 1.699 3.823 191 1HA GLY 29 2HA GLY 29 2.476 3.125 6.155 192 2HA GLY 29 1HA GLY 29 2.151 3.840 4.579 193 H PHE 30 H PHE 30 -0.111 3.519 3.739 194 HA PHE 30 HA PHE 30 -1.993 4.524 5.588 195 1HB PHE 30 2HB PHE 30 -2.538 3.167 2.937 196 2HB PHE 30 1HB PHE 30 -3.622 4.258 3.802 197 HD1 PHE 30 1HD PHE 30 -2.948 6.659 4.155 198 HD2 PHE 30 2HD PHE 30 -0.753 4.004 1.589 199 HE1 PHE 30 1HE PHE 30 -1.853 8.606 3.077 200 HE2 PHE 30 2HE PHE 30 0.341 5.950 0.510 201 HZ PHE 30 HZ PHE 30 -0.208 8.251 1.255 202 H GLU 31 H GLU 31 -4.280 2.915 4.769 203 HA GLU 31 HA GLU 31 -3.828 0.253 5.835 204 1HB GLU 31 2HB GLU 31 -5.793 0.818 7.534 205 2HB GLU 31 1HB GLU 31 -4.104 1.084 7.965 206 1HG GLU 31 2HG GLU 31 -5.485 3.064 8.498 207 2HG GLU 31 1HG GLU 31 -4.280 3.435 7.264 208 H LYS 32 H LYS 32 -5.033 1.899 3.505 209 HA LYS 32 HA LYS 32 -7.696 0.620 3.478 210 1HB LYS 32 2HB LYS 32 -6.595 3.003 1.984 211 2HB LYS 32 1HB LYS 32 -8.131 2.238 1.575 212 1HG LYS 32 2HG LYS 32 -8.799 2.557 4.013 213 2HG LYS 32 1HG LYS 32 -7.373 3.582 4.178 214 1HD LYS 32 2HD LYS 32 -8.203 5.029 2.355 215 2HD LYS 32 1HD LYS 32 -9.638 4.014 2.208 216 1HE LYS 32 2HE LYS 32 -8.836 5.422 4.768 217 2HE LYS 32 1HE LYS 32 -9.984 6.085 3.605 218 1HZ LYS 32 1HZ LYS 32 -10.260 3.773 5.381 219 2HZ LYS 32 2HZ LYS 32 -11.060 3.731 3.882 220 3HZ LYS 32 3HZ LYS 32 -11.390 4.976 4.991 221 H ASP 33 H ASP 33 -8.406 0.028 1.174 222 HA ASP 33 HA ASP 33 -8.131 -1.610 -0.442 223 1HB ASP 33 2HB ASP 33 -5.839 0.275 -1.040 224 2HB ASP 33 1HB ASP 33 -6.454 -0.945 -2.155 225 H ASN 34 H ASN 34 -5.867 -2.583 -1.724 226 HA ASN 34 HA ASN 34 -5.047 -4.650 -0.028 227 1HB ASN 34 2HB ASN 34 -4.926 -4.626 -2.547 228 2HB ASN 34 1HB ASN 34 -3.491 -3.612 -2.402 229 1HD2 ASN 34 1HD2 ASN 34 -2.659 -5.747 -3.587 230 2HD2 ASN 34 2HD2 ASN 34 -2.036 -6.943 -2.555 231 H GLY 35 H GLY 35 -3.705 -1.463 -0.572 232 1HA GLY 35 2HA GLY 35 -2.414 -1.036 1.743 233 2HA GLY 35 1HA GLY 35 -1.254 -2.043 0.881 234 H LEU 36 H LEU 36 -2.273 -0.859 -1.714 235 HA LEU 36 HA LEU 36 -1.656 0.817 -3.156 236 1HB LEU 36 2HB LEU 36 -1.620 2.622 -0.734 237 2HB LEU 36 1HB LEU 36 -1.918 3.070 -2.414 238 HG LEU 36 HG LEU 36 -3.691 1.298 -0.706 239 1HD1 LEU 36 1HD1 LEU 36 -4.135 4.077 -1.842 240 2HD1 LEU 36 2HD1 LEU 36 -3.787 3.716 -0.150 241 3HD1 LEU 36 3HD1 LEU 36 -5.290 3.153 -0.881 242 1HD2 LEU 36 1HD2 LEU 36 -3.944 0.495 -2.909 243 2HD2 LEU 36 2HD2 LEU 36 -3.728 2.096 -3.615 244 3HD2 LEU 36 3HD2 LEU 36 -5.225 1.698 -2.773 245 H LEU 37 H LEU 37 -0.003 2.044 -0.261 246 HA LEU 37 HA LEU 37 2.549 1.809 -1.728 247 1HB LEU 37 2HB LEU 37 1.792 4.099 -1.006 248 2HB LEU 37 1HB LEU 37 1.948 3.557 0.665 249 HG LEU 37 HG LEU 37 4.351 2.851 -0.009 250 1HD1 LEU 37 1HD1 LEU 37 5.235 3.597 -1.991 251 2HD1 LEU 37 2HD1 LEU 37 4.221 5.040 -2.020 252 3HD1 LEU 37 3HD1 LEU 37 3.553 3.481 -2.507 253 1HD2 LEU 37 1HD2 LEU 37 4.138 4.648 1.512 254 2HD2 LEU 37 2HD2 LEU 37 3.362 5.683 0.315 255 3HD2 LEU 37 3HD2 LEU 37 5.086 5.332 0.193 256 H PHE 38 H PHE 38 4.078 0.471 -0.998 257 HA PHE 38 HA PHE 38 3.656 -0.797 1.636 258 1HB PHE 38 2HB PHE 38 5.049 -1.789 -0.858 259 2HB PHE 38 1HB PHE 38 5.114 -2.623 0.696 260 HD1 PHE 38 1HD PHE 38 2.936 -3.347 1.792 261 HD2 PHE 38 2HD PHE 38 3.160 -1.999 -2.280 262 HE1 PHE 38 1HE PHE 38 0.738 -4.397 1.322 263 HE2 PHE 38 2HE PHE 38 0.964 -3.048 -2.750 264 HZ PHE 38 HZ PHE 38 -0.248 -4.248 -0.949 265 H ARG 39 H ARG 39 5.274 -0.821 3.135 266 HA ARG 39 HA ARG 39 7.526 0.982 2.643 267 1HB ARG 39 2HB ARG 39 6.189 1.244 4.708 268 2HB ARG 39 1HB ARG 39 6.647 -0.389 5.195 269 1HG ARG 39 2HG ARG 39 8.157 1.115 6.306 270 2HG ARG 39 1HG ARG 39 9.067 0.344 5.006 271 1HD ARG 39 2HD ARG 39 7.641 2.897 4.395 272 2HD ARG 39 1HD ARG 39 9.118 2.986 5.349 273 HE ARG 39 HE ARG 39 9.232 1.454 2.853 274 1HH1 ARG 39 1HH2 ARG 39 9.885 4.349 4.633 275 2HH1 ARG 39 2HH2 ARG 39 11.086 4.924 3.524 276 1HH2 ARG 39 1HH1 ARG 39 10.804 2.201 1.395 277 2HH2 ARG 39 2HH1 ARG 39 11.606 3.707 1.691 278 H ILE 40 H ILE 40 9.160 -0.007 1.599 279 HA ILE 40 HA ILE 40 9.924 -2.735 2.386 280 HB ILE 40 HB ILE 40 11.044 -1.093 0.110 281 1HG1 ILE 40 2HG1 ILE 40 8.728 -3.058 0.075 282 2HG1 ILE 40 1HG1 ILE 40 8.573 -1.309 -0.090 283 1HG2 ILE 40 1HG2 ILE 40 10.919 -4.071 0.682 284 2HG2 ILE 40 2HG2 ILE 40 12.358 -3.057 0.790 285 3HG2 ILE 40 3HG2 ILE 40 11.597 -3.343 -0.775 286 1HD1 ILE 40 1HD1 ILE 40 9.849 -3.267 -1.995 287 2HD1 ILE 40 2HD1 ILE 40 10.252 -1.551 -2.049 288 3HD1 ILE 40 3HD1 ILE 40 8.591 -2.074 -2.321 289 H VAL 41 H VAL 41 11.649 -3.105 3.630 290 HA VAL 41 HA VAL 41 13.742 -1.036 3.821 291 HB VAL 41 HB VAL 41 12.476 -2.466 6.170 292 1HG1 VAL 41 1HG1 VAL 41 14.772 -2.140 6.686 293 2HG1 VAL 41 2HG1 VAL 41 13.950 -0.759 7.413 294 3HG1 VAL 41 3HG1 VAL 41 14.810 -0.569 5.885 295 1HG2 VAL 41 1HG2 VAL 41 12.462 0.476 5.429 296 2HG2 VAL 41 2HG2 VAL 41 11.624 -0.275 6.788 297 3HG2 VAL 41 3HG2 VAL 41 11.113 -0.622 5.136 298 H ASN 42 H ASN 42 15.727 -1.848 3.596 299 HA ASN 42 HA ASN 42 16.070 -4.773 3.826 300 1HB ASN 42 2HB ASN 42 16.548 -3.533 1.622 301 2HB ASN 42 1HB ASN 42 17.969 -2.889 2.442 302 1HD2 ASN 42 1HD2 ASN 42 16.553 -6.167 2.806 303 2HD2 ASN 42 2HD2 ASN 42 17.927 -6.987 2.241 304 H LYS 43 H LYS 43 16.706 -5.174 5.877 305 HA LYS 43 HA LYS 43 18.120 -3.511 7.591 306 1HB LYS 43 2HB LYS 43 18.110 -6.534 7.439 307 2HB LYS 43 1HB LYS 43 18.749 -5.606 8.796 308 1HG LYS 43 2HG LYS 43 16.508 -4.513 9.038 309 2HG LYS 43 1HG LYS 43 15.892 -5.587 7.782 310 1HD LYS 43 2HD LYS 43 16.600 -7.543 9.172 311 2HD LYS 43 1HD LYS 43 17.058 -6.420 10.454 312 1HE LYS 43 2HE LYS 43 14.815 -7.239 10.909 313 2HE LYS 43 1HE LYS 43 14.712 -5.540 10.448 314 1HZ LYS 43 1HZ LYS 43 14.087 -6.164 8.240 315 2HZ LYS 43 2HZ LYS 43 13.059 -6.965 9.330 316 3HZ LYS 43 3HZ LYS 43 14.325 -7.810 8.574 317 H LYS 44 H LYS 44 19.287 -5.582 5.019 318 HA LYS 44 HA LYS 44 21.960 -5.869 5.625 319 1HB LYS 44 2HB LYS 44 20.351 -6.187 3.344 320 2HB LYS 44 1HB LYS 44 21.670 -5.126 2.849 321 1HG LYS 44 2HG LYS 44 22.103 -7.707 4.372 322 2HG LYS 44 1HG LYS 44 22.161 -7.600 2.612 323 1HD LYS 44 2HD LYS 44 23.793 -5.658 4.197 324 2HD LYS 44 1HD LYS 44 24.368 -7.321 4.072 325 1HE LYS 44 2HE LYS 44 24.235 -7.188 1.613 326 2HE LYS 44 1HE LYS 44 23.653 -5.528 1.732 327 1HZ LYS 44 1HZ LYS 44 26.319 -6.531 1.924 328 2HZ LYS 44 2HZ LYS 44 25.912 -5.566 3.261 329 3HZ LYS 44 3HZ LYS 44 25.780 -4.940 1.688 330 H LYS 45 H LYS 45 20.827 -3.325 3.398 331 HA LYS 45 HA LYS 45 23.084 -1.652 4.252 332 1HB LYS 45 2HB LYS 45 21.184 -1.415 1.907 333 2HB LYS 45 1HB LYS 45 22.501 -0.292 2.251 334 1HG LYS 45 2HG LYS 45 24.146 -2.062 2.014 335 2HG LYS 45 1HG LYS 45 22.875 -3.272 1.841 336 1HD LYS 45 2HD LYS 45 23.768 -2.678 -0.364 337 2HD LYS 45 1HD LYS 45 22.098 -2.131 -0.223 338 1HE LYS 45 2HE LYS 45 22.706 0.114 -0.027 339 2HE LYS 45 1HE LYS 45 24.329 -0.273 0.542 340 1HZ LYS 45 1HZ LYS 45 24.703 0.354 -1.624 341 2HZ LYS 45 2HZ LYS 45 23.258 -0.333 -2.198 342 3HZ LYS 45 3HZ LYS 45 24.571 -1.329 -1.786 343 H LYS 46 H LYS 46 19.922 -2.108 5.083 344 HA LYS 46 HA LYS 46 18.361 -0.860 6.216 345 1HB LYS 46 2HB LYS 46 20.973 0.118 7.030 346 2HB LYS 46 1HB LYS 46 19.747 1.383 7.125 347 1HG LYS 46 2HG LYS 46 19.216 -1.377 8.216 348 2HG LYS 46 1HG LYS 46 20.045 -0.159 9.186 349 1HD LYS 46 2HD LYS 46 18.160 1.370 8.954 350 2HD LYS 46 1HD LYS 46 17.343 0.243 7.870 351 1HE LYS 46 2HE LYS 46 17.971 -0.168 10.805 352 2HE LYS 46 1HE LYS 46 16.377 -0.050 10.059 353 1HZ LYS 46 1HZ LYS 46 16.539 -2.281 10.087 354 2HZ LYS 46 2HZ LYS 46 18.238 -2.281 10.123 355 3HZ LYS 46 3HZ LYS 46 17.417 -2.043 8.655 356 H GLN 47 H GLN 47 18.664 -0.378 3.398 357 HA GLN 47 HA GLN 47 18.255 2.518 3.131 358 1HB GLN 47 2HB GLN 47 18.389 2.130 0.728 359 2HB GLN 47 1HB GLN 47 19.768 1.377 1.530 360 1HG GLN 47 2HG GLN 47 18.292 -0.755 1.602 361 2HG GLN 47 1HG GLN 47 17.315 0.058 0.381 362 1HE2 GLN 47 1HE2 GLN 47 19.209 1.308 -1.218 363 2HE2 GLN 47 2HE2 GLN 47 20.253 0.157 -1.900 364 H TRP 48 H TRP 48 16.281 3.369 3.017 365 HA TRP 48 HA TRP 48 13.964 1.607 2.969 366 1HB TRP 48 2HB TRP 48 14.321 4.573 3.397 367 2HB TRP 48 1HB TRP 48 12.731 3.820 3.269 368 HD1 TRP 48 HD TRP 48 15.316 1.652 4.864 369 HE1 TRP 48 1HE TRP 48 14.908 1.519 7.407 370 HE3 TRP 48 3HE TRP 48 11.835 5.351 5.394 371 HZ2 TRP 48 2HZ TRP 48 13.316 2.812 9.401 372 HZ3 TRP 48 3HZ TRP 48 10.891 5.879 7.623 373 HH2 TRP 48 HH TRP 48 11.625 4.615 9.626 374 H ALA 49 H ALA 49 12.454 1.485 1.366 375 HA ALA 49 HA ALA 49 12.771 3.194 -1.006 376 1HB ALA 49 1HB ALA 49 14.022 1.301 -1.687 377 2HB ALA 49 2HB ALA 49 12.428 1.078 -2.409 378 3HB ALA 49 3HB ALA 49 12.873 0.179 -0.958 379 H TYR 50 H TYR 50 10.879 3.416 -2.253 380 HA TYR 50 HA TYR 50 8.431 2.337 -0.987 381 1HB TYR 50 2HB TYR 50 9.054 5.100 -1.989 382 2HB TYR 50 1HB TYR 50 7.389 4.518 -1.936 383 HD1 TYR 50 1HD TYR 50 10.086 5.928 -0.042 384 HD2 TYR 50 2HD TYR 50 6.549 3.514 0.293 385 HE1 TYR 50 1HE TYR 50 10.000 6.393 2.392 386 HE2 TYR 50 2HE TYR 50 6.462 3.980 2.727 387 HH TYR 50 HH TYR 50 9.079 5.528 4.396 388 H TYR 51 H TYR 51 6.877 1.520 -2.312 389 HA TYR 51 HA TYR 51 7.343 1.687 -5.226 390 1HB TYR 51 2HB TYR 51 8.030 -0.502 -4.785 391 2HB TYR 51 1HB TYR 51 6.833 -0.724 -3.508 392 HD1 TYR 51 1HD TYR 51 7.406 -0.669 -7.146 393 HD2 TYR 51 2HD TYR 51 4.498 -1.221 -4.032 394 HE1 TYR 51 1HE TYR 51 5.827 -1.641 -8.792 395 HE2 TYR 51 2HE TYR 51 2.919 -2.193 -5.680 396 HH TYR 51 HH TYR 51 2.528 -2.573 -7.845 397 H ASN 52 H ASN 52 5.662 2.592 -6.212 398 HA ASN 52 HA ASN 52 3.117 2.859 -4.844 399 1HB ASN 52 2HB ASN 52 3.925 4.777 -6.063 400 2HB ASN 52 1HB ASN 52 4.097 3.824 -7.537 401 1HD2 ASN 52 1HD2 ASN 52 1.680 5.197 -5.297 402 2HD2 ASN 52 2HD2 ASN 52 0.385 5.112 -6.391 403 H ASP 53 H ASP 53 1.645 1.296 -4.920 404 HA ASP 53 HA ASP 53 1.694 -0.751 -6.955 405 1HB ASP 53 2HB ASP 53 1.083 -1.228 -4.594 406 2HB ASP 53 1HB ASP 53 -0.359 -0.234 -4.792 407 H THR 54 H THR 54 -0.329 2.032 -6.142 408 HA THR 54 HA THR 54 -2.432 1.569 -7.943 409 HB THR 54 HB THR 54 -2.806 4.029 -7.795 410 HG1 THR 54 1HG THR 54 -0.231 4.009 -7.291 411 1HG2 THR 54 1HG2 THR 54 -3.344 4.030 -5.462 412 2HG2 THR 54 2HG2 THR 54 -2.082 2.850 -5.107 413 3HG2 THR 54 3HG2 THR 54 -3.515 2.363 -6.013 414 H THR 55 H THR 55 -2.879 2.872 -9.924 415 HA THR 55 HA THR 55 -0.422 3.302 -11.513 416 HB THR 55 HB THR 55 -1.906 2.546 -13.481 417 HG1 THR 55 1HG THR 55 -3.867 2.194 -12.810 418 1HG2 THR 55 1HG2 THR 55 -1.268 0.235 -13.140 419 2HG2 THR 55 2HG2 THR 55 -1.166 0.476 -11.396 420 3HG2 THR 55 3HG2 THR 55 -0.002 1.259 -12.465 421 H GLN 56 H GLN 56 -2.845 4.859 -10.074 422 HA GLN 56 HA GLN 56 -2.853 6.986 -12.103 423 1HB GLN 56 2HB GLN 56 -5.212 7.311 -11.982 424 2HB GLN 56 1HB GLN 56 -4.969 5.586 -12.259 425 1HG GLN 56 2HG GLN 56 -5.051 5.328 -9.706 426 2HG GLN 56 1HG GLN 56 -5.680 6.974 -9.672 427 1HE2 GLN 56 1HE2 GLN 56 -7.913 7.189 -9.957 428 2HE2 GLN 56 2HE2 GLN 56 -8.927 5.969 -10.562 429 H TYR 57 H TYR 57 -2.101 6.104 -9.078 430 HA TYR 57 HA TYR 57 -2.619 8.811 -8.002 431 1HB TYR 57 2HB TYR 57 -2.725 6.151 -6.570 432 2HB TYR 57 1HB TYR 57 -2.673 7.703 -5.735 433 HD1 TYR 57 1HD TYR 57 -4.468 9.453 -6.352 434 HD2 TYR 57 2HD TYR 57 -4.772 5.287 -7.357 435 HE1 TYR 57 1HE TYR 57 -6.915 9.707 -6.668 436 HE2 TYR 57 2HE TYR 57 -7.219 5.541 -7.673 437 HH TYR 57 HH TYR 57 -8.740 8.602 -7.844 438 H GLU 58 H GLU 58 -0.852 9.897 -7.408 439 HA GLU 58 HA GLU 58 1.724 8.509 -7.357 440 1HB GLU 58 2HB GLU 58 2.542 10.950 -7.060 441 2HB GLU 58 1HB GLU 58 1.872 10.479 -8.622 442 1HG GLU 58 2HG GLU 58 -0.291 11.431 -8.031 443 2HG GLU 58 1HG GLU 58 0.285 11.807 -6.408 444 H MET 59 H MET 59 2.841 8.094 -5.544 445 HA MET 59 HA MET 59 1.592 8.781 -2.989 446 1HB MET 59 2HB MET 59 3.639 6.783 -3.883 447 2HB MET 59 1HB MET 59 3.554 7.240 -2.182 448 1HG MET 59 2HG MET 59 2.112 5.227 -3.014 449 2HG MET 59 1HG MET 59 1.376 6.408 -1.932 450 1HE MET 59 1HE MET 59 -1.433 5.282 -4.312 451 2HE MET 59 2HE MET 59 -1.309 6.090 -2.751 452 3HE MET 59 3HE MET 59 -0.316 4.672 -3.083 453 H HIS 60 H HIS 60 2.232 10.512 -1.893 454 HA HIS 60 HA HIS 60 4.915 11.619 -2.399 455 1HB HIS 60 2HB HIS 60 2.495 12.852 -1.058 456 2HB HIS 60 1HB HIS 60 4.039 13.663 -1.320 457 HD1 HIS 60 1HD HIS 60 4.227 14.918 -3.466 458 HD2 HIS 60 2HD HIS 60 1.338 11.922 -3.694 459 HE1 HIS 60 1HE HIS 60 3.152 15.132 -5.749 460 HE2 HIS 60 2HE HIS 60 1.389 13.312 -5.905 461 H VAL 61 H VAL 61 6.408 10.853 -1.035 462 HA VAL 61 HA VAL 61 5.657 9.991 1.646 463 HB VAL 61 HB VAL 61 8.249 9.871 0.095 464 1HG1 VAL 61 1HG1 VAL 61 8.911 10.104 2.374 465 2HG1 VAL 61 2HG1 VAL 61 8.930 8.368 2.059 466 3HG1 VAL 61 3HG1 VAL 61 7.584 9.089 2.940 467 1HG2 VAL 61 1HG2 VAL 61 6.273 8.336 -0.459 468 2HG2 VAL 61 2HG2 VAL 61 6.500 7.632 1.141 469 3HG2 VAL 61 3HG2 VAL 61 7.789 7.530 -0.059 470 H LEU 62 H LEU 62 6.041 11.083 3.477 471 HA LEU 62 HA LEU 62 7.974 13.290 3.479 472 1HB LEU 62 2HB LEU 62 5.798 14.324 2.963 473 2HB LEU 62 1HB LEU 62 5.106 13.584 4.406 474 HG LEU 62 HG LEU 62 6.943 14.765 5.729 475 1HD1 LEU 62 1HD1 LEU 62 8.534 15.384 4.107 476 2HD1 LEU 62 2HD1 LEU 62 7.700 16.901 4.444 477 3HD1 LEU 62 3HD1 LEU 62 7.303 15.979 2.994 478 1HD2 LEU 62 1HD2 LEU 62 4.605 15.554 5.690 479 2HD2 LEU 62 2HD2 LEU 62 4.929 16.459 4.212 480 3HD2 LEU 62 3HD2 LEU 62 5.720 16.919 5.720 481 H VAL 63 H VAL 63 9.290 12.066 4.838 482 HA VAL 63 HA VAL 63 8.147 11.394 7.482 483 HB VAL 63 HB VAL 63 10.593 10.221 6.138 484 1HG1 VAL 63 1HG1 VAL 63 10.705 10.179 8.587 485 2HG1 VAL 63 2HG1 VAL 63 10.410 8.553 7.972 486 3HG1 VAL 63 3HG1 VAL 63 9.086 9.486 8.667 487 1HG2 VAL 63 1HG2 VAL 63 7.885 8.944 6.609 488 2HG2 VAL 63 2HG2 VAL 63 9.237 8.279 5.694 489 3HG2 VAL 63 3HG2 VAL 63 8.354 9.673 5.072 490 H THR 64 H THR 64 9.047 12.234 9.287 491 HA THR 64 HA THR 64 11.388 14.007 8.925 492 HB THR 64 HB THR 64 9.139 14.218 10.943 493 HG1 THR 64 1HG THR 64 8.488 15.925 9.706 494 1HG2 THR 64 1HG2 THR 64 11.589 15.916 10.409 495 2HG2 THR 64 2HG2 THR 64 11.196 15.051 11.895 496 3HG2 THR 64 3HG2 THR 64 10.228 16.442 11.402 497 H PHE 65 H PHE 65 13.149 13.663 10.164 498 HA PHE 65 HA PHE 65 12.941 11.597 12.273 499 1HB PHE 65 2HB PHE 65 15.514 12.198 10.861 500 2HB PHE 65 1HB PHE 65 14.986 10.703 11.634 501 HD1 PHE 65 1HD PHE 65 13.553 9.121 10.481 502 HD2 PHE 65 2HD PHE 65 14.669 12.833 8.631 503 HE1 PHE 65 1HE PHE 65 12.715 8.286 8.301 504 HE2 PHE 65 2HE PHE 65 13.832 11.999 6.452 505 HZ PHE 65 HZ PHE 65 12.855 9.726 6.286 506 H ASN 66 H ASN 66 14.487 11.802 14.042 507 HA ASN 66 HA ASN 66 14.633 14.521 14.992 508 1HB ASN 66 2HB ASN 66 14.155 12.468 16.416 509 2HB ASN 66 1HB ASN 66 15.869 12.082 16.272 510 1HD2 ASN 66 1HD2 ASN 66 17.155 12.960 17.895 511 2HD2 ASN 66 2HD2 ASN 66 16.757 14.329 18.817 512 H GLU 67 H GLU 67 16.602 15.533 15.751 513 HA GLU 67 HA GLU 67 18.607 15.770 13.867 514 1HB GLU 67 2HB GLU 67 18.433 17.448 15.545 515 2HB GLU 67 1HB GLU 67 18.641 16.273 16.844 516 1HG GLU 67 2HG GLU 67 20.934 15.958 16.348 517 2HG GLU 67 1HG GLU 67 20.776 16.697 14.755 518 H ASP 68 H ASP 68 18.701 13.834 16.862 519 HA ASP 68 HA ASP 68 21.238 12.650 16.203 520 1HB ASP 68 2HB ASP 68 20.391 12.999 18.544 521 2HB ASP 68 1HB ASP 68 19.219 11.715 18.250 522 H CYS 69 H CYS 69 20.578 11.920 14.022 523 HA CYS 69 HA CYS 69 19.751 9.135 14.141 524 1HB CYS 69 2HB CYS 69 18.264 11.052 12.334 525 2HB CYS 69 1HB CYS 69 17.956 9.329 12.549 526 HG CYS 69 HG CYS 69 16.961 11.537 14.388 527 H ASP 70 H ASP 70 21.332 8.157 13.060 528 HA ASP 70 HA ASP 70 22.914 9.516 11.079 529 1HB ASP 70 2HB ASP 70 23.739 7.724 12.684 530 2HB ASP 70 1HB ASP 70 22.902 6.555 11.665 531 H ILE 71 H ILE 71 21.216 10.069 9.567 532 HA ILE 71 HA ILE 71 20.471 7.792 7.830 533 HB ILE 71 HB ILE 71 18.396 9.021 7.284 534 1HG1 ILE 71 2HG1 ILE 71 19.347 10.899 9.472 535 2HG1 ILE 71 1HG1 ILE 71 19.226 11.295 7.758 536 1HG2 ILE 71 1HG2 ILE 71 18.489 7.333 9.138 537 2HG2 ILE 71 2HG2 ILE 71 17.247 8.561 9.376 538 3HG2 ILE 71 3HG2 ILE 71 18.763 8.656 10.272 539 1HD1 ILE 71 1HD1 ILE 71 16.752 10.640 7.941 540 2HD1 ILE 71 2HD1 ILE 71 17.226 12.146 8.728 541 3HD1 ILE 71 3HD1 ILE 71 16.983 10.686 9.688 542 H LYS 72 H LYS 72 20.213 8.325 5.564 543 HA LYS 72 HA LYS 72 21.484 10.829 4.696 544 1HB LYS 72 2HB LYS 72 23.113 8.779 4.886 545 2HB LYS 72 1HB LYS 72 22.329 8.269 3.390 546 1HG LYS 72 2HG LYS 72 22.800 10.629 2.513 547 2HG LYS 72 1HG LYS 72 23.864 10.821 3.906 548 1HD LYS 72 2HD LYS 72 25.386 10.001 2.370 549 2HD LYS 72 1HD LYS 72 24.812 8.482 3.059 550 1HE LYS 72 2HE LYS 72 24.662 8.141 0.723 551 2HE LYS 72 1HE LYS 72 23.013 8.543 1.204 552 1HZ LYS 72 1HZ LYS 72 23.069 10.281 -0.139 553 2HZ LYS 72 2HZ LYS 72 24.643 9.871 -0.632 554 3HZ LYS 72 3HZ LYS 72 24.407 10.919 0.684 555 H ALA 73 H ALA 73 21.175 11.245 2.383 556 HA ALA 73 HA ALA 73 18.537 10.323 1.524 557 1HB ALA 73 1HB ALA 73 20.074 12.237 -0.139 558 2HB ALA 73 2HB ALA 73 19.636 12.787 1.479 559 3HB ALA 73 3HB ALA 73 18.380 12.273 0.352 560 H LEU 74 H LEU 74 18.139 9.181 -0.330 561 HA LEU 74 HA LEU 74 20.498 7.944 -1.593 562 1HB LEU 74 2HB LEU 74 17.604 7.056 -1.532 563 2HB LEU 74 1HB LEU 74 18.919 6.188 -2.326 564 HG LEU 74 HG LEU 74 18.879 6.883 0.624 565 1HD1 LEU 74 1HD1 LEU 74 17.119 5.203 -0.211 566 2HD1 LEU 74 2HD1 LEU 74 18.200 4.648 1.068 567 3HD1 LEU 74 3HD1 LEU 74 18.478 4.149 -0.600 568 1HD2 LEU 74 1HD2 LEU 74 21.123 6.567 0.098 569 2HD2 LEU 74 2HD2 LEU 74 20.762 5.461 -1.228 570 3HD2 LEU 74 3HD2 LEU 74 20.640 4.906 0.443 571 H GLY 75 H GLY 75 17.398 7.812 -3.116 572 1HA GLY 75 2HA GLY 75 18.318 8.641 -5.624 573 2HA GLY 75 1HA GLY 75 16.626 8.592 -5.139 574 H LYS 76 H LYS 76 16.120 10.506 -6.245 575 HA LYS 76 HA LYS 76 17.551 12.946 -5.884 576 1HB LYS 76 2HB LYS 76 15.449 13.959 -6.884 577 2HB LYS 76 1HB LYS 76 16.237 12.721 -7.865 578 1HG LYS 76 2HG LYS 76 14.450 11.346 -7.730 579 2HG LYS 76 1HG LYS 76 14.317 11.575 -5.986 580 1HD LYS 76 2HD LYS 76 13.015 13.551 -6.239 581 2HD LYS 76 1HD LYS 76 13.418 13.689 -7.951 582 1HE LYS 76 2HE LYS 76 11.826 11.405 -6.749 583 2HE LYS 76 1HE LYS 76 11.111 12.799 -7.560 584 1HZ LYS 76 1HZ LYS 76 11.898 10.509 -8.772 585 2HZ LYS 76 2HZ LYS 76 13.206 11.549 -9.075 586 3HZ LYS 76 3HZ LYS 76 11.637 11.991 -9.554 587 H THR 77 H THR 77 15.863 11.229 -3.687 588 HA THR 77 HA THR 77 14.044 12.874 -2.438 589 HB THR 77 HB THR 77 16.101 11.072 -1.138 590 HG1 THR 77 1HG THR 77 14.890 9.674 -2.129 591 1HG2 THR 77 1HG2 THR 77 15.248 12.480 0.578 592 2HG2 THR 77 2HG2 THR 77 14.290 11.002 0.674 593 3HG2 THR 77 3HG2 THR 77 13.618 12.439 -0.096 594 H LYS 78 H LYS 78 14.207 14.930 -1.834 595 HA LYS 78 HA LYS 78 16.750 16.207 -1.413 596 1HB LYS 78 2HB LYS 78 14.702 17.315 -2.400 597 2HB LYS 78 1HB LYS 78 14.014 17.319 -0.776 598 1HG LYS 78 2HG LYS 78 15.038 19.409 -0.828 599 2HG LYS 78 1HG LYS 78 16.319 18.420 -0.125 600 1HD LYS 78 2HD LYS 78 17.377 18.165 -2.310 601 2HD LYS 78 1HD LYS 78 16.055 19.044 -3.081 602 1HE LYS 78 2HE LYS 78 16.615 21.036 -1.689 603 2HE LYS 78 1HE LYS 78 17.994 20.155 -1.031 604 1HZ LYS 78 1HZ LYS 78 18.872 19.926 -3.271 605 2HZ LYS 78 2HZ LYS 78 18.653 21.564 -2.874 606 3HZ LYS 78 3HZ LYS 78 17.549 20.781 -3.900 607 H LEU 79 H LEU 79 17.872 16.210 0.417 608 HA LEU 79 HA LEU 79 16.421 15.770 2.959 609 1HB LEU 79 2HB LEU 79 17.874 13.891 2.464 610 2HB LEU 79 1HB LEU 79 19.236 14.976 2.179 611 HG LEU 79 HG LEU 79 19.171 15.723 4.508 612 1HD1 LEU 79 1HD1 LEU 79 16.942 15.661 5.194 613 2HD1 LEU 79 2HD1 LEU 79 17.594 14.240 6.011 614 3HD1 LEU 79 3HD1 LEU 79 16.674 14.055 4.518 615 1HD2 LEU 79 1HD2 LEU 79 19.630 13.463 5.606 616 2HD2 LEU 79 2HD2 LEU 79 20.559 13.803 4.146 617 3HD2 LEU 79 3HD2 LEU 79 19.165 12.726 4.074 618 H GLU 80 H GLU 80 16.565 17.316 4.460 619 HA GLU 80 HA GLU 80 18.857 19.106 4.557 620 1HB GLU 80 2HB GLU 80 17.420 21.140 4.463 621 2HB GLU 80 1HB GLU 80 17.464 20.259 2.936 622 1HG GLU 80 2HG GLU 80 15.335 19.136 3.545 623 2HG GLU 80 1HG GLU 80 15.280 20.083 5.031 624 H GLN 81 H GLN 81 19.005 20.266 6.524 625 HA GLN 81 HA GLN 81 17.266 19.183 8.654 626 1HB GLN 81 2HB GLN 81 19.708 18.666 8.801 627 2HB GLN 81 1HB GLN 81 20.025 20.397 8.926 628 1HG GLN 81 2HG GLN 81 18.655 20.527 10.954 629 2HG GLN 81 1HG GLN 81 18.261 18.814 10.818 630 1HE2 GLN 81 1HE2 GLN 81 19.454 19.459 13.176 631 2HE2 GLN 81 2HE2 GLN 81 21.087 18.995 13.194 632 H GLN 82 H GLN 82 16.517 20.580 10.299 633 HA GLN 82 HA GLN 82 16.333 23.399 9.444 634 1HB GLN 82 2HB GLN 82 14.561 22.220 11.547 635 2HB GLN 82 1HB GLN 82 14.217 23.493 10.376 636 1HG GLN 82 2HG GLN 82 14.485 20.530 9.805 637 2HG GLN 82 1HG GLN 82 13.013 21.495 9.708 638 1HE2 GLN 82 1HE2 GLN 82 15.149 20.071 7.701 639 2HE2 GLN 82 2HE2 GLN 82 15.169 21.190 6.425 640 H GLU 83 H GLU 83 16.100 24.974 11.299 641 HA GLU 83 HA GLU 83 18.405 24.899 12.924 642 1HB GLU 83 2HB GLU 83 15.906 26.577 13.257 643 2HB GLU 83 1HB GLU 83 17.473 26.897 14.000 644 1HG GLU 83 2HG GLU 83 18.485 27.053 11.730 645 2HG GLU 83 1HG GLU 83 16.884 26.830 11.027 646 H ASN 84 H ASN 84 15.031 24.070 13.550 647 HA ASN 84 HA ASN 84 15.168 23.780 16.340 648 1HB ASN 84 2HB ASN 84 13.235 22.192 16.014 649 2HB ASN 84 1HB ASN 84 13.025 23.775 15.266 650 1HD2 ASN 84 1HD2 ASN 84 14.724 20.754 14.230 651 2HD2 ASN 84 2HD2 ASN 84 13.969 20.686 12.712 652 H GLY 85 H GLY 85 16.355 21.780 13.764 653 1HA GLY 85 2HA GLY 85 18.083 20.175 14.120 654 2HA GLY 85 1HA GLY 85 17.486 19.939 15.761 655 H GLU 86 H GLU 86 15.986 19.809 12.523 656 HA GLU 86 HA GLU 86 15.229 17.010 13.054 657 1HB GLU 86 2HB GLU 86 13.381 19.209 12.101 658 2HB GLU 86 1HB GLU 86 12.982 17.491 12.070 659 1HG GLU 86 2HG GLU 86 13.801 18.981 14.576 660 2HG GLU 86 1HG GLU 86 12.125 18.706 14.105 661 H TRP 87 H TRP 87 15.281 15.685 11.291 662 HA TRP 87 HA TRP 87 16.363 16.855 8.821 663 1HB TRP 87 2HB TRP 87 16.265 14.024 9.873 664 2HB TRP 87 1HB TRP 87 16.817 14.433 8.249 665 HD1 TRP 87 HD TRP 87 17.839 14.548 11.879 666 HE1 TRP 87 1HE TRP 87 20.276 15.368 12.057 667 HE3 TRP 87 3HE TRP 87 18.619 16.046 7.061 668 HZ2 TRP 87 2HZ TRP 87 22.293 16.503 10.376 669 HZ3 TRP 87 3HZ TRP 87 20.802 17.003 6.379 670 HH2 TRP 87 HH TRP 87 22.641 17.222 8.026 671 H VAL 88 H VAL 88 15.189 17.001 7.011 672 HA VAL 88 HA VAL 88 12.578 15.610 6.944 673 HB VAL 88 HB VAL 88 13.405 18.254 5.727 674 1HG1 VAL 88 1HG1 VAL 88 10.915 16.567 5.425 675 2HG1 VAL 88 2HG1 VAL 88 11.935 17.236 4.152 676 3HG1 VAL 88 3HG1 VAL 88 10.915 18.303 5.117 677 1HG2 VAL 88 1HG2 VAL 88 11.494 19.041 7.207 678 2HG2 VAL 88 2HG2 VAL 88 12.925 18.485 8.074 679 3HG2 VAL 88 3HG2 VAL 88 11.510 17.441 7.947 680 H ALA 89 H ALA 89 12.120 14.328 5.243 681 HA ALA 89 HA ALA 89 13.792 14.483 2.833 682 1HB ALA 89 1HB ALA 89 14.734 12.758 4.436 683 2HB ALA 89 2HB ALA 89 14.303 12.149 2.839 684 3HB ALA 89 3HB ALA 89 13.237 11.853 4.212 685 H SER 90 H SER 90 12.225 15.021 1.413 686 HA SER 90 HA SER 90 9.791 13.338 1.364 687 1HB SER 90 2HB SER 90 8.574 15.235 0.491 688 2HB SER 90 1HB SER 90 9.395 15.732 1.968 689 HG SER 90 HG SER 90 9.858 17.279 0.482 690 H VAL 91 H VAL 91 9.105 12.533 -0.593 691 HA VAL 91 HA VAL 91 10.312 13.335 -3.084 692 HB VAL 91 HB VAL 91 12.034 11.813 -2.014 693 1HG1 VAL 91 1HG1 VAL 91 11.564 9.470 -1.837 694 2HG1 VAL 91 2HG1 VAL 91 10.011 9.653 -2.653 695 3HG1 VAL 91 3HG1 VAL 91 10.235 10.300 -1.027 696 1HG2 VAL 91 1HG2 VAL 91 12.237 10.394 -4.114 697 2HG2 VAL 91 2HG2 VAL 91 12.081 12.127 -4.400 698 3HG2 VAL 91 3HG2 VAL 91 10.690 11.067 -4.625 699 H VAL 92 H VAL 92 9.085 12.718 -4.824 700 HA VAL 92 HA VAL 92 6.589 11.296 -4.183 701 HB VAL 92 HB VAL 92 7.285 13.007 -6.581 702 1HG1 VAL 92 1HG1 VAL 92 4.767 12.972 -6.850 703 2HG1 VAL 92 2HG1 VAL 92 4.723 11.704 -5.625 704 3HG1 VAL 92 3HG1 VAL 92 5.559 11.426 -7.152 705 1HG2 VAL 92 1HG2 VAL 92 7.211 14.407 -4.624 706 2HG2 VAL 92 2HG2 VAL 92 5.782 13.572 -4.011 707 3HG2 VAL 92 3HG2 VAL 92 5.660 14.596 -5.442 708 H VAL 93 H VAL 93 6.125 9.359 -5.038 709 HA VAL 93 HA VAL 93 8.046 8.228 -6.977 710 HB VAL 93 HB VAL 93 6.173 6.814 -5.063 711 1HG1 VAL 93 1HG1 VAL 93 8.274 5.820 -7.009 712 2HG1 VAL 93 2HG1 VAL 93 6.548 5.459 -7.032 713 3HG1 VAL 93 3HG1 VAL 93 7.566 4.820 -5.740 714 1HG2 VAL 93 1HG2 VAL 93 9.196 6.945 -4.994 715 2HG2 VAL 93 2HG2 VAL 93 8.109 6.350 -3.739 716 3HG2 VAL 93 3HG2 VAL 93 8.182 8.076 -4.098 717 H TYR 94 H TYR 94 7.361 7.582 -8.938 718 HA TYR 94 HA TYR 94 4.554 8.053 -9.621 719 1HB TYR 94 2HB TYR 94 6.928 7.411 -11.388 720 2HB TYR 94 1HB TYR 94 5.317 7.862 -11.946 721 HD1 TYR 94 1HD TYR 94 8.498 9.126 -11.400 722 HD2 TYR 94 2HD TYR 94 4.382 10.068 -10.615 723 HE1 TYR 94 1HE TYR 94 9.090 11.524 -11.176 724 HE2 TYR 94 2HE TYR 94 4.974 12.466 -10.390 725 HH TYR 94 HH TYR 94 6.866 13.981 -11.268 726 HA PRO 95 HA PRO 95 3.335 3.856 -9.645 727 1HB PRO 95 2HB PRO 95 1.770 3.794 -11.930 728 2HB PRO 95 1HB PRO 95 1.239 4.423 -10.359 729 1HG PRO 95 2HG PRO 95 2.216 5.890 -12.755 730 2HG PRO 95 1HG PRO 95 0.920 6.310 -11.623 731 1HD PRO 95 2HD PRO 95 3.336 7.517 -11.511 732 2HD PRO 95 1HD PRO 95 2.396 7.178 -10.041 733 H CYS 96 H CYS 96 3.849 1.852 -10.545 734 HA CYS 96 HA CYS 96 4.973 0.324 -11.840 735 1HB CYS 96 2HB CYS 96 3.569 1.557 -13.645 736 2HB CYS 96 1HB CYS 96 5.094 2.334 -14.073 737 HG CYS 96 HG CYS 96 4.628 -0.050 -15.348 738 H GLU 97 H GLU 97 6.311 2.556 -10.292 739 HA GLU 97 HA GLU 97 9.004 2.047 -11.315 740 1HB GLU 97 2HB GLU 97 7.903 4.829 -10.846 741 2HB GLU 97 1HB GLU 97 9.605 4.453 -11.116 742 1HG GLU 97 2HG GLU 97 8.950 3.378 -13.294 743 2HG GLU 97 1HG GLU 97 7.312 3.975 -13.035 744 H THR 98 H THR 98 10.466 1.793 -9.712 745 HA THR 98 HA THR 98 9.585 2.445 -6.963 746 HB THR 98 HB THR 98 11.606 0.319 -7.648 747 HG1 THR 98 1HG THR 98 9.979 -0.646 -8.565 748 1HG2 THR 98 1HG2 THR 98 9.797 0.915 -5.295 749 2HG2 THR 98 2HG2 THR 98 11.560 0.966 -5.330 750 3HG2 THR 98 3HG2 THR 98 10.720 -0.579 -5.457 751 H GLU 99 H GLU 99 10.717 4.002 -6.009 752 HA GLU 99 HA GLU 99 13.471 4.521 -6.959 753 1HB GLU 99 2HB GLU 99 11.558 6.491 -5.689 754 2HB GLU 99 1HB GLU 99 13.138 6.849 -6.388 755 1HG GLU 99 2HG GLU 99 12.303 6.019 -8.591 756 2HG GLU 99 1HG GLU 99 10.707 5.814 -7.872 757 H MET 100 H MET 100 14.951 5.408 -5.331 758 HA MET 100 HA MET 100 14.701 3.957 -2.824 759 1HB MET 100 2HB MET 100 16.933 5.778 -3.751 760 2HB MET 100 1HB MET 100 17.002 4.592 -2.446 761 1HG MET 100 2HG MET 100 16.555 3.976 -5.382 762 2HG MET 100 1HG MET 100 18.039 3.680 -4.477 763 1HE MET 100 1HE MET 100 18.187 2.557 -2.435 764 2HE MET 100 2HE MET 100 17.454 0.990 -2.099 765 3HE MET 100 3HE MET 100 16.678 2.461 -1.517 766 H PHE 101 H PHE 101 14.939 4.951 -0.749 767 HA PHE 101 HA PHE 101 13.915 7.726 -0.692 768 1HB PHE 101 2HB PHE 101 12.352 6.026 0.210 769 2HB PHE 101 1HB PHE 101 13.577 5.553 1.388 770 HD1 PHE 101 1HD PHE 101 12.683 6.250 3.464 771 HD2 PHE 101 2HD PHE 101 12.694 8.957 0.130 772 HE1 PHE 101 1HE PHE 101 11.893 8.075 4.944 773 HE2 PHE 101 2HE PHE 101 11.919 10.787 1.614 774 HZ PHE 101 HZ PHE 101 11.513 10.345 4.020 775 H ILE 102 H ILE 102 14.864 6.248 2.247 776 HA ILE 102 HA ILE 102 17.453 7.674 2.206 777 HB ILE 102 HB ILE 102 17.085 8.469 4.449 778 1HG1 ILE 102 2HG1 ILE 102 14.664 8.025 5.376 779 2HG1 ILE 102 1HG1 ILE 102 14.707 6.633 4.293 780 1HG2 ILE 102 1HG2 ILE 102 16.134 9.881 2.711 781 2HG2 ILE 102 2HG2 ILE 102 15.042 9.879 4.095 782 3HG2 ILE 102 3HG2 ILE 102 14.666 8.907 2.673 783 1HD1 ILE 102 1HD1 ILE 102 16.090 5.503 5.671 784 2HD1 ILE 102 2HD1 ILE 102 15.788 6.761 6.870 785 3HD1 ILE 102 3HD1 ILE 102 17.184 6.881 5.799 786 H GLU 103 H GLU 103 19.013 6.863 3.773 787 HA GLU 103 HA GLU 103 18.496 4.091 4.648 788 1HB GLU 103 2HB GLU 103 20.664 3.383 3.871 789 2HB GLU 103 1HB GLU 103 19.826 4.147 2.519 790 1HG GLU 103 2HG GLU 103 21.919 5.171 2.403 791 2HG GLU 103 1HG GLU 103 21.014 6.327 3.379 792 H GLY 104 H GLY 104 20.604 3.415 6.006 793 1HA GLY 104 2HA GLY 104 22.197 4.070 7.658 794 2HA GLY 104 1HA GLY 104 21.416 5.645 7.747 795 H ARG 105 H ARG 105 21.411 5.320 10.076 796 HA ARG 105 HA ARG 105 19.581 3.267 11.090 797 1HB ARG 105 2HB ARG 105 21.801 3.687 12.191 798 2HB ARG 105 1HB ARG 105 21.208 5.282 12.653 799 1HG ARG 105 2HG ARG 105 19.298 4.200 13.829 800 2HG ARG 105 1HG ARG 105 19.978 2.621 13.431 801 1HD ARG 105 2HD ARG 105 21.349 4.774 15.067 802 2HD ARG 105 1HD ARG 105 20.622 3.304 15.710 803 HE ARG 105 HE ARG 105 23.203 3.521 14.497 804 1HH1 ARG 105 1HH2 ARG 105 20.423 1.488 14.841 805 2HH1 ARG 105 2HH2 ARG 105 21.303 0.013 14.613 806 1HH2 ARG 105 1HH1 ARG 105 24.363 1.591 14.200 807 2HH2 ARG 105 2HH1 ARG 105 23.532 0.072 14.250 808 H VAL 106 H VAL 106 17.659 3.717 12.109 809 HA VAL 106 HA VAL 106 16.798 6.546 12.139 810 HB VAL 106 HB VAL 106 14.951 4.258 11.471 811 1HG1 VAL 106 1HG1 VAL 106 14.111 6.533 12.272 812 2HG1 VAL 106 2HG1 VAL 106 13.493 5.996 10.709 813 3HG1 VAL 106 3HG1 VAL 106 14.779 7.200 10.783 814 1HG2 VAL 106 1HG2 VAL 106 15.234 5.125 9.079 815 2HG2 VAL 106 2HG2 VAL 106 16.581 4.185 9.721 816 3HG2 VAL 106 3HG2 VAL 106 16.687 5.944 9.652 817 H ASN 107 H ASN 107 15.751 7.211 13.932 818 HA ASN 107 HA ASN 107 14.790 5.204 15.857 819 1HB ASN 107 2HB ASN 107 15.990 6.096 17.671 820 2HB ASN 107 1HB ASN 107 17.179 6.037 16.371 821 1HD2 ASN 107 1HD2 ASN 107 18.115 8.014 15.711 822 2HD2 ASN 107 2HD2 ASN 107 17.635 9.530 16.306 823 H GLY 108 H GLY 108 12.762 5.686 16.390 824 1HA GLY 108 2HA GLY 108 10.784 6.876 16.550 825 2HA GLY 108 1HA GLY 108 11.780 8.009 17.459 826 H PHE 109 H PHE 109 10.141 7.399 14.487 827 HA PHE 109 HA PHE 109 10.881 10.103 13.557 828 1HB PHE 109 2HB PHE 109 10.900 9.255 11.236 829 2HB PHE 109 1HB PHE 109 12.142 8.482 12.223 830 HD1 PHE 109 1HD PHE 109 11.894 6.155 12.975 831 HD2 PHE 109 2HD PHE 109 8.942 8.024 10.478 832 HE1 PHE 109 1HE PHE 109 10.913 3.933 12.472 833 HE2 PHE 109 2HE PHE 109 7.962 5.802 9.973 834 HZ PHE 109 HZ PHE 109 8.947 3.757 10.970 835 H LYS 110 H LYS 110 9.312 11.020 12.031 836 HA LYS 110 HA LYS 110 6.575 10.132 12.683 837 1HB LYS 110 2HB LYS 110 7.308 12.480 13.287 838 2HB LYS 110 1HB LYS 110 7.411 12.809 11.557 839 1HG LYS 110 2HG LYS 110 4.993 11.924 11.427 840 2HG LYS 110 1HG LYS 110 4.967 12.097 13.181 841 1HD LYS 110 2HD LYS 110 5.494 14.285 11.151 842 2HD LYS 110 1HD LYS 110 4.087 14.136 12.203 843 1HE LYS 110 2HE LYS 110 6.940 14.749 12.988 844 2HE LYS 110 1HE LYS 110 5.499 15.724 13.278 845 1HZ LYS 110 1HZ LYS 110 4.670 14.017 14.756 846 2HZ LYS 110 2HZ LYS 110 6.205 14.535 15.267 847 3HZ LYS 110 3HZ LYS 110 6.032 13.051 14.458 848 H SER 111 H SER 111 5.459 9.140 11.139 849 HA SER 111 HA SER 111 6.387 9.354 8.356 850 1HB SER 111 2HB SER 111 4.724 7.368 8.120 851 2HB SER 111 1HB SER 111 6.269 7.093 8.919 852 HG SER 111 HG SER 111 5.272 7.124 10.865 853 H LYS 112 H LYS 112 5.352 10.702 7.059 854 HA LYS 112 HA LYS 112 2.433 11.026 7.381 855 1HB LYS 112 2HB LYS 112 3.739 13.023 8.214 856 2HB LYS 112 1HB LYS 112 4.316 13.246 6.562 857 1HG LYS 112 2HG LYS 112 2.433 14.620 6.573 858 2HG LYS 112 1HG LYS 112 1.756 13.110 5.959 859 1HD LYS 112 2HD LYS 112 0.943 12.511 8.166 860 2HD LYS 112 1HD LYS 112 1.746 13.909 8.882 861 1HE LYS 112 2HE LYS 112 -0.581 14.482 8.593 862 2HE LYS 112 1HE LYS 112 0.341 15.377 7.384 863 1HZ LYS 112 1HZ LYS 112 -0.397 14.038 5.694 864 2HZ LYS 112 2HZ LYS 112 -1.770 14.069 6.694 865 3HZ LYS 112 3HZ LYS 112 -0.732 12.725 6.714 866 H MET 113 H MET 113 1.461 10.243 5.624 867 HA MET 113 HA MET 113 2.717 10.716 2.993 868 1HB MET 113 2HB MET 113 1.471 8.140 3.973 869 2HB MET 113 1HB MET 113 1.943 8.452 2.302 870 1HG MET 113 2HG MET 113 3.826 7.353 3.176 871 2HG MET 113 1HG MET 113 4.266 9.055 3.320 872 1HE MET 113 1HE MET 113 3.639 5.953 6.531 873 2HE MET 113 2HE MET 113 4.228 5.811 4.876 874 3HE MET 113 3HE MET 113 2.510 6.070 5.173 875 H ASP 114 H ASP 114 1.109 10.260 1.190 876 HA ASP 114 HA ASP 114 -1.693 10.600 1.836 877 1HB ASP 114 2HB ASP 114 -0.590 12.921 1.954 878 2HB ASP 114 1HB ASP 114 -0.396 12.780 0.207 879 H ALA 115 H ALA 115 -2.948 10.958 -0.312 880 HA ALA 115 HA ALA 115 -1.599 9.464 -2.479 881 1HB ALA 115 1HB ALA 115 -3.074 7.882 -1.489 882 2HB ALA 115 2HB ALA 115 -3.900 8.468 -2.934 883 3HB ALA 115 3HB ALA 115 -4.368 9.071 -1.344 884 H LEU 116 H LEU 116 -1.181 11.420 -3.576 885 HA LEU 116 HA LEU 116 -3.495 13.012 -4.422 886 1HB LEU 116 2HB LEU 116 -0.680 13.579 -5.278 887 2HB LEU 116 1HB LEU 116 -2.000 14.704 -4.962 888 HG LEU 116 HG LEU 116 -0.513 13.084 -2.874 889 1HD1 LEU 116 1HD1 LEU 116 0.635 15.111 -3.964 890 2HD1 LEU 116 2HD1 LEU 116 0.499 15.130 -2.206 891 3HD1 LEU 116 3HD1 LEU 116 -0.610 16.089 -3.187 892 1HD2 LEU 116 1HD2 LEU 116 -2.858 14.991 -2.731 893 2HD2 LEU 116 2HD2 LEU 116 -1.860 14.620 -1.325 894 3HD2 LEU 116 3HD2 LEU 116 -2.768 13.337 -2.125 895 HA PRO 117 HA PRO 117 -3.574 11.157 -8.426 896 1HB PRO 117 2HB PRO 117 -4.657 13.154 -9.911 897 2HB PRO 117 1HB PRO 117 -5.591 12.258 -8.698 898 1HG PRO 117 2HG PRO 117 -4.375 14.967 -8.528 899 2HG PRO 117 1HG PRO 117 -5.922 14.378 -7.896 900 1HD PRO 117 2HD PRO 117 -3.644 14.695 -6.360 901 2HD PRO 117 1HD PRO 117 -4.973 13.584 -5.958 902 H LEU 118 H LEU 118 -2.280 10.932 -10.215 903 HA LEU 118 HA LEU 118 0.225 11.976 -10.404 904 1HB LEU 118 2HB LEU 118 -1.475 11.387 -12.836 905 2HB LEU 118 1HB LEU 118 0.280 11.272 -12.701 906 HG LEU 118 HG LEU 118 -1.763 9.561 -11.258 907 1HD1 LEU 118 1HD1 LEU 118 -0.749 7.742 -12.540 908 2HD1 LEU 118 2HD1 LEU 118 0.409 8.861 -13.258 909 3HD1 LEU 118 3HD1 LEU 118 -1.307 8.999 -13.643 910 1HD2 LEU 118 1HD2 LEU 118 1.210 9.920 -10.914 911 2HD2 LEU 118 2HD2 LEU 118 0.457 8.365 -10.564 912 3HD2 LEU 118 3HD2 LEU 118 -0.040 9.803 -9.674 913 H SER 119 H SER 119 0.673 14.096 -10.184 914 HA SER 119 HA SER 119 -0.931 16.205 -11.205 915 1HB SER 119 2HB SER 119 1.966 16.196 -10.333 916 2HB SER 119 1HB SER 119 1.006 17.641 -10.635 917 HG SER 119 HG SER 119 0.502 15.604 -8.717 918 H GLU 120 H GLU 120 0.064 17.910 -12.699 919 HA GLU 120 HA GLU 120 0.284 16.910 -15.281 920 1HB GLU 120 2HB GLU 120 1.035 19.133 -15.928 921 2HB GLU 120 1HB GLU 120 -0.233 19.275 -14.709 922 1HG GLU 120 2HG GLU 120 1.576 19.449 -12.962 923 2HG GLU 120 1HG GLU 120 2.754 19.527 -14.272 924 H GLU 121 H GLU 121 2.740 17.377 -12.841 925 HA GLU 121 HA GLU 121 5.043 17.300 -14.447 926 1HB GLU 121 2HB GLU 121 4.603 16.292 -11.627 927 2HB GLU 121 1HB GLU 121 6.183 16.478 -12.388 928 1HG GLU 121 2HG GLU 121 5.701 18.888 -12.747 929 2HG GLU 121 1HG GLU 121 4.161 18.686 -11.914 930 H TYR 122 H TYR 122 2.966 14.739 -13.214 931 HA TYR 122 HA TYR 122 4.606 12.527 -13.752 932 1HB TYR 122 2HB TYR 122 2.608 12.216 -12.461 933 2HB TYR 122 1HB TYR 122 1.598 12.821 -13.774 934 HD1 TYR 122 1HD TYR 122 3.983 10.091 -12.878 935 HD2 TYR 122 2HD TYR 122 0.771 11.361 -15.432 936 HE1 TYR 122 1HE TYR 122 3.790 7.789 -13.780 937 HE2 TYR 122 2HE TYR 122 0.598 9.065 -16.355 938 HH TYR 122 HH TYR 122 1.154 6.758 -15.648 939 H ARG 123 H ARG 123 2.378 14.334 -15.824 940 HA ARG 123 HA ARG 123 2.437 12.646 -18.069 941 1HB ARG 123 2HB ARG 123 2.168 15.662 -17.966 942 2HB ARG 123 1HB ARG 123 1.755 14.643 -19.344 943 1HG ARG 123 2HG ARG 123 0.171 13.388 -17.808 944 2HG ARG 123 1HG ARG 123 0.457 14.651 -16.609 945 1HD ARG 123 2HD ARG 123 -1.537 15.242 -17.835 946 2HD ARG 123 1HD ARG 123 -0.255 16.344 -18.328 947 HE ARG 123 HE ARG 123 -0.192 14.210 -20.115 948 1HH1 ARG 123 1HH2 ARG 123 -2.382 16.678 -19.072 949 2HH1 ARG 123 2HH2 ARG 123 -3.204 16.783 -20.592 950 1HH2 ARG 123 1HH1 ARG 123 -1.269 14.338 -22.110 951 2HH2 ARG 123 2HH1 ARG 123 -2.575 15.459 -22.313 952 H GLN 124 H GLN 124 4.579 15.286 -17.076 953 HA GLN 124 HA GLN 124 6.190 15.262 -19.424 954 1HB GLN 124 2HB GLN 124 6.071 17.157 -17.796 955 2HB GLN 124 1HB GLN 124 6.969 16.167 -16.644 956 1HG GLN 124 2HG GLN 124 8.835 15.981 -18.231 957 2HG GLN 124 1HG GLN 124 7.938 16.931 -19.414 958 1HE2 GLN 124 1HE2 GLN 124 10.356 18.004 -18.715 959 2HE2 GLN 124 2HE2 GLN 124 10.160 19.321 -17.663 960 H HIS 125 H HIS 125 6.336 13.573 -16.332 961 HA HIS 125 HA HIS 125 8.911 12.497 -16.508 962 1HB HIS 125 2HB HIS 125 7.866 12.179 -14.443 963 2HB HIS 125 1HB HIS 125 6.374 11.591 -15.179 964 HD1 HIS 125 1HD HIS 125 9.972 10.516 -14.611 965 HD2 HIS 125 2HD HIS 125 6.271 8.827 -15.523 966 HE1 HIS 125 1HE HIS 125 10.281 8.005 -14.491 967 HE2 HIS 125 2HE HIS 125 8.033 6.961 -15.042 968 H GLN 126 H GLN 126 5.999 11.703 -18.216 969 HA GLN 126 HA GLN 126 6.719 9.069 -19.033 970 1HB GLN 126 2HB GLN 126 4.843 11.070 -20.315 971 2HB GLN 126 1HB GLN 126 4.938 9.356 -20.719 972 1HG GLN 126 2HG GLN 126 4.327 8.760 -18.416 973 2HG GLN 126 1HG GLN 126 4.273 10.467 -17.978 974 1HE2 GLN 126 1HE2 GLN 126 1.963 8.782 -17.723 975 2HE2 GLN 126 2HE2 GLN 126 0.802 9.305 -18.847 976 H ALA 127 H ALA 127 7.699 12.214 -20.020 977 HA ALA 127 HA ALA 127 8.637 11.303 -22.638 978 1HB ALA 127 1HB ALA 127 8.882 14.025 -21.336 979 2HB ALA 127 2HB ALA 127 7.569 13.536 -22.407 980 3HB ALA 127 3HB ALA 127 9.218 13.636 -23.023 981 H GLU 128 H GLU 128 10.056 12.973 -19.816 982 HA GLU 128 HA GLU 128 12.706 12.905 -20.490 983 1HB GLU 128 2HB GLU 128 13.218 13.112 -18.183 984 2HB GLU 128 1HB GLU 128 11.624 13.845 -18.371 985 1HG GLU 128 2HG GLU 128 10.638 11.586 -17.752 986 2HG GLU 128 1HG GLU 128 12.269 11.087 -17.309 987 H LYS 129 H LYS 129 10.795 10.274 -19.082 988 HA LYS 129 HA LYS 129 13.023 8.470 -18.886 989 1HB LYS 129 2HB LYS 129 11.431 6.846 -18.174 990 2HB LYS 129 1HB LYS 129 10.897 8.384 -17.494 991 1HG LYS 129 2HG LYS 129 9.416 8.640 -19.549 992 2HG LYS 129 1HG LYS 129 9.797 6.960 -19.926 993 1HD LYS 129 2HD LYS 129 8.468 7.987 -17.401 994 2HD LYS 129 1HD LYS 129 7.711 7.026 -18.673 995 1HE LYS 129 2HE LYS 129 9.585 5.296 -18.175 996 2HE LYS 129 1HE LYS 129 9.794 6.182 -16.665 997 1HZ LYS 129 1HZ LYS 129 7.618 5.711 -16.007 998 2HZ LYS 129 2HZ LYS 129 8.187 4.244 -16.650 999 3HZ LYS 129 3HZ LYS 129 7.143 5.229 -17.561 1000 H ASP 130 H ASP 130 10.345 8.943 -21.161 1001 HA ASP 130 HA ASP 130 10.979 6.711 -22.815 1002 1HB ASP 130 2HB ASP 130 8.758 7.826 -22.780 1003 2HB ASP 130 1HB ASP 130 9.484 9.239 -23.545 1004 H LYS 131 H LYS 131 11.697 10.188 -23.043 1005 HA LYS 131 HA LYS 131 13.084 11.343 -24.498 1006 1HB LYS 131 2HB LYS 131 14.595 10.333 -22.753 1007 2HB LYS 131 1HB LYS 131 14.926 9.023 -23.889 1008 1HG LYS 131 2HG LYS 131 15.718 10.685 -25.551 1009 2HG LYS 131 1HG LYS 131 15.435 11.973 -24.380 1010 1HD LYS 131 2HD LYS 131 17.017 10.828 -22.813 1011 2HD LYS 131 1HD LYS 131 17.371 9.658 -24.085 1012 1HE LYS 131 2HE LYS 131 19.046 11.498 -24.007 1013 2HE LYS 131 1HE LYS 131 18.185 11.445 -25.545 1014 1HZ LYS 131 1HZ LYS 131 17.049 13.093 -23.419 1015 2HZ LYS 131 2HZ LYS 131 17.067 13.347 -25.099 1016 3HZ LYS 131 3HZ LYS 131 18.456 13.665 -24.173 Start of MODEL 10 1 H MET 1 1H MET 1 -14.179 -29.481 7.448 2 HA MET 1 HA MET 1 -16.627 -28.760 8.961 3 1HB MET 1 2HB MET 1 -13.698 -28.450 9.673 4 2HB MET 1 1HB MET 1 -15.083 -28.134 10.718 5 1HG MET 1 2HG MET 1 -14.317 -30.833 9.565 6 2HG MET 1 1HG MET 1 -14.092 -30.327 11.239 7 1HE MET 1 1HE MET 1 -17.090 -28.688 11.795 8 2HE MET 1 2HE MET 1 -15.719 -29.416 12.629 9 3HE MET 1 3HE MET 1 -17.335 -30.084 12.854 10 H GLY 2 H GLY 2 -15.173 -26.436 9.955 11 1HA GLY 2 2HA GLY 2 -14.561 -24.801 7.632 12 2HA GLY 2 1HA GLY 2 -16.054 -24.379 8.466 13 H CYS 3 H CYS 3 -13.201 -25.648 10.075 14 HA CYS 3 HA CYS 3 -13.093 -23.256 11.744 15 1HB CYS 3 2HB CYS 3 -12.972 -25.393 12.880 16 2HB CYS 3 1HB CYS 3 -11.609 -25.890 11.877 17 HG CYS 3 HG CYS 3 -10.163 -24.796 13.555 18 H GLY 4 H GLY 4 -11.735 -21.629 11.384 19 1HA GLY 4 2HA GLY 4 -9.719 -21.841 9.305 20 2HA GLY 4 1HA GLY 4 -10.165 -20.385 10.187 21 H ALA 5 H ALA 5 -7.648 -20.376 10.001 22 HA ALA 5 HA ALA 5 -6.642 -21.183 12.622 23 1HB ALA 5 1HB ALA 5 -5.368 -22.059 10.023 24 2HB ALA 5 2HB ALA 5 -6.032 -23.101 11.281 25 3HB ALA 5 3HB ALA 5 -4.578 -22.154 11.597 26 H SER 6 H SER 6 -4.808 -19.999 13.293 27 HA SER 6 HA SER 6 -4.601 -17.386 12.047 28 1HB SER 6 2HB SER 6 -3.304 -18.570 14.511 29 2HB SER 6 1HB SER 6 -3.086 -16.904 13.977 30 HG SER 6 HG SER 6 -5.466 -16.818 14.026 31 H SER 7 H SER 7 -3.286 -20.227 11.256 32 HA SER 7 HA SER 7 -0.507 -19.777 11.123 33 1HB SER 7 2HB SER 7 -0.463 -21.583 9.516 34 2HB SER 7 1HB SER 7 -1.637 -21.979 10.767 35 HG SER 7 HG SER 7 -2.018 -21.228 8.097 36 H GLU 8 H GLU 8 -3.158 -18.665 9.149 37 HA GLU 8 HA GLU 8 -1.792 -17.982 6.798 38 1HB GLU 8 2HB GLU 8 -4.145 -16.597 8.108 39 2HB GLU 8 1HB GLU 8 -3.624 -16.359 6.440 40 1HG GLU 8 2HG GLU 8 -4.431 -19.035 7.613 41 2HG GLU 8 1HG GLU 8 -5.496 -18.007 6.654 42 H ASN 9 H ASN 9 -0.626 -16.216 6.159 43 HA ASN 9 HA ASN 9 0.122 -14.307 8.291 44 1HB ASN 9 2HB ASN 9 1.718 -15.284 5.912 45 2HB ASN 9 1HB ASN 9 2.248 -14.028 7.029 46 1HD2 ASN 9 1HD2 ASN 9 3.661 -16.539 6.690 47 2HD2 ASN 9 2HD2 ASN 9 3.558 -17.385 8.158 48 H SER 10 H SER 10 -0.171 -12.181 7.939 49 HA SER 10 HA SER 10 -1.828 -11.244 5.882 50 1HB SER 10 2HB SER 10 -1.438 -10.093 8.066 51 2HB SER 10 1HB SER 10 0.157 -9.618 7.488 52 HG SER 10 HG SER 10 -0.734 -8.197 6.192 53 H SER 11 H SER 11 1.705 -11.157 6.218 54 HA SER 11 HA SER 11 3.349 -10.487 4.732 55 1HB SER 11 2HB SER 11 1.576 -11.988 2.795 56 2HB SER 11 1HB SER 11 3.317 -11.748 2.674 57 HG SER 11 HG SER 11 2.331 -12.877 5.022 58 H VAL 12 H VAL 12 2.769 -10.260 1.798 59 HA VAL 12 HA VAL 12 1.190 -7.784 1.709 60 HB VAL 12 HB VAL 12 3.928 -7.914 0.451 61 1HG1 VAL 12 1HG1 VAL 12 3.648 -5.558 0.197 62 2HG1 VAL 12 2HG1 VAL 12 2.272 -5.530 1.300 63 3HG1 VAL 12 3HG1 VAL 12 2.110 -6.268 -0.292 64 1HG2 VAL 12 1HG2 VAL 12 4.400 -8.118 2.780 65 2HG2 VAL 12 2HG2 VAL 12 3.101 -7.008 3.216 66 3HG2 VAL 12 3HG2 VAL 12 4.556 -6.398 2.427 67 H THR 13 H THR 13 0.034 -7.576 -0.130 68 HA THR 13 HA THR 13 0.634 -9.449 -2.341 69 HB THR 13 HB THR 13 -2.149 -8.506 -1.701 70 HG1 THR 13 1HG THR 13 -1.731 -9.529 0.133 71 1HG2 THR 13 1HG2 THR 13 -1.614 -9.587 -3.891 72 2HG2 THR 13 2HG2 THR 13 -2.764 -10.514 -2.928 73 3HG2 THR 13 3HG2 THR 13 -1.076 -11.017 -3.012 74 H TYR 14 H TYR 14 0.859 -8.563 -4.299 75 HA TYR 14 HA TYR 14 0.264 -5.691 -4.589 76 1HB TYR 14 2HB TYR 14 2.040 -7.503 -6.244 77 2HB TYR 14 1HB TYR 14 1.820 -5.772 -6.499 78 HD1 TYR 14 1HD TYR 14 2.088 -4.343 -4.207 79 HD2 TYR 14 2HD TYR 14 3.921 -8.139 -5.034 80 HE1 TYR 14 1HE TYR 14 3.836 -3.869 -2.512 81 HE2 TYR 14 2HE TYR 14 5.668 -7.665 -3.339 82 HH TYR 14 HH TYR 14 5.435 -5.543 -1.004 83 H VAL 15 H VAL 15 -0.267 -5.102 -6.969 84 HA VAL 15 HA VAL 15 -1.980 -7.087 -8.270 85 HB VAL 15 HB VAL 15 -3.761 -6.205 -7.148 86 1HG1 VAL 15 1HG1 VAL 15 -2.152 -3.645 -6.924 87 2HG1 VAL 15 2HG1 VAL 15 -2.455 -4.820 -5.643 88 3HG1 VAL 15 3HG1 VAL 15 -3.781 -3.847 -6.280 89 1HG2 VAL 15 1HG2 VAL 15 -3.842 -5.479 -9.612 90 2HG2 VAL 15 2HG2 VAL 15 -3.389 -3.873 -9.038 91 3HG2 VAL 15 3HG2 VAL 15 -4.900 -4.607 -8.502 92 H ASN 16 H ASN 16 -1.137 -3.615 -8.344 93 HA ASN 16 HA ASN 16 -1.391 -3.362 -11.153 94 1HB ASN 16 2HB ASN 16 0.107 -1.703 -9.118 95 2HB ASN 16 1HB ASN 16 -0.079 -1.245 -10.810 96 1HD2 ASN 16 1HD2 ASN 16 -1.502 -0.900 -7.764 97 2HD2 ASN 16 2HD2 ASN 16 -3.060 -0.450 -8.266 98 H GLY 17 H GLY 17 1.200 -4.437 -9.088 99 1HA GLY 17 2HA GLY 17 2.655 -5.778 -10.997 100 2HA GLY 17 1HA GLY 17 3.307 -4.142 -11.010 101 H ARG 18 H ARG 18 5.006 -6.117 -10.333 102 HA ARG 18 HA ARG 18 5.092 -6.281 -7.403 103 1HB ARG 18 2HB ARG 18 7.035 -7.534 -9.342 104 2HB ARG 18 1HB ARG 18 6.703 -8.002 -7.674 105 1HG ARG 18 2HG ARG 18 4.535 -8.061 -9.770 106 2HG ARG 18 1HG ARG 18 5.630 -9.427 -9.551 107 1HD ARG 18 2HD ARG 18 3.866 -8.202 -7.412 108 2HD ARG 18 1HD ARG 18 3.597 -9.746 -8.214 109 HE ARG 18 HE ARG 18 5.457 -9.226 -6.074 110 1HH1 ARG 18 1HH2 ARG 18 4.746 -11.154 -8.859 111 2HH1 ARG 18 2HH2 ARG 18 5.673 -12.517 -8.323 112 1HH2 ARG 18 1HH1 ARG 18 6.675 -11.008 -5.366 113 2HH2 ARG 18 2HH1 ARG 18 6.764 -12.434 -6.346 114 HA PRO 19 HA PRO 19 8.180 -3.138 -7.138 115 1HB PRO 19 2HB PRO 19 9.335 -3.799 -4.771 116 2HB PRO 19 1HB PRO 19 7.698 -3.123 -4.880 117 1HG PRO 19 2HG PRO 19 8.562 -5.941 -4.470 118 2HG PRO 19 1HG PRO 19 7.212 -5.055 -3.742 119 1HD PRO 19 2HD PRO 19 6.930 -6.834 -5.834 120 2HD PRO 19 1HD PRO 19 5.799 -5.503 -5.505 121 H THR 20 H THR 20 10.230 -2.831 -7.872 122 HA THR 20 HA THR 20 11.779 -5.142 -8.665 123 HB THR 20 HB THR 20 11.589 -3.163 -10.131 124 HG1 THR 20 1HG THR 20 14.179 -3.666 -9.091 125 1HG2 THR 20 1HG2 THR 20 12.392 -1.044 -9.533 126 2HG2 THR 20 2HG2 THR 20 13.386 -1.685 -8.226 127 3HG2 THR 20 3HG2 THR 20 11.633 -1.601 -8.041 128 H PHE 21 H PHE 21 11.451 -3.603 -5.797 129 HA PHE 21 HA PHE 21 14.219 -4.259 -4.998 130 1HB PHE 21 2HB PHE 21 13.851 -1.786 -5.129 131 2HB PHE 21 1HB PHE 21 12.587 -1.955 -3.909 132 HD1 PHE 21 1HD PHE 21 13.116 -2.281 -1.597 133 HD2 PHE 21 2HD PHE 21 16.215 -2.404 -4.569 134 HE1 PHE 21 1HE PHE 21 14.833 -2.237 0.192 135 HE2 PHE 21 2HE PHE 21 17.932 -2.361 -2.780 136 HZ PHE 21 HZ PHE 21 17.241 -2.277 -0.399 137 H VAL 22 H VAL 22 14.408 -5.499 -3.212 138 HA VAL 22 HA VAL 22 12.050 -5.848 -1.478 139 HB VAL 22 HB VAL 22 13.702 -8.227 -2.268 140 1HG1 VAL 22 1HG1 VAL 22 12.048 -8.220 -0.342 141 2HG1 VAL 22 2HG1 VAL 22 11.738 -9.435 -1.581 142 3HG1 VAL 22 3HG1 VAL 22 10.775 -7.959 -1.535 143 1HG2 VAL 22 1HG2 VAL 22 11.425 -6.953 -3.803 144 2HG2 VAL 22 2HG2 VAL 22 11.832 -8.661 -3.967 145 3HG2 VAL 22 3HG2 VAL 22 13.012 -7.428 -4.411 146 H GLY 23 H GLY 23 12.576 -5.632 0.597 147 1HA GLY 23 2HA GLY 23 15.418 -5.889 1.361 148 2HA GLY 23 1HA GLY 23 14.234 -4.888 2.196 149 H GLU 24 H GLU 24 13.259 -5.711 3.950 150 HA GLU 24 HA GLU 24 12.989 -8.611 4.250 151 1HB GLU 24 2HB GLU 24 15.206 -7.913 5.247 152 2HB GLU 24 1HB GLU 24 14.294 -6.948 6.409 153 1HG GLU 24 2HG GLU 24 14.723 -9.075 7.449 154 2HG GLU 24 1HG GLU 24 13.016 -9.048 7.009 155 H GLU 25 H GLU 25 12.654 -5.579 6.116 156 HA GLU 25 HA GLU 25 10.111 -6.523 7.200 157 1HB GLU 25 2HB GLU 25 11.823 -5.359 8.627 158 2HB GLU 25 1HB GLU 25 11.514 -3.890 7.699 159 1HG GLU 25 2HG GLU 25 9.106 -4.043 8.317 160 2HG GLU 25 1HG GLU 25 9.477 -5.449 9.315 161 H VAL 26 H VAL 26 8.449 -6.342 5.812 162 HA VAL 26 HA VAL 26 8.208 -3.872 4.216 163 HB VAL 26 HB VAL 26 6.594 -6.390 3.842 164 1HG1 VAL 26 1HG1 VAL 26 7.356 -4.049 2.071 165 2HG1 VAL 26 2HG1 VAL 26 5.751 -4.412 2.706 166 3HG1 VAL 26 3HG1 VAL 26 6.487 -5.477 1.508 167 1HG2 VAL 26 1HG2 VAL 26 8.291 -6.924 2.042 168 2HG2 VAL 26 2HG2 VAL 26 8.904 -7.092 3.687 169 3HG2 VAL 26 3HG2 VAL 26 9.323 -5.670 2.731 170 H THR 27 H THR 27 6.396 -2.599 4.339 171 HA THR 27 HA THR 27 4.200 -3.407 6.102 172 HB THR 27 HB THR 27 4.580 -0.807 6.902 173 HG1 THR 27 1HG THR 27 6.861 -1.626 5.867 174 1HG2 THR 27 1HG2 THR 27 5.478 -1.874 9.003 175 2HG2 THR 27 2HG2 THR 27 5.537 -3.404 8.128 176 3HG2 THR 27 3HG2 THR 27 3.990 -2.601 8.399 177 H LYS 28 H LYS 28 2.463 -1.629 6.082 178 HA LYS 28 HA LYS 28 2.398 -0.253 3.474 179 1HB LYS 28 2HB LYS 28 -0.117 -0.906 3.493 180 2HB LYS 28 1HB LYS 28 1.064 -2.113 2.984 181 1HG LYS 28 2HG LYS 28 1.083 -3.054 5.270 182 2HG LYS 28 1HG LYS 28 -0.116 -1.860 5.766 183 1HD LYS 28 2HD LYS 28 -1.668 -2.750 4.026 184 2HD LYS 28 1HD LYS 28 -0.484 -4.004 3.654 185 1HE LYS 28 2HE LYS 28 -2.160 -4.884 5.209 186 2HE LYS 28 1HE LYS 28 -0.595 -4.777 6.015 187 1HZ LYS 28 1HZ LYS 28 -2.397 -2.473 6.165 188 2HZ LYS 28 2HZ LYS 28 -1.264 -3.038 7.298 189 3HZ LYS 28 3HZ LYS 28 -2.757 -3.829 7.119 190 H GLY 29 H GLY 29 2.480 1.822 4.137 191 1HA GLY 29 2HA GLY 29 1.731 3.024 6.448 192 2HA GLY 29 1HA GLY 29 1.557 3.816 4.885 193 H PHE 30 H PHE 30 -0.468 3.146 3.641 194 HA PHE 30 HA PHE 30 -2.747 3.518 5.393 195 1HB PHE 30 2HB PHE 30 -2.461 3.345 2.389 196 2HB PHE 30 1HB PHE 30 -4.009 3.562 3.205 197 HD1 PHE 30 1HD PHE 30 -1.286 5.253 1.749 198 HD2 PHE 30 2HD PHE 30 -4.005 5.479 5.068 199 HE1 PHE 30 1HE PHE 30 -0.842 7.684 1.947 200 HE2 PHE 30 2HE PHE 30 -3.560 7.911 5.266 201 HZ PHE 30 HZ PHE 30 -1.979 9.014 3.706 202 H GLU 31 H GLU 31 -3.767 1.869 6.312 203 HA GLU 31 HA GLU 31 -3.362 -0.847 5.545 204 1HB GLU 31 2HB GLU 31 -5.405 0.425 7.383 205 2HB GLU 31 1HB GLU 31 -5.152 -1.313 7.219 206 1HG GLU 31 2HG GLU 31 -2.777 -1.009 7.883 207 2HG GLU 31 1HG GLU 31 -3.080 0.713 8.110 208 H LYS 32 H LYS 32 -5.772 1.577 4.792 209 HA LYS 32 HA LYS 32 -7.837 -0.064 3.839 210 1HB LYS 32 2HB LYS 32 -7.831 2.481 4.203 211 2HB LYS 32 1HB LYS 32 -7.112 2.584 2.595 212 1HG LYS 32 2HG LYS 32 -9.023 1.291 1.677 213 2HG LYS 32 1HG LYS 32 -9.753 1.261 3.283 214 1HD LYS 32 2HD LYS 32 -9.665 3.793 3.261 215 2HD LYS 32 1HD LYS 32 -9.199 3.691 1.563 216 1HE LYS 32 2HE LYS 32 -11.289 2.265 1.214 217 2HE LYS 32 1HE LYS 32 -11.781 2.760 2.834 218 1HZ LYS 32 1HZ LYS 32 -10.925 4.864 1.009 219 2HZ LYS 32 2HZ LYS 32 -12.153 4.876 2.182 220 3HZ LYS 32 3HZ LYS 32 -12.419 4.131 0.678 221 H ASP 33 H ASP 33 -8.456 -0.489 1.610 222 HA ASP 33 HA ASP 33 -8.043 -1.462 -0.431 223 1HB ASP 33 2HB ASP 33 -5.885 0.660 -0.446 224 2HB ASP 33 1HB ASP 33 -6.358 -0.293 -1.852 225 H ASN 34 H ASN 34 -5.916 -2.190 -1.853 226 HA ASN 34 HA ASN 34 -4.904 -4.442 -0.578 227 1HB ASN 34 2HB ASN 34 -3.653 -2.883 -2.851 228 2HB ASN 34 1HB ASN 34 -3.266 -4.545 -2.411 229 1HD2 ASN 34 1HD2 ASN 34 -5.843 -5.585 -1.904 230 2HD2 ASN 34 2HD2 ASN 34 -6.752 -5.541 -3.337 231 H GLY 35 H GLY 35 -3.668 -1.157 -0.666 232 1HA GLY 35 2HA GLY 35 -2.313 -1.047 1.653 233 2HA GLY 35 1HA GLY 35 -1.160 -1.877 0.613 234 H LEU 36 H LEU 36 -2.239 -0.368 -1.756 235 HA LEU 36 HA LEU 36 -1.718 1.526 -2.943 236 1HB LEU 36 2HB LEU 36 -1.677 2.969 -0.290 237 2HB LEU 36 1HB LEU 36 -2.053 3.631 -1.882 238 HG LEU 36 HG LEU 36 -3.696 1.587 -0.359 239 1HD1 LEU 36 1HD1 LEU 36 -4.102 4.506 -1.054 240 2HD1 LEU 36 2HD1 LEU 36 -4.038 3.784 0.554 241 3HD1 LEU 36 3HD1 LEU 36 -5.409 3.457 -0.507 242 1HD2 LEU 36 1HD2 LEU 36 -3.957 1.023 -2.641 243 2HD2 LEU 36 2HD2 LEU 36 -3.873 2.707 -3.157 244 3HD2 LEU 36 3HD2 LEU 36 -5.309 2.110 -2.323 245 H LEU 37 H LEU 37 -0.042 2.339 0.085 246 HA LEU 37 HA LEU 37 2.488 2.399 -1.442 247 1HB LEU 37 2HB LEU 37 1.755 4.571 -0.495 248 2HB LEU 37 1HB LEU 37 1.786 3.856 1.117 249 HG LEU 37 HG LEU 37 4.200 3.311 0.786 250 1HD1 LEU 37 1HD1 LEU 37 5.167 4.841 -1.177 251 2HD1 LEU 37 2HD1 LEU 37 3.577 4.527 -1.872 252 3HD1 LEU 37 3HD1 LEU 37 4.647 3.182 -1.476 253 1HD2 LEU 37 1HD2 LEU 37 3.691 6.249 0.272 254 2HD2 LEU 37 2HD2 LEU 37 4.984 5.524 1.226 255 3HD2 LEU 37 3HD2 LEU 37 3.323 5.488 1.819 256 H PHE 38 H PHE 38 3.977 0.926 -0.961 257 HA PHE 38 HA PHE 38 3.747 -0.517 1.609 258 1HB PHE 38 2HB PHE 38 5.017 -1.396 -0.996 259 2HB PHE 38 1HB PHE 38 4.957 -2.350 0.486 260 HD1 PHE 38 1HD PHE 38 3.093 -1.165 -2.416 261 HD2 PHE 38 2HD PHE 38 2.763 -3.116 1.397 262 HE1 PHE 38 1HE PHE 38 0.830 -1.974 -3.025 263 HE2 PHE 38 2HE PHE 38 0.500 -3.925 0.787 264 HZ PHE 38 HZ PHE 38 -0.468 -3.355 -1.424 265 H ARG 39 H ARG 39 5.314 -0.246 3.060 266 HA ARG 39 HA ARG 39 7.688 1.287 2.317 267 1HB ARG 39 2HB ARG 39 6.384 1.867 4.359 268 2HB ARG 39 1HB ARG 39 6.815 0.298 5.041 269 1HG ARG 39 2HG ARG 39 9.194 0.860 4.906 270 2HG ARG 39 1HG ARG 39 8.806 2.403 4.148 271 1HD ARG 39 2HD ARG 39 9.187 2.824 6.492 272 2HD ARG 39 1HD ARG 39 7.458 2.983 6.194 273 HE ARG 39 HE ARG 39 8.133 0.318 6.985 274 1HH1 ARG 39 1HH2 ARG 39 7.666 3.557 8.114 275 2HH1 ARG 39 2HH2 ARG 39 7.199 3.079 9.712 276 1HH2 ARG 39 1HH1 ARG 39 7.523 -0.315 9.080 277 2HH2 ARG 39 2HH1 ARG 39 7.118 0.887 10.259 278 H ILE 40 H ILE 40 9.434 0.240 1.634 279 HA ILE 40 HA ILE 40 9.932 -2.498 2.621 280 HB ILE 40 HB ILE 40 11.115 -1.122 0.198 281 1HG1 ILE 40 2HG1 ILE 40 8.915 -3.205 0.321 282 2HG1 ILE 40 1HG1 ILE 40 8.620 -1.481 0.093 283 1HG2 ILE 40 1HG2 ILE 40 11.587 -3.565 -0.391 284 2HG2 ILE 40 2HG2 ILE 40 11.181 -3.946 1.283 285 3HG2 ILE 40 3HG2 ILE 40 12.549 -2.891 0.925 286 1HD1 ILE 40 1HD1 ILE 40 10.144 -3.348 -1.736 287 2HD1 ILE 40 2HD1 ILE 40 10.198 -1.593 -1.898 288 3HD1 ILE 40 3HD1 ILE 40 8.670 -2.451 -2.099 289 H VAL 41 H VAL 41 11.708 -2.938 3.798 290 HA VAL 41 HA VAL 41 13.827 -0.892 3.968 291 HB VAL 41 HB VAL 41 12.625 -2.335 6.342 292 1HG1 VAL 41 1HG1 VAL 41 14.022 -0.545 7.541 293 2HG1 VAL 41 2HG1 VAL 41 14.831 -0.297 5.993 294 3HG1 VAL 41 3HG1 VAL 41 14.917 -1.868 6.792 295 1HG2 VAL 41 1HG2 VAL 41 11.680 -0.169 6.948 296 2HG2 VAL 41 2HG2 VAL 41 11.129 -0.599 5.328 297 3HG2 VAL 41 3HG2 VAL 41 12.420 0.585 5.536 298 H ASN 42 H ASN 42 15.800 -1.722 3.718 299 HA ASN 42 HA ASN 42 16.125 -4.648 3.975 300 1HB ASN 42 2HB ASN 42 16.549 -3.458 1.735 301 2HB ASN 42 1HB ASN 42 17.994 -2.801 2.501 302 1HD2 ASN 42 1HD2 ASN 42 16.597 -6.064 3.009 303 2HD2 ASN 42 2HD2 ASN 42 17.946 -6.901 2.409 304 H LYS 43 H LYS 43 16.761 -4.953 6.057 305 HA LYS 43 HA LYS 43 18.285 -3.246 7.641 306 1HB LYS 43 2HB LYS 43 18.110 -6.268 7.701 307 2HB LYS 43 1HB LYS 43 18.811 -5.279 8.983 308 1HG LYS 43 2HG LYS 43 16.595 -4.029 9.066 309 2HG LYS 43 1HG LYS 43 15.942 -5.293 8.021 310 1HD LYS 43 2HD LYS 43 17.248 -5.765 10.719 311 2HD LYS 43 1HD LYS 43 15.510 -5.772 10.417 312 1HE LYS 43 2HE LYS 43 16.060 -7.554 8.603 313 2HE LYS 43 1HE LYS 43 17.595 -7.724 9.457 314 1HZ LYS 43 1HZ LYS 43 16.613 -8.822 11.103 315 2HZ LYS 43 2HZ LYS 43 15.244 -8.950 10.104 316 3HZ LYS 43 3HZ LYS 43 15.360 -7.688 11.236 317 H LYS 44 H LYS 44 19.289 -5.569 5.216 318 HA LYS 44 HA LYS 44 21.984 -5.869 5.871 319 1HB LYS 44 2HB LYS 44 20.755 -7.125 4.084 320 2HB LYS 44 1HB LYS 44 20.853 -5.683 3.072 321 1HG LYS 44 2HG LYS 44 23.282 -5.744 3.130 322 2HG LYS 44 1HG LYS 44 23.255 -7.085 4.275 323 1HD LYS 44 2HD LYS 44 23.589 -8.187 2.236 324 2HD LYS 44 1HD LYS 44 21.839 -8.292 2.434 325 1HE LYS 44 2HE LYS 44 22.433 -7.560 0.150 326 2HE LYS 44 1HE LYS 44 21.551 -6.301 1.012 327 1HZ LYS 44 1HZ LYS 44 24.406 -6.197 1.376 328 2HZ LYS 44 2HZ LYS 44 23.312 -4.953 1.001 329 3HZ LYS 44 3HZ LYS 44 23.918 -5.956 -0.230 330 H LYS 45 H LYS 45 20.475 -3.458 3.720 331 HA LYS 45 HA LYS 45 22.964 -1.877 3.864 332 1HB LYS 45 2HB LYS 45 20.679 -1.782 1.879 333 2HB LYS 45 1HB LYS 45 22.078 -0.706 1.859 334 1HG LYS 45 2HG LYS 45 23.562 -2.708 1.684 335 2HG LYS 45 1HG LYS 45 22.125 -3.724 1.573 336 1HD LYS 45 2HD LYS 45 21.410 -2.427 -0.435 337 2HD LYS 45 1HD LYS 45 22.920 -1.520 -0.351 338 1HE LYS 45 2HE LYS 45 24.107 -3.794 -0.425 339 2HE LYS 45 1HE LYS 45 22.548 -4.468 -0.900 340 1HZ LYS 45 1HZ LYS 45 22.527 -3.257 -2.859 341 2HZ LYS 45 2HZ LYS 45 24.157 -3.720 -2.725 342 3HZ LYS 45 3HZ LYS 45 23.683 -2.141 -2.314 343 H LYS 46 H LYS 46 19.993 -2.093 5.286 344 HA LYS 46 HA LYS 46 18.662 -0.653 6.485 345 1HB LYS 46 2HB LYS 46 21.426 0.357 6.738 346 2HB LYS 46 1HB LYS 46 20.161 1.518 7.142 347 1HG LYS 46 2HG LYS 46 20.052 -1.290 8.223 348 2HG LYS 46 1HG LYS 46 21.033 -0.061 9.021 349 1HD LYS 46 2HD LYS 46 19.211 1.120 9.747 350 2HD LYS 46 1HD LYS 46 18.264 0.739 8.308 351 1HE LYS 46 2HE LYS 46 17.598 -0.346 10.601 352 2HE LYS 46 1HE LYS 46 17.583 -1.336 9.141 353 1HZ LYS 46 1HZ LYS 46 18.834 -2.095 11.309 354 2HZ LYS 46 2HZ LYS 46 20.084 -1.157 10.644 355 3HZ LYS 46 3HZ LYS 46 19.437 -2.459 9.767 356 H GLN 47 H GLN 47 18.902 -0.319 3.518 357 HA GLN 47 HA GLN 47 18.346 2.554 3.231 358 1HB GLN 47 2HB GLN 47 18.556 2.198 0.848 359 2HB GLN 47 1HB GLN 47 19.937 1.447 1.649 360 1HG GLN 47 2HG GLN 47 18.552 -0.716 1.648 361 2HG GLN 47 1HG GLN 47 17.487 0.101 0.504 362 1HE2 GLN 47 1HE2 GLN 47 20.462 1.422 -0.094 363 2HE2 GLN 47 2HE2 GLN 47 21.006 0.363 -1.305 364 H TRP 48 H TRP 48 16.335 3.307 2.981 365 HA TRP 48 HA TRP 48 14.118 1.420 3.014 366 1HB TRP 48 2HB TRP 48 14.322 4.415 3.297 367 2HB TRP 48 1HB TRP 48 12.769 3.592 3.157 368 HD1 TRP 48 HD TRP 48 15.467 1.692 4.944 369 HE1 TRP 48 1HE TRP 48 14.958 1.626 7.471 370 HE3 TRP 48 3HE TRP 48 11.639 5.063 5.159 371 HZ2 TRP 48 2HZ TRP 48 13.162 2.843 9.336 372 HZ3 TRP 48 3HZ TRP 48 10.547 5.591 7.320 373 HH2 TRP 48 HH TRP 48 11.303 4.486 9.407 374 H ALA 49 H ALA 49 12.425 1.408 1.487 375 HA ALA 49 HA ALA 49 12.786 2.898 -1.002 376 1HB ALA 49 1HB ALA 49 14.031 1.006 -1.639 377 2HB ALA 49 2HB ALA 49 12.414 0.668 -2.258 378 3HB ALA 49 3HB ALA 49 12.966 -0.099 -0.769 379 H TYR 50 H TYR 50 10.885 3.107 -2.205 380 HA TYR 50 HA TYR 50 8.455 1.984 -0.947 381 1HB TYR 50 2HB TYR 50 8.940 4.774 -1.995 382 2HB TYR 50 1HB TYR 50 7.328 4.131 -1.687 383 HD1 TYR 50 1HD TYR 50 6.892 3.118 0.667 384 HD2 TYR 50 2HD TYR 50 10.183 5.724 -0.243 385 HE1 TYR 50 1HE TYR 50 7.141 3.645 3.077 386 HE2 TYR 50 2HE TYR 50 10.432 6.251 2.168 387 HH TYR 50 HH TYR 50 8.067 5.266 4.516 388 H TYR 51 H TYR 51 6.897 1.203 -2.296 389 HA TYR 51 HA TYR 51 7.411 1.405 -5.203 390 1HB TYR 51 2HB TYR 51 7.961 -0.833 -4.616 391 2HB TYR 51 1HB TYR 51 6.561 -0.978 -3.556 392 HD1 TYR 51 1HD TYR 51 4.395 -1.532 -4.413 393 HD2 TYR 51 2HD TYR 51 7.638 -0.683 -7.098 394 HE1 TYR 51 1HE TYR 51 3.037 -2.363 -6.315 395 HE2 TYR 51 2HE TYR 51 6.281 -1.514 -9.000 396 HH TYR 51 HH TYR 51 3.231 -1.746 -9.117 397 H ASN 52 H ASN 52 5.846 2.543 -6.140 398 HA ASN 52 HA ASN 52 3.237 2.799 -4.871 399 1HB ASN 52 2HB ASN 52 4.354 4.783 -5.828 400 2HB ASN 52 1HB ASN 52 4.301 4.032 -7.422 401 1HD2 ASN 52 1HD2 ASN 52 2.989 6.367 -7.427 402 2HD2 ASN 52 2HD2 ASN 52 1.307 6.167 -7.313 403 H ASP 53 H ASP 53 1.430 1.776 -5.482 404 HA ASP 53 HA ASP 53 1.584 0.028 -7.858 405 1HB ASP 53 2HB ASP 53 -0.083 -1.360 -6.802 406 2HB ASP 53 1HB ASP 53 1.201 -1.058 -5.631 407 H THR 54 H THR 54 -0.354 2.458 -6.202 408 HA THR 54 HA THR 54 -2.656 2.384 -7.797 409 HB THR 54 HB THR 54 -2.823 4.857 -7.143 410 HG1 THR 54 1HG THR 54 -0.366 4.736 -6.838 411 1HG2 THR 54 1HG2 THR 54 -3.297 4.292 -4.805 412 2HG2 THR 54 2HG2 THR 54 -2.354 2.809 -4.959 413 3HG2 THR 54 3HG2 THR 54 -3.854 2.999 -5.867 414 H THR 55 H THR 55 -2.846 2.655 -9.919 415 HA THR 55 HA THR 55 -0.765 4.067 -11.406 416 HB THR 55 HB THR 55 -1.970 3.204 -13.399 417 HG1 THR 55 1HG THR 55 -4.013 3.178 -12.054 418 1HG2 THR 55 1HG2 THR 55 -1.357 0.899 -13.077 419 2HG2 THR 55 2HG2 THR 55 -1.538 1.040 -11.328 420 3HG2 THR 55 3HG2 THR 55 -0.219 1.876 -12.148 421 H GLN 56 H GLN 56 -3.461 4.980 -9.798 422 HA GLN 56 HA GLN 56 -4.286 6.975 -11.807 423 1HB GLN 56 2HB GLN 56 -6.091 5.601 -10.850 424 2HB GLN 56 1HB GLN 56 -5.639 6.136 -9.231 425 1HG GLN 56 2HG GLN 56 -6.130 8.458 -9.828 426 2HG GLN 56 1HG GLN 56 -6.506 7.974 -11.481 427 1HE2 GLN 56 1HE2 GLN 56 -7.648 5.429 -9.771 428 2HE2 GLN 56 2HE2 GLN 56 -9.233 5.954 -9.466 429 H TYR 57 H TYR 57 -3.324 6.642 -8.401 430 HA TYR 57 HA TYR 57 -2.756 9.545 -8.359 431 1HB TYR 57 2HB TYR 57 -2.947 7.972 -5.835 432 2HB TYR 57 1HB TYR 57 -3.412 9.642 -6.159 433 HD1 TYR 57 1HD TYR 57 -5.515 10.136 -7.418 434 HD2 TYR 57 2HD TYR 57 -4.490 6.162 -6.152 435 HE1 TYR 57 1HE TYR 57 -7.861 9.417 -7.779 436 HE2 TYR 57 2HE TYR 57 -6.837 5.442 -6.512 437 HH TYR 57 HH TYR 57 -9.288 7.722 -7.749 438 H GLU 58 H GLU 58 -0.821 10.258 -7.380 439 HA GLU 58 HA GLU 58 1.361 8.315 -7.542 440 1HB GLU 58 2HB GLU 58 2.617 10.620 -6.981 441 2HB GLU 58 1HB GLU 58 2.121 10.185 -8.618 442 1HG GLU 58 2HG GLU 58 0.055 11.454 -8.376 443 2HG GLU 58 1HG GLU 58 0.436 11.808 -6.691 444 H MET 59 H MET 59 2.799 7.910 -5.849 445 HA MET 59 HA MET 59 1.631 8.281 -3.191 446 1HB MET 59 2HB MET 59 3.737 6.474 -4.343 447 2HB MET 59 1HB MET 59 3.628 6.718 -2.599 448 1HG MET 59 2HG MET 59 2.267 4.767 -3.704 449 2HG MET 59 1HG MET 59 1.502 5.756 -2.462 450 1HE MET 59 1HE MET 59 -1.700 5.915 -4.216 451 2HE MET 59 2HE MET 59 -0.793 6.121 -2.720 452 3HE MET 59 3HE MET 59 -0.723 4.585 -3.580 453 H HIS 60 H HIS 60 2.299 9.843 -1.880 454 HA HIS 60 HA HIS 60 4.957 11.049 -2.353 455 1HB HIS 60 2HB HIS 60 2.483 12.206 -1.045 456 2HB HIS 60 1HB HIS 60 4.040 13.027 -1.151 457 HD1 HIS 60 1HD HIS 60 4.459 14.342 -3.241 458 HD2 HIS 60 2HD HIS 60 1.399 11.558 -3.754 459 HE1 HIS 60 1HE HIS 60 3.506 14.743 -5.553 460 HE2 HIS 60 2HE HIS 60 1.639 13.054 -5.881 461 H VAL 61 H VAL 61 6.467 10.923 -0.798 462 HA VAL 61 HA VAL 61 5.649 9.776 1.802 463 HB VAL 61 HB VAL 61 8.268 9.562 0.302 464 1HG1 VAL 61 1HG1 VAL 61 7.449 8.706 3.085 465 2HG1 VAL 61 2HG1 VAL 61 8.829 9.701 2.621 466 3HG1 VAL 61 3HG1 VAL 61 8.813 7.980 2.235 467 1HG2 VAL 61 1HG2 VAL 61 6.104 7.574 1.053 468 2HG2 VAL 61 2HG2 VAL 61 7.675 7.118 0.394 469 3HG2 VAL 61 3HG2 VAL 61 6.557 8.079 -0.575 470 H LEU 62 H LEU 62 6.070 10.879 3.617 471 HA LEU 62 HA LEU 62 8.068 13.031 3.581 472 1HB LEU 62 2HB LEU 62 5.846 14.050 3.061 473 2HB LEU 62 1HB LEU 62 5.248 13.438 4.604 474 HG LEU 62 HG LEU 62 7.178 14.672 5.709 475 1HD1 LEU 62 1HD1 LEU 62 8.718 15.138 4.019 476 2HD1 LEU 62 2HD1 LEU 62 7.879 16.683 4.159 477 3HD1 LEU 62 3HD1 LEU 62 7.463 15.569 2.856 478 1HD2 LEU 62 1HD2 LEU 62 5.020 15.651 5.921 479 2HD2 LEU 62 2HD2 LEU 62 4.971 16.100 4.216 480 3HD2 LEU 62 3HD2 LEU 62 6.045 16.956 5.322 481 H VAL 63 H VAL 63 9.373 11.841 4.962 482 HA VAL 63 HA VAL 63 8.232 11.225 7.621 483 HB VAL 63 HB VAL 63 10.651 9.994 6.279 484 1HG1 VAL 63 1HG1 VAL 63 10.489 8.379 8.157 485 2HG1 VAL 63 2HG1 VAL 63 9.176 9.334 8.848 486 3HG1 VAL 63 3HG1 VAL 63 10.798 10.019 8.729 487 1HG2 VAL 63 1HG2 VAL 63 7.999 8.668 6.865 488 2HG2 VAL 63 2HG2 VAL 63 9.293 8.105 5.807 489 3HG2 VAL 63 3HG2 VAL 63 8.303 9.484 5.331 490 H THR 64 H THR 64 9.077 12.192 9.370 491 HA THR 64 HA THR 64 11.471 13.883 8.977 492 HB THR 64 HB THR 64 9.234 14.193 10.995 493 HG1 THR 64 1HG THR 64 8.551 14.728 8.933 494 1HG2 THR 64 1HG2 THR 64 11.732 15.779 10.381 495 2HG2 THR 64 2HG2 THR 64 11.233 15.096 11.929 496 3HG2 THR 64 3HG2 THR 64 10.363 16.472 11.249 497 H PHE 65 H PHE 65 13.213 13.578 10.260 498 HA PHE 65 HA PHE 65 12.963 11.575 12.424 499 1HB PHE 65 2HB PHE 65 15.564 12.089 11.034 500 2HB PHE 65 1HB PHE 65 14.984 10.620 11.820 501 HD1 PHE 65 1HD PHE 65 13.660 9.003 10.639 502 HD2 PHE 65 2HD PHE 65 14.655 12.758 8.806 503 HE1 PHE 65 1HE PHE 65 12.845 8.154 8.456 504 HE2 PHE 65 2HE PHE 65 13.839 11.910 6.623 505 HZ PHE 65 HZ PHE 65 12.934 9.607 6.448 506 H ASN 66 H ASN 66 14.640 11.792 14.133 507 HA ASN 66 HA ASN 66 14.779 14.550 15.015 508 1HB ASN 66 2HB ASN 66 14.258 12.566 16.513 509 2HB ASN 66 1HB ASN 66 15.960 12.129 16.378 510 1HD2 ASN 66 1HD2 ASN 66 17.248 12.999 18.002 511 2HD2 ASN 66 2HD2 ASN 66 16.903 14.421 18.862 512 H GLU 67 H GLU 67 16.744 15.592 15.678 513 HA GLU 67 HA GLU 67 18.757 15.696 13.801 514 1HB GLU 67 2HB GLU 67 18.634 17.466 15.371 515 2HB GLU 67 1HB GLU 67 18.768 16.365 16.743 516 1HG GLU 67 2HG GLU 67 21.059 15.953 16.340 517 2HG GLU 67 1HG GLU 67 20.970 16.575 14.693 518 H ASP 68 H ASP 68 18.742 13.834 16.835 519 HA ASP 68 HA ASP 68 21.301 12.628 16.313 520 1HB ASP 68 2HB ASP 68 20.363 13.000 18.606 521 2HB ASP 68 1HB ASP 68 19.170 11.747 18.269 522 H CYS 69 H CYS 69 20.616 11.950 14.075 523 HA CYS 69 HA CYS 69 19.885 9.137 14.166 524 1HB CYS 69 2HB CYS 69 18.304 11.025 12.408 525 2HB CYS 69 1HB CYS 69 18.062 9.288 12.601 526 HG CYS 69 HG CYS 69 16.712 9.734 14.626 527 H ASP 70 H ASP 70 21.484 8.230 13.051 528 HA ASP 70 HA ASP 70 23.003 9.669 11.081 529 1HB ASP 70 2HB ASP 70 23.900 7.869 12.625 530 2HB ASP 70 1HB ASP 70 23.063 6.696 11.610 531 H ILE 71 H ILE 71 21.293 10.221 9.589 532 HA ILE 71 HA ILE 71 20.682 7.998 7.742 533 HB ILE 71 HB ILE 71 18.464 8.972 7.345 534 1HG1 ILE 71 2HG1 ILE 71 19.223 10.873 9.588 535 2HG1 ILE 71 1HG1 ILE 71 19.064 11.317 7.889 536 1HG2 ILE 71 1HG2 ILE 71 18.878 8.629 10.324 537 2HG2 ILE 71 2HG2 ILE 71 18.917 7.273 9.197 538 3HG2 ILE 71 3HG2 ILE 71 17.444 8.226 9.380 539 1HD1 ILE 71 1HD1 ILE 71 16.972 11.900 8.822 540 2HD1 ILE 71 2HD1 ILE 71 16.907 10.438 9.806 541 3HD1 ILE 71 3HD1 ILE 71 16.675 10.338 8.061 542 H LYS 72 H LYS 72 20.278 8.687 5.529 543 HA LYS 72 HA LYS 72 21.211 11.387 4.849 544 1HB LYS 72 2HB LYS 72 22.747 10.494 3.145 545 2HB LYS 72 1HB LYS 72 23.212 9.964 4.762 546 1HG LYS 72 2HG LYS 72 21.994 7.823 4.373 547 2HG LYS 72 1HG LYS 72 21.651 8.349 2.725 548 1HD LYS 72 2HD LYS 72 24.128 8.591 2.359 549 2HD LYS 72 1HD LYS 72 24.381 7.866 3.947 550 1HE LYS 72 2HE LYS 72 22.726 6.507 1.816 551 2HE LYS 72 1HE LYS 72 24.470 6.272 1.936 552 1HZ LYS 72 1HZ LYS 72 23.290 4.570 3.160 553 2HZ LYS 72 2HZ LYS 72 22.487 5.749 4.085 554 3HZ LYS 72 3HZ LYS 72 24.169 5.551 4.230 555 H ALA 73 H ALA 73 21.276 11.231 2.155 556 HA ALA 73 HA ALA 73 18.512 10.431 1.472 557 1HB ALA 73 1HB ALA 73 19.641 12.938 1.330 558 2HB ALA 73 2HB ALA 73 18.227 12.407 0.418 559 3HB ALA 73 3HB ALA 73 19.829 12.343 -0.319 560 H LEU 74 H LEU 74 18.143 9.225 -0.341 561 HA LEU 74 HA LEU 74 20.527 8.055 -1.608 562 1HB LEU 74 2HB LEU 74 17.642 7.131 -1.600 563 2HB LEU 74 1HB LEU 74 18.987 6.276 -2.356 564 HG LEU 74 HG LEU 74 18.861 6.987 0.588 565 1HD1 LEU 74 1HD1 LEU 74 17.147 5.282 -0.261 566 2HD1 LEU 74 2HD1 LEU 74 18.225 4.729 1.021 567 3HD1 LEU 74 3HD1 LEU 74 18.522 4.248 -0.649 568 1HD2 LEU 74 1HD2 LEU 74 21.122 6.703 0.126 569 2HD2 LEU 74 2HD2 LEU 74 20.816 5.589 -1.206 570 3HD2 LEU 74 3HD2 LEU 74 20.656 5.035 0.461 571 H GLY 75 H GLY 75 17.497 7.815 -3.217 572 1HA GLY 75 2HA GLY 75 18.467 8.750 -5.677 573 2HA GLY 75 1HA GLY 75 16.766 8.550 -5.271 574 H LYS 76 H LYS 76 16.016 10.420 -6.225 575 HA LYS 76 HA LYS 76 17.234 12.967 -5.972 576 1HB LYS 76 2HB LYS 76 14.985 13.813 -6.725 577 2HB LYS 76 1HB LYS 76 15.689 12.580 -7.773 578 1HG LYS 76 2HG LYS 76 14.174 10.955 -7.114 579 2HG LYS 76 1HG LYS 76 13.912 11.694 -5.533 580 1HD LYS 76 2HD LYS 76 11.912 12.142 -6.718 581 2HD LYS 76 1HD LYS 76 12.829 13.644 -6.833 582 1HE LYS 76 2HE LYS 76 13.773 12.641 -9.037 583 2HE LYS 76 1HE LYS 76 12.402 11.536 -8.943 584 1HZ LYS 76 1HZ LYS 76 11.928 13.553 -10.241 585 2HZ LYS 76 2HZ LYS 76 12.191 14.496 -8.851 586 3HZ LYS 76 3HZ LYS 76 10.903 13.388 -8.898 587 H THR 77 H THR 77 15.778 11.083 -3.661 588 HA THR 77 HA THR 77 14.081 12.636 -2.178 589 HB THR 77 HB THR 77 16.333 10.982 -1.015 590 HG1 THR 77 1HG THR 77 13.856 10.335 -2.178 591 1HG2 THR 77 1HG2 THR 77 13.620 11.848 0.012 592 2HG2 THR 77 2HG2 THR 77 15.196 12.285 0.672 593 3HG2 THR 77 3HG2 THR 77 14.619 10.622 0.793 594 H LYS 78 H LYS 78 14.241 14.689 -1.558 595 HA LYS 78 HA LYS 78 16.826 15.967 -1.240 596 1HB LYS 78 2HB LYS 78 14.807 17.076 -2.287 597 2HB LYS 78 1HB LYS 78 14.100 17.140 -0.673 598 1HG LYS 78 2HG LYS 78 15.160 19.211 -0.774 599 2HG LYS 78 1HG LYS 78 16.416 18.224 -0.027 600 1HD LYS 78 2HD LYS 78 17.490 17.884 -2.194 601 2HD LYS 78 1HD LYS 78 16.195 18.767 -3.002 602 1HE LYS 78 2HE LYS 78 18.301 20.117 -2.550 603 2HE LYS 78 1HE LYS 78 16.809 20.823 -1.929 604 1HZ LYS 78 1HZ LYS 78 18.198 19.007 -0.139 605 2HZ LYS 78 2HZ LYS 78 17.420 20.480 0.192 606 3HZ LYS 78 3HZ LYS 78 18.990 20.473 -0.455 607 H LEU 79 H LEU 79 17.920 16.031 0.606 608 HA LEU 79 HA LEU 79 16.438 15.632 3.136 609 1HB LEU 79 2HB LEU 79 17.948 13.780 2.687 610 2HB LEU 79 1HB LEU 79 19.288 14.898 2.428 611 HG LEU 79 HG LEU 79 19.148 15.660 4.744 612 1HD1 LEU 79 1HD1 LEU 79 16.899 15.570 5.365 613 2HD1 LEU 79 2HD1 LEU 79 17.555 14.176 6.224 614 3HD1 LEU 79 3HD1 LEU 79 16.681 13.947 4.709 615 1HD2 LEU 79 1HD2 LEU 79 19.213 12.662 4.331 616 2HD2 LEU 79 2HD2 LEU 79 19.598 13.409 5.882 617 3HD2 LEU 79 3HD2 LEU 79 20.582 13.767 4.464 618 H GLU 80 H GLU 80 16.530 17.205 4.615 619 HA GLU 80 HA GLU 80 18.778 19.055 4.693 620 1HB GLU 80 2HB GLU 80 17.283 21.046 4.581 621 2HB GLU 80 1HB GLU 80 17.350 20.149 3.063 622 1HG GLU 80 2HG GLU 80 15.255 18.968 3.699 623 2HG GLU 80 1HG GLU 80 15.173 19.946 5.163 624 H GLN 81 H GLN 81 18.878 20.263 6.642 625 HA GLN 81 HA GLN 81 17.252 19.088 8.805 626 1HB GLN 81 2HB GLN 81 19.751 18.859 8.910 627 2HB GLN 81 1HB GLN 81 19.851 20.614 9.047 628 1HG GLN 81 2HG GLN 81 18.496 20.563 11.084 629 2HG GLN 81 1HG GLN 81 18.304 18.817 10.935 630 1HE2 GLN 81 1HE2 GLN 81 19.427 19.570 13.293 631 2HE2 GLN 81 2HE2 GLN 81 21.104 19.303 13.297 632 H GLN 82 H GLN 82 16.364 20.431 10.423 633 HA GLN 82 HA GLN 82 15.796 23.163 9.488 634 1HB GLN 82 2HB GLN 82 14.382 21.874 11.794 635 2HB GLN 82 1HB GLN 82 13.777 23.049 10.625 636 1HG GLN 82 2HG GLN 82 14.375 20.123 10.106 637 2HG GLN 82 1HG GLN 82 12.786 20.886 10.130 638 1HE2 GLN 82 1HE2 GLN 82 14.549 19.550 7.896 639 2HE2 GLN 82 2HE2 GLN 82 14.447 20.669 6.624 640 H GLU 83 H GLU 83 15.381 24.731 11.397 641 HA GLU 83 HA GLU 83 17.854 25.037 12.798 642 1HB GLU 83 2HB GLU 83 16.864 27.049 13.717 643 2HB GLU 83 1HB GLU 83 16.444 26.941 12.007 644 1HG GLU 83 2HG GLU 83 14.275 25.846 12.702 645 2HG GLU 83 1HG GLU 83 14.688 26.236 14.371 646 H ASN 84 H ASN 84 14.656 23.849 13.637 647 HA ASN 84 HA ASN 84 14.957 23.839 16.449 648 1HB ASN 84 2HB ASN 84 13.158 22.055 16.341 649 2HB ASN 84 1HB ASN 84 12.761 23.583 15.557 650 1HD2 ASN 84 1HD2 ASN 84 14.596 20.637 14.532 651 2HD2 ASN 84 2HD2 ASN 84 13.764 20.463 13.063 652 H GLY 85 H GLY 85 16.140 21.746 13.944 653 1HA GLY 85 2HA GLY 85 18.048 20.340 14.344 654 2HA GLY 85 1HA GLY 85 17.486 20.112 15.999 655 H GLU 86 H GLU 86 16.048 19.714 12.752 656 HA GLU 86 HA GLU 86 15.555 16.882 13.364 657 1HB GLU 86 2HB GLU 86 13.442 18.866 12.495 658 2HB GLU 86 1HB GLU 86 13.226 17.115 12.469 659 1HG GLU 86 2HG GLU 86 13.694 17.030 14.898 660 2HG GLU 86 1HG GLU 86 13.868 18.785 14.918 661 H TRP 87 H TRP 87 15.260 15.567 11.511 662 HA TRP 87 HA TRP 87 16.323 16.787 9.044 663 1HB TRP 87 2HB TRP 87 16.372 13.960 10.101 664 2HB TRP 87 1HB TRP 87 16.788 14.356 8.433 665 HD1 TRP 87 HD TRP 87 18.128 14.429 11.933 666 HE1 TRP 87 1HE TRP 87 20.521 15.386 11.932 667 HE3 TRP 87 3HE TRP 87 18.383 16.159 7.135 668 HZ2 TRP 87 2HZ TRP 87 22.308 16.710 10.134 669 HZ3 TRP 87 3HZ TRP 87 20.444 17.257 6.303 670 HH2 TRP 87 HH TRP 87 22.407 17.529 7.793 671 H VAL 88 H VAL 88 15.225 16.652 7.140 672 HA VAL 88 HA VAL 88 12.629 15.237 7.174 673 HB VAL 88 HB VAL 88 13.229 17.980 6.046 674 1HG1 VAL 88 1HG1 VAL 88 10.821 16.163 5.811 675 2HG1 VAL 88 2HG1 VAL 88 11.750 16.900 4.505 676 3HG1 VAL 88 3HG1 VAL 88 10.728 17.903 5.537 677 1HG2 VAL 88 1HG2 VAL 88 11.203 17.135 8.134 678 2HG2 VAL 88 2HG2 VAL 88 11.686 18.776 7.707 679 3HG2 VAL 88 3HG2 VAL 88 12.818 17.715 8.546 680 H ALA 89 H ALA 89 12.159 14.045 5.402 681 HA ALA 89 HA ALA 89 13.809 14.379 2.988 682 1HB ALA 89 1HB ALA 89 14.160 11.954 2.839 683 2HB ALA 89 2HB ALA 89 13.320 11.730 4.374 684 3HB ALA 89 3HB ALA 89 14.858 12.593 4.327 685 H SER 90 H SER 90 12.300 14.920 1.529 686 HA SER 90 HA SER 90 9.820 13.309 1.436 687 1HB SER 90 2HB SER 90 8.646 15.207 0.625 688 2HB SER 90 1HB SER 90 9.612 15.794 1.977 689 HG SER 90 HG SER 90 10.615 17.041 0.629 690 H VAL 91 H VAL 91 9.128 12.527 -0.537 691 HA VAL 91 HA VAL 91 10.453 13.217 -3.001 692 HB VAL 91 HB VAL 91 12.048 11.615 -1.832 693 1HG1 VAL 91 1HG1 VAL 91 10.094 10.207 -0.954 694 2HG1 VAL 91 2HG1 VAL 91 11.447 9.315 -1.650 695 3HG1 VAL 91 3HG1 VAL 91 9.971 9.551 -2.586 696 1HG2 VAL 91 1HG2 VAL 91 10.836 10.674 -4.451 697 2HG2 VAL 91 2HG2 VAL 91 12.479 10.370 -3.888 698 3HG2 VAL 91 3HG2 VAL 91 11.978 12.010 -4.304 699 H VAL 92 H VAL 92 9.390 12.367 -4.829 700 HA VAL 92 HA VAL 92 6.755 11.171 -4.225 701 HB VAL 92 HB VAL 92 7.560 12.734 -6.687 702 1HG1 VAL 92 1HG1 VAL 92 5.647 11.170 -6.935 703 2HG1 VAL 92 2HG1 VAL 92 5.133 12.855 -7.045 704 3HG1 VAL 92 3HG1 VAL 92 4.855 11.943 -5.560 705 1HG2 VAL 92 1HG2 VAL 92 7.691 14.264 -4.846 706 2HG2 VAL 92 2HG2 VAL 92 6.244 13.589 -4.097 707 3HG2 VAL 92 3HG2 VAL 92 6.112 14.526 -5.584 708 H VAL 93 H VAL 93 6.199 9.268 -5.121 709 HA VAL 93 HA VAL 93 8.097 8.063 -7.045 710 HB VAL 93 HB VAL 93 6.365 6.630 -5.018 711 1HG1 VAL 93 1HG1 VAL 93 6.876 5.319 -7.041 712 2HG1 VAL 93 2HG1 VAL 93 7.761 4.688 -5.652 713 3HG1 VAL 93 3HG1 VAL 93 8.591 5.682 -6.849 714 1HG2 VAL 93 1HG2 VAL 93 8.430 6.262 -3.775 715 2HG2 VAL 93 2HG2 VAL 93 8.204 7.996 -4.003 716 3HG2 VAL 93 3HG2 VAL 93 9.359 7.119 -5.005 717 H TYR 94 H TYR 94 7.290 7.585 -8.985 718 HA TYR 94 HA TYR 94 4.439 7.891 -9.471 719 1HB TYR 94 2HB TYR 94 6.747 7.291 -11.337 720 2HB TYR 94 1HB TYR 94 5.082 7.571 -11.851 721 HD1 TYR 94 1HD TYR 94 3.985 9.773 -10.752 722 HD2 TYR 94 2HD TYR 94 8.186 9.118 -11.356 723 HE1 TYR 94 1HE TYR 94 4.376 12.221 -10.683 724 HE2 TYR 94 2HE TYR 94 8.578 11.566 -11.293 725 HH TYR 94 HH TYR 94 7.412 13.586 -10.303 726 HA PRO 95 HA PRO 95 3.303 3.669 -9.473 727 1HB PRO 95 2HB PRO 95 1.863 4.006 -12.025 728 2HB PRO 95 1HB PRO 95 1.224 3.651 -10.409 729 1HG PRO 95 2HG PRO 95 0.841 6.016 -11.565 730 2HG PRO 95 1HG PRO 95 1.106 5.864 -9.820 731 1HD PRO 95 2HD PRO 95 3.054 6.724 -11.950 732 2HD PRO 95 1HD PRO 95 2.777 7.417 -10.337 733 H CYS 96 H CYS 96 3.662 1.617 -10.454 734 HA CYS 96 HA CYS 96 4.854 0.084 -11.676 735 1HB CYS 96 2HB CYS 96 4.755 2.117 -13.910 736 2HB CYS 96 1HB CYS 96 4.905 0.365 -14.052 737 HG CYS 96 HG CYS 96 2.334 1.303 -12.642 738 H GLU 97 H GLU 97 6.147 2.582 -10.350 739 HA GLU 97 HA GLU 97 8.836 2.058 -11.438 740 1HB GLU 97 2HB GLU 97 7.586 4.757 -10.905 741 2HB GLU 97 1HB GLU 97 9.329 4.519 -11.046 742 1HG GLU 97 2HG GLU 97 7.358 3.635 -13.166 743 2HG GLU 97 1HG GLU 97 8.174 5.198 -13.196 744 H THR 98 H THR 98 10.544 2.340 -9.933 745 HA THR 98 HA THR 98 9.702 2.615 -7.114 746 HB THR 98 HB THR 98 11.845 0.680 -7.962 747 HG1 THR 98 1HG THR 98 9.486 -0.466 -7.337 748 1HG2 THR 98 1HG2 THR 98 10.043 0.974 -5.546 749 2HG2 THR 98 2HG2 THR 98 11.782 1.263 -5.608 750 3HG2 THR 98 3HG2 THR 98 11.152 -0.373 -5.796 751 H GLU 99 H GLU 99 11.001 3.849 -5.860 752 HA GLU 99 HA GLU 99 13.606 4.691 -6.966 753 1HB GLU 99 2HB GLU 99 11.565 6.528 -5.692 754 2HB GLU 99 1HB GLU 99 13.160 6.995 -6.283 755 1HG GLU 99 2HG GLU 99 12.505 6.232 -8.561 756 2HG GLU 99 1HG GLU 99 10.890 5.875 -7.951 757 H MET 100 H MET 100 15.090 5.533 -5.355 758 HA MET 100 HA MET 100 14.896 4.063 -2.860 759 1HB MET 100 2HB MET 100 17.065 5.952 -3.803 760 2HB MET 100 1HB MET 100 17.181 4.780 -2.491 761 1HG MET 100 2HG MET 100 16.705 4.112 -5.411 762 2HG MET 100 1HG MET 100 18.225 3.896 -4.542 763 1HE MET 100 1HE MET 100 17.021 2.653 -1.531 764 2HE MET 100 2HE MET 100 18.487 2.806 -2.498 765 3HE MET 100 3HE MET 100 17.843 1.207 -2.132 766 H PHE 101 H PHE 101 15.044 5.010 -0.778 767 HA PHE 101 HA PHE 101 13.979 7.767 -0.677 768 1HB PHE 101 2HB PHE 101 12.438 6.056 0.199 769 2HB PHE 101 1HB PHE 101 13.677 5.523 1.336 770 HD1 PHE 101 1HD PHE 101 12.844 6.128 3.461 771 HD2 PHE 101 2HD PHE 101 12.754 8.979 0.249 772 HE1 PHE 101 1HE PHE 101 12.095 7.887 5.042 773 HE2 PHE 101 2HE PHE 101 12.011 10.738 1.831 774 HZ PHE 101 HZ PHE 101 11.674 10.190 4.227 775 H ILE 102 H ILE 102 14.992 6.216 2.218 776 HA ILE 102 HA ILE 102 17.484 7.810 2.243 777 HB ILE 102 HB ILE 102 17.090 8.325 4.593 778 1HG1 ILE 102 2HG1 ILE 102 14.515 7.743 5.209 779 2HG1 ILE 102 1HG1 ILE 102 14.901 6.357 4.188 780 1HG2 ILE 102 1HG2 ILE 102 14.998 9.716 4.306 781 2HG2 ILE 102 2HG2 ILE 102 14.768 8.931 2.742 782 3HG2 ILE 102 3HG2 ILE 102 16.195 9.929 3.027 783 1HD1 ILE 102 1HD1 ILE 102 17.132 6.407 5.693 784 2HD1 ILE 102 2HD1 ILE 102 15.687 5.519 6.177 785 3HD1 ILE 102 3HD1 ILE 102 16.003 7.120 6.846 786 H GLU 103 H GLU 103 19.075 7.030 3.857 787 HA GLU 103 HA GLU 103 18.791 4.200 4.587 788 1HB GLU 103 2HB GLU 103 19.884 4.114 2.422 789 2HB GLU 103 1HB GLU 103 21.064 5.321 2.933 790 1HG GLU 103 2HG GLU 103 21.945 3.813 4.628 791 2HG GLU 103 1HG GLU 103 20.697 2.623 4.262 792 H GLY 104 H GLY 104 20.224 3.523 6.249 793 1HA GLY 104 2HA GLY 104 22.225 4.214 7.615 794 2HA GLY 104 1HA GLY 104 21.414 5.770 7.766 795 H ARG 105 H ARG 105 21.478 5.479 10.075 796 HA ARG 105 HA ARG 105 19.779 3.352 11.172 797 1HB ARG 105 2HB ARG 105 22.030 3.870 12.175 798 2HB ARG 105 1HB ARG 105 21.381 5.434 12.670 799 1HG ARG 105 2HG ARG 105 19.544 4.216 13.877 800 2HG ARG 105 1HG ARG 105 20.369 2.703 13.504 801 1HD ARG 105 2HD ARG 105 21.631 5.011 15.008 802 2HD ARG 105 1HD ARG 105 20.929 3.591 15.777 803 HE ARG 105 HE ARG 105 22.747 2.309 14.992 804 1HH1 ARG 105 1HH2 ARG 105 22.776 5.563 13.814 805 2HH1 ARG 105 2HH2 ARG 105 24.420 5.499 13.272 806 1HH2 ARG 105 1HH1 ARG 105 24.906 2.221 14.292 807 2HH2 ARG 105 2HH1 ARG 105 25.626 3.606 13.542 808 H VAL 106 H VAL 106 17.835 3.717 12.130 809 HA VAL 106 HA VAL 106 16.881 6.518 12.205 810 HB VAL 106 HB VAL 106 15.079 4.158 11.706 811 1HG1 VAL 106 1HG1 VAL 106 13.536 5.799 10.985 812 2HG1 VAL 106 2HG1 VAL 106 14.796 7.016 10.779 813 3HG1 VAL 106 3HG1 VAL 106 14.299 6.527 12.399 814 1HG2 VAL 106 1HG2 VAL 106 15.263 4.777 9.272 815 2HG2 VAL 106 2HG2 VAL 106 16.739 4.071 9.933 816 3HG2 VAL 106 3HG2 VAL 106 16.627 5.815 9.689 817 H ASN 107 H ASN 107 15.901 7.186 14.033 818 HA ASN 107 HA ASN 107 14.951 5.251 16.002 819 1HB ASN 107 2HB ASN 107 16.326 6.791 17.712 820 2HB ASN 107 1HB ASN 107 17.006 5.326 17.007 821 1HD2 ASN 107 1HD2 ASN 107 17.906 8.393 17.668 822 2HD2 ASN 107 2HD2 ASN 107 18.946 8.697 16.361 823 H GLY 108 H GLY 108 12.996 5.967 16.544 824 1HA GLY 108 2HA GLY 108 11.245 7.375 17.044 825 2HA GLY 108 1HA GLY 108 12.467 8.456 17.713 826 H PHE 109 H PHE 109 10.395 7.792 15.022 827 HA PHE 109 HA PHE 109 11.004 10.435 13.917 828 1HB PHE 109 2HB PHE 109 11.152 9.513 11.618 829 2HB PHE 109 1HB PHE 109 12.469 8.953 12.650 830 HD1 PHE 109 1HD PHE 109 12.356 6.660 13.680 831 HD2 PHE 109 2HD PHE 109 9.551 7.988 10.710 832 HE1 PHE 109 1HE PHE 109 11.676 4.310 13.270 833 HE2 PHE 109 2HE PHE 109 8.875 5.638 10.297 834 HZ PHE 109 HZ PHE 109 9.936 3.799 11.578 835 H LYS 110 H LYS 110 9.383 11.135 12.334 836 HA LYS 110 HA LYS 110 6.765 9.843 12.816 837 1HB LYS 110 2HB LYS 110 6.942 12.098 13.798 838 2HB LYS 110 1HB LYS 110 7.360 12.752 12.214 839 1HG LYS 110 2HG LYS 110 5.209 12.141 11.311 840 2HG LYS 110 1HG LYS 110 4.798 11.233 12.766 841 1HD LYS 110 2HD LYS 110 3.685 13.410 12.823 842 2HD LYS 110 1HD LYS 110 4.918 13.344 14.083 843 1HE LYS 110 2HE LYS 110 6.387 14.743 12.897 844 2HE LYS 110 1HE LYS 110 5.583 14.437 11.357 845 1HZ LYS 110 1HZ LYS 110 4.199 15.785 13.595 846 2HZ LYS 110 2HZ LYS 110 3.785 15.775 11.947 847 3HZ LYS 110 3HZ LYS 110 5.139 16.651 12.481 848 H SER 111 H SER 111 5.716 9.070 11.096 849 HA SER 111 HA SER 111 6.734 9.792 8.416 850 1HB SER 111 2HB SER 111 5.270 7.277 9.237 851 2HB SER 111 1HB SER 111 6.002 7.607 7.670 852 HG SER 111 HG SER 111 7.177 6.984 10.124 853 H LYS 112 H LYS 112 5.391 10.668 6.966 854 HA LYS 112 HA LYS 112 2.485 10.462 7.376 855 1HB LYS 112 2HB LYS 112 3.306 12.623 8.359 856 2HB LYS 112 1HB LYS 112 3.880 13.074 6.752 857 1HG LYS 112 2HG LYS 112 1.665 13.051 5.851 858 2HG LYS 112 1HG LYS 112 1.017 12.257 7.285 859 1HD LYS 112 2HD LYS 112 0.477 14.655 7.320 860 2HD LYS 112 1HD LYS 112 1.582 14.255 8.635 861 1HE LYS 112 2HE LYS 112 2.770 15.083 6.022 862 2HE LYS 112 1HE LYS 112 2.040 16.335 7.028 863 1HZ LYS 112 1HZ LYS 112 4.360 16.084 7.569 864 2HZ LYS 112 2HZ LYS 112 4.154 14.423 7.863 865 3HZ LYS 112 3HZ LYS 112 3.417 15.567 8.880 866 H MET 113 H MET 113 1.544 9.813 5.548 867 HA MET 113 HA MET 113 2.805 10.542 2.977 868 1HB MET 113 2HB MET 113 1.593 7.852 3.650 869 2HB MET 113 1HB MET 113 2.328 8.316 2.115 870 1HG MET 113 2HG MET 113 4.097 7.217 3.173 871 2HG MET 113 1HG MET 113 4.411 8.899 3.603 872 1HE MET 113 1HE MET 113 4.085 5.314 5.246 873 2HE MET 113 2HE MET 113 2.655 5.767 4.322 874 3HE MET 113 3HE MET 113 2.541 5.577 6.069 875 H ASP 114 H ASP 114 1.269 10.136 1.113 876 HA ASP 114 HA ASP 114 -1.562 10.250 1.699 877 1HB ASP 114 2HB ASP 114 -0.644 12.614 2.058 878 2HB ASP 114 1HB ASP 114 -0.351 12.644 0.320 879 H ALA 115 H ALA 115 -2.799 10.659 -0.428 880 HA ALA 115 HA ALA 115 -1.293 9.460 -2.676 881 1HB ALA 115 1HB ALA 115 -4.183 8.949 -1.934 882 2HB ALA 115 2HB ALA 115 -2.847 7.830 -1.663 883 3HB ALA 115 3HB ALA 115 -3.326 8.251 -3.308 884 H LEU 116 H LEU 116 -0.913 11.525 -3.573 885 HA LEU 116 HA LEU 116 -3.179 13.228 -4.231 886 1HB LEU 116 2HB LEU 116 -0.363 13.606 -5.226 887 2HB LEU 116 1HB LEU 116 -1.595 14.827 -4.905 888 HG LEU 116 HG LEU 116 -0.131 13.148 -2.848 889 1HD1 LEU 116 1HD1 LEU 116 -0.228 16.155 -3.210 890 2HD1 LEU 116 2HD1 LEU 116 1.054 15.141 -3.870 891 3HD1 LEU 116 3HD1 LEU 116 0.820 15.241 -2.125 892 1HD2 LEU 116 1HD2 LEU 116 -2.365 13.383 -2.040 893 2HD2 LEU 116 2HD2 LEU 116 -2.480 15.043 -2.626 894 3HD2 LEU 116 3HD2 LEU 116 -1.447 14.664 -1.248 895 HA PRO 117 HA PRO 117 -3.853 11.564 -8.251 896 1HB PRO 117 2HB PRO 117 -4.863 13.753 -9.529 897 2HB PRO 117 1HB PRO 117 -5.774 12.836 -8.315 898 1HG PRO 117 2HG PRO 117 -4.311 15.414 -8.036 899 2HG PRO 117 1HG PRO 117 -5.865 14.917 -7.347 900 1HD PRO 117 2HD PRO 117 -3.532 14.930 -5.910 901 2HD PRO 117 1HD PRO 117 -4.878 13.822 -5.566 902 H LEU 118 H LEU 118 -2.875 11.398 -10.267 903 HA LEU 118 HA LEU 118 -0.297 12.557 -10.581 904 1HB LEU 118 2HB LEU 118 -2.002 11.155 -12.653 905 2HB LEU 118 1HB LEU 118 -0.259 11.416 -12.734 906 HG LEU 118 HG LEU 118 -1.460 9.988 -10.374 907 1HD1 LEU 118 1HD1 LEU 118 -0.647 8.710 -13.003 908 2HD1 LEU 118 2HD1 LEU 118 -2.305 8.862 -12.421 909 3HD1 LEU 118 3HD1 LEU 118 -1.153 7.856 -11.545 910 1HD2 LEU 118 1HD2 LEU 118 1.188 9.600 -11.793 911 2HD2 LEU 118 2HD2 LEU 118 0.746 9.078 -10.167 912 3HD2 LEU 118 3HD2 LEU 118 0.964 10.793 -10.514 913 H SER 119 H SER 119 0.403 14.242 -11.813 914 HA SER 119 HA SER 119 -1.670 15.827 -13.210 915 1HB SER 119 2HB SER 119 -0.764 16.778 -11.004 916 2HB SER 119 1HB SER 119 0.752 17.019 -11.867 917 HG SER 119 HG SER 119 -1.027 17.946 -13.476 918 H GLU 120 H GLU 120 0.108 17.756 -14.229 919 HA GLU 120 HA GLU 120 0.943 16.546 -16.619 920 1HB GLU 120 2HB GLU 120 1.995 18.660 -17.139 921 2HB GLU 120 1HB GLU 120 0.472 18.985 -16.311 922 1HG GLU 120 2HG GLU 120 1.787 19.131 -14.154 923 2HG GLU 120 1HG GLU 120 3.256 19.066 -15.125 924 H GLU 121 H GLU 121 2.617 17.123 -13.591 925 HA GLU 121 HA GLU 121 5.265 16.737 -14.430 926 1HB GLU 121 2HB GLU 121 3.955 16.037 -11.792 927 2HB GLU 121 1HB GLU 121 5.696 16.085 -12.071 928 1HG GLU 121 2HG GLU 121 5.497 18.467 -12.750 929 2HG GLU 121 1HG GLU 121 3.774 18.409 -12.380 930 H TYR 122 H TYR 122 2.763 14.415 -13.490 931 HA TYR 122 HA TYR 122 4.435 12.112 -13.595 932 1HB TYR 122 2HB TYR 122 2.429 11.835 -12.393 933 2HB TYR 122 1HB TYR 122 1.454 12.538 -13.685 934 HD1 TYR 122 1HD TYR 122 0.311 11.101 -15.121 935 HD2 TYR 122 2HD TYR 122 3.839 9.694 -13.113 936 HE1 TYR 122 1HE TYR 122 -0.023 8.852 -16.109 937 HE2 TYR 122 2HE TYR 122 3.505 7.446 -14.104 938 HH TYR 122 HH TYR 122 0.668 6.434 -15.449 939 H ARG 123 H ARG 123 2.295 13.690 -15.942 940 HA ARG 123 HA ARG 123 2.483 11.779 -17.994 941 1HB ARG 123 2HB ARG 123 2.145 14.779 -18.228 942 2HB ARG 123 1HB ARG 123 1.795 13.602 -19.494 943 1HG ARG 123 2HG ARG 123 0.516 13.277 -16.798 944 2HG ARG 123 1HG ARG 123 -0.147 14.453 -17.933 945 1HD ARG 123 2HD ARG 123 0.300 11.510 -18.501 946 2HD ARG 123 1HD ARG 123 -1.258 12.268 -18.186 947 HE ARG 123 HE ARG 123 0.179 13.469 -20.386 948 1HH1 ARG 123 1HH2 ARG 123 -1.939 10.934 -19.357 949 2HH1 ARG 123 2HH2 ARG 123 -2.647 10.703 -20.920 950 1HH2 ARG 123 1HH1 ARG 123 -0.746 13.174 -22.439 951 2HH2 ARG 123 2HH1 ARG 123 -1.972 11.972 -22.665 952 H GLN 124 H GLN 124 4.505 14.583 -17.217 953 HA GLN 124 HA GLN 124 6.210 14.384 -19.479 954 1HB GLN 124 2HB GLN 124 6.002 16.403 -18.023 955 2HB GLN 124 1HB GLN 124 6.866 15.531 -16.756 956 1HG GLN 124 2HG GLN 124 8.799 15.249 -18.244 957 2HG GLN 124 1HG GLN 124 7.937 16.076 -19.540 958 1HE2 GLN 124 1HE2 GLN 124 10.335 17.218 -18.778 959 2HE2 GLN 124 2HE2 GLN 124 10.062 18.631 -17.877 960 H HIS 125 H HIS 125 6.304 12.982 -16.238 961 HA HIS 125 HA HIS 125 8.895 11.938 -16.256 962 1HB HIS 125 2HB HIS 125 7.807 11.774 -14.198 963 2HB HIS 125 1HB HIS 125 6.337 11.115 -14.916 964 HD1 HIS 125 1HD HIS 125 9.929 10.120 -14.181 965 HD2 HIS 125 2HD HIS 125 6.263 8.330 -15.038 966 HE1 HIS 125 1HE HIS 125 10.257 7.629 -13.863 967 HE2 HIS 125 2HE HIS 125 8.028 6.525 -14.373 968 H GLN 126 H GLN 126 6.291 11.189 -18.269 969 HA GLN 126 HA GLN 126 7.138 8.444 -18.797 970 1HB GLN 126 2HB GLN 126 4.995 10.099 -20.153 971 2HB GLN 126 1HB GLN 126 5.232 8.359 -20.307 972 1HG GLN 126 2HG GLN 126 4.800 8.080 -17.897 973 2HG GLN 126 1HG GLN 126 4.572 9.819 -17.733 974 1HE2 GLN 126 1HE2 GLN 126 2.483 7.935 -17.100 975 2HE2 GLN 126 2HE2 GLN 126 1.226 8.157 -18.219 976 H ALA 127 H ALA 127 7.618 11.637 -20.018 977 HA ALA 127 HA ALA 127 8.338 10.914 -22.695 978 1HB ALA 127 1HB ALA 127 7.601 13.214 -21.893 979 2HB ALA 127 2HB ALA 127 9.015 13.184 -22.948 980 3HB ALA 127 3HB ALA 127 9.217 13.391 -21.208 981 H GLU 128 H GLU 128 10.177 11.660 -19.743 982 HA GLU 128 HA GLU 128 12.755 11.490 -20.808 983 1HB GLU 128 2HB GLU 128 13.515 11.176 -18.547 984 2HB GLU 128 1HB GLU 128 12.140 12.279 -18.498 985 1HG GLU 128 2HG GLU 128 10.672 10.259 -18.049 986 2HG GLU 128 1HG GLU 128 12.152 9.326 -17.836 987 H LYS 129 H LYS 129 10.485 8.988 -19.910 988 HA LYS 129 HA LYS 129 12.191 6.790 -19.675 989 1HB LYS 129 2HB LYS 129 9.378 6.939 -20.783 990 2HB LYS 129 1HB LYS 129 10.210 5.440 -20.368 991 1HG LYS 129 2HG LYS 129 10.540 6.380 -18.040 992 2HG LYS 129 1HG LYS 129 9.466 7.703 -18.497 993 1HD LYS 129 2HD LYS 129 7.740 5.962 -19.123 994 2HD LYS 129 1HD LYS 129 8.797 4.750 -18.398 995 1HE LYS 129 2HE LYS 129 7.806 7.201 -16.921 996 2HE LYS 129 1HE LYS 129 7.009 5.631 -16.845 997 1HZ LYS 129 1HZ LYS 129 8.406 5.261 -15.158 998 2HZ LYS 129 2HZ LYS 129 9.459 6.516 -15.607 999 3HZ LYS 129 3HZ LYS 129 9.575 4.996 -16.356 1000 H ASP 130 H ASP 130 11.200 8.590 -22.472 1001 HA ASP 130 HA ASP 130 12.890 6.858 -24.145 1002 1HB ASP 130 2HB ASP 130 11.238 6.917 -25.959 1003 2HB ASP 130 1HB ASP 130 10.566 6.143 -24.525 1004 H LYS 131 H LYS 131 13.162 7.966 -26.382 1005 HA LYS 131 HA LYS 131 14.231 10.588 -25.886 1006 1HB LYS 131 2HB LYS 131 14.989 10.494 -28.193 1007 2HB LYS 131 1HB LYS 131 15.305 8.941 -27.417 1008 1HG LYS 131 2HG LYS 131 13.126 8.107 -28.366 1009 2HG LYS 131 1HG LYS 131 13.009 9.614 -29.275 1010 1HD LYS 131 2HD LYS 131 15.306 9.086 -30.228 1011 2HD LYS 131 1HD LYS 131 15.146 7.484 -29.508 1012 1HE LYS 131 2HE LYS 131 14.381 7.305 -31.782 1013 2HE LYS 131 1HE LYS 131 12.949 7.255 -30.753 1014 1HZ LYS 131 1HZ LYS 131 12.350 9.387 -31.326 1015 2HZ LYS 131 2HZ LYS 131 12.993 8.815 -32.792 1016 3HZ LYS 131 3HZ LYS 131 13.919 9.831 -31.793 Start of MODEL 11 1 H MET 1 1H MET 1 -1.335 -32.884 5.149 2 HA MET 1 HA MET 1 -0.615 -33.150 2.288 3 1HB MET 1 2HB MET 1 -3.037 -33.253 3.014 4 2HB MET 1 1HB MET 1 -2.849 -31.616 3.643 5 1HG MET 1 2HG MET 1 -2.080 -30.906 1.351 6 2HG MET 1 1HG MET 1 -2.507 -32.515 0.770 7 1HE MET 1 1HE MET 1 -6.161 -32.899 1.080 8 2HE MET 1 2HE MET 1 -5.344 -33.050 2.633 9 3HE MET 1 3HE MET 1 -4.551 -33.626 1.169 10 H GLY 2 H GLY 2 -0.882 -30.984 5.088 11 1HA GLY 2 2HA GLY 2 0.018 -28.634 3.779 12 2HA GLY 2 1HA GLY 2 0.026 -28.911 5.517 13 H CYS 3 H CYS 3 2.008 -27.964 3.240 14 HA CYS 3 HA CYS 3 4.236 -29.698 3.324 15 1HB CYS 3 2HB CYS 3 4.104 -26.708 2.869 16 2HB CYS 3 1HB CYS 3 5.521 -27.711 2.564 17 HG CYS 3 HG CYS 3 3.074 -27.523 0.763 18 H GLY 4 H GLY 4 3.193 -27.055 5.411 19 1HA GLY 4 2HA GLY 4 4.725 -28.023 7.617 20 2HA GLY 4 1HA GLY 4 5.465 -26.588 6.915 21 H ALA 5 H ALA 5 5.003 -25.644 9.052 22 HA ALA 5 HA ALA 5 2.492 -25.276 10.172 23 1HB ALA 5 1HB ALA 5 4.455 -24.588 11.376 24 2HB ALA 5 2HB ALA 5 3.458 -23.154 11.123 25 3HB ALA 5 3HB ALA 5 4.882 -23.426 10.120 26 H SER 6 H SER 6 0.870 -23.748 9.953 27 HA SER 6 HA SER 6 0.289 -22.821 7.360 28 1HB SER 6 2HB SER 6 -1.588 -21.678 8.371 29 2HB SER 6 1HB SER 6 -1.395 -23.241 9.158 30 HG SER 6 HG SER 6 -0.817 -20.658 10.097 31 H SER 7 H SER 7 2.043 -21.387 10.006 32 HA SER 7 HA SER 7 3.132 -19.375 10.243 33 1HB SER 7 2HB SER 7 3.237 -19.787 7.256 34 2HB SER 7 1HB SER 7 4.035 -18.433 8.051 35 HG SER 7 HG SER 7 5.185 -20.586 7.711 36 H GLU 8 H GLU 8 3.081 -17.004 9.613 37 HA GLU 8 HA GLU 8 0.468 -16.001 9.881 38 1HB GLU 8 2HB GLU 8 2.989 -14.610 8.942 39 2HB GLU 8 1HB GLU 8 1.500 -13.791 9.415 40 1HG GLU 8 2HG GLU 8 2.863 -13.764 11.363 41 2HG GLU 8 1HG GLU 8 1.693 -15.053 11.638 42 H ASN 9 H ASN 9 -1.024 -15.260 8.451 43 HA ASN 9 HA ASN 9 -0.592 -15.927 5.635 44 1HB ASN 9 2HB ASN 9 -2.968 -15.734 5.390 45 2HB ASN 9 1HB ASN 9 -2.671 -16.625 6.882 46 1HD2 ASN 9 1HD2 ASN 9 -5.114 -15.150 6.413 47 2HD2 ASN 9 2HD2 ASN 9 -5.163 -13.868 7.525 48 H SER 10 H SER 10 0.092 -13.346 7.474 49 HA SER 10 HA SER 10 -1.070 -11.146 6.151 50 1HB SER 10 2HB SER 10 0.669 -9.823 7.183 51 2HB SER 10 1HB SER 10 0.144 -11.048 8.334 52 HG SER 10 HG SER 10 2.186 -11.550 8.378 53 H SER 11 H SER 11 2.310 -12.256 5.840 54 HA SER 11 HA SER 11 3.823 -11.865 4.126 55 1HB SER 11 2HB SER 11 1.556 -12.885 2.415 56 2HB SER 11 1HB SER 11 3.285 -13.096 2.159 57 HG SER 11 HG SER 11 1.608 -14.249 4.122 58 H VAL 12 H VAL 12 3.374 -11.300 1.409 59 HA VAL 12 HA VAL 12 2.073 -8.651 1.462 60 HB VAL 12 HB VAL 12 4.731 -9.187 0.127 61 1HG1 VAL 12 1HG1 VAL 12 3.197 -7.330 -0.698 62 2HG1 VAL 12 2HG1 VAL 12 4.797 -6.808 -0.171 63 3HG1 VAL 12 3HG1 VAL 12 3.402 -6.574 0.882 64 1HG2 VAL 12 1HG2 VAL 12 4.109 -7.919 2.813 65 2HG2 VAL 12 2HG2 VAL 12 5.681 -7.847 2.016 66 3HG2 VAL 12 3HG2 VAL 12 5.028 -9.400 2.540 67 H THR 13 H THR 13 0.988 -8.098 -0.375 68 HA THR 13 HA THR 13 1.214 -9.906 -2.699 69 HB THR 13 HB THR 13 -0.795 -10.444 -1.262 70 HG1 THR 13 1HG THR 13 -1.613 -11.026 -3.087 71 1HG2 THR 13 1HG2 THR 13 -1.155 -7.964 -0.712 72 2HG2 THR 13 2HG2 THR 13 -2.595 -8.902 -1.106 73 3HG2 THR 13 3HG2 THR 13 -1.883 -7.831 -2.313 74 H TYR 14 H TYR 14 0.678 -8.970 -4.715 75 HA TYR 14 HA TYR 14 0.423 -6.026 -4.712 76 1HB TYR 14 2HB TYR 14 2.300 -7.734 -6.355 77 2HB TYR 14 1HB TYR 14 1.925 -6.055 -6.747 78 HD1 TYR 14 1HD TYR 14 2.182 -4.336 -4.769 79 HD2 TYR 14 2HD TYR 14 4.066 -8.194 -4.891 80 HE1 TYR 14 1HE TYR 14 3.855 -3.571 -3.107 81 HE2 TYR 14 2HE TYR 14 5.740 -7.429 -3.229 82 HH TYR 14 HH TYR 14 6.363 -5.784 -1.874 83 H VAL 15 H VAL 15 -0.185 -5.241 -6.985 84 HA VAL 15 HA VAL 15 -1.923 -7.163 -8.380 85 HB VAL 15 HB VAL 15 -3.657 -6.229 -7.229 86 1HG1 VAL 15 1HG1 VAL 15 -3.567 -3.890 -6.311 87 2HG1 VAL 15 2HG1 VAL 15 -1.932 -3.751 -6.955 88 3HG1 VAL 15 3HG1 VAL 15 -2.286 -4.937 -5.700 89 1HG2 VAL 15 1HG2 VAL 15 -4.735 -4.563 -8.544 90 2HG2 VAL 15 2HG2 VAL 15 -3.707 -5.437 -9.679 91 3HG2 VAL 15 3HG2 VAL 15 -3.200 -3.865 -9.059 92 H ASN 16 H ASN 16 -0.995 -3.711 -8.403 93 HA ASN 16 HA ASN 16 -1.227 -3.410 -11.205 94 1HB ASN 16 2HB ASN 16 0.286 -1.836 -9.116 95 2HB ASN 16 1HB ASN 16 0.198 -1.354 -10.810 96 1HD2 ASN 16 1HD2 ASN 16 -1.288 -0.837 -7.863 97 2HD2 ASN 16 2HD2 ASN 16 -2.824 -0.370 -8.415 98 H GLY 17 H GLY 17 1.351 -4.562 -9.153 99 1HA GLY 17 2HA GLY 17 2.754 -5.968 -11.036 100 2HA GLY 17 1HA GLY 17 3.428 -4.343 -11.130 101 H ARG 18 H ARG 18 5.144 -6.267 -10.423 102 HA ARG 18 HA ARG 18 5.284 -6.382 -7.497 103 1HB ARG 18 2HB ARG 18 7.174 -7.613 -9.511 104 2HB ARG 18 1HB ARG 18 7.016 -8.016 -7.801 105 1HG ARG 18 2HG ARG 18 4.635 -8.246 -9.624 106 2HG ARG 18 1HG ARG 18 5.835 -9.539 -9.571 107 1HD ARG 18 2HD ARG 18 4.321 -8.430 -7.190 108 2HD ARG 18 1HD ARG 18 4.018 -9.979 -7.973 109 HE ARG 18 HE ARG 18 6.146 -9.378 -6.119 110 1HH1 ARG 18 1HH2 ARG 18 5.106 -11.334 -8.776 111 2HH1 ARG 18 2HH2 ARG 18 6.157 -12.657 -8.393 112 1HH2 ARG 18 1HH1 ARG 18 7.527 -11.108 -5.611 113 2HH2 ARG 18 2HH1 ARG 18 7.528 -12.528 -6.601 114 HA PRO 19 HA PRO 19 8.277 -3.142 -7.323 115 1HB PRO 19 2HB PRO 19 9.427 -3.690 -4.926 116 2HB PRO 19 1HB PRO 19 7.771 -3.070 -5.069 117 1HG PRO 19 2HG PRO 19 8.718 -5.840 -4.551 118 2HG PRO 19 1HG PRO 19 7.326 -4.977 -3.880 119 1HD PRO 19 2HD PRO 19 7.156 -6.836 -5.923 120 2HD PRO 19 1HD PRO 19 5.960 -5.554 -5.638 121 H THR 20 H THR 20 10.342 -2.789 -8.006 122 HA THR 20 HA THR 20 11.951 -5.053 -8.780 123 HB THR 20 HB THR 20 11.744 -2.946 -10.132 124 HG1 THR 20 1HG THR 20 14.354 -2.845 -9.873 125 1HG2 THR 20 1HG2 THR 20 11.969 -1.532 -7.957 126 2HG2 THR 20 2HG2 THR 20 12.732 -0.937 -9.432 127 3HG2 THR 20 3HG2 THR 20 13.705 -1.735 -8.197 128 H PHE 21 H PHE 21 11.659 -3.158 -5.984 129 HA PHE 21 HA PHE 21 14.359 -3.960 -5.076 130 1HB PHE 21 2HB PHE 21 13.994 -1.510 -5.140 131 2HB PHE 21 1HB PHE 21 12.622 -1.702 -4.047 132 HD1 PHE 21 1HD PHE 21 16.298 -2.063 -4.370 133 HD2 PHE 21 2HD PHE 21 12.934 -2.119 -1.699 134 HE1 PHE 21 1HE PHE 21 17.839 -2.038 -2.427 135 HE2 PHE 21 2HE PHE 21 14.476 -2.094 0.244 136 HZ PHE 21 HZ PHE 21 16.928 -2.053 -0.121 137 H VAL 22 H VAL 22 14.496 -5.346 -3.419 138 HA VAL 22 HA VAL 22 12.133 -5.741 -1.697 139 HB VAL 22 HB VAL 22 13.764 -8.115 -2.491 140 1HG1 VAL 22 1HG1 VAL 22 11.764 -9.291 -1.961 141 2HG1 VAL 22 2HG1 VAL 22 10.785 -7.829 -2.071 142 3HG1 VAL 22 3HG1 VAL 22 11.902 -8.042 -0.723 143 1HG2 VAL 22 1HG2 VAL 22 11.631 -6.773 -4.173 144 2HG2 VAL 22 2HG2 VAL 22 12.105 -8.458 -4.381 145 3HG2 VAL 22 3HG2 VAL 22 13.280 -7.172 -4.655 146 H GLY 23 H GLY 23 12.660 -5.548 0.378 147 1HA GLY 23 2HA GLY 23 15.493 -5.824 1.152 148 2HA GLY 23 1HA GLY 23 14.275 -4.909 2.038 149 H GLU 24 H GLU 24 13.216 -5.880 3.680 150 HA GLU 24 HA GLU 24 13.091 -8.798 3.824 151 1HB GLU 24 2HB GLU 24 15.239 -8.125 4.923 152 2HB GLU 24 1HB GLU 24 14.299 -7.172 6.071 153 1HG GLU 24 2HG GLU 24 13.065 -9.212 6.740 154 2HG GLU 24 1HG GLU 24 14.039 -10.159 5.617 155 H GLU 25 H GLU 25 12.523 -5.833 5.738 156 HA GLU 25 HA GLU 25 9.990 -6.962 6.695 157 1HB GLU 25 2HB GLU 25 11.606 -5.864 8.280 158 2HB GLU 25 1HB GLU 25 11.287 -4.338 7.455 159 1HG GLU 25 2HG GLU 25 9.825 -4.448 9.372 160 2HG GLU 25 1HG GLU 25 8.837 -4.682 7.931 161 H VAL 26 H VAL 26 8.092 -6.414 5.840 162 HA VAL 26 HA VAL 26 7.976 -4.001 4.129 163 HB VAL 26 HB VAL 26 6.208 -6.421 3.801 164 1HG1 VAL 26 1HG1 VAL 26 5.470 -4.336 2.739 165 2HG1 VAL 26 2HG1 VAL 26 6.000 -5.482 1.509 166 3HG1 VAL 26 3HG1 VAL 26 7.050 -4.145 1.980 167 1HG2 VAL 26 1HG2 VAL 26 7.826 -6.931 1.863 168 2HG2 VAL 26 2HG2 VAL 26 8.385 -7.331 3.487 169 3HG2 VAL 26 3HG2 VAL 26 8.966 -5.869 2.690 170 H THR 27 H THR 27 6.353 -2.572 4.474 171 HA THR 27 HA THR 27 4.148 -3.303 6.268 172 HB THR 27 HB THR 27 5.386 -0.671 6.822 173 HG1 THR 27 1HG THR 27 6.510 -2.843 8.137 174 1HG2 THR 27 1HG2 THR 27 3.356 -1.805 7.942 175 2HG2 THR 27 2HG2 THR 27 4.574 -1.092 9.000 176 3HG2 THR 27 3HG2 THR 27 4.542 -2.836 8.742 177 H LYS 28 H LYS 28 2.258 -2.356 5.717 178 HA LYS 28 HA LYS 28 2.230 -0.706 3.318 179 1HB LYS 28 2HB LYS 28 -0.334 -0.904 3.788 180 2HB LYS 28 1HB LYS 28 0.551 -2.321 3.222 181 1HG LYS 28 2HG LYS 28 0.499 -1.911 6.162 182 2HG LYS 28 1HG LYS 28 -1.036 -2.358 5.415 183 1HD LYS 28 2HD LYS 28 -0.003 -4.318 4.383 184 2HD LYS 28 1HD LYS 28 1.575 -3.852 5.022 185 1HE LYS 28 2HE LYS 28 -0.817 -4.353 6.805 186 2HE LYS 28 1HE LYS 28 0.320 -5.626 6.361 187 1HZ LYS 28 1HZ LYS 28 0.591 -3.679 8.351 188 2HZ LYS 28 2HZ LYS 28 1.783 -3.387 7.175 189 3HZ LYS 28 3HZ LYS 28 1.682 -4.907 7.928 190 H GLY 29 H GLY 29 2.559 1.411 3.563 191 1HA GLY 29 2HA GLY 29 2.340 2.916 5.886 192 2HA GLY 29 1HA GLY 29 2.247 3.584 4.259 193 H PHE 30 H PHE 30 -0.049 2.621 3.248 194 HA PHE 30 HA PHE 30 -2.065 3.968 4.872 195 1HB PHE 30 2HB PHE 30 -2.176 2.832 2.069 196 2HB PHE 30 1HB PHE 30 -3.483 3.721 2.851 197 HD1 PHE 30 1HD PHE 30 -3.209 6.117 3.432 198 HD2 PHE 30 2HD PHE 30 -0.202 3.959 1.254 199 HE1 PHE 30 1HE PHE 30 -2.160 8.260 2.758 200 HE2 PHE 30 2HE PHE 30 0.849 6.102 0.580 201 HZ PHE 30 HZ PHE 30 -0.131 8.252 1.331 202 H GLU 31 H GLU 31 -3.612 2.969 6.004 203 HA GLU 31 HA GLU 31 -3.648 0.048 6.040 204 1HB GLU 31 2HB GLU 31 -5.098 2.079 7.757 205 2HB GLU 31 1HB GLU 31 -5.102 0.333 8.014 206 1HG GLU 31 2HG GLU 31 -2.627 0.385 8.238 207 2HG GLU 31 1HG GLU 31 -2.667 2.138 8.060 208 H LYS 32 H LYS 32 -4.871 1.943 3.903 209 HA LYS 32 HA LYS 32 -7.577 0.745 3.930 210 1HB LYS 32 2HB LYS 32 -7.417 3.280 4.093 211 2HB LYS 32 1HB LYS 32 -6.778 3.251 2.448 212 1HG LYS 32 2HG LYS 32 -9.094 3.551 2.126 213 2HG LYS 32 1HG LYS 32 -8.868 1.818 1.889 214 1HD LYS 32 2HD LYS 32 -9.700 1.304 4.057 215 2HD LYS 32 1HD LYS 32 -9.568 2.980 4.589 216 1HE LYS 32 2HE LYS 32 -11.434 2.009 2.404 217 2HE LYS 32 1HE LYS 32 -11.919 2.332 4.069 218 1HZ LYS 32 1HZ LYS 32 -11.048 4.621 3.756 219 2HZ LYS 32 2HZ LYS 32 -12.388 4.254 2.778 220 3HZ LYS 32 3HZ LYS 32 -10.825 4.274 2.111 221 H ASP 33 H ASP 33 -8.384 -0.101 1.993 222 HA ASP 33 HA ASP 33 -8.271 -1.232 -0.003 223 1HB ASP 33 2HB ASP 33 -6.128 0.814 -0.626 224 2HB ASP 33 1HB ASP 33 -6.968 -0.196 -1.801 225 H ASN 34 H ASN 34 -6.013 -1.701 -1.670 226 HA ASN 34 HA ASN 34 -4.849 -3.912 -0.275 227 1HB ASN 34 2HB ASN 34 -4.123 -2.697 -2.951 228 2HB ASN 34 1HB ASN 34 -3.584 -4.265 -2.353 229 1HD2 ASN 34 1HD2 ASN 34 -6.007 -5.206 -1.187 230 2HD2 ASN 34 2HD2 ASN 34 -7.153 -5.422 -2.420 231 H GLY 35 H GLY 35 -4.310 -1.410 1.015 232 1HA GLY 35 2HA GLY 35 -2.537 -0.493 2.175 233 2HA GLY 35 1HA GLY 35 -1.490 -1.693 1.423 234 H LEU 36 H LEU 36 -2.555 -0.772 -1.272 235 HA LEU 36 HA LEU 36 -1.895 0.655 -2.944 236 1HB LEU 36 2HB LEU 36 -1.561 2.728 -0.773 237 2HB LEU 36 1HB LEU 36 -1.910 2.999 -2.480 238 HG LEU 36 HG LEU 36 -3.736 1.613 -0.493 239 1HD1 LEU 36 1HD1 LEU 36 -5.135 3.567 -0.694 240 2HD1 LEU 36 2HD1 LEU 36 -4.112 4.234 -1.966 241 3HD1 LEU 36 3HD1 LEU 36 -3.506 4.128 -0.314 242 1HD2 LEU 36 1HD2 LEU 36 -5.340 1.920 -2.525 243 2HD2 LEU 36 2HD2 LEU 36 -4.183 0.589 -2.569 244 3HD2 LEU 36 3HD2 LEU 36 -3.860 2.069 -3.471 245 H LEU 37 H LEU 37 0.033 2.048 -0.304 246 HA LEU 37 HA LEU 37 2.454 1.496 -1.896 247 1HB LEU 37 2HB LEU 37 1.984 3.867 -1.307 248 2HB LEU 37 1HB LEU 37 2.085 3.434 0.400 249 HG LEU 37 HG LEU 37 4.410 2.425 -0.260 250 1HD1 LEU 37 1HD1 LEU 37 3.698 3.059 -2.760 251 2HD1 LEU 37 2HD1 LEU 37 5.381 3.114 -2.236 252 3HD1 LEU 37 3HD1 LEU 37 4.430 4.598 -2.309 253 1HD2 LEU 37 1HD2 LEU 37 4.292 4.280 1.248 254 2HD2 LEU 37 2HD2 LEU 37 3.764 5.374 -0.029 255 3HD2 LEU 37 3HD2 LEU 37 5.419 4.766 -0.018 256 H PHE 38 H PHE 38 4.033 0.204 -1.142 257 HA PHE 38 HA PHE 38 3.695 -0.910 1.577 258 1HB PHE 38 2HB PHE 38 4.917 -2.121 -0.911 259 2HB PHE 38 1HB PHE 38 5.001 -2.859 0.688 260 HD1 PHE 38 1HD PHE 38 2.735 -1.841 -2.054 261 HD2 PHE 38 2HD PHE 38 3.065 -3.877 1.713 262 HE1 PHE 38 1HE PHE 38 0.472 -2.802 -2.376 263 HE2 PHE 38 2HE PHE 38 0.802 -4.839 1.391 264 HZ PHE 38 HZ PHE 38 -0.495 -4.302 -0.654 265 H ARG 39 H ARG 39 5.194 -0.374 3.021 266 HA ARG 39 HA ARG 39 7.569 1.067 2.210 267 1HB ARG 39 2HB ARG 39 6.404 1.790 4.210 268 2HB ARG 39 1HB ARG 39 6.571 0.186 4.928 269 1HG ARG 39 2HG ARG 39 8.940 0.407 5.113 270 2HG ARG 39 1HG ARG 39 8.960 1.829 4.069 271 1HD ARG 39 2HD ARG 39 8.081 3.220 5.723 272 2HD ARG 39 1HD ARG 39 7.352 1.881 6.604 273 HE ARG 39 HE ARG 39 10.094 2.819 6.830 274 1HH1 ARG 39 1HH2 ARG 39 7.818 0.258 7.319 275 2HH1 ARG 39 2HH2 ARG 39 8.744 -0.514 8.562 276 1HH2 ARG 39 1HH1 ARG 39 11.313 1.812 8.460 277 2HH2 ARG 39 2HH1 ARG 39 10.723 0.366 9.208 278 H ILE 40 H ILE 40 9.196 -0.087 1.369 279 HA ILE 40 HA ILE 40 9.790 -2.756 2.434 280 HB ILE 40 HB ILE 40 11.112 -1.363 0.102 281 1HG1 ILE 40 2HG1 ILE 40 8.697 -3.202 0.096 282 2HG1 ILE 40 1HG1 ILE 40 8.648 -1.467 -0.219 283 1HG2 ILE 40 1HG2 ILE 40 10.778 -4.284 0.852 284 2HG2 ILE 40 2HG2 ILE 40 12.258 -3.345 1.044 285 3HG2 ILE 40 3HG2 ILE 40 11.627 -3.675 -0.569 286 1HD1 ILE 40 1HD1 ILE 40 10.420 -1.972 -2.051 287 2HD1 ILE 40 2HD1 ILE 40 8.741 -2.401 -2.378 288 3HD1 ILE 40 3HD1 ILE 40 9.890 -3.646 -1.889 289 H VAL 41 H VAL 41 11.530 -3.187 3.664 290 HA VAL 41 HA VAL 41 13.632 -1.134 3.910 291 HB VAL 41 HB VAL 41 12.312 -2.566 6.229 292 1HG1 VAL 41 1HG1 VAL 41 14.606 -2.212 6.774 293 2HG1 VAL 41 2HG1 VAL 41 13.740 -0.865 7.512 294 3HG1 VAL 41 3HG1 VAL 41 14.621 -0.626 6.002 295 1HG2 VAL 41 1HG2 VAL 41 10.948 -0.743 5.168 296 2HG2 VAL 41 2HG2 VAL 41 12.283 0.372 5.466 297 3HG2 VAL 41 3HG2 VAL 41 11.436 -0.373 6.823 298 H ASN 42 H ASN 42 15.605 -1.966 3.684 299 HA ASN 42 HA ASN 42 15.930 -4.889 3.935 300 1HB ASN 42 2HB ASN 42 16.478 -3.640 1.751 301 2HB ASN 42 1HB ASN 42 17.881 -3.013 2.614 302 1HD2 ASN 42 1HD2 ASN 42 16.460 -6.278 2.996 303 2HD2 ASN 42 2HD2 ASN 42 17.829 -7.107 2.433 304 H LYS 43 H LYS 43 16.525 -5.319 5.989 305 HA LYS 43 HA LYS 43 17.879 -3.646 7.752 306 1HB LYS 43 2HB LYS 43 17.815 -6.668 7.610 307 2HB LYS 43 1HB LYS 43 18.462 -5.757 8.976 308 1HG LYS 43 2HG LYS 43 16.238 -4.590 9.156 309 2HG LYS 43 1HG LYS 43 15.619 -5.696 7.930 310 1HD LYS 43 2HD LYS 43 16.282 -7.614 9.392 311 2HD LYS 43 1HD LYS 43 16.750 -6.456 10.639 312 1HE LYS 43 2HE LYS 43 14.395 -5.524 10.511 313 2HE LYS 43 1HE LYS 43 13.984 -6.900 9.489 314 1HZ LYS 43 1HZ LYS 43 13.499 -7.269 11.860 315 2HZ LYS 43 2HZ LYS 43 15.154 -7.116 12.209 316 3HZ LYS 43 3HZ LYS 43 14.603 -8.395 11.236 317 H LYS 44 H LYS 44 19.127 -5.818 5.288 318 HA LYS 44 HA LYS 44 21.760 -6.127 5.966 319 1HB LYS 44 2HB LYS 44 20.606 -6.953 3.868 320 2HB LYS 44 1HB LYS 44 20.878 -5.350 3.183 321 1HG LYS 44 2HG LYS 44 23.230 -5.590 3.255 322 2HG LYS 44 1HG LYS 44 23.141 -6.947 4.378 323 1HD LYS 44 2HD LYS 44 23.661 -7.732 2.099 324 2HD LYS 44 1HD LYS 44 22.087 -8.331 2.624 325 1HE LYS 44 2HE LYS 44 22.165 -7.376 0.262 326 2HE LYS 44 1HE LYS 44 20.926 -6.697 1.317 327 1HZ LYS 44 1HZ LYS 44 22.763 -5.268 -0.059 328 2HZ LYS 44 2HZ LYS 44 23.458 -5.345 1.490 329 3HZ LYS 44 3HZ LYS 44 21.896 -4.705 1.286 330 H LYS 45 H LYS 45 20.671 -3.476 3.834 331 HA LYS 45 HA LYS 45 22.945 -1.869 4.796 332 1HB LYS 45 2HB LYS 45 21.160 -1.459 2.383 333 2HB LYS 45 1HB LYS 45 22.584 -0.501 2.795 334 1HG LYS 45 2HG LYS 45 22.672 -3.496 2.359 335 2HG LYS 45 1HG LYS 45 22.996 -2.323 1.082 336 1HD LYS 45 2HD LYS 45 24.703 -1.301 2.752 337 2HD LYS 45 1HD LYS 45 24.570 -2.843 3.598 338 1HE LYS 45 2HE LYS 45 25.289 -2.525 0.670 339 2HE LYS 45 1HE LYS 45 26.441 -2.847 1.965 340 1HZ LYS 45 1HZ LYS 45 24.448 -4.719 2.263 341 2HZ LYS 45 2HZ LYS 45 26.013 -4.985 1.661 342 3HZ LYS 45 3HZ LYS 45 24.734 -4.656 0.593 343 H LYS 46 H LYS 46 19.758 -2.316 5.481 344 HA LYS 46 HA LYS 46 18.145 -1.075 6.544 345 1HB LYS 46 2HB LYS 46 20.735 0.032 7.431 346 2HB LYS 46 1HB LYS 46 19.343 1.087 7.678 347 1HG LYS 46 2HG LYS 46 19.238 -1.822 8.466 348 2HG LYS 46 1HG LYS 46 19.922 -0.612 9.552 349 1HD LYS 46 2HD LYS 46 17.301 0.069 8.334 350 2HD LYS 46 1HD LYS 46 17.288 -1.237 9.519 351 1HE LYS 46 2HE LYS 46 18.689 1.375 10.080 352 2HE LYS 46 1HE LYS 46 16.970 1.166 10.409 353 1HZ LYS 46 1HZ LYS 46 17.472 0.091 12.260 354 2HZ LYS 46 2HZ LYS 46 19.126 0.349 11.973 355 3HZ LYS 46 3HZ LYS 46 18.371 -1.059 11.397 356 H GLN 47 H GLN 47 18.581 -0.536 3.761 357 HA GLN 47 HA GLN 47 18.186 2.369 3.545 358 1HB GLN 47 2HB GLN 47 18.514 2.090 1.177 359 2HB GLN 47 1HB GLN 47 19.783 1.184 2.003 360 1HG GLN 47 2HG GLN 47 18.138 -0.825 1.844 361 2HG GLN 47 1HG GLN 47 17.327 0.137 0.609 362 1HE2 GLN 47 1HE2 GLN 47 20.438 1.140 0.336 363 2HE2 GLN 47 2HE2 GLN 47 21.014 0.022 -0.804 364 H TRP 48 H TRP 48 16.216 3.213 3.360 365 HA TRP 48 HA TRP 48 13.909 1.460 3.219 366 1HB TRP 48 2HB TRP 48 14.250 4.437 3.575 367 2HB TRP 48 1HB TRP 48 12.667 3.681 3.400 368 HD1 TRP 48 HD TRP 48 15.220 1.599 5.177 369 HE1 TRP 48 1HE TRP 48 14.686 1.525 7.699 370 HE3 TRP 48 3HE TRP 48 11.623 5.217 5.426 371 HZ2 TRP 48 2HZ TRP 48 12.961 2.828 9.573 372 HZ3 TRP 48 3HZ TRP 48 10.552 5.778 7.589 373 HH2 TRP 48 HH TRP 48 11.215 4.590 9.661 374 H ALA 49 H ALA 49 12.383 1.395 1.593 375 HA ALA 49 HA ALA 49 12.813 3.010 -0.816 376 1HB ALA 49 1HB ALA 49 12.546 0.871 -2.193 377 2HB ALA 49 2HB ALA 49 12.930 -0.004 -0.710 378 3HB ALA 49 3HB ALA 49 14.107 1.110 -1.406 379 H TYR 50 H TYR 50 10.971 3.110 -2.189 380 HA TYR 50 HA TYR 50 8.492 2.009 -1.018 381 1HB TYR 50 2HB TYR 50 8.982 4.814 -2.033 382 2HB TYR 50 1HB TYR 50 7.375 4.153 -1.728 383 HD1 TYR 50 1HD TYR 50 10.198 5.788 -0.276 384 HD2 TYR 50 2HD TYR 50 6.958 3.114 0.622 385 HE1 TYR 50 1HE TYR 50 10.438 6.308 2.136 386 HE2 TYR 50 2HE TYR 50 7.198 3.635 3.035 387 HH TYR 50 HH TYR 50 8.167 5.740 4.372 388 H TYR 51 H TYR 51 7.034 1.192 -2.438 389 HA TYR 51 HA TYR 51 7.631 1.487 -5.321 390 1HB TYR 51 2HB TYR 51 8.221 -0.736 -4.925 391 2HB TYR 51 1HB TYR 51 6.962 -0.958 -3.709 392 HD1 TYR 51 1HD TYR 51 4.745 -1.617 -4.315 393 HD2 TYR 51 2HD TYR 51 7.595 -0.561 -7.349 394 HE1 TYR 51 1HE TYR 51 3.212 -2.490 -6.058 395 HE2 TYR 51 2HE TYR 51 6.063 -1.435 -9.093 396 HH TYR 51 HH TYR 51 3.231 -3.269 -8.297 397 H ASN 52 H ASN 52 6.062 2.653 -6.226 398 HA ASN 52 HA ASN 52 3.434 2.845 -5.043 399 1HB ASN 52 2HB ASN 52 4.496 4.798 -6.098 400 2HB ASN 52 1HB ASN 52 4.498 3.958 -7.648 401 1HD2 ASN 52 1HD2 ASN 52 3.110 6.363 -7.540 402 2HD2 ASN 52 2HD2 ASN 52 1.437 6.074 -7.561 403 H ASP 53 H ASP 53 1.602 1.845 -5.666 404 HA ASP 53 HA ASP 53 1.810 -0.077 -7.901 405 1HB ASP 53 2HB ASP 53 0.104 -1.382 -6.785 406 2HB ASP 53 1HB ASP 53 1.394 -1.036 -5.635 407 H THR 54 H THR 54 -0.331 2.283 -6.341 408 HA THR 54 HA THR 54 -2.501 2.116 -8.100 409 HB THR 54 HB THR 54 -2.889 4.541 -7.406 410 HG1 THR 54 1HG THR 54 -0.336 4.217 -6.693 411 1HG2 THR 54 1HG2 THR 54 -3.191 3.856 -4.961 412 2HG2 THR 54 2HG2 THR 54 -2.464 2.313 -5.410 413 3HG2 THR 54 3HG2 THR 54 -3.976 2.826 -6.159 414 H THR 55 H THR 55 -2.790 2.704 -10.157 415 HA THR 55 HA THR 55 -0.625 4.166 -11.506 416 HB THR 55 HB THR 55 -1.683 3.350 -13.587 417 HG1 THR 55 1HG THR 55 -3.705 2.866 -13.384 418 1HG2 THR 55 1HG2 THR 55 0.023 1.994 -12.362 419 2HG2 THR 55 2HG2 THR 55 -1.104 1.007 -13.292 420 3HG2 THR 55 3HG2 THR 55 -1.289 1.147 -11.544 421 H GLN 56 H GLN 56 -3.141 5.116 -9.846 422 HA GLN 56 HA GLN 56 -3.995 7.148 -11.823 423 1HB GLN 56 2HB GLN 56 -5.904 5.818 -11.282 424 2HB GLN 56 1HB GLN 56 -5.527 5.860 -9.560 425 1HG GLN 56 2HG GLN 56 -6.040 8.193 -9.409 426 2HG GLN 56 1HG GLN 56 -6.107 8.357 -11.163 427 1HE2 GLN 56 1HE2 GLN 56 -7.519 5.420 -10.573 428 2HE2 GLN 56 2HE2 GLN 56 -9.140 5.907 -10.436 429 H TYR 57 H TYR 57 -3.034 6.494 -8.499 430 HA TYR 57 HA TYR 57 -2.758 9.408 -8.064 431 1HB TYR 57 2HB TYR 57 -2.974 7.340 -5.879 432 2HB TYR 57 1HB TYR 57 -3.197 9.086 -5.760 433 HD1 TYR 57 1HD TYR 57 -4.629 5.992 -7.277 434 HD2 TYR 57 2HD TYR 57 -5.317 10.076 -6.135 435 HE1 TYR 57 1HE TYR 57 -7.048 5.717 -7.748 436 HE2 TYR 57 2HE TYR 57 -7.736 9.800 -6.608 437 HH TYR 57 HH TYR 57 -9.094 8.062 -8.281 438 H GLU 58 H GLU 58 -0.848 10.191 -7.222 439 HA GLU 58 HA GLU 58 1.454 8.391 -7.407 440 1HB GLU 58 2HB GLU 58 2.545 10.789 -6.833 441 2HB GLU 58 1HB GLU 58 2.115 10.298 -8.472 442 1HG GLU 58 2HG GLU 58 -0.052 11.406 -8.276 443 2HG GLU 58 1HG GLU 58 0.284 11.821 -6.596 444 H MET 59 H MET 59 2.885 8.014 -5.722 445 HA MET 59 HA MET 59 1.736 8.384 -3.052 446 1HB MET 59 2HB MET 59 3.812 6.573 -4.237 447 2HB MET 59 1HB MET 59 3.798 6.861 -2.496 448 1HG MET 59 2HG MET 59 2.409 4.868 -3.396 449 2HG MET 59 1HG MET 59 1.634 5.953 -2.242 450 1HE MET 59 1HE MET 59 -0.883 6.241 -2.709 451 2HE MET 59 2HE MET 59 -0.375 4.606 -3.124 452 3HE MET 59 3HE MET 59 -1.491 5.468 -4.179 453 H HIS 60 H HIS 60 2.356 10.044 -1.845 454 HA HIS 60 HA HIS 60 5.020 11.232 -2.314 455 1HB HIS 60 2HB HIS 60 2.553 12.411 -1.012 456 2HB HIS 60 1HB HIS 60 4.102 13.238 -1.188 457 HD1 HIS 60 1HD HIS 60 4.479 14.455 -3.346 458 HD2 HIS 60 2HD HIS 60 1.385 11.678 -3.655 459 HE1 HIS 60 1HE HIS 60 3.460 14.771 -5.643 460 HE2 HIS 60 2HE HIS 60 1.572 13.085 -5.846 461 H VAL 61 H VAL 61 6.539 10.807 -0.850 462 HA VAL 61 HA VAL 61 5.710 9.801 1.791 463 HB VAL 61 HB VAL 61 8.328 9.599 0.289 464 1HG1 VAL 61 1HG1 VAL 61 7.540 8.798 3.095 465 2HG1 VAL 61 2HG1 VAL 61 8.927 9.761 2.589 466 3HG1 VAL 61 3HG1 VAL 61 8.882 8.032 2.245 467 1HG2 VAL 61 1HG2 VAL 61 7.791 7.224 0.206 468 2HG2 VAL 61 2HG2 VAL 61 6.428 8.134 -0.448 469 3HG2 VAL 61 3HG2 VAL 61 6.349 7.481 1.189 470 H LEU 62 H LEU 62 6.137 10.886 3.619 471 HA LEU 62 HA LEU 62 8.108 13.062 3.591 472 1HB LEU 62 2HB LEU 62 5.916 14.100 3.083 473 2HB LEU 62 1HB LEU 62 5.265 13.414 4.572 474 HG LEU 62 HG LEU 62 7.138 14.612 5.807 475 1HD1 LEU 62 1HD1 LEU 62 7.501 15.685 3.017 476 2HD1 LEU 62 2HD1 LEU 62 8.727 15.138 4.161 477 3HD1 LEU 62 3HD1 LEU 62 7.913 16.683 4.412 478 1HD2 LEU 62 1HD2 LEU 62 5.954 16.751 5.803 479 2HD2 LEU 62 2HD2 LEU 62 4.781 15.439 5.693 480 3HD2 LEU 62 3HD2 LEU 62 5.205 16.365 4.254 481 H VAL 63 H VAL 63 9.414 11.815 4.942 482 HA VAL 63 HA VAL 63 8.287 11.179 7.601 483 HB VAL 63 HB VAL 63 10.717 9.998 6.235 484 1HG1 VAL 63 1HG1 VAL 63 9.287 9.332 8.826 485 2HG1 VAL 63 2HG1 VAL 63 10.920 9.982 8.667 486 3HG1 VAL 63 3HG1 VAL 63 10.561 8.348 8.105 487 1HG2 VAL 63 1HG2 VAL 63 8.316 9.480 5.352 488 2HG2 VAL 63 2HG2 VAL 63 8.136 8.570 6.852 489 3HG2 VAL 63 3HG2 VAL 63 9.394 8.128 5.698 490 H THR 64 H THR 64 9.068 12.202 9.336 491 HA THR 64 HA THR 64 11.449 13.916 8.977 492 HB THR 64 HB THR 64 9.206 14.149 10.998 493 HG1 THR 64 1HG THR 64 8.296 14.964 9.281 494 1HG2 THR 64 1HG2 THR 64 11.696 15.760 10.438 495 2HG2 THR 64 2HG2 THR 64 11.153 15.086 11.974 496 3HG2 THR 64 3HG2 THR 64 10.303 16.458 11.264 497 H PHE 65 H PHE 65 13.192 13.654 10.275 498 HA PHE 65 HA PHE 65 12.993 11.602 12.398 499 1HB PHE 65 2HB PHE 65 15.575 12.220 11.011 500 2HB PHE 65 1HB PHE 65 15.057 10.728 11.796 501 HD1 PHE 65 1HD PHE 65 13.902 9.030 10.590 502 HD2 PHE 65 2HD PHE 65 14.512 12.895 8.818 503 HE1 PHE 65 1HE PHE 65 13.104 8.157 8.410 504 HE2 PHE 65 2HE PHE 65 13.714 12.021 6.639 505 HZ PHE 65 HZ PHE 65 13.010 9.652 6.434 506 H ASN 66 H ASN 66 14.534 11.853 14.175 507 HA ASN 66 HA ASN 66 14.661 14.616 15.043 508 1HB ASN 66 2HB ASN 66 14.051 12.634 16.521 509 2HB ASN 66 1HB ASN 66 15.760 12.202 16.483 510 1HD2 ASN 66 1HD2 ASN 66 16.824 12.982 18.300 511 2HD2 ASN 66 2HD2 ASN 66 16.483 14.454 19.073 512 H GLU 67 H GLU 67 16.599 15.648 15.784 513 HA GLU 67 HA GLU 67 18.701 15.719 14.011 514 1HB GLU 67 2HB GLU 67 18.572 17.506 15.534 515 2HB GLU 67 1HB GLU 67 18.529 16.430 16.931 516 1HG GLU 67 2HG GLU 67 20.824 15.923 16.764 517 2HG GLU 67 1HG GLU 67 20.918 16.481 15.095 518 H ASP 68 H ASP 68 18.425 13.779 16.970 519 HA ASP 68 HA ASP 68 21.028 12.581 16.635 520 1HB ASP 68 2HB ASP 68 18.705 11.920 18.456 521 2HB ASP 68 1HB ASP 68 20.265 11.103 18.508 522 H CYS 69 H CYS 69 20.429 11.991 14.317 523 HA CYS 69 HA CYS 69 19.716 9.171 14.289 524 1HB CYS 69 2HB CYS 69 18.208 11.107 12.523 525 2HB CYS 69 1HB CYS 69 17.966 9.365 12.649 526 HG CYS 69 HG CYS 69 16.463 9.784 14.563 527 H ASP 70 H ASP 70 21.341 8.284 13.198 528 HA ASP 70 HA ASP 70 22.916 9.805 11.314 529 1HB ASP 70 2HB ASP 70 23.013 7.001 12.391 530 2HB ASP 70 1HB ASP 70 24.002 7.462 11.008 531 H ILE 71 H ILE 71 21.184 10.282 9.793 532 HA ILE 71 HA ILE 71 20.716 8.030 7.933 533 HB ILE 71 HB ILE 71 18.506 8.981 7.431 534 1HG1 ILE 71 2HG1 ILE 71 19.143 10.907 9.690 535 2HG1 ILE 71 1HG1 ILE 71 19.078 11.338 7.980 536 1HG2 ILE 71 1HG2 ILE 71 17.414 8.217 9.404 537 2HG2 ILE 71 2HG2 ILE 71 18.767 8.696 10.430 538 3HG2 ILE 71 3HG2 ILE 71 18.931 7.318 9.342 539 1HD1 ILE 71 1HD1 ILE 71 16.939 11.921 8.828 540 2HD1 ILE 71 2HD1 ILE 71 16.815 10.430 9.761 541 3HD1 ILE 71 3HD1 ILE 71 16.691 10.382 8.002 542 H LYS 72 H LYS 72 20.340 8.706 5.694 543 HA LYS 72 HA LYS 72 21.321 11.390 5.015 544 1HB LYS 72 2HB LYS 72 22.837 10.404 3.296 545 2HB LYS 72 1HB LYS 72 23.324 10.026 4.948 546 1HG LYS 72 2HG LYS 72 23.092 7.817 4.579 547 2HG LYS 72 1HG LYS 72 21.455 8.044 3.965 548 1HD LYS 72 2HD LYS 72 22.718 7.107 2.159 549 2HD LYS 72 1HD LYS 72 22.512 8.818 1.781 550 1HE LYS 72 2HE LYS 72 24.851 8.049 1.412 551 2HE LYS 72 1HE LYS 72 24.749 9.310 2.640 552 1HZ LYS 72 1HZ LYS 72 25.472 7.927 4.206 553 2HZ LYS 72 2HZ LYS 72 25.936 6.886 2.945 554 3HZ LYS 72 3HZ LYS 72 24.438 6.674 3.717 555 H ALA 73 H ALA 73 21.448 11.194 2.319 556 HA ALA 73 HA ALA 73 18.686 10.433 1.584 557 1HB ALA 73 1HB ALA 73 20.136 12.301 -0.176 558 2HB ALA 73 2HB ALA 73 19.808 12.917 1.443 559 3HB ALA 73 3HB ALA 73 18.478 12.369 0.422 560 H LEU 74 H LEU 74 18.330 9.232 -0.245 561 HA LEU 74 HA LEU 74 20.724 7.995 -1.436 562 1HB LEU 74 2HB LEU 74 17.838 7.083 -1.382 563 2HB LEU 74 1HB LEU 74 19.157 6.215 -2.169 564 HG LEU 74 HG LEU 74 19.151 6.955 0.768 565 1HD1 LEU 74 1HD1 LEU 74 18.424 4.753 1.271 566 2HD1 LEU 74 2HD1 LEU 74 18.684 4.202 -0.385 567 3HD1 LEU 74 3HD1 LEU 74 17.345 5.292 -0.017 568 1HD2 LEU 74 1HD2 LEU 74 20.861 4.920 0.573 569 2HD2 LEU 74 2HD2 LEU 74 21.377 6.574 0.241 570 3HD2 LEU 74 3HD2 LEU 74 20.983 5.489 -1.092 571 H GLY 75 H GLY 75 17.677 7.760 -3.034 572 1HA GLY 75 2HA GLY 75 18.656 8.585 -5.528 573 2HA GLY 75 1HA GLY 75 16.951 8.457 -5.104 574 H LYS 76 H LYS 76 16.186 10.312 -6.024 575 HA LYS 76 HA LYS 76 17.527 12.834 -5.839 576 1HB LYS 76 2HB LYS 76 15.574 13.745 -6.915 577 2HB LYS 76 1HB LYS 76 15.922 12.185 -7.662 578 1HG LYS 76 2HG LYS 76 14.260 11.141 -6.083 579 2HG LYS 76 1HG LYS 76 13.825 12.767 -5.553 580 1HD LYS 76 2HD LYS 76 13.821 12.147 -8.488 581 2HD LYS 76 1HD LYS 76 12.467 11.604 -7.497 582 1HE LYS 76 2HE LYS 76 11.808 13.773 -6.965 583 2HE LYS 76 1HE LYS 76 13.417 14.439 -7.241 584 1HZ LYS 76 1HZ LYS 76 12.250 15.124 -9.091 585 2HZ LYS 76 2HZ LYS 76 11.361 13.680 -9.211 586 3HZ LYS 76 3HZ LYS 76 13.001 13.713 -9.658 587 H THR 77 H THR 77 15.861 11.040 -3.582 588 HA THR 77 HA THR 77 14.150 12.682 -2.223 589 HB THR 77 HB THR 77 16.267 10.898 -0.994 590 HG1 THR 77 1HG THR 77 14.938 9.778 -2.399 591 1HG2 THR 77 1HG2 THR 77 15.364 12.319 0.715 592 2HG2 THR 77 2HG2 THR 77 14.538 10.767 0.859 593 3HG2 THR 77 3HG2 THR 77 13.726 12.130 0.090 594 H LYS 78 H LYS 78 14.340 14.732 -1.611 595 HA LYS 78 HA LYS 78 16.927 15.966 -1.233 596 1HB LYS 78 2HB LYS 78 14.980 17.134 -2.295 597 2HB LYS 78 1HB LYS 78 14.186 17.137 -0.719 598 1HG LYS 78 2HG LYS 78 16.114 18.373 0.235 599 2HG LYS 78 1HG LYS 78 16.862 18.411 -1.361 600 1HD LYS 78 2HD LYS 78 14.788 19.574 -2.212 601 2HD LYS 78 1HD LYS 78 14.247 19.698 -0.537 602 1HE LYS 78 2HE LYS 78 16.799 20.860 -1.692 603 2HE LYS 78 1HE LYS 78 15.380 21.766 -1.165 604 1HZ LYS 78 1HZ LYS 78 17.213 21.669 0.487 605 2HZ LYS 78 2HZ LYS 78 16.958 19.994 0.615 606 3HZ LYS 78 3HZ LYS 78 15.731 21.079 1.067 607 H LEU 79 H LEU 79 18.012 16.025 0.619 608 HA LEU 79 HA LEU 79 16.517 15.603 3.137 609 1HB LEU 79 2HB LEU 79 18.051 13.774 2.702 610 2HB LEU 79 1HB LEU 79 19.377 14.907 2.432 611 HG LEU 79 HG LEU 79 19.247 15.673 4.745 612 1HD1 LEU 79 1HD1 LEU 79 16.994 15.577 5.361 613 2HD1 LEU 79 2HD1 LEU 79 17.668 14.209 6.246 614 3HD1 LEU 79 3HD1 LEU 79 16.791 13.939 4.739 615 1HD2 LEU 79 1HD2 LEU 79 19.695 13.419 5.892 616 2HD2 LEU 79 2HD2 LEU 79 20.688 13.789 4.482 617 3HD2 LEU 79 3HD2 LEU 79 19.328 12.676 4.335 618 H GLU 80 H GLU 80 16.564 17.179 4.614 619 HA GLU 80 HA GLU 80 18.789 19.059 4.720 620 1HB GLU 80 2HB GLU 80 17.247 21.023 4.623 621 2HB GLU 80 1HB GLU 80 17.365 20.152 3.095 622 1HG GLU 80 2HG GLU 80 15.289 18.913 3.666 623 2HG GLU 80 1HG GLU 80 15.156 19.855 5.149 624 H GLN 81 H GLN 81 18.847 20.273 6.674 625 HA GLN 81 HA GLN 81 17.189 19.088 8.812 626 1HB GLN 81 2HB GLN 81 19.687 18.777 8.928 627 2HB GLN 81 1HB GLN 81 19.832 20.525 9.114 628 1HG GLN 81 2HG GLN 81 18.424 20.446 11.127 629 2HG GLN 81 1HG GLN 81 18.236 18.703 10.937 630 1HE2 GLN 81 1HE2 GLN 81 19.340 19.487 13.327 631 2HE2 GLN 81 2HE2 GLN 81 21.010 19.187 13.349 632 H GLN 82 H GLN 82 16.347 20.445 10.449 633 HA GLN 82 HA GLN 82 15.911 23.218 9.547 634 1HB GLN 82 2HB GLN 82 14.334 21.977 11.761 635 2HB GLN 82 1HB GLN 82 13.830 23.151 10.544 636 1HG GLN 82 2HG GLN 82 14.345 20.196 10.117 637 2HG GLN 82 1HG GLN 82 12.792 21.027 10.017 638 1HE2 GLN 82 1HE2 GLN 82 14.958 19.666 8.012 639 2HE2 GLN 82 2HE2 GLN 82 14.856 20.714 6.680 640 H GLU 83 H GLU 83 15.600 24.817 11.378 641 HA GLU 83 HA GLU 83 17.975 24.958 12.919 642 1HB GLU 83 2HB GLU 83 15.398 26.515 13.241 643 2HB GLU 83 1HB GLU 83 16.965 26.955 13.919 644 1HG GLU 83 2HG GLU 83 17.903 27.056 11.617 645 2HG GLU 83 1HG GLU 83 16.301 26.704 10.972 646 H ASN 84 H ASN 84 14.678 23.949 13.655 647 HA ASN 84 HA ASN 84 14.866 23.828 16.453 648 1HB ASN 84 2HB ASN 84 13.056 22.075 16.238 649 2HB ASN 84 1HB ASN 84 12.716 23.605 15.430 650 1HD2 ASN 84 1HD2 ASN 84 14.586 20.647 14.508 651 2HD2 ASN 84 2HD2 ASN 84 13.829 20.473 12.998 652 H GLY 85 H GLY 85 16.153 21.762 13.974 653 1HA GLY 85 2HA GLY 85 18.021 20.328 14.428 654 2HA GLY 85 1HA GLY 85 17.409 20.106 16.064 655 H GLU 86 H GLU 86 16.014 19.741 12.796 656 HA GLU 86 HA GLU 86 15.518 16.901 13.366 657 1HB GLU 86 2HB GLU 86 13.408 18.889 12.494 658 2HB GLU 86 1HB GLU 86 13.197 17.138 12.473 659 1HG GLU 86 2HG GLU 86 13.656 17.062 14.905 660 2HG GLU 86 1HG GLU 86 13.818 18.818 14.918 661 H TRP 87 H TRP 87 15.331 15.599 11.517 662 HA TRP 87 HA TRP 87 16.379 16.855 9.066 663 1HB TRP 87 2HB TRP 87 16.370 13.991 10.036 664 2HB TRP 87 1HB TRP 87 16.886 14.467 8.417 665 HD1 TRP 87 HD TRP 87 17.952 14.518 12.043 666 HE1 TRP 87 1HE TRP 87 20.373 15.389 12.209 667 HE3 TRP 87 3HE TRP 87 18.653 16.100 7.238 668 HZ2 TRP 87 2HZ TRP 87 22.345 16.600 10.528 669 HZ3 TRP 87 3HZ TRP 87 20.808 17.114 6.550 670 HH2 TRP 87 HH TRP 87 22.653 17.363 8.186 671 H VAL 88 H VAL 88 15.289 16.775 7.161 672 HA VAL 88 HA VAL 88 12.677 15.384 7.158 673 HB VAL 88 HB VAL 88 13.369 18.088 5.989 674 1HG1 VAL 88 1HG1 VAL 88 10.939 16.308 5.710 675 2HG1 VAL 88 2HG1 VAL 88 11.904 17.036 4.426 676 3HG1 VAL 88 3HG1 VAL 88 10.868 18.048 5.432 677 1HG2 VAL 88 1HG2 VAL 88 12.903 17.940 8.464 678 2HG2 VAL 88 2HG2 VAL 88 11.312 17.291 8.070 679 3HG2 VAL 88 3HG2 VAL 88 11.742 18.928 7.578 680 H ALA 89 H ALA 89 12.215 14.160 5.407 681 HA ALA 89 HA ALA 89 13.890 14.408 3.005 682 1HB ALA 89 1HB ALA 89 13.374 11.735 4.314 683 2HB ALA 89 2HB ALA 89 14.855 12.658 4.566 684 3HB ALA 89 3HB ALA 89 14.439 12.084 2.952 685 H SER 90 H SER 90 12.350 14.915 1.557 686 HA SER 90 HA SER 90 9.917 13.232 1.487 687 1HB SER 90 2HB SER 90 8.691 15.102 0.642 688 2HB SER 90 1HB SER 90 9.592 15.682 2.040 689 HG SER 90 HG SER 90 9.675 16.571 -0.448 690 H VAL 91 H VAL 91 9.213 12.460 -0.495 691 HA VAL 91 HA VAL 91 10.518 13.187 -2.959 692 HB VAL 91 HB VAL 91 12.143 11.600 -1.810 693 1HG1 VAL 91 1HG1 VAL 91 11.575 9.285 -1.652 694 2HG1 VAL 91 2HG1 VAL 91 10.081 9.517 -2.560 695 3HG1 VAL 91 3HG1 VAL 91 10.227 10.156 -0.923 696 1HG2 VAL 91 1HG2 VAL 91 12.034 12.012 -4.285 697 2HG2 VAL 91 2HG2 VAL 91 10.936 10.639 -4.423 698 3HG2 VAL 91 3HG2 VAL 91 12.594 10.392 -3.873 699 H VAL 92 H VAL 92 9.393 12.464 -4.763 700 HA VAL 92 HA VAL 92 6.802 11.182 -4.163 701 HB VAL 92 HB VAL 92 7.560 12.785 -6.614 702 1HG1 VAL 92 1HG1 VAL 92 5.112 12.914 -6.899 703 2HG1 VAL 92 2HG1 VAL 92 4.889 11.940 -5.445 704 3HG1 VAL 92 3HG1 VAL 92 5.652 11.235 -6.871 705 1HG2 VAL 92 1HG2 VAL 92 6.184 14.584 -5.492 706 2HG2 VAL 92 2HG2 VAL 92 7.725 14.254 -4.699 707 3HG2 VAL 92 3HG2 VAL 92 6.227 13.616 -4.019 708 H VAL 93 H VAL 93 6.232 9.305 -5.118 709 HA VAL 93 HA VAL 93 8.148 8.132 -7.046 710 HB VAL 93 HB VAL 93 6.356 6.663 -5.098 711 1HG1 VAL 93 1HG1 VAL 93 6.905 5.390 -7.125 712 2HG1 VAL 93 2HG1 VAL 93 7.781 4.734 -5.741 713 3HG1 VAL 93 3HG1 VAL 93 8.617 5.758 -6.908 714 1HG2 VAL 93 1HG2 VAL 93 9.327 7.281 -4.998 715 2HG2 VAL 93 2HG2 VAL 93 8.488 6.187 -3.898 716 3HG2 VAL 93 3HG2 VAL 93 8.097 7.907 -3.901 717 H TYR 94 H TYR 94 7.380 7.612 -8.996 718 HA TYR 94 HA TYR 94 4.521 7.953 -9.511 719 1HB TYR 94 2HB TYR 94 6.869 7.542 -11.378 720 2HB TYR 94 1HB TYR 94 5.202 7.791 -11.899 721 HD1 TYR 94 1HD TYR 94 4.009 9.885 -10.698 722 HD2 TYR 94 2HD TYR 94 8.242 9.417 -11.262 723 HE1 TYR 94 1HE TYR 94 4.310 12.338 -10.484 724 HE2 TYR 94 2HE TYR 94 8.541 11.870 -11.052 725 HH TYR 94 HH TYR 94 6.729 13.833 -9.708 726 HA PRO 95 HA PRO 95 3.475 3.705 -9.709 727 1HB PRO 95 2HB PRO 95 2.071 4.216 -12.268 728 2HB PRO 95 1HB PRO 95 1.424 3.641 -10.720 729 1HG PRO 95 2HG PRO 95 0.932 6.102 -11.598 730 2HG PRO 95 1HG PRO 95 1.184 5.763 -9.878 731 1HD PRO 95 2HD PRO 95 3.080 7.004 -11.852 732 2HD PRO 95 1HD PRO 95 2.797 7.421 -10.147 733 H CYS 96 H CYS 96 3.882 1.728 -10.834 734 HA CYS 96 HA CYS 96 5.120 0.309 -12.148 735 1HB CYS 96 2HB CYS 96 3.709 1.508 -13.913 736 2HB CYS 96 1HB CYS 96 5.138 2.493 -14.228 737 HG CYS 96 HG CYS 96 4.878 -0.537 -14.843 738 H GLU 97 H GLU 97 6.305 2.879 -10.699 739 HA GLU 97 HA GLU 97 9.055 2.362 -11.640 740 1HB GLU 97 2HB GLU 97 7.757 5.036 -11.111 741 2HB GLU 97 1HB GLU 97 9.507 4.817 -11.155 742 1HG GLU 97 2HG GLU 97 7.674 3.967 -13.408 743 2HG GLU 97 1HG GLU 97 8.472 5.537 -13.353 744 H THR 98 H THR 98 10.661 2.475 -10.052 745 HA THR 98 HA THR 98 9.703 2.758 -7.270 746 HB THR 98 HB THR 98 11.781 0.738 -8.106 747 HG1 THR 98 1HG THR 98 10.198 -0.353 -8.914 748 1HG2 THR 98 1HG2 THR 98 11.086 -0.280 -5.934 749 2HG2 THR 98 2HG2 THR 98 10.016 1.096 -5.670 750 3HG2 THR 98 3HG2 THR 98 11.761 1.338 -5.748 751 H GLU 99 H GLU 99 11.019 3.870 -5.907 752 HA GLU 99 HA GLU 99 13.700 4.629 -6.877 753 1HB GLU 99 2HB GLU 99 11.664 6.534 -5.697 754 2HB GLU 99 1HB GLU 99 13.318 6.941 -6.152 755 1HG GLU 99 2HG GLU 99 11.230 5.857 -8.063 756 2HG GLU 99 1HG GLU 99 11.653 7.561 -7.908 757 H MET 100 H MET 100 15.159 5.306 -5.198 758 HA MET 100 HA MET 100 14.727 3.856 -2.721 759 1HB MET 100 2HB MET 100 17.068 5.442 -3.794 760 2HB MET 100 1HB MET 100 17.069 4.640 -2.222 761 1HG MET 100 2HG MET 100 16.313 2.538 -3.607 762 2HG MET 100 1HG MET 100 17.006 3.422 -4.967 763 1HE MET 100 1HE MET 100 17.368 2.547 -1.389 764 2HE MET 100 2HE MET 100 19.037 2.049 -1.125 765 3HE MET 100 3HE MET 100 17.934 0.986 -1.996 766 H PHE 101 H PHE 101 14.934 4.804 -0.623 767 HA PHE 101 HA PHE 101 14.005 7.609 -0.557 768 1HB PHE 101 2HB PHE 101 12.423 5.928 0.353 769 2HB PHE 101 1HB PHE 101 13.645 5.442 1.528 770 HD1 PHE 101 1HD PHE 101 12.753 6.152 3.602 771 HD2 PHE 101 2HD PHE 101 12.810 8.857 0.266 772 HE1 PHE 101 1HE PHE 101 11.990 7.993 5.080 773 HE2 PHE 101 2HE PHE 101 12.059 10.699 1.745 774 HZ PHE 101 HZ PHE 101 11.642 10.266 4.151 775 H ILE 102 H ILE 102 14.985 6.053 2.351 776 HA ILE 102 HA ILE 102 17.586 7.447 2.308 777 HB ILE 102 HB ILE 102 17.228 8.322 4.523 778 1HG1 ILE 102 2HG1 ILE 102 14.788 7.983 5.444 779 2HG1 ILE 102 1HG1 ILE 102 14.795 6.557 4.405 780 1HG2 ILE 102 1HG2 ILE 102 16.332 9.703 2.728 781 2HG2 ILE 102 2HG2 ILE 102 15.241 9.789 4.110 782 3HG2 ILE 102 3HG2 ILE 102 14.829 8.780 2.724 783 1HD1 ILE 102 1HD1 ILE 102 17.267 6.780 5.928 784 2HD1 ILE 102 2HD1 ILE 102 16.140 5.429 5.822 785 3HD1 ILE 102 3HD1 ILE 102 15.857 6.723 6.985 786 H GLU 103 H GLU 103 19.087 6.652 3.965 787 HA GLU 103 HA GLU 103 18.462 3.956 4.974 788 1HB GLU 103 2HB GLU 103 20.521 3.047 4.167 789 2HB GLU 103 1HB GLU 103 19.754 3.847 2.796 790 1HG GLU 103 2HG GLU 103 21.134 5.880 3.270 791 2HG GLU 103 1HG GLU 103 21.968 4.973 4.533 792 H GLY 104 H GLY 104 20.587 3.254 6.309 793 1HA GLY 104 2HA GLY 104 22.274 3.960 7.858 794 2HA GLY 104 1HA GLY 104 21.513 5.548 7.911 795 H ARG 105 H ARG 105 21.543 5.364 10.237 796 HA ARG 105 HA ARG 105 19.750 3.358 11.408 797 1HB ARG 105 2HB ARG 105 21.984 3.790 12.438 798 2HB ARG 105 1HB ARG 105 21.458 5.436 12.796 799 1HG ARG 105 2HG ARG 105 19.554 4.518 14.105 800 2HG ARG 105 1HG ARG 105 20.155 2.888 13.800 801 1HD ARG 105 2HD ARG 105 21.673 5.086 15.233 802 2HD ARG 105 1HD ARG 105 20.899 3.705 16.005 803 HE ARG 105 HE ARG 105 22.813 2.968 13.966 804 1HH1 ARG 105 1HH2 ARG 105 22.302 3.844 17.274 805 2HH1 ARG 105 2HH2 ARG 105 23.718 3.032 17.852 806 1HH2 ARG 105 1HH1 ARG 105 24.670 1.897 14.717 807 2HH2 ARG 105 2HH1 ARG 105 25.059 1.930 16.405 808 H VAL 106 H VAL 106 17.784 3.832 12.239 809 HA VAL 106 HA VAL 106 16.889 6.642 12.028 810 HB VAL 106 HB VAL 106 15.081 4.234 12.137 811 1HG1 VAL 106 1HG1 VAL 106 14.648 6.879 10.754 812 2HG1 VAL 106 2HG1 VAL 106 14.327 6.692 12.478 813 3HG1 VAL 106 3HG1 VAL 106 13.443 5.716 11.306 814 1HG2 VAL 106 1HG2 VAL 106 16.328 5.542 9.698 815 2HG2 VAL 106 2HG2 VAL 106 15.036 4.343 9.653 816 3HG2 VAL 106 3HG2 VAL 106 16.631 3.899 10.260 817 H ASN 107 H ASN 107 16.282 7.686 13.814 818 HA ASN 107 HA ASN 107 15.580 6.129 16.218 819 1HB ASN 107 2HB ASN 107 17.800 6.715 16.724 820 2HB ASN 107 1HB ASN 107 17.651 8.298 15.964 821 1HD2 ASN 107 1HD2 ASN 107 17.976 9.706 17.731 822 2HD2 ASN 107 2HD2 ASN 107 17.051 9.665 19.154 823 H GLY 108 H GLY 108 13.635 6.732 16.912 824 1HA GLY 108 2HA GLY 108 11.680 7.956 17.098 825 2HA GLY 108 1HA GLY 108 12.776 9.228 17.631 826 H PHE 109 H PHE 109 10.801 8.049 15.046 827 HA PHE 109 HA PHE 109 11.229 10.580 13.606 828 1HB PHE 109 2HB PHE 109 11.352 9.431 11.464 829 2HB PHE 109 1HB PHE 109 12.630 8.833 12.524 830 HD1 PHE 109 1HD PHE 109 9.576 8.001 10.720 831 HD2 PHE 109 2HD PHE 109 12.353 6.638 13.701 832 HE1 PHE 109 1HE PHE 109 8.690 5.697 10.492 833 HE2 PHE 109 2HE PHE 109 11.467 4.334 13.471 834 HZ PHE 109 HZ PHE 109 9.634 3.863 11.868 835 H LYS 110 H LYS 110 9.505 10.990 11.996 836 HA LYS 110 HA LYS 110 6.965 9.650 12.697 837 1HB LYS 110 2HB LYS 110 7.046 11.856 13.773 838 2HB LYS 110 1HB LYS 110 7.390 12.610 12.216 839 1HG LYS 110 2HG LYS 110 5.246 11.962 11.338 840 2HG LYS 110 1HG LYS 110 4.919 10.938 12.737 841 1HD LYS 110 2HD LYS 110 3.714 13.088 12.912 842 2HD LYS 110 1HD LYS 110 4.912 12.926 14.197 843 1HE LYS 110 2HE LYS 110 4.806 15.174 12.889 844 2HE LYS 110 1HE LYS 110 6.387 14.454 13.190 845 1HZ LYS 110 1HZ LYS 110 4.826 13.972 10.716 846 2HZ LYS 110 2HZ LYS 110 6.452 13.576 11.011 847 3HZ LYS 110 3HZ LYS 110 5.986 15.203 10.856 848 H SER 111 H SER 111 5.895 8.869 10.996 849 HA SER 111 HA SER 111 6.806 9.659 8.307 850 1HB SER 111 2HB SER 111 5.229 7.217 9.141 851 2HB SER 111 1HB SER 111 5.910 7.534 7.548 852 HG SER 111 HG SER 111 7.730 6.790 8.265 853 H LYS 112 H LYS 112 5.465 10.578 6.870 854 HA LYS 112 HA LYS 112 2.569 10.573 7.389 855 1HB LYS 112 2HB LYS 112 3.543 12.680 8.328 856 2HB LYS 112 1HB LYS 112 4.123 13.081 6.711 857 1HG LYS 112 2HG LYS 112 1.793 12.968 5.864 858 2HG LYS 112 1HG LYS 112 1.230 12.630 7.502 859 1HD LYS 112 2HD LYS 112 2.306 14.795 8.229 860 2HD LYS 112 1HD LYS 112 2.612 15.144 6.528 861 1HE LYS 112 2HE LYS 112 -0.108 14.659 7.779 862 2HE LYS 112 1HE LYS 112 0.524 16.218 7.251 863 1HZ LYS 112 1HZ LYS 112 0.771 14.344 5.163 864 2HZ LYS 112 2HZ LYS 112 -0.130 15.785 5.198 865 3HZ LYS 112 3HZ LYS 112 -0.828 14.329 5.728 866 H MET 113 H MET 113 1.548 9.931 5.604 867 HA MET 113 HA MET 113 2.761 10.562 2.982 868 1HB MET 113 2HB MET 113 1.422 7.969 3.784 869 2HB MET 113 1HB MET 113 2.029 8.360 2.173 870 1HG MET 113 2HG MET 113 3.846 7.205 3.048 871 2HG MET 113 1HG MET 113 4.270 8.861 3.483 872 1HE MET 113 1HE MET 113 3.730 5.386 4.503 873 2HE MET 113 2HE MET 113 2.050 5.849 4.759 874 3HE MET 113 3HE MET 113 3.047 5.381 6.135 875 H ASP 114 H ASP 114 1.154 10.285 1.173 876 HA ASP 114 HA ASP 114 -1.644 10.627 1.862 877 1HB ASP 114 2HB ASP 114 -0.527 12.914 2.093 878 2HB ASP 114 1HB ASP 114 -0.279 12.852 0.349 879 H ALA 115 H ALA 115 -2.914 11.102 -0.249 880 HA ALA 115 HA ALA 115 -1.625 9.652 -2.485 881 1HB ALA 115 1HB ALA 115 -3.189 8.110 -1.612 882 2HB ALA 115 2HB ALA 115 -4.010 8.849 -2.987 883 3HB ALA 115 3HB ALA 115 -4.401 9.364 -1.346 884 H LEU 116 H LEU 116 -1.083 11.602 -3.522 885 HA LEU 116 HA LEU 116 -3.230 13.455 -4.222 886 1HB LEU 116 2HB LEU 116 -0.384 13.616 -5.190 887 2HB LEU 116 1HB LEU 116 -1.544 14.923 -4.950 888 HG LEU 116 HG LEU 116 -0.201 13.267 -2.796 889 1HD1 LEU 116 1HD1 LEU 116 0.874 15.306 -2.168 890 2HD1 LEU 116 2HD1 LEU 116 -0.172 16.262 -3.218 891 3HD1 LEU 116 3HD1 LEU 116 1.045 15.196 -3.920 892 1HD2 LEU 116 1HD2 LEU 116 -2.472 15.264 -2.692 893 2HD2 LEU 116 2HD2 LEU 116 -1.474 14.907 -1.283 894 3HD2 LEU 116 3HD2 LEU 116 -2.431 13.628 -2.030 895 HA PRO 117 HA PRO 117 -3.925 11.666 -8.190 896 1HB PRO 117 2HB PRO 117 -4.896 13.822 -9.539 897 2HB PRO 117 1HB PRO 117 -5.820 12.984 -8.278 898 1HG PRO 117 2HG PRO 117 -4.293 15.536 -8.130 899 2HG PRO 117 1HG PRO 117 -5.849 15.105 -7.400 900 1HD PRO 117 2HD PRO 117 -3.476 15.120 -6.009 901 2HD PRO 117 1HD PRO 117 -4.864 14.097 -5.575 902 H LEU 118 H LEU 118 -2.870 11.356 -10.125 903 HA LEU 118 HA LEU 118 -0.298 12.490 -10.484 904 1HB LEU 118 2HB LEU 118 -2.028 10.963 -12.446 905 2HB LEU 118 1HB LEU 118 -0.305 11.287 -12.639 906 HG LEU 118 HG LEU 118 -1.306 9.947 -10.141 907 1HD1 LEU 118 1HD1 LEU 118 -2.236 8.674 -12.057 908 2HD1 LEU 118 2HD1 LEU 118 -0.979 7.764 -11.220 909 3HD1 LEU 118 3HD1 LEU 118 -0.619 8.561 -12.751 910 1HD2 LEU 118 1HD2 LEU 118 1.265 9.634 -11.717 911 2HD2 LEU 118 2HD2 LEU 118 0.948 9.082 -10.072 912 3HD2 LEU 118 3HD2 LEU 118 1.060 10.808 -10.417 913 H SER 119 H SER 119 0.000 14.571 -10.979 914 HA SER 119 HA SER 119 -1.922 16.060 -12.545 915 1HB SER 119 2HB SER 119 0.783 16.813 -11.420 916 2HB SER 119 1HB SER 119 -0.301 17.930 -12.245 917 HG SER 119 HG SER 119 -0.832 16.441 -9.882 918 H GLU 120 H GLU 120 -0.619 17.670 -14.180 919 HA GLU 120 HA GLU 120 -0.111 16.132 -16.474 920 1HB GLU 120 2HB GLU 120 0.612 18.213 -17.506 921 2HB GLU 120 1HB GLU 120 -0.800 18.524 -16.493 922 1HG GLU 120 2HG GLU 120 0.774 19.189 -14.641 923 2HG GLU 120 1HG GLU 120 2.098 19.068 -15.799 924 H GLU 121 H GLU 121 1.970 17.184 -13.894 925 HA GLU 121 HA GLU 121 4.475 17.022 -15.141 926 1HB GLU 121 2HB GLU 121 3.690 16.388 -12.287 927 2HB GLU 121 1HB GLU 121 5.350 16.585 -12.852 928 1HG GLU 121 2HG GLU 121 4.788 18.880 -13.626 929 2HG GLU 121 1HG GLU 121 3.163 18.681 -12.974 930 H TYR 122 H TYR 122 2.439 14.518 -13.690 931 HA TYR 122 HA TYR 122 4.318 12.403 -13.877 932 1HB TYR 122 2HB TYR 122 2.487 12.002 -12.452 933 2HB TYR 122 1HB TYR 122 1.315 12.509 -13.669 934 HD1 TYR 122 1HD TYR 122 3.999 9.950 -13.111 935 HD2 TYR 122 2HD TYR 122 0.240 10.888 -14.965 936 HE1 TYR 122 1HE TYR 122 3.829 7.620 -13.944 937 HE2 TYR 122 2HE TYR 122 0.063 8.554 -15.786 938 HH TYR 122 HH TYR 122 1.586 6.080 -14.637 939 H ARG 123 H ARG 123 1.829 13.622 -16.081 940 HA ARG 123 HA ARG 123 1.935 11.601 -18.016 941 1HB ARG 123 2HB ARG 123 1.433 14.565 -18.390 942 2HB ARG 123 1HB ARG 123 1.056 13.310 -19.571 943 1HG ARG 123 2HG ARG 123 -0.384 12.206 -17.819 944 2HG ARG 123 1HG ARG 123 -0.130 13.625 -16.802 945 1HD ARG 123 2HD ARG 123 -1.397 13.593 -19.555 946 2HD ARG 123 1HD ARG 123 -2.228 13.868 -18.026 947 HE ARG 123 HE ARG 123 -0.125 15.751 -18.330 948 1HH1 ARG 123 1HH2 ARG 123 -3.248 14.886 -19.546 949 2HH1 ARG 123 2HH2 ARG 123 -3.674 16.504 -19.994 950 1HH2 ARG 123 1HH1 ARG 123 -0.676 17.875 -18.918 951 2HH2 ARG 123 2HH1 ARG 123 -2.218 18.196 -19.638 952 H GLN 124 H GLN 124 3.928 14.491 -17.579 953 HA GLN 124 HA GLN 124 5.422 14.174 -19.990 954 1HB GLN 124 2HB GLN 124 5.172 16.289 -18.562 955 2HB GLN 124 1HB GLN 124 6.398 15.582 -17.508 956 1HG GLN 124 2HG GLN 124 6.778 15.930 -20.492 957 2HG GLN 124 1HG GLN 124 7.301 17.124 -19.305 958 1HE2 GLN 124 1HE2 GLN 124 8.856 15.177 -21.157 959 2HE2 GLN 124 2HE2 GLN 124 9.945 14.415 -20.101 960 H HIS 125 H HIS 125 5.840 13.086 -16.662 961 HA HIS 125 HA HIS 125 8.487 12.188 -16.802 962 1HB HIS 125 2HB HIS 125 7.580 12.190 -14.650 963 2HB HIS 125 1HB HIS 125 6.103 11.375 -15.166 964 HD1 HIS 125 1HD HIS 125 9.767 10.697 -14.502 965 HD2 HIS 125 2HD HIS 125 6.241 8.569 -15.143 966 HE1 HIS 125 1HE HIS 125 10.296 8.270 -14.009 967 HE2 HIS 125 2HE HIS 125 8.153 6.961 -14.388 968 H GLN 126 H GLN 126 5.570 10.885 -18.146 969 HA GLN 126 HA GLN 126 6.419 8.197 -18.496 970 1HB GLN 126 2HB GLN 126 4.411 9.836 -20.062 971 2HB GLN 126 1HB GLN 126 4.597 8.086 -20.171 972 1HG GLN 126 2HG GLN 126 4.074 7.865 -17.779 973 2HG GLN 126 1HG GLN 126 3.920 9.616 -17.642 974 1HE2 GLN 126 1HE2 GLN 126 1.754 7.729 -17.094 975 2HE2 GLN 126 2HE2 GLN 126 0.530 8.036 -18.229 976 H ALA 127 H ALA 127 7.173 11.144 -20.124 977 HA ALA 127 HA ALA 127 8.129 9.780 -22.529 978 1HB ALA 127 1HB ALA 127 8.685 12.109 -23.273 979 2HB ALA 127 2HB ALA 127 8.032 12.701 -21.746 980 3HB ALA 127 3HB ALA 127 6.979 11.872 -22.894 981 H GLU 128 H GLU 128 9.496 12.097 -20.176 982 HA GLU 128 HA GLU 128 12.129 12.035 -20.894 983 1HB GLU 128 2HB GLU 128 12.663 12.780 -18.720 984 2HB GLU 128 1HB GLU 128 10.999 13.311 -18.965 985 1HG GLU 128 2HG GLU 128 10.270 11.141 -17.853 986 2HG GLU 128 1HG GLU 128 11.957 10.904 -17.401 987 H LYS 129 H LYS 129 10.428 9.658 -18.886 988 HA LYS 129 HA LYS 129 12.752 8.074 -18.358 989 1HB LYS 129 2HB LYS 129 11.263 6.526 -17.336 990 2HB LYS 129 1HB LYS 129 10.592 8.123 -17.003 991 1HG LYS 129 2HG LYS 129 9.133 7.841 -19.045 992 2HG LYS 129 1HG LYS 129 9.692 6.170 -19.135 993 1HD LYS 129 2HD LYS 129 8.948 6.013 -16.652 994 2HD LYS 129 1HD LYS 129 8.029 7.481 -16.991 995 1HE LYS 129 2HE LYS 129 7.215 6.110 -19.099 996 2HE LYS 129 1HE LYS 129 7.673 4.723 -18.110 997 1HZ LYS 129 1HZ LYS 129 5.301 5.634 -17.918 998 2HZ LYS 129 2HZ LYS 129 5.999 6.880 -16.995 999 3HZ LYS 129 3HZ LYS 129 6.136 5.264 -16.489 1000 H ASP 130 H ASP 130 10.515 8.315 -20.983 1001 HA ASP 130 HA ASP 130 11.115 5.692 -22.066 1002 1HB ASP 130 2HB ASP 130 8.897 6.765 -22.387 1003 2HB ASP 130 1HB ASP 130 9.673 8.028 -23.342 1004 H LYS 131 H LYS 131 12.913 5.258 -23.155 1005 HA LYS 131 HA LYS 131 14.806 5.508 -24.434 1006 1HB LYS 131 2HB LYS 131 13.002 6.139 -26.101 1007 2HB LYS 131 1HB LYS 131 13.355 7.825 -25.721 1008 1HG LYS 131 2HG LYS 131 14.770 7.472 -27.536 1009 2HG LYS 131 1HG LYS 131 15.847 7.100 -26.190 1010 1HD LYS 131 2HD LYS 131 15.403 4.715 -26.441 1011 2HD LYS 131 1HD LYS 131 14.220 5.040 -27.708 1012 1HE LYS 131 2HE LYS 131 16.094 6.172 -29.004 1013 2HE LYS 131 1HE LYS 131 17.209 5.507 -27.811 1014 1HZ LYS 131 1HZ LYS 131 15.863 4.199 -29.978 1015 2HZ LYS 131 2HZ LYS 131 15.663 3.383 -28.501 1016 3HZ LYS 131 3HZ LYS 131 17.223 3.705 -29.093 Start of MODEL 12 1 H MET 1 1H MET 1 4.483 -31.286 -2.078 2 HA MET 1 HA MET 1 3.162 -29.312 -3.819 3 1HB MET 1 2HB MET 1 2.163 -31.453 -1.915 4 2HB MET 1 1HB MET 1 1.151 -30.451 -2.956 5 1HG MET 1 2HG MET 1 1.415 -32.436 -4.200 6 2HG MET 1 1HG MET 1 2.620 -31.352 -4.895 7 1HE MET 1 1HE MET 1 4.805 -32.566 -5.605 8 2HE MET 1 2HE MET 1 3.369 -33.542 -5.908 9 3HE MET 1 3HE MET 1 4.821 -34.301 -5.257 10 H GLY 2 H GLY 2 4.143 -30.003 -0.529 11 1HA GLY 2 2HA GLY 2 2.448 -28.194 0.827 12 2HA GLY 2 1HA GLY 2 3.995 -28.789 1.420 13 H CYS 3 H CYS 3 2.668 -26.054 1.364 14 HA CYS 3 HA CYS 3 5.075 -24.586 0.654 15 1HB CYS 3 2HB CYS 3 2.421 -23.949 -0.658 16 2HB CYS 3 1HB CYS 3 3.896 -22.991 -0.797 17 HG CYS 3 HG CYS 3 4.935 -24.753 -2.284 18 H GLY 4 H GLY 4 2.596 -25.190 2.687 19 1HA GLY 4 2HA GLY 4 2.044 -24.160 4.690 20 2HA GLY 4 1HA GLY 4 3.093 -22.816 4.251 21 H ALA 5 H ALA 5 0.533 -24.026 2.179 22 HA ALA 5 HA ALA 5 -0.613 -21.456 1.823 23 1HB ALA 5 1HB ALA 5 -0.886 -23.028 0.058 24 2HB ALA 5 2HB ALA 5 -2.495 -22.794 0.743 25 3HB ALA 5 3HB ALA 5 -1.566 -24.239 1.145 26 H SER 6 H SER 6 -2.331 -20.469 2.768 27 HA SER 6 HA SER 6 -3.940 -19.998 4.337 28 1HB SER 6 2HB SER 6 -4.992 -22.024 3.214 29 2HB SER 6 1HB SER 6 -4.353 -22.983 4.547 30 HG SER 6 HG SER 6 -6.406 -22.330 5.102 31 H SER 7 H SER 7 -1.164 -21.667 4.991 32 HA SER 7 HA SER 7 -1.668 -21.771 7.896 33 1HB SER 7 2HB SER 7 -0.001 -23.391 8.070 34 2HB SER 7 1HB SER 7 -0.736 -23.783 6.519 35 HG SER 7 HG SER 7 1.112 -21.924 6.116 36 H GLU 8 H GLU 8 -0.340 -19.815 5.543 37 HA GLU 8 HA GLU 8 1.992 -18.880 6.927 38 1HB GLU 8 2HB GLU 8 1.935 -17.044 5.260 39 2HB GLU 8 1HB GLU 8 1.809 -18.634 4.507 40 1HG GLU 8 2HG GLU 8 0.114 -17.394 3.442 41 2HG GLU 8 1HG GLU 8 -0.754 -18.282 4.692 42 H ASN 9 H ASN 9 2.253 -17.049 8.174 43 HA ASN 9 HA ASN 9 -0.163 -16.082 9.494 44 1HB ASN 9 2HB ASN 9 2.767 -15.559 10.044 45 2HB ASN 9 1HB ASN 9 1.432 -14.980 11.038 46 1HD2 ASN 9 1HD2 ASN 9 3.339 -16.688 12.209 47 2HD2 ASN 9 2HD2 ASN 9 2.633 -18.204 12.496 48 H SER 10 H SER 10 2.785 -14.421 8.356 49 HA SER 10 HA SER 10 1.050 -12.222 7.400 50 1HB SER 10 2HB SER 10 3.883 -12.058 8.453 51 2HB SER 10 1HB SER 10 2.921 -10.703 7.870 52 HG SER 10 HG SER 10 1.504 -12.093 9.657 53 H SER 11 H SER 11 1.529 -11.271 5.423 54 HA SER 11 HA SER 11 3.809 -12.144 3.865 55 1HB SER 11 2HB SER 11 1.007 -13.030 3.177 56 2HB SER 11 1HB SER 11 2.301 -12.959 1.984 57 HG SER 11 HG SER 11 2.223 -15.012 2.909 58 H VAL 12 H VAL 12 3.045 -11.404 1.369 59 HA VAL 12 HA VAL 12 1.946 -8.681 1.627 60 HB VAL 12 HB VAL 12 4.404 -9.299 -0.015 61 1HG1 VAL 12 1HG1 VAL 12 3.396 -6.659 1.060 62 2HG1 VAL 12 2HG1 VAL 12 2.878 -7.296 -0.501 63 3HG1 VAL 12 3HG1 VAL 12 4.581 -6.931 -0.218 64 1HG2 VAL 12 1HG2 VAL 12 5.671 -8.179 1.814 65 2HG2 VAL 12 2HG2 VAL 12 4.938 -9.691 2.347 66 3HG2 VAL 12 3HG2 VAL 12 4.201 -8.151 2.788 67 H THR 13 H THR 13 0.605 -8.103 0.007 68 HA THR 13 HA THR 13 0.507 -9.840 -2.384 69 HB THR 13 HB THR 13 -1.954 -8.569 -1.216 70 HG1 THR 13 1HG THR 13 -2.276 -10.602 -0.175 71 1HG2 THR 13 1HG2 THR 13 -1.542 -11.097 -2.831 72 2HG2 THR 13 2HG2 THR 13 -1.905 -9.526 -3.544 73 3HG2 THR 13 3HG2 THR 13 -3.074 -10.300 -2.474 74 H TYR 14 H TYR 14 0.310 -8.831 -4.321 75 HA TYR 14 HA TYR 14 0.117 -5.878 -4.274 76 1HB TYR 14 2HB TYR 14 1.586 -7.650 -6.244 77 2HB TYR 14 1HB TYR 14 1.496 -5.890 -6.311 78 HD1 TYR 14 1HD TYR 14 3.371 -8.646 -5.113 79 HD2 TYR 14 2HD TYR 14 2.215 -4.635 -4.100 80 HE1 TYR 14 1HE TYR 14 5.293 -8.485 -3.554 81 HE2 TYR 14 2HE TYR 14 4.138 -4.474 -2.542 82 HH TYR 14 HH TYR 14 6.707 -6.593 -2.569 83 H VAL 15 H VAL 15 -0.638 -4.997 -6.455 84 HA VAL 15 HA VAL 15 -2.752 -6.726 -7.587 85 HB VAL 15 HB VAL 15 -4.137 -5.333 -6.414 86 1HG1 VAL 15 1HG1 VAL 15 -3.521 -2.973 -5.841 87 2HG1 VAL 15 2HG1 VAL 15 -1.981 -3.214 -6.667 88 3HG1 VAL 15 3HG1 VAL 15 -2.366 -4.155 -5.225 89 1HG2 VAL 15 1HG2 VAL 15 -4.330 -4.872 -8.932 90 2HG2 VAL 15 2HG2 VAL 15 -3.452 -3.374 -8.616 91 3HG2 VAL 15 3HG2 VAL 15 -5.021 -3.654 -7.859 92 H ASN 16 H ASN 16 -1.065 -3.616 -8.079 93 HA ASN 16 HA ASN 16 -1.465 -3.702 -10.929 94 1HB ASN 16 2HB ASN 16 0.250 -1.924 -9.183 95 2HB ASN 16 1HB ASN 16 0.026 -1.699 -10.917 96 1HD2 ASN 16 1HD2 ASN 16 -1.357 -1.066 -7.814 97 2HD2 ASN 16 2HD2 ASN 16 -2.824 -0.415 -8.365 98 H GLY 17 H GLY 17 0.959 -4.806 -8.710 99 1HA GLY 17 2HA GLY 17 2.267 -6.599 -10.211 100 2HA GLY 17 1HA GLY 17 3.008 -5.098 -10.758 101 H ARG 18 H ARG 18 4.730 -6.775 -9.688 102 HA ARG 18 HA ARG 18 4.980 -6.370 -6.817 103 1HB ARG 18 2HB ARG 18 6.363 -8.007 -8.887 104 2HB ARG 18 1HB ARG 18 7.281 -7.568 -7.446 105 1HG ARG 18 2HG ARG 18 6.099 -9.723 -7.143 106 2HG ARG 18 1HG ARG 18 5.513 -8.501 -6.014 107 1HD ARG 18 2HD ARG 18 3.564 -8.081 -7.371 108 2HD ARG 18 1HD ARG 18 4.189 -9.089 -8.673 109 HE ARG 18 HE ARG 18 3.872 -10.498 -6.168 110 1HH1 ARG 18 1HH2 ARG 18 2.375 -9.412 -9.093 111 2HH1 ARG 18 2HH2 ARG 18 1.152 -10.638 -9.085 112 1HH2 ARG 18 1HH1 ARG 18 2.271 -12.110 -6.151 113 2HH2 ARG 18 2HH1 ARG 18 1.092 -12.165 -7.420 114 HA PRO 19 HA PRO 19 7.609 -2.845 -6.976 115 1HB PRO 19 2HB PRO 19 9.211 -4.020 -4.797 116 2HB PRO 19 1HB PRO 19 8.200 -2.563 -4.793 117 1HG PRO 19 2HG PRO 19 7.473 -4.758 -3.478 118 2HG PRO 19 1HG PRO 19 6.287 -3.725 -4.292 119 1HD PRO 19 2HD PRO 19 7.419 -6.367 -5.198 120 2HD PRO 19 1HD PRO 19 5.742 -5.786 -5.259 121 H THR 20 H THR 20 9.520 -2.181 -7.903 122 HA THR 20 HA THR 20 11.134 -4.137 -9.237 123 HB THR 20 HB THR 20 11.666 -1.175 -8.911 124 HG1 THR 20 1HG THR 20 9.742 -2.542 -10.243 125 1HG2 THR 20 1HG2 THR 20 12.534 -3.206 -10.986 126 2HG2 THR 20 2HG2 THR 20 13.568 -2.483 -9.754 127 3HG2 THR 20 3HG2 THR 20 12.891 -1.480 -11.036 128 H PHE 21 H PHE 21 11.333 -2.407 -6.235 129 HA PHE 21 HA PHE 21 14.109 -3.330 -5.841 130 1HB PHE 21 2HB PHE 21 13.707 -0.909 -5.524 131 2HB PHE 21 1HB PHE 21 12.525 -1.283 -4.270 132 HD1 PHE 21 1HD PHE 21 13.204 -1.784 -2.052 133 HD2 PHE 21 2HD PHE 21 16.110 -1.676 -5.213 134 HE1 PHE 21 1HE PHE 21 15.028 -1.949 -0.381 135 HE2 PHE 21 2HE PHE 21 17.935 -1.841 -3.541 136 HZ PHE 21 HZ PHE 21 17.394 -1.979 -1.125 137 H VAL 22 H VAL 22 14.582 -4.817 -4.317 138 HA VAL 22 HA VAL 22 12.378 -5.712 -2.554 139 HB VAL 22 HB VAL 22 14.462 -7.686 -3.230 140 1HG1 VAL 22 1HG1 VAL 22 12.414 -8.154 -1.892 141 2HG1 VAL 22 2HG1 VAL 22 12.502 -9.146 -3.347 142 3HG1 VAL 22 3HG1 VAL 22 11.429 -7.747 -3.298 143 1HG2 VAL 22 1HG2 VAL 22 13.246 -8.155 -5.439 144 2HG2 VAL 22 2HG2 VAL 22 14.324 -6.759 -5.429 145 3HG2 VAL 22 3HG2 VAL 22 12.580 -6.528 -5.299 146 H GLY 23 H GLY 23 12.822 -5.831 -0.432 147 1HA GLY 23 2HA GLY 23 15.647 -5.521 0.404 148 2HA GLY 23 1HA GLY 23 14.306 -4.741 1.236 149 H GLU 24 H GLU 24 13.438 -5.768 2.933 150 HA GLU 24 HA GLU 24 13.526 -8.686 3.093 151 1HB GLU 24 2HB GLU 24 15.652 -7.848 4.125 152 2HB GLU 24 1HB GLU 24 14.677 -6.968 5.303 153 1HG GLU 24 2HG GLU 24 13.620 -9.099 5.998 154 2HG GLU 24 1HG GLU 24 14.639 -9.967 4.851 155 H GLU 25 H GLU 25 12.875 -5.839 5.156 156 HA GLU 25 HA GLU 25 10.419 -7.116 6.109 157 1HB GLU 25 2HB GLU 25 12.031 -5.994 7.687 158 2HB GLU 25 1HB GLU 25 11.595 -4.457 6.940 159 1HG GLU 25 2HG GLU 25 10.208 -4.728 8.894 160 2HG GLU 25 1HG GLU 25 9.186 -4.972 7.479 161 H VAL 26 H VAL 26 8.461 -6.614 5.360 162 HA VAL 26 HA VAL 26 8.173 -4.147 3.749 163 HB VAL 26 HB VAL 26 6.489 -6.611 3.356 164 1HG1 VAL 26 1HG1 VAL 26 5.736 -4.469 2.380 165 2HG1 VAL 26 2HG1 VAL 26 6.199 -5.613 1.120 166 3HG1 VAL 26 3HG1 VAL 26 7.289 -4.298 1.562 167 1HG2 VAL 26 1HG2 VAL 26 9.197 -5.951 2.163 168 2HG2 VAL 26 2HG2 VAL 26 8.079 -7.107 1.438 169 3HG2 VAL 26 3HG2 VAL 26 8.741 -7.409 3.044 170 H THR 27 H THR 27 6.561 -2.786 4.283 171 HA THR 27 HA THR 27 4.411 -3.723 6.053 172 HB THR 27 HB THR 27 5.571 -1.085 6.745 173 HG1 THR 27 1HG THR 27 7.472 -2.110 6.701 174 1HG2 THR 27 1HG2 THR 27 4.814 -1.665 8.909 175 2HG2 THR 27 2HG2 THR 27 4.823 -3.390 8.541 176 3HG2 THR 27 3HG2 THR 27 3.595 -2.343 7.827 177 H LYS 28 H LYS 28 2.475 -2.832 5.583 178 HA LYS 28 HA LYS 28 2.268 -1.149 3.250 179 1HB LYS 28 2HB LYS 28 -0.157 -1.362 3.599 180 2HB LYS 28 1HB LYS 28 0.633 -2.937 3.679 181 1HG LYS 28 2HG LYS 28 0.708 -2.693 6.182 182 2HG LYS 28 1HG LYS 28 -0.265 -1.232 6.017 183 1HD LYS 28 2HD LYS 28 -1.960 -2.639 4.749 184 2HD LYS 28 1HD LYS 28 -1.040 -4.056 5.254 185 1HE LYS 28 2HE LYS 28 -2.873 -3.661 6.828 186 2HE LYS 28 1HE LYS 28 -1.328 -3.370 7.627 187 1HZ LYS 28 1HZ LYS 28 -3.449 -1.616 7.399 188 2HZ LYS 28 2HZ LYS 28 -2.249 -1.013 6.359 189 3HZ LYS 28 3HZ LYS 28 -1.900 -1.278 8.001 190 H GLY 29 H GLY 29 1.889 0.994 3.152 191 1HA GLY 29 2HA GLY 29 2.151 2.552 5.579 192 2HA GLY 29 1HA GLY 29 2.049 3.179 3.937 193 H PHE 30 H PHE 30 -0.243 2.520 2.923 194 HA PHE 30 HA PHE 30 -2.196 3.861 4.603 195 1HB PHE 30 2HB PHE 30 -2.400 2.794 1.776 196 2HB PHE 30 1HB PHE 30 -3.622 3.774 2.589 197 HD1 PHE 30 1HD PHE 30 -3.082 6.119 3.290 198 HD2 PHE 30 2HD PHE 30 -0.415 3.780 0.868 199 HE1 PHE 30 1HE PHE 30 -1.869 8.180 2.634 200 HE2 PHE 30 2HE PHE 30 0.798 5.841 0.212 201 HZ PHE 30 HZ PHE 30 0.071 8.041 1.096 202 H GLU 31 H GLU 31 -3.666 2.869 5.820 203 HA GLU 31 HA GLU 31 -3.815 0.018 5.968 204 1HB GLU 31 2HB GLU 31 -5.560 2.171 7.186 205 2HB GLU 31 1HB GLU 31 -5.649 0.457 7.591 206 1HG GLU 31 2HG GLU 31 -3.264 0.513 8.276 207 2HG GLU 31 1HG GLU 31 -3.222 2.241 7.929 208 H LYS 32 H LYS 32 -5.429 2.409 4.096 209 HA LYS 32 HA LYS 32 -7.857 0.962 3.623 210 1HB LYS 32 2HB LYS 32 -6.584 3.139 1.947 211 2HB LYS 32 1HB LYS 32 -8.268 2.615 1.888 212 1HG LYS 32 2HG LYS 32 -6.937 3.730 4.372 213 2HG LYS 32 1HG LYS 32 -7.900 4.698 3.254 214 1HD LYS 32 2HD LYS 32 -9.745 2.919 3.616 215 2HD LYS 32 1HD LYS 32 -8.801 2.426 5.022 216 1HE LYS 32 2HE LYS 32 -10.386 4.027 5.825 217 2HE LYS 32 1HE LYS 32 -8.840 4.870 5.746 218 1HZ LYS 32 1HZ LYS 32 -9.559 6.203 4.119 219 2HZ LYS 32 2HZ LYS 32 -11.116 5.746 4.623 220 3HZ LYS 32 3HZ LYS 32 -10.381 4.961 3.307 221 H ASP 33 H ASP 33 -8.485 -0.055 1.644 222 HA ASP 33 HA ASP 33 -8.181 -1.633 -0.003 223 1HB ASP 33 2HB ASP 33 -5.880 0.218 -0.664 224 2HB ASP 33 1HB ASP 33 -6.504 -1.038 -1.731 225 H ASN 34 H ASN 34 -6.063 -2.810 -1.187 226 HA ASN 34 HA ASN 34 -5.205 -4.720 0.635 227 1HB ASN 34 2HB ASN 34 -5.117 -4.870 -1.884 228 2HB ASN 34 1HB ASN 34 -3.659 -3.881 -1.822 229 1HD2 ASN 34 1HD2 ASN 34 -5.005 -6.944 -0.487 230 2HD2 ASN 34 2HD2 ASN 34 -3.503 -7.728 -0.385 231 H GLY 35 H GLY 35 -3.703 -1.667 -0.292 232 1HA GLY 35 2HA GLY 35 -2.402 -1.090 2.031 233 2HA GLY 35 1HA GLY 35 -1.277 -2.155 1.192 234 H LEU 36 H LEU 36 -2.409 -1.082 -1.425 235 HA LEU 36 HA LEU 36 -1.839 0.514 -2.974 236 1HB LEU 36 2HB LEU 36 -1.621 2.410 -0.630 237 2HB LEU 36 1HB LEU 36 -1.971 2.811 -2.312 238 HG LEU 36 HG LEU 36 -3.737 1.166 -0.474 239 1HD1 LEU 36 1HD1 LEU 36 -3.597 3.705 -0.143 240 2HD1 LEU 36 2HD1 LEU 36 -5.204 3.045 -0.448 241 3HD1 LEU 36 3HD1 LEU 36 -4.319 3.846 -1.746 242 1HD2 LEU 36 1HD2 LEU 36 -5.336 1.568 -2.499 243 2HD2 LEU 36 2HD2 LEU 36 -4.122 0.297 -2.627 244 3HD2 LEU 36 3HD2 LEU 36 -3.851 1.856 -3.406 245 H LEU 37 H LEU 37 0.016 1.836 -0.252 246 HA LEU 37 HA LEU 37 2.465 1.478 -1.856 247 1HB LEU 37 2HB LEU 37 1.901 3.795 -1.183 248 2HB LEU 37 1HB LEU 37 1.973 3.302 0.510 249 HG LEU 37 HG LEU 37 4.355 2.423 -0.104 250 1HD1 LEU 37 1HD1 LEU 37 4.355 4.643 -2.098 251 2HD1 LEU 37 2HD1 LEU 37 3.685 3.094 -2.611 252 3HD1 LEU 37 3HD1 LEU 37 5.350 3.188 -2.037 253 1HD2 LEU 37 1HD2 LEU 37 4.139 4.225 1.442 254 2HD2 LEU 37 2HD2 LEU 37 3.560 5.326 0.192 255 3HD2 LEU 37 3HD2 LEU 37 5.247 4.814 0.202 256 H PHE 38 H PHE 38 4.019 0.129 -1.197 257 HA PHE 38 HA PHE 38 3.746 -1.087 1.483 258 1HB PHE 38 2HB PHE 38 5.061 -2.134 -1.035 259 2HB PHE 38 1HB PHE 38 5.092 -2.955 0.526 260 HD1 PHE 38 1HD PHE 38 3.028 -2.014 -2.359 261 HD2 PHE 38 2HD PHE 38 3.031 -3.876 1.512 262 HE1 PHE 38 1HE PHE 38 0.800 -2.996 -2.830 263 HE2 PHE 38 2HE PHE 38 0.803 -4.859 1.041 264 HZ PHE 38 HZ PHE 38 -0.313 -4.418 -1.129 265 H ARG 39 H ARG 39 5.206 -0.533 2.958 266 HA ARG 39 HA ARG 39 7.521 1.035 2.248 267 1HB ARG 39 2HB ARG 39 6.221 1.446 4.322 268 2HB ARG 39 1HB ARG 39 6.734 -0.129 4.928 269 1HG ARG 39 2HG ARG 39 9.038 0.534 4.964 270 2HG ARG 39 1HG ARG 39 8.692 2.007 4.056 271 1HD ARG 39 2HD ARG 39 8.987 2.471 6.471 272 2HD ARG 39 1HD ARG 39 7.365 2.877 5.920 273 HE ARG 39 HE ARG 39 6.525 1.124 7.222 274 1HH1 ARG 39 1HH2 ARG 39 9.979 1.054 7.017 275 2HH1 ARG 39 2HH2 ARG 39 10.166 -0.137 8.261 276 1HH2 ARG 39 1HH1 ARG 39 6.763 -0.440 8.853 277 2HH2 ARG 39 2HH1 ARG 39 8.345 -0.984 9.299 278 H ILE 40 H ILE 40 9.199 0.030 1.323 279 HA ILE 40 HA ILE 40 9.919 -2.683 2.188 280 HB ILE 40 HB ILE 40 11.057 -1.050 -0.092 281 1HG1 ILE 40 2HG1 ILE 40 8.911 -3.197 -0.142 282 2HG1 ILE 40 1HG1 ILE 40 8.599 -1.468 -0.310 283 1HG2 ILE 40 1HG2 ILE 40 11.804 -3.269 -0.890 284 2HG2 ILE 40 2HG2 ILE 40 11.127 -4.014 0.557 285 3HG2 ILE 40 3HG2 ILE 40 12.486 -2.898 0.693 286 1HD1 ILE 40 1HD1 ILE 40 8.722 -2.261 -2.540 287 2HD1 ILE 40 2HD1 ILE 40 10.113 -3.285 -2.187 288 3HD1 ILE 40 3HD1 ILE 40 10.301 -1.533 -2.246 289 H VAL 41 H VAL 41 11.677 -3.103 3.389 290 HA VAL 41 HA VAL 41 13.738 -1.018 3.681 291 HB VAL 41 HB VAL 41 12.454 -2.495 5.991 292 1HG1 VAL 41 1HG1 VAL 41 13.849 -0.746 7.267 293 2HG1 VAL 41 2HG1 VAL 41 14.730 -0.523 5.755 294 3HG1 VAL 41 3HG1 VAL 41 14.727 -2.097 6.551 295 1HG2 VAL 41 1HG2 VAL 41 11.001 -0.734 5.025 296 2HG2 VAL 41 2HG2 VAL 41 12.322 0.425 5.174 297 3HG2 VAL 41 3HG2 VAL 41 11.595 -0.272 6.621 298 H ASN 42 H ASN 42 15.737 -1.815 3.517 299 HA ASN 42 HA ASN 42 16.084 -4.742 3.671 300 1HB ASN 42 2HB ASN 42 16.684 -3.326 1.563 301 2HB ASN 42 1HB ASN 42 18.107 -2.863 2.494 302 1HD2 ASN 42 1HD2 ASN 42 16.460 -6.045 2.567 303 2HD2 ASN 42 2HD2 ASN 42 17.788 -6.918 1.971 304 H LYS 43 H LYS 43 16.591 -5.199 5.751 305 HA LYS 43 HA LYS 43 17.886 -3.584 7.595 306 1HB LYS 43 2HB LYS 43 17.939 -6.603 7.375 307 2HB LYS 43 1HB LYS 43 18.420 -5.685 8.803 308 1HG LYS 43 2HG LYS 43 16.156 -4.693 8.920 309 2HG LYS 43 1HG LYS 43 15.675 -5.642 7.513 310 1HD LYS 43 2HD LYS 43 14.942 -6.804 9.519 311 2HD LYS 43 1HD LYS 43 16.256 -7.721 8.781 312 1HE LYS 43 2HE LYS 43 17.772 -7.152 10.442 313 2HE LYS 43 1HE LYS 43 16.937 -5.649 10.833 314 1HZ LYS 43 1HZ LYS 43 16.676 -8.137 12.073 315 2HZ LYS 43 2HZ LYS 43 15.197 -7.795 11.310 316 3HZ LYS 43 3HZ LYS 43 15.852 -6.699 12.431 317 H LYS 44 H LYS 44 19.240 -5.653 5.099 318 HA LYS 44 HA LYS 44 21.871 -5.892 5.888 319 1HB LYS 44 2HB LYS 44 20.775 -5.387 3.113 320 2HB LYS 44 1HB LYS 44 22.425 -5.910 3.453 321 1HG LYS 44 2HG LYS 44 21.685 -7.979 4.381 322 2HG LYS 44 1HG LYS 44 20.011 -7.426 4.462 323 1HD LYS 44 2HD LYS 44 20.439 -8.979 2.544 324 2HD LYS 44 1HD LYS 44 19.853 -7.395 2.034 325 1HE LYS 44 2HE LYS 44 21.878 -8.372 0.762 326 2HE LYS 44 1HE LYS 44 21.998 -6.702 1.317 327 1HZ LYS 44 1HZ LYS 44 23.121 -7.567 3.333 328 2HZ LYS 44 2HZ LYS 44 23.995 -7.832 1.900 329 3HZ LYS 44 3HZ LYS 44 23.139 -9.109 2.625 330 H LYS 45 H LYS 45 20.865 -3.413 3.533 331 HA LYS 45 HA LYS 45 23.069 -1.711 4.436 332 1HB LYS 45 2HB LYS 45 21.168 -1.485 2.091 333 2HB LYS 45 1HB LYS 45 22.461 -0.337 2.444 334 1HG LYS 45 2HG LYS 45 24.097 -2.232 2.344 335 2HG LYS 45 1HG LYS 45 22.781 -3.289 1.834 336 1HD LYS 45 2HD LYS 45 22.368 -1.786 -0.110 337 2HD LYS 45 1HD LYS 45 23.760 -0.818 0.376 338 1HE LYS 45 2HE LYS 45 25.148 -2.939 0.243 339 2HE LYS 45 1HE LYS 45 23.753 -3.712 -0.511 340 1HZ LYS 45 1HZ LYS 45 23.790 -1.941 -2.201 341 2HZ LYS 45 2HZ LYS 45 25.206 -2.880 -2.203 342 3HZ LYS 45 3HZ LYS 45 25.213 -1.329 -1.512 343 H LYS 46 H LYS 46 19.879 -2.174 5.218 344 HA LYS 46 HA LYS 46 18.306 -0.934 6.342 345 1HB LYS 46 2HB LYS 46 20.910 0.312 7.104 346 2HB LYS 46 1HB LYS 46 19.422 1.144 7.558 347 1HG LYS 46 2HG LYS 46 19.403 -1.765 8.062 348 2HG LYS 46 1HG LYS 46 20.568 -0.860 9.028 349 1HD LYS 46 2HD LYS 46 18.527 -0.860 10.278 350 2HD LYS 46 1HD LYS 46 18.674 0.752 9.578 351 1HE LYS 46 2HE LYS 46 17.097 0.248 7.850 352 2HE LYS 46 1HE LYS 46 17.131 -1.473 8.231 353 1HZ LYS 46 1HZ LYS 46 15.507 -1.153 9.676 354 2HZ LYS 46 2HZ LYS 46 15.472 0.505 9.307 355 3HZ LYS 46 3HZ LYS 46 16.469 -0.070 10.557 356 H GLN 47 H GLN 47 18.630 -0.385 3.560 357 HA GLN 47 HA GLN 47 18.229 2.526 3.386 358 1HB GLN 47 2HB GLN 47 18.380 2.178 0.942 359 2HB GLN 47 1HB GLN 47 19.808 1.572 1.781 360 1HG GLN 47 2HG GLN 47 18.601 -0.703 1.821 361 2HG GLN 47 1HG GLN 47 17.510 -0.007 0.623 362 1HE2 GLN 47 1HE2 GLN 47 20.261 1.594 -0.060 363 2HE2 GLN 47 2HE2 GLN 47 20.979 0.525 -1.166 364 H TRP 48 H TRP 48 16.238 3.332 3.302 365 HA TRP 48 HA TRP 48 13.955 1.558 3.156 366 1HB TRP 48 2HB TRP 48 14.265 4.535 3.537 367 2HB TRP 48 1HB TRP 48 12.688 3.762 3.381 368 HD1 TRP 48 HD TRP 48 15.326 1.723 5.100 369 HE1 TRP 48 1HE TRP 48 14.826 1.605 7.627 370 HE3 TRP 48 3HE TRP 48 11.622 5.223 5.432 371 HZ2 TRP 48 2HZ TRP 48 13.085 2.834 9.536 372 HZ3 TRP 48 3HZ TRP 48 10.561 5.729 7.614 373 HH2 TRP 48 HH TRP 48 11.288 4.540 9.665 374 H ALA 49 H ALA 49 12.363 1.543 1.573 375 HA ALA 49 HA ALA 49 12.730 3.184 -0.821 376 1HB ALA 49 1HB ALA 49 14.033 1.336 -1.506 377 2HB ALA 49 2HB ALA 49 12.447 1.044 -2.219 378 3HB ALA 49 3HB ALA 49 12.932 0.177 -0.762 379 H TYR 50 H TYR 50 10.842 3.483 -1.993 380 HA TYR 50 HA TYR 50 8.416 2.216 -0.873 381 1HB TYR 50 2HB TYR 50 8.848 5.085 -1.717 382 2HB TYR 50 1HB TYR 50 7.253 4.385 -1.436 383 HD1 TYR 50 1HD TYR 50 10.112 5.915 0.085 384 HD2 TYR 50 2HD TYR 50 6.845 3.233 0.844 385 HE1 TYR 50 1HE TYR 50 10.380 6.280 2.523 386 HE2 TYR 50 2HE TYR 50 7.112 3.597 3.283 387 HH TYR 50 HH TYR 50 8.799 6.103 4.591 388 H TYR 51 H TYR 51 6.976 1.405 -2.298 389 HA TYR 51 HA TYR 51 7.483 1.886 -5.174 390 1HB TYR 51 2HB TYR 51 8.163 -0.343 -4.832 391 2HB TYR 51 1HB TYR 51 6.845 -0.665 -3.705 392 HD1 TYR 51 1HD TYR 51 7.407 0.404 -7.259 393 HD2 TYR 51 2HD TYR 51 4.939 -1.760 -4.487 394 HE1 TYR 51 1HE TYR 51 5.992 -0.387 -9.136 395 HE2 TYR 51 2HE TYR 51 3.524 -2.551 -6.365 396 HH TYR 51 HH TYR 51 3.689 -2.891 -8.772 397 H ASN 52 H ASN 52 5.823 2.795 -6.196 398 HA ASN 52 HA ASN 52 3.214 2.898 -4.880 399 1HB ASN 52 2HB ASN 52 4.122 4.993 -5.729 400 2HB ASN 52 1HB ASN 52 4.274 4.301 -7.343 401 1HD2 ASN 52 1HD2 ASN 52 2.738 6.486 -7.410 402 2HD2 ASN 52 2HD2 ASN 52 1.081 6.121 -7.434 403 H ASP 53 H ASP 53 1.576 1.622 -5.431 404 HA ASP 53 HA ASP 53 1.803 0.004 -7.877 405 1HB ASP 53 2HB ASP 53 0.138 -1.448 -6.872 406 2HB ASP 53 1HB ASP 53 1.427 -1.154 -5.705 407 H THR 54 H THR 54 -0.286 2.316 -6.234 408 HA THR 54 HA THR 54 -2.538 2.162 -7.895 409 HB THR 54 HB THR 54 -2.842 4.613 -7.200 410 HG1 THR 54 1HG THR 54 -0.481 4.790 -6.874 411 1HG2 THR 54 1HG2 THR 54 -3.963 2.938 -5.937 412 2HG2 THR 54 2HG2 THR 54 -3.102 3.916 -4.749 413 3HG2 THR 54 3HG2 THR 54 -2.455 2.349 -5.237 414 H THR 55 H THR 55 -2.788 2.586 -9.986 415 HA THR 55 HA THR 55 -0.711 4.110 -11.393 416 HB THR 55 HB THR 55 -1.821 3.222 -13.441 417 HG1 THR 55 1HG THR 55 -3.585 2.344 -11.476 418 1HG2 THR 55 1HG2 THR 55 -1.008 0.977 -13.178 419 2HG2 THR 55 2HG2 THR 55 -1.239 1.036 -11.431 420 3HG2 THR 55 3HG2 THR 55 0.020 2.012 -12.187 421 H GLN 56 H GLN 56 -3.195 5.057 -9.712 422 HA GLN 56 HA GLN 56 -4.093 7.044 -11.712 423 1HB GLN 56 2HB GLN 56 -6.147 7.062 -9.981 424 2HB GLN 56 1HB GLN 56 -6.098 5.995 -11.385 425 1HG GLN 56 2HG GLN 56 -4.935 5.163 -8.727 426 2HG GLN 56 1HG GLN 56 -6.638 4.912 -9.110 427 1HE2 GLN 56 1HE2 GLN 56 -4.387 2.887 -8.777 428 2HE2 GLN 56 2HE2 GLN 56 -4.404 1.992 -10.220 429 H TYR 57 H TYR 57 -2.633 6.443 -8.701 430 HA TYR 57 HA TYR 57 -2.603 9.331 -8.137 431 1HB TYR 57 2HB TYR 57 -2.855 7.427 -5.842 432 2HB TYR 57 1HB TYR 57 -3.308 9.129 -5.941 433 HD1 TYR 57 1HD TYR 57 -4.520 5.797 -6.029 434 HD2 TYR 57 2HD TYR 57 -5.201 9.701 -7.688 435 HE1 TYR 57 1HE TYR 57 -6.843 5.148 -6.605 436 HE2 TYR 57 2HE TYR 57 -7.524 9.051 -8.265 437 HH TYR 57 HH TYR 57 -9.109 7.493 -8.022 438 H GLU 58 H GLU 58 -0.700 10.082 -7.277 439 HA GLU 58 HA GLU 58 1.550 8.212 -7.311 440 1HB GLU 58 2HB GLU 58 2.910 10.315 -7.099 441 2HB GLU 58 1HB GLU 58 1.890 10.258 -8.538 442 1HG GLU 58 2HG GLU 58 0.888 11.517 -5.991 443 2HG GLU 58 1HG GLU 58 1.886 12.436 -7.118 444 H MET 59 H MET 59 2.950 7.910 -5.570 445 HA MET 59 HA MET 59 1.724 8.399 -2.952 446 1HB MET 59 2HB MET 59 3.809 6.507 -3.990 447 2HB MET 59 1HB MET 59 3.724 6.861 -2.264 448 1HG MET 59 2HG MET 59 2.333 4.860 -3.198 449 2HG MET 59 1HG MET 59 1.568 5.962 -2.053 450 1HE MET 59 1HE MET 59 -0.435 4.501 -3.154 451 2HE MET 59 2HE MET 59 -1.543 5.529 -4.058 452 3HE MET 59 3HE MET 59 -0.895 6.086 -2.517 453 H HIS 60 H HIS 60 2.356 10.074 -1.769 454 HA HIS 60 HA HIS 60 4.990 11.287 -2.293 455 1HB HIS 60 2HB HIS 60 2.455 12.322 -1.026 456 2HB HIS 60 1HB HIS 60 3.995 13.166 -0.855 457 HD1 HIS 60 1HD HIS 60 4.456 14.827 -2.648 458 HD2 HIS 60 2HD HIS 60 1.911 11.809 -3.986 459 HE1 HIS 60 1HE HIS 60 3.834 15.419 -5.031 460 HE2 HIS 60 2HE HIS 60 2.282 13.587 -5.860 461 H VAL 61 H VAL 61 6.598 10.922 -0.911 462 HA VAL 61 HA VAL 61 5.950 9.805 1.737 463 HB VAL 61 HB VAL 61 8.456 9.725 0.052 464 1HG1 VAL 61 1HG1 VAL 61 7.978 8.967 2.938 465 2HG1 VAL 61 2HG1 VAL 61 9.267 9.971 2.273 466 3HG1 VAL 61 3HG1 VAL 61 9.265 8.231 1.983 467 1HG2 VAL 61 1HG2 VAL 61 6.454 8.158 -0.353 468 2HG2 VAL 61 2HG2 VAL 61 6.837 7.451 1.217 469 3HG2 VAL 61 3HG2 VAL 61 8.021 7.389 -0.091 470 H LEU 62 H LEU 62 6.216 10.994 3.504 471 HA LEU 62 HA LEU 62 8.209 13.154 3.518 472 1HB LEU 62 2HB LEU 62 6.040 14.191 2.922 473 2HB LEU 62 1HB LEU 62 5.334 13.526 4.395 474 HG LEU 62 HG LEU 62 7.164 14.736 5.680 475 1HD1 LEU 62 1HD1 LEU 62 7.996 16.786 4.282 476 2HD1 LEU 62 2HD1 LEU 62 7.638 15.763 2.891 477 3HD1 LEU 62 3HD1 LEU 62 8.816 15.237 4.091 478 1HD2 LEU 62 1HD2 LEU 62 4.845 15.587 5.530 479 2HD2 LEU 62 2HD2 LEU 62 5.252 16.422 4.030 480 3HD2 LEU 62 3HD2 LEU 62 6.007 16.913 5.546 481 H VAL 63 H VAL 63 9.462 11.914 4.928 482 HA VAL 63 HA VAL 63 8.250 11.353 7.567 483 HB VAL 63 HB VAL 63 10.684 10.083 6.291 484 1HG1 VAL 63 1HG1 VAL 63 10.825 10.121 8.728 485 2HG1 VAL 63 2HG1 VAL 63 10.442 8.484 8.196 486 3HG1 VAL 63 3HG1 VAL 63 9.175 9.514 8.860 487 1HG2 VAL 63 1HG2 VAL 63 8.296 9.600 5.359 488 2HG2 VAL 63 2HG2 VAL 63 8.052 8.735 6.876 489 3HG2 VAL 63 3HG2 VAL 63 9.328 8.230 5.768 490 H THR 64 H THR 64 9.036 12.365 9.312 491 HA THR 64 HA THR 64 11.452 14.032 8.964 492 HB THR 64 HB THR 64 9.196 14.357 10.958 493 HG1 THR 64 1HG THR 64 9.139 14.842 8.453 494 1HG2 THR 64 1HG2 THR 64 11.310 15.247 11.781 495 2HG2 THR 64 2HG2 THR 64 10.263 16.585 11.305 496 3HG2 THR 64 3HG2 THR 64 11.585 16.082 10.252 497 H PHE 65 H PHE 65 13.183 13.686 10.239 498 HA PHE 65 HA PHE 65 12.885 11.727 12.436 499 1HB PHE 65 2HB PHE 65 15.520 12.193 11.110 500 2HB PHE 65 1HB PHE 65 14.881 10.727 11.854 501 HD1 PHE 65 1HD PHE 65 13.713 9.104 10.571 502 HD2 PHE 65 2HD PHE 65 14.547 12.971 8.895 503 HE1 PHE 65 1HE PHE 65 12.950 8.307 8.350 504 HE2 PHE 65 2HE PHE 65 13.785 12.173 6.674 505 HZ PHE 65 HZ PHE 65 12.987 9.840 6.402 506 H ASN 66 H ASN 66 14.396 11.979 14.229 507 HA ASN 66 HA ASN 66 14.629 14.758 15.010 508 1HB ASN 66 2HB ASN 66 13.922 12.880 16.555 509 2HB ASN 66 1HB ASN 66 15.595 12.327 16.521 510 1HD2 ASN 66 1HD2 ASN 66 16.858 13.171 18.178 511 2HD2 ASN 66 2HD2 ASN 66 16.569 14.645 18.969 512 H GLU 67 H GLU 67 16.608 15.717 15.777 513 HA GLU 67 HA GLU 67 18.721 15.691 14.019 514 1HB GLU 67 2HB GLU 67 18.647 17.483 15.548 515 2HB GLU 67 1HB GLU 67 18.582 16.404 16.943 516 1HG GLU 67 2HG GLU 67 20.855 15.842 16.775 517 2HG GLU 67 1HG GLU 67 20.954 16.355 15.091 518 H ASP 68 H ASP 68 18.341 13.764 16.974 519 HA ASP 68 HA ASP 68 20.893 12.455 16.656 520 1HB ASP 68 2HB ASP 68 18.532 11.898 18.464 521 2HB ASP 68 1HB ASP 68 20.056 11.014 18.527 522 H CYS 69 H CYS 69 20.279 11.892 14.335 523 HA CYS 69 HA CYS 69 19.449 9.104 14.303 524 1HB CYS 69 2HB CYS 69 18.022 11.106 12.541 525 2HB CYS 69 1HB CYS 69 17.712 9.373 12.655 526 HG CYS 69 HG CYS 69 17.145 10.007 15.310 527 H ASP 70 H ASP 70 21.117 8.206 13.277 528 HA ASP 70 HA ASP 70 22.670 9.663 11.321 529 1HB ASP 70 2HB ASP 70 23.613 7.998 12.985 530 2HB ASP 70 1HB ASP 70 22.872 6.728 12.011 531 H ILE 71 H ILE 71 20.868 10.020 9.821 532 HA ILE 71 HA ILE 71 20.314 7.638 8.155 533 HB ILE 71 HB ILE 71 18.234 8.784 7.469 534 1HG1 ILE 71 2HG1 ILE 71 19.106 10.826 9.540 535 2HG1 ILE 71 1HG1 ILE 71 18.976 11.101 7.802 536 1HG2 ILE 71 1HG2 ILE 71 18.298 7.221 9.430 537 2HG2 ILE 71 2HG2 ILE 71 17.030 8.440 9.554 538 3HG2 ILE 71 3HG2 ILE 71 18.517 8.617 10.484 539 1HD1 ILE 71 1HD1 ILE 71 16.521 10.402 8.028 540 2HD1 ILE 71 2HD1 ILE 71 16.956 11.963 8.725 541 3HD1 ILE 71 3HD1 ILE 71 16.747 10.558 9.771 542 H LYS 72 H LYS 72 20.181 7.984 5.861 543 HA LYS 72 HA LYS 72 21.626 10.394 4.934 544 1HB LYS 72 2HB LYS 72 22.957 8.188 4.970 545 2HB LYS 72 1HB LYS 72 21.918 7.694 3.632 546 1HG LYS 72 2HG LYS 72 22.625 9.592 2.302 547 2HG LYS 72 1HG LYS 72 23.528 10.262 3.661 548 1HD LYS 72 2HD LYS 72 25.117 9.154 2.226 549 2HD LYS 72 1HD LYS 72 24.917 8.147 3.661 550 1HE LYS 72 2HE LYS 72 23.590 6.569 2.517 551 2HE LYS 72 1HE LYS 72 23.232 7.689 1.203 552 1HZ LYS 72 1HZ LYS 72 25.447 5.916 1.521 553 2HZ LYS 72 2HZ LYS 72 25.955 7.510 1.224 554 3HZ LYS 72 3HZ LYS 72 24.910 6.732 0.134 555 H ALA 73 H ALA 73 21.324 10.762 2.548 556 HA ALA 73 HA ALA 73 18.499 10.271 1.858 557 1HB ALA 73 1HB ALA 73 20.011 12.209 0.243 558 2HB ALA 73 2HB ALA 73 19.887 12.632 1.950 559 3HB ALA 73 3HB ALA 73 18.425 12.363 0.999 560 H LEU 74 H LEU 74 17.939 9.219 0.022 561 HA LEU 74 HA LEU 74 20.148 8.249 -1.690 562 1HB LEU 74 2HB LEU 74 17.460 6.914 -1.365 563 2HB LEU 74 1HB LEU 74 18.941 6.236 -2.042 564 HG LEU 74 HG LEU 74 18.657 7.134 0.838 565 1HD1 LEU 74 1HD1 LEU 74 17.241 5.108 0.035 566 2HD1 LEU 74 2HD1 LEU 74 18.263 4.894 1.456 567 3HD1 LEU 74 3HD1 LEU 74 18.788 4.275 -0.109 568 1HD2 LEU 74 1HD2 LEU 74 20.950 7.177 0.200 569 2HD2 LEU 74 2HD2 LEU 74 20.791 5.706 -0.760 570 3HD2 LEU 74 3HD2 LEU 74 20.731 5.622 1.001 571 H GLY 75 H GLY 75 19.278 7.590 -3.938 572 1HA GLY 75 2HA GLY 75 18.651 8.500 -5.978 573 2HA GLY 75 1HA GLY 75 17.064 8.497 -5.214 574 H LYS 76 H LYS 76 16.203 10.391 -5.896 575 HA LYS 76 HA LYS 76 17.793 12.838 -5.850 576 1HB LYS 76 2HB LYS 76 15.919 13.865 -6.964 577 2HB LYS 76 1HB LYS 76 16.216 12.305 -7.731 578 1HG LYS 76 2HG LYS 76 14.469 11.336 -6.148 579 2HG LYS 76 1HG LYS 76 14.055 12.999 -5.733 580 1HD LYS 76 2HD LYS 76 14.046 11.882 -8.551 581 2HD LYS 76 1HD LYS 76 12.609 12.077 -7.548 582 1HE LYS 76 2HE LYS 76 12.616 14.055 -8.807 583 2HE LYS 76 1HE LYS 76 13.410 14.551 -7.312 584 1HZ LYS 76 1HZ LYS 76 15.300 13.463 -9.110 585 2HZ LYS 76 2HZ LYS 76 15.247 15.017 -8.426 586 3HZ LYS 76 3HZ LYS 76 14.427 14.697 -9.880 587 H THR 77 H THR 77 16.081 11.102 -3.627 588 HA THR 77 HA THR 77 14.366 12.774 -2.295 589 HB THR 77 HB THR 77 16.433 10.997 -0.976 590 HG1 THR 77 1HG THR 77 15.355 9.675 -2.282 591 1HG2 THR 77 1HG2 THR 77 14.516 10.791 0.708 592 2HG2 THR 77 2HG2 THR 77 13.803 12.191 -0.092 593 3HG2 THR 77 3HG2 THR 77 15.378 12.329 0.689 594 H LYS 78 H LYS 78 14.554 14.771 -1.527 595 HA LYS 78 HA LYS 78 17.177 15.964 -1.148 596 1HB LYS 78 2HB LYS 78 15.208 17.147 -2.226 597 2HB LYS 78 1HB LYS 78 14.487 17.232 -0.618 598 1HG LYS 78 2HG LYS 78 15.625 19.249 -0.653 599 2HG LYS 78 1HG LYS 78 16.871 18.204 0.030 600 1HD LYS 78 2HD LYS 78 18.079 19.205 -1.674 601 2HD LYS 78 1HD LYS 78 17.454 17.794 -2.528 602 1HE LYS 78 2HE LYS 78 15.490 19.208 -3.248 603 2HE LYS 78 1HE LYS 78 16.323 20.604 -2.567 604 1HZ LYS 78 1HZ LYS 78 18.269 19.664 -4.036 605 2HZ LYS 78 2HZ LYS 78 17.084 20.691 -4.690 606 3HZ LYS 78 3HZ LYS 78 16.983 19.012 -4.930 607 H LEU 79 H LEU 79 18.198 16.167 0.741 608 HA LEU 79 HA LEU 79 16.646 15.721 3.222 609 1HB LEU 79 2HB LEU 79 18.106 13.823 2.816 610 2HB LEU 79 1HB LEU 79 19.487 14.894 2.580 611 HG LEU 79 HG LEU 79 19.308 15.680 4.895 612 1HD1 LEU 79 1HD1 LEU 79 17.040 15.613 5.459 613 2HD1 LEU 79 2HD1 LEU 79 17.671 14.227 6.348 614 3HD1 LEU 79 3HD1 LEU 79 16.827 13.984 4.819 615 1HD2 LEU 79 1HD2 LEU 79 19.343 12.680 4.484 616 2HD2 LEU 79 2HD2 LEU 79 19.712 13.425 6.039 617 3HD2 LEU 79 3HD2 LEU 79 20.724 13.768 4.636 618 H GLU 80 H GLU 80 16.745 17.287 4.707 619 HA GLU 80 HA GLU 80 19.046 19.068 4.853 620 1HB GLU 80 2HB GLU 80 17.595 21.100 4.722 621 2HB GLU 80 1HB GLU 80 17.711 20.222 3.197 622 1HG GLU 80 2HG GLU 80 15.569 19.078 3.713 623 2HG GLU 80 1HG GLU 80 15.443 20.021 5.197 624 H GLN 81 H GLN 81 19.119 20.283 6.805 625 HA GLN 81 HA GLN 81 17.386 19.163 8.916 626 1HB GLN 81 2HB GLN 81 19.873 18.805 9.081 627 2HB GLN 81 1HB GLN 81 20.051 20.551 9.255 628 1HG GLN 81 2HG GLN 81 18.630 20.526 11.249 629 2HG GLN 81 1HG GLN 81 18.364 18.794 11.060 630 1HE2 GLN 81 1HE2 GLN 81 19.458 19.504 13.466 631 2HE2 GLN 81 2HE2 GLN 81 21.115 19.138 13.515 632 H GLN 82 H GLN 82 16.557 20.549 10.542 633 HA GLN 82 HA GLN 82 16.212 23.333 9.622 634 1HB GLN 82 2HB GLN 82 14.500 22.151 11.760 635 2HB GLN 82 1HB GLN 82 14.083 23.309 10.496 636 1HG GLN 82 2HG GLN 82 14.541 20.334 10.162 637 2HG GLN 82 1HG GLN 82 13.024 21.204 9.951 638 1HE2 GLN 82 1HE2 GLN 82 15.469 19.832 8.179 639 2HE2 GLN 82 2HE2 GLN 82 15.389 20.804 6.790 640 H GLU 83 H GLU 83 15.864 24.928 11.448 641 HA GLU 83 HA GLU 83 18.173 25.013 13.080 642 1HB GLU 83 2HB GLU 83 16.843 26.998 12.275 643 2HB GLU 83 1HB GLU 83 15.626 26.591 13.486 644 1HG GLU 83 2HG GLU 83 17.080 28.232 14.476 645 2HG GLU 83 1HG GLU 83 17.463 26.683 15.224 646 H ASN 84 H ASN 84 14.842 24.033 13.695 647 HA ASN 84 HA ASN 84 14.939 23.864 16.494 648 1HB ASN 84 2HB ASN 84 13.118 22.138 16.196 649 2HB ASN 84 1HB ASN 84 12.822 23.679 15.391 650 1HD2 ASN 84 1HD2 ASN 84 14.730 20.744 14.482 651 2HD2 ASN 84 2HD2 ASN 84 14.007 20.580 12.956 652 H GLY 85 H GLY 85 16.306 21.838 14.031 653 1HA GLY 85 2HA GLY 85 18.121 20.359 14.497 654 2HA GLY 85 1HA GLY 85 17.492 20.147 16.128 655 H GLU 86 H GLU 86 16.077 19.815 12.866 656 HA GLU 86 HA GLU 86 15.535 16.980 13.441 657 1HB GLU 86 2HB GLU 86 13.487 19.006 12.514 658 2HB GLU 86 1HB GLU 86 13.235 17.261 12.505 659 1HG GLU 86 2HG GLU 86 13.673 17.209 14.952 660 2HG GLU 86 1HG GLU 86 13.833 18.964 14.940 661 H TRP 87 H TRP 87 15.289 15.674 11.584 662 HA TRP 87 HA TRP 87 16.439 16.875 9.149 663 1HB TRP 87 2HB TRP 87 16.325 14.030 10.160 664 2HB TRP 87 1HB TRP 87 16.836 14.446 8.524 665 HD1 TRP 87 HD TRP 87 17.990 14.433 12.101 666 HE1 TRP 87 1HE TRP 87 20.423 15.276 12.232 667 HE3 TRP 87 3HE TRP 87 18.591 16.142 7.327 668 HZ2 TRP 87 2HZ TRP 87 22.369 16.508 10.535 669 HZ3 TRP 87 3HZ TRP 87 20.744 17.137 6.608 670 HH2 TRP 87 HH TRP 87 22.632 17.323 8.206 671 H VAL 88 H VAL 88 15.447 16.666 7.165 672 HA VAL 88 HA VAL 88 12.757 15.444 7.147 673 HB VAL 88 HB VAL 88 13.564 18.121 5.988 674 1HG1 VAL 88 1HG1 VAL 88 12.081 17.124 4.408 675 2HG1 VAL 88 2HG1 VAL 88 11.070 18.173 5.401 676 3HG1 VAL 88 3HG1 VAL 88 11.075 16.431 5.680 677 1HG2 VAL 88 1HG2 VAL 88 11.470 17.387 8.058 678 2HG2 VAL 88 2HG2 VAL 88 11.925 19.013 7.550 679 3HG2 VAL 88 3HG2 VAL 88 13.070 18.018 8.449 680 H ALA 89 H ALA 89 12.378 14.125 5.472 681 HA ALA 89 HA ALA 89 14.043 14.372 3.054 682 1HB ALA 89 1HB ALA 89 14.462 11.998 2.992 683 2HB ALA 89 2HB ALA 89 13.450 11.735 4.412 684 3HB ALA 89 3HB ALA 89 14.979 12.599 4.567 685 H SER 90 H SER 90 12.572 14.877 1.547 686 HA SER 90 HA SER 90 10.071 13.297 1.469 687 1HB SER 90 2HB SER 90 8.911 15.212 0.628 688 2HB SER 90 1HB SER 90 9.812 15.747 2.044 689 HG SER 90 HG SER 90 10.704 17.127 0.746 690 H VAL 91 H VAL 91 9.406 12.492 -0.493 691 HA VAL 91 HA VAL 91 10.667 13.249 -2.969 692 HB VAL 91 HB VAL 91 12.345 11.702 -1.851 693 1HG1 VAL 91 1HG1 VAL 91 11.834 9.365 -1.701 694 2HG1 VAL 91 2HG1 VAL 91 10.304 9.579 -2.552 695 3HG1 VAL 91 3HG1 VAL 91 10.500 10.211 -0.917 696 1HG2 VAL 91 1HG2 VAL 91 12.506 12.005 -4.214 697 2HG2 VAL 91 2HG2 VAL 91 11.053 11.049 -4.508 698 3HG2 VAL 91 3HG2 VAL 91 12.533 10.260 -3.962 699 H VAL 92 H VAL 92 9.406 12.717 -4.691 700 HA VAL 92 HA VAL 92 6.888 11.333 -4.081 701 HB VAL 92 HB VAL 92 7.686 13.023 -6.463 702 1HG1 VAL 92 1HG1 VAL 92 5.093 11.686 -5.654 703 2HG1 VAL 92 2HG1 VAL 92 5.997 11.463 -7.153 704 3HG1 VAL 92 3HG1 VAL 92 5.172 12.990 -6.838 705 1HG2 VAL 92 1HG2 VAL 92 6.039 13.571 -3.978 706 2HG2 VAL 92 2HG2 VAL 92 6.012 14.608 -5.405 707 3HG2 VAL 92 3HG2 VAL 92 7.507 14.403 -4.493 708 H VAL 93 H VAL 93 6.303 9.448 -5.014 709 HA VAL 93 HA VAL 93 8.195 8.257 -6.953 710 HB VAL 93 HB VAL 93 6.466 6.806 -4.935 711 1HG1 VAL 93 1HG1 VAL 93 8.673 5.885 -6.803 712 2HG1 VAL 93 2HG1 VAL 93 6.958 5.499 -6.952 713 3HG1 VAL 93 3HG1 VAL 93 7.888 4.875 -5.589 714 1HG2 VAL 93 1HG2 VAL 93 8.353 8.198 -3.968 715 2HG2 VAL 93 2HG2 VAL 93 9.471 7.213 -4.913 716 3HG2 VAL 93 3HG2 VAL 93 8.483 6.466 -3.656 717 H TYR 94 H TYR 94 7.389 7.653 -8.869 718 HA TYR 94 HA TYR 94 4.529 8.018 -9.348 719 1HB TYR 94 2HB TYR 94 6.844 7.487 -11.223 720 2HB TYR 94 1HB TYR 94 5.174 7.720 -11.740 721 HD1 TYR 94 1HD TYR 94 4.005 9.879 -10.628 722 HD2 TYR 94 2HD TYR 94 8.228 9.358 -11.219 723 HE1 TYR 94 1HE TYR 94 4.321 12.337 -10.533 724 HE2 TYR 94 2HE TYR 94 8.544 11.816 -11.128 725 HH TYR 94 HH TYR 94 6.306 13.975 -11.598 726 HA PRO 95 HA PRO 95 3.361 3.797 -9.382 727 1HB PRO 95 2HB PRO 95 2.052 4.226 -12.011 728 2HB PRO 95 1HB PRO 95 1.345 3.714 -10.467 729 1HG PRO 95 2HG PRO 95 0.917 6.148 -11.436 730 2HG PRO 95 1HG PRO 95 1.124 5.868 -9.699 731 1HD PRO 95 2HD PRO 95 3.079 7.015 -11.669 732 2HD PRO 95 1HD PRO 95 2.770 7.487 -9.982 733 H CYS 96 H CYS 96 3.803 1.760 -10.344 734 HA CYS 96 HA CYS 96 5.052 0.246 -11.534 735 1HB CYS 96 2HB CYS 96 5.058 2.255 -13.783 736 2HB CYS 96 1HB CYS 96 5.120 0.496 -13.891 737 HG CYS 96 HG CYS 96 2.579 2.176 -13.462 738 H GLU 97 H GLU 97 6.275 2.739 -10.147 739 HA GLU 97 HA GLU 97 9.004 2.237 -11.135 740 1HB GLU 97 2HB GLU 97 7.698 4.926 -10.719 741 2HB GLU 97 1HB GLU 97 9.449 4.719 -10.728 742 1HG GLU 97 2HG GLU 97 7.664 3.750 -12.971 743 2HG GLU 97 1HG GLU 97 8.430 5.338 -12.970 744 H THR 98 H THR 98 10.584 2.252 -9.563 745 HA THR 98 HA THR 98 9.689 2.757 -6.791 746 HB THR 98 HB THR 98 11.676 0.603 -7.460 747 HG1 THR 98 1HG THR 98 10.132 -0.533 -8.270 748 1HG2 THR 98 1HG2 THR 98 9.818 1.247 -5.165 749 2HG2 THR 98 2HG2 THR 98 11.579 1.164 -5.144 750 3HG2 THR 98 3HG2 THR 98 10.629 -0.312 -5.318 751 H GLU 99 H GLU 99 10.921 4.176 -5.740 752 HA GLU 99 HA GLU 99 13.658 4.669 -6.752 753 1HB GLU 99 2HB GLU 99 11.752 6.674 -5.521 754 2HB GLU 99 1HB GLU 99 13.379 7.012 -6.111 755 1HG GLU 99 2HG GLU 99 12.678 6.255 -8.379 756 2HG GLU 99 1HG GLU 99 11.040 6.030 -7.770 757 H MET 100 H MET 100 15.134 5.604 -5.106 758 HA MET 100 HA MET 100 14.900 4.111 -2.621 759 1HB MET 100 2HB MET 100 17.110 5.980 -3.505 760 2HB MET 100 1HB MET 100 17.190 4.761 -2.233 761 1HG MET 100 2HG MET 100 16.761 4.221 -5.186 762 2HG MET 100 1HG MET 100 18.243 3.912 -4.281 763 1HE MET 100 1HE MET 100 17.659 1.151 -1.973 764 2HE MET 100 2HE MET 100 16.878 2.609 -1.365 765 3HE MET 100 3HE MET 100 18.387 2.736 -2.264 766 H PHE 101 H PHE 101 15.123 5.082 -0.532 767 HA PHE 101 HA PHE 101 14.090 7.854 -0.440 768 1HB PHE 101 2HB PHE 101 12.496 6.143 0.388 769 2HB PHE 101 1HB PHE 101 13.689 5.640 1.586 770 HD1 PHE 101 1HD PHE 101 12.759 6.304 3.655 771 HD2 PHE 101 2HD PHE 101 12.843 9.071 0.372 772 HE1 PHE 101 1HE PHE 101 11.968 8.111 5.158 773 HE2 PHE 101 2HE PHE 101 12.060 10.880 1.877 774 HZ PHE 101 HZ PHE 101 11.616 10.399 4.268 775 H ILE 102 H ILE 102 14.936 6.342 2.503 776 HA ILE 102 HA ILE 102 17.497 7.821 2.578 777 HB ILE 102 HB ILE 102 17.062 8.419 4.877 778 1HG1 ILE 102 2HG1 ILE 102 14.625 7.838 5.687 779 2HG1 ILE 102 1HG1 ILE 102 14.751 6.532 4.508 780 1HG2 ILE 102 1HG2 ILE 102 14.727 8.936 3.017 781 2HG2 ILE 102 2HG2 ILE 102 16.130 9.970 3.287 782 3HG2 ILE 102 3HG2 ILE 102 14.932 9.756 4.563 783 1HD1 ILE 102 1HD1 ILE 102 16.121 5.348 5.849 784 2HD1 ILE 102 2HD1 ILE 102 15.746 6.506 7.125 785 3HD1 ILE 102 3HD1 ILE 102 17.169 6.742 6.109 786 H GLU 103 H GLU 103 19.093 6.962 4.057 787 HA GLU 103 HA GLU 103 18.678 4.144 4.817 788 1HB GLU 103 2HB GLU 103 19.855 4.082 2.691 789 2HB GLU 103 1HB GLU 103 21.046 5.242 3.284 790 1HG GLU 103 2HG GLU 103 21.833 3.674 4.953 791 2HG GLU 103 1HG GLU 103 20.544 2.538 4.555 792 H GLY 104 H GLY 104 20.117 3.389 6.477 793 1HA GLY 104 2HA GLY 104 22.015 3.955 7.970 794 2HA GLY 104 1HA GLY 104 21.336 5.577 8.059 795 H ARG 105 H ARG 105 21.347 5.236 10.394 796 HA ARG 105 HA ARG 105 19.418 3.304 11.441 797 1HB ARG 105 2HB ARG 105 21.640 3.664 12.545 798 2HB ARG 105 1HB ARG 105 21.118 5.299 12.953 799 1HG ARG 105 2HG ARG 105 19.163 4.347 14.161 800 2HG ARG 105 1HG ARG 105 19.759 2.726 13.808 801 1HD ARG 105 2HD ARG 105 21.276 4.842 15.360 802 2HD ARG 105 1HD ARG 105 20.428 3.474 16.075 803 HE ARG 105 HE ARG 105 22.305 2.592 14.114 804 1HH1 ARG 105 1HH2 ARG 105 21.995 3.845 17.324 805 2HH1 ARG 105 2HH2 ARG 105 23.443 3.093 17.906 806 1HH2 ARG 105 1HH1 ARG 105 24.206 1.603 14.869 807 2HH2 ARG 105 2HH1 ARG 105 24.694 1.823 16.516 808 H VAL 106 H VAL 106 17.481 3.829 12.361 809 HA VAL 106 HA VAL 106 16.653 6.660 12.126 810 HB VAL 106 HB VAL 106 14.774 4.305 12.176 811 1HG1 VAL 106 1HG1 VAL 106 13.200 5.842 11.321 812 2HG1 VAL 106 2HG1 VAL 106 14.453 6.970 10.799 813 3HG1 VAL 106 3HG1 VAL 106 14.092 6.785 12.515 814 1HG2 VAL 106 1HG2 VAL 106 16.147 3.791 10.306 815 2HG2 VAL 106 2HG2 VAL 106 16.323 5.489 9.866 816 3HG2 VAL 106 3HG2 VAL 106 14.781 4.671 9.621 817 H ASN 107 H ASN 107 15.961 7.694 13.895 818 HA ASN 107 HA ASN 107 15.175 6.134 16.265 819 1HB ASN 107 2HB ASN 107 17.371 6.581 16.902 820 2HB ASN 107 1HB ASN 107 17.402 8.135 16.071 821 1HD2 ASN 107 1HD2 ASN 107 17.847 9.521 17.849 822 2HD2 ASN 107 2HD2 ASN 107 16.830 9.657 19.201 823 H GLY 108 H GLY 108 13.249 6.828 16.926 824 1HA GLY 108 2HA GLY 108 11.356 8.149 17.090 825 2HA GLY 108 1HA GLY 108 12.504 9.354 17.668 826 H PHE 109 H PHE 109 10.489 8.354 15.053 827 HA PHE 109 HA PHE 109 11.038 10.880 13.671 828 1HB PHE 109 2HB PHE 109 11.219 9.736 11.489 829 2HB PHE 109 1HB PHE 109 12.526 9.273 12.579 830 HD1 PHE 109 1HD PHE 109 12.276 7.114 13.930 831 HD2 PHE 109 2HD PHE 109 9.742 8.111 10.608 832 HE1 PHE 109 1HE PHE 109 11.605 4.735 13.728 833 HE2 PHE 109 2HE PHE 109 9.070 5.732 10.407 834 HZ PHE 109 HZ PHE 109 10.001 4.044 11.967 835 H LYS 110 H LYS 110 9.374 11.474 12.158 836 HA LYS 110 HA LYS 110 6.801 10.114 12.691 837 1HB LYS 110 2HB LYS 110 7.213 12.997 11.873 838 2HB LYS 110 1HB LYS 110 5.706 12.239 12.389 839 1HG LYS 110 2HG LYS 110 6.308 13.123 14.417 840 2HG LYS 110 1HG LYS 110 7.254 11.639 14.519 841 1HD LYS 110 2HD LYS 110 8.882 13.234 14.993 842 2HD LYS 110 1HD LYS 110 9.072 13.066 13.246 843 1HE LYS 110 2HE LYS 110 7.416 14.986 13.005 844 2HE LYS 110 1HE LYS 110 7.585 15.237 14.742 845 1HZ LYS 110 1HZ LYS 110 9.097 16.592 13.301 846 2HZ LYS 110 2HZ LYS 110 9.898 15.152 12.891 847 3HZ LYS 110 3HZ LYS 110 9.874 15.684 14.504 848 H SER 111 H SER 111 5.651 9.367 11.002 849 HA SER 111 HA SER 111 6.731 9.884 8.301 850 1HB SER 111 2HB SER 111 5.145 7.495 9.260 851 2HB SER 111 1HB SER 111 5.868 7.702 7.667 852 HG SER 111 HG SER 111 6.990 6.874 9.989 853 H LYS 112 H LYS 112 5.445 10.732 6.781 854 HA LYS 112 HA LYS 112 2.530 10.728 7.195 855 1HB LYS 112 2HB LYS 112 3.549 12.909 7.989 856 2HB LYS 112 1HB LYS 112 4.044 13.193 6.320 857 1HG LYS 112 2HG LYS 112 1.981 14.255 6.324 858 2HG LYS 112 1HG LYS 112 1.501 12.634 5.816 859 1HD LYS 112 2HD LYS 112 -0.002 12.970 7.545 860 2HD LYS 112 1HD LYS 112 1.330 12.237 8.438 861 1HE LYS 112 2HE LYS 112 0.718 14.179 9.683 862 2HE LYS 112 1HE LYS 112 2.195 14.612 8.821 863 1HZ LYS 112 1HZ LYS 112 1.022 16.336 8.075 864 2HZ LYS 112 2HZ LYS 112 -0.465 15.657 8.537 865 3HZ LYS 112 3HZ LYS 112 0.242 15.230 7.053 866 H MET 113 H MET 113 1.579 9.930 5.435 867 HA MET 113 HA MET 113 2.837 10.416 2.806 868 1HB MET 113 2HB MET 113 1.702 7.812 3.844 869 2HB MET 113 1HB MET 113 2.144 8.103 2.161 870 1HG MET 113 2HG MET 113 4.458 8.691 2.939 871 2HG MET 113 1HG MET 113 3.988 8.198 4.564 872 1HE MET 113 1HE MET 113 3.693 4.584 4.673 873 2HE MET 113 2HE MET 113 2.234 5.478 4.253 874 3HE MET 113 3HE MET 113 3.407 6.188 5.360 875 H ASP 114 H ASP 114 1.357 10.169 0.986 876 HA ASP 114 HA ASP 114 -1.496 10.207 1.526 877 1HB ASP 114 2HB ASP 114 -0.569 12.584 1.892 878 2HB ASP 114 1HB ASP 114 -0.318 12.614 0.148 879 H ALA 115 H ALA 115 -2.716 10.561 -0.600 880 HA ALA 115 HA ALA 115 -1.149 9.480 -2.863 881 1HB ALA 115 1HB ALA 115 -3.124 8.131 -3.486 882 2HB ALA 115 2HB ALA 115 -3.946 8.681 -2.026 883 3HB ALA 115 3HB ALA 115 -2.498 7.682 -1.899 884 H LEU 116 H LEU 116 -0.969 11.464 -3.891 885 HA LEU 116 HA LEU 116 -3.372 13.029 -4.426 886 1HB LEU 116 2HB LEU 116 -0.583 13.549 -5.458 887 2HB LEU 116 1HB LEU 116 -1.906 14.701 -5.277 888 HG LEU 116 HG LEU 116 -0.607 13.228 -2.966 889 1HD1 LEU 116 1HD1 LEU 116 -0.283 16.153 -3.656 890 2HD1 LEU 116 2HD1 LEU 116 0.842 14.930 -4.246 891 3HD1 LEU 116 3HD1 LEU 116 0.652 15.190 -2.512 892 1HD2 LEU 116 1HD2 LEU 116 -2.711 15.382 -3.222 893 2HD2 LEU 116 2HD2 LEU 116 -1.789 15.172 -1.734 894 3HD2 LEU 116 3HD2 LEU 116 -2.803 13.861 -2.334 895 HA PRO 117 HA PRO 117 -3.911 11.499 -8.522 896 1HB PRO 117 2HB PRO 117 -4.725 14.050 -9.600 897 2HB PRO 117 1HB PRO 117 -5.750 12.711 -9.051 898 1HG PRO 117 2HG PRO 117 -5.621 15.111 -7.796 899 2HG PRO 117 1HG PRO 117 -6.011 13.590 -6.975 900 1HD PRO 117 2HD PRO 117 -3.360 15.032 -7.094 901 2HD PRO 117 1HD PRO 117 -4.190 14.335 -5.684 902 H LEU 118 H LEU 118 -2.632 11.090 -10.246 903 HA LEU 118 HA LEU 118 -0.157 12.299 -10.652 904 1HB LEU 118 2HB LEU 118 -1.845 10.846 -12.703 905 2HB LEU 118 1HB LEU 118 -0.106 11.122 -12.798 906 HG LEU 118 HG LEU 118 -1.284 9.745 -10.397 907 1HD1 LEU 118 1HD1 LEU 118 -0.472 8.417 -13.002 908 2HD1 LEU 118 2HD1 LEU 118 -2.124 8.547 -12.399 909 3HD1 LEU 118 3HD1 LEU 118 -0.936 7.584 -11.519 910 1HD2 LEU 118 1HD2 LEU 118 0.924 8.914 -10.125 911 2HD2 LEU 118 2HD2 LEU 118 1.145 10.592 -10.625 912 3HD2 LEU 118 3HD2 LEU 118 1.358 9.288 -11.794 913 H SER 119 H SER 119 0.180 14.373 -11.137 914 HA SER 119 HA SER 119 -1.738 15.889 -12.703 915 1HB SER 119 2HB SER 119 0.771 16.531 -11.196 916 2HB SER 119 1HB SER 119 0.154 17.675 -12.383 917 HG SER 119 HG SER 119 -0.717 18.057 -10.308 918 H GLU 120 H GLU 120 -0.379 17.559 -14.242 919 HA GLU 120 HA GLU 120 0.203 16.125 -16.571 920 1HB GLU 120 2HB GLU 120 -0.407 18.478 -16.645 921 2HB GLU 120 1HB GLU 120 1.060 18.915 -15.768 922 1HG GLU 120 2HG GLU 120 1.339 19.281 -18.192 923 2HG GLU 120 1HG GLU 120 2.435 18.029 -17.611 924 H GLU 121 H GLU 121 2.246 17.095 -13.904 925 HA GLU 121 HA GLU 121 4.773 16.836 -15.079 926 1HB GLU 121 2HB GLU 121 3.894 16.220 -12.247 927 2HB GLU 121 1HB GLU 121 5.573 16.372 -12.768 928 1HG GLU 121 2HG GLU 121 5.107 18.684 -13.538 929 2HG GLU 121 1HG GLU 121 3.452 18.530 -12.953 930 H TYR 122 H TYR 122 2.595 14.404 -13.726 931 HA TYR 122 HA TYR 122 4.380 12.217 -13.791 932 1HB TYR 122 2HB TYR 122 2.388 11.922 -12.547 933 2HB TYR 122 1HB TYR 122 1.372 12.419 -13.901 934 HD1 TYR 122 1HD TYR 122 3.954 9.839 -13.029 935 HD2 TYR 122 2HD TYR 122 0.384 10.772 -15.227 936 HE1 TYR 122 1HE TYR 122 3.818 7.487 -13.806 937 HE2 TYR 122 2HE TYR 122 0.242 8.419 -15.997 938 HH TYR 122 HH TYR 122 2.837 6.183 -15.550 939 H ARG 123 H ARG 123 2.040 13.425 -16.180 940 HA ARG 123 HA ARG 123 2.400 11.427 -18.117 941 1HB ARG 123 2HB ARG 123 1.695 14.353 -18.453 942 2HB ARG 123 1HB ARG 123 1.553 13.136 -19.722 943 1HG ARG 123 2HG ARG 123 0.051 11.818 -18.191 944 2HG ARG 123 1HG ARG 123 0.085 13.181 -17.071 945 1HD ARG 123 2HD ARG 123 -0.792 14.650 -18.876 946 2HD ARG 123 1HD ARG 123 -0.898 13.248 -19.937 947 HE ARG 123 HE ARG 123 -2.857 12.677 -18.848 948 1HH1 ARG 123 1HH2 ARG 123 -0.928 14.757 -16.867 949 2HH1 ARG 123 2HH2 ARG 123 -2.115 14.893 -15.614 950 1HH2 ARG 123 1HH1 ARG 123 -4.419 12.850 -17.210 951 2HH2 ARG 123 2HH1 ARG 123 -4.092 13.812 -15.808 952 H GLN 124 H GLN 124 4.128 14.471 -17.569 953 HA GLN 124 HA GLN 124 5.795 14.321 -19.857 954 1HB GLN 124 2HB GLN 124 5.406 16.373 -18.458 955 2HB GLN 124 1HB GLN 124 6.437 15.655 -17.219 956 1HG GLN 124 2HG GLN 124 8.272 15.479 -18.893 957 2HG GLN 124 1HG GLN 124 7.244 16.293 -20.071 958 1HE2 GLN 124 1HE2 GLN 124 9.732 16.930 -17.991 959 2HE2 GLN 124 2HE2 GLN 124 9.396 18.555 -17.632 960 H HIS 125 H HIS 125 6.106 13.095 -16.561 961 HA HIS 125 HA HIS 125 8.798 12.308 -16.642 962 1HB HIS 125 2HB HIS 125 7.934 12.150 -14.512 963 2HB HIS 125 1HB HIS 125 6.398 11.483 -15.068 964 HD1 HIS 125 1HD HIS 125 9.890 10.507 -14.135 965 HD2 HIS 125 2HD HIS 125 6.418 8.655 -15.511 966 HE1 HIS 125 1HE HIS 125 10.253 8.015 -13.867 967 HE2 HIS 125 2HE HIS 125 8.145 6.871 -14.702 968 H GLN 126 H GLN 126 5.851 10.622 -17.654 969 HA GLN 126 HA GLN 126 6.811 8.093 -18.166 970 1HB GLN 126 2HB GLN 126 4.846 9.714 -19.801 971 2HB GLN 126 1HB GLN 126 5.083 7.973 -19.958 972 1HG GLN 126 2HG GLN 126 4.456 7.657 -17.604 973 2HG GLN 126 1HG GLN 126 4.257 9.399 -17.412 974 1HE2 GLN 126 1HE2 GLN 126 2.108 7.463 -17.022 975 2HE2 GLN 126 2HE2 GLN 126 0.931 7.780 -18.202 976 H ALA 127 H ALA 127 7.625 11.041 -19.752 977 HA ALA 127 HA ALA 127 8.418 10.092 -22.279 978 1HB ALA 127 1HB ALA 127 9.758 12.329 -20.751 979 2HB ALA 127 2HB ALA 127 8.196 12.511 -21.549 980 3HB ALA 127 3HB ALA 127 9.634 12.137 -22.499 981 H GLU 128 H GLU 128 9.983 10.010 -19.148 982 HA GLU 128 HA GLU 128 12.594 9.347 -20.124 983 1HB GLU 128 2HB GLU 128 13.199 9.076 -17.858 984 2HB GLU 128 1HB GLU 128 11.968 10.339 -17.833 985 1HG GLU 128 2HG GLU 128 11.179 8.944 -16.154 986 2HG GLU 128 1HG GLU 128 10.320 8.292 -17.549 987 H LYS 129 H LYS 129 9.711 7.554 -19.327 988 HA LYS 129 HA LYS 129 10.798 4.997 -18.938 989 1HB LYS 129 2HB LYS 129 8.155 5.742 -20.215 990 2HB LYS 129 1HB LYS 129 8.575 4.159 -19.561 991 1HG LYS 129 2HG LYS 129 8.847 6.588 -17.817 992 2HG LYS 129 1HG LYS 129 7.253 5.872 -18.064 993 1HD LYS 129 2HD LYS 129 9.526 4.054 -17.374 994 2HD LYS 129 1HD LYS 129 8.829 5.042 -16.090 995 1HE LYS 129 2HE LYS 129 6.611 4.141 -16.540 996 2HE LYS 129 1HE LYS 129 7.225 3.236 -17.923 997 1HZ LYS 129 1HZ LYS 129 8.795 2.642 -15.673 998 2HZ LYS 129 2HZ LYS 129 7.802 1.600 -16.577 999 3HZ LYS 129 3HZ LYS 129 7.164 2.449 -15.250 1000 H ASP 130 H ASP 130 9.923 6.726 -21.897 1001 HA ASP 130 HA ASP 130 11.741 5.141 -23.458 1002 1HB ASP 130 2HB ASP 130 9.722 3.649 -23.275 1003 2HB ASP 130 1HB ASP 130 8.802 4.891 -24.123 1004 H LYS 131 H LYS 131 11.724 5.827 -25.765 1005 HA LYS 131 HA LYS 131 10.271 8.119 -26.614 1006 1HB LYS 131 2HB LYS 131 11.825 9.114 -24.873 1007 2HB LYS 131 1HB LYS 131 13.161 8.679 -25.939 1008 1HG LYS 131 2HG LYS 131 12.721 10.851 -26.650 1009 2HG LYS 131 1HG LYS 131 11.715 9.922 -27.762 1010 1HD LYS 131 2HD LYS 131 9.753 10.289 -26.364 1011 2HD LYS 131 1HD LYS 131 10.734 11.112 -25.151 1012 1HE LYS 131 2HE LYS 131 11.321 12.847 -26.819 1013 2HE LYS 131 1HE LYS 131 10.301 12.038 -28.007 1014 1HZ LYS 131 1HZ LYS 131 9.372 13.118 -25.401 1015 2HZ LYS 131 2HZ LYS 131 8.399 12.375 -26.578 1016 3HZ LYS 131 3HZ LYS 131 9.146 13.865 -26.907 Start of MODEL 13 1 H MET 1 1H MET 1 8.658 -19.260 18.339 2 HA MET 1 HA MET 1 7.141 -20.508 17.247 3 1HB MET 1 2HB MET 1 7.190 -17.932 15.644 4 2HB MET 1 1HB MET 1 5.836 -19.060 15.707 5 1HG MET 1 2HG MET 1 5.286 -17.432 17.329 6 2HG MET 1 1HG MET 1 5.963 -18.757 18.275 7 1HE MET 1 1HE MET 1 7.175 -17.950 20.307 8 2HE MET 1 2HE MET 1 5.921 -16.748 20.009 9 3HE MET 1 3HE MET 1 7.537 -16.227 20.479 10 H GLY 2 H GLY 2 7.110 -22.164 15.857 11 1HA GLY 2 2HA GLY 2 9.122 -22.696 14.005 12 2HA GLY 2 1HA GLY 2 7.547 -23.484 14.022 13 H CYS 3 H CYS 3 6.063 -21.009 13.610 14 HA CYS 3 HA CYS 3 5.084 -19.993 11.782 15 1HB CYS 3 2HB CYS 3 7.948 -19.375 11.041 16 2HB CYS 3 1HB CYS 3 6.510 -18.424 10.670 17 HG CYS 3 HG CYS 3 6.400 -17.600 13.064 18 H GLY 4 H GLY 4 5.126 -22.631 11.297 19 1HA GLY 4 2HA GLY 4 6.537 -23.613 9.107 20 2HA GLY 4 1HA GLY 4 4.929 -24.153 9.582 21 H ALA 5 H ALA 5 3.749 -21.487 9.232 22 HA ALA 5 HA ALA 5 4.036 -20.993 6.357 23 1HB ALA 5 1HB ALA 5 1.392 -21.695 7.657 24 2HB ALA 5 2HB ALA 5 2.286 -22.718 6.532 25 3HB ALA 5 3HB ALA 5 1.615 -21.182 5.984 26 H SER 6 H SER 6 3.026 -19.001 5.672 27 HA SER 6 HA SER 6 3.352 -16.898 7.566 28 1HB SER 6 2HB SER 6 3.765 -16.622 5.139 29 2HB SER 6 1HB SER 6 2.042 -16.821 4.837 30 HG SER 6 HG SER 6 3.001 -14.593 5.126 31 H SER 7 H SER 7 1.850 -15.639 8.611 32 HA SER 7 HA SER 7 -0.693 -16.865 9.169 33 1HB SER 7 2HB SER 7 -0.975 -15.142 10.790 34 2HB SER 7 1HB SER 7 0.736 -15.564 10.820 35 HG SER 7 HG SER 7 -0.236 -13.524 9.134 36 H GLU 8 H GLU 8 -2.747 -15.651 9.032 37 HA GLU 8 HA GLU 8 -2.981 -14.398 6.396 38 1HB GLU 8 2HB GLU 8 -5.102 -15.306 8.358 39 2HB GLU 8 1HB GLU 8 -5.407 -14.694 6.732 40 1HG GLU 8 2HG GLU 8 -4.015 -16.536 5.806 41 2HG GLU 8 1HG GLU 8 -3.807 -17.171 7.437 42 H ASN 9 H ASN 9 -4.161 -12.427 6.094 43 HA ASN 9 HA ASN 9 -4.554 -10.205 6.524 44 1HB ASN 9 2HB ASN 9 -5.212 -11.243 9.291 45 2HB ASN 9 1HB ASN 9 -5.695 -9.684 8.623 46 1HD2 ASN 9 1HD2 ASN 9 -7.230 -12.313 9.421 47 2HD2 ASN 9 2HD2 ASN 9 -8.249 -12.565 8.086 48 H SER 10 H SER 10 -1.888 -10.922 6.635 49 HA SER 10 HA SER 10 -0.830 -8.818 8.303 50 1HB SER 10 2HB SER 10 -0.740 -10.372 10.051 51 2HB SER 10 1HB SER 10 -0.368 -11.712 8.970 52 HG SER 10 HG SER 10 1.291 -9.584 9.820 53 H SER 11 H SER 11 -0.445 -11.383 5.979 54 HA SER 11 HA SER 11 2.274 -10.876 5.295 55 1HB SER 11 2HB SER 11 0.819 -12.943 4.750 56 2HB SER 11 1HB SER 11 0.228 -11.993 3.390 57 HG SER 11 HG SER 11 2.025 -13.167 2.742 58 H VAL 12 H VAL 12 2.094 -10.650 2.476 59 HA VAL 12 HA VAL 12 0.929 -7.969 2.085 60 HB VAL 12 HB VAL 12 3.681 -8.758 1.114 61 1HG1 VAL 12 1HG1 VAL 12 2.396 -7.000 -0.144 62 2HG1 VAL 12 2HG1 VAL 12 3.883 -6.397 0.589 63 3HG1 VAL 12 3HG1 VAL 12 2.327 -6.055 1.343 64 1HG2 VAL 12 1HG2 VAL 12 3.806 -8.653 3.519 65 2HG2 VAL 12 2HG2 VAL 12 2.805 -7.201 3.563 66 3HG2 VAL 12 3HG2 VAL 12 4.440 -7.127 2.906 67 H THR 13 H THR 13 0.061 -7.606 0.091 68 HA THR 13 HA THR 13 0.434 -9.685 -1.970 69 HB THR 13 HB THR 13 -1.710 -10.033 -0.698 70 HG1 THR 13 1HG THR 13 -2.234 -10.818 -2.553 71 1HG2 THR 13 1HG2 THR 13 -2.051 -7.518 -0.392 72 2HG2 THR 13 2HG2 THR 13 -3.476 -8.442 -0.866 73 3HG2 THR 13 3HG2 THR 13 -2.601 -7.492 -2.067 74 H TYR 14 H TYR 14 -0.013 -8.980 -4.133 75 HA TYR 14 HA TYR 14 -0.029 -6.043 -4.469 76 1HB TYR 14 2HB TYR 14 1.653 -8.043 -6.002 77 2HB TYR 14 1HB TYR 14 1.560 -6.313 -6.338 78 HD1 TYR 14 1HD TYR 14 2.687 -8.866 -3.910 79 HD2 TYR 14 2HD TYR 14 2.643 -4.689 -4.910 80 HE1 TYR 14 1HE TYR 14 4.423 -8.436 -2.192 81 HE2 TYR 14 2HE TYR 14 4.380 -4.260 -3.192 82 HH TYR 14 HH TYR 14 6.281 -6.538 -1.893 83 H VAL 15 H VAL 15 -0.619 -5.411 -6.744 84 HA VAL 15 HA VAL 15 -2.408 -7.353 -8.044 85 HB VAL 15 HB VAL 15 -4.109 -6.263 -6.975 86 1HG1 VAL 15 1HG1 VAL 15 -2.673 -4.887 -5.567 87 2HG1 VAL 15 2HG1 VAL 15 -3.947 -3.874 -6.247 88 3HG1 VAL 15 3HG1 VAL 15 -2.320 -3.814 -6.923 89 1HG2 VAL 15 1HG2 VAL 15 -5.115 -4.677 -8.442 90 2HG2 VAL 15 2HG2 VAL 15 -4.122 -5.697 -9.484 91 3HG2 VAL 15 3HG2 VAL 15 -3.550 -4.097 -9.011 92 H ASN 16 H ASN 16 -1.272 -3.972 -8.272 93 HA ASN 16 HA ASN 16 -1.424 -3.906 -11.118 94 1HB ASN 16 2HB ASN 16 0.081 -2.133 -9.181 95 2HB ASN 16 1HB ASN 16 -0.159 -1.786 -10.893 96 1HD2 ASN 16 1HD2 ASN 16 -1.330 -0.789 -8.042 97 2HD2 ASN 16 2HD2 ASN 16 -2.964 -0.549 -8.433 98 H GLY 17 H GLY 17 0.999 -4.928 -8.845 99 1HA GLY 17 2HA GLY 17 2.525 -6.493 -10.417 100 2HA GLY 17 1HA GLY 17 3.161 -4.892 -10.785 101 H ARG 18 H ARG 18 5.041 -6.328 -9.803 102 HA ARG 18 HA ARG 18 5.089 -5.993 -6.872 103 1HB ARG 18 2HB ARG 18 7.148 -7.504 -8.462 104 2HB ARG 18 1HB ARG 18 6.685 -7.705 -6.771 105 1HG ARG 18 2HG ARG 18 4.926 -8.347 -9.158 106 2HG ARG 18 1HG ARG 18 5.779 -9.533 -8.169 107 1HD ARG 18 2HD ARG 18 3.541 -7.688 -7.319 108 2HD ARG 18 1HD ARG 18 3.538 -9.448 -7.332 109 HE ARG 18 HE ARG 18 4.594 -7.760 -5.263 110 1HH1 ARG 18 1HH2 ARG 18 4.946 -10.772 -6.929 111 2HH1 ARG 18 2HH2 ARG 18 5.703 -11.579 -5.596 112 1HH2 ARG 18 1HH1 ARG 18 5.586 -8.812 -3.510 113 2HH2 ARG 18 2HH1 ARG 18 6.065 -10.470 -3.662 114 HA PRO 19 HA PRO 19 7.687 -2.446 -7.042 115 1HB PRO 19 2HB PRO 19 9.195 -3.887 -4.896 116 2HB PRO 19 1HB PRO 19 8.576 -2.223 -4.918 117 1HG PRO 19 2HG PRO 19 7.353 -4.149 -3.542 118 2HG PRO 19 1HG PRO 19 6.450 -2.861 -4.353 119 1HD PRO 19 2HD PRO 19 6.681 -5.732 -5.086 120 2HD PRO 19 1HD PRO 19 5.380 -4.576 -5.445 121 H THR 20 H THR 20 9.628 -1.838 -7.974 122 HA THR 20 HA THR 20 11.106 -3.859 -9.391 123 HB THR 20 HB THR 20 11.703 -0.906 -9.096 124 HG1 THR 20 1HG THR 20 10.073 -0.653 -10.366 125 1HG2 THR 20 1HG2 THR 20 12.640 -3.066 -10.991 126 2HG2 THR 20 2HG2 THR 20 13.625 -2.036 -9.953 127 3HG2 THR 20 3HG2 THR 20 12.804 -1.347 -11.353 128 H PHE 21 H PHE 21 11.573 -1.936 -6.496 129 HA PHE 21 HA PHE 21 14.333 -2.858 -6.195 130 1HB PHE 21 2HB PHE 21 13.807 -0.522 -5.642 131 2HB PHE 21 1HB PHE 21 12.642 -1.067 -4.434 132 HD1 PHE 21 1HD PHE 21 16.247 -1.360 -5.395 133 HD2 PHE 21 2HD PHE 21 13.340 -1.531 -2.238 134 HE1 PHE 21 1HE PHE 21 18.070 -1.568 -3.728 135 HE2 PHE 21 2HE PHE 21 15.163 -1.738 -0.570 136 HZ PHE 21 HZ PHE 21 17.529 -1.756 -1.315 137 H VAL 22 H VAL 22 15.004 -4.355 -4.730 138 HA VAL 22 HA VAL 22 12.885 -5.804 -3.272 139 HB VAL 22 HB VAL 22 15.193 -7.344 -3.161 140 1HG1 VAL 22 1HG1 VAL 22 13.994 -8.757 -4.802 141 2HG1 VAL 22 2HG1 VAL 22 12.924 -7.405 -5.176 142 3HG1 VAL 22 3HG1 VAL 22 12.896 -8.134 -3.570 143 1HG2 VAL 22 1HG2 VAL 22 16.069 -7.395 -5.425 144 2HG2 VAL 22 2HG2 VAL 22 16.186 -5.740 -4.830 145 3HG2 VAL 22 3HG2 VAL 22 14.899 -6.185 -5.950 146 H GLY 23 H GLY 23 13.410 -6.633 -1.136 147 1HA GLY 23 2HA GLY 23 15.656 -5.459 0.285 148 2HA GLY 23 1HA GLY 23 14.075 -4.849 0.766 149 H GLU 24 H GLU 24 13.533 -5.773 2.641 150 HA GLU 24 HA GLU 24 13.508 -8.700 2.802 151 1HB GLU 24 2HB GLU 24 15.659 -7.850 3.822 152 2HB GLU 24 1HB GLU 24 14.675 -7.017 5.026 153 1HG GLU 24 2HG GLU 24 15.304 -9.140 5.971 154 2HG GLU 24 1HG GLU 24 13.596 -9.242 5.550 155 H GLU 25 H GLU 25 13.008 -5.943 5.017 156 HA GLU 25 HA GLU 25 10.492 -7.116 5.908 157 1HB GLU 25 2HB GLU 25 12.161 -6.075 7.489 158 2HB GLU 25 1HB GLU 25 11.750 -4.511 6.783 159 1HG GLU 25 2HG GLU 25 10.380 -4.790 8.745 160 2HG GLU 25 1HG GLU 25 9.334 -4.994 7.340 161 H VAL 26 H VAL 26 8.550 -6.540 5.170 162 HA VAL 26 HA VAL 26 8.320 -4.003 3.666 163 HB VAL 26 HB VAL 26 6.681 -6.472 3.104 164 1HG1 VAL 26 1HG1 VAL 26 7.335 -3.957 1.537 165 2HG1 VAL 26 2HG1 VAL 26 5.785 -4.346 2.284 166 3HG1 VAL 26 3HG1 VAL 26 6.374 -5.304 0.926 167 1HG2 VAL 26 1HG2 VAL 26 9.348 -5.608 1.955 168 2HG2 VAL 26 2HG2 VAL 26 8.267 -6.728 1.126 169 3HG2 VAL 26 3HG2 VAL 26 8.947 -7.157 2.695 170 H THR 27 H THR 27 6.760 -2.646 4.311 171 HA THR 27 HA THR 27 4.581 -3.683 6.004 172 HB THR 27 HB THR 27 5.649 -1.024 6.739 173 HG1 THR 27 1HG THR 27 7.288 -2.067 8.002 174 1HG2 THR 27 1HG2 THR 27 4.956 -1.691 8.904 175 2HG2 THR 27 2HG2 THR 27 5.020 -3.403 8.485 176 3HG2 THR 27 3HG2 THR 27 3.747 -2.379 7.821 177 H LYS 28 H LYS 28 2.626 -2.639 5.768 178 HA LYS 28 HA LYS 28 2.342 -1.023 3.374 179 1HB LYS 28 2HB LYS 28 -0.061 -1.243 3.774 180 2HB LYS 28 1HB LYS 28 0.724 -2.818 3.896 181 1HG LYS 28 2HG LYS 28 0.851 -2.473 6.391 182 2HG LYS 28 1HG LYS 28 -0.141 -1.029 6.183 183 1HD LYS 28 2HD LYS 28 -1.866 -2.466 5.043 184 2HD LYS 28 1HD LYS 28 -0.904 -3.877 5.487 185 1HE LYS 28 2HE LYS 28 -2.712 -3.448 7.131 186 2HE LYS 28 1HE LYS 28 -1.113 -3.301 7.863 187 1HZ LYS 28 1HZ LYS 28 -1.530 -1.202 8.373 188 2HZ LYS 28 2HZ LYS 28 -3.122 -1.397 7.810 189 3HZ LYS 28 3HZ LYS 28 -1.911 -0.824 6.765 190 H GLY 29 H GLY 29 1.957 1.122 3.281 191 1HA GLY 29 2HA GLY 29 2.375 2.707 5.652 192 2HA GLY 29 1HA GLY 29 2.089 3.314 4.023 193 H PHE 30 H PHE 30 -0.284 2.569 3.263 194 HA PHE 30 HA PHE 30 -2.081 3.882 5.141 195 1HB PHE 30 2HB PHE 30 -2.548 2.845 2.335 196 2HB PHE 30 1HB PHE 30 -3.695 3.796 3.278 197 HD1 PHE 30 1HD PHE 30 -3.219 6.156 3.842 198 HD2 PHE 30 2HD PHE 30 -0.581 3.856 1.350 199 HE1 PHE 30 1HE PHE 30 -2.106 8.243 3.094 200 HE2 PHE 30 2HE PHE 30 0.532 5.943 0.603 201 HZ PHE 30 HZ PHE 30 -0.231 8.136 1.474 202 H GLU 31 H GLU 31 -3.638 2.912 6.313 203 HA GLU 31 HA GLU 31 -3.652 0.020 6.460 204 1HB GLU 31 2HB GLU 31 -5.235 0.370 8.321 205 2HB GLU 31 1HB GLU 31 -3.782 1.351 8.513 206 1HG GLU 31 2HG GLU 31 -5.522 2.870 8.966 207 2HG GLU 31 1HG GLU 31 -5.124 3.198 7.281 208 H LYS 32 H LYS 32 -5.172 2.234 4.510 209 HA LYS 32 HA LYS 32 -7.658 0.664 4.297 210 1HB LYS 32 2HB LYS 32 -7.644 3.232 4.534 211 2HB LYS 32 1HB LYS 32 -7.088 3.248 2.860 212 1HG LYS 32 2HG LYS 32 -9.062 1.901 2.204 213 2HG LYS 32 1HG LYS 32 -9.627 1.936 3.875 214 1HD LYS 32 2HD LYS 32 -9.591 4.463 3.734 215 2HD LYS 32 1HD LYS 32 -9.288 4.293 2.004 216 1HE LYS 32 2HE LYS 32 -11.374 3.079 1.707 217 2HE LYS 32 1HE LYS 32 -11.659 3.075 3.448 218 1HZ LYS 32 1HZ LYS 32 -12.618 4.924 1.771 219 2HZ LYS 32 2HZ LYS 32 -11.189 5.683 2.288 220 3HZ LYS 32 3HZ LYS 32 -12.353 5.189 3.424 221 H ASP 33 H ASP 33 -8.454 0.165 2.126 222 HA ASP 33 HA ASP 33 -8.202 -0.859 0.085 223 1HB ASP 33 2HB ASP 33 -5.958 1.160 -0.146 224 2HB ASP 33 1HB ASP 33 -6.609 0.216 -1.484 225 H ASN 34 H ASN 34 -5.918 -1.427 -1.426 226 HA ASN 34 HA ASN 34 -4.892 -3.683 0.054 227 1HB ASN 34 2HB ASN 34 -5.451 -3.760 -2.387 228 2HB ASN 34 1HB ASN 34 -4.079 -2.695 -2.687 229 1HD2 ASN 34 1HD2 ASN 34 -3.258 -4.612 -0.059 230 2HD2 ASN 34 2HD2 ASN 34 -2.432 -5.845 -0.882 231 H GLY 35 H GLY 35 -4.155 -1.317 1.323 232 1HA GLY 35 2HA GLY 35 -2.276 -0.495 2.391 233 2HA GLY 35 1HA GLY 35 -1.313 -1.664 1.491 234 H LEU 36 H LEU 36 -2.416 -0.689 -1.094 235 HA LEU 36 HA LEU 36 -1.857 0.809 -2.740 236 1HB LEU 36 2HB LEU 36 -1.533 2.835 -0.522 237 2HB LEU 36 1HB LEU 36 -1.928 3.140 -2.214 238 HG LEU 36 HG LEU 36 -3.671 1.607 -0.260 239 1HD1 LEU 36 1HD1 LEU 36 -3.659 3.981 0.275 240 2HD1 LEU 36 2HD1 LEU 36 -5.179 3.592 -0.531 241 3HD1 LEU 36 3HD1 LEU 36 -3.889 4.400 -1.422 242 1HD2 LEU 36 1HD2 LEU 36 -4.155 0.739 -2.398 243 2HD2 LEU 36 2HD2 LEU 36 -3.882 2.290 -3.190 244 3HD2 LEU 36 3HD2 LEU 36 -5.334 2.039 -2.221 245 H LEU 37 H LEU 37 0.093 2.217 -0.127 246 HA LEU 37 HA LEU 37 2.491 1.753 -1.777 247 1HB LEU 37 2HB LEU 37 1.989 4.099 -1.151 248 2HB LEU 37 1HB LEU 37 2.101 3.649 0.551 249 HG LEU 37 HG LEU 37 4.446 2.705 -0.109 250 1HD1 LEU 37 1HD1 LEU 37 5.405 3.415 -2.084 251 2HD1 LEU 37 2HD1 LEU 37 4.418 4.874 -2.161 252 3HD1 LEU 37 3HD1 LEU 37 3.725 3.316 -2.610 253 1HD2 LEU 37 1HD2 LEU 37 4.298 4.554 1.397 254 2HD2 LEU 37 2HD2 LEU 37 3.726 5.634 0.127 255 3HD2 LEU 37 3HD2 LEU 37 5.398 5.076 0.121 256 H PHE 38 H PHE 38 4.048 0.405 -1.116 257 HA PHE 38 HA PHE 38 3.829 -0.727 1.603 258 1HB PHE 38 2HB PHE 38 5.073 -1.885 -0.902 259 2HB PHE 38 1HB PHE 38 5.080 -2.660 0.682 260 HD1 PHE 38 1HD PHE 38 2.884 -3.254 1.782 261 HD2 PHE 38 2HD PHE 38 3.150 -1.965 -2.308 262 HE1 PHE 38 1HE PHE 38 0.623 -4.174 1.344 263 HE2 PHE 38 2HE PHE 38 0.890 -2.885 -2.745 264 HZ PHE 38 HZ PHE 38 -0.374 -3.990 -0.920 265 H ARG 39 H ARG 39 5.419 -0.356 3.015 266 HA ARG 39 HA ARG 39 7.703 1.236 2.204 267 1HB ARG 39 2HB ARG 39 6.469 1.634 4.341 268 2HB ARG 39 1HB ARG 39 7.062 0.079 4.925 269 1HG ARG 39 2HG ARG 39 9.380 0.837 4.655 270 2HG ARG 39 1HG ARG 39 8.814 2.383 4.020 271 1HD ARG 39 2HD ARG 39 8.313 1.287 6.800 272 2HD ARG 39 1HD ARG 39 9.360 2.640 6.381 273 HE ARG 39 HE ARG 39 6.932 3.392 5.391 274 1HH1 ARG 39 1HH2 ARG 39 8.076 2.221 8.440 275 2HH1 ARG 39 2HH2 ARG 39 6.899 3.088 9.370 276 1HH2 ARG 39 1HH1 ARG 39 5.385 4.530 6.603 277 2HH2 ARG 39 2HH1 ARG 39 5.376 4.394 8.330 278 H ILE 40 H ILE 40 9.394 0.264 1.291 279 HA ILE 40 HA ILE 40 10.076 -2.488 2.057 280 HB ILE 40 HB ILE 40 11.227 -0.783 -0.162 281 1HG1 ILE 40 2HG1 ILE 40 9.103 -2.945 -0.308 282 2HG1 ILE 40 1HG1 ILE 40 8.760 -1.217 -0.373 283 1HG2 ILE 40 1HG2 ILE 40 11.954 -2.994 -1.036 284 2HG2 ILE 40 2HG2 ILE 40 11.317 -3.760 0.419 285 3HG2 ILE 40 3HG2 ILE 40 12.672 -2.637 0.534 286 1HD1 ILE 40 1HD1 ILE 40 10.442 -1.129 -2.319 287 2HD1 ILE 40 2HD1 ILE 40 8.883 -1.887 -2.647 288 3HD1 ILE 40 3HD1 ILE 40 10.307 -2.886 -2.357 289 H VAL 41 H VAL 41 11.750 -2.933 3.347 290 HA VAL 41 HA VAL 41 13.846 -0.884 3.707 291 HB VAL 41 HB VAL 41 12.581 -2.496 5.936 292 1HG1 VAL 41 1HG1 VAL 41 14.849 -2.043 6.500 293 2HG1 VAL 41 2HG1 VAL 41 13.916 -0.778 7.301 294 3HG1 VAL 41 3HG1 VAL 41 14.778 -0.425 5.803 295 1HG2 VAL 41 1HG2 VAL 41 11.557 -0.417 6.641 296 2HG2 VAL 41 2HG2 VAL 41 11.126 -0.682 4.952 297 3HG2 VAL 41 3HG2 VAL 41 12.388 0.478 5.369 298 H ASN 42 H ASN 42 15.848 -1.667 3.514 299 HA ASN 42 HA ASN 42 16.201 -4.601 3.552 300 1HB ASN 42 2HB ASN 42 16.739 -3.113 1.465 301 2HB ASN 42 1HB ASN 42 18.196 -2.703 2.366 302 1HD2 ASN 42 1HD2 ASN 42 16.461 -5.849 2.279 303 2HD2 ASN 42 2HD2 ASN 42 17.775 -6.725 1.656 304 H LYS 43 H LYS 43 16.769 -5.100 5.607 305 HA LYS 43 HA LYS 43 18.171 -3.512 7.416 306 1HB LYS 43 2HB LYS 43 18.038 -6.527 7.189 307 2HB LYS 43 1HB LYS 43 18.692 -5.663 8.582 308 1HG LYS 43 2HG LYS 43 16.473 -4.444 8.736 309 2HG LYS 43 1HG LYS 43 15.856 -5.571 7.529 310 1HD LYS 43 2HD LYS 43 17.088 -6.388 10.176 311 2HD LYS 43 1HD LYS 43 15.355 -6.305 9.861 312 1HE LYS 43 2HE LYS 43 15.873 -7.868 7.848 313 2HE LYS 43 1HE LYS 43 17.393 -8.186 8.684 314 1HZ LYS 43 1HZ LYS 43 15.127 -8.303 10.428 315 2HZ LYS 43 2HZ LYS 43 16.367 -9.438 10.187 316 3HZ LYS 43 3HZ LYS 43 15.015 -9.424 9.159 317 H LYS 44 H LYS 44 19.338 -5.580 4.841 318 HA LYS 44 HA LYS 44 22.011 -5.877 5.598 319 1HB LYS 44 2HB LYS 44 20.839 -5.573 2.823 320 2HB LYS 44 1HB LYS 44 22.464 -6.162 3.178 321 1HG LYS 44 2HG LYS 44 21.372 -7.940 4.636 322 2HG LYS 44 1HG LYS 44 19.830 -7.445 3.935 323 1HD LYS 44 2HD LYS 44 22.234 -8.357 2.328 324 2HD LYS 44 1HD LYS 44 20.852 -9.376 2.728 325 1HE LYS 44 2HE LYS 44 19.416 -7.518 1.646 326 2HE LYS 44 1HE LYS 44 20.930 -6.937 0.954 327 1HZ LYS 44 1HZ LYS 44 21.272 -9.028 -0.109 328 2HZ LYS 44 2HZ LYS 44 19.699 -8.508 -0.488 329 3HZ LYS 44 3HZ LYS 44 19.938 -9.721 0.679 330 H LYS 45 H LYS 45 20.799 -3.519 3.203 331 HA LYS 45 HA LYS 45 23.150 -1.850 3.692 332 1HB LYS 45 2HB LYS 45 20.909 -1.445 1.701 333 2HB LYS 45 1HB LYS 45 22.475 -0.634 1.716 334 1HG LYS 45 2HG LYS 45 22.100 -3.627 1.416 335 2HG LYS 45 1HG LYS 45 22.377 -2.517 0.074 336 1HD LYS 45 2HD LYS 45 24.472 -1.763 1.403 337 2HD LYS 45 1HD LYS 45 24.253 -3.257 2.315 338 1HE LYS 45 2HE LYS 45 25.793 -3.637 0.443 339 2HE LYS 45 1HE LYS 45 24.299 -4.540 0.191 340 1HZ LYS 45 1HZ LYS 45 25.438 -2.519 -1.418 341 2HZ LYS 45 2HZ LYS 45 23.896 -2.028 -0.899 342 3HZ LYS 45 3HZ LYS 45 24.089 -3.496 -1.733 343 H LYS 46 H LYS 46 20.087 -2.166 4.945 344 HA LYS 46 HA LYS 46 18.711 -0.815 6.197 345 1HB LYS 46 2HB LYS 46 21.468 0.158 6.675 346 2HB LYS 46 1HB LYS 46 20.168 1.250 7.154 347 1HG LYS 46 2HG LYS 46 20.028 -1.659 7.902 348 2HG LYS 46 1HG LYS 46 21.010 -0.551 8.861 349 1HD LYS 46 2HD LYS 46 19.186 0.599 9.656 350 2HD LYS 46 1HD LYS 46 18.250 0.340 8.184 351 1HE LYS 46 2HE LYS 46 17.605 -0.944 10.398 352 2HE LYS 46 1HE LYS 46 17.538 -1.776 8.843 353 1HZ LYS 46 1HZ LYS 46 19.030 -2.487 11.055 354 2HZ LYS 46 2HZ LYS 46 20.152 -1.898 9.923 355 3HZ LYS 46 3HZ LYS 46 19.107 -3.170 9.505 356 H GLN 47 H GLN 47 18.687 -0.324 3.406 357 HA GLN 47 HA GLN 47 18.374 2.612 3.281 358 1HB GLN 47 2HB GLN 47 18.462 2.328 0.825 359 2HB GLN 47 1HB GLN 47 19.919 1.716 1.610 360 1HG GLN 47 2HG GLN 47 18.740 -0.572 1.624 361 2HG GLN 47 1HG GLN 47 17.606 0.140 0.477 362 1HE2 GLN 47 1HE2 GLN 47 20.200 1.831 -0.355 363 2HE2 GLN 47 2HE2 GLN 47 20.946 0.784 -1.463 364 H TRP 48 H TRP 48 16.382 3.425 3.190 365 HA TRP 48 HA TRP 48 14.103 1.629 3.047 366 1HB TRP 48 2HB TRP 48 14.384 4.599 3.521 367 2HB TRP 48 1HB TRP 48 12.818 3.797 3.390 368 HD1 TRP 48 HD TRP 48 15.451 1.669 4.946 369 HE1 TRP 48 1HE TRP 48 15.067 1.506 7.491 370 HE3 TRP 48 3HE TRP 48 11.920 5.311 5.543 371 HZ2 TRP 48 2HZ TRP 48 13.472 2.755 9.512 372 HZ3 TRP 48 3HZ TRP 48 10.988 5.804 7.785 373 HH2 TRP 48 HH TRP 48 11.758 4.531 9.769 374 H ALA 49 H ALA 49 12.463 1.707 1.500 375 HA ALA 49 HA ALA 49 12.814 3.416 -0.845 376 1HB ALA 49 1HB ALA 49 12.451 1.266 -2.272 377 2HB ALA 49 2HB ALA 49 13.086 0.424 -0.859 378 3HB ALA 49 3HB ALA 49 14.072 1.633 -1.681 379 H TYR 50 H TYR 50 10.920 3.633 -2.095 380 HA TYR 50 HA TYR 50 8.500 2.391 -0.937 381 1HB TYR 50 2HB TYR 50 8.971 5.272 -1.697 382 2HB TYR 50 1HB TYR 50 7.352 4.592 -1.533 383 HD1 TYR 50 1HD TYR 50 10.091 6.075 0.201 384 HD2 TYR 50 2HD TYR 50 6.844 3.305 0.680 385 HE1 TYR 50 1HE TYR 50 10.223 6.347 2.662 386 HE2 TYR 50 2HE TYR 50 6.975 3.578 3.140 387 HH TYR 50 HH TYR 50 8.768 6.069 4.621 388 H TYR 51 H TYR 51 6.974 1.696 -2.363 389 HA TYR 51 HA TYR 51 7.485 2.180 -5.236 390 1HB TYR 51 2HB TYR 51 8.167 -0.052 -4.958 391 2HB TYR 51 1HB TYR 51 6.885 -0.394 -3.794 392 HD1 TYR 51 1HD TYR 51 4.745 -1.144 -4.500 393 HD2 TYR 51 2HD TYR 51 7.544 0.383 -7.378 394 HE1 TYR 51 1HE TYR 51 3.274 -1.917 -6.341 395 HE2 TYR 51 2HE TYR 51 6.073 -0.391 -9.219 396 HH TYR 51 HH TYR 51 3.944 -2.564 -9.080 397 H ASN 52 H ASN 52 5.812 3.088 -6.237 398 HA ASN 52 HA ASN 52 3.238 3.256 -4.884 399 1HB ASN 52 2HB ASN 52 4.152 5.271 -5.922 400 2HB ASN 52 1HB ASN 52 4.209 4.459 -7.486 401 1HD2 ASN 52 1HD2 ASN 52 2.700 6.726 -7.498 402 2HD2 ASN 52 2HD2 ASN 52 1.042 6.367 -7.471 403 H ASP 53 H ASP 53 1.806 1.674 -5.140 404 HA ASP 53 HA ASP 53 1.876 -0.040 -7.492 405 1HB ASP 53 2HB ASP 53 1.516 -0.924 -5.163 406 2HB ASP 53 1HB ASP 53 -0.052 -0.120 -5.164 407 H THR 54 H THR 54 -0.182 2.428 -6.046 408 HA THR 54 HA THR 54 -2.428 2.120 -7.725 409 HB THR 54 HB THR 54 -2.822 4.572 -7.128 410 HG1 THR 54 1HG THR 54 -0.341 4.596 -6.706 411 1HG2 THR 54 1HG2 THR 54 -3.801 2.768 -5.819 412 2HG2 THR 54 2HG2 THR 54 -3.215 4.022 -4.726 413 3HG2 THR 54 3HG2 THR 54 -2.285 2.540 -4.947 414 H THR 55 H THR 55 -2.844 2.745 -9.764 415 HA THR 55 HA THR 55 -0.690 4.124 -11.229 416 HB THR 55 HB THR 55 -1.868 3.239 -13.258 417 HG1 THR 55 1HG THR 55 -3.892 2.848 -12.635 418 1HG2 THR 55 1HG2 THR 55 -1.030 1.000 -13.004 419 2HG2 THR 55 2HG2 THR 55 -1.191 1.080 -11.249 420 3HG2 THR 55 3HG2 THR 55 0.027 2.057 -12.068 421 H GLN 56 H GLN 56 -3.272 5.039 -9.584 422 HA GLN 56 HA GLN 56 -4.218 6.962 -11.621 423 1HB GLN 56 2HB GLN 56 -6.001 5.547 -10.731 424 2HB GLN 56 1HB GLN 56 -5.566 6.006 -9.085 425 1HG GLN 56 2HG GLN 56 -6.143 8.322 -9.515 426 2HG GLN 56 1HG GLN 56 -6.415 7.978 -11.223 427 1HE2 GLN 56 1HE2 GLN 56 -8.561 9.096 -9.935 428 2HE2 GLN 56 2HE2 GLN 56 -9.757 7.933 -9.623 429 H TYR 57 H TYR 57 -3.205 6.618 -8.240 430 HA TYR 57 HA TYR 57 -2.782 9.545 -8.147 431 1HB TYR 57 2HB TYR 57 -2.912 7.922 -5.648 432 2HB TYR 57 1HB TYR 57 -3.430 9.583 -5.940 433 HD1 TYR 57 1HD TYR 57 -4.353 6.034 -6.194 434 HD2 TYR 57 2HD TYR 57 -5.592 10.069 -6.998 435 HE1 TYR 57 1HE TYR 57 -6.675 5.247 -6.567 436 HE2 TYR 57 2HE TYR 57 -7.915 9.281 -7.370 437 HH TYR 57 HH TYR 57 -8.720 5.815 -7.246 438 H GLU 58 H GLU 58 -0.863 10.329 -7.235 439 HA GLU 58 HA GLU 58 1.384 8.461 -7.361 440 1HB GLU 58 2HB GLU 58 2.544 10.838 -6.840 441 2HB GLU 58 1HB GLU 58 2.101 10.324 -8.468 442 1HG GLU 58 2HG GLU 58 -0.009 11.516 -8.332 443 2HG GLU 58 1HG GLU 58 0.284 11.916 -6.640 444 H MET 59 H MET 59 2.858 8.167 -5.667 445 HA MET 59 HA MET 59 1.690 8.578 -3.010 446 1HB MET 59 2HB MET 59 3.764 6.739 -4.150 447 2HB MET 59 1HB MET 59 3.753 7.069 -2.417 448 1HG MET 59 2HG MET 59 2.362 5.056 -3.254 449 2HG MET 59 1HG MET 59 1.579 6.179 -2.142 450 1HE MET 59 1HE MET 59 -0.817 6.243 -2.536 451 2HE MET 59 2HE MET 59 -0.465 4.659 -3.221 452 3HE MET 59 3HE MET 59 -1.567 5.748 -4.061 453 H HIS 60 H HIS 60 2.332 10.223 -1.790 454 HA HIS 60 HA HIS 60 5.006 11.388 -2.273 455 1HB HIS 60 2HB HIS 60 2.534 12.643 -1.052 456 2HB HIS 60 1HB HIS 60 4.097 13.441 -1.230 457 HD1 HIS 60 1HD HIS 60 4.451 14.659 -3.381 458 HD2 HIS 60 2HD HIS 60 1.470 11.765 -3.728 459 HE1 HIS 60 1HE HIS 60 3.492 14.895 -5.713 460 HE2 HIS 60 2HE HIS 60 1.674 13.137 -5.941 461 H VAL 61 H VAL 61 6.480 10.895 -0.787 462 HA VAL 61 HA VAL 61 5.574 10.030 1.878 463 HB VAL 61 HB VAL 61 8.181 9.630 0.399 464 1HG1 VAL 61 1HG1 VAL 61 8.663 8.130 2.424 465 2HG1 VAL 61 2HG1 VAL 61 7.363 8.998 3.241 466 3HG1 VAL 61 3HG1 VAL 61 8.795 9.869 2.690 467 1HG2 VAL 61 1HG2 VAL 61 6.093 7.665 1.396 468 2HG2 VAL 61 2HG2 VAL 61 7.522 7.282 0.435 469 3HG2 VAL 61 3HG2 VAL 61 6.213 8.231 -0.271 470 H LEU 62 H LEU 62 6.019 11.168 3.665 471 HA LEU 62 HA LEU 62 8.128 13.210 3.602 472 1HB LEU 62 2HB LEU 62 6.025 14.374 3.012 473 2HB LEU 62 1HB LEU 62 5.291 13.776 4.502 474 HG LEU 62 HG LEU 62 7.256 14.880 5.727 475 1HD1 LEU 62 1HD1 LEU 62 7.597 15.948 2.928 476 2HD1 LEU 62 2HD1 LEU 62 8.826 15.315 4.024 477 3HD1 LEU 62 3HD1 LEU 62 8.107 16.898 4.324 478 1HD2 LEU 62 1HD2 LEU 62 6.151 17.063 5.719 479 2HD2 LEU 62 2HD2 LEU 62 4.931 15.791 5.651 480 3HD2 LEU 62 3HD2 LEU 62 5.358 16.683 4.190 481 H VAL 63 H VAL 63 9.320 11.922 5.022 482 HA VAL 63 HA VAL 63 8.100 11.434 7.668 483 HB VAL 63 HB VAL 63 10.505 10.101 6.402 484 1HG1 VAL 63 1HG1 VAL 63 10.242 8.522 8.309 485 2HG1 VAL 63 2HG1 VAL 63 8.973 9.557 8.963 486 3HG1 VAL 63 3HG1 VAL 63 10.627 10.157 8.846 487 1HG2 VAL 63 1HG2 VAL 63 7.820 8.846 6.978 488 2HG2 VAL 63 2HG2 VAL 63 9.100 8.263 5.913 489 3HG2 VAL 63 3HG2 VAL 63 8.133 9.661 5.444 490 H THR 64 H THR 64 8.909 12.425 9.416 491 HA THR 64 HA THR 64 11.369 14.027 9.072 492 HB THR 64 HB THR 64 9.061 14.403 10.996 493 HG1 THR 64 1HG THR 64 8.552 15.029 8.909 494 1HG2 THR 64 1HG2 THR 64 11.692 15.831 10.621 495 2HG2 THR 64 2HG2 THR 64 10.999 15.190 12.109 496 3HG2 THR 64 3HG2 THR 64 10.303 16.626 11.360 497 H PHE 65 H PHE 65 13.093 13.608 10.329 498 HA PHE 65 HA PHE 65 12.744 11.640 12.510 499 1HB PHE 65 2HB PHE 65 15.386 12.086 11.180 500 2HB PHE 65 1HB PHE 65 14.743 10.628 11.937 501 HD1 PHE 65 1HD PHE 65 13.430 9.051 10.702 502 HD2 PHE 65 2HD PHE 65 14.518 12.816 8.944 503 HE1 PHE 65 1HE PHE 65 12.642 8.248 8.493 504 HE2 PHE 65 2HE PHE 65 13.730 12.012 6.734 505 HZ PHE 65 HZ PHE 65 12.791 9.728 6.509 506 H ASN 66 H ASN 66 14.233 11.841 14.321 507 HA ASN 66 HA ASN 66 14.491 14.589 15.172 508 1HB ASN 66 2HB ASN 66 13.844 12.604 16.644 509 2HB ASN 66 1HB ASN 66 15.548 12.156 16.608 510 1HD2 ASN 66 1HD2 ASN 66 16.852 13.136 18.169 511 2HD2 ASN 66 2HD2 ASN 66 16.426 14.524 19.049 512 H GLU 67 H GLU 67 16.478 15.533 15.947 513 HA GLU 67 HA GLU 67 18.565 15.561 14.142 514 1HB GLU 67 2HB GLU 67 18.418 17.331 15.728 515 2HB GLU 67 1HB GLU 67 18.517 16.213 17.091 516 1HG GLU 67 2HG GLU 67 20.805 15.757 16.698 517 2HG GLU 67 1HG GLU 67 20.744 16.421 15.066 518 H ASP 68 H ASP 68 18.428 13.773 17.225 519 HA ASP 68 HA ASP 68 20.929 12.446 16.783 520 1HB ASP 68 2HB ASP 68 20.291 11.099 18.748 521 2HB ASP 68 1HB ASP 68 20.073 12.823 19.046 522 H CYS 69 H CYS 69 20.284 11.774 14.526 523 HA CYS 69 HA CYS 69 19.449 8.991 14.619 524 1HB CYS 69 2HB CYS 69 18.007 10.912 12.782 525 2HB CYS 69 1HB CYS 69 17.685 9.190 12.997 526 HG CYS 69 HG CYS 69 16.724 11.424 14.852 527 H ASP 70 H ASP 70 21.036 8.001 13.559 528 HA ASP 70 HA ASP 70 22.689 9.364 11.642 529 1HB ASP 70 2HB ASP 70 23.429 7.523 13.240 530 2HB ASP 70 1HB ASP 70 22.615 6.392 12.160 531 H ILE 71 H ILE 71 21.076 9.977 10.076 532 HA ILE 71 HA ILE 71 20.376 7.751 8.259 533 HB ILE 71 HB ILE 71 18.305 8.973 7.690 534 1HG1 ILE 71 2HG1 ILE 71 19.161 10.790 9.967 535 2HG1 ILE 71 1HG1 ILE 71 19.095 11.240 8.263 536 1HG2 ILE 71 1HG2 ILE 71 18.338 7.226 9.477 537 2HG2 ILE 71 2HG2 ILE 71 17.100 8.452 9.747 538 3HG2 ILE 71 3HG2 ILE 71 18.602 8.497 10.671 539 1HD1 ILE 71 1HD1 ILE 71 16.799 10.561 10.104 540 2HD1 ILE 71 2HD1 ILE 71 16.620 10.539 8.351 541 3HD1 ILE 71 3HD1 ILE 71 17.052 12.037 9.173 542 H LYS 72 H LYS 72 20.096 8.423 5.999 543 HA LYS 72 HA LYS 72 21.344 10.958 5.246 544 1HB LYS 72 2HB LYS 72 23.077 9.002 5.505 545 2HB LYS 72 1HB LYS 72 22.414 8.473 3.959 546 1HG LYS 72 2HG LYS 72 22.773 10.929 3.203 547 2HG LYS 72 1HG LYS 72 23.832 11.051 4.608 548 1HD LYS 72 2HD LYS 72 25.370 10.353 3.029 549 2HD LYS 72 1HD LYS 72 24.819 8.785 3.618 550 1HE LYS 72 2HE LYS 72 24.813 8.832 1.156 551 2HE LYS 72 1HE LYS 72 23.170 8.677 1.778 552 1HZ LYS 72 1HZ LYS 72 22.607 10.587 0.837 553 2HZ LYS 72 2HZ LYS 72 24.120 10.611 0.061 554 3HZ LYS 72 3HZ LYS 72 23.913 11.405 1.549 555 H ALA 73 H ALA 73 21.121 11.414 2.941 556 HA ALA 73 HA ALA 73 18.596 10.394 1.915 557 1HB ALA 73 1HB ALA 73 18.443 12.434 1.004 558 2HB ALA 73 2HB ALA 73 19.941 12.186 0.107 559 3HB ALA 73 3HB ALA 73 19.991 12.841 1.743 560 H LEU 74 H LEU 74 18.347 9.530 -0.210 561 HA LEU 74 HA LEU 74 20.767 8.124 -1.165 562 1HB LEU 74 2HB LEU 74 17.854 7.321 -1.329 563 2HB LEU 74 1HB LEU 74 19.182 6.433 -2.075 564 HG LEU 74 HG LEU 74 18.956 7.037 0.887 565 1HD1 LEU 74 1HD1 LEU 74 18.288 4.770 1.194 566 2HD1 LEU 74 2HD1 LEU 74 18.678 4.351 -0.475 567 3HD1 LEU 74 3HD1 LEU 74 17.284 5.374 -0.125 568 1HD2 LEU 74 1HD2 LEU 74 21.220 6.722 0.623 569 2HD2 LEU 74 2HD2 LEU 74 21.024 5.812 -0.875 570 3HD2 LEU 74 3HD2 LEU 74 20.738 5.026 0.678 571 H GLY 75 H GLY 75 17.933 7.916 -3.059 572 1HA GLY 75 2HA GLY 75 19.187 9.660 -5.092 573 2HA GLY 75 1HA GLY 75 18.178 8.263 -5.453 574 H LYS 76 H LYS 76 18.079 11.353 -5.905 575 HA LYS 76 HA LYS 76 16.384 12.855 -6.295 576 1HB LYS 76 2HB LYS 76 15.230 10.488 -6.817 577 2HB LYS 76 1HB LYS 76 14.256 10.970 -5.428 578 1HG LYS 76 2HG LYS 76 14.722 12.616 -7.933 579 2HG LYS 76 1HG LYS 76 13.226 11.787 -7.500 580 1HD LYS 76 2HD LYS 76 13.284 13.168 -5.333 581 2HD LYS 76 1HD LYS 76 14.508 14.154 -6.133 582 1HE LYS 76 2HE LYS 76 12.939 14.572 -8.002 583 2HE LYS 76 1HE LYS 76 11.710 13.617 -7.172 584 1HZ LYS 76 1HZ LYS 76 12.979 16.102 -6.155 585 2HZ LYS 76 2HZ LYS 76 11.847 15.164 -5.304 586 3HZ LYS 76 3HZ LYS 76 11.394 15.956 -6.737 587 H THR 77 H THR 77 15.516 10.810 -3.498 588 HA THR 77 HA THR 77 14.046 12.598 -2.024 589 HB THR 77 HB THR 77 16.097 10.646 -0.953 590 HG1 THR 77 1HG THR 77 14.560 9.660 -2.268 591 1HG2 THR 77 1HG2 THR 77 14.489 10.656 1.021 592 2HG2 THR 77 2HG2 THR 77 13.764 12.097 0.307 593 3HG2 THR 77 3HG2 THR 77 15.452 12.121 0.816 594 H LYS 78 H LYS 78 14.437 14.574 -1.281 595 HA LYS 78 HA LYS 78 17.205 15.508 -1.048 596 1HB LYS 78 2HB LYS 78 15.423 16.837 -2.263 597 2HB LYS 78 1HB LYS 78 14.674 17.119 -0.690 598 1HG LYS 78 2HG LYS 78 16.049 18.990 -0.872 599 2HG LYS 78 1HG LYS 78 17.105 17.876 -0.004 600 1HD LYS 78 2HD LYS 78 18.204 17.228 -2.081 601 2HD LYS 78 1HD LYS 78 17.087 18.224 -3.016 602 1HE LYS 78 2HE LYS 78 19.124 19.488 -2.750 603 2HE LYS 78 1HE LYS 78 17.910 20.222 -1.703 604 1HZ LYS 78 1HZ LYS 78 19.231 19.857 0.016 605 2HZ LYS 78 2HZ LYS 78 20.392 19.132 -0.991 606 3HZ LYS 78 3HZ LYS 78 19.177 18.186 -0.270 607 H LEU 79 H LEU 79 18.211 15.714 0.847 608 HA LEU 79 HA LEU 79 16.598 15.465 3.310 609 1HB LEU 79 2HB LEU 79 18.195 13.639 2.996 610 2HB LEU 79 1HB LEU 79 19.512 14.801 2.820 611 HG LEU 79 HG LEU 79 19.100 15.625 5.106 612 1HD1 LEU 79 1HD1 LEU 79 16.852 15.333 5.600 613 2HD1 LEU 79 2HD1 LEU 79 17.540 13.951 6.454 614 3HD1 LEU 79 3HD1 LEU 79 16.794 13.728 4.872 615 1HD2 LEU 79 1HD2 LEU 79 20.719 13.853 4.926 616 2HD2 LEU 79 2HD2 LEU 79 19.454 12.632 4.785 617 3HD2 LEU 79 3HD2 LEU 79 19.703 13.472 6.316 618 H GLU 80 H GLU 80 16.619 17.071 4.766 619 HA GLU 80 HA GLU 80 18.790 19.020 4.802 620 1HB GLU 80 2HB GLU 80 17.254 20.939 4.596 621 2HB GLU 80 1HB GLU 80 17.256 19.955 3.131 622 1HG GLU 80 2HG GLU 80 15.220 18.781 3.958 623 2HG GLU 80 1HG GLU 80 15.194 19.859 5.351 624 H GLN 81 H GLN 81 18.969 20.109 6.757 625 HA GLN 81 HA GLN 81 17.220 19.085 8.906 626 1HB GLN 81 2HB GLN 81 19.660 18.538 9.047 627 2HB GLN 81 1HB GLN 81 19.994 20.266 9.161 628 1HG GLN 81 2HG GLN 81 18.644 20.429 11.191 629 2HG GLN 81 1HG GLN 81 18.205 18.727 11.063 630 1HE2 GLN 81 1HE2 GLN 81 19.425 19.369 13.417 631 2HE2 GLN 81 2HE2 GLN 81 21.043 18.855 13.433 632 H GLN 82 H GLN 82 16.530 20.521 10.555 633 HA GLN 82 HA GLN 82 16.376 23.329 9.655 634 1HB GLN 82 2HB GLN 82 14.586 22.244 11.784 635 2HB GLN 82 1HB GLN 82 14.256 23.461 10.551 636 1HG GLN 82 2HG GLN 82 14.487 20.469 10.136 637 2HG GLN 82 1HG GLN 82 13.033 21.453 9.970 638 1HE2 GLN 82 1HE2 GLN 82 15.281 19.929 8.103 639 2HE2 GLN 82 2HE2 GLN 82 15.283 20.957 6.753 640 H GLU 83 H GLU 83 16.124 24.915 11.522 641 HA GLU 83 HA GLU 83 18.450 24.825 13.133 642 1HB GLU 83 2HB GLU 83 15.988 26.559 13.453 643 2HB GLU 83 1HB GLU 83 17.571 26.861 14.170 644 1HG GLU 83 2HG GLU 83 17.045 26.656 11.191 645 2HG GLU 83 1HG GLU 83 17.195 28.173 12.079 646 H ASN 84 H ASN 84 15.061 24.070 13.767 647 HA ASN 84 HA ASN 84 15.171 23.836 16.559 648 1HB ASN 84 2HB ASN 84 13.238 22.232 16.238 649 2HB ASN 84 1HB ASN 84 13.036 23.814 15.487 650 1HD2 ASN 84 1HD2 ASN 84 14.715 20.776 14.470 651 2HD2 ASN 84 2HD2 ASN 84 13.974 20.716 12.944 652 H GLY 85 H GLY 85 16.369 21.766 14.043 653 1HA GLY 85 2HA GLY 85 18.082 20.156 14.460 654 2HA GLY 85 1HA GLY 85 17.459 19.959 16.095 655 H GLU 86 H GLU 86 15.996 19.780 12.842 656 HA GLU 86 HA GLU 86 15.235 16.989 13.399 657 1HB GLU 86 2HB GLU 86 13.379 19.182 12.448 658 2HB GLU 86 1HB GLU 86 12.983 17.463 12.414 659 1HG GLU 86 2HG GLU 86 13.328 17.337 14.857 660 2HG GLU 86 1HG GLU 86 13.704 19.060 14.889 661 H TRP 87 H TRP 87 15.148 15.664 11.606 662 HA TRP 87 HA TRP 87 16.319 16.801 9.159 663 1HB TRP 87 2HB TRP 87 16.138 13.992 10.248 664 2HB TRP 87 1HB TRP 87 16.633 14.329 8.590 665 HD1 TRP 87 HD TRP 87 17.849 14.410 12.141 666 HE1 TRP 87 1HE TRP 87 20.305 15.194 12.202 667 HE3 TRP 87 3HE TRP 87 18.400 15.959 7.306 668 HZ2 TRP 87 2HZ TRP 87 22.246 16.326 10.432 669 HZ3 TRP 87 3HZ TRP 87 20.561 16.885 6.521 670 HH2 TRP 87 HH TRP 87 22.483 17.071 8.077 671 H VAL 88 H VAL 88 15.287 16.758 7.222 672 HA VAL 88 HA VAL 88 12.592 15.537 7.156 673 HB VAL 88 HB VAL 88 13.501 18.167 5.965 674 1HG1 VAL 88 1HG1 VAL 88 10.967 16.548 5.629 675 2HG1 VAL 88 2HG1 VAL 88 12.028 17.178 4.368 676 3HG1 VAL 88 3HG1 VAL 88 11.029 18.282 5.312 677 1HG2 VAL 88 1HG2 VAL 88 12.974 18.228 8.378 678 2HG2 VAL 88 2HG2 VAL 88 11.415 17.466 8.059 679 3HG2 VAL 88 3HG2 VAL 88 11.747 19.087 7.448 680 H ALA 89 H ALA 89 12.174 14.225 5.479 681 HA ALA 89 HA ALA 89 13.891 14.358 3.092 682 1HB ALA 89 1HB ALA 89 14.755 12.606 4.694 683 2HB ALA 89 2HB ALA 89 14.303 11.994 3.103 684 3HB ALA 89 3HB ALA 89 13.225 11.755 4.478 685 H SER 90 H SER 90 12.444 14.853 1.559 686 HA SER 90 HA SER 90 9.917 13.312 1.491 687 1HB SER 90 2HB SER 90 8.829 15.208 0.516 688 2HB SER 90 1HB SER 90 9.709 15.797 1.923 689 HG SER 90 HG SER 90 10.598 17.108 0.542 690 H VAL 91 H VAL 91 9.241 12.474 -0.468 691 HA VAL 91 HA VAL 91 10.658 13.013 -2.922 692 HB VAL 91 HB VAL 91 12.117 11.367 -1.590 693 1HG1 VAL 91 1HG1 VAL 91 11.407 9.089 -1.482 694 2HG1 VAL 91 2HG1 VAL 91 10.010 9.402 -2.512 695 3HG1 VAL 91 3HG1 VAL 91 10.053 10.039 -0.867 696 1HG2 VAL 91 1HG2 VAL 91 11.062 10.934 -4.380 697 2HG2 VAL 91 2HG2 VAL 91 12.290 9.859 -3.715 698 3HG2 VAL 91 3HG2 VAL 91 12.623 11.583 -3.879 699 H VAL 92 H VAL 92 9.426 12.512 -4.670 700 HA VAL 92 HA VAL 92 6.815 11.266 -4.122 701 HB VAL 92 HB VAL 92 7.689 12.865 -6.538 702 1HG1 VAL 92 1HG1 VAL 92 5.785 11.354 -6.931 703 2HG1 VAL 92 2HG1 VAL 92 5.250 13.034 -6.920 704 3HG1 VAL 92 3HG1 VAL 92 4.965 12.010 -5.514 705 1HG2 VAL 92 1HG2 VAL 92 7.770 14.248 -4.512 706 2HG2 VAL 92 2HG2 VAL 92 6.160 13.694 -4.050 707 3HG2 VAL 92 3HG2 VAL 92 6.369 14.696 -5.486 708 H VAL 93 H VAL 93 6.257 9.359 -4.988 709 HA VAL 93 HA VAL 93 8.138 8.127 -6.910 710 HB VAL 93 HB VAL 93 6.272 6.687 -5.016 711 1HG1 VAL 93 1HG1 VAL 93 8.692 5.786 -6.611 712 2HG1 VAL 93 2HG1 VAL 93 7.012 5.435 -7.019 713 3HG1 VAL 93 3HG1 VAL 93 7.719 4.767 -5.549 714 1HG2 VAL 93 1HG2 VAL 93 8.284 6.289 -3.636 715 2HG2 VAL 93 2HG2 VAL 93 7.935 8.013 -3.753 716 3HG2 VAL 93 3HG2 VAL 93 9.230 7.307 -4.720 717 H TYR 94 H TYR 94 7.371 7.432 -8.825 718 HA TYR 94 HA TYR 94 4.530 7.895 -9.393 719 1HB TYR 94 2HB TYR 94 6.919 7.423 -11.187 720 2HB TYR 94 1HB TYR 94 5.264 7.581 -11.778 721 HD1 TYR 94 1HD TYR 94 3.951 9.690 -10.766 722 HD2 TYR 94 2HD TYR 94 8.220 9.350 -11.087 723 HE1 TYR 94 1HE TYR 94 4.157 12.159 -10.655 724 HE2 TYR 94 2HE TYR 94 8.425 11.819 -10.986 725 HH TYR 94 HH TYR 94 7.131 13.786 -11.342 726 HA PRO 95 HA PRO 95 3.289 3.698 -9.425 727 1HB PRO 95 2HB PRO 95 2.102 4.181 -12.112 728 2HB PRO 95 1HB PRO 95 1.330 3.605 -10.624 729 1HG PRO 95 2HG PRO 95 0.939 6.077 -11.524 730 2HG PRO 95 1HG PRO 95 1.044 5.723 -9.791 731 1HD PRO 95 2HD PRO 95 3.073 7.010 -11.577 732 2HD PRO 95 1HD PRO 95 2.717 7.321 -9.862 733 H CYS 96 H CYS 96 3.732 1.654 -10.381 734 HA CYS 96 HA CYS 96 5.075 0.135 -11.464 735 1HB CYS 96 2HB CYS 96 5.026 2.063 -13.787 736 2HB CYS 96 1HB CYS 96 5.158 0.304 -13.832 737 HG CYS 96 HG CYS 96 2.657 0.175 -12.985 738 H GLU 97 H GLU 97 6.260 2.574 -10.074 739 HA GLU 97 HA GLU 97 8.986 2.192 -11.119 740 1HB GLU 97 2HB GLU 97 7.848 4.392 -11.900 741 2HB GLU 97 1HB GLU 97 8.074 4.914 -10.230 742 1HG GLU 97 2HG GLU 97 10.015 5.643 -11.429 743 2HG GLU 97 1HG GLU 97 10.515 4.249 -10.472 744 H THR 98 H THR 98 10.651 2.603 -9.561 745 HA THR 98 HA THR 98 9.756 2.870 -6.769 746 HB THR 98 HB THR 98 11.810 0.800 -7.495 747 HG1 THR 98 1HG THR 98 10.189 -0.082 -8.551 748 1HG2 THR 98 1HG2 THR 98 10.746 -0.184 -5.359 749 2HG2 THR 98 2HG2 THR 98 9.989 1.396 -5.167 750 3HG2 THR 98 3HG2 THR 98 11.746 1.256 -5.176 751 H GLU 99 H GLU 99 10.886 4.444 -5.843 752 HA GLU 99 HA GLU 99 13.601 5.018 -6.865 753 1HB GLU 99 2HB GLU 99 11.627 6.887 -5.531 754 2HB GLU 99 1HB GLU 99 13.238 7.327 -6.099 755 1HG GLU 99 2HG GLU 99 11.047 6.202 -7.864 756 2HG GLU 99 1HG GLU 99 11.441 7.915 -7.732 757 H MET 100 H MET 100 15.067 6.019 -5.221 758 HA MET 100 HA MET 100 15.007 4.411 -2.793 759 1HB MET 100 2HB MET 100 17.083 6.413 -3.714 760 2HB MET 100 1HB MET 100 17.273 5.198 -2.450 761 1HG MET 100 2HG MET 100 16.773 4.641 -5.389 762 2HG MET 100 1HG MET 100 18.300 4.413 -4.537 763 1HE MET 100 1HE MET 100 18.582 3.245 -2.537 764 2HE MET 100 2HE MET 100 17.970 1.621 -2.237 765 3HE MET 100 3HE MET 100 17.114 3.012 -1.578 766 H PHE 101 H PHE 101 15.047 5.245 -0.691 767 HA PHE 101 HA PHE 101 13.993 7.997 -0.458 768 1HB PHE 101 2HB PHE 101 12.467 6.193 0.309 769 2HB PHE 101 1HB PHE 101 13.689 5.688 1.478 770 HD1 PHE 101 1HD PHE 101 12.756 6.237 3.578 771 HD2 PHE 101 2HD PHE 101 12.712 9.132 0.405 772 HE1 PHE 101 1HE PHE 101 11.920 7.957 5.158 773 HE2 PHE 101 2HE PHE 101 11.884 10.853 1.987 774 HZ PHE 101 HZ PHE 101 11.484 10.265 4.362 775 H ILE 102 H ILE 102 14.928 6.376 2.401 776 HA ILE 102 HA ILE 102 17.494 7.837 2.481 777 HB ILE 102 HB ILE 102 17.075 8.530 4.742 778 1HG1 ILE 102 2HG1 ILE 102 14.650 7.989 5.615 779 2HG1 ILE 102 1HG1 ILE 102 14.751 6.641 4.481 780 1HG2 ILE 102 1HG2 ILE 102 14.629 8.986 3.005 781 2HG2 ILE 102 2HG2 ILE 102 16.097 9.965 3.012 782 3HG2 ILE 102 3HG2 ILE 102 15.049 9.938 4.430 783 1HD1 ILE 102 1HD1 ILE 102 15.805 6.724 7.082 784 2HD1 ILE 102 2HD1 ILE 102 17.202 6.883 6.016 785 3HD1 ILE 102 3HD1 ILE 102 16.123 5.498 5.855 786 H GLU 103 H GLU 103 18.993 6.994 4.136 787 HA GLU 103 HA GLU 103 18.513 4.165 4.821 788 1HB GLU 103 2HB GLU 103 20.716 3.533 4.079 789 2HB GLU 103 1HB GLU 103 19.909 4.352 2.740 790 1HG GLU 103 2HG GLU 103 21.036 6.482 3.447 791 2HG GLU 103 1HG GLU 103 21.944 5.551 4.638 792 H GLY 104 H GLY 104 20.588 3.456 6.210 793 1HA GLY 104 2HA GLY 104 22.109 4.033 7.952 794 2HA GLY 104 1HA GLY 104 21.326 5.605 8.076 795 H ARG 105 H ARG 105 21.269 5.154 10.396 796 HA ARG 105 HA ARG 105 19.355 3.099 11.244 797 1HB ARG 105 2HB ARG 105 21.576 3.414 12.411 798 2HB ARG 105 1HB ARG 105 20.972 4.967 12.986 799 1HG ARG 105 2HG ARG 105 19.054 3.824 14.050 800 2HG ARG 105 1HG ARG 105 19.677 2.271 13.492 801 1HD ARG 105 2HD ARG 105 21.787 2.721 14.758 802 2HD ARG 105 1HD ARG 105 21.049 4.186 15.399 803 HE ARG 105 HE ARG 105 20.451 1.458 16.189 804 1HH1 ARG 105 1HH2 ARG 105 19.416 4.757 16.047 805 2HH1 ARG 105 2HH2 ARG 105 18.312 4.612 17.372 806 1HH2 ARG 105 1HH1 ARG 105 19.003 1.261 17.929 807 2HH2 ARG 105 2HH1 ARG 105 18.077 2.634 18.437 808 H VAL 106 H VAL 106 17.423 3.554 12.245 809 HA VAL 106 HA VAL 106 16.632 6.404 12.336 810 HB VAL 106 HB VAL 106 14.720 4.156 11.724 811 1HG1 VAL 106 1HG1 VAL 106 14.013 6.516 12.489 812 2HG1 VAL 106 2HG1 VAL 106 13.282 5.901 11.005 813 3HG1 VAL 106 3HG1 VAL 106 14.604 7.066 10.921 814 1HG2 VAL 106 1HG2 VAL 106 16.289 3.981 9.942 815 2HG2 VAL 106 2HG2 VAL 106 16.512 5.728 9.863 816 3HG2 VAL 106 3HG2 VAL 106 15.001 5.006 9.310 817 H ASN 107 H ASN 107 15.650 7.096 14.153 818 HA ASN 107 HA ASN 107 14.542 5.175 16.058 819 1HB ASN 107 2HB ASN 107 15.922 6.595 17.843 820 2HB ASN 107 1HB ASN 107 16.593 5.147 17.093 821 1HD2 ASN 107 1HD2 ASN 107 17.561 8.141 17.925 822 2HD2 ASN 107 2HD2 ASN 107 18.631 8.488 16.654 823 H GLY 108 H GLY 108 12.607 5.969 16.561 824 1HA GLY 108 2HA GLY 108 10.908 7.445 17.043 825 2HA GLY 108 1HA GLY 108 12.158 8.470 17.741 826 H PHE 109 H PHE 109 10.043 7.981 15.079 827 HA PHE 109 HA PHE 109 10.768 10.587 13.994 828 1HB PHE 109 2HB PHE 109 10.969 9.671 11.678 829 2HB PHE 109 1HB PHE 109 12.276 9.160 12.746 830 HD1 PHE 109 1HD PHE 109 12.151 6.876 13.841 831 HD2 PHE 109 2HD PHE 109 9.496 8.087 10.689 832 HE1 PHE 109 1HE PHE 109 11.565 4.502 13.424 833 HE2 PHE 109 2HE PHE 109 8.910 5.713 10.270 834 HZ PHE 109 HZ PHE 109 9.945 3.921 11.638 835 H LYS 110 H LYS 110 9.176 11.436 12.552 836 HA LYS 110 HA LYS 110 6.538 10.153 12.878 837 1HB LYS 110 2HB LYS 110 7.208 13.026 12.186 838 2HB LYS 110 1HB LYS 110 5.596 12.373 12.487 839 1HG LYS 110 2HG LYS 110 6.312 11.734 14.783 840 2HG LYS 110 1HG LYS 110 7.881 12.480 14.477 841 1HD LYS 110 2HD LYS 110 6.627 14.626 13.941 842 2HD LYS 110 1HD LYS 110 5.181 13.842 14.578 843 1HE LYS 110 2HE LYS 110 6.572 13.359 16.685 844 2HE LYS 110 1HE LYS 110 7.731 14.524 16.046 845 1HZ LYS 110 1HZ LYS 110 4.905 14.985 16.796 846 2HZ LYS 110 2HZ LYS 110 5.781 16.083 15.840 847 3HZ LYS 110 3HZ LYS 110 6.290 15.735 17.423 848 H SER 111 H SER 111 5.413 9.483 11.144 849 HA SER 111 HA SER 111 6.578 10.022 8.480 850 1HB SER 111 2HB SER 111 4.925 7.638 9.335 851 2HB SER 111 1HB SER 111 5.713 7.869 7.776 852 HG SER 111 HG SER 111 7.597 7.419 8.656 853 H LYS 112 H LYS 112 5.324 10.867 6.921 854 HA LYS 112 HA LYS 112 2.407 10.957 7.323 855 1HB LYS 112 2HB LYS 112 3.412 13.116 8.086 856 2HB LYS 112 1HB LYS 112 4.061 13.341 6.462 857 1HG LYS 112 2HG LYS 112 1.768 13.228 5.536 858 2HG LYS 112 1HG LYS 112 1.127 13.041 7.169 859 1HD LYS 112 2HD LYS 112 2.209 15.231 7.771 860 2HD LYS 112 1HD LYS 112 2.635 15.429 6.070 861 1HE LYS 112 2HE LYS 112 -0.162 15.176 7.214 862 2HE LYS 112 1HE LYS 112 0.556 16.619 6.497 863 1HZ LYS 112 1HZ LYS 112 0.913 14.784 4.566 864 2HZ LYS 112 2HZ LYS 112 -0.387 15.877 4.629 865 3HZ LYS 112 3HZ LYS 112 -0.575 14.294 5.217 866 H MET 113 H MET 113 1.513 10.015 5.604 867 HA MET 113 HA MET 113 2.768 10.445 2.959 868 1HB MET 113 2HB MET 113 1.533 7.922 4.078 869 2HB MET 113 1HB MET 113 1.942 8.145 2.376 870 1HG MET 113 2HG MET 113 4.294 8.591 3.011 871 2HG MET 113 1HG MET 113 3.879 8.320 4.703 872 1HE MET 113 1HE MET 113 3.323 4.819 5.278 873 2HE MET 113 2HE MET 113 1.880 5.578 4.611 874 3HE MET 113 3HE MET 113 2.950 6.506 5.657 875 H ASP 114 H ASP 114 1.275 10.169 1.134 876 HA ASP 114 HA ASP 114 -1.570 10.335 1.638 877 1HB ASP 114 2HB ASP 114 -0.599 12.683 2.014 878 2HB ASP 114 1HB ASP 114 -0.291 12.701 0.279 879 H ALA 115 H ALA 115 -2.739 10.757 -0.521 880 HA ALA 115 HA ALA 115 -1.181 9.595 -2.749 881 1HB ALA 115 1HB ALA 115 -3.323 8.416 -3.401 882 2HB ALA 115 2HB ALA 115 -3.959 8.861 -1.818 883 3HB ALA 115 3HB ALA 115 -2.549 7.810 -1.939 884 H LEU 116 H LEU 116 -0.908 11.655 -3.672 885 HA LEU 116 HA LEU 116 -3.256 13.254 -4.305 886 1HB LEU 116 2HB LEU 116 -0.453 13.760 -5.285 887 2HB LEU 116 1HB LEU 116 -1.747 14.926 -5.006 888 HG LEU 116 HG LEU 116 -0.373 13.301 -2.844 889 1HD1 LEU 116 1HD1 LEU 116 0.794 15.294 -2.248 890 2HD1 LEU 116 2HD1 LEU 116 -0.196 16.282 -3.321 891 3HD1 LEU 116 3HD1 LEU 116 0.977 15.151 -3.996 892 1HD2 LEU 116 1HD2 LEU 116 -2.556 15.394 -2.841 893 2HD2 LEU 116 2HD2 LEU 116 -1.596 15.048 -1.401 894 3HD2 LEU 116 3HD2 LEU 116 -2.591 13.783 -2.123 895 HA PRO 117 HA PRO 117 -3.860 11.785 -8.402 896 1HB PRO 117 2HB PRO 117 -4.171 14.524 -9.415 897 2HB PRO 117 1HB PRO 117 -5.390 13.247 -9.236 898 1HG PRO 117 2HG PRO 117 -5.395 15.418 -7.686 899 2HG PRO 117 1HG PRO 117 -5.877 13.828 -7.074 900 1HD PRO 117 2HD PRO 117 -3.249 15.264 -6.707 901 2HD PRO 117 1HD PRO 117 -4.234 14.409 -5.499 902 H LEU 118 H LEU 118 -2.905 11.573 -10.477 903 HA LEU 118 HA LEU 118 -0.128 12.371 -10.597 904 1HB LEU 118 2HB LEU 118 -1.833 10.889 -12.614 905 2HB LEU 118 1HB LEU 118 -0.078 11.051 -12.667 906 HG LEU 118 HG LEU 118 -1.396 9.934 -10.209 907 1HD1 LEU 118 1HD1 LEU 118 -0.651 8.360 -12.693 908 2HD1 LEU 118 2HD1 LEU 118 -2.297 8.656 -12.132 909 3HD1 LEU 118 3HD1 LEU 118 -1.197 7.677 -11.162 910 1HD2 LEU 118 1HD2 LEU 118 1.107 10.586 -10.505 911 2HD2 LEU 118 2HD2 LEU 118 1.209 9.130 -11.496 912 3HD2 LEU 118 3HD2 LEU 118 0.736 9.012 -9.801 913 H SER 119 H SER 119 0.348 14.399 -11.168 914 HA SER 119 HA SER 119 -1.366 15.999 -12.825 915 1HB SER 119 2HB SER 119 1.451 16.462 -11.826 916 2HB SER 119 1HB SER 119 0.476 17.664 -12.667 917 HG SER 119 HG SER 119 0.032 16.442 -10.153 918 H GLU 120 H GLU 120 -0.185 17.268 -14.680 919 HA GLU 120 HA GLU 120 0.174 15.535 -16.832 920 1HB GLU 120 2HB GLU 120 0.913 17.454 -18.082 921 2HB GLU 120 1HB GLU 120 -0.340 17.994 -16.965 922 1HG GLU 120 2HG GLU 120 1.301 19.611 -16.619 923 2HG GLU 120 1HG GLU 120 1.690 18.446 -15.355 924 H GLU 121 H GLU 121 2.475 16.765 -14.501 925 HA GLU 121 HA GLU 121 4.885 16.287 -15.813 926 1HB GLU 121 2HB GLU 121 4.590 17.386 -13.567 927 2HB GLU 121 1HB GLU 121 4.372 15.776 -12.877 928 1HG GLU 121 2HG GLU 121 6.696 16.357 -12.616 929 2HG GLU 121 1HG GLU 121 6.598 15.140 -13.887 930 H TYR 122 H TYR 122 2.752 14.056 -14.096 931 HA TYR 122 HA TYR 122 4.463 11.814 -14.083 932 1HB TYR 122 2HB TYR 122 2.559 11.673 -12.695 933 2HB TYR 122 1HB TYR 122 1.467 12.119 -14.006 934 HD1 TYR 122 1HD TYR 122 4.020 9.499 -13.161 935 HD2 TYR 122 2HD TYR 122 0.312 10.428 -15.121 936 HE1 TYR 122 1HE TYR 122 3.745 7.112 -13.772 937 HE2 TYR 122 2HE TYR 122 0.028 8.037 -15.716 938 HH TYR 122 HH TYR 122 1.930 5.562 -14.343 939 H ARG 123 H ARG 123 2.069 12.946 -16.444 940 HA ARG 123 HA ARG 123 2.158 10.775 -18.207 941 1HB ARG 123 2HB ARG 123 1.755 13.710 -18.839 942 2HB ARG 123 1HB ARG 123 1.355 12.369 -19.912 943 1HG ARG 123 2HG ARG 123 -0.154 11.470 -18.110 944 2HG ARG 123 1HG ARG 123 0.144 12.949 -17.196 945 1HD ARG 123 2HD ARG 123 -0.660 14.245 -19.210 946 2HD ARG 123 1HD ARG 123 -1.146 12.711 -19.926 947 HE ARG 123 HE ARG 123 -2.286 12.850 -17.369 948 1HH1 ARG 123 1HH2 ARG 123 -2.397 14.478 -20.419 949 2HH1 ARG 123 2HH2 ARG 123 -4.048 14.974 -20.252 950 1HH2 ARG 123 1HH1 ARG 123 -4.451 13.494 -17.142 951 2HH2 ARG 123 2HH1 ARG 123 -5.211 14.417 -18.395 952 H GLN 124 H GLN 124 4.211 13.652 -17.982 953 HA GLN 124 HA GLN 124 5.759 13.085 -20.309 954 1HB GLN 124 2HB GLN 124 5.588 15.334 -19.228 955 2HB GLN 124 1HB GLN 124 6.559 14.718 -17.891 956 1HG GLN 124 2HG GLN 124 8.392 14.195 -19.442 957 2HG GLN 124 1HG GLN 124 7.423 14.770 -20.797 958 1HE2 GLN 124 1HE2 GLN 124 9.809 16.078 -20.480 959 2HE2 GLN 124 2HE2 GLN 124 9.576 17.616 -19.800 960 H HIS 125 H HIS 125 6.048 12.258 -16.896 961 HA HIS 125 HA HIS 125 8.675 11.275 -16.895 962 1HB HIS 125 2HB HIS 125 7.629 11.562 -14.788 963 2HB HIS 125 1HB HIS 125 6.241 10.579 -15.255 964 HD1 HIS 125 1HD HIS 125 9.826 10.318 -14.166 965 HD2 HIS 125 2HD HIS 125 6.666 7.770 -15.112 966 HE1 HIS 125 1HE HIS 125 10.521 8.004 -13.408 967 HE2 HIS 125 2HE HIS 125 8.605 6.438 -13.980 968 H GLN 126 H GLN 126 5.920 10.116 -18.491 969 HA GLN 126 HA GLN 126 6.700 7.323 -18.516 970 1HB GLN 126 2HB GLN 126 4.604 8.813 -20.114 971 2HB GLN 126 1HB GLN 126 4.804 7.061 -20.072 972 1HG GLN 126 2HG GLN 126 4.331 7.015 -17.686 973 2HG GLN 126 1HG GLN 126 4.272 8.776 -17.630 974 1HE2 GLN 126 1HE2 GLN 126 2.025 7.190 -16.827 975 2HE2 GLN 126 2HE2 GLN 126 0.771 7.443 -17.943 976 H ALA 127 H ALA 127 7.457 10.158 -20.272 977 HA ALA 127 HA ALA 127 7.979 9.050 -22.828 978 1HB ALA 127 1HB ALA 127 7.771 11.458 -22.514 979 2HB ALA 127 2HB ALA 127 9.366 11.082 -23.167 980 3HB ALA 127 3HB ALA 127 9.182 11.466 -21.455 981 H GLU 128 H GLU 128 10.083 9.673 -20.025 982 HA GLU 128 HA GLU 128 12.474 8.737 -21.199 983 1HB GLU 128 2HB GLU 128 13.385 8.761 -18.993 984 2HB GLU 128 1HB GLU 128 12.237 10.099 -19.067 985 1HG GLU 128 2HG GLU 128 11.577 9.107 -17.080 986 2HG GLU 128 1HG GLU 128 10.535 8.253 -18.219 987 H LYS 129 H LYS 129 9.878 7.106 -19.457 988 HA LYS 129 HA LYS 129 11.180 4.611 -19.118 989 1HB LYS 129 2HB LYS 129 8.254 5.359 -19.265 990 2HB LYS 129 1HB LYS 129 8.826 3.734 -18.884 991 1HG LYS 129 2HG LYS 129 10.063 4.591 -16.951 992 2HG LYS 129 1HG LYS 129 9.572 6.239 -17.346 993 1HD LYS 129 2HD LYS 129 8.124 5.341 -15.585 994 2HD LYS 129 1HD LYS 129 7.194 5.576 -17.065 995 1HE LYS 129 2HE LYS 129 8.501 2.921 -16.626 996 2HE LYS 129 1HE LYS 129 7.042 3.294 -15.709 997 1HZ LYS 129 1HZ LYS 129 7.089 2.327 -18.228 998 2HZ LYS 129 2HZ LYS 129 6.875 3.992 -18.495 999 3HZ LYS 129 3HZ LYS 129 5.777 3.137 -17.522 1000 H ASP 130 H ASP 130 9.494 6.086 -21.796 1001 HA ASP 130 HA ASP 130 10.261 3.810 -23.485 1002 1HB ASP 130 2HB ASP 130 7.907 3.431 -22.811 1003 2HB ASP 130 1HB ASP 130 7.481 5.006 -23.476 1004 H LYS 131 H LYS 131 8.127 6.563 -24.131 1005 HA LYS 131 HA LYS 131 10.120 8.199 -25.343 1006 1HB LYS 131 2HB LYS 131 9.993 6.334 -27.015 1007 2HB LYS 131 1HB LYS 131 8.297 6.747 -27.273 1008 1HG LYS 131 2HG LYS 131 8.974 9.053 -27.901 1009 2HG LYS 131 1HG LYS 131 10.666 8.593 -27.703 1010 1HD LYS 131 2HD LYS 131 10.304 6.788 -29.416 1011 2HD LYS 131 1HD LYS 131 8.691 7.444 -29.694 1012 1HE LYS 131 2HE LYS 131 10.353 8.314 -31.330 1013 2HE LYS 131 1HE LYS 131 9.645 9.599 -30.351 1014 1HZ LYS 131 1HZ LYS 131 12.295 9.152 -30.675 1015 2HZ LYS 131 2HZ LYS 131 11.985 8.419 -29.174 1016 3HZ LYS 131 3HZ LYS 131 11.601 10.056 -29.420 Start of MODEL 14 1 H MET 1 1H MET 1 -1.880 -15.105 26.717 2 HA MET 1 HA MET 1 -3.487 -14.791 24.737 3 1HB MET 1 2HB MET 1 -5.426 -15.070 26.425 4 2HB MET 1 1HB MET 1 -4.119 -16.254 26.488 5 1HG MET 1 2HG MET 1 -3.064 -15.033 28.330 6 2HG MET 1 1HG MET 1 -4.309 -13.788 28.242 7 1HE MET 1 1HE MET 1 -4.754 -13.918 30.593 8 2HE MET 1 2HE MET 1 -3.724 -15.279 31.031 9 3HE MET 1 3HE MET 1 -5.419 -15.277 31.510 10 H GLY 2 H GLY 2 -2.379 -12.135 25.220 11 1HA GLY 2 2HA GLY 2 -4.225 -10.446 24.202 12 2HA GLY 2 1HA GLY 2 -4.602 -10.411 25.922 13 H CYS 3 H CYS 3 -2.094 -10.577 27.052 14 HA CYS 3 HA CYS 3 -1.203 -7.921 26.997 15 1HB CYS 3 2HB CYS 3 -0.805 -9.740 28.779 16 2HB CYS 3 1HB CYS 3 0.564 -10.231 27.782 17 HG CYS 3 HG CYS 3 0.360 -7.588 29.375 18 H GLY 4 H GLY 4 -0.163 -10.752 25.182 19 1HA GLY 4 2HA GLY 4 1.167 -9.065 23.240 20 2HA GLY 4 1HA GLY 4 2.256 -10.107 24.152 21 H ALA 5 H ALA 5 -0.327 -9.999 21.802 22 HA ALA 5 HA ALA 5 -0.769 -12.770 21.497 23 1HB ALA 5 1HB ALA 5 -1.003 -10.586 19.413 24 2HB ALA 5 2HB ALA 5 -2.261 -11.031 20.565 25 3HB ALA 5 3HB ALA 5 -1.745 -12.182 19.333 26 H SER 6 H SER 6 1.732 -10.637 20.320 27 HA SER 6 HA SER 6 3.594 -10.995 19.016 28 1HB SER 6 2HB SER 6 4.289 -12.362 20.866 29 2HB SER 6 1HB SER 6 3.262 -13.694 20.339 30 HG SER 6 HG SER 6 5.526 -12.611 19.009 31 H SER 7 H SER 7 4.575 -12.900 17.467 32 HA SER 7 HA SER 7 4.358 -13.652 15.293 33 1HB SER 7 2HB SER 7 2.511 -15.406 15.098 34 2HB SER 7 1HB SER 7 3.717 -15.672 16.354 35 HG SER 7 HG SER 7 1.739 -15.928 17.304 36 H GLU 8 H GLU 8 3.778 -11.374 14.689 37 HA GLU 8 HA GLU 8 1.108 -10.545 14.317 38 1HB GLU 8 2HB GLU 8 3.625 -9.749 12.834 39 2HB GLU 8 1HB GLU 8 2.081 -8.906 12.717 40 1HG GLU 8 2HG GLU 8 3.582 -9.355 15.310 41 2HG GLU 8 1HG GLU 8 3.650 -7.865 14.370 42 H ASN 9 H ASN 9 3.264 -12.511 12.372 43 HA ASN 9 HA ASN 9 2.941 -13.700 10.432 44 1HB ASN 9 2HB ASN 9 0.042 -13.504 11.280 45 2HB ASN 9 1HB ASN 9 0.692 -14.631 10.090 46 1HD2 ASN 9 1HD2 ASN 9 -0.600 -15.297 12.703 47 2HD2 ASN 9 2HD2 ASN 9 0.562 -16.173 13.577 48 H SER 10 H SER 10 3.260 -10.983 10.040 49 HA SER 10 HA SER 10 1.207 -9.842 8.417 50 1HB SER 10 2HB SER 10 2.767 -8.088 7.978 51 2HB SER 10 1HB SER 10 3.033 -8.583 9.648 52 HG SER 10 HG SER 10 4.755 -9.891 8.883 53 H SER 11 H SER 11 1.421 -9.334 6.123 54 HA SER 11 HA SER 11 3.182 -11.071 4.563 55 1HB SER 11 2HB SER 11 0.167 -11.150 4.311 56 2HB SER 11 1HB SER 11 1.300 -11.935 3.214 57 HG SER 11 HG SER 11 1.873 -13.323 4.783 58 H VAL 12 H VAL 12 3.066 -10.553 2.223 59 HA VAL 12 HA VAL 12 2.248 -7.742 1.784 60 HB VAL 12 HB VAL 12 4.621 -9.102 0.496 61 1HG1 VAL 12 1HG1 VAL 12 3.479 -7.099 -0.598 62 2HG1 VAL 12 2HG1 VAL 12 5.194 -6.897 -0.241 63 3HG1 VAL 12 3HG1 VAL 12 3.983 -6.160 0.807 64 1HG2 VAL 12 1HG2 VAL 12 4.550 -7.212 2.873 65 2HG2 VAL 12 2HG2 VAL 12 6.005 -7.828 2.087 66 3HG2 VAL 12 3HG2 VAL 12 4.935 -8.932 2.951 67 H THR 13 H THR 13 1.152 -7.290 -0.065 68 HA THR 13 HA THR 13 0.897 -9.410 -2.096 69 HB THR 13 HB THR 13 -1.042 -9.476 -0.474 70 HG1 THR 13 1HG THR 13 -2.551 -9.557 -2.175 71 1HG2 THR 13 1HG2 THR 13 -2.609 -7.690 -0.422 72 2HG2 THR 13 2HG2 THR 13 -1.861 -6.892 -1.804 73 3HG2 THR 13 3HG2 THR 13 -1.032 -6.920 -0.248 74 H TYR 14 H TYR 14 0.589 -8.684 -4.181 75 HA TYR 14 HA TYR 14 0.463 -5.761 -4.582 76 1HB TYR 14 2HB TYR 14 2.340 -7.696 -5.961 77 2HB TYR 14 1HB TYR 14 2.113 -6.009 -6.426 78 HD1 TYR 14 1HD TYR 14 4.129 -8.163 -4.549 79 HD2 TYR 14 2HD TYR 14 2.237 -4.313 -4.324 80 HE1 TYR 14 1HE TYR 14 5.759 -7.463 -2.816 81 HE2 TYR 14 2HE TYR 14 3.866 -3.614 -2.591 82 HH TYR 14 HH TYR 14 6.581 -5.693 -1.676 83 H VAL 15 H VAL 15 -0.293 -5.136 -6.720 84 HA VAL 15 HA VAL 15 -1.753 -7.235 -8.176 85 HB VAL 15 HB VAL 15 -3.609 -6.510 -7.061 86 1HG1 VAL 15 1HG1 VAL 15 -3.820 -4.189 -6.141 87 2HG1 VAL 15 2HG1 VAL 15 -2.213 -3.832 -6.775 88 3HG1 VAL 15 3HG1 VAL 15 -2.414 -5.053 -5.519 89 1HG2 VAL 15 1HG2 VAL 15 -3.695 -5.741 -9.517 90 2HG2 VAL 15 2HG2 VAL 15 -3.387 -4.118 -8.899 91 3HG2 VAL 15 3HG2 VAL 15 -4.844 -4.986 -8.412 92 H ASN 16 H ASN 16 -1.206 -3.703 -8.157 93 HA ASN 16 HA ASN 16 -1.390 -3.407 -10.965 94 1HB ASN 16 2HB ASN 16 -0.012 -1.671 -8.904 95 2HB ASN 16 1HB ASN 16 -0.335 -1.195 -10.570 96 1HD2 ASN 16 1HD2 ASN 16 -1.525 -0.627 -7.597 97 2HD2 ASN 16 2HD2 ASN 16 -3.183 -0.509 -7.940 98 H GLY 17 H GLY 17 1.211 -4.350 -8.855 99 1HA GLY 17 2HA GLY 17 2.819 -5.520 -10.749 100 2HA GLY 17 1HA GLY 17 3.346 -3.840 -10.705 101 H ARG 18 H ARG 18 4.964 -6.056 -9.967 102 HA ARG 18 HA ARG 18 5.062 -6.060 -7.048 103 1HB ARG 18 2HB ARG 18 6.475 -7.576 -9.222 104 2HB ARG 18 1HB ARG 18 7.131 -7.553 -7.584 105 1HG ARG 18 2HG ARG 18 5.586 -9.487 -8.019 106 2HG ARG 18 1HG ARG 18 5.070 -8.457 -6.683 107 1HD ARG 18 2HD ARG 18 3.246 -9.111 -8.339 108 2HD ARG 18 1HD ARG 18 3.409 -7.387 -8.021 109 HE ARG 18 HE ARG 18 4.044 -7.102 -10.233 110 1HH1 ARG 18 1HH2 ARG 18 4.334 -10.416 -9.280 111 2HH1 ARG 18 2HH2 ARG 18 4.701 -10.986 -10.874 112 1HH2 ARG 18 1HH1 ARG 18 4.523 -7.842 -12.327 113 2HH2 ARG 18 2HH1 ARG 18 4.807 -9.528 -12.599 114 HA PRO 19 HA PRO 19 8.170 -2.965 -6.796 115 1HB PRO 19 2HB PRO 19 9.393 -3.644 -4.468 116 2HB PRO 19 1HB PRO 19 7.743 -2.996 -4.526 117 1HG PRO 19 2HG PRO 19 8.665 -5.800 -4.171 118 2HG PRO 19 1HG PRO 19 7.306 -4.952 -3.418 119 1HD PRO 19 2HD PRO 19 7.048 -6.709 -5.540 120 2HD PRO 19 1HD PRO 19 5.880 -5.425 -5.160 121 H THR 20 H THR 20 10.123 -2.656 -7.720 122 HA THR 20 HA THR 20 11.701 -4.836 -8.641 123 HB THR 20 HB THR 20 12.452 -1.910 -8.448 124 HG1 THR 20 1HG THR 20 11.323 -1.641 -10.215 125 1HG2 THR 20 1HG2 THR 20 14.404 -3.222 -8.890 126 2HG2 THR 20 2HG2 THR 20 13.879 -2.580 -10.446 127 3HG2 THR 20 3HG2 THR 20 13.531 -4.256 -10.021 128 H PHE 21 H PHE 21 11.822 -2.772 -5.818 129 HA PHE 21 HA PHE 21 14.358 -4.031 -4.985 130 1HB PHE 21 2HB PHE 21 14.259 -1.537 -5.022 131 2HB PHE 21 1HB PHE 21 12.976 -1.606 -3.815 132 HD1 PHE 21 1HD PHE 21 13.443 -2.100 -1.512 133 HD2 PHE 21 2HD PHE 21 16.544 -2.378 -4.471 134 HE1 PHE 21 1HE PHE 21 15.141 -2.296 0.286 135 HE2 PHE 21 2HE PHE 21 18.242 -2.573 -2.673 136 HZ PHE 21 HZ PHE 21 17.540 -2.532 -0.295 137 H VAL 22 H VAL 22 14.388 -5.441 -3.340 138 HA VAL 22 HA VAL 22 12.029 -5.590 -1.569 139 HB VAL 22 HB VAL 22 13.419 -8.124 -2.256 140 1HG1 VAL 22 1HG1 VAL 22 10.484 -7.406 -2.017 141 2HG1 VAL 22 2HG1 VAL 22 11.487 -7.883 -0.648 142 3HG1 VAL 22 3HG1 VAL 22 11.193 -9.020 -1.963 143 1HG2 VAL 22 1HG2 VAL 22 13.223 -7.183 -4.474 144 2HG2 VAL 22 2HG2 VAL 22 11.585 -6.617 -4.144 145 3HG2 VAL 22 3HG2 VAL 22 11.912 -8.345 -4.277 146 H GLY 23 H GLY 23 12.550 -5.525 0.520 147 1HA GLY 23 2HA GLY 23 15.367 -5.995 1.274 148 2HA GLY 23 1HA GLY 23 14.242 -4.966 2.156 149 H GLU 24 H GLU 24 13.311 -5.810 3.913 150 HA GLU 24 HA GLU 24 12.850 -8.705 4.065 151 1HB GLU 24 2HB GLU 24 15.079 -8.220 5.100 152 2HB GLU 24 1HB GLU 24 14.261 -7.171 6.258 153 1HG GLU 24 2HG GLU 24 12.862 -9.082 6.984 154 2HG GLU 24 1HG GLU 24 13.720 -10.127 5.852 155 H GLU 25 H GLU 25 12.658 -5.762 6.086 156 HA GLU 25 HA GLU 25 10.098 -6.619 7.164 157 1HB GLU 25 2HB GLU 25 11.834 -5.466 8.556 158 2HB GLU 25 1HB GLU 25 11.561 -4.007 7.603 159 1HG GLU 25 2HG GLU 25 9.160 -4.069 8.240 160 2HG GLU 25 1HG GLU 25 9.482 -5.478 9.249 161 H VAL 26 H VAL 26 8.350 -6.373 5.922 162 HA VAL 26 HA VAL 26 8.137 -3.941 4.255 163 HB VAL 26 HB VAL 26 6.496 -6.446 3.911 164 1HG1 VAL 26 1HG1 VAL 26 5.707 -4.417 2.781 165 2HG1 VAL 26 2HG1 VAL 26 6.334 -5.562 1.595 166 3HG1 VAL 26 3HG1 VAL 26 7.305 -4.170 2.075 167 1HG2 VAL 26 1HG2 VAL 26 9.255 -5.782 2.853 168 2HG2 VAL 26 2HG2 VAL 26 8.196 -6.955 2.067 169 3HG2 VAL 26 3HG2 VAL 26 8.748 -7.234 3.719 170 H THR 27 H THR 27 6.265 -2.713 4.315 171 HA THR 27 HA THR 27 4.122 -3.484 6.153 172 HB THR 27 HB THR 27 4.466 -0.863 6.875 173 HG1 THR 27 1HG THR 27 7.009 -1.759 7.297 174 1HG2 THR 27 1HG2 THR 27 3.970 -2.685 8.406 175 2HG2 THR 27 2HG2 THR 27 5.395 -1.824 8.988 176 3HG2 THR 27 3HG2 THR 27 5.576 -3.371 8.162 177 H LYS 28 H LYS 28 2.362 -1.728 6.107 178 HA LYS 28 HA LYS 28 2.204 -0.538 3.405 179 1HB LYS 28 2HB LYS 28 -0.330 -1.041 3.669 180 2HB LYS 28 1HB LYS 28 0.747 -2.362 3.214 181 1HG LYS 28 2HG LYS 28 0.894 -3.048 5.591 182 2HG LYS 28 1HG LYS 28 -0.220 -1.750 6.023 183 1HD LYS 28 2HD LYS 28 -1.912 -2.754 4.475 184 2HD LYS 28 1HD LYS 28 -0.809 -4.105 4.207 185 1HE LYS 28 2HE LYS 28 -1.993 -3.268 6.870 186 2HE LYS 28 1HE LYS 28 -2.430 -4.702 5.940 187 1HZ LYS 28 1HZ LYS 28 -0.088 -4.194 7.576 188 2HZ LYS 28 2HZ LYS 28 0.205 -5.004 6.112 189 3HZ LYS 28 3HZ LYS 28 -0.884 -5.653 7.242 190 H GLY 29 H GLY 29 2.511 1.575 3.908 191 1HA GLY 29 2HA GLY 29 1.940 3.022 6.129 192 2HA GLY 29 1HA GLY 29 1.776 3.693 4.509 193 H PHE 30 H PHE 30 -0.338 3.054 3.381 194 HA PHE 30 HA PHE 30 -2.518 3.887 5.054 195 1HB PHE 30 2HB PHE 30 -2.579 2.849 2.211 196 2HB PHE 30 1HB PHE 30 -3.855 3.756 3.026 197 HD1 PHE 30 1HD PHE 30 -3.588 6.142 3.533 198 HD2 PHE 30 2HD PHE 30 -0.527 3.940 1.477 199 HE1 PHE 30 1HE PHE 30 -2.503 8.271 2.868 200 HE2 PHE 30 2HE PHE 30 0.558 6.068 0.812 201 HZ PHE 30 HZ PHE 30 -0.431 8.234 1.507 202 H GLU 31 H GLU 31 -3.943 2.668 6.123 203 HA GLU 31 HA GLU 31 -3.685 -0.228 6.018 204 1HB GLU 31 2HB GLU 31 -5.462 1.536 7.722 205 2HB GLU 31 1HB GLU 31 -5.229 -0.201 7.930 206 1HG GLU 31 2HG GLU 31 -3.006 1.856 8.059 207 2HG GLU 31 1HG GLU 31 -3.802 1.154 9.467 208 H LYS 32 H LYS 32 -5.171 1.814 4.050 209 HA LYS 32 HA LYS 32 -7.695 0.299 3.871 210 1HB LYS 32 2HB LYS 32 -7.597 2.892 3.986 211 2HB LYS 32 1HB LYS 32 -7.079 2.788 2.303 212 1HG LYS 32 2HG LYS 32 -9.115 1.311 1.899 213 2HG LYS 32 1HG LYS 32 -9.666 1.785 3.506 214 1HD LYS 32 2HD LYS 32 -8.971 3.745 1.301 215 2HD LYS 32 1HD LYS 32 -10.611 3.216 1.675 216 1HE LYS 32 2HE LYS 32 -10.097 3.976 4.092 217 2HE LYS 32 1HE LYS 32 -8.730 4.838 3.388 218 1HZ LYS 32 1HZ LYS 32 -11.612 5.232 2.884 219 2HZ LYS 32 2HZ LYS 32 -10.447 5.767 1.770 220 3HZ LYS 32 3HZ LYS 32 -10.453 6.375 3.357 221 H ASP 33 H ASP 33 -8.439 -0.360 1.754 222 HA ASP 33 HA ASP 33 -8.162 -1.485 -0.230 223 1HB ASP 33 2HB ASP 33 -5.980 0.588 -0.555 224 2HB ASP 33 1HB ASP 33 -6.562 -0.464 -1.844 225 H ASN 34 H ASN 34 -6.073 -2.305 -1.711 226 HA ASN 34 HA ASN 34 -5.060 -4.511 -0.388 227 1HB ASN 34 2HB ASN 34 -3.827 -3.000 -2.703 228 2HB ASN 34 1HB ASN 34 -3.383 -4.634 -2.208 229 1HD2 ASN 34 1HD2 ASN 34 -6.662 -4.309 -1.600 230 2HD2 ASN 34 2HD2 ASN 34 -7.265 -4.949 -3.052 231 H GLY 35 H GLY 35 -3.795 -1.240 -0.529 232 1HA GLY 35 2HA GLY 35 -2.443 -1.101 1.788 233 2HA GLY 35 1HA GLY 35 -1.295 -1.964 0.769 234 H LEU 36 H LEU 36 -2.392 -0.471 -1.622 235 HA LEU 36 HA LEU 36 -1.865 1.402 -2.839 236 1HB LEU 36 2HB LEU 36 -1.736 2.854 -0.193 237 2HB LEU 36 1HB LEU 36 -2.100 3.529 -1.781 238 HG LEU 36 HG LEU 36 -3.802 1.546 -0.242 239 1HD1 LEU 36 1HD1 LEU 36 -4.410 4.385 -1.111 240 2HD1 LEU 36 2HD1 LEU 36 -3.831 3.962 0.500 241 3HD1 LEU 36 3HD1 LEU 36 -5.389 3.357 -0.064 242 1HD2 LEU 36 1HD2 LEU 36 -4.115 0.973 -2.509 243 2HD2 LEU 36 2HD2 LEU 36 -3.943 2.643 -3.048 244 3HD2 LEU 36 3HD2 LEU 36 -5.406 2.135 -2.205 245 H LEU 37 H LEU 37 -0.099 2.280 0.111 246 HA LEU 37 HA LEU 37 2.391 2.240 -1.477 247 1HB LEU 37 2HB LEU 37 1.768 4.446 -0.579 248 2HB LEU 37 1HB LEU 37 1.740 3.774 1.052 249 HG LEU 37 HG LEU 37 4.127 3.166 0.840 250 1HD1 LEU 37 1HD1 LEU 37 3.642 4.171 -1.935 251 2HD1 LEU 37 2HD1 LEU 37 4.619 2.807 -1.392 252 3HD1 LEU 37 3HD1 LEU 37 5.228 4.453 -1.217 253 1HD2 LEU 37 1HD2 LEU 37 3.633 5.329 1.817 254 2HD2 LEU 37 2HD2 LEU 37 3.423 6.051 0.221 255 3HD2 LEU 37 3HD2 LEU 37 5.022 5.523 0.747 256 H PHE 38 H PHE 38 3.896 0.782 -0.991 257 HA PHE 38 HA PHE 38 3.712 -0.608 1.612 258 1HB PHE 38 2HB PHE 38 4.855 -1.578 -1.019 259 2HB PHE 38 1HB PHE 38 4.861 -2.490 0.490 260 HD1 PHE 38 1HD PHE 38 2.775 -1.177 -2.244 261 HD2 PHE 38 2HD PHE 38 2.796 -3.395 1.434 262 HE1 PHE 38 1HE PHE 38 0.476 -1.978 -2.714 263 HE2 PHE 38 2HE PHE 38 0.497 -4.196 0.964 264 HZ PHE 38 HZ PHE 38 -0.664 -3.487 -1.110 265 H ARG 39 H ARG 39 5.328 -0.308 3.002 266 HA ARG 39 HA ARG 39 7.691 1.172 2.156 267 1HB ARG 39 2HB ARG 39 6.475 1.728 4.268 268 2HB ARG 39 1HB ARG 39 6.960 0.159 4.912 269 1HG ARG 39 2HG ARG 39 9.329 0.756 4.616 270 2HG ARG 39 1HG ARG 39 8.858 2.320 3.949 271 1HD ARG 39 2HD ARG 39 9.390 2.658 6.276 272 2HD ARG 39 1HD ARG 39 7.641 2.785 6.106 273 HE ARG 39 HE ARG 39 8.340 0.108 6.721 274 1HH1 ARG 39 1HH2 ARG 39 8.216 3.290 8.075 275 2HH1 ARG 39 2HH2 ARG 39 7.963 2.740 9.698 276 1HH2 ARG 39 1HH1 ARG 39 8.008 -0.622 8.846 277 2HH2 ARG 39 2HH1 ARG 39 7.845 0.525 10.135 278 H ILE 40 H ILE 40 9.582 0.267 1.678 279 HA ILE 40 HA ILE 40 10.026 -2.548 2.474 280 HB ILE 40 HB ILE 40 11.309 -1.141 0.129 281 1HG1 ILE 40 2HG1 ILE 40 8.826 -2.888 0.174 282 2HG1 ILE 40 1HG1 ILE 40 8.848 -1.154 -0.149 283 1HG2 ILE 40 1HG2 ILE 40 10.892 -4.071 0.794 284 2HG2 ILE 40 2HG2 ILE 40 12.400 -3.189 1.032 285 3HG2 ILE 40 3HG2 ILE 40 11.769 -3.434 -0.597 286 1HD1 ILE 40 1HD1 ILE 40 8.900 -1.979 -2.317 287 2HD1 ILE 40 2HD1 ILE 40 9.819 -3.413 -1.860 288 3HD1 ILE 40 3HD1 ILE 40 10.627 -1.851 -1.986 289 H VAL 41 H VAL 41 11.708 -2.955 3.765 290 HA VAL 41 HA VAL 41 13.878 -0.959 3.935 291 HB VAL 41 HB VAL 41 12.610 -2.388 6.284 292 1HG1 VAL 41 1HG1 VAL 41 14.890 -0.426 5.983 293 2HG1 VAL 41 2HG1 VAL 41 14.903 -1.999 6.783 294 3HG1 VAL 41 3HG1 VAL 41 14.043 -0.644 7.515 295 1HG2 VAL 41 1HG2 VAL 41 12.534 0.559 5.577 296 2HG2 VAL 41 2HG2 VAL 41 11.661 -0.252 6.878 297 3HG2 VAL 41 3HG2 VAL 41 11.225 -0.560 5.197 298 H ASN 42 H ASN 42 15.840 -1.816 3.697 299 HA ASN 42 HA ASN 42 16.120 -4.747 3.922 300 1HB ASN 42 2HB ASN 42 16.630 -3.556 1.720 301 2HB ASN 42 1HB ASN 42 18.032 -2.869 2.538 302 1HD2 ASN 42 1HD2 ASN 42 16.560 -6.169 2.598 303 2HD2 ASN 42 2HD2 ASN 42 18.005 -6.971 2.208 304 H LYS 43 H LYS 43 16.736 -5.165 5.978 305 HA LYS 43 HA LYS 43 18.203 -3.525 7.683 306 1HB LYS 43 2HB LYS 43 18.084 -6.549 7.595 307 2HB LYS 43 1HB LYS 43 18.698 -5.601 8.951 308 1HG LYS 43 2HG LYS 43 16.493 -4.472 9.134 309 2HG LYS 43 1HG LYS 43 15.884 -5.486 7.824 310 1HD LYS 43 2HD LYS 43 15.195 -6.643 9.753 311 2HD LYS 43 1HD LYS 43 16.682 -7.477 9.298 312 1HE LYS 43 2HE LYS 43 17.951 -6.329 10.962 313 2HE LYS 43 1HE LYS 43 16.655 -5.169 11.251 314 1HZ LYS 43 1HZ LYS 43 15.682 -7.789 11.610 315 2HZ LYS 43 2HZ LYS 43 15.774 -6.524 12.740 316 3HZ LYS 43 3HZ LYS 43 17.084 -7.587 12.543 317 H LYS 44 H LYS 44 19.279 -5.669 5.140 318 HA LYS 44 HA LYS 44 21.959 -6.014 5.817 319 1HB LYS 44 2HB LYS 44 20.339 -6.524 3.580 320 2HB LYS 44 1HB LYS 44 21.670 -5.533 2.981 321 1HG LYS 44 2HG LYS 44 22.074 -7.963 4.743 322 2HG LYS 44 1HG LYS 44 22.128 -8.024 2.981 323 1HD LYS 44 2HD LYS 44 23.790 -5.959 4.364 324 2HD LYS 44 1HD LYS 44 24.341 -7.634 4.409 325 1HE LYS 44 2HE LYS 44 24.465 -7.772 2.042 326 2HE LYS 44 1HE LYS 44 23.512 -6.304 1.828 327 1HZ LYS 44 1HZ LYS 44 25.729 -5.686 1.464 328 2HZ LYS 44 2HZ LYS 44 26.291 -6.549 2.815 329 3HZ LYS 44 3HZ LYS 44 25.374 -5.134 3.029 330 H LYS 45 H LYS 45 20.844 -3.663 3.376 331 HA LYS 45 HA LYS 45 23.190 -2.009 3.928 332 1HB LYS 45 2HB LYS 45 21.018 -1.791 1.830 333 2HB LYS 45 1HB LYS 45 22.412 -0.717 1.951 334 1HG LYS 45 2HG LYS 45 23.911 -2.703 1.741 335 2HG LYS 45 1HG LYS 45 22.485 -3.712 1.491 336 1HD LYS 45 2HD LYS 45 21.875 -2.296 -0.473 337 2HD LYS 45 1HD LYS 45 23.380 -1.401 -0.256 338 1HE LYS 45 2HE LYS 45 23.836 -3.068 -1.913 339 2HE LYS 45 1HE LYS 45 24.588 -3.639 -0.423 340 1HZ LYS 45 1HZ LYS 45 22.135 -4.667 -0.199 341 2HZ LYS 45 2HZ LYS 45 23.448 -5.498 -0.883 342 3HZ LYS 45 3HZ LYS 45 22.325 -4.708 -1.883 343 H LYS 46 H LYS 46 20.118 -2.287 5.137 344 HA LYS 46 HA LYS 46 18.738 -0.916 6.360 345 1HB LYS 46 2HB LYS 46 21.486 0.061 6.822 346 2HB LYS 46 1HB LYS 46 20.204 1.205 7.223 347 1HG LYS 46 2HG LYS 46 20.007 -1.657 8.128 348 2HG LYS 46 1HG LYS 46 20.977 -0.503 9.044 349 1HD LYS 46 2HD LYS 46 19.143 0.728 9.706 350 2HD LYS 46 1HD LYS 46 18.225 0.338 8.250 351 1HE LYS 46 2HE LYS 46 17.522 -0.753 10.524 352 2HE LYS 46 1HE LYS 46 17.559 -1.751 9.070 353 1HZ LYS 46 1HZ LYS 46 18.801 -3.048 10.423 354 2HZ LYS 46 2HZ LYS 46 19.346 -1.751 11.376 355 3HZ LYS 46 3HZ LYS 46 20.050 -2.048 9.858 356 H GLN 47 H GLN 47 18.857 -0.482 3.504 357 HA GLN 47 HA GLN 47 18.484 2.435 3.296 358 1HB GLN 47 2HB GLN 47 18.572 2.079 0.864 359 2HB GLN 47 1HB GLN 47 20.009 1.425 1.652 360 1HG GLN 47 2HG GLN 47 18.712 -0.808 1.731 361 2HG GLN 47 1HG GLN 47 17.635 -0.071 0.546 362 1HE2 GLN 47 1HE2 GLN 47 20.536 1.371 -0.069 363 2HE2 GLN 47 2HE2 GLN 47 21.155 0.296 -1.227 364 H TRP 48 H TRP 48 16.498 3.259 3.200 365 HA TRP 48 HA TRP 48 14.206 1.476 3.164 366 1HB TRP 48 2HB TRP 48 14.501 4.464 3.494 367 2HB TRP 48 1HB TRP 48 12.936 3.653 3.446 368 HD1 TRP 48 HD TRP 48 15.590 1.584 5.028 369 HE1 TRP 48 1HE TRP 48 15.290 1.556 7.588 370 HE3 TRP 48 3HE TRP 48 12.133 5.307 5.552 371 HZ2 TRP 48 2HZ TRP 48 13.782 2.931 9.594 372 HZ3 TRP 48 3HZ TRP 48 11.283 5.927 7.795 373 HH2 TRP 48 HH TRP 48 12.103 4.745 9.815 374 H ALA 49 H ALA 49 12.591 1.427 1.618 375 HA ALA 49 HA ALA 49 12.913 3.049 -0.804 376 1HB ALA 49 1HB ALA 49 14.113 1.198 -1.569 377 2HB ALA 49 2HB ALA 49 12.474 0.835 -2.111 378 3HB ALA 49 3HB ALA 49 13.119 0.055 -0.666 379 H TYR 50 H TYR 50 11.004 3.166 -2.087 380 HA TYR 50 HA TYR 50 8.574 2.120 -0.769 381 1HB TYR 50 2HB TYR 50 9.129 4.897 -1.799 382 2HB TYR 50 1HB TYR 50 7.486 4.291 -1.590 383 HD1 TYR 50 1HD TYR 50 6.939 3.205 0.730 384 HD2 TYR 50 2HD TYR 50 10.246 5.854 0.024 385 HE1 TYR 50 1HE TYR 50 7.062 3.698 3.157 386 HE2 TYR 50 2HE TYR 50 10.369 6.346 2.451 387 HH TYR 50 HH TYR 50 8.413 6.199 4.456 388 H TYR 51 H TYR 51 6.948 1.411 -2.099 389 HA TYR 51 HA TYR 51 7.458 1.537 -5.010 390 1HB TYR 51 2HB TYR 51 7.969 -0.704 -4.359 391 2HB TYR 51 1HB TYR 51 6.535 -0.804 -3.338 392 HD1 TYR 51 1HD TYR 51 4.438 -1.459 -4.230 393 HD2 TYR 51 2HD TYR 51 7.667 -0.438 -6.872 394 HE1 TYR 51 1HE TYR 51 3.118 -2.284 -6.161 395 HE2 TYR 51 2HE TYR 51 6.348 -1.262 -8.804 396 HH TYR 51 HH TYR 51 3.252 -2.896 -8.350 397 H ASN 52 H ASN 52 5.818 2.324 -6.177 398 HA ASN 52 HA ASN 52 3.272 2.853 -4.820 399 1HB ASN 52 2HB ASN 52 4.293 4.751 -5.932 400 2HB ASN 52 1HB ASN 52 4.401 3.850 -7.443 401 1HD2 ASN 52 1HD2 ASN 52 2.248 5.684 -5.373 402 2HD2 ASN 52 2HD2 ASN 52 0.895 5.608 -6.395 403 H ASP 53 H ASP 53 1.346 1.998 -5.446 404 HA ASP 53 HA ASP 53 1.440 -0.039 -7.588 405 1HB ASP 53 2HB ASP 53 -0.306 -1.227 -6.396 406 2HB ASP 53 1HB ASP 53 1.034 -0.917 -5.292 407 H THR 54 H THR 54 -0.503 2.514 -6.092 408 HA THR 54 HA THR 54 -2.736 2.385 -7.789 409 HB THR 54 HB THR 54 -2.952 4.868 -7.183 410 HG1 THR 54 1HG THR 54 -0.692 5.146 -6.828 411 1HG2 THR 54 1HG2 THR 54 -2.577 2.860 -4.944 412 2HG2 THR 54 2HG2 THR 54 -4.031 3.019 -5.931 413 3HG2 THR 54 3HG2 THR 54 -3.541 4.336 -4.865 414 H THR 55 H THR 55 -2.812 2.608 -9.923 415 HA THR 55 HA THR 55 -0.671 4.023 -11.324 416 HB THR 55 HB THR 55 -1.585 3.032 -13.334 417 HG1 THR 55 1HG THR 55 -3.827 3.197 -12.083 418 1HG2 THR 55 1HG2 THR 55 -0.207 1.587 -11.876 419 2HG2 THR 55 2HG2 THR 55 -1.426 0.652 -12.741 420 3HG2 THR 55 3HG2 THR 55 -1.665 1.050 -11.040 421 H GLN 56 H GLN 56 -3.281 5.068 -9.799 422 HA GLN 56 HA GLN 56 -3.964 7.053 -11.886 423 1HB GLN 56 2HB GLN 56 -6.101 7.228 -10.303 424 2HB GLN 56 1HB GLN 56 -6.009 6.044 -11.607 425 1HG GLN 56 2HG GLN 56 -5.024 5.405 -8.827 426 2HG GLN 56 1HG GLN 56 -6.714 5.182 -9.280 427 1HE2 GLN 56 1HE2 GLN 56 -6.552 4.176 -11.861 428 2HE2 GLN 56 2HE2 GLN 56 -5.690 2.714 -11.868 429 H TYR 57 H TYR 57 -2.826 6.468 -8.693 430 HA TYR 57 HA TYR 57 -2.633 9.380 -8.260 431 1HB TYR 57 2HB TYR 57 -3.041 7.596 -5.901 432 2HB TYR 57 1HB TYR 57 -3.481 9.291 -6.120 433 HD1 TYR 57 1HD TYR 57 -5.245 9.722 -8.079 434 HD2 TYR 57 2HD TYR 57 -4.742 6.004 -5.985 435 HE1 TYR 57 1HE TYR 57 -7.539 9.044 -8.731 436 HE2 TYR 57 2HE TYR 57 -7.036 5.327 -6.638 437 HH TYR 57 HH TYR 57 -8.735 5.806 -8.144 438 H GLU 58 H GLU 58 -0.728 10.083 -7.389 439 HA GLU 58 HA GLU 58 1.431 8.116 -7.224 440 1HB GLU 58 2HB GLU 58 2.873 10.173 -7.046 441 2HB GLU 58 1HB GLU 58 1.928 10.072 -8.532 442 1HG GLU 58 2HG GLU 58 0.735 11.471 -6.169 443 2HG GLU 58 1HG GLU 58 1.966 12.309 -7.112 444 H MET 59 H MET 59 2.703 7.796 -5.404 445 HA MET 59 HA MET 59 1.415 8.534 -2.874 446 1HB MET 59 2HB MET 59 3.349 6.405 -3.718 447 2HB MET 59 1HB MET 59 3.249 6.869 -2.019 448 1HG MET 59 2HG MET 59 1.708 4.949 -2.846 449 2HG MET 59 1HG MET 59 0.991 6.213 -1.846 450 1HE MET 59 1HE MET 59 -1.020 4.444 -3.650 451 2HE MET 59 2HE MET 59 -2.036 5.854 -3.939 452 3HE MET 59 3HE MET 59 -1.201 5.681 -2.397 453 H HIS 60 H HIS 60 2.124 10.278 -1.844 454 HA HIS 60 HA HIS 60 4.850 11.250 -2.327 455 1HB HIS 60 2HB HIS 60 2.402 12.472 -1.054 456 2HB HIS 60 1HB HIS 60 3.993 13.224 -0.941 457 HD1 HIS 60 1HD HIS 60 4.437 14.854 -2.763 458 HD2 HIS 60 2HD HIS 60 1.831 11.851 -4.016 459 HE1 HIS 60 1HE HIS 60 3.816 15.397 -5.158 460 HE2 HIS 60 2HE HIS 60 2.227 13.575 -5.935 461 H VAL 61 H VAL 61 6.445 10.930 -0.909 462 HA VAL 61 HA VAL 61 5.755 9.810 1.727 463 HB VAL 61 HB VAL 61 8.303 9.738 0.101 464 1HG1 VAL 61 1HG1 VAL 61 7.712 8.877 2.939 465 2HG1 VAL 61 2HG1 VAL 61 9.019 9.915 2.368 466 3HG1 VAL 61 3HG1 VAL 61 9.041 8.189 2.005 467 1HG2 VAL 61 1HG2 VAL 61 7.861 7.316 0.095 468 2HG2 VAL 61 2HG2 VAL 61 6.486 8.189 -0.580 469 3HG2 VAL 61 3HG2 VAL 61 6.413 7.568 1.069 470 H LEU 62 H LEU 62 6.100 10.929 3.537 471 HA LEU 62 HA LEU 62 8.060 13.114 3.549 472 1HB LEU 62 2HB LEU 62 5.851 14.125 3.018 473 2HB LEU 62 1HB LEU 62 5.211 13.450 4.517 474 HG LEU 62 HG LEU 62 7.078 14.675 5.733 475 1HD1 LEU 62 1HD1 LEU 62 7.821 16.741 4.292 476 2HD1 LEU 62 2HD1 LEU 62 7.447 15.689 2.926 477 3HD1 LEU 62 3HD1 LEU 62 8.669 15.205 4.104 478 1HD2 LEU 62 1HD2 LEU 62 4.697 15.478 5.570 479 2HD2 LEU 62 2HD2 LEU 62 5.167 16.434 4.164 480 3HD2 LEU 62 3HD2 LEU 62 5.871 16.782 5.744 481 H VAL 63 H VAL 63 9.359 11.879 4.913 482 HA VAL 63 HA VAL 63 8.202 11.223 7.554 483 HB VAL 63 HB VAL 63 10.645 10.032 6.219 484 1HG1 VAL 63 1HG1 VAL 63 10.742 10.011 8.677 485 2HG1 VAL 63 2HG1 VAL 63 10.472 8.381 8.061 486 3HG1 VAL 63 3HG1 VAL 63 9.131 9.298 8.745 487 1HG2 VAL 63 1HG2 VAL 63 8.304 9.536 5.232 488 2HG2 VAL 63 2HG2 VAL 63 8.001 8.666 6.737 489 3HG2 VAL 63 3HG2 VAL 63 9.310 8.154 5.670 490 H THR 64 H THR 64 9.046 12.135 9.338 491 HA THR 64 HA THR 64 11.403 13.885 8.987 492 HB THR 64 HB THR 64 9.185 14.060 11.043 493 HG1 THR 64 1HG THR 64 8.236 15.302 9.656 494 1HG2 THR 64 1HG2 THR 64 11.153 14.979 12.006 495 2HG2 THR 64 2HG2 THR 64 10.273 16.364 11.356 496 3HG2 THR 64 3HG2 THR 64 11.653 15.705 10.479 497 H PHE 65 H PHE 65 13.144 13.648 10.310 498 HA PHE 65 HA PHE 65 12.982 11.519 12.360 499 1HB PHE 65 2HB PHE 65 15.543 12.194 10.956 500 2HB PHE 65 1HB PHE 65 15.056 10.683 11.725 501 HD1 PHE 65 1HD PHE 65 13.598 9.093 10.585 502 HD2 PHE 65 2HD PHE 65 14.744 12.786 8.715 503 HE1 PHE 65 1HE PHE 65 12.779 8.243 8.404 504 HE2 PHE 65 2HE PHE 65 13.925 11.936 6.534 505 HZ PHE 65 HZ PHE 65 12.943 9.664 6.378 506 H ASN 66 H ASN 66 14.705 11.717 14.049 507 HA ASN 66 HA ASN 66 14.735 14.440 15.059 508 1HB ASN 66 2HB ASN 66 14.298 12.345 16.455 509 2HB ASN 66 1HB ASN 66 16.028 12.028 16.329 510 1HD2 ASN 66 1HD2 ASN 66 17.292 12.989 17.926 511 2HD2 ASN 66 2HD2 ASN 66 16.815 14.316 18.873 512 H GLU 67 H GLU 67 16.678 15.497 15.787 513 HA GLU 67 HA GLU 67 18.677 15.759 13.907 514 1HB GLU 67 2HB GLU 67 18.480 17.439 15.580 515 2HB GLU 67 1HB GLU 67 18.708 16.272 16.882 516 1HG GLU 67 2HG GLU 67 21.005 15.987 16.380 517 2HG GLU 67 1HG GLU 67 20.835 16.731 14.791 518 H ASP 68 H ASP 68 18.822 13.842 16.913 519 HA ASP 68 HA ASP 68 21.377 12.703 16.260 520 1HB ASP 68 2HB ASP 68 20.948 11.254 18.227 521 2HB ASP 68 1HB ASP 68 20.711 12.964 18.589 522 H CYS 69 H CYS 69 20.696 11.993 14.060 523 HA CYS 69 HA CYS 69 19.955 9.181 14.156 524 1HB CYS 69 2HB CYS 69 18.389 11.083 12.400 525 2HB CYS 69 1HB CYS 69 18.141 9.346 12.577 526 HG CYS 69 HG CYS 69 16.800 11.312 14.284 527 H ASP 70 H ASP 70 21.551 8.261 13.047 528 HA ASP 70 HA ASP 70 23.058 9.694 11.053 529 1HB ASP 70 2HB ASP 70 23.990 7.945 12.640 530 2HB ASP 70 1HB ASP 70 23.175 6.735 11.651 531 H ILE 71 H ILE 71 21.298 10.173 9.577 532 HA ILE 71 HA ILE 71 20.634 7.868 7.845 533 HB ILE 71 HB ILE 71 18.510 9.010 7.316 534 1HG1 ILE 71 2HG1 ILE 71 19.426 10.955 9.460 535 2HG1 ILE 71 1HG1 ILE 71 19.248 11.320 7.743 536 1HG2 ILE 71 1HG2 ILE 71 18.932 8.693 10.303 537 2HG2 ILE 71 2HG2 ILE 71 18.676 7.351 9.186 538 3HG2 ILE 71 3HG2 ILE 71 17.404 8.547 9.436 539 1HD1 ILE 71 1HD1 ILE 71 16.803 10.536 8.023 540 2HD1 ILE 71 2HD1 ILE 71 17.234 12.102 8.711 541 3HD1 ILE 71 3HD1 ILE 71 17.090 10.688 9.756 542 H LYS 72 H LYS 72 20.483 8.302 5.590 543 HA LYS 72 HA LYS 72 21.726 10.842 4.729 544 1HB LYS 72 2HB LYS 72 22.350 8.095 3.620 545 2HB LYS 72 1HB LYS 72 23.050 9.622 3.082 546 1HG LYS 72 2HG LYS 72 24.202 9.942 5.137 547 2HG LYS 72 1HG LYS 72 23.252 8.698 5.951 548 1HD LYS 72 2HD LYS 72 25.585 7.969 5.308 549 2HD LYS 72 1HD LYS 72 24.299 6.950 4.659 550 1HE LYS 72 2HE LYS 72 26.159 7.661 3.024 551 2HE LYS 72 1HE LYS 72 24.493 7.889 2.491 552 1HZ LYS 72 1HZ LYS 72 25.567 10.112 3.974 553 2HZ LYS 72 2HZ LYS 72 24.709 10.096 2.507 554 3HZ LYS 72 3HZ LYS 72 26.384 9.809 2.518 555 H ALA 73 H ALA 73 21.525 11.004 2.223 556 HA ALA 73 HA ALA 73 18.743 10.298 1.516 557 1HB ALA 73 1HB ALA 73 20.235 12.350 -0.034 558 2HB ALA 73 2HB ALA 73 19.764 12.775 1.612 559 3HB ALA 73 3HB ALA 73 18.536 12.305 0.436 560 H LEU 74 H LEU 74 18.333 9.126 -0.284 561 HA LEU 74 HA LEU 74 20.671 8.090 -1.742 562 1HB LEU 74 2HB LEU 74 17.837 7.030 -1.637 563 2HB LEU 74 1HB LEU 74 19.220 6.242 -2.399 564 HG LEU 74 HG LEU 74 18.980 6.908 0.550 565 1HD1 LEU 74 1HD1 LEU 74 17.522 5.046 -0.136 566 2HD1 LEU 74 2HD1 LEU 74 18.875 4.453 0.827 567 3HD1 LEU 74 3HD1 LEU 74 18.888 4.259 -0.925 568 1HD2 LEU 74 1HD2 LEU 74 21.035 5.225 0.444 569 2HD2 LEU 74 2HD2 LEU 74 21.272 6.953 0.185 570 3HD2 LEU 74 3HD2 LEU 74 21.178 5.859 -1.196 571 H GLY 75 H GLY 75 17.506 7.822 -3.098 572 1HA GLY 75 2HA GLY 75 18.212 8.760 -5.624 573 2HA GLY 75 1HA GLY 75 16.559 8.651 -5.026 574 H LYS 76 H LYS 76 16.115 10.594 -6.243 575 HA LYS 76 HA LYS 76 17.442 13.051 -5.820 576 1HB LYS 76 2HB LYS 76 15.586 14.066 -6.950 577 2HB LYS 76 1HB LYS 76 15.864 12.501 -7.715 578 1HG LYS 76 2HG LYS 76 14.113 11.560 -6.109 579 2HG LYS 76 1HG LYS 76 13.712 13.234 -5.721 580 1HD LYS 76 2HD LYS 76 13.671 12.030 -8.505 581 2HD LYS 76 1HD LYS 76 12.248 12.338 -7.510 582 1HE LYS 76 2HE LYS 76 12.345 14.256 -8.856 583 2HE LYS 76 1HE LYS 76 13.168 14.779 -7.385 584 1HZ LYS 76 1HZ LYS 76 14.181 14.749 -9.963 585 2HZ LYS 76 2HZ LYS 76 15.003 13.523 -9.123 586 3HZ LYS 76 3HZ LYS 76 15.015 15.116 -8.533 587 H THR 77 H THR 77 15.931 11.258 -3.576 588 HA THR 77 HA THR 77 14.106 12.830 -2.228 589 HB THR 77 HB THR 77 16.258 11.071 -1.027 590 HG1 THR 77 1HG THR 77 13.549 10.446 -1.476 591 1HG2 THR 77 1HG2 THR 77 14.462 10.881 0.803 592 2HG2 THR 77 2HG2 THR 77 13.748 12.324 0.085 593 3HG2 THR 77 3HG2 THR 77 15.383 12.384 0.743 594 H LYS 78 H LYS 78 14.250 14.881 -1.602 595 HA LYS 78 HA LYS 78 16.793 16.184 -1.212 596 1HB LYS 78 2HB LYS 78 14.724 17.277 -2.181 597 2HB LYS 78 1HB LYS 78 14.054 17.274 -0.549 598 1HG LYS 78 2HG LYS 78 16.198 18.463 0.179 599 2HG LYS 78 1HG LYS 78 16.529 18.702 -1.537 600 1HD LYS 78 2HD LYS 78 14.049 19.636 -0.060 601 2HD LYS 78 1HD LYS 78 15.372 20.664 -0.613 602 1HE LYS 78 2HE LYS 78 13.352 19.156 -2.269 603 2HE LYS 78 1HE LYS 78 13.749 20.874 -2.316 604 1HZ LYS 78 1HZ LYS 78 14.902 20.127 -4.117 605 2HZ LYS 78 2HZ LYS 78 15.202 18.594 -3.448 606 3HZ LYS 78 3HZ LYS 78 16.098 19.941 -2.928 607 H LEU 79 H LEU 79 17.927 16.150 0.609 608 HA LEU 79 HA LEU 79 16.493 15.681 3.154 609 1HB LEU 79 2HB LEU 79 17.974 13.831 2.629 610 2HB LEU 79 1HB LEU 79 19.317 14.940 2.355 611 HG LEU 79 HG LEU 79 19.255 15.651 4.692 612 1HD1 LEU 79 1HD1 LEU 79 16.770 13.963 4.693 613 2HD1 LEU 79 2HD1 LEU 79 17.026 15.567 5.379 614 3HD1 LEU 79 3HD1 LEU 79 17.692 14.146 6.184 615 1HD2 LEU 79 1HD2 LEU 79 20.463 13.516 3.966 616 2HD2 LEU 79 2HD2 LEU 79 19.098 12.628 4.642 617 3HD2 LEU 79 3HD2 LEU 79 20.094 13.642 5.686 618 H GLU 80 H GLU 80 16.637 17.199 4.688 619 HA GLU 80 HA GLU 80 18.904 19.008 4.817 620 1HB GLU 80 2HB GLU 80 17.404 21.033 4.749 621 2HB GLU 80 1HB GLU 80 17.599 20.213 3.200 622 1HG GLU 80 2HG GLU 80 15.472 18.996 3.597 623 2HG GLU 80 1HG GLU 80 15.267 19.880 5.109 624 H GLN 81 H GLN 81 18.903 20.296 6.762 625 HA GLN 81 HA GLN 81 17.242 19.084 8.883 626 1HB GLN 81 2HB GLN 81 19.718 18.801 9.070 627 2HB GLN 81 1HB GLN 81 19.870 20.556 9.174 628 1HG GLN 81 2HG GLN 81 18.459 20.583 11.180 629 2HG GLN 81 1HG GLN 81 18.240 18.837 11.067 630 1HE2 GLN 81 1HE2 GLN 81 19.343 19.710 13.427 631 2HE2 GLN 81 2HE2 GLN 81 21.008 19.381 13.475 632 H GLN 82 H GLN 82 16.335 20.422 10.494 633 HA GLN 82 HA GLN 82 15.871 23.190 9.589 634 1HB GLN 82 2HB GLN 82 14.259 21.913 11.757 635 2HB GLN 82 1HB GLN 82 13.767 23.083 10.532 636 1HG GLN 82 2HG GLN 82 14.339 20.139 10.107 637 2HG GLN 82 1HG GLN 82 12.779 20.945 9.968 638 1HE2 GLN 82 1HE2 GLN 82 14.893 19.577 7.982 639 2HE2 GLN 82 2HE2 GLN 82 14.864 20.650 6.667 640 H GLU 83 H GLU 83 15.489 24.777 11.414 641 HA GLU 83 HA GLU 83 17.820 24.957 13.014 642 1HB GLU 83 2HB GLU 83 16.458 26.903 12.214 643 2HB GLU 83 1HB GLU 83 15.219 26.457 13.388 644 1HG GLU 83 2HG GLU 83 16.904 26.661 15.206 645 2HG GLU 83 1HG GLU 83 18.095 27.183 14.017 646 H ASN 84 H ASN 84 14.546 23.829 13.650 647 HA ASN 84 HA ASN 84 14.670 23.707 16.459 648 1HB ASN 84 2HB ASN 84 12.895 21.932 16.197 649 2HB ASN 84 1HB ASN 84 12.549 23.454 15.377 650 1HD2 ASN 84 1HD2 ASN 84 14.509 20.543 14.498 651 2HD2 ASN 84 2HD2 ASN 84 13.785 20.346 12.975 652 H GLY 85 H GLY 85 16.051 21.691 13.991 653 1HA GLY 85 2HA GLY 85 17.927 20.281 14.460 654 2HA GLY 85 1HA GLY 85 17.302 20.044 16.089 655 H GLU 86 H GLU 86 16.000 19.641 12.786 656 HA GLU 86 HA GLU 86 15.532 16.800 13.348 657 1HB GLU 86 2HB GLU 86 13.379 18.746 12.485 658 2HB GLU 86 1HB GLU 86 13.206 16.991 12.459 659 1HG GLU 86 2HG GLU 86 13.700 16.936 14.899 660 2HG GLU 86 1HG GLU 86 13.763 18.698 14.901 661 H TRP 87 H TRP 87 15.359 15.509 11.486 662 HA TRP 87 HA TRP 87 16.367 16.812 9.040 663 1HB TRP 87 2HB TRP 87 16.510 13.968 10.044 664 2HB TRP 87 1HB TRP 87 16.927 14.413 8.390 665 HD1 TRP 87 HD TRP 87 18.184 14.567 11.939 666 HE1 TRP 87 1HE TRP 87 20.561 15.565 11.967 667 HE3 TRP 87 3HE TRP 87 18.533 16.149 7.096 668 HZ2 TRP 87 2HZ TRP 87 22.373 16.856 10.170 669 HZ3 TRP 87 3HZ TRP 87 20.591 17.266 6.284 670 HH2 TRP 87 HH TRP 87 22.512 17.618 7.812 671 H VAL 88 H VAL 88 15.246 16.739 7.160 672 HA VAL 88 HA VAL 88 12.692 15.244 7.168 673 HB VAL 88 HB VAL 88 13.289 17.973 6.002 674 1HG1 VAL 88 1HG1 VAL 88 10.910 16.123 5.737 675 2HG1 VAL 88 2HG1 VAL 88 11.847 16.876 4.446 676 3HG1 VAL 88 3HG1 VAL 88 10.790 17.860 5.458 677 1HG2 VAL 88 1HG2 VAL 88 11.537 18.699 7.581 678 2HG2 VAL 88 2HG2 VAL 88 12.865 17.921 8.442 679 3HG2 VAL 88 3HG2 VAL 88 11.364 17.041 8.157 680 H ALA 89 H ALA 89 12.189 14.085 5.366 681 HA ALA 89 HA ALA 89 13.885 14.359 2.983 682 1HB ALA 89 1HB ALA 89 14.316 11.979 2.871 683 2HB ALA 89 2HB ALA 89 13.344 11.695 4.314 684 3HB ALA 89 3HB ALA 89 14.866 12.576 4.436 685 H SER 90 H SER 90 12.323 14.976 1.587 686 HA SER 90 HA SER 90 9.873 13.322 1.454 687 1HB SER 90 2HB SER 90 8.693 15.232 0.636 688 2HB SER 90 1HB SER 90 9.605 15.772 2.043 689 HG SER 90 HG SER 90 9.815 16.502 -0.576 690 H VAL 91 H VAL 91 9.199 12.543 -0.520 691 HA VAL 91 HA VAL 91 10.486 13.306 -2.985 692 HB VAL 91 HB VAL 91 12.135 11.731 -1.873 693 1HG1 VAL 91 1HG1 VAL 91 10.266 10.270 -0.937 694 2HG1 VAL 91 2HG1 VAL 91 11.590 9.403 -1.717 695 3HG1 VAL 91 3HG1 VAL 91 10.065 9.637 -2.571 696 1HG2 VAL 91 1HG2 VAL 91 10.834 11.087 -4.529 697 2HG2 VAL 91 2HG2 VAL 91 12.305 10.284 -3.981 698 3HG2 VAL 91 3HG2 VAL 91 12.297 12.028 -4.239 699 H VAL 92 H VAL 92 9.307 12.680 -4.766 700 HA VAL 92 HA VAL 92 6.722 11.407 -4.176 701 HB VAL 92 HB VAL 92 7.627 12.979 -6.601 702 1HG1 VAL 92 1HG1 VAL 92 5.886 11.465 -7.259 703 2HG1 VAL 92 2HG1 VAL 92 5.112 13.028 -7.004 704 3HG1 VAL 92 3HG1 VAL 92 4.977 11.767 -5.779 705 1HG2 VAL 92 1HG2 VAL 92 5.974 14.656 -5.623 706 2HG2 VAL 92 2HG2 VAL 92 7.475 14.461 -4.717 707 3HG2 VAL 92 3HG2 VAL 92 5.995 13.688 -4.149 708 H VAL 93 H VAL 93 6.122 9.500 -5.049 709 HA VAL 93 HA VAL 93 8.068 8.165 -6.832 710 HB VAL 93 HB VAL 93 6.087 6.909 -4.917 711 1HG1 VAL 93 1HG1 VAL 93 7.552 4.876 -5.424 712 2HG1 VAL 93 2HG1 VAL 93 8.205 5.805 -6.774 713 3HG1 VAL 93 3HG1 VAL 93 6.488 5.403 -6.728 714 1HG2 VAL 93 1HG2 VAL 93 8.047 8.165 -3.890 715 2HG2 VAL 93 2HG2 VAL 93 9.108 7.026 -4.718 716 3HG2 VAL 93 3HG2 VAL 93 7.973 6.447 -3.499 717 H TYR 94 H TYR 94 7.403 7.558 -8.800 718 HA TYR 94 HA TYR 94 4.592 7.999 -9.509 719 1HB TYR 94 2HB TYR 94 7.045 7.501 -11.211 720 2HB TYR 94 1HB TYR 94 5.420 7.758 -11.847 721 HD1 TYR 94 1HD TYR 94 4.182 9.900 -10.788 722 HD2 TYR 94 2HD TYR 94 8.436 9.359 -11.044 723 HE1 TYR 94 1HE TYR 94 4.504 12.352 -10.615 724 HE2 TYR 94 2HE TYR 94 8.758 11.812 -10.873 725 HH TYR 94 HH TYR 94 6.859 13.964 -11.526 726 HA PRO 95 HA PRO 95 3.496 3.763 -9.576 727 1HB PRO 95 2HB PRO 95 1.883 3.703 -11.825 728 2HB PRO 95 1HB PRO 95 1.371 4.293 -10.233 729 1HG PRO 95 2HG PRO 95 2.253 5.822 -12.625 730 2HG PRO 95 1HG PRO 95 0.977 6.193 -11.453 731 1HD PRO 95 2HD PRO 95 3.377 7.447 -11.387 732 2HD PRO 95 1HD PRO 95 2.467 7.083 -9.903 733 H CYS 96 H CYS 96 4.006 1.787 -10.560 734 HA CYS 96 HA CYS 96 5.167 0.324 -11.898 735 1HB CYS 96 2HB CYS 96 3.678 1.504 -13.646 736 2HB CYS 96 1HB CYS 96 5.133 2.401 -14.078 737 HG CYS 96 HG CYS 96 4.995 -0.726 -14.219 738 H GLU 97 H GLU 97 6.451 2.652 -10.382 739 HA GLU 97 HA GLU 97 9.144 2.201 -11.439 740 1HB GLU 97 2HB GLU 97 7.920 4.939 -11.040 741 2HB GLU 97 1HB GLU 97 9.651 4.654 -11.221 742 1HG GLU 97 2HG GLU 97 9.176 3.511 -13.402 743 2HG GLU 97 1HG GLU 97 7.488 3.989 -13.235 744 H THR 98 H THR 98 10.608 1.947 -9.851 745 HA THR 98 HA THR 98 9.748 2.586 -7.094 746 HB THR 98 HB THR 98 11.853 0.569 -7.875 747 HG1 THR 98 1HG THR 98 10.325 -0.819 -8.251 748 1HG2 THR 98 1HG2 THR 98 11.942 1.272 -5.561 749 2HG2 THR 98 2HG2 THR 98 11.223 -0.338 -5.616 750 3HG2 THR 98 3HG2 THR 98 10.197 1.080 -5.391 751 H GLU 99 H GLU 99 10.997 3.877 -5.854 752 HA GLU 99 HA GLU 99 13.637 4.675 -6.917 753 1HB GLU 99 2HB GLU 99 11.608 6.512 -5.623 754 2HB GLU 99 1HB GLU 99 13.196 6.975 -6.235 755 1HG GLU 99 2HG GLU 99 10.999 5.755 -7.931 756 2HG GLU 99 1HG GLU 99 11.342 7.482 -7.839 757 H MET 100 H MET 100 15.133 5.467 -5.308 758 HA MET 100 HA MET 100 14.923 3.989 -2.823 759 1HB MET 100 2HB MET 100 17.092 5.803 -3.908 760 2HB MET 100 1HB MET 100 17.219 4.855 -2.426 761 1HG MET 100 2HG MET 100 16.441 2.910 -4.131 762 2HG MET 100 1HG MET 100 17.299 3.960 -5.258 763 1HE MET 100 1HE MET 100 18.887 1.986 -1.456 764 2HE MET 100 2HE MET 100 17.771 1.156 -2.538 765 3HE MET 100 3HE MET 100 17.280 2.660 -1.764 766 H PHE 101 H PHE 101 15.154 4.942 -0.729 767 HA PHE 101 HA PHE 101 14.091 7.699 -0.603 768 1HB PHE 101 2HB PHE 101 12.558 5.943 0.260 769 2HB PHE 101 1HB PHE 101 13.788 5.483 1.438 770 HD1 PHE 101 1HD PHE 101 12.921 6.146 3.529 771 HD2 PHE 101 2HD PHE 101 12.781 8.867 0.208 772 HE1 PHE 101 1HE PHE 101 12.097 7.939 5.031 773 HE2 PHE 101 2HE PHE 101 11.971 10.664 1.713 774 HZ PHE 101 HZ PHE 101 11.622 10.197 4.124 775 H ILE 102 H ILE 102 15.070 6.153 2.294 776 HA ILE 102 HA ILE 102 17.647 7.596 2.284 777 HB ILE 102 HB ILE 102 17.263 8.406 4.513 778 1HG1 ILE 102 2HG1 ILE 102 14.836 7.950 5.431 779 2HG1 ILE 102 1HG1 ILE 102 14.908 6.545 4.368 780 1HG2 ILE 102 1HG2 ILE 102 16.293 9.771 2.724 781 2HG2 ILE 102 2HG2 ILE 102 15.259 9.832 4.151 782 3HG2 ILE 102 3HG2 ILE 102 14.809 8.819 2.779 783 1HD1 ILE 102 1HD1 ILE 102 16.278 5.452 5.784 784 2HD1 ILE 102 2HD1 ILE 102 15.982 6.740 6.952 785 3HD1 ILE 102 3HD1 ILE 102 17.373 6.831 5.873 786 H GLU 103 H GLU 103 19.173 6.796 3.910 787 HA GLU 103 HA GLU 103 18.643 4.026 4.777 788 1HB GLU 103 2HB GLU 103 20.837 3.320 4.042 789 2HB GLU 103 1HB GLU 103 19.992 4.037 2.670 790 1HG GLU 103 2HG GLU 103 21.150 6.195 3.124 791 2HG GLU 103 1HG GLU 103 22.050 5.410 4.421 792 H GLY 104 H GLY 104 20.763 3.359 6.144 793 1HA GLY 104 2HA GLY 104 22.337 4.022 7.808 794 2HA GLY 104 1HA GLY 104 21.550 5.595 7.887 795 H ARG 105 H ARG 105 21.496 5.317 10.207 796 HA ARG 105 HA ARG 105 19.656 3.260 11.213 797 1HB ARG 105 2HB ARG 105 21.931 3.744 12.284 798 2HB ARG 105 1HB ARG 105 21.212 5.246 12.866 799 1HG ARG 105 2HG ARG 105 20.732 3.841 14.649 800 2HG ARG 105 1HG ARG 105 19.279 3.623 13.674 801 1HD ARG 105 2HD ARG 105 20.284 1.620 12.633 802 2HD ARG 105 1HD ARG 105 21.724 1.832 13.623 803 HE ARG 105 HE ARG 105 19.429 1.708 15.287 804 1HH1 ARG 105 1HH2 ARG 105 21.445 -0.214 13.234 805 2HH1 ARG 105 2HH2 ARG 105 21.150 -1.688 14.093 806 1HH2 ARG 105 1HH1 ARG 105 19.036 -0.222 16.417 807 2HH2 ARG 105 2HH1 ARG 105 19.786 -1.693 15.895 808 H VAL 106 H VAL 106 17.794 3.764 12.379 809 HA VAL 106 HA VAL 106 16.957 6.595 12.355 810 HB VAL 106 HB VAL 106 15.058 4.349 11.698 811 1HG1 VAL 106 1HG1 VAL 106 13.638 6.107 10.946 812 2HG1 VAL 106 2HG1 VAL 106 14.961 7.273 10.937 813 3HG1 VAL 106 3HG1 VAL 106 14.315 6.685 12.469 814 1HG2 VAL 106 1HG2 VAL 106 15.372 5.193 9.296 815 2HG2 VAL 106 2HG2 VAL 106 16.674 4.199 9.948 816 3HG2 VAL 106 3HG2 VAL 106 16.859 5.950 9.867 817 H ASN 107 H ASN 107 15.889 7.270 14.140 818 HA ASN 107 HA ASN 107 14.931 5.271 16.073 819 1HB ASN 107 2HB ASN 107 16.130 6.179 17.886 820 2HB ASN 107 1HB ASN 107 17.320 6.088 16.588 821 1HD2 ASN 107 1HD2 ASN 107 18.277 8.046 15.898 822 2HD2 ASN 107 2HD2 ASN 107 17.816 9.574 16.475 823 H GLY 108 H GLY 108 12.912 5.761 16.633 824 1HA GLY 108 2HA GLY 108 10.937 6.953 16.804 825 2HA GLY 108 1HA GLY 108 11.945 8.100 17.682 826 H PHE 109 H PHE 109 10.282 7.432 14.730 827 HA PHE 109 HA PHE 109 10.909 10.154 13.793 828 1HB PHE 109 2HB PHE 109 11.105 9.296 11.472 829 2HB PHE 109 1HB PHE 109 12.376 8.676 12.526 830 HD1 PHE 109 1HD PHE 109 9.459 7.837 10.509 831 HD2 PHE 109 2HD PHE 109 12.219 6.356 13.449 832 HE1 PHE 109 1HE PHE 109 8.742 5.515 10.013 833 HE2 PHE 109 2HE PHE 109 11.506 4.034 12.949 834 HZ PHE 109 HZ PHE 109 9.766 3.614 11.232 835 H LYS 110 H LYS 110 9.335 11.013 12.302 836 HA LYS 110 HA LYS 110 6.672 9.785 12.661 837 1HB LYS 110 2HB LYS 110 7.210 12.645 11.862 838 2HB LYS 110 1HB LYS 110 5.730 11.954 12.529 839 1HG LYS 110 2HG LYS 110 6.544 12.815 14.487 840 2HG LYS 110 1HG LYS 110 7.470 11.313 14.505 841 1HD LYS 110 2HD LYS 110 9.310 12.503 13.281 842 2HD LYS 110 1HD LYS 110 8.401 14.004 13.465 843 1HE LYS 110 2HE LYS 110 10.132 13.695 15.245 844 2HE LYS 110 1HE LYS 110 8.495 13.817 15.892 845 1HZ LYS 110 1HZ LYS 110 9.500 11.156 15.219 846 2HZ LYS 110 2HZ LYS 110 8.453 11.638 16.468 847 3HZ LYS 110 3HZ LYS 110 10.126 11.900 16.609 848 H SER 111 H SER 111 5.583 9.087 10.926 849 HA SER 111 HA SER 111 6.687 9.732 8.260 850 1HB SER 111 2HB SER 111 5.103 7.274 9.014 851 2HB SER 111 1HB SER 111 5.977 7.567 7.512 852 HG SER 111 HG SER 111 6.897 6.816 10.013 853 H LYS 112 H LYS 112 5.393 10.654 6.796 854 HA LYS 112 HA LYS 112 2.475 10.552 7.184 855 1HB LYS 112 2HB LYS 112 3.440 12.706 8.107 856 2HB LYS 112 1HB LYS 112 3.936 13.098 6.459 857 1HG LYS 112 2HG LYS 112 1.505 12.694 5.779 858 2HG LYS 112 1HG LYS 112 1.126 12.693 7.502 859 1HD LYS 112 2HD LYS 112 2.453 14.949 5.969 860 2HD LYS 112 1HD LYS 112 0.796 14.940 6.578 861 1HE LYS 112 2HE LYS 112 3.371 15.036 8.144 862 2HE LYS 112 1HE LYS 112 1.988 16.126 8.234 863 1HZ LYS 112 1HZ LYS 112 0.674 14.370 9.192 864 2HZ LYS 112 2HZ LYS 112 2.088 14.579 10.111 865 3HZ LYS 112 3HZ LYS 112 1.955 13.268 9.039 866 H MET 113 H MET 113 1.473 9.979 5.358 867 HA MET 113 HA MET 113 2.756 10.602 2.775 868 1HB MET 113 2HB MET 113 1.559 7.919 3.509 869 2HB MET 113 1HB MET 113 2.267 8.358 1.954 870 1HG MET 113 2HG MET 113 4.063 7.293 2.996 871 2HG MET 113 1HG MET 113 4.370 8.981 3.404 872 1HE MET 113 1HE MET 113 3.806 5.505 4.479 873 2HE MET 113 2HE MET 113 2.115 5.969 4.647 874 3HE MET 113 3HE MET 113 3.049 5.541 6.077 875 H ASP 114 H ASP 114 1.238 10.269 0.927 876 HA ASP 114 HA ASP 114 -1.601 10.323 1.516 877 1HB ASP 114 2HB ASP 114 -0.640 12.704 1.845 878 2HB ASP 114 1HB ASP 114 -0.476 12.721 0.090 879 H ALA 115 H ALA 115 -2.859 10.661 -0.587 880 HA ALA 115 HA ALA 115 -1.346 9.463 -2.831 881 1HB ALA 115 1HB ALA 115 -2.948 7.885 -1.751 882 2HB ALA 115 2HB ALA 115 -3.333 8.216 -3.440 883 3HB ALA 115 3HB ALA 115 -4.258 8.994 -2.155 884 H LEU 116 H LEU 116 -0.955 11.388 -3.908 885 HA LEU 116 HA LEU 116 -3.212 13.133 -4.555 886 1HB LEU 116 2HB LEU 116 -0.394 13.505 -5.539 887 2HB LEU 116 1HB LEU 116 -1.628 14.726 -5.221 888 HG LEU 116 HG LEU 116 -0.150 13.063 -3.162 889 1HD1 LEU 116 1HD1 LEU 116 0.868 15.103 -2.497 890 2HD1 LEU 116 2HD1 LEU 116 -0.283 16.070 -3.418 891 3HD1 LEU 116 3HD1 LEU 116 0.944 15.121 -4.258 892 1HD2 LEU 116 1HD2 LEU 116 -2.512 14.941 -2.936 893 2HD2 LEU 116 2HD2 LEU 116 -1.473 14.571 -1.561 894 3HD2 LEU 116 3HD2 LEU 116 -2.384 13.283 -2.348 895 HA PRO 117 HA PRO 117 -3.775 11.401 -8.567 896 1HB PRO 117 2HB PRO 117 -4.871 13.514 -9.881 897 2HB PRO 117 1HB PRO 117 -5.742 12.611 -8.629 898 1HG PRO 117 2HG PRO 117 -4.362 15.242 -8.452 899 2HG PRO 117 1HG PRO 117 -5.890 14.716 -7.727 900 1HD PRO 117 2HD PRO 117 -3.514 14.845 -6.342 901 2HD PRO 117 1HD PRO 117 -4.848 13.752 -5.911 902 H LEU 118 H LEU 118 -2.477 11.056 -10.294 903 HA LEU 118 HA LEU 118 -0.039 12.317 -10.676 904 1HB LEU 118 2HB LEU 118 -1.709 10.960 -12.807 905 2HB LEU 118 1HB LEU 118 0.035 11.221 -12.854 906 HG LEU 118 HG LEU 118 -1.225 9.736 -10.557 907 1HD1 LEU 118 1HD1 LEU 118 -0.839 7.636 -11.766 908 2HD1 LEU 118 2HD1 LEU 118 -0.294 8.534 -13.183 909 3HD1 LEU 118 3HD1 LEU 118 -1.974 8.647 -12.660 910 1HD2 LEU 118 1HD2 LEU 118 1.476 9.386 -11.872 911 2HD2 LEU 118 2HD2 LEU 118 0.977 8.871 -10.260 912 3HD2 LEU 118 3HD2 LEU 118 1.199 10.586 -10.610 913 H SER 119 H SER 119 0.353 14.374 -11.158 914 HA SER 119 HA SER 119 -1.603 15.987 -12.571 915 1HB SER 119 2HB SER 119 1.134 16.641 -11.459 916 2HB SER 119 1HB SER 119 0.052 17.816 -12.201 917 HG SER 119 HG SER 119 0.007 16.720 -9.712 918 H GLU 120 H GLU 120 -0.184 17.694 -14.086 919 HA GLU 120 HA GLU 120 0.192 16.299 -16.502 920 1HB GLU 120 2HB GLU 120 0.972 18.404 -17.406 921 2HB GLU 120 1HB GLU 120 -0.369 18.729 -16.306 922 1HG GLU 120 2HG GLU 120 1.349 19.140 -14.491 923 2HG GLU 120 1HG GLU 120 2.586 19.065 -15.744 924 H GLU 121 H GLU 121 2.408 17.216 -13.949 925 HA GLU 121 HA GLU 121 4.859 16.948 -15.249 926 1HB GLU 121 2HB GLU 121 4.489 17.734 -12.883 927 2HB GLU 121 1HB GLU 121 4.281 16.044 -12.421 928 1HG GLU 121 2HG GLU 121 6.588 16.614 -12.023 929 2HG GLU 121 1HG GLU 121 6.541 15.576 -13.447 930 H TYR 122 H TYR 122 2.772 14.473 -13.807 931 HA TYR 122 HA TYR 122 4.527 12.286 -14.149 932 1HB TYR 122 2HB TYR 122 2.634 12.036 -12.696 933 2HB TYR 122 1HB TYR 122 1.511 12.437 -13.997 934 HD1 TYR 122 1HD TYR 122 4.214 9.985 -13.135 935 HD2 TYR 122 2HD TYR 122 0.550 10.715 -15.256 936 HE1 TYR 122 1HE TYR 122 4.111 7.593 -13.783 937 HE2 TYR 122 2HE TYR 122 0.451 8.325 -15.907 938 HH TYR 122 HH TYR 122 1.824 6.420 -16.122 939 H ARG 123 H ARG 123 2.055 13.708 -16.247 940 HA ARG 123 HA ARG 123 2.069 11.777 -18.280 941 1HB ARG 123 2HB ARG 123 1.639 14.765 -18.519 942 2HB ARG 123 1HB ARG 123 1.182 13.562 -19.725 943 1HG ARG 123 2HG ARG 123 0.211 13.247 -16.902 944 2HG ARG 123 1HG ARG 123 -0.598 14.394 -17.969 945 1HD ARG 123 2HD ARG 123 -0.151 11.455 -18.554 946 2HD ARG 123 1HD ARG 123 -1.681 12.185 -18.079 947 HE ARG 123 HE ARG 123 -0.935 13.600 -20.304 948 1HH1 ARG 123 1HH2 ARG 123 -1.340 10.257 -19.506 949 2HH1 ARG 123 2HH2 ARG 123 -1.802 9.788 -21.107 950 1HH2 ARG 123 1HH1 ARG 123 -1.540 12.993 -22.405 951 2HH2 ARG 123 2HH1 ARG 123 -1.917 11.338 -22.750 952 H GLN 124 H GLN 124 4.076 14.665 -17.816 953 HA GLN 124 HA GLN 124 5.549 14.360 -20.242 954 1HB GLN 124 2HB GLN 124 5.340 16.496 -18.939 955 2HB GLN 124 1HB GLN 124 6.412 15.798 -17.724 956 1HG GLN 124 2HG GLN 124 8.134 15.451 -19.488 957 2HG GLN 124 1HG GLN 124 7.071 16.243 -20.649 958 1HE2 GLN 124 1HE2 GLN 124 7.427 18.451 -20.873 959 2HE2 GLN 124 2HE2 GLN 124 8.142 19.445 -19.696 960 H HIS 125 H HIS 125 6.055 13.328 -16.898 961 HA HIS 125 HA HIS 125 8.679 12.432 -17.036 962 1HB HIS 125 2HB HIS 125 7.739 12.349 -14.901 963 2HB HIS 125 1HB HIS 125 6.282 11.531 -15.467 964 HD1 HIS 125 1HD HIS 125 9.858 10.898 -14.519 965 HD2 HIS 125 2HD HIS 125 6.532 8.711 -15.755 966 HE1 HIS 125 1HE HIS 125 10.427 8.458 -14.148 967 HE2 HIS 125 2HE HIS 125 8.412 7.112 -14.905 968 H GLN 126 H GLN 126 5.697 10.639 -17.797 969 HA GLN 126 HA GLN 126 6.965 8.235 -18.570 970 1HB GLN 126 2HB GLN 126 4.303 9.386 -19.444 971 2HB GLN 126 1HB GLN 126 4.819 7.716 -19.685 972 1HG GLN 126 2HG GLN 126 4.632 9.062 -16.974 973 2HG GLN 126 1HG GLN 126 3.374 8.032 -17.656 974 1HE2 GLN 126 1HE2 GLN 126 5.776 6.437 -18.941 975 2HE2 GLN 126 2HE2 GLN 126 6.264 5.425 -17.667 976 H ALA 127 H ALA 127 6.184 11.188 -20.319 977 HA ALA 127 HA ALA 127 6.692 10.215 -22.934 978 1HB ALA 127 1HB ALA 127 7.004 13.042 -21.894 979 2HB ALA 127 2HB ALA 127 5.484 12.332 -22.438 980 3HB ALA 127 3HB ALA 127 6.809 12.557 -23.580 981 H GLU 128 H GLU 128 8.747 11.635 -20.439 982 HA GLU 128 HA GLU 128 11.070 11.980 -22.012 983 1HB GLU 128 2HB GLU 128 10.711 11.525 -19.044 984 2HB GLU 128 1HB GLU 128 12.257 11.925 -19.794 985 1HG GLU 128 2HG GLU 128 9.755 13.609 -20.084 986 2HG GLU 128 1HG GLU 128 11.019 13.923 -18.896 987 H LYS 129 H LYS 129 9.759 9.225 -20.259 988 HA LYS 129 HA LYS 129 12.011 7.552 -20.289 989 1HB LYS 129 2HB LYS 129 9.065 6.869 -20.427 990 2HB LYS 129 1HB LYS 129 10.346 5.689 -20.150 991 1HG LYS 129 2HG LYS 129 11.060 6.934 -18.139 992 2HG LYS 129 1HG LYS 129 9.769 8.106 -18.411 993 1HD LYS 129 2HD LYS 129 8.644 6.716 -16.969 994 2HD LYS 129 1HD LYS 129 8.306 5.849 -18.468 995 1HE LYS 129 2HE LYS 129 10.639 5.267 -16.620 996 2HE LYS 129 1HE LYS 129 9.144 4.334 -16.680 997 1HZ LYS 129 1HZ LYS 129 11.165 4.658 -18.822 998 2HZ LYS 129 2HZ LYS 129 9.618 4.015 -19.104 999 3HZ LYS 129 3HZ LYS 129 10.689 3.226 -18.048 1000 H ASP 130 H ASP 130 9.676 8.342 -22.778 1001 HA ASP 130 HA ASP 130 9.580 7.838 -25.017 1002 1HB ASP 130 2HB ASP 130 11.952 8.709 -24.834 1003 2HB ASP 130 1HB ASP 130 12.477 7.029 -24.736 1004 H LYS 131 H LYS 131 9.461 6.074 -26.521 1005 HA LYS 131 HA LYS 131 8.512 3.694 -25.552 1006 1HB LYS 131 2HB LYS 131 8.953 2.743 -27.779 1007 2HB LYS 131 1HB LYS 131 8.302 4.378 -27.905 1008 1HG LYS 131 2HG LYS 131 10.614 5.256 -28.150 1009 2HG LYS 131 1HG LYS 131 11.228 3.604 -28.100 1010 1HD LYS 131 2HD LYS 131 11.059 3.947 -30.397 1011 2HD LYS 131 1HD LYS 131 9.492 3.215 -30.046 1012 1HE LYS 131 2HE LYS 131 8.450 5.423 -29.921 1013 2HE LYS 131 1HE LYS 131 10.014 6.200 -30.167 1014 1HZ LYS 131 1HZ LYS 131 9.560 6.102 -32.324 1015 2HZ LYS 131 2HZ LYS 131 8.230 5.070 -32.087 1016 3HZ LYS 131 3HZ LYS 131 9.795 4.424 -32.231 Start of MODEL 15 1 H MET 1 1H MET 1 2.254 -1.412 12.078 2 HA MET 1 HA MET 1 3.488 -2.958 10.768 3 1HB MET 1 2HB MET 1 4.568 -4.081 13.361 4 2HB MET 1 1HB MET 1 5.066 -4.482 11.717 5 1HG MET 1 2HG MET 1 6.752 -3.007 12.448 6 2HG MET 1 1HG MET 1 5.674 -1.964 11.521 7 1HE MET 1 1HE MET 1 6.439 0.642 14.084 8 2HE MET 1 2HE MET 1 5.748 0.384 12.484 9 3HE MET 1 3HE MET 1 7.306 -0.332 12.888 10 H GLY 2 H GLY 2 1.224 -3.390 10.549 11 1HA GLY 2 2HA GLY 2 -0.307 -4.870 12.409 12 2HA GLY 2 1HA GLY 2 -0.671 -4.690 10.696 13 H CYS 3 H CYS 3 -0.630 -7.029 12.689 14 HA CYS 3 HA CYS 3 0.690 -8.908 10.851 15 1HB CYS 3 2HB CYS 3 2.206 -8.418 12.804 16 2HB CYS 3 1HB CYS 3 0.966 -9.101 13.856 17 HG CYS 3 HG CYS 3 2.382 -11.143 13.292 18 H GLY 4 H GLY 4 -0.345 -10.859 10.631 19 1HA GLY 4 2HA GLY 4 -1.921 -12.529 11.009 20 2HA GLY 4 1HA GLY 4 -2.453 -11.665 12.449 21 H ALA 5 H ALA 5 -2.186 -9.910 9.483 22 HA ALA 5 HA ALA 5 -5.020 -10.246 8.837 23 1HB ALA 5 1HB ALA 5 -3.782 -7.635 9.717 24 2HB ALA 5 2HB ALA 5 -5.183 -8.453 10.407 25 3HB ALA 5 3HB ALA 5 -5.289 -7.724 8.804 26 H SER 6 H SER 6 -5.586 -9.387 6.757 27 HA SER 6 HA SER 6 -5.203 -9.123 4.507 28 1HB SER 6 2HB SER 6 -4.555 -6.897 4.991 29 2HB SER 6 1HB SER 6 -3.036 -7.411 5.720 30 HG SER 6 HG SER 6 -2.184 -7.357 3.810 31 H SER 7 H SER 7 -3.688 -9.603 2.714 32 HA SER 7 HA SER 7 -2.343 -11.145 1.662 33 1HB SER 7 2HB SER 7 -0.598 -9.674 2.530 34 2HB SER 7 1HB SER 7 -0.610 -10.532 4.068 35 HG SER 7 HG SER 7 0.214 -12.313 3.079 36 H GLU 8 H GLU 8 -1.090 -13.270 2.006 37 HA GLU 8 HA GLU 8 -2.518 -14.884 4.035 38 1HB GLU 8 2HB GLU 8 -1.545 -15.727 1.294 39 2HB GLU 8 1HB GLU 8 -2.345 -16.774 2.467 40 1HG GLU 8 2HG GLU 8 -3.564 -14.250 1.314 41 2HG GLU 8 1HG GLU 8 -3.913 -15.879 0.737 42 H ASN 9 H ASN 9 -1.348 -16.253 5.299 43 HA ASN 9 HA ASN 9 0.489 -17.100 6.390 44 1HB ASN 9 2HB ASN 9 1.728 -17.068 3.629 45 2HB ASN 9 1HB ASN 9 2.249 -18.040 5.005 46 1HD2 ASN 9 1HD2 ASN 9 -0.229 -18.965 5.988 47 2HD2 ASN 9 2HD2 ASN 9 -0.968 -19.940 4.810 48 H SER 10 H SER 10 0.219 -14.316 6.469 49 HA SER 10 HA SER 10 1.388 -12.337 6.741 50 1HB SER 10 2HB SER 10 3.176 -14.435 7.966 51 2HB SER 10 1HB SER 10 3.510 -12.712 8.100 52 HG SER 10 HG SER 10 2.136 -13.873 9.773 53 H SER 11 H SER 11 1.833 -11.627 4.667 54 HA SER 11 HA SER 11 4.607 -11.625 3.905 55 1HB SER 11 2HB SER 11 2.668 -12.895 1.967 56 2HB SER 11 1HB SER 11 4.410 -12.716 1.779 57 HG SER 11 HG SER 11 2.971 -14.346 3.594 58 H VAL 12 H VAL 12 3.764 -11.140 1.056 59 HA VAL 12 HA VAL 12 2.283 -8.616 1.343 60 HB VAL 12 HB VAL 12 4.847 -8.758 -0.240 61 1HG1 VAL 12 1HG1 VAL 12 3.407 -6.379 0.951 62 2HG1 VAL 12 2HG1 VAL 12 3.038 -6.994 -0.660 63 3HG1 VAL 12 3HG1 VAL 12 4.651 -6.379 -0.299 64 1HG2 VAL 12 1HG2 VAL 12 5.419 -9.193 2.099 65 2HG2 VAL 12 2HG2 VAL 12 4.416 -7.839 2.621 66 3HG2 VAL 12 3HG2 VAL 12 5.881 -7.541 1.683 67 H THR 13 H THR 13 0.938 -8.202 -0.328 68 HA THR 13 HA THR 13 1.198 -9.885 -2.746 69 HB THR 13 HB THR 13 -1.466 -9.006 -1.661 70 HG1 THR 13 1HG THR 13 0.247 -10.977 -0.741 71 1HG2 THR 13 1HG2 THR 13 -2.242 -10.930 -2.966 72 2HG2 THR 13 2HG2 THR 13 -0.576 -11.349 -3.367 73 3HG2 THR 13 3HG2 THR 13 -1.285 -9.857 -3.986 74 H TYR 14 H TYR 14 1.071 -8.846 -4.651 75 HA TYR 14 HA TYR 14 0.394 -5.968 -4.587 76 1HB TYR 14 2HB TYR 14 2.185 -7.435 -6.538 77 2HB TYR 14 1HB TYR 14 1.888 -5.697 -6.493 78 HD1 TYR 14 1HD TYR 14 4.143 -8.180 -5.530 79 HD2 TYR 14 2HD TYR 14 2.226 -4.646 -4.017 80 HE1 TYR 14 1HE TYR 14 5.957 -7.911 -3.860 81 HE2 TYR 14 2HE TYR 14 4.040 -4.377 -2.347 82 HH TYR 14 HH TYR 14 6.378 -6.850 -1.760 83 H VAL 15 H VAL 15 -0.260 -5.203 -6.897 84 HA VAL 15 HA VAL 15 -2.001 -7.187 -8.200 85 HB VAL 15 HB VAL 15 -3.711 -6.221 -7.031 86 1HG1 VAL 15 1HG1 VAL 15 -2.296 -4.839 -5.613 87 2HG1 VAL 15 2HG1 VAL 15 -3.626 -3.851 -6.214 88 3HG1 VAL 15 3HG1 VAL 15 -2.023 -3.703 -6.933 89 1HG2 VAL 15 1HG2 VAL 15 -3.847 -5.553 -9.510 90 2HG2 VAL 15 2HG2 VAL 15 -3.327 -3.950 -8.991 91 3HG2 VAL 15 3HG2 VAL 15 -4.842 -4.623 -8.390 92 H ASN 16 H ASN 16 -1.035 -3.750 -8.349 93 HA ASN 16 HA ASN 16 -1.339 -3.560 -11.167 94 1HB ASN 16 2HB ASN 16 0.227 -1.856 -9.219 95 2HB ASN 16 1HB ASN 16 -0.058 -1.435 -10.906 96 1HD2 ASN 16 1HD2 ASN 16 -1.180 -0.624 -7.960 97 2HD2 ASN 16 2HD2 ASN 16 -2.820 -0.364 -8.312 98 H GLY 17 H GLY 17 1.259 -4.604 -9.096 99 1HA GLY 17 2HA GLY 17 2.693 -6.028 -10.935 100 2HA GLY 17 1HA GLY 17 3.332 -4.394 -11.084 101 H ARG 18 H ARG 18 5.083 -6.270 -10.318 102 HA ARG 18 HA ARG 18 5.227 -6.309 -7.394 103 1HB ARG 18 2HB ARG 18 7.354 -7.451 -9.165 104 2HB ARG 18 1HB ARG 18 6.764 -8.029 -7.605 105 1HG ARG 18 2HG ARG 18 5.083 -8.054 -10.124 106 2HG ARG 18 1HG ARG 18 6.050 -9.431 -9.593 107 1HD ARG 18 2HD ARG 18 3.902 -8.086 -7.932 108 2HD ARG 18 1HD ARG 18 3.682 -9.583 -8.833 109 HE ARG 18 HE ARG 18 5.887 -9.579 -6.926 110 1HH1 ARG 18 1HH2 ARG 18 2.568 -10.281 -7.610 111 2HH1 ARG 18 2HH2 ARG 18 2.407 -11.442 -6.335 112 1HH2 ARG 18 1HH1 ARG 18 5.683 -11.101 -5.252 113 2HH2 ARG 18 2HH1 ARG 18 4.170 -11.907 -5.001 114 HA PRO 19 HA PRO 19 8.052 -2.930 -7.193 115 1HB PRO 19 2HB PRO 19 9.359 -3.564 -4.879 116 2HB PRO 19 1HB PRO 19 7.699 -2.943 -4.919 117 1HG PRO 19 2HG PRO 19 8.668 -5.737 -4.583 118 2HG PRO 19 1HG PRO 19 7.329 -4.901 -3.780 119 1HD PRO 19 2HD PRO 19 6.956 -6.667 -5.840 120 2HD PRO 19 1HD PRO 19 5.852 -5.314 -5.514 121 H THR 20 H THR 20 10.046 -2.456 -7.992 122 HA THR 20 HA THR 20 11.711 -4.588 -8.963 123 HB THR 20 HB THR 20 13.022 -2.865 -9.980 124 HG1 THR 20 1HG THR 20 13.304 -1.470 -8.292 125 1HG2 THR 20 1HG2 THR 20 10.174 -1.839 -9.876 126 2HG2 THR 20 2HG2 THR 20 10.687 -3.218 -10.848 127 3HG2 THR 20 3HG2 THR 20 11.338 -1.613 -11.182 128 H PHE 21 H PHE 21 11.456 -2.994 -6.006 129 HA PHE 21 HA PHE 21 14.220 -3.765 -5.281 130 1HB PHE 21 2HB PHE 21 13.846 -1.310 -5.227 131 2HB PHE 21 1HB PHE 21 12.547 -1.557 -4.059 132 HD1 PHE 21 1HD PHE 21 16.195 -1.922 -4.631 133 HD2 PHE 21 2HD PHE 21 13.006 -2.044 -1.755 134 HE1 PHE 21 1HE PHE 21 17.856 -1.980 -2.790 135 HE2 PHE 21 2HE PHE 21 14.667 -2.101 0.085 136 HZ PHE 21 HZ PHE 21 17.093 -2.069 -0.433 137 H VAL 22 H VAL 22 14.490 -5.048 -3.521 138 HA VAL 22 HA VAL 22 12.163 -5.596 -1.802 139 HB VAL 22 HB VAL 22 13.858 -7.892 -2.699 140 1HG1 VAL 22 1HG1 VAL 22 10.902 -7.677 -2.073 141 2HG1 VAL 22 2HG1 VAL 22 12.129 -8.011 -0.852 142 3HG1 VAL 22 3HG1 VAL 22 11.870 -9.148 -2.175 143 1HG2 VAL 22 1HG2 VAL 22 11.593 -6.611 -4.253 144 2HG2 VAL 22 2HG2 VAL 22 12.138 -8.266 -4.525 145 3HG2 VAL 22 3HG2 VAL 22 13.236 -6.918 -4.816 146 H GLY 23 H GLY 23 12.710 -5.504 0.277 147 1HA GLY 23 2HA GLY 23 15.571 -5.720 0.985 148 2HA GLY 23 1HA GLY 23 14.374 -4.804 1.895 149 H GLU 24 H GLU 24 13.337 -5.774 3.552 150 HA GLU 24 HA GLU 24 13.251 -8.697 3.707 151 1HB GLU 24 2HB GLU 24 15.380 -7.907 4.818 152 2HB GLU 24 1HB GLU 24 14.370 -7.055 5.986 153 1HG GLU 24 2HG GLU 24 14.904 -9.197 6.944 154 2HG GLU 24 1HG GLU 24 13.212 -9.254 6.452 155 H GLU 25 H GLU 25 12.638 -5.774 5.672 156 HA GLU 25 HA GLU 25 10.099 -6.940 6.564 157 1HB GLU 25 2HB GLU 25 11.709 -5.878 8.191 158 2HB GLU 25 1HB GLU 25 11.359 -4.329 7.421 159 1HG GLU 25 2HG GLU 25 9.895 -4.529 9.325 160 2HG GLU 25 1HG GLU 25 8.912 -4.754 7.880 161 H VAL 26 H VAL 26 8.195 -6.349 5.739 162 HA VAL 26 HA VAL 26 8.080 -3.868 4.130 163 HB VAL 26 HB VAL 26 6.409 -6.329 3.620 164 1HG1 VAL 26 1HG1 VAL 26 6.180 -5.237 1.389 165 2HG1 VAL 26 2HG1 VAL 26 7.125 -3.874 1.988 166 3HG1 VAL 26 3HG1 VAL 26 5.551 -4.234 2.697 167 1HG2 VAL 26 1HG2 VAL 26 8.655 -7.077 3.276 168 2HG2 VAL 26 2HG2 VAL 26 9.125 -5.545 2.537 169 3HG2 VAL 26 3HG2 VAL 26 8.049 -6.645 1.677 170 H THR 27 H THR 27 6.455 -2.479 4.564 171 HA THR 27 HA THR 27 4.233 -3.379 6.273 172 HB THR 27 HB THR 27 5.266 -0.686 6.888 173 HG1 THR 27 1HG THR 27 7.228 -1.414 7.086 174 1HG2 THR 27 1HG2 THR 27 3.380 -2.010 8.019 175 2HG2 THR 27 2HG2 THR 27 4.578 -1.272 9.084 176 3HG2 THR 27 3HG2 THR 27 4.655 -2.998 8.731 177 H LYS 28 H LYS 28 2.308 -2.624 5.618 178 HA LYS 28 HA LYS 28 2.225 -0.874 3.295 179 1HB LYS 28 2HB LYS 28 -0.225 -1.871 4.702 180 2HB LYS 28 1HB LYS 28 0.054 -1.623 2.978 181 1HG LYS 28 2HG LYS 28 1.730 -3.520 3.076 182 2HG LYS 28 1HG LYS 28 1.163 -3.841 4.714 183 1HD LYS 28 2HD LYS 28 -0.543 -3.860 2.207 184 2HD LYS 28 1HD LYS 28 -0.023 -5.279 3.118 185 1HE LYS 28 2HE LYS 28 -2.161 -4.924 3.987 186 2HE LYS 28 1HE LYS 28 -1.158 -4.048 5.143 187 1HZ LYS 28 1HZ LYS 28 -2.392 -2.284 4.664 188 2HZ LYS 28 2HZ LYS 28 -3.130 -3.054 3.340 189 3HZ LYS 28 3HZ LYS 28 -1.646 -2.251 3.140 190 H GLY 29 H GLY 29 2.119 1.260 3.487 191 1HA GLY 29 2HA GLY 29 1.913 2.735 5.807 192 2HA GLY 29 1HA GLY 29 1.478 3.353 4.215 193 H PHE 30 H PHE 30 -0.726 2.962 3.455 194 HA PHE 30 HA PHE 30 -2.639 3.344 5.602 195 1HB PHE 30 2HB PHE 30 -2.937 3.324 2.591 196 2HB PHE 30 1HB PHE 30 -4.252 3.664 3.716 197 HD1 PHE 30 1HD PHE 30 -1.658 5.110 1.802 198 HD2 PHE 30 2HD PHE 30 -3.704 5.492 5.559 199 HE1 PHE 30 1HE PHE 30 -0.910 7.469 1.969 200 HE2 PHE 30 2HE PHE 30 -2.956 7.851 5.726 201 HZ PHE 30 HZ PHE 30 -1.559 8.839 3.931 202 H GLU 31 H GLU 31 -3.731 1.750 6.535 203 HA GLU 31 HA GLU 31 -3.542 -0.955 5.761 204 1HB GLU 31 2HB GLU 31 -4.098 -0.095 8.064 205 2HB GLU 31 1HB GLU 31 -5.718 0.271 7.467 206 1HG GLU 31 2HG GLU 31 -5.813 -1.908 8.489 207 2HG GLU 31 1HG GLU 31 -5.901 -2.144 6.744 208 H LYS 32 H LYS 32 -5.777 1.583 4.899 209 HA LYS 32 HA LYS 32 -7.895 -0.015 3.920 210 1HB LYS 32 2HB LYS 32 -7.852 2.523 4.365 211 2HB LYS 32 1HB LYS 32 -7.130 2.658 2.761 212 1HG LYS 32 2HG LYS 32 -9.067 1.348 1.844 213 2HG LYS 32 1HG LYS 32 -9.810 1.420 3.443 214 1HD LYS 32 2HD LYS 32 -8.893 3.948 2.092 215 2HD LYS 32 1HD LYS 32 -10.453 3.235 1.675 216 1HE LYS 32 2HE LYS 32 -9.550 4.022 4.462 217 2HE LYS 32 1HE LYS 32 -10.726 4.889 3.473 218 1HZ LYS 32 1HZ LYS 32 -12.141 3.595 4.648 219 2HZ LYS 32 2HZ LYS 32 -11.000 2.363 4.906 220 3HZ LYS 32 3HZ LYS 32 -11.796 2.487 3.411 221 H ASP 33 H ASP 33 -8.469 -0.448 1.708 222 HA ASP 33 HA ASP 33 -8.055 -1.272 -0.396 223 1HB ASP 33 2HB ASP 33 -5.660 0.575 -0.349 224 2HB ASP 33 1HB ASP 33 -6.451 -0.097 -1.775 225 H ASN 34 H ASN 34 -5.574 -1.727 -1.693 226 HA ASN 34 HA ASN 34 -4.772 -4.140 -0.304 227 1HB ASN 34 2HB ASN 34 -3.876 -2.937 -2.932 228 2HB ASN 34 1HB ASN 34 -3.367 -4.511 -2.324 229 1HD2 ASN 34 1HD2 ASN 34 -4.801 -4.322 -4.774 230 2HD2 ASN 34 2HD2 ASN 34 -6.344 -4.995 -4.554 231 H GLY 35 H GLY 35 -4.074 -1.315 0.646 232 1HA GLY 35 2HA GLY 35 -2.270 -0.847 2.137 233 2HA GLY 35 1HA GLY 35 -1.239 -1.903 1.174 234 H LEU 36 H LEU 36 -2.441 -0.590 -1.303 235 HA LEU 36 HA LEU 36 -1.859 1.082 -2.765 236 1HB LEU 36 2HB LEU 36 -1.427 2.798 -0.315 237 2HB LEU 36 1HB LEU 36 -1.850 3.326 -1.944 238 HG LEU 36 HG LEU 36 -3.589 1.633 -0.124 239 1HD1 LEU 36 1HD1 LEU 36 -4.102 4.432 -1.149 240 2HD1 LEU 36 2HD1 LEU 36 -3.301 4.127 0.392 241 3HD1 LEU 36 3HD1 LEU 36 -4.954 3.571 0.133 242 1HD2 LEU 36 1HD2 LEU 36 -4.124 0.960 -2.321 243 2HD2 LEU 36 2HD2 LEU 36 -3.848 2.574 -2.979 244 3HD2 LEU 36 3HD2 LEU 36 -5.282 2.252 -2.003 245 H LEU 37 H LEU 37 0.189 2.091 -0.044 246 HA LEU 37 HA LEU 37 2.546 1.632 -1.771 247 1HB LEU 37 2HB LEU 37 2.103 4.005 -1.163 248 2HB LEU 37 1HB LEU 37 2.267 3.570 0.539 249 HG LEU 37 HG LEU 37 4.562 2.563 -0.189 250 1HD1 LEU 37 1HD1 LEU 37 5.463 3.209 -2.212 251 2HD1 LEU 37 2HD1 LEU 37 4.516 4.694 -2.279 252 3HD1 LEU 37 3HD1 LEU 37 3.763 3.149 -2.675 253 1HD2 LEU 37 1HD2 LEU 37 4.519 4.439 1.285 254 2HD2 LEU 37 2HD2 LEU 37 3.920 5.512 0.020 255 3HD2 LEU 37 3HD2 LEU 37 5.578 4.915 -0.042 256 H PHE 38 H PHE 38 4.126 0.313 -1.077 257 HA PHE 38 HA PHE 38 3.811 -0.894 1.595 258 1HB PHE 38 2HB PHE 38 5.310 -1.894 -0.840 259 2HB PHE 38 1HB PHE 38 5.179 -2.742 0.701 260 HD1 PHE 38 1HD PHE 38 3.256 -1.474 -2.211 261 HD2 PHE 38 2HD PHE 38 3.188 -3.926 1.315 262 HE1 PHE 38 1HE PHE 38 1.080 -2.431 -2.918 263 HE2 PHE 38 2HE PHE 38 1.013 -4.884 0.607 264 HZ PHE 38 HZ PHE 38 -0.042 -4.136 -1.509 265 H ARG 39 H ARG 39 5.264 -0.476 3.131 266 HA ARG 39 HA ARG 39 7.569 1.183 2.507 267 1HB ARG 39 2HB ARG 39 6.161 1.628 4.505 268 2HB ARG 39 1HB ARG 39 6.654 0.070 5.169 269 1HG ARG 39 2HG ARG 39 8.992 0.769 5.182 270 2HG ARG 39 1HG ARG 39 8.567 2.295 4.407 271 1HD ARG 39 2HD ARG 39 8.815 2.675 6.795 272 2HD ARG 39 1HD ARG 39 7.115 2.835 6.365 273 HE ARG 39 HE ARG 39 7.667 0.162 7.150 274 1HH1 ARG 39 1HH2 ARG 39 7.347 3.385 8.365 275 2HH1 ARG 39 2HH2 ARG 39 6.824 2.887 9.940 276 1HH2 ARG 39 1HH1 ARG 39 6.981 -0.499 9.212 277 2HH2 ARG 39 2HH1 ARG 39 6.616 0.688 10.419 278 H ILE 40 H ILE 40 9.100 -0.034 1.477 279 HA ILE 40 HA ILE 40 9.844 -2.651 2.522 280 HB ILE 40 HB ILE 40 11.079 -1.088 0.245 281 1HG1 ILE 40 2HG1 ILE 40 8.941 -3.240 0.138 282 2HG1 ILE 40 1HG1 ILE 40 8.608 -1.515 -0.017 283 1HG2 ILE 40 1HG2 ILE 40 12.527 -2.863 0.966 284 2HG2 ILE 40 2HG2 ILE 40 11.687 -3.453 -0.468 285 3HG2 ILE 40 3HG2 ILE 40 11.174 -3.981 1.134 286 1HD1 ILE 40 1HD1 ILE 40 10.273 -1.471 -1.930 287 2HD1 ILE 40 2HD1 ILE 40 8.799 -2.386 -2.249 288 3HD1 ILE 40 3HD1 ILE 40 10.295 -3.233 -1.853 289 H VAL 41 H VAL 41 11.538 -3.045 3.816 290 HA VAL 41 HA VAL 41 13.601 -0.963 4.131 291 HB VAL 41 HB VAL 41 12.249 -2.412 6.419 292 1HG1 VAL 41 1HG1 VAL 41 14.510 -0.418 6.225 293 2HG1 VAL 41 2HG1 VAL 41 14.501 -1.982 7.041 294 3HG1 VAL 41 3HG1 VAL 41 13.586 -0.631 7.711 295 1HG2 VAL 41 1HG2 VAL 41 11.314 -0.220 6.980 296 2HG2 VAL 41 2HG2 VAL 41 10.833 -0.662 5.341 297 3HG2 VAL 41 3HG2 VAL 41 12.130 0.507 5.595 298 H ASN 42 H ASN 42 15.581 -1.780 3.936 299 HA ASN 42 HA ASN 42 15.928 -4.699 4.192 300 1HB ASN 42 2HB ASN 42 16.532 -3.348 2.044 301 2HB ASN 42 1HB ASN 42 17.953 -2.854 2.963 302 1HD2 ASN 42 1HD2 ASN 42 17.521 -4.829 0.588 303 2HD2 ASN 42 2HD2 ASN 42 18.342 -6.226 1.095 304 H LYS 43 H LYS 43 16.403 -5.067 6.304 305 HA LYS 43 HA LYS 43 17.783 -3.413 8.063 306 1HB LYS 43 2HB LYS 43 17.637 -6.434 7.983 307 2HB LYS 43 1HB LYS 43 18.249 -5.502 9.350 308 1HG LYS 43 2HG LYS 43 16.028 -4.265 9.357 309 2HG LYS 43 1HG LYS 43 15.447 -5.471 8.207 310 1HD LYS 43 2HD LYS 43 16.579 -6.087 10.953 311 2HD LYS 43 1HD LYS 43 14.863 -6.078 10.541 312 1HE LYS 43 2HE LYS 43 15.396 -8.341 10.302 313 2HE LYS 43 1HE LYS 43 15.585 -7.749 8.652 314 1HZ LYS 43 1HZ LYS 43 17.643 -8.537 8.754 315 2HZ LYS 43 2HZ LYS 43 17.546 -8.811 10.427 316 3HZ LYS 43 3HZ LYS 43 18.004 -7.284 9.839 317 H LYS 44 H LYS 44 18.993 -5.565 5.589 318 HA LYS 44 HA LYS 44 21.637 -5.893 6.410 319 1HB LYS 44 2HB LYS 44 20.475 -6.963 4.415 320 2HB LYS 44 1HB LYS 44 20.799 -5.465 3.543 321 1HG LYS 44 2HG LYS 44 23.252 -5.783 4.306 322 2HG LYS 44 1HG LYS 44 22.778 -7.443 4.668 323 1HD LYS 44 2HD LYS 44 22.638 -6.043 1.986 324 2HD LYS 44 1HD LYS 44 23.647 -7.423 2.419 325 1HE LYS 44 2HE LYS 44 21.465 -8.664 2.938 326 2HE LYS 44 1HE LYS 44 20.642 -7.344 2.106 327 1HZ LYS 44 1HZ LYS 44 22.628 -7.973 0.396 328 2HZ LYS 44 2HZ LYS 44 21.031 -8.542 0.281 329 3HZ LYS 44 3HZ LYS 44 22.226 -9.494 1.027 330 H LYS 45 H LYS 45 20.647 -3.596 3.868 331 HA LYS 45 HA LYS 45 22.948 -1.917 4.522 332 1HB LYS 45 2HB LYS 45 20.908 -1.765 2.290 333 2HB LYS 45 1HB LYS 45 22.282 -0.674 2.472 334 1HG LYS 45 2HG LYS 45 23.809 -2.650 2.400 335 2HG LYS 45 1HG LYS 45 22.409 -3.677 2.086 336 1HD LYS 45 2HD LYS 45 21.909 -2.308 0.057 337 2HD LYS 45 1HD LYS 45 23.392 -1.399 0.345 338 1HE LYS 45 2HE LYS 45 23.830 -3.165 -1.285 339 2HE LYS 45 1HE LYS 45 24.685 -3.524 0.214 340 1HZ LYS 45 1HZ LYS 45 22.138 -4.620 0.427 341 2HZ LYS 45 2HZ LYS 45 23.619 -5.444 0.293 342 3HZ LYS 45 3HZ LYS 45 22.728 -5.058 -1.102 343 H LYS 46 H LYS 46 19.813 -2.187 5.550 344 HA LYS 46 HA LYS 46 18.364 -0.802 6.672 345 1HB LYS 46 2HB LYS 46 21.070 0.267 7.214 346 2HB LYS 46 1HB LYS 46 19.730 1.363 7.552 347 1HG LYS 46 2HG LYS 46 19.607 -1.491 8.495 348 2HG LYS 46 1HG LYS 46 20.513 -0.295 9.423 349 1HD LYS 46 2HD LYS 46 18.625 0.891 10.011 350 2HD LYS 46 1HD LYS 46 17.759 0.445 8.540 351 1HE LYS 46 2HE LYS 46 17.085 -0.631 10.860 352 2HE LYS 46 1HE LYS 46 17.087 -1.609 9.392 353 1HZ LYS 46 1HZ LYS 46 19.659 -1.501 10.631 354 2HZ LYS 46 2HZ LYS 46 18.742 -2.850 10.158 355 3HZ LYS 46 3HZ LYS 46 18.482 -2.133 11.676 356 H GLN 47 H GLN 47 18.681 -0.446 3.795 357 HA GLN 47 HA GLN 47 18.261 2.449 3.470 358 1HB GLN 47 2HB GLN 47 18.524 2.065 1.095 359 2HB GLN 47 1HB GLN 47 19.850 1.267 1.940 360 1HG GLN 47 2HG GLN 47 18.297 -0.821 1.931 361 2HG GLN 47 1HG GLN 47 17.421 0.032 0.660 362 1HE2 GLN 47 1HE2 GLN 47 20.343 1.239 0.095 363 2HE2 GLN 47 2HE2 GLN 47 21.007 0.049 -0.918 364 H TRP 48 H TRP 48 16.267 3.239 3.351 365 HA TRP 48 HA TRP 48 13.996 1.429 3.228 366 1HB TRP 48 2HB TRP 48 14.223 4.423 3.584 367 2HB TRP 48 1HB TRP 48 12.685 3.561 3.530 368 HD1 TRP 48 HD TRP 48 15.294 1.484 5.110 369 HE1 TRP 48 1HE TRP 48 15.025 1.483 7.674 370 HE3 TRP 48 3HE TRP 48 11.969 5.323 5.651 371 HZ2 TRP 48 2HZ TRP 48 13.589 2.921 9.688 372 HZ3 TRP 48 3HZ TRP 48 11.169 5.986 7.900 373 HH2 TRP 48 HH TRP 48 11.974 4.791 9.919 374 H ALA 49 H ALA 49 12.431 1.384 1.631 375 HA ALA 49 HA ALA 49 12.825 3.036 -0.761 376 1HB ALA 49 1HB ALA 49 12.490 0.904 -2.148 377 2HB ALA 49 2HB ALA 49 12.922 0.022 -0.683 378 3HB ALA 49 3HB ALA 49 14.077 1.137 -1.415 379 H TYR 50 H TYR 50 10.956 3.222 -2.066 380 HA TYR 50 HA TYR 50 8.487 2.123 -0.870 381 1HB TYR 50 2HB TYR 50 9.033 4.932 -1.832 382 2HB TYR 50 1HB TYR 50 7.401 4.302 -1.602 383 HD1 TYR 50 1HD TYR 50 10.153 5.897 -0.019 384 HD2 TYR 50 2HD TYR 50 6.934 3.151 0.714 385 HE1 TYR 50 1HE TYR 50 10.320 6.351 2.413 386 HE2 TYR 50 2HE TYR 50 7.100 3.605 3.147 387 HH TYR 50 HH TYR 50 9.120 4.458 4.720 388 H TYR 51 H TYR 51 6.999 1.322 -2.264 389 HA TYR 51 HA TYR 51 7.572 1.590 -5.155 390 1HB TYR 51 2HB TYR 51 8.083 -0.657 -4.644 391 2HB TYR 51 1HB TYR 51 6.712 -0.808 -3.545 392 HD1 TYR 51 1HD TYR 51 4.588 -1.501 -4.327 393 HD2 TYR 51 2HD TYR 51 7.619 -0.319 -7.131 394 HE1 TYR 51 1HE TYR 51 3.172 -2.305 -6.197 395 HE2 TYR 51 2HE TYR 51 6.203 -1.122 -9.001 396 HH TYR 51 HH TYR 51 2.888 -2.106 -8.504 397 H ASN 52 H ASN 52 6.019 2.636 -6.208 398 HA ASN 52 HA ASN 52 3.402 2.992 -4.976 399 1HB ASN 52 2HB ASN 52 4.609 4.895 -6.044 400 2HB ASN 52 1HB ASN 52 4.451 4.077 -7.598 401 1HD2 ASN 52 1HD2 ASN 52 3.240 6.500 -7.570 402 2HD2 ASN 52 2HD2 ASN 52 1.557 6.361 -7.404 403 H ASP 53 H ASP 53 1.574 1.990 -5.578 404 HA ASP 53 HA ASP 53 1.733 0.126 -7.866 405 1HB ASP 53 2HB ASP 53 0.024 -1.186 -6.758 406 2HB ASP 53 1HB ASP 53 1.337 -0.887 -5.621 407 H THR 54 H THR 54 -0.255 2.579 -6.280 408 HA THR 54 HA THR 54 -2.517 2.462 -7.924 409 HB THR 54 HB THR 54 -2.730 4.938 -7.305 410 HG1 THR 54 1HG THR 54 -0.247 4.777 -6.919 411 1HG2 THR 54 1HG2 THR 54 -3.792 3.143 -6.013 412 2HG2 THR 54 2HG2 THR 54 -3.174 4.392 -4.930 413 3HG2 THR 54 3HG2 THR 54 -2.290 2.878 -5.126 414 H THR 55 H THR 55 -2.781 2.848 -10.022 415 HA THR 55 HA THR 55 -0.657 4.245 -11.492 416 HB THR 55 HB THR 55 -1.773 3.320 -13.502 417 HG1 THR 55 1HG THR 55 -3.831 3.011 -13.070 418 1HG2 THR 55 1HG2 THR 55 -0.026 2.049 -12.201 419 2HG2 THR 55 2HG2 THR 55 -1.126 1.027 -13.126 420 3HG2 THR 55 3HG2 THR 55 -1.339 1.200 -11.384 421 H GLN 56 H GLN 56 -3.181 5.261 -9.850 422 HA GLN 56 HA GLN 56 -3.967 7.259 -11.888 423 1HB GLN 56 2HB GLN 56 -6.073 7.375 -10.265 424 2HB GLN 56 1HB GLN 56 -5.990 6.204 -11.582 425 1HG GLN 56 2HG GLN 56 -4.928 5.548 -8.836 426 2HG GLN 56 1HG GLN 56 -6.630 5.320 -9.238 427 1HE2 GLN 56 1HE2 GLN 56 -6.639 4.279 -11.762 428 2HE2 GLN 56 2HE2 GLN 56 -5.730 2.848 -11.841 429 H TYR 57 H TYR 57 -2.611 6.648 -8.824 430 HA TYR 57 HA TYR 57 -2.559 9.544 -8.273 431 1HB TYR 57 2HB TYR 57 -2.755 7.625 -5.987 432 2HB TYR 57 1HB TYR 57 -3.234 9.320 -6.071 433 HD1 TYR 57 1HD TYR 57 -5.089 9.793 -7.984 434 HD2 TYR 57 2HD TYR 57 -4.469 6.053 -5.963 435 HE1 TYR 57 1HE TYR 57 -7.409 9.111 -8.532 436 HE2 TYR 57 2HE TYR 57 -6.789 5.371 -6.512 437 HH TYR 57 HH TYR 57 -8.898 6.346 -7.108 438 H GLU 58 H GLU 58 -0.678 10.301 -7.317 439 HA GLU 58 HA GLU 58 1.611 8.481 -7.473 440 1HB GLU 58 2HB GLU 58 2.729 10.845 -6.862 441 2HB GLU 58 1HB GLU 58 2.294 10.400 -8.512 442 1HG GLU 58 2HG GLU 58 0.146 11.543 -8.292 443 2HG GLU 58 1HG GLU 58 0.493 11.922 -6.606 444 H MET 59 H MET 59 3.013 8.097 -5.758 445 HA MET 59 HA MET 59 1.802 8.428 -3.113 446 1HB MET 59 2HB MET 59 3.912 6.651 -4.276 447 2HB MET 59 1HB MET 59 3.890 6.936 -2.535 448 1HG MET 59 2HG MET 59 2.524 4.930 -3.443 449 2HG MET 59 1HG MET 59 1.737 6.004 -2.287 450 1HE MET 59 1HE MET 59 -0.354 4.464 -3.542 451 2HE MET 59 2HE MET 59 -1.438 5.720 -4.134 452 3HE MET 59 3HE MET 59 -0.579 5.954 -2.614 453 H HIS 60 H HIS 60 2.362 10.104 -1.894 454 HA HIS 60 HA HIS 60 5.012 11.341 -2.296 455 1HB HIS 60 2HB HIS 60 2.487 12.445 -1.042 456 2HB HIS 60 1HB HIS 60 4.023 13.306 -1.135 457 HD1 HIS 60 1HD HIS 60 4.444 14.600 -3.238 458 HD2 HIS 60 2HD HIS 60 1.456 11.740 -3.756 459 HE1 HIS 60 1HE HIS 60 3.515 14.950 -5.568 460 HE2 HIS 60 2HE HIS 60 1.691 13.214 -5.898 461 H VAL 61 H VAL 61 6.517 10.925 -0.817 462 HA VAL 61 HA VAL 61 5.661 9.931 1.823 463 HB VAL 61 HB VAL 61 8.256 9.635 0.303 464 1HG1 VAL 61 1HG1 VAL 61 8.817 8.122 2.303 465 2HG1 VAL 61 2HG1 VAL 61 7.514 8.953 3.152 466 3HG1 VAL 61 3HG1 VAL 61 8.912 9.861 2.579 467 1HG2 VAL 61 1HG2 VAL 61 7.672 7.269 0.316 468 2HG2 VAL 61 2HG2 VAL 61 6.317 8.183 -0.344 469 3HG2 VAL 61 3HG2 VAL 61 6.255 7.590 1.316 470 H LEU 62 H LEU 62 6.094 11.040 3.633 471 HA LEU 62 HA LEU 62 8.127 13.160 3.588 472 1HB LEU 62 2HB LEU 62 5.972 14.253 3.047 473 2HB LEU 62 1HB LEU 62 5.284 13.601 4.535 474 HG LEU 62 HG LEU 62 7.211 14.757 5.761 475 1HD1 LEU 62 1HD1 LEU 62 8.766 15.265 4.069 476 2HD1 LEU 62 2HD1 LEU 62 7.990 16.819 4.373 477 3HD1 LEU 62 3HD1 LEU 62 7.518 15.858 2.972 478 1HD2 LEU 62 1HD2 LEU 62 6.080 17.033 5.527 479 2HD2 LEU 62 2HD2 LEU 62 5.009 15.692 5.930 480 3HD2 LEU 62 3HD2 LEU 62 5.070 16.304 4.278 481 H VAL 63 H VAL 63 9.393 11.916 4.973 482 HA VAL 63 HA VAL 63 8.229 11.347 7.631 483 HB VAL 63 HB VAL 63 10.649 10.084 6.323 484 1HG1 VAL 63 1HG1 VAL 63 10.431 8.468 8.196 485 2HG1 VAL 63 2HG1 VAL 63 9.120 9.441 8.864 486 3HG1 VAL 63 3HG1 VAL 63 10.752 10.102 8.775 487 1HG2 VAL 63 1HG2 VAL 63 8.314 9.605 5.331 488 2HG2 VAL 63 2HG2 VAL 63 7.969 8.793 6.858 489 3HG2 VAL 63 3HG2 VAL 63 9.275 8.212 5.824 490 H THR 64 H THR 64 9.093 12.277 9.396 491 HA THR 64 HA THR 64 11.498 13.957 9.011 492 HB THR 64 HB THR 64 9.262 14.282 11.028 493 HG1 THR 64 1HG THR 64 9.897 15.579 8.595 494 1HG2 THR 64 1HG2 THR 64 11.273 15.170 11.955 495 2HG2 THR 64 2HG2 THR 64 10.403 16.550 11.286 496 3HG2 THR 64 3HG2 THR 64 11.766 15.856 10.408 497 H PHE 65 H PHE 65 13.231 13.643 10.305 498 HA PHE 65 HA PHE 65 12.962 11.629 12.458 499 1HB PHE 65 2HB PHE 65 15.570 12.137 11.080 500 2HB PHE 65 1HB PHE 65 14.982 10.668 11.860 501 HD1 PHE 65 1HD PHE 65 13.569 9.094 10.689 502 HD2 PHE 65 2HD PHE 65 14.754 12.781 8.831 503 HE1 PHE 65 1HE PHE 65 12.756 8.254 8.502 504 HE2 PHE 65 2HE PHE 65 13.942 11.940 6.644 505 HZ PHE 65 HZ PHE 65 12.943 9.677 6.480 506 H ASN 66 H ASN 66 14.600 11.835 14.190 507 HA ASN 66 HA ASN 66 14.748 14.581 15.091 508 1HB ASN 66 2HB ASN 66 14.238 12.581 16.570 509 2HB ASN 66 1HB ASN 66 15.941 12.149 16.426 510 1HD2 ASN 66 1HD2 ASN 66 17.185 12.962 18.110 511 2HD2 ASN 66 2HD2 ASN 66 16.857 14.392 18.963 512 H GLU 67 H GLU 67 16.709 15.623 15.766 513 HA GLU 67 HA GLU 67 18.724 15.745 13.885 514 1HB GLU 67 2HB GLU 67 18.589 17.519 15.445 515 2HB GLU 67 1HB GLU 67 18.713 16.425 16.823 516 1HG GLU 67 2HG GLU 67 21.008 16.026 16.455 517 2HG GLU 67 1HG GLU 67 20.935 16.619 14.797 518 H ASP 68 H ASP 68 18.682 13.862 16.903 519 HA ASP 68 HA ASP 68 21.261 12.679 16.395 520 1HB ASP 68 2HB ASP 68 19.091 12.029 18.400 521 2HB ASP 68 1HB ASP 68 20.668 11.245 18.357 522 H CYS 69 H CYS 69 20.573 11.988 14.160 523 HA CYS 69 HA CYS 69 19.830 9.177 14.265 524 1HB CYS 69 2HB CYS 69 18.281 11.070 12.486 525 2HB CYS 69 1HB CYS 69 18.025 9.336 12.677 526 HG CYS 69 HG CYS 69 16.685 11.327 14.360 527 H ASP 70 H ASP 70 21.428 8.246 13.169 528 HA ASP 70 HA ASP 70 22.971 9.660 11.197 529 1HB ASP 70 2HB ASP 70 23.851 7.876 12.772 530 2HB ASP 70 1HB ASP 70 23.020 6.694 11.764 531 H ILE 71 H ILE 71 21.266 10.195 9.690 532 HA ILE 71 HA ILE 71 20.625 7.936 7.894 533 HB ILE 71 HB ILE 71 18.462 9.018 7.412 534 1HG1 ILE 71 2HG1 ILE 71 19.282 10.910 9.642 535 2HG1 ILE 71 1HG1 ILE 71 19.150 11.337 7.935 536 1HG2 ILE 71 1HG2 ILE 71 18.901 8.608 10.384 537 2HG2 ILE 71 2HG2 ILE 71 18.680 7.302 9.219 538 3HG2 ILE 71 3HG2 ILE 71 17.374 8.448 9.517 539 1HD1 ILE 71 1HD1 ILE 71 16.943 10.562 9.843 540 2HD1 ILE 71 2HD1 ILE 71 16.721 10.487 8.096 541 3HD1 ILE 71 3HD1 ILE 71 17.086 12.028 8.873 542 H LYS 72 H LYS 72 20.202 8.609 5.649 543 HA LYS 72 HA LYS 72 21.360 11.200 4.894 544 1HB LYS 72 2HB LYS 72 22.659 9.934 3.072 545 2HB LYS 72 1HB LYS 72 23.297 9.863 4.715 546 1HG LYS 72 2HG LYS 72 22.873 7.637 4.916 547 2HG LYS 72 1HG LYS 72 21.324 7.763 4.080 548 1HD LYS 72 2HD LYS 72 22.935 6.426 2.768 549 2HD LYS 72 1HD LYS 72 22.493 7.907 1.916 550 1HE LYS 72 2HE LYS 72 25.025 7.237 2.092 551 2HE LYS 72 1HE LYS 72 24.558 8.921 2.331 552 1HZ LYS 72 1HZ LYS 72 24.515 8.527 4.719 553 2HZ LYS 72 2HZ LYS 72 26.048 8.179 4.071 554 3HZ LYS 72 3HZ LYS 72 24.988 6.916 4.479 555 H ALA 73 H ALA 73 21.369 11.058 2.235 556 HA ALA 73 HA ALA 73 18.581 10.351 1.543 557 1HB ALA 73 1HB ALA 73 19.689 12.830 1.458 558 2HB ALA 73 2HB ALA 73 18.371 12.309 0.408 559 3HB ALA 73 3HB ALA 73 20.034 12.265 -0.176 560 H LEU 74 H LEU 74 18.196 9.097 -0.216 561 HA LEU 74 HA LEU 74 20.556 7.917 -1.517 562 1HB LEU 74 2HB LEU 74 17.679 6.972 -1.459 563 2HB LEU 74 1HB LEU 74 19.037 6.103 -2.174 564 HG LEU 74 HG LEU 74 18.918 6.930 0.738 565 1HD1 LEU 74 1HD1 LEU 74 18.248 4.698 1.271 566 2HD1 LEU 74 2HD1 LEU 74 18.496 4.154 -0.389 567 3HD1 LEU 74 3HD1 LEU 74 17.155 5.235 -0.005 568 1HD2 LEU 74 1HD2 LEU 74 21.171 6.587 0.233 569 2HD2 LEU 74 2HD2 LEU 74 20.814 5.371 -0.994 570 3HD2 LEU 74 3HD2 LEU 74 20.675 4.964 0.716 571 H GLY 75 H GLY 75 17.436 7.714 -2.998 572 1HA GLY 75 2HA GLY 75 18.313 8.512 -5.532 573 2HA GLY 75 1HA GLY 75 16.628 8.448 -5.025 574 H LYS 76 H LYS 76 16.045 10.334 -6.115 575 HA LYS 76 HA LYS 76 17.448 12.803 -5.850 576 1HB LYS 76 2HB LYS 76 15.588 13.785 -7.008 577 2HB LYS 76 1HB LYS 76 15.874 12.199 -7.725 578 1HG LYS 76 2HG LYS 76 14.120 11.294 -6.107 579 2HG LYS 76 1HG LYS 76 13.718 12.974 -5.750 580 1HD LYS 76 2HD LYS 76 13.666 11.708 -8.506 581 2HD LYS 76 1HD LYS 76 12.249 12.061 -7.517 582 1HE LYS 76 2HE LYS 76 12.361 13.944 -8.904 583 2HE LYS 76 1HE LYS 76 13.211 14.494 -7.460 584 1HZ LYS 76 1HZ LYS 76 15.086 13.216 -9.047 585 2HZ LYS 76 2HZ LYS 76 14.959 14.882 -8.737 586 3HZ LYS 76 3HZ LYS 76 14.192 14.206 -10.095 587 H THR 77 H THR 77 15.866 11.091 -3.563 588 HA THR 77 HA THR 77 14.085 12.748 -2.269 589 HB THR 77 HB THR 77 16.190 11.000 -0.972 590 HG1 THR 77 1HG THR 77 15.056 9.601 -2.089 591 1HG2 THR 77 1HG2 THR 77 15.199 12.445 0.676 592 2HG2 THR 77 2HG2 THR 77 14.430 10.866 0.838 593 3HG2 THR 77 3HG2 THR 77 13.585 12.179 0.017 594 H LYS 78 H LYS 78 14.249 14.781 -1.595 595 HA LYS 78 HA LYS 78 16.832 16.045 -1.272 596 1HB LYS 78 2HB LYS 78 14.859 17.198 -2.296 597 2HB LYS 78 1HB LYS 78 14.084 17.181 -0.712 598 1HG LYS 78 2HG LYS 78 16.005 18.437 0.227 599 2HG LYS 78 1HG LYS 78 16.737 18.491 -1.377 600 1HD LYS 78 2HD LYS 78 14.693 19.664 -2.218 601 2HD LYS 78 1HD LYS 78 14.082 19.710 -0.564 602 1HE LYS 78 2HE LYS 78 16.222 20.899 0.088 603 2HE LYS 78 1HE LYS 78 16.590 21.029 -1.632 604 1HZ LYS 78 1HZ LYS 78 14.308 22.206 -0.159 605 2HZ LYS 78 2HZ LYS 78 14.327 22.082 -1.854 606 3HZ LYS 78 3HZ LYS 78 15.504 23.010 -1.053 607 H LEU 79 H LEU 79 17.951 16.082 0.559 608 HA LEU 79 HA LEU 79 16.494 15.707 3.108 609 1HB LEU 79 2HB LEU 79 17.952 13.815 2.629 610 2HB LEU 79 1HB LEU 79 19.318 14.901 2.372 611 HG LEU 79 HG LEU 79 19.192 15.658 4.697 612 1HD1 LEU 79 1HD1 LEU 79 16.955 15.579 5.342 613 2HD1 LEU 79 2HD1 LEU 79 17.592 14.153 6.162 614 3HD1 LEU 79 3HD1 LEU 79 16.706 13.977 4.647 615 1HD2 LEU 79 1HD2 LEU 79 20.613 13.764 4.403 616 2HD2 LEU 79 2HD2 LEU 79 19.242 12.667 4.240 617 3HD2 LEU 79 3HD2 LEU 79 19.618 13.382 5.808 618 H GLU 80 H GLU 80 16.638 17.286 4.573 619 HA GLU 80 HA GLU 80 18.939 19.073 4.627 620 1HB GLU 80 2HB GLU 80 17.492 21.103 4.518 621 2HB GLU 80 1HB GLU 80 17.536 20.202 3.002 622 1HG GLU 80 2HG GLU 80 15.413 19.078 3.633 623 2HG GLU 80 1HG GLU 80 15.358 20.046 5.105 624 H GLN 81 H GLN 81 19.082 20.294 6.568 625 HA GLN 81 HA GLN 81 17.390 19.218 8.737 626 1HB GLN 81 2HB GLN 81 19.838 18.757 8.879 627 2HB GLN 81 1HB GLN 81 20.125 20.496 8.941 628 1HG GLN 81 2HG GLN 81 18.785 20.673 10.983 629 2HG GLN 81 1HG GLN 81 18.412 18.952 10.909 630 1HE2 GLN 81 1HE2 GLN 81 19.637 19.721 13.227 631 2HE2 GLN 81 2HE2 GLN 81 21.271 19.265 13.238 632 H GLN 82 H GLN 82 16.610 20.627 10.350 633 HA GLN 82 HA GLN 82 16.354 23.424 9.444 634 1HB GLN 82 2HB GLN 82 14.627 22.227 11.578 635 2HB GLN 82 1HB GLN 82 14.246 23.490 10.407 636 1HG GLN 82 2HG GLN 82 14.573 20.531 9.839 637 2HG GLN 82 1HG GLN 82 13.079 21.463 9.755 638 1HE2 GLN 82 1HE2 GLN 82 15.267 20.099 7.742 639 2HE2 GLN 82 2HE2 GLN 82 15.233 21.209 6.458 640 H GLU 83 H GLU 83 16.116 25.038 11.250 641 HA GLU 83 HA GLU 83 18.428 25.048 12.862 642 1HB GLU 83 2HB GLU 83 17.166 27.078 12.110 643 2HB GLU 83 1HB GLU 83 15.914 26.678 13.288 644 1HG GLU 83 2HG GLU 83 17.623 26.756 15.092 645 2HG GLU 83 1HG GLU 83 18.830 27.240 13.902 646 H ASN 84 H ASN 84 15.090 24.127 13.523 647 HA ASN 84 HA ASN 84 15.266 23.913 16.326 648 1HB ASN 84 2HB ASN 84 13.347 22.298 16.058 649 2HB ASN 84 1HB ASN 84 13.107 23.865 15.288 650 1HD2 ASN 84 1HD2 ASN 84 14.811 20.838 14.278 651 2HD2 ASN 84 2HD2 ASN 84 14.037 20.741 12.771 652 H GLY 85 H GLY 85 16.426 21.875 13.764 653 1HA GLY 85 2HA GLY 85 18.171 20.288 14.115 654 2HA GLY 85 1HA GLY 85 17.612 20.081 15.772 655 H GLU 86 H GLU 86 16.045 19.874 12.570 656 HA GLU 86 HA GLU 86 15.313 17.084 13.182 657 1HB GLU 86 2HB GLU 86 13.450 19.256 12.196 658 2HB GLU 86 1HB GLU 86 13.054 17.537 12.196 659 1HG GLU 86 2HG GLU 86 13.889 19.068 14.673 660 2HG GLU 86 1HG GLU 86 12.210 18.784 14.217 661 H TRP 87 H TRP 87 15.308 15.712 11.445 662 HA TRP 87 HA TRP 87 16.400 16.809 8.945 663 1HB TRP 87 2HB TRP 87 16.294 14.020 10.099 664 2HB TRP 87 1HB TRP 87 16.787 14.343 8.437 665 HD1 TRP 87 HD TRP 87 18.005 14.462 11.976 666 HE1 TRP 87 1HE TRP 87 20.434 15.324 12.036 667 HE3 TRP 87 3HE TRP 87 18.491 16.069 7.152 668 HZ2 TRP 87 2HZ TRP 87 22.332 16.535 10.271 669 HZ3 TRP 87 3HZ TRP 87 20.618 17.067 6.369 670 HH2 TRP 87 HH TRP 87 22.537 17.306 7.921 671 H VAL 88 H VAL 88 15.261 16.852 7.099 672 HA VAL 88 HA VAL 88 12.635 15.487 7.071 673 HB VAL 88 HB VAL 88 13.421 18.146 5.858 674 1HG1 VAL 88 1HG1 VAL 88 11.943 17.113 4.298 675 2HG1 VAL 88 2HG1 VAL 88 10.925 18.170 5.276 676 3HG1 VAL 88 3HG1 VAL 88 10.944 16.433 5.582 677 1HG2 VAL 88 1HG2 VAL 88 11.673 19.005 7.384 678 2HG2 VAL 88 2HG2 VAL 88 12.954 18.193 8.283 679 3HG2 VAL 88 3HG2 VAL 88 11.417 17.375 8.005 680 H ALA 89 H ALA 89 12.204 14.183 5.386 681 HA ALA 89 HA ALA 89 13.890 14.356 2.979 682 1HB ALA 89 1HB ALA 89 14.836 12.615 4.496 683 2HB ALA 89 2HB ALA 89 14.257 11.958 2.965 684 3HB ALA 89 3HB ALA 89 13.292 11.766 4.427 685 H SER 90 H SER 90 12.361 14.930 1.534 686 HA SER 90 HA SER 90 9.886 13.310 1.443 687 1HB SER 90 2HB SER 90 8.738 15.209 0.540 688 2HB SER 90 1HB SER 90 9.615 15.767 1.962 689 HG SER 90 HG SER 90 9.894 17.135 0.127 690 H VAL 91 H VAL 91 9.213 12.494 -0.520 691 HA VAL 91 HA VAL 91 10.547 13.162 -2.987 692 HB VAL 91 HB VAL 91 12.138 11.575 -1.795 693 1HG1 VAL 91 1HG1 VAL 91 10.186 10.177 -0.902 694 2HG1 VAL 91 2HG1 VAL 91 11.539 9.276 -1.586 695 3HG1 VAL 91 3HG1 VAL 91 10.064 9.501 -2.527 696 1HG2 VAL 91 1HG2 VAL 91 12.328 10.090 -3.875 697 2HG2 VAL 91 2HG2 VAL 91 12.369 11.830 -4.161 698 3HG2 VAL 91 3HG2 VAL 91 10.891 10.919 -4.473 699 H VAL 92 H VAL 92 9.356 12.554 -4.756 700 HA VAL 92 HA VAL 92 6.776 11.256 -4.172 701 HB VAL 92 HB VAL 92 7.587 12.857 -6.609 702 1HG1 VAL 92 1HG1 VAL 92 4.889 11.956 -5.551 703 2HG1 VAL 92 2HG1 VAL 92 5.715 11.284 -6.956 704 3HG1 VAL 92 3HG1 VAL 92 5.148 12.954 -6.982 705 1HG2 VAL 92 1HG2 VAL 92 7.655 14.301 -4.658 706 2HG2 VAL 92 2HG2 VAL 92 6.122 13.653 -4.075 707 3HG2 VAL 92 3HG2 VAL 92 6.165 14.637 -5.538 708 H VAL 93 H VAL 93 6.233 9.347 -5.054 709 HA VAL 93 HA VAL 93 8.153 8.130 -6.947 710 HB VAL 93 HB VAL 93 6.267 6.706 -5.057 711 1HG1 VAL 93 1HG1 VAL 93 7.649 4.752 -5.616 712 2HG1 VAL 93 2HG1 VAL 93 8.648 5.745 -6.676 713 3HG1 VAL 93 3HG1 VAL 93 6.958 5.447 -7.081 714 1HG2 VAL 93 1HG2 VAL 93 8.232 6.299 -3.663 715 2HG2 VAL 93 2HG2 VAL 93 8.023 8.039 -3.872 716 3HG2 VAL 93 3HG2 VAL 93 9.254 7.180 -4.798 717 H TYR 94 H TYR 94 7.432 7.569 -8.908 718 HA TYR 94 HA TYR 94 4.605 7.981 -9.525 719 1HB TYR 94 2HB TYR 94 6.988 7.419 -11.307 720 2HB TYR 94 1HB TYR 94 5.349 7.732 -11.880 721 HD1 TYR 94 1HD TYR 94 4.227 9.913 -10.764 722 HD2 TYR 94 2HD TYR 94 8.446 9.229 -11.201 723 HE1 TYR 94 1HE TYR 94 4.640 12.353 -10.599 724 HE2 TYR 94 2HE TYR 94 8.858 11.669 -11.038 725 HH TYR 94 HH TYR 94 6.737 13.929 -11.546 726 HA PRO 95 HA PRO 95 3.467 3.758 -9.665 727 1HB PRO 95 2HB PRO 95 2.079 4.195 -12.233 728 2HB PRO 95 1HB PRO 95 1.409 3.770 -10.647 729 1HG PRO 95 2HG PRO 95 1.045 6.183 -11.709 730 2HG PRO 95 1HG PRO 95 1.270 5.956 -9.967 731 1HD PRO 95 2HD PRO 95 3.261 6.916 -12.013 732 2HD PRO 95 1HD PRO 95 2.952 7.528 -10.372 733 H CYS 96 H CYS 96 3.859 1.745 -10.703 734 HA CYS 96 HA CYS 96 5.061 0.256 -11.970 735 1HB CYS 96 2HB CYS 96 5.048 2.376 -14.123 736 2HB CYS 96 1HB CYS 96 5.160 0.627 -14.326 737 HG CYS 96 HG CYS 96 2.607 1.080 -12.924 738 H GLU 97 H GLU 97 6.344 2.639 -10.476 739 HA GLU 97 HA GLU 97 9.060 2.095 -11.447 740 1HB GLU 97 2HB GLU 97 7.886 4.857 -11.055 741 2HB GLU 97 1HB GLU 97 9.614 4.534 -11.206 742 1HG GLU 97 2HG GLU 97 9.157 3.420 -13.405 743 2HG GLU 97 1HG GLU 97 7.474 3.926 -13.263 744 H THR 98 H THR 98 10.638 2.191 -9.856 745 HA THR 98 HA THR 98 9.673 2.706 -7.107 746 HB THR 98 HB THR 98 11.766 0.643 -7.765 747 HG1 THR 98 1HG THR 98 9.815 -0.773 -7.394 748 1HG2 THR 98 1HG2 THR 98 11.609 1.386 -5.442 749 2HG2 THR 98 2HG2 THR 98 10.997 -0.263 -5.581 750 3HG2 THR 98 3HG2 THR 98 9.871 1.087 -5.443 751 H GLU 99 H GLU 99 10.994 3.875 -5.793 752 HA GLU 99 HA GLU 99 13.665 4.600 -6.819 753 1HB GLU 99 2HB GLU 99 11.636 6.517 -5.646 754 2HB GLU 99 1HB GLU 99 13.285 6.926 -6.121 755 1HG GLU 99 2HG GLU 99 11.191 5.795 -7.999 756 2HG GLU 99 1HG GLU 99 11.599 7.505 -7.873 757 H MET 100 H MET 100 15.137 5.378 -5.170 758 HA MET 100 HA MET 100 14.804 3.928 -2.679 759 1HB MET 100 2HB MET 100 17.067 5.648 -3.724 760 2HB MET 100 1HB MET 100 17.117 4.721 -2.224 761 1HG MET 100 2HG MET 100 16.360 2.744 -3.848 762 2HG MET 100 1HG MET 100 17.161 3.755 -5.051 763 1HE MET 100 1HE MET 100 17.835 1.040 -2.237 764 2HE MET 100 2HE MET 100 17.256 2.555 -1.549 765 3HE MET 100 3HE MET 100 18.898 2.013 -1.212 766 H PHE 101 H PHE 101 15.015 4.898 -0.589 767 HA PHE 101 HA PHE 101 13.996 7.671 -0.521 768 1HB PHE 101 2HB PHE 101 12.454 5.959 0.390 769 2HB PHE 101 1HB PHE 101 13.691 5.489 1.557 770 HD1 PHE 101 1HD PHE 101 12.790 6.167 3.640 771 HD2 PHE 101 2HD PHE 101 12.787 8.896 0.322 772 HE1 PHE 101 1HE PHE 101 12.006 7.985 5.134 773 HE2 PHE 101 2HE PHE 101 12.010 10.714 1.817 774 HZ PHE 101 HZ PHE 101 11.612 10.257 4.222 775 H ILE 102 H ILE 102 14.993 6.175 2.401 776 HA ILE 102 HA ILE 102 17.534 7.687 2.366 777 HB ILE 102 HB ILE 102 17.160 8.376 4.655 778 1HG1 ILE 102 2HG1 ILE 102 14.718 7.862 5.518 779 2HG1 ILE 102 1HG1 ILE 102 14.831 6.495 4.408 780 1HG2 ILE 102 1HG2 ILE 102 14.764 8.850 2.859 781 2HG2 ILE 102 2HG2 ILE 102 16.210 9.852 2.980 782 3HG2 ILE 102 3HG2 ILE 102 15.085 9.761 4.336 783 1HD1 ILE 102 1HD1 ILE 102 15.888 6.653 7.019 784 2HD1 ILE 102 2HD1 ILE 102 17.275 6.739 5.933 785 3HD1 ILE 102 3HD1 ILE 102 16.162 5.374 5.835 786 H GLU 103 H GLU 103 19.139 6.897 3.904 787 HA GLU 103 HA GLU 103 18.732 4.119 4.788 788 1HB GLU 103 2HB GLU 103 19.844 3.936 2.633 789 2HB GLU 103 1HB GLU 103 21.065 5.108 3.131 790 1HG GLU 103 2HG GLU 103 21.854 3.608 4.880 791 2HG GLU 103 1HG GLU 103 20.567 2.459 4.519 792 H GLY 104 H GLY 104 20.131 3.454 6.486 793 1HA GLY 104 2HA GLY 104 22.147 4.142 7.842 794 2HA GLY 104 1HA GLY 104 21.362 5.715 7.948 795 H ARG 105 H ARG 105 21.482 5.401 10.281 796 HA ARG 105 HA ARG 105 19.709 3.361 11.407 797 1HB ARG 105 2HB ARG 105 21.961 3.827 12.413 798 2HB ARG 105 1HB ARG 105 21.374 5.430 12.856 799 1HG ARG 105 2HG ARG 105 19.527 4.374 14.141 800 2HG ARG 105 1HG ARG 105 20.186 2.786 13.748 801 1HD ARG 105 2HD ARG 105 22.329 3.451 14.840 802 2HD ARG 105 1HD ARG 105 21.581 4.973 15.316 803 HE ARG 105 HE ARG 105 20.473 3.831 17.003 804 1HH1 ARG 105 1HH2 ARG 105 21.663 1.641 14.602 805 2HH1 ARG 105 2HH2 ARG 105 21.244 0.217 15.494 806 1HH2 ARG 105 1HH1 ARG 105 19.920 1.967 18.179 807 2HH2 ARG 105 2HH1 ARG 105 20.258 0.401 17.519 808 H VAL 106 H VAL 106 17.764 3.783 12.330 809 HA VAL 106 HA VAL 106 16.894 6.608 12.434 810 HB VAL 106 HB VAL 106 15.040 4.334 11.754 811 1HG1 VAL 106 1HG1 VAL 106 13.603 6.082 10.987 812 2HG1 VAL 106 2HG1 VAL 106 14.904 7.271 11.039 813 3HG1 VAL 106 3HG1 VAL 106 14.234 6.630 12.540 814 1HG2 VAL 106 1HG2 VAL 106 15.338 5.049 9.367 815 2HG2 VAL 106 2HG2 VAL 106 16.781 4.299 10.049 816 3HG2 VAL 106 3HG2 VAL 106 16.696 6.052 9.879 817 H ASN 107 H ASN 107 15.854 7.240 14.243 818 HA ASN 107 HA ASN 107 14.902 5.200 16.136 819 1HB ASN 107 2HB ASN 107 16.108 6.068 17.965 820 2HB ASN 107 1HB ASN 107 17.294 6.000 16.662 821 1HD2 ASN 107 1HD2 ASN 107 18.235 7.974 15.981 822 2HD2 ASN 107 2HD2 ASN 107 17.789 9.489 16.602 823 H GLY 108 H GLY 108 12.880 5.680 16.693 824 1HA GLY 108 2HA GLY 108 10.907 6.871 16.886 825 2HA GLY 108 1HA GLY 108 11.912 7.993 17.801 826 H PHE 109 H PHE 109 10.266 7.406 14.822 827 HA PHE 109 HA PHE 109 10.934 10.140 13.945 828 1HB PHE 109 2HB PHE 109 11.099 9.328 11.607 829 2HB PHE 109 1HB PHE 109 12.356 8.646 12.641 830 HD1 PHE 109 1HD PHE 109 9.412 7.940 10.615 831 HD2 PHE 109 2HD PHE 109 12.129 6.311 13.515 832 HE1 PHE 109 1HE PHE 109 8.611 5.655 10.081 833 HE2 PHE 109 2HE PHE 109 11.333 4.025 12.976 834 HZ PHE 109 HZ PHE 109 9.571 3.697 11.261 835 H LYS 110 H LYS 110 9.356 11.100 12.553 836 HA LYS 110 HA LYS 110 6.675 9.905 12.865 837 1HB LYS 110 2HB LYS 110 7.023 12.148 13.877 838 2HB LYS 110 1HB LYS 110 7.425 12.781 12.281 839 1HG LYS 110 2HG LYS 110 5.222 12.279 11.444 840 2HG LYS 110 1HG LYS 110 4.811 11.384 12.907 841 1HD LYS 110 2HD LYS 110 3.799 13.596 13.029 842 2HD LYS 110 1HD LYS 110 5.097 13.496 14.220 843 1HE LYS 110 2HE LYS 110 6.553 14.822 12.928 844 2HE LYS 110 1HE LYS 110 5.629 14.557 11.450 845 1HZ LYS 110 1HZ LYS 110 4.968 16.280 13.753 846 2HZ LYS 110 2HZ LYS 110 3.758 15.739 12.691 847 3HZ LYS 110 3HZ LYS 110 5.042 16.688 12.108 848 H SER 111 H SER 111 5.683 9.140 11.116 849 HA SER 111 HA SER 111 6.761 9.876 8.466 850 1HB SER 111 2HB SER 111 5.175 7.420 9.242 851 2HB SER 111 1HB SER 111 5.919 7.738 7.677 852 HG SER 111 HG SER 111 7.254 6.426 8.969 853 H LYS 112 H LYS 112 5.462 10.724 6.939 854 HA LYS 112 HA LYS 112 2.554 10.769 7.404 855 1HB LYS 112 2HB LYS 112 3.546 12.924 8.188 856 2HB LYS 112 1HB LYS 112 4.165 13.187 6.558 857 1HG LYS 112 2HG LYS 112 1.857 13.068 5.670 858 2HG LYS 112 1HG LYS 112 1.247 12.843 7.309 859 1HD LYS 112 2HD LYS 112 2.304 15.031 7.941 860 2HD LYS 112 1HD LYS 112 2.721 15.266 6.243 861 1HE LYS 112 2HE LYS 112 0.650 16.430 6.622 862 2HE LYS 112 1HE LYS 112 0.263 14.977 5.700 863 1HZ LYS 112 1HZ LYS 112 -0.560 13.913 7.588 864 2HZ LYS 112 2HZ LYS 112 -1.166 15.495 7.714 865 3HZ LYS 112 3HZ LYS 112 0.166 15.014 8.654 866 H MET 113 H MET 113 1.608 9.885 5.682 867 HA MET 113 HA MET 113 2.822 10.352 3.024 868 1HB MET 113 2HB MET 113 1.585 7.828 4.133 869 2HB MET 113 1HB MET 113 1.920 8.075 2.419 870 1HG MET 113 2HG MET 113 4.312 8.538 3.014 871 2HG MET 113 1HG MET 113 3.936 8.105 4.681 872 1HE MET 113 1HE MET 113 2.035 5.584 4.637 873 2HE MET 113 2HE MET 113 3.430 6.081 5.591 874 3HE MET 113 3HE MET 113 3.402 4.482 4.850 875 H ASP 114 H ASP 114 1.195 9.853 1.236 876 HA ASP 114 HA ASP 114 -1.598 10.150 1.794 877 1HB ASP 114 2HB ASP 114 -0.618 12.486 2.183 878 2HB ASP 114 1HB ASP 114 -0.316 12.525 0.446 879 H ALA 115 H ALA 115 -2.800 10.634 -0.345 880 HA ALA 115 HA ALA 115 -1.313 9.407 -2.590 881 1HB ALA 115 1HB ALA 115 -3.349 8.240 -3.243 882 2HB ALA 115 2HB ALA 115 -4.230 8.979 -1.907 883 3HB ALA 115 3HB ALA 115 -2.937 7.826 -1.580 884 H LEU 116 H LEU 116 -0.867 11.471 -3.461 885 HA LEU 116 HA LEU 116 -3.085 13.233 -4.132 886 1HB LEU 116 2HB LEU 116 -0.233 13.556 -5.049 887 2HB LEU 116 1HB LEU 116 -1.451 14.803 -4.777 888 HG LEU 116 HG LEU 116 -0.079 13.113 -2.668 889 1HD1 LEU 116 1HD1 LEU 116 0.920 15.149 -1.949 890 2HD1 LEU 116 2HD1 LEU 116 -0.176 16.123 -2.928 891 3HD1 LEU 116 3HD1 LEU 116 1.081 15.160 -3.705 892 1HD2 LEU 116 1HD2 LEU 116 -2.330 13.345 -1.926 893 2HD2 LEU 116 2HD2 LEU 116 -2.440 14.998 -2.530 894 3HD2 LEU 116 3HD2 LEU 116 -1.449 14.640 -1.117 895 HA PRO 117 HA PRO 117 -3.720 11.644 -8.189 896 1HB PRO 117 2HB PRO 117 -4.616 13.888 -9.464 897 2HB PRO 117 1HB PRO 117 -5.593 12.982 -8.293 898 1HG PRO 117 2HG PRO 117 -4.052 15.504 -7.926 899 2HG PRO 117 1HG PRO 117 -5.643 15.049 -7.293 900 1HD PRO 117 2HD PRO 117 -3.362 14.962 -5.782 901 2HD PRO 117 1HD PRO 117 -4.748 13.883 -5.506 902 H LEU 118 H LEU 118 -2.766 11.536 -10.244 903 HA LEU 118 HA LEU 118 -0.116 12.601 -10.453 904 1HB LEU 118 2HB LEU 118 -1.821 11.176 -12.511 905 2HB LEU 118 1HB LEU 118 -0.090 11.486 -12.652 906 HG LEU 118 HG LEU 118 -1.164 10.055 -10.236 907 1HD1 LEU 118 1HD1 LEU 118 -0.813 7.915 -11.408 908 2HD1 LEU 118 2HD1 LEU 118 -0.446 8.786 -12.897 909 3HD1 LEU 118 3HD1 LEU 118 -2.066 8.864 -12.206 910 1HD2 LEU 118 1HD2 LEU 118 1.436 9.721 -11.752 911 2HD2 LEU 118 2HD2 LEU 118 1.072 9.201 -10.107 912 3HD2 LEU 118 3HD2 LEU 118 1.229 10.919 -10.475 913 H SER 119 H SER 119 0.407 14.578 -11.104 914 HA SER 119 HA SER 119 -1.540 16.230 -12.504 915 1HB SER 119 2HB SER 119 1.234 16.818 -11.451 916 2HB SER 119 1HB SER 119 0.190 18.008 -12.223 917 HG SER 119 HG SER 119 -0.020 16.755 -9.736 918 H GLU 120 H GLU 120 -0.277 17.795 -14.173 919 HA GLU 120 HA GLU 120 0.120 16.267 -16.496 920 1HB GLU 120 2HB GLU 120 0.828 18.343 -17.542 921 2HB GLU 120 1HB GLU 120 -0.529 18.673 -16.465 922 1HG GLU 120 2HG GLU 120 1.142 19.292 -14.681 923 2HG GLU 120 1HG GLU 120 2.406 19.158 -15.902 924 H GLU 121 H GLU 121 2.306 17.244 -13.981 925 HA GLU 121 HA GLU 121 4.763 17.064 -15.321 926 1HB GLU 121 2HB GLU 121 4.069 16.410 -12.448 927 2HB GLU 121 1HB GLU 121 5.711 16.583 -13.068 928 1HG GLU 121 2HG GLU 121 5.167 18.897 -13.798 929 2HG GLU 121 1HG GLU 121 3.561 18.720 -13.092 930 H TYR 122 H TYR 122 2.784 14.571 -13.757 931 HA TYR 122 HA TYR 122 4.626 12.440 -14.123 932 1HB TYR 122 2HB TYR 122 2.927 12.073 -12.523 933 2HB TYR 122 1HB TYR 122 1.652 12.553 -13.643 934 HD1 TYR 122 1HD TYR 122 4.370 10.006 -13.228 935 HD2 TYR 122 2HD TYR 122 0.509 10.920 -14.873 936 HE1 TYR 122 1HE TYR 122 4.144 7.661 -14.001 937 HE2 TYR 122 2HE TYR 122 0.280 8.572 -15.639 938 HH TYR 122 HH TYR 122 1.217 6.332 -15.002 939 H ARG 123 H ARG 123 1.936 13.684 -16.061 940 HA ARG 123 HA ARG 123 1.823 11.693 -18.015 941 1HB ARG 123 2HB ARG 123 1.388 14.672 -18.348 942 2HB ARG 123 1HB ARG 123 0.848 13.424 -19.472 943 1HG ARG 123 2HG ARG 123 -0.432 12.384 -17.550 944 2HG ARG 123 1HG ARG 123 -0.048 13.825 -16.607 945 1HD ARG 123 2HD ARG 123 -2.226 14.157 -17.594 946 2HD ARG 123 1HD ARG 123 -1.089 15.208 -18.434 947 HE ARG 123 HE ARG 123 -1.230 12.760 -19.822 948 1HH1 ARG 123 1HH2 ARG 123 -3.160 15.515 -19.015 949 2HH1 ARG 123 2HH2 ARG 123 -4.134 15.425 -20.444 950 1HH2 ARG 123 1HH1 ARG 123 -2.498 12.636 -21.700 951 2HH2 ARG 123 2HH1 ARG 123 -3.759 13.795 -21.965 952 H GLN 124 H GLN 124 3.928 14.526 -17.755 953 HA GLN 124 HA GLN 124 5.205 14.150 -20.283 954 1HB GLN 124 2HB GLN 124 5.137 16.305 -18.964 955 2HB GLN 124 1HB GLN 124 6.326 15.590 -17.873 956 1HG GLN 124 2HG GLN 124 7.572 16.844 -19.488 957 2HG GLN 124 1HG GLN 124 7.765 15.145 -19.923 958 1HE2 GLN 124 1HE2 GLN 124 7.512 14.807 -22.127 959 2HE2 GLN 124 2HE2 GLN 124 6.491 15.705 -23.142 960 H HIS 125 H HIS 125 5.843 13.067 -16.993 961 HA HIS 125 HA HIS 125 8.457 12.099 -17.349 962 1HB HIS 125 2HB HIS 125 7.723 12.199 -15.123 963 2HB HIS 125 1HB HIS 125 6.211 11.366 -15.486 964 HD1 HIS 125 1HD HIS 125 9.765 10.771 -14.600 965 HD2 HIS 125 2HD HIS 125 6.508 8.509 -15.887 966 HE1 HIS 125 1HE HIS 125 10.373 8.346 -14.195 967 HE2 HIS 125 2HE HIS 125 8.403 6.953 -14.987 968 H GLN 126 H GLN 126 5.366 10.831 -18.321 969 HA GLN 126 HA GLN 126 6.073 8.123 -18.698 970 1HB GLN 126 2HB GLN 126 4.030 9.840 -20.128 971 2HB GLN 126 1HB GLN 126 4.139 8.085 -20.272 972 1HG GLN 126 2HG GLN 126 3.779 7.846 -17.854 973 2HG GLN 126 1HG GLN 126 3.716 9.598 -17.679 974 1HE2 GLN 126 1HE2 GLN 126 1.516 7.775 -17.013 975 2HE2 GLN 126 2HE2 GLN 126 0.225 8.170 -18.043 976 H ALA 127 H ALA 127 6.492 10.993 -20.688 977 HA ALA 127 HA ALA 127 7.218 9.635 -23.086 978 1HB ALA 127 1HB ALA 127 7.937 12.433 -22.174 979 2HB ALA 127 2HB ALA 127 6.469 11.991 -23.046 980 3HB ALA 127 3HB ALA 127 8.043 11.820 -23.824 981 H GLU 128 H GLU 128 9.257 11.492 -20.813 982 HA GLU 128 HA GLU 128 11.712 10.566 -21.850 983 1HB GLU 128 2HB GLU 128 12.727 11.616 -19.985 984 2HB GLU 128 1HB GLU 128 11.285 12.577 -20.316 985 1HG GLU 128 2HG GLU 128 11.082 12.268 -18.022 986 2HG GLU 128 1HG GLU 128 10.150 10.898 -18.627 987 H LYS 129 H LYS 129 9.362 8.996 -19.968 988 HA LYS 129 HA LYS 129 10.706 7.348 -18.235 989 1HB LYS 129 2HB LYS 129 8.215 7.399 -18.691 990 2HB LYS 129 1HB LYS 129 8.528 6.360 -20.082 991 1HG LYS 129 2HG LYS 129 9.485 4.644 -18.657 992 2HG LYS 129 1HG LYS 129 9.367 5.698 -17.247 993 1HD LYS 129 2HD LYS 129 7.495 4.158 -17.196 994 2HD LYS 129 1HD LYS 129 6.877 5.763 -17.586 995 1HE LYS 129 2HE LYS 129 6.039 3.778 -19.021 996 2HE LYS 129 1HE LYS 129 6.585 5.226 -19.869 997 1HZ LYS 129 1HZ LYS 129 8.584 3.186 -19.267 998 2HZ LYS 129 2HZ LYS 129 8.445 4.206 -20.618 999 3HZ LYS 129 3HZ LYS 129 7.459 2.828 -20.484 1000 H ASP 130 H ASP 130 10.327 6.919 -21.740 1001 HA ASP 130 HA ASP 130 12.192 4.642 -21.647 1002 1HB ASP 130 2HB ASP 130 11.467 4.209 -23.949 1003 2HB ASP 130 1HB ASP 130 10.079 4.309 -22.868 1004 H LYS 131 H LYS 131 13.726 4.547 -23.580 1005 HA LYS 131 HA LYS 131 15.617 5.396 -24.573 1006 1HB LYS 131 2HB LYS 131 13.763 7.757 -24.973 1007 2HB LYS 131 1HB LYS 131 15.315 7.545 -25.784 1008 1HG LYS 131 2HG LYS 131 14.492 5.377 -26.708 1009 2HG LYS 131 1HG LYS 131 12.917 5.701 -25.982 1010 1HD LYS 131 2HD LYS 131 12.809 7.834 -27.282 1011 2HD LYS 131 1HD LYS 131 14.315 7.382 -28.082 1012 1HE LYS 131 2HE LYS 131 13.284 5.391 -29.015 1013 2HE LYS 131 1HE LYS 131 11.803 5.688 -28.106 1014 1HZ LYS 131 1HZ LYS 131 11.652 7.848 -29.310 1015 2HZ LYS 131 2HZ LYS 131 11.466 6.479 -30.298 1016 3HZ LYS 131 3HZ LYS 131 12.933 7.337 -30.296 Start of MODEL 16 1 H MET 1 1H MET 1 -0.733 -14.651 24.791 2 HA MET 1 HA MET 1 0.572 -15.199 26.711 3 1HB MET 1 2HB MET 1 1.212 -17.707 25.130 4 2HB MET 1 1HB MET 1 2.026 -17.229 26.620 5 1HG MET 1 2HG MET 1 -0.219 -17.203 27.756 6 2HG MET 1 1HG MET 1 -0.915 -17.876 26.281 7 1HE MET 1 1HE MET 1 1.731 -17.967 28.788 8 2HE MET 1 2HE MET 1 2.204 -19.642 29.059 9 3HE MET 1 3HE MET 1 0.703 -19.034 29.753 10 H GLY 2 H GLY 2 0.741 -14.557 23.520 11 1HA GLY 2 2HA GLY 2 2.216 -13.201 22.352 12 2HA GLY 2 1HA GLY 2 3.283 -13.215 23.751 13 H CYS 3 H CYS 3 2.064 -16.126 22.219 14 HA CYS 3 HA CYS 3 4.556 -17.377 22.024 15 1HB CYS 3 2HB CYS 3 2.169 -18.369 21.822 16 2HB CYS 3 1HB CYS 3 2.316 -17.977 20.108 17 HG CYS 3 HG CYS 3 3.984 -19.807 19.812 18 H GLY 4 H GLY 4 2.785 -15.407 19.682 19 1HA GLY 4 2HA GLY 4 4.503 -14.043 18.322 20 2HA GLY 4 1HA GLY 4 5.042 -15.635 17.795 21 H ALA 5 H ALA 5 2.251 -13.454 17.851 22 HA ALA 5 HA ALA 5 0.613 -14.963 16.098 23 1HB ALA 5 1HB ALA 5 0.596 -11.961 16.454 24 2HB ALA 5 2HB ALA 5 -0.153 -13.082 17.590 25 3HB ALA 5 3HB ALA 5 -0.741 -12.985 15.930 26 H SER 6 H SER 6 3.288 -12.807 15.584 27 HA SER 6 HA SER 6 2.720 -12.375 12.776 28 1HB SER 6 2HB SER 6 5.148 -11.756 14.469 29 2HB SER 6 1HB SER 6 4.975 -11.302 12.775 30 HG SER 6 HG SER 6 3.078 -10.628 14.771 31 H SER 7 H SER 7 3.390 -15.102 14.212 32 HA SER 7 HA SER 7 5.752 -16.153 13.179 33 1HB SER 7 2HB SER 7 4.376 -17.359 14.800 34 2HB SER 7 1HB SER 7 3.097 -17.545 13.604 35 HG SER 7 HG SER 7 4.799 -18.602 12.301 36 H GLU 8 H GLU 8 2.626 -15.666 11.643 37 HA GLU 8 HA GLU 8 2.965 -17.225 9.347 38 1HB GLU 8 2HB GLU 8 1.517 -14.586 9.675 39 2HB GLU 8 1HB GLU 8 1.342 -15.668 8.293 40 1HG GLU 8 2HG GLU 8 0.610 -17.477 9.840 41 2HG GLU 8 1HG GLU 8 0.697 -16.333 11.178 42 H ASN 9 H ASN 9 4.229 -17.058 7.603 43 HA ASN 9 HA ASN 9 6.248 -15.039 7.454 44 1HB ASN 9 2HB ASN 9 5.398 -17.164 5.475 45 2HB ASN 9 1HB ASN 9 6.827 -16.148 5.298 46 1HD2 ASN 9 1HD2 ASN 9 7.034 -19.002 5.535 47 2HD2 ASN 9 2HD2 ASN 9 7.792 -19.355 7.011 48 H SER 10 H SER 10 3.190 -15.627 5.797 49 HA SER 10 HA SER 10 3.483 -13.661 3.780 50 1HB SER 10 2HB SER 10 0.959 -14.740 5.053 51 2HB SER 10 1HB SER 10 1.040 -13.839 3.543 52 HG SER 10 HG SER 10 1.157 -16.355 3.695 53 H SER 11 H SER 11 2.703 -11.546 3.654 54 HA SER 11 HA SER 11 1.270 -10.172 5.624 55 1HB SER 11 2HB SER 11 2.974 -10.355 7.213 56 2HB SER 11 1HB SER 11 4.249 -10.211 6.007 57 HG SER 11 HG SER 11 3.754 -8.301 7.367 58 H VAL 12 H VAL 12 2.300 -10.458 2.678 59 HA VAL 12 HA VAL 12 1.987 -7.607 2.079 60 HB VAL 12 HB VAL 12 4.193 -9.163 0.742 61 1HG1 VAL 12 1HG1 VAL 12 3.766 -6.193 1.175 62 2HG1 VAL 12 2HG1 VAL 12 3.256 -7.057 -0.275 63 3HG1 VAL 12 3HG1 VAL 12 4.969 -6.950 0.131 64 1HG2 VAL 12 1HG2 VAL 12 5.746 -7.974 2.308 65 2HG2 VAL 12 2HG2 VAL 12 4.732 -9.167 3.120 66 3HG2 VAL 12 3HG2 VAL 12 4.345 -7.451 3.243 67 H THR 13 H THR 13 0.873 -7.237 0.220 68 HA THR 13 HA THR 13 0.415 -9.499 -1.611 69 HB THR 13 HB THR 13 -1.833 -7.707 -0.694 70 HG1 THR 13 1HG THR 13 -0.587 -9.591 0.692 71 1HG2 THR 13 1HG2 THR 13 -1.962 -8.986 -2.875 72 2HG2 THR 13 2HG2 THR 13 -3.229 -9.379 -1.713 73 3HG2 THR 13 3HG2 THR 13 -1.860 -10.470 -1.928 74 H TYR 14 H TYR 14 0.429 -8.943 -3.714 75 HA TYR 14 HA TYR 14 0.439 -6.055 -4.365 76 1HB TYR 14 2HB TYR 14 1.923 -8.315 -5.731 77 2HB TYR 14 1HB TYR 14 1.915 -6.634 -6.262 78 HD1 TYR 14 1HD TYR 14 3.368 -9.044 -3.996 79 HD2 TYR 14 2HD TYR 14 2.789 -4.844 -4.682 80 HE1 TYR 14 1HE TYR 14 5.204 -8.532 -2.410 81 HE2 TYR 14 2HE TYR 14 4.625 -4.331 -3.095 82 HH TYR 14 HH TYR 14 5.847 -5.284 -1.331 83 H VAL 15 H VAL 15 -0.332 -5.531 -6.552 84 HA VAL 15 HA VAL 15 -2.169 -7.509 -7.713 85 HB VAL 15 HB VAL 15 -3.832 -6.467 -6.540 86 1HG1 VAL 15 1HG1 VAL 15 -3.691 -4.072 -5.822 87 2HG1 VAL 15 2HG1 VAL 15 -2.108 -3.973 -6.592 88 3HG1 VAL 15 3HG1 VAL 15 -2.355 -5.051 -5.219 89 1HG2 VAL 15 1HG2 VAL 15 -4.013 -5.901 -9.043 90 2HG2 VAL 15 2HG2 VAL 15 -3.462 -4.285 -8.601 91 3HG2 VAL 15 3HG2 VAL 15 -4.972 -4.913 -7.940 92 H ASN 16 H ASN 16 -1.147 -4.098 -8.008 93 HA ASN 16 HA ASN 16 -1.460 -4.064 -10.848 94 1HB ASN 16 2HB ASN 16 0.025 -2.195 -8.988 95 2HB ASN 16 1HB ASN 16 -0.281 -1.879 -10.695 96 1HD2 ASN 16 1HD2 ASN 16 -1.417 -0.903 -7.825 97 2HD2 ASN 16 2HD2 ASN 16 -3.071 -0.750 -8.169 98 H GLY 17 H GLY 17 1.098 -4.977 -8.693 99 1HA GLY 17 2HA GLY 17 2.626 -6.434 -10.390 100 2HA GLY 17 1HA GLY 17 3.201 -4.794 -10.674 101 H ARG 18 H ARG 18 5.008 -6.551 -9.739 102 HA ARG 18 HA ARG 18 5.163 -6.175 -6.825 103 1HB ARG 18 2HB ARG 18 7.142 -7.769 -8.418 104 2HB ARG 18 1HB ARG 18 6.611 -7.994 -6.750 105 1HG ARG 18 2HG ARG 18 4.937 -8.497 -9.230 106 2HG ARG 18 1HG ARG 18 5.644 -9.735 -8.191 107 1HD ARG 18 2HD ARG 18 4.345 -8.472 -6.286 108 2HD ARG 18 1HD ARG 18 3.373 -7.856 -7.620 109 HE ARG 18 HE ARG 18 2.466 -9.984 -7.880 110 1HH1 ARG 18 1HH2 ARG 18 5.284 -10.048 -5.871 111 2HH1 ARG 18 2HH2 ARG 18 5.071 -11.698 -5.388 112 1HH2 ARG 18 1HH1 ARG 18 2.181 -12.148 -7.249 113 2HH2 ARG 18 2HH1 ARG 18 3.314 -12.886 -6.168 114 HA PRO 19 HA PRO 19 7.864 -2.699 -7.160 115 1HB PRO 19 2HB PRO 19 9.191 -4.038 -4.838 116 2HB PRO 19 1HB PRO 19 8.649 -2.358 -5.012 117 1HG PRO 19 2HG PRO 19 7.272 -4.133 -3.573 118 2HG PRO 19 1HG PRO 19 6.472 -2.863 -4.513 119 1HD PRO 19 2HD PRO 19 6.598 -5.785 -5.039 120 2HD PRO 19 1HD PRO 19 5.380 -4.597 -5.551 121 H THR 20 H THR 20 9.906 -2.235 -7.975 122 HA THR 20 HA THR 20 11.375 -4.430 -9.142 123 HB THR 20 HB THR 20 12.727 -2.718 -10.181 124 HG1 THR 20 1HG THR 20 12.771 -0.687 -9.451 125 1HG2 THR 20 1HG2 THR 20 10.966 -1.368 -11.260 126 2HG2 THR 20 2HG2 THR 20 9.832 -1.836 -9.993 127 3HG2 THR 20 3HG2 THR 20 10.468 -3.053 -11.102 128 H PHE 21 H PHE 21 11.371 -2.983 -6.130 129 HA PHE 21 HA PHE 21 14.161 -3.838 -5.632 130 1HB PHE 21 2HB PHE 21 13.873 -1.375 -5.471 131 2HB PHE 21 1HB PHE 21 12.655 -1.624 -4.220 132 HD1 PHE 21 1HD PHE 21 13.280 -1.965 -1.968 133 HD2 PHE 21 2HD PHE 21 16.222 -2.322 -5.078 134 HE1 PHE 21 1HE PHE 21 15.068 -2.136 -0.257 135 HE2 PHE 21 2HE PHE 21 18.009 -2.493 -3.367 136 HZ PHE 21 HZ PHE 21 17.432 -2.401 -0.957 137 H VAL 22 H VAL 22 14.494 -5.227 -3.976 138 HA VAL 22 HA VAL 22 12.194 -5.853 -2.226 139 HB VAL 22 HB VAL 22 14.117 -8.000 -3.022 140 1HG1 VAL 22 1HG1 VAL 22 12.392 -8.361 -1.275 141 2HG1 VAL 22 2HG1 VAL 22 12.121 -9.390 -2.681 142 3HG1 VAL 22 3HG1 VAL 22 11.139 -7.944 -2.444 143 1HG2 VAL 22 1HG2 VAL 22 13.526 -7.097 -5.180 144 2HG2 VAL 22 2HG2 VAL 22 11.837 -6.925 -4.704 145 3HG2 VAL 22 3HG2 VAL 22 12.530 -8.530 -4.928 146 H GLY 23 H GLY 23 12.648 -5.755 -0.120 147 1HA GLY 23 2HA GLY 23 15.492 -5.724 0.694 148 2HA GLY 23 1HA GLY 23 14.205 -4.862 1.532 149 H GLU 24 H GLU 24 13.353 -5.812 3.276 150 HA GLU 24 HA GLU 24 13.270 -8.734 3.459 151 1HB GLU 24 2HB GLU 24 14.581 -7.006 5.573 152 2HB GLU 24 1HB GLU 24 14.326 -8.750 5.666 153 1HG GLU 24 2HG GLU 24 15.690 -8.972 3.551 154 2HG GLU 24 1HG GLU 24 16.082 -7.260 3.699 155 H GLU 25 H GLU 25 12.756 -5.802 5.438 156 HA GLU 25 HA GLU 25 10.256 -6.954 6.449 157 1HB GLU 25 2HB GLU 25 11.923 -5.894 8.005 158 2HB GLU 25 1HB GLU 25 11.579 -4.348 7.227 159 1HG GLU 25 2HG GLU 25 10.183 -4.504 9.192 160 2HG GLU 25 1HG GLU 25 9.146 -4.696 7.778 161 H VAL 26 H VAL 26 8.308 -6.342 5.744 162 HA VAL 26 HA VAL 26 8.145 -3.930 4.038 163 HB VAL 26 HB VAL 26 6.308 -6.314 3.838 164 1HG1 VAL 26 1HG1 VAL 26 5.936 -5.368 1.575 165 2HG1 VAL 26 2HG1 VAL 26 7.050 -4.054 1.953 166 3HG1 VAL 26 3HG1 VAL 26 5.533 -4.207 2.840 167 1HG2 VAL 26 1HG2 VAL 26 8.963 -5.789 2.478 168 2HG2 VAL 26 2HG2 VAL 26 7.756 -6.889 1.813 169 3HG2 VAL 26 3HG2 VAL 26 8.481 -7.221 3.387 170 H THR 27 H THR 27 6.576 -2.461 4.470 171 HA THR 27 HA THR 27 4.466 -3.130 6.394 172 HB THR 27 HB THR 27 5.791 -0.530 6.880 173 HG1 THR 27 1HG THR 27 7.639 -1.336 7.412 174 1HG2 THR 27 1HG2 THR 27 5.024 -2.699 8.831 175 2HG2 THR 27 2HG2 THR 27 3.819 -1.622 8.125 176 3HG2 THR 27 3HG2 THR 27 5.124 -0.961 9.110 177 H LYS 28 H LYS 28 2.570 -2.185 5.895 178 HA LYS 28 HA LYS 28 2.493 -0.455 3.546 179 1HB LYS 28 2HB LYS 28 -0.103 -0.744 4.260 180 2HB LYS 28 1HB LYS 28 0.764 -1.907 3.258 181 1HG LYS 28 2HG LYS 28 -0.373 -3.075 5.087 182 2HG LYS 28 1HG LYS 28 1.375 -3.182 5.302 183 1HD LYS 28 2HD LYS 28 1.384 -1.594 7.040 184 2HD LYS 28 1HD LYS 28 -0.196 -0.955 6.587 185 1HE LYS 28 2HE LYS 28 0.289 -3.738 7.689 186 2HE LYS 28 1HE LYS 28 -0.304 -2.373 8.633 187 1HZ LYS 28 1HZ LYS 28 -2.001 -2.312 6.603 188 2HZ LYS 28 2HZ LYS 28 -2.283 -3.217 8.014 189 3HZ LYS 28 3HZ LYS 28 -1.668 -3.975 6.624 190 H GLY 29 H GLY 29 1.887 1.654 3.535 191 1HA GLY 29 2HA GLY 29 1.993 3.106 6.019 192 2HA GLY 29 1HA GLY 29 1.747 3.792 4.416 193 H PHE 30 H PHE 30 -0.449 3.360 3.437 194 HA PHE 30 HA PHE 30 -2.478 4.184 5.295 195 1HB PHE 30 2HB PHE 30 -2.887 3.291 2.439 196 2HB PHE 30 1HB PHE 30 -3.904 4.375 3.390 197 HD1 PHE 30 1HD PHE 30 -2.916 6.598 4.173 198 HD2 PHE 30 2HD PHE 30 -1.052 4.123 1.197 199 HE1 PHE 30 1HE PHE 30 -1.572 8.535 3.404 200 HE2 PHE 30 2HE PHE 30 0.293 6.060 0.428 201 HZ PHE 30 HZ PHE 30 0.033 8.266 1.532 202 H GLU 31 H GLU 31 -4.067 3.013 6.226 203 HA GLU 31 HA GLU 31 -3.921 0.100 5.954 204 1HB GLU 31 2HB GLU 31 -3.951 1.314 8.203 205 2HB GLU 31 1HB GLU 31 -5.651 1.653 7.876 206 1HG GLU 31 2HG GLU 31 -5.593 -0.374 9.160 207 2HG GLU 31 1HG GLU 31 -5.966 -0.835 7.501 208 H LYS 32 H LYS 32 -4.894 0.939 3.660 209 HA LYS 32 HA LYS 32 -7.724 0.182 3.794 210 1HB LYS 32 2HB LYS 32 -7.555 2.707 3.778 211 2HB LYS 32 1HB LYS 32 -6.821 2.571 2.179 212 1HG LYS 32 2HG LYS 32 -9.115 2.878 1.715 213 2HG LYS 32 1HG LYS 32 -8.888 1.134 1.574 214 1HD LYS 32 2HD LYS 32 -9.849 0.729 3.711 215 2HD LYS 32 1HD LYS 32 -9.734 2.428 4.170 216 1HE LYS 32 2HE LYS 32 -11.480 3.058 2.682 217 2HE LYS 32 1HE LYS 32 -11.410 1.517 1.827 218 1HZ LYS 32 1HZ LYS 32 -13.184 2.034 3.717 219 2HZ LYS 32 2HZ LYS 32 -11.942 1.395 4.685 220 3HZ LYS 32 3HZ LYS 32 -12.594 0.472 3.417 221 H ASP 33 H ASP 33 -8.457 -0.898 1.980 222 HA ASP 33 HA ASP 33 -8.330 -2.152 0.060 223 1HB ASP 33 2HB ASP 33 -7.722 0.165 -0.855 224 2HB ASP 33 1HB ASP 33 -6.047 -0.381 -0.803 225 H ASN 34 H ASN 34 -5.597 -2.268 -1.366 226 HA ASN 34 HA ASN 34 -4.653 -4.592 0.112 227 1HB ASN 34 2HB ASN 34 -3.768 -3.395 -2.523 228 2HB ASN 34 1HB ASN 34 -3.161 -4.904 -1.845 229 1HD2 ASN 34 1HD2 ASN 34 -4.552 -4.820 -4.364 230 2HD2 ASN 34 2HD2 ASN 34 -6.024 -5.645 -4.175 231 H GLY 35 H GLY 35 -4.212 -1.505 0.688 232 1HA GLY 35 2HA GLY 35 -2.548 -0.774 2.264 233 2HA GLY 35 1HA GLY 35 -1.397 -1.864 1.497 234 H LEU 36 H LEU 36 -2.463 -0.970 -1.194 235 HA LEU 36 HA LEU 36 -1.898 0.555 -2.815 236 1HB LEU 36 2HB LEU 36 -1.783 2.616 -0.612 237 2HB LEU 36 1HB LEU 36 -2.180 2.859 -2.314 238 HG LEU 36 HG LEU 36 -3.830 1.349 -0.268 239 1HD1 LEU 36 1HD1 LEU 36 -4.006 3.803 -0.140 240 2HD1 LEU 36 2HD1 LEU 36 -5.499 3.107 -0.773 241 3HD1 LEU 36 3HD1 LEU 36 -4.350 3.875 -1.868 242 1HD2 LEU 36 1HD2 LEU 36 -5.461 1.305 -2.291 243 2HD2 LEU 36 2HD2 LEU 36 -4.137 0.140 -2.274 244 3HD2 LEU 36 3HD2 LEU 36 -4.022 1.591 -3.270 245 H LEU 37 H LEU 37 -0.169 2.026 -0.078 246 HA LEU 37 HA LEU 37 2.316 1.825 -1.642 247 1HB LEU 37 2HB LEU 37 1.707 4.074 -0.900 248 2HB LEU 37 1HB LEU 37 1.634 3.519 0.773 249 HG LEU 37 HG LEU 37 4.022 2.910 0.683 250 1HD1 LEU 37 1HD1 LEU 37 3.632 3.701 -2.180 251 2HD1 LEU 37 2HD1 LEU 37 4.556 2.358 -1.507 252 3HD1 LEU 37 3HD1 LEU 37 5.202 3.998 -1.432 253 1HD2 LEU 37 1HD2 LEU 37 3.262 5.724 -0.133 254 2HD2 LEU 37 2HD2 LEU 37 4.910 5.287 0.318 255 3HD2 LEU 37 3HD2 LEU 37 3.603 5.120 1.490 256 H PHE 38 H PHE 38 3.938 0.531 -1.032 257 HA PHE 38 HA PHE 38 3.744 -0.776 1.613 258 1HB PHE 38 2HB PHE 38 5.092 -1.790 -0.901 259 2HB PHE 38 1HB PHE 38 4.960 -2.654 0.631 260 HD1 PHE 38 1HD PHE 38 3.299 -1.775 -2.466 261 HD2 PHE 38 2HD PHE 38 2.666 -3.254 1.516 262 HE1 PHE 38 1HE PHE 38 1.071 -2.631 -3.139 263 HE2 PHE 38 2HE PHE 38 0.437 -4.110 0.844 264 HZ PHE 38 HZ PHE 38 -0.361 -3.798 -1.484 265 H ARG 39 H ARG 39 5.372 -0.509 3.019 266 HA ARG 39 HA ARG 39 7.631 1.161 2.225 267 1HB ARG 39 2HB ARG 39 6.336 1.575 4.341 268 2HB ARG 39 1HB ARG 39 6.979 0.055 4.963 269 1HG ARG 39 2HG ARG 39 9.275 0.891 4.669 270 2HG ARG 39 1HG ARG 39 8.647 2.406 4.020 271 1HD ARG 39 2HD ARG 39 9.151 2.771 6.349 272 2HD ARG 39 1HD ARG 39 7.398 2.724 6.185 273 HE ARG 39 HE ARG 39 8.356 0.124 6.769 274 1HH1 ARG 39 1HH2 ARG 39 7.947 3.266 8.161 275 2HH1 ARG 39 2HH2 ARG 39 7.765 2.677 9.779 276 1HH2 ARG 39 1HH1 ARG 39 8.117 -0.656 8.888 277 2HH2 ARG 39 2HH1 ARG 39 7.861 0.456 10.191 278 H ILE 40 H ILE 40 9.168 0.019 1.181 279 HA ILE 40 HA ILE 40 9.892 -2.658 2.106 280 HB ILE 40 HB ILE 40 11.051 -1.071 -0.193 281 1HG1 ILE 40 2HG1 ILE 40 8.831 -3.139 -0.225 282 2HG1 ILE 40 1HG1 ILE 40 8.573 -1.401 -0.375 283 1HG2 ILE 40 1HG2 ILE 40 12.434 -2.953 0.543 284 2HG2 ILE 40 2HG2 ILE 40 11.668 -3.346 -0.997 285 3HG2 ILE 40 3HG2 ILE 40 11.033 -4.024 0.502 286 1HD1 ILE 40 1HD1 ILE 40 8.647 -2.148 -2.614 287 2HD1 ILE 40 2HD1 ILE 40 9.976 -3.260 -2.290 288 3HD1 ILE 40 3HD1 ILE 40 10.269 -1.521 -2.327 289 H VAL 41 H VAL 41 11.607 -3.082 3.353 290 HA VAL 41 HA VAL 41 13.706 -1.023 3.620 291 HB VAL 41 HB VAL 41 12.452 -2.572 5.899 292 1HG1 VAL 41 1HG1 VAL 41 14.733 -0.597 5.709 293 2HG1 VAL 41 2HG1 VAL 41 14.747 -2.211 6.421 294 3HG1 VAL 41 3HG1 VAL 41 13.881 -0.900 7.223 295 1HG2 VAL 41 1HG2 VAL 41 11.527 -0.445 6.596 296 2HG2 VAL 41 2HG2 VAL 41 11.061 -0.707 4.915 297 3HG2 VAL 41 3HG2 VAL 41 12.378 0.401 5.303 298 H ASN 42 H ASN 42 15.687 -1.816 3.327 299 HA ASN 42 HA ASN 42 16.052 -4.743 3.434 300 1HB ASN 42 2HB ASN 42 16.540 -3.401 1.297 301 2HB ASN 42 1HB ASN 42 17.943 -2.771 2.160 302 1HD2 ASN 42 1HD2 ASN 42 16.573 -6.085 2.345 303 2HD2 ASN 42 2HD2 ASN 42 17.971 -6.856 1.765 304 H LYS 43 H LYS 43 16.699 -5.266 5.449 305 HA LYS 43 HA LYS 43 18.084 -3.669 7.261 306 1HB LYS 43 2HB LYS 43 18.080 -6.683 6.973 307 2HB LYS 43 1HB LYS 43 18.697 -5.813 8.379 308 1HG LYS 43 2HG LYS 43 16.445 -4.736 8.628 309 2HG LYS 43 1HG LYS 43 15.855 -5.772 7.328 310 1HD LYS 43 2HD LYS 43 16.569 -7.768 8.663 311 2HD LYS 43 1HD LYS 43 16.986 -6.680 9.989 312 1HE LYS 43 2HE LYS 43 14.671 -5.886 10.100 313 2HE LYS 43 1HE LYS 43 14.236 -6.907 8.730 314 1HZ LYS 43 1HZ LYS 43 13.627 -8.047 10.702 315 2HZ LYS 43 2HZ LYS 43 15.149 -7.785 11.411 316 3HZ LYS 43 3HZ LYS 43 14.997 -8.833 10.083 317 H LYS 44 H LYS 44 19.280 -5.666 4.636 318 HA LYS 44 HA LYS 44 21.946 -5.963 5.238 319 1HB LYS 44 2HB LYS 44 20.346 -6.121 2.910 320 2HB LYS 44 1HB LYS 44 21.735 -5.112 2.504 321 1HG LYS 44 2HG LYS 44 21.994 -7.769 3.931 322 2HG LYS 44 1HG LYS 44 22.088 -7.606 2.176 323 1HD LYS 44 2HD LYS 44 23.792 -5.803 3.843 324 2HD LYS 44 1HD LYS 44 24.280 -7.490 3.685 325 1HE LYS 44 2HE LYS 44 24.293 -7.313 1.262 326 2HE LYS 44 1HE LYS 44 23.646 -5.675 1.342 327 1HZ LYS 44 1HZ LYS 44 25.917 -5.368 1.082 328 2HZ LYS 44 2HZ LYS 44 26.322 -6.644 2.128 329 3HZ LYS 44 3HZ LYS 44 25.701 -5.192 2.755 330 H LYS 45 H LYS 45 20.841 -3.324 3.110 331 HA LYS 45 HA LYS 45 23.094 -1.692 4.035 332 1HB LYS 45 2HB LYS 45 21.126 -1.306 1.767 333 2HB LYS 45 1HB LYS 45 22.453 -0.206 2.145 334 1HG LYS 45 2HG LYS 45 24.054 -2.100 1.863 335 2HG LYS 45 1HG LYS 45 22.707 -3.128 1.374 336 1HD LYS 45 2HD LYS 45 22.210 -1.523 -0.477 337 2HD LYS 45 1HD LYS 45 23.651 -0.610 -0.026 338 1HE LYS 45 2HE LYS 45 24.080 -2.210 -1.893 339 2HE LYS 45 1HE LYS 45 25.067 -2.547 -0.470 340 1HZ LYS 45 1HZ LYS 45 22.493 -3.893 -1.081 341 2HZ LYS 45 2HZ LYS 45 23.568 -4.274 0.179 342 3HZ LYS 45 3HZ LYS 45 24.019 -4.542 -1.438 343 H LYS 46 H LYS 46 19.945 -2.201 4.906 344 HA LYS 46 HA LYS 46 18.428 -1.038 6.180 345 1HB LYS 46 2HB LYS 46 21.046 -0.192 7.014 346 2HB LYS 46 1HB LYS 46 19.927 1.167 7.118 347 1HG LYS 46 2HG LYS 46 19.258 -1.573 8.210 348 2HG LYS 46 1HG LYS 46 20.046 -0.330 9.183 349 1HD LYS 46 2HD LYS 46 18.132 1.219 8.544 350 2HD LYS 46 1HD LYS 46 17.317 -0.198 7.880 351 1HE LYS 46 2HE LYS 46 18.061 0.367 10.747 352 2HE LYS 46 1HE LYS 46 16.486 -0.069 10.084 353 1HZ LYS 46 1HZ LYS 46 18.868 -1.836 10.218 354 2HZ LYS 46 2HZ LYS 46 17.369 -2.257 9.538 355 3HZ LYS 46 3HZ LYS 46 17.491 -1.944 11.203 356 H GLN 47 H GLN 47 18.739 -0.350 3.365 357 HA GLN 47 HA GLN 47 18.226 2.543 3.329 358 1HB GLN 47 2HB GLN 47 18.381 2.343 0.895 359 2HB GLN 47 1HB GLN 47 19.797 1.619 1.659 360 1HG GLN 47 2HG GLN 47 18.514 -0.604 1.550 361 2HG GLN 47 1HG GLN 47 17.411 0.217 0.447 362 1HE2 GLN 47 1HE2 GLN 47 20.193 1.777 -0.204 363 2HE2 GLN 47 2HE2 GLN 47 20.837 0.776 -1.414 364 H TRP 48 H TRP 48 16.235 3.364 3.131 365 HA TRP 48 HA TRP 48 13.973 1.540 3.044 366 1HB TRP 48 2HB TRP 48 14.219 4.525 3.437 367 2HB TRP 48 1HB TRP 48 12.665 3.697 3.336 368 HD1 TRP 48 HD TRP 48 15.283 1.605 4.932 369 HE1 TRP 48 1HE TRP 48 14.930 1.527 7.485 370 HE3 TRP 48 3HE TRP 48 11.825 5.326 5.460 371 HZ2 TRP 48 2HZ TRP 48 13.387 2.866 9.487 372 HZ3 TRP 48 3HZ TRP 48 10.931 5.903 7.700 373 HH2 TRP 48 HH TRP 48 11.707 4.679 9.711 374 H ALA 49 H ALA 49 12.479 1.376 1.425 375 HA ALA 49 HA ALA 49 12.806 3.076 -0.957 376 1HB ALA 49 1HB ALA 49 12.357 0.875 -2.281 377 2HB ALA 49 2HB ALA 49 12.965 0.079 -0.830 378 3HB ALA 49 3HB ALA 49 13.991 1.210 -1.712 379 H TYR 50 H TYR 50 10.917 3.466 -2.089 380 HA TYR 50 HA TYR 50 8.453 2.338 -0.902 381 1HB TYR 50 2HB TYR 50 9.080 5.153 -1.775 382 2HB TYR 50 1HB TYR 50 7.421 4.575 -1.620 383 HD1 TYR 50 1HD TYR 50 6.822 3.372 0.631 384 HD2 TYR 50 2HD TYR 50 10.189 5.990 0.110 385 HE1 TYR 50 1HE TYR 50 6.923 3.731 3.083 386 HE2 TYR 50 2HE TYR 50 10.290 6.348 2.562 387 HH TYR 50 HH TYR 50 9.401 4.746 4.690 388 H TYR 51 H TYR 51 6.958 1.537 -2.270 389 HA TYR 51 HA TYR 51 7.377 1.956 -5.169 390 1HB TYR 51 2HB TYR 51 8.057 -0.276 -4.821 391 2HB TYR 51 1HB TYR 51 6.771 -0.576 -3.652 392 HD1 TYR 51 1HD TYR 51 4.512 -1.080 -4.360 393 HD2 TYR 51 2HD TYR 51 7.555 -0.126 -7.238 394 HE1 TYR 51 1HE TYR 51 3.035 -1.878 -6.185 395 HE2 TYR 51 2HE TYR 51 6.078 -0.923 -9.063 396 HH TYR 51 HH TYR 51 2.906 -2.371 -8.360 397 H ASN 52 H ASN 52 5.682 2.849 -6.148 398 HA ASN 52 HA ASN 52 3.153 3.079 -4.721 399 1HB ASN 52 2HB ASN 52 4.044 5.065 -5.818 400 2HB ASN 52 1HB ASN 52 4.074 4.223 -7.366 401 1HD2 ASN 52 1HD2 ASN 52 2.571 6.513 -7.356 402 2HD2 ASN 52 2HD2 ASN 52 0.912 6.153 -7.315 403 H ASP 53 H ASP 53 1.684 1.524 -4.906 404 HA ASP 53 HA ASP 53 1.671 -0.275 -7.185 405 1HB ASP 53 2HB ASP 53 1.261 -1.104 -4.883 406 2HB ASP 53 1HB ASP 53 -0.206 -0.130 -4.815 407 H THR 54 H THR 54 -0.356 2.288 -5.836 408 HA THR 54 HA THR 54 -2.575 2.021 -7.531 409 HB THR 54 HB THR 54 -2.815 4.546 -7.085 410 HG1 THR 54 1HG THR 54 -0.463 4.658 -6.664 411 1HG2 THR 54 1HG2 THR 54 -3.455 4.135 -4.755 412 2HG2 THR 54 2HG2 THR 54 -2.495 2.656 -4.738 413 3HG2 THR 54 3HG2 THR 54 -3.925 2.766 -5.764 414 H THR 55 H THR 55 -2.891 2.434 -9.627 415 HA THR 55 HA THR 55 -0.697 3.705 -11.131 416 HB THR 55 HB THR 55 -1.865 2.677 -13.119 417 HG1 THR 55 1HG THR 55 -3.693 1.722 -12.796 418 1HG2 THR 55 1HG2 THR 55 -0.984 0.467 -12.693 419 2HG2 THR 55 2HG2 THR 55 -1.095 0.709 -10.950 420 3HG2 THR 55 3HG2 THR 55 0.072 1.634 -11.896 421 H GLN 56 H GLN 56 -3.066 4.946 -9.578 422 HA GLN 56 HA GLN 56 -3.926 6.724 -11.779 423 1HB GLN 56 2HB GLN 56 -6.001 6.942 -10.062 424 2HB GLN 56 1HB GLN 56 -5.975 5.798 -11.404 425 1HG GLN 56 2HG GLN 56 -4.866 5.079 -8.691 426 2HG GLN 56 1HG GLN 56 -6.571 4.860 -9.080 427 1HE2 GLN 56 1HE2 GLN 56 -4.573 2.715 -8.560 428 2HE2 GLN 56 2HE2 GLN 56 -4.525 1.773 -9.971 429 H TYR 57 H TYR 57 -2.614 6.352 -8.642 430 HA TYR 57 HA TYR 57 -2.515 9.284 -8.348 431 1HB TYR 57 2HB TYR 57 -2.788 7.604 -5.893 432 2HB TYR 57 1HB TYR 57 -3.276 9.276 -6.170 433 HD1 TYR 57 1HD TYR 57 -5.181 9.656 -7.923 434 HD2 TYR 57 2HD TYR 57 -4.392 5.896 -5.999 435 HE1 TYR 57 1HE TYR 57 -7.481 8.898 -8.458 436 HE2 TYR 57 2HE TYR 57 -6.692 5.139 -6.535 437 HH TYR 57 HH TYR 57 -8.449 5.740 -8.344 438 H GLU 58 H GLU 58 -0.639 10.088 -7.431 439 HA GLU 58 HA GLU 58 1.616 8.224 -7.360 440 1HB GLU 58 2HB GLU 58 2.950 10.366 -7.142 441 2HB GLU 58 1HB GLU 58 2.021 10.210 -8.633 442 1HG GLU 58 2HG GLU 58 0.724 11.524 -6.276 443 2HG GLU 58 1HG GLU 58 1.914 12.440 -7.202 444 H MET 59 H MET 59 2.735 7.694 -5.554 445 HA MET 59 HA MET 59 1.543 8.415 -2.994 446 1HB MET 59 2HB MET 59 3.520 6.364 -3.924 447 2HB MET 59 1HB MET 59 3.438 6.782 -2.212 448 1HG MET 59 2HG MET 59 1.934 4.843 -3.083 449 2HG MET 59 1HG MET 59 1.216 6.043 -2.009 450 1HE MET 59 1HE MET 59 -1.875 5.720 -4.080 451 2HE MET 59 2HE MET 59 -1.176 6.090 -2.507 452 3HE MET 59 3HE MET 59 -0.839 4.537 -3.270 453 H HIS 60 H HIS 60 2.218 10.152 -1.928 454 HA HIS 60 HA HIS 60 4.908 11.214 -2.429 455 1HB HIS 60 2HB HIS 60 2.425 12.338 -1.140 456 2HB HIS 60 1HB HIS 60 3.995 13.125 -0.970 457 HD1 HIS 60 1HD HIS 60 4.558 14.740 -2.783 458 HD2 HIS 60 2HD HIS 60 1.804 11.888 -4.076 459 HE1 HIS 60 1HE HIS 60 3.935 15.368 -5.157 460 HE2 HIS 60 2HE HIS 60 2.257 13.640 -5.959 461 H VAL 61 H VAL 61 6.523 11.031 -0.997 462 HA VAL 61 HA VAL 61 5.896 9.824 1.624 463 HB VAL 61 HB VAL 61 8.423 9.809 -0.038 464 1HG1 VAL 61 1HG1 VAL 61 7.880 8.898 2.796 465 2HG1 VAL 61 2HG1 VAL 61 9.149 9.984 2.233 466 3HG1 VAL 61 3HG1 VAL 61 9.222 8.267 1.840 467 1HG2 VAL 61 1HG2 VAL 61 6.499 8.250 -0.612 468 2HG2 VAL 61 2HG2 VAL 61 6.716 7.522 0.981 469 3HG2 VAL 61 3HG2 VAL 61 8.015 7.443 -0.209 470 H LEU 62 H LEU 62 6.174 10.988 3.408 471 HA LEU 62 HA LEU 62 8.147 13.161 3.444 472 1HB LEU 62 2HB LEU 62 5.977 14.195 2.829 473 2HB LEU 62 1HB LEU 62 5.267 13.534 4.303 474 HG LEU 62 HG LEU 62 7.078 14.749 5.597 475 1HD1 LEU 62 1HD1 LEU 62 7.616 15.726 2.804 476 2HD1 LEU 62 2HD1 LEU 62 8.764 15.234 4.050 477 3HD1 LEU 62 3HD1 LEU 62 7.936 16.785 4.179 478 1HD2 LEU 62 1HD2 LEU 62 5.961 16.969 5.361 479 2HD2 LEU 62 2HD2 LEU 62 4.802 15.642 5.463 480 3HD2 LEU 62 3HD2 LEU 62 5.159 16.382 3.903 481 H VAL 63 H VAL 63 9.399 11.970 4.877 482 HA VAL 63 HA VAL 63 8.156 11.385 7.498 483 HB VAL 63 HB VAL 63 10.559 10.069 6.209 484 1HG1 VAL 63 1HG1 VAL 63 10.303 8.480 8.128 485 2HG1 VAL 63 2HG1 VAL 63 9.088 9.559 8.812 486 3HG1 VAL 63 3HG1 VAL 63 10.755 10.107 8.635 487 1HG2 VAL 63 1HG2 VAL 63 8.163 9.616 5.304 488 2HG2 VAL 63 2HG2 VAL 63 7.903 8.786 6.840 489 3HG2 VAL 63 3HG2 VAL 63 9.160 8.227 5.738 490 H THR 64 H THR 64 8.980 12.338 9.265 491 HA THR 64 HA THR 64 11.394 14.005 8.918 492 HB THR 64 HB THR 64 9.169 14.265 10.957 493 HG1 THR 64 1HG THR 64 9.303 14.970 8.412 494 1HG2 THR 64 1HG2 THR 64 11.268 15.119 11.820 495 2HG2 THR 64 2HG2 THR 64 10.261 16.489 11.353 496 3HG2 THR 64 3HG2 THR 64 11.587 15.973 10.311 497 H PHE 65 H PHE 65 13.112 13.765 10.278 498 HA PHE 65 HA PHE 65 12.882 11.675 12.361 499 1HB PHE 65 2HB PHE 65 15.471 12.245 10.964 500 2HB PHE 65 1HB PHE 65 14.929 10.764 11.754 501 HD1 PHE 65 1HD PHE 65 13.685 9.102 10.568 502 HD2 PHE 65 2HD PHE 65 14.458 12.923 8.763 503 HE1 PHE 65 1HE PHE 65 12.859 8.243 8.394 504 HE2 PHE 65 2HE PHE 65 13.631 12.063 6.590 505 HZ PHE 65 HZ PHE 65 12.832 9.723 6.404 506 H ASN 66 H ASN 66 14.535 11.868 14.087 507 HA ASN 66 HA ASN 66 14.694 14.631 14.985 508 1HB ASN 66 2HB ASN 66 14.036 12.671 16.465 509 2HB ASN 66 1HB ASN 66 15.726 12.174 16.407 510 1HD2 ASN 66 1HD2 ASN 66 16.953 12.994 18.101 511 2HD2 ASN 66 2HD2 ASN 66 16.627 14.437 18.933 512 H GLU 67 H GLU 67 16.663 15.605 15.723 513 HA GLU 67 HA GLU 67 18.758 15.621 13.936 514 1HB GLU 67 2HB GLU 67 18.649 17.414 15.469 515 2HB GLU 67 1HB GLU 67 18.643 16.332 16.863 516 1HG GLU 67 2HG GLU 67 20.930 15.810 16.622 517 2HG GLU 67 1HG GLU 67 20.977 16.386 14.956 518 H ASP 68 H ASP 68 18.484 13.739 16.938 519 HA ASP 68 HA ASP 68 21.047 12.473 16.589 520 1HB ASP 68 2HB ASP 68 18.723 11.903 18.438 521 2HB ASP 68 1HB ASP 68 20.249 11.023 18.481 522 H CYS 69 H CYS 69 20.415 11.869 14.281 523 HA CYS 69 HA CYS 69 19.669 9.058 14.297 524 1HB CYS 69 2HB CYS 69 18.169 10.969 12.498 525 2HB CYS 69 1HB CYS 69 17.892 9.238 12.699 526 HG CYS 69 HG CYS 69 17.366 11.278 15.018 527 H ASP 70 H ASP 70 21.351 8.196 13.264 528 HA ASP 70 HA ASP 70 22.870 9.662 11.302 529 1HB ASP 70 2HB ASP 70 23.787 7.935 12.941 530 2HB ASP 70 1HB ASP 70 23.072 6.710 11.895 531 H ILE 71 H ILE 71 21.180 10.082 9.750 532 HA ILE 71 HA ILE 71 20.577 7.732 8.054 533 HB ILE 71 HB ILE 71 18.467 8.866 7.432 534 1HG1 ILE 71 2HG1 ILE 71 19.281 10.831 9.601 535 2HG1 ILE 71 1HG1 ILE 71 19.222 11.183 7.872 536 1HG2 ILE 71 1HG2 ILE 71 18.557 7.229 9.314 537 2HG2 ILE 71 2HG2 ILE 71 17.300 8.445 9.537 538 3HG2 ILE 71 3HG2 ILE 71 18.814 8.568 10.432 539 1HD1 ILE 71 1HD1 ILE 71 16.916 10.534 9.717 540 2HD1 ILE 71 2HD1 ILE 71 16.766 10.458 7.961 541 3HD1 ILE 71 3HD1 ILE 71 17.156 11.988 8.747 542 H LYS 72 H LYS 72 20.297 8.222 5.763 543 HA LYS 72 HA LYS 72 21.633 10.702 4.889 544 1HB LYS 72 2HB LYS 72 23.183 8.657 4.939 545 2HB LYS 72 1HB LYS 72 22.209 8.037 3.605 546 1HG LYS 72 2HG LYS 72 22.691 10.042 2.283 547 2HG LYS 72 1HG LYS 72 23.606 10.729 3.626 548 1HD LYS 72 2HD LYS 72 25.322 9.109 3.436 549 2HD LYS 72 1HD LYS 72 24.321 8.044 2.448 550 1HE LYS 72 2HE LYS 72 26.061 9.298 1.134 551 2HE LYS 72 1HE LYS 72 24.411 9.589 0.584 552 1HZ LYS 72 1HZ LYS 72 24.413 11.700 1.379 553 2HZ LYS 72 2HZ LYS 72 26.075 11.551 1.057 554 3HZ LYS 72 3HZ LYS 72 25.493 11.360 2.641 555 H ALA 73 H ALA 73 21.303 11.118 2.542 556 HA ALA 73 HA ALA 73 18.541 10.421 1.820 557 1HB ALA 73 1HB ALA 73 19.922 12.350 0.109 558 2HB ALA 73 2HB ALA 73 19.894 12.831 1.805 559 3HB ALA 73 3HB ALA 73 18.383 12.498 0.958 560 H LEU 74 H LEU 74 18.004 9.437 -0.095 561 HA LEU 74 HA LEU 74 20.260 8.462 -1.743 562 1HB LEU 74 2HB LEU 74 17.626 7.035 -1.349 563 2HB LEU 74 1HB LEU 74 19.102 6.402 -2.082 564 HG LEU 74 HG LEU 74 18.902 7.305 0.804 565 1HD1 LEU 74 1HD1 LEU 74 19.163 4.439 -0.043 566 2HD1 LEU 74 2HD1 LEU 74 17.565 5.184 -0.038 567 3HD1 LEU 74 3HD1 LEU 74 18.506 5.105 1.451 568 1HD2 LEU 74 1HD2 LEU 74 21.165 7.424 0.098 569 2HD2 LEU 74 2HD2 LEU 74 21.020 5.965 -0.883 570 3HD2 LEU 74 3HD2 LEU 74 21.031 5.847 0.876 571 H GLY 75 H GLY 75 19.576 7.871 -4.000 572 1HA GLY 75 2HA GLY 75 18.858 8.655 -6.049 573 2HA GLY 75 1HA GLY 75 17.270 8.631 -5.287 574 H LYS 76 H LYS 76 16.307 10.492 -5.845 575 HA LYS 76 HA LYS 76 17.858 12.978 -5.908 576 1HB LYS 76 2HB LYS 76 16.163 13.873 -7.224 577 2HB LYS 76 1HB LYS 76 16.110 12.172 -7.690 578 1HG LYS 76 2HG LYS 76 14.389 11.920 -5.762 579 2HG LYS 76 1HG LYS 76 14.251 13.676 -5.855 580 1HD LYS 76 2HD LYS 76 13.930 13.287 -8.410 581 2HD LYS 76 1HD LYS 76 13.574 11.621 -7.951 582 1HE LYS 76 2HE LYS 76 11.812 12.425 -6.413 583 2HE LYS 76 1HE LYS 76 12.159 14.087 -6.893 584 1HZ LYS 76 1HZ LYS 76 11.111 13.833 -8.842 585 2HZ LYS 76 2HZ LYS 76 10.336 12.530 -8.075 586 3HZ LYS 76 3HZ LYS 76 11.679 12.252 -9.077 587 H THR 77 H THR 77 16.053 11.227 -3.713 588 HA THR 77 HA THR 77 14.352 12.919 -2.409 589 HB THR 77 HB THR 77 16.368 11.090 -1.084 590 HG1 THR 77 1HG THR 77 14.124 10.685 -2.589 591 1HG2 THR 77 1HG2 THR 77 14.463 10.966 0.629 592 2HG2 THR 77 2HG2 THR 77 13.814 12.406 -0.156 593 3HG2 THR 77 3HG2 THR 77 15.404 12.459 0.603 594 H LYS 78 H LYS 78 14.518 14.878 -1.538 595 HA LYS 78 HA LYS 78 17.141 16.080 -1.161 596 1HB LYS 78 2HB LYS 78 15.163 17.277 -2.207 597 2HB LYS 78 1HB LYS 78 14.446 17.324 -0.596 598 1HG LYS 78 2HG LYS 78 16.637 18.391 0.190 599 2HG LYS 78 1HG LYS 78 17.024 18.605 -1.517 600 1HD LYS 78 2HD LYS 78 14.570 19.686 -0.101 601 2HD LYS 78 1HD LYS 78 15.958 20.633 -0.640 602 1HE LYS 78 2HE LYS 78 13.881 19.227 -2.316 603 2HE LYS 78 1HE LYS 78 14.384 20.917 -2.378 604 1HZ LYS 78 1HZ LYS 78 15.985 18.555 -3.198 605 2HZ LYS 78 2HZ LYS 78 16.586 20.143 -3.130 606 3HZ LYS 78 3HZ LYS 78 15.340 19.749 -4.216 607 H LEU 79 H LEU 79 18.156 16.316 0.733 608 HA LEU 79 HA LEU 79 16.627 15.766 3.206 609 1HB LEU 79 2HB LEU 79 18.133 13.920 2.783 610 2HB LEU 79 1HB LEU 79 19.482 15.028 2.523 611 HG LEU 79 HG LEU 79 19.343 15.792 4.843 612 1HD1 LEU 79 1HD1 LEU 79 17.095 15.699 5.465 613 2HD1 LEU 79 2HD1 LEU 79 17.754 14.305 6.322 614 3HD1 LEU 79 3HD1 LEU 79 16.878 14.076 4.808 615 1HD2 LEU 79 1HD2 LEU 79 19.211 12.769 4.872 616 2HD2 LEU 79 2HD2 LEU 79 20.190 13.822 5.893 617 3HD2 LEU 79 3HD2 LEU 79 20.581 13.642 4.183 618 H GLU 80 H GLU 80 16.659 17.322 4.701 619 HA GLU 80 HA GLU 80 18.908 19.170 4.883 620 1HB GLU 80 2HB GLU 80 17.477 20.259 3.225 621 2HB GLU 80 1HB GLU 80 16.092 20.123 4.308 622 1HG GLU 80 2HG GLU 80 17.065 22.372 4.456 623 2HG GLU 80 1HG GLU 80 17.275 21.512 5.981 624 H GLN 81 H GLN 81 19.043 20.216 6.881 625 HA GLN 81 HA GLN 81 17.281 19.088 8.957 626 1HB GLN 81 2HB GLN 81 19.761 18.731 9.136 627 2HB GLN 81 1HB GLN 81 19.944 20.476 9.317 628 1HG GLN 81 2HG GLN 81 18.509 20.443 11.306 629 2HG GLN 81 1HG GLN 81 18.263 18.708 11.116 630 1HE2 GLN 81 1HE2 GLN 81 19.345 19.428 13.523 631 2HE2 GLN 81 2HE2 GLN 81 21.006 19.083 13.576 632 H GLN 82 H GLN 82 16.345 20.418 10.532 633 HA GLN 82 HA GLN 82 16.000 23.215 9.677 634 1HB GLN 82 2HB GLN 82 14.330 21.988 11.824 635 2HB GLN 82 1HB GLN 82 13.882 23.153 10.577 636 1HG GLN 82 2HG GLN 82 14.361 20.183 10.225 637 2HG GLN 82 1HG GLN 82 12.845 21.053 10.002 638 1HE2 GLN 82 1HE2 GLN 82 14.952 19.531 8.134 639 2HE2 GLN 82 2HE2 GLN 82 15.032 20.569 6.795 640 H GLU 83 H GLU 83 15.622 24.779 11.538 641 HA GLU 83 HA GLU 83 17.955 24.893 13.141 642 1HB GLU 83 2HB GLU 83 15.364 26.432 13.439 643 2HB GLU 83 1HB GLU 83 16.915 26.863 14.160 644 1HG GLU 83 2HG GLU 83 17.899 27.008 11.875 645 2HG GLU 83 1HG GLU 83 16.305 26.683 11.196 646 H ASN 84 H ASN 84 14.634 23.884 13.787 647 HA ASN 84 HA ASN 84 14.747 23.693 16.576 648 1HB ASN 84 2HB ASN 84 12.970 21.919 16.273 649 2HB ASN 84 1HB ASN 84 12.633 23.459 15.485 650 1HD2 ASN 84 1HD2 ASN 84 14.615 20.587 14.538 651 2HD2 ASN 84 2HD2 ASN 84 13.888 20.416 13.014 652 H GLY 85 H GLY 85 16.162 21.709 14.108 653 1HA GLY 85 2HA GLY 85 18.021 20.280 14.584 654 2HA GLY 85 1HA GLY 85 17.370 20.026 16.201 655 H GLU 86 H GLU 86 15.961 19.735 12.936 656 HA GLU 86 HA GLU 86 15.520 16.865 13.430 657 1HB GLU 86 2HB GLU 86 13.402 18.844 12.557 658 2HB GLU 86 1HB GLU 86 13.210 17.091 12.518 659 1HG GLU 86 2HG GLU 86 13.652 17.007 14.959 660 2HG GLU 86 1HG GLU 86 13.771 18.766 14.983 661 H TRP 87 H TRP 87 15.294 15.605 11.534 662 HA TRP 87 HA TRP 87 16.405 16.909 9.134 663 1HB TRP 87 2HB TRP 87 16.354 14.017 10.017 664 2HB TRP 87 1HB TRP 87 16.922 14.547 8.433 665 HD1 TRP 87 HD TRP 87 17.859 14.502 12.102 666 HE1 TRP 87 1HE TRP 87 20.290 15.316 12.367 667 HE3 TRP 87 3HE TRP 87 18.765 16.130 7.348 668 HZ2 TRP 87 2HZ TRP 87 22.347 16.504 10.772 669 HZ3 TRP 87 3HZ TRP 87 20.964 17.104 6.751 670 HH2 TRP 87 HH TRP 87 22.755 17.294 8.455 671 H VAL 88 H VAL 88 15.372 16.820 7.183 672 HA VAL 88 HA VAL 88 12.726 15.498 7.136 673 HB VAL 88 HB VAL 88 13.509 18.173 5.955 674 1HG1 VAL 88 1HG1 VAL 88 11.036 16.456 5.666 675 2HG1 VAL 88 2HG1 VAL 88 12.032 17.149 4.387 676 3HG1 VAL 88 3HG1 VAL 88 11.011 18.194 5.374 677 1HG2 VAL 88 1HG2 VAL 88 13.016 18.079 8.422 678 2HG2 VAL 88 2HG2 VAL 88 11.417 17.447 8.030 679 3HG2 VAL 88 3HG2 VAL 88 11.874 19.070 7.513 680 H ALA 89 H ALA 89 12.328 14.206 5.434 681 HA ALA 89 HA ALA 89 14.034 14.424 3.045 682 1HB ALA 89 1HB ALA 89 14.868 12.642 4.688 683 2HB ALA 89 2HB ALA 89 14.573 12.118 3.030 684 3HB ALA 89 3HB ALA 89 13.398 11.753 4.292 685 H SER 90 H SER 90 12.563 14.940 1.537 686 HA SER 90 HA SER 90 10.080 13.334 1.425 687 1HB SER 90 2HB SER 90 8.921 15.247 0.554 688 2HB SER 90 1HB SER 90 9.771 15.768 2.006 689 HG SER 90 HG SER 90 10.329 16.277 -0.701 690 H VAL 91 H VAL 91 9.428 12.550 -0.556 691 HA VAL 91 HA VAL 91 10.739 13.314 -3.006 692 HB VAL 91 HB VAL 91 12.375 11.736 -1.871 693 1HG1 VAL 91 1HG1 VAL 91 11.832 9.419 -1.711 694 2HG1 VAL 91 2HG1 VAL 91 10.343 9.630 -2.631 695 3HG1 VAL 91 3HG1 VAL 91 10.465 10.272 -0.993 696 1HG2 VAL 91 1HG2 VAL 91 12.564 10.294 -3.990 697 2HG2 VAL 91 2HG2 VAL 91 12.592 12.041 -4.226 698 3HG2 VAL 91 3HG2 VAL 91 11.118 11.130 -4.554 699 H VAL 92 H VAL 92 9.483 12.841 -4.743 700 HA VAL 92 HA VAL 92 6.919 11.534 -4.187 701 HB VAL 92 HB VAL 92 7.870 13.137 -6.572 702 1HG1 VAL 92 1HG1 VAL 92 5.358 13.159 -7.052 703 2HG1 VAL 92 2HG1 VAL 92 5.223 11.844 -5.884 704 3HG1 VAL 92 3HG1 VAL 92 6.185 11.629 -7.346 705 1HG2 VAL 92 1HG2 VAL 92 6.131 13.768 -4.174 706 2HG2 VAL 92 2HG2 VAL 92 6.155 14.767 -5.626 707 3HG2 VAL 92 3HG2 VAL 92 7.620 14.575 -4.664 708 H VAL 93 H VAL 93 6.275 9.654 -5.096 709 HA VAL 93 HA VAL 93 8.182 8.320 -6.925 710 HB VAL 93 HB VAL 93 6.273 6.999 -4.983 711 1HG1 VAL 93 1HG1 VAL 93 7.761 5.022 -5.487 712 2HG1 VAL 93 2HG1 VAL 93 8.512 5.986 -6.758 713 3HG1 VAL 93 3HG1 VAL 93 6.801 5.570 -6.861 714 1HG2 VAL 93 1HG2 VAL 93 8.213 6.585 -3.583 715 2HG2 VAL 93 2HG2 VAL 93 8.114 8.320 -3.883 716 3HG2 VAL 93 3HG2 VAL 93 9.281 7.337 -4.768 717 H TYR 94 H TYR 94 7.437 7.804 -8.882 718 HA TYR 94 HA TYR 94 4.613 8.255 -9.478 719 1HB TYR 94 2HB TYR 94 7.037 7.753 -11.211 720 2HB TYR 94 1HB TYR 94 5.400 7.873 -11.856 721 HD1 TYR 94 1HD TYR 94 4.028 9.980 -10.865 722 HD2 TYR 94 2HD TYR 94 8.303 9.704 -11.174 723 HE1 TYR 94 1HE TYR 94 4.191 12.454 -10.809 724 HE2 TYR 94 2HE TYR 94 8.465 12.178 -11.127 725 HH TYR 94 HH TYR 94 6.456 14.166 -11.843 726 HA PRO 95 HA PRO 95 3.307 4.089 -9.505 727 1HB PRO 95 2HB PRO 95 1.858 4.017 -11.879 728 2HB PRO 95 1HB PRO 95 1.252 4.635 -10.332 729 1HG PRO 95 2HG PRO 95 2.342 6.118 -12.669 730 2HG PRO 95 1HG PRO 95 1.000 6.533 -11.591 731 1HD PRO 95 2HD PRO 95 3.392 7.748 -11.358 732 2HD PRO 95 1HD PRO 95 2.413 7.363 -9.924 733 H CYS 96 H CYS 96 3.750 2.043 -10.401 734 HA CYS 96 HA CYS 96 4.992 0.484 -11.541 735 1HB CYS 96 2HB CYS 96 4.902 2.461 -13.829 736 2HB CYS 96 1HB CYS 96 5.128 0.715 -13.931 737 HG CYS 96 HG CYS 96 2.576 0.856 -12.634 738 H GLU 97 H GLU 97 6.346 2.534 -9.978 739 HA GLU 97 HA GLU 97 9.014 2.195 -11.120 740 1HB GLU 97 2HB GLU 97 8.020 4.441 -11.881 741 2HB GLU 97 1HB GLU 97 8.165 4.934 -10.193 742 1HG GLU 97 2HG GLU 97 10.581 4.350 -10.257 743 2HG GLU 97 1HG GLU 97 10.419 3.945 -11.964 744 H THR 98 H THR 98 10.707 2.508 -9.566 745 HA THR 98 HA THR 98 9.839 2.749 -6.763 746 HB THR 98 HB THR 98 11.834 0.642 -7.537 747 HG1 THR 98 1HG THR 98 9.520 -0.491 -7.094 748 1HG2 THR 98 1HG2 THR 98 9.925 1.073 -5.226 749 2HG2 THR 98 2HG2 THR 98 11.683 1.207 -5.186 750 3HG2 THR 98 3HG2 THR 98 10.925 -0.367 -5.426 751 H GLU 99 H GLU 99 11.000 4.307 -5.850 752 HA GLU 99 HA GLU 99 13.750 4.777 -6.833 753 1HB GLU 99 2HB GLU 99 11.838 6.764 -5.582 754 2HB GLU 99 1HB GLU 99 13.456 7.117 -6.192 755 1HG GLU 99 2HG GLU 99 11.211 5.987 -7.884 756 2HG GLU 99 1HG GLU 99 11.635 7.696 -7.816 757 H MET 100 H MET 100 15.237 5.709 -5.203 758 HA MET 100 HA MET 100 15.052 4.206 -2.727 759 1HB MET 100 2HB MET 100 17.201 6.135 -3.634 760 2HB MET 100 1HB MET 100 17.327 4.943 -2.340 761 1HG MET 100 2HG MET 100 16.878 4.323 -5.275 762 2HG MET 100 1HG MET 100 18.391 4.103 -4.396 763 1HE MET 100 1HE MET 100 17.178 2.798 -1.423 764 2HE MET 100 2HE MET 100 18.650 2.966 -2.378 765 3HE MET 100 3HE MET 100 18.005 1.361 -2.041 766 H PHE 101 H PHE 101 15.253 5.155 -0.629 767 HA PHE 101 HA PHE 101 14.197 7.916 -0.500 768 1HB PHE 101 2HB PHE 101 12.573 6.196 0.245 769 2HB PHE 101 1HB PHE 101 13.732 5.656 1.461 770 HD1 PHE 101 1HD PHE 101 12.742 6.272 3.519 771 HD2 PHE 101 2HD PHE 101 12.949 9.125 0.315 772 HE1 PHE 101 1HE PHE 101 11.911 8.043 5.042 773 HE2 PHE 101 2HE PHE 101 12.129 10.899 1.842 774 HZ PHE 101 HZ PHE 101 11.601 10.355 4.203 775 H ILE 102 H ILE 102 15.009 6.255 2.394 776 HA ILE 102 HA ILE 102 17.593 7.675 2.561 777 HB ILE 102 HB ILE 102 17.111 8.377 4.813 778 1HG1 ILE 102 2HG1 ILE 102 14.635 7.915 5.582 779 2HG1 ILE 102 1HG1 ILE 102 14.740 6.564 4.453 780 1HG2 ILE 102 1HG2 ILE 102 16.146 9.665 2.814 781 2HG2 ILE 102 2HG2 ILE 102 15.416 9.996 4.385 782 3HG2 ILE 102 3HG2 ILE 102 14.594 8.941 3.234 783 1HD1 ILE 102 1HD1 ILE 102 17.128 6.734 6.096 784 2HD1 ILE 102 2HD1 ILE 102 16.023 5.378 5.876 785 3HD1 ILE 102 3HD1 ILE 102 15.680 6.606 7.094 786 H GLU 103 H GLU 103 19.099 6.760 4.084 787 HA GLU 103 HA GLU 103 18.486 3.994 4.912 788 1HB GLU 103 2HB GLU 103 20.663 3.244 4.163 789 2HB GLU 103 1HB GLU 103 19.832 4.002 2.806 790 1HG GLU 103 2HG GLU 103 21.050 6.114 3.261 791 2HG GLU 103 1HG GLU 103 21.911 5.319 4.577 792 H GLY 104 H GLY 104 20.595 3.245 6.260 793 1HA GLY 104 2HA GLY 104 22.186 3.829 7.935 794 2HA GLY 104 1HA GLY 104 21.448 5.424 8.041 795 H ARG 105 H ARG 105 21.339 5.160 10.343 796 HA ARG 105 HA ARG 105 19.491 3.107 11.339 797 1HB ARG 105 2HB ARG 105 21.695 3.477 12.473 798 2HB ARG 105 1HB ARG 105 21.143 5.094 12.913 799 1HG ARG 105 2HG ARG 105 19.212 4.106 14.103 800 2HG ARG 105 1HG ARG 105 19.786 2.493 13.683 801 1HD ARG 105 2HD ARG 105 21.921 2.984 14.880 802 2HD ARG 105 1HD ARG 105 21.253 4.537 15.374 803 HE ARG 105 HE ARG 105 19.392 2.709 16.220 804 1HH1 ARG 105 1HH2 ARG 105 22.803 3.149 16.604 805 2HH1 ARG 105 2HH2 ARG 105 22.858 2.426 18.178 806 1HH2 ARG 105 1HH1 ARG 105 19.457 1.759 18.283 807 2HH2 ARG 105 2HH1 ARG 105 20.965 1.640 19.127 808 H VAL 106 H VAL 106 17.590 3.598 12.411 809 HA VAL 106 HA VAL 106 16.765 6.436 12.407 810 HB VAL 106 HB VAL 106 14.874 4.186 11.739 811 1HG1 VAL 106 1HG1 VAL 106 14.769 7.106 10.970 812 2HG1 VAL 106 2HG1 VAL 106 14.126 6.525 12.506 813 3HG1 VAL 106 3HG1 VAL 106 13.451 5.935 10.988 814 1HG2 VAL 106 1HG2 VAL 106 16.606 4.103 10.038 815 2HG2 VAL 106 2HG2 VAL 106 16.584 5.858 9.872 816 3HG2 VAL 106 3HG2 VAL 106 15.195 4.906 9.347 817 H ASN 107 H ASN 107 15.687 7.115 14.182 818 HA ASN 107 HA ASN 107 14.636 5.149 16.086 819 1HB ASN 107 2HB ASN 107 15.833 6.781 17.852 820 2HB ASN 107 1HB ASN 107 16.609 5.327 17.226 821 1HD2 ASN 107 1HD2 ASN 107 17.350 8.444 17.865 822 2HD2 ASN 107 2HD2 ASN 107 18.461 8.755 16.620 823 H GLY 108 H GLY 108 12.634 5.781 16.560 824 1HA GLY 108 2HA GLY 108 10.775 7.119 16.826 825 2HA GLY 108 1HA GLY 108 11.877 8.189 17.688 826 H PHE 109 H PHE 109 10.047 7.708 14.827 827 HA PHE 109 HA PHE 109 10.853 10.363 13.868 828 1HB PHE 109 2HB PHE 109 10.999 9.499 11.535 829 2HB PHE 109 1HB PHE 109 12.260 8.853 12.587 830 HD1 PHE 109 1HD PHE 109 12.038 6.543 13.535 831 HD2 PHE 109 2HD PHE 109 9.325 8.075 10.578 832 HE1 PHE 109 1HE PHE 109 11.266 4.237 13.048 833 HE2 PHE 109 2HE PHE 109 8.553 5.769 10.090 834 HZ PHE 109 HZ PHE 109 9.525 3.850 11.324 835 H LYS 110 H LYS 110 9.328 11.289 12.354 836 HA LYS 110 HA LYS 110 6.607 10.206 12.730 837 1HB LYS 110 2HB LYS 110 7.036 12.494 13.608 838 2HB LYS 110 1HB LYS 110 7.446 13.015 11.973 839 1HG LYS 110 2HG LYS 110 5.196 12.371 11.195 840 2HG LYS 110 1HG LYS 110 4.783 11.838 12.826 841 1HD LYS 110 2HD LYS 110 3.951 13.974 12.968 842 2HD LYS 110 1HD LYS 110 5.623 14.331 13.398 843 1HE LYS 110 2HE LYS 110 4.222 14.755 10.769 844 2HE LYS 110 1HE LYS 110 5.192 15.894 11.703 845 1HZ LYS 110 1HZ LYS 110 6.239 13.474 10.338 846 2HZ LYS 110 2HZ LYS 110 7.159 14.615 11.194 847 3HZ LYS 110 3HZ LYS 110 6.376 15.060 9.753 848 H SER 111 H SER 111 5.533 9.445 11.020 849 HA SER 111 HA SER 111 6.653 9.973 8.335 850 1HB SER 111 2HB SER 111 5.003 7.598 9.216 851 2HB SER 111 1HB SER 111 5.806 7.812 7.663 852 HG SER 111 HG SER 111 6.964 7.498 10.231 853 H LYS 112 H LYS 112 5.376 10.790 6.779 854 HA LYS 112 HA LYS 112 2.464 10.829 7.164 855 1HB LYS 112 2HB LYS 112 3.380 12.971 8.069 856 2HB LYS 112 1HB LYS 112 4.057 13.309 6.476 857 1HG LYS 112 2HG LYS 112 1.795 13.187 5.489 858 2HG LYS 112 1HG LYS 112 1.119 12.873 7.088 859 1HD LYS 112 2HD LYS 112 2.097 15.051 7.863 860 2HD LYS 112 1HD LYS 112 2.580 15.375 6.198 861 1HE LYS 112 2HE LYS 112 0.430 16.461 6.684 862 2HE LYS 112 1HE LYS 112 0.216 15.186 5.485 863 1HZ LYS 112 1HZ LYS 112 -1.435 15.233 7.366 864 2HZ LYS 112 2HZ LYS 112 -0.173 14.725 8.384 865 3HZ LYS 112 3HZ LYS 112 -0.671 13.743 7.090 866 H MET 113 H MET 113 1.494 10.188 5.346 867 HA MET 113 HA MET 113 2.795 10.765 2.762 868 1HB MET 113 2HB MET 113 1.613 8.093 3.552 869 2HB MET 113 1HB MET 113 2.308 8.501 1.982 870 1HG MET 113 2HG MET 113 4.147 7.516 2.989 871 2HG MET 113 1HG MET 113 4.396 9.194 3.470 872 1HE MET 113 1HE MET 113 3.201 5.596 5.981 873 2HE MET 113 2HE MET 113 3.988 5.661 4.407 874 3HE MET 113 3HE MET 113 2.271 6.036 4.542 875 H ASP 114 H ASP 114 1.304 10.430 0.910 876 HA ASP 114 HA ASP 114 -1.544 10.464 1.468 877 1HB ASP 114 2HB ASP 114 -0.584 12.856 1.778 878 2HB ASP 114 1HB ASP 114 -0.433 12.854 0.023 879 H ALA 115 H ALA 115 -2.787 10.752 -0.641 880 HA ALA 115 HA ALA 115 -1.236 9.584 -2.875 881 1HB ALA 115 1HB ALA 115 -4.105 9.001 -2.105 882 2HB ALA 115 2HB ALA 115 -2.734 7.917 -1.864 883 3HB ALA 115 3HB ALA 115 -3.257 8.329 -3.498 884 H LEU 116 H LEU 116 -0.908 11.510 -3.965 885 HA LEU 116 HA LEU 116 -3.209 13.198 -4.600 886 1HB LEU 116 2HB LEU 116 -0.431 13.629 -5.660 887 2HB LEU 116 1HB LEU 116 -1.673 14.821 -5.274 888 HG LEU 116 HG LEU 116 -0.101 13.148 -3.293 889 1HD1 LEU 116 1HD1 LEU 116 -0.238 16.158 -3.558 890 2HD1 LEU 116 2HD1 LEU 116 0.977 15.194 -4.398 891 3HD1 LEU 116 3HD1 LEU 116 0.920 15.201 -2.636 892 1HD2 LEU 116 1HD2 LEU 116 -2.445 15.033 -2.961 893 2HD2 LEU 116 2HD2 LEU 116 -1.359 14.638 -1.630 894 3HD2 LEU 116 3HD2 LEU 116 -2.307 13.367 -2.400 895 HA PRO 117 HA PRO 117 -3.817 11.422 -8.583 896 1HB PRO 117 2HB PRO 117 -4.958 13.509 -9.902 897 2HB PRO 117 1HB PRO 117 -5.799 12.610 -8.626 898 1HG PRO 117 2HG PRO 117 -4.449 15.260 -8.502 899 2HG PRO 117 1HG PRO 117 -5.955 14.719 -7.739 900 1HD PRO 117 2HD PRO 117 -3.550 14.894 -6.406 901 2HD PRO 117 1HD PRO 117 -4.863 13.792 -5.934 902 H LEU 118 H LEU 118 -2.574 11.085 -10.356 903 HA LEU 118 HA LEU 118 -0.150 12.386 -10.782 904 1HB LEU 118 2HB LEU 118 -1.784 10.955 -12.890 905 2HB LEU 118 1HB LEU 118 -0.037 11.198 -12.885 906 HG LEU 118 HG LEU 118 -1.388 9.783 -10.597 907 1HD1 LEU 118 1HD1 LEU 118 -0.345 8.477 -13.129 908 2HD1 LEU 118 2HD1 LEU 118 -2.054 8.672 -12.740 909 3HD1 LEU 118 3HD1 LEU 118 -1.030 7.655 -11.727 910 1HD2 LEU 118 1HD2 LEU 118 1.337 9.266 -11.775 911 2HD2 LEU 118 2HD2 LEU 118 0.776 8.994 -10.126 912 3HD2 LEU 118 3HD2 LEU 118 1.081 10.636 -10.694 913 H SER 119 H SER 119 0.295 14.360 -11.496 914 HA SER 119 HA SER 119 -1.757 15.856 -12.964 915 1HB SER 119 2HB SER 119 0.861 16.769 -11.751 916 2HB SER 119 1HB SER 119 -0.343 17.817 -12.496 917 HG SER 119 HG SER 119 -1.409 16.134 -10.637 918 H GLU 120 H GLU 120 -0.107 17.671 -14.289 919 HA GLU 120 HA GLU 120 0.393 16.315 -16.715 920 1HB GLU 120 2HB GLU 120 1.324 18.421 -17.494 921 2HB GLU 120 1HB GLU 120 -0.121 18.744 -16.536 922 1HG GLU 120 2HG GLU 120 1.383 19.104 -14.542 923 2HG GLU 120 1HG GLU 120 2.760 18.996 -15.637 924 H GLU 121 H GLU 121 2.445 17.157 -13.994 925 HA GLU 121 HA GLU 121 4.969 16.824 -15.135 926 1HB GLU 121 2HB GLU 121 4.020 16.155 -12.338 927 2HB GLU 121 1HB GLU 121 5.712 16.242 -12.827 928 1HG GLU 121 2HG GLU 121 5.370 18.596 -13.531 929 2HG GLU 121 1HG GLU 121 3.699 18.504 -12.979 930 H TYR 122 H TYR 122 2.704 14.423 -13.862 931 HA TYR 122 HA TYR 122 4.431 12.186 -14.026 932 1HB TYR 122 2HB TYR 122 2.455 11.947 -12.725 933 2HB TYR 122 1HB TYR 122 1.425 12.454 -14.065 934 HD1 TYR 122 1HD TYR 122 3.956 9.832 -13.180 935 HD2 TYR 122 2HD TYR 122 0.432 10.830 -15.422 936 HE1 TYR 122 1HE TYR 122 3.766 7.475 -13.929 937 HE2 TYR 122 2HE TYR 122 0.238 8.472 -16.167 938 HH TYR 122 HH TYR 122 1.368 6.496 -16.323 939 H ARG 123 H ARG 123 2.181 13.652 -16.332 940 HA ARG 123 HA ARG 123 2.306 11.679 -18.329 941 1HB ARG 123 2HB ARG 123 1.932 14.669 -18.639 942 2HB ARG 123 1HB ARG 123 1.549 13.453 -19.859 943 1HG ARG 123 2HG ARG 123 -0.001 12.379 -18.180 944 2HG ARG 123 1HG ARG 123 0.268 13.773 -17.132 945 1HD ARG 123 2HD ARG 123 -1.756 14.158 -18.410 946 2HD ARG 123 1HD ARG 123 -0.508 15.257 -18.992 947 HE ARG 123 HE ARG 123 -0.558 14.146 -21.033 948 1HH1 ARG 123 1HH2 ARG 123 -2.085 12.273 -18.555 949 2HH1 ARG 123 2HH2 ARG 123 -2.695 11.074 -19.645 950 1HH2 ARG 123 1HH1 ARG 123 -1.363 12.583 -22.470 951 2HH2 ARG 123 2HH1 ARG 123 -2.287 11.249 -21.862 952 H GLN 124 H GLN 124 4.329 14.527 -17.726 953 HA GLN 124 HA GLN 124 5.969 14.209 -20.034 954 1HB GLN 124 2HB GLN 124 6.240 15.735 -17.455 955 2HB GLN 124 1HB GLN 124 7.569 15.668 -18.614 956 1HG GLN 124 2HG GLN 124 6.071 17.649 -18.944 957 2HG GLN 124 1HG GLN 124 6.162 16.601 -20.360 958 1HE2 GLN 124 1HE2 GLN 124 3.994 18.072 -18.140 959 2HE2 GLN 124 2HE2 GLN 124 2.599 17.217 -18.592 960 H HIS 125 H HIS 125 6.155 13.051 -16.707 961 HA HIS 125 HA HIS 125 8.772 12.063 -16.704 962 1HB HIS 125 2HB HIS 125 7.602 12.108 -14.635 963 2HB HIS 125 1HB HIS 125 6.271 11.149 -15.282 964 HD1 HIS 125 1HD HIS 125 9.915 10.835 -14.293 965 HD2 HIS 125 2HD HIS 125 6.655 8.380 -15.150 966 HE1 HIS 125 1HE HIS 125 10.605 8.480 -13.663 967 HE2 HIS 125 2HE HIS 125 8.634 6.970 -14.193 968 H GLN 126 H GLN 126 5.836 10.786 -18.116 969 HA GLN 126 HA GLN 126 7.161 8.264 -18.810 970 1HB GLN 126 2HB GLN 126 4.315 9.196 -19.260 971 2HB GLN 126 1HB GLN 126 4.935 7.587 -19.629 972 1HG GLN 126 2HG GLN 126 5.172 8.773 -16.863 973 2HG GLN 126 1HG GLN 126 3.731 7.894 -17.369 974 1HE2 GLN 126 1HE2 GLN 126 5.535 6.957 -15.285 975 2HE2 GLN 126 2HE2 GLN 126 6.232 5.511 -15.835 976 H ALA 127 H ALA 127 6.121 11.281 -20.209 977 HA ALA 127 HA ALA 127 6.132 10.501 -22.937 978 1HB ALA 127 1HB ALA 127 6.846 13.267 -21.991 979 2HB ALA 127 2HB ALA 127 5.197 12.658 -21.847 980 3HB ALA 127 3HB ALA 127 5.953 12.789 -23.435 981 H GLU 128 H GLU 128 8.626 11.767 -20.771 982 HA GLU 128 HA GLU 128 10.644 12.171 -22.698 983 1HB GLU 128 2HB GLU 128 12.184 12.203 -20.838 984 2HB GLU 128 1HB GLU 128 10.696 13.005 -20.336 985 1HG GLU 128 2HG GLU 128 9.943 10.784 -19.376 986 2HG GLU 128 1HG GLU 128 11.571 10.182 -19.681 987 H LYS 129 H LYS 129 9.681 9.322 -20.844 988 HA LYS 129 HA LYS 129 11.853 7.658 -21.535 989 1HB LYS 129 2HB LYS 129 8.986 6.944 -20.871 990 2HB LYS 129 1HB LYS 129 10.322 5.794 -20.946 991 1HG LYS 129 2HG LYS 129 11.472 7.495 -19.283 992 2HG LYS 129 1HG LYS 129 9.806 7.969 -18.947 993 1HD LYS 129 2HD LYS 129 10.946 5.166 -18.737 994 2HD LYS 129 1HD LYS 129 10.482 6.208 -17.391 995 1HE LYS 129 2HE LYS 129 8.145 6.260 -18.359 996 2HE LYS 129 1HE LYS 129 8.661 5.014 -19.495 997 1HZ LYS 129 1HZ LYS 129 9.222 3.586 -17.650 998 2HZ LYS 129 2HZ LYS 129 7.602 4.078 -17.520 999 3HZ LYS 129 3HZ LYS 129 8.791 4.790 -16.536 1000 H ASP 130 H ASP 130 9.021 8.656 -23.284 1001 HA ASP 130 HA ASP 130 8.286 8.232 -25.418 1002 1HB ASP 130 2HB ASP 130 10.656 8.938 -25.892 1003 2HB ASP 130 1HB ASP 130 11.097 7.231 -25.905 1004 H LYS 131 H LYS 131 7.011 6.495 -24.332 1005 HA LYS 131 HA LYS 131 7.621 3.858 -24.040 1006 1HB LYS 131 2HB LYS 131 5.279 3.348 -24.501 1007 2HB LYS 131 1HB LYS 131 5.395 4.844 -23.573 1008 1HG LYS 131 2HG LYS 131 5.271 6.118 -25.736 1009 2HG LYS 131 1HG LYS 131 4.963 4.591 -26.562 1010 1HD LYS 131 2HD LYS 131 3.010 4.250 -24.973 1011 2HD LYS 131 1HD LYS 131 3.248 5.918 -24.451 1012 1HE LYS 131 2HE LYS 131 3.131 6.513 -26.968 1013 2HE LYS 131 1HE LYS 131 2.440 4.903 -27.174 1014 1HZ LYS 131 1HZ LYS 131 1.396 6.980 -25.326 1015 2HZ LYS 131 2HZ LYS 131 0.709 5.454 -25.615 1016 3HZ LYS 131 3HZ LYS 131 0.743 6.620 -26.850 Start of MODEL 17 1 H MET 1 1H MET 1 10.591 -31.845 14.041 2 HA MET 1 HA MET 1 10.902 -29.984 12.855 3 1HB MET 1 2HB MET 1 7.913 -29.919 13.365 4 2HB MET 1 1HB MET 1 8.726 -29.016 12.085 5 1HG MET 1 2HG MET 1 9.620 -31.165 11.187 6 2HG MET 1 1HG MET 1 8.692 -32.030 12.412 7 1HE MET 1 1HE MET 1 7.608 -33.450 10.699 8 2HE MET 1 2HE MET 1 8.376 -32.663 9.323 9 3HE MET 1 3HE MET 1 6.632 -32.909 9.327 10 H GLY 2 H GLY 2 8.661 -29.183 15.513 11 1HA GLY 2 2HA GLY 2 8.867 -27.508 17.118 12 2HA GLY 2 1HA GLY 2 10.334 -26.955 16.316 13 H CYS 3 H CYS 3 7.581 -27.447 14.319 14 HA CYS 3 HA CYS 3 6.658 -24.689 14.524 15 1HB CYS 3 2HB CYS 3 6.972 -24.407 12.011 16 2HB CYS 3 1HB CYS 3 8.437 -24.319 12.988 17 HG CYS 3 HG CYS 3 9.251 -26.477 12.013 18 H GLY 4 H GLY 4 4.727 -24.300 13.232 19 1HA GLY 4 2HA GLY 4 3.388 -26.668 12.146 20 2HA GLY 4 1HA GLY 4 2.623 -25.872 13.518 21 H ALA 5 H ALA 5 3.681 -23.228 12.547 22 HA ALA 5 HA ALA 5 2.874 -21.447 11.340 23 1HB ALA 5 1HB ALA 5 3.944 -22.715 9.490 24 2HB ALA 5 2HB ALA 5 2.530 -21.807 8.955 25 3HB ALA 5 3HB ALA 5 2.415 -23.549 9.209 26 H SER 6 H SER 6 1.043 -22.893 13.056 27 HA SER 6 HA SER 6 -1.483 -23.205 11.761 28 1HB SER 6 2HB SER 6 -2.378 -23.500 13.954 29 2HB SER 6 1HB SER 6 -0.780 -24.241 13.968 30 HG SER 6 HG SER 6 -0.125 -22.768 15.328 31 H SER 7 H SER 7 -3.406 -21.883 12.296 32 HA SER 7 HA SER 7 -4.522 -19.880 12.142 33 1HB SER 7 2HB SER 7 -2.316 -19.175 14.078 34 2HB SER 7 1HB SER 7 -3.612 -18.057 13.661 35 HG SER 7 HG SER 7 -4.618 -19.088 15.204 36 H GLU 8 H GLU 8 -4.351 -17.589 11.408 37 HA GLU 8 HA GLU 8 -2.208 -17.365 9.396 38 1HB GLU 8 2HB GLU 8 -3.695 -15.806 8.242 39 2HB GLU 8 1HB GLU 8 -4.540 -17.319 8.568 40 1HG GLU 8 2HG GLU 8 -5.479 -16.267 10.649 41 2HG GLU 8 1HG GLU 8 -4.762 -14.740 10.141 42 H ASN 9 H ASN 9 -1.480 -15.105 8.918 43 HA ASN 9 HA ASN 9 -1.556 -13.304 11.233 44 1HB ASN 9 2HB ASN 9 0.885 -13.060 11.236 45 2HB ASN 9 1HB ASN 9 0.425 -14.728 11.577 46 1HD2 ASN 9 1HD2 ASN 9 2.520 -15.498 10.737 47 2HD2 ASN 9 2HD2 ASN 9 2.822 -15.522 9.067 48 H SER 10 H SER 10 -0.146 -11.270 10.612 49 HA SER 10 HA SER 10 -1.377 -10.118 8.316 50 1HB SER 10 2HB SER 10 -0.211 -8.123 8.898 51 2HB SER 10 1HB SER 10 -0.630 -8.903 10.421 52 HG SER 10 HG SER 10 1.477 -9.746 10.490 53 H SER 11 H SER 11 -0.239 -9.158 6.491 54 HA SER 11 HA SER 11 2.421 -10.006 5.824 55 1HB SER 11 2HB SER 11 0.198 -11.209 4.169 56 2HB SER 11 1HB SER 11 1.929 -11.516 4.037 57 HG SER 11 HG SER 11 1.017 -13.176 5.210 58 H VAL 12 H VAL 12 1.984 -9.956 2.973 59 HA VAL 12 HA VAL 12 0.864 -7.280 2.498 60 HB VAL 12 HB VAL 12 3.601 -8.059 1.485 61 1HG1 VAL 12 1HG1 VAL 12 2.333 -5.328 1.770 62 2HG1 VAL 12 2HG1 VAL 12 2.156 -6.302 0.311 63 3HG1 VAL 12 3HG1 VAL 12 3.756 -5.770 0.827 64 1HG2 VAL 12 1HG2 VAL 12 4.349 -6.332 3.238 65 2HG2 VAL 12 2HG2 VAL 12 3.879 -7.918 3.849 66 3HG2 VAL 12 3HG2 VAL 12 2.763 -6.559 3.975 67 H THR 13 H THR 13 -0.140 -7.091 0.564 68 HA THR 13 HA THR 13 0.232 -9.276 -1.393 69 HB THR 13 HB THR 13 -2.418 -7.920 -0.961 70 HG1 THR 13 1HG THR 13 -2.009 -10.417 0.137 71 1HG2 THR 13 1HG2 THR 13 -1.631 -10.649 -2.016 72 2HG2 THR 13 2HG2 THR 13 -2.004 -9.250 -3.022 73 3HG2 THR 13 3HG2 THR 13 -3.255 -9.964 -2.004 74 H TYR 14 H TYR 14 0.362 -8.688 -3.506 75 HA TYR 14 HA TYR 14 0.286 -5.791 -4.074 76 1HB TYR 14 2HB TYR 14 1.739 -8.011 -5.536 77 2HB TYR 14 1HB TYR 14 1.792 -6.298 -5.953 78 HD1 TYR 14 1HD TYR 14 2.905 -8.872 -3.587 79 HD2 TYR 14 2HD TYR 14 2.915 -4.671 -4.483 80 HE1 TYR 14 1HE TYR 14 4.725 -8.524 -1.939 81 HE2 TYR 14 2HE TYR 14 4.735 -4.324 -2.835 82 HH TYR 14 HH TYR 14 6.598 -5.794 -1.819 83 H VAL 15 H VAL 15 -0.382 -5.211 -6.312 84 HA VAL 15 HA VAL 15 -2.292 -7.092 -7.515 85 HB VAL 15 HB VAL 15 -3.918 -5.980 -6.347 86 1HG1 VAL 15 1HG1 VAL 15 -3.684 -3.584 -5.646 87 2HG1 VAL 15 2HG1 VAL 15 -2.087 -3.561 -6.394 88 3HG1 VAL 15 3HG1 VAL 15 -2.401 -4.618 -5.017 89 1HG2 VAL 15 1HG2 VAL 15 -4.973 -4.372 -7.762 90 2HG2 VAL 15 2HG2 VAL 15 -4.068 -5.425 -8.849 91 3HG2 VAL 15 3HG2 VAL 15 -3.430 -3.835 -8.427 92 H ASN 16 H ASN 16 -0.957 -3.790 -7.740 93 HA ASN 16 HA ASN 16 -1.238 -3.764 -10.618 94 1HB ASN 16 2HB ASN 16 0.126 -1.824 -8.737 95 2HB ASN 16 1HB ASN 16 -0.165 -1.546 -10.454 96 1HD2 ASN 16 1HD2 ASN 16 -1.364 -0.519 -7.644 97 2HD2 ASN 16 2HD2 ASN 16 -3.021 -0.443 -8.000 98 H GLY 17 H GLY 17 0.843 -5.343 -8.677 99 1HA GLY 17 2HA GLY 17 2.578 -6.564 -10.048 100 2HA GLY 17 1HA GLY 17 3.147 -4.958 -10.494 101 H ARG 18 H ARG 18 4.867 -6.761 -9.314 102 HA ARG 18 HA ARG 18 5.038 -6.062 -6.474 103 1HB ARG 18 2HB ARG 18 7.077 -7.733 -7.897 104 2HB ARG 18 1HB ARG 18 6.494 -7.851 -6.236 105 1HG ARG 18 2HG ARG 18 4.945 -8.587 -8.737 106 2HG ARG 18 1HG ARG 18 5.596 -9.711 -7.543 107 1HD ARG 18 2HD ARG 18 4.180 -8.312 -5.842 108 2HD ARG 18 1HD ARG 18 3.298 -7.792 -7.275 109 HE ARG 18 HE ARG 18 2.308 -9.880 -7.318 110 1HH1 ARG 18 1HH2 ARG 18 5.288 -9.987 -5.563 111 2HH1 ARG 18 2HH2 ARG 18 5.106 -11.642 -5.084 112 1HH2 ARG 18 1HH1 ARG 18 2.063 -12.051 -6.694 113 2HH2 ARG 18 2HH1 ARG 18 3.281 -12.810 -5.725 114 HA PRO 19 HA PRO 19 7.714 -2.599 -6.934 115 1HB PRO 19 2HB PRO 19 9.224 -3.953 -4.730 116 2HB PRO 19 1HB PRO 19 8.678 -2.270 -4.853 117 1HG PRO 19 2HG PRO 19 7.407 -4.064 -3.332 118 2HG PRO 19 1HG PRO 19 6.550 -2.767 -4.180 119 1HD PRO 19 2HD PRO 19 6.563 -5.674 -4.746 120 2HD PRO 19 1HD PRO 19 5.366 -4.442 -5.198 121 H THR 20 H THR 20 9.704 -2.093 -7.866 122 HA THR 20 HA THR 20 11.066 -4.211 -9.249 123 HB THR 20 HB THR 20 11.844 -1.297 -8.982 124 HG1 THR 20 1HG THR 20 10.606 -0.983 -10.762 125 1HG2 THR 20 1HG2 THR 20 13.669 -2.661 -9.811 126 2HG2 THR 20 2HG2 THR 20 12.977 -1.771 -11.168 127 3HG2 THR 20 3HG2 THR 20 12.594 -3.478 -10.946 128 H PHE 21 H PHE 21 11.576 -2.396 -6.315 129 HA PHE 21 HA PHE 21 14.304 -3.427 -6.017 130 1HB PHE 21 2HB PHE 21 13.876 -1.073 -5.439 131 2HB PHE 21 1HB PHE 21 12.688 -1.583 -4.239 132 HD1 PHE 21 1HD PHE 21 13.393 -1.843 -2.036 133 HD2 PHE 21 2HD PHE 21 16.245 -2.284 -5.217 134 HE1 PHE 21 1HE PHE 21 15.205 -2.151 -0.370 135 HE2 PHE 21 2HE PHE 21 18.057 -2.592 -3.551 136 HZ PHE 21 HZ PHE 21 17.536 -2.525 -1.127 137 H VAL 22 H VAL 22 14.906 -4.909 -4.482 138 HA VAL 22 HA VAL 22 12.701 -6.367 -3.179 139 HB VAL 22 HB VAL 22 15.007 -7.877 -2.868 140 1HG1 VAL 22 1HG1 VAL 22 13.984 -9.295 -4.619 141 2HG1 VAL 22 2HG1 VAL 22 12.937 -7.955 -5.086 142 3HG1 VAL 22 3HG1 VAL 22 12.768 -8.692 -3.493 143 1HG2 VAL 22 1HG2 VAL 22 16.147 -6.270 -4.422 144 2HG2 VAL 22 2HG2 VAL 22 14.959 -6.684 -5.658 145 3HG2 VAL 22 3HG2 VAL 22 16.073 -7.913 -5.059 146 H GLY 23 H GLY 23 13.039 -7.174 -1.004 147 1HA GLY 23 2HA GLY 23 15.165 -6.108 0.621 148 2HA GLY 23 1HA GLY 23 13.621 -5.308 0.901 149 H GLU 24 H GLU 24 13.226 -6.075 2.949 150 HA GLU 24 HA GLU 24 12.562 -8.937 3.120 151 1HB GLU 24 2HB GLU 24 14.828 -8.565 4.114 152 2HB GLU 24 1HB GLU 24 14.092 -7.454 5.268 153 1HG GLU 24 2HG GLU 24 12.621 -9.255 6.078 154 2HG GLU 24 1HG GLU 24 13.339 -10.370 4.918 155 H GLU 25 H GLU 25 12.618 -6.108 5.299 156 HA GLU 25 HA GLU 25 10.028 -6.767 6.375 157 1HB GLU 25 2HB GLU 25 11.740 -5.698 7.772 158 2HB GLU 25 1HB GLU 25 11.730 -4.285 6.717 159 1HG GLU 25 2HG GLU 25 9.384 -3.859 7.253 160 2HG GLU 25 1HG GLU 25 9.320 -5.319 8.238 161 H VAL 26 H VAL 26 8.224 -6.432 5.248 162 HA VAL 26 HA VAL 26 7.977 -3.912 3.722 163 HB VAL 26 HB VAL 26 6.659 -6.493 2.893 164 1HG1 VAL 26 1HG1 VAL 26 5.743 -4.371 2.016 165 2HG1 VAL 26 2HG1 VAL 26 6.506 -5.311 0.733 166 3HG1 VAL 26 3HG1 VAL 26 7.345 -3.925 1.429 167 1HG2 VAL 26 1HG2 VAL 26 9.379 -5.387 2.146 168 2HG2 VAL 26 2HG2 VAL 26 8.522 -6.570 1.159 169 3HG2 VAL 26 3HG2 VAL 26 9.011 -6.981 2.803 170 H THR 27 H THR 27 6.240 -2.719 4.205 171 HA THR 27 HA THR 27 3.859 -3.987 5.345 172 HB THR 27 HB THR 27 5.132 -3.432 7.331 173 HG1 THR 27 1HG THR 27 3.135 -2.919 7.824 174 1HG2 THR 27 1HG2 THR 27 6.681 -1.815 6.380 175 2HG2 THR 27 2HG2 THR 27 5.830 -1.067 7.732 176 3HG2 THR 27 3HG2 THR 27 5.361 -0.685 6.075 177 H LYS 28 H LYS 28 2.003 -2.528 5.386 178 HA LYS 28 HA LYS 28 2.137 -0.638 3.140 179 1HB LYS 28 2HB LYS 28 -0.351 -0.776 3.213 180 2HB LYS 28 1HB LYS 28 0.417 -2.345 2.967 181 1HG LYS 28 2HG LYS 28 0.256 -2.735 5.448 182 2HG LYS 28 1HG LYS 28 -0.686 -1.248 5.567 183 1HD LYS 28 2HD LYS 28 -2.341 -2.183 3.976 184 2HD LYS 28 1HD LYS 28 -1.414 -3.682 3.912 185 1HE LYS 28 2HE LYS 28 -1.868 -4.191 6.185 186 2HE LYS 28 1HE LYS 28 -2.409 -2.548 6.528 187 1HZ LYS 28 1HZ LYS 28 -4.361 -2.871 5.286 188 2HZ LYS 28 2HZ LYS 28 -4.199 -4.272 6.234 189 3HZ LYS 28 3HZ LYS 28 -3.790 -4.305 4.586 190 H GLY 29 H GLY 29 1.850 1.505 3.376 191 1HA GLY 29 2HA GLY 29 2.012 2.723 5.929 192 2HA GLY 29 1HA GLY 29 1.676 3.553 4.412 193 H PHE 30 H PHE 30 -0.622 3.076 3.543 194 HA PHE 30 HA PHE 30 -2.488 3.839 5.614 195 1HB PHE 30 2HB PHE 30 -2.696 3.455 2.632 196 2HB PHE 30 1HB PHE 30 -4.118 3.766 3.629 197 HD1 PHE 30 1HD PHE 30 -1.493 5.273 1.795 198 HD2 PHE 30 2HD PHE 30 -3.884 5.783 5.327 199 HE1 PHE 30 1HE PHE 30 -0.957 7.695 1.809 200 HE2 PHE 30 2HE PHE 30 -3.347 8.204 5.341 201 HZ PHE 30 HZ PHE 30 -1.884 9.160 3.582 202 H GLU 31 H GLU 31 -4.278 2.685 6.318 203 HA GLU 31 HA GLU 31 -4.025 -0.212 6.128 204 1HB GLU 31 2HB GLU 31 -5.944 1.504 7.723 205 2HB GLU 31 1HB GLU 31 -5.754 -0.243 7.875 206 1HG GLU 31 2HG GLU 31 -3.524 1.764 8.311 207 2HG GLU 31 1HG GLU 31 -4.472 1.031 9.604 208 H LYS 32 H LYS 32 -5.251 1.899 4.082 209 HA LYS 32 HA LYS 32 -7.835 0.566 3.650 210 1HB LYS 32 2HB LYS 32 -6.664 2.974 2.238 211 2HB LYS 32 1HB LYS 32 -8.323 2.384 2.119 212 1HG LYS 32 2HG LYS 32 -7.038 3.277 4.714 213 2HG LYS 32 1HG LYS 32 -8.043 4.319 3.707 214 1HD LYS 32 2HD LYS 32 -9.815 2.450 3.863 215 2HD LYS 32 1HD LYS 32 -8.844 1.818 5.194 216 1HE LYS 32 2HE LYS 32 -10.519 3.261 6.155 217 2HE LYS 32 1HE LYS 32 -8.975 4.107 6.258 218 1HZ LYS 32 1HZ LYS 32 -11.284 4.649 4.545 219 2HZ LYS 32 2HZ LYS 32 -9.739 4.984 3.922 220 3HZ LYS 32 3HZ LYS 32 -10.261 5.732 5.356 221 H ASP 33 H ASP 33 -8.404 -0.181 1.512 222 HA ASP 33 HA ASP 33 -8.006 -1.562 -0.286 223 1HB ASP 33 2HB ASP 33 -5.875 0.550 -0.657 224 2HB ASP 33 1HB ASP 33 -6.239 -0.683 -1.863 225 H ASN 34 H ASN 34 -5.782 -2.441 -1.579 226 HA ASN 34 HA ASN 34 -4.856 -4.535 -0.009 227 1HB ASN 34 2HB ASN 34 -3.522 -3.217 -2.385 228 2HB ASN 34 1HB ASN 34 -3.063 -4.782 -1.715 229 1HD2 ASN 34 1HD2 ASN 34 -6.358 -4.567 -1.274 230 2HD2 ASN 34 2HD2 ASN 34 -6.875 -5.331 -2.699 231 H GLY 35 H GLY 35 -3.588 -1.280 -0.383 232 1HA GLY 35 2HA GLY 35 -2.370 -0.942 2.000 233 2HA GLY 35 1HA GLY 35 -1.159 -1.850 1.098 234 H LEU 36 H LEU 36 -2.335 -0.474 -1.401 235 HA LEU 36 HA LEU 36 -1.798 1.328 -2.718 236 1HB LEU 36 2HB LEU 36 -1.622 2.886 -0.134 237 2HB LEU 36 1HB LEU 36 -1.970 3.511 -1.746 238 HG LEU 36 HG LEU 36 -3.714 1.591 -0.174 239 1HD1 LEU 36 1HD1 LEU 36 -4.308 4.431 -1.038 240 2HD1 LEU 36 2HD1 LEU 36 -3.637 4.038 0.546 241 3HD1 LEU 36 3HD1 LEU 36 -5.227 3.429 0.086 242 1HD2 LEU 36 1HD2 LEU 36 -5.311 2.269 -2.132 243 2HD2 LEU 36 2HD2 LEU 36 -4.085 1.036 -2.427 244 3HD2 LEU 36 3HD2 LEU 36 -3.821 2.691 -2.977 245 H LEU 37 H LEU 37 0.033 2.317 0.157 246 HA LEU 37 HA LEU 37 2.485 2.232 -1.483 247 1HB LEU 37 2HB LEU 37 1.907 4.434 -0.557 248 2HB LEU 37 1HB LEU 37 1.905 3.754 1.071 249 HG LEU 37 HG LEU 37 4.282 3.123 0.804 250 1HD1 LEU 37 1HD1 LEU 37 5.360 4.407 -1.259 251 2HD1 LEU 37 2HD1 LEU 37 3.754 4.172 -1.949 252 3HD1 LEU 37 3HD1 LEU 37 4.711 2.778 -1.447 253 1HD2 LEU 37 1HD2 LEU 37 5.189 5.490 0.676 254 2HD2 LEU 37 2HD2 LEU 37 3.867 5.268 1.822 255 3HD2 LEU 37 3HD2 LEU 37 3.560 6.015 0.254 256 H PHE 38 H PHE 38 4.076 0.853 -0.995 257 HA PHE 38 HA PHE 38 3.869 -0.658 1.537 258 1HB PHE 38 2HB PHE 38 5.184 -1.449 -1.073 259 2HB PHE 38 1HB PHE 38 5.117 -2.439 0.386 260 HD1 PHE 38 1HD PHE 38 3.367 -1.394 -2.594 261 HD2 PHE 38 2HD PHE 38 2.834 -3.089 1.317 262 HE1 PHE 38 1HE PHE 38 1.129 -2.227 -3.260 263 HE2 PHE 38 2HE PHE 38 0.595 -3.922 0.651 264 HZ PHE 38 HZ PHE 38 -0.258 -3.491 -1.638 265 H ARG 39 H ARG 39 5.462 -0.471 2.985 266 HA ARG 39 HA ARG 39 7.748 1.225 2.341 267 1HB ARG 39 2HB ARG 39 6.289 1.295 4.506 268 2HB ARG 39 1HB ARG 39 7.293 -0.063 5.013 269 1HG ARG 39 2HG ARG 39 9.322 1.281 4.622 270 2HG ARG 39 1HG ARG 39 8.323 2.643 4.111 271 1HD ARG 39 2HD ARG 39 8.910 2.995 6.426 272 2HD ARG 39 1HD ARG 39 7.202 2.571 6.361 273 HE ARG 39 HE ARG 39 8.965 0.308 6.770 274 1HH1 ARG 39 1HH2 ARG 39 7.150 2.883 8.202 275 2HH1 ARG 39 2HH2 ARG 39 6.994 2.102 9.740 276 1HH2 ARG 39 1HH1 ARG 39 8.763 -0.723 8.783 277 2HH2 ARG 39 2HH1 ARG 39 7.906 0.060 10.069 278 H ILE 40 H ILE 40 9.291 0.144 1.240 279 HA ILE 40 HA ILE 40 10.029 -2.571 2.072 280 HB ILE 40 HB ILE 40 11.089 -0.946 -0.249 281 1HG1 ILE 40 2HG1 ILE 40 8.897 -3.046 -0.227 282 2HG1 ILE 40 1HG1 ILE 40 8.608 -1.310 -0.342 283 1HG2 ILE 40 1HG2 ILE 40 12.515 -2.824 0.431 284 2HG2 ILE 40 2HG2 ILE 40 11.720 -3.193 -1.099 285 3HG2 ILE 40 3HG2 ILE 40 11.127 -3.910 0.399 286 1HD1 ILE 40 1HD1 ILE 40 9.998 -3.107 -2.330 287 2HD1 ILE 40 2HD1 ILE 40 10.208 -1.356 -2.362 288 3HD1 ILE 40 3HD1 ILE 40 8.605 -2.057 -2.593 289 H VAL 41 H VAL 41 11.728 -2.949 3.341 290 HA VAL 41 HA VAL 41 13.863 -0.917 3.502 291 HB VAL 41 HB VAL 41 12.592 -2.348 5.850 292 1HG1 VAL 41 1HG1 VAL 41 14.881 -2.061 6.382 293 2HG1 VAL 41 2HG1 VAL 41 14.098 -0.646 7.083 294 3HG1 VAL 41 3HG1 VAL 41 14.966 -0.507 5.554 295 1HG2 VAL 41 1HG2 VAL 41 11.749 -0.170 6.479 296 2HG2 VAL 41 2HG2 VAL 41 11.268 -0.462 4.808 297 3HG2 VAL 41 3HG2 VAL 41 12.627 0.605 5.160 298 H ASN 42 H ASN 42 15.871 -1.729 3.390 299 HA ASN 42 HA ASN 42 16.172 -4.666 3.531 300 1HB ASN 42 2HB ASN 42 16.715 -3.245 1.383 301 2HB ASN 42 1HB ASN 42 18.205 -2.880 2.250 302 1HD2 ASN 42 1HD2 ASN 42 16.283 -5.927 2.162 303 2HD2 ASN 42 2HD2 ASN 42 17.561 -6.886 1.589 304 H LYS 43 H LYS 43 16.762 -5.092 5.595 305 HA LYS 43 HA LYS 43 18.210 -3.448 7.319 306 1HB LYS 43 2HB LYS 43 18.017 -6.465 7.220 307 2HB LYS 43 1HB LYS 43 18.718 -5.563 8.563 308 1HG LYS 43 2HG LYS 43 16.506 -4.269 8.648 309 2HG LYS 43 1HG LYS 43 15.860 -5.518 7.583 310 1HD LYS 43 2HD LYS 43 17.174 -6.054 10.263 311 2HD LYS 43 1HD LYS 43 15.432 -6.006 9.992 312 1HE LYS 43 2HE LYS 43 15.921 -8.297 9.812 313 2HE LYS 43 1HE LYS 43 15.909 -7.765 8.130 314 1HZ LYS 43 1HZ LYS 43 17.994 -8.966 9.513 315 2HZ LYS 43 2HZ LYS 43 18.469 -7.359 9.233 316 3HZ LYS 43 3HZ LYS 43 18.018 -8.354 7.932 317 H LYS 44 H LYS 44 19.307 -5.591 4.786 318 HA LYS 44 HA LYS 44 21.966 -5.983 5.496 319 1HB LYS 44 2HB LYS 44 20.750 -6.973 3.511 320 2HB LYS 44 1HB LYS 44 21.010 -5.439 2.681 321 1HG LYS 44 2HG LYS 44 23.428 -5.668 2.925 322 2HG LYS 44 1HG LYS 44 23.217 -7.149 3.862 323 1HD LYS 44 2HD LYS 44 23.644 -7.991 1.722 324 2HD LYS 44 1HD LYS 44 21.880 -7.972 1.762 325 1HE LYS 44 2HE LYS 44 22.746 -6.989 -0.339 326 2HE LYS 44 1HE LYS 44 21.860 -5.799 0.613 327 1HZ LYS 44 1HZ LYS 44 23.665 -4.543 0.629 328 2HZ LYS 44 2HZ LYS 44 24.534 -5.715 -0.241 329 3HZ LYS 44 3HZ LYS 44 24.516 -5.753 1.457 330 H LYS 45 H LYS 45 20.636 -3.359 3.469 331 HA LYS 45 HA LYS 45 23.092 -1.810 3.999 332 1HB LYS 45 2HB LYS 45 21.014 -1.530 1.816 333 2HB LYS 45 1HB LYS 45 22.399 -0.458 2.030 334 1HG LYS 45 2HG LYS 45 23.904 -2.452 1.835 335 2HG LYS 45 1HG LYS 45 22.488 -3.436 1.466 336 1HD LYS 45 2HD LYS 45 21.997 -1.929 -0.466 337 2HD LYS 45 1HD LYS 45 23.499 -1.066 -0.131 338 1HE LYS 45 2HE LYS 45 24.667 -3.341 -0.309 339 2HE LYS 45 1HE LYS 45 23.161 -3.940 -1.003 340 1HZ LYS 45 1HZ LYS 45 25.138 -2.780 -2.406 341 2HZ LYS 45 2HZ LYS 45 24.099 -1.461 -2.143 342 3HZ LYS 45 3HZ LYS 45 23.521 -2.863 -2.912 343 H LYS 46 H LYS 46 20.018 -2.143 5.127 344 HA LYS 46 HA LYS 46 18.587 -0.819 6.341 345 1HB LYS 46 2HB LYS 46 21.296 0.095 6.919 346 2HB LYS 46 1HB LYS 46 20.096 1.370 7.138 347 1HG LYS 46 2HG LYS 46 19.650 -1.397 8.252 348 2HG LYS 46 1HG LYS 46 20.566 -0.188 9.151 349 1HD LYS 46 2HD LYS 46 18.721 1.207 9.426 350 2HD LYS 46 1HD LYS 46 17.892 0.555 8.012 351 1HE LYS 46 2HE LYS 46 18.333 -0.905 10.633 352 2HE LYS 46 1HE LYS 46 16.804 -0.223 10.076 353 1HZ LYS 46 1HZ LYS 46 16.597 -2.372 9.381 354 2HZ LYS 46 2HZ LYS 46 18.259 -2.574 9.100 355 3HZ LYS 46 3HZ LYS 46 17.310 -1.694 8.000 356 H GLN 47 H GLN 47 18.930 -0.313 3.442 357 HA GLN 47 HA GLN 47 18.408 2.573 3.262 358 1HB GLN 47 2HB GLN 47 18.552 2.231 0.828 359 2HB GLN 47 1HB GLN 47 19.989 1.615 1.644 360 1HG GLN 47 2HG GLN 47 18.788 -0.658 1.681 361 2HG GLN 47 1HG GLN 47 17.671 0.046 0.514 362 1HE2 GLN 47 1HE2 GLN 47 20.405 1.657 -0.214 363 2HE2 GLN 47 2HE2 GLN 47 21.099 0.599 -1.345 364 H TRP 48 H TRP 48 16.397 3.330 3.188 365 HA TRP 48 HA TRP 48 14.155 1.496 3.062 366 1HB TRP 48 2HB TRP 48 14.371 4.486 3.439 367 2HB TRP 48 1HB TRP 48 12.826 3.640 3.341 368 HD1 TRP 48 HD TRP 48 15.537 1.658 4.966 369 HE1 TRP 48 1HE TRP 48 15.157 1.565 7.515 370 HE3 TRP 48 3HE TRP 48 11.865 5.175 5.439 371 HZ2 TRP 48 2HZ TRP 48 13.512 2.817 9.491 372 HZ3 TRP 48 3HZ TRP 48 10.910 5.704 7.663 373 HH2 TRP 48 HH TRP 48 11.728 4.532 9.689 374 H ALA 49 H ALA 49 12.531 1.488 1.501 375 HA ALA 49 HA ALA 49 12.934 3.097 -0.921 376 1HB ALA 49 1HB ALA 49 14.060 1.219 -1.697 377 2HB ALA 49 2HB ALA 49 12.406 0.858 -2.191 378 3HB ALA 49 3HB ALA 49 13.077 0.108 -0.744 379 H TYR 50 H TYR 50 11.051 3.458 -2.101 380 HA TYR 50 HA TYR 50 8.566 2.397 -0.899 381 1HB TYR 50 2HB TYR 50 9.282 5.196 -1.722 382 2HB TYR 50 1HB TYR 50 7.599 4.667 -1.718 383 HD1 TYR 50 1HD TYR 50 6.716 3.533 0.440 384 HD2 TYR 50 2HD TYR 50 10.308 5.884 0.279 385 HE1 TYR 50 1HE TYR 50 6.619 3.851 2.897 386 HE2 TYR 50 2HE TYR 50 10.211 6.201 2.737 387 HH TYR 50 HH TYR 50 7.438 5.134 4.617 388 H TYR 51 H TYR 51 7.001 1.703 -2.276 389 HA TYR 51 HA TYR 51 7.493 2.027 -5.173 390 1HB TYR 51 2HB TYR 51 8.130 -0.224 -4.666 391 2HB TYR 51 1HB TYR 51 6.700 -0.468 -3.663 392 HD1 TYR 51 1HD TYR 51 7.720 0.385 -7.164 393 HD2 TYR 51 2HD TYR 51 4.741 -1.355 -4.604 394 HE1 TYR 51 1HE TYR 51 6.450 -0.372 -9.155 395 HE2 TYR 51 2HE TYR 51 3.471 -2.112 -6.595 396 HH TYR 51 HH TYR 51 4.089 -0.967 -9.711 397 H ASN 52 H ASN 52 5.804 2.801 -6.276 398 HA ASN 52 HA ASN 52 3.256 3.132 -4.863 399 1HB ASN 52 2HB ASN 52 4.104 5.145 -5.856 400 2HB ASN 52 1HB ASN 52 4.363 4.339 -7.403 401 1HD2 ASN 52 1HD2 ASN 52 2.112 6.188 -5.611 402 2HD2 ASN 52 2HD2 ASN 52 0.760 5.929 -6.604 403 H ASP 53 H ASP 53 1.576 1.852 -5.244 404 HA ASP 53 HA ASP 53 1.654 0.043 -7.556 405 1HB ASP 53 2HB ASP 53 -0.074 -1.216 -6.402 406 2HB ASP 53 1HB ASP 53 1.252 -0.895 -5.285 407 H THR 54 H THR 54 -0.323 2.567 -6.077 408 HA THR 54 HA THR 54 -2.573 2.382 -7.750 409 HB THR 54 HB THR 54 -2.820 4.867 -7.170 410 HG1 THR 54 1HG THR 54 -0.963 5.661 -6.582 411 1HG2 THR 54 1HG2 THR 54 -2.392 2.907 -4.899 412 2HG2 THR 54 2HG2 THR 54 -3.849 2.998 -5.889 413 3HG2 THR 54 3HG2 THR 54 -3.400 4.354 -4.854 414 H THR 55 H THR 55 -2.693 2.608 -9.882 415 HA THR 55 HA THR 55 -0.575 3.985 -11.337 416 HB THR 55 HB THR 55 -1.668 3.083 -13.336 417 HG1 THR 55 1HG THR 55 -3.510 1.697 -12.934 418 1HG2 THR 55 1HG2 THR 55 -1.553 0.988 -11.153 419 2HG2 THR 55 2HG2 THR 55 -0.129 1.664 -11.946 420 3HG2 THR 55 3HG2 THR 55 -1.302 0.735 -12.880 421 H GLN 56 H GLN 56 -3.240 5.004 -9.778 422 HA GLN 56 HA GLN 56 -3.959 7.003 -11.833 423 1HB GLN 56 2HB GLN 56 -5.836 5.635 -11.004 424 2HB GLN 56 1HB GLN 56 -5.485 6.159 -9.356 425 1HG GLN 56 2HG GLN 56 -5.916 8.486 -9.967 426 2HG GLN 56 1HG GLN 56 -6.173 8.021 -11.648 427 1HE2 GLN 56 1HE2 GLN 56 -7.468 5.469 -10.082 428 2HE2 GLN 56 2HE2 GLN 56 -9.065 6.008 -9.879 429 H TYR 57 H TYR 57 -3.195 6.600 -8.387 430 HA TYR 57 HA TYR 57 -2.567 9.489 -8.272 431 1HB TYR 57 2HB TYR 57 -3.007 7.909 -5.783 432 2HB TYR 57 1HB TYR 57 -3.382 9.598 -6.125 433 HD1 TYR 57 1HD TYR 57 -4.567 6.144 -6.305 434 HD2 TYR 57 2HD TYR 57 -5.383 10.197 -7.470 435 HE1 TYR 57 1HE TYR 57 -6.903 5.517 -6.850 436 HE2 TYR 57 2HE TYR 57 -7.720 9.570 -8.016 437 HH TYR 57 HH TYR 57 -8.981 7.536 -8.624 438 H GLU 58 H GLU 58 -0.640 10.141 -7.339 439 HA GLU 58 HA GLU 58 1.436 8.083 -7.192 440 1HB GLU 58 2HB GLU 58 2.965 10.077 -7.025 441 2HB GLU 58 1HB GLU 58 2.009 10.014 -8.506 442 1HG GLU 58 2HG GLU 58 0.934 11.481 -6.117 443 2HG GLU 58 1HG GLU 58 2.141 12.258 -7.142 444 H MET 59 H MET 59 2.783 7.803 -5.389 445 HA MET 59 HA MET 59 1.502 8.524 -2.847 446 1HB MET 59 2HB MET 59 3.410 6.383 -3.717 447 2HB MET 59 1HB MET 59 3.348 6.850 -2.017 448 1HG MET 59 2HG MET 59 1.775 4.942 -2.824 449 2HG MET 59 1HG MET 59 1.097 6.202 -1.793 450 1HE MET 59 1HE MET 59 -0.975 4.450 -3.633 451 2HE MET 59 2HE MET 59 -1.987 5.884 -3.791 452 3HE MET 59 3HE MET 59 -1.086 5.610 -2.301 453 H HIS 60 H HIS 60 2.231 10.247 -1.795 454 HA HIS 60 HA HIS 60 4.969 11.194 -2.284 455 1HB HIS 60 2HB HIS 60 2.522 12.466 -1.060 456 2HB HIS 60 1HB HIS 60 4.121 13.197 -0.932 457 HD1 HIS 60 1HD HIS 60 4.597 14.812 -2.758 458 HD2 HIS 60 2HD HIS 60 2.005 11.805 -4.029 459 HE1 HIS 60 1HE HIS 60 4.024 15.333 -5.170 460 HE2 HIS 60 2HE HIS 60 2.444 13.508 -5.959 461 H VAL 61 H VAL 61 6.543 10.877 -0.842 462 HA VAL 61 HA VAL 61 5.809 9.789 1.794 463 HB VAL 61 HB VAL 61 8.367 9.674 0.189 464 1HG1 VAL 61 1HG1 VAL 61 9.078 9.903 2.456 465 2HG1 VAL 61 2HG1 VAL 61 9.100 8.169 2.130 466 3HG1 VAL 61 3HG1 VAL 61 7.770 8.878 3.047 467 1HG2 VAL 61 1HG2 VAL 61 6.647 7.432 1.272 468 2HG2 VAL 61 2HG2 VAL 61 7.903 7.336 0.038 469 3HG2 VAL 61 3HG2 VAL 61 6.376 8.142 -0.319 470 H LEU 62 H LEU 62 6.152 10.912 3.604 471 HA LEU 62 HA LEU 62 8.121 13.088 3.620 472 1HB LEU 62 2HB LEU 62 5.935 14.119 3.058 473 2HB LEU 62 1HB LEU 62 5.257 13.443 4.539 474 HG LEU 62 HG LEU 62 7.105 14.652 5.799 475 1HD1 LEU 62 1HD1 LEU 62 7.900 16.715 4.393 476 2HD1 LEU 62 2HD1 LEU 62 7.531 15.689 3.008 477 3HD1 LEU 62 3HD1 LEU 62 8.729 15.172 4.193 478 1HD2 LEU 62 1HD2 LEU 62 5.060 16.223 4.203 479 2HD2 LEU 62 2HD2 LEU 62 5.965 16.893 5.560 480 3HD2 LEU 62 3HD2 LEU 62 4.854 15.547 5.819 481 H VAL 63 H VAL 63 9.395 11.843 5.004 482 HA VAL 63 HA VAL 63 8.209 11.239 7.645 483 HB VAL 63 HB VAL 63 10.635 9.993 6.330 484 1HG1 VAL 63 1HG1 VAL 63 10.761 10.017 8.782 485 2HG1 VAL 63 2HG1 VAL 63 10.449 8.380 8.208 486 3HG1 VAL 63 3HG1 VAL 63 9.136 9.342 8.887 487 1HG2 VAL 63 1HG2 VAL 63 8.273 9.506 5.378 488 2HG2 VAL 63 2HG2 VAL 63 7.985 8.663 6.901 489 3HG2 VAL 63 3HG2 VAL 63 9.274 8.124 5.824 490 H THR 64 H THR 64 8.972 12.284 9.372 491 HA THR 64 HA THR 64 11.396 13.937 9.036 492 HB THR 64 HB THR 64 9.094 14.226 10.982 493 HG1 THR 64 1HG THR 64 8.335 15.075 9.195 494 1HG2 THR 64 1HG2 THR 64 11.685 15.724 10.603 495 2HG2 THR 64 2HG2 THR 64 11.007 15.066 12.093 496 3HG2 THR 64 3HG2 THR 64 10.279 16.488 11.344 497 H PHE 65 H PHE 65 13.126 13.619 10.330 498 HA PHE 65 HA PHE 65 12.856 11.604 12.480 499 1HB PHE 65 2HB PHE 65 15.479 12.135 11.145 500 2HB PHE 65 1HB PHE 65 14.876 10.652 11.888 501 HD1 PHE 65 1HD PHE 65 14.580 12.868 8.921 502 HD2 PHE 65 2HD PHE 65 13.615 9.049 10.634 503 HE1 PHE 65 1HE PHE 65 13.815 12.066 6.702 504 HE2 PHE 65 2HE PHE 65 12.850 8.247 8.416 505 HZ PHE 65 HZ PHE 65 12.949 9.755 6.450 506 H ASN 66 H ASN 66 14.536 11.812 14.200 507 HA ASN 66 HA ASN 66 14.602 14.544 15.150 508 1HB ASN 66 2HB ASN 66 14.187 12.498 16.596 509 2HB ASN 66 1HB ASN 66 15.903 12.133 16.420 510 1HD2 ASN 66 1HD2 ASN 66 17.112 12.930 18.135 511 2HD2 ASN 66 2HD2 ASN 66 16.757 14.343 19.006 512 H GLU 67 H GLU 67 16.525 15.658 15.795 513 HA GLU 67 HA GLU 67 18.503 15.900 13.903 514 1HB GLU 67 2HB GLU 67 18.328 17.608 15.539 515 2HB GLU 67 1HB GLU 67 18.547 16.468 16.866 516 1HG GLU 67 2HG GLU 67 20.844 16.174 16.388 517 2HG GLU 67 1HG GLU 67 20.684 16.864 14.774 518 H ASP 68 H ASP 68 18.663 13.986 16.904 519 HA ASP 68 HA ASP 68 21.234 12.870 16.220 520 1HB ASP 68 2HB ASP 68 20.487 13.250 18.572 521 2HB ASP 68 1HB ASP 68 19.280 11.984 18.353 522 H CYS 69 H CYS 69 20.594 12.037 14.092 523 HA CYS 69 HA CYS 69 19.796 9.250 14.312 524 1HB CYS 69 2HB CYS 69 18.276 11.102 12.465 525 2HB CYS 69 1HB CYS 69 18.006 9.374 12.692 526 HG CYS 69 HG CYS 69 16.361 10.215 14.381 527 H ASP 70 H ASP 70 21.345 8.223 13.234 528 HA ASP 70 HA ASP 70 22.919 9.539 11.208 529 1HB ASP 70 2HB ASP 70 22.916 6.794 12.436 530 2HB ASP 70 1HB ASP 70 23.904 7.150 11.021 531 H ILE 71 H ILE 71 21.199 10.007 9.688 532 HA ILE 71 HA ILE 71 20.464 7.649 8.058 533 HB ILE 71 HB ILE 71 18.404 8.879 7.433 534 1HG1 ILE 71 2HG1 ILE 71 19.363 10.833 9.550 535 2HG1 ILE 71 1HG1 ILE 71 19.246 11.162 7.822 536 1HG2 ILE 71 1HG2 ILE 71 17.238 8.521 9.541 537 2HG2 ILE 71 2HG2 ILE 71 18.754 8.618 10.435 538 3HG2 ILE 71 3HG2 ILE 71 18.458 7.262 9.347 539 1HD1 ILE 71 1HD1 ILE 71 17.267 12.068 8.855 540 2HD1 ILE 71 2HD1 ILE 71 16.971 10.565 9.730 541 3HD1 ILE 71 3HD1 ILE 71 16.781 10.617 7.978 542 H LYS 72 H LYS 72 20.230 8.057 5.764 543 HA LYS 72 HA LYS 72 21.713 10.433 4.821 544 1HB LYS 72 2HB LYS 72 22.931 8.090 4.839 545 2HB LYS 72 1HB LYS 72 21.978 7.827 3.379 546 1HG LYS 72 2HG LYS 72 22.845 10.165 2.652 547 2HG LYS 72 1HG LYS 72 24.064 9.937 3.906 548 1HD LYS 72 2HD LYS 72 23.552 8.155 1.510 549 2HD LYS 72 1HD LYS 72 24.996 9.115 1.837 550 1HE LYS 72 2HE LYS 72 25.177 7.734 4.019 551 2HE LYS 72 1HE LYS 72 24.040 6.628 3.249 552 1HZ LYS 72 1HZ LYS 72 25.704 6.831 1.277 553 2HZ LYS 72 2HZ LYS 72 26.029 5.771 2.564 554 3HZ LYS 72 3HZ LYS 72 26.798 7.284 2.491 555 H ALA 73 H ALA 73 21.327 10.901 2.503 556 HA ALA 73 HA ALA 73 18.513 10.349 1.823 557 1HB ALA 73 1HB ALA 73 18.380 12.462 1.016 558 2HB ALA 73 2HB ALA 73 19.970 12.374 0.258 559 3HB ALA 73 3HB ALA 73 19.832 12.740 1.978 560 H LEU 74 H LEU 74 17.990 9.204 0.057 561 HA LEU 74 HA LEU 74 20.185 8.395 -1.748 562 1HB LEU 74 2HB LEU 74 17.545 6.975 -1.401 563 2HB LEU 74 1HB LEU 74 19.023 6.358 -2.140 564 HG LEU 74 HG LEU 74 18.805 7.169 0.772 565 1HD1 LEU 74 1HD1 LEU 74 19.019 4.329 -0.180 566 2HD1 LEU 74 2HD1 LEU 74 17.435 5.104 -0.125 567 3HD1 LEU 74 3HD1 LEU 74 18.392 4.946 1.348 568 1HD2 LEU 74 1HD2 LEU 74 21.076 7.278 0.061 569 2HD2 LEU 74 2HD2 LEU 74 20.915 5.825 -0.927 570 3HD2 LEU 74 3HD2 LEU 74 20.914 5.700 0.833 571 H GLY 75 H GLY 75 19.395 7.846 -4.009 572 1HA GLY 75 2HA GLY 75 18.706 8.801 -6.009 573 2HA GLY 75 1HA GLY 75 17.122 8.638 -5.259 574 H LYS 76 H LYS 76 16.119 10.491 -5.857 575 HA LYS 76 HA LYS 76 17.503 13.045 -5.756 576 1HB LYS 76 2HB LYS 76 15.248 13.922 -6.492 577 2HB LYS 76 1HB LYS 76 15.987 12.753 -7.588 578 1HG LYS 76 2HG LYS 76 14.498 11.062 -7.012 579 2HG LYS 76 1HG LYS 76 14.162 11.758 -5.427 580 1HD LYS 76 2HD LYS 76 12.220 12.079 -6.866 581 2HD LYS 76 1HD LYS 76 12.972 13.644 -6.551 582 1HE LYS 76 2HE LYS 76 13.668 12.004 -8.991 583 2HE LYS 76 1HE LYS 76 12.327 13.151 -8.989 584 1HZ LYS 76 1HZ LYS 76 13.917 14.599 -9.573 585 2HZ LYS 76 2HZ LYS 76 15.181 13.637 -8.972 586 3HZ LYS 76 3HZ LYS 76 14.283 14.621 -7.917 587 H THR 77 H THR 77 16.085 11.109 -3.497 588 HA THR 77 HA THR 77 14.344 12.578 -1.984 589 HB THR 77 HB THR 77 16.650 11.058 -0.764 590 HG1 THR 77 1HG THR 77 14.196 10.051 -1.760 591 1HG2 THR 77 1HG2 THR 77 14.919 10.503 0.927 592 2HG2 THR 77 2HG2 THR 77 13.770 11.521 0.059 593 3HG2 THR 77 3HG2 THR 77 15.196 12.240 0.809 594 H LYS 78 H LYS 78 14.444 14.648 -1.400 595 HA LYS 78 HA LYS 78 16.984 15.993 -1.026 596 1HB LYS 78 2HB LYS 78 15.009 17.082 -2.119 597 2HB LYS 78 1HB LYS 78 14.192 17.058 -0.556 598 1HG LYS 78 2HG LYS 78 16.057 18.371 0.422 599 2HG LYS 78 1HG LYS 78 16.824 18.435 -1.165 600 1HD LYS 78 2HD LYS 78 14.763 19.541 -2.061 601 2HD LYS 78 1HD LYS 78 14.123 19.589 -0.418 602 1HE LYS 78 2HE LYS 78 16.249 20.825 0.245 603 2HE LYS 78 1HE LYS 78 16.592 20.979 -1.478 604 1HZ LYS 78 1HZ LYS 78 14.339 21.996 -1.697 605 2HZ LYS 78 2HZ LYS 78 15.449 22.924 -0.807 606 3HZ LYS 78 3HZ LYS 78 14.244 22.033 -0.004 607 H LEU 79 H LEU 79 18.040 16.097 0.841 608 HA LEU 79 HA LEU 79 16.516 15.683 3.344 609 1HB LEU 79 2HB LEU 79 18.032 13.826 2.925 610 2HB LEU 79 1HB LEU 79 19.379 14.941 2.695 611 HG LEU 79 HG LEU 79 19.156 15.718 5.013 612 1HD1 LEU 79 1HD1 LEU 79 16.739 13.942 4.905 613 2HD1 LEU 79 2HD1 LEU 79 16.907 15.555 5.598 614 3HD1 LEU 79 3HD1 LEU 79 17.577 14.159 6.442 615 1HD2 LEU 79 1HD2 LEU 79 19.125 12.690 5.005 616 2HD2 LEU 79 2HD2 LEU 79 20.017 13.759 6.090 617 3HD2 LEU 79 3HD2 LEU 79 20.490 13.627 4.395 618 H GLU 80 H GLU 80 16.594 17.259 4.823 619 HA GLU 80 HA GLU 80 18.849 19.096 4.939 620 1HB GLU 80 2HB GLU 80 17.326 21.093 4.814 621 2HB GLU 80 1HB GLU 80 17.511 20.229 3.287 622 1HG GLU 80 2HG GLU 80 15.402 18.998 3.756 623 2HG GLU 80 1HG GLU 80 15.205 19.940 5.233 624 H GLN 81 H GLN 81 18.861 20.377 6.868 625 HA GLN 81 HA GLN 81 17.216 19.186 9.009 626 1HB GLN 81 2HB GLN 81 19.723 19.015 9.166 627 2HB GLN 81 1HB GLN 81 19.774 20.773 9.300 628 1HG GLN 81 2HG GLN 81 18.349 20.680 11.298 629 2HG GLN 81 1HG GLN 81 18.251 18.926 11.161 630 1HE2 GLN 81 1HE2 GLN 81 19.283 19.817 13.538 631 2HE2 GLN 81 2HE2 GLN 81 20.967 19.612 13.587 632 H GLN 82 H GLN 82 16.281 20.533 10.603 633 HA GLN 82 HA GLN 82 15.707 23.256 9.631 634 1HB GLN 82 2HB GLN 82 14.174 21.942 11.843 635 2HB GLN 82 1HB GLN 82 13.625 23.112 10.641 636 1HG GLN 82 2HG GLN 82 14.283 20.192 10.162 637 2HG GLN 82 1HG GLN 82 12.689 20.942 10.085 638 1HE2 GLN 82 1HE2 GLN 82 14.884 19.723 8.037 639 2HE2 GLN 82 2HE2 GLN 82 14.734 20.796 6.731 640 H GLU 83 H GLU 83 15.297 24.883 11.408 641 HA GLU 83 HA GLU 83 17.633 25.184 12.983 642 1HB GLU 83 2HB GLU 83 14.972 26.608 13.239 643 2HB GLU 83 1HB GLU 83 16.509 27.148 13.917 644 1HG GLU 83 2HG GLU 83 17.458 27.231 11.615 645 2HG GLU 83 1HG GLU 83 15.875 26.794 10.973 646 H ASN 84 H ASN 84 14.386 24.009 13.692 647 HA ASN 84 HA ASN 84 14.571 23.952 16.503 648 1HB ASN 84 2HB ASN 84 12.799 22.165 16.317 649 2HB ASN 84 1HB ASN 84 12.427 23.665 15.471 650 1HD2 ASN 84 1HD2 ASN 84 14.373 20.737 14.620 651 2HD2 ASN 84 2HD2 ASN 84 13.622 20.507 13.115 652 H GLY 85 H GLY 85 15.902 21.891 14.043 653 1HA GLY 85 2HA GLY 85 17.800 20.504 14.498 654 2HA GLY 85 1HA GLY 85 17.211 20.294 16.144 655 H GLU 86 H GLU 86 15.917 19.791 12.850 656 HA GLU 86 HA GLU 86 15.437 16.973 13.504 657 1HB GLU 86 2HB GLU 86 13.298 18.904 12.581 658 2HB GLU 86 1HB GLU 86 13.119 17.149 12.562 659 1HG GLU 86 2HG GLU 86 13.578 17.104 15.007 660 2HG GLU 86 1HG GLU 86 13.653 18.865 15.003 661 H TRP 87 H TRP 87 15.217 15.625 11.669 662 HA TRP 87 HA TRP 87 16.300 16.832 9.205 663 1HB TRP 87 2HB TRP 87 16.352 14.021 10.302 664 2HB TRP 87 1HB TRP 87 16.774 14.386 8.629 665 HD1 TRP 87 HD TRP 87 18.126 14.460 12.107 666 HE1 TRP 87 1HE TRP 87 20.500 15.468 12.113 667 HE3 TRP 87 3HE TRP 87 18.322 16.281 7.341 668 HZ2 TRP 87 2HZ TRP 87 22.249 16.862 10.331 669 HZ3 TRP 87 3HZ TRP 87 20.351 17.444 6.521 670 HH2 TRP 87 HH TRP 87 22.315 17.733 8.008 671 H VAL 88 H VAL 88 15.245 16.661 7.277 672 HA VAL 88 HA VAL 88 12.651 15.242 7.278 673 HB VAL 88 HB VAL 88 13.266 17.977 6.138 674 1HG1 VAL 88 1HG1 VAL 88 11.829 16.902 4.567 675 2HG1 VAL 88 2HG1 VAL 88 10.767 17.876 5.585 676 3HG1 VAL 88 3HG1 VAL 88 10.885 16.135 5.845 677 1HG2 VAL 88 1HG2 VAL 88 11.422 16.989 8.337 678 2HG2 VAL 88 2HG2 VAL 88 11.407 18.632 7.697 679 3HG2 VAL 88 3HG2 VAL 88 12.836 18.024 8.533 680 H ALA 89 H ALA 89 12.269 13.976 5.551 681 HA ALA 89 HA ALA 89 13.944 14.312 3.148 682 1HB ALA 89 1HB ALA 89 13.382 11.637 4.447 683 2HB ALA 89 2HB ALA 89 14.901 12.518 4.616 684 3HB ALA 89 3HB ALA 89 14.389 11.941 3.031 685 H SER 90 H SER 90 12.433 14.890 1.694 686 HA SER 90 HA SER 90 9.964 13.265 1.552 687 1HB SER 90 2HB SER 90 8.808 15.184 0.708 688 2HB SER 90 1HB SER 90 9.688 15.708 2.141 689 HG SER 90 HG SER 90 10.627 17.088 0.879 690 H VAL 91 H VAL 91 9.299 12.501 -0.434 691 HA VAL 91 HA VAL 91 10.622 13.257 -2.881 692 HB VAL 91 HB VAL 91 12.238 11.656 -1.759 693 1HG1 VAL 91 1HG1 VAL 91 11.661 9.335 -1.615 694 2HG1 VAL 91 2HG1 VAL 91 10.145 9.592 -2.479 695 3HG1 VAL 91 3HG1 VAL 91 10.344 10.219 -0.842 696 1HG2 VAL 91 1HG2 VAL 91 12.197 12.047 -4.206 697 2HG2 VAL 91 2HG2 VAL 91 10.983 10.780 -4.381 698 3HG2 VAL 91 3HG2 VAL 91 12.609 10.374 -3.832 699 H VAL 92 H VAL 92 9.522 12.531 -4.710 700 HA VAL 92 HA VAL 92 6.878 11.363 -4.145 701 HB VAL 92 HB VAL 92 7.893 12.899 -6.549 702 1HG1 VAL 92 1HG1 VAL 92 5.221 11.646 -5.882 703 2HG1 VAL 92 2HG1 VAL 92 6.207 11.394 -7.322 704 3HG1 VAL 92 3HG1 VAL 92 5.389 12.937 -7.073 705 1HG2 VAL 92 1HG2 VAL 92 6.135 13.603 -4.186 706 2HG2 VAL 92 2HG2 VAL 92 6.157 14.558 -5.668 707 3HG2 VAL 92 3HG2 VAL 92 7.623 14.397 -4.701 708 H VAL 93 H VAL 93 6.263 9.445 -4.974 709 HA VAL 93 HA VAL 93 8.209 8.035 -6.699 710 HB VAL 93 HB VAL 93 6.175 6.854 -4.791 711 1HG1 VAL 93 1HG1 VAL 93 8.386 5.641 -6.475 712 2HG1 VAL 93 2HG1 VAL 93 6.654 5.365 -6.653 713 3HG1 VAL 93 3HG1 VAL 93 7.500 4.768 -5.225 714 1HG2 VAL 93 1HG2 VAL 93 9.195 6.990 -4.543 715 2HG2 VAL 93 2HG2 VAL 93 8.057 6.371 -3.345 716 3HG2 VAL 93 3HG2 VAL 93 8.097 8.095 -3.717 717 H TYR 94 H TYR 94 7.562 7.443 -8.673 718 HA TYR 94 HA TYR 94 4.775 7.915 -9.433 719 1HB TYR 94 2HB TYR 94 7.274 7.352 -11.040 720 2HB TYR 94 1HB TYR 94 5.669 7.508 -11.756 721 HD1 TYR 94 1HD TYR 94 4.312 9.661 -10.837 722 HD2 TYR 94 2HD TYR 94 8.588 9.269 -10.976 723 HE1 TYR 94 1HE TYR 94 4.540 12.130 -10.787 724 HE2 TYR 94 2HE TYR 94 8.815 11.739 -10.933 725 HH TYR 94 HH TYR 94 6.817 13.749 -9.914 726 HA PRO 95 HA PRO 95 3.467 3.751 -9.422 727 1HB PRO 95 2HB PRO 95 2.129 3.627 -11.858 728 2HB PRO 95 1HB PRO 95 1.453 4.278 -10.355 729 1HG PRO 95 2HG PRO 95 2.649 5.709 -12.670 730 2HG PRO 95 1HG PRO 95 1.261 6.150 -11.662 731 1HD PRO 95 2HD PRO 95 3.644 7.365 -11.350 732 2HD PRO 95 1HD PRO 95 2.598 7.016 -9.955 733 H CYS 96 H CYS 96 3.708 1.662 -10.491 734 HA CYS 96 HA CYS 96 5.149 0.102 -11.403 735 1HB CYS 96 2HB CYS 96 5.106 0.086 -13.760 736 2HB CYS 96 1HB CYS 96 3.640 0.957 -13.310 737 HG CYS 96 HG CYS 96 4.528 2.840 -14.642 738 H GLU 97 H GLU 97 6.415 2.425 -10.076 739 HA GLU 97 HA GLU 97 9.091 2.034 -11.182 740 1HB GLU 97 2HB GLU 97 7.768 4.736 -10.903 741 2HB GLU 97 1HB GLU 97 9.515 4.528 -11.021 742 1HG GLU 97 2HG GLU 97 9.165 3.276 -13.164 743 2HG GLU 97 1HG GLU 97 7.450 3.667 -13.065 744 H THR 98 H THR 98 10.513 1.732 -9.585 745 HA THR 98 HA THR 98 9.716 2.519 -6.851 746 HB THR 98 HB THR 98 11.871 0.522 -7.493 747 HG1 THR 98 1HG THR 98 10.242 -0.438 -8.500 748 1HG2 THR 98 1HG2 THR 98 10.992 -0.394 -5.289 749 2HG2 THR 98 2HG2 THR 98 10.015 1.069 -5.170 750 3HG2 THR 98 3HG2 THR 98 11.774 1.184 -5.194 751 H GLU 99 H GLU 99 11.008 3.818 -5.650 752 HA GLU 99 HA GLU 99 13.603 4.622 -6.814 753 1HB GLU 99 2HB GLU 99 11.566 6.444 -5.509 754 2HB GLU 99 1HB GLU 99 13.157 6.930 -6.099 755 1HG GLU 99 2HG GLU 99 10.990 5.693 -7.822 756 2HG GLU 99 1HG GLU 99 11.331 7.420 -7.732 757 H MET 100 H MET 100 15.054 5.656 -5.203 758 HA MET 100 HA MET 100 15.009 4.123 -2.726 759 1HB MET 100 2HB MET 100 17.074 6.112 -3.694 760 2HB MET 100 1HB MET 100 17.272 4.910 -2.417 761 1HG MET 100 2HG MET 100 16.753 4.313 -5.346 762 2HG MET 100 1HG MET 100 18.294 4.117 -4.511 763 1HE MET 100 1HE MET 100 17.170 2.748 -1.519 764 2HE MET 100 2HE MET 100 18.617 2.976 -2.497 765 3HE MET 100 3HE MET 100 18.030 1.348 -2.173 766 H PHE 101 H PHE 101 15.279 5.106 -0.642 767 HA PHE 101 HA PHE 101 14.130 7.830 -0.498 768 1HB PHE 101 2HB PHE 101 12.592 6.058 0.314 769 2HB PHE 101 1HB PHE 101 13.805 5.578 1.501 770 HD1 PHE 101 1HD PHE 101 12.869 9.004 0.335 771 HD2 PHE 101 2HD PHE 101 12.836 6.179 3.571 772 HE1 PHE 101 1HE PHE 101 12.010 10.761 1.861 773 HE2 PHE 101 2HE PHE 101 11.999 7.942 5.102 774 HZ PHE 101 HZ PHE 101 11.578 10.231 4.245 775 H ILE 102 H ILE 102 15.032 6.302 2.418 776 HA ILE 102 HA ILE 102 17.564 7.832 2.493 777 HB ILE 102 HB ILE 102 17.126 8.414 4.795 778 1HG1 ILE 102 2HG1 ILE 102 14.702 7.781 5.612 779 2HG1 ILE 102 1HG1 ILE 102 14.856 6.478 4.433 780 1HG2 ILE 102 1HG2 ILE 102 14.734 8.883 2.992 781 2HG2 ILE 102 2HG2 ILE 102 16.146 9.924 3.165 782 3HG2 ILE 102 3HG2 ILE 102 15.014 9.744 4.505 783 1HD1 ILE 102 1HD1 ILE 102 16.237 5.323 5.788 784 2HD1 ILE 102 2HD1 ILE 102 15.872 6.497 7.051 785 3HD1 ILE 102 3HD1 ILE 102 17.277 6.730 6.011 786 H GLU 103 H GLU 103 19.201 6.981 3.904 787 HA GLU 103 HA GLU 103 18.830 4.156 4.671 788 1HB GLU 103 2HB GLU 103 20.002 4.124 2.545 789 2HB GLU 103 1HB GLU 103 21.168 5.310 3.135 790 1HG GLU 103 2HG GLU 103 22.014 3.760 4.783 791 2HG GLU 103 1HG GLU 103 20.736 2.601 4.419 792 H GLY 104 H GLY 104 20.356 3.407 6.285 793 1HA GLY 104 2HA GLY 104 22.225 4.014 7.788 794 2HA GLY 104 1HA GLY 104 21.492 5.612 7.905 795 H ARG 105 H ARG 105 21.524 5.235 10.235 796 HA ARG 105 HA ARG 105 19.651 3.228 11.250 797 1HB ARG 105 2HB ARG 105 21.866 3.572 12.350 798 2HB ARG 105 1HB ARG 105 21.356 5.204 12.782 799 1HG ARG 105 2HG ARG 105 19.435 4.272 14.027 800 2HG ARG 105 1HG ARG 105 19.959 2.641 13.607 801 1HD ARG 105 2HD ARG 105 22.134 3.095 14.748 802 2HD ARG 105 1HD ARG 105 21.507 4.662 15.253 803 HE ARG 105 HE ARG 105 19.626 2.936 16.179 804 1HH1 ARG 105 1HH2 ARG 105 23.079 3.067 16.363 805 2HH1 ARG 105 2HH2 ARG 105 23.165 2.283 17.905 806 1HH2 ARG 105 1HH1 ARG 105 19.731 1.907 18.201 807 2HH2 ARG 105 2HH1 ARG 105 21.269 1.626 18.946 808 H VAL 106 H VAL 106 17.737 3.702 12.265 809 HA VAL 106 HA VAL 106 16.909 6.543 12.260 810 HB VAL 106 HB VAL 106 15.016 4.244 11.796 811 1HG1 VAL 106 1HG1 VAL 106 14.834 7.122 10.892 812 2HG1 VAL 106 2HG1 VAL 106 14.279 6.611 12.486 813 3HG1 VAL 106 3HG1 VAL 106 13.534 5.940 11.035 814 1HG2 VAL 106 1HG2 VAL 106 16.671 5.805 9.795 815 2HG2 VAL 106 2HG2 VAL 106 15.209 4.928 9.349 816 3HG2 VAL 106 3HG2 VAL 106 16.598 4.055 9.996 817 H ASN 107 H ASN 107 15.932 7.296 14.060 818 HA ASN 107 HA ASN 107 14.926 5.441 16.082 819 1HB ASN 107 2HB ASN 107 16.324 7.023 17.741 820 2HB ASN 107 1HB ASN 107 16.969 5.511 17.105 821 1HD2 ASN 107 1HD2 ASN 107 17.934 8.592 17.627 822 2HD2 ASN 107 2HD2 ASN 107 18.994 8.805 16.318 823 H GLY 108 H GLY 108 12.987 6.211 16.607 824 1HA GLY 108 2HA GLY 108 11.263 7.665 17.070 825 2HA GLY 108 1HA GLY 108 12.507 8.760 17.671 826 H PHE 109 H PHE 109 10.348 8.043 15.085 827 HA PHE 109 HA PHE 109 10.943 10.617 13.852 828 1HB PHE 109 2HB PHE 109 11.152 9.610 11.587 829 2HB PHE 109 1HB PHE 109 12.477 9.154 12.659 830 HD1 PHE 109 1HD PHE 109 12.405 6.910 13.829 831 HD2 PHE 109 2HD PHE 109 9.679 7.972 10.683 832 HE1 PHE 109 1HE PHE 109 11.840 4.516 13.511 833 HE2 PHE 109 2HE PHE 109 9.115 5.578 10.364 834 HZ PHE 109 HZ PHE 109 10.195 3.850 11.777 835 H LYS 110 H LYS 110 9.298 11.302 12.360 836 HA LYS 110 HA LYS 110 6.724 9.912 12.793 837 1HB LYS 110 2HB LYS 110 7.234 12.815 12.090 838 2HB LYS 110 1HB LYS 110 5.660 12.081 12.402 839 1HG LYS 110 2HG LYS 110 6.420 11.479 14.691 840 2HG LYS 110 1HG LYS 110 7.950 12.297 14.376 841 1HD LYS 110 2HD LYS 110 6.608 14.387 13.859 842 2HD LYS 110 1HD LYS 110 5.191 13.538 14.480 843 1HE LYS 110 2HE LYS 110 6.568 13.105 16.598 844 2HE LYS 110 1HE LYS 110 7.706 14.300 15.974 845 1HZ LYS 110 1HZ LYS 110 4.869 15.006 16.023 846 2HZ LYS 110 2HZ LYS 110 6.236 15.989 16.248 847 3HZ LYS 110 3HZ LYS 110 5.696 14.978 17.503 848 H SER 111 H SER 111 5.556 9.239 11.075 849 HA SER 111 HA SER 111 6.677 9.785 8.394 850 1HB SER 111 2HB SER 111 5.082 7.372 9.273 851 2HB SER 111 1HB SER 111 5.861 7.611 7.711 852 HG SER 111 HG SER 111 7.001 6.357 9.452 853 H LYS 112 H LYS 112 5.391 10.631 6.869 854 HA LYS 112 HA LYS 112 2.476 10.604 7.258 855 1HB LYS 112 2HB LYS 112 3.462 12.770 8.131 856 2HB LYS 112 1HB LYS 112 3.972 13.112 6.476 857 1HG LYS 112 2HG LYS 112 1.547 12.733 5.785 858 2HG LYS 112 1HG LYS 112 1.149 12.757 7.504 859 1HD LYS 112 2HD LYS 112 2.596 14.983 6.039 860 2HD LYS 112 1HD LYS 112 0.878 14.993 6.438 861 1HE LYS 112 2HE LYS 112 1.647 14.571 8.874 862 2HE LYS 112 1HE LYS 112 3.239 15.084 8.312 863 1HZ LYS 112 1HZ LYS 112 0.876 16.646 8.796 864 2HZ LYS 112 2HZ LYS 112 1.592 16.969 7.290 865 3HZ LYS 112 3HZ LYS 112 2.499 17.132 8.718 866 H MET 113 H MET 113 1.480 9.986 5.443 867 HA MET 113 HA MET 113 2.811 10.497 2.857 868 1HB MET 113 2HB MET 113 1.490 7.904 3.689 869 2HB MET 113 1HB MET 113 2.170 8.252 2.098 870 1HG MET 113 2HG MET 113 3.968 7.173 3.093 871 2HG MET 113 1HG MET 113 4.329 8.848 3.511 872 1HE MET 113 1HE MET 113 3.083 5.390 6.172 873 2HE MET 113 2HE MET 113 3.833 5.388 4.578 874 3HE MET 113 3HE MET 113 2.128 5.799 4.741 875 H ASP 114 H ASP 114 1.243 10.009 1.006 876 HA ASP 114 HA ASP 114 -1.571 10.273 1.535 877 1HB ASP 114 2HB ASP 114 -0.571 12.617 1.882 878 2HB ASP 114 1HB ASP 114 -0.294 12.621 0.141 879 H ALA 115 H ALA 115 -2.759 10.696 -0.617 880 HA ALA 115 HA ALA 115 -1.240 9.461 -2.837 881 1HB ALA 115 1HB ALA 115 -3.331 8.306 -3.492 882 2HB ALA 115 2HB ALA 115 -4.117 8.944 -2.047 883 3HB ALA 115 3HB ALA 115 -2.773 7.812 -1.893 884 H LEU 116 H LEU 116 -0.850 11.359 -3.936 885 HA LEU 116 HA LEU 116 -3.092 13.137 -4.551 886 1HB LEU 116 2HB LEU 116 -0.290 13.490 -5.578 887 2HB LEU 116 1HB LEU 116 -1.501 14.719 -5.204 888 HG LEU 116 HG LEU 116 -0.005 12.992 -3.211 889 1HD1 LEU 116 1HD1 LEU 116 -0.063 16.005 -3.425 890 2HD1 LEU 116 2HD1 LEU 116 1.119 15.035 -4.303 891 3HD1 LEU 116 3HD1 LEU 116 1.081 14.995 -2.541 892 1HD2 LEU 116 1HD2 LEU 116 -2.320 14.915 -2.910 893 2HD2 LEU 116 2HD2 LEU 116 -1.249 14.527 -1.564 894 3HD2 LEU 116 3HD2 LEU 116 -2.202 13.254 -2.328 895 HA PRO 117 HA PRO 117 -3.735 11.443 -8.566 896 1HB PRO 117 2HB PRO 117 -4.738 13.608 -9.878 897 2HB PRO 117 1HB PRO 117 -5.651 12.729 -8.636 898 1HG PRO 117 2HG PRO 117 -4.170 15.303 -8.431 899 2HG PRO 117 1HG PRO 117 -5.722 14.831 -7.718 900 1HD PRO 117 2HD PRO 117 -3.360 14.861 -6.312 901 2HD PRO 117 1HD PRO 117 -4.728 13.798 -5.911 902 H LEU 118 H LEU 118 -2.429 11.032 -10.268 903 HA LEU 118 HA LEU 118 0.042 12.232 -10.663 904 1HB LEU 118 2HB LEU 118 -1.655 10.832 -12.744 905 2HB LEU 118 1HB LEU 118 0.086 11.093 -12.831 906 HG LEU 118 HG LEU 118 -1.111 9.685 -10.458 907 1HD1 LEU 118 1HD1 LEU 118 -0.672 7.537 -11.661 908 2HD1 LEU 118 2HD1 LEU 118 -0.387 8.461 -13.136 909 3HD1 LEU 118 3HD1 LEU 118 -1.982 8.471 -12.382 910 1HD2 LEU 118 1HD2 LEU 118 1.096 8.787 -10.234 911 2HD2 LEU 118 2HD2 LEU 118 1.312 10.497 -10.606 912 3HD2 LEU 118 3HD2 LEU 118 1.538 9.286 -11.867 913 H SER 119 H SER 119 0.484 14.263 -11.208 914 HA SER 119 HA SER 119 -1.439 15.862 -12.695 915 1HB SER 119 2HB SER 119 1.241 16.498 -11.455 916 2HB SER 119 1HB SER 119 0.281 17.674 -12.347 917 HG SER 119 HG SER 119 0.051 16.962 -9.817 918 H GLU 120 H GLU 120 0.050 17.528 -14.199 919 HA GLU 120 HA GLU 120 0.490 16.060 -16.569 920 1HB GLU 120 2HB GLU 120 1.302 18.149 -17.505 921 2HB GLU 120 1HB GLU 120 -0.101 18.479 -16.488 922 1HG GLU 120 2HG GLU 120 1.490 18.996 -14.600 923 2HG GLU 120 1HG GLU 120 2.813 18.870 -15.760 924 H GLU 121 H GLU 121 2.573 16.921 -13.921 925 HA GLU 121 HA GLU 121 5.087 16.721 -15.142 926 1HB GLU 121 2HB GLU 121 5.973 16.385 -12.934 927 2HB GLU 121 1HB GLU 121 4.616 17.504 -12.792 928 1HG GLU 121 2HG GLU 121 3.160 15.472 -12.291 929 2HG GLU 121 1HG GLU 121 4.656 14.554 -12.133 930 H TYR 122 H TYR 122 2.982 14.225 -13.757 931 HA TYR 122 HA TYR 122 4.797 12.066 -14.091 932 1HB TYR 122 2HB TYR 122 2.978 11.739 -12.591 933 2HB TYR 122 1HB TYR 122 1.793 12.196 -13.815 934 HD1 TYR 122 1HD TYR 122 4.532 9.702 -13.225 935 HD2 TYR 122 2HD TYR 122 0.729 10.520 -15.044 936 HE1 TYR 122 1HE TYR 122 4.372 7.336 -13.953 937 HE2 TYR 122 2HE TYR 122 0.570 8.155 -15.775 938 HH TYR 122 HH TYR 122 1.929 6.259 -16.168 939 H ARG 123 H ARG 123 2.215 13.396 -16.124 940 HA ARG 123 HA ARG 123 2.203 11.469 -18.144 941 1HB ARG 123 2HB ARG 123 1.781 14.456 -18.414 942 2HB ARG 123 1HB ARG 123 1.280 13.234 -19.584 943 1HG ARG 123 2HG ARG 123 0.391 12.994 -16.726 944 2HG ARG 123 1HG ARG 123 -0.448 14.107 -17.807 945 1HD ARG 123 2HD ARG 123 -0.021 11.145 -18.291 946 2HD ARG 123 1HD ARG 123 -1.540 11.905 -17.827 947 HE ARG 123 HE ARG 123 -0.842 13.225 -20.111 948 1HH1 ARG 123 1HH2 ARG 123 -1.147 9.901 -19.196 949 2HH1 ARG 123 2HH2 ARG 123 -1.604 9.365 -20.778 950 1HH2 ARG 123 1HH1 ARG 123 -1.442 12.529 -22.188 951 2HH2 ARG 123 2HH1 ARG 123 -1.772 10.853 -22.472 952 H GLN 124 H GLN 124 4.232 14.353 -17.754 953 HA GLN 124 HA GLN 124 5.655 14.026 -20.201 954 1HB GLN 124 2HB GLN 124 6.310 15.529 -17.660 955 2HB GLN 124 1HB GLN 124 7.298 15.599 -19.120 956 1HG GLN 124 2HG GLN 124 4.341 16.254 -19.066 957 2HG GLN 124 1HG GLN 124 5.611 17.468 -18.917 958 1HE2 GLN 124 1HE2 GLN 124 3.558 16.359 -21.179 959 2HE2 GLN 124 2HE2 GLN 124 4.526 16.475 -22.567 960 H HIS 125 H HIS 125 6.183 12.935 -16.886 961 HA HIS 125 HA HIS 125 8.803 12.000 -17.103 962 1HB HIS 125 2HB HIS 125 7.869 12.012 -14.938 963 2HB HIS 125 1HB HIS 125 6.450 11.097 -15.452 964 HD1 HIS 125 1HD HIS 125 10.016 10.696 -14.422 965 HD2 HIS 125 2HD HIS 125 6.898 8.284 -15.776 966 HE1 HIS 125 1HE HIS 125 10.726 8.303 -13.995 967 HE2 HIS 125 2HE HIS 125 8.846 6.818 -14.839 968 H GLN 126 H GLN 126 5.803 10.661 -18.286 969 HA GLN 126 HA GLN 126 6.667 8.012 -18.763 970 1HB GLN 126 2HB GLN 126 4.585 9.668 -20.209 971 2HB GLN 126 1HB GLN 126 4.777 7.921 -20.360 972 1HG GLN 126 2HG GLN 126 4.363 7.655 -17.948 973 2HG GLN 126 1HG GLN 126 4.190 9.401 -17.781 974 1HE2 GLN 126 1HE2 GLN 126 2.026 7.742 -17.055 975 2HE2 GLN 126 2HE2 GLN 126 0.773 7.934 -18.184 976 H ALA 127 H ALA 127 7.360 10.994 -20.341 977 HA ALA 127 HA ALA 127 7.859 10.212 -22.964 978 1HB ALA 127 1HB ALA 127 9.461 12.100 -23.033 979 2HB ALA 127 2HB ALA 127 9.369 12.222 -21.276 980 3HB ALA 127 3HB ALA 127 7.942 12.549 -22.259 981 H GLU 128 H GLU 128 9.836 9.838 -20.070 982 HA GLU 128 HA GLU 128 12.208 8.985 -21.384 983 1HB GLU 128 2HB GLU 128 13.023 8.460 -19.244 984 2HB GLU 128 1HB GLU 128 11.888 9.776 -18.942 985 1HG GLU 128 2HG GLU 128 10.124 7.930 -18.585 986 2HG GLU 128 1HG GLU 128 11.489 6.821 -18.477 987 H LYS 129 H LYS 129 9.277 7.361 -20.384 988 HA LYS 129 HA LYS 129 10.357 4.700 -20.714 989 1HB LYS 129 2HB LYS 129 7.494 5.646 -20.445 990 2HB LYS 129 1HB LYS 129 8.034 3.970 -20.355 991 1HG LYS 129 2HG LYS 129 9.636 4.839 -18.486 992 2HG LYS 129 1HG LYS 129 8.537 6.218 -18.419 993 1HD LYS 129 2HD LYS 129 7.787 3.303 -18.053 994 2HD LYS 129 1HD LYS 129 7.815 4.544 -16.799 995 1HE LYS 129 2HE LYS 129 5.542 4.447 -17.418 996 2HE LYS 129 1HE LYS 129 6.156 5.826 -18.331 997 1HZ LYS 129 1HZ LYS 129 4.817 3.796 -19.424 998 2HZ LYS 129 2HZ LYS 129 6.413 3.250 -19.634 999 3HZ LYS 129 3HZ LYS 129 5.934 4.750 -20.272 1000 H ASP 130 H ASP 130 7.274 5.240 -22.125 1001 HA ASP 130 HA ASP 130 8.393 5.088 -24.848 1002 1HB ASP 130 2HB ASP 130 6.274 3.279 -23.671 1003 2HB ASP 130 1HB ASP 130 6.629 3.392 -25.394 1004 H LYS 131 H LYS 131 7.181 7.273 -23.315 1005 HA LYS 131 HA LYS 131 5.627 8.945 -23.577 1006 1HB LYS 131 2HB LYS 131 5.553 7.748 -26.356 1007 2HB LYS 131 1HB LYS 131 4.801 9.280 -25.912 1008 1HG LYS 131 2HG LYS 131 7.020 10.114 -25.148 1009 2HG LYS 131 1HG LYS 131 7.750 8.606 -25.703 1010 1HD LYS 131 2HD LYS 131 6.885 9.077 -27.997 1011 2HD LYS 131 1HD LYS 131 6.286 10.632 -27.419 1012 1HE LYS 131 2HE LYS 131 8.604 11.240 -26.743 1013 2HE LYS 131 1HE LYS 131 9.177 9.715 -27.420 1014 1HZ LYS 131 1HZ LYS 131 9.202 11.867 -28.847 1015 2HZ LYS 131 2HZ LYS 131 7.558 11.511 -29.088 1016 3HZ LYS 131 3HZ LYS 131 8.749 10.391 -29.550 Start of MODEL 18 1 H MET 1 1H MET 1 1.839 3.677 22.357 2 HA MET 1 HA MET 1 -0.119 2.807 21.268 3 1HB MET 1 2HB MET 1 0.431 5.311 21.383 4 2HB MET 1 1HB MET 1 0.899 5.175 19.687 5 1HG MET 1 2HG MET 1 -1.788 4.228 20.699 6 2HG MET 1 1HG MET 1 -1.523 5.878 20.132 7 1HE MET 1 1HE MET 1 -3.364 3.237 17.537 8 2HE MET 1 2HE MET 1 -3.711 4.367 18.843 9 3HE MET 1 3HE MET 1 -3.018 2.791 19.213 10 H GLY 2 H GLY 2 0.233 0.846 20.165 11 1HA GLY 2 2HA GLY 2 1.485 0.831 17.550 12 2HA GLY 2 1HA GLY 2 0.736 -0.541 18.362 13 H CYS 3 H CYS 3 0.101 -0.603 15.886 14 HA CYS 3 HA CYS 3 -1.902 1.070 14.867 15 1HB CYS 3 2HB CYS 3 -1.446 -1.877 14.342 16 2HB CYS 3 1HB CYS 3 -2.428 -0.801 13.347 17 HG CYS 3 HG CYS 3 0.650 -0.360 13.728 18 H GLY 4 H GLY 4 -2.115 -1.830 16.883 19 1HA GLY 4 2HA GLY 4 -3.803 -2.363 18.409 20 2HA GLY 4 1HA GLY 4 -4.766 -1.031 17.774 21 H ALA 5 H ALA 5 -3.532 -2.880 15.262 22 HA ALA 5 HA ALA 5 -6.155 -3.971 14.671 23 1HB ALA 5 1HB ALA 5 -5.046 -4.738 12.567 24 2HB ALA 5 2HB ALA 5 -3.530 -4.070 13.170 25 3HB ALA 5 3HB ALA 5 -4.896 -3.003 12.845 26 H SER 6 H SER 6 -6.794 -5.876 15.430 27 HA SER 6 HA SER 6 -5.090 -7.734 16.710 28 1HB SER 6 2HB SER 6 -7.029 -9.158 16.849 29 2HB SER 6 1HB SER 6 -7.559 -7.497 17.099 30 HG SER 6 HG SER 6 -7.925 -9.206 14.909 31 H SER 7 H SER 7 -6.186 -7.395 13.404 32 HA SER 7 HA SER 7 -5.312 -10.019 12.582 33 1HB SER 7 2HB SER 7 -6.031 -7.586 10.931 34 2HB SER 7 1HB SER 7 -5.807 -9.220 10.312 35 HG SER 7 HG SER 7 -7.915 -9.203 10.694 36 H GLU 8 H GLU 8 -3.555 -10.457 11.160 37 HA GLU 8 HA GLU 8 -1.465 -8.383 11.031 38 1HB GLU 8 2HB GLU 8 -1.040 -11.244 11.927 39 2HB GLU 8 1HB GLU 8 0.235 -10.055 11.657 40 1HG GLU 8 2HG GLU 8 -2.037 -9.719 13.637 41 2HG GLU 8 1HG GLU 8 -0.409 -10.244 14.062 42 H ASN 9 H ASN 9 -1.564 -8.066 8.854 43 HA ASN 9 HA ASN 9 -2.039 -10.005 6.891 44 1HB ASN 9 2HB ASN 9 -2.065 -7.489 6.600 45 2HB ASN 9 1HB ASN 9 -0.304 -7.557 6.533 46 1HD2 ASN 9 1HD2 ASN 9 -0.637 -6.724 4.235 47 2HD2 ASN 9 2HD2 ASN 9 -0.981 -7.855 3.017 48 H SER 10 H SER 10 0.971 -8.930 8.401 49 HA SER 10 HA SER 10 3.112 -9.761 8.319 50 1HB SER 10 2HB SER 10 1.583 -12.304 7.726 51 2HB SER 10 1HB SER 10 3.292 -12.235 8.151 52 HG SER 10 HG SER 10 1.308 -12.377 9.800 53 H SER 11 H SER 11 1.829 -12.002 5.909 54 HA SER 11 HA SER 11 3.936 -11.535 4.080 55 1HB SER 11 2HB SER 11 1.207 -12.733 3.555 56 2HB SER 11 1HB SER 11 2.624 -12.890 2.520 57 HG SER 11 HG SER 11 2.849 -13.577 5.223 58 H VAL 12 H VAL 12 3.455 -10.894 1.736 59 HA VAL 12 HA VAL 12 1.599 -8.603 1.625 60 HB VAL 12 HB VAL 12 4.366 -8.535 0.420 61 1HG1 VAL 12 1HG1 VAL 12 3.918 -6.214 0.109 62 2HG1 VAL 12 2HG1 VAL 12 2.511 -6.268 1.173 63 3HG1 VAL 12 3HG1 VAL 12 2.451 -7.046 -0.409 64 1HG2 VAL 12 1HG2 VAL 12 4.802 -6.934 2.387 65 2HG2 VAL 12 2HG2 VAL 12 4.788 -8.658 2.760 66 3HG2 VAL 12 3HG2 VAL 12 3.384 -7.662 3.143 67 H THR 13 H THR 13 0.464 -8.432 -0.236 68 HA THR 13 HA THR 13 1.220 -10.227 -2.465 69 HB THR 13 HB THR 13 -1.642 -9.537 -1.886 70 HG1 THR 13 1HG THR 13 -1.472 -11.748 -0.820 71 1HG2 THR 13 1HG2 THR 13 -0.366 -12.032 -3.025 72 2HG2 THR 13 2HG2 THR 13 -0.851 -10.658 -4.018 73 3HG2 THR 13 3HG2 THR 13 -2.064 -11.560 -3.108 74 H TYR 14 H TYR 14 1.462 -9.248 -4.368 75 HA TYR 14 HA TYR 14 0.585 -6.449 -4.625 76 1HB TYR 14 2HB TYR 14 2.549 -8.059 -6.276 77 2HB TYR 14 1HB TYR 14 2.172 -6.351 -6.511 78 HD1 TYR 14 1HD TYR 14 4.417 -8.570 -4.986 79 HD2 TYR 14 2HD TYR 14 2.307 -4.903 -4.248 80 HE1 TYR 14 1HE TYR 14 6.084 -7.961 -3.253 81 HE2 TYR 14 2HE TYR 14 3.971 -4.293 -2.515 82 HH TYR 14 HH TYR 14 5.884 -6.278 -1.026 83 H VAL 15 H VAL 15 -0.135 -5.792 -6.851 84 HA VAL 15 HA VAL 15 -1.623 -7.919 -8.240 85 HB VAL 15 HB VAL 15 -3.460 -7.160 -7.122 86 1HG1 VAL 15 1HG1 VAL 15 -2.017 -4.505 -6.878 87 2HG1 VAL 15 2HG1 VAL 15 -2.254 -5.701 -5.604 88 3HG1 VAL 15 3HG1 VAL 15 -3.634 -4.809 -6.246 89 1HG2 VAL 15 1HG2 VAL 15 -4.699 -5.647 -8.478 90 2HG2 VAL 15 2HG2 VAL 15 -3.566 -6.417 -9.587 91 3HG2 VAL 15 3HG2 VAL 15 -3.245 -4.790 -8.988 92 H ASN 16 H ASN 16 -1.111 -4.383 -8.327 93 HA ASN 16 HA ASN 16 -1.313 -4.178 -11.140 94 1HB ASN 16 2HB ASN 16 -0.093 -2.383 -9.043 95 2HB ASN 16 1HB ASN 16 -0.134 -1.953 -10.751 96 1HD2 ASN 16 1HD2 ASN 16 -1.786 -1.343 -7.987 97 2HD2 ASN 16 2HD2 ASN 16 -3.354 -1.157 -8.608 98 H GLY 17 H GLY 17 1.320 -4.994 -9.013 99 1HA GLY 17 2HA GLY 17 2.938 -6.212 -10.865 100 2HA GLY 17 1HA GLY 17 3.427 -4.521 -10.907 101 H ARG 18 H ARG 18 5.179 -6.540 -10.114 102 HA ARG 18 HA ARG 18 5.272 -6.494 -7.192 103 1HB ARG 18 2HB ARG 18 7.450 -7.699 -8.838 104 2HB ARG 18 1HB ARG 18 6.734 -8.267 -7.329 105 1HG ARG 18 2HG ARG 18 5.415 -8.340 -10.059 106 2HG ARG 18 1HG ARG 18 6.060 -9.728 -9.183 107 1HD ARG 18 2HD ARG 18 4.462 -8.961 -7.272 108 2HD ARG 18 1HD ARG 18 3.647 -8.048 -8.540 109 HE ARG 18 HE ARG 18 4.107 -10.879 -9.094 110 1HH1 ARG 18 1HH2 ARG 18 2.004 -8.374 -7.963 111 2HH1 ARG 18 2HH2 ARG 18 0.554 -9.286 -8.217 112 1HH2 ARG 18 1HH1 ARG 18 2.210 -12.081 -9.429 113 2HH2 ARG 18 2HH1 ARG 18 0.671 -11.386 -9.047 114 HA PRO 19 HA PRO 19 8.115 -3.147 -6.969 115 1HB PRO 19 2HB PRO 19 9.461 -3.807 -4.683 116 2HB PRO 19 1HB PRO 19 7.798 -3.191 -4.690 117 1HG PRO 19 2HG PRO 19 8.777 -5.990 -4.418 118 2HG PRO 19 1HG PRO 19 7.461 -5.167 -3.568 119 1HD PRO 19 2HD PRO 19 7.022 -6.898 -5.633 120 2HD PRO 19 1HD PRO 19 5.943 -5.532 -5.279 121 H THR 20 H THR 20 10.095 -2.650 -7.791 122 HA THR 20 HA THR 20 11.760 -4.757 -8.813 123 HB THR 20 HB THR 20 13.108 -2.967 -9.743 124 HG1 THR 20 1HG THR 20 11.666 -1.440 -7.866 125 1HG2 THR 20 1HG2 THR 20 10.909 -3.469 -10.795 126 2HG2 THR 20 2HG2 THR 20 11.392 -1.788 -11.017 127 3HG2 THR 20 3HG2 THR 20 10.176 -2.204 -9.809 128 H PHE 21 H PHE 21 11.474 -3.421 -5.792 129 HA PHE 21 HA PHE 21 14.257 -4.156 -5.116 130 1HB PHE 21 2HB PHE 21 13.925 -1.685 -5.055 131 2HB PHE 21 1HB PHE 21 12.662 -1.918 -3.846 132 HD1 PHE 21 1HD PHE 21 16.281 -2.407 -4.548 133 HD2 PHE 21 2HD PHE 21 13.194 -2.370 -1.561 134 HE1 PHE 21 1HE PHE 21 18.003 -2.508 -2.767 135 HE2 PHE 21 2HE PHE 21 14.917 -2.472 0.220 136 HZ PHE 21 HZ PHE 21 17.321 -2.541 -0.383 137 H VAL 22 H VAL 22 14.516 -5.424 -3.336 138 HA VAL 22 HA VAL 22 12.143 -5.980 -1.672 139 HB VAL 22 HB VAL 22 13.985 -8.214 -2.445 140 1HG1 VAL 22 1HG1 VAL 22 11.023 -8.064 -1.802 141 2HG1 VAL 22 2HG1 VAL 22 12.288 -8.479 -0.644 142 3HG1 VAL 22 3HG1 VAL 22 11.967 -9.538 -2.018 143 1HG2 VAL 22 1HG2 VAL 22 11.691 -7.098 -4.083 144 2HG2 VAL 22 2HG2 VAL 22 12.336 -8.725 -4.300 145 3HG2 VAL 22 3HG2 VAL 22 13.363 -7.323 -4.600 146 H GLY 23 H GLY 23 12.577 -5.849 0.434 147 1HA GLY 23 2HA GLY 23 15.408 -5.958 1.286 148 2HA GLY 23 1HA GLY 23 14.165 -4.994 2.080 149 H GLU 24 H GLU 24 13.229 -5.838 3.835 150 HA GLU 24 HA GLU 24 12.978 -8.745 4.105 151 1HB GLU 24 2HB GLU 24 15.166 -8.089 5.138 152 2HB GLU 24 1HB GLU 24 14.275 -7.055 6.254 153 1HG GLU 24 2HG GLU 24 12.989 -9.020 7.038 154 2HG GLU 24 1HG GLU 24 13.914 -10.049 5.945 155 H GLU 25 H GLU 25 12.602 -5.762 6.041 156 HA GLU 25 HA GLU 25 10.035 -6.726 7.040 157 1HB GLU 25 2HB GLU 25 11.711 -5.593 8.529 158 2HB GLU 25 1HB GLU 25 11.424 -4.104 7.627 159 1HG GLU 25 2HG GLU 25 9.002 -4.269 8.184 160 2HG GLU 25 1HG GLU 25 9.349 -5.695 9.162 161 H VAL 26 H VAL 26 8.234 -6.356 5.929 162 HA VAL 26 HA VAL 26 8.070 -3.896 4.291 163 HB VAL 26 HB VAL 26 6.618 -6.497 3.773 164 1HG1 VAL 26 1HG1 VAL 26 7.026 -3.943 2.193 165 2HG1 VAL 26 2HG1 VAL 26 5.501 -4.578 2.812 166 3HG1 VAL 26 3HG1 VAL 26 6.343 -5.419 1.511 167 1HG2 VAL 26 1HG2 VAL 26 9.220 -5.403 2.673 168 2HG2 VAL 26 2HG2 VAL 26 8.290 -6.659 1.856 169 3HG2 VAL 26 3HG2 VAL 26 8.955 -6.957 3.462 170 H THR 27 H THR 27 6.353 -2.583 4.591 171 HA THR 27 HA THR 27 4.109 -3.555 6.240 172 HB THR 27 HB THR 27 4.260 -1.844 7.772 173 HG1 THR 27 1HG THR 27 4.212 -0.028 6.668 174 1HG2 THR 27 1HG2 THR 27 6.385 -3.232 7.761 175 2HG2 THR 27 2HG2 THR 27 6.535 -1.639 8.504 176 3HG2 THR 27 3HG2 THR 27 7.148 -1.912 6.874 177 H LYS 28 H LYS 28 2.284 -1.855 6.197 178 HA LYS 28 HA LYS 28 2.074 -0.770 3.451 179 1HB LYS 28 2HB LYS 28 -0.308 -1.621 5.075 180 2HB LYS 28 1HB LYS 28 -0.161 -1.450 3.325 181 1HG LYS 28 2HG LYS 28 1.520 -3.354 3.392 182 2HG LYS 28 1HG LYS 28 1.050 -3.605 5.073 183 1HD LYS 28 2HD LYS 28 -0.822 -3.685 2.688 184 2HD LYS 28 1HD LYS 28 -0.232 -5.089 3.580 185 1HE LYS 28 2HE LYS 28 -2.302 -4.720 4.599 186 2HE LYS 28 1HE LYS 28 -1.214 -3.833 5.666 187 1HZ LYS 28 1HZ LYS 28 -2.038 -2.215 3.486 188 2HZ LYS 28 2HZ LYS 28 -2.213 -1.940 5.154 189 3HZ LYS 28 3HZ LYS 28 -3.389 -2.828 4.308 190 H GLY 29 H GLY 29 2.585 1.345 3.839 191 1HA GLY 29 2HA GLY 29 2.156 2.981 5.948 192 2HA GLY 29 1HA GLY 29 1.981 3.544 4.289 193 H PHE 30 H PHE 30 -0.190 3.045 3.265 194 HA PHE 30 HA PHE 30 -2.267 4.056 4.978 195 1HB PHE 30 2HB PHE 30 -2.440 3.003 2.145 196 2HB PHE 30 1HB PHE 30 -3.664 3.964 2.976 197 HD1 PHE 30 1HD PHE 30 -3.172 6.325 3.633 198 HD2 PHE 30 2HD PHE 30 -0.473 4.016 1.216 199 HE1 PHE 30 1HE PHE 30 -2.008 8.405 2.945 200 HE2 PHE 30 2HE PHE 30 0.690 6.096 0.529 201 HZ PHE 30 HZ PHE 30 -0.077 8.290 1.393 202 H GLU 31 H GLU 31 -3.869 2.978 5.981 203 HA GLU 31 HA GLU 31 -3.759 0.064 5.981 204 1HB GLU 31 2HB GLU 31 -5.402 2.008 7.620 205 2HB GLU 31 1HB GLU 31 -5.371 0.259 7.852 206 1HG GLU 31 2HG GLU 31 -3.804 1.101 9.422 207 2HG GLU 31 1HG GLU 31 -2.825 0.500 8.086 208 H LYS 32 H LYS 32 -5.126 2.185 3.978 209 HA LYS 32 HA LYS 32 -7.726 0.812 3.791 210 1HB LYS 32 2HB LYS 32 -7.572 3.356 3.861 211 2HB LYS 32 1HB LYS 32 -6.860 3.258 2.250 212 1HG LYS 32 2HG LYS 32 -9.160 3.536 1.812 213 2HG LYS 32 1HG LYS 32 -8.921 1.794 1.661 214 1HD LYS 32 2HD LYS 32 -9.852 1.372 3.807 215 2HD LYS 32 1HD LYS 32 -9.741 3.070 4.274 216 1HE LYS 32 2HE LYS 32 -12.070 2.317 3.646 217 2HE LYS 32 1HE LYS 32 -11.472 3.687 2.711 218 1HZ LYS 32 1HZ LYS 32 -10.937 2.262 0.906 219 2HZ LYS 32 2HZ LYS 32 -12.531 1.903 1.369 220 3HZ LYS 32 3HZ LYS 32 -11.259 0.868 1.816 221 H ASP 33 H ASP 33 -8.432 -0.081 1.824 222 HA ASP 33 HA ASP 33 -8.199 -1.296 -0.111 223 1HB ASP 33 2HB ASP 33 -6.070 0.786 -0.660 224 2HB ASP 33 1HB ASP 33 -6.739 -0.323 -1.856 225 H ASN 34 H ASN 34 -5.926 -1.897 -1.641 226 HA ASN 34 HA ASN 34 -4.795 -3.998 -0.065 227 1HB ASN 34 2HB ASN 34 -5.204 -4.150 -2.523 228 2HB ASN 34 1HB ASN 34 -3.902 -2.990 -2.775 229 1HD2 ASN 34 1HD2 ASN 34 -4.493 -6.159 -1.151 230 2HD2 ASN 34 2HD2 ASN 34 -2.938 -6.767 -1.460 231 H GLY 35 H GLY 35 -4.271 -1.517 1.158 232 1HA GLY 35 2HA GLY 35 -2.511 -0.575 2.322 233 2HA GLY 35 1HA GLY 35 -1.439 -1.742 1.552 234 H LEU 36 H LEU 36 -2.574 -0.810 -1.122 235 HA LEU 36 HA LEU 36 -1.966 0.648 -2.788 236 1HB LEU 36 2HB LEU 36 -1.656 2.667 -0.557 237 2HB LEU 36 1HB LEU 36 -1.937 3.001 -2.266 238 HG LEU 36 HG LEU 36 -3.845 1.547 -0.409 239 1HD1 LEU 36 1HD1 LEU 36 -3.816 3.928 0.058 240 2HD1 LEU 36 2HD1 LEU 36 -5.278 3.565 -0.861 241 3HD1 LEU 36 3HD1 LEU 36 -3.893 4.308 -1.663 242 1HD2 LEU 36 1HD2 LEU 36 -3.815 2.091 -3.368 243 2HD2 LEU 36 2HD2 LEU 36 -5.355 2.002 -2.512 244 3HD2 LEU 36 3HD2 LEU 36 -4.266 0.615 -2.515 245 H LEU 37 H LEU 37 -0.003 2.086 -0.205 246 HA LEU 37 HA LEU 37 2.392 1.534 -1.833 247 1HB LEU 37 2HB LEU 37 1.904 3.906 -1.253 248 2HB LEU 37 1HB LEU 37 2.053 3.487 0.455 249 HG LEU 37 HG LEU 37 4.373 2.521 -0.214 250 1HD1 LEU 37 1HD1 LEU 37 4.439 4.585 -2.339 251 2HD1 LEU 37 2HD1 LEU 37 3.539 3.122 -2.736 252 3HD1 LEU 37 3HD1 LEU 37 5.237 3.014 -2.270 253 1HD2 LEU 37 1HD2 LEU 37 4.304 4.433 1.198 254 2HD2 LEU 37 2HD2 LEU 37 3.659 5.455 -0.086 255 3HD2 LEU 37 3HD2 LEU 37 5.336 4.912 -0.150 256 H PHE 38 H PHE 38 4.016 0.287 -1.089 257 HA PHE 38 HA PHE 38 3.713 -0.850 1.623 258 1HB PHE 38 2HB PHE 38 5.089 -1.989 -0.824 259 2HB PHE 38 1HB PHE 38 5.035 -2.760 0.761 260 HD1 PHE 38 1HD PHE 38 3.051 -1.755 -2.184 261 HD2 PHE 38 2HD PHE 38 2.987 -3.747 1.621 262 HE1 PHE 38 1HE PHE 38 0.831 -2.718 -2.726 263 HE2 PHE 38 2HE PHE 38 0.768 -4.711 1.079 264 HZ PHE 38 HZ PHE 38 -0.310 -4.197 -1.094 265 H ARG 39 H ARG 39 5.289 -0.552 3.082 266 HA ARG 39 HA ARG 39 7.580 1.091 2.320 267 1HB ARG 39 2HB ARG 39 6.201 1.577 4.367 268 2HB ARG 39 1HB ARG 39 6.821 0.080 5.067 269 1HG ARG 39 2HG ARG 39 9.115 0.899 4.883 270 2HG ARG 39 1HG ARG 39 8.551 2.367 4.084 271 1HD ARG 39 2HD ARG 39 8.903 2.923 6.395 272 2HD ARG 39 1HD ARG 39 7.162 2.844 6.141 273 HE ARG 39 HE ARG 39 8.045 0.304 6.970 274 1HH1 ARG 39 1HH2 ARG 39 7.760 3.556 8.120 275 2HH1 ARG 39 2HH2 ARG 39 7.552 3.098 9.777 276 1HH2 ARG 39 1HH1 ARG 39 7.773 -0.304 9.141 277 2HH2 ARG 39 2HH1 ARG 39 7.560 0.912 10.355 278 H ILE 40 H ILE 40 9.086 -0.153 1.312 279 HA ILE 40 HA ILE 40 9.810 -2.760 2.414 280 HB ILE 40 HB ILE 40 10.962 -1.289 0.032 281 1HG1 ILE 40 2HG1 ILE 40 8.882 -3.493 0.067 282 2HG1 ILE 40 1HG1 ILE 40 8.474 -1.783 -0.074 283 1HG2 ILE 40 1HG2 ILE 40 12.475 -2.998 0.722 284 2HG2 ILE 40 2HG2 ILE 40 11.538 -3.708 -0.592 285 3HG2 ILE 40 3HG2 ILE 40 11.161 -4.118 1.082 286 1HD1 ILE 40 1HD1 ILE 40 10.474 -3.054 -1.937 287 2HD1 ILE 40 2HD1 ILE 40 9.541 -1.575 -2.166 288 3HD1 ILE 40 3HD1 ILE 40 8.744 -3.145 -2.265 289 H VAL 41 H VAL 41 11.553 -3.141 3.647 290 HA VAL 41 HA VAL 41 13.621 -1.046 3.859 291 HB VAL 41 HB VAL 41 12.406 -2.529 6.204 292 1HG1 VAL 41 1HG1 VAL 41 13.741 -0.696 7.428 293 2HG1 VAL 41 2HG1 VAL 41 14.589 -0.462 5.900 294 3HG1 VAL 41 3HG1 VAL 41 14.667 -2.021 6.722 295 1HG2 VAL 41 1HG2 VAL 41 11.388 -0.403 6.798 296 2HG2 VAL 41 2HG2 VAL 41 10.906 -0.806 5.150 297 3HG2 VAL 41 3HG2 VAL 41 12.165 0.396 5.431 298 H ASN 42 H ASN 42 15.612 -1.829 3.619 299 HA ASN 42 HA ASN 42 16.009 -4.745 3.884 300 1HB ASN 42 2HB ASN 42 16.433 -3.539 1.652 301 2HB ASN 42 1HB ASN 42 17.853 -2.851 2.438 302 1HD2 ASN 42 1HD2 ASN 42 16.570 -6.139 3.013 303 2HD2 ASN 42 2HD2 ASN 42 17.927 -6.946 2.391 304 H LYS 43 H LYS 43 16.720 -5.133 5.905 305 HA LYS 43 HA LYS 43 18.126 -3.370 7.558 306 1HB LYS 43 2HB LYS 43 18.067 -6.395 7.545 307 2HB LYS 43 1HB LYS 43 18.746 -5.421 8.849 308 1HG LYS 43 2HG LYS 43 16.519 -4.263 9.047 309 2HG LYS 43 1HG LYS 43 15.872 -5.426 7.887 310 1HD LYS 43 2HD LYS 43 16.611 -7.274 9.412 311 2HD LYS 43 1HD LYS 43 17.076 -6.052 10.597 312 1HE LYS 43 2HE LYS 43 14.289 -6.340 9.442 313 2HE LYS 43 1HE LYS 43 14.790 -6.976 11.008 314 1HZ LYS 43 1HZ LYS 43 15.294 -4.775 11.755 315 2HZ LYS 43 2HZ LYS 43 13.711 -4.779 11.139 316 3HZ LYS 43 3HZ LYS 43 14.980 -4.121 10.222 317 H LYS 44 H LYS 44 19.257 -5.610 5.106 318 HA LYS 44 HA LYS 44 21.933 -5.872 5.733 319 1HB LYS 44 2HB LYS 44 20.762 -6.952 3.801 320 2HB LYS 44 1HB LYS 44 20.845 -5.411 2.948 321 1HG LYS 44 2HG LYS 44 23.250 -5.437 2.966 322 2HG LYS 44 1HG LYS 44 23.283 -6.817 4.064 323 1HD LYS 44 2HD LYS 44 23.724 -7.581 1.785 324 2HD LYS 44 1HD LYS 44 22.158 -8.193 2.317 325 1HE LYS 44 2HE LYS 44 20.967 -6.655 0.991 326 2HE LYS 44 1HE LYS 44 22.358 -5.585 0.821 327 1HZ LYS 44 1HZ LYS 44 22.580 -6.608 -1.143 328 2HZ LYS 44 2HZ LYS 44 21.653 -7.954 -0.680 329 3HZ LYS 44 3HZ LYS 44 23.290 -7.856 -0.241 330 H LYS 45 H LYS 45 20.509 -3.327 3.667 331 HA LYS 45 HA LYS 45 22.914 -1.689 4.168 332 1HB LYS 45 2HB LYS 45 20.821 -1.322 2.015 333 2HB LYS 45 1HB LYS 45 22.372 -0.491 2.145 334 1HG LYS 45 2HG LYS 45 22.055 -3.489 1.818 335 2HG LYS 45 1HG LYS 45 22.420 -2.374 0.502 336 1HD LYS 45 2HD LYS 45 24.403 -1.600 1.982 337 2HD LYS 45 1HD LYS 45 24.130 -3.094 2.879 338 1HE LYS 45 2HE LYS 45 25.816 -3.431 1.112 339 2HE LYS 45 1HE LYS 45 24.372 -4.392 0.793 340 1HZ LYS 45 1HZ LYS 45 24.111 -3.346 -1.123 341 2HZ LYS 45 2HZ LYS 45 25.547 -2.479 -0.851 342 3HZ LYS 45 3HZ LYS 45 24.056 -1.841 -0.344 343 H LYS 46 H LYS 46 19.787 -2.081 5.209 344 HA LYS 46 HA LYS 46 18.323 -0.777 6.404 345 1HB LYS 46 2HB LYS 46 20.997 0.203 7.017 346 2HB LYS 46 1HB LYS 46 19.772 1.460 7.186 347 1HG LYS 46 2HG LYS 46 19.352 -1.293 8.346 348 2HG LYS 46 1HG LYS 46 20.226 -0.048 9.239 349 1HD LYS 46 2HD LYS 46 18.349 1.329 9.425 350 2HD LYS 46 1HD LYS 46 17.553 0.598 8.031 351 1HE LYS 46 2HE LYS 46 18.009 -0.750 10.710 352 2HE LYS 46 1HE LYS 46 16.470 -0.115 10.128 353 1HZ LYS 46 1HZ LYS 46 17.756 -2.586 9.512 354 2HZ LYS 46 2HZ LYS 46 17.364 -1.720 8.105 355 3HZ LYS 46 3HZ LYS 46 16.154 -2.107 9.233 356 H GLN 47 H GLN 47 18.630 -0.329 3.517 357 HA GLN 47 HA GLN 47 18.087 2.549 3.268 358 1HB GLN 47 2HB GLN 47 18.240 2.164 0.850 359 2HB GLN 47 1HB GLN 47 19.674 1.544 1.670 360 1HG GLN 47 2HG GLN 47 18.430 -0.714 1.745 361 2HG GLN 47 1HG GLN 47 17.341 -0.010 0.551 362 1HE2 GLN 47 1HE2 GLN 47 20.120 1.539 -0.158 363 2HE2 GLN 47 2HE2 GLN 47 20.808 0.451 -1.265 364 H TRP 48 H TRP 48 16.068 3.281 3.195 365 HA TRP 48 HA TRP 48 13.845 1.424 3.127 366 1HB TRP 48 2HB TRP 48 13.981 4.436 3.368 367 2HB TRP 48 1HB TRP 48 12.481 3.510 3.411 368 HD1 TRP 48 HD TRP 48 15.203 1.585 4.970 369 HE1 TRP 48 1HE TRP 48 15.040 1.693 7.541 370 HE3 TRP 48 3HE TRP 48 11.806 5.365 5.483 371 HZ2 TRP 48 2HZ TRP 48 13.654 3.184 9.550 372 HZ3 TRP 48 3HZ TRP 48 11.084 6.108 7.733 373 HH2 TRP 48 HH TRP 48 12.001 5.024 9.766 374 H ALA 49 H ALA 49 12.271 1.275 1.550 375 HA ALA 49 HA ALA 49 12.584 2.874 -0.893 376 1HB ALA 49 1HB ALA 49 12.200 0.632 -2.161 377 2HB ALA 49 2HB ALA 49 12.824 -0.115 -0.690 378 3HB ALA 49 3HB ALA 49 13.824 1.021 -1.595 379 H TYR 50 H TYR 50 10.683 3.132 -2.067 380 HA TYR 50 HA TYR 50 8.254 1.990 -0.821 381 1HB TYR 50 2HB TYR 50 8.749 4.772 -1.885 382 2HB TYR 50 1HB TYR 50 7.132 4.137 -1.584 383 HD1 TYR 50 1HD TYR 50 10.027 5.670 -0.119 384 HD2 TYR 50 2HD TYR 50 6.632 3.191 0.761 385 HE1 TYR 50 1HE TYR 50 10.262 6.203 2.292 386 HE2 TYR 50 2HE TYR 50 6.865 3.724 3.171 387 HH TYR 50 HH TYR 50 9.439 4.777 4.577 388 H TYR 51 H TYR 51 6.746 1.129 -2.151 389 HA TYR 51 HA TYR 51 7.230 1.332 -5.064 390 1HB TYR 51 2HB TYR 51 7.827 -0.891 -4.446 391 2HB TYR 51 1HB TYR 51 6.416 -1.053 -3.399 392 HD1 TYR 51 1HD TYR 51 4.302 -1.727 -4.264 393 HD2 TYR 51 2HD TYR 51 7.495 -0.688 -6.943 394 HE1 TYR 51 1HE TYR 51 2.982 -2.596 -6.176 395 HE2 TYR 51 2HE TYR 51 6.175 -1.558 -8.855 396 HH TYR 51 HH TYR 51 2.861 -2.770 -8.396 397 H ASN 52 H ASN 52 5.562 2.050 -6.235 398 HA ASN 52 HA ASN 52 2.993 2.472 -4.883 399 1HB ASN 52 2HB ASN 52 4.013 4.397 -6.011 400 2HB ASN 52 1HB ASN 52 4.022 3.508 -7.533 401 1HD2 ASN 52 1HD2 ASN 52 2.616 5.814 -7.698 402 2HD2 ASN 52 2HD2 ASN 52 0.943 5.539 -7.622 403 H ASP 53 H ASP 53 1.392 1.075 -5.170 404 HA ASP 53 HA ASP 53 1.513 -0.877 -7.327 405 1HB ASP 53 2HB ASP 53 -0.311 -1.973 -6.194 406 2HB ASP 53 1HB ASP 53 0.882 -1.504 -4.983 407 H THR 54 H THR 54 -0.463 1.863 -6.308 408 HA THR 54 HA THR 54 -2.601 1.581 -8.091 409 HB THR 54 HB THR 54 -2.824 4.073 -7.853 410 HG1 THR 54 1HG THR 54 -0.519 4.397 -7.675 411 1HG2 THR 54 1HG2 THR 54 -3.357 3.987 -5.497 412 2HG2 THR 54 2HG2 THR 54 -2.255 2.632 -5.252 413 3HG2 THR 54 3HG2 THR 54 -3.727 2.411 -6.195 414 H THR 55 H THR 55 -3.036 2.997 -10.001 415 HA THR 55 HA THR 55 -0.600 3.431 -11.619 416 HB THR 55 HB THR 55 -2.002 2.679 -13.595 417 HG1 THR 55 1HG THR 55 -3.894 1.762 -13.216 418 1HG2 THR 55 1HG2 THR 55 -1.587 0.540 -11.499 419 2HG2 THR 55 2HG2 THR 55 -0.253 1.294 -12.372 420 3HG2 THR 55 3HG2 THR 55 -1.472 0.372 -13.251 421 H GLN 56 H GLN 56 -2.982 4.957 -10.106 422 HA GLN 56 HA GLN 56 -3.050 7.117 -12.102 423 1HB GLN 56 2HB GLN 56 -5.397 7.439 -11.909 424 2HB GLN 56 1HB GLN 56 -5.177 5.710 -12.181 425 1HG GLN 56 2HG GLN 56 -5.168 5.478 -9.622 426 2HG GLN 56 1HG GLN 56 -5.792 7.126 -9.585 427 1HE2 GLN 56 1HE2 GLN 56 -6.670 3.812 -10.031 428 2HE2 GLN 56 2HE2 GLN 56 -8.282 4.081 -10.489 429 H TYR 57 H TYR 57 -2.217 6.179 -9.105 430 HA TYR 57 HA TYR 57 -2.654 8.883 -7.988 431 1HB TYR 57 2HB TYR 57 -2.752 6.218 -6.559 432 2HB TYR 57 1HB TYR 57 -2.701 7.778 -5.735 433 HD1 TYR 57 1HD TYR 57 -4.511 9.519 -6.381 434 HD2 TYR 57 2HD TYR 57 -4.806 5.329 -7.280 435 HE1 TYR 57 1HE TYR 57 -6.962 9.754 -6.671 436 HE2 TYR 57 2HE TYR 57 -7.259 5.564 -7.570 437 HH TYR 57 HH TYR 57 -8.907 7.209 -8.002 438 H GLU 58 H GLU 58 -0.860 9.923 -7.384 439 HA GLU 58 HA GLU 58 1.696 8.502 -7.460 440 1HB GLU 58 2HB GLU 58 2.529 10.938 -7.034 441 2HB GLU 58 1HB GLU 58 1.875 10.522 -8.618 442 1HG GLU 58 2HG GLU 58 -0.299 11.441 -8.011 443 2HG GLU 58 1HG GLU 58 0.263 11.762 -6.372 444 H MET 59 H MET 59 2.903 8.041 -5.706 445 HA MET 59 HA MET 59 1.699 8.539 -3.087 446 1HB MET 59 2HB MET 59 3.814 6.675 -4.123 447 2HB MET 59 1HB MET 59 3.678 6.996 -2.394 448 1HG MET 59 2HG MET 59 2.349 4.992 -3.277 449 2HG MET 59 1HG MET 59 1.445 6.162 -2.314 450 1HE MET 59 1HE MET 59 -1.071 6.072 -3.211 451 2HE MET 59 2HE MET 59 -0.267 4.521 -3.448 452 3HE MET 59 3HE MET 59 -1.281 5.184 -4.726 453 H HIS 60 H HIS 60 2.366 10.132 -1.811 454 HA HIS 60 HA HIS 60 5.026 11.323 -2.308 455 1HB HIS 60 2HB HIS 60 2.579 12.530 -0.992 456 2HB HIS 60 1HB HIS 60 4.127 13.346 -1.218 457 HD1 HIS 60 1HD HIS 60 4.411 14.574 -3.376 458 HD2 HIS 60 2HD HIS 60 1.398 11.704 -3.625 459 HE1 HIS 60 1HE HIS 60 3.355 14.840 -5.663 460 HE2 HIS 60 2HE HIS 60 1.516 13.097 -5.829 461 H VAL 61 H VAL 61 6.532 10.793 -0.867 462 HA VAL 61 HA VAL 61 5.702 9.859 1.793 463 HB VAL 61 HB VAL 61 8.333 9.643 0.316 464 1HG1 VAL 61 1HG1 VAL 61 8.862 8.067 2.256 465 2HG1 VAL 61 2HG1 VAL 61 7.485 8.785 3.091 466 3HG1 VAL 61 3HG1 VAL 61 8.864 9.788 2.643 467 1HG2 VAL 61 1HG2 VAL 61 6.392 7.484 1.185 468 2HG2 VAL 61 2HG2 VAL 61 7.781 7.310 0.112 469 3HG2 VAL 61 3HG2 VAL 61 6.363 8.214 -0.420 470 H LEU 62 H LEU 62 6.088 10.988 3.596 471 HA LEU 62 HA LEU 62 8.092 13.134 3.569 472 1HB LEU 62 2HB LEU 62 5.907 14.177 3.003 473 2HB LEU 62 1HB LEU 62 5.244 13.547 4.511 474 HG LEU 62 HG LEU 62 7.163 14.755 5.694 475 1HD1 LEU 62 1HD1 LEU 62 7.435 15.796 2.880 476 2HD1 LEU 62 2HD1 LEU 62 8.699 15.251 3.983 477 3HD1 LEU 62 3HD1 LEU 62 7.899 16.800 4.253 478 1HD2 LEU 62 1HD2 LEU 62 5.972 16.903 5.657 479 2HD2 LEU 62 2HD2 LEU 62 4.813 15.573 5.659 480 3HD2 LEU 62 3HD2 LEU 62 5.155 16.442 4.163 481 H VAL 63 H VAL 63 9.370 11.945 4.979 482 HA VAL 63 HA VAL 63 8.186 11.364 7.627 483 HB VAL 63 HB VAL 63 10.616 10.109 6.327 484 1HG1 VAL 63 1HG1 VAL 63 10.746 10.167 8.778 485 2HG1 VAL 63 2HG1 VAL 63 10.436 8.520 8.227 486 3HG1 VAL 63 3HG1 VAL 63 9.123 9.490 8.895 487 1HG2 VAL 63 1HG2 VAL 63 7.968 8.783 6.918 488 2HG2 VAL 63 2HG2 VAL 63 9.259 8.226 5.853 489 3HG2 VAL 63 3HG2 VAL 63 8.257 9.600 5.382 490 H THR 64 H THR 64 9.046 12.293 9.399 491 HA THR 64 HA THR 64 11.378 14.063 9.003 492 HB THR 64 HB THR 64 9.190 14.175 11.095 493 HG1 THR 64 1HG THR 64 8.519 14.821 9.031 494 1HG2 THR 64 1HG2 THR 64 11.143 15.074 12.093 495 2HG2 THR 64 2HG2 THR 64 10.280 16.477 11.461 496 3HG2 THR 64 3HG2 THR 64 11.665 15.825 10.585 497 H PHE 65 H PHE 65 13.139 13.909 10.335 498 HA PHE 65 HA PHE 65 13.089 11.742 12.349 499 1HB PHE 65 2HB PHE 65 15.560 12.508 10.815 500 2HB PHE 65 1HB PHE 65 15.221 11.015 11.691 501 HD1 PHE 65 1HD PHE 65 13.624 9.349 10.772 502 HD2 PHE 65 2HD PHE 65 14.769 12.851 8.562 503 HE1 PHE 65 1HE PHE 65 12.731 8.330 8.694 504 HE2 PHE 65 2HE PHE 65 13.876 11.832 6.484 505 HZ PHE 65 HZ PHE 65 12.858 9.571 6.550 506 H ASN 66 H ASN 66 14.845 11.972 13.998 507 HA ASN 66 HA ASN 66 14.864 14.705 14.996 508 1HB ASN 66 2HB ASN 66 14.413 12.666 16.436 509 2HB ASN 66 1HB ASN 66 16.122 12.269 16.263 510 1HD2 ASN 66 1HD2 ASN 66 17.419 13.116 17.892 511 2HD2 ASN 66 2HD2 ASN 66 17.055 14.498 18.807 512 H GLU 67 H GLU 67 16.825 15.746 15.726 513 HA GLU 67 HA GLU 67 18.795 16.029 13.828 514 1HB GLU 67 2HB GLU 67 18.645 17.666 15.549 515 2HB GLU 67 1HB GLU 67 18.892 16.461 16.814 516 1HG GLU 67 2HG GLU 67 21.174 16.175 16.256 517 2HG GLU 67 1HG GLU 67 20.976 16.959 14.691 518 H ASP 68 H ASP 68 18.977 14.027 16.775 519 HA ASP 68 HA ASP 68 21.500 12.868 15.983 520 1HB ASP 68 2HB ASP 68 19.573 12.220 18.222 521 2HB ASP 68 1HB ASP 68 21.124 11.415 17.992 522 H CYS 69 H CYS 69 20.774 12.074 13.873 523 HA CYS 69 HA CYS 69 19.901 9.308 14.086 524 1HB CYS 69 2HB CYS 69 18.392 11.225 12.298 525 2HB CYS 69 1HB CYS 69 18.073 9.504 12.519 526 HG CYS 69 HG CYS 69 16.484 10.993 14.081 527 H ASP 70 H ASP 70 21.436 8.276 12.989 528 HA ASP 70 HA ASP 70 22.963 9.554 10.906 529 1HB ASP 70 2HB ASP 70 23.844 7.824 12.541 530 2HB ASP 70 1HB ASP 70 22.950 6.619 11.618 531 H ILE 71 H ILE 71 21.223 10.062 9.430 532 HA ILE 71 HA ILE 71 20.353 7.722 7.843 533 HB ILE 71 HB ILE 71 18.320 9.019 7.276 534 1HG1 ILE 71 2HG1 ILE 71 19.427 10.958 9.334 535 2HG1 ILE 71 1HG1 ILE 71 19.250 11.273 7.608 536 1HG2 ILE 71 1HG2 ILE 71 18.472 7.429 9.258 537 2HG2 ILE 71 2HG2 ILE 71 17.194 8.640 9.361 538 3HG2 ILE 71 3HG2 ILE 71 18.686 8.852 10.278 539 1HD1 ILE 71 1HD1 ILE 71 17.083 10.897 9.674 540 2HD1 ILE 71 2HD1 ILE 71 16.754 10.703 7.951 541 3HD1 ILE 71 3HD1 ILE 71 17.323 12.253 8.572 542 H LYS 72 H LYS 72 20.100 8.091 5.560 543 HA LYS 72 HA LYS 72 21.577 10.436 4.538 544 1HB LYS 72 2HB LYS 72 22.801 8.097 4.592 545 2HB LYS 72 1HB LYS 72 21.823 7.796 3.154 546 1HG LYS 72 2HG LYS 72 22.674 10.128 2.369 547 2HG LYS 72 1HG LYS 72 23.925 9.907 3.592 548 1HD LYS 72 2HD LYS 72 23.337 8.114 1.223 549 2HD LYS 72 1HD LYS 72 24.805 9.045 1.524 550 1HE LYS 72 2HE LYS 72 24.981 7.665 3.713 551 2HE LYS 72 1HE LYS 72 23.823 6.576 2.948 552 1HZ LYS 72 1HZ LYS 72 25.308 5.958 1.356 553 2HZ LYS 72 2HZ LYS 72 26.390 6.268 2.628 554 3HZ LYS 72 3HZ LYS 72 26.162 7.422 1.403 555 H ALA 73 H ALA 73 21.146 10.866 2.227 556 HA ALA 73 HA ALA 73 18.323 10.299 1.605 557 1HB ALA 73 1HB ALA 73 19.663 12.684 1.666 558 2HB ALA 73 2HB ALA 73 18.186 12.389 0.748 559 3HB ALA 73 3HB ALA 73 19.756 12.269 -0.046 560 H LEU 74 H LEU 74 17.755 9.129 -0.134 561 HA LEU 74 HA LEU 74 19.919 8.203 -1.917 562 1HB LEU 74 2HB LEU 74 17.204 6.928 -1.579 563 2HB LEU 74 1HB LEU 74 18.657 6.222 -2.285 564 HG LEU 74 HG LEU 74 18.419 7.085 0.610 565 1HD1 LEU 74 1HD1 LEU 74 18.013 4.839 1.196 566 2HD1 LEU 74 2HD1 LEU 74 18.526 4.241 -0.382 567 3HD1 LEU 74 3HD1 LEU 74 16.984 5.081 -0.217 568 1HD2 LEU 74 1HD2 LEU 74 20.482 5.537 0.718 569 2HD2 LEU 74 2HD2 LEU 74 20.708 7.122 -0.024 570 3HD2 LEU 74 3HD2 LEU 74 20.532 5.689 -1.039 571 H GLY 75 H GLY 75 19.052 7.593 -4.169 572 1HA GLY 75 2HA GLY 75 18.442 8.531 -6.201 573 2HA GLY 75 1HA GLY 75 16.854 8.554 -5.440 574 H LYS 76 H LYS 76 16.049 10.471 -6.142 575 HA LYS 76 HA LYS 76 17.691 12.887 -5.983 576 1HB LYS 76 2HB LYS 76 15.644 13.950 -7.024 577 2HB LYS 76 1HB LYS 76 16.407 12.691 -7.996 578 1HG LYS 76 2HG LYS 76 14.536 11.441 -7.952 579 2HG LYS 76 1HG LYS 76 14.468 11.526 -6.191 580 1HD LYS 76 2HD LYS 76 13.275 13.613 -6.256 581 2HD LYS 76 1HD LYS 76 13.539 13.775 -7.992 582 1HE LYS 76 2HE LYS 76 12.143 11.828 -8.432 583 2HE LYS 76 1HE LYS 76 11.959 11.531 -6.703 584 1HZ LYS 76 1HZ LYS 76 10.061 12.716 -7.719 585 2HZ LYS 76 2HZ LYS 76 11.092 14.019 -8.070 586 3HZ LYS 76 3HZ LYS 76 10.791 13.582 -6.456 587 H THR 77 H THR 77 16.079 11.182 -3.786 588 HA THR 77 HA THR 77 14.191 12.772 -2.554 589 HB THR 77 HB THR 77 16.315 11.113 -1.174 590 HG1 THR 77 1HG THR 77 14.896 10.154 -2.863 591 1HG2 THR 77 1HG2 THR 77 15.202 12.467 0.450 592 2HG2 THR 77 2HG2 THR 77 14.432 10.882 0.528 593 3HG2 THR 77 3HG2 THR 77 13.633 12.210 -0.313 594 H LYS 78 H LYS 78 14.246 14.788 -1.816 595 HA LYS 78 HA LYS 78 16.756 16.178 -1.464 596 1HB LYS 78 2HB LYS 78 14.705 17.240 -2.445 597 2HB LYS 78 1HB LYS 78 13.960 17.156 -0.848 598 1HG LYS 78 2HG LYS 78 15.844 18.486 0.078 599 2HG LYS 78 1HG LYS 78 16.522 18.620 -1.545 600 1HD LYS 78 2HD LYS 78 14.390 19.696 -2.294 601 2HD LYS 78 1HD LYS 78 13.833 19.670 -0.621 602 1HE LYS 78 2HE LYS 78 15.770 21.038 0.053 603 2HE LYS 78 1HE LYS 78 16.338 21.060 -1.617 604 1HZ LYS 78 1HZ LYS 78 15.083 23.061 -1.034 605 2HZ LYS 78 2HZ LYS 78 13.717 22.109 -0.694 606 3HZ LYS 78 3HZ LYS 78 14.329 22.187 -2.277 607 H LEU 79 H LEU 79 17.853 16.393 0.376 608 HA LEU 79 HA LEU 79 16.449 15.830 2.919 609 1HB LEU 79 2HB LEU 79 17.965 14.002 2.414 610 2HB LEU 79 1HB LEU 79 19.286 15.134 2.129 611 HG LEU 79 HG LEU 79 19.194 15.875 4.461 612 1HD1 LEU 79 1HD1 LEU 79 16.971 15.720 5.151 613 2HD1 LEU 79 2HD1 LEU 79 17.682 14.323 5.961 614 3HD1 LEU 79 3HD1 LEU 79 16.766 14.107 4.469 615 1HD2 LEU 79 1HD2 LEU 79 19.327 12.889 3.990 616 2HD2 LEU 79 2HD2 LEU 79 19.723 13.612 5.549 617 3HD2 LEU 79 3HD2 LEU 79 20.667 14.028 4.118 618 H GLU 80 H GLU 80 16.535 17.392 4.407 619 HA GLU 80 HA GLU 80 18.775 19.249 4.503 620 1HB GLU 80 2HB GLU 80 17.309 20.319 2.859 621 2HB GLU 80 1HB GLU 80 15.951 20.206 3.978 622 1HG GLU 80 2HG GLU 80 16.941 22.452 4.068 623 2HG GLU 80 1HG GLU 80 17.183 21.614 5.601 624 H GLN 81 H GLN 81 18.964 20.305 6.488 625 HA GLN 81 HA GLN 81 17.247 19.203 8.614 626 1HB GLN 81 2HB GLN 81 19.712 18.841 8.770 627 2HB GLN 81 1HB GLN 81 19.925 20.590 8.865 628 1HG GLN 81 2HG GLN 81 18.542 20.669 10.892 629 2HG GLN 81 1HG GLN 81 18.273 18.930 10.790 630 1HE2 GLN 81 1HE2 GLN 81 19.437 19.786 13.128 631 2HE2 GLN 81 2HE2 GLN 81 21.091 19.408 13.152 632 H GLN 82 H GLN 82 16.396 20.560 10.236 633 HA GLN 82 HA GLN 82 16.025 23.352 9.358 634 1HB GLN 82 2HB GLN 82 14.355 22.140 11.511 635 2HB GLN 82 1HB GLN 82 13.909 23.299 10.259 636 1HG GLN 82 2HG GLN 82 14.387 20.328 9.910 637 2HG GLN 82 1HG GLN 82 12.862 21.191 9.713 638 1HE2 GLN 82 1HE2 GLN 82 14.883 19.663 7.791 639 2HE2 GLN 82 2HE2 GLN 82 14.961 20.711 6.458 640 H GLU 83 H GLU 83 15.676 24.920 11.215 641 HA GLU 83 HA GLU 83 18.011 25.013 12.814 642 1HB GLU 83 2HB GLU 83 15.428 26.565 13.126 643 2HB GLU 83 1HB GLU 83 16.983 26.985 13.845 644 1HG GLU 83 2HG GLU 83 17.962 27.133 11.557 645 2HG GLU 83 1HG GLU 83 16.364 26.820 10.883 646 H ASN 84 H ASN 84 14.685 24.029 13.475 647 HA ASN 84 HA ASN 84 14.806 23.826 16.260 648 1HB ASN 84 2HB ASN 84 13.024 22.056 15.960 649 2HB ASN 84 1HB ASN 84 12.689 23.598 15.172 650 1HD2 ASN 84 1HD2 ASN 84 14.653 20.711 14.227 651 2HD2 ASN 84 2HD2 ASN 84 13.927 20.546 12.701 652 H GLY 85 H GLY 85 16.213 21.844 13.785 653 1HA GLY 85 2HA GLY 85 18.067 20.408 14.248 654 2HA GLY 85 1HA GLY 85 17.430 20.161 15.871 655 H GLU 86 H GLU 86 16.027 19.847 12.604 656 HA GLU 86 HA GLU 86 15.587 16.983 13.110 657 1HB GLU 86 2HB GLU 86 13.445 18.944 12.255 658 2HB GLU 86 1HB GLU 86 13.264 17.189 12.243 659 1HG GLU 86 2HG GLU 86 13.737 17.140 14.677 660 2HG GLU 86 1HG GLU 86 13.857 18.898 14.677 661 H TRP 87 H TRP 87 15.368 15.721 11.222 662 HA TRP 87 HA TRP 87 16.421 17.043 8.804 663 1HB TRP 87 2HB TRP 87 16.499 14.178 9.757 664 2HB TRP 87 1HB TRP 87 16.948 14.651 8.118 665 HD1 TRP 87 HD TRP 87 18.125 14.785 11.712 666 HE1 TRP 87 1HE TRP 87 20.523 15.726 11.791 667 HE3 TRP 87 3HE TRP 87 18.654 16.264 6.852 668 HZ2 TRP 87 2HZ TRP 87 22.421 16.932 10.022 669 HZ3 TRP 87 3HZ TRP 87 20.761 17.315 6.080 670 HH2 TRP 87 HH TRP 87 22.647 17.644 7.656 671 H VAL 88 H VAL 88 15.255 17.118 6.971 672 HA VAL 88 HA VAL 88 12.651 15.714 6.962 673 HB VAL 88 HB VAL 88 13.464 18.327 5.668 674 1HG1 VAL 88 1HG1 VAL 88 10.960 16.643 5.456 675 2HG1 VAL 88 2HG1 VAL 88 11.967 17.258 4.145 676 3HG1 VAL 88 3HG1 VAL 88 10.971 18.367 5.087 677 1HG2 VAL 88 1HG2 VAL 88 13.020 18.635 8.007 678 2HG2 VAL 88 2HG2 VAL 88 11.619 17.565 7.948 679 3HG2 VAL 88 3HG2 VAL 88 11.560 19.140 7.157 680 H ALA 89 H ALA 89 12.159 14.407 5.285 681 HA ALA 89 HA ALA 89 13.820 14.491 2.863 682 1HB ALA 89 1HB ALA 89 13.234 11.882 4.263 683 2HB ALA 89 2HB ALA 89 14.724 12.785 4.536 684 3HB ALA 89 3HB ALA 89 14.345 12.176 2.925 685 H SER 90 H SER 90 12.357 14.850 1.316 686 HA SER 90 HA SER 90 9.869 13.249 1.356 687 1HB SER 90 2HB SER 90 8.655 15.113 0.459 688 2HB SER 90 1HB SER 90 9.537 15.697 1.867 689 HG SER 90 HG SER 90 10.271 15.948 -0.866 690 H VAL 91 H VAL 91 9.162 12.418 -0.594 691 HA VAL 91 HA VAL 91 10.420 13.113 -3.092 692 HB VAL 91 HB VAL 91 12.074 11.559 -1.939 693 1HG1 VAL 91 1HG1 VAL 91 11.529 9.247 -1.727 694 2HG1 VAL 91 2HG1 VAL 91 10.028 9.443 -2.630 695 3HG1 VAL 91 3HG1 VAL 91 10.174 10.117 -1.007 696 1HG2 VAL 91 1HG2 VAL 91 12.258 11.818 -4.303 697 2HG2 VAL 91 2HG2 VAL 91 10.779 10.903 -4.594 698 3HG2 VAL 91 3HG2 VAL 91 12.233 10.076 -4.033 699 H VAL 92 H VAL 92 9.202 12.473 -4.831 700 HA VAL 92 HA VAL 92 6.644 11.172 -4.176 701 HB VAL 92 HB VAL 92 7.415 12.726 -6.655 702 1HG1 VAL 92 1HG1 VAL 92 4.752 11.773 -5.557 703 2HG1 VAL 92 2HG1 VAL 92 5.559 11.164 -7.001 704 3HG1 VAL 92 3HG1 VAL 92 4.947 12.818 -6.964 705 1HG2 VAL 92 1HG2 VAL 92 5.929 14.486 -5.574 706 2HG2 VAL 92 2HG2 VAL 92 7.488 14.242 -4.789 707 3HG2 VAL 92 3HG2 VAL 92 6.028 13.543 -4.088 708 H VAL 93 H VAL 93 6.072 9.251 -5.022 709 HA VAL 93 HA VAL 93 7.977 7.968 -6.883 710 HB VAL 93 HB VAL 93 5.995 6.660 -5.004 711 1HG1 VAL 93 1HG1 VAL 93 8.245 5.559 -6.717 712 2HG1 VAL 93 2HG1 VAL 93 6.518 5.301 -6.974 713 3HG1 VAL 93 3HG1 VAL 93 7.310 4.620 -5.552 714 1HG2 VAL 93 1HG2 VAL 93 7.943 6.119 -3.633 715 2HG2 VAL 93 2HG2 VAL 93 7.855 7.867 -3.846 716 3HG2 VAL 93 3HG2 VAL 93 9.011 6.922 -4.784 717 H TYR 94 H TYR 94 7.295 7.401 -8.858 718 HA TYR 94 HA TYR 94 4.503 7.929 -9.560 719 1HB TYR 94 2HB TYR 94 6.878 7.266 -11.318 720 2HB TYR 94 1HB TYR 94 5.282 7.762 -11.881 721 HD1 TYR 94 1HD TYR 94 8.484 8.946 -11.309 722 HD2 TYR 94 2HD TYR 94 4.388 9.966 -10.512 723 HE1 TYR 94 1HE TYR 94 9.127 11.327 -11.050 724 HE2 TYR 94 2HE TYR 94 5.032 12.346 -10.245 725 HH TYR 94 HH TYR 94 6.885 13.844 -11.022 726 HA PRO 95 HA PRO 95 3.242 3.739 -9.671 727 1HB PRO 95 2HB PRO 95 1.636 3.751 -11.920 728 2HB PRO 95 1HB PRO 95 1.144 4.368 -10.332 729 1HG PRO 95 2HG PRO 95 2.108 5.851 -12.724 730 2HG PRO 95 1HG PRO 95 0.835 6.276 -11.567 731 1HD PRO 95 2HD PRO 95 3.280 7.435 -11.478 732 2HD PRO 95 1HD PRO 95 2.345 7.108 -10.002 733 H CYS 96 H CYS 96 3.601 1.742 -10.722 734 HA CYS 96 HA CYS 96 4.734 0.246 -12.045 735 1HB CYS 96 2HB CYS 96 3.307 1.459 -13.795 736 2HB CYS 96 1HB CYS 96 4.767 2.367 -14.189 737 HG CYS 96 HG CYS 96 5.928 0.147 -14.891 738 H GLU 97 H GLU 97 6.159 2.254 -10.389 739 HA GLU 97 HA GLU 97 8.815 1.754 -11.445 740 1HB GLU 97 2HB GLU 97 7.915 3.978 -12.432 741 2HB GLU 97 1HB GLU 97 8.150 4.615 -10.804 742 1HG GLU 97 2HG GLU 97 10.179 5.056 -12.001 743 2HG GLU 97 1HG GLU 97 10.521 3.710 -10.915 744 H THR 98 H THR 98 10.485 2.157 -9.881 745 HA THR 98 HA THR 98 9.488 2.547 -7.124 746 HB THR 98 HB THR 98 11.712 0.633 -7.819 747 HG1 THR 98 1HG THR 98 9.686 -0.792 -7.237 748 1HG2 THR 98 1HG2 THR 98 11.039 -0.312 -5.604 749 2HG2 THR 98 2HG2 THR 98 9.882 1.009 -5.434 750 3HG2 THR 98 3HG2 THR 98 11.611 1.353 -5.501 751 H GLU 99 H GLU 99 10.710 3.833 -5.830 752 HA GLU 99 HA GLU 99 13.287 4.797 -6.909 753 1HB GLU 99 2HB GLU 99 11.173 6.483 -5.546 754 2HB GLU 99 1HB GLU 99 12.736 7.050 -6.135 755 1HG GLU 99 2HG GLU 99 12.091 6.334 -8.433 756 2HG GLU 99 1HG GLU 99 10.502 5.880 -7.819 757 H MET 100 H MET 100 14.755 5.646 -5.291 758 HA MET 100 HA MET 100 14.610 4.122 -2.812 759 1HB MET 100 2HB MET 100 16.784 5.986 -3.790 760 2HB MET 100 1HB MET 100 16.911 4.808 -2.483 761 1HG MET 100 2HG MET 100 16.362 4.151 -5.392 762 2HG MET 100 1HG MET 100 17.902 3.926 -4.565 763 1HE MET 100 1HE MET 100 18.226 2.822 -2.544 764 2HE MET 100 2HE MET 100 17.571 1.237 -2.146 765 3HE MET 100 3HE MET 100 16.786 2.686 -1.526 766 H PHE 101 H PHE 101 14.910 5.095 -0.728 767 HA PHE 101 HA PHE 101 13.867 7.861 -0.600 768 1HB PHE 101 2HB PHE 101 12.271 6.176 0.243 769 2HB PHE 101 1HB PHE 101 13.483 5.616 1.396 770 HD1 PHE 101 1HD PHE 101 12.631 6.240 3.508 771 HD2 PHE 101 2HD PHE 101 12.662 9.092 0.297 772 HE1 PHE 101 1HE PHE 101 11.912 8.018 5.081 773 HE2 PHE 101 2HE PHE 101 11.950 10.872 1.871 774 HZ PHE 101 HZ PHE 101 11.569 10.333 4.262 775 H ILE 102 H ILE 102 14.756 6.326 2.318 776 HA ILE 102 HA ILE 102 17.292 7.849 2.383 777 HB ILE 102 HB ILE 102 16.879 8.304 4.744 778 1HG1 ILE 102 2HG1 ILE 102 14.277 7.723 5.292 779 2HG1 ILE 102 1HG1 ILE 102 14.699 6.349 4.269 780 1HG2 ILE 102 1HG2 ILE 102 14.613 8.985 2.855 781 2HG2 ILE 102 2HG2 ILE 102 16.018 9.975 3.251 782 3HG2 ILE 102 3HG2 ILE 102 14.767 9.695 4.462 783 1HD1 ILE 102 1HD1 ILE 102 16.873 6.319 5.801 784 2HD1 ILE 102 2HD1 ILE 102 15.384 5.532 6.325 785 3HD1 ILE 102 3HD1 ILE 102 15.799 7.132 6.939 786 H GLU 103 H GLU 103 18.890 7.010 3.928 787 HA GLU 103 HA GLU 103 18.573 4.172 4.618 788 1HB GLU 103 2HB GLU 103 19.656 4.158 2.428 789 2HB GLU 103 1HB GLU 103 20.881 5.289 3.006 790 1HG GLU 103 2HG GLU 103 21.685 3.666 4.628 791 2HG GLU 103 1HG GLU 103 20.384 2.552 4.210 792 H GLY 104 H GLY 104 20.052 3.440 6.235 793 1HA GLY 104 2HA GLY 104 22.031 4.037 7.629 794 2HA GLY 104 1HA GLY 104 21.314 5.640 7.765 795 H ARG 105 H ARG 105 21.350 5.378 10.074 796 HA ARG 105 HA ARG 105 19.529 3.361 11.186 797 1HB ARG 105 2HB ARG 105 21.807 3.711 12.183 798 2HB ARG 105 1HB ARG 105 21.292 5.330 12.659 799 1HG ARG 105 2HG ARG 105 19.416 4.337 13.944 800 2HG ARG 105 1HG ARG 105 19.986 2.727 13.506 801 1HD ARG 105 2HD ARG 105 21.608 4.784 15.030 802 2HD ARG 105 1HD ARG 105 20.774 3.415 15.760 803 HE ARG 105 HE ARG 105 22.458 2.435 13.731 804 1HH1 ARG 105 1HH2 ARG 105 22.597 4.026 16.802 805 2HH1 ARG 105 2HH2 ARG 105 24.129 3.347 17.239 806 1HH2 ARG 105 1HH1 ARG 105 24.468 1.541 14.299 807 2HH2 ARG 105 2HH1 ARG 105 25.188 1.940 15.823 808 H VAL 106 H VAL 106 17.663 3.871 12.271 809 HA VAL 106 HA VAL 106 16.894 6.726 12.334 810 HB VAL 106 HB VAL 106 14.939 4.506 11.761 811 1HG1 VAL 106 1HG1 VAL 106 14.267 6.859 12.551 812 2HG1 VAL 106 2HG1 VAL 106 13.513 6.278 11.066 813 3HG1 VAL 106 3HG1 VAL 106 14.849 7.426 10.986 814 1HG2 VAL 106 1HG2 VAL 106 15.167 5.313 9.346 815 2HG2 VAL 106 2HG2 VAL 106 16.504 4.338 9.956 816 3HG2 VAL 106 3HG2 VAL 106 16.668 6.090 9.845 817 H ASN 107 H ASN 107 15.908 7.424 14.156 818 HA ASN 107 HA ASN 107 15.037 5.435 16.146 819 1HB ASN 107 2HB ASN 107 16.275 6.414 17.899 820 2HB ASN 107 1HB ASN 107 17.421 6.310 16.564 821 1HD2 ASN 107 1HD2 ASN 107 18.316 8.266 15.790 822 2HD2 ASN 107 2HD2 ASN 107 17.847 9.801 16.344 823 H GLY 108 H GLY 108 13.027 5.886 16.769 824 1HA GLY 108 2HA GLY 108 11.025 7.035 16.952 825 2HA GLY 108 1HA GLY 108 12.024 8.194 17.827 826 H PHE 109 H PHE 109 10.355 7.508 14.876 827 HA PHE 109 HA PHE 109 10.913 10.253 13.959 828 1HB PHE 109 2HB PHE 109 11.125 9.434 11.637 829 2HB PHE 109 1HB PHE 109 12.393 8.783 12.678 830 HD1 PHE 109 1HD PHE 109 9.479 8.008 10.634 831 HD2 PHE 109 2HD PHE 109 12.212 6.443 13.555 832 HE1 PHE 109 1HE PHE 109 8.751 5.702 10.081 833 HE2 PHE 109 2HE PHE 109 11.487 4.138 12.999 834 HZ PHE 109 HZ PHE 109 9.755 3.768 11.262 835 H LYS 110 H LYS 110 9.297 11.116 12.536 836 HA LYS 110 HA LYS 110 6.671 9.803 12.862 837 1HB LYS 110 2HB LYS 110 6.891 12.041 13.901 838 2HB LYS 110 1HB LYS 110 7.295 12.717 12.322 839 1HG LYS 110 2HG LYS 110 5.133 12.157 11.435 840 2HG LYS 110 1HG LYS 110 4.735 11.191 12.856 841 1HD LYS 110 2HD LYS 110 3.606 13.268 13.166 842 2HD LYS 110 1HD LYS 110 5.020 13.338 14.219 843 1HE LYS 110 2HE LYS 110 4.651 15.428 12.856 844 2HE LYS 110 1HE LYS 110 6.231 14.682 12.617 845 1HZ LYS 110 1HZ LYS 110 5.775 14.262 10.496 846 2HZ LYS 110 2HZ LYS 110 4.449 15.311 10.659 847 3HZ LYS 110 3HZ LYS 110 4.238 13.636 10.849 848 H SER 111 H SER 111 5.622 9.109 11.104 849 HA SER 111 HA SER 111 6.714 9.856 8.463 850 1HB SER 111 2HB SER 111 5.123 7.390 9.186 851 2HB SER 111 1HB SER 111 5.923 7.721 7.652 852 HG SER 111 HG SER 111 6.936 6.760 9.990 853 H LYS 112 H LYS 112 5.421 10.747 6.962 854 HA LYS 112 HA LYS 112 2.508 10.745 7.398 855 1HB LYS 112 2HB LYS 112 3.471 12.881 8.275 856 2HB LYS 112 1HB LYS 112 4.094 13.215 6.659 857 1HG LYS 112 2HG LYS 112 1.795 13.102 5.754 858 2HG LYS 112 1HG LYS 112 1.177 12.800 7.378 859 1HD LYS 112 2HD LYS 112 2.209 14.975 8.102 860 2HD LYS 112 1HD LYS 112 2.614 15.287 6.413 861 1HE LYS 112 2HE LYS 112 -0.138 14.997 7.633 862 2HE LYS 112 1HE LYS 112 0.534 16.400 6.802 863 1HZ LYS 112 1HZ LYS 112 0.755 14.841 4.822 864 2HZ LYS 112 2HZ LYS 112 -0.808 15.374 5.223 865 3HZ LYS 112 3HZ LYS 112 -0.304 13.811 5.655 866 H MET 113 H MET 113 1.464 10.149 5.605 867 HA MET 113 HA MET 113 2.733 10.666 2.989 868 1HB MET 113 2HB MET 113 1.394 8.075 3.801 869 2HB MET 113 1HB MET 113 2.102 8.436 2.226 870 1HG MET 113 2HG MET 113 3.877 7.330 3.224 871 2HG MET 113 1HG MET 113 4.245 8.991 3.689 872 1HE MET 113 1HE MET 113 3.924 5.535 4.701 873 2HE MET 113 2HE MET 113 2.185 5.812 4.768 874 3HE MET 113 3HE MET 113 3.070 5.456 6.249 875 H ASP 114 H ASP 114 1.163 10.347 1.169 876 HA ASP 114 HA ASP 114 -1.654 10.656 1.827 877 1HB ASP 114 2HB ASP 114 -0.535 12.963 1.953 878 2HB ASP 114 1HB ASP 114 -0.329 12.827 0.208 879 H ALA 115 H ALA 115 -2.923 11.001 -0.299 880 HA ALA 115 HA ALA 115 -1.593 9.509 -2.480 881 1HB ALA 115 1HB ALA 115 -3.936 8.570 -2.926 882 2HB ALA 115 2HB ALA 115 -4.344 9.133 -1.306 883 3HB ALA 115 3HB ALA 115 -3.074 7.931 -1.527 884 H LEU 116 H LEU 116 -1.155 11.443 -3.595 885 HA LEU 116 HA LEU 116 -3.446 13.084 -4.412 886 1HB LEU 116 2HB LEU 116 -0.656 13.622 -5.339 887 2HB LEU 116 1HB LEU 116 -1.939 14.758 -4.912 888 HG LEU 116 HG LEU 116 -0.402 13.023 -2.955 889 1HD1 LEU 116 1HD1 LEU 116 -0.372 16.036 -3.210 890 2HD1 LEU 116 2HD1 LEU 116 0.801 15.010 -4.035 891 3HD1 LEU 116 3HD1 LEU 116 0.719 15.015 -2.274 892 1HD2 LEU 116 1HD2 LEU 116 -1.601 14.602 -1.312 893 2HD2 LEU 116 2HD2 LEU 116 -2.586 13.350 -2.067 894 3HD2 LEU 116 3HD2 LEU 116 -2.663 15.009 -2.659 895 HA PRO 117 HA PRO 117 -3.574 11.266 -8.436 896 1HB PRO 117 2HB PRO 117 -4.595 13.296 -9.914 897 2HB PRO 117 1HB PRO 117 -5.555 12.436 -8.695 898 1HG PRO 117 2HG PRO 117 -4.250 15.103 -8.542 899 2HG PRO 117 1HG PRO 117 -5.808 14.566 -7.892 900 1HD PRO 117 2HD PRO 117 -3.490 14.808 -6.389 901 2HD PRO 117 1HD PRO 117 -4.866 13.769 -5.955 902 H LEU 118 H LEU 118 -2.260 10.985 -10.192 903 HA LEU 118 HA LEU 118 0.265 11.966 -10.387 904 1HB LEU 118 2HB LEU 118 -1.449 11.396 -12.813 905 2HB LEU 118 1HB LEU 118 0.305 11.255 -12.687 906 HG LEU 118 HG LEU 118 -1.758 9.585 -11.223 907 1HD1 LEU 118 1HD1 LEU 118 -1.221 9.079 -13.658 908 2HD1 LEU 118 2HD1 LEU 118 -0.906 7.761 -12.529 909 3HD1 LEU 118 3HD1 LEU 118 0.429 8.739 -13.138 910 1HD2 LEU 118 1HD2 LEU 118 -0.030 9.810 -9.646 911 2HD2 LEU 118 2HD2 LEU 118 1.218 9.906 -10.888 912 3HD2 LEU 118 3HD2 LEU 118 0.448 8.360 -10.529 913 H SER 119 H SER 119 0.699 14.095 -10.116 914 HA SER 119 HA SER 119 -0.819 16.225 -11.194 915 1HB SER 119 2HB SER 119 2.088 16.217 -10.351 916 2HB SER 119 1HB SER 119 1.070 17.640 -10.553 917 HG SER 119 HG SER 119 0.413 15.496 -8.821 918 H GLU 120 H GLU 120 0.245 17.900 -12.682 919 HA GLU 120 HA GLU 120 0.474 16.870 -15.256 920 1HB GLU 120 2HB GLU 120 1.295 19.077 -15.906 921 2HB GLU 120 1HB GLU 120 -0.018 19.242 -14.738 922 1HG GLU 120 2HG GLU 120 1.714 19.420 -12.923 923 2HG GLU 120 1HG GLU 120 2.953 19.454 -14.177 924 H GLU 121 H GLU 121 2.908 17.334 -12.789 925 HA GLU 121 HA GLU 121 5.229 17.201 -14.365 926 1HB GLU 121 2HB GLU 121 5.109 17.767 -11.909 927 2HB GLU 121 1HB GLU 121 4.910 16.043 -11.590 928 1HG GLU 121 2HG GLU 121 7.255 16.532 -11.375 929 2HG GLU 121 1HG GLU 121 7.044 15.650 -12.887 930 H TYR 122 H TYR 122 3.118 14.678 -13.098 931 HA TYR 122 HA TYR 122 4.724 12.439 -13.568 932 1HB TYR 122 2HB TYR 122 2.693 12.155 -12.340 933 2HB TYR 122 1HB TYR 122 1.725 12.795 -13.669 934 HD1 TYR 122 1HD TYR 122 4.076 10.015 -12.804 935 HD2 TYR 122 2HD TYR 122 0.839 11.347 -15.294 936 HE1 TYR 122 1HE TYR 122 3.832 7.721 -13.715 937 HE2 TYR 122 2HE TYR 122 0.616 9.060 -16.226 938 HH TYR 122 HH TYR 122 1.211 6.639 -15.305 939 H ARG 123 H ARG 123 2.425 14.082 -15.728 940 HA ARG 123 HA ARG 123 2.719 12.364 -17.939 941 1HB ARG 123 2HB ARG 123 2.127 15.335 -17.970 942 2HB ARG 123 1HB ARG 123 1.768 14.179 -19.254 943 1HG ARG 123 2HG ARG 123 0.681 13.884 -16.446 944 2HG ARG 123 1HG ARG 123 -0.182 14.754 -17.715 945 1HD ARG 123 2HD ARG 123 0.121 12.633 -19.136 946 2HD ARG 123 1HD ARG 123 0.566 11.830 -17.633 947 HE ARG 123 HE ARG 123 -1.917 13.268 -17.419 948 1HH1 ARG 123 1HH2 ARG 123 -0.381 10.363 -18.502 949 2HH1 ARG 123 2HH2 ARG 123 -1.808 9.391 -18.361 950 1HH2 ARG 123 1HH1 ARG 123 -3.792 12.000 -17.228 951 2HH2 ARG 123 2HH1 ARG 123 -3.739 10.318 -17.638 952 H GLN 124 H GLN 124 4.421 15.365 -17.075 953 HA GLN 124 HA GLN 124 6.086 15.463 -19.358 954 1HB GLN 124 2HB GLN 124 5.682 17.346 -17.736 955 2HB GLN 124 1HB GLN 124 6.743 16.513 -16.598 956 1HG GLN 124 2HG GLN 124 8.545 16.538 -18.331 957 2HG GLN 124 1HG GLN 124 7.487 17.493 -19.368 958 1HE2 GLN 124 1HE2 GLN 124 7.824 19.707 -19.189 959 2HE2 GLN 124 2HE2 GLN 124 8.426 20.492 -17.810 960 H HIS 125 H HIS 125 6.392 13.846 -16.242 961 HA HIS 125 HA HIS 125 9.092 13.124 -16.348 962 1HB HIS 125 2HB HIS 125 8.330 12.478 -14.318 963 2HB HIS 125 1HB HIS 125 6.691 12.214 -14.914 964 HD1 HIS 125 1HD HIS 125 9.991 10.487 -14.453 965 HD2 HIS 125 2HD HIS 125 6.170 9.575 -15.846 966 HE1 HIS 125 1HE HIS 125 9.899 7.967 -14.693 967 HE2 HIS 125 2HE HIS 125 7.575 7.395 -15.541 968 H GLN 126 H GLN 126 6.232 11.542 -17.716 969 HA GLN 126 HA GLN 126 7.304 9.152 -18.585 970 1HB GLN 126 2HB GLN 126 5.323 10.927 -20.033 971 2HB GLN 126 1HB GLN 126 5.607 9.223 -20.387 972 1HG GLN 126 2HG GLN 126 4.945 8.630 -18.086 973 2HG GLN 126 1HG GLN 126 4.663 10.332 -17.728 974 1HE2 GLN 126 1HE2 GLN 126 2.565 8.359 -17.556 975 2HE2 GLN 126 2HE2 GLN 126 1.422 8.712 -18.759 976 H ALA 127 H ALA 127 8.109 12.322 -19.598 977 HA ALA 127 HA ALA 127 8.914 11.877 -22.258 978 1HB ALA 127 1HB ALA 127 8.686 14.122 -21.230 979 2HB ALA 127 2HB ALA 127 10.257 13.900 -22.001 980 3HB ALA 127 3HB ALA 127 10.113 13.797 -20.246 981 H GLU 128 H GLU 128 10.423 11.123 -19.204 982 HA GLU 128 HA GLU 128 13.065 10.719 -20.247 983 1HB GLU 128 2HB GLU 128 13.629 9.950 -18.081 984 2HB GLU 128 1HB GLU 128 12.404 11.192 -17.813 985 1HG GLU 128 2HG GLU 128 10.684 9.294 -17.860 986 2HG GLU 128 1HG GLU 128 12.054 8.191 -17.739 987 H LYS 129 H LYS 129 10.314 8.614 -19.490 988 HA LYS 129 HA LYS 129 11.772 6.255 -20.402 989 1HB LYS 129 2HB LYS 129 9.495 5.159 -19.881 990 2HB LYS 129 1HB LYS 129 10.432 5.788 -18.525 991 1HG LYS 129 2HG LYS 129 9.098 7.785 -18.424 992 2HG LYS 129 1HG LYS 129 8.295 7.395 -19.945 993 1HD LYS 129 2HD LYS 129 6.874 6.863 -17.972 994 2HD LYS 129 1HD LYS 129 7.252 5.429 -18.927 995 1HE LYS 129 2HE LYS 129 7.523 5.304 -16.336 996 2HE LYS 129 1HE LYS 129 8.797 4.628 -17.351 997 1HZ LYS 129 1HZ LYS 129 10.226 6.279 -16.826 998 2HZ LYS 129 2HZ LYS 129 9.286 6.340 -15.411 999 3HZ LYS 129 3HZ LYS 129 9.011 7.453 -16.665 1000 H ASP 130 H ASP 130 9.146 8.366 -21.429 1001 HA ASP 130 HA ASP 130 8.891 6.810 -23.925 1002 1HB ASP 130 2HB ASP 130 7.050 8.871 -22.691 1003 2HB ASP 130 1HB ASP 130 6.771 8.062 -24.232 1004 H LYS 131 H LYS 131 8.836 7.935 -25.939 1005 HA LYS 131 HA LYS 131 9.551 10.730 -26.069 1006 1HB LYS 131 2HB LYS 131 11.698 10.324 -27.270 1007 2HB LYS 131 1HB LYS 131 11.751 9.830 -25.577 1008 1HG LYS 131 2HG LYS 131 11.380 7.504 -26.197 1009 2HG LYS 131 1HG LYS 131 11.180 7.956 -27.891 1010 1HD LYS 131 2HD LYS 131 13.452 7.104 -27.505 1011 2HD LYS 131 1HD LYS 131 13.505 8.818 -27.920 1012 1HE LYS 131 2HE LYS 131 13.311 8.050 -25.031 1013 2HE LYS 131 1HE LYS 131 14.869 7.899 -25.843 1014 1HZ LYS 131 1HZ LYS 131 15.138 10.068 -25.616 1015 2HZ LYS 131 2HZ LYS 131 13.606 10.224 -24.897 1016 3HZ LYS 131 3HZ LYS 131 13.773 10.348 -26.583 Start of MODEL 19 1 H MET 1 1H MET 1 -13.172 -25.619 3.711 2 HA MET 1 HA MET 1 -13.466 -22.827 4.230 3 1HB MET 1 2HB MET 1 -15.316 -23.757 5.656 4 2HB MET 1 1HB MET 1 -14.115 -24.753 6.481 5 1HG MET 1 2HG MET 1 -12.864 -22.681 7.085 6 2HG MET 1 1HG MET 1 -14.147 -21.724 6.347 7 1HE MET 1 1HE MET 1 -12.769 -23.379 9.343 8 2HE MET 1 2HE MET 1 -13.663 -24.785 8.770 9 3HE MET 1 3HE MET 1 -14.128 -24.012 10.284 10 H GLY 2 H GLY 2 -11.314 -23.376 3.309 11 1HA GLY 2 2HA GLY 2 -9.461 -24.989 4.764 12 2HA GLY 2 1HA GLY 2 -9.060 -23.832 3.498 13 H CYS 3 H CYS 3 -7.686 -24.314 6.035 14 HA CYS 3 HA CYS 3 -8.219 -22.379 7.984 15 1HB CYS 3 2HB CYS 3 -5.560 -23.546 7.128 16 2HB CYS 3 1HB CYS 3 -5.838 -22.647 8.619 17 HG CYS 3 HG CYS 3 -7.466 -24.557 9.399 18 H GLY 4 H GLY 4 -6.427 -22.170 4.954 19 1HA GLY 4 2HA GLY 4 -6.056 -20.249 3.676 20 2HA GLY 4 1HA GLY 4 -6.626 -19.269 5.024 21 H ALA 5 H ALA 5 -4.368 -21.623 5.953 22 HA ALA 5 HA ALA 5 -2.262 -21.410 6.863 23 1HB ALA 5 1HB ALA 5 -0.576 -20.761 5.316 24 2HB ALA 5 2HB ALA 5 -1.687 -19.710 4.436 25 3HB ALA 5 3HB ALA 5 -1.870 -21.462 4.345 26 H SER 6 H SER 6 -4.171 -19.462 7.758 27 HA SER 6 HA SER 6 -3.243 -16.823 7.759 28 1HB SER 6 2HB SER 6 -4.668 -18.262 10.007 29 2HB SER 6 1HB SER 6 -4.590 -16.518 9.768 30 HG SER 6 HG SER 6 -6.198 -18.375 8.602 31 H SER 7 H SER 7 -2.247 -19.612 9.643 32 HA SER 7 HA SER 7 -0.830 -18.359 11.697 33 1HB SER 7 2HB SER 7 -0.094 -20.930 10.280 34 2HB SER 7 1HB SER 7 0.423 -20.440 11.891 35 HG SER 7 HG SER 7 -1.696 -20.561 12.577 36 H GLU 8 H GLU 8 0.087 -19.030 8.359 37 HA GLU 8 HA GLU 8 2.421 -17.269 8.716 38 1HB GLU 8 2HB GLU 8 3.152 -19.664 8.816 39 2HB GLU 8 1HB GLU 8 2.516 -19.877 7.185 40 1HG GLU 8 2HG GLU 8 4.008 -18.051 6.392 41 2HG GLU 8 1HG GLU 8 4.684 -17.929 8.016 42 H ASN 9 H ASN 9 2.541 -15.753 7.182 43 HA ASN 9 HA ASN 9 1.810 -16.203 4.455 44 1HB ASN 9 2HB ASN 9 -0.435 -15.956 5.634 45 2HB ASN 9 1HB ASN 9 0.023 -14.282 5.945 46 1HD2 ASN 9 1HD2 ASN 9 -0.723 -12.869 4.367 47 2HD2 ASN 9 2HD2 ASN 9 -0.981 -13.273 2.739 48 H SER 10 H SER 10 2.297 -14.398 3.106 49 HA SER 10 HA SER 10 4.503 -12.862 3.949 50 1HB SER 10 2HB SER 10 4.334 -11.752 1.807 51 2HB SER 10 1HB SER 10 3.975 -13.462 1.580 52 HG SER 10 HG SER 10 2.479 -11.440 0.906 53 H SER 11 H SER 11 1.069 -12.266 4.031 54 HA SER 11 HA SER 11 -0.140 -10.623 5.101 55 1HB SER 11 2HB SER 11 1.933 -10.791 6.705 56 2HB SER 11 1HB SER 11 2.372 -9.247 5.982 57 HG SER 11 HG SER 11 1.013 -8.491 7.404 58 H VAL 12 H VAL 12 1.391 -10.366 2.407 59 HA VAL 12 HA VAL 12 0.530 -7.606 1.932 60 HB VAL 12 HB VAL 12 3.246 -8.544 1.004 61 1HG1 VAL 12 1HG1 VAL 12 2.076 -6.719 -0.252 62 2HG1 VAL 12 2HG1 VAL 12 3.571 -6.181 0.515 63 3HG1 VAL 12 3HG1 VAL 12 2.014 -5.782 1.241 64 1HG2 VAL 12 1HG2 VAL 12 3.329 -8.460 3.428 65 2HG2 VAL 12 2HG2 VAL 12 2.476 -6.918 3.446 66 3HG2 VAL 12 3HG2 VAL 12 4.116 -7.012 2.804 67 H THR 13 H THR 13 -0.382 -7.338 -0.038 68 HA THR 13 HA THR 13 -0.055 -9.513 -2.013 69 HB THR 13 HB THR 13 -2.669 -8.078 -1.583 70 HG1 THR 13 1HG THR 13 -3.108 -9.366 0.014 71 1HG2 THR 13 1HG2 THR 13 -3.572 -9.941 -2.810 72 2HG2 THR 13 2HG2 THR 13 -2.039 -10.811 -2.721 73 3HG2 THR 13 3HG2 THR 13 -2.172 -9.355 -3.707 74 H TYR 14 H TYR 14 0.010 -8.902 -4.148 75 HA TYR 14 HA TYR 14 0.037 -5.987 -4.656 76 1HB TYR 14 2HB TYR 14 1.615 -8.169 -6.042 77 2HB TYR 14 1HB TYR 14 1.666 -6.452 -6.442 78 HD1 TYR 14 1HD TYR 14 2.614 -4.811 -4.842 79 HD2 TYR 14 2HD TYR 14 2.721 -9.037 -4.078 80 HE1 TYR 14 1HE TYR 14 4.318 -4.449 -3.079 81 HE2 TYR 14 2HE TYR 14 4.426 -8.675 -2.314 82 HH TYR 14 HH TYR 14 5.597 -5.394 -1.537 83 H VAL 15 H VAL 15 -0.479 -5.402 -6.940 84 HA VAL 15 HA VAL 15 -2.250 -7.292 -8.310 85 HB VAL 15 HB VAL 15 -3.995 -6.302 -7.209 86 1HG1 VAL 15 1HG1 VAL 15 -3.916 -3.923 -6.410 87 2HG1 VAL 15 2HG1 VAL 15 -2.273 -3.812 -7.039 88 3HG1 VAL 15 3HG1 VAL 15 -2.641 -4.932 -5.728 89 1HG2 VAL 15 1HG2 VAL 15 -3.475 -4.055 -9.170 90 2HG2 VAL 15 2HG2 VAL 15 -5.031 -4.682 -8.627 91 3HG2 VAL 15 3HG2 VAL 15 -4.014 -5.653 -9.691 92 H ASN 16 H ASN 16 -1.031 -3.939 -8.314 93 HA ASN 16 HA ASN 16 -1.153 -3.791 -11.200 94 1HB ASN 16 2HB ASN 16 0.059 -1.889 -9.181 95 2HB ASN 16 1HB ASN 16 -0.203 -1.546 -10.890 96 1HD2 ASN 16 1HD2 ASN 16 -1.506 -0.677 -8.082 97 2HD2 ASN 16 2HD2 ASN 16 -3.159 -0.660 -8.473 98 H GLY 17 H GLY 17 0.891 -5.348 -9.179 99 1HA GLY 17 2HA GLY 17 2.740 -6.459 -10.515 100 2HA GLY 17 1HA GLY 17 3.273 -4.814 -10.851 101 H ARG 18 H ARG 18 4.899 -6.743 -9.598 102 HA ARG 18 HA ARG 18 4.926 -6.022 -6.755 103 1HB ARG 18 2HB ARG 18 6.379 -8.095 -8.394 104 2HB ARG 18 1HB ARG 18 6.854 -7.714 -6.739 105 1HG ARG 18 2HG ARG 18 5.281 -9.618 -6.793 106 2HG ARG 18 1HG ARG 18 4.574 -8.234 -5.957 107 1HD ARG 18 2HD ARG 18 3.141 -9.485 -7.745 108 2HD ARG 18 1HD ARG 18 3.142 -7.724 -7.737 109 HE ARG 18 HE ARG 18 4.163 -7.791 -9.812 110 1HH1 ARG 18 1HH2 ARG 18 4.589 -10.793 -8.145 111 2HH1 ARG 18 2HH2 ARG 18 5.352 -11.586 -9.483 112 1HH2 ARG 18 1HH1 ARG 18 5.162 -8.824 -11.571 113 2HH2 ARG 18 2HH1 ARG 18 5.677 -10.471 -11.422 114 HA PRO 19 HA PRO 19 7.987 -2.887 -7.139 115 1HB PRO 19 2HB PRO 19 9.176 -4.105 -4.695 116 2HB PRO 19 1HB PRO 19 8.640 -2.440 -4.980 117 1HG PRO 19 2HG PRO 19 7.220 -4.102 -3.473 118 2HG PRO 19 1HG PRO 19 6.438 -2.928 -4.545 119 1HD PRO 19 2HD PRO 19 6.720 -5.891 -4.879 120 2HD PRO 19 1HD PRO 19 5.389 -4.822 -5.369 121 H THR 20 H THR 20 10.127 -2.607 -7.819 122 HA THR 20 HA THR 20 11.477 -4.991 -8.771 123 HB THR 20 HB THR 20 11.286 -2.798 -10.056 124 HG1 THR 20 1HG THR 20 13.839 -3.918 -9.542 125 1HG2 THR 20 1HG2 THR 20 13.693 -1.855 -8.584 126 2HG2 THR 20 2HG2 THR 20 12.134 -1.625 -7.793 127 3HG2 THR 20 3HG2 THR 20 12.428 -0.924 -9.384 128 H PHE 21 H PHE 21 11.587 -2.985 -6.008 129 HA PHE 21 HA PHE 21 14.265 -4.012 -5.292 130 1HB PHE 21 2HB PHE 21 14.065 -1.544 -5.331 131 2HB PHE 21 1HB PHE 21 12.767 -1.645 -4.141 132 HD1 PHE 21 1HD PHE 21 16.369 -2.361 -4.729 133 HD2 PHE 21 2HD PHE 21 13.229 -1.982 -1.822 134 HE1 PHE 21 1HE PHE 21 18.047 -2.445 -2.905 135 HE2 PHE 21 2HE PHE 21 14.907 -2.066 0.001 136 HZ PHE 21 HZ PHE 21 17.316 -2.298 -0.540 137 H VAL 22 H VAL 22 14.575 -4.972 -3.274 138 HA VAL 22 HA VAL 22 12.147 -5.545 -1.697 139 HB VAL 22 HB VAL 22 12.678 -7.463 -3.215 140 1HG1 VAL 22 1HG1 VAL 22 14.701 -8.715 -2.921 141 2HG1 VAL 22 2HG1 VAL 22 15.152 -7.776 -1.498 142 3HG1 VAL 22 3HG1 VAL 22 15.186 -7.028 -3.095 143 1HG2 VAL 22 1HG2 VAL 22 11.752 -7.554 -0.740 144 2HG2 VAL 22 2HG2 VAL 22 13.302 -8.325 -0.408 145 3HG2 VAL 22 3HG2 VAL 22 12.192 -9.045 -1.573 146 H GLY 23 H GLY 23 12.903 -6.771 0.404 147 1HA GLY 23 2HA GLY 23 15.496 -5.980 1.413 148 2HA GLY 23 1HA GLY 23 14.156 -5.072 2.105 149 H GLU 24 H GLU 24 13.149 -5.918 3.826 150 HA GLU 24 HA GLU 24 13.029 -8.807 4.206 151 1HB GLU 24 2HB GLU 24 15.194 -8.076 5.233 152 2HB GLU 24 1HB GLU 24 14.273 -7.032 6.316 153 1HG GLU 24 2HG GLU 24 13.031 -9.001 7.150 154 2HG GLU 24 1HG GLU 24 13.975 -10.041 6.085 155 H GLU 25 H GLU 25 12.571 -5.784 6.058 156 HA GLU 25 HA GLU 25 10.020 -6.784 7.068 157 1HB GLU 25 2HB GLU 25 11.657 -5.588 8.546 158 2HB GLU 25 1HB GLU 25 11.356 -4.125 7.608 159 1HG GLU 25 2HG GLU 25 8.935 -4.310 8.148 160 2HG GLU 25 1HG GLU 25 9.288 -5.713 9.152 161 H VAL 26 H VAL 26 8.315 -6.578 5.761 162 HA VAL 26 HA VAL 26 8.061 -4.097 4.169 163 HB VAL 26 HB VAL 26 6.657 -6.700 3.580 164 1HG1 VAL 26 1HG1 VAL 26 7.371 -4.266 1.915 165 2HG1 VAL 26 2HG1 VAL 26 5.765 -4.662 2.527 166 3HG1 VAL 26 3HG1 VAL 26 6.529 -5.696 1.319 167 1HG2 VAL 26 1HG2 VAL 26 8.467 -7.077 1.895 168 2HG2 VAL 26 2HG2 VAL 26 9.057 -7.164 3.555 169 3HG2 VAL 26 3HG2 VAL 26 9.353 -5.719 2.589 170 H THR 27 H THR 27 6.291 -2.855 4.439 171 HA THR 27 HA THR 27 4.028 -3.935 5.989 172 HB THR 27 HB THR 27 4.010 -2.166 7.511 173 HG1 THR 27 1HG THR 27 4.751 -0.217 7.051 174 1HG2 THR 27 1HG2 THR 27 6.975 -2.366 6.990 175 2HG2 THR 27 2HG2 THR 27 6.057 -3.712 7.664 176 3HG2 THR 27 3HG2 THR 27 6.149 -2.182 8.536 177 H LYS 28 H LYS 28 2.143 -2.324 5.911 178 HA LYS 28 HA LYS 28 2.000 -1.160 3.195 179 1HB LYS 28 2HB LYS 28 -0.543 -1.557 3.572 180 2HB LYS 28 1HB LYS 28 0.475 -2.935 3.151 181 1HG LYS 28 2HG LYS 28 0.672 -3.531 5.532 182 2HG LYS 28 1HG LYS 28 -0.330 -2.146 5.967 183 1HD LYS 28 2HD LYS 28 -2.202 -3.075 4.669 184 2HD LYS 28 1HD LYS 28 -1.204 -4.453 4.202 185 1HE LYS 28 2HE LYS 28 -2.780 -4.828 6.184 186 2HE LYS 28 1HE LYS 28 -1.090 -5.258 6.444 187 1HZ LYS 28 1HZ LYS 28 -0.721 -3.385 7.720 188 2HZ LYS 28 2HZ LYS 28 -2.286 -3.841 8.197 189 3HZ LYS 28 3HZ LYS 28 -2.067 -2.557 7.105 190 H GLY 29 H GLY 29 2.517 0.945 3.689 191 1HA GLY 29 2HA GLY 29 1.985 2.520 5.816 192 2HA GLY 29 1HA GLY 29 1.881 3.131 4.167 193 H PHE 30 H PHE 30 -0.262 2.511 3.039 194 HA PHE 30 HA PHE 30 -2.411 3.504 4.705 195 1HB PHE 30 2HB PHE 30 -2.438 2.610 1.813 196 2HB PHE 30 1HB PHE 30 -3.716 3.504 2.636 197 HD1 PHE 30 1HD PHE 30 -3.291 5.828 3.458 198 HD2 PHE 30 2HD PHE 30 -0.449 3.704 1.037 199 HE1 PHE 30 1HE PHE 30 -2.130 7.959 2.950 200 HE2 PHE 30 2HE PHE 30 0.712 5.836 0.530 201 HZ PHE 30 HZ PHE 30 -0.129 7.964 1.487 202 H GLU 31 H GLU 31 -3.648 2.232 5.911 203 HA GLU 31 HA GLU 31 -3.617 -0.611 5.722 204 1HB GLU 31 2HB GLU 31 -5.468 1.262 7.216 205 2HB GLU 31 1HB GLU 31 -5.431 -0.490 7.423 206 1HG GLU 31 2HG GLU 31 -3.035 1.322 7.823 207 2HG GLU 31 1HG GLU 31 -4.065 0.738 9.129 208 H LYS 32 H LYS 32 -5.712 1.902 4.465 209 HA LYS 32 HA LYS 32 -7.927 0.274 3.780 210 1HB LYS 32 2HB LYS 32 -7.783 2.840 3.856 211 2HB LYS 32 1HB LYS 32 -7.080 2.724 2.243 212 1HG LYS 32 2HG LYS 32 -9.069 1.419 1.504 213 2HG LYS 32 1HG LYS 32 -9.783 1.650 3.100 214 1HD LYS 32 2HD LYS 32 -9.528 4.149 2.735 215 2HD LYS 32 1HD LYS 32 -9.109 3.783 1.060 216 1HE LYS 32 2HE LYS 32 -11.480 4.249 1.140 217 2HE LYS 32 1HE LYS 32 -11.280 2.517 0.873 218 1HZ LYS 32 1HZ LYS 32 -12.577 3.826 2.998 219 2HZ LYS 32 2HZ LYS 32 -11.268 2.942 3.621 220 3HZ LYS 32 3HZ LYS 32 -12.458 2.162 2.695 221 H ASP 33 H ASP 33 -8.583 -0.387 1.628 222 HA ASP 33 HA ASP 33 -8.237 -1.605 -0.290 223 1HB ASP 33 2HB ASP 33 -6.016 0.432 -0.564 224 2HB ASP 33 1HB ASP 33 -6.508 -0.675 -1.846 225 H ASN 34 H ASN 34 -6.126 -2.541 -1.645 226 HA ASN 34 HA ASN 34 -5.202 -4.690 -0.137 227 1HB ASN 34 2HB ASN 34 -5.195 -4.539 -2.635 228 2HB ASN 34 1HB ASN 34 -3.800 -3.467 -2.522 229 1HD2 ASN 34 1HD2 ASN 34 -3.336 -5.793 -3.899 230 2HD2 ASN 34 2HD2 ASN 34 -2.436 -6.885 -2.963 231 H GLY 35 H GLY 35 -3.788 -1.504 -0.645 232 1HA GLY 35 2HA GLY 35 -2.424 -1.199 1.669 233 2HA GLY 35 1HA GLY 35 -1.316 -2.177 0.711 234 H LEU 36 H LEU 36 -2.433 -0.847 -1.776 235 HA LEU 36 HA LEU 36 -1.862 0.895 -3.157 236 1HB LEU 36 2HB LEU 36 -1.623 2.569 -0.654 237 2HB LEU 36 1HB LEU 36 -2.024 3.106 -2.286 238 HG LEU 36 HG LEU 36 -3.719 1.330 -0.506 239 1HD1 LEU 36 1HD1 LEU 36 -3.674 3.811 -0.027 240 2HD1 LEU 36 2HD1 LEU 36 -5.261 3.189 -0.480 241 3HD1 LEU 36 3HD1 LEU 36 -4.293 4.074 -1.657 242 1HD2 LEU 36 1HD2 LEU 36 -5.374 1.726 -2.466 243 2HD2 LEU 36 2HD2 LEU 36 -4.098 0.532 -2.700 244 3HD2 LEU 36 3HD2 LEU 36 -3.940 2.140 -3.406 245 H LEU 37 H LEU 37 -0.009 1.916 -0.303 246 HA LEU 37 HA LEU 37 2.457 1.591 -1.904 247 1HB LEU 37 2HB LEU 37 1.902 3.933 -1.305 248 2HB LEU 37 1HB LEU 37 1.949 3.487 0.400 249 HG LEU 37 HG LEU 37 4.329 2.564 -0.168 250 1HD1 LEU 37 1HD1 LEU 37 5.354 3.283 -2.103 251 2HD1 LEU 37 2HD1 LEU 37 4.371 4.744 -2.206 252 3HD1 LEU 37 3HD1 LEU 37 3.695 3.189 -2.694 253 1HD2 LEU 37 1HD2 LEU 37 5.246 4.945 0.108 254 2HD2 LEU 37 2HD2 LEU 37 4.105 4.402 1.339 255 3HD2 LEU 37 3HD2 LEU 37 3.568 5.484 0.053 256 H PHE 38 H PHE 38 3.922 0.175 -1.205 257 HA PHE 38 HA PHE 38 3.642 -0.881 1.541 258 1HB PHE 38 2HB PHE 38 4.931 -2.166 -0.880 259 2HB PHE 38 1HB PHE 38 4.748 -2.902 0.712 260 HD1 PHE 38 1HD PHE 38 3.110 -2.080 -2.429 261 HD2 PHE 38 2HD PHE 38 2.451 -3.365 1.615 262 HE1 PHE 38 1HE PHE 38 0.832 -2.842 -3.043 263 HE2 PHE 38 2HE PHE 38 0.172 -4.128 1.003 264 HZ PHE 38 HZ PHE 38 -0.638 -3.866 -1.327 265 H ARG 39 H ARG 39 5.200 -0.421 2.951 266 HA ARG 39 HA ARG 39 7.549 1.035 2.110 267 1HB ARG 39 2HB ARG 39 6.316 1.545 4.220 268 2HB ARG 39 1HB ARG 39 6.844 -0.012 4.861 269 1HG ARG 39 2HG ARG 39 9.190 0.647 4.607 270 2HG ARG 39 1HG ARG 39 8.698 2.185 3.897 271 1HD ARG 39 2HD ARG 39 9.190 2.574 6.230 272 2HD ARG 39 1HD ARG 39 7.445 2.684 6.019 273 HE ARG 39 HE ARG 39 8.241 0.029 6.726 274 1HH1 ARG 39 1HH2 ARG 39 7.725 3.229 7.937 275 2HH1 ARG 39 2HH2 ARG 39 7.351 2.709 9.546 276 1HH2 ARG 39 1HH1 ARG 39 7.752 -0.661 8.835 277 2HH2 ARG 39 2HH1 ARG 39 7.366 0.507 10.055 278 H ILE 40 H ILE 40 9.492 0.217 1.669 279 HA ILE 40 HA ILE 40 10.018 -2.599 2.406 280 HB ILE 40 HB ILE 40 11.298 -1.039 0.154 281 1HG1 ILE 40 2HG1 ILE 40 9.033 -3.053 -0.004 282 2HG1 ILE 40 1HG1 ILE 40 8.809 -1.307 -0.120 283 1HG2 ILE 40 1HG2 ILE 40 12.617 -2.934 0.880 284 2HG2 ILE 40 2HG2 ILE 40 11.813 -3.382 -0.625 285 3HG2 ILE 40 3HG2 ILE 40 11.191 -3.972 0.917 286 1HD1 ILE 40 1HD1 ILE 40 8.961 -2.022 -2.372 287 2HD1 ILE 40 2HD1 ILE 40 10.283 -3.134 -2.017 288 3HD1 ILE 40 3HD1 ILE 40 10.568 -1.393 -2.007 289 H VAL 41 H VAL 41 11.687 -3.012 3.717 290 HA VAL 41 HA VAL 41 13.765 -0.945 4.061 291 HB VAL 41 HB VAL 41 12.454 -2.475 6.321 292 1HG1 VAL 41 1HG1 VAL 41 13.739 -0.688 7.645 293 2HG1 VAL 41 2HG1 VAL 41 14.632 -0.383 6.154 294 3HG1 VAL 41 3HG1 VAL 41 14.704 -1.972 6.918 295 1HG2 VAL 41 1HG2 VAL 41 12.236 0.465 5.601 296 2HG2 VAL 41 2HG2 VAL 41 11.411 -0.362 6.922 297 3HG2 VAL 41 3HG2 VAL 41 10.991 -0.733 5.249 298 H ASN 42 H ASN 42 15.760 -1.739 3.893 299 HA ASN 42 HA ASN 42 16.123 -4.663 4.113 300 1HB ASN 42 2HB ASN 42 16.661 -3.371 1.932 301 2HB ASN 42 1HB ASN 42 18.077 -2.787 2.806 302 1HD2 ASN 42 1HD2 ASN 42 16.600 -6.028 3.154 303 2HD2 ASN 42 2HD2 ASN 42 17.948 -6.876 2.565 304 H LYS 43 H LYS 43 16.686 -5.044 6.193 305 HA LYS 43 HA LYS 43 18.020 -3.340 7.937 306 1HB LYS 43 2HB LYS 43 17.992 -6.365 7.843 307 2HB LYS 43 1HB LYS 43 18.604 -5.421 9.202 308 1HG LYS 43 2HG LYS 43 16.359 -4.283 9.323 309 2HG LYS 43 1HG LYS 43 15.777 -5.425 8.111 310 1HD LYS 43 2HD LYS 43 16.472 -7.298 9.630 311 2HD LYS 43 1HD LYS 43 16.859 -6.095 10.862 312 1HE LYS 43 2HE LYS 43 14.610 -6.938 11.265 313 2HE LYS 43 1HE LYS 43 14.503 -5.263 10.720 314 1HZ LYS 43 1HZ LYS 43 14.389 -7.447 8.754 315 2HZ LYS 43 2HZ LYS 43 13.734 -5.883 8.663 316 3HZ LYS 43 3HZ LYS 43 13.003 -7.058 9.649 317 H LYS 44 H LYS 44 19.298 -5.488 5.479 318 HA LYS 44 HA LYS 44 21.954 -5.706 6.254 319 1HB LYS 44 2HB LYS 44 20.863 -5.368 3.450 320 2HB LYS 44 1HB LYS 44 22.463 -5.988 3.859 321 1HG LYS 44 2HG LYS 44 21.246 -7.745 5.280 322 2HG LYS 44 1HG LYS 44 19.776 -7.240 4.447 323 1HD LYS 44 2HD LYS 44 22.302 -8.234 3.094 324 2HD LYS 44 1HD LYS 44 20.827 -9.175 3.318 325 1HE LYS 44 2HE LYS 44 19.633 -7.246 2.086 326 2HE LYS 44 1HE LYS 44 21.247 -6.734 1.592 327 1HZ LYS 44 1HZ LYS 44 21.425 -9.266 0.968 328 2HZ LYS 44 2HZ LYS 44 20.748 -8.136 -0.104 329 3HZ LYS 44 3HZ LYS 44 19.740 -9.125 0.840 330 H LYS 45 H LYS 45 20.790 -3.360 3.826 331 HA LYS 45 HA LYS 45 23.066 -1.629 4.468 332 1HB LYS 45 2HB LYS 45 20.997 -1.278 2.291 333 2HB LYS 45 1HB LYS 45 22.564 -0.480 2.418 334 1HG LYS 45 2HG LYS 45 22.168 -3.472 2.114 335 2HG LYS 45 1HG LYS 45 22.605 -2.375 0.804 336 1HD LYS 45 2HD LYS 45 24.577 -1.663 2.324 337 2HD LYS 45 1HD LYS 45 24.226 -3.135 3.231 338 1HE LYS 45 2HE LYS 45 24.322 -4.350 0.964 339 2HE LYS 45 1HE LYS 45 25.071 -2.878 0.343 340 1HZ LYS 45 1HZ LYS 45 26.056 -4.526 2.609 341 2HZ LYS 45 2HZ LYS 45 26.757 -3.071 2.082 342 3HZ LYS 45 3HZ LYS 45 26.750 -4.430 1.064 343 H LYS 46 H LYS 46 19.822 -1.990 5.302 344 HA LYS 46 HA LYS 46 18.367 -0.691 6.515 345 1HB LYS 46 2HB LYS 46 20.990 0.162 7.273 346 2HB LYS 46 1HB LYS 46 19.941 1.577 7.187 347 1HG LYS 46 2HG LYS 46 19.177 -0.974 8.631 348 2HG LYS 46 1HG LYS 46 19.936 0.404 9.429 349 1HD LYS 46 2HD LYS 46 18.016 1.796 8.363 350 2HD LYS 46 1HD LYS 46 17.216 0.239 8.144 351 1HE LYS 46 2HE LYS 46 18.198 1.398 10.768 352 2HE LYS 46 1HE LYS 46 16.516 1.213 10.272 353 1HZ LYS 46 1HZ LYS 46 18.308 -0.724 11.374 354 2HZ LYS 46 2HZ LYS 46 17.589 -1.269 9.934 355 3HZ LYS 46 3HZ LYS 46 16.617 -0.771 11.236 356 H GLN 47 H GLN 47 18.735 -0.287 3.629 357 HA GLN 47 HA GLN 47 18.224 2.588 3.310 358 1HB GLN 47 2HB GLN 47 18.397 2.139 0.900 359 2HB GLN 47 1HB GLN 47 19.817 1.536 1.755 360 1HG GLN 47 2HG GLN 47 18.567 -0.714 1.877 361 2HG GLN 47 1HG GLN 47 17.490 -0.040 0.655 362 1HE2 GLN 47 1HE2 GLN 47 20.344 1.453 -0.002 363 2HE2 GLN 47 2HE2 GLN 47 21.010 0.346 -1.103 364 H TRP 48 H TRP 48 16.229 3.372 3.089 365 HA TRP 48 HA TRP 48 13.981 1.514 3.013 366 1HB TRP 48 2HB TRP 48 14.197 4.499 3.429 367 2HB TRP 48 1HB TRP 48 12.650 3.662 3.295 368 HD1 TRP 48 HD TRP 48 15.236 1.557 4.915 369 HE1 TRP 48 1HE TRP 48 14.848 1.462 7.463 370 HE3 TRP 48 3HE TRP 48 11.788 5.290 5.423 371 HZ2 TRP 48 2HZ TRP 48 13.283 2.795 9.453 372 HZ3 TRP 48 3HZ TRP 48 10.867 5.856 7.654 373 HH2 TRP 48 HH TRP 48 11.609 4.614 9.667 374 H ALA 49 H ALA 49 12.423 1.445 1.414 375 HA ALA 49 HA ALA 49 12.770 3.138 -0.957 376 1HB ALA 49 1HB ALA 49 13.010 0.142 -0.885 377 2HB ALA 49 2HB ALA 49 14.028 1.316 -1.718 378 3HB ALA 49 3HB ALA 49 12.414 0.957 -2.330 379 H TYR 50 H TYR 50 10.883 3.453 -2.133 380 HA TYR 50 HA TYR 50 8.443 2.247 -0.973 381 1HB TYR 50 2HB TYR 50 8.936 5.077 -1.907 382 2HB TYR 50 1HB TYR 50 7.321 4.423 -1.631 383 HD1 TYR 50 1HD TYR 50 10.158 5.971 -0.113 384 HD2 TYR 50 2HD TYR 50 6.885 3.305 0.678 385 HE1 TYR 50 1HE TYR 50 10.397 6.401 2.318 386 HE2 TYR 50 2HE TYR 50 7.123 3.734 3.110 387 HH TYR 50 HH TYR 50 8.665 4.530 4.691 388 H TYR 51 H TYR 51 6.931 1.477 -2.363 389 HA TYR 51 HA TYR 51 7.453 1.816 -5.256 390 1HB TYR 51 2HB TYR 51 8.046 -0.430 -4.785 391 2HB TYR 51 1HB TYR 51 6.668 -0.651 -3.706 392 HD1 TYR 51 1HD TYR 51 7.714 -0.294 -7.238 393 HD2 TYR 51 2HD TYR 51 4.458 -1.117 -4.561 394 HE1 TYR 51 1HE TYR 51 6.342 -1.079 -9.149 395 HE2 TYR 51 2HE TYR 51 3.086 -1.903 -6.470 396 HH TYR 51 HH TYR 51 4.125 -1.484 -9.774 397 H ASN 52 H ASN 52 5.840 2.811 -6.269 398 HA ASN 52 HA ASN 52 3.262 3.123 -4.956 399 1HB ASN 52 2HB ASN 52 4.255 5.069 -6.029 400 2HB ASN 52 1HB ASN 52 4.332 4.214 -7.569 401 1HD2 ASN 52 1HD2 ASN 52 2.908 6.503 -7.747 402 2HD2 ASN 52 2HD2 ASN 52 1.236 6.212 -7.737 403 H ASP 53 H ASP 53 1.733 1.635 -5.198 404 HA ASP 53 HA ASP 53 1.752 -0.149 -7.507 405 1HB ASP 53 2HB ASP 53 1.366 -1.007 -5.190 406 2HB ASP 53 1HB ASP 53 -0.142 -0.096 -5.148 407 H THR 54 H THR 54 -0.238 2.396 -6.085 408 HA THR 54 HA THR 54 -2.502 2.156 -7.722 409 HB THR 54 HB THR 54 -2.746 4.657 -7.242 410 HG1 THR 54 1HG THR 54 -0.607 5.184 -6.950 411 1HG2 THR 54 1HG2 THR 54 -3.789 2.932 -5.847 412 2HG2 THR 54 2HG2 THR 54 -3.180 4.243 -4.837 413 3HG2 THR 54 3HG2 THR 54 -2.284 2.728 -4.952 414 H THR 55 H THR 55 -2.798 2.472 -9.830 415 HA THR 55 HA THR 55 -0.673 3.805 -11.367 416 HB THR 55 HB THR 55 -1.850 2.763 -13.334 417 HG1 THR 55 1HG THR 55 -3.780 2.098 -12.891 418 1HG2 THR 55 1HG2 THR 55 -0.947 0.569 -12.928 419 2HG2 THR 55 2HG2 THR 55 -1.084 0.778 -11.182 420 3HG2 THR 55 3HG2 THR 55 0.092 1.725 -12.093 421 H GLN 56 H GLN 56 -3.047 4.998 -9.767 422 HA GLN 56 HA GLN 56 -3.931 6.802 -11.935 423 1HB GLN 56 2HB GLN 56 -6.046 6.975 -10.324 424 2HB GLN 56 1HB GLN 56 -5.940 5.743 -11.582 425 1HG GLN 56 2HG GLN 56 -4.878 5.233 -8.807 426 2HG GLN 56 1HG GLN 56 -6.576 4.966 -9.197 427 1HE2 GLN 56 1HE2 GLN 56 -4.390 2.952 -8.561 428 2HE2 GLN 56 2HE2 GLN 56 -4.387 1.890 -9.884 429 H TYR 57 H TYR 57 -2.590 6.387 -8.830 430 HA TYR 57 HA TYR 57 -2.619 9.310 -8.428 431 1HB TYR 57 2HB TYR 57 -2.744 7.481 -6.061 432 2HB TYR 57 1HB TYR 57 -3.258 9.162 -6.204 433 HD1 TYR 57 1HD TYR 57 -4.419 5.867 -5.985 434 HD2 TYR 57 2HD TYR 57 -5.144 9.536 -8.098 435 HE1 TYR 57 1HE TYR 57 -6.730 5.121 -6.488 436 HE2 TYR 57 2HE TYR 57 -7.455 8.790 -8.601 437 HH TYR 57 HH TYR 57 -8.508 6.000 -8.682 438 H GLU 58 H GLU 58 -0.775 10.170 -7.449 439 HA GLU 58 HA GLU 58 1.587 8.445 -7.588 440 1HB GLU 58 2HB GLU 58 2.695 10.779 -7.097 441 2HB GLU 58 1HB GLU 58 2.057 10.426 -8.703 442 1HG GLU 58 2HG GLU 58 -0.031 11.572 -8.168 443 2HG GLU 58 1HG GLU 58 0.515 11.848 -6.515 444 H MET 59 H MET 59 2.963 8.077 -5.868 445 HA MET 59 HA MET 59 1.753 8.439 -3.227 446 1HB MET 59 2HB MET 59 3.891 6.669 -4.359 447 2HB MET 59 1HB MET 59 3.838 6.966 -2.621 448 1HG MET 59 2HG MET 59 2.502 4.942 -3.576 449 2HG MET 59 1HG MET 59 1.717 5.984 -2.389 450 1HE MET 59 1HE MET 59 -1.479 5.754 -4.199 451 2HE MET 59 2HE MET 59 -0.592 5.932 -2.687 452 3HE MET 59 3HE MET 59 -0.389 4.472 -3.652 453 H HIS 60 H HIS 60 2.396 9.968 -1.860 454 HA HIS 60 HA HIS 60 5.001 11.282 -2.344 455 1HB HIS 60 2HB HIS 60 2.478 12.366 -1.068 456 2HB HIS 60 1HB HIS 60 4.011 13.235 -1.156 457 HD1 HIS 60 1HD HIS 60 4.403 14.569 -3.236 458 HD2 HIS 60 2HD HIS 60 1.466 11.666 -3.797 459 HE1 HIS 60 1HE HIS 60 3.473 14.931 -5.564 460 HE2 HIS 60 2HE HIS 60 1.681 13.169 -5.922 461 H VAL 61 H VAL 61 6.521 11.027 -0.835 462 HA VAL 61 HA VAL 61 5.699 9.957 1.793 463 HB VAL 61 HB VAL 61 8.298 9.707 0.266 464 1HG1 VAL 61 1HG1 VAL 61 8.878 8.180 2.241 465 2HG1 VAL 61 2HG1 VAL 61 7.547 8.959 3.099 466 3HG1 VAL 61 3HG1 VAL 61 8.927 9.915 2.556 467 1HG2 VAL 61 1HG2 VAL 61 7.740 7.366 0.160 468 2HG2 VAL 61 2HG2 VAL 61 6.308 8.256 -0.360 469 3HG2 VAL 61 3HG2 VAL 61 6.384 7.581 1.268 470 H LEU 62 H LEU 62 6.102 11.092 3.589 471 HA LEU 62 HA LEU 62 8.140 13.201 3.560 472 1HB LEU 62 2HB LEU 62 5.964 14.267 2.947 473 2HB LEU 62 1HB LEU 62 5.302 13.707 4.483 474 HG LEU 62 HG LEU 62 7.253 14.910 5.609 475 1HD1 LEU 62 1HD1 LEU 62 8.015 16.886 4.057 476 2HD1 LEU 62 2HD1 LEU 62 7.571 15.788 2.751 477 3HD1 LEU 62 3HD1 LEU 62 8.812 15.319 3.913 478 1HD2 LEU 62 1HD2 LEU 62 5.112 16.388 4.060 479 2HD2 LEU 62 2HD2 LEU 62 6.158 17.192 5.231 480 3HD2 LEU 62 3HD2 LEU 62 5.079 15.899 5.754 481 H VAL 63 H VAL 63 9.363 11.987 5.001 482 HA VAL 63 HA VAL 63 8.122 11.447 7.630 483 HB VAL 63 HB VAL 63 10.605 10.189 6.440 484 1HG1 VAL 63 1HG1 VAL 63 10.339 8.596 8.297 485 2HG1 VAL 63 2HG1 VAL 63 8.922 9.479 8.863 486 3HG1 VAL 63 3HG1 VAL 63 10.512 10.238 8.914 487 1HG2 VAL 63 1HG2 VAL 63 9.257 8.288 5.904 488 2HG2 VAL 63 2HG2 VAL 63 8.376 9.683 5.282 489 3HG2 VAL 63 3HG2 VAL 63 7.876 8.929 6.796 490 H THR 64 H THR 64 8.891 12.455 9.387 491 HA THR 64 HA THR 64 11.247 14.199 9.048 492 HB THR 64 HB THR 64 9.026 14.304 11.107 493 HG1 THR 64 1HG THR 64 8.058 15.412 9.635 494 1HG2 THR 64 1HG2 THR 64 10.976 15.220 12.110 495 2HG2 THR 64 2HG2 THR 64 10.083 16.608 11.491 496 3HG2 THR 64 3HG2 THR 64 11.480 15.992 10.607 497 H PHE 65 H PHE 65 12.981 14.061 10.420 498 HA PHE 65 HA PHE 65 12.893 11.930 12.469 499 1HB PHE 65 2HB PHE 65 15.287 12.575 10.739 500 2HB PHE 65 1HB PHE 65 15.105 11.225 11.861 501 HD1 PHE 65 1HD PHE 65 13.749 12.699 8.716 502 HD2 PHE 65 2HD PHE 65 14.064 9.202 11.190 503 HE1 PHE 65 1HE PHE 65 12.739 11.331 6.910 504 HE2 PHE 65 2HE PHE 65 13.055 7.834 9.384 505 HZ PHE 65 HZ PHE 65 12.393 8.898 7.244 506 H ASN 66 H ASN 66 14.584 12.163 14.140 507 HA ASN 66 HA ASN 66 14.816 14.961 14.946 508 1HB ASN 66 2HB ASN 66 14.065 13.090 16.501 509 2HB ASN 66 1HB ASN 66 15.737 12.530 16.481 510 1HD2 ASN 66 1HD2 ASN 66 16.957 13.364 18.173 511 2HD2 ASN 66 2HD2 ASN 66 16.687 14.860 18.927 512 H GLU 67 H GLU 67 16.804 15.922 15.561 513 HA GLU 67 HA GLU 67 18.895 15.794 13.819 514 1HB GLU 67 2HB GLU 67 18.890 17.588 15.356 515 2HB GLU 67 1HB GLU 67 18.855 16.505 16.748 516 1HG GLU 67 2HG GLU 67 21.110 15.878 16.474 517 2HG GLU 67 1HG GLU 67 21.158 16.448 14.806 518 H ASP 68 H ASP 68 18.574 13.935 16.833 519 HA ASP 68 HA ASP 68 21.063 12.574 16.569 520 1HB ASP 68 2HB ASP 68 19.788 12.835 18.709 521 2HB ASP 68 1HB ASP 68 18.611 11.677 18.094 522 H CYS 69 H CYS 69 20.953 11.928 14.314 523 HA CYS 69 HA CYS 69 20.038 9.221 14.034 524 1HB CYS 69 2HB CYS 69 18.554 9.646 12.093 525 2HB CYS 69 1HB CYS 69 17.918 10.337 13.585 526 HG CYS 69 HG CYS 69 19.308 12.034 11.353 527 H ASP 70 H ASP 70 21.220 8.156 12.524 528 HA ASP 70 HA ASP 70 23.171 9.753 11.005 529 1HB ASP 70 2HB ASP 70 24.013 7.956 12.511 530 2HB ASP 70 1HB ASP 70 23.138 6.775 11.537 531 H ILE 71 H ILE 71 20.767 9.997 9.872 532 HA ILE 71 HA ILE 71 20.542 7.945 7.776 533 HB ILE 71 HB ILE 71 18.377 9.088 7.264 534 1HG1 ILE 71 2HG1 ILE 71 18.827 10.598 9.844 535 2HG1 ILE 71 1HG1 ILE 71 19.243 11.300 8.280 536 1HG2 ILE 71 1HG2 ILE 71 17.218 8.153 9.140 537 2HG2 ILE 71 2HG2 ILE 71 18.612 8.377 10.197 538 3HG2 ILE 71 3HG2 ILE 71 18.662 7.164 8.917 539 1HD1 ILE 71 1HD1 ILE 71 17.004 11.285 7.541 540 2HD1 ILE 71 2HD1 ILE 71 16.876 11.778 9.230 541 3HD1 ILE 71 3HD1 ILE 71 16.513 10.116 8.766 542 H LYS 72 H LYS 72 20.295 8.608 5.551 543 HA LYS 72 HA LYS 72 21.299 11.297 4.905 544 1HB LYS 72 2HB LYS 72 22.868 10.360 3.256 545 2HB LYS 72 1HB LYS 72 23.260 9.816 4.888 546 1HG LYS 72 2HG LYS 72 21.993 7.712 4.453 547 2HG LYS 72 1HG LYS 72 21.730 8.247 2.793 548 1HD LYS 72 2HD LYS 72 24.222 8.410 2.518 549 2HD LYS 72 1HD LYS 72 24.399 7.694 4.119 550 1HE LYS 72 2HE LYS 72 23.383 5.649 3.426 551 2HE LYS 72 1HE LYS 72 22.802 6.365 1.922 552 1HZ LYS 72 1HZ LYS 72 25.347 5.216 2.516 553 2HZ LYS 72 2HZ LYS 72 25.501 6.788 1.890 554 3HZ LYS 72 3HZ LYS 72 24.661 5.600 1.013 555 H ALA 73 H ALA 73 21.457 11.131 2.213 556 HA ALA 73 HA ALA 73 18.691 10.433 1.437 557 1HB ALA 73 1HB ALA 73 20.144 12.238 -0.351 558 2HB ALA 73 2HB ALA 73 19.967 12.878 1.283 559 3HB ALA 73 3HB ALA 73 18.539 12.409 0.360 560 H LEU 74 H LEU 74 18.331 9.198 -0.355 561 HA LEU 74 HA LEU 74 20.705 7.915 -1.532 562 1HB LEU 74 2HB LEU 74 17.796 7.077 -1.547 563 2HB LEU 74 1HB LEU 74 19.124 6.165 -2.268 564 HG LEU 74 HG LEU 74 19.011 6.953 0.656 565 1HD1 LEU 74 1HD1 LEU 74 17.203 5.332 -0.098 566 2HD1 LEU 74 2HD1 LEU 74 18.295 4.713 1.140 567 3HD1 LEU 74 3HD1 LEU 74 18.498 4.220 -0.542 568 1HD2 LEU 74 1HD2 LEU 74 20.883 5.387 -1.090 569 2HD2 LEU 74 2HD2 LEU 74 20.706 4.923 0.602 570 3HD2 LEU 74 3HD2 LEU 74 21.256 6.545 0.187 571 H GLY 75 H GLY 75 17.699 7.720 -3.192 572 1HA GLY 75 2HA GLY 75 18.749 8.564 -5.655 573 2HA GLY 75 1HA GLY 75 17.034 8.412 -5.284 574 H LYS 76 H LYS 76 16.253 10.261 -6.189 575 HA LYS 76 HA LYS 76 17.558 12.798 -5.976 576 1HB LYS 76 2HB LYS 76 15.580 13.693 -7.046 577 2HB LYS 76 1HB LYS 76 15.999 12.166 -7.826 578 1HG LYS 76 2HG LYS 76 14.354 11.028 -6.279 579 2HG LYS 76 1HG LYS 76 13.836 12.633 -5.759 580 1HD LYS 76 2HD LYS 76 13.773 11.595 -8.609 581 2HD LYS 76 1HD LYS 76 12.373 11.786 -7.553 582 1HE LYS 76 2HE LYS 76 14.085 13.909 -8.819 583 2HE LYS 76 1HE LYS 76 12.327 13.770 -8.795 584 1HZ LYS 76 1HZ LYS 76 14.147 14.723 -6.698 585 2HZ LYS 76 2HZ LYS 76 12.680 13.996 -6.243 586 3HZ LYS 76 3HZ LYS 76 12.676 15.381 -7.228 587 H THR 77 H THR 77 15.971 10.980 -3.714 588 HA THR 77 HA THR 77 14.199 12.563 -2.356 589 HB THR 77 HB THR 77 16.393 10.892 -1.105 590 HG1 THR 77 1HG THR 77 15.279 9.517 -2.317 591 1HG2 THR 77 1HG2 THR 77 14.597 10.660 0.698 592 2HG2 THR 77 2HG2 THR 77 13.785 12.019 -0.078 593 3HG2 THR 77 3HG2 THR 77 15.399 12.227 0.601 594 H LYS 78 H LYS 78 14.314 14.623 -1.758 595 HA LYS 78 HA LYS 78 16.839 15.979 -1.435 596 1HB LYS 78 2HB LYS 78 14.794 17.055 -2.405 597 2HB LYS 78 1HB LYS 78 14.061 16.996 -0.802 598 1HG LYS 78 2HG LYS 78 15.956 18.322 0.096 599 2HG LYS 78 1HG LYS 78 16.639 18.420 -1.527 600 1HD LYS 78 2HD LYS 78 14.500 19.496 -2.291 601 2HD LYS 78 1HD LYS 78 13.976 19.537 -0.608 602 1HE LYS 78 2HE LYS 78 15.854 20.946 0.003 603 2HE LYS 78 1HE LYS 78 16.544 20.795 -1.613 604 1HZ LYS 78 1HZ LYS 78 14.320 22.419 -0.688 605 2HZ LYS 78 2HZ LYS 78 14.117 21.683 -2.206 606 3HZ LYS 78 3HZ LYS 78 15.439 22.714 -1.928 607 H LEU 79 H LEU 79 17.987 16.095 0.376 608 HA LEU 79 HA LEU 79 16.607 15.612 2.950 609 1HB LEU 79 2HB LEU 79 18.151 13.797 2.398 610 2HB LEU 79 1HB LEU 79 19.458 14.959 2.165 611 HG LEU 79 HG LEU 79 19.284 15.657 4.514 612 1HD1 LEU 79 1HD1 LEU 79 16.921 13.811 4.416 613 2HD1 LEU 79 2HD1 LEU 79 17.065 15.400 5.167 614 3HD1 LEU 79 3HD1 LEU 79 17.802 13.993 5.934 615 1HD2 LEU 79 1HD2 LEU 79 19.342 12.633 4.445 616 2HD2 LEU 79 2HD2 LEU 79 20.273 13.716 5.479 617 3HD2 LEU 79 3HD2 LEU 79 20.643 13.606 3.758 618 H GLU 80 H GLU 80 16.742 17.159 4.456 619 HA GLU 80 HA GLU 80 18.951 19.040 4.507 620 1HB GLU 80 2HB GLU 80 17.438 20.045 2.830 621 2HB GLU 80 1HB GLU 80 16.130 20.023 4.013 622 1HG GLU 80 2HG GLU 80 17.154 22.238 3.989 623 2HG GLU 80 1HG GLU 80 17.515 21.443 5.521 624 H GLN 81 H GLN 81 19.139 20.114 6.478 625 HA GLN 81 HA GLN 81 17.400 19.059 8.610 626 1HB GLN 81 2HB GLN 81 19.853 18.654 8.788 627 2HB GLN 81 1HB GLN 81 20.103 20.399 8.851 628 1HG GLN 81 2HG GLN 81 18.722 20.547 10.873 629 2HG GLN 81 1HG GLN 81 18.405 18.816 10.801 630 1HE2 GLN 81 1HE2 GLN 81 19.573 19.631 13.132 631 2HE2 GLN 81 2HE2 GLN 81 21.222 19.228 13.166 632 H GLN 82 H GLN 82 16.559 20.446 10.211 633 HA GLN 82 HA GLN 82 16.283 23.248 9.316 634 1HB GLN 82 2HB GLN 82 14.469 22.071 11.370 635 2HB GLN 82 1HB GLN 82 14.121 23.249 10.104 636 1HG GLN 82 2HG GLN 82 14.531 20.267 9.761 637 2HG GLN 82 1HG GLN 82 13.045 21.175 9.490 638 1HE2 GLN 82 1HE2 GLN 82 15.214 19.624 7.699 639 2HE2 GLN 82 2HE2 GLN 82 15.352 20.665 6.365 640 H GLU 83 H GLU 83 15.830 24.785 11.206 641 HA GLU 83 HA GLU 83 18.104 24.852 12.886 642 1HB GLU 83 2HB GLU 83 16.782 26.849 12.148 643 2HB GLU 83 1HB GLU 83 15.509 26.360 13.266 644 1HG GLU 83 2HG GLU 83 17.149 26.453 15.134 645 2HG GLU 83 1HG GLU 83 18.374 27.024 14.003 646 H ASN 84 H ASN 84 14.768 23.821 13.419 647 HA ASN 84 HA ASN 84 14.809 23.532 16.198 648 1HB ASN 84 2HB ASN 84 13.059 21.744 15.782 649 2HB ASN 84 1HB ASN 84 12.725 23.317 15.059 650 1HD2 ASN 84 1HD2 ASN 84 14.760 20.514 14.021 651 2HD2 ASN 84 2HD2 ASN 84 14.067 20.408 12.475 652 H GLY 85 H GLY 85 16.307 21.638 13.708 653 1HA GLY 85 2HA GLY 85 18.152 20.197 14.172 654 2HA GLY 85 1HA GLY 85 17.485 19.907 15.776 655 H GLU 86 H GLU 86 15.896 19.749 12.602 656 HA GLU 86 HA GLU 86 15.520 16.846 12.998 657 1HB GLU 86 2HB GLU 86 13.429 18.847 12.110 658 2HB GLU 86 1HB GLU 86 13.222 17.097 12.083 659 1HG GLU 86 2HG GLU 86 13.630 17.023 14.525 660 2HG GLU 86 1HG GLU 86 13.787 18.778 14.541 661 H TRP 87 H TRP 87 15.257 15.624 11.067 662 HA TRP 87 HA TRP 87 16.431 16.950 8.706 663 1HB TRP 87 2HB TRP 87 16.393 14.071 9.618 664 2HB TRP 87 1HB TRP 87 16.879 14.545 7.990 665 HD1 TRP 87 HD TRP 87 18.033 14.550 11.583 666 HE1 TRP 87 1HE TRP 87 20.460 15.409 11.704 667 HE3 TRP 87 3HE TRP 87 18.623 16.199 6.786 668 HZ2 TRP 87 2HZ TRP 87 22.396 16.635 9.992 669 HZ3 TRP 87 3HZ TRP 87 20.767 17.208 6.059 670 HH2 TRP 87 HH TRP 87 22.652 17.428 7.655 671 H VAL 88 H VAL 88 15.300 17.126 6.863 672 HA VAL 88 HA VAL 88 12.632 15.860 6.778 673 HB VAL 88 HB VAL 88 13.689 18.351 5.424 674 1HG1 VAL 88 1HG1 VAL 88 12.194 17.343 3.863 675 2HG1 VAL 88 2HG1 VAL 88 11.231 18.545 4.723 676 3HG1 VAL 88 3HG1 VAL 88 11.087 16.837 5.139 677 1HG2 VAL 88 1HG2 VAL 88 13.062 18.426 7.887 678 2HG2 VAL 88 2HG2 VAL 88 11.420 18.002 7.403 679 3HG2 VAL 88 3HG2 VAL 88 12.139 19.515 6.852 680 H ALA 89 H ALA 89 12.231 14.364 5.277 681 HA ALA 89 HA ALA 89 13.931 14.264 2.869 682 1HB ALA 89 1HB ALA 89 13.870 11.737 3.100 683 2HB ALA 89 2HB ALA 89 13.297 11.987 4.749 684 3HB ALA 89 3HB ALA 89 14.885 12.583 4.268 685 H SER 90 H SER 90 12.428 14.858 1.390 686 HA SER 90 HA SER 90 9.905 13.312 1.334 687 1HB SER 90 2HB SER 90 8.773 15.216 0.463 688 2HB SER 90 1HB SER 90 9.719 15.801 1.829 689 HG SER 90 HG SER 90 10.130 17.171 0.151 690 H VAL 91 H VAL 91 9.226 12.482 -0.618 691 HA VAL 91 HA VAL 91 10.550 13.120 -3.097 692 HB VAL 91 HB VAL 91 12.162 11.558 -1.920 693 1HG1 VAL 91 1HG1 VAL 91 10.241 10.182 -0.938 694 2HG1 VAL 91 2HG1 VAL 91 11.571 9.262 -1.639 695 3HG1 VAL 91 3HG1 VAL 91 10.067 9.465 -2.539 696 1HG2 VAL 91 1HG2 VAL 91 10.867 10.622 -4.502 697 2HG2 VAL 91 2HG2 VAL 91 12.468 10.142 -3.940 698 3HG2 VAL 91 3HG2 VAL 91 12.150 11.823 -4.365 699 H VAL 92 H VAL 92 9.349 12.493 -4.851 700 HA VAL 92 HA VAL 92 6.787 11.166 -4.239 701 HB VAL 92 HB VAL 92 7.544 12.836 -6.647 702 1HG1 VAL 92 1HG1 VAL 92 4.905 11.741 -5.630 703 2HG1 VAL 92 2HG1 VAL 92 5.736 11.267 -7.111 704 3HG1 VAL 92 3HG1 VAL 92 5.064 12.891 -6.958 705 1HG2 VAL 92 1HG2 VAL 92 6.063 14.541 -5.536 706 2HG2 VAL 92 2HG2 VAL 92 7.558 14.227 -4.655 707 3HG2 VAL 92 3HG2 VAL 92 6.042 13.517 -4.100 708 H VAL 93 H VAL 93 6.272 9.255 -5.130 709 HA VAL 93 HA VAL 93 8.159 8.118 -7.107 710 HB VAL 93 HB VAL 93 6.419 6.588 -5.162 711 1HG1 VAL 93 1HG1 VAL 93 7.144 5.408 -7.233 712 2HG1 VAL 93 2HG1 VAL 93 7.868 4.717 -5.781 713 3HG1 VAL 93 3HG1 VAL 93 8.821 5.771 -6.826 714 1HG2 VAL 93 1HG2 VAL 93 8.577 6.217 -3.933 715 2HG2 VAL 93 2HG2 VAL 93 8.034 7.894 -3.889 716 3HG2 VAL 93 3HG2 VAL 93 9.334 7.416 -4.982 717 H TYR 94 H TYR 94 7.365 7.519 -9.031 718 HA TYR 94 HA TYR 94 4.499 7.834 -9.511 719 1HB TYR 94 2HB TYR 94 6.764 7.284 -11.445 720 2HB TYR 94 1HB TYR 94 5.101 7.679 -11.882 721 HD1 TYR 94 1HD TYR 94 4.164 9.869 -10.611 722 HD2 TYR 94 2HD TYR 94 8.297 9.033 -11.433 723 HE1 TYR 94 1HE TYR 94 4.693 12.284 -10.412 724 HE2 TYR 94 2HE TYR 94 8.824 11.449 -11.242 725 HH TYR 94 HH TYR 94 7.444 13.522 -9.830 726 HA PRO 95 HA PRO 95 3.433 3.596 -9.545 727 1HB PRO 95 2HB PRO 95 2.047 3.987 -12.135 728 2HB PRO 95 1HB PRO 95 1.388 3.493 -10.566 729 1HG PRO 95 2HG PRO 95 0.911 5.908 -11.563 730 2HG PRO 95 1HG PRO 95 1.159 5.655 -9.827 731 1HD PRO 95 2HD PRO 95 3.068 6.779 -11.860 732 2HD PRO 95 1HD PRO 95 2.776 7.295 -10.183 733 H CYS 96 H CYS 96 3.910 1.575 -10.506 734 HA CYS 96 HA CYS 96 5.134 0.082 -11.749 735 1HB CYS 96 2HB CYS 96 5.135 2.124 -13.967 736 2HB CYS 96 1HB CYS 96 5.182 0.367 -14.098 737 HG CYS 96 HG CYS 96 2.708 0.269 -13.857 738 H GLU 97 H GLU 97 6.371 2.456 -10.260 739 HA GLU 97 HA GLU 97 9.094 1.996 -11.254 740 1HB GLU 97 2HB GLU 97 7.897 4.735 -10.772 741 2HB GLU 97 1HB GLU 97 9.612 4.420 -11.040 742 1HG GLU 97 2HG GLU 97 9.028 3.363 -13.230 743 2HG GLU 97 1HG GLU 97 7.349 3.834 -12.969 744 H THR 98 H THR 98 10.684 2.138 -9.672 745 HA THR 98 HA THR 98 9.727 2.611 -6.912 746 HB THR 98 HB THR 98 11.878 0.604 -7.493 747 HG1 THR 98 1HG THR 98 9.241 0.452 -8.189 748 1HG2 THR 98 1HG2 THR 98 9.786 1.006 -5.342 749 2HG2 THR 98 2HG2 THR 98 11.532 1.196 -5.183 750 3HG2 THR 98 3HG2 THR 98 10.839 -0.406 -5.427 751 H GLU 99 H GLU 99 10.849 4.119 -5.862 752 HA GLU 99 HA GLU 99 13.563 4.778 -6.840 753 1HB GLU 99 2HB GLU 99 11.503 6.635 -5.625 754 2HB GLU 99 1HB GLU 99 13.127 7.094 -6.138 755 1HG GLU 99 2HG GLU 99 12.576 6.350 -8.449 756 2HG GLU 99 1HG GLU 99 10.933 5.993 -7.918 757 H MET 100 H MET 100 15.078 5.523 -5.252 758 HA MET 100 HA MET 100 14.834 4.112 -2.737 759 1HB MET 100 2HB MET 100 17.028 5.907 -3.804 760 2HB MET 100 1HB MET 100 17.134 4.923 -2.344 761 1HG MET 100 2HG MET 100 16.342 3.027 -4.097 762 2HG MET 100 1HG MET 100 17.218 4.093 -5.196 763 1HE MET 100 1HE MET 100 17.157 2.729 -1.737 764 2HE MET 100 2HE MET 100 18.754 2.066 -1.406 765 3HE MET 100 3HE MET 100 17.671 1.223 -2.509 766 H PHE 101 H PHE 101 15.065 5.095 -0.658 767 HA PHE 101 HA PHE 101 14.006 7.856 -0.580 768 1HB PHE 101 2HB PHE 101 12.457 6.154 0.315 769 2HB PHE 101 1HB PHE 101 13.692 5.649 1.469 770 HD1 PHE 101 1HD PHE 101 12.787 6.290 3.562 771 HD2 PHE 101 2HD PHE 101 12.836 9.093 0.308 772 HE1 PHE 101 1HE PHE 101 12.042 8.088 5.100 773 HE2 PHE 101 2HE PHE 101 12.096 10.892 1.846 774 HZ PHE 101 HZ PHE 101 11.698 10.389 4.241 775 H ILE 102 H ILE 102 15.108 6.192 2.256 776 HA ILE 102 HA ILE 102 17.599 7.773 2.271 777 HB ILE 102 HB ILE 102 17.225 8.410 4.584 778 1HG1 ILE 102 2HG1 ILE 102 14.779 7.917 5.423 779 2HG1 ILE 102 1HG1 ILE 102 14.853 6.589 4.265 780 1HG2 ILE 102 1HG2 ILE 102 15.183 9.839 4.268 781 2HG2 ILE 102 2HG2 ILE 102 14.855 8.960 2.775 782 3HG2 ILE 102 3HG2 ILE 102 16.319 9.932 2.921 783 1HD1 ILE 102 1HD1 ILE 102 15.847 6.544 6.867 784 2HD1 ILE 102 2HD1 ILE 102 17.283 6.775 5.869 785 3HD1 ILE 102 3HD1 ILE 102 16.229 5.388 5.592 786 H GLU 103 H GLU 103 19.153 6.995 3.928 787 HA GLU 103 HA GLU 103 18.773 4.198 4.734 788 1HB GLU 103 2HB GLU 103 19.883 4.039 2.574 789 2HB GLU 103 1HB GLU 103 21.110 5.197 3.090 790 1HG GLU 103 2HG GLU 103 21.915 3.679 4.796 791 2HG GLU 103 1HG GLU 103 20.595 2.554 4.478 792 H GLY 104 H GLY 104 20.258 3.503 6.380 793 1HA GLY 104 2HA GLY 104 22.255 4.203 7.740 794 2HA GLY 104 1HA GLY 104 21.449 5.761 7.880 795 H ARG 105 H ARG 105 21.475 5.533 10.180 796 HA ARG 105 HA ARG 105 19.796 3.402 11.308 797 1HB ARG 105 2HB ARG 105 22.032 3.913 12.317 798 2HB ARG 105 1HB ARG 105 21.417 5.507 12.757 799 1HG ARG 105 2HG ARG 105 19.599 4.432 14.057 800 2HG ARG 105 1HG ARG 105 20.260 2.848 13.649 801 1HD ARG 105 2HD ARG 105 22.415 3.528 14.724 802 2HD ARG 105 1HD ARG 105 21.648 5.030 15.229 803 HE ARG 105 HE ARG 105 20.525 3.843 16.885 804 1HH1 ARG 105 1HH2 ARG 105 21.893 1.717 14.521 805 2HH1 ARG 105 2HH2 ARG 105 21.550 0.275 15.418 806 1HH2 ARG 105 1HH1 ARG 105 20.074 1.957 18.067 807 2HH2 ARG 105 2HH1 ARG 105 20.520 0.411 17.425 808 H VAL 106 H VAL 106 17.822 3.766 12.171 809 HA VAL 106 HA VAL 106 16.870 6.568 12.240 810 HB VAL 106 HB VAL 106 15.100 4.185 11.721 811 1HG1 VAL 106 1HG1 VAL 106 14.754 7.043 10.822 812 2HG1 VAL 106 2HG1 VAL 106 14.275 6.537 12.442 813 3HG1 VAL 106 3HG1 VAL 106 13.522 5.798 11.029 814 1HG2 VAL 106 1HG2 VAL 106 16.735 4.133 9.944 815 2HG2 VAL 106 2HG2 VAL 106 16.656 5.884 9.750 816 3HG2 VAL 106 3HG2 VAL 106 15.278 4.883 9.293 817 H ASN 107 H ASN 107 15.863 7.250 14.049 818 HA ASN 107 HA ASN 107 14.938 5.313 16.037 819 1HB ASN 107 2HB ASN 107 16.189 6.740 17.804 820 2HB ASN 107 1HB ASN 107 17.108 5.544 16.891 821 1HD2 ASN 107 1HD2 ASN 107 17.670 8.443 18.081 822 2HD2 ASN 107 2HD2 ASN 107 18.517 9.185 16.811 823 H GLY 108 H GLY 108 12.941 5.950 16.518 824 1HA GLY 108 2HA GLY 108 11.109 7.290 16.913 825 2HA GLY 108 1HA GLY 108 12.257 8.404 17.654 826 H PHE 109 H PHE 109 10.116 7.928 15.081 827 HA PHE 109 HA PHE 109 10.803 10.513 13.947 828 1HB PHE 109 2HB PHE 109 11.015 9.643 11.646 829 2HB PHE 109 1HB PHE 109 12.291 9.023 12.694 830 HD1 PHE 109 1HD PHE 109 9.294 8.190 10.764 831 HD2 PHE 109 2HD PHE 109 12.211 6.696 13.541 832 HE1 PHE 109 1HE PHE 109 8.564 5.869 10.282 833 HE2 PHE 109 2HE PHE 109 11.484 4.375 13.054 834 HZ PHE 109 HZ PHE 109 9.659 3.963 11.428 835 H LYS 110 H LYS 110 9.201 11.231 12.355 836 HA LYS 110 HA LYS 110 6.585 9.909 12.764 837 1HB LYS 110 2HB LYS 110 7.172 12.836 12.245 838 2HB LYS 110 1HB LYS 110 5.570 12.128 12.460 839 1HG LYS 110 2HG LYS 110 6.392 11.279 14.722 840 2HG LYS 110 1HG LYS 110 7.797 12.322 14.500 841 1HD LYS 110 2HD LYS 110 4.910 13.252 14.459 842 2HD LYS 110 1HD LYS 110 6.025 13.453 15.812 843 1HE LYS 110 2HE LYS 110 6.214 15.509 14.705 844 2HE LYS 110 1HE LYS 110 7.570 14.598 14.040 845 1HZ LYS 110 1HZ LYS 110 6.678 14.675 12.027 846 2HZ LYS 110 2HZ LYS 110 5.525 15.769 12.628 847 3HZ LYS 110 3HZ LYS 110 5.181 14.105 12.582 848 H SER 111 H SER 111 5.477 9.273 11.007 849 HA SER 111 HA SER 111 6.571 10.023 8.363 850 1HB SER 111 2HB SER 111 5.103 7.488 9.114 851 2HB SER 111 1HB SER 111 5.827 7.858 7.551 852 HG SER 111 HG SER 111 6.968 6.796 9.706 853 H LYS 112 H LYS 112 5.246 10.911 6.900 854 HA LYS 112 HA LYS 112 2.333 10.768 7.337 855 1HB LYS 112 2HB LYS 112 3.229 12.950 8.187 856 2HB LYS 112 1HB LYS 112 3.804 13.295 6.555 857 1HG LYS 112 2HG LYS 112 1.583 13.301 5.671 858 2HG LYS 112 1HG LYS 112 0.920 12.605 7.149 859 1HD LYS 112 2HD LYS 112 0.482 15.042 7.014 860 2HD LYS 112 1HD LYS 112 1.505 14.640 8.394 861 1HE LYS 112 2HE LYS 112 2.218 16.637 6.900 862 2HE LYS 112 1HE LYS 112 3.452 15.458 7.346 863 1HZ LYS 112 1HZ LYS 112 3.417 14.501 5.260 864 2HZ LYS 112 2HZ LYS 112 3.232 16.151 4.899 865 3HZ LYS 112 3HZ LYS 112 1.884 15.116 4.874 866 H MET 113 H MET 113 1.608 9.685 5.608 867 HA MET 113 HA MET 113 2.753 10.364 2.965 868 1HB MET 113 2HB MET 113 1.638 7.739 3.972 869 2HB MET 113 1HB MET 113 2.067 8.054 2.289 870 1HG MET 113 2HG MET 113 4.384 8.609 3.017 871 2HG MET 113 1HG MET 113 3.940 8.185 4.671 872 1HE MET 113 1HE MET 113 2.088 5.454 4.362 873 2HE MET 113 2HE MET 113 3.203 6.204 5.501 874 3HE MET 113 3HE MET 113 3.529 4.580 4.902 875 H ASP 114 H ASP 114 1.266 10.094 1.138 876 HA ASP 114 HA ASP 114 -1.584 10.141 1.692 877 1HB ASP 114 2HB ASP 114 -0.700 12.512 2.053 878 2HB ASP 114 1HB ASP 114 -0.367 12.538 0.322 879 H ALA 115 H ALA 115 -2.788 10.578 -0.469 880 HA ALA 115 HA ALA 115 -1.254 9.365 -2.689 881 1HB ALA 115 1HB ALA 115 -4.152 8.815 -2.013 882 2HB ALA 115 2HB ALA 115 -2.812 7.733 -1.635 883 3HB ALA 115 3HB ALA 115 -3.217 8.081 -3.316 884 H LEU 116 H LEU 116 -0.906 11.415 -3.617 885 HA LEU 116 HA LEU 116 -3.218 13.046 -4.327 886 1HB LEU 116 2HB LEU 116 -0.404 13.558 -5.250 887 2HB LEU 116 1HB LEU 116 -1.691 14.718 -4.912 888 HG LEU 116 HG LEU 116 -0.178 13.054 -2.878 889 1HD1 LEU 116 1HD1 LEU 116 0.624 15.209 -2.074 890 2HD1 LEU 116 2HD1 LEU 116 -0.376 16.058 -3.254 891 3HD1 LEU 116 3HD1 LEU 116 0.984 15.074 -3.796 892 1HD2 LEU 116 1HD2 LEU 116 -2.597 14.857 -2.636 893 2HD2 LEU 116 2HD2 LEU 116 -1.566 14.473 -1.257 894 3HD2 LEU 116 3HD2 LEU 116 -2.431 13.185 -2.096 895 HA PRO 117 HA PRO 117 -3.702 11.367 -8.362 896 1HB PRO 117 2HB PRO 117 -4.668 13.545 -9.701 897 2HB PRO 117 1HB PRO 117 -5.628 12.620 -8.531 898 1HG PRO 117 2HG PRO 117 -4.207 15.212 -8.185 899 2HG PRO 117 1HG PRO 117 -5.787 14.699 -7.572 900 1HD PRO 117 2HD PRO 117 -3.536 14.742 -6.018 901 2HD PRO 117 1HD PRO 117 -4.877 13.607 -5.747 902 H LEU 118 H LEU 118 -2.491 11.074 -10.188 903 HA LEU 118 HA LEU 118 0.063 12.024 -10.477 904 1HB LEU 118 2HB LEU 118 -1.776 11.348 -12.785 905 2HB LEU 118 1HB LEU 118 -0.014 11.271 -12.779 906 HG LEU 118 HG LEU 118 -1.866 9.609 -11.046 907 1HD1 LEU 118 1HD1 LEU 118 -1.326 7.779 -12.445 908 2HD1 LEU 118 2HD1 LEU 118 0.031 8.632 -13.180 909 3HD1 LEU 118 3HD1 LEU 118 -1.624 9.102 -13.572 910 1HD2 LEU 118 1HD2 LEU 118 1.118 9.970 -11.166 911 2HD2 LEU 118 2HD2 LEU 118 0.446 8.408 -10.696 912 3HD2 LEU 118 3HD2 LEU 118 0.072 9.850 -9.751 913 H SER 119 H SER 119 0.414 14.189 -10.211 914 HA SER 119 HA SER 119 -1.140 16.247 -11.384 915 1HB SER 119 2HB SER 119 1.735 16.323 -10.439 916 2HB SER 119 1HB SER 119 0.716 17.726 -10.753 917 HG SER 119 HG SER 119 0.930 16.556 -8.504 918 H GLU 120 H GLU 120 -0.141 17.889 -12.917 919 HA GLU 120 HA GLU 120 0.196 16.814 -15.443 920 1HB GLU 120 2HB GLU 120 0.976 19.010 -16.135 921 2HB GLU 120 1HB GLU 120 -0.328 19.199 -14.964 922 1HG GLU 120 2HG GLU 120 1.427 19.420 -13.166 923 2HG GLU 120 1HG GLU 120 2.644 19.451 -14.441 924 H GLU 121 H GLU 121 2.553 17.310 -12.921 925 HA GLU 121 HA GLU 121 4.917 17.191 -14.439 926 1HB GLU 121 2HB GLU 121 4.363 16.258 -11.613 927 2HB GLU 121 1HB GLU 121 5.973 16.413 -12.318 928 1HG GLU 121 2HG GLU 121 5.528 18.816 -12.756 929 2HG GLU 121 1HG GLU 121 3.953 18.649 -11.982 930 H TYR 122 H TYR 122 2.790 14.669 -13.204 931 HA TYR 122 HA TYR 122 4.442 12.442 -13.645 932 1HB TYR 122 2HB TYR 122 2.437 12.128 -12.389 933 2HB TYR 122 1HB TYR 122 1.438 12.761 -13.699 934 HD1 TYR 122 1HD TYR 122 3.872 10.020 -12.930 935 HD2 TYR 122 2HD TYR 122 0.501 11.292 -15.269 936 HE1 TYR 122 1HE TYR 122 3.662 7.734 -13.871 937 HE2 TYR 122 2HE TYR 122 0.294 9.008 -16.213 938 HH TYR 122 HH TYR 122 2.698 6.513 -15.532 939 H ARG 123 H ARG 123 2.209 14.151 -15.803 940 HA ARG 123 HA ARG 123 2.342 12.410 -17.998 941 1HB ARG 123 2HB ARG 123 2.014 15.422 -17.979 942 2HB ARG 123 1HB ARG 123 1.649 14.363 -19.341 943 1HG ARG 123 2HG ARG 123 0.041 13.124 -17.849 944 2HG ARG 123 1HG ARG 123 0.310 14.363 -16.624 945 1HD ARG 123 2HD ARG 123 -1.669 14.983 -17.854 946 2HD ARG 123 1HD ARG 123 -0.380 16.086 -18.329 947 HE ARG 123 HE ARG 123 -0.475 13.839 -20.081 948 1HH1 ARG 123 1HH2 ARG 123 -2.083 16.783 -19.233 949 2HH1 ARG 123 2HH2 ARG 123 -2.737 17.043 -20.815 950 1HH2 ARG 123 1HH1 ARG 123 -1.328 14.173 -22.158 951 2HH2 ARG 123 2HH1 ARG 123 -2.310 15.565 -22.471 952 H GLN 124 H GLN 124 4.420 15.115 -17.049 953 HA GLN 124 HA GLN 124 6.071 15.067 -19.364 954 1HB GLN 124 2HB GLN 124 6.545 16.107 -16.564 955 2HB GLN 124 1HB GLN 124 7.676 16.338 -17.898 956 1HG GLN 124 2HG GLN 124 4.767 17.168 -18.020 957 2HG GLN 124 1HG GLN 124 6.068 18.258 -17.541 958 1HE2 GLN 124 1HE2 GLN 124 7.523 19.021 -19.196 959 2HE2 GLN 124 2HE2 GLN 124 7.248 18.726 -20.845 960 H HIS 125 H HIS 125 6.188 13.418 -16.249 961 HA HIS 125 HA HIS 125 8.782 12.363 -16.401 962 1HB HIS 125 2HB HIS 125 7.790 12.078 -14.319 963 2HB HIS 125 1HB HIS 125 6.261 11.530 -15.009 964 HD1 HIS 125 1HD HIS 125 9.858 10.336 -14.632 965 HD2 HIS 125 2HD HIS 125 6.032 8.770 -15.167 966 HE1 HIS 125 1HE HIS 125 10.078 7.820 -14.425 967 HE2 HIS 125 2HE HIS 125 7.752 6.852 -14.743 968 H GLN 126 H GLN 126 5.914 11.578 -18.143 969 HA GLN 126 HA GLN 126 6.677 8.908 -18.889 970 1HB GLN 126 2HB GLN 126 4.670 10.802 -20.138 971 2HB GLN 126 1HB GLN 126 4.816 9.081 -20.495 972 1HG GLN 126 2HG GLN 126 4.361 8.561 -18.116 973 2HG GLN 126 1HG GLN 126 4.171 10.282 -17.787 974 1HE2 GLN 126 1HE2 GLN 126 2.221 7.791 -17.919 975 2HE2 GLN 126 2HE2 GLN 126 0.909 8.408 -18.801 976 H ALA 127 H ALA 127 7.308 12.116 -20.072 977 HA ALA 127 HA ALA 127 8.172 11.248 -22.696 978 1HB ALA 127 1HB ALA 127 8.811 13.592 -23.013 979 2HB ALA 127 2HB ALA 127 8.531 13.913 -21.301 980 3HB ALA 127 3HB ALA 127 7.179 13.484 -22.350 981 H GLU 128 H GLU 128 9.814 12.750 -19.901 982 HA GLU 128 HA GLU 128 12.416 12.651 -20.765 983 1HB GLU 128 2HB GLU 128 13.088 12.650 -18.449 984 2HB GLU 128 1HB GLU 128 11.610 13.603 -18.587 985 1HG GLU 128 2HG GLU 128 10.314 11.531 -17.960 986 2HG GLU 128 1HG GLU 128 11.854 10.740 -17.627 987 H LYS 129 H LYS 129 10.489 10.018 -19.405 988 HA LYS 129 HA LYS 129 12.725 8.158 -19.545 989 1HB LYS 129 2HB LYS 129 11.266 6.579 -18.509 990 2HB LYS 129 1HB LYS 129 10.959 8.125 -17.720 991 1HG LYS 129 2HG LYS 129 9.064 8.470 -19.373 992 2HG LYS 129 1HG LYS 129 9.292 6.792 -19.867 993 1HD LYS 129 2HD LYS 129 8.614 7.767 -17.077 994 2HD LYS 129 1HD LYS 129 7.539 6.896 -18.172 995 1HE LYS 129 2HE LYS 129 8.336 5.171 -16.808 996 2HE LYS 129 1HE LYS 129 9.443 5.094 -18.179 997 1HZ LYS 129 1HZ LYS 129 11.142 5.631 -16.883 998 2HZ LYS 129 2HZ LYS 129 10.119 5.433 -15.541 999 3HZ LYS 129 3HZ LYS 129 10.328 6.970 -16.234 1000 H ASP 130 H ASP 130 10.498 9.399 -21.696 1001 HA ASP 130 HA ASP 130 9.769 8.778 -23.785 1002 1HB ASP 130 2HB ASP 130 12.217 7.011 -23.578 1003 2HB ASP 130 1HB ASP 130 11.313 7.301 -25.064 1004 H LYS 131 H LYS 131 8.376 7.566 -21.745 1005 HA LYS 131 HA LYS 131 7.093 5.729 -21.183 1006 1HB LYS 131 2HB LYS 131 6.129 6.495 -23.367 1007 2HB LYS 131 1HB LYS 131 7.140 5.298 -24.176 1008 1HG LYS 131 2HG LYS 131 6.087 3.510 -22.818 1009 2HG LYS 131 1HG LYS 131 5.044 4.716 -22.063 1010 1HD LYS 131 2HD LYS 131 4.175 5.319 -24.329 1011 2HD LYS 131 1HD LYS 131 5.133 4.002 -25.008 1012 1HE LYS 131 2HE LYS 131 3.892 2.352 -23.803 1013 2HE LYS 131 1HE LYS 131 3.123 3.573 -22.789 1014 1HZ LYS 131 1HZ LYS 131 2.742 3.944 -25.629 1015 2HZ LYS 131 2HZ LYS 131 1.621 4.049 -24.356 1016 3HZ LYS 131 3HZ LYS 131 2.031 2.535 -25.007 Start of MODEL 20 1 H MET 1 1H MET 1 1.147 -18.756 27.208 2 HA MET 1 HA MET 1 3.045 -17.616 25.379 3 1HB MET 1 2HB MET 1 0.228 -18.699 25.071 4 2HB MET 1 1HB MET 1 1.369 -18.405 23.759 5 1HG MET 1 2HG MET 1 1.872 -20.299 26.073 6 2HG MET 1 1HG MET 1 1.316 -20.800 24.475 7 1HE MET 1 1HE MET 1 3.584 -22.080 25.722 8 2HE MET 1 2HE MET 1 4.346 -20.754 26.596 9 3HE MET 1 3HE MET 1 5.230 -21.578 25.313 10 H GLY 2 H GLY 2 0.094 -16.612 26.970 11 1HA GLY 2 2HA GLY 2 -0.795 -14.471 27.144 12 2HA GLY 2 1HA GLY 2 0.441 -13.900 26.027 13 H CYS 3 H CYS 3 -1.548 -16.649 25.234 14 HA CYS 3 HA CYS 3 -3.035 -17.009 23.520 15 1HB CYS 3 2HB CYS 3 -3.898 -14.217 24.310 16 2HB CYS 3 1HB CYS 3 -4.820 -15.303 23.271 17 HG CYS 3 HG CYS 3 -4.130 -16.099 26.218 18 H GLY 4 H GLY 4 -0.487 -15.080 23.223 19 1HA GLY 4 2HA GLY 4 -0.595 -15.001 20.367 20 2HA GLY 4 1HA GLY 4 -0.812 -13.396 21.059 21 H ALA 5 H ALA 5 1.443 -15.480 19.867 22 HA ALA 5 HA ALA 5 3.629 -15.129 21.649 23 1HB ALA 5 1HB ALA 5 3.523 -15.780 18.697 24 2HB ALA 5 2HB ALA 5 3.700 -16.916 20.034 25 3HB ALA 5 3HB ALA 5 5.004 -15.793 19.652 26 H SER 6 H SER 6 5.295 -13.650 21.651 27 HA SER 6 HA SER 6 4.737 -11.002 20.919 28 1HB SER 6 2HB SER 6 6.396 -11.728 22.653 29 2HB SER 6 1HB SER 6 7.479 -12.205 21.349 30 HG SER 6 HG SER 6 7.063 -9.781 22.387 31 H SER 7 H SER 7 6.418 -13.577 19.214 32 HA SER 7 HA SER 7 6.997 -11.738 16.985 33 1HB SER 7 2HB SER 7 8.863 -13.132 17.879 34 2HB SER 7 1HB SER 7 7.965 -14.574 17.415 35 HG SER 7 HG SER 7 9.576 -13.174 15.920 36 H GLU 8 H GLU 8 6.202 -12.099 14.935 37 HA GLU 8 HA GLU 8 4.470 -14.419 14.478 38 1HB GLU 8 2HB GLU 8 2.612 -13.050 13.711 39 2HB GLU 8 1HB GLU 8 3.007 -12.620 15.375 40 1HG GLU 8 2HG GLU 8 4.436 -10.750 14.465 41 2HG GLU 8 1HG GLU 8 3.793 -11.116 12.866 42 H ASN 9 H ASN 9 3.921 -14.703 12.209 43 HA ASN 9 HA ASN 9 6.140 -14.007 10.496 44 1HB ASN 9 2HB ASN 9 5.118 -15.468 8.884 45 2HB ASN 9 1HB ASN 9 4.975 -16.237 10.464 46 1HD2 ASN 9 1HD2 ASN 9 3.173 -16.990 8.440 47 2HD2 ASN 9 2HD2 ASN 9 1.629 -16.391 8.810 48 H SER 10 H SER 10 5.609 -13.277 8.193 49 HA SER 10 HA SER 10 3.373 -11.401 8.030 50 1HB SER 10 2HB SER 10 4.755 -9.496 7.506 51 2HB SER 10 1HB SER 10 5.297 -10.151 9.048 52 HG SER 10 HG SER 10 7.144 -10.622 8.164 53 H SER 11 H SER 11 3.120 -10.516 5.840 54 HA SER 11 HA SER 11 4.586 -11.855 3.704 55 1HB SER 11 2HB SER 11 2.608 -13.332 4.454 56 2HB SER 11 1HB SER 11 1.584 -12.094 3.735 57 HG SER 11 HG SER 11 3.757 -13.017 2.250 58 H VAL 12 H VAL 12 3.642 -11.119 1.516 59 HA VAL 12 HA VAL 12 2.433 -8.452 1.641 60 HB VAL 12 HB VAL 12 4.936 -8.878 0.021 61 1HG1 VAL 12 1HG1 VAL 12 3.751 -6.347 1.177 62 2HG1 VAL 12 2HG1 VAL 12 3.266 -6.980 -0.395 63 3HG1 VAL 12 3HG1 VAL 12 4.939 -6.496 -0.118 64 1HG2 VAL 12 1HG2 VAL 12 6.140 -7.703 1.865 65 2HG2 VAL 12 2HG2 VAL 12 5.544 -9.288 2.358 66 3HG2 VAL 12 3HG2 VAL 12 4.690 -7.829 2.859 67 H THR 13 H THR 13 1.140 -8.016 -0.076 68 HA THR 13 HA THR 13 1.261 -9.847 -2.391 69 HB THR 13 HB THR 13 -1.341 -8.859 -1.234 70 HG1 THR 13 1HG THR 13 -1.460 -10.880 -0.212 71 1HG2 THR 13 1HG2 THR 13 -1.230 -9.700 -3.591 72 2HG2 THR 13 2HG2 THR 13 -2.268 -10.676 -2.551 73 3HG2 THR 13 3HG2 THR 13 -0.653 -11.246 -2.968 74 H TYR 14 H TYR 14 1.261 -8.841 -4.302 75 HA TYR 14 HA TYR 14 0.609 -5.960 -4.350 76 1HB TYR 14 2HB TYR 14 2.345 -7.554 -6.252 77 2HB TYR 14 1HB TYR 14 2.082 -5.810 -6.293 78 HD1 TYR 14 1HD TYR 14 2.448 -4.658 -3.855 79 HD2 TYR 14 2HD TYR 14 4.314 -8.268 -5.246 80 HE1 TYR 14 1HE TYR 14 4.282 -4.341 -2.217 81 HE2 TYR 14 2HE TYR 14 6.148 -7.951 -3.608 82 HH TYR 14 HH TYR 14 6.061 -5.311 -1.240 83 H VAL 15 H VAL 15 -0.175 -5.205 -6.556 84 HA VAL 15 HA VAL 15 -1.930 -7.205 -7.825 85 HB VAL 15 HB VAL 15 -3.600 -6.223 -6.611 86 1HG1 VAL 15 1HG1 VAL 15 -3.488 -3.854 -5.814 87 2HG1 VAL 15 2HG1 VAL 15 -1.916 -3.699 -6.599 88 3HG1 VAL 15 3HG1 VAL 15 -2.126 -4.827 -5.260 89 1HG2 VAL 15 1HG2 VAL 15 -3.810 -5.584 -9.093 90 2HG2 VAL 15 2HG2 VAL 15 -3.272 -3.975 -8.608 91 3HG2 VAL 15 3HG2 VAL 15 -4.770 -4.639 -7.954 92 H ASN 16 H ASN 16 -0.959 -3.772 -8.027 93 HA ASN 16 HA ASN 16 -1.347 -3.603 -10.838 94 1HB ASN 16 2HB ASN 16 0.286 -1.881 -8.961 95 2HB ASN 16 1HB ASN 16 -0.080 -1.472 -10.636 96 1HD2 ASN 16 1HD2 ASN 16 -1.060 -0.619 -7.663 97 2HD2 ASN 16 2HD2 ASN 16 -2.720 -0.384 -7.930 98 H GLY 17 H GLY 17 1.316 -4.617 -8.832 99 1HA GLY 17 2HA GLY 17 2.697 -6.061 -10.695 100 2HA GLY 17 1HA GLY 17 3.325 -4.427 -10.887 101 H ARG 18 H ARG 18 5.089 -6.320 -10.142 102 HA ARG 18 HA ARG 18 5.327 -6.343 -7.233 103 1HB ARG 18 2HB ARG 18 7.420 -7.399 -9.105 104 2HB ARG 18 1HB ARG 18 6.956 -7.983 -7.507 105 1HG ARG 18 2HG ARG 18 5.096 -8.095 -9.891 106 2HG ARG 18 1HG ARG 18 6.179 -9.420 -9.462 107 1HD ARG 18 2HD ARG 18 4.074 -8.217 -7.641 108 2HD ARG 18 1HD ARG 18 3.927 -9.750 -8.496 109 HE ARG 18 HE ARG 18 6.247 -9.500 -6.747 110 1HH1 ARG 18 1HH2 ARG 18 2.972 -10.524 -7.194 111 2HH1 ARG 18 2HH2 ARG 18 3.005 -11.666 -5.893 112 1HH2 ARG 18 1HH1 ARG 18 6.299 -10.997 -5.039 113 2HH2 ARG 18 2HH1 ARG 18 4.889 -11.934 -4.672 114 HA PRO 19 HA PRO 19 8.053 -2.881 -7.080 115 1HB PRO 19 2HB PRO 19 9.387 -3.440 -4.771 116 2HB PRO 19 1HB PRO 19 7.697 -2.904 -4.804 117 1HG PRO 19 2HG PRO 19 8.808 -5.643 -4.456 118 2HG PRO 19 1HG PRO 19 7.431 -4.871 -3.653 119 1HD PRO 19 2HD PRO 19 7.157 -6.664 -5.714 120 2HD PRO 19 1HD PRO 19 5.970 -5.389 -5.364 121 H THR 20 H THR 20 10.000 -2.367 -7.949 122 HA THR 20 HA THR 20 11.705 -4.372 -9.004 123 HB THR 20 HB THR 20 12.327 -1.440 -8.588 124 HG1 THR 20 1HG THR 20 10.441 -1.627 -9.749 125 1HG2 THR 20 1HG2 THR 20 13.813 -1.794 -10.531 126 2HG2 THR 20 2HG2 THR 20 13.380 -3.503 -10.543 127 3HG2 THR 20 3HG2 THR 20 14.268 -2.828 -9.178 128 H PHE 21 H PHE 21 11.748 -2.486 -6.050 129 HA PHE 21 HA PHE 21 14.333 -3.701 -5.304 130 1HB PHE 21 2HB PHE 21 14.165 -1.213 -5.217 131 2HB PHE 21 1HB PHE 21 12.892 -1.376 -4.007 132 HD1 PHE 21 1HD PHE 21 13.390 -1.959 -1.733 133 HD2 PHE 21 2HD PHE 21 16.475 -2.027 -4.720 134 HE1 PHE 21 1HE PHE 21 15.105 -2.193 0.043 135 HE2 PHE 21 2HE PHE 21 18.190 -2.262 -2.944 136 HZ PHE 21 HZ PHE 21 17.505 -2.345 -0.562 137 H VAL 22 H VAL 22 14.499 -5.014 -3.548 138 HA VAL 22 HA VAL 22 12.102 -5.409 -1.875 139 HB VAL 22 HB VAL 22 13.693 -7.823 -2.544 140 1HG1 VAL 22 1HG1 VAL 22 11.698 -7.767 -1.017 141 2HG1 VAL 22 2HG1 VAL 22 11.506 -8.867 -2.381 142 3HG1 VAL 22 3HG1 VAL 22 10.710 -7.293 -2.400 143 1HG2 VAL 22 1HG2 VAL 22 12.288 -8.125 -4.629 144 2HG2 VAL 22 2HG2 VAL 22 13.526 -6.876 -4.759 145 3HG2 VAL 22 3HG2 VAL 22 11.842 -6.424 -4.496 146 H GLY 23 H GLY 23 12.525 -5.579 0.253 147 1HA GLY 23 2HA GLY 23 15.366 -5.788 1.063 148 2HA GLY 23 1HA GLY 23 14.169 -4.821 1.920 149 H GLU 24 H GLU 24 13.399 -5.714 3.719 150 HA GLU 24 HA GLU 24 13.042 -8.637 3.826 151 1HB GLU 24 2HB GLU 24 15.207 -7.953 4.932 152 2HB GLU 24 1HB GLU 24 14.244 -7.038 6.093 153 1HG GLU 24 2HG GLU 24 14.665 -9.196 7.072 154 2HG GLU 24 1HG GLU 24 12.973 -9.171 6.577 155 H GLU 25 H GLU 25 12.611 -5.745 5.883 156 HA GLU 25 HA GLU 25 10.048 -6.762 6.816 157 1HB GLU 25 2HB GLU 25 11.694 -5.612 8.333 158 2HB GLU 25 1HB GLU 25 11.367 -4.117 7.456 159 1HG GLU 25 2HG GLU 25 9.933 -4.146 9.396 160 2HG GLU 25 1HG GLU 25 8.921 -4.438 7.983 161 H VAL 26 H VAL 26 8.128 -6.211 6.002 162 HA VAL 26 HA VAL 26 7.959 -3.799 4.301 163 HB VAL 26 HB VAL 26 6.447 -6.350 3.739 164 1HG1 VAL 26 1HG1 VAL 26 5.640 -4.139 2.830 165 2HG1 VAL 26 2HG1 VAL 26 6.063 -5.316 1.586 166 3HG1 VAL 26 3HG1 VAL 26 7.172 -3.999 1.968 167 1HG2 VAL 26 1HG2 VAL 26 8.187 -6.559 1.853 168 2HG2 VAL 26 2HG2 VAL 26 8.722 -7.001 3.475 169 3HG2 VAL 26 3HG2 VAL 26 9.171 -5.438 2.794 170 H THR 27 H THR 27 6.200 -2.530 4.610 171 HA THR 27 HA THR 27 4.040 -3.541 6.349 172 HB THR 27 HB THR 27 4.103 -1.664 7.749 173 HG1 THR 27 1HG THR 27 4.748 0.233 7.080 174 1HG2 THR 27 1HG2 THR 27 6.353 -1.574 8.602 175 2HG2 THR 27 2HG2 THR 27 7.019 -2.062 7.043 176 3HG2 THR 27 3HG2 THR 27 6.083 -3.210 8.000 177 H LYS 28 H LYS 28 2.143 -1.939 6.317 178 HA LYS 28 HA LYS 28 1.795 -0.939 3.554 179 1HB LYS 28 2HB LYS 28 -0.711 -1.319 4.141 180 2HB LYS 28 1HB LYS 28 0.283 -2.716 3.724 181 1HG LYS 28 2HG LYS 28 0.658 -3.177 6.113 182 2HG LYS 28 1HG LYS 28 -0.314 -1.769 6.543 183 1HD LYS 28 2HD LYS 28 -2.257 -2.787 5.361 184 2HD LYS 28 1HD LYS 28 -1.281 -4.223 5.048 185 1HE LYS 28 2HE LYS 28 -1.948 -3.118 7.793 186 2HE LYS 28 1HE LYS 28 -2.695 -4.533 7.050 187 1HZ LYS 28 1HZ LYS 28 -0.082 -5.088 6.807 188 2HZ LYS 28 2HZ LYS 28 -1.064 -5.635 8.082 189 3HZ LYS 28 3HZ LYS 28 -0.098 -4.251 8.281 190 H GLY 29 H GLY 29 2.354 1.190 3.904 191 1HA GLY 29 2HA GLY 29 1.909 2.869 5.989 192 2HA GLY 29 1HA GLY 29 1.784 3.401 4.314 193 H PHE 30 H PHE 30 -0.389 2.751 3.256 194 HA PHE 30 HA PHE 30 -2.493 3.867 4.897 195 1HB PHE 30 2HB PHE 30 -2.561 2.802 2.063 196 2HB PHE 30 1HB PHE 30 -3.846 3.720 2.849 197 HD1 PHE 30 1HD PHE 30 -3.582 6.103 3.343 198 HD2 PHE 30 2HD PHE 30 -0.464 3.871 1.406 199 HE1 PHE 30 1HE PHE 30 -2.459 8.222 2.708 200 HE2 PHE 30 2HE PHE 30 0.658 5.989 0.772 201 HZ PHE 30 HZ PHE 30 -0.339 8.165 1.422 202 H GLU 31 H GLU 31 -3.955 2.767 6.032 203 HA GLU 31 HA GLU 31 -3.871 -0.101 6.143 204 1HB GLU 31 2HB GLU 31 -5.577 0.111 7.850 205 2HB GLU 31 1HB GLU 31 -4.352 1.352 8.115 206 1HG GLU 31 2HG GLU 31 -5.809 2.945 6.802 207 2HG GLU 31 1HG GLU 31 -7.065 1.708 6.818 208 H LYS 32 H LYS 32 -5.601 2.196 4.283 209 HA LYS 32 HA LYS 32 -7.928 0.576 3.778 210 1HB LYS 32 2HB LYS 32 -7.731 3.135 3.584 211 2HB LYS 32 1HB LYS 32 -6.953 2.829 2.031 212 1HG LYS 32 2HG LYS 32 -8.940 1.459 1.361 213 2HG LYS 32 1HG LYS 32 -9.725 1.933 2.868 214 1HD LYS 32 2HD LYS 32 -9.363 4.348 2.175 215 2HD LYS 32 1HD LYS 32 -8.870 3.739 0.594 216 1HE LYS 32 2HE LYS 32 -11.214 4.260 0.444 217 2HE LYS 32 1HE LYS 32 -11.080 2.502 0.493 218 1HZ LYS 32 1HZ LYS 32 -12.660 3.935 2.106 219 2HZ LYS 32 2HZ LYS 32 -11.274 3.791 3.077 220 3HZ LYS 32 3HZ LYS 32 -12.055 2.399 2.493 221 H ASP 33 H ASP 33 -8.479 -0.351 1.713 222 HA ASP 33 HA ASP 33 -8.050 -1.801 -0.018 223 1HB ASP 33 2HB ASP 33 -5.893 0.267 -0.480 224 2HB ASP 33 1HB ASP 33 -6.269 -1.025 -1.619 225 H ASN 34 H ASN 34 -5.858 -2.818 -1.198 226 HA ASN 34 HA ASN 34 -4.939 -4.761 0.566 227 1HB ASN 34 2HB ASN 34 -4.828 -4.841 -1.947 228 2HB ASN 34 1HB ASN 34 -3.434 -3.764 -1.860 229 1HD2 ASN 34 1HD2 ASN 34 -2.965 -6.249 -2.977 230 2HD2 ASN 34 2HD2 ASN 34 -2.101 -7.232 -1.896 231 H GLY 35 H GLY 35 -3.592 -1.603 -0.220 232 1HA GLY 35 2HA GLY 35 -2.338 -1.010 2.099 233 2HA GLY 35 1HA GLY 35 -1.165 -2.052 1.301 234 H LEU 36 H LEU 36 -2.315 -0.971 -1.340 235 HA LEU 36 HA LEU 36 -1.757 0.646 -2.870 236 1HB LEU 36 2HB LEU 36 -1.480 2.515 -0.513 237 2HB LEU 36 1HB LEU 36 -1.873 2.929 -2.183 238 HG LEU 36 HG LEU 36 -3.595 1.314 -0.279 239 1HD1 LEU 36 1HD1 LEU 36 -4.025 4.020 -1.583 240 2HD1 LEU 36 2HD1 LEU 36 -3.574 3.770 0.102 241 3HD1 LEU 36 3HD1 LEU 36 -5.139 3.208 -0.484 242 1HD2 LEU 36 1HD2 LEU 36 -5.242 1.623 -2.273 243 2HD2 LEU 36 2HD2 LEU 36 -4.007 0.369 -2.401 244 3HD2 LEU 36 3HD2 LEU 36 -3.789 1.912 -3.229 245 H LEU 37 H LEU 37 0.142 1.940 -0.169 246 HA LEU 37 HA LEU 37 2.573 1.524 -1.792 247 1HB LEU 37 2HB LEU 37 2.019 3.872 -1.192 248 2HB LEU 37 1HB LEU 37 2.133 3.437 0.513 249 HG LEU 37 HG LEU 37 4.494 2.524 -0.130 250 1HD1 LEU 37 1HD1 LEU 37 4.444 4.672 -2.204 251 2HD1 LEU 37 2HD1 LEU 37 3.767 3.103 -2.641 252 3HD1 LEU 37 3HD1 LEU 37 5.445 3.223 -2.113 253 1HD2 LEU 37 1HD2 LEU 37 4.361 4.371 1.354 254 2HD2 LEU 37 2HD2 LEU 37 3.698 5.429 0.109 255 3HD2 LEU 37 3HD2 LEU 37 5.392 4.942 0.042 256 H PHE 38 H PHE 38 4.143 0.214 -1.081 257 HA PHE 38 HA PHE 38 3.866 -0.912 1.636 258 1HB PHE 38 2HB PHE 38 5.205 -2.055 -0.829 259 2HB PHE 38 1HB PHE 38 5.174 -2.827 0.758 260 HD1 PHE 38 1HD PHE 38 3.135 -3.804 1.651 261 HD2 PHE 38 2HD PHE 38 3.148 -1.816 -2.158 262 HE1 PHE 38 1HE PHE 38 0.904 -4.760 1.143 263 HE2 PHE 38 2HE PHE 38 0.916 -2.773 -2.664 264 HZ PHE 38 HZ PHE 38 -0.206 -4.245 -1.014 265 H ARG 39 H ARG 39 5.363 -0.395 3.092 266 HA ARG 39 HA ARG 39 7.672 1.172 2.321 267 1HB ARG 39 2HB ARG 39 6.337 1.620 4.393 268 2HB ARG 39 1HB ARG 39 6.940 0.099 5.054 269 1HG ARG 39 2HG ARG 39 9.251 0.898 4.847 270 2HG ARG 39 1HG ARG 39 8.680 2.406 4.130 271 1HD ARG 39 2HD ARG 39 9.084 2.839 6.462 272 2HD ARG 39 1HD ARG 39 7.339 2.796 6.234 273 HE ARG 39 HE ARG 39 7.919 0.233 6.920 274 1HH1 ARG 39 1HH2 ARG 39 8.730 3.329 8.235 275 2HH1 ARG 39 2HH2 ARG 39 8.815 2.766 9.871 276 1HH2 ARG 39 1HH1 ARG 39 8.029 -0.514 9.063 277 2HH2 ARG 39 2HH1 ARG 39 8.417 0.591 10.340 278 H ILE 40 H ILE 40 9.213 0.003 1.298 279 HA ILE 40 HA ILE 40 9.958 -2.640 2.293 280 HB ILE 40 HB ILE 40 11.245 -1.120 0.025 281 1HG1 ILE 40 2HG1 ILE 40 8.793 -2.910 -0.036 282 2HG1 ILE 40 1HG1 ILE 40 8.806 -1.172 -0.340 283 1HG2 ILE 40 1HG2 ILE 40 11.808 -3.358 -0.758 284 2HG2 ILE 40 2HG2 ILE 40 10.874 -4.084 0.551 285 3HG2 ILE 40 3HG2 ILE 40 12.347 -3.184 0.913 286 1HD1 ILE 40 1HD1 ILE 40 10.582 -1.748 -2.162 287 2HD1 ILE 40 2HD1 ILE 40 8.883 -2.073 -2.507 288 3HD1 ILE 40 3HD1 ILE 40 9.953 -3.389 -2.023 289 H VAL 41 H VAL 41 11.673 -3.040 3.553 290 HA VAL 41 HA VAL 41 13.760 -0.974 3.817 291 HB VAL 41 HB VAL 41 12.420 -2.396 6.131 292 1HG1 VAL 41 1HG1 VAL 41 14.741 -0.473 5.909 293 2HG1 VAL 41 2HG1 VAL 41 14.697 -2.041 6.715 294 3HG1 VAL 41 3HG1 VAL 41 13.835 -0.668 7.409 295 1HG2 VAL 41 1HG2 VAL 41 12.381 0.525 5.305 296 2HG2 VAL 41 2HG2 VAL 41 11.577 -0.167 6.714 297 3HG2 VAL 41 3HG2 VAL 41 11.040 -0.601 5.092 298 H ASN 42 H ASN 42 15.746 -1.796 3.655 299 HA ASN 42 HA ASN 42 16.069 -4.720 3.875 300 1HB ASN 42 2HB ASN 42 16.696 -3.351 1.746 301 2HB ASN 42 1HB ASN 42 18.114 -2.878 2.678 302 1HD2 ASN 42 1HD2 ASN 42 16.435 -6.046 2.767 303 2HD2 ASN 42 2HD2 ASN 42 17.768 -6.938 2.212 304 H LYS 43 H LYS 43 16.570 -5.156 5.959 305 HA LYS 43 HA LYS 43 17.873 -3.515 7.782 306 1HB LYS 43 2HB LYS 43 17.853 -6.537 7.615 307 2HB LYS 43 1HB LYS 43 18.387 -5.615 9.021 308 1HG LYS 43 2HG LYS 43 16.141 -4.523 9.106 309 2HG LYS 43 1HG LYS 43 15.620 -5.565 7.781 310 1HD LYS 43 2HD LYS 43 16.157 -7.557 9.168 311 2HD LYS 43 1HD LYS 43 16.587 -6.488 10.503 312 1HE LYS 43 2HE LYS 43 13.871 -6.542 9.156 313 2HE LYS 43 1HE LYS 43 14.250 -7.349 10.678 314 1HZ LYS 43 1HZ LYS 43 13.448 -4.741 10.351 315 2HZ LYS 43 2HZ LYS 43 15.105 -4.641 10.712 316 3HZ LYS 43 3HZ LYS 43 14.049 -5.447 11.770 317 H LYS 44 H LYS 44 19.201 -5.612 5.305 318 HA LYS 44 HA LYS 44 21.829 -5.880 6.148 319 1HB LYS 44 2HB LYS 44 20.816 -5.453 3.326 320 2HB LYS 44 1HB LYS 44 22.404 -6.091 3.756 321 1HG LYS 44 2HG LYS 44 21.164 -7.891 5.086 322 2HG LYS 44 1HG LYS 44 19.702 -7.347 4.263 323 1HD LYS 44 2HD LYS 44 22.229 -8.276 2.869 324 2HD LYS 44 1HD LYS 44 20.780 -9.256 3.087 325 1HE LYS 44 2HE LYS 44 19.523 -7.324 1.926 326 2HE LYS 44 1HE LYS 44 21.117 -6.761 1.424 327 1HZ LYS 44 1HZ LYS 44 20.838 -9.548 0.976 328 2HZ LYS 44 2HZ LYS 44 21.204 -8.315 -0.132 329 3HZ LYS 44 3HZ LYS 44 19.585 -8.700 0.208 330 H LYS 45 H LYS 45 20.806 -3.475 3.718 331 HA LYS 45 HA LYS 45 23.064 -1.781 4.501 332 1HB LYS 45 2HB LYS 45 21.101 -1.374 2.236 333 2HB LYS 45 1HB LYS 45 22.664 -0.584 2.453 334 1HG LYS 45 2HG LYS 45 22.272 -3.568 2.077 335 2HG LYS 45 1HG LYS 45 22.775 -2.450 0.808 336 1HD LYS 45 2HD LYS 45 24.670 -1.773 2.442 337 2HD LYS 45 1HD LYS 45 24.277 -3.269 3.290 338 1HE LYS 45 2HE LYS 45 24.623 -4.544 1.204 339 2HE LYS 45 1HE LYS 45 25.024 -3.049 0.358 340 1HZ LYS 45 1HZ LYS 45 26.816 -4.633 1.566 341 2HZ LYS 45 2HZ LYS 45 26.510 -3.501 2.795 342 3HZ LYS 45 3HZ LYS 45 27.051 -2.979 1.272 343 H LYS 46 H LYS 46 19.855 -2.148 5.315 344 HA LYS 46 HA LYS 46 18.336 -0.842 6.437 345 1HB LYS 46 2HB LYS 46 20.973 0.092 7.236 346 2HB LYS 46 1HB LYS 46 19.769 1.378 7.317 347 1HG LYS 46 2HG LYS 46 19.216 -1.364 8.452 348 2HG LYS 46 1HG LYS 46 20.034 -0.122 9.402 349 1HD LYS 46 2HD LYS 46 18.126 1.418 8.988 350 2HD LYS 46 1HD LYS 46 17.298 0.127 8.117 351 1HE LYS 46 2HE LYS 46 17.934 0.314 11.052 352 2HE LYS 46 1HE LYS 46 16.398 -0.067 10.273 353 1HZ LYS 46 1HZ LYS 46 17.454 -2.142 9.459 354 2HZ LYS 46 2HZ LYS 46 17.304 -2.067 11.149 355 3HZ LYS 46 3HZ LYS 46 18.810 -1.788 10.414 356 H GLN 47 H GLN 47 18.776 -0.393 3.589 357 HA GLN 47 HA GLN 47 18.338 2.497 3.301 358 1HB GLN 47 2HB GLN 47 18.506 2.057 0.881 359 2HB GLN 47 1HB GLN 47 19.917 1.448 1.746 360 1HG GLN 47 2HG GLN 47 18.611 -0.791 1.865 361 2HG GLN 47 1HG GLN 47 17.609 -0.105 0.586 362 1HE2 GLN 47 1HE2 GLN 47 20.378 1.383 -0.109 363 2HE2 GLN 47 2HE2 GLN 47 21.136 0.230 -1.096 364 H TRP 48 H TRP 48 16.339 3.283 3.271 365 HA TRP 48 HA TRP 48 14.060 1.501 3.108 366 1HB TRP 48 2HB TRP 48 14.338 4.480 3.518 367 2HB TRP 48 1HB TRP 48 12.777 3.670 3.404 368 HD1 TRP 48 HD TRP 48 15.407 1.585 5.015 369 HE1 TRP 48 1HE TRP 48 15.023 1.483 7.563 370 HE3 TRP 48 3HE TRP 48 11.878 5.240 5.520 371 HZ2 TRP 48 2HZ TRP 48 13.428 2.782 9.551 372 HZ3 TRP 48 3HZ TRP 48 10.943 5.787 7.749 373 HH2 TRP 48 HH TRP 48 11.714 4.563 9.764 374 H ALA 49 H ALA 49 12.486 1.482 1.519 375 HA ALA 49 HA ALA 49 12.854 3.167 -0.850 376 1HB ALA 49 1HB ALA 49 14.127 1.311 -1.561 377 2HB ALA 49 2HB ALA 49 12.533 1.043 -2.268 378 3HB ALA 49 3HB ALA 49 13.017 0.158 -0.821 379 H TYR 50 H TYR 50 10.977 3.348 -2.143 380 HA TYR 50 HA TYR 50 8.527 2.210 -0.936 381 1HB TYR 50 2HB TYR 50 9.044 5.023 -1.901 382 2HB TYR 50 1HB TYR 50 7.417 4.379 -1.678 383 HD1 TYR 50 1HD TYR 50 10.188 5.948 -0.076 384 HD2 TYR 50 2HD TYR 50 6.906 3.268 0.627 385 HE1 TYR 50 1HE TYR 50 10.340 6.401 2.358 386 HE2 TYR 50 2HE TYR 50 7.058 3.720 3.061 387 HH TYR 50 HH TYR 50 8.819 6.293 4.344 388 H TYR 51 H TYR 51 7.044 1.382 -2.317 389 HA TYR 51 HA TYR 51 7.615 1.619 -5.211 390 1HB TYR 51 2HB TYR 51 8.106 -0.623 -4.665 391 2HB TYR 51 1HB TYR 51 6.732 -0.745 -3.565 392 HD1 TYR 51 1HD TYR 51 7.593 -0.201 -7.165 393 HD2 TYR 51 2HD TYR 51 4.660 -1.555 -4.333 394 HE1 TYR 51 1HE TYR 51 6.173 -1.021 -9.026 395 HE2 TYR 51 2HE TYR 51 3.242 -2.377 -6.194 396 HH TYR 51 HH TYR 51 4.396 -2.651 -9.399 397 H ASN 52 H ASN 52 6.093 2.760 -6.214 398 HA ASN 52 HA ASN 52 3.465 3.108 -5.020 399 1HB ASN 52 2HB ASN 52 4.623 5.023 -6.049 400 2HB ASN 52 1HB ASN 52 4.614 4.192 -7.603 401 1HD2 ASN 52 1HD2 ASN 52 3.309 6.695 -7.348 402 2HD2 ASN 52 2HD2 ASN 52 1.632 6.454 -7.460 403 H ASP 53 H ASP 53 1.751 1.901 -5.479 404 HA ASP 53 HA ASP 53 1.858 0.138 -7.841 405 1HB ASP 53 2HB ASP 53 0.279 -1.271 -6.713 406 2HB ASP 53 1HB ASP 53 1.541 -0.869 -5.551 407 H THR 54 H THR 54 -0.106 2.554 -6.188 408 HA THR 54 HA THR 54 -2.418 2.385 -7.783 409 HB THR 54 HB THR 54 -2.689 4.842 -7.082 410 HG1 THR 54 1HG THR 54 -0.992 5.718 -6.252 411 1HG2 THR 54 1HG2 THR 54 -3.208 4.202 -4.784 412 2HG2 THR 54 2HG2 THR 54 -2.177 2.777 -4.923 413 3HG2 THR 54 3HG2 THR 54 -3.657 2.891 -5.874 414 H THR 55 H THR 55 -2.545 2.629 -9.916 415 HA THR 55 HA THR 55 -0.536 4.153 -11.365 416 HB THR 55 HB THR 55 -1.554 3.253 -13.355 417 HG1 THR 55 1HG THR 55 -3.486 1.749 -12.466 418 1HG2 THR 55 1HG2 THR 55 -1.435 0.847 -12.874 419 2HG2 THR 55 2HG2 THR 55 -1.595 1.175 -11.149 420 3HG2 THR 55 3HG2 THR 55 -0.157 1.710 -12.017 421 H GLN 56 H GLN 56 -3.364 4.894 -9.793 422 HA GLN 56 HA GLN 56 -4.164 6.975 -11.715 423 1HB GLN 56 2HB GLN 56 -5.954 5.538 -10.835 424 2HB GLN 56 1HB GLN 56 -5.527 6.010 -9.189 425 1HG GLN 56 2HG GLN 56 -6.071 8.335 -9.667 426 2HG GLN 56 1HG GLN 56 -6.383 7.946 -11.358 427 1HE2 GLN 56 1HE2 GLN 56 -8.490 9.114 -10.040 428 2HE2 GLN 56 2HE2 GLN 56 -9.687 7.968 -9.677 429 H TYR 57 H TYR 57 -3.208 6.537 -8.321 430 HA TYR 57 HA TYR 57 -2.710 9.450 -8.168 431 1HB TYR 57 2HB TYR 57 -2.936 7.748 -5.721 432 2HB TYR 57 1HB TYR 57 -3.350 9.447 -5.948 433 HD1 TYR 57 1HD TYR 57 -5.429 10.085 -7.162 434 HD2 TYR 57 2HD TYR 57 -4.514 5.997 -6.210 435 HE1 TYR 57 1HE TYR 57 -7.788 9.456 -7.597 436 HE2 TYR 57 2HE TYR 57 -6.873 5.368 -6.645 437 HH TYR 57 HH TYR 57 -9.336 7.809 -7.293 438 H GLU 58 H GLU 58 -0.767 10.177 -7.313 439 HA GLU 58 HA GLU 58 1.424 8.242 -7.393 440 1HB GLU 58 2HB GLU 58 2.834 10.341 -7.178 441 2HB GLU 58 1HB GLU 58 1.843 10.240 -8.634 442 1HG GLU 58 2HG GLU 58 0.720 11.559 -6.183 443 2HG GLU 58 1HG GLU 58 1.844 12.452 -7.205 444 H MET 59 H MET 59 2.850 7.890 -5.688 445 HA MET 59 HA MET 59 1.698 8.363 -3.044 446 1HB MET 59 2HB MET 59 3.800 6.537 -4.153 447 2HB MET 59 1HB MET 59 3.771 6.881 -2.423 448 1HG MET 59 2HG MET 59 2.404 4.847 -3.284 449 2HG MET 59 1HG MET 59 1.625 5.949 -2.148 450 1HE MET 59 1HE MET 59 -1.562 5.642 -3.977 451 2HE MET 59 2HE MET 59 -0.709 5.951 -2.467 452 3HE MET 59 3HE MET 59 -0.477 4.418 -3.304 453 H HIS 60 H HIS 60 2.295 10.061 -1.877 454 HA HIS 60 HA HIS 60 4.907 11.322 -2.410 455 1HB HIS 60 2HB HIS 60 2.341 12.323 -1.186 456 2HB HIS 60 1HB HIS 60 3.864 13.187 -0.969 457 HD1 HIS 60 1HD HIS 60 4.474 14.778 -2.795 458 HD2 HIS 60 2HD HIS 60 1.756 11.902 -4.108 459 HE1 HIS 60 1HE HIS 60 3.874 15.395 -5.177 460 HE2 HIS 60 2HE HIS 60 2.217 13.651 -5.992 461 H VAL 61 H VAL 61 6.515 10.997 -1.017 462 HA VAL 61 HA VAL 61 5.869 9.886 1.635 463 HB VAL 61 HB VAL 61 8.363 9.790 -0.064 464 1HG1 VAL 61 1HG1 VAL 61 9.206 10.091 2.137 465 2HG1 VAL 61 2HG1 VAL 61 9.204 8.345 1.894 466 3HG1 VAL 61 3HG1 VAL 61 7.929 9.103 2.847 467 1HG2 VAL 61 1HG2 VAL 61 6.407 8.197 -0.447 468 2HG2 VAL 61 2HG2 VAL 61 6.724 7.560 1.166 469 3HG2 VAL 61 3HG2 VAL 61 7.953 7.427 -0.092 470 H LEU 62 H LEU 62 6.146 11.082 3.398 471 HA LEU 62 HA LEU 62 8.142 13.237 3.399 472 1HB LEU 62 2HB LEU 62 5.938 14.243 2.785 473 2HB LEU 62 1HB LEU 62 5.286 13.652 4.314 474 HG LEU 62 HG LEU 62 7.134 14.914 5.488 475 1HD1 LEU 62 1HD1 LEU 62 7.958 16.871 3.912 476 2HD1 LEU 62 2HD1 LEU 62 7.644 15.695 2.637 477 3HD1 LEU 62 3HD1 LEU 62 8.800 15.321 3.915 478 1HD2 LEU 62 1HD2 LEU 62 5.399 16.700 3.764 479 2HD2 LEU 62 2HD2 LEU 62 5.966 17.005 5.407 480 3HD2 LEU 62 3HD2 LEU 62 4.754 15.760 5.110 481 H VAL 63 H VAL 63 9.386 12.017 4.828 482 HA VAL 63 HA VAL 63 8.160 11.484 7.466 483 HB VAL 63 HB VAL 63 10.549 10.136 6.185 484 1HG1 VAL 63 1HG1 VAL 63 10.280 8.562 8.110 485 2HG1 VAL 63 2HG1 VAL 63 9.056 9.643 8.780 486 3HG1 VAL 63 3HG1 VAL 63 10.724 10.192 8.616 487 1HG2 VAL 63 1HG2 VAL 63 7.849 8.923 6.796 488 2HG2 VAL 63 2HG2 VAL 63 9.126 8.283 5.761 489 3HG2 VAL 63 3HG2 VAL 63 8.189 9.684 5.242 490 H THR 64 H THR 64 8.982 12.478 9.206 491 HA THR 64 HA THR 64 11.441 14.077 8.841 492 HB THR 64 HB THR 64 9.145 14.454 10.780 493 HG1 THR 64 1HG THR 64 8.508 15.179 8.834 494 1HG2 THR 64 1HG2 THR 64 11.771 15.892 10.388 495 2HG2 THR 64 2HG2 THR 64 11.102 15.230 11.879 496 3HG2 THR 64 3HG2 THR 64 10.386 16.670 11.154 497 H PHE 65 H PHE 65 13.156 13.748 10.158 498 HA PHE 65 HA PHE 65 12.832 11.756 12.322 499 1HB PHE 65 2HB PHE 65 15.455 12.209 10.947 500 2HB PHE 65 1HB PHE 65 14.853 10.763 11.758 501 HD1 PHE 65 1HD PHE 65 13.599 9.110 10.581 502 HD2 PHE 65 2HD PHE 65 14.469 12.885 8.725 503 HE1 PHE 65 1HE PHE 65 12.776 8.232 8.413 504 HE2 PHE 65 2HE PHE 65 13.645 12.007 6.556 505 HZ PHE 65 HZ PHE 65 12.799 9.681 6.400 506 H ASN 66 H ASN 66 14.373 11.964 14.106 507 HA ASN 66 HA ASN 66 14.666 14.742 14.897 508 1HB ASN 66 2HB ASN 66 13.872 12.887 16.433 509 2HB ASN 66 1HB ASN 66 15.530 12.288 16.430 510 1HD2 ASN 66 1HD2 ASN 66 16.779 13.098 18.115 511 2HD2 ASN 66 2HD2 ASN 66 16.521 14.585 18.891 512 H GLU 67 H GLU 67 16.696 15.556 15.798 513 HA GLU 67 HA GLU 67 18.824 15.500 14.042 514 1HB GLU 67 2HB GLU 67 18.785 17.249 15.633 515 2HB GLU 67 1HB GLU 67 18.699 16.124 16.989 516 1HG GLU 67 2HG GLU 67 20.956 15.491 16.767 517 2HG GLU 67 1HG GLU 67 21.057 16.095 15.114 518 H ASP 68 H ASP 68 18.383 13.566 16.992 519 HA ASP 68 HA ASP 68 20.861 12.155 16.696 520 1HB ASP 68 2HB ASP 68 19.682 12.467 18.874 521 2HB ASP 68 1HB ASP 68 18.423 11.372 18.307 522 H CYS 69 H CYS 69 20.286 11.752 14.306 523 HA CYS 69 HA CYS 69 19.458 8.973 14.103 524 1HB CYS 69 2HB CYS 69 18.067 11.042 12.396 525 2HB CYS 69 1HB CYS 69 17.733 9.313 12.477 526 HG CYS 69 HG CYS 69 16.465 11.317 14.255 527 H ASP 70 H ASP 70 21.263 8.221 13.165 528 HA ASP 70 HA ASP 70 22.798 9.757 11.280 529 1HB ASP 70 2HB ASP 70 23.722 8.014 12.872 530 2HB ASP 70 1HB ASP 70 23.010 6.792 11.820 531 H ILE 71 H ILE 71 21.046 10.185 9.750 532 HA ILE 71 HA ILE 71 20.639 7.916 7.895 533 HB ILE 71 HB ILE 71 18.439 8.837 7.352 534 1HG1 ILE 71 2HG1 ILE 71 19.100 10.883 9.494 535 2HG1 ILE 71 1HG1 ILE 71 18.953 11.210 7.767 536 1HG2 ILE 71 1HG2 ILE 71 17.315 8.265 9.418 537 2HG2 ILE 71 2HG2 ILE 71 18.763 8.624 10.358 538 3HG2 ILE 71 3HG2 ILE 71 18.738 7.232 9.275 539 1HD1 ILE 71 1HD1 ILE 71 16.780 10.359 9.689 540 2HD1 ILE 71 2HD1 ILE 71 16.583 10.254 7.939 541 3HD1 ILE 71 3HD1 ILE 71 16.848 11.821 8.704 542 H LYS 72 H LYS 72 20.249 8.588 5.640 543 HA LYS 72 HA LYS 72 21.290 11.243 4.941 544 1HB LYS 72 2HB LYS 72 22.797 10.203 3.235 545 2HB LYS 72 1HB LYS 72 23.276 9.863 4.899 546 1HG LYS 72 2HG LYS 72 22.001 7.692 4.735 547 2HG LYS 72 1HG LYS 72 21.778 8.022 3.016 548 1HD LYS 72 2HD LYS 72 24.458 7.811 4.421 549 2HD LYS 72 1HD LYS 72 23.738 6.559 3.409 550 1HE LYS 72 2HE LYS 72 25.109 7.643 1.870 551 2HE LYS 72 1HE LYS 72 23.586 8.500 1.631 552 1HZ LYS 72 1HZ LYS 72 24.798 10.315 2.030 553 2HZ LYS 72 2HZ LYS 72 26.076 9.442 2.731 554 3HZ LYS 72 3HZ LYS 72 24.718 9.863 3.662 555 H ALA 73 H ALA 73 21.426 11.042 2.255 556 HA ALA 73 HA ALA 73 18.659 10.317 1.506 557 1HB ALA 73 1HB ALA 73 19.828 12.780 1.359 558 2HB ALA 73 2HB ALA 73 18.490 12.253 0.340 559 3HB ALA 73 3HB ALA 73 20.145 12.150 -0.257 560 H LEU 74 H LEU 74 18.299 9.067 -0.275 561 HA LEU 74 HA LEU 74 20.675 7.790 -1.452 562 1HB LEU 74 2HB LEU 74 17.763 6.959 -1.440 563 2HB LEU 74 1HB LEU 74 19.067 6.054 -2.211 564 HG LEU 74 HG LEU 74 19.031 6.790 0.728 565 1HD1 LEU 74 1HD1 LEU 74 17.209 5.168 -0.069 566 2HD1 LEU 74 2HD1 LEU 74 18.277 4.582 1.204 567 3HD1 LEU 74 3HD1 LEU 74 18.522 4.059 -0.462 568 1HD2 LEU 74 1HD2 LEU 74 20.868 5.288 -1.099 569 2HD2 LEU 74 2HD2 LEU 74 20.713 4.736 0.569 570 3HD2 LEU 74 3HD2 LEU 74 21.260 6.378 0.230 571 H GLY 75 H GLY 75 17.619 7.685 -3.073 572 1HA GLY 75 2HA GLY 75 18.657 8.441 -5.569 573 2HA GLY 75 1HA GLY 75 16.945 8.402 -5.154 574 H LYS 76 H LYS 76 16.266 10.288 -6.070 575 HA LYS 76 HA LYS 76 17.742 12.743 -5.859 576 1HB LYS 76 2HB LYS 76 15.881 13.744 -7.017 577 2HB LYS 76 1HB LYS 76 16.192 12.171 -7.751 578 1HG LYS 76 2HG LYS 76 14.424 11.224 -6.183 579 2HG LYS 76 1HG LYS 76 14.007 12.892 -5.786 580 1HD LYS 76 2HD LYS 76 14.012 11.727 -8.586 581 2HD LYS 76 1HD LYS 76 12.571 11.979 -7.600 582 1HE LYS 76 2HE LYS 76 12.623 13.930 -8.891 583 2HE LYS 76 1HE LYS 76 13.445 14.441 -7.417 584 1HZ LYS 76 1HZ LYS 76 15.361 14.697 -8.495 585 2HZ LYS 76 2HZ LYS 76 14.446 14.641 -9.926 586 3HZ LYS 76 3HZ LYS 76 15.201 13.236 -9.341 587 H THR 77 H THR 77 16.026 11.039 -3.623 588 HA THR 77 HA THR 77 14.293 12.739 -2.337 589 HB THR 77 HB THR 77 16.327 10.938 -1.001 590 HG1 THR 77 1HG THR 77 14.976 9.345 -1.431 591 1HG2 THR 77 1HG2 THR 77 13.749 12.223 -0.093 592 2HG2 THR 77 2HG2 THR 77 15.339 12.321 0.664 593 3HG2 THR 77 3HG2 THR 77 14.430 10.811 0.714 594 H LYS 78 H LYS 78 14.492 14.749 -1.607 595 HA LYS 78 HA LYS 78 17.109 15.941 -1.232 596 1HB LYS 78 2HB LYS 78 15.197 17.161 -2.294 597 2HB LYS 78 1HB LYS 78 14.383 17.153 -0.729 598 1HG LYS 78 2HG LYS 78 16.318 18.343 0.268 599 2HG LYS 78 1HG LYS 78 17.088 18.391 -1.319 600 1HD LYS 78 2HD LYS 78 15.121 19.644 -2.199 601 2HD LYS 78 1HD LYS 78 14.440 19.665 -0.573 602 1HE LYS 78 2HE LYS 78 17.168 20.785 -1.264 603 2HE LYS 78 1HE LYS 78 15.702 21.761 -1.181 604 1HZ LYS 78 1HZ LYS 78 16.074 20.082 1.115 605 2HZ LYS 78 2HZ LYS 78 15.738 21.746 1.030 606 3HZ LYS 78 3HZ LYS 78 17.339 21.192 0.904 607 H LEU 79 H LEU 79 18.185 15.915 0.625 608 HA LEU 79 HA LEU 79 16.662 15.531 3.132 609 1HB LEU 79 2HB LEU 79 18.138 13.653 2.673 610 2HB LEU 79 1HB LEU 79 19.505 14.746 2.450 611 HG LEU 79 HG LEU 79 19.356 15.473 4.774 612 1HD1 LEU 79 1HD1 LEU 79 16.842 13.831 4.684 613 2HD1 LEU 79 2HD1 LEU 79 17.097 15.439 5.362 614 3HD1 LEU 79 3HD1 LEU 79 17.701 14.017 6.212 615 1HD2 LEU 79 1HD2 LEU 79 20.519 13.274 4.088 616 2HD2 LEU 79 2HD2 LEU 79 19.128 12.459 4.801 617 3HD2 LEU 79 3HD2 LEU 79 20.156 13.485 5.801 618 H GLU 80 H GLU 80 16.762 17.088 4.626 619 HA GLU 80 HA GLU 80 19.045 18.893 4.756 620 1HB GLU 80 2HB GLU 80 17.600 19.982 3.096 621 2HB GLU 80 1HB GLU 80 16.245 19.917 4.223 622 1HG GLU 80 2HG GLU 80 17.288 22.133 4.301 623 2HG GLU 80 1HG GLU 80 17.540 21.294 5.830 624 H GLN 81 H GLN 81 19.235 19.942 6.744 625 HA GLN 81 HA GLN 81 17.448 18.898 8.846 626 1HB GLN 81 2HB GLN 81 19.890 18.406 9.031 627 2HB GLN 81 1HB GLN 81 20.192 20.140 9.142 628 1HG GLN 81 2HG GLN 81 18.779 20.274 11.148 629 2HG GLN 81 1HG GLN 81 18.436 18.548 11.033 630 1HE2 GLN 81 1HE2 GLN 81 19.605 19.347 13.392 631 2HE2 GLN 81 2HE2 GLN 81 21.241 18.895 13.436 632 H GLN 82 H GLN 82 16.628 20.284 10.450 633 HA GLN 82 HA GLN 82 16.404 23.091 9.577 634 1HB GLN 82 2HB GLN 82 14.674 21.958 11.727 635 2HB GLN 82 1HB GLN 82 14.284 23.136 10.473 636 1HG GLN 82 2HG GLN 82 14.630 20.147 10.124 637 2HG GLN 82 1HG GLN 82 13.145 21.076 9.924 638 1HE2 GLN 82 1HE2 GLN 82 15.068 19.455 7.996 639 2HE2 GLN 82 2HE2 GLN 82 15.209 20.503 6.668 640 H GLU 83 H GLU 83 16.112 24.676 11.433 641 HA GLU 83 HA GLU 83 18.447 24.669 13.038 642 1HB GLU 83 2HB GLU 83 15.939 26.339 13.334 643 2HB GLU 83 1HB GLU 83 17.510 26.690 14.058 644 1HG GLU 83 2HG GLU 83 18.505 26.792 11.779 645 2HG GLU 83 1HG GLU 83 16.902 26.534 11.091 646 H ASN 84 H ASN 84 15.078 23.838 13.688 647 HA ASN 84 HA ASN 84 15.177 23.642 16.475 648 1HB ASN 84 2HB ASN 84 13.318 21.955 16.173 649 2HB ASN 84 1HB ASN 84 13.057 23.504 15.375 650 1HD2 ASN 84 1HD2 ASN 84 14.906 20.539 14.449 651 2HD2 ASN 84 2HD2 ASN 84 14.176 20.393 12.924 652 H GLY 85 H GLY 85 16.511 21.593 14.017 653 1HA GLY 85 2HA GLY 85 18.296 20.078 14.499 654 2HA GLY 85 1HA GLY 85 17.634 19.861 16.117 655 H GLU 86 H GLU 86 16.213 19.621 12.852 656 HA GLU 86 HA GLU 86 15.651 16.775 13.350 657 1HB GLU 86 2HB GLU 86 13.607 18.833 12.479 658 2HB GLU 86 1HB GLU 86 13.344 17.089 12.467 659 1HG GLU 86 2HG GLU 86 13.789 17.014 14.902 660 2HG GLU 86 1HG GLU 86 14.010 18.762 14.907 661 H TRP 87 H TRP 87 15.384 15.524 11.461 662 HA TRP 87 HA TRP 87 16.499 16.798 9.045 663 1HB TRP 87 2HB TRP 87 16.455 13.932 9.998 664 2HB TRP 87 1HB TRP 87 16.927 14.386 8.361 665 HD1 TRP 87 HD TRP 87 18.096 14.481 11.959 666 HE1 TRP 87 1HE TRP 87 20.545 15.283 12.034 667 HE3 TRP 87 3HE TRP 87 18.699 15.930 7.100 668 HZ2 TRP 87 2HZ TRP 87 22.495 16.412 10.271 669 HZ3 TRP 87 3HZ TRP 87 20.859 16.869 6.327 670 HH2 TRP 87 HH TRP 87 22.756 17.111 7.904 671 H VAL 88 H VAL 88 15.464 16.663 7.087 672 HA VAL 88 HA VAL 88 12.795 15.389 7.081 673 HB VAL 88 HB VAL 88 13.578 18.069 5.914 674 1HG1 VAL 88 1HG1 VAL 88 12.077 17.074 4.353 675 2HG1 VAL 88 2HG1 VAL 88 11.071 18.109 5.366 676 3HG1 VAL 88 3HG1 VAL 88 11.094 16.366 5.635 677 1HG2 VAL 88 1HG2 VAL 88 13.116 17.968 8.381 678 2HG2 VAL 88 2HG2 VAL 88 11.516 17.326 8.014 679 3HG2 VAL 88 3HG2 VAL 88 11.952 18.954 7.497 680 H ALA 89 H ALA 89 12.325 14.158 5.343 681 HA ALA 89 HA ALA 89 14.021 14.365 2.948 682 1HB ALA 89 1HB ALA 89 14.901 12.565 4.489 683 2HB ALA 89 2HB ALA 89 14.441 12.005 2.881 684 3HB ALA 89 3HB ALA 89 13.372 11.717 4.255 685 H SER 90 H SER 90 12.535 14.938 1.472 686 HA SER 90 HA SER 90 10.017 13.386 1.375 687 1HB SER 90 2HB SER 90 8.900 15.308 0.520 688 2HB SER 90 1HB SER 90 9.840 15.867 1.901 689 HG SER 90 HG SER 90 10.877 17.116 0.580 690 H VAL 91 H VAL 91 9.359 12.550 -0.572 691 HA VAL 91 HA VAL 91 10.653 13.232 -3.053 692 HB VAL 91 HB VAL 91 12.296 11.683 -1.896 693 1HG1 VAL 91 1HG1 VAL 91 10.214 9.581 -2.539 694 2HG1 VAL 91 2HG1 VAL 91 10.426 10.253 -0.922 695 3HG1 VAL 91 3HG1 VAL 91 11.742 9.360 -1.684 696 1HG2 VAL 91 1HG2 VAL 91 12.486 11.904 -4.260 697 2HG2 VAL 91 2HG2 VAL 91 10.997 11.002 -4.541 698 3HG2 VAL 91 3HG2 VAL 91 12.441 10.165 -3.969 699 H VAL 92 H VAL 92 9.450 12.599 -4.805 700 HA VAL 92 HA VAL 92 6.897 11.266 -4.179 701 HB VAL 92 HB VAL 92 7.682 12.964 -6.560 702 1HG1 VAL 92 1HG1 VAL 92 5.080 11.663 -5.713 703 2HG1 VAL 92 2HG1 VAL 92 5.970 11.401 -7.212 704 3HG1 VAL 92 3HG1 VAL 92 5.172 12.946 -6.919 705 1HG2 VAL 92 1HG2 VAL 92 6.084 14.588 -5.495 706 2HG2 VAL 92 2HG2 VAL 92 7.539 14.307 -4.538 707 3HG2 VAL 92 3HG2 VAL 92 6.021 13.531 -4.084 708 H VAL 93 H VAL 93 6.352 9.362 -5.079 709 HA VAL 93 HA VAL 93 8.243 8.191 -7.029 710 HB VAL 93 HB VAL 93 6.464 6.743 -5.054 711 1HG1 VAL 93 1HG1 VAL 93 7.857 4.794 -5.711 712 2HG1 VAL 93 2HG1 VAL 93 8.679 5.802 -6.902 713 3HG1 VAL 93 3HG1 VAL 93 6.961 5.449 -7.080 714 1HG2 VAL 93 1HG2 VAL 93 9.467 7.177 -5.004 715 2HG2 VAL 93 2HG2 VAL 93 8.511 6.315 -3.798 716 3HG2 VAL 93 3HG2 VAL 93 8.317 8.058 -3.996 717 H TYR 94 H TYR 94 7.469 7.634 -8.971 718 HA TYR 94 HA TYR 94 4.602 7.968 -9.468 719 1HB TYR 94 2HB TYR 94 6.948 7.621 -11.349 720 2HB TYR 94 1HB TYR 94 5.275 7.833 -11.864 721 HD1 TYR 94 1HD TYR 94 8.275 9.530 -11.227 722 HD2 TYR 94 2HD TYR 94 4.034 9.887 -10.644 723 HE1 TYR 94 1HE TYR 94 8.517 11.985 -10.976 724 HE2 TYR 94 2HE TYR 94 4.277 12.342 -10.390 725 HH TYR 94 HH TYR 94 6.067 14.108 -11.242 726 HA PRO 95 HA PRO 95 3.622 3.704 -9.629 727 1HB PRO 95 2HB PRO 95 1.977 3.662 -11.866 728 2HB PRO 95 1HB PRO 95 1.468 4.152 -10.241 729 1HG PRO 95 2HG PRO 95 2.243 5.831 -12.569 730 2HG PRO 95 1HG PRO 95 0.976 6.090 -11.359 731 1HD PRO 95 2HD PRO 95 3.304 7.453 -11.264 732 2HD PRO 95 1HD PRO 95 2.464 6.948 -9.781 733 H CYS 96 H CYS 96 4.101 1.758 -10.728 734 HA CYS 96 HA CYS 96 5.265 0.369 -12.140 735 1HB CYS 96 2HB CYS 96 5.334 2.574 -14.185 736 2HB CYS 96 1HB CYS 96 5.252 0.830 -14.441 737 HG CYS 96 HG CYS 96 2.865 2.617 -14.159 738 H GLU 97 H GLU 97 6.464 2.911 -10.641 739 HA GLU 97 HA GLU 97 9.210 2.371 -11.561 740 1HB GLU 97 2HB GLU 97 7.910 5.070 -11.198 741 2HB GLU 97 1HB GLU 97 9.661 4.856 -11.143 742 1HG GLU 97 2HG GLU 97 7.951 3.880 -13.442 743 2HG GLU 97 1HG GLU 97 8.724 5.464 -13.423 744 H THR 98 H THR 98 10.752 2.364 -9.957 745 HA THR 98 HA THR 98 9.789 2.855 -7.203 746 HB THR 98 HB THR 98 11.817 0.745 -7.941 747 HG1 THR 98 1HG THR 98 10.189 -0.308 -8.714 748 1HG2 THR 98 1HG2 THR 98 11.100 -0.150 -5.719 749 2HG2 THR 98 2HG2 THR 98 10.080 1.275 -5.515 750 3HG2 THR 98 3HG2 THR 98 11.832 1.451 -5.613 751 H GLU 99 H GLU 99 11.099 4.027 -5.896 752 HA GLU 99 HA GLU 99 13.794 4.711 -6.898 753 1HB GLU 99 2HB GLU 99 11.870 6.669 -5.626 754 2HB GLU 99 1HB GLU 99 13.467 7.026 -6.286 755 1HG GLU 99 2HG GLU 99 12.660 6.247 -8.524 756 2HG GLU 99 1HG GLU 99 11.048 6.056 -7.835 757 H MET 100 H MET 100 15.265 5.471 -5.232 758 HA MET 100 HA MET 100 14.915 3.996 -2.757 759 1HB MET 100 2HB MET 100 17.206 5.775 -3.624 760 2HB MET 100 1HB MET 100 17.221 4.604 -2.304 761 1HG MET 100 2HG MET 100 16.806 3.949 -5.238 762 2HG MET 100 1HG MET 100 18.285 3.663 -4.320 763 1HE MET 100 1HE MET 100 16.933 2.494 -1.348 764 2HE MET 100 2HE MET 100 18.433 2.563 -2.270 765 3HE MET 100 3HE MET 100 17.695 1.003 -1.917 766 H PHE 101 H PHE 101 15.002 4.912 -0.667 767 HA PHE 101 HA PHE 101 14.029 7.696 -0.575 768 1HB PHE 101 2HB PHE 101 12.500 5.973 0.333 769 2HB PHE 101 1HB PHE 101 13.746 5.500 1.490 770 HD1 PHE 101 1HD PHE 101 12.800 6.147 3.571 771 HD2 PHE 101 2HD PHE 101 12.878 8.925 0.296 772 HE1 PHE 101 1HE PHE 101 12.008 7.949 5.080 773 HE2 PHE 101 2HE PHE 101 12.101 10.731 1.807 774 HZ PHE 101 HZ PHE 101 11.658 10.241 4.199 775 H ILE 102 H ILE 102 15.054 6.184 2.331 776 HA ILE 102 HA ILE 102 17.594 7.695 2.289 777 HB ILE 102 HB ILE 102 17.225 8.413 4.567 778 1HG1 ILE 102 2HG1 ILE 102 14.805 7.917 5.468 779 2HG1 ILE 102 1HG1 ILE 102 14.868 6.558 4.346 780 1HG2 ILE 102 1HG2 ILE 102 14.638 8.898 3.074 781 2HG2 ILE 102 2HG2 ILE 102 16.157 9.668 2.615 782 3HG2 ILE 102 3HG2 ILE 102 15.455 9.980 4.202 783 1HD1 ILE 102 1HD1 ILE 102 16.269 5.404 5.687 784 2HD1 ILE 102 2HD1 ILE 102 15.923 6.608 6.930 785 3HD1 ILE 102 3HD1 ILE 102 17.331 6.798 5.884 786 H GLU 103 H GLU 103 19.163 6.928 3.908 787 HA GLU 103 HA GLU 103 18.756 4.130 4.734 788 1HB GLU 103 2HB GLU 103 19.971 4.020 2.624 789 2HB GLU 103 1HB GLU 103 21.157 5.184 3.219 790 1HG GLU 103 2HG GLU 103 21.891 3.644 4.940 791 2HG GLU 103 1HG GLU 103 20.604 2.510 4.533 792 H GLY 104 H GLY 104 20.200 3.433 6.426 793 1HA GLY 104 2HA GLY 104 22.086 4.105 7.914 794 2HA GLY 104 1HA GLY 104 21.316 5.688 7.989 795 H ARG 105 H ARG 105 21.401 5.275 10.344 796 HA ARG 105 HA ARG 105 19.539 3.276 11.374 797 1HB ARG 105 2HB ARG 105 21.737 3.729 12.486 798 2HB ARG 105 1HB ARG 105 21.148 5.341 12.892 799 1HG ARG 105 2HG ARG 105 19.245 4.328 14.113 800 2HG ARG 105 1HG ARG 105 19.872 2.722 13.736 801 1HD ARG 105 2HD ARG 105 21.983 3.300 14.917 802 2HD ARG 105 1HD ARG 105 21.289 4.859 15.352 803 HE ARG 105 HE ARG 105 20.659 2.293 16.543 804 1HH1 ARG 105 1HH2 ARG 105 19.650 5.542 15.912 805 2HH1 ARG 105 2HH2 ARG 105 18.552 5.609 17.249 806 1HH2 ARG 105 1HH1 ARG 105 19.220 2.372 18.299 807 2HH2 ARG 105 2HH1 ARG 105 18.308 3.814 18.601 808 H VAL 106 H VAL 106 17.589 3.712 12.326 809 HA VAL 106 HA VAL 106 16.697 6.531 12.319 810 HB VAL 106 HB VAL 106 14.855 4.231 11.698 811 1HG1 VAL 106 1HG1 VAL 106 14.107 6.616 12.368 812 2HG1 VAL 106 2HG1 VAL 106 13.408 5.925 10.905 813 3HG1 VAL 106 3HG1 VAL 106 14.714 7.105 10.786 814 1HG2 VAL 106 1HG2 VAL 106 16.672 5.781 9.843 815 2HG2 VAL 106 2HG2 VAL 106 15.198 5.001 9.271 816 3HG2 VAL 106 3HG2 VAL 106 16.491 4.033 9.976 817 H ASN 107 H ASN 107 15.653 7.214 14.103 818 HA ASN 107 HA ASN 107 14.568 5.276 16.008 819 1HB ASN 107 2HB ASN 107 15.795 6.494 17.877 820 2HB ASN 107 1HB ASN 107 16.779 5.436 16.869 821 1HD2 ASN 107 1HD2 ASN 107 17.829 7.721 18.358 822 2HD2 ASN 107 2HD2 ASN 107 18.427 8.824 17.215 823 H GLY 108 H GLY 108 12.592 5.988 16.472 824 1HA GLY 108 2HA GLY 108 10.802 7.397 16.817 825 2HA GLY 108 1HA GLY 108 11.969 8.444 17.620 826 H PHE 109 H PHE 109 10.001 7.999 14.858 827 HA PHE 109 HA PHE 109 10.823 10.610 13.831 828 1HB PHE 109 2HB PHE 109 10.974 9.712 11.505 829 2HB PHE 109 1HB PHE 109 12.252 9.117 12.567 830 HD1 PHE 109 1HD PHE 109 12.101 6.818 13.543 831 HD2 PHE 109 2HD PHE 109 9.315 8.234 10.595 832 HE1 PHE 109 1HE PHE 109 11.379 4.487 13.105 833 HE2 PHE 109 2HE PHE 109 8.595 5.902 10.156 834 HZ PHE 109 HZ PHE 109 9.625 4.028 11.411 835 H LYS 110 H LYS 110 9.294 11.492 12.285 836 HA LYS 110 HA LYS 110 6.583 10.389 12.676 837 1HB LYS 110 2HB LYS 110 7.041 12.716 13.499 838 2HB LYS 110 1HB LYS 110 7.352 13.190 11.828 839 1HG LYS 110 2HG LYS 110 5.057 12.309 11.244 840 2HG LYS 110 1HG LYS 110 4.764 12.110 12.972 841 1HD LYS 110 2HD LYS 110 5.554 14.730 11.665 842 2HD LYS 110 1HD LYS 110 3.897 14.282 12.076 843 1HE LYS 110 2HE LYS 110 4.835 13.865 14.464 844 2HE LYS 110 1HE LYS 110 6.209 14.831 13.928 845 1HZ LYS 110 1HZ LYS 110 3.448 15.795 13.550 846 2HZ LYS 110 2HZ LYS 110 4.891 16.690 13.615 847 3HZ LYS 110 3HZ LYS 110 4.243 16.014 15.033 848 H SER 111 H SER 111 5.488 9.629 10.974 849 HA SER 111 HA SER 111 6.583 10.157 8.278 850 1HB SER 111 2HB SER 111 5.097 7.691 9.202 851 2HB SER 111 1HB SER 111 5.845 7.944 7.627 852 HG SER 111 HG SER 111 7.844 7.966 8.606 853 H LYS 112 H LYS 112 5.252 10.971 6.779 854 HA LYS 112 HA LYS 112 2.342 10.821 7.200 855 1HB LYS 112 2HB LYS 112 3.190 13.030 8.031 856 2HB LYS 112 1HB LYS 112 3.782 13.362 6.403 857 1HG LYS 112 2HG LYS 112 1.576 13.326 5.488 858 2HG LYS 112 1HG LYS 112 0.902 12.627 6.960 859 1HD LYS 112 2HD LYS 112 0.381 15.008 6.896 860 2HD LYS 112 1HD LYS 112 1.540 14.705 8.190 861 1HE LYS 112 2HE LYS 112 3.341 15.594 6.944 862 2HE LYS 112 1HE LYS 112 2.456 15.479 5.422 863 1HZ LYS 112 1HZ LYS 112 2.309 17.708 5.958 864 2HZ LYS 112 2HZ LYS 112 2.117 17.414 7.620 865 3HZ LYS 112 3HZ LYS 112 0.839 17.100 6.546 866 H MET 113 H MET 113 1.394 10.047 5.426 867 HA MET 113 HA MET 113 2.658 10.578 2.807 868 1HB MET 113 2HB MET 113 1.557 7.968 3.859 869 2HB MET 113 1HB MET 113 1.886 8.261 2.151 870 1HG MET 113 2HG MET 113 4.244 8.851 2.765 871 2HG MET 113 1HG MET 113 3.886 8.376 4.426 872 1HE MET 113 1HE MET 113 3.493 6.346 5.309 873 2HE MET 113 2HE MET 113 3.613 4.746 4.581 874 3HE MET 113 3HE MET 113 2.155 5.705 4.344 875 H ASP 114 H ASP 114 1.162 10.265 0.972 876 HA ASP 114 HA ASP 114 -1.685 10.367 1.519 877 1HB ASP 114 2HB ASP 114 -0.723 12.737 1.836 878 2HB ASP 114 1HB ASP 114 -0.477 12.728 0.090 879 H ALA 115 H ALA 115 -2.904 10.702 -0.613 880 HA ALA 115 HA ALA 115 -1.368 9.492 -2.834 881 1HB ALA 115 1HB ALA 115 -2.816 7.788 -1.929 882 2HB ALA 115 2HB ALA 115 -3.501 8.330 -3.461 883 3HB ALA 115 3HB ALA 115 -4.194 8.889 -1.939 884 H LEU 116 H LEU 116 -1.031 11.419 -3.923 885 HA LEU 116 HA LEU 116 -3.318 13.124 -4.554 886 1HB LEU 116 2HB LEU 116 -0.546 13.517 -5.641 887 2HB LEU 116 1HB LEU 116 -1.770 14.726 -5.248 888 HG LEU 116 HG LEU 116 -0.189 13.046 -3.280 889 1HD1 LEU 116 1HD1 LEU 116 -0.325 16.056 -3.511 890 2HD1 LEU 116 2HD1 LEU 116 0.859 15.107 -4.412 891 3HD1 LEU 116 3HD1 LEU 116 0.864 15.079 -2.648 892 1HD2 LEU 116 1HD2 LEU 116 -2.362 13.259 -2.338 893 2HD2 LEU 116 2HD2 LEU 116 -2.545 14.908 -2.935 894 3HD2 LEU 116 3HD2 LEU 116 -1.429 14.569 -1.613 895 HA PRO 117 HA PRO 117 -3.985 11.332 -8.521 896 1HB PRO 117 2HB PRO 117 -5.121 13.424 -9.837 897 2HB PRO 117 1HB PRO 117 -5.956 12.536 -8.550 898 1HG PRO 117 2HG PRO 117 -4.582 15.174 -8.446 899 2HG PRO 117 1HG PRO 117 -6.087 14.651 -7.671 900 1HD PRO 117 2HD PRO 117 -3.672 14.808 -6.355 901 2HD PRO 117 1HD PRO 117 -4.990 13.716 -5.873 902 H LEU 118 H LEU 118 -2.689 10.944 -10.233 903 HA LEU 118 HA LEU 118 -0.295 12.259 -10.724 904 1HB LEU 118 2HB LEU 118 -1.973 10.727 -12.726 905 2HB LEU 118 1HB LEU 118 -0.249 11.074 -12.867 906 HG LEU 118 HG LEU 118 -1.304 9.667 -10.428 907 1HD1 LEU 118 1HD1 LEU 118 -0.534 8.360 -13.056 908 2HD1 LEU 118 2HD1 LEU 118 -2.163 8.417 -12.381 909 3HD1 LEU 118 3HD1 LEU 118 -0.897 7.512 -11.552 910 1HD2 LEU 118 1HD2 LEU 118 1.312 9.334 -11.913 911 2HD2 LEU 118 2HD2 LEU 118 0.946 8.893 -10.244 912 3HD2 LEU 118 3HD2 LEU 118 1.076 10.592 -10.698 913 H SER 119 H SER 119 -0.180 14.397 -11.091 914 HA SER 119 HA SER 119 -2.144 15.775 -12.712 915 1HB SER 119 2HB SER 119 0.382 16.668 -11.321 916 2HB SER 119 1HB SER 119 -0.611 17.748 -12.295 917 HG SER 119 HG SER 119 -2.381 17.140 -10.918 918 H GLU 120 H GLU 120 -0.962 17.518 -14.255 919 HA GLU 120 HA GLU 120 -0.215 16.145 -16.560 920 1HB GLU 120 2HB GLU 120 0.451 18.304 -17.456 921 2HB GLU 120 1HB GLU 120 -1.018 18.499 -16.498 922 1HG GLU 120 2HG GLU 120 0.439 19.143 -14.544 923 2HG GLU 120 1HG GLU 120 1.817 19.142 -15.644 924 H GLU 121 H GLU 121 1.705 17.234 -13.858 925 HA GLU 121 HA GLU 121 4.262 17.201 -15.010 926 1HB GLU 121 2HB GLU 121 5.082 16.832 -12.708 927 2HB GLU 121 1HB GLU 121 3.842 18.085 -12.764 928 1HG GLU 121 2HG GLU 121 2.920 16.873 -11.065 929 2HG GLU 121 1HG GLU 121 2.286 15.896 -12.388 930 H TYR 122 H TYR 122 2.279 14.594 -13.678 931 HA TYR 122 HA TYR 122 4.245 12.561 -13.775 932 1HB TYR 122 2HB TYR 122 2.324 12.082 -12.489 933 2HB TYR 122 1HB TYR 122 1.232 12.528 -13.801 934 HD1 TYR 122 1HD TYR 122 3.997 10.114 -13.023 935 HD2 TYR 122 2HD TYR 122 0.348 10.850 -15.168 936 HE1 TYR 122 1HE TYR 122 3.991 7.766 -13.818 937 HE2 TYR 122 2HE TYR 122 0.343 8.501 -15.963 938 HH TYR 122 HH TYR 122 2.816 6.188 -14.875 939 H ARG 123 H ARG 123 1.862 13.703 -16.133 940 HA ARG 123 HA ARG 123 2.180 11.741 -18.092 941 1HB ARG 123 2HB ARG 123 1.669 14.702 -18.477 942 2HB ARG 123 1HB ARG 123 1.380 13.444 -19.680 943 1HG ARG 123 2HG ARG 123 0.142 13.165 -16.962 944 2HG ARG 123 1HG ARG 123 -0.593 14.268 -18.128 945 1HD ARG 123 2HD ARG 123 0.024 11.345 -18.647 946 2HD ARG 123 1HD ARG 123 -1.570 11.989 -18.261 947 HE ARG 123 HE ARG 123 -0.206 12.174 -20.805 948 1HH1 ARG 123 1HH2 ARG 123 -2.564 13.539 -18.672 949 2HH1 ARG 123 2HH2 ARG 123 -3.464 14.309 -19.936 950 1HH2 ARG 123 1HH1 ARG 123 -1.381 13.179 -22.468 951 2HH2 ARG 123 2HH1 ARG 123 -2.794 14.104 -22.086 952 H GLN 124 H GLN 124 4.073 14.662 -17.453 953 HA GLN 124 HA GLN 124 5.751 14.507 -19.724 954 1HB GLN 124 2HB GLN 124 5.489 16.488 -18.177 955 2HB GLN 124 1HB GLN 124 6.505 15.627 -17.020 956 1HG GLN 124 2HG GLN 124 7.962 17.059 -18.285 957 2HG GLN 124 1HG GLN 124 8.238 15.415 -18.859 958 1HE2 GLN 124 1HE2 GLN 124 8.704 15.736 -21.067 959 2HE2 GLN 124 2HE2 GLN 124 7.678 16.559 -22.140 960 H HIS 125 H HIS 125 5.935 13.062 -16.512 961 HA HIS 125 HA HIS 125 8.570 12.049 -16.710 962 1HB HIS 125 2HB HIS 125 7.595 12.109 -14.546 963 2HB HIS 125 1HB HIS 125 6.169 11.219 -15.082 964 HD1 HIS 125 1HD HIS 125 9.802 10.749 -14.217 965 HD2 HIS 125 2HD HIS 125 6.502 8.411 -15.225 966 HE1 HIS 125 1HE HIS 125 10.457 8.348 -13.751 967 HE2 HIS 125 2HE HIS 125 8.460 6.909 -14.374 968 H GLN 126 H GLN 126 5.664 11.153 -18.256 969 HA GLN 126 HA GLN 126 6.509 8.406 -18.771 970 1HB GLN 126 2HB GLN 126 4.099 9.949 -19.763 971 2HB GLN 126 1HB GLN 126 4.380 8.222 -19.983 972 1HG GLN 126 2HG GLN 126 4.532 8.040 -17.453 973 2HG GLN 126 1HG GLN 126 3.946 9.701 -17.379 974 1HE2 GLN 126 1HE2 GLN 126 1.701 10.070 -17.751 975 2HE2 GLN 126 2HE2 GLN 126 0.597 8.820 -18.066 976 H ALA 127 H ALA 127 6.412 11.528 -20.342 977 HA ALA 127 HA ALA 127 6.776 10.653 -23.013 978 1HB ALA 127 1HB ALA 127 7.566 12.974 -23.417 979 2HB ALA 127 2HB ALA 127 7.557 13.253 -21.675 980 3HB ALA 127 3HB ALA 127 6.046 12.923 -22.524 981 H GLU 128 H GLU 128 9.066 11.624 -20.477 982 HA GLU 128 HA GLU 128 11.416 11.427 -22.017 983 1HB GLU 128 2HB GLU 128 12.598 11.374 -19.904 984 2HB GLU 128 1HB GLU 128 11.250 12.504 -19.766 985 1HG GLU 128 2HG GLU 128 9.889 10.600 -18.790 986 2HG GLU 128 1HG GLU 128 11.384 9.667 -18.719 987 H LYS 129 H LYS 129 9.621 9.030 -20.137 988 HA LYS 129 HA LYS 129 11.504 6.932 -20.313 989 1HB LYS 129 2HB LYS 129 8.501 6.929 -19.979 990 2HB LYS 129 1HB LYS 129 9.481 5.463 -19.917 991 1HG LYS 129 2HG LYS 129 10.753 6.325 -18.038 992 2HG LYS 129 1HG LYS 129 9.943 7.887 -18.157 993 1HD LYS 129 2HD LYS 129 8.960 6.504 -16.357 994 2HD LYS 129 1HD LYS 129 7.786 6.824 -17.634 995 1HE LYS 129 2HE LYS 129 8.043 4.380 -16.732 996 2HE LYS 129 1HE LYS 129 7.903 4.642 -18.471 997 1HZ LYS 129 1HZ LYS 129 10.087 4.174 -18.817 998 2HZ LYS 129 2HZ LYS 129 9.820 3.189 -17.459 999 3HZ LYS 129 3HZ LYS 129 10.575 4.701 -17.281 1000 H ASP 130 H ASP 130 9.018 8.088 -22.505 1001 HA ASP 130 HA ASP 130 9.070 5.833 -24.261 1002 1HB ASP 130 2HB ASP 130 8.150 8.686 -24.663 1003 2HB ASP 130 1HB ASP 130 7.931 7.404 -25.853 1004 H LYS 131 H LYS 131 10.112 5.586 -26.238 1005 HA LYS 131 HA LYS 131 12.174 7.568 -26.939 1006 1HB LYS 131 2HB LYS 131 12.650 4.596 -26.609 1007 2HB LYS 131 1HB LYS 131 13.807 5.735 -27.299 1008 1HG LYS 131 2HG LYS 131 13.723 7.040 -25.166 1009 2HG LYS 131 1HG LYS 131 12.683 5.789 -24.483 1010 1HD LYS 131 2HD LYS 131 14.475 4.107 -24.970 1011 2HD LYS 131 1HD LYS 131 15.521 5.430 -25.486 1012 1HE LYS 131 2HE LYS 131 14.259 5.182 -22.740 1013 2HE LYS 131 1HE LYS 131 15.937 4.796 -23.122 1014 1HZ LYS 131 1HZ LYS 131 16.495 6.948 -23.229 1015 2HZ LYS 131 2HZ LYS 131 15.088 7.202 -22.312 1016 3HZ LYS 131 3HZ LYS 131 15.055 7.406 -23.999 Start of MODEL 21 1 H MET 1 1H MET 1 -3.684 -4.123 17.363 2 HA MET 1 HA MET 1 -3.474 -3.322 14.977 3 1HB MET 1 2HB MET 1 -0.677 -4.393 15.458 4 2HB MET 1 1HB MET 1 -1.335 -3.867 13.909 5 1HG MET 1 2HG MET 1 -1.046 -2.096 16.354 6 2HG MET 1 1HG MET 1 0.063 -2.108 14.983 7 1HE MET 1 1HE MET 1 -2.613 -0.100 16.490 8 2HE MET 1 2HE MET 1 -2.465 1.090 15.201 9 3HE MET 1 3HE MET 1 -1.014 0.404 15.925 10 H GLY 2 H GLY 2 -4.827 -5.204 16.345 11 1HA GLY 2 2HA GLY 2 -5.746 -7.300 16.104 12 2HA GLY 2 1HA GLY 2 -4.856 -7.424 14.589 13 H CYS 3 H CYS 3 -3.455 -9.051 14.513 14 HA CYS 3 HA CYS 3 -1.904 -10.628 15.134 15 1HB CYS 3 2HB CYS 3 -1.452 -9.106 17.690 16 2HB CYS 3 1HB CYS 3 -0.299 -10.050 16.746 17 HG CYS 3 HG CYS 3 0.079 -8.109 15.218 18 H GLY 4 H GLY 4 -4.765 -10.167 16.558 19 1HA GLY 4 2HA GLY 4 -4.696 -11.648 18.953 20 2HA GLY 4 1HA GLY 4 -6.117 -11.419 17.936 21 H ALA 5 H ALA 5 -4.907 -13.803 19.404 22 HA ALA 5 HA ALA 5 -4.481 -16.047 19.037 23 1HB ALA 5 1HB ALA 5 -6.150 -17.114 17.587 24 2HB ALA 5 2HB ALA 5 -6.571 -15.544 16.905 25 3HB ALA 5 3HB ALA 5 -6.901 -15.884 18.604 26 H SER 6 H SER 6 -5.246 -16.814 16.020 27 HA SER 6 HA SER 6 -2.608 -17.309 15.172 28 1HB SER 6 2HB SER 6 -5.135 -17.149 13.514 29 2HB SER 6 1HB SER 6 -3.619 -17.888 13.006 30 HG SER 6 HG SER 6 -5.533 -18.757 14.830 31 H SER 7 H SER 7 -1.412 -16.388 13.433 32 HA SER 7 HA SER 7 -2.231 -13.858 12.293 33 1HB SER 7 2HB SER 7 -0.418 -12.535 13.225 34 2HB SER 7 1HB SER 7 -1.389 -13.193 14.539 35 HG SER 7 HG SER 7 0.176 -14.650 14.973 36 H GLU 8 H GLU 8 -0.092 -16.546 12.592 37 HA GLU 8 HA GLU 8 1.647 -17.325 11.281 38 1HB GLU 8 2HB GLU 8 -0.239 -16.228 9.181 39 2HB GLU 8 1HB GLU 8 1.074 -17.365 8.870 40 1HG GLU 8 2HG GLU 8 0.036 -18.956 10.479 41 2HG GLU 8 1HG GLU 8 -1.307 -17.834 10.689 42 H ASN 9 H ASN 9 1.244 -15.303 8.611 43 HA ASN 9 HA ASN 9 3.326 -13.426 9.520 44 1HB ASN 9 2HB ASN 9 4.478 -13.712 7.330 45 2HB ASN 9 1HB ASN 9 4.515 -15.168 8.323 46 1HD2 ASN 9 1HD2 ASN 9 4.351 -16.887 6.859 47 2HD2 ASN 9 2HD2 ASN 9 3.179 -16.999 5.637 48 H SER 10 H SER 10 3.182 -11.384 8.671 49 HA SER 10 HA SER 10 0.685 -10.505 7.696 50 1HB SER 10 2HB SER 10 2.353 -9.092 8.925 51 2HB SER 10 1HB SER 10 3.337 -9.065 7.463 52 HG SER 10 HG SER 10 2.067 -7.296 7.311 53 H SER 11 H SER 11 3.667 -11.428 6.082 54 HA SER 11 HA SER 11 4.227 -11.611 3.856 55 1HB SER 11 2HB SER 11 1.299 -12.342 3.849 56 2HB SER 11 1HB SER 11 2.312 -12.468 2.413 57 HG SER 11 HG SER 11 3.760 -13.649 4.051 58 H VAL 12 H VAL 12 3.375 -10.935 1.521 59 HA VAL 12 HA VAL 12 2.140 -8.268 1.637 60 HB VAL 12 HB VAL 12 4.689 -8.788 0.101 61 1HG1 VAL 12 1HG1 VAL 12 3.187 -6.269 0.877 62 2HG1 VAL 12 2HG1 VAL 12 3.264 -6.971 -0.739 63 3HG1 VAL 12 3HG1 VAL 12 4.719 -6.309 0.005 64 1HG2 VAL 12 1HG2 VAL 12 5.157 -8.985 2.503 65 2HG2 VAL 12 2HG2 VAL 12 4.294 -7.478 2.811 66 3HG2 VAL 12 3HG2 VAL 12 5.798 -7.461 1.890 67 H THR 13 H THR 13 0.867 -7.806 -0.090 68 HA THR 13 HA THR 13 0.945 -9.662 -2.388 69 HB THR 13 HB THR 13 -1.636 -8.559 -1.298 70 HG1 THR 13 1HG THR 13 -0.425 -11.043 -0.667 71 1HG2 THR 13 1HG2 THR 13 -1.387 -9.567 -3.633 72 2HG2 THR 13 2HG2 THR 13 -2.623 -10.292 -2.605 73 3HG2 THR 13 3HG2 THR 13 -1.073 -11.104 -2.827 74 H TYR 14 H TYR 14 0.851 -8.717 -4.345 75 HA TYR 14 HA TYR 14 0.330 -5.805 -4.426 76 1HB TYR 14 2HB TYR 14 2.101 -7.468 -6.236 77 2HB TYR 14 1HB TYR 14 1.838 -5.728 -6.366 78 HD1 TYR 14 1HD TYR 14 4.017 -8.154 -5.110 79 HD2 TYR 14 2HD TYR 14 2.160 -4.440 -4.008 80 HE1 TYR 14 1HE TYR 14 5.806 -7.756 -3.439 81 HE2 TYR 14 2HE TYR 14 3.949 -4.043 -2.336 82 HH TYR 14 HH TYR 14 6.435 -4.836 -2.084 83 H VAL 15 H VAL 15 -0.340 -5.090 -6.708 84 HA VAL 15 HA VAL 15 -2.074 -7.076 -8.013 85 HB VAL 15 HB VAL 15 -3.801 -6.130 -6.859 86 1HG1 VAL 15 1HG1 VAL 15 -1.989 -3.724 -6.629 87 2HG1 VAL 15 2HG1 VAL 15 -2.582 -4.774 -5.341 88 3HG1 VAL 15 3HG1 VAL 15 -3.683 -3.655 -6.144 89 1HG2 VAL 15 1HG2 VAL 15 -3.912 -5.421 -9.330 90 2HG2 VAL 15 2HG2 VAL 15 -3.407 -3.825 -8.777 91 3HG2 VAL 15 3HG2 VAL 15 -4.924 -4.517 -8.203 92 H ASN 16 H ASN 16 -1.181 -3.619 -8.155 93 HA ASN 16 HA ASN 16 -1.477 -3.399 -10.958 94 1HB ASN 16 2HB ASN 16 0.045 -1.754 -8.936 95 2HB ASN 16 1HB ASN 16 -0.043 -1.324 -10.643 96 1HD2 ASN 16 1HD2 ASN 16 -1.579 -0.826 -7.685 97 2HD2 ASN 16 2HD2 ASN 16 -3.097 -0.338 -8.265 98 H GLY 17 H GLY 17 1.148 -4.482 -8.932 99 1HA GLY 17 2HA GLY 17 2.528 -5.913 -10.816 100 2HA GLY 17 1HA GLY 17 3.190 -4.286 -10.947 101 H ARG 18 H ARG 18 4.910 -6.226 -10.230 102 HA ARG 18 HA ARG 18 5.096 -6.305 -7.312 103 1HB ARG 18 2HB ARG 18 7.108 -7.460 -9.229 104 2HB ARG 18 1HB ARG 18 6.720 -7.981 -7.589 105 1HG ARG 18 2HG ARG 18 4.695 -8.089 -9.831 106 2HG ARG 18 1HG ARG 18 5.787 -9.430 -9.485 107 1HD ARG 18 2HD ARG 18 3.828 -8.188 -7.535 108 2HD ARG 18 1HD ARG 18 3.646 -9.752 -8.325 109 HE ARG 18 HE ARG 18 6.084 -9.431 -6.768 110 1HH1 ARG 18 1HH2 ARG 18 2.775 -10.436 -6.888 111 2HH1 ARG 18 2HH2 ARG 18 2.908 -11.512 -5.538 112 1HH2 ARG 18 1HH1 ARG 18 6.267 -10.841 -4.995 113 2HH2 ARG 18 2HH1 ARG 18 4.885 -11.742 -4.466 114 HA PRO 19 HA PRO 19 7.983 -2.980 -7.102 115 1HB PRO 19 2HB PRO 19 9.286 -3.634 -4.799 116 2HB PRO 19 1HB PRO 19 7.624 -3.016 -4.826 117 1HG PRO 19 2HG PRO 19 8.600 -5.809 -4.513 118 2HG PRO 19 1HG PRO 19 7.259 -4.983 -3.705 119 1HD PRO 19 2HD PRO 19 6.907 -6.734 -5.791 120 2HD PRO 19 1HD PRO 19 5.782 -5.409 -5.428 121 H THR 20 H THR 20 9.962 -2.539 -7.943 122 HA THR 20 HA THR 20 11.600 -4.686 -8.917 123 HB THR 20 HB THR 20 12.971 -2.943 -9.882 124 HG1 THR 20 1HG THR 20 13.212 -1.220 -8.735 125 1HG2 THR 20 1HG2 THR 20 10.122 -1.939 -9.962 126 2HG2 THR 20 2HG2 THR 20 10.631 -3.412 -10.788 127 3HG2 THR 20 3HG2 THR 20 11.336 -1.859 -11.240 128 H PHE 21 H PHE 21 11.396 -3.063 -5.964 129 HA PHE 21 HA PHE 21 14.118 -3.961 -5.233 130 1HB PHE 21 2HB PHE 21 13.900 -1.470 -5.321 131 2HB PHE 21 1HB PHE 21 12.654 -1.576 -4.078 132 HD1 PHE 21 1HD PHE 21 13.209 -1.949 -1.781 133 HD2 PHE 21 2HD PHE 21 16.232 -2.254 -4.817 134 HE1 PHE 21 1HE PHE 21 14.960 -2.033 -0.028 135 HE2 PHE 21 2HE PHE 21 17.984 -2.339 -3.064 136 HZ PHE 21 HZ PHE 21 17.348 -2.228 -0.670 137 H VAL 22 H VAL 22 14.209 -5.373 -3.600 138 HA VAL 22 HA VAL 22 11.939 -5.526 -1.721 139 HB VAL 22 HB VAL 22 13.276 -8.032 -2.688 140 1HG1 VAL 22 1HG1 VAL 22 10.446 -7.452 -1.771 141 2HG1 VAL 22 2HG1 VAL 22 11.741 -7.960 -0.686 142 3HG1 VAL 22 3HG1 VAL 22 11.195 -9.036 -1.973 143 1HG2 VAL 22 1HG2 VAL 22 11.353 -8.210 -4.334 144 2HG2 VAL 22 2HG2 VAL 22 12.571 -7.005 -4.754 145 3HG2 VAL 22 3HG2 VAL 22 11.039 -6.500 -4.043 146 H GLY 23 H GLY 23 12.596 -5.468 0.328 147 1HA GLY 23 2HA GLY 23 15.439 -6.014 0.907 148 2HA GLY 23 1HA GLY 23 14.387 -4.983 1.870 149 H GLU 24 H GLU 24 13.410 -5.841 3.609 150 HA GLU 24 HA GLU 24 13.012 -8.744 3.763 151 1HB GLU 24 2HB GLU 24 15.244 -8.221 4.774 152 2HB GLU 24 1HB GLU 24 14.419 -7.195 5.947 153 1HG GLU 24 2HG GLU 24 13.057 -9.143 6.663 154 2HG GLU 24 1HG GLU 24 13.949 -10.161 5.534 155 H GLU 25 H GLU 25 12.761 -5.763 5.718 156 HA GLU 25 HA GLU 25 10.218 -6.689 6.818 157 1HB GLU 25 2HB GLU 25 11.969 -5.594 8.250 158 2HB GLU 25 1HB GLU 25 11.678 -4.097 7.364 159 1HG GLU 25 2HG GLU 25 9.280 -4.209 8.012 160 2HG GLU 25 1HG GLU 25 9.623 -5.656 8.957 161 H VAL 26 H VAL 26 8.346 -6.212 5.883 162 HA VAL 26 HA VAL 26 8.173 -3.750 4.249 163 HB VAL 26 HB VAL 26 6.553 -6.243 3.742 164 1HG1 VAL 26 1HG1 VAL 26 7.315 -3.850 2.039 165 2HG1 VAL 26 2HG1 VAL 26 5.741 -4.117 2.788 166 3HG1 VAL 26 3HG1 VAL 26 6.307 -5.199 1.516 167 1HG2 VAL 26 1HG2 VAL 26 9.259 -5.444 2.627 168 2HG2 VAL 26 2HG2 VAL 26 8.215 -6.653 1.880 169 3HG2 VAL 26 3HG2 VAL 26 8.861 -6.926 3.498 170 H THR 27 H THR 27 6.406 -2.462 4.536 171 HA THR 27 HA THR 27 4.302 -3.384 6.382 172 HB THR 27 HB THR 27 4.533 -1.601 7.831 173 HG1 THR 27 1HG THR 27 4.622 0.267 6.913 174 1HG2 THR 27 1HG2 THR 27 6.628 -3.032 7.771 175 2HG2 THR 27 2HG2 THR 27 6.847 -1.414 8.440 176 3HG2 THR 27 3HG2 THR 27 7.370 -1.765 6.792 177 H LYS 28 H LYS 28 2.473 -1.686 6.420 178 HA LYS 28 HA LYS 28 2.109 -0.562 3.709 179 1HB LYS 28 2HB LYS 28 -0.394 -1.145 4.175 180 2HB LYS 28 1HB LYS 28 0.696 -2.416 3.621 181 1HG LYS 28 2HG LYS 28 0.968 -3.276 5.841 182 2HG LYS 28 1HG LYS 28 0.169 -1.871 6.550 183 1HD LYS 28 2HD LYS 28 -1.389 -3.757 6.494 184 2HD LYS 28 1HD LYS 28 -1.930 -2.508 5.373 185 1HE LYS 28 2HE LYS 28 -0.137 -4.715 4.398 186 2HE LYS 28 1HE LYS 28 -1.869 -5.000 4.568 187 1HZ LYS 28 1HZ LYS 28 -0.475 -3.523 2.575 188 2HZ LYS 28 2HZ LYS 28 -1.659 -2.563 3.325 189 3HZ LYS 28 3HZ LYS 28 -2.090 -4.037 2.597 190 H GLY 29 H GLY 29 2.484 1.556 4.258 191 1HA GLY 29 2HA GLY 29 1.952 3.022 6.450 192 2HA GLY 29 1HA GLY 29 1.689 3.668 4.833 193 H PHE 30 H PHE 30 -0.463 2.986 3.825 194 HA PHE 30 HA PHE 30 -2.572 3.644 5.705 195 1HB PHE 30 2HB PHE 30 -2.514 3.206 2.718 196 2HB PHE 30 1HB PHE 30 -4.002 3.523 3.609 197 HD1 PHE 30 1HD PHE 30 -1.363 5.034 1.843 198 HD2 PHE 30 2HD PHE 30 -3.832 5.579 5.316 199 HE1 PHE 30 1HE PHE 30 -0.864 7.463 1.816 200 HE2 PHE 30 2HE PHE 30 -3.333 8.009 5.289 201 HZ PHE 30 HZ PHE 30 -1.849 8.950 3.540 202 H GLU 31 H GLU 31 -3.935 2.254 6.637 203 HA GLU 31 HA GLU 31 -3.612 -0.586 6.173 204 1HB GLU 31 2HB GLU 31 -5.367 -0.750 7.984 205 2HB GLU 31 1HB GLU 31 -3.894 0.100 8.452 206 1HG GLU 31 2HG GLU 31 -6.214 1.636 7.316 207 2HG GLU 31 1HG GLU 31 -6.215 1.173 9.017 208 H LYS 32 H LYS 32 -5.385 1.808 4.702 209 HA LYS 32 HA LYS 32 -7.766 0.192 4.203 210 1HB LYS 32 2HB LYS 32 -7.695 2.766 4.547 211 2HB LYS 32 1HB LYS 32 -7.149 2.816 2.871 212 1HG LYS 32 2HG LYS 32 -9.448 2.938 2.567 213 2HG LYS 32 1HG LYS 32 -9.206 1.193 2.490 214 1HD LYS 32 2HD LYS 32 -10.925 1.297 4.043 215 2HD LYS 32 1HD LYS 32 -9.527 1.366 5.118 216 1HE LYS 32 2HE LYS 32 -9.673 3.923 4.866 217 2HE LYS 32 1HE LYS 32 -11.275 3.645 4.182 218 1HZ LYS 32 1HZ LYS 32 -11.508 4.006 6.508 219 2HZ LYS 32 2HZ LYS 32 -10.314 2.855 6.876 220 3HZ LYS 32 3HZ LYS 32 -11.803 2.361 6.218 221 H ASP 33 H ASP 33 -8.443 -0.387 2.072 222 HA ASP 33 HA ASP 33 -8.127 -1.317 -0.004 223 1HB ASP 33 2HB ASP 33 -5.946 0.775 -0.198 224 2HB ASP 33 1HB ASP 33 -6.650 -0.113 -1.549 225 H ASN 34 H ASN 34 -5.708 -1.621 -1.478 226 HA ASN 34 HA ASN 34 -4.620 -3.908 -0.076 227 1HB ASN 34 2HB ASN 34 -3.858 -2.737 -2.762 228 2HB ASN 34 1HB ASN 34 -3.399 -4.325 -2.147 229 1HD2 ASN 34 1HD2 ASN 34 -5.844 -5.197 -1.031 230 2HD2 ASN 34 2HD2 ASN 34 -6.998 -5.345 -2.268 231 H GLY 35 H GLY 35 -4.062 -1.524 1.287 232 1HA GLY 35 2HA GLY 35 -2.257 -0.671 2.457 233 2HA GLY 35 1HA GLY 35 -1.204 -1.733 1.528 234 H LEU 36 H LEU 36 -2.179 -0.757 -1.052 235 HA LEU 36 HA LEU 36 -1.657 0.844 -2.613 236 1HB LEU 36 2HB LEU 36 -1.680 2.824 -0.332 237 2HB LEU 36 1HB LEU 36 -2.002 3.133 -2.038 238 HG LEU 36 HG LEU 36 -3.699 1.416 -0.201 239 1HD1 LEU 36 1HD1 LEU 36 -3.794 3.929 0.124 240 2HD1 LEU 36 2HD1 LEU 36 -5.326 3.186 -0.333 241 3HD1 LEU 36 3HD1 LEU 36 -4.372 4.051 -1.538 242 1HD2 LEU 36 1HD2 LEU 36 -3.790 2.044 -3.150 243 2HD2 LEU 36 2HD2 LEU 36 -5.264 1.636 -2.271 244 3HD2 LEU 36 3HD2 LEU 36 -3.937 0.477 -2.352 245 H LEU 37 H LEU 37 -0.037 2.289 0.204 246 HA LEU 37 HA LEU 37 2.484 2.240 -1.312 247 1HB LEU 37 2HB LEU 37 1.719 4.416 -0.417 248 2HB LEU 37 1HB LEU 37 1.768 3.747 1.215 249 HG LEU 37 HG LEU 37 4.197 3.234 0.875 250 1HD1 LEU 37 1HD1 LEU 37 3.544 4.470 -1.775 251 2HD1 LEU 37 2HD1 LEU 37 4.591 3.099 -1.409 252 3HD1 LEU 37 3HD1 LEU 37 5.144 4.743 -1.090 253 1HD2 LEU 37 1HD2 LEU 37 3.439 6.141 0.434 254 2HD2 LEU 37 2HD2 LEU 37 4.950 5.555 1.130 255 3HD2 LEU 37 3HD2 LEU 37 3.431 5.322 1.996 256 H PHE 38 H PHE 38 4.098 0.914 -0.777 257 HA PHE 38 HA PHE 38 3.927 -0.511 1.808 258 1HB PHE 38 2HB PHE 38 5.095 -1.361 -0.849 259 2HB PHE 38 1HB PHE 38 5.340 -2.252 0.653 260 HD1 PHE 38 1HD PHE 38 3.395 -3.248 1.855 261 HD2 PHE 38 2HD PHE 38 2.991 -1.416 -2.009 262 HE1 PHE 38 1HE PHE 38 1.193 -4.350 1.562 263 HE2 PHE 38 2HE PHE 38 0.789 -2.519 -2.302 264 HZ PHE 38 HZ PHE 38 -0.110 -3.986 -0.517 265 H ARG 39 H ARG 39 5.631 -0.450 3.180 266 HA ARG 39 HA ARG 39 7.882 1.285 2.427 267 1HB ARG 39 2HB ARG 39 6.549 1.755 4.513 268 2HB ARG 39 1HB ARG 39 7.170 0.242 5.174 269 1HG ARG 39 2HG ARG 39 9.477 1.051 4.895 270 2HG ARG 39 1HG ARG 39 8.871 2.561 4.211 271 1HD ARG 39 2HD ARG 39 9.338 2.978 6.533 272 2HD ARG 39 1HD ARG 39 7.586 2.914 6.357 273 HE ARG 39 HE ARG 39 8.467 0.330 6.990 274 1HH1 ARG 39 1HH2 ARG 39 8.364 3.508 8.351 275 2HH1 ARG 39 2HH2 ARG 39 8.263 2.954 9.989 276 1HH2 ARG 39 1HH1 ARG 39 8.336 -0.406 9.134 277 2HH2 ARG 39 2HH1 ARG 39 8.248 0.738 10.433 278 H ILE 40 H ILE 40 9.373 0.056 1.394 279 HA ILE 40 HA ILE 40 10.056 -2.590 2.444 280 HB ILE 40 HB ILE 40 11.285 -1.200 0.064 281 1HG1 ILE 40 2HG1 ILE 40 8.775 -2.903 0.200 282 2HG1 ILE 40 1HG1 ILE 40 8.846 -1.191 -0.223 283 1HG2 ILE 40 1HG2 ILE 40 12.330 -3.287 1.049 284 2HG2 ILE 40 2HG2 ILE 40 11.825 -3.443 -0.634 285 3HG2 ILE 40 3HG2 ILE 40 10.837 -4.137 0.652 286 1HD1 ILE 40 1HD1 ILE 40 10.550 -2.004 -2.052 287 2HD1 ILE 40 2HD1 ILE 40 8.819 -2.188 -2.332 288 3HD1 ILE 40 3HD1 ILE 40 9.778 -3.570 -1.802 289 H VAL 41 H VAL 41 11.810 -2.991 3.649 290 HA VAL 41 HA VAL 41 13.928 -0.938 3.786 291 HB VAL 41 HB VAL 41 12.749 -2.428 6.143 292 1HG1 VAL 41 1HG1 VAL 41 15.052 -2.052 6.593 293 2HG1 VAL 41 2HG1 VAL 41 14.216 -0.708 7.371 294 3HG1 VAL 41 3HG1 VAL 41 15.024 -0.466 5.822 295 1HG2 VAL 41 1HG2 VAL 41 11.816 -0.307 6.809 296 2HG2 VAL 41 2HG2 VAL 41 11.338 -0.574 5.131 297 3HG2 VAL 41 3HG2 VAL 41 12.658 0.534 5.507 298 H ASN 42 H ASN 42 15.900 -1.741 3.458 299 HA ASN 42 HA ASN 42 16.266 -4.665 3.642 300 1HB ASN 42 2HB ASN 42 16.662 -3.303 1.449 301 2HB ASN 42 1HB ASN 42 18.166 -2.822 2.230 302 1HD2 ASN 42 1HD2 ASN 42 17.169 -4.969 0.015 303 2HD2 ASN 42 2HD2 ASN 42 18.163 -6.294 0.385 304 H LYS 43 H LYS 43 17.046 -5.139 5.615 305 HA LYS 43 HA LYS 43 18.517 -3.453 7.290 306 1HB LYS 43 2HB LYS 43 18.465 -6.476 7.160 307 2HB LYS 43 1HB LYS 43 19.154 -5.542 8.488 308 1HG LYS 43 2HG LYS 43 16.926 -4.427 8.784 309 2HG LYS 43 1HG LYS 43 16.268 -5.519 7.565 310 1HD LYS 43 2HD LYS 43 17.030 -7.453 8.969 311 2HD LYS 43 1HD LYS 43 17.502 -6.302 10.220 312 1HE LYS 43 2HE LYS 43 15.188 -5.479 10.358 313 2HE LYS 43 1HE LYS 43 14.705 -6.599 9.084 314 1HZ LYS 43 1HZ LYS 43 15.578 -7.202 11.838 315 2HZ LYS 43 2HZ LYS 43 15.676 -8.379 10.616 316 3HZ LYS 43 3HZ LYS 43 14.173 -7.707 11.034 317 H LYS 44 H LYS 44 19.528 -5.462 4.629 318 HA LYS 44 HA LYS 44 22.224 -5.835 5.145 319 1HB LYS 44 2HB LYS 44 20.934 -6.703 3.162 320 2HB LYS 44 1HB LYS 44 21.082 -5.097 2.445 321 1HG LYS 44 2HG LYS 44 23.441 -5.253 2.301 322 2HG LYS 44 1HG LYS 44 23.503 -6.612 3.424 323 1HD LYS 44 2HD LYS 44 23.829 -7.479 1.187 324 2HD LYS 44 1HD LYS 44 22.227 -7.973 1.735 325 1HE LYS 44 2HE LYS 44 22.248 -7.076 -0.611 326 2HE LYS 44 1HE LYS 44 21.179 -6.187 0.474 327 1HZ LYS 44 1HZ LYS 44 23.790 -5.113 0.579 328 2HZ LYS 44 2HZ LYS 44 22.339 -4.351 0.131 329 3HZ LYS 44 3HZ LYS 44 23.266 -5.173 -1.033 330 H LYS 45 H LYS 45 20.877 -3.162 3.191 331 HA LYS 45 HA LYS 45 23.250 -1.558 3.907 332 1HB LYS 45 2HB LYS 45 21.268 -1.133 1.658 333 2HB LYS 45 1HB LYS 45 22.756 -0.224 1.932 334 1HG LYS 45 2HG LYS 45 22.667 -3.218 1.467 335 2HG LYS 45 1HG LYS 45 22.984 -2.033 0.199 336 1HD LYS 45 2HD LYS 45 24.841 -1.154 1.795 337 2HD LYS 45 1HD LYS 45 24.672 -2.716 2.599 338 1HE LYS 45 2HE LYS 45 25.011 -3.823 0.364 339 2HE LYS 45 1HE LYS 45 25.370 -2.234 -0.310 340 1HZ LYS 45 1HZ LYS 45 27.072 -3.957 1.115 341 2HZ LYS 45 2HZ LYS 45 26.883 -2.524 2.009 342 3HZ LYS 45 3HZ LYS 45 27.437 -2.461 0.404 343 H LYS 46 H LYS 46 20.175 -2.023 4.918 344 HA LYS 46 HA LYS 46 18.655 -0.783 6.112 345 1HB LYS 46 2HB LYS 46 21.285 0.166 6.816 346 2HB LYS 46 1HB LYS 46 20.124 1.492 6.881 347 1HG LYS 46 2HG LYS 46 19.643 -1.209 8.166 348 2HG LYS 46 1HG LYS 46 20.320 0.173 9.029 349 1HD LYS 46 2HD LYS 46 18.227 1.446 8.098 350 2HD LYS 46 1HD LYS 46 17.559 -0.174 7.894 351 1HE LYS 46 2HE LYS 46 18.611 1.017 10.477 352 2HE LYS 46 1HE LYS 46 16.921 0.697 10.087 353 1HZ LYS 46 1HZ LYS 46 18.633 -1.584 9.736 354 2HZ LYS 46 2HZ LYS 46 17.149 -1.456 10.552 355 3HZ LYS 46 3HZ LYS 46 18.593 -1.024 11.336 356 H GLN 47 H GLN 47 18.913 -0.284 3.248 357 HA GLN 47 HA GLN 47 18.371 2.592 3.020 358 1HB GLN 47 2HB GLN 47 18.414 2.178 0.587 359 2HB GLN 47 1HB GLN 47 19.891 1.611 1.367 360 1HG GLN 47 2HG GLN 47 18.736 -0.678 1.521 361 2HG GLN 47 1HG GLN 47 17.554 -0.031 0.385 362 1HE2 GLN 47 1HE2 GLN 47 21.070 0.664 0.420 363 2HE2 GLN 47 2HE2 GLN 47 21.375 -0.019 -1.104 364 H TRP 48 H TRP 48 16.363 3.371 2.915 365 HA TRP 48 HA TRP 48 14.117 1.520 2.927 366 1HB TRP 48 2HB TRP 48 14.367 4.502 3.312 367 2HB TRP 48 1HB TRP 48 12.805 3.689 3.219 368 HD1 TRP 48 HD TRP 48 15.501 1.645 4.799 369 HE1 TRP 48 1HE TRP 48 15.136 1.526 7.348 370 HE3 TRP 48 3HE TRP 48 11.879 5.205 5.339 371 HZ2 TRP 48 2HZ TRP 48 13.523 2.777 9.353 372 HZ3 TRP 48 3HZ TRP 48 10.947 5.720 7.576 373 HH2 TRP 48 HH TRP 48 11.764 4.513 9.582 374 H ALA 49 H ALA 49 12.543 1.366 1.372 375 HA ALA 49 HA ALA 49 12.790 3.032 -1.039 376 1HB ALA 49 1HB ALA 49 13.208 1.316 -2.470 377 2HB ALA 49 2HB ALA 49 12.245 0.168 -1.539 378 3HB ALA 49 3HB ALA 49 13.891 0.552 -1.035 379 H TYR 50 H TYR 50 10.863 3.288 -2.192 380 HA TYR 50 HA TYR 50 8.456 2.154 -0.900 381 1HB TYR 50 2HB TYR 50 8.980 4.954 -1.885 382 2HB TYR 50 1HB TYR 50 7.344 4.334 -1.660 383 HD1 TYR 50 1HD TYR 50 10.187 5.804 -0.054 384 HD2 TYR 50 2HD TYR 50 6.780 3.282 0.638 385 HE1 TYR 50 1HE TYR 50 10.351 6.250 2.381 386 HE2 TYR 50 2HE TYR 50 6.944 3.728 3.072 387 HH TYR 50 HH TYR 50 8.252 6.064 4.427 388 H TYR 51 H TYR 51 6.966 1.256 -2.210 389 HA TYR 51 HA TYR 51 7.394 1.497 -5.129 390 1HB TYR 51 2HB TYR 51 7.909 -0.743 -4.566 391 2HB TYR 51 1HB TYR 51 6.557 -0.857 -3.439 392 HD1 TYR 51 1HD TYR 51 4.392 -1.498 -4.174 393 HD2 TYR 51 2HD TYR 51 7.426 -0.499 -7.045 394 HE1 TYR 51 1HE TYR 51 2.935 -2.327 -6.001 395 HE2 TYR 51 2HE TYR 51 5.968 -1.327 -8.873 396 HH TYR 51 HH TYR 51 2.636 -2.160 -8.331 397 H ASN 52 H ASN 52 5.800 2.504 -6.161 398 HA ASN 52 HA ASN 52 3.226 2.882 -4.828 399 1HB ASN 52 2HB ASN 52 4.289 4.841 -5.825 400 2HB ASN 52 1HB ASN 52 4.335 4.041 -7.394 401 1HD2 ASN 52 1HD2 ASN 52 2.981 6.336 -7.566 402 2HD2 ASN 52 2HD2 ASN 52 1.299 6.109 -7.524 403 H ASP 53 H ASP 53 1.364 1.934 -5.432 404 HA ASP 53 HA ASP 53 1.480 0.065 -7.717 405 1HB ASP 53 2HB ASP 53 -0.244 -1.214 -6.607 406 2HB ASP 53 1HB ASP 53 1.057 -0.916 -5.455 407 H THR 54 H THR 54 -0.450 2.572 -6.149 408 HA THR 54 HA THR 54 -2.707 2.496 -7.813 409 HB THR 54 HB THR 54 -2.860 4.986 -7.186 410 HG1 THR 54 1HG THR 54 -1.092 5.764 -6.405 411 1HG2 THR 54 1HG2 THR 54 -3.398 4.424 -4.835 412 2HG2 THR 54 2HG2 THR 54 -2.564 2.881 -5.026 413 3HG2 THR 54 3HG2 THR 54 -4.026 3.214 -5.955 414 H THR 55 H THR 55 -2.845 2.771 -9.937 415 HA THR 55 HA THR 55 -0.699 4.110 -11.388 416 HB THR 55 HB THR 55 -1.934 3.329 -13.399 417 HG1 THR 55 1HG THR 55 -3.655 1.732 -12.716 418 1HG2 THR 55 1HG2 THR 55 -1.388 1.025 -13.123 419 2HG2 THR 55 2HG2 THR 55 -1.669 1.093 -11.383 420 3HG2 THR 55 3HG2 THR 55 -0.269 1.906 -12.083 421 H GLN 56 H GLN 56 -3.624 4.970 -9.969 422 HA GLN 56 HA GLN 56 -4.227 7.081 -11.911 423 1HB GLN 56 2HB GLN 56 -6.099 5.770 -10.988 424 2HB GLN 56 1HB GLN 56 -5.656 6.289 -9.361 425 1HG GLN 56 2HG GLN 56 -6.074 8.615 -9.936 426 2HG GLN 56 1HG GLN 56 -6.379 8.179 -11.617 427 1HE2 GLN 56 1HE2 GLN 56 -8.433 9.515 -10.346 428 2HE2 GLN 56 2HE2 GLN 56 -9.700 8.447 -9.976 429 H TYR 57 H TYR 57 -3.353 6.700 -8.485 430 HA TYR 57 HA TYR 57 -2.654 9.573 -8.427 431 1HB TYR 57 2HB TYR 57 -2.989 8.000 -5.914 432 2HB TYR 57 1HB TYR 57 -3.342 9.698 -6.234 433 HD1 TYR 57 1HD TYR 57 -4.622 6.280 -6.333 434 HD2 TYR 57 2HD TYR 57 -5.390 10.343 -7.495 435 HE1 TYR 57 1HE TYR 57 -6.998 5.710 -6.756 436 HE2 TYR 57 2HE TYR 57 -7.767 9.773 -7.918 437 HH TYR 57 HH TYR 57 -9.019 6.508 -7.248 438 H GLU 58 H GLU 58 -0.708 10.197 -7.422 439 HA GLU 58 HA GLU 58 1.376 8.141 -7.504 440 1HB GLU 58 2HB GLU 58 2.765 10.362 -7.006 441 2HB GLU 58 1HB GLU 58 2.215 9.958 -8.633 442 1HG GLU 58 2HG GLU 58 0.239 11.363 -8.356 443 2HG GLU 58 1HG GLU 58 0.683 11.704 -6.685 444 H MET 59 H MET 59 2.821 7.785 -5.778 445 HA MET 59 HA MET 59 1.609 8.229 -3.151 446 1HB MET 59 2HB MET 59 3.725 6.386 -4.219 447 2HB MET 59 1HB MET 59 3.591 6.677 -2.485 448 1HG MET 59 2HG MET 59 2.235 4.705 -3.584 449 2HG MET 59 1HG MET 59 1.477 5.708 -2.347 450 1HE MET 59 1HE MET 59 -0.755 4.643 -3.309 451 2HE MET 59 2HE MET 59 -1.727 5.890 -4.087 452 3HE MET 59 3HE MET 59 -0.834 6.268 -2.617 453 H HIS 60 H HIS 60 2.228 9.885 -1.936 454 HA HIS 60 HA HIS 60 4.873 11.100 -2.414 455 1HB HIS 60 2HB HIS 60 2.384 12.179 -1.070 456 2HB HIS 60 1HB HIS 60 3.924 13.038 -1.141 457 HD1 HIS 60 1HD HIS 60 4.279 14.460 -3.163 458 HD2 HIS 60 2HD HIS 60 1.397 11.524 -3.837 459 HE1 HIS 60 1HE HIS 60 3.354 14.883 -5.483 460 HE2 HIS 60 2HE HIS 60 1.596 13.101 -5.908 461 H VAL 61 H VAL 61 6.437 10.908 -0.934 462 HA VAL 61 HA VAL 61 5.721 9.742 1.683 463 HB VAL 61 HB VAL 61 8.300 9.674 0.104 464 1HG1 VAL 61 1HG1 VAL 61 7.647 8.809 2.928 465 2HG1 VAL 61 2HG1 VAL 61 8.956 9.863 2.392 466 3HG1 VAL 61 3HG1 VAL 61 9.007 8.139 2.027 467 1HG2 VAL 61 1HG2 VAL 61 6.386 8.130 -0.526 468 2HG2 VAL 61 2HG2 VAL 61 6.521 7.424 1.084 469 3HG2 VAL 61 3HG2 VAL 61 7.869 7.307 -0.046 470 H LEU 62 H LEU 62 6.038 10.883 3.484 471 HA LEU 62 HA LEU 62 7.968 13.097 3.486 472 1HB LEU 62 2HB LEU 62 5.768 14.088 2.927 473 2HB LEU 62 1HB LEU 62 5.095 13.390 4.401 474 HG LEU 62 HG LEU 62 6.890 14.634 5.688 475 1HD1 LEU 62 1HD1 LEU 62 8.547 15.180 4.130 476 2HD1 LEU 62 2HD1 LEU 62 7.681 16.709 4.283 477 3HD1 LEU 62 3HD1 LEU 62 7.374 15.656 2.901 478 1HD2 LEU 62 1HD2 LEU 62 4.910 16.237 4.037 479 2HD2 LEU 62 2HD2 LEU 62 5.718 16.831 5.487 480 3HD2 LEU 62 3HD2 LEU 62 4.595 15.476 5.596 481 H VAL 63 H VAL 63 9.281 11.926 4.884 482 HA VAL 63 HA VAL 63 8.117 11.315 7.535 483 HB VAL 63 HB VAL 63 10.521 10.054 6.194 484 1HG1 VAL 63 1HG1 VAL 63 10.742 10.095 8.622 485 2HG1 VAL 63 2HG1 VAL 63 10.343 8.457 8.108 486 3HG1 VAL 63 3HG1 VAL 63 9.098 9.489 8.812 487 1HG2 VAL 63 1HG2 VAL 63 8.119 9.555 5.326 488 2HG2 VAL 63 2HG2 VAL 63 7.905 8.710 6.859 489 3HG2 VAL 63 3HG2 VAL 63 9.156 8.186 5.732 490 H THR 64 H THR 64 8.950 12.305 9.273 491 HA THR 64 HA THR 64 11.351 13.983 8.879 492 HB THR 64 HB THR 64 9.107 14.290 10.890 493 HG1 THR 64 1HG THR 64 8.637 16.117 9.594 494 1HG2 THR 64 1HG2 THR 64 11.602 15.897 10.305 495 2HG2 THR 64 2HG2 THR 64 11.133 15.155 11.834 496 3HG2 THR 64 3HG2 THR 64 10.236 16.542 11.216 497 H PHE 65 H PHE 65 13.096 13.685 10.162 498 HA PHE 65 HA PHE 65 12.856 11.676 12.322 499 1HB PHE 65 2HB PHE 65 15.447 12.213 10.917 500 2HB PHE 65 1HB PHE 65 14.896 10.746 11.726 501 HD1 PHE 65 1HD PHE 65 13.626 9.080 10.569 502 HD2 PHE 65 2HD PHE 65 14.462 12.856 8.699 503 HE1 PHE 65 1HE PHE 65 12.801 8.192 8.406 504 HE2 PHE 65 2HE PHE 65 13.637 11.968 6.536 505 HZ PHE 65 HZ PHE 65 12.806 9.636 6.389 506 H ASN 66 H ASN 66 14.263 11.950 14.148 507 HA ASN 66 HA ASN 66 14.531 14.720 14.928 508 1HB ASN 66 2HB ASN 66 13.797 12.823 16.452 509 2HB ASN 66 1HB ASN 66 15.478 12.293 16.454 510 1HD2 ASN 66 1HD2 ASN 66 16.637 13.112 18.194 511 2HD2 ASN 66 2HD2 ASN 66 16.338 14.600 18.953 512 H GLU 67 H GLU 67 16.525 15.616 15.795 513 HA GLU 67 HA GLU 67 18.655 15.616 14.045 514 1HB GLU 67 2HB GLU 67 18.602 17.375 15.604 515 2HB GLU 67 1HB GLU 67 18.471 16.276 16.977 516 1HG GLU 67 2HG GLU 67 20.734 15.661 16.864 517 2HG GLU 67 1HG GLU 67 20.893 16.194 15.192 518 H ASP 68 H ASP 68 18.181 13.595 16.916 519 HA ASP 68 HA ASP 68 20.736 12.277 16.619 520 1HB ASP 68 2HB ASP 68 19.633 12.601 18.830 521 2HB ASP 68 1HB ASP 68 18.360 11.493 18.321 522 H CYS 69 H CYS 69 20.176 11.777 14.277 523 HA CYS 69 HA CYS 69 19.324 9.000 14.156 524 1HB CYS 69 2HB CYS 69 17.963 11.034 12.380 525 2HB CYS 69 1HB CYS 69 17.617 9.308 12.501 526 HG CYS 69 HG CYS 69 15.937 10.814 13.994 527 H ASP 70 H ASP 70 20.986 8.097 13.130 528 HA ASP 70 HA ASP 70 22.633 9.584 11.280 529 1HB ASP 70 2HB ASP 70 23.428 7.773 12.902 530 2HB ASP 70 1HB ASP 70 22.733 6.610 11.775 531 H ILE 71 H ILE 71 20.893 10.080 9.749 532 HA ILE 71 HA ILE 71 20.353 7.812 7.926 533 HB ILE 71 HB ILE 71 18.271 8.958 7.295 534 1HG1 ILE 71 2HG1 ILE 71 19.079 10.921 9.466 535 2HG1 ILE 71 1HG1 ILE 71 19.007 11.267 7.738 536 1HG2 ILE 71 1HG2 ILE 71 18.358 7.325 9.213 537 2HG2 ILE 71 2HG2 ILE 71 17.042 8.494 9.328 538 3HG2 ILE 71 3HG2 ILE 71 18.494 8.701 10.306 539 1HD1 ILE 71 1HD1 ILE 71 16.547 10.529 7.862 540 2HD1 ILE 71 2HD1 ILE 71 16.949 12.079 8.602 541 3HD1 ILE 71 3HD1 ILE 71 16.720 10.653 9.613 542 H LYS 72 H LYS 72 20.247 8.332 5.658 543 HA LYS 72 HA LYS 72 21.512 10.879 4.891 544 1HB LYS 72 2HB LYS 72 23.119 8.806 5.084 545 2HB LYS 72 1HB LYS 72 22.389 8.351 3.544 546 1HG LYS 72 2HG LYS 72 22.905 10.753 2.783 547 2HG LYS 72 1HG LYS 72 23.945 10.854 4.204 548 1HD LYS 72 2HD LYS 72 25.478 10.074 2.657 549 2HD LYS 72 1HD LYS 72 24.860 8.537 3.264 550 1HE LYS 72 2HE LYS 72 23.246 8.448 1.401 551 2HE LYS 72 1HE LYS 72 23.861 9.984 0.791 552 1HZ LYS 72 1HZ LYS 72 24.922 8.243 -0.400 553 2HZ LYS 72 2HZ LYS 72 25.339 7.423 1.027 554 3HZ LYS 72 3HZ LYS 72 26.078 8.906 0.649 555 H ALA 73 H ALA 73 21.274 11.365 2.588 556 HA ALA 73 HA ALA 73 18.664 10.485 1.617 557 1HB ALA 73 1HB ALA 73 20.277 12.403 0.035 558 2HB ALA 73 2HB ALA 73 19.808 12.933 1.650 559 3HB ALA 73 3HB ALA 73 18.572 12.461 0.483 560 H LEU 74 H LEU 74 18.319 9.318 -0.217 561 HA LEU 74 HA LEU 74 20.711 8.128 -1.464 562 1HB LEU 74 2HB LEU 74 17.838 7.180 -1.353 563 2HB LEU 74 1HB LEU 74 19.128 6.359 -2.233 564 HG LEU 74 HG LEU 74 19.278 6.988 0.724 565 1HD1 LEU 74 1HD1 LEU 74 17.406 5.364 -0.064 566 2HD1 LEU 74 2HD1 LEU 74 18.495 4.821 1.213 567 3HD1 LEU 74 3HD1 LEU 74 18.731 4.264 -0.444 568 1HD2 LEU 74 1HD2 LEU 74 20.947 4.961 0.399 569 2HD2 LEU 74 2HD2 LEU 74 21.462 6.603 0.014 570 3HD2 LEU 74 3HD2 LEU 74 20.957 5.511 -1.276 571 H GLY 75 H GLY 75 17.636 7.902 -3.014 572 1HA GLY 75 2HA GLY 75 18.547 8.769 -5.510 573 2HA GLY 75 1HA GLY 75 16.854 8.664 -5.040 574 H LYS 76 H LYS 76 16.252 10.560 -6.100 575 HA LYS 76 HA LYS 76 17.613 13.045 -5.777 576 1HB LYS 76 2HB LYS 76 15.959 13.948 -7.126 577 2HB LYS 76 1HB LYS 76 15.883 12.248 -7.594 578 1HG LYS 76 2HG LYS 76 14.135 12.029 -5.682 579 2HG LYS 76 1HG LYS 76 14.023 13.786 -5.789 580 1HD LYS 76 2HD LYS 76 13.751 13.355 -8.357 581 2HD LYS 76 1HD LYS 76 13.314 11.721 -7.858 582 1HE LYS 76 2HE LYS 76 11.549 12.617 -6.403 583 2HE LYS 76 1HE LYS 76 12.000 14.262 -6.850 584 1HZ LYS 76 1HZ LYS 76 11.630 13.373 -9.242 585 2HZ LYS 76 2HZ LYS 76 10.293 13.833 -8.297 586 3HZ LYS 76 3HZ LYS 76 10.690 12.190 -8.471 587 H THR 77 H THR 77 15.919 11.261 -3.582 588 HA THR 77 HA THR 77 14.126 12.879 -2.286 589 HB THR 77 HB THR 77 16.210 11.071 -1.039 590 HG1 THR 77 1HG THR 77 14.942 9.801 -2.207 591 1HG2 THR 77 1HG2 THR 77 15.397 12.473 0.706 592 2HG2 THR 77 2HG2 THR 77 14.454 10.986 0.819 593 3HG2 THR 77 3HG2 THR 77 13.750 12.423 0.077 594 H LYS 78 H LYS 78 14.262 14.915 -1.618 595 HA LYS 78 HA LYS 78 16.807 16.209 -1.202 596 1HB LYS 78 2HB LYS 78 14.751 17.311 -2.192 597 2HB LYS 78 1HB LYS 78 14.066 17.310 -0.565 598 1HG LYS 78 2HG LYS 78 16.217 18.485 0.181 599 2HG LYS 78 1HG LYS 78 16.552 18.733 -1.534 600 1HD LYS 78 2HD LYS 78 14.055 19.652 -0.075 601 2HD LYS 78 1HD LYS 78 15.393 20.689 -0.575 602 1HE LYS 78 2HE LYS 78 13.424 19.208 -2.319 603 2HE LYS 78 1HE LYS 78 13.790 20.933 -2.302 604 1HZ LYS 78 1HZ LYS 78 14.869 19.986 -4.172 605 2HZ LYS 78 2HZ LYS 78 15.538 18.730 -3.245 606 3HZ LYS 78 3HZ LYS 78 16.077 20.326 -3.031 607 H LEU 79 H LEU 79 17.907 16.278 0.641 608 HA LEU 79 HA LEU 79 16.452 15.758 3.165 609 1HB LEU 79 2HB LEU 79 17.958 13.924 2.668 610 2HB LEU 79 1HB LEU 79 19.291 15.048 2.394 611 HG LEU 79 HG LEU 79 19.207 15.773 4.725 612 1HD1 LEU 79 1HD1 LEU 79 17.656 14.263 6.222 613 2HD1 LEU 79 2HD1 LEU 79 16.746 14.050 4.727 614 3HD1 LEU 79 3HD1 LEU 79 16.974 15.665 5.397 615 1HD2 LEU 79 1HD2 LEU 79 20.413 13.615 3.988 616 2HD2 LEU 79 2HD2 LEU 79 19.076 12.754 4.750 617 3HD2 LEU 79 3HD2 LEU 79 20.109 13.809 5.714 618 H GLU 80 H GLU 80 16.542 17.290 4.684 619 HA GLU 80 HA GLU 80 18.789 19.137 4.820 620 1HB GLU 80 2HB GLU 80 17.259 21.127 4.781 621 2HB GLU 80 1HB GLU 80 17.405 20.306 3.227 622 1HG GLU 80 2HG GLU 80 15.311 19.063 3.709 623 2HG GLU 80 1HG GLU 80 15.152 19.949 5.224 624 H GLN 81 H GLN 81 18.846 20.334 6.793 625 HA GLN 81 HA GLN 81 17.202 19.103 8.914 626 1HB GLN 81 2HB GLN 81 19.690 18.803 9.037 627 2HB GLN 81 1HB GLN 81 19.841 20.553 9.210 628 1HG GLN 81 2HG GLN 81 18.440 20.487 11.231 629 2HG GLN 81 1HG GLN 81 18.256 18.743 11.056 630 1HE2 GLN 81 1HE2 GLN 81 19.376 19.573 13.432 631 2HE2 GLN 81 2HE2 GLN 81 21.046 19.267 13.447 632 H GLN 82 H GLN 82 16.323 20.415 10.556 633 HA GLN 82 HA GLN 82 15.885 23.208 9.721 634 1HB GLN 82 2HB GLN 82 14.274 21.934 11.884 635 2HB GLN 82 1HB GLN 82 13.784 23.095 10.650 636 1HG GLN 82 2HG GLN 82 14.341 20.145 10.251 637 2HG GLN 82 1HG GLN 82 12.782 20.957 10.109 638 1HE2 GLN 82 1HE2 GLN 82 15.160 19.684 8.209 639 2HE2 GLN 82 2HE2 GLN 82 15.015 20.692 6.849 640 H GLU 83 H GLU 83 15.523 24.748 11.600 641 HA GLU 83 HA GLU 83 17.880 24.875 13.169 642 1HB GLU 83 2HB GLU 83 16.515 26.847 12.436 643 2HB GLU 83 1HB GLU 83 15.296 26.380 13.623 644 1HG GLU 83 2HG GLU 83 17.026 26.522 15.410 645 2HG GLU 83 1HG GLU 83 18.185 27.089 14.208 646 H ASN 84 H ASN 84 14.589 23.800 13.845 647 HA ASN 84 HA ASN 84 14.748 23.595 16.636 648 1HB ASN 84 2HB ASN 84 12.981 21.806 16.344 649 2HB ASN 84 1HB ASN 84 12.615 23.356 15.587 650 1HD2 ASN 84 1HD2 ASN 84 14.562 20.478 14.577 651 2HD2 ASN 84 2HD2 ASN 84 13.823 20.342 13.056 652 H GLY 85 H GLY 85 16.131 21.644 14.123 653 1HA GLY 85 2HA GLY 85 18.002 20.218 14.545 654 2HA GLY 85 1HA GLY 85 17.392 19.951 16.176 655 H GLU 86 H GLU 86 15.986 19.639 12.908 656 HA GLU 86 HA GLU 86 15.542 16.777 13.416 657 1HB GLU 86 2HB GLU 86 13.398 18.744 12.580 658 2HB GLU 86 1HB GLU 86 13.215 16.990 12.542 659 1HG GLU 86 2HG GLU 86 13.696 16.907 14.976 660 2HG GLU 86 1HG GLU 86 13.808 18.666 14.999 661 H TRP 87 H TRP 87 15.268 15.524 11.514 662 HA TRP 87 HA TRP 87 16.325 16.846 9.097 663 1HB TRP 87 2HB TRP 87 16.377 13.959 9.994 664 2HB TRP 87 1HB TRP 87 16.889 14.492 8.394 665 HD1 TRP 87 HD TRP 87 17.914 14.520 12.042 666 HE1 TRP 87 1HE TRP 87 20.315 15.437 12.245 667 HE3 TRP 87 3HE TRP 87 18.668 16.093 7.242 668 HZ2 TRP 87 2HZ TRP 87 22.304 16.647 10.583 669 HZ3 TRP 87 3HZ TRP 87 20.815 17.141 6.585 670 HH2 TRP 87 HH TRP 87 22.633 17.419 8.247 671 H VAL 88 H VAL 88 15.247 16.741 7.176 672 HA VAL 88 HA VAL 88 12.643 15.335 7.178 673 HB VAL 88 HB VAL 88 13.305 18.051 6.018 674 1HG1 VAL 88 1HG1 VAL 88 11.823 16.997 4.473 675 2HG1 VAL 88 2HG1 VAL 88 10.796 17.999 5.498 676 3HG1 VAL 88 3HG1 VAL 88 10.882 16.258 5.770 677 1HG2 VAL 88 1HG2 VAL 88 11.469 17.119 8.247 678 2HG2 VAL 88 2HG2 VAL 88 11.481 18.758 7.596 679 3HG2 VAL 88 3HG2 VAL 88 12.907 18.125 8.418 680 H ALA 89 H ALA 89 12.161 14.147 5.403 681 HA ALA 89 HA ALA 89 13.837 14.419 3.004 682 1HB ALA 89 1HB ALA 89 14.761 12.626 4.568 683 2HB ALA 89 2HB ALA 89 14.398 12.111 2.921 684 3HB ALA 89 3HB ALA 89 13.286 11.717 4.232 685 H SER 90 H SER 90 12.304 14.963 1.562 686 HA SER 90 HA SER 90 9.852 13.309 1.469 687 1HB SER 90 2HB SER 90 8.656 15.216 0.631 688 2HB SER 90 1HB SER 90 9.524 15.732 2.074 689 HG SER 90 HG SER 90 9.853 16.449 -0.567 690 H VAL 91 H VAL 91 9.175 12.527 -0.501 691 HA VAL 91 HA VAL 91 10.417 13.321 -2.975 692 HB VAL 91 HB VAL 91 12.115 11.777 -1.879 693 1HG1 VAL 91 1HG1 VAL 91 11.626 9.441 -1.733 694 2HG1 VAL 91 2HG1 VAL 91 10.103 9.635 -2.600 695 3HG1 VAL 91 3HG1 VAL 91 10.271 10.264 -0.961 696 1HG2 VAL 91 1HG2 VAL 91 10.817 11.163 -4.541 697 2HG2 VAL 91 2HG2 VAL 91 12.285 10.343 -4.010 698 3HG2 VAL 91 3HG2 VAL 91 12.283 12.093 -4.233 699 H VAL 92 H VAL 92 9.231 12.674 -4.743 700 HA VAL 92 HA VAL 92 6.686 11.335 -4.127 701 HB VAL 92 HB VAL 92 7.510 12.907 -6.579 702 1HG1 VAL 92 1HG1 VAL 92 4.849 11.800 -5.634 703 2HG1 VAL 92 2HG1 VAL 92 5.742 11.311 -7.074 704 3HG1 VAL 92 3HG1 VAL 92 5.036 12.924 -6.980 705 1HG2 VAL 92 1HG2 VAL 92 7.426 14.410 -4.707 706 2HG2 VAL 92 2HG2 VAL 92 5.967 13.644 -4.078 707 3HG2 VAL 92 3HG2 VAL 92 5.893 14.595 -5.561 708 H VAL 93 H VAL 93 6.088 9.440 -5.046 709 HA VAL 93 HA VAL 93 8.032 8.168 -6.880 710 HB VAL 93 HB VAL 93 6.202 6.805 -4.891 711 1HG1 VAL 93 1HG1 VAL 93 7.613 4.830 -5.441 712 2HG1 VAL 93 2HG1 VAL 93 8.444 5.791 -6.665 713 3HG1 VAL 93 3HG1 VAL 93 6.728 5.427 -6.845 714 1HG2 VAL 93 1HG2 VAL 93 9.210 7.177 -4.781 715 2HG2 VAL 93 2HG2 VAL 93 8.185 6.442 -3.548 716 3HG2 VAL 93 3HG2 VAL 93 8.069 8.171 -3.876 717 H TYR 94 H TYR 94 7.291 7.509 -8.806 718 HA TYR 94 HA TYR 94 4.459 7.899 -9.409 719 1HB TYR 94 2HB TYR 94 6.844 7.285 -11.169 720 2HB TYR 94 1HB TYR 94 5.197 7.503 -11.765 721 HD1 TYR 94 1HD TYR 94 3.991 9.704 -10.777 722 HD2 TYR 94 2HD TYR 94 8.232 9.151 -11.181 723 HE1 TYR 94 1HE TYR 94 4.314 12.162 -10.749 724 HE2 TYR 94 2HE TYR 94 8.554 11.611 -11.163 725 HH TYR 94 HH TYR 94 6.420 13.732 -10.062 726 HA PRO 95 HA PRO 95 3.351 3.662 -9.413 727 1HB PRO 95 2HB PRO 95 1.887 3.969 -11.945 728 2HB PRO 95 1HB PRO 95 1.261 3.678 -10.312 729 1HG PRO 95 2HG PRO 95 0.911 6.012 -11.555 730 2HG PRO 95 1HG PRO 95 1.161 5.910 -9.804 731 1HD PRO 95 2HD PRO 95 3.146 6.658 -11.946 732 2HD PRO 95 1HD PRO 95 2.855 7.427 -10.370 733 H CYS 96 H CYS 96 3.603 1.606 -10.488 734 HA CYS 96 HA CYS 96 4.819 0.080 -11.701 735 1HB CYS 96 2HB CYS 96 3.362 1.159 -13.498 736 2HB CYS 96 1HB CYS 96 4.778 2.119 -13.926 737 HG CYS 96 HG CYS 96 4.430 -0.454 -15.091 738 H GLU 97 H GLU 97 6.115 2.624 -10.399 739 HA GLU 97 HA GLU 97 8.810 2.041 -11.441 740 1HB GLU 97 2HB GLU 97 7.579 4.763 -11.006 741 2HB GLU 97 1HB GLU 97 9.321 4.509 -11.112 742 1HG GLU 97 2HG GLU 97 7.375 3.579 -13.236 743 2HG GLU 97 1HG GLU 97 8.210 5.130 -13.300 744 H THR 98 H THR 98 10.498 2.299 -9.926 745 HA THR 98 HA THR 98 9.634 2.688 -7.126 746 HB THR 98 HB THR 98 11.745 0.688 -7.904 747 HG1 THR 98 1HG THR 98 10.256 -0.709 -8.389 748 1HG2 THR 98 1HG2 THR 98 11.678 1.374 -5.567 749 2HG2 THR 98 2HG2 THR 98 11.067 -0.275 -5.704 750 3HG2 THR 98 3HG2 THR 98 9.942 1.068 -5.498 751 H GLU 99 H GLU 99 10.922 3.968 -5.917 752 HA GLU 99 HA GLU 99 13.544 4.744 -7.039 753 1HB GLU 99 2HB GLU 99 11.536 6.596 -5.731 754 2HB GLU 99 1HB GLU 99 13.132 7.051 -6.331 755 1HG GLU 99 2HG GLU 99 10.928 5.865 -8.040 756 2HG GLU 99 1HG GLU 99 11.308 7.584 -7.950 757 H MET 100 H MET 100 15.000 5.713 -5.405 758 HA MET 100 HA MET 100 14.885 4.162 -2.944 759 1HB MET 100 2HB MET 100 16.948 5.030 -4.590 760 2HB MET 100 1HB MET 100 17.084 6.061 -3.165 761 1HG MET 100 2HG MET 100 18.385 4.083 -2.728 762 2HG MET 100 1HG MET 100 16.920 3.966 -1.753 763 1HE MET 100 1HE MET 100 15.533 2.091 -1.624 764 2HE MET 100 2HE MET 100 17.145 1.417 -1.400 765 3HE MET 100 3HE MET 100 15.963 0.548 -2.375 766 H PHE 101 H PHE 101 15.151 5.117 -0.845 767 HA PHE 101 HA PHE 101 13.996 7.835 -0.684 768 1HB PHE 101 2HB PHE 101 12.514 6.051 0.184 769 2HB PHE 101 1HB PHE 101 13.776 5.577 1.323 770 HD1 PHE 101 1HD PHE 101 12.844 6.149 3.428 771 HD2 PHE 101 2HD PHE 101 12.795 9.005 0.221 772 HE1 PHE 101 1HE PHE 101 12.030 7.891 4.994 773 HE2 PHE 101 2HE PHE 101 11.990 10.751 1.788 774 HZ PHE 101 HZ PHE 101 11.600 10.193 4.173 775 H ILE 102 H ILE 102 15.162 6.153 2.110 776 HA ILE 102 HA ILE 102 17.634 7.760 2.124 777 HB ILE 102 HB ILE 102 17.248 8.454 4.409 778 1HG1 ILE 102 2HG1 ILE 102 14.816 7.939 5.277 779 2HG1 ILE 102 1HG1 ILE 102 14.910 6.582 4.154 780 1HG2 ILE 102 1HG2 ILE 102 14.827 8.917 2.641 781 2HG2 ILE 102 2HG2 ILE 102 16.293 9.896 2.683 782 3HG2 ILE 102 3HG2 ILE 102 15.214 9.862 4.077 783 1HD1 ILE 102 1HD1 ILE 102 17.355 6.828 5.708 784 2HD1 ILE 102 2HD1 ILE 102 16.282 5.439 5.530 785 3HD1 ILE 102 3HD1 ILE 102 15.946 6.661 6.756 786 H GLU 103 H GLU 103 19.241 6.981 3.659 787 HA GLU 103 HA GLU 103 18.847 4.178 4.493 788 1HB GLU 103 2HB GLU 103 20.090 4.049 2.429 789 2HB GLU 103 1HB GLU 103 21.208 5.301 2.971 790 1HG GLU 103 2HG GLU 103 20.854 2.820 4.624 791 2HG GLU 103 1HG GLU 103 21.888 2.774 3.198 792 H GLY 104 H GLY 104 20.309 3.480 6.183 793 1HA GLY 104 2HA GLY 104 22.169 4.195 7.693 794 2HA GLY 104 1HA GLY 104 21.329 5.739 7.806 795 H ARG 105 H ARG 105 21.373 5.319 10.139 796 HA ARG 105 HA ARG 105 19.553 3.222 11.083 797 1HB ARG 105 2HB ARG 105 21.784 3.613 12.182 798 2HB ARG 105 1HB ARG 105 21.175 5.177 12.724 799 1HG ARG 105 2HG ARG 105 19.275 4.005 13.843 800 2HG ARG 105 1HG ARG 105 19.997 2.462 13.384 801 1HD ARG 105 2HD ARG 105 21.293 4.581 15.123 802 2HD ARG 105 1HD ARG 105 20.627 3.050 15.684 803 HE ARG 105 HE ARG 105 22.535 2.495 13.693 804 1HH1 ARG 105 1HH2 ARG 105 22.290 3.809 16.885 805 2HH1 ARG 105 2HH2 ARG 105 23.880 3.315 17.359 806 1HH2 ARG 105 1HH1 ARG 105 24.625 1.851 14.306 807 2HH2 ARG 105 2HH1 ARG 105 25.202 2.207 15.900 808 H VAL 106 H VAL 106 17.603 3.623 12.033 809 HA VAL 106 HA VAL 106 16.737 6.450 12.156 810 HB VAL 106 HB VAL 106 14.856 4.172 11.592 811 1HG1 VAL 106 1HG1 VAL 106 13.405 5.883 10.850 812 2HG1 VAL 106 2HG1 VAL 106 14.724 7.040 10.666 813 3HG1 VAL 106 3HG1 VAL 106 14.175 6.578 12.277 814 1HG2 VAL 106 1HG2 VAL 106 16.449 3.952 9.825 815 2HG2 VAL 106 2HG2 VAL 106 16.616 5.700 9.662 816 3HG2 VAL 106 3HG2 VAL 106 15.126 4.905 9.153 817 H ASN 107 H ASN 107 15.774 7.114 13.990 818 HA ASN 107 HA ASN 107 14.793 5.141 15.923 819 1HB ASN 107 2HB ASN 107 16.045 6.488 17.730 820 2HB ASN 107 1HB ASN 107 16.980 5.348 16.765 821 1HD2 ASN 107 1HD2 ASN 107 18.496 7.316 17.874 822 2HD2 ASN 107 2HD2 ASN 107 18.917 8.497 16.729 823 H GLY 108 H GLY 108 12.816 5.784 16.479 824 1HA GLY 108 2HA GLY 108 10.980 7.134 16.834 825 2HA GLY 108 1HA GLY 108 12.125 8.191 17.657 826 H PHE 109 H PHE 109 10.191 7.729 14.856 827 HA PHE 109 HA PHE 109 10.935 10.398 13.901 828 1HB PHE 109 2HB PHE 109 11.065 9.548 11.553 829 2HB PHE 109 1HB PHE 109 12.370 8.960 12.585 830 HD1 PHE 109 1HD PHE 109 12.235 6.644 13.562 831 HD2 PHE 109 2HD PHE 109 9.467 8.052 10.594 832 HE1 PHE 109 1HE PHE 109 11.552 4.307 13.090 833 HE2 PHE 109 2HE PHE 109 8.783 5.715 10.123 834 HZ PHE 109 HZ PHE 109 9.826 3.843 11.370 835 H LYS 110 H LYS 110 9.376 11.284 12.385 836 HA LYS 110 HA LYS 110 6.684 10.141 12.794 837 1HB LYS 110 2HB LYS 110 7.027 12.437 13.643 838 2HB LYS 110 1HB LYS 110 7.485 12.958 12.020 839 1HG LYS 110 2HG LYS 110 5.286 12.375 11.158 840 2HG LYS 110 1HG LYS 110 4.819 11.694 12.716 841 1HD LYS 110 2HD LYS 110 3.902 13.967 12.450 842 2HD LYS 110 1HD LYS 110 5.079 13.917 13.764 843 1HE LYS 110 2HE LYS 110 6.043 14.580 11.007 844 2HE LYS 110 1HE LYS 110 5.196 15.824 11.929 845 1HZ LYS 110 1HZ LYS 110 7.845 14.887 12.231 846 2HZ LYS 110 2HZ LYS 110 6.983 14.631 13.672 847 3HZ LYS 110 3HZ LYS 110 7.081 16.190 13.003 848 H SER 111 H SER 111 5.607 9.337 11.106 849 HA SER 111 HA SER 111 6.700 9.834 8.405 850 1HB SER 111 2HB SER 111 5.074 7.458 9.326 851 2HB SER 111 1HB SER 111 5.889 7.651 7.776 852 HG SER 111 HG SER 111 7.722 7.147 8.691 853 H LYS 112 H LYS 112 5.409 10.635 6.856 854 HA LYS 112 HA LYS 112 2.497 10.630 7.247 855 1HB LYS 112 2HB LYS 112 3.487 12.804 8.108 856 2HB LYS 112 1HB LYS 112 3.986 13.136 6.450 857 1HG LYS 112 2HG LYS 112 1.909 14.169 6.470 858 2HG LYS 112 1HG LYS 112 1.457 12.557 5.916 859 1HD LYS 112 2HD LYS 112 -0.062 12.815 7.642 860 2HD LYS 112 1HD LYS 112 1.280 12.090 8.530 861 1HE LYS 112 2HE LYS 112 0.617 13.991 9.812 862 2HE LYS 112 1HE LYS 112 2.092 14.472 8.973 863 1HZ LYS 112 1HZ LYS 112 0.671 16.227 8.572 864 2HZ LYS 112 2HZ LYS 112 -0.697 15.234 8.404 865 3HZ LYS 112 3HZ LYS 112 0.471 15.290 7.172 866 H MET 113 H MET 113 1.526 9.966 5.438 867 HA MET 113 HA MET 113 2.831 10.509 2.847 868 1HB MET 113 2HB MET 113 1.637 7.858 3.691 869 2HB MET 113 1HB MET 113 2.300 8.234 2.101 870 1HG MET 113 2HG MET 113 4.150 7.250 3.094 871 2HG MET 113 1HG MET 113 4.426 8.939 3.518 872 1HE MET 113 1HE MET 113 3.889 5.447 4.520 873 2HE MET 113 2HE MET 113 2.207 5.888 4.800 874 3HE MET 113 3HE MET 113 3.230 5.435 6.161 875 H ASP 114 H ASP 114 1.303 10.022 0.999 876 HA ASP 114 HA ASP 114 -1.522 10.051 1.494 877 1HB ASP 114 2HB ASP 114 -0.760 12.432 2.027 878 2HB ASP 114 1HB ASP 114 -0.395 12.587 0.310 879 H ALA 115 H ALA 115 -2.704 10.562 -0.658 880 HA ALA 115 HA ALA 115 -1.067 9.605 -2.926 881 1HB ALA 115 1HB ALA 115 -3.938 8.794 -2.461 882 2HB ALA 115 2HB ALA 115 -2.573 7.832 -1.892 883 3HB ALA 115 3HB ALA 115 -2.792 8.118 -3.619 884 H LEU 116 H LEU 116 -0.891 11.711 -3.750 885 HA LEU 116 HA LEU 116 -3.343 13.180 -4.365 886 1HB LEU 116 2HB LEU 116 -0.631 14.086 -5.245 887 2HB LEU 116 1HB LEU 116 -2.004 15.039 -4.680 888 HG LEU 116 HG LEU 116 -0.261 13.246 -2.962 889 1HD1 LEU 116 1HD1 LEU 116 0.921 15.273 -3.509 890 2HD1 LEU 116 2HD1 LEU 116 0.291 15.466 -1.873 891 3HD1 LEU 116 3HD1 LEU 116 -0.517 16.254 -3.229 892 1HD2 LEU 116 1HD2 LEU 116 -2.745 14.875 -2.407 893 2HD2 LEU 116 2HD2 LEU 116 -1.614 14.450 -1.124 894 3HD2 LEU 116 3HD2 LEU 116 -2.442 13.180 -2.024 895 HA PRO 117 HA PRO 117 -3.886 11.898 -8.539 896 1HB PRO 117 2HB PRO 117 -3.889 14.813 -9.201 897 2HB PRO 117 1HB PRO 117 -5.079 13.562 -9.609 898 1HG PRO 117 2HG PRO 117 -5.546 15.348 -7.693 899 2HG PRO 117 1HG PRO 117 -6.097 13.670 -7.554 900 1HD PRO 117 2HD PRO 117 -3.851 15.033 -6.142 901 2HD PRO 117 1HD PRO 117 -4.884 13.694 -5.595 902 H LEU 118 H LEU 118 -2.855 11.969 -10.668 903 HA LEU 118 HA LEU 118 0.007 12.419 -10.458 904 1HB LEU 118 2HB LEU 118 -1.705 11.322 -12.702 905 2HB LEU 118 1HB LEU 118 0.057 11.407 -12.734 906 HG LEU 118 HG LEU 118 -1.339 10.066 -10.432 907 1HD1 LEU 118 1HD1 LEU 118 -1.254 7.940 -11.635 908 2HD1 LEU 118 2HD1 LEU 118 -0.594 8.744 -13.059 909 3HD1 LEU 118 3HD1 LEU 118 -2.245 9.085 -12.539 910 1HD2 LEU 118 1HD2 LEU 118 1.270 9.376 -11.798 911 2HD2 LEU 118 2HD2 LEU 118 0.751 8.964 -10.162 912 3HD2 LEU 118 3HD2 LEU 118 1.174 10.629 -10.560 913 H SER 119 H SER 119 0.691 14.457 -10.700 914 HA SER 119 HA SER 119 -0.693 16.455 -12.173 915 1HB SER 119 2HB SER 119 2.182 16.375 -11.229 916 2HB SER 119 1HB SER 119 1.343 17.807 -11.818 917 HG SER 119 HG SER 119 0.080 17.806 -10.057 918 H GLU 120 H GLU 120 0.458 17.722 -13.949 919 HA GLU 120 HA GLU 120 0.662 16.180 -16.258 920 1HB GLU 120 2HB GLU 120 1.570 18.171 -17.330 921 2HB GLU 120 1HB GLU 120 0.276 18.633 -16.226 922 1HG GLU 120 2HG GLU 120 2.027 19.090 -14.478 923 2HG GLU 120 1HG GLU 120 3.256 18.811 -15.712 924 H GLU 121 H GLU 121 3.078 17.007 -13.878 925 HA GLU 121 HA GLU 121 5.432 16.531 -15.289 926 1HB GLU 121 2HB GLU 121 5.230 17.379 -12.919 927 2HB GLU 121 1HB GLU 121 4.940 15.712 -12.420 928 1HG GLU 121 2HG GLU 121 7.293 16.121 -12.148 929 2HG GLU 121 1HG GLU 121 7.110 15.094 -13.570 930 H TYR 122 H TYR 122 3.196 14.256 -13.765 931 HA TYR 122 HA TYR 122 4.763 11.925 -14.078 932 1HB TYR 122 2HB TYR 122 2.904 11.766 -12.620 933 2HB TYR 122 1HB TYR 122 1.791 12.387 -13.841 934 HD1 TYR 122 1HD TYR 122 4.182 9.557 -13.253 935 HD2 TYR 122 2HD TYR 122 0.558 10.884 -15.141 936 HE1 TYR 122 1HE TYR 122 3.762 7.253 -14.068 937 HE2 TYR 122 2HE TYR 122 0.132 8.576 -15.945 938 HH TYR 122 HH TYR 122 2.304 6.296 -16.213 939 H ARG 123 H ARG 123 2.386 13.496 -16.186 940 HA ARG 123 HA ARG 123 2.217 11.543 -18.182 941 1HB ARG 123 2HB ARG 123 2.075 14.555 -18.473 942 2HB ARG 123 1HB ARG 123 1.510 13.383 -19.665 943 1HG ARG 123 2HG ARG 123 -0.003 12.428 -17.883 944 2HG ARG 123 1HG ARG 123 0.452 13.789 -16.856 945 1HD ARG 123 2HD ARG 123 -0.898 13.947 -19.564 946 2HD ARG 123 1HD ARG 123 -1.630 14.319 -18.005 947 HE ARG 123 HE ARG 123 0.574 15.972 -18.177 948 1HH1 ARG 123 1HH2 ARG 123 -2.257 15.317 -20.057 949 2HH1 ARG 123 2HH2 ARG 123 -2.378 16.925 -20.690 950 1HH2 ARG 123 1HH1 ARG 123 0.418 18.084 -18.997 951 2HH2 ARG 123 2HH1 ARG 123 -0.864 18.493 -20.087 952 H GLN 124 H GLN 124 4.519 14.206 -17.759 953 HA GLN 124 HA GLN 124 5.943 13.718 -20.186 954 1HB GLN 124 2HB GLN 124 6.687 15.203 -17.660 955 2HB GLN 124 1HB GLN 124 7.700 15.158 -19.103 956 1HG GLN 124 2HG GLN 124 4.814 16.073 -19.120 957 2HG GLN 124 1HG GLN 124 6.181 17.173 -18.956 958 1HE2 GLN 124 1HE2 GLN 124 7.508 17.562 -20.838 959 2HE2 GLN 124 2HE2 GLN 124 7.069 17.002 -22.380 960 H HIS 125 H HIS 125 6.315 12.658 -16.839 961 HA HIS 125 HA HIS 125 8.842 11.493 -16.975 962 1HB HIS 125 2HB HIS 125 7.845 11.621 -14.838 963 2HB HIS 125 1HB HIS 125 6.379 10.804 -15.382 964 HD1 HIS 125 1HD HIS 125 9.885 10.159 -14.262 965 HD2 HIS 125 2HD HIS 125 6.613 7.963 -15.619 966 HE1 HIS 125 1HE HIS 125 10.379 7.734 -13.724 967 HE2 HIS 125 2HE HIS 125 8.400 6.379 -14.561 968 H GLN 126 H GLN 126 5.790 10.419 -18.266 969 HA GLN 126 HA GLN 126 6.385 7.689 -18.652 970 1HB GLN 126 2HB GLN 126 4.592 9.540 -20.241 971 2HB GLN 126 1HB GLN 126 4.608 7.782 -20.388 972 1HG GLN 126 2HG GLN 126 3.951 7.529 -18.062 973 2HG GLN 126 1HG GLN 126 4.076 9.268 -17.801 974 1HE2 GLN 126 1HE2 GLN 126 1.615 8.010 -17.273 975 2HE2 GLN 126 2HE2 GLN 126 0.485 8.467 -18.454 976 H ALA 127 H ALA 127 7.339 10.565 -20.366 977 HA ALA 127 HA ALA 127 8.086 9.364 -22.825 978 1HB ALA 127 1HB ALA 127 9.353 11.805 -21.572 979 2HB ALA 127 2HB ALA 127 7.787 11.840 -22.381 980 3HB ALA 127 3HB ALA 127 9.238 11.409 -23.287 981 H GLU 128 H GLU 128 10.153 10.479 -20.130 982 HA GLU 128 HA GLU 128 12.475 9.139 -21.090 983 1HB GLU 128 2HB GLU 128 13.491 9.778 -19.000 984 2HB GLU 128 1HB GLU 128 12.474 11.115 -19.538 985 1HG GLU 128 2HG GLU 128 10.629 10.179 -18.086 986 2HG GLU 128 1HG GLU 128 11.809 9.045 -17.431 987 H LYS 129 H LYS 129 9.737 8.129 -19.259 988 HA LYS 129 HA LYS 129 10.683 6.075 -17.679 989 1HB LYS 129 2HB LYS 129 8.306 6.801 -17.820 990 2HB LYS 129 1HB LYS 129 8.177 5.974 -19.373 991 1HG LYS 129 2HG LYS 129 8.755 3.839 -18.308 992 2HG LYS 129 1HG LYS 129 8.944 4.650 -16.753 993 1HD LYS 129 2HD LYS 129 6.734 3.607 -16.869 994 2HD LYS 129 1HD LYS 129 6.561 5.363 -16.866 995 1HE LYS 129 2HE LYS 129 5.235 3.914 -18.627 996 2HE LYS 129 1HE LYS 129 5.963 5.445 -19.115 997 1HZ LYS 129 1HZ LYS 129 6.404 3.409 -20.554 998 2HZ LYS 129 2HZ LYS 129 7.454 2.904 -19.317 999 3HZ LYS 129 3HZ LYS 129 7.736 4.369 -20.130 1000 H ASP 130 H ASP 130 10.144 6.097 -21.168 1001 HA ASP 130 HA ASP 130 10.686 4.588 -22.817 1002 1HB ASP 130 2HB ASP 130 12.951 5.194 -21.939 1003 2HB ASP 130 1HB ASP 130 12.870 3.783 -20.885 1004 H LYS 131 H LYS 131 8.881 3.253 -22.749 1005 HA LYS 131 HA LYS 131 7.728 1.282 -22.504 1006 1HB LYS 131 2HB LYS 131 9.981 0.422 -23.334 1007 2HB LYS 131 1HB LYS 131 10.347 0.052 -21.648 1008 1HG LYS 131 2HG LYS 131 8.119 -1.221 -21.605 1009 2HG LYS 131 1HG LYS 131 8.136 -1.087 -23.364 1010 1HD LYS 131 2HD LYS 131 10.316 -2.341 -21.669 1011 2HD LYS 131 1HD LYS 131 9.140 -3.220 -22.647 1012 1HE LYS 131 2HE LYS 131 11.375 -1.419 -23.583 1013 2HE LYS 131 1HE LYS 131 11.069 -3.101 -24.019 1014 1HZ LYS 131 1HZ LYS 131 10.274 -1.957 -25.835 1015 2HZ LYS 131 2HZ LYS 131 9.668 -0.668 -24.908 1016 3HZ LYS 131 3HZ LYS 131 8.860 -2.163 -24.920 Start of MODEL 22 1 H MET 1 1H MET 1 -8.728 -19.615 24.084 2 HA MET 1 HA MET 1 -7.448 -17.333 24.404 3 1HB MET 1 2HB MET 1 -8.351 -18.896 26.151 4 2HB MET 1 1HB MET 1 -6.860 -19.830 26.022 5 1HG MET 1 2HG MET 1 -5.565 -17.779 26.600 6 2HG MET 1 1HG MET 1 -7.086 -16.916 26.827 7 1HE MET 1 1HE MET 1 -6.415 -16.200 29.076 8 2HE MET 1 2HE MET 1 -4.890 -17.080 29.141 9 3HE MET 1 3HE MET 1 -6.041 -17.227 30.467 10 H GLY 2 H GLY 2 -5.633 -16.504 23.585 11 1HA GLY 2 2HA GLY 2 -3.324 -16.268 23.326 12 2HA GLY 2 1HA GLY 2 -3.117 -17.931 23.869 13 H CYS 3 H CYS 3 -5.497 -17.516 21.463 14 HA CYS 3 HA CYS 3 -3.863 -18.957 19.537 15 1HB CYS 3 2HB CYS 3 -6.204 -19.623 19.896 16 2HB CYS 3 1HB CYS 3 -6.740 -18.024 19.379 17 HG CYS 3 HG CYS 3 -5.003 -19.311 17.253 18 H GLY 4 H GLY 4 -2.502 -17.817 18.312 19 1HA GLY 4 2HA GLY 4 -3.056 -15.044 17.623 20 2HA GLY 4 1HA GLY 4 -1.589 -15.943 17.249 21 H ALA 5 H ALA 5 -1.998 -14.758 15.144 22 HA ALA 5 HA ALA 5 -4.137 -15.467 13.439 23 1HB ALA 5 1HB ALA 5 -1.363 -14.705 12.524 24 2HB ALA 5 2HB ALA 5 -2.508 -13.527 13.166 25 3HB ALA 5 3HB ALA 5 -2.896 -14.424 11.698 26 H SER 6 H SER 6 -1.507 -17.277 14.556 27 HA SER 6 HA SER 6 -0.834 -19.429 14.103 28 1HB SER 6 2HB SER 6 -2.906 -19.654 11.944 29 2HB SER 6 1HB SER 6 -2.308 -20.893 13.045 30 HG SER 6 HG SER 6 -4.478 -19.725 13.393 31 H SER 7 H SER 7 1.149 -19.137 13.223 32 HA SER 7 HA SER 7 2.800 -18.882 11.641 33 1HB SER 7 2HB SER 7 1.972 -21.019 10.868 34 2HB SER 7 1HB SER 7 0.660 -20.239 9.989 35 HG SER 7 HG SER 7 2.010 -20.039 8.403 36 H GLU 8 H GLU 8 3.259 -17.986 9.358 37 HA GLU 8 HA GLU 8 1.356 -16.064 8.338 38 1HB GLU 8 2HB GLU 8 2.369 -14.927 10.351 39 2HB GLU 8 1HB GLU 8 3.926 -15.003 9.527 40 1HG GLU 8 2HG GLU 8 2.914 -13.777 7.598 41 2HG GLU 8 1HG GLU 8 1.426 -13.612 8.526 42 H ASN 9 H ASN 9 2.018 -17.817 6.704 43 HA ASN 9 HA ASN 9 4.548 -17.867 5.498 44 1HB ASN 9 2HB ASN 9 2.620 -19.473 5.118 45 2HB ASN 9 1HB ASN 9 1.933 -18.260 4.040 46 1HD2 ASN 9 1HD2 ASN 9 2.529 -20.584 2.770 47 2HD2 ASN 9 2HD2 ASN 9 3.965 -20.457 1.874 48 H SER 10 H SER 10 1.754 -15.776 4.940 49 HA SER 10 HA SER 10 3.489 -13.857 3.584 50 1HB SER 10 2HB SER 10 2.562 -15.343 1.792 51 2HB SER 10 1HB SER 10 0.944 -14.846 2.279 52 HG SER 10 HG SER 10 2.827 -13.524 0.811 53 H SER 11 H SER 11 2.660 -11.738 3.577 54 HA SER 11 HA SER 11 0.079 -11.263 4.873 55 1HB SER 11 2HB SER 11 1.680 -11.366 6.737 56 2HB SER 11 1HB SER 11 2.685 -10.154 5.947 57 HG SER 11 HG SER 11 0.918 -8.716 6.093 58 H VAL 12 H VAL 12 1.612 -10.801 2.247 59 HA VAL 12 HA VAL 12 0.682 -8.045 1.900 60 HB VAL 12 HB VAL 12 3.406 -8.849 0.888 61 1HG1 VAL 12 1HG1 VAL 12 3.672 -6.512 0.491 62 2HG1 VAL 12 2HG1 VAL 12 2.266 -6.110 1.477 63 3HG1 VAL 12 3HG1 VAL 12 2.051 -6.903 -0.085 64 1HG2 VAL 12 1HG2 VAL 12 4.293 -7.498 2.812 65 2HG2 VAL 12 2HG2 VAL 12 3.520 -9.002 3.314 66 3HG2 VAL 12 3HG2 VAL 12 2.664 -7.469 3.487 67 H THR 13 H THR 13 -0.254 -7.717 -0.045 68 HA THR 13 HA THR 13 0.121 -9.793 -2.119 69 HB THR 13 HB THR 13 -2.507 -8.397 -1.651 70 HG1 THR 13 1HG THR 13 -3.088 -10.070 -0.346 71 1HG2 THR 13 1HG2 THR 13 -1.801 -11.059 -2.912 72 2HG2 THR 13 2HG2 THR 13 -2.036 -9.564 -3.817 73 3HG2 THR 13 3HG2 THR 13 -3.379 -10.272 -2.920 74 H TYR 14 H TYR 14 0.163 -9.095 -4.233 75 HA TYR 14 HA TYR 14 0.212 -6.161 -4.612 76 1HB TYR 14 2HB TYR 14 1.724 -8.294 -6.141 77 2HB TYR 14 1HB TYR 14 1.808 -6.557 -6.434 78 HD1 TYR 14 1HD TYR 14 2.794 -9.301 -4.208 79 HD2 TYR 14 2HD TYR 14 2.863 -5.047 -4.796 80 HE1 TYR 14 1HE TYR 14 4.534 -9.087 -2.454 81 HE2 TYR 14 2HE TYR 14 4.603 -4.833 -3.042 82 HH TYR 14 HH TYR 14 6.379 -7.405 -1.892 83 H VAL 15 H VAL 15 -0.402 -5.425 -6.796 84 HA VAL 15 HA VAL 15 -2.207 -7.240 -8.235 85 HB VAL 15 HB VAL 15 -3.906 -6.260 -7.049 86 1HG1 VAL 15 1HG1 VAL 15 -2.141 -3.802 -6.842 87 2HG1 VAL 15 2HG1 VAL 15 -2.482 -4.964 -5.560 88 3HG1 VAL 15 3HG1 VAL 15 -3.765 -3.917 -6.166 89 1HG2 VAL 15 1HG2 VAL 15 -4.950 -4.585 -8.388 90 2HG2 VAL 15 2HG2 VAL 15 -3.965 -5.523 -9.509 91 3HG2 VAL 15 3HG2 VAL 15 -3.399 -3.953 -8.940 92 H ASN 16 H ASN 16 -0.915 -3.918 -8.125 93 HA ASN 16 HA ASN 16 -1.075 -3.660 -11.005 94 1HB ASN 16 2HB ASN 16 0.191 -1.842 -8.941 95 2HB ASN 16 1HB ASN 16 -0.111 -1.437 -10.631 96 1HD2 ASN 16 1HD2 ASN 16 -1.343 -0.698 -7.738 97 2HD2 ASN 16 2HD2 ASN 16 -3.002 -0.638 -8.095 98 H GLY 17 H GLY 17 0.944 -5.357 -9.107 99 1HA GLY 17 2HA GLY 17 2.774 -6.432 -10.463 100 2HA GLY 17 1HA GLY 17 3.319 -4.788 -10.782 101 H ARG 18 H ARG 18 4.995 -6.686 -9.622 102 HA ARG 18 HA ARG 18 5.043 -6.139 -6.748 103 1HB ARG 18 2HB ARG 18 7.184 -7.689 -8.146 104 2HB ARG 18 1HB ARG 18 6.479 -7.938 -6.548 105 1HG ARG 18 2HG ARG 18 5.122 -8.492 -9.204 106 2HG ARG 18 1HG ARG 18 5.723 -9.702 -8.070 107 1HD ARG 18 2HD ARG 18 4.171 -8.511 -6.348 108 2HD ARG 18 1HD ARG 18 3.380 -7.837 -7.770 109 HE ARG 18 HE ARG 18 3.116 -10.508 -6.811 110 1HH1 ARG 18 1HH2 ARG 18 3.381 -8.591 -9.679 111 2HH1 ARG 18 2HH2 ARG 18 2.495 -9.701 -10.670 112 1HH2 ARG 18 1HH1 ARG 18 1.953 -11.970 -8.104 113 2HH2 ARG 18 2HH1 ARG 18 1.686 -11.614 -9.778 114 HA PRO 19 HA PRO 19 7.710 -2.642 -6.863 115 1HB PRO 19 2HB PRO 19 9.153 -4.130 -4.700 116 2HB PRO 19 1HB PRO 19 8.587 -2.449 -4.728 117 1HG PRO 19 2HG PRO 19 7.287 -4.356 -3.383 118 2HG PRO 19 1HG PRO 19 6.443 -3.016 -4.175 119 1HD PRO 19 2HD PRO 19 6.531 -5.879 -4.938 120 2HD PRO 19 1HD PRO 19 5.322 -4.642 -5.338 121 H THR 20 H THR 20 9.623 -2.087 -7.847 122 HA THR 20 HA THR 20 11.100 -4.128 -9.217 123 HB THR 20 HB THR 20 11.767 -1.191 -8.915 124 HG1 THR 20 1HG THR 20 10.059 -0.936 -10.081 125 1HG2 THR 20 1HG2 THR 20 12.970 -1.554 -11.041 126 2HG2 THR 20 2HG2 THR 20 12.542 -3.264 -10.985 127 3HG2 THR 20 3HG2 THR 20 13.611 -2.583 -9.760 128 H PHE 21 H PHE 21 11.531 -2.277 -6.284 129 HA PHE 21 HA PHE 21 14.282 -3.236 -5.959 130 1HB PHE 21 2HB PHE 21 13.788 -0.884 -5.417 131 2HB PHE 21 1HB PHE 21 12.616 -1.411 -4.210 132 HD1 PHE 21 1HD PHE 21 16.219 -1.641 -5.160 133 HD2 PHE 21 2HD PHE 21 13.302 -2.010 -2.026 134 HE1 PHE 21 1HE PHE 21 18.039 -1.881 -3.493 135 HE2 PHE 21 2HE PHE 21 15.123 -2.249 -0.360 136 HZ PHE 21 HZ PHE 21 17.491 -2.185 -1.093 137 H VAL 22 H VAL 22 14.910 -4.691 -4.414 138 HA VAL 22 HA VAL 22 12.730 -6.095 -2.996 139 HB VAL 22 HB VAL 22 14.960 -7.729 -2.870 140 1HG1 VAL 22 1HG1 VAL 22 12.642 -8.415 -3.341 141 2HG1 VAL 22 2HG1 VAL 22 13.740 -9.071 -4.556 142 3HG1 VAL 22 3HG1 VAL 22 12.739 -7.669 -4.936 143 1HG2 VAL 22 1HG2 VAL 22 14.787 -6.527 -5.650 144 2HG2 VAL 22 2HG2 VAL 22 15.882 -7.802 -5.117 145 3HG2 VAL 22 3HG2 VAL 22 16.069 -6.162 -4.494 146 H GLY 23 H GLY 23 13.267 -6.980 -0.867 147 1HA GLY 23 2HA GLY 23 15.539 -5.894 0.561 148 2HA GLY 23 1HA GLY 23 13.996 -5.184 1.028 149 H GLU 24 H GLU 24 13.548 -6.039 2.977 150 HA GLU 24 HA GLU 24 13.361 -8.974 3.161 151 1HB GLU 24 2HB GLU 24 14.600 -7.163 5.247 152 2HB GLU 24 1HB GLU 24 14.285 -8.887 5.451 153 1HG GLU 24 2HG GLU 24 16.044 -7.709 3.281 154 2HG GLU 24 1HG GLU 24 16.645 -8.407 4.785 155 H GLU 25 H GLU 25 12.858 -6.249 5.403 156 HA GLU 25 HA GLU 25 10.292 -7.333 6.202 157 1HB GLU 25 2HB GLU 25 11.905 -6.233 7.794 158 2HB GLU 25 1HB GLU 25 11.538 -4.698 7.004 159 1HG GLU 25 2HG GLU 25 10.097 -4.876 8.927 160 2HG GLU 25 1HG GLU 25 9.100 -5.126 7.495 161 H VAL 26 H VAL 26 8.369 -6.781 5.397 162 HA VAL 26 HA VAL 26 8.204 -4.345 3.726 163 HB VAL 26 HB VAL 26 6.452 -6.762 3.338 164 1HG1 VAL 26 1HG1 VAL 26 7.368 -4.490 1.546 165 2HG1 VAL 26 2HG1 VAL 26 5.773 -4.650 2.281 166 3HG1 VAL 26 3HG1 VAL 26 6.298 -5.803 1.054 167 1HG2 VAL 26 1HG2 VAL 26 8.724 -7.600 3.133 168 2HG2 VAL 26 2HG2 VAL 26 9.190 -6.210 2.150 169 3HG2 VAL 26 3HG2 VAL 26 8.060 -7.404 1.511 170 H THR 27 H THR 27 6.606 -2.932 4.166 171 HA THR 27 HA THR 27 4.415 -3.765 5.945 172 HB THR 27 HB THR 27 5.509 -1.076 6.484 173 HG1 THR 27 1HG THR 27 7.400 -1.714 7.101 174 1HG2 THR 27 1HG2 THR 27 4.893 -3.317 8.406 175 2HG2 THR 27 2HG2 THR 27 3.610 -2.360 7.665 176 3HG2 THR 27 3HG2 THR 27 4.814 -1.578 8.688 177 H LYS 28 H LYS 28 2.756 -1.922 6.101 178 HA LYS 28 HA LYS 28 2.575 -0.497 3.518 179 1HB LYS 28 2HB LYS 28 0.013 -0.928 3.856 180 2HB LYS 28 1HB LYS 28 1.026 -2.194 3.160 181 1HG LYS 28 2HG LYS 28 0.834 -2.147 6.126 182 2HG LYS 28 1HG LYS 28 -0.620 -2.635 5.254 183 1HD LYS 28 2HD LYS 28 0.620 -4.365 4.065 184 2HD LYS 28 1HD LYS 28 2.129 -3.834 4.810 185 1HE LYS 28 2HE LYS 28 -0.270 -4.835 6.368 186 2HE LYS 28 1HE LYS 28 1.113 -5.838 5.933 187 1HZ LYS 28 1HZ LYS 28 2.141 -3.527 7.050 188 2HZ LYS 28 2HZ LYS 28 2.119 -5.081 7.737 189 3HZ LYS 28 3HZ LYS 28 0.858 -3.989 8.057 190 H GLY 29 H GLY 29 1.809 1.566 3.600 191 1HA GLY 29 2HA GLY 29 1.776 2.879 6.157 192 2HA GLY 29 1HA GLY 29 1.493 3.634 4.590 193 H PHE 30 H PHE 30 -0.660 3.090 3.563 194 HA PHE 30 HA PHE 30 -2.748 3.557 5.522 195 1HB PHE 30 2HB PHE 30 -2.778 3.396 2.501 196 2HB PHE 30 1HB PHE 30 -4.200 3.747 3.484 197 HD1 PHE 30 1HD PHE 30 -1.511 5.194 1.728 198 HD2 PHE 30 2HD PHE 30 -3.825 5.650 5.318 199 HE1 PHE 30 1HE PHE 30 -0.833 7.576 1.863 200 HE2 PHE 30 2HE PHE 30 -3.148 8.032 5.452 201 HZ PHE 30 HZ PHE 30 -1.653 8.994 3.724 202 H GLU 31 H GLU 31 -3.963 2.023 6.407 203 HA GLU 31 HA GLU 31 -3.691 -0.728 5.695 204 1HB GLU 31 2HB GLU 31 -5.666 0.682 7.504 205 2HB GLU 31 1HB GLU 31 -5.505 -1.070 7.372 206 1HG GLU 31 2HG GLU 31 -3.237 0.792 8.126 207 2HG GLU 31 1HG GLU 31 -4.216 -0.098 9.291 208 H LYS 32 H LYS 32 -5.874 1.823 4.787 209 HA LYS 32 HA LYS 32 -8.079 0.319 3.912 210 1HB LYS 32 2HB LYS 32 -7.821 2.878 4.126 211 2HB LYS 32 1HB LYS 32 -7.125 2.804 2.507 212 1HG LYS 32 2HG LYS 32 -9.213 1.471 1.839 213 2HG LYS 32 1HG LYS 32 -9.903 1.995 3.376 214 1HD LYS 32 2HD LYS 32 -8.786 3.881 1.282 215 2HD LYS 32 1HD LYS 32 -10.500 3.502 1.463 216 1HE LYS 32 2HE LYS 32 -10.243 4.236 3.908 217 2HE LYS 32 1HE LYS 32 -8.689 4.917 3.425 218 1HZ LYS 32 1HZ LYS 32 -11.395 5.744 2.685 219 2HZ LYS 32 2HZ LYS 32 -10.166 5.938 1.530 220 3HZ LYS 32 3HZ LYS 32 -10.037 6.690 3.048 221 H ASP 33 H ASP 33 -8.697 -0.317 1.778 222 HA ASP 33 HA ASP 33 -8.371 -1.344 -0.251 223 1HB ASP 33 2HB ASP 33 -7.321 0.964 -0.697 224 2HB ASP 33 1HB ASP 33 -5.769 0.154 -0.487 225 H ASN 34 H ASN 34 -5.592 -1.803 -1.319 226 HA ASN 34 HA ASN 34 -5.098 -4.263 0.196 227 1HB ASN 34 2HB ASN 34 -5.333 -4.219 -2.336 228 2HB ASN 34 1HB ASN 34 -3.775 -3.396 -2.376 229 1HD2 ASN 34 1HD2 ASN 34 -5.329 -6.413 -1.188 230 2HD2 ASN 34 2HD2 ASN 34 -3.913 -7.346 -1.265 231 H GLY 35 H GLY 35 -4.150 -1.216 0.559 232 1HA GLY 35 2HA GLY 35 -2.380 -0.882 2.258 233 2HA GLY 35 1HA GLY 35 -1.377 -1.959 1.291 234 H LEU 36 H LEU 36 -2.631 -0.635 -1.170 235 HA LEU 36 HA LEU 36 -2.030 1.000 -2.665 236 1HB LEU 36 2HB LEU 36 -1.605 2.740 -0.230 237 2HB LEU 36 1HB LEU 36 -2.003 3.259 -1.868 238 HG LEU 36 HG LEU 36 -3.771 1.628 -0.022 239 1HD1 LEU 36 1HD1 LEU 36 -3.549 4.112 0.413 240 2HD1 LEU 36 2HD1 LEU 36 -5.185 3.580 0.022 241 3HD1 LEU 36 3HD1 LEU 36 -4.202 4.385 -1.202 242 1HD2 LEU 36 1HD2 LEU 36 -3.980 2.392 -2.932 243 2HD2 LEU 36 2HD2 LEU 36 -5.432 2.133 -1.967 244 3HD2 LEU 36 3HD2 LEU 36 -4.270 0.823 -2.180 245 H LEU 37 H LEU 37 0.020 2.111 0.007 246 HA LEU 37 HA LEU 37 2.368 1.680 -1.730 247 1HB LEU 37 2HB LEU 37 1.935 4.014 -1.005 248 2HB LEU 37 1HB LEU 37 2.083 3.497 0.675 249 HG LEU 37 HG LEU 37 4.386 2.539 -0.049 250 1HD1 LEU 37 1HD1 LEU 37 4.357 4.710 -2.099 251 2HD1 LEU 37 2HD1 LEU 37 3.618 3.169 -2.533 252 3HD1 LEU 37 3HD1 LEU 37 5.312 3.228 -2.048 253 1HD2 LEU 37 1HD2 LEU 37 5.383 4.909 0.134 254 2HD2 LEU 37 2HD2 LEU 37 4.346 4.378 1.458 255 3HD2 LEU 37 3HD2 LEU 37 3.716 5.474 0.229 256 H PHE 38 H PHE 38 3.858 0.224 -1.174 257 HA PHE 38 HA PHE 38 3.677 -0.992 1.511 258 1HB PHE 38 2HB PHE 38 4.890 -2.093 -1.037 259 2HB PHE 38 1HB PHE 38 4.803 -2.936 0.510 260 HD1 PHE 38 1HD PHE 38 3.027 -2.040 -2.514 261 HD2 PHE 38 2HD PHE 38 2.529 -3.417 1.525 262 HE1 PHE 38 1HE PHE 38 0.735 -2.813 -3.059 263 HE2 PHE 38 2HE PHE 38 0.236 -4.190 0.979 264 HZ PHE 38 HZ PHE 38 -0.661 -3.888 -1.314 265 H ARG 39 H ARG 39 5.248 -0.560 2.913 266 HA ARG 39 HA ARG 39 7.594 0.914 2.086 267 1HB ARG 39 2HB ARG 39 6.388 1.378 4.221 268 2HB ARG 39 1HB ARG 39 6.908 -0.201 4.814 269 1HG ARG 39 2HG ARG 39 9.258 0.445 4.557 270 2HG ARG 39 1HG ARG 39 8.774 2.005 3.890 271 1HD ARG 39 2HD ARG 39 9.279 2.354 6.217 272 2HD ARG 39 1HD ARG 39 7.529 2.442 6.042 273 HE ARG 39 HE ARG 39 8.441 -0.210 6.691 274 1HH1 ARG 39 1HH2 ARG 39 7.666 2.930 7.920 275 2HH1 ARG 39 2HH2 ARG 39 7.267 2.363 9.507 276 1HH2 ARG 39 1HH1 ARG 39 7.922 -0.962 8.770 277 2HH2 ARG 39 2HH1 ARG 39 7.413 0.159 9.989 278 H ILE 40 H ILE 40 9.450 0.036 1.460 279 HA ILE 40 HA ILE 40 9.990 -2.781 2.176 280 HB ILE 40 HB ILE 40 11.131 -1.159 -0.112 281 1HG1 ILE 40 2HG1 ILE 40 9.042 -3.357 -0.177 282 2HG1 ILE 40 1HG1 ILE 40 8.655 -1.638 -0.255 283 1HG2 ILE 40 1HG2 ILE 40 11.794 -3.460 -0.906 284 2HG2 ILE 40 2HG2 ILE 40 11.295 -4.085 0.666 285 3HG2 ILE 40 3HG2 ILE 40 12.630 -2.937 0.557 286 1HD1 ILE 40 1HD1 ILE 40 10.634 -2.872 -2.166 287 2HD1 ILE 40 2HD1 ILE 40 9.732 -1.365 -2.337 288 3HD1 ILE 40 3HD1 ILE 40 8.903 -2.915 -2.495 289 H VAL 41 H VAL 41 11.719 -3.250 3.394 290 HA VAL 41 HA VAL 41 13.787 -1.172 3.759 291 HB VAL 41 HB VAL 41 12.600 -2.898 5.945 292 1HG1 VAL 41 1HG1 VAL 41 14.804 -0.833 5.852 293 2HG1 VAL 41 2HG1 VAL 41 14.873 -2.476 6.490 294 3HG1 VAL 41 3HG1 VAL 41 13.967 -1.232 7.352 295 1HG2 VAL 41 1HG2 VAL 41 11.150 -1.009 5.044 296 2HG2 VAL 41 2HG2 VAL 41 12.409 0.104 5.578 297 3HG2 VAL 41 3HG2 VAL 41 11.555 -0.891 6.757 298 H ASN 42 H ASN 42 15.806 -1.888 3.489 299 HA ASN 42 HA ASN 42 16.232 -4.803 3.326 300 1HB ASN 42 2HB ASN 42 16.795 -3.046 1.423 301 2HB ASN 42 1HB ASN 42 18.263 -2.833 2.375 302 1HD2 ASN 42 1HD2 ASN 42 17.183 -4.525 -0.226 303 2HD2 ASN 42 2HD2 ASN 42 18.114 -5.935 -0.070 304 H LYS 43 H LYS 43 16.753 -5.459 5.354 305 HA LYS 43 HA LYS 43 18.065 -4.029 7.338 306 1HB LYS 43 2HB LYS 43 18.113 -7.008 6.802 307 2HB LYS 43 1HB LYS 43 18.641 -6.248 8.304 308 1HG LYS 43 2HG LYS 43 16.372 -5.242 8.551 309 2HG LYS 43 1HG LYS 43 15.858 -6.117 7.108 310 1HD LYS 43 2HD LYS 43 16.499 -8.257 8.235 311 2HD LYS 43 1HD LYS 43 16.853 -7.338 9.699 312 1HE LYS 43 2HE LYS 43 14.178 -7.640 8.315 313 2HE LYS 43 1HE LYS 43 14.613 -8.164 9.941 314 1HZ LYS 43 1HZ LYS 43 13.396 -6.136 10.097 315 2HZ LYS 43 2HZ LYS 43 14.404 -5.371 8.963 316 3HZ LYS 43 3HZ LYS 43 15.012 -5.800 10.489 317 H LYS 44 H LYS 44 19.358 -5.579 4.512 318 HA LYS 44 HA LYS 44 22.021 -5.968 5.261 319 1HB LYS 44 2HB LYS 44 20.936 -6.680 3.095 320 2HB LYS 44 1HB LYS 44 21.102 -5.011 2.546 321 1HG LYS 44 2HG LYS 44 23.460 -5.104 2.587 322 2HG LYS 44 1HG LYS 44 23.472 -6.534 3.619 323 1HD LYS 44 2HD LYS 44 24.033 -7.132 1.295 324 2HD LYS 44 1HD LYS 44 22.506 -7.870 1.779 325 1HE LYS 44 2HE LYS 44 22.491 -6.773 -0.513 326 2HE LYS 44 1HE LYS 44 21.232 -6.218 0.591 327 1HZ LYS 44 1HZ LYS 44 22.991 -4.626 -0.719 328 2HZ LYS 44 2HZ LYS 44 23.683 -4.743 0.829 329 3HZ LYS 44 3HZ LYS 44 22.090 -4.179 0.647 330 H LYS 45 H LYS 45 20.833 -3.206 3.333 331 HA LYS 45 HA LYS 45 23.030 -1.585 4.440 332 1HB LYS 45 2HB LYS 45 21.245 -1.067 2.050 333 2HB LYS 45 1HB LYS 45 22.619 -0.080 2.550 334 1HG LYS 45 2HG LYS 45 22.804 -3.017 1.820 335 2HG LYS 45 1HG LYS 45 23.186 -1.693 0.719 336 1HD LYS 45 2HD LYS 45 24.761 -0.888 2.651 337 2HD LYS 45 1HD LYS 45 24.637 -2.559 3.205 338 1HE LYS 45 2HE LYS 45 25.691 -1.555 0.554 339 2HE LYS 45 1HE LYS 45 26.546 -2.499 1.775 340 1HZ LYS 45 1HZ LYS 45 25.913 -3.987 0.074 341 2HZ LYS 45 2HZ LYS 45 24.325 -3.387 0.024 342 3HZ LYS 45 3HZ LYS 45 24.857 -4.280 1.368 343 H LYS 46 H LYS 46 19.867 -2.217 5.072 344 HA LYS 46 HA LYS 46 18.190 -1.125 6.200 345 1HB LYS 46 2HB LYS 46 20.722 0.029 7.195 346 2HB LYS 46 1HB LYS 46 19.275 0.987 7.514 347 1HG LYS 46 2HG LYS 46 19.313 -1.976 8.063 348 2HG LYS 46 1HG LYS 46 19.939 -0.829 9.248 349 1HD LYS 46 2HD LYS 46 17.264 -0.255 8.052 350 2HD LYS 46 1HD LYS 46 17.367 -1.559 9.236 351 1HE LYS 46 2HE LYS 46 18.486 0.001 10.818 352 2HE LYS 46 1HE LYS 46 18.286 1.302 9.644 353 1HZ LYS 46 1HZ LYS 46 15.806 0.428 9.753 354 2HZ LYS 46 2HZ LYS 46 16.399 1.603 10.827 355 3HZ LYS 46 3HZ LYS 46 16.294 -0.022 11.313 356 H GLN 47 H GLN 47 18.581 -0.376 3.477 357 HA GLN 47 HA GLN 47 18.103 2.522 3.456 358 1HB GLN 47 2HB GLN 47 18.229 2.279 0.988 359 2HB GLN 47 1HB GLN 47 19.682 1.693 1.797 360 1HG GLN 47 2HG GLN 47 18.584 -0.624 1.755 361 2HG GLN 47 1HG GLN 47 17.425 0.066 0.621 362 1HE2 GLN 47 1HE2 GLN 47 20.014 1.841 -0.139 363 2HE2 GLN 47 2HE2 GLN 47 20.769 0.843 -1.284 364 H TRP 48 H TRP 48 16.105 3.316 3.397 365 HA TRP 48 HA TRP 48 13.839 1.527 3.202 366 1HB TRP 48 2HB TRP 48 14.070 4.512 3.619 367 2HB TRP 48 1HB TRP 48 12.532 3.653 3.559 368 HD1 TRP 48 HD TRP 48 15.150 1.540 5.073 369 HE1 TRP 48 1HE TRP 48 14.901 1.484 7.638 370 HE3 TRP 48 3HE TRP 48 11.833 5.369 5.723 371 HZ2 TRP 48 2HZ TRP 48 13.484 2.878 9.695 372 HZ3 TRP 48 3HZ TRP 48 11.052 5.983 7.993 373 HH2 TRP 48 HH TRP 48 11.872 4.744 9.978 374 H ALA 49 H ALA 49 12.323 1.440 1.586 375 HA ALA 49 HA ALA 49 12.643 3.195 -0.747 376 1HB ALA 49 1HB ALA 49 12.297 1.035 -2.160 377 2HB ALA 49 2HB ALA 49 12.911 0.200 -0.733 378 3HB ALA 49 3HB ALA 49 13.910 1.400 -1.550 379 H TYR 50 H TYR 50 10.753 3.500 -1.930 380 HA TYR 50 HA TYR 50 8.324 2.243 -0.801 381 1HB TYR 50 2HB TYR 50 8.779 5.115 -1.623 382 2HB TYR 50 1HB TYR 50 7.176 4.428 -1.354 383 HD1 TYR 50 1HD TYR 50 6.786 3.214 0.918 384 HD2 TYR 50 2HD TYR 50 10.008 5.960 0.188 385 HE1 TYR 50 1HE TYR 50 7.048 3.557 3.359 386 HE2 TYR 50 2HE TYR 50 10.269 6.303 2.629 387 HH TYR 50 HH TYR 50 9.758 5.137 4.713 388 H TYR 51 H TYR 51 6.932 1.379 -2.224 389 HA TYR 51 HA TYR 51 7.394 1.909 -5.099 390 1HB TYR 51 2HB TYR 51 8.080 -0.334 -4.706 391 2HB TYR 51 1HB TYR 51 6.688 -0.656 -3.670 392 HD1 TYR 51 1HD TYR 51 4.708 -1.539 -4.579 393 HD2 TYR 51 2HD TYR 51 7.602 0.290 -7.174 394 HE1 TYR 51 1HE TYR 51 3.406 -2.281 -6.556 395 HE2 TYR 51 2HE TYR 51 6.300 -0.452 -9.149 396 HH TYR 51 HH TYR 51 3.931 -2.779 -9.020 397 H ASN 52 H ASN 52 5.716 2.755 -6.154 398 HA ASN 52 HA ASN 52 3.138 2.949 -4.790 399 1HB ASN 52 2HB ASN 52 4.052 4.987 -5.764 400 2HB ASN 52 1HB ASN 52 4.156 4.213 -7.345 401 1HD2 ASN 52 1HD2 ASN 52 2.642 6.440 -7.423 402 2HD2 ASN 52 2HD2 ASN 52 0.982 6.086 -7.415 403 H ASP 53 H ASP 53 1.400 1.780 -5.307 404 HA ASP 53 HA ASP 53 1.576 -0.017 -7.635 405 1HB ASP 53 2HB ASP 53 -0.131 -1.344 -6.547 406 2HB ASP 53 1HB ASP 53 1.153 -1.012 -5.385 407 H THR 54 H THR 54 -0.465 2.428 -6.112 408 HA THR 54 HA THR 54 -2.693 2.269 -7.804 409 HB THR 54 HB THR 54 -2.948 4.749 -7.201 410 HG1 THR 54 1HG THR 54 -0.970 5.425 -6.714 411 1HG2 THR 54 1HG2 THR 54 -4.073 3.013 -5.933 412 2HG2 THR 54 2HG2 THR 54 -3.396 4.185 -4.802 413 3HG2 THR 54 3HG2 THR 54 -2.587 2.639 -5.058 414 H THR 55 H THR 55 -2.801 2.510 -9.935 415 HA THR 55 HA THR 55 -0.687 3.946 -11.353 416 HB THR 55 HB THR 55 -1.703 2.995 -13.374 417 HG1 THR 55 1HG THR 55 -3.814 2.868 -13.031 418 1HG2 THR 55 1HG2 THR 55 -1.469 0.966 -11.134 419 2HG2 THR 55 2HG2 THR 55 -0.116 1.632 -12.047 420 3HG2 THR 55 3HG2 THR 55 -1.317 0.628 -12.858 421 H GLN 56 H GLN 56 -3.185 5.041 -9.760 422 HA GLN 56 HA GLN 56 -3.928 7.015 -11.835 423 1HB GLN 56 2HB GLN 56 -6.078 7.158 -10.285 424 2HB GLN 56 1HB GLN 56 -5.960 5.961 -11.575 425 1HG GLN 56 2HG GLN 56 -4.982 5.349 -8.789 426 2HG GLN 56 1HG GLN 56 -6.675 5.129 -9.230 427 1HE2 GLN 56 1HE2 GLN 56 -6.511 4.111 -11.818 428 2HE2 GLN 56 2HE2 GLN 56 -5.664 2.641 -11.811 429 H TYR 57 H TYR 57 -2.642 6.412 -8.743 430 HA TYR 57 HA TYR 57 -2.587 9.309 -8.201 431 1HB TYR 57 2HB TYR 57 -2.882 7.397 -5.916 432 2HB TYR 57 1HB TYR 57 -3.322 9.102 -6.014 433 HD1 TYR 57 1HD TYR 57 -5.098 9.601 -8.008 434 HD2 TYR 57 2HD TYR 57 -4.639 5.874 -5.919 435 HE1 TYR 57 1HE TYR 57 -7.415 8.968 -8.627 436 HE2 TYR 57 2HE TYR 57 -6.956 5.242 -6.540 437 HH TYR 57 HH TYR 57 -9.225 7.311 -7.517 438 H GLU 58 H GLU 58 -0.694 10.062 -7.331 439 HA GLU 58 HA GLU 58 1.553 8.188 -7.311 440 1HB GLU 58 2HB GLU 58 2.919 10.278 -7.114 441 2HB GLU 58 1HB GLU 58 1.896 10.236 -8.550 442 1HG GLU 58 2HG GLU 58 0.908 11.495 -5.999 443 2HG GLU 58 1HG GLU 58 1.918 12.408 -7.120 444 H MET 59 H MET 59 2.961 7.953 -5.548 445 HA MET 59 HA MET 59 1.684 8.461 -2.951 446 1HB MET 59 2HB MET 59 3.762 6.532 -3.934 447 2HB MET 59 1HB MET 59 3.652 6.906 -2.213 448 1HG MET 59 2HG MET 59 2.257 4.909 -3.124 449 2HG MET 59 1HG MET 59 1.464 6.053 -2.041 450 1HE MET 59 1HE MET 59 -1.623 5.763 -4.058 451 2HE MET 59 2HE MET 59 -0.842 5.980 -2.494 452 3HE MET 59 3HE MET 59 -0.585 4.491 -3.400 453 H HIS 60 H HIS 60 2.341 10.109 -1.742 454 HA HIS 60 HA HIS 60 4.985 11.301 -2.269 455 1HB HIS 60 2HB HIS 60 2.458 12.373 -1.018 456 2HB HIS 60 1HB HIS 60 4.006 13.204 -0.859 457 HD1 HIS 60 1HD HIS 60 4.439 14.866 -2.656 458 HD2 HIS 60 2HD HIS 60 1.942 11.803 -3.986 459 HE1 HIS 60 1HE HIS 60 3.829 15.427 -5.050 460 HE2 HIS 60 2HE HIS 60 2.307 13.570 -5.874 461 H VAL 61 H VAL 61 6.580 11.030 -0.842 462 HA VAL 61 HA VAL 61 5.902 9.918 1.805 463 HB VAL 61 HB VAL 61 8.417 9.773 0.139 464 1HG1 VAL 61 1HG1 VAL 61 9.222 10.028 2.358 465 2HG1 VAL 61 2HG1 VAL 61 9.175 8.283 2.100 466 3HG1 VAL 61 3HG1 VAL 61 7.902 9.071 3.032 467 1HG2 VAL 61 1HG2 VAL 61 6.746 7.544 1.316 468 2HG2 VAL 61 2HG2 VAL 61 7.943 7.440 0.027 469 3HG2 VAL 61 3HG2 VAL 61 6.396 8.234 -0.268 470 H LEU 62 H LEU 62 6.227 11.103 3.572 471 HA LEU 62 HA LEU 62 8.231 13.248 3.542 472 1HB LEU 62 2HB LEU 62 6.061 14.293 2.945 473 2HB LEU 62 1HB LEU 62 5.370 13.667 4.443 474 HG LEU 62 HG LEU 62 7.232 14.883 5.675 475 1HD1 LEU 62 1HD1 LEU 62 8.057 16.897 4.212 476 2HD1 LEU 62 2HD1 LEU 62 7.684 15.832 2.857 477 3HD1 LEU 62 3HD1 LEU 62 8.870 15.338 4.066 478 1HD2 LEU 62 1HD2 LEU 62 6.126 17.136 5.364 479 2HD2 LEU 62 2HD2 LEU 62 4.998 15.814 5.667 480 3HD2 LEU 62 3HD2 LEU 62 5.210 16.434 4.031 481 H VAL 63 H VAL 63 9.483 12.024 4.963 482 HA VAL 63 HA VAL 63 8.285 11.527 7.621 483 HB VAL 63 HB VAL 63 10.677 10.167 6.360 484 1HG1 VAL 63 1HG1 VAL 63 10.411 8.608 8.272 485 2HG1 VAL 63 2HG1 VAL 63 9.113 9.621 8.903 486 3HG1 VAL 63 3HG1 VAL 63 10.759 10.249 8.815 487 1HG2 VAL 63 1HG2 VAL 63 8.343 9.722 5.358 488 2HG2 VAL 63 2HG2 VAL 63 7.955 8.969 6.905 489 3HG2 VAL 63 3HG2 VAL 63 9.255 8.315 5.908 490 H THR 64 H THR 64 9.114 12.562 9.330 491 HA THR 64 HA THR 64 11.585 14.132 8.927 492 HB THR 64 HB THR 64 9.356 14.586 10.926 493 HG1 THR 64 1HG THR 64 9.255 16.531 9.419 494 1HG2 THR 64 1HG2 THR 64 11.889 16.074 10.226 495 2HG2 THR 64 2HG2 THR 64 11.378 15.482 11.806 496 3HG2 THR 64 3HG2 THR 64 10.544 16.847 11.064 497 H PHE 65 H PHE 65 13.308 13.763 10.206 498 HA PHE 65 HA PHE 65 12.959 11.853 12.440 499 1HB PHE 65 2HB PHE 65 15.598 12.235 11.086 500 2HB PHE 65 1HB PHE 65 14.945 10.806 11.887 501 HD1 PHE 65 1HD PHE 65 13.551 9.232 10.716 502 HD2 PHE 65 2HD PHE 65 14.791 12.881 8.819 503 HE1 PHE 65 1HE PHE 65 12.746 8.372 8.533 504 HE2 PHE 65 2HE PHE 65 13.987 12.020 6.636 505 HZ PHE 65 HZ PHE 65 12.965 9.765 6.494 506 H ASN 66 H ASN 66 14.591 12.071 14.179 507 HA ASN 66 HA ASN 66 14.815 14.847 14.978 508 1HB ASN 66 2HB ASN 66 14.207 12.911 16.517 509 2HB ASN 66 1HB ASN 66 15.904 12.440 16.438 510 1HD2 ASN 66 1HD2 ASN 66 17.157 13.330 18.078 511 2HD2 ASN 66 2HD2 ASN 66 16.819 14.787 18.882 512 H GLU 67 H GLU 67 16.793 15.857 15.623 513 HA GLU 67 HA GLU 67 18.841 15.844 13.792 514 1HB GLU 67 2HB GLU 67 18.750 17.649 15.326 515 2HB GLU 67 1HB GLU 67 18.838 16.572 16.721 516 1HG GLU 67 2HG GLU 67 21.119 16.078 16.343 517 2HG GLU 67 1HG GLU 67 21.064 16.686 14.689 518 H ASP 68 H ASP 68 18.760 14.086 16.892 519 HA ASP 68 HA ASP 68 21.268 12.767 16.404 520 1HB ASP 68 2HB ASP 68 20.390 13.246 18.686 521 2HB ASP 68 1HB ASP 68 19.106 12.073 18.405 522 H CYS 69 H CYS 69 20.576 12.016 14.202 523 HA CYS 69 HA CYS 69 19.720 9.245 14.402 524 1HB CYS 69 2HB CYS 69 18.236 11.136 12.566 525 2HB CYS 69 1HB CYS 69 17.924 9.416 12.800 526 HG CYS 69 HG CYS 69 17.503 10.272 15.446 527 H ASP 70 H ASP 70 21.248 8.197 13.314 528 HA ASP 70 HA ASP 70 22.836 9.501 11.287 529 1HB ASP 70 2HB ASP 70 23.689 7.779 12.945 530 2HB ASP 70 1HB ASP 70 22.830 6.564 11.999 531 H ILE 71 H ILE 71 21.108 9.993 9.781 532 HA ILE 71 HA ILE 71 20.347 7.650 8.141 533 HB ILE 71 HB ILE 71 18.294 8.891 7.532 534 1HG1 ILE 71 2HG1 ILE 71 19.272 10.845 9.643 535 2HG1 ILE 71 1HG1 ILE 71 19.166 11.169 7.911 536 1HG2 ILE 71 1HG2 ILE 71 18.356 7.283 9.457 537 2HG2 ILE 71 2HG2 ILE 71 17.135 8.542 9.641 538 3HG2 ILE 71 3HG2 ILE 71 18.652 8.647 10.534 539 1HD1 ILE 71 1HD1 ILE 71 16.916 10.721 9.873 540 2HD1 ILE 71 2HD1 ILE 71 16.673 10.533 8.136 541 3HD1 ILE 71 3HD1 ILE 71 17.173 12.092 8.793 542 H LYS 72 H LYS 72 20.151 8.045 5.855 543 HA LYS 72 HA LYS 72 21.617 10.432 4.914 544 1HB LYS 72 2HB LYS 72 21.976 7.556 4.053 545 2HB LYS 72 1HB LYS 72 22.602 8.930 3.140 546 1HG LYS 72 2HG LYS 72 23.968 9.633 5.013 547 2HG LYS 72 1HG LYS 72 23.241 8.410 6.056 548 1HD LYS 72 2HD LYS 72 25.447 7.667 5.236 549 2HD LYS 72 1HD LYS 72 24.161 6.630 4.617 550 1HE LYS 72 2HE LYS 72 24.307 7.507 2.458 551 2HE LYS 72 1HE LYS 72 25.042 9.012 3.013 552 1HZ LYS 72 1HZ LYS 72 27.000 8.119 2.546 553 2HZ LYS 72 2HZ LYS 72 26.298 6.613 2.189 554 3HZ LYS 72 3HZ LYS 72 26.753 6.985 3.784 555 H ALA 73 H ALA 73 21.281 10.803 2.534 556 HA ALA 73 HA ALA 73 18.449 10.302 1.879 557 1HB ALA 73 1HB ALA 73 18.353 12.386 0.978 558 2HB ALA 73 2HB ALA 73 19.976 12.274 0.294 559 3HB ALA 73 3HB ALA 73 19.763 12.677 1.998 560 H LEU 74 H LEU 74 17.879 9.239 0.056 561 HA LEU 74 HA LEU 74 20.073 8.295 -1.687 562 1HB LEU 74 2HB LEU 74 17.390 6.954 -1.359 563 2HB LEU 74 1HB LEU 74 18.874 6.280 -2.035 564 HG LEU 74 HG LEU 74 18.591 7.176 0.847 565 1HD1 LEU 74 1HD1 LEU 74 18.192 4.934 1.464 566 2HD1 LEU 74 2HD1 LEU 74 18.704 4.316 -0.106 567 3HD1 LEU 74 3HD1 LEU 74 17.162 5.159 0.051 568 1HD2 LEU 74 1HD2 LEU 74 20.714 5.731 -0.752 569 2HD2 LEU 74 2HD2 LEU 74 20.659 5.656 1.010 570 3HD2 LEU 74 3HD2 LEU 74 20.885 7.207 0.200 571 H GLY 75 H GLY 75 19.176 7.637 -3.929 572 1HA GLY 75 2HA GLY 75 18.527 8.539 -5.963 573 2HA GLY 75 1HA GLY 75 16.953 8.584 -5.174 574 H LYS 76 H LYS 76 16.154 10.495 -5.911 575 HA LYS 76 HA LYS 76 17.811 12.903 -5.799 576 1HB LYS 76 2HB LYS 76 15.742 13.955 -6.833 577 2HB LYS 76 1HB LYS 76 16.533 12.712 -7.803 578 1HG LYS 76 2HG LYS 76 14.703 11.398 -7.747 579 2HG LYS 76 1HG LYS 76 14.588 11.539 -5.993 580 1HD LYS 76 2HD LYS 76 13.333 13.570 -6.143 581 2HD LYS 76 1HD LYS 76 13.684 13.737 -7.864 582 1HE LYS 76 2HE LYS 76 12.331 11.808 -8.398 583 2HE LYS 76 1HE LYS 76 12.120 11.424 -6.689 584 1HZ LYS 76 1HZ LYS 76 11.308 14.031 -6.948 585 2HZ LYS 76 2HZ LYS 76 10.305 12.672 -6.763 586 3HZ LYS 76 3HZ LYS 76 10.672 13.255 -8.316 587 H THR 77 H THR 77 16.150 11.233 -3.591 588 HA THR 77 HA THR 77 14.303 12.899 -2.382 589 HB THR 77 HB THR 77 16.334 11.139 -0.987 590 HG1 THR 77 1HG THR 77 15.266 9.692 -2.071 591 1HG2 THR 77 1HG2 THR 77 14.411 10.993 0.690 592 2HG2 THR 77 2HG2 THR 77 13.715 12.383 -0.141 593 3HG2 THR 77 3HG2 THR 77 15.288 12.522 0.644 594 H LYS 78 H LYS 78 14.427 14.893 -1.590 595 HA LYS 78 HA LYS 78 16.998 16.170 -1.205 596 1HB LYS 78 2HB LYS 78 14.963 17.295 -2.217 597 2HB LYS 78 1HB LYS 78 14.270 17.314 -0.595 598 1HG LYS 78 2HG LYS 78 16.419 18.468 0.162 599 2HG LYS 78 1HG LYS 78 16.793 18.682 -1.548 600 1HD LYS 78 2HD LYS 78 14.233 19.631 -0.229 601 2HD LYS 78 1HD LYS 78 15.629 20.660 -0.549 602 1HE LYS 78 2HE LYS 78 15.421 19.863 -2.997 603 2HE LYS 78 1HE LYS 78 13.815 19.297 -2.538 604 1HZ LYS 78 1HZ LYS 78 14.861 22.054 -2.581 605 2HZ LYS 78 2HZ LYS 78 13.536 21.649 -1.597 606 3HZ LYS 78 3HZ LYS 78 13.442 21.442 -3.281 607 H LEU 79 H LEU 79 18.044 16.418 0.667 608 HA LEU 79 HA LEU 79 16.563 15.893 3.174 609 1HB LEU 79 2HB LEU 79 18.010 13.999 2.722 610 2HB LEU 79 1HB LEU 79 19.384 15.072 2.450 611 HG LEU 79 HG LEU 79 19.290 15.834 4.771 612 1HD1 LEU 79 1HD1 LEU 79 17.670 14.388 6.261 613 2HD1 LEU 79 2HD1 LEU 79 16.773 14.197 4.755 614 3HD1 LEU 79 3HD1 LEU 79 17.049 15.807 5.418 615 1HD2 LEU 79 1HD2 LEU 79 20.664 13.899 4.464 616 2HD2 LEU 79 2HD2 LEU 79 19.262 12.837 4.351 617 3HD2 LEU 79 3HD2 LEU 79 19.690 13.570 5.897 618 H GLU 80 H GLU 80 16.665 17.469 4.643 619 HA GLU 80 HA GLU 80 18.975 19.260 4.728 620 1HB GLU 80 2HB GLU 80 17.615 21.277 4.620 621 2HB GLU 80 1HB GLU 80 17.374 20.324 3.154 622 1HG GLU 80 2HG GLU 80 15.339 19.311 4.245 623 2HG GLU 80 1HG GLU 80 15.537 20.470 5.557 624 H GLN 81 H GLN 81 19.048 20.545 6.682 625 HA GLN 81 HA GLN 81 17.695 19.179 8.907 626 1HB GLN 81 2HB GLN 81 20.211 19.445 8.864 627 2HB GLN 81 1HB GLN 81 19.956 21.179 9.065 628 1HG GLN 81 2HG GLN 81 18.727 20.779 11.150 629 2HG GLN 81 1HG GLN 81 18.917 19.038 10.944 630 1HE2 GLN 81 1HE2 GLN 81 19.962 19.895 13.278 631 2HE2 GLN 81 2HE2 GLN 81 21.652 20.033 13.208 632 H GLN 82 H GLN 82 16.643 20.349 10.558 633 HA GLN 82 HA GLN 82 15.481 22.880 9.626 634 1HB GLN 82 2HB GLN 82 14.643 21.240 12.021 635 2HB GLN 82 1HB GLN 82 13.712 22.482 11.181 636 1HG GLN 82 2HG GLN 82 14.544 19.786 10.074 637 2HG GLN 82 1HG GLN 82 12.907 20.300 10.477 638 1HE2 GLN 82 1HE2 GLN 82 14.573 19.671 7.810 639 2HE2 GLN 82 2HE2 GLN 82 14.043 20.912 6.781 640 H GLU 83 H GLU 83 14.900 24.398 11.558 641 HA GLU 83 HA GLU 83 17.396 25.271 12.680 642 1HB GLU 83 2HB GLU 83 15.540 26.796 11.917 643 2HB GLU 83 1HB GLU 83 14.623 26.283 13.334 644 1HG GLU 83 2HG GLU 83 15.768 28.321 13.922 645 2HG GLU 83 1HG GLU 83 16.584 26.998 14.754 646 H ASN 84 H ASN 84 14.520 23.631 13.885 647 HA ASN 84 HA ASN 84 15.315 23.793 16.652 648 1HB ASN 84 2HB ASN 84 13.376 22.460 17.103 649 2HB ASN 84 1HB ASN 84 12.930 23.610 15.843 650 1HD2 ASN 84 1HD2 ASN 84 14.862 21.637 14.144 651 2HD2 ASN 84 2HD2 ASN 84 13.751 20.455 13.644 652 H GLY 85 H GLY 85 16.585 22.128 14.140 653 1HA GLY 85 2HA GLY 85 18.283 20.529 14.214 654 2HA GLY 85 1HA GLY 85 17.898 20.235 15.908 655 H GLU 86 H GLU 86 16.454 19.818 12.671 656 HA GLU 86 HA GLU 86 15.803 17.046 13.374 657 1HB GLU 86 2HB GLU 86 13.794 19.117 12.475 658 2HB GLU 86 1HB GLU 86 13.503 17.381 12.360 659 1HG GLU 86 2HG GLU 86 13.899 17.166 14.797 660 2HG GLU 86 1HG GLU 86 14.137 18.910 14.900 661 H TRP 87 H TRP 87 15.371 15.710 11.522 662 HA TRP 87 HA TRP 87 16.520 16.820 9.034 663 1HB TRP 87 2HB TRP 87 16.526 14.012 10.151 664 2HB TRP 87 1HB TRP 87 17.014 14.398 8.502 665 HD1 TRP 87 HD TRP 87 18.221 14.435 12.041 666 HE1 TRP 87 1HE TRP 87 20.606 15.407 12.148 667 HE3 TRP 87 3HE TRP 87 18.647 16.252 7.287 668 HZ2 TRP 87 2HZ TRP 87 22.451 16.776 10.443 669 HZ3 TRP 87 3HZ TRP 87 20.728 17.383 6.556 670 HH2 TRP 87 HH TRP 87 22.629 17.644 8.125 671 H VAL 88 H VAL 88 15.394 16.678 7.159 672 HA VAL 88 HA VAL 88 12.813 15.237 7.221 673 HB VAL 88 HB VAL 88 13.374 17.983 6.077 674 1HG1 VAL 88 1HG1 VAL 88 11.894 16.898 4.550 675 2HG1 VAL 88 2HG1 VAL 88 10.861 17.866 5.601 676 3HG1 VAL 88 3HG1 VAL 88 10.996 16.127 5.857 677 1HG2 VAL 88 1HG2 VAL 88 11.357 17.137 8.171 678 2HG2 VAL 88 2HG2 VAL 88 11.857 18.776 7.752 679 3HG2 VAL 88 3HG2 VAL 88 12.976 17.699 8.587 680 H ALA 89 H ALA 89 12.332 14.042 5.453 681 HA ALA 89 HA ALA 89 13.996 14.364 3.041 682 1HB ALA 89 1HB ALA 89 14.963 12.532 4.388 683 2HB ALA 89 2HB ALA 89 14.280 11.938 2.875 684 3HB ALA 89 3HB ALA 89 13.398 11.717 4.386 685 H SER 90 H SER 90 12.557 14.917 1.526 686 HA SER 90 HA SER 90 10.003 13.426 1.425 687 1HB SER 90 2HB SER 90 8.924 15.389 0.582 688 2HB SER 90 1HB SER 90 9.836 15.882 2.006 689 HG SER 90 HG SER 90 9.995 16.984 -0.284 690 H VAL 91 H VAL 91 9.349 12.606 -0.521 691 HA VAL 91 HA VAL 91 10.607 13.340 -3.005 692 HB VAL 91 HB VAL 91 12.278 11.785 -1.888 693 1HG1 VAL 91 1HG1 VAL 91 10.399 10.321 -0.947 694 2HG1 VAL 91 2HG1 VAL 91 11.752 9.465 -1.690 695 3HG1 VAL 91 3HG1 VAL 91 10.238 9.660 -2.574 696 1HG2 VAL 91 1HG2 VAL 91 12.434 12.064 -4.253 697 2HG2 VAL 91 2HG2 VAL 91 10.965 11.131 -4.534 698 3HG2 VAL 91 3HG2 VAL 91 12.433 10.320 -3.991 699 H VAL 92 H VAL 92 9.344 12.799 -4.725 700 HA VAL 92 HA VAL 92 6.795 11.488 -4.101 701 HB VAL 92 HB VAL 92 7.683 13.050 -6.538 702 1HG1 VAL 92 1HG1 VAL 92 5.976 11.517 -7.222 703 2HG1 VAL 92 2HG1 VAL 92 5.163 13.059 -6.952 704 3HG1 VAL 92 3HG1 VAL 92 5.053 11.781 -5.742 705 1HG2 VAL 92 1HG2 VAL 92 7.487 14.535 -4.664 706 2HG2 VAL 92 2HG2 VAL 92 6.021 13.734 -4.100 707 3HG2 VAL 92 3HG2 VAL 92 5.987 14.697 -5.577 708 H VAL 93 H VAL 93 6.172 9.576 -4.945 709 HA VAL 93 HA VAL 93 8.108 8.193 -6.702 710 HB VAL 93 HB VAL 93 6.043 6.976 -4.853 711 1HG1 VAL 93 1HG1 VAL 93 6.617 5.540 -6.745 712 2HG1 VAL 93 2HG1 VAL 93 7.373 4.908 -5.282 713 3HG1 VAL 93 3HG1 VAL 93 8.336 5.804 -6.456 714 1HG2 VAL 93 1HG2 VAL 93 8.003 6.400 -3.445 715 2HG2 VAL 93 2HG2 VAL 93 7.804 8.146 -3.591 716 3HG2 VAL 93 3HG2 VAL 93 9.043 7.317 -4.534 717 H TYR 94 H TYR 94 7.445 7.396 -8.627 718 HA TYR 94 HA TYR 94 4.682 8.000 -9.433 719 1HB TYR 94 2HB TYR 94 7.200 7.443 -11.011 720 2HB TYR 94 1HB TYR 94 5.605 7.583 -11.753 721 HD1 TYR 94 1HD TYR 94 4.212 9.723 -10.896 722 HD2 TYR 94 2HD TYR 94 8.493 9.374 -10.890 723 HE1 TYR 94 1HE TYR 94 4.413 12.194 -10.846 724 HE2 TYR 94 2HE TYR 94 8.695 11.845 -10.846 725 HH TYR 94 HH TYR 94 7.134 13.799 -10.008 726 HA PRO 95 HA PRO 95 3.366 3.834 -9.462 727 1HB PRO 95 2HB PRO 95 1.950 3.762 -11.849 728 2HB PRO 95 1HB PRO 95 1.330 4.415 -10.321 729 1HG PRO 95 2HG PRO 95 2.478 5.841 -12.665 730 2HG PRO 95 1HG PRO 95 1.125 6.295 -11.615 731 1HD PRO 95 2HD PRO 95 3.545 7.465 -11.368 732 2HD PRO 95 1HD PRO 95 2.518 7.149 -9.952 733 H CYS 96 H CYS 96 3.983 1.823 -10.215 734 HA CYS 96 HA CYS 96 5.218 0.253 -11.349 735 1HB CYS 96 2HB CYS 96 5.175 2.106 -13.727 736 2HB CYS 96 1HB CYS 96 5.239 0.343 -13.712 737 HG CYS 96 HG CYS 96 2.744 1.357 -14.158 738 H GLU 97 H GLU 97 6.450 2.662 -9.999 739 HA GLU 97 HA GLU 97 9.157 2.235 -11.045 740 1HB GLU 97 2HB GLU 97 7.942 4.971 -10.588 741 2HB GLU 97 1HB GLU 97 9.639 4.658 -10.953 742 1HG GLU 97 2HG GLU 97 8.938 3.549 -13.076 743 2HG GLU 97 1HG GLU 97 7.270 4.000 -12.724 744 H THR 98 H THR 98 10.485 1.773 -9.417 745 HA THR 98 HA THR 98 9.689 2.554 -6.684 746 HB THR 98 HB THR 98 11.797 0.509 -7.313 747 HG1 THR 98 1HG THR 98 10.064 -0.204 -8.477 748 1HG2 THR 98 1HG2 THR 98 10.748 -0.442 -5.173 749 2HG2 THR 98 2HG2 THR 98 9.890 1.093 -5.046 750 3HG2 THR 98 3HG2 THR 98 11.653 1.062 -5.007 751 H GLU 99 H GLU 99 10.848 4.042 -5.643 752 HA GLU 99 HA GLU 99 13.549 4.680 -6.672 753 1HB GLU 99 2HB GLU 99 11.523 6.563 -5.441 754 2HB GLU 99 1HB GLU 99 13.142 7.004 -5.984 755 1HG GLU 99 2HG GLU 99 11.017 5.792 -7.772 756 2HG GLU 99 1HG GLU 99 11.359 7.519 -7.669 757 H MET 100 H MET 100 15.040 5.567 -5.072 758 HA MET 100 HA MET 100 14.859 4.113 -2.565 759 1HB MET 100 2HB MET 100 17.028 6.004 -3.497 760 2HB MET 100 1HB MET 100 17.146 4.794 -2.219 761 1HG MET 100 2HG MET 100 16.676 4.229 -5.161 762 2HG MET 100 1HG MET 100 18.178 3.949 -4.281 763 1HE MET 100 1HE MET 100 18.375 2.787 -2.260 764 2HE MET 100 2HE MET 100 17.677 1.200 -1.944 765 3HE MET 100 3HE MET 100 16.876 2.645 -1.331 766 H PHE 101 H PHE 101 15.069 5.093 -0.489 767 HA PHE 101 HA PHE 101 14.039 7.866 -0.406 768 1HB PHE 101 2HB PHE 101 12.437 6.152 0.415 769 2HB PHE 101 1HB PHE 101 13.619 5.662 1.628 770 HD1 PHE 101 1HD PHE 101 12.750 9.077 0.372 771 HD2 PHE 101 2HD PHE 101 12.683 6.343 3.684 772 HE1 PHE 101 1HE PHE 101 11.933 10.891 1.853 773 HE2 PHE 101 2HE PHE 101 11.889 8.163 5.170 774 HZ PHE 101 HZ PHE 101 11.506 10.434 4.253 775 H ILE 102 H ILE 102 14.868 6.341 2.539 776 HA ILE 102 HA ILE 102 17.434 7.810 2.628 777 HB ILE 102 HB ILE 102 16.989 8.416 4.923 778 1HG1 ILE 102 2HG1 ILE 102 14.542 7.848 5.719 779 2HG1 ILE 102 1HG1 ILE 102 14.676 6.534 4.549 780 1HG2 ILE 102 1HG2 ILE 102 14.639 8.936 3.081 781 2HG2 ILE 102 2HG2 ILE 102 16.066 9.949 3.291 782 3HG2 ILE 102 3HG2 ILE 102 14.899 9.786 4.603 783 1HD1 ILE 102 1HD1 ILE 102 17.087 6.732 6.146 784 2HD1 ILE 102 2HD1 ILE 102 16.010 5.353 5.926 785 3HD1 ILE 102 3HD1 ILE 102 15.668 6.548 7.177 786 H GLU 103 H GLU 103 19.035 6.933 4.067 787 HA GLU 103 HA GLU 103 18.587 4.133 4.876 788 1HB GLU 103 2HB GLU 103 19.735 4.010 2.743 789 2HB GLU 103 1HB GLU 103 20.941 5.177 3.286 790 1HG GLU 103 2HG GLU 103 20.494 2.676 4.883 791 2HG GLU 103 1HG GLU 103 21.467 2.601 3.416 792 H GLY 104 H GLY 104 20.100 3.370 6.492 793 1HA GLY 104 2HA GLY 104 22.016 3.958 7.954 794 2HA GLY 104 1HA GLY 104 21.315 5.571 8.059 795 H ARG 105 H ARG 105 21.337 5.269 10.383 796 HA ARG 105 HA ARG 105 19.466 3.291 11.464 797 1HB ARG 105 2HB ARG 105 21.732 3.724 12.506 798 2HB ARG 105 1HB ARG 105 21.123 5.307 12.990 799 1HG ARG 105 2HG ARG 105 19.266 4.212 14.208 800 2HG ARG 105 1HG ARG 105 19.909 2.634 13.751 801 1HD ARG 105 2HD ARG 105 22.051 3.233 14.897 802 2HD ARG 105 1HD ARG 105 21.298 4.726 15.448 803 HE ARG 105 HE ARG 105 20.803 2.057 16.474 804 1HH1 ARG 105 1HH2 ARG 105 19.660 5.302 16.100 805 2HH1 ARG 105 2HH2 ARG 105 18.608 5.237 17.475 806 1HH2 ARG 105 1HH1 ARG 105 19.430 1.966 18.282 807 2HH2 ARG 105 2HH1 ARG 105 18.477 3.348 18.710 808 H VAL 106 H VAL 106 17.551 3.797 12.450 809 HA VAL 106 HA VAL 106 16.747 6.644 12.412 810 HB VAL 106 HB VAL 106 14.836 4.362 11.938 811 1HG1 VAL 106 1HG1 VAL 106 13.380 6.069 11.156 812 2HG1 VAL 106 2HG1 VAL 106 14.694 7.236 11.014 813 3HG1 VAL 106 3HG1 VAL 106 14.121 6.744 12.607 814 1HG2 VAL 106 1HG2 VAL 106 16.538 5.890 9.952 815 2HG2 VAL 106 2HG2 VAL 106 15.065 5.039 9.490 816 3HG2 VAL 106 3HG2 VAL 106 16.428 4.142 10.156 817 H ASN 107 H ASN 107 15.780 7.417 14.207 818 HA ASN 107 HA ASN 107 14.709 5.588 16.217 819 1HB ASN 107 2HB ASN 107 16.127 7.102 17.906 820 2HB ASN 107 1HB ASN 107 16.762 5.600 17.237 821 1HD2 ASN 107 1HD2 ASN 107 17.766 8.646 17.850 822 2HD2 ASN 107 2HD2 ASN 107 18.832 8.885 16.551 823 H GLY 108 H GLY 108 12.775 6.412 16.677 824 1HA GLY 108 2HA GLY 108 11.090 7.913 17.129 825 2HA GLY 108 1HA GLY 108 12.353 8.962 17.770 826 H PHE 109 H PHE 109 10.212 8.364 15.147 827 HA PHE 109 HA PHE 109 10.923 10.923 13.952 828 1HB PHE 109 2HB PHE 109 11.120 9.921 11.675 829 2HB PHE 109 1HB PHE 109 12.428 9.444 12.758 830 HD1 PHE 109 1HD PHE 109 12.284 7.205 13.951 831 HD2 PHE 109 2HD PHE 109 9.654 8.302 10.736 832 HE1 PHE 109 1HE PHE 109 11.679 4.821 13.632 833 HE2 PHE 109 2HE PHE 109 9.051 5.918 10.416 834 HZ PHE 109 HZ PHE 109 10.062 4.178 11.864 835 H LYS 110 H LYS 110 9.340 11.656 12.396 836 HA LYS 110 HA LYS 110 6.704 10.385 12.807 837 1HB LYS 110 2HB LYS 110 7.406 13.244 12.091 838 2HB LYS 110 1HB LYS 110 5.767 12.612 12.253 839 1HG LYS 110 2HG LYS 110 6.415 11.890 14.611 840 2HG LYS 110 1HG LYS 110 7.874 12.860 14.409 841 1HD LYS 110 2HD LYS 110 5.040 13.902 14.115 842 2HD LYS 110 1HD LYS 110 6.064 14.138 15.532 843 1HE LYS 110 2HE LYS 110 6.430 16.112 14.326 844 2HE LYS 110 1HE LYS 110 7.783 15.105 13.812 845 1HZ LYS 110 1HZ LYS 110 5.746 14.439 12.117 846 2HZ LYS 110 2HZ LYS 110 7.065 15.448 11.754 847 3HZ LYS 110 3HZ LYS 110 5.597 16.120 12.282 848 H SER 111 H SER 111 5.568 9.669 11.093 849 HA SER 111 HA SER 111 6.724 10.140 8.411 850 1HB SER 111 2HB SER 111 5.132 7.736 9.319 851 2HB SER 111 1HB SER 111 5.953 7.943 7.775 852 HG SER 111 HG SER 111 7.352 8.177 10.211 853 H LYS 112 H LYS 112 5.448 10.943 6.858 854 HA LYS 112 HA LYS 112 2.527 10.928 7.247 855 1HB LYS 112 2HB LYS 112 3.446 13.128 7.998 856 2HB LYS 112 1HB LYS 112 4.098 13.365 6.375 857 1HG LYS 112 2HG LYS 112 1.818 13.164 5.436 858 2HG LYS 112 1HG LYS 112 1.171 12.959 7.065 859 1HD LYS 112 2HD LYS 112 2.143 15.189 7.672 860 2HD LYS 112 1HD LYS 112 2.612 15.397 5.985 861 1HE LYS 112 2HE LYS 112 -0.231 14.884 6.899 862 2HE LYS 112 1HE LYS 112 0.421 16.485 6.556 863 1HZ LYS 112 1HZ LYS 112 -0.238 16.079 4.478 864 2HZ LYS 112 2HZ LYS 112 -0.396 14.408 4.741 865 3HZ LYS 112 3HZ LYS 112 1.122 15.072 4.367 866 H MET 113 H MET 113 1.537 10.169 5.487 867 HA MET 113 HA MET 113 2.846 10.526 2.864 868 1HB MET 113 2HB MET 113 1.636 7.997 3.992 869 2HB MET 113 1HB MET 113 2.026 8.217 2.286 870 1HG MET 113 2HG MET 113 4.386 8.769 2.976 871 2HG MET 113 1HG MET 113 3.952 8.308 4.622 872 1HE MET 113 1HE MET 113 2.217 5.816 4.631 873 2HE MET 113 2HE MET 113 3.681 6.213 5.527 874 3HE MET 113 3HE MET 113 3.546 4.652 4.723 875 H ASP 114 H ASP 114 1.295 10.013 1.044 876 HA ASP 114 HA ASP 114 -1.525 10.228 1.535 877 1HB ASP 114 2HB ASP 114 -0.583 12.597 1.894 878 2HB ASP 114 1HB ASP 114 -0.292 12.606 0.155 879 H ALA 115 H ALA 115 -2.705 10.588 -0.617 880 HA ALA 115 HA ALA 115 -1.115 9.476 -2.848 881 1HB ALA 115 1HB ALA 115 -3.174 8.176 -3.483 882 2HB ALA 115 2HB ALA 115 -3.872 8.638 -1.931 883 3HB ALA 115 3HB ALA 115 -2.415 7.646 -1.982 884 H LEU 116 H LEU 116 -0.936 11.479 -3.859 885 HA LEU 116 HA LEU 116 -3.339 13.023 -4.431 886 1HB LEU 116 2HB LEU 116 -0.543 13.540 -5.449 887 2HB LEU 116 1HB LEU 116 -1.869 14.691 -5.288 888 HG LEU 116 HG LEU 116 -0.582 13.241 -2.957 889 1HD1 LEU 116 1HD1 LEU 116 0.654 15.224 -2.504 890 2HD1 LEU 116 2HD1 LEU 116 -0.271 16.160 -3.677 891 3HD1 LEU 116 3HD1 LEU 116 0.872 14.936 -4.230 892 1HD2 LEU 116 1HD2 LEU 116 -2.781 13.863 -2.336 893 2HD2 LEU 116 2HD2 LEU 116 -2.704 15.371 -3.246 894 3HD2 LEU 116 3HD2 LEU 116 -1.783 15.195 -1.752 895 HA PRO 117 HA PRO 117 -3.838 11.468 -8.525 896 1HB PRO 117 2HB PRO 117 -4.694 13.994 -9.621 897 2HB PRO 117 1HB PRO 117 -5.699 12.651 -9.044 898 1HG PRO 117 2HG PRO 117 -5.580 15.075 -7.827 899 2HG PRO 117 1HG PRO 117 -5.964 13.564 -6.986 900 1HD PRO 117 2HD PRO 117 -3.318 15.012 -7.125 901 2HD PRO 117 1HD PRO 117 -4.144 14.331 -5.706 902 H LEU 118 H LEU 118 -2.587 11.093 -10.283 903 HA LEU 118 HA LEU 118 -0.116 12.324 -10.681 904 1HB LEU 118 2HB LEU 118 -1.800 10.868 -12.734 905 2HB LEU 118 1HB LEU 118 -0.064 11.162 -12.837 906 HG LEU 118 HG LEU 118 -1.215 9.758 -10.438 907 1HD1 LEU 118 1HD1 LEU 118 -2.060 8.550 -12.418 908 2HD1 LEU 118 2HD1 LEU 118 -0.825 7.606 -11.586 909 3HD1 LEU 118 3HD1 LEU 118 -0.424 8.471 -13.070 910 1HD2 LEU 118 1HD2 LEU 118 1.426 9.363 -11.859 911 2HD2 LEU 118 2HD2 LEU 118 1.007 8.927 -10.203 912 3HD2 LEU 118 3HD2 LEU 118 1.198 10.623 -10.646 913 H SER 119 H SER 119 0.391 14.279 -11.409 914 HA SER 119 HA SER 119 -1.613 15.828 -12.886 915 1HB SER 119 2HB SER 119 -0.277 16.691 -10.845 916 2HB SER 119 1HB SER 119 1.068 16.848 -11.971 917 HG SER 119 HG SER 119 -1.478 18.088 -12.056 918 H GLU 120 H GLU 120 0.131 17.585 -14.203 919 HA GLU 120 HA GLU 120 0.576 16.191 -16.629 920 1HB GLU 120 2HB GLU 120 1.506 18.261 -17.449 921 2HB GLU 120 1HB GLU 120 0.121 18.650 -16.428 922 1HG GLU 120 2HG GLU 120 1.750 18.946 -14.508 923 2HG GLU 120 1HG GLU 120 3.052 18.819 -15.689 924 H GLU 121 H GLU 121 2.617 16.945 -13.889 925 HA GLU 121 HA GLU 121 5.154 16.607 -14.979 926 1HB GLU 121 2HB GLU 121 4.751 17.343 -12.662 927 2HB GLU 121 1HB GLU 121 4.189 15.724 -12.248 928 1HG GLU 121 2HG GLU 121 6.374 14.784 -12.806 929 2HG GLU 121 1HG GLU 121 6.948 16.367 -13.329 930 H TYR 122 H TYR 122 3.079 14.117 -13.479 931 HA TYR 122 HA TYR 122 4.726 11.915 -13.962 932 1HB TYR 122 2HB TYR 122 2.861 11.606 -12.521 933 2HB TYR 122 1HB TYR 122 1.726 12.168 -13.748 934 HD1 TYR 122 1HD TYR 122 4.336 9.526 -13.219 935 HD2 TYR 122 2HD TYR 122 0.606 10.595 -15.060 936 HE1 TYR 122 1HE TYR 122 4.069 7.197 -14.030 937 HE2 TYR 122 2HE TYR 122 0.342 8.268 -15.877 938 HH TYR 122 HH TYR 122 1.370 5.860 -14.923 939 H ARG 123 H ARG 123 2.219 13.377 -16.005 940 HA ARG 123 HA ARG 123 2.252 11.508 -18.093 941 1HB ARG 123 2HB ARG 123 1.763 14.495 -18.229 942 2HB ARG 123 1HB ARG 123 1.334 13.330 -19.483 943 1HG ARG 123 2HG ARG 123 -0.062 12.116 -17.771 944 2HG ARG 123 1HG ARG 123 0.249 13.448 -16.656 945 1HD ARG 123 2HD ARG 123 -0.692 15.016 -18.385 946 2HD ARG 123 1HD ARG 123 -1.153 13.608 -19.336 947 HE ARG 123 HE ARG 123 -2.170 13.352 -16.701 948 1HH1 ARG 123 1HH2 ARG 123 -2.555 15.152 -19.631 949 2HH1 ARG 123 2HH2 ARG 123 -4.241 15.460 -19.384 950 1HH2 ARG 123 1HH1 ARG 123 -4.381 13.746 -16.373 951 2HH2 ARG 123 2HH1 ARG 123 -5.276 14.661 -17.539 952 H GLN 124 H GLN 124 4.199 14.435 -17.586 953 HA GLN 124 HA GLN 124 5.673 14.173 -20.023 954 1HB GLN 124 2HB GLN 124 5.368 16.302 -18.687 955 2HB GLN 124 1HB GLN 124 6.534 15.653 -17.533 956 1HG GLN 124 2HG GLN 124 7.790 17.007 -19.054 957 2HG GLN 124 1HG GLN 124 8.120 15.333 -19.496 958 1HE2 GLN 124 1HE2 GLN 124 7.960 14.955 -21.705 959 2HE2 GLN 124 2HE2 GLN 124 6.972 15.826 -22.774 960 H HIS 125 H HIS 125 6.194 13.167 -16.677 961 HA HIS 125 HA HIS 125 8.850 12.390 -16.760 962 1HB HIS 125 2HB HIS 125 7.797 12.244 -14.663 963 2HB HIS 125 1HB HIS 125 6.466 11.275 -15.298 964 HD1 HIS 125 1HD HIS 125 10.010 11.028 -14.117 965 HD2 HIS 125 2HD HIS 125 7.053 8.504 -15.621 966 HE1 HIS 125 1HE HIS 125 10.784 8.662 -13.652 967 HE2 HIS 125 2HE HIS 125 9.002 7.110 -14.584 968 H GLN 126 H GLN 126 5.991 10.431 -17.600 969 HA GLN 126 HA GLN 126 7.451 8.150 -18.437 970 1HB GLN 126 2HB GLN 126 4.674 9.089 -19.196 971 2HB GLN 126 1HB GLN 126 5.325 7.486 -19.536 972 1HG GLN 126 2HG GLN 126 5.107 8.680 -16.759 973 2HG GLN 126 1HG GLN 126 3.931 7.565 -17.454 974 1HE2 GLN 126 1HE2 GLN 126 5.467 6.918 -15.095 975 2HE2 GLN 126 2HE2 GLN 126 6.497 5.628 -15.486 976 H ALA 127 H ALA 127 6.342 11.050 -20.103 977 HA ALA 127 HA ALA 127 6.867 10.199 -22.749 978 1HB ALA 127 1HB ALA 127 6.978 13.007 -21.622 979 2HB ALA 127 2HB ALA 127 5.514 12.198 -22.181 980 3HB ALA 127 3HB ALA 127 6.806 12.570 -23.322 981 H GLU 128 H GLU 128 8.878 11.730 -20.281 982 HA GLU 128 HA GLU 128 11.127 12.280 -21.892 983 1HB GLU 128 2HB GLU 128 10.848 11.721 -18.935 984 2HB GLU 128 1HB GLU 128 12.374 12.188 -19.689 985 1HG GLU 128 2HG GLU 128 9.821 13.798 -19.938 986 2HG GLU 128 1HG GLU 128 11.061 14.118 -18.727 987 H LYS 129 H LYS 129 9.985 9.354 -20.355 988 HA LYS 129 HA LYS 129 12.454 7.904 -20.715 989 1HB LYS 129 2HB LYS 129 9.652 7.059 -19.962 990 2HB LYS 129 1HB LYS 129 10.995 5.924 -20.113 991 1HG LYS 129 2HG LYS 129 12.262 7.156 -18.414 992 2HG LYS 129 1HG LYS 129 10.967 8.347 -18.288 993 1HD LYS 129 2HD LYS 129 9.443 6.731 -17.392 994 2HD LYS 129 1HD LYS 129 10.526 5.395 -17.785 995 1HE LYS 129 2HE LYS 129 10.448 6.319 -15.324 996 2HE LYS 129 1HE LYS 129 12.001 5.903 -16.049 997 1HZ LYS 129 1HZ LYS 129 12.332 8.199 -16.639 998 2HZ LYS 129 2HZ LYS 129 12.026 8.084 -14.972 999 3HZ LYS 129 3HZ LYS 129 10.808 8.621 -16.028 1000 H ASP 130 H ASP 130 10.160 8.981 -22.835 1001 HA ASP 130 HA ASP 130 9.579 8.440 -24.991 1002 1HB ASP 130 2HB ASP 130 12.197 6.935 -24.805 1003 2HB ASP 130 1HB ASP 130 11.317 7.234 -26.303 1004 H LYS 131 H LYS 131 8.273 6.935 -23.082 1005 HA LYS 131 HA LYS 131 8.426 4.154 -23.317 1006 1HB LYS 131 2HB LYS 131 7.055 5.419 -21.641 1007 2HB LYS 131 1HB LYS 131 5.897 5.767 -22.925 1008 1HG LYS 131 2HG LYS 131 5.603 3.336 -23.305 1009 2HG LYS 131 1HG LYS 131 6.726 3.006 -21.986 1010 1HD LYS 131 2HD LYS 131 5.222 4.264 -20.442 1011 2HD LYS 131 1HD LYS 131 4.073 4.456 -21.766 1012 1HE LYS 131 2HE LYS 131 3.406 2.539 -20.419 1013 2HE LYS 131 1HE LYS 131 3.980 1.966 -21.986 1014 1HZ LYS 131 1HZ LYS 131 4.947 1.309 -19.447 1015 2HZ LYS 131 2HZ LYS 131 6.172 2.167 -20.255 1016 3HZ LYS 131 3HZ LYS 131 5.507 0.768 -20.954 Start of MODEL 23 1 H MET 1 1H MET 1 -9.333 -30.383 17.570 2 HA MET 1 HA MET 1 -7.581 -29.285 16.661 3 1HB MET 1 2HB MET 1 -7.844 -31.821 15.016 4 2HB MET 1 1HB MET 1 -6.364 -30.870 15.156 5 1HG MET 1 2HG MET 1 -6.483 -31.172 17.647 6 2HG MET 1 1HG MET 1 -7.844 -32.266 17.402 7 1HE MET 1 1HE MET 1 -6.612 -35.226 15.592 8 2HE MET 1 2HE MET 1 -6.744 -33.837 14.517 9 3HE MET 1 3HE MET 1 -7.900 -34.037 15.832 10 H GLY 2 H GLY 2 -8.554 -27.422 15.708 11 1HA GLY 2 2HA GLY 2 -9.572 -27.404 13.040 12 2HA GLY 2 1HA GLY 2 -9.126 -25.990 13.991 13 H CYS 3 H CYS 3 -8.607 -26.652 11.143 14 HA CYS 3 HA CYS 3 -5.908 -27.342 10.724 15 1HB CYS 3 2HB CYS 3 -7.429 -27.365 8.865 16 2HB CYS 3 1HB CYS 3 -7.818 -25.659 9.092 17 HG CYS 3 HG CYS 3 -5.542 -26.643 7.448 18 H GLY 4 H GLY 4 -7.465 -24.298 11.529 19 1HA GLY 4 2HA GLY 4 -5.170 -22.653 11.022 20 2HA GLY 4 1HA GLY 4 -6.615 -22.182 11.911 21 H ALA 5 H ALA 5 -4.633 -24.979 12.690 22 HA ALA 5 HA ALA 5 -4.424 -24.320 15.425 23 1HB ALA 5 1HB ALA 5 -2.811 -26.158 15.549 24 2HB ALA 5 2HB ALA 5 -2.667 -26.167 13.792 25 3HB ALA 5 3HB ALA 5 -4.192 -26.620 14.553 26 H SER 6 H SER 6 -2.422 -23.568 12.656 27 HA SER 6 HA SER 6 -0.551 -22.136 14.448 28 1HB SER 6 2HB SER 6 -0.008 -23.284 11.700 29 2HB SER 6 1HB SER 6 1.153 -22.421 12.707 30 HG SER 6 HG SER 6 0.914 -24.066 14.260 31 H SER 7 H SER 7 0.098 -20.055 13.863 32 HA SER 7 HA SER 7 -1.800 -18.648 12.140 33 1HB SER 7 2HB SER 7 -1.294 -17.748 14.389 34 2HB SER 7 1HB SER 7 0.395 -17.567 13.923 35 HG SER 7 HG SER 7 -1.192 -15.712 13.672 36 H GLU 8 H GLU 8 -1.213 -17.420 10.358 37 HA GLU 8 HA GLU 8 1.402 -18.115 9.192 38 1HB GLU 8 2HB GLU 8 0.256 -17.211 7.067 39 2HB GLU 8 1HB GLU 8 -0.303 -18.760 7.700 40 1HG GLU 8 2HG GLU 8 -1.601 -16.160 8.516 41 2HG GLU 8 1HG GLU 8 -2.108 -17.030 7.069 42 H ASN 9 H ASN 9 2.475 -16.429 7.888 43 HA ASN 9 HA ASN 9 2.632 -13.962 9.387 44 1HB ASN 9 2HB ASN 9 4.515 -13.444 7.975 45 2HB ASN 9 1HB ASN 9 4.632 -15.140 8.441 46 1HD2 ASN 9 1HD2 ASN 9 5.957 -14.267 6.105 47 2HD2 ASN 9 2HD2 ASN 9 5.171 -14.911 4.745 48 H SER 10 H SER 10 2.342 -11.858 8.516 49 HA SER 10 HA SER 10 -0.004 -11.520 6.984 50 1HB SER 10 2HB SER 10 0.499 -9.154 7.055 51 2HB SER 10 1HB SER 10 0.908 -9.859 8.617 52 HG SER 10 HG SER 10 2.610 -9.083 6.496 53 H SER 11 H SER 11 3.352 -11.799 6.105 54 HA SER 11 HA SER 11 4.452 -11.648 4.083 55 1HB SER 11 2HB SER 11 1.798 -12.758 3.143 56 2HB SER 11 1HB SER 11 3.308 -12.812 2.238 57 HG SER 11 HG SER 11 2.483 -14.581 3.918 58 H VAL 12 H VAL 12 3.716 -11.098 1.530 59 HA VAL 12 HA VAL 12 2.329 -8.496 1.638 60 HB VAL 12 HB VAL 12 4.864 -8.934 0.059 61 1HG1 VAL 12 1HG1 VAL 12 4.847 -6.478 -0.023 62 2HG1 VAL 12 2HG1 VAL 12 3.392 -6.442 0.973 63 3HG1 VAL 12 3HG1 VAL 12 3.330 -7.118 -0.655 64 1HG2 VAL 12 1HG2 VAL 12 5.352 -9.195 2.469 65 2HG2 VAL 12 2HG2 VAL 12 4.530 -7.671 2.800 66 3HG2 VAL 12 3HG2 VAL 12 6.017 -7.683 1.851 67 H THR 13 H THR 13 1.152 -7.968 -0.173 68 HA THR 13 HA THR 13 1.200 -9.888 -2.417 69 HB THR 13 HB THR 13 -0.711 -10.333 -0.831 70 HG1 THR 13 1HG THR 13 -1.939 -9.424 -3.118 71 1HG2 THR 13 1HG2 THR 13 -2.480 -8.756 -0.619 72 2HG2 THR 13 2HG2 THR 13 -1.823 -7.737 -1.900 73 3HG2 THR 13 3HG2 THR 13 -1.000 -7.837 -0.343 74 H TYR 14 H TYR 14 0.620 -9.040 -4.439 75 HA TYR 14 HA TYR 14 0.314 -6.105 -4.570 76 1HB TYR 14 2HB TYR 14 2.117 -7.799 -6.319 77 2HB TYR 14 1HB TYR 14 1.831 -6.069 -6.509 78 HD1 TYR 14 1HD TYR 14 2.104 -4.708 -4.177 79 HD2 TYR 14 2HD TYR 14 4.044 -8.409 -5.172 80 HE1 TYR 14 1HE TYR 14 3.873 -4.230 -2.505 81 HE2 TYR 14 2HE TYR 14 5.814 -7.930 -3.501 82 HH TYR 14 HH TYR 14 6.658 -6.406 -2.106 83 H VAL 15 H VAL 15 -0.351 -5.443 -6.865 84 HA VAL 15 HA VAL 15 -2.054 -7.471 -8.147 85 HB VAL 15 HB VAL 15 -3.793 -6.534 -7.000 86 1HG1 VAL 15 1HG1 VAL 15 -3.768 -4.155 -6.206 87 2HG1 VAL 15 2HG1 VAL 15 -2.161 -3.979 -6.911 88 3HG1 VAL 15 3HG1 VAL 15 -2.422 -5.109 -5.583 89 1HG2 VAL 15 1HG2 VAL 15 -3.923 -5.889 -9.486 90 2HG2 VAL 15 2HG2 VAL 15 -3.448 -4.270 -8.975 91 3HG2 VAL 15 3HG2 VAL 15 -4.950 -4.977 -8.382 92 H ASN 16 H ASN 16 -1.171 -4.013 -8.322 93 HA ASN 16 HA ASN 16 -1.461 -3.846 -11.141 94 1HB ASN 16 2HB ASN 16 0.089 -2.109 -9.208 95 2HB ASN 16 1HB ASN 16 -0.220 -1.701 -10.894 96 1HD2 ASN 16 1HD2 ASN 16 -1.324 -0.891 -7.942 97 2HD2 ASN 16 2HD2 ASN 16 -2.972 -0.660 -8.277 98 H GLY 17 H GLY 17 1.152 -4.832 -9.058 99 1HA GLY 17 2HA GLY 17 2.609 -6.251 -10.885 100 2HA GLY 17 1HA GLY 17 3.222 -4.608 -11.044 101 H ARG 18 H ARG 18 4.987 -6.479 -10.259 102 HA ARG 18 HA ARG 18 5.134 -6.490 -7.337 103 1HB ARG 18 2HB ARG 18 7.235 -7.606 -9.175 104 2HB ARG 18 1HB ARG 18 6.790 -8.131 -7.550 105 1HG ARG 18 2HG ARG 18 4.902 -8.321 -9.908 106 2HG ARG 18 1HG ARG 18 5.980 -9.635 -9.438 107 1HD ARG 18 2HD ARG 18 3.855 -8.358 -7.694 108 2HD ARG 18 1HD ARG 18 3.777 -9.961 -8.421 109 HE ARG 18 HE ARG 18 5.352 -9.181 -6.098 110 1HH1 ARG 18 1HH2 ARG 18 4.758 -11.461 -8.633 111 2HH1 ARG 18 2HH2 ARG 18 5.519 -12.782 -7.810 112 1HH2 ARG 18 1HH1 ARG 18 6.351 -10.909 -5.013 113 2HH2 ARG 18 2HH1 ARG 18 6.421 -12.470 -5.761 114 HA PRO 19 HA PRO 19 7.893 -3.056 -7.129 115 1HB PRO 19 2HB PRO 19 9.236 -3.683 -4.833 116 2HB PRO 19 1HB PRO 19 7.565 -3.091 -4.853 117 1HG PRO 19 2HG PRO 19 8.586 -5.871 -4.546 118 2HG PRO 19 1HG PRO 19 7.238 -5.065 -3.726 119 1HD PRO 19 2HD PRO 19 6.882 -6.823 -5.797 120 2HD PRO 19 1HD PRO 19 5.757 -5.493 -5.451 121 H THR 20 H THR 20 9.812 -2.574 -8.061 122 HA THR 20 HA THR 20 11.520 -4.653 -9.028 123 HB THR 20 HB THR 20 12.802 -2.884 -10.034 124 HG1 THR 20 1HG THR 20 13.086 -1.169 -8.887 125 1HG2 THR 20 1HG2 THR 20 11.061 -1.669 -11.222 126 2HG2 THR 20 2HG2 THR 20 9.900 -2.017 -9.941 127 3HG2 THR 20 3HG2 THR 20 10.519 -3.326 -10.949 128 H PHE 21 H PHE 21 11.356 -2.902 -6.105 129 HA PHE 21 HA PHE 21 14.105 -3.744 -5.404 130 1HB PHE 21 2HB PHE 21 13.758 -1.271 -5.443 131 2HB PHE 21 1HB PHE 21 12.525 -1.463 -4.196 132 HD1 PHE 21 1HD PHE 21 16.128 -1.740 -4.958 133 HD2 PHE 21 2HD PHE 21 13.115 -2.041 -1.912 134 HE1 PHE 21 1HE PHE 21 17.892 -1.763 -3.216 135 HE2 PHE 21 2HE PHE 21 14.878 -2.062 -0.169 136 HZ PHE 21 HZ PHE 21 17.267 -1.924 -0.821 137 H VAL 22 H VAL 22 14.427 -4.764 -3.434 138 HA VAL 22 HA VAL 22 12.047 -5.340 -1.798 139 HB VAL 22 HB VAL 22 12.455 -7.215 -3.422 140 1HG1 VAL 22 1HG1 VAL 22 14.988 -6.895 -3.316 141 2HG1 VAL 22 2HG1 VAL 22 14.420 -8.563 -3.226 142 3HG1 VAL 22 3HG1 VAL 22 14.932 -7.725 -1.761 143 1HG2 VAL 22 1HG2 VAL 22 11.929 -8.837 -1.826 144 2HG2 VAL 22 2HG2 VAL 22 11.559 -7.356 -0.943 145 3HG2 VAL 22 3HG2 VAL 22 13.080 -8.199 -0.653 146 H GLY 23 H GLY 23 12.835 -6.651 0.227 147 1HA GLY 23 2HA GLY 23 15.508 -6.028 1.138 148 2HA GLY 23 1HA GLY 23 14.254 -5.063 1.911 149 H GLU 24 H GLU 24 13.269 -5.893 3.652 150 HA GLU 24 HA GLU 24 13.040 -8.787 3.983 151 1HB GLU 24 2HB GLU 24 15.255 -8.140 4.963 152 2HB GLU 24 1HB GLU 24 14.394 -7.089 6.089 153 1HG GLU 24 2HG GLU 24 13.102 -9.046 6.900 154 2HG GLU 24 1HG GLU 24 14.021 -10.086 5.814 155 H GLU 25 H GLU 25 12.750 -5.805 5.932 156 HA GLU 25 HA GLU 25 10.183 -6.727 6.971 157 1HB GLU 25 2HB GLU 25 11.878 -5.651 8.457 158 2HB GLU 25 1HB GLU 25 11.667 -4.154 7.546 159 1HG GLU 25 2HG GLU 25 9.254 -4.164 8.110 160 2HG GLU 25 1HG GLU 25 9.492 -5.633 9.056 161 H VAL 26 H VAL 26 8.451 -6.415 5.723 162 HA VAL 26 HA VAL 26 8.283 -3.925 4.140 163 HB VAL 26 HB VAL 26 6.638 -6.422 3.730 164 1HG1 VAL 26 1HG1 VAL 26 5.747 -4.399 2.702 165 2HG1 VAL 26 2HG1 VAL 26 6.428 -5.428 1.442 166 3HG1 VAL 26 3HG1 VAL 26 7.324 -4.020 2.010 167 1HG2 VAL 26 1HG2 VAL 26 8.251 -6.968 1.918 168 2HG2 VAL 26 2HG2 VAL 26 9.014 -7.011 3.509 169 3HG2 VAL 26 3HG2 VAL 26 9.271 -5.629 2.444 170 H THR 27 H THR 27 6.590 -2.555 4.414 171 HA THR 27 HA THR 27 4.389 -3.372 6.190 172 HB THR 27 HB THR 27 4.883 -0.703 6.845 173 HG1 THR 27 1HG THR 27 7.223 -2.193 6.438 174 1HG2 THR 27 1HG2 THR 27 4.063 -2.462 8.351 175 2HG2 THR 27 2HG2 THR 27 5.471 -1.660 9.049 176 3HG2 THR 27 3HG2 THR 27 5.640 -3.250 8.303 177 H LYS 28 H LYS 28 2.583 -1.752 6.131 178 HA LYS 28 HA LYS 28 2.414 -0.487 3.460 179 1HB LYS 28 2HB LYS 28 -0.119 -0.954 3.779 180 2HB LYS 28 1HB LYS 28 0.929 -2.293 3.306 181 1HG LYS 28 2HG LYS 28 1.113 -2.978 5.678 182 2HG LYS 28 1HG LYS 28 0.037 -1.658 6.134 183 1HD LYS 28 2HD LYS 28 -1.723 -2.624 4.658 184 2HD LYS 28 1HD LYS 28 -0.652 -3.984 4.316 185 1HE LYS 28 2HE LYS 28 -0.572 -4.500 6.747 186 2HE LYS 28 1HE LYS 28 -1.710 -3.186 7.044 187 1HZ LYS 28 1HZ LYS 28 -2.791 -5.371 6.872 188 2HZ LYS 28 2HZ LYS 28 -2.235 -5.512 5.273 189 3HZ LYS 28 3HZ LYS 28 -3.336 -4.287 5.687 190 H GLY 29 H GLY 29 2.596 1.644 3.808 191 1HA GLY 29 2HA GLY 29 2.214 3.139 6.046 192 2HA GLY 29 1HA GLY 29 1.877 3.757 4.433 193 H PHE 30 H PHE 30 -0.315 3.082 3.531 194 HA PHE 30 HA PHE 30 -2.333 3.699 5.538 195 1HB PHE 30 2HB PHE 30 -2.368 3.480 2.530 196 2HB PHE 30 1HB PHE 30 -3.845 3.682 3.474 197 HD1 PHE 30 1HD PHE 30 -1.301 5.408 1.776 198 HD2 PHE 30 2HD PHE 30 -3.676 5.592 5.351 199 HE1 PHE 30 1HE PHE 30 -0.866 7.844 1.940 200 HE2 PHE 30 2HE PHE 30 -3.241 8.028 5.514 201 HZ PHE 30 HZ PHE 30 -1.836 9.154 3.809 202 H GLU 31 H GLU 31 -3.441 2.183 6.575 203 HA GLU 31 HA GLU 31 -3.226 -0.589 5.942 204 1HB GLU 31 2HB GLU 31 -5.082 0.890 7.822 205 2HB GLU 31 1HB GLU 31 -4.930 -0.866 7.742 206 1HG GLU 31 2HG GLU 31 -2.506 -0.657 8.247 207 2HG GLU 31 1HG GLU 31 -2.704 1.088 8.395 208 H LYS 32 H LYS 32 -5.465 1.935 5.090 209 HA LYS 32 HA LYS 32 -7.654 0.274 4.336 210 1HB LYS 32 2HB LYS 32 -7.646 2.811 4.778 211 2HB LYS 32 1HB LYS 32 -7.051 2.965 3.125 212 1HG LYS 32 2HG LYS 32 -9.006 1.711 2.297 213 2HG LYS 32 1HG LYS 32 -9.604 1.551 3.949 214 1HD LYS 32 2HD LYS 32 -9.600 4.074 4.100 215 2HD LYS 32 1HD LYS 32 -9.247 4.113 2.373 216 1HE LYS 32 2HE LYS 32 -11.665 2.803 3.652 217 2HE LYS 32 1HE LYS 32 -11.669 4.330 2.770 218 1HZ LYS 32 1HZ LYS 32 -11.752 3.251 0.851 219 2HZ LYS 32 2HZ LYS 32 -11.984 1.807 1.715 220 3HZ LYS 32 3HZ LYS 32 -10.419 2.282 1.254 221 H ASP 33 H ASP 33 -8.424 -0.005 2.102 222 HA ASP 33 HA ASP 33 -8.150 -0.826 -0.025 223 1HB ASP 33 2HB ASP 33 -5.777 1.054 -0.022 224 2HB ASP 33 1HB ASP 33 -6.500 0.316 -1.450 225 H ASN 34 H ASN 34 -5.812 -1.344 -1.500 226 HA ASN 34 HA ASN 34 -4.968 -3.790 -0.215 227 1HB ASN 34 2HB ASN 34 -3.873 -4.291 -2.290 228 2HB ASN 34 1HB ASN 34 -5.434 -3.571 -2.679 229 1HD2 ASN 34 1HD2 ASN 34 -3.302 -3.489 -4.567 230 2HD2 ASN 34 2HD2 ASN 34 -2.787 -1.880 -4.733 231 H GLY 35 H GLY 35 -4.143 -0.975 0.726 232 1HA GLY 35 2HA GLY 35 -2.249 -0.615 2.150 233 2HA GLY 35 1HA GLY 35 -1.298 -1.653 1.090 234 H LEU 36 H LEU 36 -2.476 -0.316 -1.314 235 HA LEU 36 HA LEU 36 -1.963 1.405 -2.744 236 1HB LEU 36 2HB LEU 36 -1.478 3.079 -0.277 237 2HB LEU 36 1HB LEU 36 -1.960 3.629 -1.882 238 HG LEU 36 HG LEU 36 -3.617 1.920 -0.005 239 1HD1 LEU 36 1HD1 LEU 36 -4.222 4.678 -1.084 240 2HD1 LEU 36 2HD1 LEU 36 -3.364 4.434 0.437 241 3HD1 LEU 36 3HD1 LEU 36 -5.012 3.835 0.248 242 1HD2 LEU 36 1HD2 LEU 36 -5.373 2.457 -1.851 243 2HD2 LEU 36 2HD2 LEU 36 -4.198 1.181 -2.169 244 3HD2 LEU 36 3HD2 LEU 36 -3.974 2.782 -2.874 245 H LEU 37 H LEU 37 0.158 2.081 0.048 246 HA LEU 37 HA LEU 37 2.476 1.751 -1.762 247 1HB LEU 37 2HB LEU 37 2.046 4.128 -1.147 248 2HB LEU 37 1HB LEU 37 2.247 3.690 0.551 249 HG LEU 37 HG LEU 37 4.523 2.686 -0.211 250 1HD1 LEU 37 1HD1 LEU 37 3.672 3.230 -2.690 251 2HD1 LEU 37 2HD1 LEU 37 5.382 3.292 -2.265 252 3HD1 LEU 37 3HD1 LEU 37 4.437 4.779 -2.339 253 1HD2 LEU 37 1HD2 LEU 37 3.969 5.669 -0.141 254 2HD2 LEU 37 2HD2 LEU 37 5.582 4.963 -0.033 255 3HD2 LEU 37 3HD2 LEU 37 4.393 4.638 1.228 256 H PHE 38 H PHE 38 4.053 0.417 -1.095 257 HA PHE 38 HA PHE 38 3.803 -0.747 1.606 258 1HB PHE 38 2HB PHE 38 5.091 -1.810 -0.917 259 2HB PHE 38 1HB PHE 38 5.190 -2.605 0.655 260 HD1 PHE 38 1HD PHE 38 3.246 -3.665 1.664 261 HD2 PHE 38 2HD PHE 38 2.953 -1.648 -2.117 262 HE1 PHE 38 1HE PHE 38 1.027 -4.704 1.281 263 HE2 PHE 38 2HE PHE 38 0.734 -2.686 -2.500 264 HZ PHE 38 HZ PHE 38 -0.229 -4.215 -0.801 265 H ARG 39 H ARG 39 5.362 -0.425 3.070 266 HA ARG 39 HA ARG 39 7.670 1.196 2.324 267 1HB ARG 39 2HB ARG 39 6.340 1.719 4.364 268 2HB ARG 39 1HB ARG 39 6.839 0.171 5.047 269 1HG ARG 39 2HG ARG 39 9.184 0.832 4.947 270 2HG ARG 39 1HG ARG 39 8.752 2.342 4.143 271 1HD ARG 39 2HD ARG 39 9.080 2.843 6.476 272 2HD ARG 39 1HD ARG 39 7.350 2.920 6.157 273 HE ARG 39 HE ARG 39 8.154 0.311 7.035 274 1HH1 ARG 39 1HH2 ARG 39 7.446 3.545 8.041 275 2HH1 ARG 39 2HH2 ARG 39 6.959 3.089 9.640 276 1HH2 ARG 39 1HH1 ARG 39 7.517 -0.295 9.130 277 2HH2 ARG 39 2HH1 ARG 39 6.999 0.915 10.256 278 H ILE 40 H ILE 40 9.362 0.134 1.503 279 HA ILE 40 HA ILE 40 9.993 -2.562 2.483 280 HB ILE 40 HB ILE 40 11.180 -1.032 0.157 281 1HG1 ILE 40 2HG1 ILE 40 9.126 -3.262 0.121 282 2HG1 ILE 40 1HG1 ILE 40 8.707 -1.555 -0.016 283 1HG2 ILE 40 1HG2 ILE 40 12.698 -2.740 0.878 284 2HG2 ILE 40 2HG2 ILE 40 11.835 -3.403 -0.510 285 3HG2 ILE 40 3HG2 ILE 40 11.386 -3.893 1.124 286 1HD1 ILE 40 1HD1 ILE 40 9.910 -1.321 -2.063 287 2HD1 ILE 40 2HD1 ILE 40 8.988 -2.817 -2.222 288 3HD1 ILE 40 3HD1 ILE 40 10.711 -2.878 -1.852 289 H VAL 41 H VAL 41 11.756 -2.998 3.687 290 HA VAL 41 HA VAL 41 13.821 -0.918 3.983 291 HB VAL 41 HB VAL 41 12.531 -2.386 6.296 292 1HG1 VAL 41 1HG1 VAL 41 14.794 -1.942 6.862 293 2HG1 VAL 41 2HG1 VAL 41 13.889 -0.601 7.561 294 3HG1 VAL 41 3HG1 VAL 41 14.774 -0.376 6.051 295 1HG2 VAL 41 1HG2 VAL 41 11.620 -0.182 6.896 296 2HG2 VAL 41 2HG2 VAL 41 11.061 -0.653 5.291 297 3HG2 VAL 41 3HG2 VAL 41 12.360 0.528 5.461 298 H ASN 42 H ASN 42 15.771 -1.755 3.658 299 HA ASN 42 HA ASN 42 16.124 -4.670 3.940 300 1HB ASN 42 2HB ASN 42 16.622 -3.292 1.751 301 2HB ASN 42 1HB ASN 42 18.122 -2.899 2.588 302 1HD2 ASN 42 1HD2 ASN 42 17.386 -4.823 0.223 303 2HD2 ASN 42 2HD2 ASN 42 18.170 -6.265 0.655 304 H LYS 43 H LYS 43 16.784 -5.076 5.979 305 HA LYS 43 HA LYS 43 18.232 -3.378 7.657 306 1HB LYS 43 2HB LYS 43 18.111 -6.402 7.607 307 2HB LYS 43 1HB LYS 43 18.783 -5.451 8.932 308 1HG LYS 43 2HG LYS 43 16.578 -4.269 9.124 309 2HG LYS 43 1HG LYS 43 15.928 -5.380 7.918 310 1HD LYS 43 2HD LYS 43 16.581 -7.291 9.398 311 2HD LYS 43 1HD LYS 43 17.072 -6.123 10.626 312 1HE LYS 43 2HE LYS 43 14.719 -5.158 10.472 313 2HE LYS 43 1HE LYS 43 14.295 -6.577 9.513 314 1HZ LYS 43 1HZ LYS 43 15.306 -6.532 12.300 315 2HZ LYS 43 2HZ LYS 43 15.158 -7.950 11.377 316 3HZ LYS 43 3HZ LYS 43 13.778 -7.040 11.770 317 H LYS 44 H LYS 44 19.316 -5.594 5.168 318 HA LYS 44 HA LYS 44 21.995 -5.906 5.823 319 1HB LYS 44 2HB LYS 44 20.760 -5.562 3.080 320 2HB LYS 44 1HB LYS 44 22.379 -6.188 3.390 321 1HG LYS 44 2HG LYS 44 21.257 -7.934 4.891 322 2HG LYS 44 1HG LYS 44 19.732 -7.419 4.170 323 1HD LYS 44 2HD LYS 44 22.134 -8.379 2.591 324 2HD LYS 44 1HD LYS 44 20.740 -9.381 2.995 325 1HE LYS 44 2HE LYS 44 19.319 -7.545 1.880 326 2HE LYS 44 1HE LYS 44 20.837 -6.948 1.210 327 1HZ LYS 44 1HZ LYS 44 21.186 -8.933 0.054 328 2HZ LYS 44 2HZ LYS 44 19.538 -8.594 -0.180 329 3HZ LYS 44 3HZ LYS 44 20.014 -9.776 0.944 330 H LYS 45 H LYS 45 20.807 -3.529 3.436 331 HA LYS 45 HA LYS 45 23.172 -1.879 3.969 332 1HB LYS 45 2HB LYS 45 21.045 -1.705 1.821 333 2HB LYS 45 1HB LYS 45 22.434 -0.626 1.954 334 1HG LYS 45 2HG LYS 45 23.978 -2.445 1.619 335 2HG LYS 45 1HG LYS 45 22.684 -3.637 1.745 336 1HD LYS 45 2HD LYS 45 23.289 -3.254 -0.614 337 2HD LYS 45 1HD LYS 45 21.639 -2.715 -0.296 338 1HE LYS 45 2HE LYS 45 23.206 -1.131 -1.635 339 2HE LYS 45 1HE LYS 45 22.240 -0.441 -0.330 340 1HZ LYS 45 1HZ LYS 45 25.004 -1.427 0.074 341 2HZ LYS 45 2HZ LYS 45 24.079 -0.450 1.112 342 3HZ LYS 45 3HZ LYS 45 24.661 0.177 -0.355 343 H LYS 46 H LYS 46 20.115 -2.168 5.165 344 HA LYS 46 HA LYS 46 18.701 -0.790 6.342 345 1HB LYS 46 2HB LYS 46 21.427 0.270 6.775 346 2HB LYS 46 1HB LYS 46 20.110 1.377 7.165 347 1HG LYS 46 2HG LYS 46 20.011 -1.477 8.116 348 2HG LYS 46 1HG LYS 46 20.949 -0.277 9.008 349 1HD LYS 46 2HD LYS 46 19.081 0.903 9.662 350 2HD LYS 46 1HD LYS 46 18.168 0.464 8.218 351 1HE LYS 46 2HE LYS 46 17.560 -0.618 10.552 352 2HE LYS 46 1HE LYS 46 17.524 -1.595 9.084 353 1HZ LYS 46 1HZ LYS 46 19.207 -2.831 9.803 354 2HZ LYS 46 2HZ LYS 46 18.976 -2.121 11.329 355 3HZ LYS 46 3HZ LYS 46 20.128 -1.481 10.257 356 H GLN 47 H GLN 47 18.856 -0.423 3.465 357 HA GLN 47 HA GLN 47 18.427 2.475 3.173 358 1HB GLN 47 2HB GLN 47 18.551 2.086 0.775 359 2HB GLN 47 1HB GLN 47 19.947 1.346 1.560 360 1HG GLN 47 2HG GLN 47 18.535 -0.809 1.636 361 2HG GLN 47 1HG GLN 47 17.477 -0.008 0.475 362 1HE2 GLN 47 1HE2 GLN 47 19.980 1.442 -0.631 363 2HE2 GLN 47 2HE2 GLN 47 20.713 0.272 -1.618 364 H TRP 48 H TRP 48 16.435 3.287 3.036 365 HA TRP 48 HA TRP 48 14.158 1.469 3.049 366 1HB TRP 48 2HB TRP 48 14.450 4.450 3.425 367 2HB TRP 48 1HB TRP 48 12.878 3.657 3.327 368 HD1 TRP 48 HD TRP 48 15.530 1.577 4.929 369 HE1 TRP 48 1HE TRP 48 15.152 1.478 7.478 370 HE3 TRP 48 3HE TRP 48 11.969 5.203 5.436 371 HZ2 TRP 48 2HZ TRP 48 13.552 2.767 9.468 372 HZ3 TRP 48 3HZ TRP 48 11.037 5.747 7.668 373 HH2 TRP 48 HH TRP 48 11.823 4.535 9.682 374 H ALA 49 H ALA 49 12.567 1.371 1.496 375 HA ALA 49 HA ALA 49 12.854 3.020 -0.917 376 1HB ALA 49 1HB ALA 49 13.022 0.015 -0.804 377 2HB ALA 49 2HB ALA 49 14.088 1.149 -1.636 378 3HB ALA 49 3HB ALA 49 12.464 0.847 -2.256 379 H TYR 50 H TYR 50 10.943 3.090 -2.217 380 HA TYR 50 HA TYR 50 8.523 2.035 -0.887 381 1HB TYR 50 2HB TYR 50 9.055 4.821 -1.908 382 2HB TYR 50 1HB TYR 50 7.417 4.202 -1.703 383 HD1 TYR 50 1HD TYR 50 6.933 3.039 0.623 384 HD2 TYR 50 2HD TYR 50 10.107 5.842 -0.091 385 HE1 TYR 50 1HE TYR 50 7.049 3.525 3.052 386 HE2 TYR 50 2HE TYR 50 10.225 6.327 2.338 387 HH TYR 50 HH TYR 50 7.872 5.612 4.469 388 H TYR 51 H TYR 51 6.937 1.262 -2.210 389 HA TYR 51 HA TYR 51 7.418 1.431 -5.125 390 1HB TYR 51 2HB TYR 51 7.965 -0.804 -4.538 391 2HB TYR 51 1HB TYR 51 6.591 -0.934 -3.442 392 HD1 TYR 51 1HD TYR 51 7.451 -0.391 -7.043 393 HD2 TYR 51 2HD TYR 51 4.531 -1.772 -4.210 394 HE1 TYR 51 1HE TYR 51 6.044 -1.232 -8.903 395 HE2 TYR 51 2HE TYR 51 3.124 -2.614 -6.071 396 HH TYR 51 HH TYR 51 4.040 -2.064 -9.460 397 H ASN 52 H ASN 52 5.784 2.296 -6.228 398 HA ASN 52 HA ASN 52 3.193 2.624 -4.876 399 1HB ASN 52 2HB ASN 52 4.276 4.656 -5.749 400 2HB ASN 52 1HB ASN 52 4.281 3.956 -7.366 401 1HD2 ASN 52 1HD2 ASN 52 2.912 6.089 -7.677 402 2HD2 ASN 52 2HD2 ASN 52 1.236 5.923 -7.470 403 H ASP 53 H ASP 53 1.467 1.481 -5.469 404 HA ASP 53 HA ASP 53 1.642 -0.147 -7.919 405 1HB ASP 53 2HB ASP 53 -0.015 -1.582 -6.925 406 2HB ASP 53 1HB ASP 53 1.231 -1.283 -5.715 407 H THR 54 H THR 54 -0.289 2.273 -6.265 408 HA THR 54 HA THR 54 -2.600 2.221 -7.840 409 HB THR 54 HB THR 54 -2.702 4.717 -7.225 410 HG1 THR 54 1HG THR 54 -0.416 4.899 -6.964 411 1HG2 THR 54 1HG2 THR 54 -3.028 4.138 -4.784 412 2HG2 THR 54 2HG2 THR 54 -2.402 2.530 -5.154 413 3HG2 THR 54 3HG2 THR 54 -3.893 3.093 -5.912 414 H THR 55 H THR 55 -2.810 2.469 -9.963 415 HA THR 55 HA THR 55 -0.747 3.932 -11.456 416 HB THR 55 HB THR 55 -1.803 2.897 -13.447 417 HG1 THR 55 1HG THR 55 -3.273 1.061 -12.264 418 1HG2 THR 55 1HG2 THR 55 0.002 1.757 -12.105 419 2HG2 THR 55 2HG2 THR 55 -1.038 0.652 -13.005 420 3HG2 THR 55 3HG2 THR 55 -1.268 0.863 -11.268 421 H GLN 56 H GLN 56 -3.110 5.048 -9.814 422 HA GLN 56 HA GLN 56 -4.088 6.854 -11.941 423 1HB GLN 56 2HB GLN 56 -6.148 6.985 -10.258 424 2HB GLN 56 1HB GLN 56 -6.065 5.758 -11.522 425 1HG GLN 56 2HG GLN 56 -4.902 5.263 -8.783 426 2HG GLN 56 1HG GLN 56 -6.605 4.963 -9.121 427 1HE2 GLN 56 1HE2 GLN 56 -6.446 3.939 -11.757 428 2HE2 GLN 56 2HE2 GLN 56 -5.580 2.479 -11.730 429 H TYR 57 H TYR 57 -2.648 6.448 -8.875 430 HA TYR 57 HA TYR 57 -2.673 9.370 -8.482 431 1HB TYR 57 2HB TYR 57 -2.766 7.569 -6.094 432 2HB TYR 57 1HB TYR 57 -3.296 9.243 -6.257 433 HD1 TYR 57 1HD TYR 57 -5.207 9.575 -8.132 434 HD2 TYR 57 2HD TYR 57 -4.426 5.943 -5.974 435 HE1 TYR 57 1HE TYR 57 -7.517 8.802 -8.597 436 HE2 TYR 57 2HE TYR 57 -6.737 5.170 -6.440 437 HH TYR 57 HH TYR 57 -8.625 5.585 -7.544 438 H GLU 58 H GLU 58 -0.821 10.222 -7.486 439 HA GLU 58 HA GLU 58 1.539 8.495 -7.671 440 1HB GLU 58 2HB GLU 58 2.633 10.841 -7.135 441 2HB GLU 58 1HB GLU 58 2.036 10.476 -8.755 442 1HG GLU 58 2HG GLU 58 -0.074 11.602 -8.275 443 2HG GLU 58 1HG GLU 58 0.425 11.884 -6.607 444 H MET 59 H MET 59 2.953 8.138 -5.970 445 HA MET 59 HA MET 59 1.753 8.430 -3.316 446 1HB MET 59 2HB MET 59 3.917 6.721 -4.492 447 2HB MET 59 1HB MET 59 3.871 6.986 -2.749 448 1HG MET 59 2HG MET 59 2.566 4.954 -3.721 449 2HG MET 59 1HG MET 59 1.763 5.968 -2.523 450 1HE MET 59 1HE MET 59 -0.373 4.537 -3.667 451 2HE MET 59 2HE MET 59 -1.445 5.794 -4.283 452 3HE MET 59 3HE MET 59 -0.549 6.064 -2.789 453 H HIS 60 H HIS 60 2.358 9.976 -1.952 454 HA HIS 60 HA HIS 60 4.956 11.317 -2.403 455 1HB HIS 60 2HB HIS 60 2.415 12.374 -1.139 456 2HB HIS 60 1HB HIS 60 3.939 13.258 -1.224 457 HD1 HIS 60 1HD HIS 60 4.362 14.558 -3.325 458 HD2 HIS 60 2HD HIS 60 1.373 11.700 -3.848 459 HE1 HIS 60 1HE HIS 60 3.422 14.921 -5.649 460 HE2 HIS 60 2HE HIS 60 1.598 13.186 -5.983 461 H VAL 61 H VAL 61 6.465 10.986 -0.904 462 HA VAL 61 HA VAL 61 5.622 9.926 1.720 463 HB VAL 61 HB VAL 61 8.254 9.705 0.243 464 1HG1 VAL 61 1HG1 VAL 61 8.801 9.830 2.562 465 2HG1 VAL 61 2HG1 VAL 61 8.760 8.109 2.183 466 3HG1 VAL 61 3HG1 VAL 61 7.401 8.860 3.018 467 1HG2 VAL 61 1HG2 VAL 61 6.382 8.270 -0.571 468 2HG2 VAL 61 2HG2 VAL 61 6.207 7.618 1.058 469 3HG2 VAL 61 3HG2 VAL 61 7.687 7.326 0.145 470 H LEU 62 H LEU 62 6.007 11.049 3.526 471 HA LEU 62 HA LEU 62 8.030 13.177 3.516 472 1HB LEU 62 2HB LEU 62 5.756 14.150 2.940 473 2HB LEU 62 1HB LEU 62 5.236 13.668 4.556 474 HG LEU 62 HG LEU 62 7.441 14.928 5.297 475 1HD1 LEU 62 1HD1 LEU 62 8.185 16.632 3.862 476 2HD1 LEU 62 2HD1 LEU 62 6.725 16.570 2.876 477 3HD1 LEU 62 3HD1 LEU 62 7.925 15.284 2.756 478 1HD2 LEU 62 1HD2 LEU 62 6.039 17.085 5.322 479 2HD2 LEU 62 2HD2 LEU 62 5.322 15.670 6.093 480 3HD2 LEU 62 3HD2 LEU 62 4.800 16.155 4.480 481 H VAL 63 H VAL 63 9.281 11.958 4.929 482 HA VAL 63 HA VAL 63 8.073 11.396 7.571 483 HB VAL 63 HB VAL 63 10.476 10.098 6.263 484 1HG1 VAL 63 1HG1 VAL 63 9.031 9.590 8.881 485 2HG1 VAL 63 2HG1 VAL 63 10.697 10.134 8.684 486 3HG1 VAL 63 3HG1 VAL 63 10.237 8.506 8.188 487 1HG2 VAL 63 1HG2 VAL 63 8.091 9.617 5.366 488 2HG2 VAL 63 2HG2 VAL 63 7.824 8.810 6.911 489 3HG2 VAL 63 3HG2 VAL 63 9.086 8.235 5.822 490 H THR 64 H THR 64 8.915 12.342 9.336 491 HA THR 64 HA THR 64 11.306 14.038 8.963 492 HB THR 64 HB THR 64 9.120 14.274 11.046 493 HG1 THR 64 1HG THR 64 8.160 14.998 9.291 494 1HG2 THR 64 1HG2 THR 64 11.114 15.228 11.919 495 2HG2 THR 64 2HG2 THR 64 10.205 16.586 11.258 496 3HG2 THR 64 3HG2 THR 64 11.562 15.912 10.356 497 H PHE 65 H PHE 65 13.072 13.706 10.199 498 HA PHE 65 HA PHE 65 12.878 11.642 12.311 499 1HB PHE 65 2HB PHE 65 15.428 12.266 10.852 500 2HB PHE 65 1HB PHE 65 14.957 10.785 11.687 501 HD1 PHE 65 1HD PHE 65 13.621 9.098 10.604 502 HD2 PHE 65 2HD PHE 65 14.430 12.835 8.646 503 HE1 PHE 65 1HE PHE 65 12.751 8.171 8.474 504 HE2 PHE 65 2HE PHE 65 13.560 11.908 6.516 505 HZ PHE 65 HZ PHE 65 12.722 9.576 6.430 506 H ASN 66 H ASN 66 14.522 11.841 14.034 507 HA ASN 66 HA ASN 66 14.675 14.594 14.950 508 1HB ASN 66 2HB ASN 66 14.067 12.595 16.411 509 2HB ASN 66 1HB ASN 66 15.772 12.150 16.341 510 1HD2 ASN 66 1HD2 ASN 66 16.991 13.001 18.024 511 2HD2 ASN 66 2HD2 ASN 66 16.622 14.423 18.874 512 H GLU 67 H GLU 67 16.621 15.626 15.602 513 HA GLU 67 HA GLU 67 18.700 15.648 13.805 514 1HB GLU 67 2HB GLU 67 18.576 17.456 15.318 515 2HB GLU 67 1HB GLU 67 18.607 16.391 16.723 516 1HG GLU 67 2HG GLU 67 20.898 15.920 16.475 517 2HG GLU 67 1HG GLU 67 20.917 16.445 14.791 518 H ASP 68 H ASP 68 18.489 13.797 16.831 519 HA ASP 68 HA ASP 68 21.063 12.552 16.444 520 1HB ASP 68 2HB ASP 68 18.799 11.982 18.369 521 2HB ASP 68 1HB ASP 68 20.354 11.153 18.395 522 H CYS 69 H CYS 69 20.414 11.869 14.182 523 HA CYS 69 HA CYS 69 19.642 9.066 14.285 524 1HB CYS 69 2HB CYS 69 18.136 10.962 12.473 525 2HB CYS 69 1HB CYS 69 17.866 9.230 12.664 526 HG CYS 69 HG CYS 69 16.860 9.632 14.987 527 H ASP 70 H ASP 70 21.218 8.096 13.194 528 HA ASP 70 HA ASP 70 22.814 9.495 11.246 529 1HB ASP 70 2HB ASP 70 23.659 7.710 12.837 530 2HB ASP 70 1HB ASP 70 22.822 6.530 11.829 531 H ILE 71 H ILE 71 21.100 10.039 9.737 532 HA ILE 71 HA ILE 71 20.403 7.768 7.971 533 HB ILE 71 HB ILE 71 18.332 8.994 7.400 534 1HG1 ILE 71 2HG1 ILE 71 19.250 10.864 9.611 535 2HG1 ILE 71 1HG1 ILE 71 19.143 11.268 7.897 536 1HG2 ILE 71 1HG2 ILE 71 18.408 7.295 9.248 537 2HG2 ILE 71 2HG2 ILE 71 17.154 8.515 9.472 538 3HG2 ILE 71 3HG2 ILE 71 18.656 8.614 10.392 539 1HD1 ILE 71 1HD1 ILE 71 16.893 10.662 9.818 540 2HD1 ILE 71 2HD1 ILE 71 16.666 10.580 8.071 541 3HD1 ILE 71 3HD1 ILE 71 17.128 12.103 8.829 542 H LYS 72 H LYS 72 20.164 8.317 5.702 543 HA LYS 72 HA LYS 72 21.427 10.830 4.860 544 1HB LYS 72 2HB LYS 72 23.079 8.798 5.075 545 2HB LYS 72 1HB LYS 72 22.330 8.286 3.562 546 1HG LYS 72 2HG LYS 72 22.785 10.668 2.718 547 2HG LYS 72 1HG LYS 72 23.836 10.845 4.124 548 1HD LYS 72 2HD LYS 72 25.377 10.051 2.596 549 2HD LYS 72 1HD LYS 72 24.796 8.519 3.247 550 1HE LYS 72 2HE LYS 72 24.792 8.406 0.810 551 2HE LYS 72 1HE LYS 72 23.128 8.405 1.394 552 1HZ LYS 72 1HZ LYS 72 22.769 10.177 0.141 553 2HZ LYS 72 2HZ LYS 72 24.407 10.260 -0.307 554 3HZ LYS 72 3HZ LYS 72 23.864 11.057 1.092 555 H ALA 73 H ALA 73 21.157 11.240 2.538 556 HA ALA 73 HA ALA 73 18.547 10.275 1.632 557 1HB ALA 73 1HB ALA 73 18.341 12.282 0.625 558 2HB ALA 73 2HB ALA 73 19.948 12.180 -0.094 559 3HB ALA 73 3HB ALA 73 19.757 12.756 1.562 560 H LEU 74 H LEU 74 18.205 9.145 -0.243 561 HA LEU 74 HA LEU 74 20.606 7.943 -1.455 562 1HB LEU 74 2HB LEU 74 17.715 7.047 -1.462 563 2HB LEU 74 1HB LEU 74 19.032 6.204 -2.279 564 HG LEU 74 HG LEU 74 18.968 6.803 0.692 565 1HD1 LEU 74 1HD1 LEU 74 18.306 4.555 1.056 566 2HD1 LEU 74 2HD1 LEU 74 18.635 4.102 -0.616 567 3HD1 LEU 74 3HD1 LEU 74 17.248 5.121 -0.236 568 1HD2 LEU 74 1HD2 LEU 74 20.912 5.553 -1.198 569 2HD2 LEU 74 2HD2 LEU 74 20.747 4.818 0.397 570 3HD2 LEU 74 3HD2 LEU 74 21.215 6.513 0.250 571 H GLY 75 H GLY 75 17.574 7.792 -3.094 572 1HA GLY 75 2HA GLY 75 18.593 8.692 -5.546 573 2HA GLY 75 1HA GLY 75 16.883 8.564 -5.148 574 H LYS 76 H LYS 76 16.264 10.468 -6.156 575 HA LYS 76 HA LYS 76 17.594 12.960 -5.793 576 1HB LYS 76 2HB LYS 76 15.697 13.933 -6.923 577 2HB LYS 76 1HB LYS 76 16.072 12.398 -7.709 578 1HG LYS 76 2HG LYS 76 14.337 11.328 -6.188 579 2HG LYS 76 1HG LYS 76 13.855 12.962 -5.727 580 1HD LYS 76 2HD LYS 76 13.892 11.880 -8.562 581 2HD LYS 76 1HD LYS 76 12.448 12.097 -7.570 582 1HE LYS 76 2HE LYS 76 12.480 14.074 -8.821 583 2HE LYS 76 1HE LYS 76 13.297 14.564 -7.337 584 1HZ LYS 76 1HZ LYS 76 15.030 15.119 -8.573 585 2HZ LYS 76 2HZ LYS 76 14.302 14.499 -9.977 586 3HZ LYS 76 3HZ LYS 76 15.239 13.487 -8.985 587 H THR 77 H THR 77 15.946 11.134 -3.610 588 HA THR 77 HA THR 77 14.144 12.703 -2.270 589 HB THR 77 HB THR 77 16.299 11.017 -0.974 590 HG1 THR 77 1HG THR 77 15.281 9.592 -2.168 591 1HG2 THR 77 1HG2 THR 77 13.620 12.070 -0.048 592 2HG2 THR 77 2HG2 THR 77 15.199 12.323 0.698 593 3HG2 THR 77 3HG2 THR 77 14.445 10.730 0.750 594 H LYS 78 H LYS 78 14.274 14.769 -1.686 595 HA LYS 78 HA LYS 78 16.801 16.088 -1.265 596 1HB LYS 78 2HB LYS 78 14.843 17.222 -2.299 597 2HB LYS 78 1HB LYS 78 13.999 17.112 -0.755 598 1HG LYS 78 2HG LYS 78 15.686 18.475 0.331 599 2HG LYS 78 1HG LYS 78 16.680 18.475 -1.126 600 1HD LYS 78 2HD LYS 78 15.433 20.581 -0.966 601 2HD LYS 78 1HD LYS 78 14.861 19.644 -2.346 602 1HE LYS 78 2HE LYS 78 13.511 19.278 0.305 603 2HE LYS 78 1HE LYS 78 13.131 20.708 -0.653 604 1HZ LYS 78 1HZ LYS 78 11.921 19.495 -2.038 605 2HZ LYS 78 2HZ LYS 78 12.090 18.183 -0.972 606 3HZ LYS 78 3HZ LYS 78 13.171 18.373 -2.269 607 H LEU 79 H LEU 79 17.911 16.007 0.570 608 HA LEU 79 HA LEU 79 16.432 15.621 3.102 609 1HB LEU 79 2HB LEU 79 17.931 13.757 2.582 610 2HB LEU 79 1HB LEU 79 19.284 14.875 2.410 611 HG LEU 79 HG LEU 79 19.023 15.565 4.762 612 1HD1 LEU 79 1HD1 LEU 79 17.470 13.912 6.106 613 2HD1 LEU 79 2HD1 LEU 79 16.651 13.737 4.553 614 3HD1 LEU 79 3HD1 LEU 79 16.771 15.324 5.313 615 1HD2 LEU 79 1HD2 LEU 79 19.942 13.593 5.743 616 2HD2 LEU 79 2HD2 LEU 79 20.394 13.519 4.039 617 3HD2 LEU 79 3HD2 LEU 79 19.054 12.542 4.639 618 H GLU 80 H GLU 80 16.510 17.213 4.554 619 HA GLU 80 HA GLU 80 18.799 19.011 4.679 620 1HB GLU 80 2HB GLU 80 17.368 20.085 2.997 621 2HB GLU 80 1HB GLU 80 16.005 20.035 4.116 622 1HG GLU 80 2HG GLU 80 17.058 22.251 4.171 623 2HG GLU 80 1HG GLU 80 17.285 21.430 5.716 624 H GLN 81 H GLN 81 18.968 20.102 6.651 625 HA GLN 81 HA GLN 81 17.208 19.046 8.766 626 1HB GLN 81 2HB GLN 81 19.670 18.664 8.960 627 2HB GLN 81 1HB GLN 81 19.895 20.412 9.044 628 1HG GLN 81 2HG GLN 81 18.453 20.507 11.041 629 2HG GLN 81 1HG GLN 81 18.222 18.762 10.960 630 1HE2 GLN 81 1HE2 GLN 81 19.325 19.654 13.306 631 2HE2 GLN 81 2HE2 GLN 81 20.988 19.320 13.362 632 H GLN 82 H GLN 82 16.248 20.408 10.278 633 HA GLN 82 HA GLN 82 15.908 23.183 9.364 634 1HB GLN 82 2HB GLN 82 14.292 22.014 11.588 635 2HB GLN 82 1HB GLN 82 13.814 23.152 10.329 636 1HG GLN 82 2HG GLN 82 14.296 20.178 10.013 637 2HG GLN 82 1HG GLN 82 12.763 21.032 9.839 638 1HE2 GLN 82 1HE2 GLN 82 14.773 19.491 7.900 639 2HE2 GLN 82 2HE2 GLN 82 14.804 20.517 6.548 640 H GLU 83 H GLU 83 15.513 24.778 11.231 641 HA GLU 83 HA GLU 83 17.905 24.937 12.772 642 1HB GLU 83 2HB GLU 83 16.865 26.950 13.754 643 2HB GLU 83 1HB GLU 83 16.736 26.946 11.995 644 1HG GLU 83 2HG GLU 83 14.565 27.532 12.681 645 2HG GLU 83 1HG GLU 83 14.437 25.798 12.390 646 H ASN 84 H ASN 84 14.630 23.863 13.435 647 HA ASN 84 HA ASN 84 14.746 23.825 16.251 648 1HB ASN 84 2HB ASN 84 12.955 22.052 16.024 649 2HB ASN 84 1HB ASN 84 12.620 23.568 15.189 650 1HD2 ASN 84 1HD2 ASN 84 14.561 20.641 14.327 651 2HD2 ASN 84 2HD2 ASN 84 13.824 20.430 12.812 652 H GLY 85 H GLY 85 16.112 21.737 13.838 653 1HA GLY 85 2HA GLY 85 17.980 20.327 14.365 654 2HA GLY 85 1HA GLY 85 17.316 20.110 15.982 655 H GLU 86 H GLU 86 15.935 19.750 12.712 656 HA GLU 86 HA GLU 86 15.504 16.891 13.243 657 1HB GLU 86 2HB GLU 86 13.344 18.833 12.389 658 2HB GLU 86 1HB GLU 86 13.172 17.077 12.405 659 1HG GLU 86 2HG GLU 86 13.671 17.066 14.834 660 2HG GLU 86 1HG GLU 86 13.783 18.824 14.807 661 H TRP 87 H TRP 87 15.210 15.625 11.348 662 HA TRP 87 HA TRP 87 16.260 16.928 8.918 663 1HB TRP 87 2HB TRP 87 16.340 14.086 9.919 664 2HB TRP 87 1HB TRP 87 16.687 14.488 8.238 665 HD1 TRP 87 HD TRP 87 18.159 14.578 11.688 666 HE1 TRP 87 1HE TRP 87 20.552 15.532 11.589 667 HE3 TRP 87 3HE TRP 87 18.240 16.253 6.865 668 HZ2 TRP 87 2HZ TRP 87 22.275 16.828 9.709 669 HZ3 TRP 87 3HZ TRP 87 20.272 17.331 5.942 670 HH2 TRP 87 HH TRP 87 22.285 17.626 7.359 671 H VAL 88 H VAL 88 15.203 16.756 6.972 672 HA VAL 88 HA VAL 88 12.561 15.428 7.011 673 HB VAL 88 HB VAL 88 13.277 18.120 5.827 674 1HG1 VAL 88 1HG1 VAL 88 10.780 18.114 5.275 675 2HG1 VAL 88 2HG1 VAL 88 10.818 16.376 5.574 676 3HG1 VAL 88 3HG1 VAL 88 11.792 17.069 4.277 677 1HG2 VAL 88 1HG2 VAL 88 11.708 18.999 7.433 678 2HG2 VAL 88 2HG2 VAL 88 12.812 17.945 8.317 679 3HG2 VAL 88 3HG2 VAL 88 11.194 17.378 7.901 680 H ALA 89 H ALA 89 12.114 14.153 5.307 681 HA ALA 89 HA ALA 89 13.802 14.364 2.899 682 1HB ALA 89 1HB ALA 89 13.092 11.750 4.247 683 2HB ALA 89 2HB ALA 89 14.659 12.546 4.393 684 3HB ALA 89 3HB ALA 89 14.107 11.967 2.821 685 H SER 90 H SER 90 12.328 15.006 1.434 686 HA SER 90 HA SER 90 9.775 13.518 1.304 687 1HB SER 90 2HB SER 90 8.689 15.448 0.570 688 2HB SER 90 1HB SER 90 9.823 16.086 1.758 689 HG SER 90 HG SER 90 11.072 16.856 0.169 690 H VAL 91 H VAL 91 9.134 12.648 -0.626 691 HA VAL 91 HA VAL 91 10.458 13.261 -3.108 692 HB VAL 91 HB VAL 91 12.067 11.710 -1.902 693 1HG1 VAL 91 1HG1 VAL 91 11.478 9.401 -1.653 694 2HG1 VAL 91 2HG1 VAL 91 9.967 9.624 -2.536 695 3HG1 VAL 91 3HG1 VAL 91 10.161 10.325 -0.930 696 1HG2 VAL 91 1HG2 VAL 91 12.273 11.895 -4.274 697 2HG2 VAL 91 2HG2 VAL 91 10.788 10.985 -4.547 698 3HG2 VAL 91 3HG2 VAL 91 12.227 10.163 -3.945 699 H VAL 92 H VAL 92 9.291 12.556 -4.872 700 HA VAL 92 HA VAL 92 6.709 11.279 -4.241 701 HB VAL 92 HB VAL 92 7.493 12.843 -6.711 702 1HG1 VAL 92 1HG1 VAL 92 4.816 11.920 -5.619 703 2HG1 VAL 92 2HG1 VAL 92 5.633 11.266 -7.038 704 3HG1 VAL 92 3HG1 VAL 92 5.040 12.926 -7.050 705 1HG2 VAL 92 1HG2 VAL 92 7.560 14.273 -4.714 706 2HG2 VAL 92 2HG2 VAL 92 5.969 13.689 -4.225 707 3HG2 VAL 92 3HG2 VAL 92 6.141 14.661 -5.687 708 H VAL 93 H VAL 93 6.201 9.334 -5.050 709 HA VAL 93 HA VAL 93 8.086 8.118 -6.978 710 HB VAL 93 HB VAL 93 6.327 6.732 -4.940 711 1HG1 VAL 93 1HG1 VAL 93 8.489 5.733 -6.820 712 2HG1 VAL 93 2HG1 VAL 93 6.768 5.354 -6.907 713 3HG1 VAL 93 3HG1 VAL 93 7.734 4.764 -5.554 714 1HG2 VAL 93 1HG2 VAL 93 9.340 7.065 -4.938 715 2HG2 VAL 93 2HG2 VAL 93 8.336 6.386 -3.657 716 3HG2 VAL 93 3HG2 VAL 93 8.255 8.110 -4.021 717 H TYR 94 H TYR 94 7.308 7.526 -8.905 718 HA TYR 94 HA TYR 94 4.457 7.861 -9.430 719 1HB TYR 94 2HB TYR 94 6.773 7.262 -11.286 720 2HB TYR 94 1HB TYR 94 5.113 7.575 -11.798 721 HD1 TYR 94 1HD TYR 94 8.248 9.063 -11.252 722 HD2 TYR 94 2HD TYR 94 4.048 9.786 -10.714 723 HE1 TYR 94 1HE TYR 94 8.680 11.503 -11.151 724 HE2 TYR 94 2HE TYR 94 4.480 12.225 -10.612 725 HH TYR 94 HH TYR 94 6.924 13.706 -11.717 726 HA PRO 95 HA PRO 95 3.301 3.643 -9.431 727 1HB PRO 95 2HB PRO 95 2.040 3.992 -12.091 728 2HB PRO 95 1HB PRO 95 1.302 3.551 -10.540 729 1HG PRO 95 2HG PRO 95 0.916 5.947 -11.618 730 2HG PRO 95 1HG PRO 95 1.084 5.736 -9.868 731 1HD PRO 95 2HD PRO 95 3.102 6.770 -11.842 732 2HD PRO 95 1HD PRO 95 2.746 7.338 -10.195 733 H CYS 96 H CYS 96 3.416 1.572 -10.685 734 HA CYS 96 HA CYS 96 4.857 0.044 -11.661 735 1HB CYS 96 2HB CYS 96 4.855 0.186 -14.029 736 2HB CYS 96 1HB CYS 96 3.359 0.967 -13.518 737 HG CYS 96 HG CYS 96 4.175 3.113 -14.448 738 H GLU 97 H GLU 97 6.088 2.501 -10.339 739 HA GLU 97 HA GLU 97 8.779 2.098 -11.462 740 1HB GLU 97 2HB GLU 97 7.429 4.747 -10.939 741 2HB GLU 97 1HB GLU 97 9.183 4.581 -11.041 742 1HG GLU 97 2HG GLU 97 7.300 3.615 -13.204 743 2HG GLU 97 1HG GLU 97 8.046 5.212 -13.217 744 H THR 98 H THR 98 10.473 2.348 -9.964 745 HA THR 98 HA THR 98 9.644 2.630 -7.141 746 HB THR 98 HB THR 98 11.831 0.737 -7.943 747 HG1 THR 98 1HG THR 98 9.114 0.014 -7.658 748 1HG2 THR 98 1HG2 THR 98 11.572 1.326 -5.579 749 2HG2 THR 98 2HG2 THR 98 11.110 -0.357 -5.836 750 3HG2 THR 98 3HG2 THR 98 9.867 0.877 -5.638 751 H GLU 99 H GLU 99 10.964 3.842 -5.874 752 HA GLU 99 HA GLU 99 13.547 4.718 -7.000 753 1HB GLU 99 2HB GLU 99 11.512 6.532 -5.684 754 2HB GLU 99 1HB GLU 99 13.096 7.012 -6.294 755 1HG GLU 99 2HG GLU 99 12.408 6.256 -8.570 756 2HG GLU 99 1HG GLU 99 10.802 5.902 -7.936 757 H MET 100 H MET 100 15.030 5.578 -5.387 758 HA MET 100 HA MET 100 14.879 4.070 -2.910 759 1HB MET 100 2HB MET 100 17.013 5.998 -3.854 760 2HB MET 100 1HB MET 100 17.156 4.821 -2.548 761 1HG MET 100 2HG MET 100 16.668 4.165 -5.468 762 2HG MET 100 1HG MET 100 18.197 3.965 -4.611 763 1HE MET 100 1HE MET 100 17.856 1.250 -2.210 764 2HE MET 100 2HE MET 100 17.048 2.693 -1.604 765 3HE MET 100 3HE MET 100 18.500 2.853 -2.590 766 H PHE 101 H PHE 101 14.997 4.982 -0.820 767 HA PHE 101 HA PHE 101 13.911 7.727 -0.673 768 1HB PHE 101 2HB PHE 101 12.406 5.968 0.189 769 2HB PHE 101 1HB PHE 101 13.659 5.465 1.326 770 HD1 PHE 101 1HD PHE 101 12.774 6.040 3.444 771 HD2 PHE 101 2HD PHE 101 12.696 8.909 0.248 772 HE1 PHE 101 1HE PHE 101 11.966 7.776 5.021 773 HE2 PHE 101 2HE PHE 101 11.905 10.649 1.828 774 HZ PHE 101 HZ PHE 101 11.533 10.079 4.213 775 H ILE 102 H ILE 102 14.936 6.195 2.215 776 HA ILE 102 HA ILE 102 17.476 7.702 2.200 777 HB ILE 102 HB ILE 102 17.091 8.468 4.443 778 1HG1 ILE 102 2HG1 ILE 102 14.693 7.922 5.386 779 2HG1 ILE 102 1HG1 ILE 102 14.791 6.537 4.297 780 1HG2 ILE 102 1HG2 ILE 102 14.439 8.868 3.055 781 2HG2 ILE 102 2HG2 ILE 102 15.919 9.607 2.442 782 3HG2 ILE 102 3HG2 ILE 102 15.335 10.011 4.056 783 1HD1 ILE 102 1HD1 ILE 102 16.217 5.462 5.673 784 2HD1 ILE 102 2HD1 ILE 102 15.894 6.717 6.869 785 3HD1 ILE 102 3HD1 ILE 102 17.269 6.875 5.774 786 H GLU 103 H GLU 103 19.039 6.923 3.804 787 HA GLU 103 HA GLU 103 18.606 4.110 4.595 788 1HB GLU 103 2HB GLU 103 20.857 3.538 3.883 789 2HB GLU 103 1HB GLU 103 19.975 4.220 2.516 790 1HG GLU 103 2HG GLU 103 20.996 6.446 3.036 791 2HG GLU 103 1HG GLU 103 21.966 5.667 4.285 792 H GLY 104 H GLY 104 20.718 3.483 5.979 793 1HA GLY 104 2HA GLY 104 22.235 4.140 7.695 794 2HA GLY 104 1HA GLY 104 21.405 5.691 7.797 795 H ARG 105 H ARG 105 21.393 5.267 10.128 796 HA ARG 105 HA ARG 105 19.530 3.182 11.021 797 1HB ARG 105 2HB ARG 105 21.742 3.501 12.165 798 2HB ARG 105 1HB ARG 105 21.181 5.086 12.697 799 1HG ARG 105 2HG ARG 105 19.233 3.993 13.801 800 2HG ARG 105 1HG ARG 105 19.884 2.421 13.338 801 1HD ARG 105 2HD ARG 105 21.302 4.464 15.072 802 2HD ARG 105 1HD ARG 105 20.510 3.004 15.657 803 HE ARG 105 HE ARG 105 22.375 2.249 13.697 804 1HH1 ARG 105 1HH2 ARG 105 22.234 3.679 16.846 805 2HH1 ARG 105 2HH2 ARG 105 23.779 3.072 17.341 806 1HH2 ARG 105 1HH1 ARG 105 24.402 1.451 14.341 807 2HH2 ARG 105 2HH1 ARG 105 25.006 1.811 15.923 808 H VAL 106 H VAL 106 17.607 3.615 12.049 809 HA VAL 106 HA VAL 106 16.776 6.453 12.144 810 HB VAL 106 HB VAL 106 14.877 4.192 11.558 811 1HG1 VAL 106 1HG1 VAL 106 14.175 6.563 12.296 812 2HG1 VAL 106 2HG1 VAL 106 13.432 5.925 10.829 813 3HG1 VAL 106 3HG1 VAL 106 14.752 7.089 10.713 814 1HG2 VAL 106 1HG2 VAL 106 15.138 4.969 9.133 815 2HG2 VAL 106 2HG2 VAL 106 16.470 4.012 9.781 816 3HG2 VAL 106 3HG2 VAL 106 16.626 5.763 9.651 817 H ASN 107 H ASN 107 15.819 7.130 13.977 818 HA ASN 107 HA ASN 107 14.760 5.186 15.890 819 1HB ASN 107 2HB ASN 107 16.120 6.669 17.651 820 2HB ASN 107 1HB ASN 107 16.802 5.214 16.927 821 1HD2 ASN 107 1HD2 ASN 107 17.715 8.258 17.673 822 2HD2 ASN 107 2HD2 ASN 107 18.785 8.580 16.394 823 H GLY 108 H GLY 108 12.817 5.929 16.440 824 1HA GLY 108 2HA GLY 108 11.078 7.362 16.914 825 2HA GLY 108 1HA GLY 108 12.307 8.415 17.610 826 H PHE 109 H PHE 109 10.155 7.921 14.995 827 HA PHE 109 HA PHE 109 10.837 10.529 13.898 828 1HB PHE 109 2HB PHE 109 11.036 9.647 11.583 829 2HB PHE 109 1HB PHE 109 12.338 9.086 12.633 830 HD1 PHE 109 1HD PHE 109 12.249 6.775 13.608 831 HD2 PHE 109 2HD PHE 109 9.452 8.119 10.638 832 HE1 PHE 109 1HE PHE 109 11.602 4.425 13.154 833 HE2 PHE 109 2HE PHE 109 8.808 5.768 10.181 834 HZ PHE 109 HZ PHE 109 9.882 3.921 11.441 835 H LYS 110 H LYS 110 9.211 11.363 12.484 836 HA LYS 110 HA LYS 110 6.596 10.040 12.842 837 1HB LYS 110 2HB LYS 110 7.222 12.932 12.194 838 2HB LYS 110 1HB LYS 110 5.618 12.258 12.478 839 1HG LYS 110 2HG LYS 110 6.480 11.499 14.756 840 2HG LYS 110 1HG LYS 110 7.894 12.511 14.455 841 1HD LYS 110 2HD LYS 110 5.010 13.454 14.495 842 2HD LYS 110 1HD LYS 110 6.219 13.762 15.744 843 1HE LYS 110 2HE LYS 110 6.111 14.836 12.929 844 2HE LYS 110 1HE LYS 110 6.261 15.728 14.442 845 1HZ LYS 110 1HZ LYS 110 8.298 14.256 12.939 846 2HZ LYS 110 2HZ LYS 110 8.437 14.313 14.631 847 3HZ LYS 110 3HZ LYS 110 8.410 15.753 13.729 848 H SER 111 H SER 111 5.489 9.333 11.116 849 HA SER 111 HA SER 111 6.586 9.954 8.443 850 1HB SER 111 2HB SER 111 5.002 7.516 9.267 851 2HB SER 111 1HB SER 111 5.796 7.789 7.719 852 HG SER 111 HG SER 111 7.724 8.125 9.261 853 H LYS 112 H LYS 112 5.275 10.755 6.900 854 HA LYS 112 HA LYS 112 2.368 10.714 7.299 855 1HB LYS 112 2HB LYS 112 3.187 12.849 8.269 856 2HB LYS 112 1HB LYS 112 3.915 13.251 6.713 857 1HG LYS 112 2HG LYS 112 1.791 13.355 5.633 858 2HG LYS 112 1HG LYS 112 0.979 12.588 6.999 859 1HD LYS 112 2HD LYS 112 0.564 15.017 6.996 860 2HD LYS 112 1HD LYS 112 1.511 14.549 8.409 861 1HE LYS 112 2HE LYS 112 3.508 15.423 7.514 862 2HE LYS 112 1HE LYS 112 2.868 15.441 5.871 863 1HZ LYS 112 1HZ LYS 112 1.374 17.020 7.774 864 2HZ LYS 112 2HZ LYS 112 1.863 17.398 6.192 865 3HZ LYS 112 3HZ LYS 112 2.950 17.577 7.486 866 H MET 113 H MET 113 1.446 10.039 5.472 867 HA MET 113 HA MET 113 2.745 10.714 2.904 868 1HB MET 113 2HB MET 113 1.492 8.053 3.619 869 2HB MET 113 1HB MET 113 2.207 8.483 2.065 870 1HG MET 113 2HG MET 113 3.981 7.380 3.110 871 2HG MET 113 1HG MET 113 4.322 9.063 3.510 872 1HE MET 113 1HE MET 113 2.999 5.644 6.198 873 2HE MET 113 2HE MET 113 3.763 5.604 4.611 874 3HE MET 113 3HE MET 113 2.067 6.059 4.753 875 H ASP 114 H ASP 114 1.183 10.199 1.038 876 HA ASP 114 HA ASP 114 -1.637 10.407 1.607 877 1HB ASP 114 2HB ASP 114 -0.681 12.768 1.894 878 2HB ASP 114 1HB ASP 114 -0.392 12.739 0.155 879 H ALA 115 H ALA 115 -2.853 10.799 -0.549 880 HA ALA 115 HA ALA 115 -1.359 9.506 -2.753 881 1HB ALA 115 1HB ALA 115 -2.981 7.970 -1.577 882 2HB ALA 115 2HB ALA 115 -3.281 8.181 -3.302 883 3HB ALA 115 3HB ALA 115 -4.277 9.033 -2.122 884 H LEU 116 H LEU 116 -0.990 11.539 -3.721 885 HA LEU 116 HA LEU 116 -3.290 13.173 -4.464 886 1HB LEU 116 2HB LEU 116 -0.473 13.640 -5.401 887 2HB LEU 116 1HB LEU 116 -1.750 14.817 -5.092 888 HG LEU 116 HG LEU 116 -0.253 13.189 -3.017 889 1HD1 LEU 116 1HD1 LEU 116 0.898 15.201 -4.024 890 2HD1 LEU 116 2HD1 LEU 116 0.619 15.321 -2.286 891 3HD1 LEU 116 3HD1 LEU 116 -0.427 16.190 -3.411 892 1HD2 LEU 116 1HD2 LEU 116 -2.501 13.367 -2.234 893 2HD2 LEU 116 2HD2 LEU 116 -2.654 15.021 -2.825 894 3HD2 LEU 116 3HD2 LEU 116 -1.626 14.672 -1.435 895 HA PRO 117 HA PRO 117 -3.780 11.414 -8.468 896 1HB PRO 117 2HB PRO 117 -4.729 13.570 -9.853 897 2HB PRO 117 1HB PRO 117 -5.696 12.679 -8.663 898 1HG PRO 117 2HG PRO 117 -4.254 15.267 -8.375 899 2HG PRO 117 1HG PRO 117 -5.839 14.780 -7.751 900 1HD PRO 117 2HD PRO 117 -3.587 14.840 -6.199 901 2HD PRO 117 1HD PRO 117 -4.939 13.724 -5.902 902 H LEU 118 H LEU 118 -2.563 11.072 -10.280 903 HA LEU 118 HA LEU 118 -0.003 12.014 -10.580 904 1HB LEU 118 2HB LEU 118 -1.831 11.253 -12.869 905 2HB LEU 118 1HB LEU 118 -0.068 11.189 -12.859 906 HG LEU 118 HG LEU 118 -1.891 9.583 -11.043 907 1HD1 LEU 118 1HD1 LEU 118 -0.078 8.546 -13.225 908 2HD1 LEU 118 2HD1 LEU 118 -1.756 8.983 -13.546 909 3HD1 LEU 118 3HD1 LEU 118 -1.383 7.700 -12.394 910 1HD2 LEU 118 1HD2 LEU 118 0.086 9.843 -9.820 911 2HD2 LEU 118 2HD2 LEU 118 1.088 9.929 -11.269 912 3HD2 LEU 118 3HD2 LEU 118 0.430 8.380 -10.741 913 H SER 119 H SER 119 0.487 14.136 -10.519 914 HA SER 119 HA SER 119 -1.117 16.156 -11.777 915 1HB SER 119 2HB SER 119 1.580 16.154 -10.437 916 2HB SER 119 1HB SER 119 0.944 17.593 -11.230 917 HG SER 119 HG SER 119 0.274 17.670 -9.125 918 H GLU 120 H GLU 120 0.416 17.848 -13.093 919 HA GLU 120 HA GLU 120 0.687 16.744 -15.660 920 1HB GLU 120 2HB GLU 120 1.687 18.860 -16.289 921 2HB GLU 120 1HB GLU 120 0.366 19.170 -15.163 922 1HG GLU 120 2HG GLU 120 2.076 19.194 -13.303 923 2HG GLU 120 1HG GLU 120 3.329 19.133 -14.541 924 H GLU 121 H GLU 121 2.966 17.101 -13.023 925 HA GLU 121 HA GLU 121 5.379 16.748 -14.393 926 1HB GLU 121 2HB GLU 121 6.323 16.107 -12.281 927 2HB GLU 121 1HB GLU 121 5.100 17.335 -11.955 928 1HG GLU 121 2HG GLU 121 3.463 15.426 -11.563 929 2HG GLU 121 1HG GLU 121 4.853 14.342 -11.596 930 H TYR 122 H TYR 122 3.013 14.390 -13.249 931 HA TYR 122 HA TYR 122 4.515 12.052 -13.704 932 1HB TYR 122 2HB TYR 122 2.503 11.864 -12.438 933 2HB TYR 122 1HB TYR 122 1.541 12.578 -13.733 934 HD1 TYR 122 1HD TYR 122 3.799 9.673 -13.029 935 HD2 TYR 122 2HD TYR 122 0.481 11.191 -15.296 936 HE1 TYR 122 1HE TYR 122 3.439 7.422 -14.010 937 HE2 TYR 122 2HE TYR 122 0.123 8.943 -16.278 938 HH TYR 122 HH TYR 122 0.730 6.441 -15.409 939 H ARG 123 H ARG 123 2.415 13.951 -15.831 940 HA ARG 123 HA ARG 123 2.386 12.233 -18.045 941 1HB ARG 123 2HB ARG 123 2.343 15.262 -18.008 942 2HB ARG 123 1HB ARG 123 1.856 14.244 -19.364 943 1HG ARG 123 2HG ARG 123 0.172 13.156 -17.819 944 2HG ARG 123 1HG ARG 123 0.560 14.403 -16.632 945 1HD ARG 123 2HD ARG 123 -1.375 15.151 -17.861 946 2HD ARG 123 1HD ARG 123 -0.004 16.128 -18.379 947 HE ARG 123 HE ARG 123 -0.105 13.998 -20.144 948 1HH1 ARG 123 1HH2 ARG 123 -2.197 16.539 -19.075 949 2HH1 ARG 123 2HH2 ARG 123 -3.043 16.664 -20.581 950 1HH2 ARG 123 1HH1 ARG 123 -1.207 14.158 -22.123 951 2HH2 ARG 123 2HH1 ARG 123 -2.482 15.316 -22.307 952 H GLN 124 H GLN 124 4.692 14.755 -17.102 953 HA GLN 124 HA GLN 124 6.322 14.534 -19.430 954 1HB GLN 124 2HB GLN 124 6.298 16.505 -17.892 955 2HB GLN 124 1HB GLN 124 7.122 15.519 -16.684 956 1HG GLN 124 2HG GLN 124 8.989 15.147 -18.241 957 2HG GLN 124 1HG GLN 124 8.164 16.104 -19.471 958 1HE2 GLN 124 1HE2 GLN 124 10.626 17.068 -18.813 959 2HE2 GLN 124 2HE2 GLN 124 10.509 18.428 -17.802 960 H HIS 125 H HIS 125 6.354 13.002 -16.251 961 HA HIS 125 HA HIS 125 8.858 11.772 -16.339 962 1HB HIS 125 2HB HIS 125 7.665 11.675 -14.292 963 2HB HIS 125 1HB HIS 125 6.251 10.951 -15.059 964 HD1 HIS 125 1HD HIS 125 9.833 10.124 -14.127 965 HD2 HIS 125 2HD HIS 125 6.332 8.162 -15.256 966 HE1 HIS 125 1HE HIS 125 10.273 7.647 -13.833 967 HE2 HIS 125 2HE HIS 125 8.149 6.438 -14.519 968 H GLN 126 H GLN 126 5.816 10.883 -17.855 969 HA GLN 126 HA GLN 126 6.933 8.363 -18.837 970 1HB GLN 126 2HB GLN 126 4.194 9.589 -19.255 971 2HB GLN 126 1HB GLN 126 4.681 7.957 -19.714 972 1HG GLN 126 2HG GLN 126 4.881 8.966 -16.871 973 2HG GLN 126 1HG GLN 126 3.437 8.167 -17.491 974 1HE2 GLN 126 1HE2 GLN 126 3.446 5.897 -17.492 975 2HE2 GLN 126 2HE2 GLN 126 4.822 4.948 -17.197 976 H ALA 127 H ALA 127 6.137 11.585 -19.929 977 HA ALA 127 HA ALA 127 6.159 11.096 -22.719 978 1HB ALA 127 1HB ALA 127 5.366 13.194 -21.429 979 2HB ALA 127 2HB ALA 127 6.178 13.432 -22.977 980 3HB ALA 127 3HB ALA 127 7.061 13.683 -21.471 981 H GLU 128 H GLU 128 8.696 11.870 -20.389 982 HA GLU 128 HA GLU 128 10.775 12.317 -22.265 983 1HB GLU 128 2HB GLU 128 12.270 12.167 -20.400 984 2HB GLU 128 1HB GLU 128 10.798 12.943 -19.813 985 1HG GLU 128 2HG GLU 128 11.117 11.345 -18.162 986 2HG GLU 128 1HG GLU 128 10.080 10.455 -19.275 987 H LYS 129 H LYS 129 9.509 9.422 -20.710 988 HA LYS 129 HA LYS 129 11.575 7.636 -21.394 989 1HB LYS 129 2HB LYS 129 8.615 7.189 -20.962 990 2HB LYS 129 1HB LYS 129 9.781 5.882 -21.176 991 1HG LYS 129 2HG LYS 129 11.055 6.681 -19.228 992 2HG LYS 129 1HG LYS 129 9.911 8.007 -19.015 993 1HD LYS 129 2HD LYS 129 9.336 6.191 -17.486 994 2HD LYS 129 1HD LYS 129 8.083 6.337 -18.720 995 1HE LYS 129 2HE LYS 129 10.371 4.493 -19.264 996 2HE LYS 129 1HE LYS 129 9.146 3.971 -18.108 997 1HZ LYS 129 1HZ LYS 129 8.929 3.642 -20.739 998 2HZ LYS 129 2HZ LYS 129 8.143 5.139 -20.566 999 3HZ LYS 129 3HZ LYS 129 7.594 3.783 -19.703 1000 H ASP 130 H ASP 130 8.968 9.006 -23.253 1001 HA ASP 130 HA ASP 130 8.310 8.743 -25.442 1002 1HB ASP 130 2HB ASP 130 11.262 8.119 -25.668 1003 2HB ASP 130 1HB ASP 130 10.199 8.393 -27.048 1004 H LYS 131 H LYS 131 10.830 6.323 -25.775 1005 HA LYS 131 HA LYS 131 8.923 4.391 -26.749 1006 1HB LYS 131 2HB LYS 131 11.849 3.944 -26.133 1007 2HB LYS 131 1HB LYS 131 10.827 3.021 -27.235 1008 1HG LYS 131 2HG LYS 131 11.518 5.954 -27.569 1009 2HG LYS 131 1HG LYS 131 12.293 4.632 -28.441 1010 1HD LYS 131 2HD LYS 131 9.905 3.963 -29.165 1011 2HD LYS 131 1HD LYS 131 9.434 5.576 -28.629 1012 1HE LYS 131 2HE LYS 131 11.421 4.853 -30.792 1013 2HE LYS 131 1HE LYS 131 9.927 5.774 -30.962 1014 1HZ LYS 131 1HZ LYS 131 11.554 7.396 -30.898 1015 2HZ LYS 131 2HZ LYS 131 12.473 6.591 -29.719 1016 3HZ LYS 131 3HZ LYS 131 11.019 7.357 -29.289 Start of MODEL 24 1 H MET 1 1H MET 1 -13.567 -13.628 21.852 2 HA MET 1 HA MET 1 -15.089 -12.728 20.404 3 1HB MET 1 2HB MET 1 -13.614 -10.597 20.258 4 2HB MET 1 1HB MET 1 -12.907 -11.360 18.834 5 1HG MET 1 2HG MET 1 -15.887 -10.967 19.204 6 2HG MET 1 1HG MET 1 -14.856 -9.828 18.337 7 1HE MET 1 1HE MET 1 -13.445 -11.581 15.428 8 2HE MET 1 2HE MET 1 -13.252 -10.411 16.731 9 3HE MET 1 3HE MET 1 -14.534 -10.191 15.543 10 H GLY 2 H GLY 2 -15.761 -14.324 19.122 11 1HA GLY 2 2HA GLY 2 -15.787 -15.736 17.265 12 2HA GLY 2 1HA GLY 2 -14.128 -15.261 16.911 13 H CYS 3 H CYS 3 -13.910 -17.622 16.514 14 HA CYS 3 HA CYS 3 -14.082 -19.490 18.658 15 1HB CYS 3 2HB CYS 3 -12.603 -20.887 17.117 16 2HB CYS 3 1HB CYS 3 -14.157 -20.380 16.456 17 HG CYS 3 HG CYS 3 -11.509 -18.853 15.776 18 H GLY 4 H GLY 4 -12.226 -16.889 18.573 19 1HA GLY 4 2HA GLY 4 -10.458 -16.326 19.985 20 2HA GLY 4 1HA GLY 4 -10.231 -18.035 20.342 21 H ALA 5 H ALA 5 -10.459 -17.024 17.036 22 HA ALA 5 HA ALA 5 -7.984 -18.163 16.309 23 1HB ALA 5 1HB ALA 5 -9.945 -17.739 14.780 24 2HB ALA 5 2HB ALA 5 -8.384 -17.246 14.125 25 3HB ALA 5 3HB ALA 5 -9.490 -16.035 14.775 26 H SER 6 H SER 6 -8.863 -14.974 17.407 27 HA SER 6 HA SER 6 -7.623 -13.092 17.852 28 1HB SER 6 2HB SER 6 -5.310 -15.041 17.920 29 2HB SER 6 1HB SER 6 -5.358 -13.442 18.657 30 HG SER 6 HG SER 6 -6.192 -15.760 19.656 31 H SER 7 H SER 7 -5.409 -11.966 17.134 32 HA SER 7 HA SER 7 -5.650 -11.536 14.333 33 1HB SER 7 2HB SER 7 -3.914 -9.926 14.597 34 2HB SER 7 1HB SER 7 -4.861 -9.865 16.081 35 HG SER 7 HG SER 7 -3.026 -10.255 17.022 36 H GLU 8 H GLU 8 -3.856 -11.734 12.777 37 HA GLU 8 HA GLU 8 -1.971 -13.915 13.348 38 1HB GLU 8 2HB GLU 8 -2.550 -15.075 11.278 39 2HB GLU 8 1HB GLU 8 -3.970 -14.954 12.317 40 1HG GLU 8 2HG GLU 8 -4.639 -12.891 11.043 41 2HG GLU 8 1HG GLU 8 -3.308 -13.208 9.931 42 H ASN 9 H ASN 9 -0.268 -14.084 11.699 43 HA ASN 9 HA ASN 9 0.632 -11.456 10.901 44 1HB ASN 9 2HB ASN 9 1.864 -14.185 10.458 45 2HB ASN 9 1HB ASN 9 2.658 -12.641 10.154 46 1HD2 ASN 9 1HD2 ASN 9 3.165 -14.891 12.231 47 2HD2 ASN 9 2HD2 ASN 9 3.250 -14.053 13.705 48 H SER 10 H SER 10 1.303 -10.919 8.730 49 HA SER 10 HA SER 10 -0.060 -12.447 6.607 50 1HB SER 10 2HB SER 10 -0.894 -10.399 5.606 51 2HB SER 10 1HB SER 10 -1.465 -10.501 7.270 52 HG SER 10 HG SER 10 0.339 -9.153 7.830 53 H SER 11 H SER 11 0.827 -12.142 4.493 54 HA SER 11 HA SER 11 3.684 -11.473 4.574 55 1HB SER 11 2HB SER 11 3.826 -12.688 2.461 56 2HB SER 11 1HB SER 11 3.000 -13.674 3.666 57 HG SER 11 HG SER 11 1.065 -13.197 2.712 58 H VAL 12 H VAL 12 3.419 -11.252 1.527 59 HA VAL 12 HA VAL 12 2.390 -8.485 1.408 60 HB VAL 12 HB VAL 12 4.893 -9.375 -0.021 61 1HG1 VAL 12 1HG1 VAL 12 5.218 -7.051 -0.400 62 2HG1 VAL 12 2HG1 VAL 12 4.020 -6.606 0.816 63 3HG1 VAL 12 3HG1 VAL 12 3.503 -7.322 -0.711 64 1HG2 VAL 12 1HG2 VAL 12 4.648 -7.979 2.665 65 2HG2 VAL 12 2HG2 VAL 12 6.153 -8.238 1.782 66 3HG2 VAL 12 3HG2 VAL 12 5.251 -9.618 2.409 67 H THR 13 H THR 13 1.305 -7.945 -0.433 68 HA THR 13 HA THR 13 1.289 -9.879 -2.656 69 HB THR 13 HB THR 13 -0.669 -10.265 -1.104 70 HG1 THR 13 1HG THR 13 -1.495 -10.926 -2.897 71 1HG2 THR 13 1HG2 THR 13 -1.685 -7.647 -2.217 72 2HG2 THR 13 2HG2 THR 13 -0.895 -7.754 -0.643 73 3HG2 THR 13 3HG2 THR 13 -2.393 -8.635 -0.939 74 H TYR 14 H TYR 14 0.843 -8.998 -4.682 75 HA TYR 14 HA TYR 14 0.569 -6.060 -4.804 76 1HB TYR 14 2HB TYR 14 2.492 -7.770 -6.399 77 2HB TYR 14 1HB TYR 14 2.175 -6.062 -6.705 78 HD1 TYR 14 1HD TYR 14 4.311 -8.294 -5.043 79 HD2 TYR 14 2HD TYR 14 2.308 -4.534 -4.497 80 HE1 TYR 14 1HE TYR 14 5.954 -7.673 -3.293 81 HE2 TYR 14 2HE TYR 14 3.951 -3.912 -2.748 82 HH TYR 14 HH TYR 14 6.790 -5.879 -2.112 83 H VAL 15 H VAL 15 -0.085 -5.326 -7.023 84 HA VAL 15 HA VAL 15 -1.606 -7.341 -8.526 85 HB VAL 15 HB VAL 15 -3.449 -6.644 -7.371 86 1HG1 VAL 15 1HG1 VAL 15 -3.572 -4.193 -6.516 87 2HG1 VAL 15 2HG1 VAL 15 -1.847 -4.138 -6.880 88 3HG1 VAL 15 3HG1 VAL 15 -2.463 -5.298 -5.705 89 1HG2 VAL 15 1HG2 VAL 15 -3.524 -5.758 -9.795 90 2HG2 VAL 15 2HG2 VAL 15 -3.227 -4.169 -9.091 91 3HG2 VAL 15 3HG2 VAL 15 -4.679 -5.070 -8.655 92 H ASN 16 H ASN 16 -1.165 -3.795 -8.401 93 HA ASN 16 HA ASN 16 -1.307 -3.407 -11.184 94 1HB ASN 16 2HB ASN 16 -0.018 -1.762 -9.002 95 2HB ASN 16 1HB ASN 16 -0.160 -1.220 -10.673 96 1HD2 ASN 16 1HD2 ASN 16 -1.654 -0.825 -7.774 97 2HD2 ASN 16 2HD2 ASN 16 -3.254 -0.601 -8.293 98 H GLY 17 H GLY 17 1.329 -4.339 -9.091 99 1HA GLY 17 2HA GLY 17 2.932 -5.458 -11.039 100 2HA GLY 17 1HA GLY 17 3.448 -3.778 -10.930 101 H ARG 18 H ARG 18 5.204 -5.810 -10.308 102 HA ARG 18 HA ARG 18 5.258 -6.034 -7.386 103 1HB ARG 18 2HB ARG 18 6.702 -7.375 -9.644 104 2HB ARG 18 1HB ARG 18 7.422 -7.376 -8.033 105 1HG ARG 18 2HG ARG 18 5.984 -9.378 -8.447 106 2HG ARG 18 1HG ARG 18 5.420 -8.400 -7.091 107 1HD ARG 18 2HD ARG 18 3.607 -9.137 -8.701 108 2HD ARG 18 1HD ARG 18 3.692 -7.400 -8.419 109 HE ARG 18 HE ARG 18 5.284 -7.833 -10.625 110 1HH1 ARG 18 1HH2 ARG 18 2.019 -8.511 -9.699 111 2HH1 ARG 18 2HH2 ARG 18 1.395 -8.407 -11.312 112 1HH2 ARG 18 1HH1 ARG 18 4.471 -7.695 -12.742 113 2HH2 ARG 18 2HH1 ARG 18 2.783 -7.945 -13.034 114 HA PRO 19 HA PRO 19 8.231 -2.826 -6.939 115 1HB PRO 19 2HB PRO 19 9.474 -3.590 -4.646 116 2HB PRO 19 1HB PRO 19 7.800 -3.001 -4.677 117 1HG PRO 19 2HG PRO 19 8.825 -5.783 -4.469 118 2HG PRO 19 1HG PRO 19 7.424 -5.030 -3.689 119 1HD PRO 19 2HD PRO 19 7.269 -6.675 -5.913 120 2HD PRO 19 1HD PRO 19 6.038 -5.474 -5.467 121 H THR 20 H THR 20 10.168 -2.389 -7.841 122 HA THR 20 HA THR 20 11.829 -4.429 -8.898 123 HB THR 20 HB THR 20 12.502 -1.511 -8.451 124 HG1 THR 20 1HG THR 20 10.894 -2.863 -10.257 125 1HG2 THR 20 1HG2 THR 20 14.467 -2.818 -8.990 126 2HG2 THR 20 2HG2 THR 20 13.986 -1.929 -10.436 127 3HG2 THR 20 3HG2 THR 20 13.612 -3.647 -10.291 128 H PHE 21 H PHE 21 11.865 -2.610 -5.911 129 HA PHE 21 HA PHE 21 14.403 -3.919 -5.147 130 1HB PHE 21 2HB PHE 21 14.349 -1.421 -5.068 131 2HB PHE 21 1HB PHE 21 13.066 -1.526 -3.862 132 HD1 PHE 21 1HD PHE 21 16.599 -2.462 -4.571 133 HD2 PHE 21 2HD PHE 21 13.549 -2.010 -1.581 134 HE1 PHE 21 1HE PHE 21 18.297 -2.779 -2.791 135 HE2 PHE 21 2HE PHE 21 15.246 -2.326 0.199 136 HZ PHE 21 HZ PHE 21 17.620 -2.711 -0.406 137 H VAL 22 H VAL 22 14.462 -5.284 -3.437 138 HA VAL 22 HA VAL 22 12.062 -5.516 -1.742 139 HB VAL 22 HB VAL 22 13.454 -8.028 -2.526 140 1HG1 VAL 22 1HG1 VAL 22 10.509 -7.378 -2.268 141 2HG1 VAL 22 2HG1 VAL 22 11.515 -7.792 -0.881 142 3HG1 VAL 22 3HG1 VAL 22 11.277 -8.962 -2.178 143 1HG2 VAL 22 1HG2 VAL 22 13.225 -7.022 -4.703 144 2HG2 VAL 22 2HG2 VAL 22 11.605 -6.438 -4.325 145 3HG2 VAL 22 3HG2 VAL 22 11.894 -8.166 -4.526 146 H GLY 23 H GLY 23 12.578 -5.472 0.346 147 1HA GLY 23 2HA GLY 23 15.380 -5.974 1.118 148 2HA GLY 23 1HA GLY 23 14.220 -5.020 2.039 149 H GLU 24 H GLU 24 13.295 -5.979 3.738 150 HA GLU 24 HA GLU 24 12.862 -8.881 3.713 151 1HB GLU 24 2HB GLU 24 13.914 -9.200 5.868 152 2HB GLU 24 1HB GLU 24 15.087 -8.457 4.778 153 1HG GLU 24 2HG GLU 24 15.350 -7.054 6.585 154 2HG GLU 24 1HG GLU 24 14.021 -6.218 5.784 155 H GLU 25 H GLU 25 12.376 -5.763 5.306 156 HA GLU 25 HA GLU 25 9.921 -6.798 6.563 157 1HB GLU 25 2HB GLU 25 11.624 -5.561 7.955 158 2HB GLU 25 1HB GLU 25 11.249 -4.119 7.012 159 1HG GLU 25 2HG GLU 25 9.882 -4.042 8.991 160 2HG GLU 25 1HG GLU 25 8.822 -4.451 7.643 161 H VAL 26 H VAL 26 7.991 -6.311 5.740 162 HA VAL 26 HA VAL 26 7.741 -3.947 3.993 163 HB VAL 26 HB VAL 26 6.307 -6.502 3.334 164 1HG1 VAL 26 1HG1 VAL 26 5.643 -4.350 2.277 165 2HG1 VAL 26 2HG1 VAL 26 6.284 -5.496 1.100 166 3HG1 VAL 26 3HG1 VAL 26 7.289 -4.162 1.670 167 1HG2 VAL 26 1HG2 VAL 26 8.633 -7.173 3.391 168 2HG2 VAL 26 2HG2 VAL 26 9.126 -5.705 2.548 169 3HG2 VAL 26 3HG2 VAL 26 8.186 -6.933 1.702 170 H THR 27 H THR 27 6.023 -2.716 4.451 171 HA THR 27 HA THR 27 3.650 -3.893 5.687 172 HB THR 27 HB THR 27 4.970 -3.296 7.633 173 HG1 THR 27 1HG THR 27 3.077 -2.677 8.276 174 1HG2 THR 27 1HG2 THR 27 6.523 -1.728 6.630 175 2HG2 THR 27 2HG2 THR 27 5.675 -0.910 7.943 176 3HG2 THR 27 3HG2 THR 27 5.214 -0.603 6.269 177 H LYS 28 H LYS 28 1.780 -2.737 5.291 178 HA LYS 28 HA LYS 28 1.987 -0.731 3.186 179 1HB LYS 28 2HB LYS 28 -0.497 -0.955 3.112 180 2HB LYS 28 1HB LYS 28 0.343 -2.489 2.886 181 1HG LYS 28 2HG LYS 28 0.048 -2.947 5.334 182 2HG LYS 28 1HG LYS 28 -0.931 -1.482 5.446 183 1HD LYS 28 2HD LYS 28 -2.511 -2.394 3.798 184 2HD LYS 28 1HD LYS 28 -1.526 -3.851 3.647 185 1HE LYS 28 2HE LYS 28 -3.546 -3.996 5.225 186 2HE LYS 28 1HE LYS 28 -1.996 -4.527 5.879 187 1HZ LYS 28 1HZ LYS 28 -2.547 -1.709 6.202 188 2HZ LYS 28 2HZ LYS 28 -1.925 -2.832 7.315 189 3HZ LYS 28 3HZ LYS 28 -3.601 -2.730 7.053 190 H GLY 29 H GLY 29 1.661 1.398 3.440 191 1HA GLY 29 2HA GLY 29 1.639 2.605 5.987 192 2HA GLY 29 1HA GLY 29 1.311 3.428 4.464 193 H PHE 30 H PHE 30 -0.929 2.905 3.524 194 HA PHE 30 HA PHE 30 -2.889 3.391 5.629 195 1HB PHE 30 2HB PHE 30 -3.069 3.455 2.611 196 2HB PHE 30 1HB PHE 30 -4.431 3.778 3.684 197 HD1 PHE 30 1HD PHE 30 -1.710 5.237 1.951 198 HD2 PHE 30 2HD PHE 30 -3.968 5.549 5.593 199 HE1 PHE 30 1HE PHE 30 -0.940 7.578 2.227 200 HE2 PHE 30 2HE PHE 30 -3.198 7.891 5.869 201 HZ PHE 30 HZ PHE 30 -1.685 8.905 4.185 202 H GLU 31 H GLU 31 -4.220 1.892 6.415 203 HA GLU 31 HA GLU 31 -4.027 -0.836 5.672 204 1HB GLU 31 2HB GLU 31 -6.116 0.617 7.312 205 2HB GLU 31 1HB GLU 31 -5.975 -1.137 7.191 206 1HG GLU 31 2HG GLU 31 -3.648 -0.985 8.054 207 2HG GLU 31 1HG GLU 31 -3.854 0.755 8.244 208 H LYS 32 H LYS 32 -6.155 1.768 4.698 209 HA LYS 32 HA LYS 32 -8.209 0.202 3.535 210 1HB LYS 32 2HB LYS 32 -8.327 2.668 4.068 211 2HB LYS 32 1HB LYS 32 -7.324 2.952 2.644 212 1HG LYS 32 2HG LYS 32 -9.525 3.188 1.824 213 2HG LYS 32 1HG LYS 32 -9.090 1.539 1.375 214 1HD LYS 32 2HD LYS 32 -10.343 0.606 3.170 215 2HD LYS 32 1HD LYS 32 -10.503 2.170 3.970 216 1HE LYS 32 2HE LYS 32 -12.585 1.439 2.766 217 2HE LYS 32 1HE LYS 32 -11.955 2.990 2.211 218 1HZ LYS 32 1HZ LYS 32 -11.036 2.003 0.308 219 2HZ LYS 32 2HZ LYS 32 -12.597 1.346 0.435 220 3HZ LYS 32 3HZ LYS 32 -11.245 0.430 0.906 221 H ASP 33 H ASP 33 -8.511 -0.546 1.462 222 HA ASP 33 HA ASP 33 -7.987 -1.225 -0.675 223 1HB ASP 33 2HB ASP 33 -5.594 0.592 -0.672 224 2HB ASP 33 1HB ASP 33 -6.627 0.120 -2.020 225 H ASN 34 H ASN 34 -5.908 -2.055 -1.958 226 HA ASN 34 HA ASN 34 -4.940 -4.287 -0.637 227 1HB ASN 34 2HB ASN 34 -3.377 -4.537 -2.444 228 2HB ASN 34 1HB ASN 34 -4.861 -3.860 -3.113 229 1HD2 ASN 34 1HD2 ASN 34 -4.429 -2.196 -4.556 230 2HD2 ASN 34 2HD2 ASN 34 -3.135 -1.105 -4.428 231 H GLY 35 H GLY 35 -3.676 -1.016 -0.696 232 1HA GLY 35 2HA GLY 35 -2.383 -0.886 1.644 233 2HA GLY 35 1HA GLY 35 -1.215 -1.768 0.666 234 H LEU 36 H LEU 36 -2.381 -0.188 -1.717 235 HA LEU 36 HA LEU 36 -1.839 1.700 -2.905 236 1HB LEU 36 2HB LEU 36 -1.417 3.058 -0.240 237 2HB LEU 36 1HB LEU 36 -1.874 3.797 -1.775 238 HG LEU 36 HG LEU 36 -3.547 1.895 -0.112 239 1HD1 LEU 36 1HD1 LEU 36 -4.963 3.755 0.287 240 2HD1 LEU 36 2HD1 LEU 36 -4.217 4.702 -1.001 241 3HD1 LEU 36 3HD1 LEU 36 -3.332 4.396 0.493 242 1HD2 LEU 36 1HD2 LEU 36 -5.273 2.527 -1.949 243 2HD2 LEU 36 2HD2 LEU 36 -4.056 1.314 -2.344 244 3HD2 LEU 36 3HD2 LEU 36 -3.864 2.972 -2.912 245 H LEU 37 H LEU 37 0.211 1.944 0.011 246 HA LEU 37 HA LEU 37 2.580 1.774 -1.747 247 1HB LEU 37 2HB LEU 37 2.100 4.140 -1.071 248 2HB LEU 37 1HB LEU 37 2.306 3.650 0.610 249 HG LEU 37 HG LEU 37 4.591 2.697 -0.172 250 1HD1 LEU 37 1HD1 LEU 37 5.426 3.313 -2.223 251 2HD1 LEU 37 2HD1 LEU 37 4.522 4.828 -2.252 252 3HD1 LEU 37 3HD1 LEU 37 3.712 3.310 -2.641 253 1HD2 LEU 37 1HD2 LEU 37 3.891 5.622 0.097 254 2HD2 LEU 37 2HD2 LEU 37 5.564 5.097 -0.092 255 3HD2 LEU 37 3HD2 LEU 37 4.621 4.554 1.296 256 H PHE 38 H PHE 38 4.142 0.434 -1.053 257 HA PHE 38 HA PHE 38 3.824 -0.755 1.634 258 1HB PHE 38 2HB PHE 38 5.074 -1.843 -0.897 259 2HB PHE 38 1HB PHE 38 5.196 -2.637 0.673 260 HD1 PHE 38 1HD PHE 38 3.256 -3.667 1.727 261 HD2 PHE 38 2HD PHE 38 2.918 -1.665 -2.058 262 HE1 PHE 38 1HE PHE 38 1.018 -4.681 1.391 263 HE2 PHE 38 2HE PHE 38 0.680 -2.679 -2.394 264 HZ PHE 38 HZ PHE 38 -0.270 -4.188 -0.670 265 H ARG 39 H ARG 39 5.452 -0.637 3.083 266 HA ARG 39 HA ARG 39 7.720 1.072 2.415 267 1HB ARG 39 2HB ARG 39 6.307 1.249 4.554 268 2HB ARG 39 1HB ARG 39 7.174 -0.190 5.095 269 1HG ARG 39 2HG ARG 39 9.319 0.961 4.803 270 2HG ARG 39 1HG ARG 39 8.487 2.391 4.192 271 1HD ARG 39 2HD ARG 39 8.970 2.786 6.518 272 2HD ARG 39 1HD ARG 39 7.238 2.496 6.381 273 HE ARG 39 HE ARG 39 8.424 0.025 6.893 274 1HH1 ARG 39 1HH2 ARG 39 8.112 3.134 8.380 275 2HH1 ARG 39 2HH2 ARG 39 8.179 2.520 9.998 276 1HH2 ARG 39 1HH1 ARG 39 8.512 -0.787 9.012 277 2HH2 ARG 39 2HH1 ARG 39 8.405 0.300 10.356 278 H ILE 40 H ILE 40 9.288 0.001 1.342 279 HA ILE 40 HA ILE 40 10.054 -2.695 2.202 280 HB ILE 40 HB ILE 40 11.239 -1.111 -0.078 281 1HG1 ILE 40 2HG1 ILE 40 8.799 -2.920 -0.091 282 2HG1 ILE 40 1HG1 ILE 40 8.785 -1.174 -0.346 283 1HG2 ILE 40 1HG2 ILE 40 10.916 -4.087 0.414 284 2HG2 ILE 40 2HG2 ILE 40 12.399 -3.177 0.698 285 3HG2 ILE 40 3HG2 ILE 40 11.763 -3.339 -0.939 286 1HD1 ILE 40 1HD1 ILE 40 10.547 -1.750 -2.231 287 2HD1 ILE 40 2HD1 ILE 40 8.821 -1.929 -2.544 288 3HD1 ILE 40 3HD1 ILE 40 9.796 -3.344 -2.150 289 H VAL 41 H VAL 41 11.637 -2.966 3.630 290 HA VAL 41 HA VAL 41 13.785 -0.940 3.765 291 HB VAL 41 HB VAL 41 12.490 -2.341 6.117 292 1HG1 VAL 41 1HG1 VAL 41 14.785 -0.396 5.828 293 2HG1 VAL 41 2HG1 VAL 41 14.768 -1.949 6.664 294 3HG1 VAL 41 3HG1 VAL 41 13.902 -0.572 7.345 295 1HG2 VAL 41 1HG2 VAL 41 11.483 -0.239 6.644 296 2HG2 VAL 41 2HG2 VAL 41 11.166 -0.495 4.928 297 3HG2 VAL 41 3HG2 VAL 41 12.447 0.607 5.433 298 H ASN 42 H ASN 42 15.786 -1.746 3.657 299 HA ASN 42 HA ASN 42 16.117 -4.670 3.947 300 1HB ASN 42 2HB ASN 42 16.602 -3.504 1.700 301 2HB ASN 42 1HB ASN 42 18.028 -2.845 2.501 302 1HD2 ASN 42 1HD2 ASN 42 16.586 -6.096 2.980 303 2HD2 ASN 42 2HD2 ASN 42 17.952 -6.947 2.441 304 H LYS 43 H LYS 43 16.722 -4.965 6.031 305 HA LYS 43 HA LYS 43 18.161 -3.226 7.655 306 1HB LYS 43 2HB LYS 43 17.975 -6.242 7.678 307 2HB LYS 43 1HB LYS 43 18.771 -5.314 8.950 308 1HG LYS 43 2HG LYS 43 16.632 -4.004 9.222 309 2HG LYS 43 1HG LYS 43 15.866 -5.139 8.110 310 1HD LYS 43 2HD LYS 43 16.274 -6.990 9.595 311 2HD LYS 43 1HD LYS 43 17.297 -6.000 10.637 312 1HE LYS 43 2HE LYS 43 15.479 -4.796 11.497 313 2HE LYS 43 1HE LYS 43 14.443 -5.197 10.129 314 1HZ LYS 43 1HZ LYS 43 13.641 -6.637 11.677 315 2HZ LYS 43 2HZ LYS 43 15.131 -6.803 12.477 316 3HZ LYS 43 3HZ LYS 43 14.856 -7.615 11.010 317 H LYS 44 H LYS 44 19.298 -5.557 5.284 318 HA LYS 44 HA LYS 44 21.966 -5.810 5.940 319 1HB LYS 44 2HB LYS 44 20.682 -6.858 3.984 320 2HB LYS 44 1HB LYS 44 21.051 -5.377 3.101 321 1HG LYS 44 2HG LYS 44 23.503 -5.796 3.828 322 2HG LYS 44 1HG LYS 44 22.964 -7.437 4.188 323 1HD LYS 44 2HD LYS 44 22.836 -6.013 1.517 324 2HD LYS 44 1HD LYS 44 23.801 -7.433 1.924 325 1HE LYS 44 2HE LYS 44 21.589 -8.601 2.468 326 2HE LYS 44 1HE LYS 44 20.794 -7.242 1.673 327 1HZ LYS 44 1HZ LYS 44 22.736 -9.142 0.487 328 2HZ LYS 44 2HZ LYS 44 22.248 -7.707 -0.281 329 3HZ LYS 44 3HZ LYS 44 21.111 -8.922 0.056 330 H LYS 45 H LYS 45 20.826 -3.496 3.474 331 HA LYS 45 HA LYS 45 23.156 -1.811 4.016 332 1HB LYS 45 2HB LYS 45 20.999 -1.462 1.923 333 2HB LYS 45 1HB LYS 45 22.561 -0.646 1.983 334 1HG LYS 45 2HG LYS 45 22.199 -3.647 1.738 335 2HG LYS 45 1HG LYS 45 22.544 -2.566 0.386 336 1HD LYS 45 2HD LYS 45 24.572 -1.786 1.813 337 2HD LYS 45 1HD LYS 45 24.307 -3.273 2.725 338 1HE LYS 45 2HE LYS 45 24.453 -4.571 0.611 339 2HE LYS 45 1HE LYS 45 24.791 -3.077 -0.262 340 1HZ LYS 45 1HZ LYS 45 26.812 -2.805 0.855 341 2HZ LYS 45 2HZ LYS 45 26.768 -4.454 0.454 342 3HZ LYS 45 3HZ LYS 45 26.426 -3.954 2.042 343 H LYS 46 H LYS 46 20.086 -2.115 5.208 344 HA LYS 46 HA LYS 46 18.678 -0.747 6.400 345 1HB LYS 46 2HB LYS 46 21.403 0.309 6.838 346 2HB LYS 46 1HB LYS 46 20.089 1.421 7.223 347 1HG LYS 46 2HG LYS 46 19.977 -1.430 8.177 348 2HG LYS 46 1HG LYS 46 20.916 -0.233 9.070 349 1HD LYS 46 2HD LYS 46 19.050 0.954 9.718 350 2HD LYS 46 1HD LYS 46 18.140 0.518 8.272 351 1HE LYS 46 2HE LYS 46 17.519 -0.561 10.603 352 2HE LYS 46 1HE LYS 46 17.487 -1.540 9.137 353 1HZ LYS 46 1HZ LYS 46 19.900 -1.315 10.834 354 2HZ LYS 46 2HZ LYS 46 19.564 -2.469 9.633 355 3HZ LYS 46 3HZ LYS 46 18.714 -2.497 11.104 356 H GLN 47 H GLN 47 18.869 -0.357 3.512 357 HA GLN 47 HA GLN 47 18.414 2.539 3.245 358 1HB GLN 47 2HB GLN 47 18.521 2.132 0.823 359 2HB GLN 47 1HB GLN 47 19.960 1.505 1.629 360 1HG GLN 47 2HG GLN 47 18.686 -0.737 1.746 361 2HG GLN 47 1HG GLN 47 17.597 -0.032 0.553 362 1HE2 GLN 47 1HE2 GLN 47 20.462 1.437 -0.120 363 2HE2 GLN 47 2HE2 GLN 47 21.097 0.342 -1.252 364 H TRP 48 H TRP 48 16.416 3.334 3.093 365 HA TRP 48 HA TRP 48 14.155 1.502 3.076 366 1HB TRP 48 2HB TRP 48 14.439 4.479 3.469 367 2HB TRP 48 1HB TRP 48 12.863 3.703 3.310 368 HD1 TRP 48 HD TRP 48 15.519 1.660 5.000 369 HE1 TRP 48 1HE TRP 48 15.026 1.512 7.527 370 HE3 TRP 48 3HE TRP 48 11.791 5.130 5.377 371 HZ2 TRP 48 2HZ TRP 48 13.281 2.707 9.453 372 HZ3 TRP 48 3HZ TRP 48 10.731 5.605 7.567 373 HH2 TRP 48 HH TRP 48 11.471 4.399 9.602 374 H ALA 49 H ALA 49 12.512 1.482 1.539 375 HA ALA 49 HA ALA 49 12.831 3.102 -0.881 376 1HB ALA 49 1HB ALA 49 12.422 0.881 -2.194 377 2HB ALA 49 2HB ALA 49 13.089 0.112 -0.754 378 3HB ALA 49 3HB ALA 49 14.056 1.276 -1.662 379 H TYR 50 H TYR 50 10.923 3.294 -2.104 380 HA TYR 50 HA TYR 50 8.503 2.184 -0.811 381 1HB TYR 50 2HB TYR 50 9.016 4.958 -1.881 382 2HB TYR 50 1HB TYR 50 7.386 4.333 -1.622 383 HD1 TYR 50 1HD TYR 50 10.214 5.898 -0.090 384 HD2 TYR 50 2HD TYR 50 6.862 3.335 0.717 385 HE1 TYR 50 1HE TYR 50 10.392 6.425 2.327 386 HE2 TYR 50 2HE TYR 50 7.041 3.863 3.133 387 HH TYR 50 HH TYR 50 8.164 4.957 4.696 388 H TYR 51 H TYR 51 6.895 1.434 -2.133 389 HA TYR 51 HA TYR 51 7.401 1.546 -5.045 390 1HB TYR 51 2HB TYR 51 7.931 -0.685 -4.389 391 2HB TYR 51 1HB TYR 51 6.513 -0.787 -3.344 392 HD1 TYR 51 1HD TYR 51 4.440 -1.540 -4.188 393 HD2 TYR 51 2HD TYR 51 7.555 -0.379 -6.908 394 HE1 TYR 51 1HE TYR 51 3.099 -2.397 -6.090 395 HE2 TYR 51 2HE TYR 51 6.213 -1.236 -8.810 396 HH TYR 51 HH TYR 51 2.949 -1.955 -8.578 397 H ASN 52 H ASN 52 5.795 2.462 -6.143 398 HA ASN 52 HA ASN 52 3.206 2.848 -4.820 399 1HB ASN 52 2HB ASN 52 4.359 4.801 -5.826 400 2HB ASN 52 1HB ASN 52 4.249 4.024 -7.405 401 1HD2 ASN 52 1HD2 ASN 52 2.957 6.250 -7.661 402 2HD2 ASN 52 2HD2 ASN 52 1.285 6.138 -7.392 403 H ASP 53 H ASP 53 1.381 1.851 -5.439 404 HA ASP 53 HA ASP 53 1.527 0.083 -7.803 405 1HB ASP 53 2HB ASP 53 -0.190 -1.277 -6.711 406 2HB ASP 53 1HB ASP 53 1.209 -1.090 -5.655 407 H THR 54 H THR 54 -0.261 2.615 -6.200 408 HA THR 54 HA THR 54 -2.653 2.499 -7.693 409 HB THR 54 HB THR 54 -2.772 4.986 -7.083 410 HG1 THR 54 1HG THR 54 -0.473 5.197 -6.908 411 1HG2 THR 54 1HG2 THR 54 -2.260 2.986 -4.864 412 2HG2 THR 54 2HG2 THR 54 -3.780 3.152 -5.744 413 3HG2 THR 54 3HG2 THR 54 -3.199 4.473 -4.730 414 H THR 55 H THR 55 -2.925 2.759 -9.807 415 HA THR 55 HA THR 55 -0.877 4.169 -11.364 416 HB THR 55 HB THR 55 -2.045 3.185 -13.320 417 HG1 THR 55 1HG THR 55 -3.746 1.785 -12.941 418 1HG2 THR 55 1HG2 THR 55 -1.545 1.079 -11.210 419 2HG2 THR 55 2HG2 THR 55 -0.240 1.983 -11.979 420 3HG2 THR 55 3HG2 THR 55 -1.289 0.949 -12.950 421 H GLN 56 H GLN 56 -3.239 5.290 -9.647 422 HA GLN 56 HA GLN 56 -4.146 7.202 -11.712 423 1HB GLN 56 2HB GLN 56 -6.234 7.327 -10.091 424 2HB GLN 56 1HB GLN 56 -6.141 6.097 -11.352 425 1HG GLN 56 2HG GLN 56 -5.039 5.579 -8.594 426 2HG GLN 56 1HG GLN 56 -6.745 5.321 -8.953 427 1HE2 GLN 56 1HE2 GLN 56 -4.360 3.383 -8.441 428 2HE2 GLN 56 2HE2 GLN 56 -4.469 2.286 -9.732 429 H TYR 57 H TYR 57 -2.688 6.659 -8.696 430 HA TYR 57 HA TYR 57 -2.709 9.557 -8.155 431 1HB TYR 57 2HB TYR 57 -2.811 7.605 -5.880 432 2HB TYR 57 1HB TYR 57 -3.268 9.308 -5.909 433 HD1 TYR 57 1HD TYR 57 -5.152 9.810 -7.829 434 HD2 TYR 57 2HD TYR 57 -4.575 6.098 -5.747 435 HE1 TYR 57 1HE TYR 57 -7.500 9.174 -8.312 436 HE2 TYR 57 2HE TYR 57 -6.924 5.462 -6.229 437 HH TYR 57 HH TYR 57 -8.690 6.491 -8.427 438 H GLU 58 H GLU 58 -0.829 10.370 -7.225 439 HA GLU 58 HA GLU 58 1.513 8.629 -7.464 440 1HB GLU 58 2HB GLU 58 2.542 11.040 -6.814 441 2HB GLU 58 1HB GLU 58 2.142 10.576 -8.468 442 1HG GLU 58 2HG GLU 58 -0.036 11.638 -8.298 443 2HG GLU 58 1HG GLU 58 0.225 11.980 -6.589 444 H MET 59 H MET 59 2.963 8.252 -5.790 445 HA MET 59 HA MET 59 1.806 8.513 -3.111 446 1HB MET 59 2HB MET 59 3.921 6.790 -4.350 447 2HB MET 59 1HB MET 59 3.918 7.037 -2.603 448 1HG MET 59 2HG MET 59 2.566 5.032 -3.563 449 2HG MET 59 1HG MET 59 1.801 6.046 -2.340 450 1HE MET 59 1HE MET 59 -1.439 5.877 -4.067 451 2HE MET 59 2HE MET 59 -0.529 6.119 -2.577 452 3HE MET 59 3HE MET 59 -0.346 4.616 -3.478 453 H HIS 60 H HIS 60 2.387 10.147 -1.849 454 HA HIS 60 HA HIS 60 5.032 11.398 -2.270 455 1HB HIS 60 2HB HIS 60 2.520 12.536 -1.017 456 2HB HIS 60 1HB HIS 60 4.060 13.384 -1.158 457 HD1 HIS 60 1HD HIS 60 4.480 14.602 -3.311 458 HD2 HIS 60 2HD HIS 60 1.402 11.814 -3.678 459 HE1 HIS 60 1HE HIS 60 3.499 14.918 -5.625 460 HE2 HIS 60 2HE HIS 60 1.621 13.225 -5.864 461 H VAL 61 H VAL 61 6.517 10.935 -0.785 462 HA VAL 61 HA VAL 61 5.629 9.958 1.848 463 HB VAL 61 HB VAL 61 8.242 9.668 0.356 464 1HG1 VAL 61 1HG1 VAL 61 8.789 8.157 2.360 465 2HG1 VAL 61 2HG1 VAL 61 7.472 8.980 3.198 466 3HG1 VAL 61 3HG1 VAL 61 8.872 9.896 2.642 467 1HG2 VAL 61 1HG2 VAL 61 6.155 7.676 1.302 468 2HG2 VAL 61 2HG2 VAL 61 7.651 7.268 0.464 469 3HG2 VAL 61 3HG2 VAL 61 6.400 8.193 -0.366 470 H LEU 62 H LEU 62 6.056 11.049 3.673 471 HA LEU 62 HA LEU 62 8.069 13.188 3.646 472 1HB LEU 62 2HB LEU 62 5.896 14.258 3.130 473 2HB LEU 62 1HB LEU 62 5.228 13.585 4.618 474 HG LEU 62 HG LEU 62 7.126 14.756 5.852 475 1HD1 LEU 62 1HD1 LEU 62 7.909 16.825 4.457 476 2HD1 LEU 62 2HD1 LEU 62 7.481 15.833 3.062 477 3HD1 LEU 62 3HD1 LEU 62 8.709 15.275 4.198 478 1HD2 LEU 62 1HD2 LEU 62 4.843 15.640 5.879 479 2HD2 LEU 62 2HD2 LEU 62 5.102 16.419 4.318 480 3HD2 LEU 62 3HD2 LEU 62 5.987 16.975 5.737 481 H VAL 63 H VAL 63 9.354 11.932 5.008 482 HA VAL 63 HA VAL 63 8.213 11.327 7.668 483 HB VAL 63 HB VAL 63 10.605 10.086 6.287 484 1HG1 VAL 63 1HG1 VAL 63 10.431 8.459 8.193 485 2HG1 VAL 63 2HG1 VAL 63 9.234 9.523 8.933 486 3HG1 VAL 63 3HG1 VAL 63 10.890 10.086 8.698 487 1HG2 VAL 63 1HG2 VAL 63 8.011 8.719 6.988 488 2HG2 VAL 63 2HG2 VAL 63 9.236 8.227 5.818 489 3HG2 VAL 63 3HG2 VAL 63 8.178 9.594 5.466 490 H THR 64 H THR 64 9.030 12.324 9.405 491 HA THR 64 HA THR 64 11.433 14.002 9.031 492 HB THR 64 HB THR 64 9.190 14.269 11.048 493 HG1 THR 64 1HG THR 64 8.321 15.124 9.328 494 1HG2 THR 64 1HG2 THR 64 11.690 15.881 10.505 495 2HG2 THR 64 2HG2 THR 64 11.208 15.118 12.020 496 3HG2 THR 64 3HG2 THR 64 10.321 16.518 11.416 497 H PHE 65 H PHE 65 13.197 13.646 10.257 498 HA PHE 65 HA PHE 65 12.971 11.622 12.405 499 1HB PHE 65 2HB PHE 65 15.556 12.171 11.000 500 2HB PHE 65 1HB PHE 65 14.991 10.687 11.765 501 HD1 PHE 65 1HD PHE 65 14.408 12.941 8.849 502 HD2 PHE 65 2HD PHE 65 13.877 9.017 10.512 503 HE1 PHE 65 1HE PHE 65 13.579 12.125 6.658 504 HE2 PHE 65 2HE PHE 65 13.047 8.200 8.322 505 HZ PHE 65 HZ PHE 65 12.897 9.755 6.396 506 H ASN 66 H ASN 66 14.417 11.862 14.212 507 HA ASN 66 HA ASN 66 14.671 14.613 15.052 508 1HB ASN 66 2HB ASN 66 14.009 12.667 16.545 509 2HB ASN 66 1HB ASN 66 15.697 12.164 16.489 510 1HD2 ASN 66 1HD2 ASN 66 16.893 12.963 18.215 511 2HD2 ASN 66 2HD2 ASN 66 16.586 14.424 19.021 512 H GLU 67 H GLU 67 16.647 15.577 15.805 513 HA GLU 67 HA GLU 67 18.741 15.604 14.020 514 1HB GLU 67 2HB GLU 67 18.651 17.373 15.580 515 2HB GLU 67 1HB GLU 67 18.633 16.271 16.957 516 1HG GLU 67 2HG GLU 67 20.916 15.723 16.699 517 2HG GLU 67 1HG GLU 67 20.968 16.346 15.052 518 H ASP 68 H ASP 68 18.449 13.664 16.982 519 HA ASP 68 HA ASP 68 21.001 12.382 16.611 520 1HB ASP 68 2HB ASP 68 18.666 11.767 18.433 521 2HB ASP 68 1HB ASP 68 20.204 10.907 18.470 522 H CYS 69 H CYS 69 20.386 11.833 14.291 523 HA CYS 69 HA CYS 69 19.586 9.037 14.234 524 1HB CYS 69 2HB CYS 69 18.130 11.044 12.502 525 2HB CYS 69 1HB CYS 69 17.844 9.306 12.589 526 HG CYS 69 HG CYS 69 17.352 11.125 15.087 527 H ASP 70 H ASP 70 21.219 8.139 13.160 528 HA ASP 70 HA ASP 70 22.793 9.632 11.252 529 1HB ASP 70 2HB ASP 70 23.685 7.872 12.861 530 2HB ASP 70 1HB ASP 70 22.946 6.669 11.807 531 H ILE 71 H ILE 71 20.990 10.078 9.773 532 HA ILE 71 HA ILE 71 20.439 7.781 7.989 533 HB ILE 71 HB ILE 71 18.332 8.901 7.392 534 1HG1 ILE 71 2HG1 ILE 71 19.203 10.904 9.501 535 2HG1 ILE 71 1HG1 ILE 71 19.022 11.221 7.775 536 1HG2 ILE 71 1HG2 ILE 71 18.618 8.692 10.402 537 2HG2 ILE 71 2HG2 ILE 71 18.492 7.294 9.335 538 3HG2 ILE 71 3HG2 ILE 71 17.154 8.438 9.451 539 1HD1 ILE 71 1HD1 ILE 71 16.854 10.572 9.779 540 2HD1 ILE 71 2HD1 ILE 71 16.590 10.473 8.037 541 3HD1 ILE 71 3HD1 ILE 71 17.011 12.017 8.779 542 H LYS 72 H LYS 72 20.284 8.259 5.719 543 HA LYS 72 HA LYS 72 21.547 10.793 4.893 544 1HB LYS 72 2HB LYS 72 23.155 8.762 5.039 545 2HB LYS 72 1HB LYS 72 22.314 8.192 3.598 546 1HG LYS 72 2HG LYS 72 22.841 10.916 3.125 547 2HG LYS 72 1HG LYS 72 24.322 10.265 3.829 548 1HD LYS 72 2HD LYS 72 22.864 8.838 1.602 549 2HD LYS 72 1HD LYS 72 24.075 10.079 1.274 550 1HE LYS 72 2HE LYS 72 24.793 7.543 1.445 551 2HE LYS 72 1HE LYS 72 25.819 8.802 2.132 552 1HZ LYS 72 1HZ LYS 72 24.749 8.437 4.276 553 2HZ LYS 72 2HZ LYS 72 25.482 7.014 3.705 554 3HZ LYS 72 3HZ LYS 72 23.796 7.204 3.607 555 H ALA 73 H ALA 73 21.305 11.188 2.535 556 HA ALA 73 HA ALA 73 18.626 10.356 1.673 557 1HB ALA 73 1HB ALA 73 18.466 12.367 0.635 558 2HB ALA 73 2HB ALA 73 20.123 12.301 0.036 559 3HB ALA 73 3HB ALA 73 19.805 12.813 1.693 560 H LEU 74 H LEU 74 18.235 9.219 -0.171 561 HA LEU 74 HA LEU 74 20.595 8.061 -1.503 562 1HB LEU 74 2HB LEU 74 17.715 7.125 -1.444 563 2HB LEU 74 1HB LEU 74 19.045 6.294 -2.254 564 HG LEU 74 HG LEU 74 19.011 6.938 0.707 565 1HD1 LEU 74 1HD1 LEU 74 17.246 5.270 -0.130 566 2HD1 LEU 74 2HD1 LEU 74 18.345 4.691 1.122 567 3HD1 LEU 74 3HD1 LEU 74 18.599 4.225 -0.560 568 1HD2 LEU 74 1HD2 LEU 74 20.875 5.525 -1.175 569 2HD2 LEU 74 2HD2 LEU 74 20.778 4.983 0.501 570 3HD2 LEU 74 3HD2 LEU 74 21.252 6.643 0.137 571 H GLY 75 H GLY 75 17.554 7.807 -3.064 572 1HA GLY 75 2HA GLY 75 18.456 8.824 -5.512 573 2HA GLY 75 1HA GLY 75 16.766 8.593 -5.079 574 H LYS 76 H LYS 76 16.137 10.504 -6.148 575 HA LYS 76 HA LYS 76 17.281 13.041 -5.788 576 1HB LYS 76 2HB LYS 76 15.015 13.886 -6.505 577 2HB LYS 76 1HB LYS 76 15.729 12.690 -7.587 578 1HG LYS 76 2HG LYS 76 14.245 11.022 -6.950 579 2HG LYS 76 1HG LYS 76 13.963 11.739 -5.363 580 1HD LYS 76 2HD LYS 76 11.963 12.171 -6.557 581 2HD LYS 76 1HD LYS 76 12.858 13.688 -6.644 582 1HE LYS 76 2HE LYS 76 13.828 12.764 -8.856 583 2HE LYS 76 1HE LYS 76 12.510 11.593 -8.786 584 1HZ LYS 76 1HZ LYS 76 12.113 14.526 -8.598 585 2HZ LYS 76 2HZ LYS 76 10.918 13.333 -8.786 586 3HZ LYS 76 3HZ LYS 76 12.004 13.659 -10.051 587 H THR 77 H THR 77 15.873 11.110 -3.497 588 HA THR 77 HA THR 77 14.166 12.607 -1.971 589 HB THR 77 HB THR 77 16.469 10.958 -0.900 590 HG1 THR 77 1HG THR 77 15.392 9.335 -1.633 591 1HG2 THR 77 1HG2 THR 77 14.818 10.596 0.985 592 2HG2 THR 77 2HG2 THR 77 13.839 11.881 0.278 593 3HG2 THR 77 3HG2 THR 77 15.463 12.233 0.871 594 H LYS 78 H LYS 78 14.336 14.717 -1.535 595 HA LYS 78 HA LYS 78 16.882 16.017 -1.156 596 1HB LYS 78 2HB LYS 78 14.909 17.127 -2.220 597 2HB LYS 78 1HB LYS 78 14.107 17.110 -0.649 598 1HG LYS 78 2HG LYS 78 15.976 18.417 0.312 599 2HG LYS 78 1HG LYS 78 16.751 18.459 -1.272 600 1HD LYS 78 2HD LYS 78 14.718 19.589 -2.187 601 2HD LYS 78 1HD LYS 78 14.055 19.643 -0.554 602 1HE LYS 78 2HE LYS 78 15.166 21.773 -1.132 603 2HE LYS 78 1HE LYS 78 15.994 20.964 0.199 604 1HZ LYS 78 1HZ LYS 78 17.711 20.276 -1.187 605 2HZ LYS 78 2HZ LYS 78 17.402 21.865 -1.702 606 3HZ LYS 78 3HZ LYS 78 16.822 20.549 -2.606 607 H LEU 79 H LEU 79 17.985 16.038 0.684 608 HA LEU 79 HA LEU 79 16.507 15.664 3.219 609 1HB LEU 79 2HB LEU 79 18.027 13.817 2.767 610 2HB LEU 79 1HB LEU 79 19.362 14.942 2.516 611 HG LEU 79 HG LEU 79 19.183 15.710 4.838 612 1HD1 LEU 79 1HD1 LEU 79 16.942 15.546 5.458 613 2HD1 LEU 79 2HD1 LEU 79 17.629 14.154 6.296 614 3HD1 LEU 79 3HD1 LEU 79 16.766 13.931 4.774 615 1HD2 LEU 79 1HD2 LEU 79 19.684 13.454 5.961 616 2HD2 LEU 79 2HD2 LEU 79 20.680 13.873 4.567 617 3HD2 LEU 79 3HD2 LEU 79 19.355 12.723 4.390 618 H GLU 80 H GLU 80 16.620 17.226 4.714 619 HA GLU 80 HA GLU 80 18.852 19.092 4.769 620 1HB GLU 80 2HB GLU 80 17.357 21.076 4.651 621 2HB GLU 80 1HB GLU 80 17.398 20.167 3.140 622 1HG GLU 80 2HG GLU 80 15.313 18.993 3.823 623 2HG GLU 80 1HG GLU 80 15.254 19.988 5.276 624 H GLN 81 H GLN 81 18.994 20.258 6.724 625 HA GLN 81 HA GLN 81 17.301 19.154 8.878 626 1HB GLN 81 2HB GLN 81 19.757 18.701 9.004 627 2HB GLN 81 1HB GLN 81 20.030 20.440 9.114 628 1HG GLN 81 2HG GLN 81 18.693 20.555 11.158 629 2HG GLN 81 1HG GLN 81 18.314 18.838 11.032 630 1HE2 GLN 81 1HE2 GLN 81 19.526 19.507 13.375 631 2HE2 GLN 81 2HE2 GLN 81 21.162 19.055 13.379 632 H GLN 82 H GLN 82 16.565 20.553 10.540 633 HA GLN 82 HA GLN 82 16.296 23.359 9.659 634 1HB GLN 82 2HB GLN 82 14.556 22.198 11.788 635 2HB GLN 82 1HB GLN 82 14.174 23.397 10.553 636 1HG GLN 82 2HG GLN 82 14.522 20.415 10.149 637 2HG GLN 82 1HG GLN 82 13.033 21.342 9.976 638 1HE2 GLN 82 1HE2 GLN 82 15.435 19.942 8.152 639 2HE2 GLN 82 2HE2 GLN 82 15.363 20.945 6.783 640 H GLU 83 H GLU 83 15.995 24.922 11.533 641 HA GLU 83 HA GLU 83 18.325 24.912 13.139 642 1HB GLU 83 2HB GLU 83 15.796 26.541 13.488 643 2HB GLU 83 1HB GLU 83 17.373 26.904 14.192 644 1HG GLU 83 2HG GLU 83 18.327 27.045 11.892 645 2HG GLU 83 1HG GLU 83 16.709 26.795 11.236 646 H ASN 84 H ASN 84 14.972 24.009 13.776 647 HA ASN 84 HA ASN 84 15.097 23.762 16.565 648 1HB ASN 84 2HB ASN 84 13.236 22.081 16.240 649 2HB ASN 84 1HB ASN 84 12.965 23.650 15.486 650 1HD2 ASN 84 1HD2 ASN 84 14.797 20.703 14.469 651 2HD2 ASN 84 2HD2 ASN 84 14.054 20.598 12.946 652 H GLY 85 H GLY 85 16.395 21.769 14.039 653 1HA GLY 85 2HA GLY 85 18.172 20.230 14.438 654 2HA GLY 85 1HA GLY 85 17.570 20.004 16.078 655 H GLU 86 H GLU 86 16.085 19.767 12.840 656 HA GLU 86 HA GLU 86 15.473 16.938 13.380 657 1HB GLU 86 2HB GLU 86 13.471 19.033 12.503 658 2HB GLU 86 1HB GLU 86 13.170 17.295 12.488 659 1HG GLU 86 2HG GLU 86 13.613 17.204 14.921 660 2HG GLU 86 1HG GLU 86 13.878 18.946 14.931 661 H TRP 87 H TRP 87 15.336 15.643 11.553 662 HA TRP 87 HA TRP 87 16.385 16.876 9.092 663 1HB TRP 87 2HB TRP 87 16.362 14.029 10.104 664 2HB TRP 87 1HB TRP 87 16.833 14.458 8.459 665 HD1 TRP 87 HD TRP 87 18.025 14.541 12.036 666 HE1 TRP 87 1HE TRP 87 20.454 15.400 12.111 667 HE3 TRP 87 3HE TRP 87 18.557 16.105 7.203 668 HZ2 TRP 87 2HZ TRP 87 22.369 16.598 10.356 669 HZ3 TRP 87 3HZ TRP 87 20.692 17.101 6.433 670 HH2 TRP 87 HH TRP 87 22.597 17.348 8.001 671 H VAL 88 H VAL 88 15.314 16.750 7.166 672 HA VAL 88 HA VAL 88 12.678 15.412 7.180 673 HB VAL 88 HB VAL 88 13.392 18.110 6.010 674 1HG1 VAL 88 1HG1 VAL 88 10.943 16.355 5.745 675 2HG1 VAL 88 2HG1 VAL 88 11.907 17.077 4.456 676 3HG1 VAL 88 3HG1 VAL 88 10.886 18.096 5.470 677 1HG2 VAL 88 1HG2 VAL 88 12.963 18.078 8.452 678 2HG2 VAL 88 2HG2 VAL 88 11.422 17.272 8.164 679 3HG2 VAL 88 3HG2 VAL 88 11.677 18.918 7.586 680 H ALA 89 H ALA 89 12.257 14.129 5.478 681 HA ALA 89 HA ALA 89 13.909 14.391 3.053 682 1HB ALA 89 1HB ALA 89 14.402 12.050 2.989 683 2HB ALA 89 2HB ALA 89 13.341 11.725 4.359 684 3HB ALA 89 3HB ALA 89 14.844 12.616 4.600 685 H SER 90 H SER 90 12.338 14.992 1.659 686 HA SER 90 HA SER 90 9.885 13.342 1.565 687 1HB SER 90 2HB SER 90 8.710 15.243 0.709 688 2HB SER 90 1HB SER 90 9.612 15.794 2.117 689 HG SER 90 HG SER 90 10.467 15.989 -0.587 690 H VAL 91 H VAL 91 9.163 12.584 -0.415 691 HA VAL 91 HA VAL 91 10.480 13.278 -2.882 692 HB VAL 91 HB VAL 91 12.076 11.663 -1.739 693 1HG1 VAL 91 1HG1 VAL 91 9.976 9.610 -2.464 694 2HG1 VAL 91 2HG1 VAL 91 10.128 10.266 -0.834 695 3HG1 VAL 91 3HG1 VAL 91 11.465 9.365 -1.549 696 1HG2 VAL 91 1HG2 VAL 91 12.477 10.417 -3.798 697 2HG2 VAL 91 2HG2 VAL 91 11.974 12.056 -4.210 698 3HG2 VAL 91 3HG2 VAL 91 10.827 10.722 -4.340 699 H VAL 92 H VAL 92 9.426 12.392 -4.715 700 HA VAL 92 HA VAL 92 6.778 11.230 -4.101 701 HB VAL 92 HB VAL 92 7.596 12.808 -6.550 702 1HG1 VAL 92 1HG1 VAL 92 5.161 12.921 -6.921 703 2HG1 VAL 92 2HG1 VAL 92 4.891 11.952 -5.472 704 3HG1 VAL 92 3HG1 VAL 92 5.707 11.245 -6.868 705 1HG2 VAL 92 1HG2 VAL 92 7.686 14.260 -4.602 706 2HG2 VAL 92 2HG2 VAL 92 6.141 13.640 -4.020 707 3HG2 VAL 92 3HG2 VAL 92 6.203 14.613 -5.489 708 H VAL 93 H VAL 93 6.172 9.357 -5.048 709 HA VAL 93 HA VAL 93 8.084 8.121 -6.938 710 HB VAL 93 HB VAL 93 6.263 6.702 -4.981 711 1HG1 VAL 93 1HG1 VAL 93 7.639 4.743 -5.584 712 2HG1 VAL 93 2HG1 VAL 93 8.555 5.735 -6.718 713 3HG1 VAL 93 3HG1 VAL 93 6.844 5.416 -7.008 714 1HG2 VAL 93 1HG2 VAL 93 9.254 7.208 -4.853 715 2HG2 VAL 93 2HG2 VAL 93 8.313 6.267 -3.696 716 3HG2 VAL 93 3HG2 VAL 93 8.048 8.004 -3.843 717 H TYR 94 H TYR 94 7.314 7.487 -8.864 718 HA TYR 94 HA TYR 94 4.480 7.935 -9.427 719 1HB TYR 94 2HB TYR 94 6.837 7.339 -11.231 720 2HB TYR 94 1HB TYR 94 5.186 7.594 -11.800 721 HD1 TYR 94 1HD TYR 94 8.249 9.190 -11.220 722 HD2 TYR 94 2HD TYR 94 4.022 9.781 -10.733 723 HE1 TYR 94 1HE TYR 94 8.602 11.643 -11.133 724 HE2 TYR 94 2HE TYR 94 4.375 12.233 -10.643 725 HH TYR 94 HH TYR 94 6.610 13.743 -9.922 726 HA PRO 95 HA PRO 95 3.254 3.737 -9.463 727 1HB PRO 95 2HB PRO 95 1.886 4.147 -12.051 728 2HB PRO 95 1HB PRO 95 1.203 3.744 -10.466 729 1HG PRO 95 2HG PRO 95 0.865 6.149 -11.550 730 2HG PRO 95 1HG PRO 95 1.087 5.938 -9.805 731 1HD PRO 95 2HD PRO 95 3.082 6.868 -11.857 732 2HD PRO 95 1HD PRO 95 2.789 7.482 -10.214 733 H CYS 96 H CYS 96 3.592 1.688 -10.460 734 HA CYS 96 HA CYS 96 4.815 0.148 -11.647 735 1HB CYS 96 2HB CYS 96 3.345 1.129 -13.466 736 2HB CYS 96 1HB CYS 96 4.712 2.154 -13.905 737 HG CYS 96 HG CYS 96 6.098 -0.072 -14.359 738 H GLU 97 H GLU 97 6.174 2.370 -10.171 739 HA GLU 97 HA GLU 97 8.835 1.922 -11.304 740 1HB GLU 97 2HB GLU 97 7.845 4.128 -12.179 741 2HB GLU 97 1HB GLU 97 8.013 4.713 -10.523 742 1HG GLU 97 2HG GLU 97 10.422 4.123 -10.577 743 2HG GLU 97 1HG GLU 97 10.243 3.605 -12.252 744 H THR 98 H THR 98 10.549 2.339 -9.787 745 HA THR 98 HA THR 98 9.666 2.610 -6.982 746 HB THR 98 HB THR 98 11.773 0.649 -7.904 747 HG1 THR 98 1HG THR 98 10.189 -0.620 -8.363 748 1HG2 THR 98 1HG2 THR 98 11.333 -0.273 -5.600 749 2HG2 THR 98 2HG2 THR 98 10.329 1.143 -5.290 750 3HG2 THR 98 3HG2 THR 98 12.054 1.337 -5.607 751 H GLU 99 H GLU 99 10.910 3.914 -5.751 752 HA GLU 99 HA GLU 99 13.514 4.784 -6.847 753 1HB GLU 99 2HB GLU 99 11.427 6.561 -5.558 754 2HB GLU 99 1HB GLU 99 13.023 7.073 -6.108 755 1HG GLU 99 2HG GLU 99 12.432 6.354 -8.414 756 2HG GLU 99 1HG GLU 99 10.818 5.929 -7.847 757 H MET 100 H MET 100 15.041 5.516 -5.276 758 HA MET 100 HA MET 100 14.859 4.066 -2.777 759 1HB MET 100 2HB MET 100 17.009 5.889 -3.885 760 2HB MET 100 1HB MET 100 17.156 4.930 -2.411 761 1HG MET 100 2HG MET 100 16.370 2.990 -4.107 762 2HG MET 100 1HG MET 100 17.184 4.053 -5.254 763 1HE MET 100 1HE MET 100 17.268 2.741 -1.772 764 2HE MET 100 2HE MET 100 18.890 2.112 -1.491 765 3HE MET 100 3HE MET 100 17.786 1.241 -2.552 766 H PHE 101 H PHE 101 15.091 5.018 -0.690 767 HA PHE 101 HA PHE 101 14.008 7.768 -0.557 768 1HB PHE 101 2HB PHE 101 12.508 6.011 0.342 769 2HB PHE 101 1HB PHE 101 13.768 5.545 1.485 770 HD1 PHE 101 1HD PHE 101 12.787 8.958 0.322 771 HD2 PHE 101 2HD PHE 101 12.877 6.166 3.586 772 HE1 PHE 101 1HE PHE 101 11.976 10.728 1.858 773 HE2 PHE 101 2HE PHE 101 12.089 7.943 5.126 774 HZ PHE 101 HZ PHE 101 11.630 10.222 4.261 775 H ILE 102 H ILE 102 15.064 6.243 2.327 776 HA ILE 102 HA ILE 102 17.585 7.788 2.284 777 HB ILE 102 HB ILE 102 17.230 8.446 4.581 778 1HG1 ILE 102 2HG1 ILE 102 14.827 7.876 5.495 779 2HG1 ILE 102 1HG1 ILE 102 14.919 6.538 4.349 780 1HG2 ILE 102 1HG2 ILE 102 16.224 9.924 2.942 781 2HG2 ILE 102 2HG2 ILE 102 15.122 9.793 4.313 782 3HG2 ILE 102 3HG2 ILE 102 14.795 8.895 2.830 783 1HD1 ILE 102 1HD1 ILE 102 16.343 5.398 5.674 784 2HD1 ILE 102 2HD1 ILE 102 16.008 6.593 6.928 785 3HD1 ILE 102 3HD1 ILE 102 17.392 6.805 5.854 786 H GLU 103 H GLU 103 19.196 7.009 3.846 787 HA GLU 103 HA GLU 103 18.849 4.189 4.624 788 1HB GLU 103 2HB GLU 103 20.024 4.081 2.519 789 2HB GLU 103 1HB GLU 103 21.159 5.327 3.037 790 1HG GLU 103 2HG GLU 103 20.856 2.829 4.675 791 2HG GLU 103 1HG GLU 103 21.846 2.797 3.217 792 H GLY 104 H GLY 104 20.351 3.480 6.267 793 1HA GLY 104 2HA GLY 104 22.235 4.136 7.747 794 2HA GLY 104 1HA GLY 104 21.473 5.721 7.847 795 H ARG 105 H ARG 105 21.542 5.343 10.187 796 HA ARG 105 HA ARG 105 19.685 3.333 11.223 797 1HB ARG 105 2HB ARG 105 21.942 3.791 12.280 798 2HB ARG 105 1HB ARG 105 21.296 5.350 12.794 799 1HG ARG 105 2HG ARG 105 19.464 4.196 13.986 800 2HG ARG 105 1HG ARG 105 20.128 2.638 13.489 801 1HD ARG 105 2HD ARG 105 20.929 3.043 15.713 802 2HD ARG 105 1HD ARG 105 22.290 3.314 14.627 803 HE ARG 105 HE ARG 105 20.852 5.739 15.125 804 1HH1 ARG 105 1HH2 ARG 105 23.116 3.482 16.450 805 2HH1 ARG 105 2HH2 ARG 105 23.892 4.647 17.469 806 1HH2 ARG 105 1HH1 ARG 105 21.866 7.273 16.459 807 2HH2 ARG 105 2HH1 ARG 105 23.185 6.794 17.473 808 H VAL 106 H VAL 106 17.716 3.779 12.075 809 HA VAL 106 HA VAL 106 16.823 6.594 11.946 810 HB VAL 106 HB VAL 106 15.004 4.192 11.958 811 1HG1 VAL 106 1HG1 VAL 106 14.609 6.871 10.630 812 2HG1 VAL 106 2HG1 VAL 106 14.267 6.651 12.346 813 3HG1 VAL 106 3HG1 VAL 106 13.388 5.706 11.144 814 1HG2 VAL 106 1HG2 VAL 106 14.989 4.613 9.408 815 2HG2 VAL 106 2HG2 VAL 106 16.373 3.742 10.071 816 3HG2 VAL 106 3HG2 VAL 106 16.518 5.453 9.667 817 H ASN 107 H ASN 107 16.226 7.577 13.766 818 HA ASN 107 HA ASN 107 15.459 5.947 16.099 819 1HB ASN 107 2HB ASN 107 17.666 6.424 16.697 820 2HB ASN 107 1HB ASN 107 17.632 8.013 15.935 821 1HD2 ASN 107 1HD2 ASN 107 17.955 9.433 17.683 822 2HD2 ASN 107 2HD2 ASN 107 17.009 9.436 19.092 823 H GLY 108 H GLY 108 13.519 6.582 16.777 824 1HA GLY 108 2HA GLY 108 11.607 7.864 16.997 825 2HA GLY 108 1HA GLY 108 12.737 9.074 17.599 826 H PHE 109 H PHE 109 10.699 8.127 14.990 827 HA PHE 109 HA PHE 109 11.212 10.692 13.666 828 1HB PHE 109 2HB PHE 109 11.340 9.601 11.451 829 2HB PHE 109 1HB PHE 109 12.676 9.119 12.496 830 HD1 PHE 109 1HD PHE 109 9.846 7.989 10.570 831 HD2 PHE 109 2HD PHE 109 12.467 6.928 13.803 832 HE1 PHE 109 1HE PHE 109 9.167 5.616 10.340 833 HE2 PHE 109 2HE PHE 109 11.792 4.553 13.570 834 HZ PHE 109 HZ PHE 109 10.141 3.897 11.839 835 H LYS 110 H LYS 110 9.489 11.407 12.345 836 HA LYS 110 HA LYS 110 6.936 10.012 12.865 837 1HB LYS 110 2HB LYS 110 7.477 12.923 12.223 838 2HB LYS 110 1HB LYS 110 5.878 12.215 12.467 839 1HG LYS 110 2HG LYS 110 6.321 11.733 14.752 840 2HG LYS 110 1HG LYS 110 8.055 11.988 14.549 841 1HD LYS 110 2HD LYS 110 6.899 13.902 15.686 842 2HD LYS 110 1HD LYS 110 7.720 14.368 14.196 843 1HE LYS 110 2HE LYS 110 5.303 15.226 14.547 844 2HE LYS 110 1HE LYS 110 5.697 14.510 12.984 845 1HZ LYS 110 1HZ LYS 110 4.790 12.654 15.018 846 2HZ LYS 110 2HZ LYS 110 4.400 12.737 13.367 847 3HZ LYS 110 3HZ LYS 110 3.623 13.760 14.478 848 H SER 111 H SER 111 5.735 9.302 11.196 849 HA SER 111 HA SER 111 6.742 9.864 8.474 850 1HB SER 111 2HB SER 111 5.142 7.480 9.423 851 2HB SER 111 1HB SER 111 5.843 7.706 7.823 852 HG SER 111 HG SER 111 7.898 7.941 9.061 853 H LYS 112 H LYS 112 5.417 10.725 6.989 854 HA LYS 112 HA LYS 112 2.518 10.752 7.480 855 1HB LYS 112 2HB LYS 112 3.484 12.897 8.332 856 2HB LYS 112 1HB LYS 112 4.088 13.221 6.707 857 1HG LYS 112 2HG LYS 112 1.781 13.102 5.828 858 2HG LYS 112 1HG LYS 112 1.180 12.798 7.457 859 1HD LYS 112 2HD LYS 112 2.187 14.977 8.178 860 2HD LYS 112 1HD LYS 112 2.612 15.290 6.495 861 1HE LYS 112 2HE LYS 112 0.451 16.360 7.179 862 2HE LYS 112 1HE LYS 112 0.272 15.227 5.838 863 1HZ LYS 112 1HZ LYS 112 -0.550 13.572 7.297 864 2HZ LYS 112 2HZ LYS 112 -1.410 14.996 7.644 865 3HZ LYS 112 3HZ LYS 112 -0.161 14.481 8.675 866 H MET 113 H MET 113 1.666 9.794 5.744 867 HA MET 113 HA MET 113 2.865 10.377 3.102 868 1HB MET 113 2HB MET 113 1.602 7.829 4.128 869 2HB MET 113 1HB MET 113 2.002 8.113 2.434 870 1HG MET 113 2HG MET 113 4.370 8.555 3.122 871 2HG MET 113 1HG MET 113 3.934 8.097 4.768 872 1HE MET 113 1HE MET 113 2.012 5.602 4.602 873 2HE MET 113 2HE MET 113 3.376 6.047 5.624 874 3HE MET 113 3HE MET 113 3.348 4.468 4.842 875 H ASP 114 H ASP 114 1.289 9.995 1.279 876 HA ASP 114 HA ASP 114 -1.523 10.265 1.832 877 1HB ASP 114 2HB ASP 114 -0.481 12.595 2.203 878 2HB ASP 114 1HB ASP 114 -0.245 12.620 0.455 879 H ALA 115 H ALA 115 -2.720 10.733 -0.305 880 HA ALA 115 HA ALA 115 -1.222 9.556 -2.567 881 1HB ALA 115 1HB ALA 115 -3.104 8.193 -3.153 882 2HB ALA 115 2HB ALA 115 -4.117 8.963 -1.932 883 3HB ALA 115 3HB ALA 115 -2.782 7.920 -1.441 884 H LEU 116 H LEU 116 -0.928 11.622 -3.474 885 HA LEU 116 HA LEU 116 -3.257 13.262 -4.069 886 1HB LEU 116 2HB LEU 116 -0.424 13.682 -5.028 887 2HB LEU 116 1HB LEU 116 -1.706 14.884 -4.873 888 HG LEU 116 HG LEU 116 -0.527 13.345 -2.541 889 1HD1 LEU 116 1HD1 LEU 116 1.018 15.003 -3.770 890 2HD1 LEU 116 2HD1 LEU 116 0.794 15.252 -2.038 891 3HD1 LEU 116 3HD1 LEU 116 -0.075 16.261 -3.193 892 1HD2 LEU 116 1HD2 LEU 116 -2.531 15.590 -2.829 893 2HD2 LEU 116 2HD2 LEU 116 -1.669 15.310 -1.317 894 3HD2 LEU 116 3HD2 LEU 116 -2.722 14.058 -1.977 895 HA PRO 117 HA PRO 117 -3.830 11.809 -8.180 896 1HB PRO 117 2HB PRO 117 -4.375 14.459 -9.235 897 2HB PRO 117 1HB PRO 117 -5.524 13.175 -8.813 898 1HG PRO 117 2HG PRO 117 -5.348 15.489 -7.444 899 2HG PRO 117 1HG PRO 117 -5.824 13.955 -6.695 900 1HD PRO 117 2HD PRO 117 -3.118 15.299 -6.662 901 2HD PRO 117 1HD PRO 117 -4.031 14.596 -5.307 902 H LEU 118 H LEU 118 -2.912 11.641 -10.261 903 HA LEU 118 HA LEU 118 -0.202 12.585 -10.481 904 1HB LEU 118 2HB LEU 118 -1.930 11.092 -12.469 905 2HB LEU 118 1HB LEU 118 -0.189 11.343 -12.608 906 HG LEU 118 HG LEU 118 -1.315 10.091 -10.119 907 1HD1 LEU 118 1HD1 LEU 118 -0.705 8.668 -12.728 908 2HD1 LEU 118 2HD1 LEU 118 -2.287 8.796 -11.960 909 3HD1 LEU 118 3HD1 LEU 118 -1.002 7.867 -11.187 910 1HD2 LEU 118 1HD2 LEU 118 0.878 9.227 -9.887 911 2HD2 LEU 118 2HD2 LEU 118 1.128 10.860 -10.504 912 3HD2 LEU 118 3HD2 LEU 118 1.248 9.479 -11.593 913 H SER 119 H SER 119 0.368 14.511 -11.237 914 HA SER 119 HA SER 119 -1.533 16.100 -12.778 915 1HB SER 119 2HB SER 119 1.181 16.731 -11.604 916 2HB SER 119 1HB SER 119 0.224 17.880 -12.533 917 HG SER 119 HG SER 119 0.037 17.685 -10.065 918 H GLU 120 H GLU 120 -0.137 17.592 -14.446 919 HA GLU 120 HA GLU 120 0.307 15.974 -16.693 920 1HB GLU 120 2HB GLU 120 1.099 17.967 -17.786 921 2HB GLU 120 1HB GLU 120 -0.220 18.434 -16.713 922 1HG GLU 120 2HG GLU 120 1.375 20.036 -16.168 923 2HG GLU 120 1HG GLU 120 1.727 18.791 -14.970 924 H GLU 121 H GLU 121 2.454 17.042 -14.154 925 HA GLU 121 HA GLU 121 4.942 16.667 -15.360 926 1HB GLU 121 2HB GLU 121 4.513 17.627 -13.070 927 2HB GLU 121 1HB GLU 121 4.266 15.978 -12.494 928 1HG GLU 121 2HG GLU 121 6.568 16.548 -12.064 929 2HG GLU 121 1HG GLU 121 6.550 15.410 -13.411 930 H TYR 122 H TYR 122 2.791 14.324 -13.795 931 HA TYR 122 HA TYR 122 4.542 12.104 -13.954 932 1HB TYR 122 2HB TYR 122 2.725 11.829 -12.492 933 2HB TYR 122 1HB TYR 122 1.558 12.394 -13.688 934 HD1 TYR 122 1HD TYR 122 4.101 9.679 -13.188 935 HD2 TYR 122 2HD TYR 122 0.332 10.822 -14.904 936 HE1 TYR 122 1HE TYR 122 3.760 7.356 -13.985 937 HE2 TYR 122 2HE TYR 122 -0.019 8.493 -15.683 938 HH TYR 122 HH TYR 122 0.790 6.432 -15.734 939 H ARG 123 H ARG 123 2.068 13.372 -16.150 940 HA ARG 123 HA ARG 123 2.026 11.308 -18.028 941 1HB ARG 123 2HB ARG 123 1.746 14.285 -18.514 942 2HB ARG 123 1HB ARG 123 1.236 13.011 -19.622 943 1HG ARG 123 2HG ARG 123 -0.234 12.113 -17.771 944 2HG ARG 123 1HG ARG 123 0.152 13.567 -16.849 945 1HD ARG 123 2HD ARG 123 -0.693 14.938 -18.769 946 2HD ARG 123 1HD ARG 123 -1.207 13.447 -19.555 947 HE ARG 123 HE ARG 123 -2.250 13.716 -16.882 948 1HH1 ARG 123 1HH2 ARG 123 -2.620 14.591 -20.210 949 2HH1 ARG 123 2HH2 ARG 123 -4.326 14.859 -20.094 950 1HH2 ARG 123 1HH1 ARG 123 -4.488 14.064 -16.721 951 2HH2 ARG 123 2HH1 ARG 123 -5.385 14.560 -18.117 952 H GLN 124 H GLN 124 4.238 14.045 -17.682 953 HA GLN 124 HA GLN 124 5.678 13.574 -20.098 954 1HB GLN 124 2HB GLN 124 5.649 15.728 -18.771 955 2HB GLN 124 1HB GLN 124 6.716 14.938 -17.609 956 1HG GLN 124 2HG GLN 124 8.151 16.105 -19.122 957 2HG GLN 124 1HG GLN 124 8.250 14.405 -19.576 958 1HE2 GLN 124 1HE2 GLN 124 5.929 17.075 -20.337 959 2HE2 GLN 124 2HE2 GLN 124 5.963 16.808 -22.013 960 H HIS 125 H HIS 125 6.088 12.532 -16.744 961 HA HIS 125 HA HIS 125 8.627 11.376 -16.938 962 1HB HIS 125 2HB HIS 125 7.692 11.579 -14.770 963 2HB HIS 125 1HB HIS 125 6.225 10.718 -15.236 964 HD1 HIS 125 1HD HIS 125 9.795 10.173 -14.252 965 HD2 HIS 125 2HD HIS 125 6.500 7.876 -15.368 966 HE1 HIS 125 1HE HIS 125 10.376 7.771 -13.697 967 HE2 HIS 125 2HE HIS 125 8.378 6.357 -14.378 968 H GLN 126 H GLN 126 5.477 10.190 -17.932 969 HA GLN 126 HA GLN 126 6.075 7.479 -18.299 970 1HB GLN 126 2HB GLN 126 4.202 9.274 -19.862 971 2HB GLN 126 1HB GLN 126 4.217 7.512 -19.958 972 1HG GLN 126 2HG GLN 126 3.689 7.336 -17.584 973 2HG GLN 126 1HG GLN 126 3.792 9.087 -17.402 974 1HE2 GLN 126 1HE2 GLN 126 1.397 7.437 -16.877 975 2HE2 GLN 126 2HE2 GLN 126 0.198 7.981 -17.948 976 H ALA 127 H ALA 127 6.640 10.276 -20.379 977 HA ALA 127 HA ALA 127 7.445 8.860 -22.693 978 1HB ALA 127 1HB ALA 127 8.600 11.022 -23.281 979 2HB ALA 127 2HB ALA 127 8.120 11.635 -21.698 980 3HB ALA 127 3HB ALA 127 6.890 11.190 -22.882 981 H GLU 128 H GLU 128 9.177 9.940 -19.819 982 HA GLU 128 HA GLU 128 11.801 9.429 -20.754 983 1HB GLU 128 2HB GLU 128 10.689 9.428 -17.938 984 2HB GLU 128 1HB GLU 128 12.405 9.415 -18.346 985 1HG GLU 128 2HG GLU 128 10.453 11.552 -19.245 986 2HG GLU 128 1HG GLU 128 11.527 11.710 -17.857 987 H LYS 129 H LYS 129 9.380 7.417 -19.157 988 HA LYS 129 HA LYS 129 11.007 5.194 -18.581 989 1HB LYS 129 2HB LYS 129 8.051 5.430 -19.162 990 2HB LYS 129 1HB LYS 129 8.818 3.918 -18.674 991 1HG LYS 129 2HG LYS 129 9.599 4.935 -16.599 992 2HG LYS 129 1HG LYS 129 8.956 6.502 -17.094 993 1HD LYS 129 2HD LYS 129 7.403 5.399 -15.543 994 2HD LYS 129 1HD LYS 129 6.674 5.535 -17.142 995 1HE LYS 129 2HE LYS 129 8.232 3.062 -16.497 996 2HE LYS 129 1HE LYS 129 6.614 3.234 -15.820 997 1HZ LYS 129 1HZ LYS 129 5.837 2.575 -17.771 998 2HZ LYS 129 2HZ LYS 129 7.382 2.613 -18.476 999 3HZ LYS 129 3HZ LYS 129 6.420 4.013 -18.458 1000 H ASP 130 H ASP 130 9.240 6.123 -21.496 1001 HA ASP 130 HA ASP 130 10.119 3.692 -22.874 1002 1HB ASP 130 2HB ASP 130 8.768 4.729 -24.779 1003 2HB ASP 130 1HB ASP 130 7.861 4.237 -23.349 1004 H LYS 131 H LYS 131 10.267 7.225 -23.375 1005 HA LYS 131 HA LYS 131 12.257 6.991 -25.442 1006 1HB LYS 131 2HB LYS 131 10.549 8.856 -25.234 1007 2HB LYS 131 1HB LYS 131 11.518 9.482 -23.900 1008 1HG LYS 131 2HG LYS 131 12.435 10.649 -25.693 1009 2HG LYS 131 1HG LYS 131 13.500 9.244 -25.626 1010 1HD LYS 131 2HD LYS 131 12.208 8.132 -27.374 1011 2HD LYS 131 1HD LYS 131 11.048 9.462 -27.397 1012 1HE LYS 131 2HE LYS 131 13.981 9.611 -28.144 1013 2HE LYS 131 1HE LYS 131 12.607 9.762 -29.239 1014 1HZ LYS 131 1HZ LYS 131 11.907 11.692 -27.799 1015 2HZ LYS 131 2HZ LYS 131 13.287 11.939 -28.759 1016 3HZ LYS 131 3HZ LYS 131 13.449 11.624 -27.097
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