NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4271 | 1f2g | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 -5.531 6.837 6.837 2 1HB PRO 1 1HB PRO 1 -2.958 6.068 6.068 3 2HB PRO 1 2HB PRO 1 -3.544 7.695 7.695 4 1HG PRO 1 1HG PRO 1 -2.968 5.569 5.569 5 2HG PRO 1 2HG PRO 1 -3.138 7.293 7.293 6 1HD PRO 1 1HD PRO 1 -5.074 5.265 5.265 7 2HD PRO 1 2HD PRO 1 -5.287 6.998 6.998 8 H ILE 2 H ILE 2 -4.597 5.634 5.634 9 HA ILE 2 HA ILE 2 -5.858 3.217 3.217 10 HB ILE 2 HB ILE 2 -4.530 2.916 2.916 11 1HG1 ILE 2 1HG1 ILE 2 -2.324 3.378 3.378 12 2HG1 ILE 2 2HG1 ILE 2 -2.531 4.135 4.135 13 1HG2 ILE 2 1HG2 ILE 2 -5.704 5.516 5.516 14 2HG2 ILE 2 2HG2 ILE 2 -4.552 5.578 5.578 15 3HG2 ILE 2 3HG2 ILE 2 -5.950 4.478 4.478 16 1HD1 ILE 2 1HD1 ILE 2 -3.330 6.213 6.213 17 2HD1 ILE 2 2HD1 ILE 2 -2.571 5.390 5.390 18 3HD1 ILE 2 3HD1 ILE 2 -1.590 5.840 5.840 19 H GLU 3 H GLU 3 -5.277 1.031 1.031 20 HA GLU 3 HA GLU 3 -2.748 0.588 0.588 21 1HB GLU 3 1HB GLU 3 -5.511 -0.186 -0.186 22 2HB GLU 3 2HB GLU 3 -4.130 -1.172 -1.172 23 1HG GLU 3 1HG GLU 3 -3.423 0.345 0.345 24 2HG GLU 3 2HG GLU 3 -3.509 1.660 1.660 25 H VAL 4 H VAL 4 -1.767 -1.449 -1.449 26 HA VAL 4 HA VAL 4 -3.053 -2.864 -2.864 27 HB VAL 4 HB VAL 4 -1.029 -3.118 -3.118 28 1HG1 VAL 4 3HG1 VAL 4 -1.283 -0.649 -0.649 29 2HG1 VAL 4 1HG1 VAL 4 0.104 -1.088 -1.088 30 3HG1 VAL 4 2HG1 VAL 4 0.240 -1.191 -1.191 31 1HG2 VAL 4 1HG2 VAL 4 -0.054 -3.615 -3.615 32 2HG2 VAL 4 2HG2 VAL 4 -0.042 -4.699 -4.699 33 3HG2 VAL 4 3HG2 VAL 4 1.104 -3.340 -3.340 34 H ASN 5 H ASN 5 -3.407 -3.047 -3.047 35 HA ASN 5 HA ASN 5 -3.827 -4.610 -4.610 36 1HB ASN 5 1HB ASN 5 -3.764 -6.314 -6.314 37 2HB ASN 5 2HB ASN 5 -4.000 -7.075 -7.075 38 1HD2 ASN 5 1HD2 ASN 5 -5.962 -7.437 -7.437 39 2HD2 ASN 5 2HD2 ASN 5 -7.355 -6.463 -6.463 40 H ASP 6 H ASP 6 -2.881 -7.247 -7.247 41 HA ASP 6 HA ASP 6 -0.006 -6.779 -6.779 42 1HB ASP 6 1HB ASP 6 -1.171 -6.928 -6.928 43 2HB ASP 6 2HB ASP 6 -1.719 -8.541 -8.541 44 H ASP 7 H ASP 7 -2.703 -8.924 -8.924 45 HA ASP 7 HA ASP 7 -1.357 -11.301 -11.301 46 1HB ASP 7 1HB ASP 7 -3.682 -10.146 -10.146 47 2HB ASP 7 2HB ASP 7 -3.174 -11.820 -11.820 48 H CYS 8 H CYS 8 -1.242 -8.325 -8.325 49 HA CYS 8 HA CYS 8 -0.662 -9.226 -9.226 50 1HB CYS 8 1HB CYS 8 -0.879 -6.981 -6.981 51 2HB CYS 8 2HB CYS 8 -0.269 -6.734 -6.734 52 H MET 9 H MET 9 1.521 -9.333 -9.333 53 HA MET 9 HA MET 9 3.453 -10.466 -10.466 54 1HB MET 9 1HB MET 9 2.435 -11.203 -11.203 55 2HB MET 9 2HB MET 9 4.187 -11.154 -11.154 56 1HG MET 9 1HG MET 9 4.224 -12.691 -12.691 57 2HG MET 9 2HG MET 9 2.472 -12.703 -12.703 58 1HE MET 9 2HE MET 9 2.259 -14.886 -14.886 59 2HE MET 9 3HE MET 9 1.245 -15.030 -15.030 60 3HE MET 9 1HE MET 9 2.640 -16.113 -16.113 61 H ALA 10 H ALA 10 3.915 -9.355 -9.355 62 HA ALA 10 HA ALA 10 4.940 -6.882 -6.882 63 1HB ALA 10 2HB ALA 10 6.756 -8.965 -8.965 64 2HB ALA 10 3HB ALA 10 7.517 -7.849 -7.849 65 3HB ALA 10 1HB ALA 10 6.729 -7.211 -7.211 66 H CYS 11 H CYS 11 3.530 -7.757 -7.757 67 HA CYS 11 HA CYS 11 5.013 -9.038 -9.038 68 1HB CYS 11 1HB CYS 11 2.438 -8.865 -8.865 69 2HB CYS 11 2HB CYS 11 2.572 -7.367 -7.367 70 H GLU 12 H GLU 12 4.488 -5.711 -5.711 71 HA GLU 12 HA GLU 12 5.462 -3.835 -3.835 72 1HB GLU 12 1HB GLU 12 7.505 -5.442 -5.442 73 2HB GLU 12 2HB GLU 12 7.228 -5.150 -5.150 74 1HG GLU 12 1HG GLU 12 7.403 -2.680 -2.680 75 2HG GLU 12 2HG GLU 12 7.697 -2.982 -2.982 76 H ALA 13 H ALA 13 3.299 -5.341 -5.341 77 HA ALA 13 HA ALA 13 3.543 -4.261 -4.261 78 1HB ALA 13 2HB ALA 13 1.542 -5.750 -5.750 79 2HB ALA 13 3HB ALA 13 0.889 -4.775 -4.775 80 3HB ALA 13 1HB ALA 13 2.105 -6.034 -6.034 81 H CYS 14 H CYS 14 1.689 -3.307 -3.307 82 HA CYS 14 HA CYS 14 0.480 -1.087 -1.087 83 1HB CYS 14 1HB CYS 14 0.071 -0.354 -0.354 84 2HB CYS 14 2HB CYS 14 -0.347 -2.036 -2.036 85 H VAL 15 H VAL 15 3.709 -1.707 -1.707 86 HA VAL 15 HA VAL 15 4.405 1.053 1.053 87 HB VAL 15 HB VAL 15 6.010 -1.508 -1.508 88 1HG1 VAL 15 3HG1 VAL 15 6.984 1.085 1.085 89 2HG1 VAL 15 1HG1 VAL 15 7.263 0.771 0.771 90 3HG1 VAL 15 2HG1 VAL 15 7.916 -0.344 -0.344 91 1HG2 VAL 15 3HG2 VAL 15 4.355 -0.127 -0.127 92 2HG2 VAL 15 1HG2 VAL 15 5.156 -1.713 -1.713 93 3HG2 VAL 15 2HG2 VAL 15 6.041 -0.236 -0.236 94 H GLU 16 H GLU 16 4.501 -1.480 -1.480 95 HA GLU 16 HA GLU 16 6.301 0.017 0.017 96 1HB GLU 16 1HB GLU 16 5.411 -2.665 -2.665 97 2HB GLU 16 2HB GLU 16 4.802 -2.068 -2.068 98 1HG GLU 16 1HG GLU 16 6.946 -2.789 -2.789 99 2HG GLU 16 2HG GLU 16 7.233 -1.086 -1.086 100 H ILE 17 H ILE 17 3.007 0.251 0.251 101 HA ILE 17 HA ILE 17 2.325 1.344 1.344 102 HB ILE 17 HB ILE 17 0.983 -0.458 -0.458 103 1HG1 ILE 17 1HG1 ILE 17 0.532 0.108 0.108 104 2HG1 ILE 17 2HG1 ILE 17 -0.977 0.089 0.089 105 1HG2 ILE 17 2HG2 ILE 17 -0.093 2.251 2.251 106 2HG2 ILE 17 3HG2 ILE 17 -1.000 0.727 0.727 107 3HG2 ILE 17 1HG2 ILE 17 0.517 0.953 0.953 108 1HD1 ILE 17 2HD1 ILE 17 -0.446 2.680 2.680 109 2HD1 ILE 17 3HD1 ILE 17 0.560 2.405 2.405 110 3HD1 ILE 17 1HD1 ILE 17 -1.186 2.066 2.066 111 H CYS 18 H CYS 18 2.427 2.051 2.051 112 HA CYS 18 HA CYS 18 2.713 4.844 4.844 113 1HB CYS 18 1HB CYS 18 0.197 3.980 3.980 114 2HB CYS 18 2HB CYS 18 0.793 4.415 4.415 115 HA PRO 19 HA PRO 19 5.396 3.407 3.407 116 1HB PRO 19 1HB PRO 19 7.696 4.580 4.580 117 2HB PRO 19 2HB PRO 19 7.237 2.938 2.938 118 1HG PRO 19 1HG PRO 19 7.132 5.361 5.361 119 2HG PRO 19 2HG PRO 19 7.090 3.679 3.679 120 1HD PRO 19 1HD PRO 19 4.864 5.484 5.484 121 2HD PRO 19 2HD PRO 19 4.806 3.774 3.774 122 H ASP 20 H ASP 20 3.927 6.147 6.147 123 HA ASP 20 HA ASP 20 5.422 7.722 7.722 124 1HB ASP 20 1HB ASP 20 4.105 8.328 8.328 125 2HB ASP 20 2HB ASP 20 3.004 8.936 8.936 126 H VAL 21 H VAL 21 2.760 5.578 5.578 127 HA VAL 21 HA VAL 21 1.444 6.837 6.837 128 HB VAL 21 HB VAL 21 0.304 4.961 4.961 129 1HG1 VAL 21 2HG1 VAL 21 -0.969 6.386 6.386 130 2HG1 VAL 21 3HG1 VAL 21 -1.883 5.593 5.593 131 3HG1 VAL 21 1HG1 VAL 21 -0.818 4.630 4.630 132 1HG2 VAL 21 1HG2 VAL 21 0.840 7.692 7.692 133 2HG2 VAL 21 2HG2 VAL 21 -0.262 6.723 6.723 134 3HG2 VAL 21 3HG2 VAL 21 -0.892 7.612 7.612 135 H PHE 22 H PHE 22 2.885 3.908 3.908 136 HA PHE 22 HA PHE 22 2.905 2.759 2.759 137 1HB PHE 22 1HB PHE 22 2.407 1.229 1.229 138 2HB PHE 22 2HB PHE 22 2.246 0.591 0.591 139 HD1 PHE 22 2HD PHE 22 0.435 1.723 1.723 140 HD2 PHE 22 1HD PHE 22 0.526 2.019 2.019 141 HE1 PHE 22 2HE PHE 22 -2.005 2.309 2.309 142 HE2 PHE 22 1HE PHE 22 -1.915 2.605 2.605 143 HZ PHE 22 HZ PHE 22 -3.151 2.743 2.743 144 H GLU 23 H GLU 23 4.969 2.307 2.307 145 HA GLU 23 HA GLU 23 6.781 1.533 1.533 146 1HB GLU 23 1HB GLU 23 7.712 3.605 3.605 147 2HB GLU 23 2HB GLU 23 7.025 3.774 3.774 148 1HG GLU 23 1HG GLU 23 8.723 2.181 2.181 149 2HG GLU 23 2HG GLU 23 9.401 1.983 1.983 150 H MET 24 H MET 24 8.698 0.249 0.249 151 HA MET 24 HA MET 24 7.824 -1.780 -1.780 152 1HB MET 24 1HB MET 24 10.770 -1.164 -1.164 153 2HB MET 24 2HB MET 24 9.984 -2.730 -2.730 154 1HG MET 24 1HG MET 24 9.967 -2.617 -2.617 155 2HG MET 24 2HG MET 24 8.674 -1.446 -1.446 156 1HE MET 24 3HE MET 24 9.808 -1.456 -1.456 157 2HE MET 24 1HE MET 24 10.467 0.147 0.147 158 3HE MET 24 2HE MET 24 11.565 -1.236 -1.236 159 H ASN 25 H ASN 25 8.464 -2.416 -2.416 160 HA ASN 25 HA ASN 25 8.561 -0.339 -0.339 161 1HB ASN 25 1HB ASN 25 7.967 -2.908 -2.908 162 2HB ASN 25 2HB ASN 25 9.673 -3.102 -3.102 163 1HD2 ASN 25 1HD2 ASN 25 10.021 -3.231 -3.231 164 2HD2 ASN 25 2HD2 ASN 25 9.278 -2.298 -2.298 165 H GLU 26 H GLU 26 10.747 -1.797 -1.797 166 HA GLU 26 HA GLU 26 12.884 -0.146 -0.146 167 1HB GLU 26 1HB GLU 26 12.042 -0.886 -0.886 168 2HB GLU 26 2HB GLU 26 13.308 -2.075 -2.075 169 1HG GLU 26 1HG GLU 26 14.293 0.496 0.496 170 2HG GLU 26 2HG GLU 26 13.591 0.701 0.701 171 H GLU 27 H GLU 27 11.880 -3.500 -3.500 172 HA GLU 27 HA GLU 27 14.389 -4.031 -4.031 173 1HB GLU 27 1HB GLU 27 13.099 -6.274 -6.274 174 2HB GLU 27 2HB GLU 27 14.783 -6.047 -6.047 175 1HG GLU 27 1HG GLU 27 14.765 -4.020 -4.020 176 2HG GLU 27 2HG GLU 27 13.215 -4.614 -4.614 177 H GLY 28 H GLY 28 11.209 -3.524 -3.524 178 1HA GLY 28 1HA GLY 28 9.799 -3.987 -3.987 179 2HA GLY 28 2HA GLY 28 11.032 -4.989 -4.989 180 H ASP 29 H ASP 29 10.186 -5.628 -5.628 181 HA ASP 29 HA ASP 29 9.313 -8.221 -8.221 182 1HB ASP 29 1HB ASP 29 10.537 -7.161 -7.161 183 2HB ASP 29 2HB ASP 29 8.883 -7.234 -7.234 184 H LYS 30 H LYS 30 7.852 -5.183 -5.183 185 HA LYS 30 HA LYS 30 5.247 -6.244 -6.244 186 1HB LYS 30 1HB LYS 30 5.539 -6.389 -6.389 187 2HB LYS 30 2HB LYS 30 5.797 -4.656 -4.656 188 1HG LYS 30 1HG LYS 30 3.478 -4.668 -4.668 189 2HG LYS 30 2HG LYS 30 3.270 -6.188 -6.188 190 1HD LYS 30 1HD LYS 30 4.253 -4.111 -4.111 191 2HD LYS 30 2HD LYS 30 2.785 -3.588 -3.588 192 1HE LYS 30 1HE LYS 30 2.091 -4.751 -4.751 193 2HE LYS 30 2HE LYS 30 1.753 -5.855 -5.855 194 1HZ LYS 30 1HZ LYS 30 3.312 -7.284 -7.284 195 2HZ LYS 30 2HZ LYS 30 4.386 -6.121 -6.121 196 H ALA 31 H ALA 31 3.763 -4.662 -4.662 197 HA ALA 31 HA ALA 31 5.115 -2.500 -2.500 198 1HB ALA 31 1HB ALA 31 2.664 -4.024 -4.024 199 2HB ALA 31 2HB ALA 31 2.308 -2.280 -2.280 200 3HB ALA 31 3HB ALA 31 3.479 -2.990 -2.990 201 H VAL 32 H VAL 32 5.614 -0.650 -0.650 202 HA VAL 32 HA VAL 32 3.917 0.138 0.138 203 HB VAL 32 HB VAL 32 6.617 0.045 0.045 204 1HG1 VAL 32 1HG1 VAL 32 6.326 2.022 2.022 205 2HG1 VAL 32 2HG1 VAL 32 5.999 2.997 2.997 206 3HG1 VAL 32 3HG1 VAL 32 7.562 2.165 2.165 207 1HG2 VAL 32 1HG2 VAL 32 4.981 1.839 1.839 208 2HG2 VAL 32 2HG2 VAL 32 5.512 0.170 0.170 209 3HG2 VAL 32 3HG2 VAL 32 6.710 1.482 1.482 210 H VAL 33 H VAL 33 2.870 2.180 2.180 211 HA VAL 33 HA VAL 33 2.167 3.198 3.198 212 HB VAL 33 HB VAL 33 1.193 3.979 3.979 213 1HG1 VAL 33 3HG1 VAL 33 0.837 5.497 5.497 214 2HG1 VAL 33 1HG1 VAL 33 -0.371 4.271 4.271 215 3HG1 VAL 33 2HG1 VAL 33 -0.531 5.154 5.154 216 1HG2 VAL 33 2HG2 VAL 33 0.864 1.513 1.513 217 2HG2 VAL 33 3HG2 VAL 33 -0.040 2.121 2.121 218 3HG2 VAL 33 1HG2 VAL 33 -0.667 2.390 2.390 219 H ILE 34 H ILE 34 2.483 5.364 5.364 220 HA ILE 34 HA ILE 34 4.465 6.827 6.827 221 HB ILE 34 HB ILE 34 4.576 7.427 7.427 222 1HG1 ILE 34 1HG1 ILE 34 5.241 4.559 4.559 223 2HG1 ILE 34 2HG1 ILE 34 3.777 5.058 5.058 224 1HG2 ILE 34 1HG2 ILE 34 6.244 7.891 7.891 225 2HG2 ILE 34 2HG2 ILE 34 6.719 6.182 6.182 226 3HG2 ILE 34 3HG2 ILE 34 6.898 7.280 7.280 227 1HD1 ILE 34 2HD1 ILE 34 6.667 5.569 5.569 228 2HD1 ILE 34 3HD1 ILE 34 5.586 4.332 4.332 229 3HD1 ILE 34 1HD1 ILE 34 5.219 6.059 6.059 230 H ASN 35 H ASN 35 1.550 6.844 6.844 231 HA ASN 35 HA ASN 35 1.246 9.656 9.656 232 1HB ASN 35 1HB ASN 35 1.292 8.705 8.705 233 2HB ASN 35 2HB ASN 35 -0.394 8.370 8.370 234 1HD2 ASN 35 1HD2 ASN 35 1.428 10.460 10.460 235 2HD2 ASN 35 2HD2 ASN 35 0.616 11.966 11.966 236 HA PRO 36 HA PRO 36 -2.003 7.312 7.312 237 1HB PRO 36 1HB PRO 36 -1.808 8.583 8.583 238 2HB PRO 36 2HB PRO 36 -0.940 7.109 7.109 239 1HG PRO 36 1HG PRO 36 0.089 9.875 9.875 240 2HG PRO 36 2HG PRO 36 0.981 8.367 8.367 241 1HD PRO 36 1HD PRO 36 0.766 10.166 10.166 242 2HD PRO 36 2HD PRO 36 1.560 8.604 8.604 243 H ASP 37 H ASP 37 -2.280 9.460 9.460 244 HA ASP 37 HA ASP 37 -4.850 10.158 10.158 245 1HB ASP 37 1HB ASP 37 -3.961 11.569 11.569 246 2HB ASP 37 2HB ASP 37 -2.805 12.309 12.309 247 H SER 38 H SER 38 -3.347 9.248 9.248 248 HA SER 38 HA SER 38 -2.392 11.220 11.220 249 1HB SER 38 1HB SER 38 -2.507 8.509 8.509 250 2HB SER 38 2HB SER 38 -3.797 8.874 8.874 251 HG SER 38 HG SER 38 -1.842 10.524 10.524 252 H ASP 39 H ASP 39 -3.868 10.817 10.817 253 HA ASP 39 HA ASP 39 -6.579 11.386 11.386 254 1HB ASP 39 1HB ASP 39 -6.384 13.754 13.754 255 2HB ASP 39 2HB ASP 39 -6.045 13.594 13.594 256 H LEU 40 H LEU 40 -4.772 9.643 9.643 257 HA LEU 40 HA LEU 40 -5.474 10.566 10.566 258 1HB LEU 40 1HB LEU 40 -3.382 9.002 9.002 259 2HB LEU 40 2HB LEU 40 -3.264 10.733 10.733 260 HG LEU 40 HG LEU 40 -2.569 10.392 10.392 261 1HD1 LEU 40 1HD1 LEU 40 -3.555 7.696 7.696 262 2HD1 LEU 40 2HD1 LEU 40 -1.917 7.699 7.699 263 3HD1 LEU 40 3HD1 LEU 40 -3.240 8.549 8.549 264 1HD2 LEU 40 3HD2 LEU 40 -1.085 9.693 9.693 265 2HD2 LEU 40 1HD2 LEU 40 -0.494 10.350 10.350 266 3HD2 LEU 40 2HD2 LEU 40 -0.599 8.589 8.589 267 H ASP 41 H ASP 41 -5.526 8.587 8.587 268 HA ASP 41 HA ASP 41 -7.345 6.763 6.763 269 1HB ASP 41 1HB ASP 41 -7.450 7.779 7.779 270 2HB ASP 41 2HB ASP 41 -6.179 6.653 6.653 271 H CYS 42 H CYS 42 -4.009 6.985 6.985 272 HA CYS 42 HA CYS 42 -3.053 4.603 4.603 273 1HB CYS 42 1HB CYS 42 -2.169 6.660 6.660 274 2HB CYS 42 2HB CYS 42 -1.510 5.073 5.073 275 H VAL 43 H VAL 43 -4.964 5.379 5.379 276 HA VAL 43 HA VAL 43 -4.380 2.997 2.997 277 HB VAL 43 HB VAL 43 -6.780 4.825 4.825 278 1HG1 VAL 43 1HG1 VAL 43 -5.585 2.720 2.720 279 2HG1 VAL 43 2HG1 VAL 43 -6.541 4.063 4.063 280 3HG1 VAL 43 3HG1 VAL 43 -7.277 2.947 2.947 281 1HG2 VAL 43 3HG2 VAL 43 -4.333 5.813 5.813 282 2HG2 VAL 43 1HG2 VAL 43 -5.592 6.311 6.311 283 3HG2 VAL 43 2HG2 VAL 43 -4.378 5.099 5.099 284 H GLU 44 H GLU 44 -6.605 3.919 3.919 285 HA GLU 44 HA GLU 44 -8.283 1.676 1.676 286 1HB GLU 44 1HB GLU 44 -8.123 4.010 4.010 287 2HB GLU 44 2HB GLU 44 -8.523 2.576 2.576 288 1HG GLU 44 1HG GLU 44 -10.241 2.116 2.116 289 2HG GLU 44 2HG GLU 44 -10.045 3.827 3.827 290 H GLU 45 H GLU 45 -5.413 2.471 2.471 291 HA GLU 45 HA GLU 45 -5.602 -0.042 -0.042 292 1HB GLU 45 1HB GLU 45 -3.580 0.713 0.713 293 2HB GLU 45 2HB GLU 45 -4.803 1.969 1.969 294 1HG GLU 45 1HG GLU 45 -3.539 2.736 2.736 295 2HG GLU 45 2HG GLU 45 -2.204 1.850 1.850 296 H ALA 46 H ALA 46 -4.008 1.360 1.360 297 HA ALA 46 HA ALA 46 -1.951 -0.604 -0.604 298 1HB ALA 46 1HB ALA 46 -3.104 1.446 1.446 299 2HB ALA 46 2HB ALA 46 -1.733 0.386 0.386 300 3HB ALA 46 3HB ALA 46 -1.591 1.553 1.553 301 H ILE 47 H ILE 47 -5.359 -0.421 -0.421 302 HA ILE 47 HA ILE 47 -5.137 -2.636 -2.636 303 HB ILE 47 HB ILE 47 -7.236 -0.668 -0.668 304 1HG1 ILE 47 1HG1 ILE 47 -6.809 -1.675 -1.675 305 2HG1 ILE 47 2HG1 ILE 47 -5.510 -0.708 -0.708 306 1HG2 ILE 47 1HG2 ILE 47 -7.760 -3.467 -3.467 307 2HG2 ILE 47 2HG2 ILE 47 -8.827 -2.124 -2.124 308 3HG2 ILE 47 3HG2 ILE 47 -8.605 -2.518 -2.518 309 1HD1 ILE 47 2HD1 ILE 47 -7.846 0.685 0.685 310 2HD1 ILE 47 3HD1 ILE 47 -8.167 0.084 0.084 311 3HD1 ILE 47 1HD1 ILE 47 -6.731 1.087 1.087 312 H ASP 48 H ASP 48 -6.694 -1.832 -1.832 313 HA ASP 48 HA ASP 48 -7.783 -4.293 -4.293 314 1HB ASP 48 1HB ASP 48 -7.659 -1.933 -1.933 315 2HB ASP 48 2HB ASP 48 -6.545 -2.877 -2.877 316 H SER 49 H SER 49 -4.562 -2.932 -2.932 317 HA SER 49 HA SER 49 -3.689 -5.211 -5.211 318 1HB SER 49 1HB SER 49 -2.153 -2.965 -2.965 319 2HB SER 49 2HB SER 49 -1.376 -4.196 -4.196 320 HG SER 49 HG SER 49 -3.480 -2.435 -2.435 321 H CYS 50 H CYS 50 -4.185 -4.552 -4.552 322 HA CYS 50 HA CYS 50 -2.179 -6.428 -6.428 323 1HB CYS 50 1HB CYS 50 -2.446 -4.532 -4.532 324 2HB CYS 50 2HB CYS 50 -4.190 -4.695 -4.695 325 HA PRO 51 HA PRO 51 -5.236 -9.582 -9.582 326 1HB PRO 51 1HB PRO 51 -3.570 -11.718 -11.718 327 2HB PRO 51 2HB PRO 51 -3.816 -10.944 -10.944 328 1HG PRO 51 1HG PRO 51 -1.492 -10.755 -10.755 329 2HG PRO 51 2HG PRO 51 -1.590 -10.353 -10.353 330 1HD PRO 51 1HD PRO 51 -1.573 -8.512 -8.512 331 2HD PRO 51 2HD PRO 51 -1.787 -8.119 -8.119 332 H ALA 52 H ALA 52 -3.088 -9.168 -9.168 333 HA ALA 52 HA ALA 52 -4.619 -10.950 -10.950 334 1HB ALA 52 2HB ALA 52 -2.159 -9.258 -9.258 335 2HB ALA 52 3HB ALA 52 -3.025 -9.650 -9.650 336 3HB ALA 52 1HB ALA 52 -2.422 -10.958 -10.958 337 H GLU 53 H GLU 53 -5.074 -7.836 -7.836 338 HA GLU 53 HA GLU 53 -6.110 -6.017 -6.017 339 1HB GLU 53 1HB GLU 53 -7.863 -7.778 -7.778 340 2HB GLU 53 2HB GLU 53 -8.189 -7.995 -7.995 341 1HG GLU 53 1HG GLU 53 -9.359 -6.041 -6.041 342 2HG GLU 53 2HG GLU 53 -8.137 -5.145 -5.145 343 H ALA 54 H ALA 54 -4.177 -6.543 -6.543 344 HA ALA 54 HA ALA 54 -5.415 -6.646 -6.646 345 1HB ALA 54 2HB ALA 54 -2.940 -7.334 -7.334 346 2HB ALA 54 3HB ALA 54 -2.592 -5.842 -5.842 347 3HB ALA 54 1HB ALA 54 -3.338 -7.232 -7.232 348 H ILE 55 H ILE 55 -4.864 -4.287 -4.287 349 HA ILE 55 HA ILE 55 -4.460 -2.124 -2.124 350 HB ILE 55 HB ILE 55 -4.835 -2.089 -2.089 351 1HG1 ILE 55 1HG1 ILE 55 -2.803 -3.354 -3.354 352 2HG1 ILE 55 2HG1 ILE 55 -2.588 -2.358 -2.358 353 1HG2 ILE 55 3HG2 ILE 55 -4.147 0.016 0.016 354 2HG2 ILE 55 1HG2 ILE 55 -3.551 0.138 0.138 355 3HG2 ILE 55 2HG2 ILE 55 -5.301 0.077 0.077 356 1HD1 ILE 55 3HD1 ILE 55 -2.228 -1.338 -1.338 357 2HD1 ILE 55 1HD1 ILE 55 -0.897 -1.973 -1.973 358 3HD1 ILE 55 2HD1 ILE 55 -1.770 -0.508 -0.508 359 H VAL 56 H VAL 56 -6.044 -0.860 -0.860 360 HA VAL 56 HA VAL 56 -8.625 -0.810 -0.810 361 HB VAL 56 HB VAL 56 -9.482 -1.137 -1.137 362 1HG1 VAL 56 2HG1 VAL 56 -10.129 -2.309 -2.309 363 2HG1 VAL 56 3HG1 VAL 56 -8.935 -3.551 -3.551 364 3HG1 VAL 56 1HG1 VAL 56 -10.329 -3.232 -3.232 365 1HG2 VAL 56 3HG2 VAL 56 -7.228 -1.610 -1.610 366 2HG2 VAL 56 1HG2 VAL 56 -8.314 -3.009 -3.009 367 3HG2 VAL 56 2HG2 VAL 56 -7.092 -2.996 -2.996 368 H ARG 57 H ARG 57 -9.949 1.013 1.013 369 HA ARG 57 HA ARG 57 -8.243 3.152 3.152 370 1HB ARG 57 1HB ARG 57 -11.098 2.994 2.994 371 2HB ARG 57 2HB ARG 57 -10.449 4.498 4.498 372 1HG ARG 57 1HG ARG 57 -8.404 3.823 3.823 373 2HG ARG 57 2HG ARG 57 -9.705 2.991 2.991 374 1HD ARG 57 1HD ARG 57 -9.820 5.938 5.938 375 2HD ARG 57 2HD ARG 57 -9.327 5.382 5.382 376 HE ARG 57 HE ARG 57 -12.050 5.482 5.482 377 1HH1 ARG 57 2HH2 ARG 57 -9.936 3.791 3.791 378 2HH1 ARG 57 1HH2 ARG 57 -11.238 3.290 3.290 379 1HH2 ARG 57 2HH1 ARG 57 -13.730 4.825 4.825 380 2HH2 ARG 57 1HH1 ARG 57 -13.483 3.907 3.907 381 H SER 58 H SER 58 -8.597 1.312 1.312 382 HA SER 58 HA SER 58 -10.706 1.474 1.474 383 1HB SER 58 1HB SER 58 -8.369 0.306 0.306 384 2HB SER 58 2HB SER 58 -7.917 1.752 1.752 385 HG SER 58 HG SER 58 -8.989 -0.259 -0.259 Start of MODEL 2 1 HA PRO 1 HA PRO 1 -7.948 6.844 6.844 2 1HB PRO 1 1HB PRO 1 -5.302 7.422 7.422 3 2HB PRO 1 2HB PRO 1 -6.452 8.569 8.569 4 1HG PRO 1 1HG PRO 1 -4.367 7.022 7.022 5 2HG PRO 1 2HG PRO 1 -5.223 8.455 8.455 6 1HD PRO 1 1HD PRO 1 -5.695 5.756 5.756 7 2HD PRO 1 2HD PRO 1 -6.625 7.174 7.174 8 H ILE 2 H ILE 2 -4.793 5.336 5.336 9 HA ILE 2 HA ILE 2 -5.781 3.112 3.112 10 HB ILE 2 HB ILE 2 -3.683 3.272 3.272 11 1HG1 ILE 2 1HG1 ILE 2 -2.845 5.129 5.129 12 2HG1 ILE 2 2HG1 ILE 2 -2.242 5.012 5.012 13 1HG2 ILE 2 2HG2 ILE 2 -6.009 5.147 5.147 14 2HG2 ILE 2 3HG2 ILE 2 -4.670 5.314 5.314 15 3HG2 ILE 2 1HG2 ILE 2 -5.559 3.777 3.777 16 1HD1 ILE 2 1HD1 ILE 2 -4.737 6.604 6.604 17 2HD1 ILE 2 2HD1 ILE 2 -3.247 7.283 7.283 18 3HD1 ILE 2 3HD1 ILE 2 -3.338 6.938 6.938 19 H GLU 3 H GLU 3 -5.499 1.408 1.408 20 HA GLU 3 HA GLU 3 -2.957 1.347 1.347 21 1HB GLU 3 1HB GLU 3 -5.219 1.572 1.572 22 2HB GLU 3 2HB GLU 3 -5.436 -0.125 -0.125 23 1HG GLU 3 1HG GLU 3 -4.233 -0.478 -0.478 24 2HG GLU 3 2HG GLU 3 -2.843 -0.174 -0.174 25 H VAL 4 H VAL 4 -1.930 -0.775 -0.775 26 HA VAL 4 HA VAL 4 -2.866 -2.655 -2.655 27 HB VAL 4 HB VAL 4 -0.832 -1.669 -1.669 28 1HG1 VAL 4 3HG1 VAL 4 -0.205 -1.659 -1.659 29 2HG1 VAL 4 1HG1 VAL 4 1.144 -2.292 -2.292 30 3HG1 VAL 4 2HG1 VAL 4 0.474 -0.681 -0.681 31 1HG2 VAL 4 2HG2 VAL 4 -1.104 -4.222 -4.222 32 2HG2 VAL 4 3HG2 VAL 4 0.532 -3.564 -3.564 33 3HG2 VAL 4 1HG2 VAL 4 0.075 -4.265 -4.265 34 H ASN 5 H ASN 5 -3.032 -4.841 -4.841 35 HA ASN 5 HA ASN 5 -3.281 -5.316 -5.316 36 1HB ASN 5 1HB ASN 5 -3.466 -7.200 -7.200 37 2HB ASN 5 2HB ASN 5 -3.903 -7.655 -7.655 38 1HD2 ASN 5 1HD2 ASN 5 -5.969 -8.113 -8.113 39 2HD2 ASN 5 2HD2 ASN 5 -7.148 -6.856 -6.856 40 H ASP 6 H ASP 6 -2.388 -7.954 -7.954 41 HA ASP 6 HA ASP 6 0.477 -7.590 -7.590 42 1HB ASP 6 1HB ASP 6 -0.321 -7.882 -7.882 43 2HB ASP 6 2HB ASP 6 -1.199 -9.332 -9.332 44 H ASP 7 H ASP 7 -2.272 -9.331 -9.331 45 HA ASP 7 HA ASP 7 -1.227 -11.850 -11.850 46 1HB ASP 7 1HB ASP 7 -3.533 -10.307 -10.307 47 2HB ASP 7 2HB ASP 7 -2.909 -11.165 -11.165 48 H CYS 8 H CYS 8 -0.777 -8.750 -8.750 49 HA CYS 8 HA CYS 8 0.012 -9.587 -9.587 50 1HB CYS 8 1HB CYS 8 -0.317 -7.276 -7.276 51 2HB CYS 8 2HB CYS 8 0.763 -7.197 -7.197 52 H MET 9 H MET 9 2.093 -10.148 -10.148 53 HA MET 9 HA MET 9 3.866 -11.263 -11.263 54 1HB MET 9 1HB MET 9 3.093 -11.868 -11.868 55 2HB MET 9 2HB MET 9 4.806 -12.065 -12.065 56 1HG MET 9 1HG MET 9 2.646 -13.313 -13.313 57 2HG MET 9 2HG MET 9 3.360 -14.149 -14.149 58 1HE MET 9 3HE MET 9 3.480 -12.843 -12.843 59 2HE MET 9 1HE MET 9 3.744 -14.569 -14.569 60 3HE MET 9 2HE MET 9 5.006 -13.379 -13.379 61 H ALA 10 H ALA 10 4.281 -9.730 -9.730 62 HA ALA 10 HA ALA 10 5.671 -7.525 -7.525 63 1HB ALA 10 1HB ALA 10 7.377 -10.004 -10.004 64 2HB ALA 10 2HB ALA 10 8.087 -8.486 -8.486 65 3HB ALA 10 3HB ALA 10 7.403 -8.561 -8.561 66 H CYS 11 H CYS 11 3.880 -8.175 -8.175 67 HA CYS 11 HA CYS 11 5.171 -8.923 -8.923 68 1HB CYS 11 1HB CYS 11 2.487 -7.628 -7.628 69 2HB CYS 11 2HB CYS 11 3.037 -8.165 -8.165 70 H GLU 12 H GLU 12 4.314 -5.875 -5.875 71 HA GLU 12 HA GLU 12 4.847 -3.797 -3.797 72 1HB GLU 12 1HB GLU 12 7.181 -5.045 -5.045 73 2HB GLU 12 2HB GLU 12 7.065 -3.322 -3.322 74 1HG GLU 12 1HG GLU 12 7.688 -3.547 -3.547 75 2HG GLU 12 2HG GLU 12 6.557 -4.857 -4.857 76 H ALA 13 H ALA 13 3.081 -5.254 -5.254 77 HA ALA 13 HA ALA 13 3.599 -4.208 -4.208 78 1HB ALA 13 1HB ALA 13 2.189 -6.236 -6.236 79 2HB ALA 13 2HB ALA 13 0.927 -5.086 -5.086 80 3HB ALA 13 3HB ALA 13 1.460 -5.135 -5.135 81 H CYS 14 H CYS 14 1.414 -3.232 -3.232 82 HA CYS 14 HA CYS 14 0.330 -1.040 -1.040 83 1HB CYS 14 1HB CYS 14 0.643 -0.990 -0.990 84 2HB CYS 14 2HB CYS 14 -0.731 -0.537 -0.537 85 H VAL 15 H VAL 15 3.381 -1.632 -1.632 86 HA VAL 15 HA VAL 15 4.020 1.128 1.128 87 HB VAL 15 HB VAL 15 5.643 -1.418 -1.418 88 1HG1 VAL 15 3HG1 VAL 15 6.733 1.041 1.041 89 2HG1 VAL 15 1HG1 VAL 15 6.624 1.018 1.018 90 3HG1 VAL 15 2HG1 VAL 15 7.518 -0.262 -0.262 91 1HG2 VAL 15 3HG2 VAL 15 3.685 -0.848 -0.848 92 2HG2 VAL 15 1HG2 VAL 15 5.241 -1.441 -1.441 93 3HG2 VAL 15 2HG2 VAL 15 4.860 0.297 0.297 94 H GLU 16 H GLU 16 4.464 -1.372 -1.372 95 HA GLU 16 HA GLU 16 6.395 0.156 0.156 96 1HB GLU 16 1HB GLU 16 5.905 -2.448 -2.448 97 2HB GLU 16 2HB GLU 16 4.751 -2.048 -2.048 98 1HG GLU 16 1HG GLU 16 6.432 -1.952 -1.952 99 2HG GLU 16 2HG GLU 16 7.154 -0.623 -0.623 100 H ILE 17 H ILE 17 2.966 0.267 0.267 101 HA ILE 17 HA ILE 17 2.666 1.630 1.630 102 HB ILE 17 HB ILE 17 1.191 -0.370 -0.370 103 1HG1 ILE 17 1HG1 ILE 17 0.949 0.319 0.319 104 2HG1 ILE 17 2HG1 ILE 17 -0.661 0.505 0.505 105 1HG2 ILE 17 2HG2 ILE 17 0.555 1.261 1.261 106 2HG2 ILE 17 3HG2 ILE 17 -0.528 1.993 1.993 107 3HG2 ILE 17 1HG2 ILE 17 -0.716 0.278 0.278 108 1HD1 ILE 17 1HD1 ILE 17 -0.044 2.956 2.956 109 2HD1 ILE 17 2HD1 ILE 17 1.407 2.660 2.660 110 3HD1 ILE 17 3HD1 ILE 17 -0.211 2.475 2.475 111 H CYS 18 H CYS 18 2.581 1.988 1.988 112 HA CYS 18 HA CYS 18 2.439 4.856 4.856 113 1HB CYS 18 1HB CYS 18 0.111 3.869 3.869 114 2HB CYS 18 2HB CYS 18 0.708 3.590 3.590 115 HA PRO 19 HA PRO 19 5.543 3.387 3.387 116 1HB PRO 19 1HB PRO 19 7.740 4.541 4.541 117 2HB PRO 19 2HB PRO 19 7.254 2.886 2.886 118 1HG PRO 19 1HG PRO 19 6.973 5.259 5.259 119 2HG PRO 19 2HG PRO 19 6.895 3.563 3.563 120 1HD PRO 19 1HD PRO 19 4.682 5.364 5.364 121 2HD PRO 19 2HD PRO 19 4.597 3.643 3.643 122 H ASP 20 H ASP 20 3.982 6.093 6.093 123 HA ASP 20 HA ASP 20 5.631 7.699 7.699 124 1HB ASP 20 1HB ASP 20 4.337 8.318 8.318 125 2HB ASP 20 2HB ASP 20 3.159 8.867 8.867 126 H VAL 21 H VAL 21 2.897 5.628 5.628 127 HA VAL 21 HA VAL 21 1.745 6.954 6.954 128 HB VAL 21 HB VAL 21 0.465 5.249 5.249 129 1HG1 VAL 21 1HG1 VAL 21 -0.720 6.317 6.317 130 2HG1 VAL 21 2HG1 VAL 21 -1.659 5.612 5.612 131 3HG1 VAL 21 3HG1 VAL 21 -0.487 4.610 4.610 132 1HG2 VAL 21 2HG2 VAL 21 0.871 7.625 7.625 133 2HG2 VAL 21 3HG2 VAL 21 -0.862 7.226 7.226 134 3HG2 VAL 21 1HG2 VAL 21 -0.077 8.118 8.118 135 H PHE 22 H PHE 22 3.358 4.173 4.173 136 HA PHE 22 HA PHE 22 3.144 2.886 2.886 137 1HB PHE 22 1HB PHE 22 2.980 1.464 1.464 138 2HB PHE 22 2HB PHE 22 2.720 0.730 0.730 139 HD1 PHE 22 2HD PHE 22 0.744 1.807 1.807 140 HD2 PHE 22 1HD PHE 22 1.133 2.071 2.071 141 HE1 PHE 22 2HE PHE 22 -1.718 2.252 2.252 142 HE2 PHE 22 1HE PHE 22 -1.328 2.516 2.516 143 HZ PHE 22 HZ PHE 22 -2.725 2.601 2.601 144 H GLU 23 H GLU 23 5.073 2.031 2.031 145 HA GLU 23 HA GLU 23 7.127 1.491 1.491 146 1HB GLU 23 1HB GLU 23 7.757 3.738 3.738 147 2HB GLU 23 2HB GLU 23 7.259 3.772 3.772 148 1HG GLU 23 1HG GLU 23 9.700 3.754 3.754 149 2HG GLU 23 2HG GLU 23 9.155 2.228 2.228 150 H MET 24 H MET 24 8.509 -0.157 -0.157 151 HA MET 24 HA MET 24 7.671 -1.793 -1.793 152 1HB MET 24 1HB MET 24 10.632 -1.628 -1.628 153 2HB MET 24 2HB MET 24 9.607 -3.047 -3.047 154 1HG MET 24 1HG MET 24 8.428 -1.936 -1.936 155 2HG MET 24 2HG MET 24 9.948 -1.074 -1.074 156 1HE MET 24 1HE MET 24 12.166 -2.027 -2.027 157 2HE MET 24 2HE MET 24 12.421 -3.478 -3.478 158 3HE MET 24 3HE MET 24 11.457 -2.121 -2.121 159 H ASN 25 H ASN 25 8.370 -2.252 -2.252 160 HA ASN 25 HA ASN 25 8.834 -0.015 -0.015 161 1HB ASN 25 1HB ASN 25 9.020 -1.558 -1.558 162 2HB ASN 25 2HB ASN 25 7.867 -2.264 -2.264 163 1HD2 ASN 25 1HD2 ASN 25 10.049 -3.172 -3.172 164 2HD2 ASN 25 2HD2 ASN 25 10.841 -4.489 -4.489 165 H GLU 26 H GLU 26 10.913 -1.165 -1.165 166 HA GLU 26 HA GLU 26 13.159 -0.031 -0.031 167 1HB GLU 26 1HB GLU 26 12.394 -0.427 -0.427 168 2HB GLU 26 2HB GLU 26 13.540 -1.743 -1.743 169 1HG GLU 26 1HG GLU 26 15.173 0.011 0.011 170 2HG GLU 26 2HG GLU 26 14.054 1.230 1.230 171 H GLU 27 H GLU 27 12.347 -3.415 -3.415 172 HA GLU 27 HA GLU 27 14.692 -4.459 -4.459 173 1HB GLU 27 1HB GLU 27 12.130 -5.942 -5.942 174 2HB GLU 27 2HB GLU 27 13.724 -6.646 -6.646 175 1HG GLU 27 1HG GLU 27 13.707 -4.383 -4.383 176 2HG GLU 27 2HG GLU 27 12.623 -5.672 -5.672 177 H GLY 28 H GLY 28 11.739 -3.325 -3.325 178 1HA GLY 28 1HA GLY 28 10.961 -3.306 -3.306 179 2HA GLY 28 2HA GLY 28 12.465 -4.035 -4.035 180 H ASP 29 H ASP 29 10.104 -5.357 -5.357 181 HA ASP 29 HA ASP 29 9.761 -7.587 -7.587 182 1HB ASP 29 1HB ASP 29 10.744 -7.665 -7.665 183 2HB ASP 29 2HB ASP 29 9.037 -7.896 -7.896 184 H LYS 30 H LYS 30 8.318 -4.867 -4.867 185 HA LYS 30 HA LYS 30 5.661 -5.875 -5.875 186 1HB LYS 30 1HB LYS 30 4.779 -4.766 -4.766 187 2HB LYS 30 2HB LYS 30 5.698 -6.235 -6.235 188 1HG LYS 30 1HG LYS 30 7.671 -4.243 -4.243 189 2HG LYS 30 2HG LYS 30 6.307 -3.468 -3.468 190 1HD LYS 30 1HD LYS 30 7.285 -6.255 -6.255 191 2HD LYS 30 2HD LYS 30 7.869 -4.795 -4.795 192 1HE LYS 30 1HE LYS 30 4.900 -4.999 -4.999 193 2HE LYS 30 2HE LYS 30 5.681 -6.213 -6.213 194 1HZ LYS 30 1HZ LYS 30 5.625 -3.289 -3.289 195 2HZ LYS 30 2HZ LYS 30 5.399 -4.424 -4.424 196 H ALA 31 H ALA 31 4.351 -4.364 -4.364 197 HA ALA 31 HA ALA 31 5.711 -1.950 -1.950 198 1HB ALA 31 3HB ALA 31 3.308 -3.538 -3.538 199 2HB ALA 31 1HB ALA 31 3.339 -1.804 -1.804 200 3HB ALA 31 2HB ALA 31 4.635 -2.876 -2.876 201 H VAL 32 H VAL 32 5.793 -0.516 -0.516 202 HA VAL 32 HA VAL 32 3.415 -0.089 -0.089 203 HB VAL 32 HB VAL 32 6.148 1.204 1.204 204 1HG1 VAL 32 2HG1 VAL 32 3.687 1.980 1.980 205 2HG1 VAL 32 3HG1 VAL 32 4.894 1.495 1.495 206 3HG1 VAL 32 1HG1 VAL 32 5.282 2.770 2.770 207 1HG2 VAL 32 3HG2 VAL 32 6.211 -1.175 -1.175 208 2HG2 VAL 32 1HG2 VAL 32 6.540 -0.165 -0.165 209 3HG2 VAL 32 2HG2 VAL 32 4.943 -0.924 -0.924 210 H VAL 33 H VAL 33 2.186 1.854 1.854 211 HA VAL 33 HA VAL 33 2.033 3.157 3.157 212 HB VAL 33 HB VAL 33 0.539 3.471 3.471 213 1HG1 VAL 33 3HG1 VAL 33 0.665 5.552 5.552 214 2HG1 VAL 33 1HG1 VAL 33 -0.354 4.622 4.622 215 3HG1 VAL 33 2HG1 VAL 33 -0.943 4.987 4.987 216 1HG2 VAL 33 3HG2 VAL 33 0.359 1.607 1.607 217 2HG2 VAL 33 1HG2 VAL 33 -0.563 1.654 1.654 218 3HG2 VAL 33 2HG2 VAL 33 -1.135 2.569 2.569 219 H ILE 34 H ILE 34 2.681 5.229 5.229 220 HA ILE 34 HA ILE 34 4.237 6.606 6.606 221 HB ILE 34 HB ILE 34 4.917 7.597 7.597 222 1HG1 ILE 34 1HG1 ILE 34 5.000 4.569 4.569 223 2HG1 ILE 34 2HG1 ILE 34 3.834 5.548 5.548 224 1HG2 ILE 34 1HG2 ILE 34 6.246 7.198 7.198 225 2HG2 ILE 34 2HG2 ILE 34 6.559 5.580 5.580 226 3HG2 ILE 34 3HG2 ILE 34 7.081 7.030 7.030 227 1HD1 ILE 34 2HD1 ILE 34 6.861 5.848 5.848 228 2HD1 ILE 34 3HD1 ILE 34 5.908 4.770 4.770 229 3HD1 ILE 34 1HD1 ILE 34 5.622 6.527 6.527 230 H ASN 35 H ASN 35 1.657 6.813 6.813 231 HA ASN 35 HA ASN 35 1.267 9.578 9.578 232 1HB ASN 35 1HB ASN 35 1.566 8.758 8.758 233 2HB ASN 35 2HB ASN 35 -0.134 8.361 8.361 234 1HD2 ASN 35 1HD2 ASN 35 0.774 10.237 10.237 235 2HD2 ASN 35 2HD2 ASN 35 0.234 11.821 11.821 236 HA PRO 36 HA PRO 36 -2.206 7.351 7.351 237 1HB PRO 36 1HB PRO 36 -2.479 8.929 8.929 238 2HB PRO 36 2HB PRO 36 -1.463 7.503 7.503 239 1HG PRO 36 1HG PRO 36 -0.666 10.348 10.348 240 2HG PRO 36 2HG PRO 36 0.310 8.944 8.944 241 1HD PRO 36 1HD PRO 36 0.322 10.421 10.421 242 2HD PRO 36 2HD PRO 36 1.210 8.949 8.949 243 H ASP 37 H ASP 37 -2.293 9.277 9.277 244 HA ASP 37 HA ASP 37 -4.982 9.793 9.793 245 1HB ASP 37 1HB ASP 37 -4.436 11.485 11.485 246 2HB ASP 37 2HB ASP 37 -3.233 12.206 12.206 247 H SER 38 H SER 38 -3.023 8.765 8.765 248 HA SER 38 HA SER 38 -1.734 10.188 10.188 249 1HB SER 38 1HB SER 38 -1.998 7.863 7.863 250 2HB SER 38 2HB SER 38 -3.743 7.980 7.980 251 HG SER 38 HG SER 38 -2.656 7.777 7.777 252 H ASP 39 H ASP 39 -5.271 9.582 9.582 253 HA ASP 39 HA ASP 39 -6.851 10.927 10.927 254 1HB ASP 39 1HB ASP 39 -5.532 12.743 12.743 255 2HB ASP 39 2HB ASP 39 -4.915 13.264 13.264 256 H LEU 40 H LEU 40 -4.259 9.824 9.824 257 HA LEU 40 HA LEU 40 -4.444 11.390 11.390 258 1HB LEU 40 1HB LEU 40 -2.882 8.851 8.851 259 2HB LEU 40 2HB LEU 40 -2.581 10.200 10.200 260 HG LEU 40 HG LEU 40 -2.454 10.730 10.730 261 1HD1 LEU 40 1HD1 LEU 40 -1.079 8.540 8.540 262 2HD1 LEU 40 2HD1 LEU 40 0.125 9.850 9.850 263 3HD1 LEU 40 3HD1 LEU 40 -0.720 9.423 9.423 264 1HD2 LEU 40 1HD2 LEU 40 -2.151 12.454 12.454 265 2HD2 LEU 40 2HD2 LEU 40 -0.889 12.383 12.383 266 3HD2 LEU 40 3HD2 LEU 40 -0.597 11.655 11.655 267 H ASP 41 H ASP 41 -3.897 8.747 8.747 268 HA ASP 41 HA ASP 41 -6.590 7.679 7.679 269 1HB ASP 41 1HB ASP 41 -6.705 9.310 9.310 270 2HB ASP 41 2HB ASP 41 -5.161 8.799 8.799 271 H CYS 42 H CYS 42 -3.511 7.041 7.041 272 HA CYS 42 HA CYS 42 -3.208 4.787 4.787 273 1HB CYS 42 1HB CYS 42 -0.948 4.610 4.610 274 2HB CYS 42 2HB CYS 42 -1.274 6.195 6.195 275 H VAL 43 H VAL 43 -4.567 5.612 5.612 276 HA VAL 43 HA VAL 43 -3.837 3.323 3.323 277 HB VAL 43 HB VAL 43 -6.106 5.307 5.307 278 1HG1 VAL 43 1HG1 VAL 43 -6.659 3.133 3.133 279 2HG1 VAL 43 2HG1 VAL 43 -5.188 3.284 3.284 280 3HG1 VAL 43 3HG1 VAL 43 -6.501 4.474 4.474 281 1HG2 VAL 43 1HG2 VAL 43 -3.388 5.087 5.087 282 2HG2 VAL 43 2HG2 VAL 43 -4.021 6.413 6.413 283 3HG2 VAL 43 3HG2 VAL 43 -4.693 6.127 6.127 284 H GLU 44 H GLU 44 -6.411 4.125 4.125 285 HA GLU 44 HA GLU 44 -8.020 1.932 1.932 286 1HB GLU 44 1HB GLU 44 -8.470 4.087 4.087 287 2HB GLU 44 2HB GLU 44 -7.800 3.161 3.161 288 1HG GLU 44 1HG GLU 44 -9.899 2.323 2.323 289 2HG GLU 44 2HG GLU 44 -9.568 1.333 1.333 290 H GLU 45 H GLU 45 -5.245 2.420 2.420 291 HA GLU 45 HA GLU 45 -5.549 -0.205 -0.205 292 1HB GLU 45 1HB GLU 45 -3.494 0.347 0.347 293 2HB GLU 45 2HB GLU 45 -4.699 1.612 1.612 294 1HG GLU 45 1HG GLU 45 -3.514 2.823 2.823 295 2HG GLU 45 2HG GLU 45 -2.239 1.628 1.628 296 H ALA 46 H ALA 46 -4.365 1.059 1.059 297 HA ALA 46 HA ALA 46 -2.228 -0.911 -0.911 298 1HB ALA 46 1HB ALA 46 -2.903 1.692 1.692 299 2HB ALA 46 2HB ALA 46 -2.427 0.480 0.480 300 3HB ALA 46 3HB ALA 46 -1.329 0.872 0.872 301 H ILE 47 H ILE 47 -5.598 -0.542 -0.542 302 HA ILE 47 HA ILE 47 -5.525 -2.546 -2.546 303 HB ILE 47 HB ILE 47 -7.424 -0.373 -0.373 304 1HG1 ILE 47 1HG1 ILE 47 -7.052 -1.135 -1.135 305 2HG1 ILE 47 2HG1 ILE 47 -5.550 -0.666 -0.666 306 1HG2 ILE 47 1HG2 ILE 47 -8.194 -3.072 -3.072 307 2HG2 ILE 47 2HG2 ILE 47 -8.920 -1.695 -1.695 308 3HG2 ILE 47 3HG2 ILE 47 -9.128 -1.852 -1.852 309 1HD1 ILE 47 3HD1 ILE 47 -7.414 1.236 1.236 310 2HD1 ILE 47 1HD1 ILE 47 -7.861 0.951 0.951 311 3HD1 ILE 47 2HD1 ILE 47 -6.208 1.466 1.466 312 H ASP 48 H ASP 48 -7.065 -1.687 -1.687 313 HA ASP 48 HA ASP 48 -8.524 -4.000 -4.000 314 1HB ASP 48 1HB ASP 48 -8.039 -1.717 -1.717 315 2HB ASP 48 2HB ASP 48 -7.333 -2.974 -2.974 316 H SER 49 H SER 49 -5.144 -3.134 -3.134 317 HA SER 49 HA SER 49 -4.670 -5.579 -5.579 318 1HB SER 49 1HB SER 49 -2.633 -3.631 -3.631 319 2HB SER 49 2HB SER 49 -2.330 -4.831 -4.831 320 HG SER 49 HG SER 49 -4.445 -3.248 -3.248 321 H CYS 50 H CYS 50 -5.094 -4.782 -4.782 322 HA CYS 50 HA CYS 50 -3.119 -6.627 -6.627 323 1HB CYS 50 1HB CYS 50 -3.623 -4.513 -4.513 324 2HB CYS 50 2HB CYS 50 -5.262 -5.068 -5.068 325 HA PRO 51 HA PRO 51 -6.158 -9.803 -9.803 326 1HB PRO 51 1HB PRO 51 -4.504 -11.920 -11.920 327 2HB PRO 51 2HB PRO 51 -4.699 -11.214 -11.214 328 1HG PRO 51 1HG PRO 51 -2.437 -10.943 -10.943 329 2HG PRO 51 2HG PRO 51 -2.477 -10.614 -10.614 330 1HD PRO 51 1HD PRO 51 -2.534 -8.681 -8.681 331 2HD PRO 51 2HD PRO 51 -2.692 -8.361 -8.361 332 H ALA 52 H ALA 52 -4.040 -9.378 -9.378 333 HA ALA 52 HA ALA 52 -5.821 -10.955 -10.955 334 1HB ALA 52 3HB ALA 52 -3.050 -10.099 -10.099 335 2HB ALA 52 1HB ALA 52 -3.851 -9.650 -9.650 336 3HB ALA 52 2HB ALA 52 -3.854 -11.345 -11.345 337 H GLU 53 H GLU 53 -5.673 -7.804 -7.804 338 HA GLU 53 HA GLU 53 -6.364 -5.828 -5.828 339 1HB GLU 53 1HB GLU 53 -8.632 -7.744 -7.744 340 2HB GLU 53 2HB GLU 53 -8.839 -6.033 -6.033 341 1HG GLU 53 1HG GLU 53 -8.054 -5.602 -5.602 342 2HG GLU 53 2HG GLU 53 -8.158 -7.331 -7.331 343 H ALA 54 H ALA 54 -4.514 -6.506 -6.506 344 HA ALA 54 HA ALA 54 -5.618 -6.581 -6.581 345 1HB ALA 54 3HB ALA 54 -2.979 -6.748 -6.748 346 2HB ALA 54 1HB ALA 54 -2.953 -5.927 -5.927 347 3HB ALA 54 2HB ALA 54 -3.589 -7.584 -7.584 348 H ILE 55 H ILE 55 -5.227 -4.172 -4.172 349 HA ILE 55 HA ILE 55 -4.667 -2.054 -2.054 350 HB ILE 55 HB ILE 55 -5.293 -1.909 -1.909 351 1HG1 ILE 55 1HG1 ILE 55 -2.681 -1.533 -1.533 352 2HG1 ILE 55 2HG1 ILE 55 -2.762 -2.527 -2.527 353 1HG2 ILE 55 1HG2 ILE 55 -5.138 0.107 0.107 354 2HG2 ILE 55 2HG2 ILE 55 -3.579 0.161 0.161 355 3HG2 ILE 55 3HG2 ILE 55 -5.102 0.297 0.297 356 1HD1 ILE 55 2HD1 ILE 55 -4.280 -3.441 -3.441 357 2HD1 ILE 55 3HD1 ILE 55 -2.506 -3.581 -3.581 358 3HD1 ILE 55 1HD1 ILE 55 -3.443 -4.403 -4.403 359 H VAL 56 H VAL 56 -6.274 -1.379 -1.379 360 HA VAL 56 HA VAL 56 -8.975 -1.322 -1.322 361 HB VAL 56 HB VAL 56 -9.663 -1.391 -1.391 362 1HG1 VAL 56 1HG1 VAL 56 -8.322 -3.764 -3.764 363 2HG1 VAL 56 2HG1 VAL 56 -9.347 -3.886 -3.886 364 3HG1 VAL 56 3HG1 VAL 56 -10.037 -3.294 -3.294 365 1HG2 VAL 56 1HG2 VAL 56 -7.477 -0.834 -0.834 366 2HG2 VAL 56 2HG2 VAL 56 -8.073 -2.402 -2.402 367 3HG2 VAL 56 3HG2 VAL 56 -6.799 -2.347 -2.347 368 H ARG 57 H ARG 57 -10.389 0.452 0.452 369 HA ARG 57 HA ARG 57 -8.823 2.854 2.854 370 1HB ARG 57 1HB ARG 57 -11.355 2.143 2.143 371 2HB ARG 57 2HB ARG 57 -11.749 3.108 3.108 372 1HG ARG 57 1HG ARG 57 -10.049 4.851 4.851 373 2HG ARG 57 2HG ARG 57 -10.116 3.940 3.940 374 1HD ARG 57 1HD ARG 57 -12.286 4.605 4.605 375 2HD ARG 57 2HD ARG 57 -12.772 4.620 4.620 376 HE ARG 57 HE ARG 57 -10.874 6.712 6.712 377 1HH1 ARG 57 2HH2 ARG 57 -14.161 5.899 5.899 378 2HH1 ARG 57 1HH2 ARG 57 -14.647 7.552 7.552 379 1HH2 ARG 57 2HH1 ARG 57 -11.517 8.852 8.852 380 2HH2 ARG 57 1HH1 ARG 57 -13.075 9.295 9.295 381 H SER 58 H SER 58 -8.445 1.228 1.228 382 HA SER 58 HA SER 58 -9.923 1.615 1.615 383 1HB SER 58 1HB SER 58 -7.181 1.050 1.050 384 2HB SER 58 2HB SER 58 -7.183 2.286 2.286 385 HG SER 58 HG SER 58 -8.297 -0.355 -0.355 Start of MODEL 3 1 HA PRO 1 HA PRO 1 -7.427 7.120 7.120 2 1HB PRO 1 1HB PRO 1 -4.697 7.015 7.015 3 2HB PRO 1 2HB PRO 1 -5.594 8.452 8.452 4 1HG PRO 1 1HG PRO 1 -4.134 6.565 6.565 5 2HG PRO 1 2HG PRO 1 -4.663 8.198 8.198 6 1HD PRO 1 1HD PRO 1 -5.885 5.767 5.767 7 2HD PRO 1 2HD PRO 1 -6.478 7.396 7.396 8 H ILE 2 H ILE 2 -4.614 5.153 5.153 9 HA ILE 2 HA ILE 2 -6.009 2.985 2.985 10 HB ILE 2 HB ILE 2 -4.254 2.695 2.695 11 1HG1 ILE 2 1HG1 ILE 2 -2.434 3.245 3.245 12 2HG1 ILE 2 2HG1 ILE 2 -2.156 3.786 3.786 13 1HG2 ILE 2 2HG2 ILE 2 -5.369 5.439 5.439 14 2HG2 ILE 2 3HG2 ILE 2 -4.054 5.203 5.203 15 3HG2 ILE 2 1HG2 ILE 2 -5.549 4.246 4.246 16 1HD1 ILE 2 3HD1 ILE 2 -3.509 5.925 5.925 17 2HD1 ILE 2 1HD1 ILE 2 -2.445 5.326 5.326 18 3HD1 ILE 2 2HD1 ILE 2 -1.753 5.822 5.822 19 H GLU 3 H GLU 3 -4.920 0.854 0.854 20 HA GLU 3 HA GLU 3 -3.024 0.776 0.776 21 1HB GLU 3 1HB GLU 3 -5.512 0.720 0.720 22 2HB GLU 3 2HB GLU 3 -5.507 -0.931 -0.931 23 1HG GLU 3 1HG GLU 3 -3.748 -1.586 -1.586 24 2HG GLU 3 2HG GLU 3 -3.262 0.070 0.070 25 H VAL 4 H VAL 4 -1.735 -1.126 -1.126 26 HA VAL 4 HA VAL 4 -2.255 -2.830 -2.830 27 HB VAL 4 HB VAL 4 -0.220 -1.546 -1.546 28 1HG1 VAL 4 2HG1 VAL 4 -0.058 -1.983 -1.983 29 2HG1 VAL 4 3HG1 VAL 4 1.388 -2.717 -2.717 30 3HG1 VAL 4 1HG1 VAL 4 1.013 -1.002 -1.002 31 1HG2 VAL 4 3HG2 VAL 4 -0.079 -4.508 -4.508 32 2HG2 VAL 4 1HG2 VAL 4 0.200 -3.515 -3.515 33 3HG2 VAL 4 2HG2 VAL 4 1.451 -3.619 -3.619 34 H ASN 5 H ASN 5 -1.983 -2.656 -2.656 35 HA ASN 5 HA ASN 5 -2.325 -4.123 -4.123 36 1HB ASN 5 1HB ASN 5 -3.204 -5.954 -5.954 37 2HB ASN 5 2HB ASN 5 -3.376 -6.381 -6.381 38 1HD2 ASN 5 1HD2 ASN 5 -5.580 -6.353 -6.353 39 2HD2 ASN 5 2HD2 ASN 5 -6.606 -5.003 -5.003 40 H ASP 6 H ASP 6 -1.811 -6.881 -6.881 41 HA ASP 6 HA ASP 6 0.992 -6.982 -6.982 42 1HB ASP 6 1HB ASP 6 0.369 -7.039 -7.039 43 2HB ASP 6 2HB ASP 6 -0.488 -8.540 -8.540 44 H ASP 7 H ASP 7 -2.078 -8.144 -8.144 45 HA ASP 7 HA ASP 7 -1.611 -10.870 -10.870 46 1HB ASP 7 1HB ASP 7 -3.627 -8.885 -8.885 47 2HB ASP 7 2HB ASP 7 -3.422 -10.145 -10.145 48 H CYS 8 H CYS 8 -1.143 -7.987 -7.987 49 HA CYS 8 HA CYS 8 -0.724 -9.128 -9.128 50 1HB CYS 8 1HB CYS 8 -0.665 -6.819 -6.819 51 2HB CYS 8 2HB CYS 8 0.399 -6.698 -6.698 52 H MET 9 H MET 9 1.440 -9.560 -9.560 53 HA MET 9 HA MET 9 3.106 -11.080 -11.080 54 1HB MET 9 1HB MET 9 2.261 -11.315 -11.315 55 2HB MET 9 2HB MET 9 3.905 -11.818 -11.818 56 1HG MET 9 1HG MET 9 1.995 -12.852 -12.852 57 2HG MET 9 2HG MET 9 1.592 -13.370 -13.370 58 1HE MET 9 3HE MET 9 3.906 -13.600 -13.600 59 2HE MET 9 1HE MET 9 4.849 -15.060 -15.060 60 3HE MET 9 2HE MET 9 3.080 -15.161 -15.161 61 H ALA 10 H ALA 10 3.765 -9.589 -9.589 62 HA ALA 10 HA ALA 10 5.277 -7.467 -7.467 63 1HB ALA 10 2HB ALA 10 6.583 -9.918 -9.918 64 2HB ALA 10 3HB ALA 10 7.528 -9.139 -9.139 65 3HB ALA 10 1HB ALA 10 7.148 -8.242 -8.242 66 H CYS 11 H CYS 11 3.521 -8.283 -8.283 67 HA CYS 11 HA CYS 11 4.894 -9.113 -9.113 68 1HB CYS 11 1HB CYS 11 2.214 -8.088 -8.088 69 2HB CYS 11 2HB CYS 11 2.744 -7.715 -7.715 70 H GLU 12 H GLU 12 4.184 -5.947 -5.947 71 HA GLU 12 HA GLU 12 4.892 -3.928 -3.928 72 1HB GLU 12 1HB GLU 12 7.156 -5.610 -5.610 73 2HB GLU 12 2HB GLU 12 7.210 -4.328 -4.328 74 1HG GLU 12 1HG GLU 12 6.708 -2.729 -2.729 75 2HG GLU 12 2HG GLU 12 7.217 -4.085 -4.085 76 H ALA 13 H ALA 13 3.254 -5.506 -5.506 77 HA ALA 13 HA ALA 13 3.944 -4.450 -4.450 78 1HB ALA 13 3HB ALA 13 1.772 -6.015 -6.015 79 2HB ALA 13 1HB ALA 13 1.243 -4.996 -4.996 80 3HB ALA 13 2HB ALA 13 2.539 -6.193 -6.193 81 H CYS 14 H CYS 14 1.600 -3.451 -3.451 82 HA CYS 14 HA CYS 14 0.552 -1.299 -1.299 83 1HB CYS 14 1HB CYS 14 0.766 -1.140 -1.140 84 2HB CYS 14 2HB CYS 14 -0.589 -0.777 -0.777 85 H VAL 15 H VAL 15 3.532 -1.798 -1.798 86 HA VAL 15 HA VAL 15 4.135 0.985 0.985 87 HB VAL 15 HB VAL 15 5.711 -1.553 -1.553 88 1HG1 VAL 15 3HG1 VAL 15 6.983 0.683 0.683 89 2HG1 VAL 15 1HG1 VAL 15 6.646 1.090 1.090 90 3HG1 VAL 15 2HG1 VAL 15 7.573 -0.377 -0.377 91 1HG2 VAL 15 3HG2 VAL 15 3.700 -0.744 -0.744 92 2HG2 VAL 15 1HG2 VAL 15 5.194 -1.369 -1.369 93 3HG2 VAL 15 2HG2 VAL 15 4.914 0.386 0.386 94 H GLU 16 H GLU 16 4.651 -1.623 -1.623 95 HA GLU 16 HA GLU 16 6.702 -0.203 -0.203 96 1HB GLU 16 1HB GLU 16 5.360 -2.823 -2.823 97 2HB GLU 16 2HB GLU 16 5.705 -2.130 -2.130 98 1HG GLU 16 1HG GLU 16 7.720 -3.229 -3.229 99 2HG GLU 16 2HG GLU 16 8.095 -1.630 -1.630 100 H ILE 17 H ILE 17 3.683 0.748 0.748 101 HA ILE 17 HA ILE 17 3.444 1.789 1.789 102 HB ILE 17 HB ILE 17 1.911 -0.103 -0.103 103 1HG1 ILE 17 1HG1 ILE 17 1.404 1.993 1.993 104 2HG1 ILE 17 2HG1 ILE 17 0.019 0.961 0.961 105 1HG2 ILE 17 2HG2 ILE 17 0.894 1.443 1.443 106 2HG2 ILE 17 3HG2 ILE 17 -0.095 0.231 0.231 107 3HG2 ILE 17 1HG2 ILE 17 1.440 -0.249 -0.249 108 1HD1 ILE 17 1HD1 ILE 17 0.428 2.870 2.870 109 2HD1 ILE 17 2HD1 ILE 17 0.460 3.744 3.744 110 3HD1 ILE 17 3HD1 ILE 17 -0.949 2.745 2.745 111 H CYS 18 H CYS 18 2.578 2.004 2.004 112 HA CYS 18 HA CYS 18 2.528 4.909 4.909 113 1HB CYS 18 1HB CYS 18 0.299 3.578 3.578 114 2HB CYS 18 2HB CYS 18 0.926 3.645 3.645 115 HA PRO 19 HA PRO 19 5.715 3.646 3.646 116 1HB PRO 19 1HB PRO 19 7.809 5.021 5.021 117 2HB PRO 19 2HB PRO 19 7.473 3.340 3.340 118 1HG PRO 19 1HG PRO 19 6.997 5.728 5.728 119 2HG PRO 19 2HG PRO 19 7.072 4.045 4.045 120 1HD PRO 19 1HD PRO 19 4.707 5.634 5.634 121 2HD PRO 19 2HD PRO 19 4.777 3.923 3.923 122 H ASP 20 H ASP 20 3.967 6.262 6.262 123 HA ASP 20 HA ASP 20 5.439 7.938 7.938 124 1HB ASP 20 1HB ASP 20 4.429 8.685 8.685 125 2HB ASP 20 2HB ASP 20 2.896 8.709 8.709 126 H VAL 21 H VAL 21 2.872 5.663 5.663 127 HA VAL 21 HA VAL 21 1.554 6.843 6.843 128 HB VAL 21 HB VAL 21 0.537 5.020 5.020 129 1HG1 VAL 21 2HG1 VAL 21 -0.225 4.467 4.467 130 2HG1 VAL 21 3HG1 VAL 21 -1.141 5.990 5.990 131 3HG1 VAL 21 1HG1 VAL 21 -1.470 4.678 4.678 132 1HG2 VAL 21 3HG2 VAL 21 -0.219 7.827 7.827 133 2HG2 VAL 21 1HG2 VAL 21 0.564 7.346 7.346 134 3HG2 VAL 21 2HG2 VAL 21 -1.117 6.863 6.863 135 H PHE 22 H PHE 22 3.357 4.141 4.141 136 HA PHE 22 HA PHE 22 3.359 2.935 2.935 137 1HB PHE 22 1HB PHE 22 3.172 1.383 1.383 138 2HB PHE 22 2HB PHE 22 2.969 0.729 0.729 139 HD1 PHE 22 2HD PHE 22 0.970 1.775 1.775 140 HD2 PHE 22 1HD PHE 22 1.285 1.869 1.869 141 HE1 PHE 22 2HE PHE 22 -1.512 2.109 2.109 142 HE2 PHE 22 1HE PHE 22 -1.197 2.202 2.202 143 HZ PHE 22 HZ PHE 22 -2.565 2.318 2.318 144 H GLU 23 H GLU 23 5.377 2.256 2.256 145 HA GLU 23 HA GLU 23 7.370 1.897 1.897 146 1HB GLU 23 1HB GLU 23 7.949 4.105 4.105 147 2HB GLU 23 2HB GLU 23 7.407 4.006 4.006 148 1HG GLU 23 1HG GLU 23 9.363 2.796 2.796 149 2HG GLU 23 2HG GLU 23 9.797 2.389 2.389 150 H MET 24 H MET 24 8.879 0.280 0.280 151 HA MET 24 HA MET 24 8.258 -1.686 -1.686 152 1HB MET 24 1HB MET 24 11.151 -0.766 -0.766 153 2HB MET 24 2HB MET 24 10.587 -2.415 -2.415 154 1HG MET 24 1HG MET 24 10.545 -2.500 -2.500 155 2HG MET 24 2HG MET 24 9.103 -1.508 -1.508 156 1HE MET 24 3HE MET 24 12.421 -2.051 -2.051 157 2HE MET 24 1HE MET 24 11.565 -1.394 -1.394 158 3HE MET 24 2HE MET 24 12.977 -0.537 -0.537 159 H ASN 25 H ASN 25 9.046 -2.465 -2.465 160 HA ASN 25 HA ASN 25 9.218 -0.254 -0.254 161 1HB ASN 25 1HB ASN 25 8.617 -1.838 -1.838 162 2HB ASN 25 2HB ASN 25 7.704 -2.346 -2.346 163 1HD2 ASN 25 1HD2 ASN 25 8.305 -4.012 -4.012 164 2HD2 ASN 25 2HD2 ASN 25 9.360 -5.286 -5.286 165 H GLU 26 H GLU 26 10.582 -2.087 -2.087 166 HA GLU 26 HA GLU 26 13.095 -1.210 -1.210 167 1HB GLU 26 1HB GLU 26 11.712 -2.860 -2.860 168 2HB GLU 26 2HB GLU 26 12.832 -4.016 -4.016 169 1HG GLU 26 1HG GLU 26 14.676 -2.215 -2.215 170 2HG GLU 26 2HG GLU 26 13.471 -1.483 -1.483 171 H GLU 27 H GLU 27 11.701 -4.021 -4.021 172 HA GLU 27 HA GLU 27 13.962 -3.984 -3.984 173 1HB GLU 27 1HB GLU 27 13.325 -6.699 -6.699 174 2HB GLU 27 2HB GLU 27 14.802 -6.140 -6.140 175 1HG GLU 27 1HG GLU 27 15.342 -4.748 -4.748 176 2HG GLU 27 2HG GLU 27 13.807 -5.144 -5.144 177 H GLY 28 H GLY 28 11.084 -3.373 -3.373 178 1HA GLY 28 1HA GLY 28 9.431 -3.646 -3.646 179 2HA GLY 28 2HA GLY 28 10.449 -4.771 -4.771 180 H ASP 29 H ASP 29 10.172 -5.635 -5.635 181 HA ASP 29 HA ASP 29 9.003 -8.044 -8.044 182 1HB ASP 29 1HB ASP 29 10.113 -6.794 -6.794 183 2HB ASP 29 2HB ASP 29 8.434 -6.912 -6.912 184 H LYS 30 H LYS 30 7.631 -4.858 -4.858 185 HA LYS 30 HA LYS 30 5.032 -5.803 -5.803 186 1HB LYS 30 1HB LYS 30 3.863 -5.051 -5.051 187 2HB LYS 30 2HB LYS 30 5.015 -6.307 -6.307 188 1HG LYS 30 1HG LYS 30 6.674 -4.444 -4.444 189 2HG LYS 30 2HG LYS 30 5.358 -3.303 -3.303 190 1HD LYS 30 1HD LYS 30 4.074 -4.344 -4.344 191 2HD LYS 30 2HD LYS 30 5.165 -5.714 -5.714 192 1HE LYS 30 1HE LYS 30 6.936 -4.408 -4.408 193 2HE LYS 30 2HE LYS 30 6.142 -2.877 -2.877 194 1HZ LYS 30 1HZ LYS 30 5.275 -4.843 -4.843 195 2HZ LYS 30 2HZ LYS 30 5.798 -3.325 -3.325 196 H ALA 31 H ALA 31 4.647 -4.405 -4.405 197 HA ALA 31 HA ALA 31 5.863 -1.998 -1.998 198 1HB ALA 31 1HB ALA 31 3.263 -3.236 -3.236 199 2HB ALA 31 2HB ALA 31 3.611 -1.545 -1.545 200 3HB ALA 31 3HB ALA 31 4.711 -2.844 -2.844 201 H VAL 32 H VAL 32 6.040 -0.421 -0.421 202 HA VAL 32 HA VAL 32 3.888 0.089 0.089 203 HB VAL 32 HB VAL 32 6.459 1.591 1.591 204 1HG1 VAL 32 1HG1 VAL 32 4.413 1.744 1.744 205 2HG1 VAL 32 2HG1 VAL 32 6.087 2.315 2.315 206 3HG1 VAL 32 3HG1 VAL 32 5.036 3.055 3.055 207 1HG2 VAL 32 2HG2 VAL 32 5.807 -0.823 -0.823 208 2HG2 VAL 32 3HG2 VAL 32 7.243 -0.474 -0.474 209 3HG2 VAL 32 1HG2 VAL 32 7.034 0.327 0.327 210 H VAL 33 H VAL 33 3.181 2.508 2.508 211 HA VAL 33 HA VAL 33 2.394 3.434 3.434 212 HB VAL 33 HB VAL 33 1.145 3.906 3.906 213 1HG1 VAL 33 1HG1 VAL 33 0.935 5.616 5.616 214 2HG1 VAL 33 2HG1 VAL 33 -0.307 4.447 4.447 215 3HG1 VAL 33 3HG1 VAL 33 -0.434 5.247 5.247 216 1HG2 VAL 33 2HG2 VAL 33 1.034 1.546 1.546 217 2HG2 VAL 33 3HG2 VAL 33 -0.507 2.316 2.316 218 3HG2 VAL 33 1HG2 VAL 33 -0.008 2.258 2.258 219 H ILE 34 H ILE 34 2.721 5.596 5.596 220 HA ILE 34 HA ILE 34 4.391 7.127 7.127 221 HB ILE 34 HB ILE 34 4.881 7.971 7.971 222 1HG1 ILE 34 1HG1 ILE 34 5.241 4.974 4.974 223 2HG1 ILE 34 2HG1 ILE 34 3.940 5.752 5.752 224 1HG2 ILE 34 2HG2 ILE 34 6.358 6.827 6.827 225 2HG2 ILE 34 3HG2 ILE 34 7.141 6.669 6.669 226 3HG2 ILE 34 1HG2 ILE 34 6.684 8.277 8.277 227 1HD1 ILE 34 3HD1 ILE 34 5.805 6.994 6.994 228 2HD1 ILE 34 1HD1 ILE 34 6.950 5.900 5.900 229 3HD1 ILE 34 2HD1 ILE 34 5.714 5.240 5.240 230 H ASN 35 H ASN 35 1.679 7.015 7.015 231 HA ASN 35 HA ASN 35 1.161 9.803 9.803 232 1HB ASN 35 1HB ASN 35 1.463 9.025 9.025 233 2HB ASN 35 2HB ASN 35 -0.120 8.293 8.293 234 1HD2 ASN 35 1HD2 ASN 35 0.706 10.448 10.448 235 2HD2 ASN 35 2HD2 ASN 35 -0.258 11.837 11.837 236 HA PRO 36 HA PRO 36 -2.080 7.309 7.309 237 1HB PRO 36 1HB PRO 36 -2.145 8.655 8.655 238 2HB PRO 36 2HB PRO 36 -1.153 7.237 7.237 239 1HG PRO 36 1HG PRO 36 -0.331 10.073 10.073 240 2HG PRO 36 2HG PRO 36 0.657 8.634 8.634 241 1HD PRO 36 1HD PRO 36 0.479 10.350 10.350 242 2HD PRO 36 2HD PRO 36 1.376 8.850 8.850 243 H ASP 37 H ASP 37 -2.419 9.308 9.308 244 HA ASP 37 HA ASP 37 -5.055 9.903 9.903 245 1HB ASP 37 1HB ASP 37 -4.215 11.545 11.545 246 2HB ASP 37 2HB ASP 37 -3.117 12.219 12.219 247 H SER 38 H SER 38 -3.419 8.836 8.836 248 HA SER 38 HA SER 38 -2.985 10.923 10.923 249 1HB SER 38 1HB SER 38 -1.868 8.433 8.433 250 2HB SER 38 2HB SER 38 -2.946 8.096 8.096 251 HG SER 38 HG SER 38 -1.270 10.419 10.419 252 H ASP 39 H ASP 39 -4.710 7.750 7.750 253 HA ASP 39 HA ASP 39 -6.411 7.239 7.239 254 1HB ASP 39 1HB ASP 39 -7.290 8.529 8.529 255 2HB ASP 39 2HB ASP 39 -7.983 9.592 9.592 256 H LEU 40 H LEU 40 -4.647 8.777 8.777 257 HA LEU 40 HA LEU 40 -6.382 10.703 10.703 258 1HB LEU 40 1HB LEU 40 -4.384 11.772 11.772 259 2HB LEU 40 2HB LEU 40 -4.369 11.668 11.668 260 HG LEU 40 HG LEU 40 -2.994 9.388 9.388 261 1HD1 LEU 40 2HD1 LEU 40 -3.042 10.968 10.968 262 2HD1 LEU 40 3HD1 LEU 40 -1.420 11.180 11.180 263 3HD1 LEU 40 1HD1 LEU 40 -2.025 9.547 9.547 264 1HD2 LEU 40 3HD2 LEU 40 -2.482 11.066 11.066 265 2HD2 LEU 40 1HD2 LEU 40 -1.061 10.481 10.481 266 3HD2 LEU 40 2HD2 LEU 40 -1.736 12.089 12.089 267 H ASP 41 H ASP 41 -6.939 8.012 8.012 268 HA ASP 41 HA ASP 41 -7.427 6.797 6.797 269 1HB ASP 41 1HB ASP 41 -6.844 8.962 8.962 270 2HB ASP 41 2HB ASP 41 -5.307 8.180 8.180 271 H CYS 42 H CYS 42 -3.916 7.765 7.765 272 HA CYS 42 HA CYS 42 -2.721 5.577 5.577 273 1HB CYS 42 1HB CYS 42 -1.631 7.652 7.652 274 2HB CYS 42 2HB CYS 42 -1.808 7.022 7.022 275 H VAL 43 H VAL 43 -4.511 5.942 5.942 276 HA VAL 43 HA VAL 43 -3.551 3.494 3.494 277 HB VAL 43 HB VAL 43 -5.545 5.606 5.606 278 1HG1 VAL 43 2HG1 VAL 43 -6.805 3.524 3.524 279 2HG1 VAL 43 3HG1 VAL 43 -5.479 2.884 2.884 280 3HG1 VAL 43 1HG1 VAL 43 -6.403 4.304 4.304 281 1HG2 VAL 43 3HG2 VAL 43 -3.035 4.450 4.450 282 2HG2 VAL 43 1HG2 VAL 43 -3.553 6.147 6.147 283 3HG2 VAL 43 2HG2 VAL 43 -4.228 5.120 5.120 284 H GLU 44 H GLU 44 -6.535 4.621 4.621 285 HA GLU 44 HA GLU 44 -7.936 2.276 2.276 286 1HB GLU 44 1HB GLU 44 -8.015 4.682 4.682 287 2HB GLU 44 2HB GLU 44 -8.742 3.261 3.261 288 1HG GLU 44 1HG GLU 44 -10.043 2.954 2.954 289 2HG GLU 44 2HG GLU 44 -9.464 4.539 4.539 290 H GLU 45 H GLU 45 -5.282 3.201 3.201 291 HA GLU 45 HA GLU 45 -5.701 0.839 0.839 292 1HB GLU 45 1HB GLU 45 -3.685 1.715 1.715 293 2HB GLU 45 2HB GLU 45 -5.059 2.802 2.802 294 1HG GLU 45 1HG GLU 45 -4.049 4.174 4.174 295 2HG GLU 45 2HG GLU 45 -2.790 2.992 2.992 296 H ALA 46 H ALA 46 -4.353 1.520 1.520 297 HA ALA 46 HA ALA 46 -2.132 -0.354 -0.354 298 1HB ALA 46 2HB ALA 46 -2.669 2.010 2.010 299 2HB ALA 46 3HB ALA 46 -2.098 0.629 0.629 300 3HB ALA 46 1HB ALA 46 -1.121 1.226 1.226 301 H ILE 47 H ILE 47 -5.419 -0.116 -0.116 302 HA ILE 47 HA ILE 47 -5.112 -2.415 -2.415 303 HB ILE 47 HB ILE 47 -7.205 -0.305 -0.305 304 1HG1 ILE 47 1HG1 ILE 47 -6.370 -1.261 -1.261 305 2HG1 ILE 47 2HG1 ILE 47 -5.105 -0.473 -0.473 306 1HG2 ILE 47 3HG2 ILE 47 -7.610 -3.102 -3.102 307 2HG2 ILE 47 1HG2 ILE 47 -8.472 -1.763 -1.763 308 3HG2 ILE 47 2HG2 ILE 47 -8.692 -2.052 -2.052 309 1HD1 ILE 47 1HD1 ILE 47 -6.627 1.474 1.474 310 2HD1 ILE 47 2HD1 ILE 47 -7.867 0.652 0.652 311 3HD1 ILE 47 3HD1 ILE 47 -6.330 1.151 1.151 312 H ASP 48 H ASP 48 -6.541 -1.295 -1.295 313 HA ASP 48 HA ASP 48 -8.124 -3.529 -3.529 314 1HB ASP 48 1HB ASP 48 -7.557 -1.138 -1.138 315 2HB ASP 48 2HB ASP 48 -6.885 -2.334 -2.334 316 H SER 49 H SER 49 -4.674 -2.990 -2.990 317 HA SER 49 HA SER 49 -4.265 -5.296 -5.296 318 1HB SER 49 1HB SER 49 -2.285 -3.257 -3.257 319 2HB SER 49 2HB SER 49 -1.858 -4.579 -4.579 320 HG SER 49 HG SER 49 -3.790 -3.461 -3.461 321 H CYS 50 H CYS 50 -4.863 -4.667 -4.667 322 HA CYS 50 HA CYS 50 -2.803 -6.375 -6.375 323 1HB CYS 50 1HB CYS 50 -3.457 -4.396 -4.396 324 2HB CYS 50 2HB CYS 50 -5.123 -4.936 -4.936 325 HA PRO 51 HA PRO 51 -5.579 -9.739 -9.739 326 1HB PRO 51 1HB PRO 51 -3.783 -11.750 -11.750 327 2HB PRO 51 2HB PRO 51 -3.988 -10.976 -10.976 328 1HG PRO 51 1HG PRO 51 -1.805 -10.639 -10.639 329 2HG PRO 51 2HG PRO 51 -1.824 -10.222 -10.222 330 1HD PRO 51 1HD PRO 51 -2.085 -8.415 -8.415 331 2HD PRO 51 2HD PRO 51 -2.220 -8.016 -8.016 332 H ALA 52 H ALA 52 -3.563 -9.324 -9.324 333 HA ALA 52 HA ALA 52 -5.222 -11.136 -11.136 334 1HB ALA 52 2HB ALA 52 -2.653 -10.772 -10.772 335 2HB ALA 52 3HB ALA 52 -3.074 -9.299 -9.299 336 3HB ALA 52 1HB ALA 52 -3.591 -10.893 -10.893 337 H GLU 53 H GLU 53 -5.471 -7.967 -7.967 338 HA GLU 53 HA GLU 53 -6.435 -6.122 -6.122 339 1HB GLU 53 1HB GLU 53 -8.287 -7.717 -7.717 340 2HB GLU 53 2HB GLU 53 -8.573 -8.069 -8.069 341 1HG GLU 53 1HG GLU 53 -9.603 -6.054 -6.054 342 2HG GLU 53 2HG GLU 53 -8.452 -5.164 -5.164 343 H ALA 54 H ALA 54 -4.529 -7.003 -7.003 344 HA ALA 54 HA ALA 54 -5.738 -6.998 -6.998 345 1HB ALA 54 2HB ALA 54 -3.200 -7.585 -7.585 346 2HB ALA 54 3HB ALA 54 -2.943 -6.352 -6.352 347 3HB ALA 54 1HB ALA 54 -3.735 -7.891 -7.891 348 H ILE 55 H ILE 55 -5.181 -4.617 -4.617 349 HA ILE 55 HA ILE 55 -4.564 -2.515 -2.515 350 HB ILE 55 HB ILE 55 -4.992 -2.612 -2.612 351 1HG1 ILE 55 1HG1 ILE 55 -2.676 -2.732 -2.732 352 2HG1 ILE 55 2HG1 ILE 55 -2.854 -3.283 -3.283 353 1HG2 ILE 55 1HG2 ILE 55 -5.909 -0.504 -0.504 354 2HG2 ILE 55 2HG2 ILE 55 -4.384 -0.177 -0.177 355 3HG2 ILE 55 3HG2 ILE 55 -4.409 -0.243 -0.243 356 1HD1 ILE 55 1HD1 ILE 55 -2.462 -0.396 -0.396 357 2HD1 ILE 55 2HD1 ILE 55 -1.189 -1.446 -1.446 358 3HD1 ILE 55 3HD1 ILE 55 -2.560 -0.952 -0.952 359 H VAL 56 H VAL 56 -6.076 -1.481 -1.481 360 HA VAL 56 HA VAL 56 -8.772 -1.332 -1.332 361 HB VAL 56 HB VAL 56 -9.328 -1.414 -1.414 362 1HG1 VAL 56 2HG1 VAL 56 -9.229 -3.447 -3.447 363 2HG1 VAL 56 3HG1 VAL 56 -9.433 -4.074 -4.074 364 3HG1 VAL 56 1HG1 VAL 56 -10.593 -2.895 -2.895 365 1HG2 VAL 56 1HG2 VAL 56 -6.755 -1.861 -1.861 366 2HG2 VAL 56 2HG2 VAL 56 -7.954 -2.745 -2.745 367 3HG2 VAL 56 3HG2 VAL 56 -7.198 -3.530 -3.530 368 H ARG 57 H ARG 57 -10.072 0.493 0.493 369 HA ARG 57 HA ARG 57 -8.268 2.724 2.724 370 1HB ARG 57 1HB ARG 57 -10.424 4.077 4.077 371 2HB ARG 57 2HB ARG 57 -9.962 3.073 3.073 372 1HG ARG 57 1HG ARG 57 -11.762 1.654 1.654 373 2HG ARG 57 2HG ARG 57 -11.697 1.709 1.709 374 1HD ARG 57 1HD ARG 57 -13.618 2.960 2.960 375 2HD ARG 57 2HD ARG 57 -12.478 4.275 4.275 376 HE ARG 57 HE ARG 57 -13.000 4.355 4.355 377 1HH1 ARG 57 2HH2 ARG 57 -14.319 1.381 1.381 378 2HH1 ARG 57 1HH2 ARG 57 -15.242 0.977 0.977 379 1HH2 ARG 57 2HH1 ARG 57 -14.201 3.821 3.821 380 2HH2 ARG 57 1HH1 ARG 57 -15.167 2.428 2.428 381 H SER 58 H SER 58 -8.169 1.210 1.210 382 HA SER 58 HA SER 58 -9.994 1.307 1.307 383 1HB SER 58 1HB SER 58 -7.480 0.564 0.564 384 2HB SER 58 2HB SER 58 -7.162 2.177 2.177 385 HG SER 58 HG SER 58 -9.211 0.590 0.590 Start of MODEL 4 1 HA PRO 1 HA PRO 1 -7.345 4.109 4.109 2 1HB PRO 1 1HB PRO 1 -6.399 6.253 6.253 3 2HB PRO 1 2HB PRO 1 -7.260 6.408 6.408 4 1HG PRO 1 1HG PRO 1 -4.368 6.705 6.705 5 2HG PRO 1 2HG PRO 1 -5.295 7.259 7.259 6 1HD PRO 1 1HD PRO 1 -3.561 4.976 4.976 7 2HD PRO 1 2HD PRO 1 -4.578 5.464 5.464 8 H ILE 2 H ILE 2 -4.942 5.345 5.345 9 HA ILE 2 HA ILE 2 -5.614 3.244 3.244 10 HB ILE 2 HB ILE 2 -4.070 5.802 5.802 11 1HG1 ILE 2 1HG1 ILE 2 -5.649 5.852 5.852 12 2HG1 ILE 2 2HG1 ILE 2 -6.567 4.671 4.671 13 1HG2 ILE 2 3HG2 ILE 2 -3.618 3.420 3.420 14 2HG2 ILE 2 1HG2 ILE 2 -3.779 4.989 4.989 15 3HG2 ILE 2 2HG2 ILE 2 -2.531 4.766 4.766 16 1HD1 ILE 2 3HD1 ILE 2 -5.615 7.078 7.078 17 2HD1 ILE 2 1HD1 ILE 2 -6.813 7.395 7.395 18 3HD1 ILE 2 2HD1 ILE 2 -7.199 6.268 6.268 19 H GLU 3 H GLU 3 -4.801 1.503 1.503 20 HA GLU 3 HA GLU 3 -1.973 1.136 1.136 21 1HB GLU 3 1HB GLU 3 -3.188 0.330 0.330 22 2HB GLU 3 2HB GLU 3 -1.492 0.383 0.383 23 1HG GLU 3 1HG GLU 3 -2.017 2.969 2.969 24 2HG GLU 3 2HG GLU 3 -3.363 2.673 2.673 25 H VAL 4 H VAL 4 -1.961 -1.425 -1.425 26 HA VAL 4 HA VAL 4 -3.851 -2.966 -2.966 27 HB VAL 4 HB VAL 4 -1.868 -4.684 -4.684 28 1HG1 VAL 4 3HG1 VAL 4 -2.423 -2.408 -2.408 29 2HG1 VAL 4 1HG1 VAL 4 -0.951 -3.371 -3.371 30 3HG1 VAL 4 2HG1 VAL 4 -2.545 -4.164 -4.164 31 1HG2 VAL 4 3HG2 VAL 4 -0.553 -2.877 -2.877 32 2HG2 VAL 4 1HG2 VAL 4 0.286 -3.887 -3.887 33 3HG2 VAL 4 2HG2 VAL 4 -0.173 -2.217 -2.217 34 H ASN 5 H ASN 5 -1.487 -4.620 -4.620 35 HA ASN 5 HA ASN 5 -2.696 -4.468 -4.468 36 1HB ASN 5 1HB ASN 5 -3.594 -7.049 -7.049 37 2HB ASN 5 2HB ASN 5 -4.638 -5.649 -5.649 38 1HD2 ASN 5 1HD2 ASN 5 -5.996 -6.866 -6.866 39 2HD2 ASN 5 2HD2 ASN 5 -5.643 -7.109 -7.109 40 H ASP 6 H ASP 6 -2.272 -7.061 -7.061 41 HA ASP 6 HA ASP 6 0.550 -7.334 -7.334 42 1HB ASP 6 1HB ASP 6 -0.216 -7.206 -7.206 43 2HB ASP 6 2HB ASP 6 -1.323 -8.541 -8.541 44 H ASP 7 H ASP 7 -2.192 -8.469 -8.469 45 HA ASP 7 HA ASP 7 -1.508 -11.259 -11.259 46 1HB ASP 7 1HB ASP 7 -3.870 -9.734 -9.734 47 2HB ASP 7 2HB ASP 7 -3.518 -10.445 -10.445 48 H CYS 8 H CYS 8 -1.611 -8.374 -8.374 49 HA CYS 8 HA CYS 8 -1.127 -9.452 -9.452 50 1HB CYS 8 1HB CYS 8 -1.199 -7.239 -7.239 51 2HB CYS 8 2HB CYS 8 -0.638 -6.873 -6.873 52 H MET 9 H MET 9 1.020 -9.589 -9.589 53 HA MET 9 HA MET 9 2.987 -10.812 -10.812 54 1HB MET 9 1HB MET 9 2.119 -12.366 -12.366 55 2HB MET 9 2HB MET 9 2.275 -11.179 -11.179 56 1HG MET 9 1HG MET 9 4.875 -11.504 -11.504 57 2HG MET 9 2HG MET 9 4.231 -13.103 -13.103 58 1HE MET 9 2HE MET 9 2.804 -13.504 -13.504 59 2HE MET 9 3HE MET 9 2.509 -12.305 -12.305 60 3HE MET 9 1HE MET 9 3.729 -13.579 -13.579 61 H ALA 10 H ALA 10 3.411 -9.675 -9.675 62 HA ALA 10 HA ALA 10 4.499 -7.234 -7.234 63 1HB ALA 10 1HB ALA 10 6.282 -9.347 -9.347 64 2HB ALA 10 2HB ALA 10 7.057 -8.232 -8.232 65 3HB ALA 10 3HB ALA 10 6.270 -7.594 -7.594 66 H CYS 11 H CYS 11 3.091 -8.047 -8.047 67 HA CYS 11 HA CYS 11 4.523 -9.415 -9.415 68 1HB CYS 11 1HB CYS 11 1.942 -9.061 -9.061 69 2HB CYS 11 2HB CYS 11 2.191 -7.638 -7.638 70 H GLU 12 H GLU 12 4.138 -6.054 -6.054 71 HA GLU 12 HA GLU 12 5.247 -4.248 -4.248 72 1HB GLU 12 1HB GLU 12 7.242 -5.767 -5.767 73 2HB GLU 12 2HB GLU 12 6.848 -5.864 -5.864 74 1HG GLU 12 1HG GLU 12 7.869 -3.881 -3.881 75 2HG GLU 12 2HG GLU 12 6.861 -3.073 -3.073 76 H ALA 13 H ALA 13 2.992 -5.682 -5.682 77 HA ALA 13 HA ALA 13 3.225 -4.484 -4.484 78 1HB ALA 13 1HB ALA 13 1.472 -6.281 -6.281 79 2HB ALA 13 2HB ALA 13 0.503 -5.023 -5.023 80 3HB ALA 13 3HB ALA 13 1.625 -6.026 -6.026 81 H CYS 14 H CYS 14 1.388 -3.684 -3.684 82 HA CYS 14 HA CYS 14 0.104 -1.457 -1.457 83 1HB CYS 14 1HB CYS 14 -0.043 -0.745 -0.745 84 2HB CYS 14 2HB CYS 14 -0.565 -2.392 -2.392 85 H VAL 15 H VAL 15 3.388 -1.910 -1.910 86 HA VAL 15 HA VAL 15 4.012 0.859 0.859 87 HB VAL 15 HB VAL 15 5.625 -1.675 -1.675 88 1HG1 VAL 15 1HG1 VAL 15 6.966 0.190 0.190 89 2HG1 VAL 15 2HG1 VAL 15 6.657 1.145 1.145 90 3HG1 VAL 15 3HG1 VAL 15 7.569 -0.379 -0.379 91 1HG2 VAL 15 1HG2 VAL 15 4.209 0.155 0.155 92 2HG2 VAL 15 2HG2 VAL 15 4.676 -1.549 -1.549 93 3HG2 VAL 15 3HG2 VAL 15 5.865 -0.258 -0.258 94 H GLU 16 H GLU 16 4.171 -1.822 -1.822 95 HA GLU 16 HA GLU 16 5.883 -0.324 -0.324 96 1HB GLU 16 1HB GLU 16 4.593 -3.056 -3.056 97 2HB GLU 16 2HB GLU 16 5.214 -2.372 -2.372 98 1HG GLU 16 1HG GLU 16 7.085 -2.107 -2.107 99 2HG GLU 16 2HG GLU 16 6.719 -3.771 -3.771 100 H ILE 17 H ILE 17 3.569 1.153 1.153 101 HA ILE 17 HA ILE 17 2.612 1.728 1.728 102 HB ILE 17 HB ILE 17 1.352 -0.448 -0.448 103 1HG1 ILE 17 1HG1 ILE 17 1.013 0.455 0.455 104 2HG1 ILE 17 2HG1 ILE 17 -0.589 0.279 0.279 105 1HG2 ILE 17 2HG2 ILE 17 0.586 0.776 0.776 106 2HG2 ILE 17 3HG2 ILE 17 -0.472 1.740 1.740 107 3HG2 ILE 17 1HG2 ILE 17 -0.691 -0.023 -0.023 108 1HD1 ILE 17 3HD1 ILE 17 -0.035 2.816 2.816 109 2HD1 ILE 17 1HD1 ILE 17 0.977 2.736 2.736 110 3HD1 ILE 17 2HD1 ILE 17 -0.772 2.431 2.431 111 H CYS 18 H CYS 18 2.143 1.862 1.862 112 HA CYS 18 HA CYS 18 1.770 4.743 4.743 113 1HB CYS 18 1HB CYS 18 -0.351 3.269 3.269 114 2HB CYS 18 2HB CYS 18 0.319 3.318 3.318 115 HA PRO 19 HA PRO 19 5.092 3.561 3.561 116 1HB PRO 19 1HB PRO 19 7.167 4.854 4.854 117 2HB PRO 19 2HB PRO 19 6.809 3.158 3.158 118 1HG PRO 19 1HG PRO 19 6.308 5.453 5.453 119 2HG PRO 19 2HG PRO 19 6.357 3.746 3.746 120 1HD PRO 19 1HD PRO 19 4.012 5.372 5.372 121 2HD PRO 19 2HD PRO 19 4.060 3.642 3.642 122 H ASP 20 H ASP 20 3.370 6.170 6.170 123 HA ASP 20 HA ASP 20 4.901 7.938 7.938 124 1HB ASP 20 1HB ASP 20 3.142 8.253 8.253 125 2HB ASP 20 2HB ASP 20 2.425 9.109 9.109 126 H VAL 21 H VAL 21 2.640 5.515 5.515 127 HA VAL 21 HA VAL 21 1.345 6.875 6.875 128 HB VAL 21 HB VAL 21 0.136 4.800 4.800 129 1HG1 VAL 21 2HG1 VAL 21 -0.748 6.087 6.087 130 2HG1 VAL 21 3HG1 VAL 21 -1.974 5.795 5.795 131 3HG1 VAL 21 1HG1 VAL 21 -1.024 4.437 4.437 132 1HG2 VAL 21 3HG2 VAL 21 0.408 6.968 6.968 133 2HG2 VAL 21 1HG2 VAL 21 -1.307 6.603 6.603 134 3HG2 VAL 21 2HG2 VAL 21 -0.447 7.773 7.773 135 H PHE 22 H PHE 22 2.694 3.881 3.881 136 HA PHE 22 HA PHE 22 3.068 2.906 2.906 137 1HB PHE 22 1HB PHE 22 2.540 1.192 1.192 138 2HB PHE 22 2HB PHE 22 2.456 0.672 0.672 139 HD1 PHE 22 2HD PHE 22 0.613 1.752 1.752 140 HD2 PHE 22 1HD PHE 22 0.604 1.866 1.866 141 HE1 PHE 22 2HE PHE 22 -1.854 2.210 2.210 142 HE2 PHE 22 1HE PHE 22 -1.863 2.324 2.324 143 HZ PHE 22 HZ PHE 22 -3.063 2.490 2.490 144 H GLU 23 H GLU 23 5.194 2.606 2.606 145 HA GLU 23 HA GLU 23 6.909 1.931 1.931 146 1HB GLU 23 1HB GLU 23 7.712 4.061 4.061 147 2HB GLU 23 2HB GLU 23 7.147 4.140 4.140 148 1HG GLU 23 1HG GLU 23 9.013 2.749 2.749 149 2HG GLU 23 2HG GLU 23 9.520 2.431 2.431 150 H MET 24 H MET 24 8.598 0.417 0.417 151 HA MET 24 HA MET 24 8.098 -1.608 -1.608 152 1HB MET 24 1HB MET 24 10.867 -0.436 -0.436 153 2HB MET 24 2HB MET 24 10.583 -2.089 -2.089 154 1HG MET 24 1HG MET 24 9.779 -2.734 -2.734 155 2HG MET 24 2HG MET 24 8.953 -1.214 -1.214 156 1HE MET 24 2HE MET 24 11.581 -3.456 -3.456 157 2HE MET 24 3HE MET 24 11.468 -2.921 -2.921 158 3HE MET 24 1HE MET 24 12.961 -2.635 -2.635 159 H ASN 25 H ASN 25 9.298 -2.420 -2.420 160 HA ASN 25 HA ASN 25 9.024 -0.386 -0.386 161 1HB ASN 25 1HB ASN 25 8.312 -2.905 -2.905 162 2HB ASN 25 2HB ASN 25 10.006 -3.242 -3.242 163 1HD2 ASN 25 1HD2 ASN 25 10.464 -3.483 -3.483 164 2HD2 ASN 25 2HD2 ASN 25 9.791 -2.624 -2.624 165 H GLU 26 H GLU 26 11.081 -1.865 -1.865 166 HA GLU 26 HA GLU 26 13.250 -0.211 -0.211 167 1HB GLU 26 1HB GLU 26 12.376 -1.616 -1.616 168 2HB GLU 26 2HB GLU 26 13.769 -2.569 -2.569 169 1HG GLU 26 1HG GLU 26 15.209 -0.559 -0.559 170 2HG GLU 26 2HG GLU 26 13.827 0.462 0.462 171 H GLU 27 H GLU 27 12.281 -3.382 -3.382 172 HA GLU 27 HA GLU 27 14.646 -3.477 -3.477 173 1HB GLU 27 1HB GLU 27 14.046 -6.049 -6.049 174 2HB GLU 27 2HB GLU 27 15.564 -5.471 -5.471 175 1HG GLU 27 1HG GLU 27 15.741 -3.795 -3.795 176 2HG GLU 27 2HG GLU 27 14.195 -4.314 -4.314 177 H GLY 28 H GLY 28 11.567 -3.211 -3.211 178 1HA GLY 28 1HA GLY 28 10.057 -3.721 -3.721 179 2HA GLY 28 2HA GLY 28 11.191 -4.850 -4.850 180 H ASP 29 H ASP 29 10.816 -5.321 -5.321 181 HA ASP 29 HA ASP 29 9.831 -7.874 -7.874 182 1HB ASP 29 1HB ASP 29 10.918 -6.428 -6.428 183 2HB ASP 29 2HB ASP 29 9.244 -6.482 -6.482 184 H LYS 30 H LYS 30 8.288 -4.780 -4.780 185 HA LYS 30 HA LYS 30 5.740 -5.919 -5.919 186 1HB LYS 30 1HB LYS 30 6.203 -5.807 -5.807 187 2HB LYS 30 2HB LYS 30 5.664 -4.156 -4.156 188 1HG LYS 30 1HG LYS 30 3.501 -4.782 -4.782 189 2HG LYS 30 2HG LYS 30 4.003 -6.201 -6.201 190 1HD LYS 30 1HD LYS 30 4.717 -7.113 -7.113 191 2HD LYS 30 2HD LYS 30 3.610 -5.890 -5.890 192 1HE LYS 30 1HE LYS 30 1.775 -7.082 -7.082 193 2HE LYS 30 2HE LYS 30 2.472 -7.464 -7.464 194 1HZ LYS 30 1HZ LYS 30 3.900 -8.918 -8.918 195 2HZ LYS 30 2HZ LYS 30 2.347 -9.068 -9.068 196 H ALA 31 H ALA 31 4.112 -4.181 -4.181 197 HA ALA 31 HA ALA 31 5.532 -2.002 -2.002 198 1HB ALA 31 3HB ALA 31 3.180 -3.611 -3.611 199 2HB ALA 31 1HB ALA 31 2.742 -1.887 -1.887 200 3HB ALA 31 2HB ALA 31 4.021 -2.481 -2.481 201 H VAL 32 H VAL 32 5.975 -0.308 -0.308 202 HA VAL 32 HA VAL 32 4.198 0.323 0.323 203 HB VAL 32 HB VAL 32 6.684 1.639 1.639 204 1HG1 VAL 32 3HG1 VAL 32 5.247 3.292 3.292 205 2HG1 VAL 32 1HG1 VAL 32 5.198 2.254 2.254 206 3HG1 VAL 32 2HG1 VAL 32 6.738 2.974 2.974 207 1HG2 VAL 32 3HG2 VAL 32 7.050 -0.591 -0.591 208 2HG2 VAL 32 1HG2 VAL 32 7.784 0.681 0.681 209 3HG2 VAL 32 2HG2 VAL 32 6.252 -0.073 -0.073 210 H VAL 33 H VAL 33 3.111 2.413 2.413 211 HA VAL 33 HA VAL 33 2.182 3.401 3.401 212 HB VAL 33 HB VAL 33 0.977 3.420 3.420 213 1HG1 VAL 33 1HG1 VAL 33 0.551 5.546 5.546 214 2HG1 VAL 33 2HG1 VAL 33 -0.299 4.543 4.543 215 3HG1 VAL 33 3HG1 VAL 33 -0.900 4.631 4.631 216 1HG2 VAL 33 2HG2 VAL 33 0.983 1.372 1.372 217 2HG2 VAL 33 3HG2 VAL 33 -0.418 1.746 1.746 218 3HG2 VAL 33 1HG2 VAL 33 -0.399 2.275 2.275 219 H ILE 34 H ILE 34 2.541 5.498 5.498 220 HA ILE 34 HA ILE 34 3.936 7.168 7.168 221 HB ILE 34 HB ILE 34 4.361 8.110 8.110 222 1HG1 ILE 34 1HG1 ILE 34 4.971 5.152 5.152 223 2HG1 ILE 34 2HG1 ILE 34 3.720 5.859 5.859 224 1HG2 ILE 34 2HG2 ILE 34 5.971 7.030 7.030 225 2HG2 ILE 34 3HG2 ILE 34 6.753 7.188 7.188 226 3HG2 ILE 34 1HG2 ILE 34 6.036 8.616 8.616 227 1HD1 ILE 34 2HD1 ILE 34 5.689 7.261 7.261 228 2HD1 ILE 34 3HD1 ILE 34 6.741 6.075 6.075 229 3HD1 ILE 34 1HD1 ILE 34 5.586 5.538 5.538 230 H ASN 35 H ASN 35 1.346 6.921 6.921 231 HA ASN 35 HA ASN 35 0.506 9.585 9.585 232 1HB ASN 35 1HB ASN 35 0.960 8.711 8.711 233 2HB ASN 35 2HB ASN 35 -0.737 8.304 8.304 234 1HD2 ASN 35 1HD2 ASN 35 0.372 10.239 10.239 235 2HD2 ASN 35 2HD2 ASN 35 -0.252 11.800 11.800 236 HA PRO 36 HA PRO 36 -2.604 6.781 6.781 237 1HB PRO 36 1HB PRO 36 -3.160 8.226 8.226 238 2HB PRO 36 2HB PRO 36 -1.935 6.974 6.974 239 1HG PRO 36 1HG PRO 36 -1.586 9.910 9.910 240 2HG PRO 36 2HG PRO 36 -0.412 8.662 8.662 241 1HD PRO 36 1HD PRO 36 -0.582 10.201 10.201 242 2HD PRO 36 2HD PRO 36 0.516 8.874 8.874 243 H ASP 37 H ASP 37 -2.865 8.945 8.945 244 HA ASP 37 HA ASP 37 -5.609 8.944 8.944 245 1HB ASP 37 1HB ASP 37 -5.544 10.494 10.494 246 2HB ASP 37 2HB ASP 37 -4.368 11.509 11.509 247 H SER 38 H SER 38 -3.337 8.520 8.520 248 HA SER 38 HA SER 38 -2.316 10.430 10.430 249 1HB SER 38 1HB SER 38 -2.196 7.904 7.904 250 2HB SER 38 2HB SER 38 -3.687 8.028 8.028 251 HG SER 38 HG SER 38 -1.255 9.483 9.483 252 H ASP 39 H ASP 39 -5.404 8.880 8.880 253 HA ASP 39 HA ASP 39 -7.268 9.789 9.789 254 1HB ASP 39 1HB ASP 39 -7.847 11.879 11.879 255 2HB ASP 39 2HB ASP 39 -6.262 11.946 11.946 256 H LEU 40 H LEU 40 -4.223 9.811 9.811 257 HA LEU 40 HA LEU 40 -4.503 11.425 11.425 258 1HB LEU 40 1HB LEU 40 -2.713 9.026 9.026 259 2HB LEU 40 2HB LEU 40 -2.504 10.341 10.341 260 HG LEU 40 HG LEU 40 -2.489 10.789 10.789 261 1HD1 LEU 40 3HD1 LEU 40 -0.761 9.095 9.095 262 2HD1 LEU 40 1HD1 LEU 40 -0.023 10.382 10.382 263 3HD1 LEU 40 2HD1 LEU 40 -0.129 10.563 10.563 264 1HD2 LEU 40 3HD2 LEU 40 -1.934 12.436 12.436 265 2HD2 LEU 40 1HD2 LEU 40 -2.681 12.882 12.882 266 3HD2 LEU 40 2HD2 LEU 40 -0.913 12.704 12.704 267 H ASP 41 H ASP 41 -3.527 8.996 8.996 268 HA ASP 41 HA ASP 41 -6.164 7.839 7.839 269 1HB ASP 41 1HB ASP 41 -5.782 9.656 9.656 270 2HB ASP 41 2HB ASP 41 -4.282 8.896 8.896 271 H CYS 42 H CYS 42 -3.173 7.237 7.237 272 HA CYS 42 HA CYS 42 -2.650 4.961 4.961 273 1HB CYS 42 1HB CYS 42 -0.469 4.874 4.874 274 2HB CYS 42 2HB CYS 42 -0.706 6.229 6.229 275 H VAL 43 H VAL 43 -3.864 5.988 5.988 276 HA VAL 43 HA VAL 43 -3.289 3.728 3.728 277 HB VAL 43 HB VAL 43 -5.303 5.936 5.936 278 1HG1 VAL 43 2HG1 VAL 43 -5.625 3.301 3.301 279 2HG1 VAL 43 3HG1 VAL 43 -5.795 4.703 4.703 280 3HG1 VAL 43 1HG1 VAL 43 -6.828 4.562 4.562 281 1HG2 VAL 43 2HG2 VAL 43 -2.960 5.021 5.021 282 2HG2 VAL 43 3HG2 VAL 43 -3.284 6.613 6.613 283 3HG2 VAL 43 1HG2 VAL 43 -4.197 6.086 6.086 284 H GLU 44 H GLU 44 -5.981 4.494 4.494 285 HA GLU 44 HA GLU 44 -7.433 2.189 2.189 286 1HB GLU 44 1HB GLU 44 -7.402 4.106 4.106 287 2HB GLU 44 2HB GLU 44 -8.453 2.704 2.704 288 1HG GLU 44 1HG GLU 44 -9.920 3.717 3.717 289 2HG GLU 44 2HG GLU 44 -8.653 4.063 4.063 290 H GLU 45 H GLU 45 -4.465 2.687 2.687 291 HA GLU 45 HA GLU 45 -4.831 0.409 0.409 292 1HB GLU 45 1HB GLU 45 -2.252 1.952 1.952 293 2HB GLU 45 2HB GLU 45 -2.685 0.985 0.985 294 1HG GLU 45 1HG GLU 45 -4.428 3.343 3.343 295 2HG GLU 45 2HG GLU 45 -2.917 3.633 3.633 296 H ALA 46 H ALA 46 -3.270 1.302 1.302 297 HA ALA 46 HA ALA 46 -1.621 -0.969 -0.969 298 1HB ALA 46 3HB ALA 46 -2.594 1.252 1.252 299 2HB ALA 46 1HB ALA 46 -2.074 -0.225 -0.225 300 3HB ALA 46 2HB ALA 46 -0.946 0.624 0.624 301 H ILE 47 H ILE 47 -5.070 -0.398 -0.398 302 HA ILE 47 HA ILE 47 -5.394 -2.833 -2.833 303 HB ILE 47 HB ILE 47 -7.101 -0.522 -0.522 304 1HG1 ILE 47 1HG1 ILE 47 -7.245 -1.903 -1.903 305 2HG1 ILE 47 2HG1 ILE 47 -5.738 -1.047 -1.047 306 1HG2 ILE 47 1HG2 ILE 47 -8.160 -3.277 -3.277 307 2HG2 ILE 47 2HG2 ILE 47 -9.113 -1.782 -1.782 308 3HG2 ILE 47 3HG2 ILE 47 -8.511 -2.280 -2.280 309 1HD1 ILE 47 1HD1 ILE 47 -8.090 0.534 0.534 310 2HD1 ILE 47 2HD1 ILE 47 -8.148 0.042 0.042 311 3HD1 ILE 47 3HD1 ILE 47 -6.745 0.947 0.947 312 H ASP 48 H ASP 48 -6.472 -1.471 -1.471 313 HA ASP 48 HA ASP 48 -7.646 -3.790 -3.790 314 1HB ASP 48 1HB ASP 48 -7.151 -1.221 -1.221 315 2HB ASP 48 2HB ASP 48 -6.251 -2.243 -2.243 316 H SER 49 H SER 49 -4.293 -2.903 -2.903 317 HA SER 49 HA SER 49 -3.383 -4.898 -4.898 318 1HB SER 49 1HB SER 49 -1.863 -2.912 -2.912 319 2HB SER 49 2HB SER 49 -1.096 -4.033 -4.033 320 HG SER 49 HG SER 49 -2.115 -1.594 -1.594 321 H CYS 50 H CYS 50 -4.014 -4.381 -4.381 322 HA CYS 50 HA CYS 50 -2.296 -6.555 -6.555 323 1HB CYS 50 1HB CYS 50 -2.358 -4.707 -4.707 324 2HB CYS 50 2HB CYS 50 -4.111 -4.672 -4.672 325 HA PRO 51 HA PRO 51 -5.734 -9.232 -9.232 326 1HB PRO 51 1HB PRO 51 -4.379 -11.592 -11.592 327 2HB PRO 51 2HB PRO 51 -4.480 -10.700 -10.700 328 1HG PRO 51 1HG PRO 51 -2.199 -10.936 -10.936 329 2HG PRO 51 2HG PRO 51 -2.198 -10.422 -10.422 330 1HD PRO 51 1HD PRO 51 -1.991 -8.737 -8.737 331 2HD PRO 51 2HD PRO 51 -2.107 -8.216 -8.216 332 H ALA 52 H ALA 52 -3.699 -9.108 -9.108 333 HA ALA 52 HA ALA 52 -5.425 -10.847 -10.847 334 1HB ALA 52 1HB ALA 52 -2.893 -9.276 -9.276 335 2HB ALA 52 2HB ALA 52 -3.826 -9.919 -9.919 336 3HB ALA 52 3HB ALA 52 -3.178 -11.027 -11.027 337 H GLU 53 H GLU 53 -5.471 -7.605 -7.605 338 HA GLU 53 HA GLU 53 -6.393 -5.748 -5.748 339 1HB GLU 53 1HB GLU 53 -8.434 -7.921 -7.921 340 2HB GLU 53 2HB GLU 53 -8.900 -6.433 -6.433 341 1HG GLU 53 1HG GLU 53 -7.837 -5.390 -5.390 342 2HG GLU 53 2HG GLU 53 -8.366 -6.943 -6.943 343 H ALA 54 H ALA 54 -4.659 -6.853 -6.853 344 HA ALA 54 HA ALA 54 -6.040 -6.833 -6.833 345 1HB ALA 54 2HB ALA 54 -3.877 -8.100 -8.100 346 2HB ALA 54 3HB ALA 54 -3.054 -6.552 -6.552 347 3HB ALA 54 1HB ALA 54 -3.938 -7.369 -7.369 348 H ILE 55 H ILE 55 -5.054 -4.446 -4.446 349 HA ILE 55 HA ILE 55 -4.373 -2.475 -2.475 350 HB ILE 55 HB ILE 55 -4.843 -2.090 -2.090 351 1HG1 ILE 55 1HG1 ILE 55 -2.076 -2.433 -2.433 352 2HG1 ILE 55 2HG1 ILE 55 -3.070 -3.902 -3.902 353 1HG2 ILE 55 2HG2 ILE 55 -4.190 -0.324 -0.324 354 2HG2 ILE 55 3HG2 ILE 55 -2.786 -0.443 -0.443 355 3HG2 ILE 55 1HG2 ILE 55 -4.374 0.034 0.034 356 1HD1 ILE 55 3HD1 ILE 55 -3.628 -3.038 -3.038 357 2HD1 ILE 55 1HD1 ILE 55 -2.241 -1.947 -1.947 358 3HD1 ILE 55 2HD1 ILE 55 -2.005 -3.711 -3.711 359 H VAL 56 H VAL 56 -5.842 -1.333 -1.333 360 HA VAL 56 HA VAL 56 -8.475 -0.971 -0.971 361 HB VAL 56 HB VAL 56 -9.320 -0.993 -0.993 362 1HG1 VAL 56 3HG1 VAL 56 -8.659 -3.180 -3.180 363 2HG1 VAL 56 1HG1 VAL 56 -8.695 -3.722 -3.722 364 3HG1 VAL 56 2HG1 VAL 56 -10.117 -2.918 -2.918 365 1HG2 VAL 56 2HG2 VAL 56 -7.122 -0.772 -0.772 366 2HG2 VAL 56 3HG2 VAL 56 -8.003 -2.218 -2.218 367 3HG2 VAL 56 1HG2 VAL 56 -6.661 -2.379 -2.379 368 H ARG 57 H ARG 57 -9.561 1.046 1.046 369 HA ARG 57 HA ARG 57 -7.594 3.083 3.083 370 1HB ARG 57 1HB ARG 57 -9.115 4.646 4.646 371 2HB ARG 57 2HB ARG 57 -8.904 3.240 3.240 372 1HG ARG 57 1HG ARG 57 -11.054 2.336 2.336 373 2HG ARG 57 2HG ARG 57 -11.310 4.030 4.030 374 1HD ARG 57 1HD ARG 57 -10.843 4.309 4.309 375 2HD ARG 57 2HD ARG 57 -11.372 2.640 2.640 376 HE ARG 57 HE ARG 57 -13.039 4.969 4.969 377 1HH1 ARG 57 2HH2 ARG 57 -12.716 1.521 1.521 378 2HH1 ARG 57 1HH2 ARG 57 -14.407 1.301 1.301 379 1HH2 ARG 57 2HH1 ARG 57 -15.230 4.671 4.671 380 2HH2 ARG 57 1HH1 ARG 57 -15.890 3.173 3.173 381 H SER 58 H SER 58 -8.536 1.574 1.574 382 HA SER 58 HA SER 58 -10.745 2.220 2.220 383 1HB SER 58 1HB SER 58 -9.030 0.769 0.769 384 2HB SER 58 2HB SER 58 -7.928 2.119 2.119 385 HG SER 58 HG SER 58 -9.736 3.064 3.064 Start of MODEL 5 1 HA PRO 1 HA PRO 1 -7.715 5.662 5.662 2 1HB PRO 1 1HB PRO 1 -6.619 6.788 6.788 3 2HB PRO 1 2HB PRO 1 -7.474 7.714 7.714 4 1HG PRO 1 1HG PRO 1 -4.566 7.549 7.549 5 2HG PRO 1 2HG PRO 1 -5.458 8.758 8.758 6 1HD PRO 1 1HD PRO 1 -3.885 6.622 6.622 7 2HD PRO 1 2HD PRO 1 -4.871 7.761 7.761 8 H ILE 2 H ILE 2 -4.864 5.446 5.446 9 HA ILE 2 HA ILE 2 -5.832 2.931 2.931 10 HB ILE 2 HB ILE 2 -4.159 3.107 3.107 11 1HG1 ILE 2 1HG1 ILE 2 -2.318 3.583 3.583 12 2HG1 ILE 2 2HG1 ILE 2 -2.185 4.409 4.409 13 1HG2 ILE 2 2HG2 ILE 2 -5.647 5.541 5.541 14 2HG2 ILE 2 3HG2 ILE 2 -4.259 5.813 5.813 15 3HG2 ILE 2 1HG2 ILE 2 -5.539 4.667 4.667 16 1HD1 ILE 2 2HD1 ILE 2 -3.552 6.296 6.296 17 2HD1 ILE 2 3HD1 ILE 2 -2.794 5.492 5.492 18 3HD1 ILE 2 1HD1 ILE 2 -1.779 6.177 6.177 19 H GLU 3 H GLU 3 -5.110 0.887 0.887 20 HA GLU 3 HA GLU 3 -2.859 0.774 0.774 21 1HB GLU 3 1HB GLU 3 -5.542 0.227 0.227 22 2HB GLU 3 2HB GLU 3 -4.824 -1.357 -1.357 23 1HG GLU 3 1HG GLU 3 -4.083 -1.103 -1.103 24 2HG GLU 3 2HG GLU 3 -2.835 -0.098 -0.098 25 H VAL 4 H VAL 4 -1.649 -1.285 -1.285 26 HA VAL 4 HA VAL 4 -2.004 -2.615 -2.615 27 HB VAL 4 HB VAL 4 0.068 -1.322 -1.322 28 1HG1 VAL 4 2HG1 VAL 4 0.030 -2.395 -2.395 29 2HG1 VAL 4 3HG1 VAL 4 1.427 -3.152 -3.152 30 3HG1 VAL 4 1HG1 VAL 4 1.296 -1.379 -1.379 31 1HG2 VAL 4 1HG2 VAL 4 0.350 -4.336 -4.336 32 2HG2 VAL 4 2HG2 VAL 4 0.151 -3.170 -3.170 33 3HG2 VAL 4 3HG2 VAL 4 1.657 -3.189 -3.189 34 H ASN 5 H ASN 5 -2.726 -2.939 -2.939 35 HA ASN 5 HA ASN 5 -3.310 -4.611 -4.611 36 1HB ASN 5 1HB ASN 5 -3.137 -6.088 -6.088 37 2HB ASN 5 2HB ASN 5 -3.508 -6.969 -6.969 38 1HD2 ASN 5 1HD2 ASN 5 -5.579 -7.446 -7.446 39 2HD2 ASN 5 2HD2 ASN 5 -6.880 -6.329 -6.329 40 H ASP 6 H ASP 6 -2.478 -7.313 -7.313 41 HA ASP 6 HA ASP 6 0.419 -6.999 -6.999 42 1HB ASP 6 1HB ASP 6 -0.829 -7.070 -7.070 43 2HB ASP 6 2HB ASP 6 -1.375 -8.684 -8.684 44 H ASP 7 H ASP 7 -2.412 -9.216 -9.216 45 HA ASP 7 HA ASP 7 -1.205 -11.568 -11.568 46 1HB ASP 7 1HB ASP 7 -3.639 -10.235 -10.235 47 2HB ASP 7 2HB ASP 7 -3.107 -11.680 -11.680 48 H CYS 8 H CYS 8 -1.215 -8.685 -8.685 49 HA CYS 8 HA CYS 8 -0.641 -9.750 -9.750 50 1HB CYS 8 1HB CYS 8 -0.934 -7.512 -7.512 51 2HB CYS 8 2HB CYS 8 -0.205 -7.147 -7.147 52 H MET 9 H MET 9 1.557 -9.798 -9.798 53 HA MET 9 HA MET 9 3.469 -10.975 -10.975 54 1HB MET 9 1HB MET 9 2.810 -12.412 -12.412 55 2HB MET 9 2HB MET 9 3.058 -11.119 -11.119 56 1HG MET 9 1HG MET 9 5.533 -11.117 -11.117 57 2HG MET 9 2HG MET 9 5.215 -12.554 -12.554 58 1HE MET 9 3HE MET 9 3.608 -14.535 -14.535 59 2HE MET 9 1HE MET 9 2.690 -13.379 -13.379 60 3HE MET 9 2HE MET 9 3.545 -14.735 -14.735 61 H ALA 10 H ALA 10 4.080 -9.509 -9.509 62 HA ALA 10 HA ALA 10 4.992 -7.065 -7.065 63 1HB ALA 10 1HB ALA 10 6.828 -9.141 -9.141 64 2HB ALA 10 2HB ALA 10 7.600 -7.827 -7.827 65 3HB ALA 10 3HB ALA 10 6.592 -7.447 -7.447 66 H CYS 11 H CYS 11 3.841 -8.174 -8.174 67 HA CYS 11 HA CYS 11 5.719 -9.108 -9.108 68 1HB CYS 11 1HB CYS 11 2.863 -8.669 -8.669 69 2HB CYS 11 2HB CYS 11 3.493 -8.076 -8.076 70 H GLU 12 H GLU 12 4.498 -5.965 -5.965 71 HA GLU 12 HA GLU 12 5.166 -3.931 -3.931 72 1HB GLU 12 1HB GLU 12 7.447 -5.489 -5.489 73 2HB GLU 12 2HB GLU 12 7.278 -4.003 -4.003 74 1HG GLU 12 1HG GLU 12 7.255 -2.675 -2.675 75 2HG GLU 12 2HG GLU 12 7.293 -4.137 -4.137 76 H ALA 13 H ALA 13 3.261 -5.484 -5.484 77 HA ALA 13 HA ALA 13 3.592 -4.554 -4.554 78 1HB ALA 13 2HB ALA 13 1.562 -6.007 -6.007 79 2HB ALA 13 3HB ALA 13 0.944 -5.132 -5.132 80 3HB ALA 13 1HB ALA 13 2.207 -6.370 -6.370 81 H CYS 14 H CYS 14 1.535 -3.507 -3.507 82 HA CYS 14 HA CYS 14 0.372 -1.367 -1.367 83 1HB CYS 14 1HB CYS 14 -0.231 -0.548 -0.548 84 2HB CYS 14 2HB CYS 14 -0.641 -2.231 -2.231 85 H VAL 15 H VAL 15 3.487 -1.870 -1.870 86 HA VAL 15 HA VAL 15 4.110 0.903 0.903 87 HB VAL 15 HB VAL 15 5.776 -1.612 -1.612 88 1HG1 VAL 15 3HG1 VAL 15 6.544 1.217 1.217 89 2HG1 VAL 15 1HG1 VAL 15 7.091 0.356 0.356 90 3HG1 VAL 15 2HG1 VAL 15 7.547 -0.246 -0.246 91 1HG2 VAL 15 1HG2 VAL 15 4.561 0.176 0.176 92 2HG2 VAL 15 2HG2 VAL 15 4.069 -1.486 -1.486 93 3HG2 VAL 15 3HG2 VAL 15 5.672 -1.180 -1.180 94 H GLU 16 H GLU 16 4.413 -1.644 -1.644 95 HA GLU 16 HA GLU 16 6.317 -0.174 -0.174 96 1HB GLU 16 1HB GLU 16 4.962 -2.797 -2.797 97 2HB GLU 16 2HB GLU 16 5.190 -2.061 -2.061 98 1HG GLU 16 1HG GLU 16 7.647 -1.612 -1.612 99 2HG GLU 16 2HG GLU 16 7.315 -2.744 -2.744 100 H ILE 17 H ILE 17 2.890 -0.077 -0.077 101 HA ILE 17 HA ILE 17 2.441 1.126 1.126 102 HB ILE 17 HB ILE 17 0.976 -0.660 -0.660 103 1HG1 ILE 17 1HG1 ILE 17 0.632 0.017 0.017 104 2HG1 ILE 17 2HG1 ILE 17 -0.914 -0.004 -0.004 105 1HG2 ILE 17 2HG2 ILE 17 -0.029 2.038 2.038 106 2HG2 ILE 17 3HG2 ILE 17 -1.035 0.569 0.569 107 3HG2 ILE 17 1HG2 ILE 17 0.435 0.631 0.631 108 1HD1 ILE 17 1HD1 ILE 17 -0.397 2.547 2.547 109 2HD1 ILE 17 2HD1 ILE 17 0.746 2.340 2.340 110 3HD1 ILE 17 3HD1 ILE 17 -0.988 2.020 2.020 111 H CYS 18 H CYS 18 2.329 1.835 1.835 112 HA CYS 18 HA CYS 18 2.549 4.648 4.648 113 1HB CYS 18 1HB CYS 18 0.129 3.824 3.824 114 2HB CYS 18 2HB CYS 18 0.755 3.898 3.898 115 HA PRO 19 HA PRO 19 5.524 3.268 3.268 116 1HB PRO 19 1HB PRO 19 7.771 4.290 4.290 117 2HB PRO 19 2HB PRO 19 7.229 2.640 2.640 118 1HG PRO 19 1HG PRO 19 7.051 4.939 4.939 119 2HG PRO 19 2HG PRO 19 6.916 3.229 3.229 120 1HD PRO 19 1HD PRO 19 4.765 5.119 5.119 121 2HD PRO 19 2HD PRO 19 4.623 3.389 3.389 122 H ASP 20 H ASP 20 4.082 6.002 6.002 123 HA ASP 20 HA ASP 20 5.778 7.644 7.644 124 1HB ASP 20 1HB ASP 20 4.385 8.155 8.155 125 2HB ASP 20 2HB ASP 20 3.305 8.826 8.826 126 H VAL 21 H VAL 21 2.968 5.652 5.652 127 HA VAL 21 HA VAL 21 1.910 7.106 7.106 128 HB VAL 21 HB VAL 21 0.547 5.252 5.252 129 1HG1 VAL 21 2HG1 VAL 21 -0.431 6.535 6.535 130 2HG1 VAL 21 3HG1 VAL 21 -1.541 6.008 6.008 131 3HG1 VAL 21 1HG1 VAL 21 -0.489 4.821 4.821 132 1HG2 VAL 21 3HG2 VAL 21 1.026 7.536 7.536 133 2HG2 VAL 21 1HG2 VAL 21 -0.716 7.205 7.205 134 3HG2 VAL 21 2HG2 VAL 21 0.113 8.211 8.211 135 H PHE 22 H PHE 22 3.277 4.122 4.122 136 HA PHE 22 HA PHE 22 3.243 3.054 3.054 137 1HB PHE 22 1HB PHE 22 2.809 1.442 1.442 138 2HB PHE 22 2HB PHE 22 2.611 0.854 0.854 139 HD1 PHE 22 2HD PHE 22 0.761 2.022 2.022 140 HD2 PHE 22 1HD PHE 22 0.953 2.194 2.194 141 HE1 PHE 22 2HE PHE 22 -1.680 2.599 2.599 142 HE2 PHE 22 1HE PHE 22 -1.487 2.770 2.770 143 HZ PHE 22 HZ PHE 22 -2.775 2.966 2.966 144 H GLU 23 H GLU 23 5.320 2.743 2.743 145 HA GLU 23 HA GLU 23 7.180 1.915 1.915 146 1HB GLU 23 1HB GLU 23 8.102 3.979 3.979 147 2HB GLU 23 2HB GLU 23 7.347 4.148 4.148 148 1HG GLU 23 1HG GLU 23 9.009 2.572 2.572 149 2HG GLU 23 2HG GLU 23 9.751 2.356 2.356 150 H MET 24 H MET 24 9.071 0.623 0.623 151 HA MET 24 HA MET 24 8.187 -1.445 -1.445 152 1HB MET 24 1HB MET 24 11.129 -0.686 -0.686 153 2HB MET 24 2HB MET 24 10.428 -2.292 -2.292 154 1HG MET 24 1HG MET 24 10.511 -2.198 -2.198 155 2HG MET 24 2HG MET 24 9.177 -1.065 -1.065 156 1HE MET 24 1HE MET 24 10.032 -0.215 -0.215 157 2HE MET 24 2HE MET 24 9.346 1.067 1.067 158 3HE MET 24 3HE MET 24 10.826 1.376 1.376 159 H ASN 25 H ASN 25 8.667 -2.110 -2.110 160 HA ASN 25 HA ASN 25 8.853 0.091 0.091 161 1HB ASN 25 1HB ASN 25 8.423 -1.549 -1.549 162 2HB ASN 25 2HB ASN 25 7.443 -2.014 -2.014 163 1HD2 ASN 25 1HD2 ASN 25 9.393 -3.148 -3.148 164 2HD2 ASN 25 2HD2 ASN 25 10.002 -4.602 -4.602 165 H GLU 26 H GLU 26 10.303 -1.632 -1.632 166 HA GLU 26 HA GLU 26 12.817 -0.604 -0.604 167 1HB GLU 26 1HB GLU 26 11.466 -1.897 -1.897 168 2HB GLU 26 2HB GLU 26 12.602 -3.151 -3.151 169 1HG GLU 26 1HG GLU 26 14.479 -1.458 -1.458 170 2HG GLU 26 2HG GLU 26 13.311 -0.288 -0.288 171 H GLU 27 H GLU 27 11.584 -3.932 -3.932 172 HA GLU 27 HA GLU 27 14.007 -4.280 -4.280 173 1HB GLU 27 1HB GLU 27 12.434 -6.514 -6.514 174 2HB GLU 27 2HB GLU 27 13.972 -6.661 -6.661 175 1HG GLU 27 1HG GLU 27 14.889 -4.954 -4.954 176 2HG GLU 27 2HG GLU 27 13.406 -5.222 -5.222 177 H GLY 28 H GLY 28 11.206 -3.180 -3.180 178 1HA GLY 28 1HA GLY 28 9.675 -3.305 -3.305 179 2HA GLY 28 2HA GLY 28 10.886 -4.173 -4.173 180 H ASP 29 H ASP 29 9.939 -5.569 -5.569 181 HA ASP 29 HA ASP 29 8.989 -7.865 -7.865 182 1HB ASP 29 1HB ASP 29 10.105 -7.381 -7.381 183 2HB ASP 29 2HB ASP 29 8.418 -7.462 -7.462 184 H LYS 30 H LYS 30 7.623 -4.847 -4.847 185 HA LYS 30 HA LYS 30 4.981 -5.792 -5.792 186 1HB LYS 30 1HB LYS 30 5.811 -5.388 -5.388 187 2HB LYS 30 2HB LYS 30 4.482 -4.334 -4.334 188 1HG LYS 30 1HG LYS 30 3.155 -6.247 -6.247 189 2HG LYS 30 2HG LYS 30 4.506 -7.335 -7.335 190 1HD LYS 30 1HD LYS 30 4.249 -6.126 -6.126 191 2HD LYS 30 2HD LYS 30 2.584 -6.246 -6.246 192 1HE LYS 30 1HE LYS 30 3.133 -8.294 -8.294 193 2HE LYS 30 2HE LYS 30 3.000 -8.701 -8.701 194 1HZ LYS 30 1HZ LYS 30 5.001 -9.607 -9.607 195 2HZ LYS 30 2HZ LYS 30 5.379 -8.728 -8.728 196 H ALA 31 H ALA 31 4.174 -4.330 -4.330 197 HA ALA 31 HA ALA 31 5.484 -1.959 -1.959 198 1HB ALA 31 3HB ALA 31 2.853 -3.238 -3.238 199 2HB ALA 31 1HB ALA 31 3.034 -1.505 -1.505 200 3HB ALA 31 2HB ALA 31 4.150 -2.688 -2.688 201 H VAL 32 H VAL 32 5.792 -0.286 -0.286 202 HA VAL 32 HA VAL 32 3.787 0.241 0.241 203 HB VAL 32 HB VAL 32 6.589 1.113 1.113 204 1HG1 VAL 32 3HG1 VAL 32 4.613 2.594 2.594 205 2HG1 VAL 32 1HG1 VAL 32 6.377 2.728 2.728 206 3HG1 VAL 32 2HG1 VAL 32 5.604 3.239 3.239 207 1HG2 VAL 32 3HG2 VAL 32 5.753 -0.897 -0.897 208 2HG2 VAL 32 1HG2 VAL 32 7.109 0.120 0.120 209 3HG2 VAL 32 2HG2 VAL 32 5.481 0.376 0.376 210 H VAL 33 H VAL 33 2.852 2.414 2.414 211 HA VAL 33 HA VAL 33 2.220 3.558 3.558 212 HB VAL 33 HB VAL 33 1.015 4.027 4.027 213 1HG1 VAL 33 3HG1 VAL 33 0.795 5.780 5.780 214 2HG1 VAL 33 1HG1 VAL 33 -0.361 4.605 4.605 215 3HG1 VAL 33 2HG1 VAL 33 -0.640 5.305 5.305 216 1HG2 VAL 33 2HG2 VAL 33 0.857 1.662 1.662 217 2HG2 VAL 33 3HG2 VAL 33 -0.653 2.449 2.449 218 3HG2 VAL 33 1HG2 VAL 33 -0.223 2.397 2.397 219 H ILE 34 H ILE 34 2.732 5.656 5.656 220 HA ILE 34 HA ILE 34 4.456 7.081 7.081 221 HB ILE 34 HB ILE 34 4.814 7.954 7.954 222 1HG1 ILE 34 1HG1 ILE 34 5.246 4.978 4.978 223 2HG1 ILE 34 2HG1 ILE 34 3.963 5.709 5.709 224 1HG2 ILE 34 1HG2 ILE 34 6.414 8.274 8.274 225 2HG2 ILE 34 2HG2 ILE 34 6.638 6.513 6.513 226 3HG2 ILE 34 3HG2 ILE 34 7.150 7.361 7.361 227 1HD1 ILE 34 2HD1 ILE 34 5.751 6.828 6.828 228 2HD1 ILE 34 3HD1 ILE 34 6.979 6.004 6.004 229 3HD1 ILE 34 1HD1 ILE 34 5.877 5.053 5.053 230 H ASN 35 H ASN 35 1.657 7.169 7.169 231 HA ASN 35 HA ASN 35 1.276 9.943 9.943 232 1HB ASN 35 1HB ASN 35 1.418 9.105 9.105 233 2HB ASN 35 2HB ASN 35 -0.264 8.695 8.695 234 1HD2 ASN 35 1HD2 ASN 35 1.146 10.772 10.772 235 2HD2 ASN 35 2HD2 ASN 35 0.401 12.284 12.284 236 HA PRO 36 HA PRO 36 -1.990 7.479 7.479 237 1HB PRO 36 1HB PRO 36 -1.905 8.696 8.696 238 2HB PRO 36 2HB PRO 36 -0.989 7.252 7.252 239 1HG PRO 36 1HG PRO 36 -0.036 10.038 10.038 240 2HG PRO 36 2HG PRO 36 0.892 8.553 8.553 241 1HD PRO 36 1HD PRO 36 0.705 10.398 10.398 242 2HD PRO 36 2HD PRO 36 1.537 8.856 8.856 243 H ASP 37 H ASP 37 -2.308 9.603 9.603 244 HA ASP 37 HA ASP 37 -4.895 10.247 10.247 245 1HB ASP 37 1HB ASP 37 -3.997 11.654 11.654 246 2HB ASP 37 2HB ASP 37 -2.945 12.488 12.488 247 H SER 38 H SER 38 -3.370 9.386 9.386 248 HA SER 38 HA SER 38 -2.394 11.371 11.371 249 1HB SER 38 1HB SER 38 -2.436 8.698 8.698 250 2HB SER 38 2HB SER 38 -3.812 8.996 8.996 251 HG SER 38 HG SER 38 -1.334 10.410 10.410 252 H ASP 39 H ASP 39 -3.827 11.042 11.042 253 HA ASP 39 HA ASP 39 -6.545 11.589 11.589 254 1HB ASP 39 1HB ASP 39 -5.297 13.771 13.771 255 2HB ASP 39 2HB ASP 39 -4.941 13.993 13.993 256 H LEU 40 H LEU 40 -4.685 9.920 9.920 257 HA LEU 40 HA LEU 40 -5.200 11.007 11.007 258 1HB LEU 40 1HB LEU 40 -3.290 9.383 9.383 259 2HB LEU 40 2HB LEU 40 -2.922 10.954 10.954 260 HG LEU 40 HG LEU 40 -2.506 9.962 9.962 261 1HD1 LEU 40 1HD1 LEU 40 -4.168 8.164 8.164 262 2HD1 LEU 40 2HD1 LEU 40 -3.172 7.295 7.295 263 3HD1 LEU 40 3HD1 LEU 40 -2.561 7.551 7.551 264 1HD2 LEU 40 2HD2 LEU 40 -0.823 9.905 9.905 265 2HD2 LEU 40 3HD2 LEU 40 -0.408 9.210 9.210 266 3HD2 LEU 40 1HD2 LEU 40 -0.956 8.149 8.149 267 H ASP 41 H ASP 41 -4.843 8.707 8.707 268 HA ASP 41 HA ASP 41 -7.110 7.165 7.165 269 1HB ASP 41 1HB ASP 41 -7.160 8.303 8.303 270 2HB ASP 41 2HB ASP 41 -5.858 7.243 7.243 271 H CYS 42 H CYS 42 -3.695 7.147 7.147 272 HA CYS 42 HA CYS 42 -3.051 4.662 4.662 273 1HB CYS 42 1HB CYS 42 -0.977 5.091 5.091 274 2HB CYS 42 2HB CYS 42 -1.635 6.705 6.705 275 H VAL 43 H VAL 43 -4.603 5.686 5.686 276 HA VAL 43 HA VAL 43 -4.098 3.329 3.329 277 HB VAL 43 HB VAL 43 -6.224 5.468 5.468 278 1HG1 VAL 43 3HG1 VAL 43 -6.665 3.119 3.119 279 2HG1 VAL 43 1HG1 VAL 43 -5.460 3.654 3.654 280 3HG1 VAL 43 2HG1 VAL 43 -6.947 4.600 4.600 281 1HG2 VAL 43 1HG2 VAL 43 -3.457 5.534 5.534 282 2HG2 VAL 43 2HG2 VAL 43 -4.682 6.735 6.735 283 3HG2 VAL 43 3HG2 VAL 43 -4.247 5.419 5.419 284 H GLU 44 H GLU 44 -6.373 4.233 4.233 285 HA GLU 44 HA GLU 44 -8.172 2.123 2.123 286 1HB GLU 44 1HB GLU 44 -8.678 4.344 4.344 287 2HB GLU 44 2HB GLU 44 -7.935 3.623 3.623 288 1HG GLU 44 1HG GLU 44 -9.680 1.614 1.614 289 2HG GLU 44 2HG GLU 44 -10.576 3.079 3.079 290 H GLU 45 H GLU 45 -5.470 2.698 2.698 291 HA GLU 45 HA GLU 45 -5.865 0.130 0.130 292 1HB GLU 45 1HB GLU 45 -3.869 0.732 0.732 293 2HB GLU 45 2HB GLU 45 -5.084 1.995 1.995 294 1HG GLU 45 1HG GLU 45 -3.619 2.804 2.804 295 2HG GLU 45 2HG GLU 45 -2.364 2.004 2.004 296 H ALA 46 H ALA 46 -4.301 1.399 1.399 297 HA ALA 46 HA ALA 46 -2.227 -0.619 -0.619 298 1HB ALA 46 1HB ALA 46 -3.082 1.562 1.562 299 2HB ALA 46 2HB ALA 46 -1.691 0.479 0.479 300 3HB ALA 46 3HB ALA 46 -1.705 1.610 1.610 301 H ILE 47 H ILE 47 -5.567 -0.321 -0.321 302 HA ILE 47 HA ILE 47 -5.345 -2.422 -2.422 303 HB ILE 47 HB ILE 47 -7.110 -0.139 -0.139 304 1HG1 ILE 47 1HG1 ILE 47 -7.531 -0.995 -0.995 305 2HG1 ILE 47 2HG1 ILE 47 -5.940 -1.717 -1.717 306 1HG2 ILE 47 1HG2 ILE 47 -8.648 -1.901 -1.901 307 2HG2 ILE 47 2HG2 ILE 47 -8.376 -2.785 -2.785 308 3HG2 ILE 47 3HG2 ILE 47 -9.158 -1.186 -1.186 309 1HD1 ILE 47 1HD1 ILE 47 -5.246 0.613 0.613 310 2HD1 ILE 47 2HD1 ILE 47 -6.776 1.206 1.206 311 3HD1 ILE 47 3HD1 ILE 47 -5.549 0.471 0.471 312 H ASP 48 H ASP 48 -6.978 -1.518 -1.518 313 HA ASP 48 HA ASP 48 -8.344 -3.917 -3.917 314 1HB ASP 48 1HB ASP 48 -8.125 -1.515 -1.515 315 2HB ASP 48 2HB ASP 48 -7.450 -2.684 -2.684 316 H SER 49 H SER 49 -5.018 -2.864 -2.864 317 HA SER 49 HA SER 49 -4.465 -5.099 -5.099 318 1HB SER 49 1HB SER 49 -2.656 -2.992 -2.992 319 2HB SER 49 2HB SER 49 -2.092 -4.218 -4.218 320 HG SER 49 HG SER 49 -4.332 -2.791 -2.791 321 H CYS 50 H CYS 50 -4.854 -4.627 -4.627 322 HA CYS 50 HA CYS 50 -2.759 -6.448 -6.448 323 1HB CYS 50 1HB CYS 50 -3.132 -4.613 -4.613 324 2HB CYS 50 2HB CYS 50 -4.856 -4.915 -4.915 325 HA PRO 51 HA PRO 51 -5.678 -9.705 -9.705 326 1HB PRO 51 1HB PRO 51 -3.914 -11.781 -11.781 327 2HB PRO 51 2HB PRO 51 -4.214 -10.934 -10.934 328 1HG PRO 51 1HG PRO 51 -1.879 -10.741 -10.741 329 2HG PRO 51 2HG PRO 51 -2.015 -10.249 -10.249 330 1HD PRO 51 1HD PRO 51 -2.053 -8.535 -8.535 331 2HD PRO 51 2HD PRO 51 -2.305 -8.058 -8.058 332 H ALA 52 H ALA 52 -3.455 -9.449 -9.449 333 HA ALA 52 HA ALA 52 -4.964 -11.328 -11.328 334 1HB ALA 52 1HB ALA 52 -2.412 -10.834 -10.834 335 2HB ALA 52 2HB ALA 52 -2.857 -9.403 -9.403 336 3HB ALA 52 3HB ALA 52 -3.258 -11.033 -11.033 337 H GLU 53 H GLU 53 -5.449 -8.153 -8.153 338 HA GLU 53 HA GLU 53 -6.476 -6.387 -6.387 339 1HB GLU 53 1HB GLU 53 -8.252 -8.190 -8.190 340 2HB GLU 53 2HB GLU 53 -8.466 -8.381 -8.381 341 1HG GLU 53 1HG GLU 53 -10.082 -6.752 -6.752 342 2HG GLU 53 2HG GLU 53 -8.726 -5.748 -5.748 343 H ALA 54 H ALA 54 -4.414 -7.327 -7.327 344 HA ALA 54 HA ALA 54 -5.501 -7.305 -7.305 345 1HB ALA 54 3HB ALA 54 -3.450 -8.559 -8.559 346 2HB ALA 54 1HB ALA 54 -2.632 -7.007 -7.007 347 3HB ALA 54 2HB ALA 54 -3.157 -7.433 -7.433 348 H ILE 55 H ILE 55 -4.659 -4.945 -4.945 349 HA ILE 55 HA ILE 55 -4.165 -2.880 -2.880 350 HB ILE 55 HB ILE 55 -2.742 -2.786 -2.786 351 1HG1 ILE 55 1HG1 ILE 55 -3.835 -0.663 -0.663 352 2HG1 ILE 55 2HG1 ILE 55 -4.845 -0.709 -0.709 353 1HG2 ILE 55 1HG2 ILE 55 -5.152 -3.561 -3.561 354 2HG2 ILE 55 2HG2 ILE 55 -4.070 -2.406 -2.406 355 3HG2 ILE 55 3HG2 ILE 55 -3.439 -3.973 -3.973 356 1HD1 ILE 55 2HD1 ILE 55 -2.412 -1.044 -1.044 357 2HD1 ILE 55 3HD1 ILE 55 -1.913 -0.173 -0.173 358 3HD1 ILE 55 1HD1 ILE 55 -3.081 0.567 0.567 359 H VAL 56 H VAL 56 -5.769 -1.731 -1.731 360 HA VAL 56 HA VAL 56 -8.259 -1.482 -1.482 361 HB VAL 56 HB VAL 56 -9.264 -1.412 -1.412 362 1HG1 VAL 56 1HG1 VAL 56 -8.447 -3.892 -3.892 363 2HG1 VAL 56 2HG1 VAL 56 -9.501 -3.955 -3.955 364 3HG1 VAL 56 3HG1 VAL 56 -10.012 -3.047 -3.047 365 1HG2 VAL 56 2HG2 VAL 56 -6.677 -2.937 -2.937 366 2HG2 VAL 56 3HG2 VAL 56 -7.254 -1.499 -1.499 367 3HG2 VAL 56 1HG2 VAL 56 -8.087 -3.059 -3.059 368 H ARG 57 H ARG 57 -9.646 0.353 0.353 369 HA ARG 57 HA ARG 57 -7.739 2.531 2.531 370 1HB ARG 57 1HB ARG 57 -10.122 2.273 2.273 371 2HB ARG 57 2HB ARG 57 -10.206 3.702 3.702 372 1HG ARG 57 1HG ARG 57 -7.717 4.112 4.112 373 2HG ARG 57 2HG ARG 57 -8.086 2.968 2.968 374 1HD ARG 57 1HD ARG 57 -9.761 4.367 4.367 375 2HD ARG 57 2HD ARG 57 -9.965 5.294 5.294 376 HE ARG 57 HE ARG 57 -7.259 5.577 5.577 377 1HH1 ARG 57 2HH2 ARG 57 -10.558 6.629 6.629 378 2HH1 ARG 57 1HH2 ARG 57 -10.048 8.095 8.095 379 1HH2 ARG 57 2HH1 ARG 57 -6.611 7.481 7.481 380 2HH2 ARG 57 1HH1 ARG 57 -7.709 8.592 8.592 381 H SER 58 H SER 58 -8.475 0.954 0.954 382 HA SER 58 HA SER 58 -10.704 1.385 1.385 383 1HB SER 58 1HB SER 58 -8.679 0.100 0.100 384 2HB SER 58 2HB SER 58 -7.919 1.614 1.614 385 HG SER 58 HG SER 58 -9.754 2.000 2.000 Start of MODEL 6 1 HA PRO 1 HA PRO 1 -4.880 7.307 7.307 2 1HB PRO 1 1HB PRO 1 -2.527 6.024 6.024 3 2HB PRO 1 2HB PRO 1 -2.608 7.680 7.680 4 1HG PRO 1 1HG PRO 1 -1.851 5.246 5.246 5 2HG PRO 1 2HG PRO 1 -1.538 6.922 6.922 6 1HD PRO 1 1HD PRO 1 -3.527 5.219 5.219 7 2HD PRO 1 2HD PRO 1 -3.290 6.926 6.926 8 H ILE 2 H ILE 2 -3.809 5.604 5.604 9 HA ILE 2 HA ILE 2 -6.005 3.990 3.990 10 HB ILE 2 HB ILE 2 -4.337 2.831 2.831 11 1HG1 ILE 2 1HG1 ILE 2 -2.435 4.008 4.008 12 2HG1 ILE 2 2HG1 ILE 2 -2.200 3.532 3.532 13 1HG2 ILE 2 3HG2 ILE 2 -5.320 5.662 5.662 14 2HG2 ILE 2 1HG2 ILE 2 -4.289 5.054 5.054 15 3HG2 ILE 2 2HG2 ILE 2 -5.833 4.248 4.248 16 1HD1 ILE 2 3HD1 ILE 2 -3.422 6.216 6.216 17 2HD1 ILE 2 1HD1 ILE 2 -1.732 6.033 6.033 18 3HD1 ILE 2 2HD1 ILE 2 -2.172 5.720 5.720 19 H GLU 3 H GLU 3 -5.206 1.420 1.420 20 HA GLU 3 HA GLU 3 -4.166 0.409 0.409 21 1HB GLU 3 1HB GLU 3 -6.752 0.376 0.376 22 2HB GLU 3 2HB GLU 3 -6.565 -0.855 -0.855 23 1HG GLU 3 1HG GLU 3 -5.864 -2.462 -2.462 24 2HG GLU 3 2HG GLU 3 -4.972 -1.314 -1.314 25 H VAL 4 H VAL 4 -3.104 -1.676 -1.676 26 HA VAL 4 HA VAL 4 -2.769 -2.650 -2.650 27 HB VAL 4 HB VAL 4 -0.891 -1.245 -1.245 28 1HG1 VAL 4 1HG1 VAL 4 -1.232 -1.314 -1.314 29 2HG1 VAL 4 2HG1 VAL 4 -0.024 -2.617 -2.617 30 3HG1 VAL 4 3HG1 VAL 4 0.378 -0.994 -0.994 31 1HG2 VAL 4 2HG2 VAL 4 -0.578 -3.696 -3.696 32 2HG2 VAL 4 3HG2 VAL 4 0.863 -2.731 -2.731 33 3HG2 VAL 4 1HG2 VAL 4 0.245 -3.932 -3.932 34 H ASN 5 H ASN 5 -4.077 -3.291 -3.291 35 HA ASN 5 HA ASN 5 -4.392 -5.029 -5.029 36 1HB ASN 5 1HB ASN 5 -3.900 -6.390 -6.390 37 2HB ASN 5 2HB ASN 5 -4.417 -7.301 -7.301 38 1HD2 ASN 5 1HD2 ASN 5 -6.207 -7.739 -7.739 39 2HD2 ASN 5 2HD2 ASN 5 -7.581 -6.684 -6.684 40 H ASP 6 H ASP 6 -3.361 -7.650 -7.650 41 HA ASP 6 HA ASP 6 -0.502 -7.135 -7.135 42 1HB ASP 6 1HB ASP 6 -1.785 -7.352 -7.352 43 2HB ASP 6 2HB ASP 6 -2.266 -8.968 -8.968 44 H ASP 7 H ASP 7 -3.169 -9.293 -9.293 45 HA ASP 7 HA ASP 7 -1.797 -11.644 -11.644 46 1HB ASP 7 1HB ASP 7 -4.264 -10.402 -10.402 47 2HB ASP 7 2HB ASP 7 -3.592 -11.689 -11.689 48 H CYS 8 H CYS 8 -1.588 -8.619 -8.619 49 HA CYS 8 HA CYS 8 -0.977 -9.418 -9.418 50 1HB CYS 8 1HB CYS 8 -1.165 -7.158 -7.158 51 2HB CYS 8 2HB CYS 8 -0.490 -7.013 -7.013 52 H MET 9 H MET 9 1.250 -9.481 -9.481 53 HA MET 9 HA MET 9 3.087 -10.807 -10.807 54 1HB MET 9 1HB MET 9 2.344 -11.135 -11.135 55 2HB MET 9 2HB MET 9 4.005 -11.488 -11.488 56 1HG MET 9 1HG MET 9 3.442 -13.376 -13.376 57 2HG MET 9 2HG MET 9 1.962 -12.671 -12.671 58 1HE MET 9 3HE MET 9 3.786 -14.679 -14.679 59 2HE MET 9 1HE MET 9 2.488 -15.885 -15.885 60 3HE MET 9 2HE MET 9 2.953 -14.878 -14.878 61 H ALA 10 H ALA 10 3.908 -9.642 -9.642 62 HA ALA 10 HA ALA 10 4.903 -7.156 -7.156 63 1HB ALA 10 1HB ALA 10 6.575 -9.330 -9.330 64 2HB ALA 10 2HB ALA 10 7.456 -8.220 -8.220 65 3HB ALA 10 3HB ALA 10 6.601 -7.586 -7.586 66 H CYS 11 H CYS 11 3.579 -8.527 -8.527 67 HA CYS 11 HA CYS 11 5.287 -9.457 -9.457 68 1HB CYS 11 1HB CYS 11 2.730 -9.630 -9.630 69 2HB CYS 11 2HB CYS 11 2.680 -8.046 -8.046 70 H GLU 12 H GLU 12 4.367 -6.218 -6.218 71 HA GLU 12 HA GLU 12 5.196 -4.252 -4.252 72 1HB GLU 12 1HB GLU 12 7.274 -5.998 -5.998 73 2HB GLU 12 2HB GLU 12 7.155 -4.553 -4.553 74 1HG GLU 12 1HG GLU 12 8.595 -3.774 -3.774 75 2HG GLU 12 2HG GLU 12 7.062 -3.314 -3.314 76 H ALA 13 H ALA 13 3.030 -5.599 -5.599 77 HA ALA 13 HA ALA 13 3.256 -4.726 -4.726 78 1HB ALA 13 1HB ALA 13 1.626 -6.432 -6.432 79 2HB ALA 13 2HB ALA 13 0.544 -5.061 -5.061 80 3HB ALA 13 3HB ALA 13 1.347 -5.917 -5.917 81 H CYS 14 H CYS 14 1.586 -3.454 -3.454 82 HA CYS 14 HA CYS 14 0.477 -1.240 -1.240 83 1HB CYS 14 1HB CYS 14 0.321 -0.306 -0.306 84 2HB CYS 14 2HB CYS 14 -0.406 -1.883 -1.883 85 H VAL 15 H VAL 15 3.689 -1.949 -1.949 86 HA VAL 15 HA VAL 15 4.563 0.765 0.765 87 HB VAL 15 HB VAL 15 6.166 -1.794 -1.794 88 1HG1 VAL 15 3HG1 VAL 15 6.772 1.099 1.099 89 2HG1 VAL 15 1HG1 VAL 15 7.703 -0.243 -0.243 90 3HG1 VAL 15 2HG1 VAL 15 7.663 -0.021 -0.021 91 1HG2 VAL 15 2HG2 VAL 15 4.237 -1.438 -1.438 92 2HG2 VAL 15 3HG2 VAL 15 5.856 -1.866 -1.866 93 3HG2 VAL 15 1HG2 VAL 15 5.293 -0.179 -0.179 94 H GLU 16 H GLU 16 4.429 -1.970 -1.970 95 HA GLU 16 HA GLU 16 6.281 -0.696 -0.696 96 1HB GLU 16 1HB GLU 16 4.813 -3.318 -3.318 97 2HB GLU 16 2HB GLU 16 5.324 -2.740 -2.740 98 1HG GLU 16 1HG GLU 16 7.576 -2.988 -2.988 99 2HG GLU 16 2HG GLU 16 7.384 -2.553 -2.553 100 H ILE 17 H ILE 17 3.757 0.709 0.709 101 HA ILE 17 HA ILE 17 2.881 1.270 1.270 102 HB ILE 17 HB ILE 17 1.384 -0.519 -0.519 103 1HG1 ILE 17 1HG1 ILE 17 0.600 1.267 1.267 104 2HG1 ILE 17 2HG1 ILE 17 -0.709 0.593 0.593 105 1HG2 ILE 17 2HG2 ILE 17 0.816 1.325 1.325 106 2HG2 ILE 17 3HG2 ILE 17 -0.271 0.003 0.003 107 3HG2 ILE 17 1HG2 ILE 17 1.391 -0.359 -0.359 108 1HD1 ILE 17 2HD1 ILE 17 0.181 2.671 2.671 109 2HD1 ILE 17 3HD1 ILE 17 0.491 3.314 3.314 110 3HD1 ILE 17 1HD1 ILE 17 -1.152 2.804 2.804 111 H CYS 18 H CYS 18 2.581 1.916 1.916 112 HA CYS 18 HA CYS 18 2.781 4.750 4.750 113 1HB CYS 18 1HB CYS 18 0.382 3.909 3.909 114 2HB CYS 18 2HB CYS 18 0.961 3.840 3.840 115 HA PRO 19 HA PRO 19 5.804 3.496 3.496 116 1HB PRO 19 1HB PRO 19 7.940 4.840 4.840 117 2HB PRO 19 2HB PRO 19 7.577 3.170 3.170 118 1HG PRO 19 1HG PRO 19 7.172 5.583 5.583 119 2HG PRO 19 2HG PRO 19 7.220 3.904 3.904 120 1HD PRO 19 1HD PRO 19 4.882 5.537 5.537 121 2HD PRO 19 2HD PRO 19 4.924 3.829 3.829 122 H ASP 20 H ASP 20 4.012 6.048 6.048 123 HA ASP 20 HA ASP 20 5.518 7.694 7.694 124 1HB ASP 20 1HB ASP 20 4.530 8.462 8.462 125 2HB ASP 20 2HB ASP 20 3.050 8.655 8.655 126 H VAL 21 H VAL 21 2.993 5.434 5.434 127 HA VAL 21 HA VAL 21 1.575 6.627 6.627 128 HB VAL 21 HB VAL 21 0.584 4.842 4.842 129 1HG1 VAL 21 3HG1 VAL 21 -0.340 4.264 4.264 130 2HG1 VAL 21 1HG1 VAL 21 -1.044 5.899 5.899 131 3HG1 VAL 21 2HG1 VAL 21 -1.548 4.747 4.747 132 1HG2 VAL 21 2HG2 VAL 21 0.877 7.357 7.357 133 2HG2 VAL 21 3HG2 VAL 21 -0.730 6.669 6.669 134 3HG2 VAL 21 1HG2 VAL 21 -0.444 7.576 7.576 135 H PHE 22 H PHE 22 3.125 3.763 3.763 136 HA PHE 22 HA PHE 22 3.257 2.618 2.618 137 1HB PHE 22 1HB PHE 22 2.608 1.010 1.010 138 2HB PHE 22 2HB PHE 22 2.470 0.463 0.463 139 HD1 PHE 22 2HD PHE 22 0.726 1.716 1.716 140 HD2 PHE 22 1HD PHE 22 0.725 1.801 1.801 141 HE1 PHE 22 2HE PHE 22 -1.698 2.369 2.369 142 HE2 PHE 22 1HE PHE 22 -1.698 2.455 2.455 143 HZ PHE 22 HZ PHE 22 -2.881 2.730 2.730 144 H GLU 23 H GLU 23 5.318 2.002 2.002 145 HA GLU 23 HA GLU 23 6.943 1.014 1.014 146 1HB GLU 23 1HB GLU 23 7.724 3.192 3.192 147 2HB GLU 23 2HB GLU 23 7.427 3.613 3.613 148 1HG GLU 23 1HG GLU 23 9.500 1.496 1.496 149 2HG GLU 23 2HG GLU 23 9.916 3.148 3.148 150 H MET 24 H MET 24 8.571 -0.443 -0.443 151 HA MET 24 HA MET 24 8.158 -1.992 -1.992 152 1HB MET 24 1HB MET 24 11.052 -1.232 -1.232 153 2HB MET 24 2HB MET 24 10.309 -2.813 -2.813 154 1HG MET 24 1HG MET 24 9.295 -2.009 -2.009 155 2HG MET 24 2HG MET 24 10.330 -0.601 -0.601 156 1HE MET 24 1HE MET 24 12.845 -0.948 -0.948 157 2HE MET 24 2HE MET 24 13.881 -1.915 -1.915 158 3HE MET 24 3HE MET 24 12.844 -0.637 -0.637 159 H ASN 25 H ASN 25 8.628 -2.184 -2.184 160 HA ASN 25 HA ASN 25 8.657 0.250 0.250 161 1HB ASN 25 1HB ASN 25 8.570 -1.120 -1.120 162 2HB ASN 25 2HB ASN 25 7.619 -1.949 -1.949 163 1HD2 ASN 25 1HD2 ASN 25 9.495 -2.596 -2.596 164 2HD2 ASN 25 2HD2 ASN 25 10.411 -3.963 -3.963 165 H GLU 26 H GLU 26 10.425 -0.642 -0.642 166 HA GLU 26 HA GLU 26 12.804 0.488 0.488 167 1HB GLU 26 1HB GLU 26 11.652 0.106 0.106 168 2HB GLU 26 2HB GLU 26 12.862 -1.162 -1.162 169 1HG GLU 26 1HG GLU 26 14.121 1.193 1.193 170 2HG GLU 26 2HG GLU 26 13.231 1.685 1.685 171 H GLU 27 H GLU 27 11.930 -2.909 -2.909 172 HA GLU 27 HA GLU 27 14.486 -3.832 -3.832 173 1HB GLU 27 1HB GLU 27 11.979 -5.339 -5.339 174 2HB GLU 27 2HB GLU 27 13.532 -6.093 -6.093 175 1HG GLU 27 1HG GLU 27 13.868 -3.811 -3.811 176 2HG GLU 27 2HG GLU 27 12.637 -4.888 -4.888 177 H GLY 28 H GLY 28 11.784 -2.793 -2.793 178 1HA GLY 28 1HA GLY 28 11.068 -3.032 -3.032 179 2HA GLY 28 2HA GLY 28 12.612 -3.775 -3.775 180 H ASP 29 H ASP 29 10.336 -5.057 -5.057 181 HA ASP 29 HA ASP 29 9.998 -7.357 -7.357 182 1HB ASP 29 1HB ASP 29 10.969 -7.236 -7.236 183 2HB ASP 29 2HB ASP 29 9.285 -7.638 -7.638 184 H LYS 30 H LYS 30 8.500 -4.605 -4.605 185 HA LYS 30 HA LYS 30 5.864 -5.729 -5.729 186 1HB LYS 30 1HB LYS 30 6.748 -4.443 -4.443 187 2HB LYS 30 2HB LYS 30 5.078 -4.353 -4.353 188 1HG LYS 30 1HG LYS 30 5.363 -6.981 -6.981 189 2HG LYS 30 2HG LYS 30 6.698 -6.794 -6.794 190 1HD LYS 30 1HD LYS 30 4.255 -5.387 -5.387 191 2HD LYS 30 2HD LYS 30 4.005 -7.110 -7.110 192 1HE LYS 30 1HE LYS 30 6.519 -6.248 -6.248 193 2HE LYS 30 2HE LYS 30 4.980 -6.078 -6.078 194 1HZ LYS 30 1HZ LYS 30 5.036 -8.284 -8.284 195 2HZ LYS 30 2HZ LYS 30 5.116 -8.605 -8.605 196 H ALA 31 H ALA 31 4.683 -4.420 -4.420 197 HA ALA 31 HA ALA 31 5.885 -2.064 -2.064 198 1HB ALA 31 1HB ALA 31 3.120 -3.296 -3.296 199 2HB ALA 31 2HB ALA 31 3.691 -1.886 -1.886 200 3HB ALA 31 3HB ALA 31 4.505 -3.458 -3.458 201 H VAL 32 H VAL 32 6.224 -0.502 -0.502 202 HA VAL 32 HA VAL 32 4.139 0.150 0.150 203 HB VAL 32 HB VAL 32 6.683 0.256 0.256 204 1HG1 VAL 32 3HG1 VAL 32 6.288 2.365 2.365 205 2HG1 VAL 32 1HG1 VAL 32 7.133 2.947 2.947 206 3HG1 VAL 32 2HG1 VAL 32 7.784 1.565 1.565 207 1HG2 VAL 32 1HG2 VAL 32 4.531 1.721 1.721 208 2HG2 VAL 32 2HG2 VAL 32 6.081 1.265 1.265 209 3HG2 VAL 32 3HG2 VAL 32 5.927 2.820 2.820 210 H VAL 33 H VAL 33 3.245 2.409 2.409 211 HA VAL 33 HA VAL 33 2.502 3.301 3.301 212 HB VAL 33 HB VAL 33 1.341 3.801 3.801 213 1HG1 VAL 33 1HG1 VAL 33 1.163 5.515 5.515 214 2HG1 VAL 33 2HG1 VAL 33 -0.320 4.539 4.539 215 3HG1 VAL 33 3HG1 VAL 33 0.033 5.437 5.437 216 1HG2 VAL 33 3HG2 VAL 33 0.963 1.533 1.533 217 2HG2 VAL 33 1HG2 VAL 33 -0.552 2.467 2.467 218 3HG2 VAL 33 2HG2 VAL 33 0.293 2.209 2.209 219 H ILE 34 H ILE 34 2.979 5.343 5.343 220 HA ILE 34 HA ILE 34 4.710 6.946 6.946 221 HB ILE 34 HB ILE 34 5.028 7.697 7.697 222 1HG1 ILE 34 1HG1 ILE 34 5.360 4.705 4.705 223 2HG1 ILE 34 2HG1 ILE 34 4.016 5.473 5.473 224 1HG2 ILE 34 1HG2 ILE 34 6.653 6.574 6.574 225 2HG2 ILE 34 2HG2 ILE 34 7.320 6.422 6.422 226 3HG2 ILE 34 3HG2 ILE 34 6.904 8.028 8.028 227 1HD1 ILE 34 3HD1 ILE 34 5.861 6.652 6.652 228 2HD1 ILE 34 1HD1 ILE 34 6.989 5.492 5.492 229 3HD1 ILE 34 2HD1 ILE 34 5.648 4.906 4.906 230 H ASN 35 H ASN 35 1.786 6.787 6.787 231 HA ASN 35 HA ASN 35 1.429 9.640 9.640 232 1HB ASN 35 1HB ASN 35 1.323 8.565 8.565 233 2HB ASN 35 2HB ASN 35 -0.246 7.966 7.966 234 1HD2 ASN 35 1HD2 ASN 35 0.447 9.879 9.879 235 2HD2 ASN 35 2HD2 ASN 35 -0.390 11.355 11.355 236 HA PRO 36 HA PRO 36 -1.537 7.610 7.610 237 1HB PRO 36 1HB PRO 36 -1.391 9.419 9.419 238 2HB PRO 36 2HB PRO 36 -0.377 7.991 7.991 239 1HG PRO 36 1HG PRO 36 0.339 10.809 10.809 240 2HG PRO 36 2HG PRO 36 1.396 9.451 9.451 241 1HD PRO 36 1HD PRO 36 0.891 10.655 10.655 242 2HD PRO 36 2HD PRO 36 1.856 9.225 9.225 243 H ASP 37 H ASP 37 -2.006 9.422 9.422 244 HA ASP 37 HA ASP 37 -4.658 9.974 9.974 245 1HB ASP 37 1HB ASP 37 -3.662 11.901 11.901 246 2HB ASP 37 2HB ASP 37 -2.767 12.360 12.360 247 H SER 38 H SER 38 -3.020 8.609 8.609 248 HA SER 38 HA SER 38 -2.509 10.014 10.014 249 1HB SER 38 1HB SER 38 -1.893 7.674 7.674 250 2HB SER 38 2HB SER 38 -3.570 7.181 7.181 251 HG SER 38 HG SER 38 -2.313 8.368 8.368 252 H ASP 39 H ASP 39 -5.217 7.737 7.737 253 HA ASP 39 HA ASP 39 -7.188 7.928 7.928 254 1HB ASP 39 1HB ASP 39 -7.155 9.807 9.807 255 2HB ASP 39 2HB ASP 39 -7.668 10.783 10.783 256 H LEU 40 H LEU 40 -4.665 9.040 9.040 257 HA LEU 40 HA LEU 40 -5.840 11.066 11.066 258 1HB LEU 40 1HB LEU 40 -3.613 11.461 11.461 259 2HB LEU 40 2HB LEU 40 -3.643 11.486 11.486 260 HG LEU 40 HG LEU 40 -2.970 8.868 8.868 261 1HD1 LEU 40 3HD1 LEU 40 -1.798 10.590 10.590 262 2HD1 LEU 40 1HD1 LEU 40 -1.055 9.065 9.065 263 3HD1 LEU 40 2HD1 LEU 40 -2.696 9.062 9.062 264 1HD2 LEU 40 3HD2 LEU 40 -1.976 10.406 10.406 265 2HD2 LEU 40 1HD2 LEU 40 -0.753 9.473 9.473 266 3HD2 LEU 40 2HD2 LEU 40 -1.045 11.181 11.181 267 H ASP 41 H ASP 41 -6.631 8.118 8.118 268 HA ASP 41 HA ASP 41 -7.506 6.887 6.887 269 1HB ASP 41 1HB ASP 41 -6.876 8.886 8.886 270 2HB ASP 41 2HB ASP 41 -5.495 7.898 7.898 271 H CYS 42 H CYS 42 -3.969 7.520 7.520 272 HA CYS 42 HA CYS 42 -2.866 5.365 5.365 273 1HB CYS 42 1HB CYS 42 -2.099 7.284 7.284 274 2HB CYS 42 2HB CYS 42 -1.624 5.724 5.724 275 H VAL 43 H VAL 43 -4.717 5.549 5.549 276 HA VAL 43 HA VAL 43 -4.073 2.937 2.937 277 HB VAL 43 HB VAL 43 -6.585 4.411 4.411 278 1HG1 VAL 43 2HG1 VAL 43 -5.276 2.115 2.115 279 2HG1 VAL 43 3HG1 VAL 43 -4.971 3.380 3.380 280 3HG1 VAL 43 1HG1 VAL 43 -6.641 2.978 2.978 281 1HG2 VAL 43 3HG2 VAL 43 -3.769 5.305 5.305 282 2HG2 VAL 43 1HG2 VAL 43 -5.257 6.259 6.259 283 3HG2 VAL 43 2HG2 VAL 43 -4.917 5.474 5.474 284 H GLU 44 H GLU 44 -6.867 4.386 4.386 285 HA GLU 44 HA GLU 44 -8.340 2.073 2.073 286 1HB GLU 44 1HB GLU 44 -9.727 3.283 3.283 287 2HB GLU 44 2HB GLU 44 -8.806 4.605 4.605 288 1HG GLU 44 1HG GLU 44 -8.469 5.151 5.151 289 2HG GLU 44 2HG GLU 44 -7.157 3.998 3.998 290 H GLU 45 H GLU 45 -5.444 3.106 3.106 291 HA GLU 45 HA GLU 45 -5.818 0.956 0.956 292 1HB GLU 45 1HB GLU 45 -3.793 1.982 1.982 293 2HB GLU 45 2HB GLU 45 -5.180 3.047 3.047 294 1HG GLU 45 1HG GLU 45 -4.225 4.198 4.198 295 2HG GLU 45 2HG GLU 45 -2.900 3.054 3.054 296 H ALA 46 H ALA 46 -4.332 1.645 1.645 297 HA ALA 46 HA ALA 46 -2.171 -0.260 -0.260 298 1HB ALA 46 3HB ALA 46 -2.937 1.534 1.534 299 2HB ALA 46 1HB ALA 46 -1.511 0.471 0.471 300 3HB ALA 46 2HB ALA 46 -1.643 1.827 1.827 301 H ILE 47 H ILE 47 -5.437 -0.019 -0.019 302 HA ILE 47 HA ILE 47 -5.132 -2.384 -2.384 303 HB ILE 47 HB ILE 47 -7.354 -0.435 -0.435 304 1HG1 ILE 47 1HG1 ILE 47 -6.370 -1.222 -1.222 305 2HG1 ILE 47 2HG1 ILE 47 -5.345 -0.174 -0.174 306 1HG2 ILE 47 1HG2 ILE 47 -7.576 -3.234 -3.234 307 2HG2 ILE 47 2HG2 ILE 47 -8.371 -2.045 -2.045 308 3HG2 ILE 47 3HG2 ILE 47 -8.805 -2.130 -2.130 309 1HD1 ILE 47 1HD1 ILE 47 -8.297 0.388 0.388 310 2HD1 ILE 47 2HD1 ILE 47 -7.043 0.947 0.947 311 3HD1 ILE 47 3HD1 ILE 47 -7.034 1.514 1.514 312 H ASP 48 H ASP 48 -6.595 -1.326 -1.326 313 HA ASP 48 HA ASP 48 -7.949 -3.677 -3.677 314 1HB ASP 48 1HB ASP 48 -7.544 -1.232 -1.232 315 2HB ASP 48 2HB ASP 48 -6.741 -2.351 -2.351 316 H SER 49 H SER 49 -4.540 -2.746 -2.746 317 HA SER 49 HA SER 49 -3.878 -4.946 -4.946 318 1HB SER 49 1HB SER 49 -2.529 -2.531 -2.531 319 2HB SER 49 2HB SER 49 -1.481 -3.933 -3.933 320 HG SER 49 HG SER 49 -3.014 -3.689 -3.689 321 H CYS 50 H CYS 50 -4.398 -4.356 -4.356 322 HA CYS 50 HA CYS 50 -2.489 -6.306 -6.306 323 1HB CYS 50 1HB CYS 50 -2.864 -4.427 -4.427 324 2HB CYS 50 2HB CYS 50 -4.599 -4.666 -4.666 325 HA PRO 51 HA PRO 51 -5.528 -9.420 -9.420 326 1HB PRO 51 1HB PRO 51 -3.890 -11.579 -11.579 327 2HB PRO 51 2HB PRO 51 -4.051 -10.739 -10.739 328 1HG PRO 51 1HG PRO 51 -1.826 -10.639 -10.639 329 2HG PRO 51 2HG PRO 51 -1.832 -10.165 -10.165 330 1HD PRO 51 1HD PRO 51 -1.926 -8.418 -8.418 331 2HD PRO 51 2HD PRO 51 -2.048 -7.953 -7.953 332 H ALA 52 H ALA 52 -3.456 -9.256 -9.256 333 HA ALA 52 HA ALA 52 -5.168 -11.023 -11.023 334 1HB ALA 52 2HB ALA 52 -2.605 -10.698 -10.698 335 2HB ALA 52 3HB ALA 52 -3.001 -9.215 -9.215 336 3HB ALA 52 1HB ALA 52 -3.550 -10.797 -10.797 337 H GLU 53 H GLU 53 -5.387 -7.831 -7.831 338 HA GLU 53 HA GLU 53 -6.298 -5.978 -5.978 339 1HB GLU 53 1HB GLU 53 -8.728 -6.258 -6.258 340 2HB GLU 53 2HB GLU 53 -8.168 -7.256 -7.256 341 1HG GLU 53 1HG GLU 53 -8.454 -9.252 -9.252 342 2HG GLU 53 2HG GLU 53 -8.173 -8.501 -8.501 343 H ALA 54 H ALA 54 -4.503 -6.769 -6.769 344 HA ALA 54 HA ALA 54 -5.886 -6.938 -6.938 345 1HB ALA 54 1HB ALA 54 -3.187 -7.382 -7.382 346 2HB ALA 54 2HB ALA 54 -3.177 -6.517 -6.517 347 3HB ALA 54 3HB ALA 54 -3.982 -8.099 -8.099 348 H ILE 55 H ILE 55 -4.679 -4.511 -4.511 349 HA ILE 55 HA ILE 55 -4.484 -2.531 -2.531 350 HB ILE 55 HB ILE 55 -3.936 -1.085 -1.085 351 1HG1 ILE 55 1HG1 ILE 55 -3.067 -3.708 -3.708 352 2HG1 ILE 55 2HG1 ILE 55 -4.709 -3.099 -3.099 353 1HG2 ILE 55 1HG2 ILE 55 -2.226 -3.125 -3.125 354 2HG2 ILE 55 2HG2 ILE 55 -1.546 -2.132 -2.132 355 3HG2 ILE 55 3HG2 ILE 55 -2.224 -1.350 -1.350 356 1HD1 ILE 55 1HD1 ILE 55 -3.487 -0.878 -0.878 357 2HD1 ILE 55 2HD1 ILE 55 -2.021 -1.886 -1.886 358 3HD1 ILE 55 3HD1 ILE 55 -3.401 -2.245 -2.245 359 H VAL 56 H VAL 56 -6.067 -1.079 -1.079 360 HA VAL 56 HA VAL 56 -8.177 -0.660 -0.660 361 HB VAL 56 HB VAL 56 -9.831 -0.933 -0.933 362 1HG1 VAL 56 2HG1 VAL 56 -9.592 -2.425 -2.425 363 2HG1 VAL 56 3HG1 VAL 56 -8.538 -3.473 -3.473 364 3HG1 VAL 56 1HG1 VAL 56 -10.237 -3.226 -3.226 365 1HG2 VAL 56 3HG2 VAL 56 -7.392 -2.310 -2.310 366 2HG2 VAL 56 1HG2 VAL 56 -8.498 -1.159 -1.159 367 3HG2 VAL 56 2HG2 VAL 56 -9.035 -2.823 -2.823 368 H ARG 57 H ARG 57 -9.850 0.984 0.984 369 HA ARG 57 HA ARG 57 -8.034 2.967 2.967 370 1HB ARG 57 1HB ARG 57 -9.588 4.709 4.709 371 2HB ARG 57 2HB ARG 57 -8.644 3.779 3.779 372 1HG ARG 57 1HG ARG 57 -10.548 2.323 2.323 373 2HG ARG 57 2HG ARG 57 -11.492 3.029 3.029 374 1HD ARG 57 1HD ARG 57 -10.431 4.731 4.731 375 2HD ARG 57 2HD ARG 57 -11.951 3.870 3.870 376 HE ARG 57 HE ARG 57 -11.448 6.263 6.263 377 1HH1 ARG 57 2HH2 ARG 57 -13.466 3.355 3.355 378 2HH1 ARG 57 1HH2 ARG 57 -14.766 4.050 4.050 379 1HH2 ARG 57 2HH1 ARG 57 -13.143 7.153 7.153 380 2HH2 ARG 57 1HH1 ARG 57 -14.567 6.300 6.300 381 H SER 58 H SER 58 -9.336 1.114 1.114 382 HA SER 58 HA SER 58 -11.818 1.419 1.419 383 1HB SER 58 1HB SER 58 -9.253 0.863 0.863 384 2HB SER 58 2HB SER 58 -10.531 1.403 1.403 385 HG SER 58 HG SER 58 -11.121 -0.619 -0.619 Start of MODEL 7 1 HA PRO 1 HA PRO 1 -7.559 5.837 5.837 2 1HB PRO 1 1HB PRO 1 -6.546 7.104 7.104 3 2HB PRO 1 2HB PRO 1 -7.319 7.953 7.953 4 1HG PRO 1 1HG PRO 1 -4.443 7.767 7.767 5 2HG PRO 1 2HG PRO 1 -5.262 8.924 8.924 6 1HD PRO 1 1HD PRO 1 -3.689 6.681 6.681 7 2HD PRO 1 2HD PRO 1 -4.603 7.770 7.770 8 H ILE 2 H ILE 2 -4.354 5.224 5.224 9 HA ILE 2 HA ILE 2 -5.559 2.873 2.873 10 HB ILE 2 HB ILE 2 -4.210 3.150 3.150 11 1HG1 ILE 2 1HG1 ILE 2 -2.097 3.501 3.501 12 2HG1 ILE 2 2HG1 ILE 2 -2.254 4.550 4.550 13 1HG2 ILE 2 3HG2 ILE 2 -5.128 5.858 5.858 14 2HG2 ILE 2 1HG2 ILE 2 -4.453 5.595 5.595 15 3HG2 ILE 2 2HG2 ILE 2 -5.938 4.747 4.747 16 1HD1 ILE 2 3HD1 ILE 2 -3.250 6.265 6.265 17 2HD1 ILE 2 1HD1 ILE 2 -2.468 5.222 5.222 18 3HD1 ILE 2 2HD1 ILE 2 -1.489 6.010 6.010 19 H GLU 3 H GLU 3 -4.897 0.958 0.958 20 HA GLU 3 HA GLU 3 -2.181 0.625 0.625 21 1HB GLU 3 1HB GLU 3 -3.799 -0.212 -0.212 22 2HB GLU 3 2HB GLU 3 -2.296 0.689 0.689 23 1HG GLU 3 1HG GLU 3 -3.471 2.785 2.785 24 2HG GLU 3 2HG GLU 3 -4.988 1.949 1.949 25 H VAL 4 H VAL 4 -2.130 -1.768 -1.768 26 HA VAL 4 HA VAL 4 -4.041 -3.456 -3.456 27 HB VAL 4 HB VAL 4 -2.219 -4.995 -4.995 28 1HG1 VAL 4 2HG1 VAL 4 -2.456 -2.266 -2.266 29 2HG1 VAL 4 3HG1 VAL 4 -0.915 -3.072 -3.072 30 3HG1 VAL 4 1HG1 VAL 4 -2.456 -3.838 -3.838 31 1HG2 VAL 4 1HG2 VAL 4 -0.783 -3.749 -3.749 32 2HG2 VAL 4 2HG2 VAL 4 -0.080 -4.793 -4.793 33 3HG2 VAL 4 3HG2 VAL 4 -0.068 -3.025 -3.025 34 H ASN 5 H ASN 5 -2.909 -5.924 -5.924 35 HA ASN 5 HA ASN 5 -3.398 -5.555 -5.555 36 1HB ASN 5 1HB ASN 5 -3.885 -8.252 -8.252 37 2HB ASN 5 2HB ASN 5 -4.815 -7.402 -7.402 38 1HD2 ASN 5 1HD2 ASN 5 -4.388 -8.093 -8.093 39 2HD2 ASN 5 2HD2 ASN 5 -5.745 -7.226 -7.226 40 H ASP 6 H ASP 6 -2.807 -8.407 -8.407 41 HA ASP 6 HA ASP 6 0.065 -8.253 -8.253 42 1HB ASP 6 1HB ASP 6 -0.732 -8.509 -8.509 43 2HB ASP 6 2HB ASP 6 -1.731 -9.877 -9.877 44 H ASP 7 H ASP 7 -2.323 -9.337 -9.337 45 HA ASP 7 HA ASP 7 -1.468 -12.081 -12.081 46 1HB ASP 7 1HB ASP 7 -3.930 -10.979 -10.979 47 2HB ASP 7 2HB ASP 7 -3.448 -10.807 -10.807 48 H CYS 8 H CYS 8 -1.402 -8.896 -8.896 49 HA CYS 8 HA CYS 8 -0.701 -9.603 -9.603 50 1HB CYS 8 1HB CYS 8 -1.023 -7.352 -7.352 51 2HB CYS 8 2HB CYS 8 -0.273 -7.216 -7.216 52 H MET 9 H MET 9 1.500 -9.609 -9.609 53 HA MET 9 HA MET 9 3.384 -10.915 -10.915 54 1HB MET 9 1HB MET 9 2.724 -11.052 -11.052 55 2HB MET 9 2HB MET 9 4.382 -11.387 -11.387 56 1HG MET 9 1HG MET 9 3.808 -13.313 -13.313 57 2HG MET 9 2HG MET 9 2.178 -12.756 -12.756 58 1HE MET 9 1HE MET 9 2.329 -15.355 -15.355 59 2HE MET 9 2HE MET 9 1.672 -15.983 -15.983 60 3HE MET 9 3HE MET 9 3.430 -15.804 -15.804 61 H ALA 10 H ALA 10 4.240 -9.502 -9.502 62 HA ALA 10 HA ALA 10 5.092 -7.015 -7.015 63 1HB ALA 10 1HB ALA 10 6.662 -9.004 -9.004 64 2HB ALA 10 2HB ALA 10 7.685 -8.234 -8.234 65 3HB ALA 10 3HB ALA 10 6.880 -7.237 -7.237 66 H CYS 11 H CYS 11 3.979 -8.394 -8.394 67 HA CYS 11 HA CYS 11 5.936 -9.079 -9.079 68 1HB CYS 11 1HB CYS 11 3.265 -9.420 -9.420 69 2HB CYS 11 2HB CYS 11 3.311 -8.065 -8.065 70 H GLU 12 H GLU 12 4.465 -6.061 -6.061 71 HA GLU 12 HA GLU 12 4.956 -3.975 -3.975 72 1HB GLU 12 1HB GLU 12 7.244 -4.974 -4.974 73 2HB GLU 12 2HB GLU 12 7.047 -3.325 -3.325 74 1HG GLU 12 1HG GLU 12 7.413 -3.929 -3.929 75 2HG GLU 12 2HG GLU 12 7.134 -5.631 -5.631 76 H ALA 13 H ALA 13 3.074 -5.509 -5.509 77 HA ALA 13 HA ALA 13 3.343 -4.690 -4.690 78 1HB ALA 13 2HB ALA 13 1.520 -6.226 -6.226 79 2HB ALA 13 3HB ALA 13 0.630 -5.187 -5.187 80 3HB ALA 13 1HB ALA 13 1.828 -6.353 -6.353 81 H CYS 14 H CYS 14 1.451 -3.473 -3.473 82 HA CYS 14 HA CYS 14 0.201 -1.412 -1.412 83 1HB CYS 14 1HB CYS 14 -0.118 -0.413 -0.413 84 2HB CYS 14 2HB CYS 14 -0.698 -2.056 -2.056 85 H VAL 15 H VAL 15 3.415 -1.792 -1.792 86 HA VAL 15 HA VAL 15 4.054 0.983 0.983 87 HB VAL 15 HB VAL 15 5.773 -1.485 -1.485 88 1HG1 VAL 15 3HG1 VAL 15 6.401 1.440 1.440 89 2HG1 VAL 15 1HG1 VAL 15 7.435 0.067 0.067 90 3HG1 VAL 15 2HG1 VAL 15 7.119 0.407 0.407 91 1HG2 VAL 15 3HG2 VAL 15 3.852 -0.348 -0.348 92 2HG2 VAL 15 1HG2 VAL 15 5.051 -1.611 -1.611 93 3HG2 VAL 15 2HG2 VAL 15 5.446 0.102 0.102 94 H GLU 16 H GLU 16 4.221 -1.803 -1.803 95 HA GLU 16 HA GLU 16 6.015 -0.439 -0.439 96 1HB GLU 16 1HB GLU 16 4.676 -3.132 -3.132 97 2HB GLU 16 2HB GLU 16 5.212 -2.544 -2.544 98 1HG GLU 16 1HG GLU 16 7.035 -2.582 -2.582 99 2HG GLU 16 2HG GLU 16 6.913 -3.939 -3.939 100 H ILE 17 H ILE 17 3.670 1.090 1.090 101 HA ILE 17 HA ILE 17 2.806 1.593 1.593 102 HB ILE 17 HB ILE 17 1.456 -0.446 -0.446 103 1HG1 ILE 17 1HG1 ILE 17 0.843 0.862 0.862 104 2HG1 ILE 17 2HG1 ILE 17 -0.633 0.491 0.491 105 1HG2 ILE 17 2HG2 ILE 17 0.259 1.607 1.607 106 2HG2 ILE 17 3HG2 ILE 17 -0.612 0.147 0.147 107 3HG2 ILE 17 1HG2 ILE 17 0.908 -0.004 -0.004 108 1HD1 ILE 17 3HD1 ILE 17 -0.049 2.845 2.845 109 2HD1 ILE 17 1HD1 ILE 17 0.825 3.096 3.096 110 3HD1 ILE 17 2HD1 ILE 17 -0.924 2.762 2.762 111 H CYS 18 H CYS 18 2.260 1.952 1.952 112 HA CYS 18 HA CYS 18 2.124 4.827 4.827 113 1HB CYS 18 1HB CYS 18 -0.148 3.540 3.540 114 2HB CYS 18 2HB CYS 18 0.414 3.670 3.670 115 HA PRO 19 HA PRO 19 5.148 3.574 3.574 116 1HB PRO 19 1HB PRO 19 7.347 4.790 4.790 117 2HB PRO 19 2HB PRO 19 6.948 3.108 3.108 118 1HG PRO 19 1HG PRO 19 6.652 5.413 5.413 119 2HG PRO 19 2HG PRO 19 6.668 3.704 3.704 120 1HD PRO 19 1HD PRO 19 4.367 5.413 5.413 121 2HD PRO 19 2HD PRO 19 4.373 3.682 3.682 122 H ASP 20 H ASP 20 3.544 6.213 6.213 123 HA ASP 20 HA ASP 20 5.045 7.972 7.972 124 1HB ASP 20 1HB ASP 20 3.546 8.344 8.344 125 2HB ASP 20 2HB ASP 20 2.488 8.970 8.970 126 H VAL 21 H VAL 21 2.529 5.664 5.664 127 HA VAL 21 HA VAL 21 1.348 6.979 6.979 128 HB VAL 21 HB VAL 21 0.075 5.173 5.173 129 1HG1 VAL 21 3HG1 VAL 21 -0.962 6.188 6.188 130 2HG1 VAL 21 1HG1 VAL 21 -2.037 5.643 5.643 131 3HG1 VAL 21 2HG1 VAL 21 -0.871 4.510 4.510 132 1HG2 VAL 21 1HG2 VAL 21 0.452 7.909 7.909 133 2HG2 VAL 21 2HG2 VAL 21 -0.795 7.006 7.006 134 3HG2 VAL 21 3HG2 VAL 21 -1.187 7.751 7.751 135 H PHE 22 H PHE 22 2.660 4.038 4.038 136 HA PHE 22 HA PHE 22 2.847 2.883 2.883 137 1HB PHE 22 1HB PHE 22 2.334 1.352 1.352 138 2HB PHE 22 2HB PHE 22 2.199 0.718 0.718 139 HD1 PHE 22 2HD PHE 22 0.377 1.816 1.816 140 HD2 PHE 22 1HD PHE 22 0.432 2.108 2.108 141 HE1 PHE 22 2HE PHE 22 -2.074 2.356 2.356 142 HE2 PHE 22 1HE PHE 22 -2.018 2.647 2.647 143 HZ PHE 22 HZ PHE 22 -3.244 2.765 2.765 144 H GLU 23 H GLU 23 4.912 2.337 2.337 145 HA GLU 23 HA GLU 23 6.676 1.626 1.626 146 1HB GLU 23 1HB GLU 23 7.382 3.848 3.848 147 2HB GLU 23 2HB GLU 23 7.046 3.883 3.883 148 1HG GLU 23 1HG GLU 23 9.440 3.819 3.819 149 2HG GLU 23 2HG GLU 23 8.962 2.214 2.214 150 H MET 24 H MET 24 8.494 0.260 0.260 151 HA MET 24 HA MET 24 7.828 -1.659 -1.659 152 1HB MET 24 1HB MET 24 10.719 -0.840 -0.840 153 2HB MET 24 2HB MET 24 10.097 -2.461 -2.461 154 1HG MET 24 1HG MET 24 9.969 -2.611 -2.611 155 2HG MET 24 2HG MET 24 8.591 -1.533 -1.533 156 1HE MET 24 3HE MET 24 11.460 -2.313 -2.313 157 2HE MET 24 1HE MET 24 12.317 -0.840 -0.840 158 3HE MET 24 2HE MET 24 12.642 -1.550 -1.550 159 H ASN 25 H ASN 25 8.628 -2.248 -2.248 160 HA ASN 25 HA ASN 25 8.527 -0.159 -0.159 161 1HB ASN 25 1HB ASN 25 8.215 -2.761 -2.761 162 2HB ASN 25 2HB ASN 25 9.946 -2.788 -2.788 163 1HD2 ASN 25 1HD2 ASN 25 10.385 -2.888 -2.888 164 2HD2 ASN 25 2HD2 ASN 25 9.617 -2.020 -2.020 165 H GLU 26 H GLU 26 10.919 -1.402 -1.402 166 HA GLU 26 HA GLU 26 12.842 0.471 0.471 167 1HB GLU 26 1HB GLU 26 12.109 -0.254 -0.254 168 2HB GLU 26 2HB GLU 26 13.514 -1.282 -1.282 169 1HG GLU 26 1HG GLU 26 14.280 1.254 1.254 170 2HG GLU 26 2HG GLU 26 13.395 1.607 1.607 171 H GLU 27 H GLU 27 12.157 -2.948 -2.948 172 HA GLU 27 HA GLU 27 14.661 -3.286 -3.286 173 1HB GLU 27 1HB GLU 27 13.773 -5.529 -5.529 174 2HB GLU 27 2HB GLU 27 15.378 -5.160 -5.160 175 1HG GLU 27 1HG GLU 27 15.329 -3.046 -3.046 176 2HG GLU 27 2HG GLU 27 13.838 -3.641 -3.641 177 H GLY 28 H GLY 28 11.505 -3.121 -3.121 178 1HA GLY 28 1HA GLY 28 10.143 -3.880 -3.880 179 2HA GLY 28 2HA GLY 28 11.394 -4.985 -4.985 180 H ASP 29 H ASP 29 10.786 -5.162 -5.162 181 HA ASP 29 HA ASP 29 10.058 -7.800 -7.800 182 1HB ASP 29 1HB ASP 29 10.742 -6.030 -6.030 183 2HB ASP 29 2HB ASP 29 9.024 -6.165 -6.165 184 H LYS 30 H LYS 30 8.253 -4.928 -4.928 185 HA LYS 30 HA LYS 30 5.947 -6.273 -6.273 186 1HB LYS 30 1HB LYS 30 6.085 -5.949 -5.949 187 2HB LYS 30 2HB LYS 30 4.915 -4.778 -4.778 188 1HG LYS 30 1HG LYS 30 3.593 -6.478 -6.478 189 2HG LYS 30 2HG LYS 30 4.865 -7.674 -7.674 190 1HD LYS 30 1HD LYS 30 3.826 -6.428 -6.428 191 2HD LYS 30 2HD LYS 30 2.775 -7.560 -7.560 192 1HE LYS 30 1HE LYS 30 3.946 -9.271 -9.271 193 2HE LYS 30 2HE LYS 30 5.386 -8.742 -8.742 194 1HZ LYS 30 1HZ LYS 30 5.073 -8.730 -8.730 195 2HZ LYS 30 2HZ LYS 30 6.242 -7.936 -7.936 196 H ALA 31 H ALA 31 4.228 -4.727 -4.727 197 HA ALA 31 HA ALA 31 5.498 -2.371 -2.371 198 1HB ALA 31 2HB ALA 31 3.667 -4.063 -4.063 199 2HB ALA 31 3HB ALA 31 2.559 -2.869 -2.869 200 3HB ALA 31 1HB ALA 31 3.753 -2.357 -2.357 201 H VAL 32 H VAL 32 5.696 -0.530 -0.530 202 HA VAL 32 HA VAL 32 3.752 -0.074 -0.074 203 HB VAL 32 HB VAL 32 6.205 -0.097 -0.097 204 1HG1 VAL 32 1HG1 VAL 32 6.128 2.095 2.095 205 2HG1 VAL 32 2HG1 VAL 32 7.236 2.281 2.281 206 3HG1 VAL 32 3HG1 VAL 32 7.375 0.863 0.863 207 1HG2 VAL 32 2HG2 VAL 32 4.407 1.200 1.200 208 2HG2 VAL 32 3HG2 VAL 32 6.111 1.643 1.643 209 3HG2 VAL 32 1HG2 VAL 32 5.078 2.654 2.654 210 H VAL 33 H VAL 33 3.016 2.253 2.253 211 HA VAL 33 HA VAL 33 2.226 3.254 3.254 212 HB VAL 33 HB VAL 33 1.257 3.933 3.933 213 1HG1 VAL 33 2HG1 VAL 33 0.992 5.614 5.614 214 2HG1 VAL 33 3HG1 VAL 33 -0.269 4.481 4.481 215 3HG1 VAL 33 1HG1 VAL 33 -0.398 5.260 5.260 216 1HG2 VAL 33 1HG2 VAL 33 0.863 1.555 1.555 217 2HG2 VAL 33 2HG2 VAL 33 -0.605 2.489 2.489 218 3HG2 VAL 33 3HG2 VAL 33 -0.130 2.220 2.220 219 H ILE 34 H ILE 34 2.563 5.439 5.439 220 HA ILE 34 HA ILE 34 4.591 6.818 6.818 221 HB ILE 34 HB ILE 34 4.676 7.544 7.544 222 1HG1 ILE 34 1HG1 ILE 34 5.211 4.609 4.609 223 2HG1 ILE 34 2HG1 ILE 34 3.765 5.233 5.233 224 1HG2 ILE 34 1HG2 ILE 34 6.379 7.513 7.513 225 2HG2 ILE 34 2HG2 ILE 34 6.913 6.051 6.051 226 3HG2 ILE 34 3HG2 ILE 34 6.892 7.623 7.623 227 1HD1 ILE 34 3HD1 ILE 34 6.668 5.641 5.641 228 2HD1 ILE 34 1HD1 ILE 34 5.510 4.516 4.516 229 3HD1 ILE 34 2HD1 ILE 34 5.242 6.272 6.272 230 H ASN 35 H ASN 35 1.661 6.979 6.979 231 HA ASN 35 HA ASN 35 1.394 9.748 9.748 232 1HB ASN 35 1HB ASN 35 1.389 8.826 8.826 233 2HB ASN 35 2HB ASN 35 -0.323 8.743 8.743 234 1HD2 ASN 35 1HD2 ASN 35 1.319 10.504 10.504 235 2HD2 ASN 35 2HD2 ASN 35 0.912 12.132 12.132 236 HA PRO 36 HA PRO 36 -1.913 7.304 7.304 237 1HB PRO 36 1HB PRO 36 -1.706 8.372 8.372 238 2HB PRO 36 2HB PRO 36 -0.870 6.912 6.912 239 1HG PRO 36 1HG PRO 36 0.223 9.631 9.631 240 2HG PRO 36 2HG PRO 36 1.079 8.103 8.103 241 1HD PRO 36 1HD PRO 36 0.921 10.079 10.079 242 2HD PRO 36 2HD PRO 36 1.679 8.503 8.503 243 H ASP 37 H ASP 37 -2.219 9.502 9.502 244 HA ASP 37 HA ASP 37 -4.740 10.238 10.238 245 1HB ASP 37 1HB ASP 37 -3.852 11.476 11.476 246 2HB ASP 37 2HB ASP 37 -2.674 12.289 12.289 247 H SER 38 H SER 38 -3.216 9.496 9.496 248 HA SER 38 HA SER 38 -2.352 11.729 11.729 249 1HB SER 38 1HB SER 38 -2.129 8.980 8.980 250 2HB SER 38 2HB SER 38 -3.241 9.356 9.356 251 HG SER 38 HG SER 38 -1.277 9.637 9.637 252 H ASP 39 H ASP 39 -3.562 11.338 11.338 253 HA ASP 39 HA ASP 39 -6.349 11.340 11.340 254 1HB ASP 39 1HB ASP 39 -6.899 13.632 13.632 255 2HB ASP 39 2HB ASP 39 -5.667 13.629 13.629 256 H LEU 40 H LEU 40 -4.138 10.167 10.167 257 HA LEU 40 HA LEU 40 -4.315 11.517 11.517 258 1HB LEU 40 1HB LEU 40 -2.709 9.329 9.329 259 2HB LEU 40 2HB LEU 40 -2.179 10.964 10.964 260 HG LEU 40 HG LEU 40 -2.201 10.404 10.404 261 1HD1 LEU 40 2HD1 LEU 40 -3.781 8.357 8.357 262 2HD1 LEU 40 3HD1 LEU 40 -2.233 7.495 7.495 263 3HD1 LEU 40 1HD1 LEU 40 -2.627 8.316 8.316 264 1HD2 LEU 40 2HD2 LEU 40 -0.321 9.667 9.667 265 2HD2 LEU 40 3HD2 LEU 40 -0.025 10.172 10.172 266 3HD2 LEU 40 1HD2 LEU 40 -0.275 8.452 8.452 267 H ASP 41 H ASP 41 -4.072 9.335 9.335 268 HA ASP 41 HA ASP 41 -6.653 8.061 8.061 269 1HB ASP 41 1HB ASP 41 -6.471 9.642 9.642 270 2HB ASP 41 2HB ASP 41 -5.225 8.611 8.611 271 H CYS 42 H CYS 42 -3.393 7.541 7.541 272 HA CYS 42 HA CYS 42 -3.288 5.032 5.032 273 1HB CYS 42 1HB CYS 42 -0.950 4.967 4.967 274 2HB CYS 42 2HB CYS 42 -1.299 6.224 6.224 275 H VAL 43 H VAL 43 -4.980 5.872 5.872 276 HA VAL 43 HA VAL 43 -3.944 3.928 3.928 277 HB VAL 43 HB VAL 43 -6.003 6.104 6.104 278 1HG1 VAL 43 1HG1 VAL 43 -6.091 3.596 3.596 279 2HG1 VAL 43 2HG1 VAL 43 -6.258 5.099 5.099 280 3HG1 VAL 43 3HG1 VAL 43 -7.384 4.754 4.754 281 1HG2 VAL 43 2HG2 VAL 43 -3.361 5.965 5.965 282 2HG2 VAL 43 3HG2 VAL 43 -4.545 7.172 7.172 283 3HG2 VAL 43 1HG2 VAL 43 -4.231 5.719 5.719 284 H GLU 44 H GLU 44 -6.582 4.432 4.432 285 HA GLU 44 HA GLU 44 -8.049 2.194 2.194 286 1HB GLU 44 1HB GLU 44 -8.267 4.249 4.249 287 2HB GLU 44 2HB GLU 44 -8.857 2.683 2.683 288 1HG GLU 44 1HG GLU 44 -9.896 2.930 2.930 289 2HG GLU 44 2HG GLU 44 -10.013 4.558 4.558 290 H GLU 45 H GLU 45 -5.558 2.823 2.823 291 HA GLU 45 HA GLU 45 -5.853 0.197 0.197 292 1HB GLU 45 1HB GLU 45 -4.001 0.851 0.851 293 2HB GLU 45 2HB GLU 45 -5.225 2.104 2.104 294 1HG GLU 45 1HG GLU 45 -3.726 3.084 3.084 295 2HG GLU 45 2HG GLU 45 -2.470 2.101 2.101 296 H ALA 46 H ALA 46 -4.329 1.588 1.588 297 HA ALA 46 HA ALA 46 -2.118 -0.291 -0.291 298 1HB ALA 46 1HB ALA 46 -2.999 2.081 2.081 299 2HB ALA 46 2HB ALA 46 -1.835 0.921 0.921 300 3HB ALA 46 3HB ALA 46 -1.448 1.788 1.788 301 H ILE 47 H ILE 47 -5.429 -0.016 -0.016 302 HA ILE 47 HA ILE 47 -5.027 -2.078 -2.078 303 HB ILE 47 HB ILE 47 -6.983 0.056 0.056 304 1HG1 ILE 47 1HG1 ILE 47 -7.148 -0.235 -0.235 305 2HG1 ILE 47 2HG1 ILE 47 -5.768 -1.342 -1.342 306 1HG2 ILE 47 3HG2 ILE 47 -7.858 -2.731 -2.731 307 2HG2 ILE 47 1HG2 ILE 47 -8.690 -1.332 -1.332 308 3HG2 ILE 47 2HG2 ILE 47 -8.630 -1.517 -1.517 309 1HD1 ILE 47 1HD1 ILE 47 -4.568 0.539 0.539 310 2HD1 ILE 47 2HD1 ILE 47 -5.936 1.597 1.597 311 3HD1 ILE 47 3HD1 ILE 47 -4.936 0.886 0.886 312 H ASP 48 H ASP 48 -6.672 -1.400 -1.400 313 HA ASP 48 HA ASP 48 -8.034 -3.810 -3.810 314 1HB ASP 48 1HB ASP 48 -7.936 -1.539 -1.539 315 2HB ASP 48 2HB ASP 48 -7.007 -2.616 -2.616 316 H SER 49 H SER 49 -4.702 -2.790 -2.790 317 HA SER 49 HA SER 49 -4.093 -5.083 -5.083 318 1HB SER 49 1HB SER 49 -2.521 -2.806 -2.806 319 2HB SER 49 2HB SER 49 -1.652 -4.207 -4.207 320 HG SER 49 HG SER 49 -3.485 -2.558 -2.558 321 H CYS 50 H CYS 50 -4.672 -4.580 -4.580 322 HA CYS 50 HA CYS 50 -2.676 -6.435 -6.435 323 1HB CYS 50 1HB CYS 50 -3.204 -4.546 -4.546 324 2HB CYS 50 2HB CYS 50 -4.907 -4.958 -4.958 325 HA PRO 51 HA PRO 51 -5.559 -9.671 -9.671 326 1HB PRO 51 1HB PRO 51 -3.834 -11.759 -11.759 327 2HB PRO 51 2HB PRO 51 -4.005 -10.911 -10.911 328 1HG PRO 51 1HG PRO 51 -1.821 -10.734 -10.734 329 2HG PRO 51 2HG PRO 51 -1.819 -10.242 -10.242 330 1HD PRO 51 1HD PRO 51 -2.029 -8.526 -8.526 331 2HD PRO 51 2HD PRO 51 -2.142 -8.049 -8.049 332 H ALA 52 H ALA 52 -3.549 -9.435 -9.435 333 HA ALA 52 HA ALA 52 -5.253 -11.269 -11.269 334 1HB ALA 52 1HB ALA 52 -2.588 -10.228 -10.228 335 2HB ALA 52 2HB ALA 52 -3.468 -9.819 -9.819 336 3HB ALA 52 3HB ALA 52 -3.356 -11.514 -11.514 337 H GLU 53 H GLU 53 -5.462 -8.062 -8.062 338 HA GLU 53 HA GLU 53 -6.403 -6.232 -6.232 339 1HB GLU 53 1HB GLU 53 -8.798 -6.511 -6.511 340 2HB GLU 53 2HB GLU 53 -8.285 -7.631 -7.631 341 1HG GLU 53 1HG GLU 53 -8.437 -9.511 -9.511 342 2HG GLU 53 2HG GLU 53 -8.293 -8.545 -8.545 343 H ALA 54 H ALA 54 -4.549 -7.310 -7.310 344 HA ALA 54 HA ALA 54 -5.827 -7.291 -7.291 345 1HB ALA 54 1HB ALA 54 -2.916 -7.251 -7.251 346 2HB ALA 54 2HB ALA 54 -3.454 -7.414 -7.414 347 3HB ALA 54 3HB ALA 54 -3.864 -8.673 -8.673 348 H ILE 55 H ILE 55 -4.708 -4.926 -4.926 349 HA ILE 55 HA ILE 55 -4.218 -2.938 -2.938 350 HB ILE 55 HB ILE 55 -2.720 -2.946 -2.946 351 1HG1 ILE 55 1HG1 ILE 55 -4.439 -0.605 -0.605 352 2HG1 ILE 55 2HG1 ILE 55 -3.804 -0.731 -0.731 353 1HG2 ILE 55 3HG2 ILE 55 -5.186 -3.272 -3.272 354 2HG2 ILE 55 1HG2 ILE 55 -3.907 -2.254 -2.254 355 3HG2 ILE 55 2HG2 ILE 55 -3.552 -3.935 -3.935 356 1HD1 ILE 55 2HD1 ILE 55 -1.700 -1.357 -1.357 357 2HD1 ILE 55 3HD1 ILE 55 -2.486 0.158 0.158 358 3HD1 ILE 55 1HD1 ILE 55 -1.805 0.015 0.015 359 H VAL 56 H VAL 56 -6.021 -2.220 -2.220 360 HA VAL 56 HA VAL 56 -8.380 -1.718 -1.718 361 HB VAL 56 HB VAL 56 -9.535 -1.644 -1.644 362 1HG1 VAL 56 1HG1 VAL 56 -8.166 -4.201 -4.201 363 2HG1 VAL 56 2HG1 VAL 56 -9.509 -4.136 -4.136 364 3HG1 VAL 56 3HG1 VAL 56 -9.757 -3.588 -3.588 365 1HG2 VAL 56 3HG2 VAL 56 -7.185 -1.351 -1.351 366 2HG2 VAL 56 1HG2 VAL 56 -8.498 -2.238 -2.238 367 3HG2 VAL 56 2HG2 VAL 56 -7.196 -3.130 -3.130 368 H ARG 57 H ARG 57 -9.578 0.302 0.302 369 HA ARG 57 HA ARG 57 -7.704 2.400 2.400 370 1HB ARG 57 1HB ARG 57 -10.226 2.408 2.408 371 2HB ARG 57 2HB ARG 57 -9.376 3.877 3.877 372 1HG ARG 57 1HG ARG 57 -7.354 3.152 3.152 373 2HG ARG 57 2HG ARG 57 -7.988 1.535 1.535 374 1HD ARG 57 1HD ARG 57 -9.295 4.023 4.023 375 2HD ARG 57 2HD ARG 57 -8.118 3.049 3.049 376 HE ARG 57 HE ARG 57 -9.969 1.171 1.171 377 1HH1 ARG 57 2HH2 ARG 57 -10.252 4.232 4.232 378 2HH1 ARG 57 1HH2 ARG 57 -11.655 3.735 3.735 379 1HH2 ARG 57 2HH1 ARG 57 -11.789 0.539 0.539 380 2HH2 ARG 57 1HH1 ARG 57 -12.559 1.545 1.545 381 H SER 58 H SER 58 -8.750 1.168 1.168 382 HA SER 58 HA SER 58 -11.147 1.670 1.670 383 1HB SER 58 1HB SER 58 -8.517 1.278 1.278 384 2HB SER 58 2HB SER 58 -9.332 2.492 2.492 385 HG SER 58 HG SER 58 -9.796 0.370 0.370 Start of MODEL 8 1 HA PRO 1 HA PRO 1 -5.231 7.861 7.861 2 1HB PRO 1 1HB PRO 1 -3.039 6.370 6.370 3 2HB PRO 1 2HB PRO 1 -3.085 8.116 8.116 4 1HG PRO 1 1HG PRO 1 -3.237 6.093 6.093 5 2HG PRO 1 2HG PRO 1 -2.857 7.800 7.800 6 1HD PRO 1 1HD PRO 1 -5.343 6.541 6.541 7 2HD PRO 1 2HD PRO 1 -5.000 8.260 8.260 8 H ILE 2 H ILE 2 -4.210 6.005 6.005 9 HA ILE 2 HA ILE 2 -6.299 4.253 4.253 10 HB ILE 2 HB ILE 2 -4.558 2.997 2.997 11 1HG1 ILE 2 1HG1 ILE 2 -2.731 4.134 4.134 12 2HG1 ILE 2 2HG1 ILE 2 -2.368 3.548 3.548 13 1HG2 ILE 2 1HG2 ILE 2 -5.412 5.831 5.831 14 2HG2 ILE 2 2HG2 ILE 2 -4.184 5.191 5.191 15 3HG2 ILE 2 3HG2 ILE 2 -5.768 4.391 4.391 16 1HD1 ILE 2 3HD1 ILE 2 -3.447 6.298 6.298 17 2HD1 ILE 2 1HD1 ILE 2 -1.923 6.114 6.114 18 3HD1 ILE 2 2HD1 ILE 2 -1.998 5.668 5.668 19 H GLU 3 H GLU 3 -5.523 1.666 1.666 20 HA GLU 3 HA GLU 3 -4.554 1.001 1.001 21 1HB GLU 3 1HB GLU 3 -7.119 0.998 0.998 22 2HB GLU 3 2HB GLU 3 -6.985 -0.350 -0.350 23 1HG GLU 3 1HG GLU 3 -7.265 -1.370 -1.370 24 2HG GLU 3 2HG GLU 3 -5.552 -1.524 -1.524 25 H VAL 4 H VAL 4 -3.586 -1.147 -1.147 26 HA VAL 4 HA VAL 4 -3.439 -2.759 -2.759 27 HB VAL 4 HB VAL 4 -1.839 -1.247 -1.247 28 1HG1 VAL 4 3HG1 VAL 4 -0.799 -1.126 -1.126 29 2HG1 VAL 4 1HG1 VAL 4 0.064 -0.436 -0.436 30 3HG1 VAL 4 2HG1 VAL 4 -1.546 0.181 0.181 31 1HG2 VAL 4 2HG2 VAL 4 -1.106 -3.650 -3.650 32 2HG2 VAL 4 3HG2 VAL 4 0.228 -2.472 -2.472 33 3HG2 VAL 4 1HG2 VAL 4 -0.182 -3.290 -3.290 34 H ASN 5 H ASN 5 -4.136 -4.515 -4.515 35 HA ASN 5 HA ASN 5 -3.510 -5.032 -5.032 36 1HB ASN 5 1HB ASN 5 -3.776 -7.565 -7.565 37 2HB ASN 5 2HB ASN 5 -5.150 -6.482 -6.482 38 1HD2 ASN 5 1HD2 ASN 5 -6.191 -7.601 -7.601 39 2HD2 ASN 5 2HD2 ASN 5 -5.756 -7.452 -7.452 40 H ASP 6 H ASP 6 -2.301 -7.550 -7.550 41 HA ASP 6 HA ASP 6 0.411 -6.920 -6.920 42 1HB ASP 6 1HB ASP 6 0.530 -9.118 -9.118 43 2HB ASP 6 2HB ASP 6 0.795 -7.446 -7.446 44 H ASP 7 H ASP 7 -2.230 -9.326 -9.326 45 HA ASP 7 HA ASP 7 -1.117 -11.599 -11.599 46 1HB ASP 7 1HB ASP 7 -3.361 -10.206 -10.206 47 2HB ASP 7 2HB ASP 7 -3.012 -11.919 -11.919 48 H CYS 8 H CYS 8 -1.118 -8.579 -8.579 49 HA CYS 8 HA CYS 8 -0.512 -9.499 -9.499 50 1HB CYS 8 1HB CYS 8 -0.771 -7.262 -7.262 51 2HB CYS 8 2HB CYS 8 -0.163 -6.977 -6.977 52 H MET 9 H MET 9 1.637 -9.623 -9.623 53 HA MET 9 HA MET 9 3.613 -10.708 -10.708 54 1HB MET 9 1HB MET 9 2.587 -11.427 -11.427 55 2HB MET 9 2HB MET 9 4.335 -11.300 -11.300 56 1HG MET 9 1HG MET 9 3.322 -12.738 -12.738 57 2HG MET 9 2HG MET 9 2.875 -13.519 -13.519 58 1HE MET 9 3HE MET 9 3.896 -15.359 -15.359 59 2HE MET 9 1HE MET 9 5.412 -15.808 -15.808 60 3HE MET 9 2HE MET 9 5.426 -15.381 -15.381 61 H ALA 10 H ALA 10 4.007 -9.470 -9.470 62 HA ALA 10 HA ALA 10 5.004 -7.003 -7.003 63 1HB ALA 10 1HB ALA 10 6.779 -8.998 -8.998 64 2HB ALA 10 2HB ALA 10 7.594 -8.124 -8.124 65 3HB ALA 10 3HB ALA 10 6.899 -7.223 -7.223 66 H CYS 11 H CYS 11 3.613 -7.741 -7.741 67 HA CYS 11 HA CYS 11 5.020 -9.015 -9.015 68 1HB CYS 11 1HB CYS 11 2.501 -8.820 -8.820 69 2HB CYS 11 2HB CYS 11 2.638 -7.187 -7.187 70 H GLU 12 H GLU 12 4.414 -5.615 -5.615 71 HA GLU 12 HA GLU 12 5.578 -3.802 -3.802 72 1HB GLU 12 1HB GLU 12 7.550 -5.529 -5.529 73 2HB GLU 12 2HB GLU 12 7.344 -5.106 -5.106 74 1HG GLU 12 1HG GLU 12 7.780 -2.755 -2.755 75 2HG GLU 12 2HG GLU 12 7.686 -2.998 -2.998 76 H ALA 13 H ALA 13 3.523 -5.373 -5.373 77 HA ALA 13 HA ALA 13 3.862 -4.096 -4.096 78 1HB ALA 13 3HB ALA 13 2.456 -6.224 -6.224 79 2HB ALA 13 1HB ALA 13 1.165 -4.999 -4.999 80 3HB ALA 13 2HB ALA 13 2.023 -5.332 -5.332 81 H CYS 14 H CYS 14 1.773 -3.469 -3.469 82 HA CYS 14 HA CYS 14 0.487 -1.256 -1.256 83 1HB CYS 14 1HB CYS 14 -0.175 -0.740 -0.740 84 2HB CYS 14 2HB CYS 14 -0.322 -2.459 -2.459 85 H VAL 15 H VAL 15 3.667 -1.759 -1.759 86 HA VAL 15 HA VAL 15 4.163 1.022 1.022 87 HB VAL 15 HB VAL 15 5.931 -1.430 -1.430 88 1HG1 VAL 15 3HG1 VAL 15 6.535 1.472 1.472 89 2HG1 VAL 15 1HG1 VAL 15 7.422 0.191 0.191 90 3HG1 VAL 15 2HG1 VAL 15 7.473 0.270 0.270 91 1HG2 VAL 15 2HG2 VAL 15 4.413 0.090 0.090 92 2HG2 VAL 15 3HG2 VAL 15 4.462 -1.661 -1.661 93 3HG2 VAL 15 1HG2 VAL 15 5.868 -0.849 -0.849 94 H GLU 16 H GLU 16 4.592 -1.354 -1.354 95 HA GLU 16 HA GLU 16 6.386 0.344 0.344 96 1HB GLU 16 1HB GLU 16 5.636 -2.390 -2.390 97 2HB GLU 16 2HB GLU 16 5.121 -1.728 -1.728 98 1HG GLU 16 1HG GLU 16 7.438 -2.522 -2.522 99 2HG GLU 16 2HG GLU 16 7.402 -0.779 -0.779 100 H ILE 17 H ILE 17 3.069 0.411 0.411 101 HA ILE 17 HA ILE 17 2.513 1.672 1.672 102 HB ILE 17 HB ILE 17 1.227 -0.419 -0.419 103 1HG1 ILE 17 1HG1 ILE 17 0.726 0.654 0.654 104 2HG1 ILE 17 2HG1 ILE 17 -0.789 0.351 0.351 105 1HG2 ILE 17 2HG2 ILE 17 0.698 1.281 1.281 106 2HG2 ILE 17 3HG2 ILE 17 -0.764 1.452 1.452 107 3HG2 ILE 17 1HG2 ILE 17 -0.259 -0.156 -0.156 108 1HD1 ILE 17 2HD1 ILE 17 -0.506 2.793 2.793 109 2HD1 ILE 17 3HD1 ILE 17 0.701 2.960 2.960 110 3HD1 ILE 17 1HD1 ILE 17 -0.987 2.565 2.565 111 H CYS 18 H CYS 18 2.686 2.034 2.034 112 HA CYS 18 HA CYS 18 2.391 4.878 4.878 113 1HB CYS 18 1HB CYS 18 0.092 3.727 3.727 114 2HB CYS 18 2HB CYS 18 0.724 3.659 3.659 115 HA PRO 19 HA PRO 19 5.536 3.475 3.475 116 1HB PRO 19 1HB PRO 19 7.676 4.776 4.776 117 2HB PRO 19 2HB PRO 19 7.271 3.112 3.112 118 1HG PRO 19 1HG PRO 19 6.877 5.532 5.532 119 2HG PRO 19 2HG PRO 19 6.881 3.852 3.852 120 1HD PRO 19 1HD PRO 19 4.582 5.530 5.530 121 2HD PRO 19 2HD PRO 19 4.583 3.821 3.821 122 H ASP 20 H ASP 20 3.820 6.100 6.100 123 HA ASP 20 HA ASP 20 5.397 7.729 7.729 124 1HB ASP 20 1HB ASP 20 4.137 8.404 8.404 125 2HB ASP 20 2HB ASP 20 2.852 8.762 8.762 126 H VAL 21 H VAL 21 2.717 5.567 5.567 127 HA VAL 21 HA VAL 21 1.522 6.724 6.724 128 HB VAL 21 HB VAL 21 0.313 4.972 4.972 129 1HG1 VAL 21 3HG1 VAL 21 -0.492 4.613 4.613 130 2HG1 VAL 21 1HG1 VAL 21 -1.163 6.259 6.259 131 3HG1 VAL 21 2HG1 VAL 21 -1.729 4.997 4.997 132 1HG2 VAL 21 3HG2 VAL 21 0.698 7.345 7.345 133 2HG2 VAL 21 1HG2 VAL 21 -1.025 6.902 6.902 134 3HG2 VAL 21 2HG2 VAL 21 -0.305 7.855 7.855 135 H PHE 22 H PHE 22 3.174 4.012 4.012 136 HA PHE 22 HA PHE 22 3.236 2.719 2.719 137 1HB PHE 22 1HB PHE 22 2.711 1.161 1.161 138 2HB PHE 22 2HB PHE 22 2.462 0.611 0.611 139 HD1 PHE 22 2HD PHE 22 0.624 1.875 1.875 140 HD2 PHE 22 1HD PHE 22 0.901 1.934 1.934 141 HE1 PHE 22 2HE PHE 22 -1.795 2.525 2.525 142 HE2 PHE 22 1HE PHE 22 -1.519 2.583 2.583 143 HZ PHE 22 HZ PHE 22 -2.839 2.871 2.871 144 H GLU 23 H GLU 23 5.324 2.225 2.225 145 HA GLU 23 HA GLU 23 7.026 1.521 1.521 146 1HB GLU 23 1HB GLU 23 7.848 3.671 3.671 147 2HB GLU 23 2HB GLU 23 7.399 3.751 3.751 148 1HG GLU 23 1HG GLU 23 9.286 2.397 2.397 149 2HG GLU 23 2HG GLU 23 9.620 1.911 1.911 150 H MET 24 H MET 24 8.389 -0.226 -0.226 151 HA MET 24 HA MET 24 7.869 -2.064 -2.064 152 1HB MET 24 1HB MET 24 10.778 -1.323 -1.323 153 2HB MET 24 2HB MET 24 10.109 -2.932 -2.932 154 1HG MET 24 1HG MET 24 10.016 -2.953 -2.953 155 2HG MET 24 2HG MET 24 8.580 -1.969 -1.969 156 1HE MET 24 1HE MET 24 11.583 -2.605 -2.605 157 2HE MET 24 2HE MET 24 11.236 -1.464 -1.464 158 3HE MET 24 3HE MET 24 12.582 -1.146 -1.146 159 H ASN 25 H ASN 25 8.709 -2.803 -2.803 160 HA ASN 25 HA ASN 25 8.731 -0.778 -0.778 161 1HB ASN 25 1HB ASN 25 8.234 -3.357 -3.357 162 2HB ASN 25 2HB ASN 25 9.961 -3.530 -3.530 163 1HD2 ASN 25 1HD2 ASN 25 10.432 -3.753 -3.753 164 2HD2 ASN 25 2HD2 ASN 25 9.755 -2.889 -2.889 165 H GLU 26 H GLU 26 11.039 -2.235 -2.235 166 HA GLU 26 HA GLU 26 13.075 -0.453 -0.453 167 1HB GLU 26 1HB GLU 26 12.324 -1.380 -1.380 168 2HB GLU 26 2HB GLU 26 13.727 -2.380 -2.380 169 1HG GLU 26 1HG GLU 26 14.287 0.369 0.369 170 2HG GLU 26 2HG GLU 26 13.693 0.344 0.344 171 H GLU 27 H GLU 27 12.163 -3.798 -3.798 172 HA GLU 27 HA GLU 27 14.575 -4.186 -4.186 173 1HB GLU 27 1HB GLU 27 13.709 -6.429 -6.429 174 2HB GLU 27 2HB GLU 27 15.264 -6.177 -6.177 175 1HG GLU 27 1HG GLU 27 15.601 -4.131 -4.131 176 2HG GLU 27 2HG GLU 27 14.099 -4.508 -4.508 177 H GLY 28 H GLY 28 11.464 -3.846 -3.846 178 1HA GLY 28 1HA GLY 28 10.060 -4.490 -4.490 179 2HA GLY 28 2HA GLY 28 11.146 -5.797 -5.797 180 H ASP 29 H ASP 29 10.511 -5.627 -5.627 181 HA ASP 29 HA ASP 29 9.419 -8.137 -8.137 182 1HB ASP 29 1HB ASP 29 10.329 -6.320 -6.320 183 2HB ASP 29 2HB ASP 29 8.606 -6.209 -6.209 184 H LYS 30 H LYS 30 8.020 -5.019 -5.019 185 HA LYS 30 HA LYS 30 5.572 -6.068 -6.068 186 1HB LYS 30 1HB LYS 30 4.070 -5.155 -5.155 187 2HB LYS 30 2HB LYS 30 5.082 -6.450 -6.450 188 1HG LYS 30 1HG LYS 30 6.524 -4.933 -4.933 189 2HG LYS 30 2HG LYS 30 5.928 -3.544 -3.544 190 1HD LYS 30 1HD LYS 30 3.585 -4.486 -4.486 191 2HD LYS 30 2HD LYS 30 4.744 -4.943 -4.943 192 1HE LYS 30 1HE LYS 30 4.857 -2.802 -2.802 193 2HE LYS 30 2HE LYS 30 5.370 -2.255 -2.255 194 1HZ LYS 30 1HZ LYS 30 3.215 -1.687 -1.687 195 2HZ LYS 30 2HZ LYS 30 2.535 -2.848 -2.848 196 H ALA 31 H ALA 31 4.035 -4.274 -4.274 197 HA ALA 31 HA ALA 31 5.647 -2.078 -2.078 198 1HB ALA 31 1HB ALA 31 4.116 -3.346 -3.346 199 2HB ALA 31 2HB ALA 31 2.736 -2.831 -2.831 200 3HB ALA 31 3HB ALA 31 3.678 -1.623 -1.623 201 H VAL 32 H VAL 32 5.998 -0.443 -0.443 202 HA VAL 32 HA VAL 32 4.000 0.167 0.167 203 HB VAL 32 HB VAL 32 6.657 1.441 1.441 204 1HG1 VAL 32 2HG1 VAL 32 4.564 2.088 2.088 205 2HG1 VAL 32 3HG1 VAL 32 6.247 2.090 2.090 206 3HG1 VAL 32 1HG1 VAL 32 5.772 3.135 3.135 207 1HG2 VAL 32 1HG2 VAL 32 6.740 -0.954 -0.954 208 2HG2 VAL 32 2HG2 VAL 32 7.580 0.182 0.182 209 3HG2 VAL 32 3HG2 VAL 32 5.977 -0.451 -0.451 210 H VAL 33 H VAL 33 2.975 2.277 2.277 211 HA VAL 33 HA VAL 33 2.282 3.347 3.347 212 HB VAL 33 HB VAL 33 1.204 3.795 3.795 213 1HG1 VAL 33 3HG1 VAL 33 0.992 5.776 5.776 214 2HG1 VAL 33 1HG1 VAL 33 -0.053 4.745 4.745 215 3HG1 VAL 33 2HG1 VAL 33 -0.530 5.136 5.136 216 1HG2 VAL 33 2HG2 VAL 33 0.822 1.542 1.542 217 2HG2 VAL 33 3HG2 VAL 33 -0.662 2.446 2.446 218 3HG2 VAL 33 1HG2 VAL 33 -0.078 2.368 2.368 219 H ILE 34 H ILE 34 2.820 5.382 5.382 220 HA ILE 34 HA ILE 34 4.585 6.915 6.915 221 HB ILE 34 HB ILE 34 4.969 7.682 7.682 222 1HG1 ILE 34 1HG1 ILE 34 5.199 4.678 4.678 223 2HG1 ILE 34 2HG1 ILE 34 3.894 5.500 5.500 224 1HG2 ILE 34 3HG2 ILE 34 6.506 6.555 6.555 225 2HG2 ILE 34 1HG2 ILE 34 7.193 6.259 6.259 226 3HG2 ILE 34 2HG2 ILE 34 6.868 7.925 7.925 227 1HD1 ILE 34 2HD1 ILE 34 5.765 6.627 6.627 228 2HD1 ILE 34 3HD1 ILE 34 6.880 5.474 5.474 229 3HD1 ILE 34 1HD1 ILE 34 5.554 4.877 4.877 230 H ASN 35 H ASN 35 1.718 6.863 6.863 231 HA ASN 35 HA ASN 35 1.405 9.709 9.709 232 1HB ASN 35 1HB ASN 35 1.362 8.655 8.655 233 2HB ASN 35 2HB ASN 35 -0.263 8.160 8.160 234 1HD2 ASN 35 1HD2 ASN 35 0.525 9.998 9.998 235 2HD2 ASN 35 2HD2 ASN 35 -0.183 11.541 11.541 236 HA PRO 36 HA PRO 36 -1.717 7.690 7.690 237 1HB PRO 36 1HB PRO 36 -1.636 9.468 9.468 238 2HB PRO 36 2HB PRO 36 -0.639 8.028 8.028 239 1HG PRO 36 1HG PRO 36 0.136 10.844 10.844 240 2HG PRO 36 2HG PRO 36 1.161 9.467 9.467 241 1HD PRO 36 1HD PRO 36 0.785 10.712 10.712 242 2HD PRO 36 2HD PRO 36 1.717 9.266 9.266 243 H ASP 37 H ASP 37 -2.010 9.619 9.619 244 HA ASP 37 HA ASP 37 -4.702 10.135 10.135 245 1HB ASP 37 1HB ASP 37 -3.847 11.977 11.977 246 2HB ASP 37 2HB ASP 37 -2.808 12.528 12.528 247 H SER 38 H SER 38 -3.046 8.865 8.865 248 HA SER 38 HA SER 38 -2.084 10.067 10.067 249 1HB SER 38 1HB SER 38 -2.287 7.869 7.869 250 2HB SER 38 2HB SER 38 -3.784 7.687 7.687 251 HG SER 38 HG SER 38 -4.775 7.684 7.684 252 H ASP 39 H ASP 39 -5.526 9.186 9.186 253 HA ASP 39 HA ASP 39 -7.269 10.412 10.412 254 1HB ASP 39 1HB ASP 39 -5.763 12.382 12.382 255 2HB ASP 39 2HB ASP 39 -5.854 13.009 13.009 256 H LEU 40 H LEU 40 -5.032 9.246 9.246 257 HA LEU 40 HA LEU 40 -5.566 10.807 10.807 258 1HB LEU 40 1HB LEU 40 -3.330 9.539 9.539 259 2HB LEU 40 2HB LEU 40 -3.354 11.126 11.126 260 HG LEU 40 HG LEU 40 -3.183 9.761 9.761 261 1HD1 LEU 40 3HD1 LEU 40 -3.222 7.634 7.634 262 2HD1 LEU 40 1HD1 LEU 40 -1.485 7.835 7.835 263 3HD1 LEU 40 2HD1 LEU 40 -2.627 7.599 7.599 264 1HD2 LEU 40 2HD2 LEU 40 -1.508 11.340 11.340 265 2HD2 LEU 40 3HD2 LEU 40 -0.955 10.316 10.316 266 3HD2 LEU 40 1HD2 LEU 40 -0.647 9.817 9.817 267 H ASP 41 H ASP 41 -5.045 9.187 9.187 268 HA ASP 41 HA ASP 41 -6.900 7.031 7.031 269 1HB ASP 41 1HB ASP 41 -6.952 8.721 8.721 270 2HB ASP 41 2HB ASP 41 -5.612 7.801 7.801 271 H CYS 42 H CYS 42 -4.531 6.477 6.477 272 HA CYS 42 HA CYS 42 -3.105 4.704 4.704 273 1HB CYS 42 1HB CYS 42 -1.139 5.309 5.309 274 2HB CYS 42 2HB CYS 42 -1.998 6.740 6.740 275 H VAL 43 H VAL 43 -4.993 5.137 5.137 276 HA VAL 43 HA VAL 43 -4.301 2.634 2.634 277 HB VAL 43 HB VAL 43 -6.836 4.118 4.118 278 1HG1 VAL 43 1HG1 VAL 43 -5.309 2.050 2.050 279 2HG1 VAL 43 2HG1 VAL 43 -5.248 3.476 3.476 280 3HG1 VAL 43 3HG1 VAL 43 -6.819 2.803 2.803 281 1HG2 VAL 43 1HG2 VAL 43 -4.051 5.168 5.168 282 2HG2 VAL 43 2HG2 VAL 43 -5.564 6.030 6.030 283 3HG2 VAL 43 3HG2 VAL 43 -5.233 5.477 5.477 284 H GLU 44 H GLU 44 -6.719 3.836 3.836 285 HA GLU 44 HA GLU 44 -8.336 1.543 1.543 286 1HB GLU 44 1HB GLU 44 -9.165 3.727 3.727 287 2HB GLU 44 2HB GLU 44 -8.074 3.644 3.644 288 1HG GLU 44 1HG GLU 44 -9.511 2.327 2.327 289 2HG GLU 44 2HG GLU 44 -9.628 1.182 1.182 290 H GLU 45 H GLU 45 -5.445 2.479 2.479 291 HA GLU 45 HA GLU 45 -5.724 0.145 0.145 292 1HB GLU 45 1HB GLU 45 -3.772 1.033 1.033 293 2HB GLU 45 2HB GLU 45 -4.986 2.282 2.282 294 1HG GLU 45 1HG GLU 45 -3.637 2.862 2.862 295 2HG GLU 45 2HG GLU 45 -2.338 1.984 1.984 296 H ALA 46 H ALA 46 -4.204 1.174 1.174 297 HA ALA 46 HA ALA 46 -2.088 -0.777 -0.777 298 1HB ALA 46 1HB ALA 46 -3.089 1.134 1.134 299 2HB ALA 46 2HB ALA 46 -1.702 0.040 0.040 300 3HB ALA 46 3HB ALA 46 -1.644 1.312 1.312 301 H ILE 47 H ILE 47 -5.426 -0.507 -0.507 302 HA ILE 47 HA ILE 47 -5.194 -2.831 -2.831 303 HB ILE 47 HB ILE 47 -7.370 -0.910 -0.910 304 1HG1 ILE 47 1HG1 ILE 47 -6.566 -1.783 -1.783 305 2HG1 ILE 47 2HG1 ILE 47 -5.585 -0.601 -0.601 306 1HG2 ILE 47 3HG2 ILE 47 -8.422 -3.107 -3.107 307 2HG2 ILE 47 1HG2 ILE 47 -7.773 -3.524 -3.524 308 3HG2 ILE 47 2HG2 ILE 47 -8.970 -2.217 -2.217 309 1HD1 ILE 47 3HD1 ILE 47 -8.567 -0.393 -0.393 310 2HD1 ILE 47 1HD1 ILE 47 -7.265 0.501 0.501 311 3HD1 ILE 47 2HD1 ILE 47 -7.616 0.815 0.815 312 H ASP 48 H ASP 48 -6.718 -1.928 -1.928 313 HA ASP 48 HA ASP 48 -7.857 -4.361 -4.361 314 1HB ASP 48 1HB ASP 48 -7.564 -1.939 -1.939 315 2HB ASP 48 2HB ASP 48 -6.637 -3.020 -3.020 316 H SER 49 H SER 49 -4.520 -3.110 -3.110 317 HA SER 49 HA SER 49 -3.692 -5.355 -5.355 318 1HB SER 49 1HB SER 49 -2.232 -3.068 -3.068 319 2HB SER 49 2HB SER 49 -1.355 -4.360 -4.360 320 HG SER 49 HG SER 49 -1.651 -3.249 -3.249 321 H CYS 50 H CYS 50 -4.121 -4.616 -4.616 322 HA CYS 50 HA CYS 50 -2.237 -6.626 -6.626 323 1HB CYS 50 1HB CYS 50 -2.328 -4.686 -4.686 324 2HB CYS 50 2HB CYS 50 -4.077 -4.736 -4.736 325 HA PRO 51 HA PRO 51 -5.533 -9.546 -9.546 326 1HB PRO 51 1HB PRO 51 -4.024 -11.798 -11.798 327 2HB PRO 51 2HB PRO 51 -4.253 -11.030 -11.030 328 1HG PRO 51 1HG PRO 51 -1.873 -10.990 -10.990 329 2HG PRO 51 2HG PRO 51 -1.986 -10.607 -10.607 330 1HD PRO 51 1HD PRO 51 -1.771 -8.740 -8.740 331 2HD PRO 51 2HD PRO 51 -2.001 -8.357 -8.357 332 H ALA 52 H ALA 52 -3.260 -9.318 -9.318 333 HA ALA 52 HA ALA 52 -4.917 -10.916 -10.916 334 1HB ALA 52 2HB ALA 52 -2.242 -10.317 -10.317 335 2HB ALA 52 3HB ALA 52 -2.800 -9.193 -9.193 336 3HB ALA 52 1HB ALA 52 -3.078 -10.943 -10.943 337 H GLU 53 H GLU 53 -5.108 -7.798 -7.798 338 HA GLU 53 HA GLU 53 -5.861 -5.852 -5.852 339 1HB GLU 53 1HB GLU 53 -8.252 -5.948 -5.948 340 2HB GLU 53 2HB GLU 53 -7.815 -7.250 -7.250 341 1HG GLU 53 1HG GLU 53 -7.666 -8.194 -8.194 342 2HG GLU 53 2HG GLU 53 -9.227 -7.447 -7.447 343 H ALA 54 H ALA 54 -4.020 -6.534 -6.534 344 HA ALA 54 HA ALA 54 -5.209 -6.717 -6.717 345 1HB ALA 54 3HB ALA 54 -2.585 -6.948 -6.948 346 2HB ALA 54 1HB ALA 54 -2.511 -5.930 -5.930 347 3HB ALA 54 2HB ALA 54 -3.158 -7.586 -7.586 348 H ILE 55 H ILE 55 -4.355 -4.197 -4.197 349 HA ILE 55 HA ILE 55 -4.337 -2.180 -2.180 350 HB ILE 55 HB ILE 55 -3.897 -0.671 -0.671 351 1HG1 ILE 55 1HG1 ILE 55 -3.084 -3.141 -3.141 352 2HG1 ILE 55 2HG1 ILE 55 -4.766 -2.574 -2.574 353 1HG2 ILE 55 1HG2 ILE 55 -2.223 -2.283 -2.283 354 2HG2 ILE 55 2HG2 ILE 55 -1.597 -2.418 -2.418 355 3HG2 ILE 55 3HG2 ILE 55 -1.784 -0.816 -0.816 356 1HD1 ILE 55 1HD1 ILE 55 -3.844 -0.306 -0.306 357 2HD1 ILE 55 2HD1 ILE 55 -2.223 -1.040 -1.040 358 3HD1 ILE 55 3HD1 ILE 55 -3.483 -1.602 -1.602 359 H VAL 56 H VAL 56 -6.069 -0.924 -0.924 360 HA VAL 56 HA VAL 56 -8.267 -0.822 -0.822 361 HB VAL 56 HB VAL 56 -9.827 -1.151 -1.151 362 1HG1 VAL 56 2HG1 VAL 56 -8.169 -3.340 -3.340 363 2HG1 VAL 56 3HG1 VAL 56 -9.452 -3.723 -3.723 364 3HG1 VAL 56 1HG1 VAL 56 -9.852 -2.867 -2.867 365 1HG2 VAL 56 1HG2 VAL 56 -7.206 -1.783 -1.783 366 2HG2 VAL 56 2HG2 VAL 56 -8.689 -1.093 -1.093 367 3HG2 VAL 56 3HG2 VAL 56 -8.579 -2.845 -2.845 368 H ARG 57 H ARG 57 -9.840 0.962 0.962 369 HA ARG 57 HA ARG 57 -8.371 3.043 3.043 370 1HB ARG 57 1HB ARG 57 -9.560 4.673 4.673 371 2HB ARG 57 2HB ARG 57 -8.478 3.592 3.592 372 1HG ARG 57 1HG ARG 57 -10.224 2.376 2.376 373 2HG ARG 57 2HG ARG 57 -11.340 2.708 2.708 374 1HD ARG 57 1HD ARG 57 -12.246 4.193 4.193 375 2HD ARG 57 2HD ARG 57 -10.987 5.255 5.255 376 HE ARG 57 HE ARG 57 -9.807 4.996 4.996 377 1HH1 ARG 57 2HH2 ARG 57 -12.437 2.627 2.627 378 2HH1 ARG 57 1HH2 ARG 57 -12.272 2.151 2.151 379 1HH2 ARG 57 2HH1 ARG 57 -9.603 4.369 4.369 380 2HH2 ARG 57 1HH1 ARG 57 -10.590 3.187 3.187 381 H SER 58 H SER 58 -9.997 1.337 1.337 382 HA SER 58 HA SER 58 -12.598 1.615 1.615 383 1HB SER 58 1HB SER 58 -10.637 0.715 0.715 384 2HB SER 58 2HB SER 58 -11.213 2.092 2.092 385 HG SER 58 HG SER 58 -13.184 1.165 1.165 Start of MODEL 9 1 HA PRO 1 HA PRO 1 -7.909 6.050 6.050 2 1HB PRO 1 1HB PRO 1 -6.179 6.694 6.694 3 2HB PRO 1 2HB PRO 1 -7.257 7.857 7.857 4 1HG PRO 1 1HG PRO 1 -4.341 7.538 7.538 5 2HG PRO 1 2HG PRO 1 -5.350 8.918 8.918 6 1HD PRO 1 1HD PRO 1 -4.283 7.004 7.004 7 2HD PRO 1 2HD PRO 1 -5.386 8.316 8.316 8 H ILE 2 H ILE 2 -4.832 5.419 5.419 9 HA ILE 2 HA ILE 2 -5.459 2.971 2.971 10 HB ILE 2 HB ILE 2 -3.126 2.596 2.596 11 1HG1 ILE 2 1HG1 ILE 2 -2.460 3.044 3.044 12 2HG1 ILE 2 2HG1 ILE 2 -1.386 3.802 3.802 13 1HG2 ILE 2 1HG2 ILE 2 -4.402 5.085 5.085 14 2HG2 ILE 2 2HG2 ILE 2 -2.666 5.363 5.363 15 3HG2 ILE 2 3HG2 ILE 2 -3.195 4.166 4.166 16 1HD1 ILE 2 2HD1 ILE 2 -3.023 5.867 5.867 17 2HD1 ILE 2 3HD1 ILE 2 -3.403 5.040 5.040 18 3HD1 ILE 2 1HD1 ILE 2 -1.731 5.541 5.541 19 H GLU 3 H GLU 3 -4.517 0.769 0.769 20 HA GLU 3 HA GLU 3 -4.082 0.395 0.395 21 1HB GLU 3 1HB GLU 3 -6.690 0.706 0.706 22 2HB GLU 3 2HB GLU 3 -6.621 -0.937 -0.937 23 1HG GLU 3 1HG GLU 3 -6.941 -1.425 -1.425 24 2HG GLU 3 2HG GLU 3 -5.192 -1.324 -1.324 25 H VAL 4 H VAL 4 -3.234 -1.711 -1.711 26 HA VAL 4 HA VAL 4 -2.927 -3.348 -3.348 27 HB VAL 4 HB VAL 4 -1.033 -2.274 -2.274 28 1HG1 VAL 4 3HG1 VAL 4 -0.979 -5.254 -5.254 29 2HG1 VAL 4 1HG1 VAL 4 0.404 -4.326 -4.326 30 3HG1 VAL 4 2HG1 VAL 4 -1.089 -4.460 -4.460 31 1HG2 VAL 4 2HG2 VAL 4 -1.238 -2.553 -2.553 32 2HG2 VAL 4 3HG2 VAL 4 0.214 -2.040 -2.040 33 3HG2 VAL 4 1HG2 VAL 4 0.009 -3.748 -3.748 34 H ASN 5 H ASN 5 -2.838 -5.700 -5.700 35 HA ASN 5 HA ASN 5 -4.683 -6.399 -6.399 36 1HB ASN 5 1HB ASN 5 -4.501 -7.217 -7.217 37 2HB ASN 5 2HB ASN 5 -3.525 -8.470 -8.470 38 1HD2 ASN 5 1HD2 ASN 5 -6.594 -7.508 -7.508 39 2HD2 ASN 5 2HD2 ASN 5 -7.542 -8.584 -8.584 40 H ASP 6 H ASP 6 -3.572 -9.287 -9.287 41 HA ASP 6 HA ASP 6 -1.176 -8.819 -8.819 42 1HB ASP 6 1HB ASP 6 -3.118 -9.511 -9.511 43 2HB ASP 6 2HB ASP 6 -3.349 -10.928 -10.928 44 H ASP 7 H ASP 7 -3.112 -11.018 -11.018 45 HA ASP 7 HA ASP 7 -1.207 -13.004 -13.004 46 1HB ASP 7 1HB ASP 7 -3.478 -12.039 -12.039 47 2HB ASP 7 2HB ASP 7 -2.461 -13.376 -13.376 48 H CYS 8 H CYS 8 -1.717 -9.846 -9.846 49 HA CYS 8 HA CYS 8 -0.354 -10.069 -10.069 50 1HB CYS 8 1HB CYS 8 -1.223 -7.970 -7.970 51 2HB CYS 8 2HB CYS 8 -0.781 -7.853 -7.853 52 H MET 9 H MET 9 1.857 -10.065 -10.065 53 HA MET 9 HA MET 9 3.686 -10.610 -10.610 54 1HB MET 9 1HB MET 9 3.662 -11.395 -11.395 55 2HB MET 9 2HB MET 9 5.075 -11.643 -11.643 56 1HG MET 9 1HG MET 9 3.975 -13.244 -13.244 57 2HG MET 9 2HG MET 9 2.378 -12.693 -12.693 58 1HE MET 9 1HE MET 9 2.636 -15.233 -15.233 59 2HE MET 9 2HE MET 9 1.832 -15.858 -15.858 60 3HE MET 9 3HE MET 9 3.519 -16.305 -16.305 61 H ALA 10 H ALA 10 3.996 -9.404 -9.404 62 HA ALA 10 HA ALA 10 4.649 -6.837 -6.837 63 1HB ALA 10 1HB ALA 10 6.917 -8.657 -8.657 64 2HB ALA 10 2HB ALA 10 7.288 -7.125 -7.125 65 3HB ALA 10 3HB ALA 10 6.405 -7.113 -7.113 66 H CYS 11 H CYS 11 3.414 -7.601 -7.601 67 HA CYS 11 HA CYS 11 4.955 -8.754 -8.754 68 1HB CYS 11 1HB CYS 11 2.223 -7.882 -7.882 69 2HB CYS 11 2HB CYS 11 2.804 -7.372 -7.372 70 H GLU 12 H GLU 12 4.211 -5.463 -5.463 71 HA GLU 12 HA GLU 12 5.089 -3.525 -3.525 72 1HB GLU 12 1HB GLU 12 7.126 -4.988 -4.988 73 2HB GLU 12 2HB GLU 12 7.268 -3.335 -3.335 74 1HG GLU 12 1HG GLU 12 8.063 -4.009 -4.009 75 2HG GLU 12 2HG GLU 12 6.709 -5.096 -5.096 76 H ALA 13 H ALA 13 3.309 -5.277 -5.277 77 HA ALA 13 HA ALA 13 3.718 -4.026 -4.026 78 1HB ALA 13 1HB ALA 13 2.426 -6.254 -6.254 79 2HB ALA 13 2HB ALA 13 1.047 -5.141 -5.141 80 3HB ALA 13 3HB ALA 13 2.096 -5.474 -5.474 81 H CYS 14 H CYS 14 1.675 -3.402 -3.402 82 HA CYS 14 HA CYS 14 0.052 -1.471 -1.471 83 1HB CYS 14 1HB CYS 14 -0.358 -0.730 -0.730 84 2HB CYS 14 2HB CYS 14 -0.612 -2.442 -2.442 85 H VAL 15 H VAL 15 3.260 -1.362 -1.362 86 HA VAL 15 HA VAL 15 3.436 1.475 1.475 87 HB VAL 15 HB VAL 15 5.619 1.168 1.168 88 1HG1 VAL 15 1HG1 VAL 15 3.338 -0.134 -0.134 89 2HG1 VAL 15 2HG1 VAL 15 4.768 -1.132 -1.132 90 3HG1 VAL 15 3HG1 VAL 15 4.735 0.579 0.579 91 1HG2 VAL 15 3HG2 VAL 15 6.130 -0.709 -0.709 92 2HG2 VAL 15 1HG2 VAL 15 6.945 -0.740 -0.740 93 3HG2 VAL 15 2HG2 VAL 15 5.556 -1.810 -1.810 94 H GLU 16 H GLU 16 4.244 -1.244 -1.244 95 HA GLU 16 HA GLU 16 6.031 0.140 0.140 96 1HB GLU 16 1HB GLU 16 4.779 -2.445 -2.445 97 2HB GLU 16 2HB GLU 16 4.560 -1.808 -1.808 98 1HG GLU 16 1HG GLU 16 7.180 -1.129 -1.129 99 2HG GLU 16 2HG GLU 16 7.089 -2.549 -2.549 100 H ILE 17 H ILE 17 2.474 -0.007 -0.007 101 HA ILE 17 HA ILE 17 2.241 1.401 1.401 102 HB ILE 17 HB ILE 17 0.706 -0.471 -0.471 103 1HG1 ILE 17 1HG1 ILE 17 0.687 0.011 0.011 104 2HG1 ILE 17 2HG1 ILE 17 -0.975 0.041 0.041 105 1HG2 ILE 17 2HG2 ILE 17 -0.071 1.085 1.085 106 2HG2 ILE 17 3HG2 ILE 17 -0.649 2.204 2.204 107 3HG2 ILE 17 1HG2 ILE 17 -1.408 0.604 0.604 108 1HD1 ILE 17 3HD1 ILE 17 0.053 2.684 2.684 109 2HD1 ILE 17 1HD1 ILE 17 0.547 2.110 2.110 110 3HD1 ILE 17 2HD1 ILE 17 -1.174 2.108 2.108 111 H CYS 18 H CYS 18 1.787 1.929 1.929 112 HA CYS 18 HA CYS 18 1.729 4.793 4.793 113 1HB CYS 18 1HB CYS 18 -0.465 3.639 3.639 114 2HB CYS 18 2HB CYS 18 0.325 3.675 3.675 115 HA PRO 19 HA PRO 19 5.201 3.710 3.710 116 1HB PRO 19 1HB PRO 19 7.183 4.947 4.947 117 2HB PRO 19 2HB PRO 19 6.788 3.249 3.249 118 1HG PRO 19 1HG PRO 19 6.165 5.503 5.503 119 2HG PRO 19 2HG PRO 19 6.166 3.785 3.785 120 1HD PRO 19 1HD PRO 19 3.869 5.447 5.447 121 2HD PRO 19 2HD PRO 19 3.879 3.709 3.709 122 H ASP 20 H ASP 20 3.422 6.301 6.301 123 HA ASP 20 HA ASP 20 5.102 8.076 8.076 124 1HB ASP 20 1HB ASP 20 3.442 8.444 8.444 125 2HB ASP 20 2HB ASP 20 2.545 9.178 9.178 126 H VAL 21 H VAL 21 2.479 5.874 5.874 127 HA VAL 21 HA VAL 21 1.412 7.273 7.273 128 HB VAL 21 HB VAL 21 0.140 5.352 5.352 129 1HG1 VAL 21 2HG1 VAL 21 -0.509 4.786 4.786 130 2HG1 VAL 21 3HG1 VAL 21 -1.074 6.458 6.458 131 3HG1 VAL 21 1HG1 VAL 21 -1.872 5.405 5.405 132 1HG2 VAL 21 2HG2 VAL 21 0.272 7.740 7.740 133 2HG2 VAL 21 3HG2 VAL 21 -1.400 7.175 7.175 134 3HG2 VAL 21 1HG2 VAL 21 -0.624 8.181 8.181 135 H PHE 22 H PHE 22 3.077 4.471 4.471 136 HA PHE 22 HA PHE 22 3.258 3.439 3.439 137 1HB PHE 22 1HB PHE 22 2.711 1.748 1.748 138 2HB PHE 22 2HB PHE 22 2.752 1.159 1.159 139 HD1 PHE 22 2HD PHE 22 1.006 2.350 2.350 140 HD2 PHE 22 1HD PHE 22 0.651 2.153 2.153 141 HE1 PHE 22 2HE PHE 22 -1.469 2.713 2.713 142 HE2 PHE 22 1HE PHE 22 -1.825 2.516 2.516 143 HZ PHE 22 HZ PHE 22 -2.855 2.792 2.792 144 H GLU 23 H GLU 23 5.254 2.467 2.467 145 HA GLU 23 HA GLU 23 7.038 2.002 2.002 146 1HB GLU 23 1HB GLU 23 7.688 4.242 4.242 147 2HB GLU 23 2HB GLU 23 7.453 4.132 4.132 148 1HG GLU 23 1HG GLU 23 9.454 2.191 2.191 149 2HG GLU 23 2HG GLU 23 9.891 3.833 3.833 150 H MET 24 H MET 24 8.304 0.202 0.202 151 HA MET 24 HA MET 24 7.780 -1.573 -1.573 152 1HB MET 24 1HB MET 24 10.664 -1.028 -1.028 153 2HB MET 24 2HB MET 24 9.928 -2.587 -2.587 154 1HG MET 24 1HG MET 24 9.597 -2.702 -2.702 155 2HG MET 24 2HG MET 24 8.273 -1.584 -1.584 156 1HE MET 24 2HE MET 24 10.044 -2.252 -2.252 157 2HE MET 24 3HE MET 24 9.100 -0.831 -0.831 158 3HE MET 24 1HE MET 24 10.871 -0.834 -0.834 159 H ASN 25 H ASN 25 8.766 -2.300 -2.300 160 HA ASN 25 HA ASN 25 9.103 -0.193 -0.193 161 1HB ASN 25 1HB ASN 25 8.382 -2.717 -2.717 162 2HB ASN 25 2HB ASN 25 10.100 -3.020 -3.020 163 1HD2 ASN 25 1HD2 ASN 25 10.700 -3.133 -3.133 164 2HD2 ASN 25 2HD2 ASN 25 10.149 -2.162 -2.162 165 H GLU 26 H GLU 26 11.357 -1.706 -1.706 166 HA GLU 26 HA GLU 26 13.473 -0.185 -0.185 167 1HB GLU 26 1HB GLU 26 12.875 -1.079 -1.079 168 2HB GLU 26 2HB GLU 26 14.051 -2.293 -2.293 169 1HG GLU 26 1HG GLU 26 15.451 -0.161 -0.161 170 2HG GLU 26 2HG GLU 26 14.426 0.689 0.689 171 H GLU 27 H GLU 27 12.274 -3.467 -3.467 172 HA GLU 27 HA GLU 27 14.480 -3.969 -3.969 173 1HB GLU 27 1HB GLU 27 13.624 -6.259 -6.259 174 2HB GLU 27 2HB GLU 27 15.163 -5.981 -5.981 175 1HG GLU 27 1HG GLU 27 15.573 -4.053 -4.053 176 2HG GLU 27 2HG GLU 27 14.093 -4.485 -4.485 177 H GLY 28 H GLY 28 11.351 -3.440 -3.440 178 1HA GLY 28 1HA GLY 28 9.649 -3.916 -3.916 179 2HA GLY 28 2HA GLY 28 10.677 -5.050 -5.050 180 H ASP 29 H ASP 29 10.307 -5.301 -5.301 181 HA ASP 29 HA ASP 29 9.293 -7.926 -7.926 182 1HB ASP 29 1HB ASP 29 10.771 -6.637 -6.637 183 2HB ASP 29 2HB ASP 29 9.189 -6.610 -6.610 184 H LYS 30 H LYS 30 7.966 -4.754 -4.754 185 HA LYS 30 HA LYS 30 5.316 -5.697 -5.697 186 1HB LYS 30 1HB LYS 30 4.528 -4.609 -4.609 187 2HB LYS 30 2HB LYS 30 5.539 -6.013 -6.013 188 1HG LYS 30 1HG LYS 30 7.237 -3.665 -3.665 189 2HG LYS 30 2HG LYS 30 5.943 -3.337 -3.337 190 1HD LYS 30 1HD LYS 30 6.728 -5.965 -5.965 191 2HD LYS 30 2HD LYS 30 8.242 -5.164 -5.164 192 1HE LYS 30 1HE LYS 30 8.098 -4.541 -4.541 193 2HE LYS 30 2HE LYS 30 7.115 -3.223 -3.223 194 1HZ LYS 30 1HZ LYS 30 5.940 -4.272 -4.272 195 2HZ LYS 30 2HZ LYS 30 5.162 -4.697 -4.697 196 H ALA 31 H ALA 31 4.810 -4.465 -4.465 197 HA ALA 31 HA ALA 31 5.914 -2.095 -2.095 198 1HB ALA 31 3HB ALA 31 3.777 -3.760 -3.760 199 2HB ALA 31 1HB ALA 31 3.075 -2.134 -2.134 200 3HB ALA 31 2HB ALA 31 4.468 -2.386 -2.386 201 H VAL 32 H VAL 32 6.076 -0.155 -0.155 202 HA VAL 32 HA VAL 32 4.169 0.448 0.448 203 HB VAL 32 HB VAL 32 6.717 1.823 1.823 204 1HG1 VAL 32 1HG1 VAL 32 4.825 2.296 2.296 205 2HG1 VAL 32 2HG1 VAL 32 6.530 2.805 2.805 206 3HG1 VAL 32 3HG1 VAL 32 5.446 3.462 3.462 207 1HG2 VAL 32 3HG2 VAL 32 7.104 -0.460 -0.460 208 2HG2 VAL 32 1HG2 VAL 32 7.747 0.772 0.772 209 3HG2 VAL 32 2HG2 VAL 32 6.218 -0.056 -0.056 210 H VAL 33 H VAL 33 3.529 2.907 2.907 211 HA VAL 33 HA VAL 33 2.643 3.644 3.644 212 HB VAL 33 HB VAL 33 1.357 4.059 4.059 213 1HG1 VAL 33 3HG1 VAL 33 1.166 5.753 5.753 214 2HG1 VAL 33 1HG1 VAL 33 -0.281 4.722 4.722 215 3HG1 VAL 33 2HG1 VAL 33 0.031 5.654 5.654 216 1HG2 VAL 33 1HG2 VAL 33 1.295 1.824 1.824 217 2HG2 VAL 33 2HG2 VAL 33 0.009 2.306 2.306 218 3HG2 VAL 33 3HG2 VAL 33 -0.127 2.715 2.715 219 H ILE 34 H ILE 34 3.207 5.635 5.635 220 HA ILE 34 HA ILE 34 4.845 7.266 7.266 221 HB ILE 34 HB ILE 34 4.910 8.196 8.196 222 1HG1 ILE 34 1HG1 ILE 34 5.222 5.191 5.191 223 2HG1 ILE 34 2HG1 ILE 34 4.048 6.077 6.077 224 1HG2 ILE 34 3HG2 ILE 34 6.640 8.161 8.161 225 2HG2 ILE 34 1HG2 ILE 34 7.076 6.559 6.559 226 3HG2 ILE 34 2HG2 ILE 34 7.205 7.998 7.998 227 1HD1 ILE 34 1HD1 ILE 34 7.088 6.178 6.178 228 2HD1 ILE 34 2HD1 ILE 34 5.988 5.253 5.253 229 3HD1 ILE 34 3HD1 ILE 34 5.925 7.032 7.032 230 H ASN 35 H ASN 35 1.864 7.206 7.206 231 HA ASN 35 HA ASN 35 1.373 9.926 9.926 232 1HB ASN 35 1HB ASN 35 1.406 9.228 9.228 233 2HB ASN 35 2HB ASN 35 -0.207 8.635 8.635 234 1HD2 ASN 35 1HD2 ASN 35 1.275 11.085 11.085 235 2HD2 ASN 35 2HD2 ASN 35 0.272 12.433 12.433 236 HA PRO 36 HA PRO 36 -1.596 7.201 7.201 237 1HB PRO 36 1HB PRO 36 -1.435 8.353 8.353 238 2HB PRO 36 2HB PRO 36 -0.453 6.985 6.985 239 1HG PRO 36 1HG PRO 36 0.333 9.821 9.821 240 2HG PRO 36 2HG PRO 36 1.355 8.400 8.400 241 1HD PRO 36 1HD PRO 36 0.909 10.287 10.287 242 2HD PRO 36 2HD PRO 36 1.838 8.804 8.804 243 H ASP 37 H ASP 37 -2.162 9.358 9.358 244 HA ASP 37 HA ASP 37 -4.746 9.796 9.796 245 1HB ASP 37 1HB ASP 37 -4.048 11.134 11.134 246 2HB ASP 37 2HB ASP 37 -2.903 12.035 12.035 247 H SER 38 H SER 38 -3.123 9.246 9.246 248 HA SER 38 HA SER 38 -2.477 11.500 11.500 249 1HB SER 38 1HB SER 38 -2.017 8.864 8.864 250 2HB SER 38 2HB SER 38 -3.384 8.991 8.991 251 HG SER 38 HG SER 38 -1.728 9.481 9.481 252 H ASP 39 H ASP 39 -3.756 11.165 11.165 253 HA ASP 39 HA ASP 39 -6.537 11.064 11.064 254 1HB ASP 39 1HB ASP 39 -6.924 13.517 13.517 255 2HB ASP 39 2HB ASP 39 -6.448 13.221 13.221 256 H LEU 40 H LEU 40 -4.304 10.038 10.038 257 HA LEU 40 HA LEU 40 -4.695 11.426 11.426 258 1HB LEU 40 1HB LEU 40 -2.832 9.128 9.128 259 2HB LEU 40 2HB LEU 40 -2.699 10.569 10.569 260 HG LEU 40 HG LEU 40 -2.489 10.743 10.743 261 1HD1 LEU 40 2HD1 LEU 40 -0.319 9.917 9.917 262 2HD1 LEU 40 3HD1 LEU 40 0.013 10.604 10.604 263 3HD1 LEU 40 1HD1 LEU 40 -0.880 9.071 9.071 264 1HD2 LEU 40 1HD2 LEU 40 -2.600 12.679 12.679 265 2HD2 LEU 40 2HD2 LEU 40 -1.819 12.861 12.861 266 3HD2 LEU 40 3HD2 LEU 40 -0.843 12.449 12.449 267 H ASP 41 H ASP 41 -3.947 8.811 8.811 268 HA ASP 41 HA ASP 41 -6.446 7.397 7.397 269 1HB ASP 41 1HB ASP 41 -6.883 8.838 8.838 270 2HB ASP 41 2HB ASP 41 -5.339 8.444 8.444 271 H CYS 42 H CYS 42 -3.266 7.221 7.221 272 HA CYS 42 HA CYS 42 -2.707 4.943 4.943 273 1HB CYS 42 1HB CYS 42 -0.488 5.040 5.040 274 2HB CYS 42 2HB CYS 42 -0.859 6.313 6.313 275 H VAL 43 H VAL 43 -4.084 5.687 5.687 276 HA VAL 43 HA VAL 43 -3.208 3.310 3.310 277 HB VAL 43 HB VAL 43 -5.574 4.967 4.967 278 1HG1 VAL 43 3HG1 VAL 43 -4.523 2.860 2.860 279 2HG1 VAL 43 1HG1 VAL 43 -3.376 4.072 4.072 280 3HG1 VAL 43 2HG1 VAL 43 -5.120 4.255 4.255 281 1HG2 VAL 43 3HG2 VAL 43 -2.773 5.906 5.906 282 2HG2 VAL 43 1HG2 VAL 43 -4.300 6.821 6.821 283 3HG2 VAL 43 2HG2 VAL 43 -3.570 6.297 6.297 284 H GLU 44 H GLU 44 -5.829 4.290 4.290 285 HA GLU 44 HA GLU 44 -7.578 2.223 2.223 286 1HB GLU 44 1HB GLU 44 -7.832 4.471 4.471 287 2HB GLU 44 2HB GLU 44 -7.594 3.333 3.333 288 1HG GLU 44 1HG GLU 44 -9.532 2.066 2.066 289 2HG GLU 44 2HG GLU 44 -9.595 2.723 2.723 290 H GLU 45 H GLU 45 -4.699 2.427 2.427 291 HA GLU 45 HA GLU 45 -5.340 0.003 0.003 292 1HB GLU 45 1HB GLU 45 -2.559 1.075 1.075 293 2HB GLU 45 2HB GLU 45 -3.605 0.546 0.546 294 1HG GLU 45 1HG GLU 45 -5.016 2.710 2.710 295 2HG GLU 45 2HG GLU 45 -3.538 3.235 3.235 296 H ALA 46 H ALA 46 -3.444 1.105 1.105 297 HA ALA 46 HA ALA 46 -1.838 -1.188 -1.188 298 1HB ALA 46 1HB ALA 46 -2.560 1.222 1.222 299 2HB ALA 46 2HB ALA 46 -2.084 -0.190 -0.190 300 3HB ALA 46 3HB ALA 46 -0.974 0.457 0.457 301 H ILE 47 H ILE 47 -5.219 -0.487 -0.487 302 HA ILE 47 HA ILE 47 -5.452 -2.764 -2.764 303 HB ILE 47 HB ILE 47 -7.124 -0.449 -0.449 304 1HG1 ILE 47 1HG1 ILE 47 -7.671 -1.085 -1.085 305 2HG1 ILE 47 2HG1 ILE 47 -6.004 -1.677 -1.677 306 1HG2 ILE 47 2HG2 ILE 47 -8.219 -3.185 -3.185 307 2HG2 ILE 47 3HG2 ILE 47 -9.054 -1.808 -1.808 308 3HG2 ILE 47 1HG2 ILE 47 -8.833 -1.855 -1.855 309 1HD1 ILE 47 2HD1 ILE 47 -6.783 1.054 1.054 310 2HD1 ILE 47 3HD1 ILE 47 -6.478 0.824 0.824 311 3HD1 ILE 47 1HD1 ILE 47 -5.193 0.476 0.476 312 H ASP 48 H ASP 48 -6.751 -1.666 -1.666 313 HA ASP 48 HA ASP 48 -8.047 -4.033 -4.033 314 1HB ASP 48 1HB ASP 48 -7.585 -1.562 -1.562 315 2HB ASP 48 2HB ASP 48 -6.883 -2.734 -2.734 316 H SER 49 H SER 49 -4.668 -3.193 -3.193 317 HA SER 49 HA SER 49 -3.955 -5.349 -5.349 318 1HB SER 49 1HB SER 49 -2.251 -3.238 -3.238 319 2HB SER 49 2HB SER 49 -1.615 -4.461 -4.461 320 HG SER 49 HG SER 49 -3.775 -2.888 -2.888 321 H CYS 50 H CYS 50 -4.357 -4.578 -4.578 322 HA CYS 50 HA CYS 50 -2.473 -6.539 -6.539 323 1HB CYS 50 1HB CYS 50 -2.723 -4.629 -4.629 324 2HB CYS 50 2HB CYS 50 -4.471 -4.750 -4.750 325 HA PRO 51 HA PRO 51 -5.600 -9.616 -9.616 326 1HB PRO 51 1HB PRO 51 -3.993 -11.793 -11.793 327 2HB PRO 51 2HB PRO 51 -4.196 -11.014 -11.014 328 1HG PRO 51 1HG PRO 51 -1.897 -10.881 -10.881 329 2HG PRO 51 2HG PRO 51 -1.959 -10.478 -10.478 330 1HD PRO 51 1HD PRO 51 -1.929 -8.637 -8.637 331 2HD PRO 51 2HD PRO 51 -2.107 -8.239 -8.239 332 H ALA 52 H ALA 52 -3.425 -9.366 -9.366 333 HA ALA 52 HA ALA 52 -5.090 -11.049 -11.049 334 1HB ALA 52 3HB ALA 52 -2.625 -9.339 -9.339 335 2HB ALA 52 1HB ALA 52 -3.455 -10.209 -10.209 336 3HB ALA 52 2HB ALA 52 -2.742 -11.114 -11.114 337 H GLU 53 H GLU 53 -5.370 -7.927 -7.927 338 HA GLU 53 HA GLU 53 -6.284 -6.046 -6.046 339 1HB GLU 53 1HB GLU 53 -8.140 -8.128 -8.128 340 2HB GLU 53 2HB GLU 53 -8.590 -7.365 -7.365 341 1HG GLU 53 1HG GLU 53 -9.294 -5.433 -5.433 342 2HG GLU 53 2HG GLU 53 -7.965 -5.433 -5.433 343 H ALA 54 H ALA 54 -4.380 -7.057 -7.057 344 HA ALA 54 HA ALA 54 -5.590 -6.837 -6.837 345 1HB ALA 54 1HB ALA 54 -2.907 -7.375 -7.375 346 2HB ALA 54 2HB ALA 54 -2.917 -6.625 -6.625 347 3HB ALA 54 3HB ALA 54 -3.749 -8.177 -8.177 348 H ILE 55 H ILE 55 -4.285 -4.674 -4.674 349 HA ILE 55 HA ILE 55 -3.942 -2.550 -2.550 350 HB ILE 55 HB ILE 55 -2.842 -3.214 -3.214 351 1HG1 ILE 55 1HG1 ILE 55 -1.744 -2.656 -2.656 352 2HG1 ILE 55 2HG1 ILE 55 -0.987 -2.045 -2.045 353 1HG2 ILE 55 3HG2 ILE 55 -4.129 -0.501 -0.501 354 2HG2 ILE 55 1HG2 ILE 55 -2.720 -0.775 -0.775 355 3HG2 ILE 55 2HG2 ILE 55 -4.238 -1.654 -1.654 356 1HD1 ILE 55 3HD1 ILE 55 -3.041 -0.263 -0.263 357 2HD1 ILE 55 1HD1 ILE 55 -1.608 -0.537 -0.537 358 3HD1 ILE 55 2HD1 ILE 55 -1.419 0.127 0.127 359 H VAL 56 H VAL 56 -5.749 -1.501 -1.501 360 HA VAL 56 HA VAL 56 -7.708 -0.906 -0.906 361 HB VAL 56 HB VAL 56 -9.422 -1.041 -1.041 362 1HG1 VAL 56 1HG1 VAL 56 -9.071 -2.849 -2.849 363 2HG1 VAL 56 2HG1 VAL 56 -7.917 -3.623 -3.623 364 3HG1 VAL 56 3HG1 VAL 56 -9.630 -3.467 -3.467 365 1HG2 VAL 56 2HG2 VAL 56 -7.065 -2.133 -2.133 366 2HG2 VAL 56 3HG2 VAL 56 -8.192 -0.833 -0.833 367 3HG2 VAL 56 1HG2 VAL 56 -8.748 -2.524 -2.524 368 H ARG 57 H ARG 57 -9.210 1.001 1.001 369 HA ARG 57 HA ARG 57 -7.399 2.917 2.917 370 1HB ARG 57 1HB ARG 57 -8.776 4.646 4.646 371 2HB ARG 57 2HB ARG 57 -7.580 3.681 3.681 372 1HG ARG 57 1HG ARG 57 -9.415 2.042 2.042 373 2HG ARG 57 2HG ARG 57 -10.580 3.120 3.120 374 1HD ARG 57 1HD ARG 57 -8.700 3.965 3.965 375 2HD ARG 57 2HD ARG 57 -10.336 3.396 3.396 376 HE ARG 57 HE ARG 57 -10.611 5.427 5.427 377 1HH1 ARG 57 2HH2 ARG 57 -9.266 5.215 5.215 378 2HH1 ARG 57 1HH2 ARG 57 -9.613 6.868 6.868 379 1HH2 ARG 57 2HH1 ARG 57 -11.055 7.570 7.570 380 2HH2 ARG 57 1HH1 ARG 57 -10.673 8.257 8.257 381 H SER 58 H SER 58 -9.116 1.309 1.309 382 HA SER 58 HA SER 58 -11.630 1.892 1.892 383 1HB SER 58 1HB SER 58 -10.421 0.395 0.395 384 2HB SER 58 2HB SER 58 -9.410 1.692 1.692 385 HG SER 58 HG SER 58 -10.876 2.047 2.047 Start of MODEL 10 1 HA PRO 1 HA PRO 1 -5.756 6.875 6.875 2 1HB PRO 1 1HB PRO 1 -3.813 5.305 5.305 3 2HB PRO 1 2HB PRO 1 -4.205 6.905 6.905 4 1HG PRO 1 1HG PRO 1 -4.879 4.276 4.276 5 2HG PRO 1 2HG PRO 1 -4.882 5.852 5.852 6 1HD PRO 1 1HD PRO 1 -7.172 4.374 4.374 7 2HD PRO 1 2HD PRO 1 -7.163 5.998 5.998 8 H ILE 2 H ILE 2 -3.674 5.078 5.078 9 HA ILE 2 HA ILE 2 -5.228 3.009 3.009 10 HB ILE 2 HB ILE 2 -3.734 3.480 3.480 11 1HG1 ILE 2 1HG1 ILE 2 -2.370 5.162 5.162 12 2HG1 ILE 2 2HG1 ILE 2 -2.560 5.429 5.429 13 1HG2 ILE 2 2HG2 ILE 2 -6.090 5.087 5.087 14 2HG2 ILE 2 3HG2 ILE 2 -5.278 5.522 5.522 15 3HG2 ILE 2 1HG2 ILE 2 -5.955 3.889 3.889 16 1HD1 ILE 2 3HD1 ILE 2 -4.768 6.536 6.536 17 2HD1 ILE 2 1HD1 ILE 2 -3.180 7.227 7.227 18 3HD1 ILE 2 2HD1 ILE 2 -3.782 7.316 7.316 19 H GLU 3 H GLU 3 -4.482 1.212 1.212 20 HA GLU 3 HA GLU 3 -1.624 0.803 0.803 21 1HB GLU 3 1HB GLU 3 -2.589 -0.305 -0.305 22 2HB GLU 3 2HB GLU 3 -1.249 0.789 0.789 23 1HG GLU 3 1HG GLU 3 -2.897 2.708 2.708 24 2HG GLU 3 2HG GLU 3 -4.185 1.588 1.588 25 H VAL 4 H VAL 4 -1.584 -1.707 -1.707 26 HA VAL 4 HA VAL 4 -3.557 -3.274 -3.274 27 HB VAL 4 HB VAL 4 -1.609 -4.936 -4.936 28 1HG1 VAL 4 3HG1 VAL 4 -2.220 -2.474 -2.474 29 2HG1 VAL 4 1HG1 VAL 4 -0.761 -3.388 -3.388 30 3HG1 VAL 4 2HG1 VAL 4 -2.350 -4.190 -4.190 31 1HG2 VAL 4 3HG2 VAL 4 -0.183 -3.199 -3.199 32 2HG2 VAL 4 1HG2 VAL 4 0.552 -4.289 -4.289 33 3HG2 VAL 4 2HG2 VAL 4 0.218 -2.593 -2.593 34 H ASN 5 H ASN 5 -1.045 -5.038 -5.038 35 HA ASN 5 HA ASN 5 -1.821 -4.932 -4.932 36 1HB ASN 5 1HB ASN 5 -2.985 -7.404 -7.404 37 2HB ASN 5 2HB ASN 5 -3.911 -5.918 -5.918 38 1HD2 ASN 5 1HD2 ASN 5 -5.539 -7.100 -7.100 39 2HD2 ASN 5 2HD2 ASN 5 -5.485 -7.283 -7.283 40 H ASP 6 H ASP 6 -1.451 -7.587 -7.587 41 HA ASP 6 HA ASP 6 1.251 -7.986 -7.986 42 1HB ASP 6 1HB ASP 6 0.825 -8.504 -8.504 43 2HB ASP 6 2HB ASP 6 -0.727 -9.236 -9.236 44 H ASP 7 H ASP 7 -1.940 -9.534 -9.534 45 HA ASP 7 HA ASP 7 -1.307 -11.942 -11.942 46 1HB ASP 7 1HB ASP 7 -3.589 -10.775 -10.775 47 2HB ASP 7 2HB ASP 7 -3.168 -10.039 -10.039 48 H CYS 8 H CYS 8 -1.255 -8.835 -8.835 49 HA CYS 8 HA CYS 8 -0.517 -9.801 -9.801 50 1HB CYS 8 1HB CYS 8 -0.970 -7.558 -7.558 51 2HB CYS 8 2HB CYS 8 -0.135 -7.207 -7.207 52 H MET 9 H MET 9 1.707 -9.742 -9.742 53 HA MET 9 HA MET 9 3.621 -10.855 -10.855 54 1HB MET 9 1HB MET 9 3.059 -12.286 -12.286 55 2HB MET 9 2HB MET 9 3.322 -10.969 -10.969 56 1HG MET 9 1HG MET 9 5.772 -10.919 -10.919 57 2HG MET 9 2HG MET 9 5.413 -12.466 -12.466 58 1HE MET 9 1HE MET 9 6.204 -14.426 -14.426 59 2HE MET 9 2HE MET 9 4.481 -14.604 -14.604 60 3HE MET 9 3HE MET 9 5.729 -14.957 -14.957 61 H ALA 10 H ALA 10 4.337 -9.393 -9.393 62 HA ALA 10 HA ALA 10 5.148 -6.896 -6.896 63 1HB ALA 10 3HB ALA 10 7.224 -9.041 -9.041 64 2HB ALA 10 1HB ALA 10 7.708 -7.386 -7.386 65 3HB ALA 10 2HB ALA 10 6.762 -7.671 -7.671 66 H CYS 11 H CYS 11 3.879 -8.159 -8.159 67 HA CYS 11 HA CYS 11 5.584 -8.783 -8.783 68 1HB CYS 11 1HB CYS 11 2.870 -8.748 -8.748 69 2HB CYS 11 2HB CYS 11 3.075 -7.441 -7.441 70 H GLU 12 H GLU 12 4.606 -5.737 -5.737 71 HA GLU 12 HA GLU 12 5.137 -3.661 -3.661 72 1HB GLU 12 1HB GLU 12 7.459 -4.916 -4.916 73 2HB GLU 12 2HB GLU 12 7.340 -3.189 -3.189 74 1HG GLU 12 1HG GLU 12 7.427 -3.464 -3.464 75 2HG GLU 12 2HG GLU 12 7.161 -5.193 -5.193 76 H ALA 13 H ALA 13 3.502 -5.307 -5.307 77 HA ALA 13 HA ALA 13 3.963 -4.083 -4.083 78 1HB ALA 13 3HB ALA 13 2.280 -6.108 -6.108 79 2HB ALA 13 1HB ALA 13 1.265 -4.979 -4.979 80 3HB ALA 13 2HB ALA 13 2.630 -5.803 -5.803 81 H CYS 14 H CYS 14 1.586 -3.536 -3.536 82 HA CYS 14 HA CYS 14 0.150 -1.530 -1.530 83 1HB CYS 14 1HB CYS 14 -0.056 -0.713 -0.713 84 2HB CYS 14 2HB CYS 14 -0.779 -2.224 -2.224 85 H VAL 15 H VAL 15 3.297 -1.444 -1.444 86 HA VAL 15 HA VAL 15 3.509 1.392 1.392 87 HB VAL 15 HB VAL 15 5.616 1.085 1.085 88 1HG1 VAL 15 3HG1 VAL 15 3.312 -0.333 -0.333 89 2HG1 VAL 15 1HG1 VAL 15 4.777 -1.230 -1.230 90 3HG1 VAL 15 2HG1 VAL 15 4.596 0.477 0.477 91 1HG2 VAL 15 2HG2 VAL 15 6.174 -0.819 -0.819 92 2HG2 VAL 15 3HG2 VAL 15 7.020 -0.727 -0.727 93 3HG2 VAL 15 1HG2 VAL 15 5.685 -1.883 -1.883 94 H GLU 16 H GLU 16 4.308 -1.353 -1.353 95 HA GLU 16 HA GLU 16 6.195 0.001 0.001 96 1HB GLU 16 1HB GLU 16 5.268 -2.596 -2.596 97 2HB GLU 16 2HB GLU 16 4.580 -2.096 -2.096 98 1HG GLU 16 1HG GLU 16 7.438 -1.324 -1.324 99 2HG GLU 16 2HG GLU 16 7.139 -3.045 -3.045 100 H ILE 17 H ILE 17 2.794 0.369 0.369 101 HA ILE 17 HA ILE 17 2.610 1.578 1.578 102 HB ILE 17 HB ILE 17 1.040 -0.345 -0.345 103 1HG1 ILE 17 1HG1 ILE 17 0.923 0.219 0.219 104 2HG1 ILE 17 2HG1 ILE 17 -0.712 0.505 0.505 105 1HG2 ILE 17 2HG2 ILE 17 0.349 1.374 1.374 106 2HG2 ILE 17 3HG2 ILE 17 -0.626 2.110 2.110 107 3HG2 ILE 17 1HG2 ILE 17 -0.919 0.423 0.423 108 1HD1 ILE 17 3HD1 ILE 17 0.313 2.964 2.964 109 2HD1 ILE 17 1HD1 ILE 17 1.393 2.436 2.436 110 3HD1 ILE 17 2HD1 ILE 17 -0.369 2.467 2.467 111 H CYS 18 H CYS 18 2.161 2.036 2.036 112 HA CYS 18 HA CYS 18 2.117 4.906 4.906 113 1HB CYS 18 1HB CYS 18 -0.154 3.634 3.634 114 2HB CYS 18 2HB CYS 18 0.517 3.960 3.960 115 HA PRO 19 HA PRO 19 5.266 3.602 3.602 116 1HB PRO 19 1HB PRO 19 7.446 4.704 4.704 117 2HB PRO 19 2HB PRO 19 6.967 3.032 3.032 118 1HG PRO 19 1HG PRO 19 6.658 5.307 5.307 119 2HG PRO 19 2HG PRO 19 6.586 3.591 3.591 120 1HD PRO 19 1HD PRO 19 4.364 5.393 5.393 121 2HD PRO 19 2HD PRO 19 4.287 3.657 3.657 122 H ASP 20 H ASP 20 3.691 6.263 6.263 123 HA ASP 20 HA ASP 20 5.361 8.005 8.005 124 1HB ASP 20 1HB ASP 20 3.969 8.478 8.478 125 2HB ASP 20 2HB ASP 20 2.728 8.910 8.910 126 H VAL 21 H VAL 21 2.685 5.852 5.852 127 HA VAL 21 HA VAL 21 1.683 7.260 7.260 128 HB VAL 21 HB VAL 21 0.277 5.301 5.301 129 1HG1 VAL 21 3HG1 VAL 21 -0.509 6.646 6.646 130 2HG1 VAL 21 1HG1 VAL 21 -1.747 6.255 6.255 131 3HG1 VAL 21 2HG1 VAL 21 -0.746 4.959 4.959 132 1HG2 VAL 21 2HG2 VAL 21 0.182 8.313 8.313 133 2HG2 VAL 21 3HG2 VAL 21 0.433 7.308 7.308 134 3HG2 VAL 21 1HG2 VAL 21 -1.171 7.379 7.379 135 H PHE 22 H PHE 22 3.076 4.327 4.327 136 HA PHE 22 HA PHE 22 3.257 3.259 3.259 137 1HB PHE 22 1HB PHE 22 2.815 1.573 1.573 138 2HB PHE 22 2HB PHE 22 2.601 1.066 1.066 139 HD1 PHE 22 2HD PHE 22 0.723 2.317 2.317 140 HD2 PHE 22 1HD PHE 22 0.959 2.198 2.198 141 HE1 PHE 22 2HE PHE 22 -1.725 2.852 2.852 142 HE2 PHE 22 1HE PHE 22 -1.490 2.733 2.733 143 HZ PHE 22 HZ PHE 22 -2.802 3.053 3.053 144 H GLU 23 H GLU 23 5.243 2.338 2.338 145 HA GLU 23 HA GLU 23 7.047 1.790 1.790 146 1HB GLU 23 1HB GLU 23 7.758 4.008 4.008 147 2HB GLU 23 2HB GLU 23 7.438 3.990 3.990 148 1HG GLU 23 1HG GLU 23 9.489 2.024 2.024 149 2HG GLU 23 2HG GLU 23 9.940 3.709 3.709 150 H MET 24 H MET 24 8.567 0.163 0.163 151 HA MET 24 HA MET 24 7.945 -1.690 -1.690 152 1HB MET 24 1HB MET 24 10.872 -0.988 -0.988 153 2HB MET 24 2HB MET 24 10.153 -2.584 -2.584 154 1HG MET 24 1HG MET 24 10.158 -2.535 -2.535 155 2HG MET 24 2HG MET 24 8.739 -1.521 -1.521 156 1HE MET 24 1HE MET 24 10.657 -1.691 -1.691 157 2HE MET 24 2HE MET 24 11.772 -0.323 -0.323 158 3HE MET 24 3HE MET 24 12.241 -1.683 -1.683 159 H ASN 25 H ASN 25 8.441 -2.260 -2.260 160 HA ASN 25 HA ASN 25 8.631 -0.149 -0.149 161 1HB ASN 25 1HB ASN 25 7.832 -2.658 -2.658 162 2HB ASN 25 2HB ASN 25 9.508 -2.975 -2.975 163 1HD2 ASN 25 1HD2 ASN 25 9.826 -3.056 -3.056 164 2HD2 ASN 25 2HD2 ASN 25 9.114 -2.052 -2.052 165 H GLU 26 H GLU 26 10.638 -1.657 -1.657 166 HA GLU 26 HA GLU 26 12.902 -0.178 -0.178 167 1HB GLU 26 1HB GLU 26 11.961 -1.033 -1.033 168 2HB GLU 26 2HB GLU 26 13.172 -2.268 -2.268 169 1HG GLU 26 1HG GLU 26 14.772 -0.274 -0.274 170 2HG GLU 26 2HG GLU 26 13.571 0.740 0.740 171 H GLU 27 H GLU 27 11.727 -3.461 -3.461 172 HA GLU 27 HA GLU 27 14.208 -4.028 -4.028 173 1HB GLU 27 1HB GLU 27 12.823 -6.241 -6.241 174 2HB GLU 27 2HB GLU 27 14.482 -6.161 -6.161 175 1HG GLU 27 1HG GLU 27 14.701 -4.122 -4.122 176 2HG GLU 27 2HG GLU 27 13.222 -4.734 -4.734 177 H GLY 28 H GLY 28 11.047 -3.391 -3.391 178 1HA GLY 28 1HA GLY 28 9.610 -3.725 -3.725 179 2HA GLY 28 2HA GLY 28 10.791 -4.757 -4.757 180 H ASP 29 H ASP 29 9.902 -5.444 -5.444 181 HA ASP 29 HA ASP 29 8.997 -8.001 -8.001 182 1HB ASP 29 1HB ASP 29 10.084 -6.935 -6.935 183 2HB ASP 29 2HB ASP 29 8.394 -6.961 -6.961 184 H LYS 30 H LYS 30 7.574 -4.917 -4.917 185 HA LYS 30 HA LYS 30 4.995 -5.900 -5.900 186 1HB LYS 30 1HB LYS 30 5.628 -5.345 -5.345 187 2HB LYS 30 2HB LYS 30 4.272 -4.400 -4.400 188 1HG LYS 30 1HG LYS 30 2.918 -6.220 -6.220 189 2HG LYS 30 2HG LYS 30 4.042 -7.117 -7.117 190 1HD LYS 30 1HD LYS 30 5.419 -7.550 -7.550 191 2HD LYS 30 2HD LYS 30 4.077 -6.882 -6.882 192 1HE LYS 30 1HE LYS 30 3.558 -9.168 -9.168 193 2HE LYS 30 2HE LYS 30 2.628 -8.629 -8.629 194 1HZ LYS 30 1HZ LYS 30 4.629 -9.318 -9.318 195 2HZ LYS 30 2HZ LYS 30 5.272 -9.974 -9.974 196 H ALA 31 H ALA 31 3.921 -4.396 -4.396 197 HA ALA 31 HA ALA 31 5.291 -2.132 -2.132 198 1HB ALA 31 3HB ALA 31 2.422 -3.084 -3.084 199 2HB ALA 31 1HB ALA 31 2.946 -1.547 -1.547 200 3HB ALA 31 2HB ALA 31 3.682 -3.081 -3.081 201 H VAL 32 H VAL 32 5.795 -0.364 -0.364 202 HA VAL 32 HA VAL 32 4.177 0.299 0.299 203 HB VAL 32 HB VAL 32 6.858 0.576 0.576 204 1HG1 VAL 32 2HG1 VAL 32 6.117 2.737 2.737 205 2HG1 VAL 32 3HG1 VAL 32 5.686 3.318 3.318 206 3HG1 VAL 32 1HG1 VAL 32 7.375 2.905 2.905 207 1HG2 VAL 32 3HG2 VAL 32 5.933 0.058 0.058 208 2HG2 VAL 32 1HG2 VAL 32 7.190 1.317 1.317 209 3HG2 VAL 32 2HG2 VAL 32 5.474 1.769 1.769 210 H VAL 33 H VAL 33 3.375 2.567 2.567 211 HA VAL 33 HA VAL 33 2.359 3.600 3.600 212 HB VAL 33 HB VAL 33 1.197 3.659 3.659 213 1HG1 VAL 33 1HG1 VAL 33 0.303 5.008 5.008 214 2HG1 VAL 33 2HG1 VAL 33 -0.818 4.658 4.658 215 3HG1 VAL 33 3HG1 VAL 33 0.576 5.732 5.732 216 1HG2 VAL 33 1HG2 VAL 33 0.987 1.489 1.489 217 2HG2 VAL 33 2HG2 VAL 33 -0.597 2.288 2.288 218 3HG2 VAL 33 3HG2 VAL 33 0.259 2.278 2.278 219 H ILE 34 H ILE 34 2.910 5.649 5.649 220 HA ILE 34 HA ILE 34 4.444 7.176 7.176 221 HB ILE 34 HB ILE 34 4.734 8.281 8.281 222 1HG1 ILE 34 1HG1 ILE 34 5.025 5.262 5.262 223 2HG1 ILE 34 2HG1 ILE 34 3.857 6.225 6.225 224 1HG2 ILE 34 1HG2 ILE 34 6.387 6.985 6.985 225 2HG2 ILE 34 2HG2 ILE 34 7.069 6.976 6.976 226 3HG2 ILE 34 3HG2 ILE 34 6.620 8.518 8.518 227 1HD1 ILE 34 1HD1 ILE 34 6.462 7.314 7.314 228 2HD1 ILE 34 2HD1 ILE 34 6.598 5.545 5.545 229 3HD1 ILE 34 3HD1 ILE 34 5.424 6.429 6.429 230 H ASN 35 H ASN 35 1.737 7.279 7.279 231 HA ASN 35 HA ASN 35 1.031 9.850 9.850 232 1HB ASN 35 1HB ASN 35 1.465 9.402 9.402 233 2HB ASN 35 2HB ASN 35 -0.214 8.905 8.905 234 1HD2 ASN 35 1HD2 ASN 35 0.988 11.171 11.171 235 2HD2 ASN 35 2HD2 ASN 35 0.234 12.608 12.608 236 HA PRO 36 HA PRO 36 -2.172 6.913 6.913 237 1HB PRO 36 1HB PRO 36 -2.533 7.890 7.890 238 2HB PRO 36 2HB PRO 36 -1.409 6.599 6.599 239 1HG PRO 36 1HG PRO 36 -0.838 9.434 9.434 240 2HG PRO 36 2HG PRO 36 0.251 8.062 8.062 241 1HD PRO 36 1HD PRO 36 0.108 10.078 10.078 242 2HD PRO 36 2HD PRO 36 1.114 8.644 8.644 243 H ASP 37 H ASP 37 -2.395 9.368 9.368 244 HA ASP 37 HA ASP 37 -5.140 9.610 9.610 245 1HB ASP 37 1HB ASP 37 -4.550 10.920 10.920 246 2HB ASP 37 2HB ASP 37 -3.553 11.986 11.986 247 H SER 38 H SER 38 -3.444 9.080 9.080 248 HA SER 38 HA SER 38 -2.406 11.255 11.255 249 1HB SER 38 1HB SER 38 -2.570 8.509 8.509 250 2HB SER 38 2HB SER 38 -3.527 9.144 9.144 251 HG SER 38 HG SER 38 -1.572 9.329 9.329 252 H ASP 39 H ASP 39 -3.622 11.062 11.062 253 HA ASP 39 HA ASP 39 -6.376 11.513 11.513 254 1HB ASP 39 1HB ASP 39 -4.673 13.774 13.774 255 2HB ASP 39 2HB ASP 39 -5.423 14.058 14.058 256 H LEU 40 H LEU 40 -4.328 10.019 10.019 257 HA LEU 40 HA LEU 40 -4.553 11.324 11.324 258 1HB LEU 40 1HB LEU 40 -2.776 9.315 9.315 259 2HB LEU 40 2HB LEU 40 -2.365 10.979 10.979 260 HG LEU 40 HG LEU 40 -2.316 10.349 10.349 261 1HD1 LEU 40 2HD1 LEU 40 -3.264 7.840 7.840 262 2HD1 LEU 40 3HD1 LEU 40 -1.766 7.610 7.610 263 3HD1 LEU 40 1HD1 LEU 40 -3.175 8.391 8.391 264 1HD2 LEU 40 2HD2 LEU 40 -0.400 9.696 9.696 265 2HD2 LEU 40 3HD2 LEU 40 -0.158 10.504 10.504 266 3HD2 LEU 40 1HD2 LEU 40 -0.168 8.726 8.726 267 H ASP 41 H ASP 41 -4.201 9.088 9.088 268 HA ASP 41 HA ASP 41 -6.634 7.618 7.618 269 1HB ASP 41 1HB ASP 41 -6.520 9.170 9.170 270 2HB ASP 41 2HB ASP 41 -5.428 7.984 7.984 271 H CYS 42 H CYS 42 -3.543 7.225 7.225 272 HA CYS 42 HA CYS 42 -3.193 4.725 4.725 273 1HB CYS 42 1HB CYS 42 -0.835 4.891 4.891 274 2HB CYS 42 2HB CYS 42 -1.300 6.029 6.029 275 H VAL 43 H VAL 43 -4.982 5.441 5.441 276 HA VAL 43 HA VAL 43 -3.750 3.620 3.620 277 HB VAL 43 HB VAL 43 -5.772 5.832 5.832 278 1HG1 VAL 43 3HG1 VAL 43 -5.492 3.485 3.485 279 2HG1 VAL 43 1HG1 VAL 43 -6.035 5.075 5.075 280 3HG1 VAL 43 2HG1 VAL 43 -6.968 4.222 4.222 281 1HG2 VAL 43 3HG2 VAL 43 -3.120 5.865 5.865 282 2HG2 VAL 43 1HG2 VAL 43 -4.252 6.893 6.893 283 3HG2 VAL 43 2HG2 VAL 43 -3.650 5.379 5.379 284 H GLU 44 H GLU 44 -6.375 4.052 4.052 285 HA GLU 44 HA GLU 44 -7.844 1.852 1.852 286 1HB GLU 44 1HB GLU 44 -8.257 3.892 3.892 287 2HB GLU 44 2HB GLU 44 -9.057 2.353 2.353 288 1HG GLU 44 1HG GLU 44 -9.615 2.828 2.828 289 2HG GLU 44 2HG GLU 44 -9.593 4.460 4.460 290 H GLU 45 H GLU 45 -5.323 2.445 2.445 291 HA GLU 45 HA GLU 45 -5.869 0.022 0.022 292 1HB GLU 45 1HB GLU 45 -3.902 0.641 0.641 293 2HB GLU 45 2HB GLU 45 -4.987 2.007 2.007 294 1HG GLU 45 1HG GLU 45 -3.537 2.743 2.743 295 2HG GLU 45 2HG GLU 45 -2.380 1.530 1.530 296 H ALA 46 H ALA 46 -4.231 0.982 0.982 297 HA ALA 46 HA ALA 46 -2.261 -1.132 -1.132 298 1HB ALA 46 2HB ALA 46 -2.024 1.245 1.245 299 2HB ALA 46 3HB ALA 46 -2.925 0.559 0.559 300 3HB ALA 46 1HB ALA 46 -1.364 -0.147 -0.147 301 H ILE 47 H ILE 47 -5.570 -0.656 -0.656 302 HA ILE 47 HA ILE 47 -5.452 -2.946 -2.946 303 HB ILE 47 HB ILE 47 -7.557 -0.863 -0.863 304 1HG1 ILE 47 1HG1 ILE 47 -6.286 -1.446 -1.446 305 2HG1 ILE 47 2HG1 ILE 47 -5.448 -0.429 -0.429 306 1HG2 ILE 47 1HG2 ILE 47 -7.763 -3.509 -3.509 307 2HG2 ILE 47 2HG2 ILE 47 -8.585 -2.121 -2.121 308 3HG2 ILE 47 3HG2 ILE 47 -8.976 -2.586 -2.586 309 1HD1 ILE 47 1HD1 ILE 47 -8.254 0.328 0.328 310 2HD1 ILE 47 2HD1 ILE 47 -7.465 0.326 0.326 311 3HD1 ILE 47 3HD1 ILE 47 -6.798 1.314 1.314 312 H ASP 48 H ASP 48 -7.006 -1.763 -1.763 313 HA ASP 48 HA ASP 48 -8.560 -3.976 -3.976 314 1HB ASP 48 1HB ASP 48 -8.125 -1.617 -1.617 315 2HB ASP 48 2HB ASP 48 -7.219 -2.676 -2.676 316 H SER 49 H SER 49 -5.133 -3.205 -3.205 317 HA SER 49 HA SER 49 -4.790 -5.596 -5.596 318 1HB SER 49 1HB SER 49 -2.847 -3.526 -3.526 319 2HB SER 49 2HB SER 49 -2.312 -4.917 -4.917 320 HG SER 49 HG SER 49 -2.868 -2.717 -2.717 321 H CYS 50 H CYS 50 -5.092 -4.915 -4.915 322 HA CYS 50 HA CYS 50 -3.158 -6.872 -6.872 323 1HB CYS 50 1HB CYS 50 -3.390 -4.904 -4.904 324 2HB CYS 50 2HB CYS 50 -5.124 -5.123 -5.123 325 HA PRO 51 HA PRO 51 -6.352 -9.894 -9.894 326 1HB PRO 51 1HB PRO 51 -4.770 -12.098 -12.098 327 2HB PRO 51 2HB PRO 51 -5.009 -11.307 -11.307 328 1HG PRO 51 1HG PRO 51 -2.650 -11.223 -11.223 329 2HG PRO 51 2HG PRO 51 -2.758 -10.809 -10.809 330 1HD PRO 51 1HD PRO 51 -2.630 -8.981 -8.981 331 2HD PRO 51 2HD PRO 51 -2.854 -8.571 -8.571 332 H ALA 52 H ALA 52 -4.081 -9.716 -9.716 333 HA ALA 52 HA ALA 52 -5.760 -11.353 -11.353 334 1HB ALA 52 1HB ALA 52 -3.047 -10.317 -10.317 335 2HB ALA 52 2HB ALA 52 -3.831 -9.982 -9.982 336 3HB ALA 52 3HB ALA 52 -3.738 -11.651 -11.651 337 H GLU 53 H GLU 53 -5.890 -8.186 -8.186 338 HA GLU 53 HA GLU 53 -6.664 -6.270 -6.270 339 1HB GLU 53 1HB GLU 53 -8.695 -8.369 -8.369 340 2HB GLU 53 2HB GLU 53 -9.079 -7.098 -7.098 341 1HG GLU 53 1HG GLU 53 -8.962 -5.390 -5.390 342 2HG GLU 53 2HG GLU 53 -8.315 -6.536 -6.536 343 H ALA 54 H ALA 54 -4.783 -7.388 -7.388 344 HA ALA 54 HA ALA 54 -5.938 -7.223 -7.223 345 1HB ALA 54 2HB ALA 54 -3.903 -8.618 -8.618 346 2HB ALA 54 3HB ALA 54 -2.987 -7.106 -7.106 347 3HB ALA 54 1HB ALA 54 -3.803 -7.858 -7.858 348 H ILE 55 H ILE 55 -4.926 -4.981 -4.981 349 HA ILE 55 HA ILE 55 -4.097 -2.976 -2.976 350 HB ILE 55 HB ILE 55 -2.856 -3.074 -3.074 351 1HG1 ILE 55 1HG1 ILE 55 -4.404 -0.711 -0.711 352 2HG1 ILE 55 2HG1 ILE 55 -4.026 -0.773 -0.773 353 1HG2 ILE 55 2HG2 ILE 55 -5.531 -3.284 -3.284 354 2HG2 ILE 55 3HG2 ILE 55 -4.232 -2.458 -2.458 355 3HG2 ILE 55 1HG2 ILE 55 -4.009 -4.138 -4.138 356 1HD1 ILE 55 1HD1 ILE 55 -1.616 -1.213 -1.213 357 2HD1 ILE 55 2HD1 ILE 55 -2.092 -0.949 -0.949 358 3HD1 ILE 55 3HD1 ILE 55 -2.231 0.376 0.376 359 H VAL 56 H VAL 56 -5.605 -1.922 -1.922 360 HA VAL 56 HA VAL 56 -8.186 -1.434 -1.434 361 HB VAL 56 HB VAL 56 -8.911 -1.129 -1.129 362 1HG1 VAL 56 1HG1 VAL 56 -8.224 -3.797 -3.797 363 2HG1 VAL 56 2HG1 VAL 56 -9.155 -3.654 -3.654 364 3HG1 VAL 56 3HG1 VAL 56 -9.786 -2.943 -2.943 365 1HG2 VAL 56 3HG2 VAL 56 -6.362 -1.268 -1.268 366 2HG2 VAL 56 1HG2 VAL 56 -7.622 -1.959 -1.959 367 3HG2 VAL 56 2HG2 VAL 56 -6.675 -3.021 -3.021 368 H ARG 57 H ARG 57 -9.241 0.662 0.662 369 HA ARG 57 HA ARG 57 -7.198 2.666 2.666 370 1HB ARG 57 1HB ARG 57 -8.507 4.191 4.191 371 2HB ARG 57 2HB ARG 57 -7.866 2.791 2.791 372 1HG ARG 57 1HG ARG 57 -10.019 1.674 1.674 373 2HG ARG 57 2HG ARG 57 -10.688 2.831 2.831 374 1HD ARG 57 1HD ARG 57 -11.132 4.378 4.378 375 2HD ARG 57 2HD ARG 57 -9.609 4.094 4.094 376 HE ARG 57 HE ARG 57 -10.689 2.574 2.574 377 1HH1 ARG 57 2HH2 ARG 57 -12.680 3.032 3.032 378 2HH1 ARG 57 1HH2 ARG 57 -14.002 2.095 2.095 379 1HH2 ARG 57 2HH1 ARG 57 -12.411 1.359 1.359 380 2HH2 ARG 57 1HH1 ARG 57 -13.835 1.107 1.107 381 H SER 58 H SER 58 -8.501 1.621 1.621 382 HA SER 58 HA SER 58 -10.945 2.389 2.389 383 1HB SER 58 1HB SER 58 -9.283 1.131 1.131 384 2HB SER 58 2HB SER 58 -8.490 2.648 2.648 385 HG SER 58 HG SER 58 -11.128 2.989 2.989 Start of MODEL 11 1 HA PRO 1 HA PRO 1 -7.854 6.646 6.646 2 1HB PRO 1 1HB PRO 1 -5.532 7.523 7.523 3 2HB PRO 1 2HB PRO 1 -6.593 8.562 8.562 4 1HG PRO 1 1HG PRO 1 -3.995 7.393 7.393 5 2HG PRO 1 2HG PRO 1 -4.852 8.742 8.742 6 1HD PRO 1 1HD PRO 1 -4.677 6.073 6.073 7 2HD PRO 1 2HD PRO 1 -5.628 7.392 7.392 8 H ILE 2 H ILE 2 -4.564 5.704 5.704 9 HA ILE 2 HA ILE 2 -5.713 3.356 3.356 10 HB ILE 2 HB ILE 2 -3.712 3.597 3.597 11 1HG1 ILE 2 1HG1 ILE 2 -2.598 5.264 5.264 12 2HG1 ILE 2 2HG1 ILE 2 -2.480 5.570 5.570 13 1HG2 ILE 2 2HG2 ILE 2 -6.196 5.187 5.187 14 2HG2 ILE 2 3HG2 ILE 2 -4.940 5.787 5.787 15 3HG2 ILE 2 1HG2 ILE 2 -5.540 4.118 4.118 16 1HD1 ILE 2 2HD1 ILE 2 -4.886 6.804 6.804 17 2HD1 ILE 2 3HD1 ILE 2 -3.645 7.194 7.194 18 3HD1 ILE 2 1HD1 ILE 2 -3.377 7.609 7.609 19 H GLU 3 H GLU 3 -5.367 1.671 1.671 20 HA GLU 3 HA GLU 3 -2.661 1.491 1.491 21 1HB GLU 3 1HB GLU 3 -3.629 0.214 0.214 22 2HB GLU 3 2HB GLU 3 -4.301 1.829 1.829 23 1HG GLU 3 1HG GLU 3 -6.136 0.580 0.580 24 2HG GLU 3 2HG GLU 3 -5.610 -0.816 -0.816 25 H VAL 4 H VAL 4 -2.061 -0.928 -0.928 26 HA VAL 4 HA VAL 4 -3.121 -2.601 -2.601 27 HB VAL 4 HB VAL 4 -0.908 -1.730 -1.730 28 1HG1 VAL 4 2HG1 VAL 4 -0.165 -2.901 -2.901 29 2HG1 VAL 4 3HG1 VAL 4 1.046 -2.630 -2.630 30 3HG1 VAL 4 1HG1 VAL 4 0.121 -1.258 -1.258 31 1HG2 VAL 4 2HG2 VAL 4 -0.908 -4.684 -4.684 32 2HG2 VAL 4 3HG2 VAL 4 -1.511 -3.952 -3.952 33 3HG2 VAL 4 1HG2 VAL 4 0.224 -3.888 -3.888 34 H ASN 5 H ASN 5 -2.833 -4.989 -4.989 35 HA ASN 5 HA ASN 5 -3.570 -5.425 -5.425 36 1HB ASN 5 1HB ASN 5 -3.534 -7.227 -7.227 37 2HB ASN 5 2HB ASN 5 -4.003 -7.811 -7.811 38 1HD2 ASN 5 1HD2 ASN 5 -6.057 -8.296 -8.296 39 2HD2 ASN 5 2HD2 ASN 5 -7.271 -7.085 -7.085 40 H ASP 6 H ASP 6 -2.709 -8.067 -8.067 41 HA ASP 6 HA ASP 6 0.167 -7.678 -7.678 42 1HB ASP 6 1HB ASP 6 -0.925 -8.027 -8.027 43 2HB ASP 6 2HB ASP 6 -1.684 -9.497 -9.497 44 H ASP 7 H ASP 7 -2.504 -9.687 -9.687 45 HA ASP 7 HA ASP 7 -1.137 -12.037 -12.037 46 1HB ASP 7 1HB ASP 7 -3.704 -11.237 -11.237 47 2HB ASP 7 2HB ASP 7 -3.216 -11.090 -11.090 48 H CYS 8 H CYS 8 -0.988 -8.883 -8.883 49 HA CYS 8 HA CYS 8 -0.399 -9.486 -9.486 50 1HB CYS 8 1HB CYS 8 -0.652 -7.233 -7.233 51 2HB CYS 8 2HB CYS 8 0.161 -7.206 -7.206 52 H MET 9 H MET 9 1.480 -10.187 -10.187 53 HA MET 9 HA MET 9 3.548 -11.179 -11.179 54 1HB MET 9 1HB MET 9 2.600 -11.796 -11.796 55 2HB MET 9 2HB MET 9 4.224 -12.267 -12.267 56 1HG MET 9 1HG MET 9 2.438 -13.052 -13.052 57 2HG MET 9 2HG MET 9 1.737 -13.595 -13.595 58 1HE MET 9 1HE MET 9 2.039 -15.624 -15.624 59 2HE MET 9 2HE MET 9 3.381 -15.206 -15.206 60 3HE MET 9 3HE MET 9 3.500 -16.640 -16.640 61 H ALA 10 H ALA 10 2.875 -8.582 -8.582 62 HA ALA 10 HA ALA 10 4.183 -6.788 -6.788 63 1HB ALA 10 3HB ALA 10 5.745 -8.028 -8.028 64 2HB ALA 10 1HB ALA 10 6.792 -8.164 -8.164 65 3HB ALA 10 2HB ALA 10 6.241 -6.563 -6.563 66 H CYS 11 H CYS 11 3.166 -7.643 -7.643 67 HA CYS 11 HA CYS 11 4.821 -9.151 -9.151 68 1HB CYS 11 1HB CYS 11 2.153 -8.000 -8.000 69 2HB CYS 11 2HB CYS 11 2.965 -7.776 -7.776 70 H GLU 12 H GLU 12 4.069 -5.667 -5.667 71 HA GLU 12 HA GLU 12 5.442 -3.953 -3.953 72 1HB GLU 12 1HB GLU 12 7.594 -4.157 -4.157 73 2HB GLU 12 2HB GLU 12 7.283 -5.854 -5.854 74 1HG GLU 12 1HG GLU 12 7.929 -6.109 -6.109 75 2HG GLU 12 2HG GLU 12 6.264 -5.678 -5.678 76 H ALA 13 H ALA 13 3.236 -5.428 -5.428 77 HA ALA 13 HA ALA 13 3.563 -4.255 -4.255 78 1HB ALA 13 1HB ALA 13 2.165 -6.286 -6.286 79 2HB ALA 13 2HB ALA 13 0.978 -5.145 -5.145 80 3HB ALA 13 3HB ALA 13 1.361 -5.105 -5.105 81 H CYS 14 H CYS 14 1.615 -3.390 -3.390 82 HA CYS 14 HA CYS 14 0.485 -1.107 -1.107 83 1HB CYS 14 1HB CYS 14 -0.158 -0.516 -0.516 84 2HB CYS 14 2HB CYS 14 -0.350 -2.245 -2.245 85 H VAL 15 H VAL 15 3.637 -1.836 -1.836 86 HA VAL 15 HA VAL 15 4.367 0.888 0.888 87 HB VAL 15 HB VAL 15 5.959 -1.682 -1.682 88 1HG1 VAL 15 1HG1 VAL 15 6.847 1.065 1.065 89 2HG1 VAL 15 2HG1 VAL 15 7.291 0.256 0.256 90 3HG1 VAL 15 3HG1 VAL 15 7.806 -0.434 -0.434 91 1HG2 VAL 15 1HG2 VAL 15 4.183 -1.438 -1.438 92 2HG2 VAL 15 2HG2 VAL 15 5.843 -1.687 -1.687 93 3HG2 VAL 15 3HG2 VAL 15 5.118 -0.061 -0.061 94 H GLU 16 H GLU 16 4.528 -1.479 -1.479 95 HA GLU 16 HA GLU 16 6.349 0.160 0.160 96 1HB GLU 16 1HB GLU 16 6.006 -2.482 -2.482 97 2HB GLU 16 2HB GLU 16 4.792 -2.120 -2.120 98 1HG GLU 16 1HG GLU 16 6.371 -1.214 -1.214 99 2HG GLU 16 2HG GLU 16 7.540 -0.873 -0.873 100 H ILE 17 H ILE 17 3.000 0.159 0.159 101 HA ILE 17 HA ILE 17 2.347 1.345 1.345 102 HB ILE 17 HB ILE 17 1.033 -0.536 -0.536 103 1HG1 ILE 17 1HG1 ILE 17 0.493 0.220 0.220 104 2HG1 ILE 17 2HG1 ILE 17 -0.987 0.125 0.125 105 1HG2 ILE 17 2HG2 ILE 17 0.749 1.416 1.416 106 2HG2 ILE 17 3HG2 ILE 17 -0.697 1.723 1.723 107 3HG2 ILE 17 1HG2 ILE 17 -0.447 0.122 0.122 108 1HD1 ILE 17 1HD1 ILE 17 -0.241 2.717 2.717 109 2HD1 ILE 17 2HD1 ILE 17 0.420 2.472 2.472 110 3HD1 ILE 17 3HD1 ILE 17 -1.315 2.220 2.220 111 H CYS 18 H CYS 18 2.736 2.022 2.022 112 HA CYS 18 HA CYS 18 2.873 4.807 4.807 113 1HB CYS 18 1HB CYS 18 0.342 4.045 4.045 114 2HB CYS 18 2HB CYS 18 0.828 4.227 4.227 115 HA PRO 19 HA PRO 19 5.435 3.299 3.299 116 1HB PRO 19 1HB PRO 19 7.776 4.454 4.454 117 2HB PRO 19 2HB PRO 19 7.311 2.822 2.822 118 1HG PRO 19 1HG PRO 19 7.289 5.263 5.263 119 2HG PRO 19 2HG PRO 19 7.244 3.586 3.586 120 1HD PRO 19 1HD PRO 19 5.036 5.415 5.415 121 2HD PRO 19 2HD PRO 19 4.970 3.710 3.710 122 H ASP 20 H ASP 20 3.993 6.041 6.041 123 HA ASP 20 HA ASP 20 5.454 7.592 7.592 124 1HB ASP 20 1HB ASP 20 4.371 8.291 8.291 125 2HB ASP 20 2HB ASP 20 3.043 8.721 8.721 126 H VAL 21 H VAL 21 2.748 5.499 5.499 127 HA VAL 21 HA VAL 21 1.389 6.733 6.733 128 HB VAL 21 HB VAL 21 0.270 4.838 4.838 129 1HG1 VAL 21 2HG1 VAL 21 -0.966 6.390 6.390 130 2HG1 VAL 21 3HG1 VAL 21 -1.924 5.726 5.726 131 3HG1 VAL 21 1HG1 VAL 21 -0.995 4.634 4.634 132 1HG2 VAL 21 3HG2 VAL 21 0.953 7.080 7.080 133 2HG2 VAL 21 1HG2 VAL 21 -0.783 6.711 6.711 134 3HG2 VAL 21 2HG2 VAL 21 -0.209 7.826 7.826 135 H PHE 22 H PHE 22 2.943 3.853 3.853 136 HA PHE 22 HA PHE 22 2.869 2.675 2.675 137 1HB PHE 22 1HB PHE 22 2.421 1.093 1.093 138 2HB PHE 22 2HB PHE 22 2.127 0.543 0.543 139 HD1 PHE 22 2HD PHE 22 0.280 1.842 1.842 140 HD2 PHE 22 1HD PHE 22 0.647 1.878 1.878 141 HE1 PHE 22 2HE PHE 22 -2.128 2.523 2.523 142 HE2 PHE 22 1HE PHE 22 -1.761 2.557 2.557 143 HZ PHE 22 HZ PHE 22 -3.120 2.872 2.872 144 H GLU 23 H GLU 23 4.868 1.973 1.973 145 HA GLU 23 HA GLU 23 6.681 1.155 1.155 146 1HB GLU 23 1HB GLU 23 7.531 3.316 3.316 147 2HB GLU 23 2HB GLU 23 7.052 3.507 3.507 148 1HG GLU 23 1HG GLU 23 8.854 1.920 1.920 149 2HG GLU 23 2HG GLU 23 9.328 1.716 1.716 150 H MET 24 H MET 24 8.593 -0.075 -0.075 151 HA MET 24 HA MET 24 7.710 -1.913 -1.913 152 1HB MET 24 1HB MET 24 10.666 -1.520 -1.520 153 2HB MET 24 2HB MET 24 9.740 -3.008 -3.008 154 1HG MET 24 1HG MET 24 8.584 -1.847 -1.847 155 2HG MET 24 2HG MET 24 10.102 -0.973 -0.973 156 1HE MET 24 1HE MET 24 8.258 -3.617 -3.617 157 2HE MET 24 2HE MET 24 9.281 -5.060 -5.060 158 3HE MET 24 3HE MET 24 8.541 -4.700 -4.700 159 H ASN 25 H ASN 25 8.302 -2.299 -2.299 160 HA ASN 25 HA ASN 25 8.570 -0.051 -0.051 161 1HB ASN 25 1HB ASN 25 8.784 -1.584 -1.584 162 2HB ASN 25 2HB ASN 25 7.731 -2.365 -2.365 163 1HD2 ASN 25 1HD2 ASN 25 9.793 -3.198 -3.198 164 2HD2 ASN 25 2HD2 ASN 25 10.739 -4.430 -4.430 165 H GLU 26 H GLU 26 10.656 -1.120 -1.120 166 HA GLU 26 HA GLU 26 12.868 0.187 0.187 167 1HB GLU 26 1HB GLU 26 12.027 -0.275 -0.275 168 2HB GLU 26 2HB GLU 26 13.272 -1.502 -1.502 169 1HG GLU 26 1HG GLU 26 14.410 0.820 0.820 170 2HG GLU 26 2HG GLU 26 13.558 1.404 1.404 171 H GLU 27 H GLU 27 12.240 -3.246 -3.246 172 HA GLU 27 HA GLU 27 14.689 -4.118 -4.118 173 1HB GLU 27 1HB GLU 27 12.224 -5.722 -5.722 174 2HB GLU 27 2HB GLU 27 13.816 -6.392 -6.392 175 1HG GLU 27 1HG GLU 27 13.948 -4.159 -4.159 176 2HG GLU 27 2HG GLU 27 12.835 -5.395 -5.395 177 H GLY 28 H GLY 28 11.890 -3.015 -3.015 178 1HA GLY 28 1HA GLY 28 11.103 -3.122 -3.122 179 2HA GLY 28 2HA GLY 28 12.634 -3.832 -3.832 180 H ASP 29 H ASP 29 10.395 -5.234 -5.234 181 HA ASP 29 HA ASP 29 9.882 -7.363 -7.363 182 1HB ASP 29 1HB ASP 29 11.216 -7.517 -7.517 183 2HB ASP 29 2HB ASP 29 9.618 -8.166 -8.166 184 H LYS 30 H LYS 30 8.615 -4.766 -4.766 185 HA LYS 30 HA LYS 30 5.956 -5.982 -5.982 186 1HB LYS 30 1HB LYS 30 7.416 -5.337 -5.337 187 2HB LYS 30 2HB LYS 30 6.255 -4.038 -4.038 188 1HG LYS 30 1HG LYS 30 4.782 -5.471 -5.471 189 2HG LYS 30 2HG LYS 30 4.672 -6.222 -6.222 190 1HD LYS 30 1HD LYS 30 5.939 -8.056 -8.056 191 2HD LYS 30 2HD LYS 30 6.978 -7.121 -7.121 192 1HE LYS 30 1HE LYS 30 5.528 -7.293 -7.293 193 2HE LYS 30 2HE LYS 30 4.087 -7.470 -7.470 194 1HZ LYS 30 1HZ LYS 30 6.028 -9.601 -9.601 195 2HZ LYS 30 2HZ LYS 30 5.361 -9.495 -9.495 196 H ALA 31 H ALA 31 4.749 -4.910 -4.910 197 HA ALA 31 HA ALA 31 5.588 -2.381 -2.381 198 1HB ALA 31 1HB ALA 31 3.187 -4.184 -4.184 199 2HB ALA 31 2HB ALA 31 3.331 -2.598 -2.598 200 3HB ALA 31 3HB ALA 31 4.544 -3.863 -3.863 201 H VAL 32 H VAL 32 5.540 -0.706 -0.706 202 HA VAL 32 HA VAL 32 3.125 -0.423 -0.423 203 HB VAL 32 HB VAL 32 5.808 0.970 0.970 204 1HG1 VAL 32 1HG1 VAL 32 3.354 1.199 1.199 205 2HG1 VAL 32 2HG1 VAL 32 4.976 1.731 1.731 206 3HG1 VAL 32 3HG1 VAL 32 4.187 2.489 2.489 207 1HG2 VAL 32 1HG2 VAL 32 4.618 -1.202 -1.202 208 2HG2 VAL 32 2HG2 VAL 32 5.984 -1.376 -1.376 209 3HG2 VAL 32 3HG2 VAL 32 6.146 -0.343 -0.343 210 H VAL 33 H VAL 33 2.378 1.967 1.967 211 HA VAL 33 HA VAL 33 2.020 2.991 2.991 212 HB VAL 33 HB VAL 33 0.625 3.366 3.366 213 1HG1 VAL 33 3HG1 VAL 33 0.868 5.585 5.585 214 2HG1 VAL 33 1HG1 VAL 33 0.011 4.915 4.915 215 3HG1 VAL 33 2HG1 VAL 33 -0.820 5.040 5.040 216 1HG2 VAL 33 1HG2 VAL 33 0.262 1.502 1.502 217 2HG2 VAL 33 2HG2 VAL 33 -1.029 2.084 2.084 218 3HG2 VAL 33 3HG2 VAL 33 -0.858 2.770 2.770 219 H ILE 34 H ILE 34 2.552 5.126 5.126 220 HA ILE 34 HA ILE 34 4.368 6.457 6.457 221 HB ILE 34 HB ILE 34 4.834 7.313 7.313 222 1HG1 ILE 34 1HG1 ILE 34 4.975 4.296 4.296 223 2HG1 ILE 34 2HG1 ILE 34 3.734 5.176 5.176 224 1HG2 ILE 34 1HG2 ILE 34 6.298 7.001 7.001 225 2HG2 ILE 34 2HG2 ILE 34 6.696 5.453 5.453 226 3HG2 ILE 34 3HG2 ILE 34 7.020 6.985 6.985 227 1HD1 ILE 34 3HD1 ILE 34 6.749 5.351 5.351 228 2HD1 ILE 34 1HD1 ILE 34 5.628 4.358 4.358 229 3HD1 ILE 34 2HD1 ILE 34 5.492 6.133 6.133 230 H ASN 35 H ASN 35 1.625 6.707 6.707 231 HA ASN 35 HA ASN 35 1.417 9.514 9.514 232 1HB ASN 35 1HB ASN 35 1.430 8.562 8.562 233 2HB ASN 35 2HB ASN 35 -0.264 8.260 8.260 234 1HD2 ASN 35 1HD2 ASN 35 0.845 10.077 10.077 235 2HD2 ASN 35 2HD2 ASN 35 0.324 11.680 11.680 236 HA PRO 36 HA PRO 36 -1.958 7.601 7.601 237 1HB PRO 36 1HB PRO 36 -2.050 9.423 9.423 238 2HB PRO 36 2HB PRO 36 -1.049 7.985 7.985 239 1HG PRO 36 1HG PRO 36 -0.242 10.792 10.792 240 2HG PRO 36 2HG PRO 36 0.753 9.427 9.427 241 1HD PRO 36 1HD PRO 36 0.583 10.616 10.616 242 2HD PRO 36 2HD PRO 36 1.487 9.180 9.180 243 H ASP 37 H ASP 37 -2.048 9.521 9.521 244 HA ASP 37 HA ASP 37 -4.774 10.001 10.001 245 1HB ASP 37 1HB ASP 37 -4.155 11.833 11.833 246 2HB ASP 37 2HB ASP 37 -2.940 12.408 12.408 247 H SER 38 H SER 38 -2.823 8.821 8.821 248 HA SER 38 HA SER 38 -1.653 9.959 9.959 249 1HB SER 38 1HB SER 38 -2.043 7.725 7.725 250 2HB SER 38 2HB SER 38 -3.748 7.822 7.822 251 HG SER 38 HG SER 38 -3.782 7.644 7.644 252 H ASP 39 H ASP 39 -5.202 9.538 9.538 253 HA ASP 39 HA ASP 39 -6.714 11.053 11.053 254 1HB ASP 39 1HB ASP 39 -4.936 12.809 12.809 255 2HB ASP 39 2HB ASP 39 -4.682 13.175 13.175 256 H LEU 40 H LEU 40 -4.585 9.387 9.387 257 HA LEU 40 HA LEU 40 -5.268 10.563 10.563 258 1HB LEU 40 1HB LEU 40 -2.936 9.028 9.028 259 2HB LEU 40 2HB LEU 40 -3.136 10.759 10.759 260 HG LEU 40 HG LEU 40 -2.890 10.240 10.240 261 1HD1 LEU 40 3HD1 LEU 40 -0.806 8.816 8.816 262 2HD1 LEU 40 1HD1 LEU 40 -0.622 9.219 9.219 263 3HD1 LEU 40 2HD1 LEU 40 -1.904 8.099 8.099 264 1HD2 LEU 40 3HD2 LEU 40 -2.196 12.220 12.220 265 2HD2 LEU 40 1HD2 LEU 40 -1.275 11.877 11.877 266 3HD2 LEU 40 2HD2 LEU 40 -0.652 11.341 11.341 267 H ASP 41 H ASP 41 -5.627 9.004 9.004 268 HA ASP 41 HA ASP 41 -7.210 6.923 6.923 269 1HB ASP 41 1HB ASP 41 -6.962 8.095 8.095 270 2HB ASP 41 2HB ASP 41 -5.656 6.967 6.967 271 H CYS 42 H CYS 42 -3.756 7.236 7.236 272 HA CYS 42 HA CYS 42 -2.730 4.890 4.890 273 1HB CYS 42 1HB CYS 42 -2.031 6.915 6.915 274 2HB CYS 42 2HB CYS 42 -1.385 5.330 5.330 275 H VAL 43 H VAL 43 -4.609 5.614 5.614 276 HA VAL 43 HA VAL 43 -4.177 3.166 3.166 277 HB VAL 43 HB VAL 43 -6.312 5.285 5.285 278 1HG1 VAL 43 1HG1 VAL 43 -6.132 2.723 2.723 279 2HG1 VAL 43 2HG1 VAL 43 -7.087 4.142 4.142 280 3HG1 VAL 43 3HG1 VAL 43 -7.483 3.281 3.281 281 1HG2 VAL 43 2HG2 VAL 43 -3.782 5.351 5.351 282 2HG2 VAL 43 3HG2 VAL 43 -5.136 6.157 6.157 283 3HG2 VAL 43 1HG2 VAL 43 -4.569 4.567 4.567 284 H GLU 44 H GLU 44 -6.793 4.311 4.311 285 HA GLU 44 HA GLU 44 -8.280 2.003 2.003 286 1HB GLU 44 1HB GLU 44 -8.188 4.438 4.438 287 2HB GLU 44 2HB GLU 44 -8.451 3.091 3.091 288 1HG GLU 44 1HG GLU 44 -10.162 2.433 2.433 289 2HG GLU 44 2HG GLU 44 -10.229 4.183 4.183 290 H GLU 45 H GLU 45 -5.552 2.948 2.948 291 HA GLU 45 HA GLU 45 -5.713 0.482 0.482 292 1HB GLU 45 1HB GLU 45 -3.693 1.298 1.298 293 2HB GLU 45 2HB GLU 45 -4.938 2.531 2.531 294 1HG GLU 45 1HG GLU 45 -3.727 3.339 3.339 295 2HG GLU 45 2HG GLU 45 -2.380 2.369 2.369 296 H ALA 46 H ALA 46 -4.411 1.511 1.511 297 HA ALA 46 HA ALA 46 -2.251 -0.424 -0.424 298 1HB ALA 46 1HB ALA 46 -3.280 1.618 1.618 299 2HB ALA 46 2HB ALA 46 -1.955 0.484 0.484 300 3HB ALA 46 3HB ALA 46 -1.777 1.678 1.678 301 H ILE 47 H ILE 47 -5.638 -0.276 -0.276 302 HA ILE 47 HA ILE 47 -5.468 -2.516 -2.516 303 HB ILE 47 HB ILE 47 -7.533 -0.463 -0.463 304 1HG1 ILE 47 1HG1 ILE 47 -7.049 -1.488 -1.488 305 2HG1 ILE 47 2HG1 ILE 47 -5.721 -0.589 -0.589 306 1HG2 ILE 47 2HG2 ILE 47 -8.065 -3.274 -3.274 307 2HG2 ILE 47 3HG2 ILE 47 -9.054 -1.945 -1.945 308 3HG2 ILE 47 1HG2 ILE 47 -8.988 -2.228 -2.228 309 1HD1 ILE 47 2HD1 ILE 47 -8.604 0.397 0.397 310 2HD1 ILE 47 3HD1 ILE 47 -7.367 0.800 0.800 311 3HD1 ILE 47 1HD1 ILE 47 -7.165 1.332 1.332 312 H ASP 48 H ASP 48 -6.831 -1.509 -1.509 313 HA ASP 48 HA ASP 48 -8.096 -3.911 -3.911 314 1HB ASP 48 1HB ASP 48 -7.691 -1.445 -1.445 315 2HB ASP 48 2HB ASP 48 -6.946 -2.609 -2.609 316 H SER 49 H SER 49 -4.748 -3.035 -3.035 317 HA SER 49 HA SER 49 -3.969 -5.181 -5.181 318 1HB SER 49 1HB SER 49 -2.669 -2.708 -2.708 319 2HB SER 49 2HB SER 49 -1.607 -4.088 -4.088 320 HG SER 49 HG SER 49 -2.026 -4.159 -4.159 321 H CYS 50 H CYS 50 -4.522 -4.451 -4.451 322 HA CYS 50 HA CYS 50 -2.575 -6.351 -6.351 323 1HB CYS 50 1HB CYS 50 -2.890 -4.350 -4.350 324 2HB CYS 50 2HB CYS 50 -4.619 -4.620 -4.620 325 HA PRO 51 HA PRO 51 -5.712 -9.427 -9.427 326 1HB PRO 51 1HB PRO 51 -4.101 -11.603 -11.603 327 2HB PRO 51 2HB PRO 51 -4.326 -10.830 -10.830 328 1HG PRO 51 1HG PRO 51 -2.000 -10.692 -10.692 329 2HG PRO 51 2HG PRO 51 -2.085 -10.294 -10.294 330 1HD PRO 51 1HD PRO 51 -2.025 -8.446 -8.446 331 2HD PRO 51 2HD PRO 51 -2.227 -8.054 -8.054 332 H ALA 52 H ALA 52 -3.479 -9.216 -9.216 333 HA ALA 52 HA ALA 52 -5.175 -10.849 -10.849 334 1HB ALA 52 3HB ALA 52 -2.515 -9.503 -9.503 335 2HB ALA 52 1HB ALA 52 -3.389 -9.759 -9.759 336 3HB ALA 52 2HB ALA 52 -2.999 -11.146 -11.146 337 H GLU 53 H GLU 53 -5.297 -7.688 -7.688 338 HA GLU 53 HA GLU 53 -6.065 -5.765 -5.765 339 1HB GLU 53 1HB GLU 53 -8.152 -7.873 -7.873 340 2HB GLU 53 2HB GLU 53 -8.539 -6.400 -6.400 341 1HG GLU 53 1HG GLU 53 -8.044 -5.069 -5.069 342 2HG GLU 53 2HG GLU 53 -7.704 -6.558 -6.558 343 H ALA 54 H ALA 54 -4.206 -6.596 -6.596 344 HA ALA 54 HA ALA 54 -5.396 -6.696 -6.696 345 1HB ALA 54 3HB ALA 54 -2.796 -7.105 -7.105 346 2HB ALA 54 1HB ALA 54 -2.652 -6.104 -6.104 347 3HB ALA 54 2HB ALA 54 -3.411 -7.711 -7.711 348 H ILE 55 H ILE 55 -4.721 -4.249 -4.249 349 HA ILE 55 HA ILE 55 -4.224 -2.214 -2.214 350 HB ILE 55 HB ILE 55 -3.169 -2.477 -2.477 351 1HG1 ILE 55 1HG1 ILE 55 -3.870 0.348 0.348 352 2HG1 ILE 55 2HG1 ILE 55 -3.314 -0.457 -0.457 353 1HG2 ILE 55 1HG2 ILE 55 -5.522 -2.455 -2.455 354 2HG2 ILE 55 2HG2 ILE 55 -5.478 -0.696 -0.696 355 3HG2 ILE 55 3HG2 ILE 55 -4.256 -1.466 -1.466 356 1HD1 ILE 55 1HD1 ILE 55 -1.449 -1.394 -1.394 357 2HD1 ILE 55 2HD1 ILE 55 -1.880 0.084 0.084 358 3HD1 ILE 55 3HD1 ILE 55 -1.284 0.197 0.197 359 H VAL 56 H VAL 56 -5.939 -1.543 -1.543 360 HA VAL 56 HA VAL 56 -8.504 -1.336 -1.336 361 HB VAL 56 HB VAL 56 -9.372 -1.278 -1.278 362 1HG1 VAL 56 1HG1 VAL 56 -9.501 -3.190 -3.190 363 2HG1 VAL 56 2HG1 VAL 56 -8.099 -3.894 -3.894 364 3HG1 VAL 56 3HG1 VAL 56 -9.628 -3.635 -3.635 365 1HG2 VAL 56 2HG2 VAL 56 -6.761 -1.107 -1.107 366 2HG2 VAL 56 3HG2 VAL 56 -8.031 -1.763 -1.763 367 3HG2 VAL 56 1HG2 VAL 56 -7.002 -2.867 -2.867 368 H ARG 57 H ARG 57 -9.840 0.569 0.569 369 HA ARG 57 HA ARG 57 -8.115 2.841 2.841 370 1HB ARG 57 1HB ARG 57 -10.750 2.538 2.538 371 2HB ARG 57 2HB ARG 57 -10.114 4.115 4.115 372 1HG ARG 57 1HG ARG 57 -7.894 3.292 3.292 373 2HG ARG 57 2HG ARG 57 -8.888 2.030 2.030 374 1HD ARG 57 1HD ARG 57 -10.293 4.527 4.527 375 2HD ARG 57 2HD ARG 57 -8.635 4.782 4.782 376 HE ARG 57 HE ARG 57 -9.268 2.373 2.373 377 1HH1 ARG 57 2HH2 ARG 57 -10.832 5.551 5.551 378 2HH1 ARG 57 1HH2 ARG 57 -11.525 5.351 5.351 379 1HH2 ARG 57 2HH1 ARG 57 -10.174 2.126 2.126 380 2HH2 ARG 57 1HH1 ARG 57 -11.130 3.319 3.319 381 H SER 58 H SER 58 -8.722 1.650 1.650 382 HA SER 58 HA SER 58 -11.059 1.879 1.879 383 1HB SER 58 1HB SER 58 -8.948 1.087 1.087 384 2HB SER 58 2HB SER 58 -8.382 2.740 2.740 385 HG SER 58 HG SER 58 -10.906 1.979 1.979 Start of MODEL 12 1 HA PRO 1 HA PRO 1 -5.702 7.664 7.664 2 1HB PRO 1 1HB PRO 1 -3.592 6.513 6.513 3 2HB PRO 1 2HB PRO 1 -3.853 8.244 8.244 4 1HG PRO 1 1HG PRO 1 -4.306 6.377 6.377 5 2HG PRO 1 2HG PRO 1 -4.150 8.122 8.122 6 1HD PRO 1 1HD PRO 1 -6.579 6.611 6.611 7 2HD PRO 1 2HD PRO 1 -6.433 8.356 8.356 8 H ILE 2 H ILE 2 -3.828 5.589 5.589 9 HA ILE 2 HA ILE 2 -5.750 3.416 3.416 10 HB ILE 2 HB ILE 2 -4.394 2.740 2.740 11 1HG1 ILE 2 1HG1 ILE 2 -2.231 3.597 3.597 12 2HG1 ILE 2 2HG1 ILE 2 -2.317 3.566 3.566 13 1HG2 ILE 2 3HG2 ILE 2 -5.265 5.608 5.608 14 2HG2 ILE 2 1HG2 ILE 2 -4.463 4.984 4.984 15 3HG2 ILE 2 2HG2 ILE 2 -5.971 4.235 4.235 16 1HD1 ILE 2 1HD1 ILE 2 -3.291 6.047 6.047 17 2HD1 ILE 2 2HD1 ILE 2 -2.313 5.871 5.871 18 3HD1 ILE 2 3HD1 ILE 2 -1.544 5.723 5.723 19 H GLU 3 H GLU 3 -5.363 1.395 1.395 20 HA GLU 3 HA GLU 3 -2.898 1.201 1.201 21 1HB GLU 3 1HB GLU 3 -5.297 1.280 1.280 22 2HB GLU 3 2HB GLU 3 -5.366 -0.406 -0.406 23 1HG GLU 3 1HG GLU 3 -3.896 -1.028 -1.028 24 2HG GLU 3 2HG GLU 3 -2.768 0.245 0.245 25 H VAL 4 H VAL 4 -2.170 -1.159 -1.159 26 HA VAL 4 HA VAL 4 -2.796 -2.725 -2.725 27 HB VAL 4 HB VAL 4 -0.588 -1.641 -1.641 28 1HG1 VAL 4 1HG1 VAL 4 -0.450 -2.261 -2.261 29 2HG1 VAL 4 2HG1 VAL 4 0.753 -3.325 -3.325 30 3HG1 VAL 4 3HG1 VAL 4 0.841 -1.564 -1.564 31 1HG2 VAL 4 2HG2 VAL 4 -1.233 -4.239 -4.239 32 2HG2 VAL 4 3HG2 VAL 4 0.274 -3.418 -3.418 33 3HG2 VAL 4 1HG2 VAL 4 0.237 -4.446 -4.446 34 H ASN 5 H ASN 5 -2.817 -5.039 -5.039 35 HA ASN 5 HA ASN 5 -3.686 -5.742 -5.742 36 1HB ASN 5 1HB ASN 5 -3.395 -7.347 -7.347 37 2HB ASN 5 2HB ASN 5 -4.056 -8.023 -8.023 38 1HD2 ASN 5 1HD2 ASN 5 -6.015 -8.409 -8.409 39 2HD2 ASN 5 2HD2 ASN 5 -7.173 -7.159 -7.159 40 H ASP 6 H ASP 6 -2.850 -8.419 -8.419 41 HA ASP 6 HA ASP 6 0.026 -8.060 -8.060 42 1HB ASP 6 1HB ASP 6 -1.290 -8.438 -8.438 43 2HB ASP 6 2HB ASP 6 -1.867 -9.962 -9.962 44 H ASP 7 H ASP 7 -2.636 -9.993 -9.993 45 HA ASP 7 HA ASP 7 -1.297 -12.359 -12.359 46 1HB ASP 7 1HB ASP 7 -3.823 -11.223 -11.223 47 2HB ASP 7 2HB ASP 7 -3.155 -11.644 -11.644 48 H CYS 8 H CYS 8 -1.075 -9.181 -9.181 49 HA CYS 8 HA CYS 8 -0.367 -9.767 -9.767 50 1HB CYS 8 1HB CYS 8 -0.656 -7.515 -7.515 51 2HB CYS 8 2HB CYS 8 0.157 -7.501 -7.501 52 H MET 9 H MET 9 1.760 -10.021 -10.021 53 HA MET 9 HA MET 9 3.663 -11.225 -11.225 54 1HB MET 9 1HB MET 9 2.618 -12.614 -12.614 55 2HB MET 9 2HB MET 9 3.440 -11.564 -11.564 56 1HG MET 9 1HG MET 9 5.213 -12.986 -12.986 57 2HG MET 9 2HG MET 9 5.502 -12.293 -12.293 58 1HE MET 9 3HE MET 9 4.214 -14.856 -14.856 59 2HE MET 9 1HE MET 9 5.395 -15.915 -15.915 60 3HE MET 9 2HE MET 9 3.652 -16.224 -16.224 61 H ALA 10 H ALA 10 3.831 -9.720 -9.720 62 HA ALA 10 HA ALA 10 5.087 -7.419 -7.419 63 1HB ALA 10 1HB ALA 10 6.953 -9.740 -9.740 64 2HB ALA 10 2HB ALA 10 7.579 -8.275 -8.275 65 3HB ALA 10 3HB ALA 10 6.892 -8.174 -8.174 66 H CYS 11 H CYS 11 3.427 -7.999 -7.999 67 HA CYS 11 HA CYS 11 4.600 -9.091 -9.091 68 1HB CYS 11 1HB CYS 11 2.070 -7.655 -7.655 69 2HB CYS 11 2HB CYS 11 2.560 -7.717 -7.717 70 H GLU 12 H GLU 12 4.496 -5.912 -5.912 71 HA GLU 12 HA GLU 12 5.398 -3.993 -3.993 72 1HB GLU 12 1HB GLU 12 7.601 -4.087 -4.087 73 2HB GLU 12 2HB GLU 12 7.349 -5.821 -5.821 74 1HG GLU 12 1HG GLU 12 6.543 -5.328 -5.328 75 2HG GLU 12 2HG GLU 12 7.495 -3.870 -3.870 76 H ALA 13 H ALA 13 3.263 -5.347 -5.347 77 HA ALA 13 HA ALA 13 3.645 -4.130 -4.130 78 1HB ALA 13 1HB ALA 13 1.392 -5.511 -5.511 79 2HB ALA 13 2HB ALA 13 1.078 -4.676 -4.676 80 3HB ALA 13 3HB ALA 13 2.254 -6.011 -6.011 81 H CYS 14 H CYS 14 1.689 -3.327 -3.327 82 HA CYS 14 HA CYS 14 0.536 -1.036 -1.036 83 1HB CYS 14 1HB CYS 14 0.002 -0.445 -0.445 84 2HB CYS 14 2HB CYS 14 -0.318 -2.141 -2.141 85 H VAL 15 H VAL 15 3.699 -1.746 -1.746 86 HA VAL 15 HA VAL 15 4.407 0.998 0.998 87 HB VAL 15 HB VAL 15 6.021 -1.560 -1.560 88 1HG1 VAL 15 1HG1 VAL 15 7.018 1.006 1.006 89 2HG1 VAL 15 2HG1 VAL 15 7.085 0.735 0.735 90 3HG1 VAL 15 3HG1 VAL 15 7.902 -0.395 -0.395 91 1HG2 VAL 15 1HG2 VAL 15 4.778 0.094 0.094 92 2HG2 VAL 15 2HG2 VAL 15 4.371 -1.576 -1.576 93 3HG2 VAL 15 3HG2 VAL 15 5.956 -1.217 -1.217 94 H GLU 16 H GLU 16 4.616 -1.455 -1.455 95 HA GLU 16 HA GLU 16 6.497 0.094 0.094 96 1HB GLU 16 1HB GLU 16 5.283 -2.579 -2.579 97 2HB GLU 16 2HB GLU 16 5.363 -1.814 -1.814 98 1HG GLU 16 1HG GLU 16 7.835 -1.223 -1.223 99 2HG GLU 16 2HG GLU 16 7.655 -2.397 -2.397 100 H ILE 17 H ILE 17 3.091 0.110 0.110 101 HA ILE 17 HA ILE 17 2.545 1.304 1.304 102 HB ILE 17 HB ILE 17 1.149 -0.499 -0.499 103 1HG1 ILE 17 1HG1 ILE 17 0.725 0.204 0.204 104 2HG1 ILE 17 2HG1 ILE 17 -0.789 0.114 0.114 105 1HG2 ILE 17 2HG2 ILE 17 0.114 2.181 2.181 106 2HG2 ILE 17 3HG2 ILE 17 -0.834 0.676 0.676 107 3HG2 ILE 17 1HG2 ILE 17 0.677 0.807 0.807 108 1HD1 ILE 17 3HD1 ILE 17 -0.224 2.701 2.701 109 2HD1 ILE 17 1HD1 ILE 17 0.709 2.492 2.492 110 3HD1 ILE 17 2HD1 ILE 17 -1.041 2.166 2.166 111 H CYS 18 H CYS 18 2.553 2.028 2.028 112 HA CYS 18 HA CYS 18 2.843 4.819 4.819 113 1HB CYS 18 1HB CYS 18 0.330 4.046 4.046 114 2HB CYS 18 2HB CYS 18 0.848 4.256 4.256 115 HA PRO 19 HA PRO 19 5.497 3.412 3.412 116 1HB PRO 19 1HB PRO 19 7.800 4.594 4.594 117 2HB PRO 19 2HB PRO 19 7.354 2.947 2.947 118 1HG PRO 19 1HG PRO 19 7.255 5.363 5.363 119 2HG PRO 19 2HG PRO 19 7.228 3.678 3.678 120 1HD PRO 19 1HD PRO 19 4.991 5.471 5.471 121 2HD PRO 19 2HD PRO 19 4.947 3.759 3.759 122 H ASP 20 H ASP 20 4.041 6.154 6.154 123 HA ASP 20 HA ASP 20 5.494 7.732 7.732 124 1HB ASP 20 1HB ASP 20 4.642 8.518 8.518 125 2HB ASP 20 2HB ASP 20 3.081 8.660 8.660 126 H VAL 21 H VAL 21 2.775 5.642 5.642 127 HA VAL 21 HA VAL 21 1.399 6.918 6.918 128 HB VAL 21 HB VAL 21 0.368 4.946 4.946 129 1HG1 VAL 21 3HG1 VAL 21 -0.867 6.279 6.279 130 2HG1 VAL 21 1HG1 VAL 21 -1.873 5.845 5.845 131 3HG1 VAL 21 2HG1 VAL 21 -0.967 4.583 4.583 132 1HG2 VAL 21 1HG2 VAL 21 0.942 7.325 7.325 133 2HG2 VAL 21 2HG2 VAL 21 -0.702 6.723 6.723 134 3HG2 VAL 21 3HG2 VAL 21 -0.417 7.857 7.857 135 H PHE 22 H PHE 22 3.016 4.011 4.011 136 HA PHE 22 HA PHE 22 2.872 2.917 2.917 137 1HB PHE 22 1HB PHE 22 2.619 1.390 1.390 138 2HB PHE 22 2HB PHE 22 2.500 0.675 0.675 139 HD1 PHE 22 2HD PHE 22 0.559 1.449 1.449 140 HD2 PHE 22 1HD PHE 22 0.706 2.182 2.182 141 HE1 PHE 22 2HE PHE 22 -1.924 1.813 1.813 142 HE2 PHE 22 1HE PHE 22 -1.777 2.546 2.546 143 HZ PHE 22 HZ PHE 22 -3.063 2.357 2.357 144 H GLU 23 H GLU 23 4.871 2.450 2.450 145 HA GLU 23 HA GLU 23 6.935 1.916 1.916 146 1HB GLU 23 1HB GLU 23 7.868 3.881 3.881 147 2HB GLU 23 2HB GLU 23 6.817 4.018 4.018 148 1HG GLU 23 1HG GLU 23 8.261 2.330 2.330 149 2HG GLU 23 2HG GLU 23 9.340 2.303 2.303 150 H MET 24 H MET 24 8.858 0.685 0.685 151 HA MET 24 HA MET 24 7.801 -1.485 -1.485 152 1HB MET 24 1HB MET 24 10.768 -1.157 -1.157 153 2HB MET 24 2HB MET 24 9.773 -2.582 -2.582 154 1HG MET 24 1HG MET 24 9.903 -2.104 -2.104 155 2HG MET 24 2HG MET 24 8.706 -0.867 -0.867 156 1HE MET 24 3HE MET 24 8.929 1.132 1.132 157 2HE MET 24 1HE MET 24 10.407 1.952 1.952 158 3HE MET 24 2HE MET 24 9.893 0.429 0.429 159 H ASN 25 H ASN 25 8.384 -2.189 -2.189 160 HA ASN 25 HA ASN 25 8.836 -0.141 -0.141 161 1HB ASN 25 1HB ASN 25 8.822 -1.890 -1.890 162 2HB ASN 25 2HB ASN 25 7.698 -2.392 -2.392 163 1HD2 ASN 25 1HD2 ASN 25 9.673 -3.673 -3.673 164 2HD2 ASN 25 2HD2 ASN 25 10.442 -4.938 -4.938 165 H GLU 26 H GLU 26 10.733 -1.569 -1.569 166 HA GLU 26 HA GLU 26 13.105 -0.454 -0.454 167 1HB GLU 26 1HB GLU 26 12.149 -1.232 -1.232 168 2HB GLU 26 2HB GLU 26 13.317 -2.500 -2.500 169 1HG GLU 26 1HG GLU 26 15.112 -0.880 -0.880 170 2HG GLU 26 2HG GLU 26 13.984 0.461 0.461 171 H GLU 27 H GLU 27 12.078 -3.904 -3.904 172 HA GLU 27 HA GLU 27 14.425 -4.845 -4.845 173 1HB GLU 27 1HB GLU 27 11.881 -6.327 -6.327 174 2HB GLU 27 2HB GLU 27 13.383 -7.087 -7.087 175 1HG GLU 27 1HG GLU 27 14.136 -5.255 -5.255 176 2HG GLU 27 2HG GLU 27 12.634 -5.953 -5.953 177 H GLY 28 H GLY 28 11.804 -3.261 -3.261 178 1HA GLY 28 1HA GLY 28 10.861 -3.092 -3.092 179 2HA GLY 28 2HA GLY 28 12.285 -3.895 -3.895 180 H ASP 29 H ASP 29 10.161 -5.424 -5.424 181 HA ASP 29 HA ASP 29 9.321 -7.256 -7.256 182 1HB ASP 29 1HB ASP 29 10.742 -7.805 -7.805 183 2HB ASP 29 2HB ASP 29 9.097 -8.197 -8.197 184 H LYS 30 H LYS 30 8.401 -4.804 -4.804 185 HA LYS 30 HA LYS 30 5.631 -5.784 -5.784 186 1HB LYS 30 1HB LYS 30 6.513 -5.877 -5.877 187 2HB LYS 30 2HB LYS 30 7.124 -4.239 -4.239 188 1HG LYS 30 1HG LYS 30 4.813 -3.363 -3.363 189 2HG LYS 30 2HG LYS 30 4.172 -4.994 -4.994 190 1HD LYS 30 1HD LYS 30 3.882 -4.350 -4.350 191 2HD LYS 30 2HD LYS 30 5.406 -5.209 -5.209 192 1HE LYS 30 1HE LYS 30 6.211 -2.613 -2.613 193 2HE LYS 30 2HE LYS 30 4.849 -2.348 -2.348 194 1HZ LYS 30 1HZ LYS 30 6.890 -2.577 -2.577 195 2HZ LYS 30 2HZ LYS 30 6.011 -3.916 -3.916 196 H ALA 31 H ALA 31 4.476 -4.671 -4.671 197 HA ALA 31 HA ALA 31 5.382 -2.204 -2.204 198 1HB ALA 31 1HB ALA 31 4.043 -3.894 -3.894 199 2HB ALA 31 2HB ALA 31 2.654 -3.545 -3.545 200 3HB ALA 31 3HB ALA 31 3.291 -2.282 -2.282 201 H VAL 32 H VAL 32 5.571 -0.525 -0.525 202 HA VAL 32 HA VAL 32 3.379 -0.077 -0.077 203 HB VAL 32 HB VAL 32 6.038 1.316 1.316 204 1HG1 VAL 32 3HG1 VAL 32 3.878 1.588 1.588 205 2HG1 VAL 32 1HG1 VAL 32 5.554 2.137 2.137 206 3HG1 VAL 32 2HG1 VAL 32 4.564 2.854 2.854 207 1HG2 VAL 32 3HG2 VAL 32 5.269 -1.172 -1.172 208 2HG2 VAL 32 1HG2 VAL 32 6.883 -0.540 -0.540 209 3HG2 VAL 32 2HG2 VAL 32 6.074 -0.021 -0.021 210 H VAL 33 H VAL 33 2.705 2.342 2.342 211 HA VAL 33 HA VAL 33 2.005 3.248 3.248 212 HB VAL 33 HB VAL 33 0.909 3.982 3.982 213 1HG1 VAL 33 2HG1 VAL 33 0.677 5.766 5.766 214 2HG1 VAL 33 3HG1 VAL 33 -0.208 4.614 4.614 215 3HG1 VAL 33 1HG1 VAL 33 -0.883 5.104 5.104 216 1HG2 VAL 33 3HG2 VAL 33 0.591 1.576 1.576 217 2HG2 VAL 33 1HG2 VAL 33 -0.751 2.414 2.414 218 3HG2 VAL 33 2HG2 VAL 33 -0.643 2.425 2.425 219 H ILE 34 H ILE 34 2.313 5.454 5.454 220 HA ILE 34 HA ILE 34 4.215 6.915 6.915 221 HB ILE 34 HB ILE 34 4.761 7.561 7.561 222 1HG1 ILE 34 1HG1 ILE 34 4.933 4.563 4.563 223 2HG1 ILE 34 2HG1 ILE 34 3.550 5.357 5.357 224 1HG2 ILE 34 2HG2 ILE 34 6.316 7.598 7.598 225 2HG2 ILE 34 3HG2 ILE 34 6.322 5.818 5.818 226 3HG2 ILE 34 1HG2 ILE 34 6.971 6.695 6.695 227 1HD1 ILE 34 2HD1 ILE 34 5.374 6.560 6.560 228 2HD1 ILE 34 3HD1 ILE 34 6.470 5.298 5.298 229 3HD1 ILE 34 1HD1 ILE 34 5.035 4.846 4.846 230 H ASN 35 H ASN 35 1.516 6.873 6.873 231 HA ASN 35 HA ASN 35 1.194 9.721 9.721 232 1HB ASN 35 1HB ASN 35 1.449 8.833 8.833 233 2HB ASN 35 2HB ASN 35 -0.145 8.135 8.135 234 1HD2 ASN 35 1HD2 ASN 35 0.338 9.975 9.975 235 2HD2 ASN 35 2HD2 ASN 35 -0.474 11.469 11.469 236 HA PRO 36 HA PRO 36 -2.232 7.697 7.697 237 1HB PRO 36 1HB PRO 36 -2.326 9.390 9.390 238 2HB PRO 36 2HB PRO 36 -1.371 7.920 7.920 239 1HG PRO 36 1HG PRO 36 -0.465 10.722 10.722 240 2HG PRO 36 2HG PRO 36 0.472 9.298 9.298 241 1HD PRO 36 1HD PRO 36 0.416 10.652 10.652 242 2HD PRO 36 2HD PRO 36 1.261 9.164 9.164 243 H ASP 37 H ASP 37 -2.502 9.312 9.312 244 HA ASP 37 HA ASP 37 -5.113 10.075 10.075 245 1HB ASP 37 1HB ASP 37 -4.188 11.930 11.930 246 2HB ASP 37 2HB ASP 37 -3.137 12.404 12.404 247 H SER 38 H SER 38 -3.391 8.657 8.657 248 HA SER 38 HA SER 38 -2.541 10.166 10.166 249 1HB SER 38 1HB SER 38 -1.933 7.796 7.796 250 2HB SER 38 2HB SER 38 -3.587 7.300 7.300 251 HG SER 38 HG SER 38 -3.159 7.285 7.285 252 H ASP 39 H ASP 39 -5.301 7.862 7.862 253 HA ASP 39 HA ASP 39 -7.105 7.979 7.979 254 1HB ASP 39 1HB ASP 39 -7.386 9.762 9.762 255 2HB ASP 39 2HB ASP 39 -7.605 10.857 10.857 256 H LEU 40 H LEU 40 -4.748 8.628 8.628 257 HA LEU 40 HA LEU 40 -5.700 10.783 10.783 258 1HB LEU 40 1HB LEU 40 -3.454 11.255 11.255 259 2HB LEU 40 2HB LEU 40 -3.580 11.239 11.239 260 HG LEU 40 HG LEU 40 -2.822 8.635 8.635 261 1HD1 LEU 40 2HD1 LEU 40 -2.277 10.067 10.067 262 2HD1 LEU 40 3HD1 LEU 40 -0.714 9.995 9.995 263 3HD1 LEU 40 1HD1 LEU 40 -1.592 8.493 8.493 264 1HD2 LEU 40 3HD2 LEU 40 -2.060 10.332 10.332 265 2HD2 LEU 40 1HD2 LEU 40 -0.888 9.126 9.126 266 3HD2 LEU 40 2HD2 LEU 40 -0.815 10.798 10.798 267 H ASP 41 H ASP 41 -6.579 7.927 7.927 268 HA ASP 41 HA ASP 41 -7.282 6.657 6.657 269 1HB ASP 41 1HB ASP 41 -6.309 8.534 8.534 270 2HB ASP 41 2HB ASP 41 -4.944 7.451 7.451 271 H CYS 42 H CYS 42 -3.776 7.125 7.125 272 HA CYS 42 HA CYS 42 -2.741 4.760 4.760 273 1HB CYS 42 1HB CYS 42 -2.051 6.755 6.755 274 2HB CYS 42 2HB CYS 42 -1.366 5.165 5.165 275 H VAL 43 H VAL 43 -4.767 5.516 5.516 276 HA VAL 43 HA VAL 43 -4.344 3.046 3.046 277 HB VAL 43 HB VAL 43 -6.543 5.113 5.113 278 1HG1 VAL 43 3HG1 VAL 43 -7.272 2.909 2.909 279 2HG1 VAL 43 1HG1 VAL 43 -5.861 2.874 2.874 280 3HG1 VAL 43 2HG1 VAL 43 -7.117 4.116 4.116 281 1HG2 VAL 43 2HG2 VAL 43 -3.812 4.883 4.883 282 2HG2 VAL 43 3HG2 VAL 43 -4.812 6.323 6.323 283 3HG2 VAL 43 1HG2 VAL 43 -5.083 5.350 5.350 284 H GLU 44 H GLU 44 -6.550 4.234 4.234 285 HA GLU 44 HA GLU 44 -8.298 2.044 2.044 286 1HB GLU 44 1HB GLU 44 -8.701 4.366 4.366 287 2HB GLU 44 2HB GLU 44 -7.838 3.758 3.758 288 1HG GLU 44 1HG GLU 44 -9.468 1.800 1.800 289 2HG GLU 44 2HG GLU 44 -10.376 2.571 2.571 290 H GLU 45 H GLU 45 -5.317 2.766 2.766 291 HA GLU 45 HA GLU 45 -5.603 0.322 0.322 292 1HB GLU 45 1HB GLU 45 -3.545 1.039 1.039 293 2HB GLU 45 2HB GLU 45 -4.714 2.344 2.344 294 1HG GLU 45 1HG GLU 45 -3.450 2.995 2.995 295 2HG GLU 45 2HG GLU 45 -2.146 2.055 2.055 296 H ALA 46 H ALA 46 -4.104 1.514 1.514 297 HA ALA 46 HA ALA 46 -2.096 -0.533 -0.533 298 1HB ALA 46 1HB ALA 46 -3.151 1.528 1.528 299 2HB ALA 46 2HB ALA 46 -1.827 0.397 0.397 300 3HB ALA 46 3HB ALA 46 -1.638 1.591 1.591 301 H ILE 47 H ILE 47 -5.499 -0.200 -0.200 302 HA ILE 47 HA ILE 47 -5.422 -2.437 -2.437 303 HB ILE 47 HB ILE 47 -7.403 -0.362 -0.362 304 1HG1 ILE 47 1HG1 ILE 47 -7.080 -1.446 -1.446 305 2HG1 ILE 47 2HG1 ILE 47 -5.745 -0.495 -0.495 306 1HG2 ILE 47 1HG2 ILE 47 -8.159 -3.052 -3.052 307 2HG2 ILE 47 2HG2 ILE 47 -9.213 -1.618 -1.618 308 3HG2 ILE 47 3HG2 ILE 47 -8.685 -2.368 -2.368 309 1HD1 ILE 47 1HD1 ILE 47 -7.860 1.081 1.081 310 2HD1 ILE 47 2HD1 ILE 47 -8.513 0.311 0.311 311 3HD1 ILE 47 3HD1 ILE 47 -6.992 1.233 1.233 312 H ASP 48 H ASP 48 -6.784 -1.536 -1.536 313 HA ASP 48 HA ASP 48 -8.011 -3.933 -3.933 314 1HB ASP 48 1HB ASP 48 -7.632 -1.557 -1.557 315 2HB ASP 48 2HB ASP 48 -6.646 -2.642 -2.642 316 H SER 49 H SER 49 -4.616 -2.813 -2.813 317 HA SER 49 HA SER 49 -3.831 -5.118 -5.118 318 1HB SER 49 1HB SER 49 -1.541 -4.226 -4.226 319 2HB SER 49 2HB SER 49 -2.643 -2.973 -2.973 320 HG SER 49 HG SER 49 -1.677 -3.413 -3.413 321 H CYS 50 H CYS 50 -4.395 -4.345 -4.345 322 HA CYS 50 HA CYS 50 -2.572 -6.351 -6.351 323 1HB CYS 50 1HB CYS 50 -2.819 -4.334 -4.334 324 2HB CYS 50 2HB CYS 50 -4.557 -4.540 -4.540 325 HA PRO 51 HA PRO 51 -5.834 -9.283 -9.283 326 1HB PRO 51 1HB PRO 51 -4.338 -11.529 -11.529 327 2HB PRO 51 2HB PRO 51 -4.481 -10.763 -10.763 328 1HG PRO 51 1HG PRO 51 -2.205 -10.714 -10.714 329 2HG PRO 51 2HG PRO 51 -2.222 -10.331 -10.331 330 1HD PRO 51 1HD PRO 51 -2.138 -8.464 -8.464 331 2HD PRO 51 2HD PRO 51 -2.272 -8.081 -8.081 332 H ALA 52 H ALA 52 -3.697 -9.084 -9.084 333 HA ALA 52 HA ALA 52 -5.510 -10.638 -10.638 334 1HB ALA 52 3HB ALA 52 -2.880 -10.461 -10.461 335 2HB ALA 52 1HB ALA 52 -3.202 -9.010 -9.010 336 3HB ALA 52 2HB ALA 52 -3.806 -10.596 -10.596 337 H GLU 53 H GLU 53 -5.447 -7.496 -7.496 338 HA GLU 53 HA GLU 53 -6.150 -5.527 -5.527 339 1HB GLU 53 1HB GLU 53 -8.561 -5.521 -5.521 340 2HB GLU 53 2HB GLU 53 -8.168 -6.760 -6.760 341 1HG GLU 53 1HG GLU 53 -8.772 -8.487 -8.487 342 2HG GLU 53 2HG GLU 53 -8.146 -7.687 -7.687 343 H ALA 54 H ALA 54 -4.359 -6.368 -6.368 344 HA ALA 54 HA ALA 54 -5.604 -6.355 -6.355 345 1HB ALA 54 1HB ALA 54 -2.914 -6.762 -6.762 346 2HB ALA 54 2HB ALA 54 -2.920 -5.993 -5.993 347 3HB ALA 54 3HB ALA 54 -3.697 -7.578 -7.578 348 H ILE 55 H ILE 55 -4.811 -4.011 -4.011 349 HA ILE 55 HA ILE 55 -4.176 -1.954 -1.954 350 HB ILE 55 HB ILE 55 -4.448 -1.907 -1.907 351 1HG1 ILE 55 1HG1 ILE 55 -1.826 -1.425 -1.425 352 2HG1 ILE 55 2HG1 ILE 55 -2.461 -3.068 -3.068 353 1HG2 ILE 55 1HG2 ILE 55 -4.985 0.269 0.269 354 2HG2 ILE 55 2HG2 ILE 55 -3.345 0.261 0.261 355 3HG2 ILE 55 3HG2 ILE 55 -3.568 0.315 0.315 356 1HD1 ILE 55 2HD1 ILE 55 -2.827 -2.034 -2.034 357 2HD1 ILE 55 3HD1 ILE 55 -1.120 -2.113 -2.113 358 3HD1 ILE 55 1HD1 ILE 55 -2.129 -3.577 -3.577 359 H VAL 56 H VAL 56 -5.788 -1.055 -1.055 360 HA VAL 56 HA VAL 56 -8.356 -0.700 -0.700 361 HB VAL 56 HB VAL 56 -9.234 -0.712 -0.712 362 1HG1 VAL 56 1HG1 VAL 56 -9.274 -2.550 -2.550 363 2HG1 VAL 56 2HG1 VAL 56 -8.298 -3.447 -3.447 364 3HG1 VAL 56 3HG1 VAL 56 -9.924 -2.869 -2.869 365 1HG2 VAL 56 3HG2 VAL 56 -7.047 -0.621 -0.621 366 2HG2 VAL 56 1HG2 VAL 56 -7.947 -2.086 -2.086 367 3HG2 VAL 56 2HG2 VAL 56 -6.612 -2.193 -2.193 368 H ARG 57 H ARG 57 -9.661 1.183 1.183 369 HA ARG 57 HA ARG 57 -7.762 3.360 3.360 370 1HB ARG 57 1HB ARG 57 -10.553 3.106 3.106 371 2HB ARG 57 2HB ARG 57 -10.127 4.645 4.645 372 1HG ARG 57 1HG ARG 57 -8.227 4.916 4.916 373 2HG ARG 57 2HG ARG 57 -8.399 3.279 3.279 374 1HD ARG 57 1HD ARG 57 -9.411 4.667 4.667 375 2HD ARG 57 2HD ARG 57 -10.754 3.942 3.942 376 HE ARG 57 HE ARG 57 -9.870 6.542 6.542 377 1HH1 ARG 57 2HH2 ARG 57 -12.086 4.874 4.874 378 2HH1 ARG 57 1HH2 ARG 57 -13.215 6.186 6.186 379 1HH2 ARG 57 2HH1 ARG 57 -11.342 8.238 8.238 380 2HH2 ARG 57 1HH1 ARG 57 -12.768 8.175 8.175 381 H SER 58 H SER 58 -7.887 1.994 1.994 382 HA SER 58 HA SER 58 -9.873 2.191 2.191 383 1HB SER 58 1HB SER 58 -7.506 1.329 1.329 384 2HB SER 58 2HB SER 58 -7.017 2.983 2.983 385 HG SER 58 HG SER 58 -9.031 1.492 1.492 Start of MODEL 13 1 HA PRO 1 HA PRO 1 -5.400 7.770 7.770 2 1HB PRO 1 1HB PRO 1 -3.886 6.130 6.130 3 2HB PRO 1 2HB PRO 1 -3.895 7.874 7.874 4 1HG PRO 1 1HG PRO 1 -5.173 5.845 5.845 5 2HG PRO 1 2HG PRO 1 -4.809 7.520 7.520 6 1HD PRO 1 1HD PRO 1 -7.378 6.424 6.424 7 2HD PRO 1 2HD PRO 1 -6.992 8.116 8.116 8 H ILE 2 H ILE 2 -3.797 5.423 5.423 9 HA ILE 2 HA ILE 2 -5.808 3.572 3.572 10 HB ILE 2 HB ILE 2 -4.334 3.081 3.081 11 1HG1 ILE 2 1HG1 ILE 2 -2.212 3.592 3.592 12 2HG1 ILE 2 2HG1 ILE 2 -2.251 4.129 4.129 13 1HG2 ILE 2 2HG2 ILE 2 -5.397 5.797 5.797 14 2HG2 ILE 2 3HG2 ILE 2 -4.236 5.646 5.646 15 3HG2 ILE 2 1HG2 ILE 2 -5.709 4.647 4.647 16 1HD1 ILE 2 2HD1 ILE 2 -3.268 6.327 6.327 17 2HD1 ILE 2 3HD1 ILE 2 -2.137 5.685 5.685 18 3HD1 ILE 2 1HD1 ILE 2 -1.550 6.110 6.110 19 H GLU 3 H GLU 3 -5.682 1.519 1.519 20 HA GLU 3 HA GLU 3 -3.425 0.985 0.985 21 1HB GLU 3 1HB GLU 3 -5.908 0.736 0.736 22 2HB GLU 3 2HB GLU 3 -5.935 -0.706 -0.706 23 1HG GLU 3 1HG GLU 3 -4.760 -1.918 -1.918 24 2HG GLU 3 2HG GLU 3 -3.568 -0.651 -0.651 25 H VAL 4 H VAL 4 -2.298 -1.112 -1.112 26 HA VAL 4 HA VAL 4 -2.553 -2.378 -2.378 27 HB VAL 4 HB VAL 4 -0.629 -1.031 -1.031 28 1HG1 VAL 4 2HG1 VAL 4 -0.417 -1.547 -1.547 29 2HG1 VAL 4 3HG1 VAL 4 1.144 -1.788 -1.788 30 3HG1 VAL 4 1HG1 VAL 4 0.286 -0.236 -0.236 31 1HG2 VAL 4 3HG2 VAL 4 -0.502 -3.714 -3.714 32 2HG2 VAL 4 1HG2 VAL 4 0.839 -2.606 -2.606 33 3HG2 VAL 4 2HG2 VAL 4 0.819 -3.486 -3.486 34 H ASN 5 H ASN 5 -3.150 -2.709 -2.709 35 HA ASN 5 HA ASN 5 -3.389 -4.375 -4.375 36 1HB ASN 5 1HB ASN 5 -3.179 -6.014 -6.014 37 2HB ASN 5 2HB ASN 5 -3.582 -6.739 -6.739 38 1HD2 ASN 5 1HD2 ASN 5 -5.643 -7.236 -7.236 39 2HD2 ASN 5 2HD2 ASN 5 -6.952 -6.186 -6.186 40 H ASP 6 H ASP 6 -2.284 -6.924 -6.924 41 HA ASP 6 HA ASP 6 0.574 -6.378 -6.378 42 1HB ASP 6 1HB ASP 6 -0.303 -6.331 -6.331 43 2HB ASP 6 2HB ASP 6 -0.959 -7.942 -7.942 44 H ASP 7 H ASP 7 -2.154 -8.672 -8.672 45 HA ASP 7 HA ASP 7 -0.767 -11.016 -11.016 46 1HB ASP 7 1HB ASP 7 -3.396 -9.986 -9.986 47 2HB ASP 7 2HB ASP 7 -2.825 -11.565 -11.565 48 H CYS 8 H CYS 8 -0.875 -8.207 -8.207 49 HA CYS 8 HA CYS 8 -0.745 -9.215 -9.215 50 1HB CYS 8 1HB CYS 8 -0.725 -6.991 -6.991 51 2HB CYS 8 2HB CYS 8 -0.052 -6.719 -6.719 52 H MET 9 H MET 9 1.271 -9.433 -9.433 53 HA MET 9 HA MET 9 3.290 -10.846 -10.846 54 1HB MET 9 1HB MET 9 1.952 -11.212 -11.212 55 2HB MET 9 2HB MET 9 3.694 -11.272 -11.272 56 1HG MET 9 1HG MET 9 3.696 -13.391 -13.391 57 2HG MET 9 2HG MET 9 3.087 -12.798 -12.798 58 1HE MET 9 3HE MET 9 1.427 -13.353 -13.353 59 2HE MET 9 1HE MET 9 -0.189 -12.966 -12.966 60 3HE MET 9 2HE MET 9 0.324 -14.664 -14.664 61 H ALA 10 H ALA 10 3.548 -9.410 -9.410 62 HA ALA 10 HA ALA 10 4.779 -7.079 -7.079 63 1HB ALA 10 2HB ALA 10 6.535 -9.329 -9.329 64 2HB ALA 10 3HB ALA 10 7.294 -8.109 -8.109 65 3HB ALA 10 1HB ALA 10 6.552 -7.619 -7.619 66 H CYS 11 H CYS 11 3.265 -7.777 -7.777 67 HA CYS 11 HA CYS 11 4.618 -9.048 -9.048 68 1HB CYS 11 1HB CYS 11 2.053 -8.708 -8.708 69 2HB CYS 11 2HB CYS 11 2.271 -7.237 -7.237 70 H GLU 12 H GLU 12 4.309 -5.756 -5.756 71 HA GLU 12 HA GLU 12 5.334 -3.900 -3.900 72 1HB GLU 12 1HB GLU 12 7.066 -5.869 -5.869 73 2HB GLU 12 2HB GLU 12 7.210 -4.226 -4.226 74 1HG GLU 12 1HG GLU 12 8.757 -4.143 -4.143 75 2HG GLU 12 2HG GLU 12 7.327 -3.625 -3.625 76 H ALA 13 H ALA 13 3.185 -5.389 -5.389 77 HA ALA 13 HA ALA 13 3.450 -4.084 -4.084 78 1HB ALA 13 1HB ALA 13 2.036 -6.199 -6.199 79 2HB ALA 13 2HB ALA 13 0.772 -4.948 -4.948 80 3HB ALA 13 3HB ALA 13 1.583 -5.294 -5.294 81 H CYS 14 H CYS 14 1.518 -3.459 -3.459 82 HA CYS 14 HA CYS 14 0.189 -1.232 -1.232 83 1HB CYS 14 1HB CYS 14 -0.277 -0.700 -0.700 84 2HB CYS 14 2HB CYS 14 -0.504 -2.408 -2.408 85 H VAL 15 H VAL 15 3.446 -1.740 -1.740 86 HA VAL 15 HA VAL 15 3.990 1.037 1.037 87 HB VAL 15 HB VAL 15 5.742 -1.427 -1.427 88 1HG1 VAL 15 3HG1 VAL 15 6.390 1.475 1.475 89 2HG1 VAL 15 1HG1 VAL 15 7.264 0.272 0.272 90 3HG1 VAL 15 2HG1 VAL 15 7.323 0.187 0.187 91 1HG2 VAL 15 2HG2 VAL 15 4.309 0.089 0.089 92 2HG2 VAL 15 3HG2 VAL 15 4.426 -1.665 -1.665 93 3HG2 VAL 15 1HG2 VAL 15 5.824 -0.770 -0.770 94 H GLU 16 H GLU 16 4.266 -1.371 -1.371 95 HA GLU 16 HA GLU 16 6.018 0.234 0.234 96 1HB GLU 16 1HB GLU 16 4.527 -2.343 -2.343 97 2HB GLU 16 2HB GLU 16 4.995 -1.498 -1.498 98 1HG GLU 16 1HG GLU 16 7.084 -1.773 -1.773 99 2HG GLU 16 2HG GLU 16 6.648 -3.226 -3.226 100 H ILE 17 H ILE 17 2.641 0.290 0.290 101 HA ILE 17 HA ILE 17 2.020 1.654 1.654 102 HB ILE 17 HB ILE 17 0.654 -0.223 -0.223 103 1HG1 ILE 17 1HG1 ILE 17 0.253 0.091 0.091 104 2HG1 ILE 17 2HG1 ILE 17 -1.287 0.449 0.449 105 1HG2 ILE 17 3HG2 ILE 17 -0.521 2.498 2.498 106 2HG2 ILE 17 1HG2 ILE 17 -1.387 0.954 0.954 107 3HG2 ILE 17 2HG2 ILE 17 0.070 1.279 1.279 108 1HD1 ILE 17 2HD1 ILE 17 -0.357 2.930 2.930 109 2HD1 ILE 17 3HD1 ILE 17 0.697 2.305 2.305 110 3HD1 ILE 17 1HD1 ILE 17 -1.073 2.233 2.233 111 H CYS 18 H CYS 18 1.981 2.086 2.086 112 HA CYS 18 HA CYS 18 2.183 4.950 4.950 113 1HB CYS 18 1HB CYS 18 -0.197 3.913 3.913 114 2HB CYS 18 2HB CYS 18 0.530 4.159 4.159 115 HA PRO 19 HA PRO 19 5.267 3.369 3.369 116 1HB PRO 19 1HB PRO 19 7.465 4.512 4.512 117 2HB PRO 19 2HB PRO 19 6.936 2.880 2.880 118 1HG PRO 19 1HG PRO 19 6.674 5.317 5.317 119 2HG PRO 19 2HG PRO 19 6.547 3.638 3.638 120 1HD PRO 19 1HD PRO 19 4.382 5.477 5.477 121 2HD PRO 19 2HD PRO 19 4.252 3.770 3.770 122 H ASP 20 H ASP 20 3.795 6.165 6.165 123 HA ASP 20 HA ASP 20 5.501 7.659 7.659 124 1HB ASP 20 1HB ASP 20 3.827 8.308 8.308 125 2HB ASP 20 2HB ASP 20 3.198 9.164 9.164 126 H VAL 21 H VAL 21 2.782 5.610 5.610 127 HA VAL 21 HA VAL 21 1.606 6.962 6.962 128 HB VAL 21 HB VAL 21 0.359 4.984 4.984 129 1HG1 VAL 21 2HG1 VAL 21 -0.528 6.216 6.216 130 2HG1 VAL 21 3HG1 VAL 21 -1.729 6.146 6.146 131 3HG1 VAL 21 1HG1 VAL 21 -0.956 4.652 4.652 132 1HG2 VAL 21 1HG2 VAL 21 0.861 7.233 7.233 133 2HG2 VAL 21 2HG2 VAL 21 -0.871 6.825 6.825 134 3HG2 VAL 21 3HG2 VAL 21 -0.187 7.958 7.958 135 H PHE 22 H PHE 22 3.050 4.008 4.008 136 HA PHE 22 HA PHE 22 3.094 2.939 2.939 137 1HB PHE 22 1HB PHE 22 2.751 1.330 1.330 138 2HB PHE 22 2HB PHE 22 2.566 0.723 0.723 139 HD1 PHE 22 2HD PHE 22 0.650 1.777 1.777 140 HD2 PHE 22 1HD PHE 22 0.878 2.026 2.026 141 HE1 PHE 22 2HE PHE 22 -1.813 2.244 2.244 142 HE2 PHE 22 1HE PHE 22 -1.586 2.493 2.493 143 HZ PHE 22 HZ PHE 22 -2.903 2.597 2.597 144 H GLU 23 H GLU 23 5.181 2.727 2.727 145 HA GLU 23 HA GLU 23 7.097 2.060 2.060 146 1HB GLU 23 1HB GLU 23 7.897 4.147 4.147 147 2HB GLU 23 2HB GLU 23 7.153 4.150 4.150 148 1HG GLU 23 1HG GLU 23 9.594 4.068 4.068 149 2HG GLU 23 2HG GLU 23 8.900 2.567 2.567 150 H MET 24 H MET 24 8.126 0.125 0.125 151 HA MET 24 HA MET 24 7.502 -1.708 -1.708 152 1HB MET 24 1HB MET 24 10.452 -1.393 -1.393 153 2HB MET 24 2HB MET 24 9.473 -2.845 -2.845 154 1HG MET 24 1HG MET 24 8.178 -1.576 -1.576 155 2HG MET 24 2HG MET 24 9.617 -0.579 -0.579 156 1HE MET 24 3HE MET 24 9.065 -1.745 -1.745 157 2HE MET 24 1HE MET 24 10.752 -1.228 -1.228 158 3HE MET 24 2HE MET 24 10.401 -2.811 -2.811 159 H ASN 25 H ASN 25 8.323 -2.552 -2.552 160 HA ASN 25 HA ASN 25 8.719 -0.609 -0.609 161 1HB ASN 25 1HB ASN 25 7.975 -3.121 -3.121 162 2HB ASN 25 2HB ASN 25 9.686 -3.486 -3.486 163 1HD2 ASN 25 1HD2 ASN 25 10.293 -3.823 -3.823 164 2HD2 ASN 25 2HD2 ASN 25 9.827 -2.932 -2.932 165 H GLU 26 H GLU 26 10.974 -2.341 -2.341 166 HA GLU 26 HA GLU 26 13.139 -0.889 -0.889 167 1HB GLU 26 1HB GLU 26 12.418 -1.022 -1.022 168 2HB GLU 26 2HB GLU 26 13.604 -2.311 -2.311 169 1HG GLU 26 1HG GLU 26 15.334 -0.826 -0.826 170 2HG GLU 26 2HG GLU 26 14.180 0.440 0.440 171 H GLU 27 H GLU 27 11.740 -4.018 -4.018 172 HA GLU 27 HA GLU 27 14.299 -5.207 -5.207 173 1HB GLU 27 1HB GLU 27 11.911 -6.806 -6.806 174 2HB GLU 27 2HB GLU 27 13.600 -7.268 -7.268 175 1HG GLU 27 1HG GLU 27 13.570 -4.934 -4.934 176 2HG GLU 27 2HG GLU 27 12.085 -5.747 -5.747 177 H GLY 28 H GLY 28 11.339 -4.071 -4.071 178 1HA GLY 28 1HA GLY 28 10.419 -4.189 -4.189 179 2HA GLY 28 2HA GLY 28 11.758 -5.189 -5.189 180 H ASP 29 H ASP 29 9.505 -5.852 -5.852 181 HA ASP 29 HA ASP 29 8.542 -8.120 -8.120 182 1HB ASP 29 1HB ASP 29 10.082 -8.298 -8.298 183 2HB ASP 29 2HB ASP 29 8.482 -8.283 -8.283 184 H LYS 30 H LYS 30 7.787 -5.131 -5.131 185 HA LYS 30 HA LYS 30 4.983 -5.702 -5.702 186 1HB LYS 30 1HB LYS 30 5.872 -6.195 -6.195 187 2HB LYS 30 2HB LYS 30 6.133 -4.468 -4.468 188 1HG LYS 30 1HG LYS 30 3.701 -4.101 -4.101 189 2HG LYS 30 2HG LYS 30 3.473 -5.838 -5.838 190 1HD LYS 30 1HD LYS 30 3.070 -5.712 -5.712 191 2HD LYS 30 2HD LYS 30 4.752 -5.282 -5.282 192 1HE LYS 30 1HE LYS 30 4.295 -3.025 -3.025 193 2HE LYS 30 2HE LYS 30 2.920 -3.069 -3.069 194 1HZ LYS 30 1HZ LYS 30 3.002 -3.899 -3.899 195 2HZ LYS 30 2HZ LYS 30 2.014 -2.805 -2.805 196 H ALA 31 H ALA 31 4.001 -4.069 -4.069 197 HA ALA 31 HA ALA 31 5.564 -1.754 -1.754 198 1HB ALA 31 3HB ALA 31 3.542 -3.235 -3.235 199 2HB ALA 31 1HB ALA 31 2.717 -1.732 -1.732 200 3HB ALA 31 2HB ALA 31 4.162 -1.662 -1.662 201 H VAL 32 H VAL 32 5.833 -0.196 -0.196 202 HA VAL 32 HA VAL 32 3.742 0.245 0.245 203 HB VAL 32 HB VAL 32 6.429 1.567 1.567 204 1HG1 VAL 32 3HG1 VAL 32 4.266 1.933 1.933 205 2HG1 VAL 32 1HG1 VAL 32 5.958 2.016 2.016 206 3HG1 VAL 32 2HG1 VAL 32 5.373 3.124 3.124 207 1HG2 VAL 32 3HG2 VAL 32 6.441 -0.913 -0.913 208 2HG2 VAL 32 1HG2 VAL 32 7.305 0.120 0.120 209 3HG2 VAL 32 2HG2 VAL 32 5.688 -0.511 -0.511 210 H VAL 33 H VAL 33 2.634 2.271 2.271 211 HA VAL 33 HA VAL 33 2.051 3.535 3.535 212 HB VAL 33 HB VAL 33 1.006 4.137 4.137 213 1HG1 VAL 33 2HG1 VAL 33 0.636 5.815 5.815 214 2HG1 VAL 33 3HG1 VAL 33 -0.370 4.570 4.570 215 3HG1 VAL 33 1HG1 VAL 33 -0.822 5.208 5.208 216 1HG2 VAL 33 3HG2 VAL 33 -0.029 2.161 2.161 217 2HG2 VAL 33 1HG2 VAL 33 0.667 1.773 1.773 218 3HG2 VAL 33 2HG2 VAL 33 -0.883 2.641 2.641 219 H ILE 34 H ILE 34 2.517 5.663 5.663 220 HA ILE 34 HA ILE 34 4.357 7.060 7.060 221 HB ILE 34 HB ILE 34 4.816 7.873 7.873 222 1HG1 ILE 34 1HG1 ILE 34 4.954 4.858 4.858 223 2HG1 ILE 34 2HG1 ILE 34 3.733 5.739 5.739 224 1HG2 ILE 34 1HG2 ILE 34 6.305 7.670 7.670 225 2HG2 ILE 34 2HG2 ILE 34 6.645 6.037 6.037 226 3HG2 ILE 34 3HG2 ILE 34 7.027 7.463 7.463 227 1HD1 ILE 34 3HD1 ILE 34 6.734 6.060 6.060 228 2HD1 ILE 34 1HD1 ILE 34 5.766 4.841 4.841 229 3HD1 ILE 34 2HD1 ILE 34 5.421 6.573 6.573 230 H ASN 35 H ASN 35 1.703 7.229 7.229 231 HA ASN 35 HA ASN 35 1.302 9.980 9.980 232 1HB ASN 35 1HB ASN 35 1.718 9.382 9.382 233 2HB ASN 35 2HB ASN 35 0.088 8.741 8.741 234 1HD2 ASN 35 1HD2 ASN 35 1.311 11.047 11.047 235 2HD2 ASN 35 2HD2 ASN 35 0.351 12.433 12.433 236 HA PRO 36 HA PRO 36 -2.205 7.610 7.610 237 1HB PRO 36 1HB PRO 36 -2.432 8.930 8.930 238 2HB PRO 36 2HB PRO 36 -1.464 7.484 7.484 239 1HG PRO 36 1HG PRO 36 -0.573 10.291 10.291 240 2HG PRO 36 2HG PRO 36 0.354 8.820 8.820 241 1HD PRO 36 1HD PRO 36 0.424 10.570 10.570 242 2HD PRO 36 2HD PRO 36 1.262 9.041 9.041 243 H ASP 37 H ASP 37 -2.337 9.613 9.613 244 HA ASP 37 HA ASP 37 -4.969 10.266 10.266 245 1HB ASP 37 1HB ASP 37 -4.301 11.793 11.793 246 2HB ASP 37 2HB ASP 37 -3.106 12.550 12.550 247 H SER 38 H SER 38 -3.124 9.301 9.301 248 HA SER 38 HA SER 38 -2.393 11.481 11.481 249 1HB SER 38 1HB SER 38 -1.611 8.769 8.769 250 2HB SER 38 2HB SER 38 -2.299 8.865 8.865 251 HG SER 38 HG SER 38 -0.641 11.033 11.033 252 H ASP 39 H ASP 39 -4.093 8.432 8.432 253 HA ASP 39 HA ASP 39 -5.779 8.057 8.057 254 1HB ASP 39 1HB ASP 39 -6.921 9.343 9.343 255 2HB ASP 39 2HB ASP 39 -6.954 10.731 10.731 256 H LEU 40 H LEU 40 -3.675 9.085 9.085 257 HA LEU 40 HA LEU 40 -4.530 11.409 11.409 258 1HB LEU 40 1HB LEU 40 -2.142 9.832 9.832 259 2HB LEU 40 2HB LEU 40 -2.388 11.566 11.566 260 HG LEU 40 HG LEU 40 -2.494 10.735 10.735 261 1HD1 LEU 40 1HD1 LEU 40 -0.327 9.290 9.290 262 2HD1 LEU 40 2HD1 LEU 40 -0.230 9.627 9.627 263 3HD1 LEU 40 3HD1 LEU 40 -1.543 8.609 8.609 264 1HD2 LEU 40 3HD2 LEU 40 -1.579 12.847 12.847 265 2HD2 LEU 40 1HD2 LEU 40 -0.622 12.158 12.158 266 3HD2 LEU 40 2HD2 LEU 40 -0.095 11.929 11.929 267 H ASP 41 H ASP 41 -5.738 8.446 8.446 268 HA ASP 41 HA ASP 41 -7.132 7.615 7.615 269 1HB ASP 41 1HB ASP 41 -6.530 9.728 9.728 270 2HB ASP 41 2HB ASP 41 -5.426 8.647 8.647 271 H CYS 42 H CYS 42 -3.927 7.214 7.214 272 HA CYS 42 HA CYS 42 -3.546 4.985 4.985 273 1HB CYS 42 1HB CYS 42 -1.171 5.065 5.065 274 2HB CYS 42 2HB CYS 42 -1.681 6.349 6.349 275 H VAL 43 H VAL 43 -5.185 5.426 5.426 276 HA VAL 43 HA VAL 43 -3.894 3.394 3.394 277 HB VAL 43 HB VAL 43 -6.142 5.353 5.353 278 1HG1 VAL 43 2HG1 VAL 43 -5.519 2.917 2.917 279 2HG1 VAL 43 3HG1 VAL 43 -6.356 4.346 4.346 280 3HG1 VAL 43 1HG1 VAL 43 -7.081 3.423 3.423 281 1HG2 VAL 43 2HG2 VAL 43 -3.449 4.864 4.864 282 2HG2 VAL 43 3HG2 VAL 43 -4.053 6.330 6.330 283 3HG2 VAL 43 1HG2 VAL 43 -4.699 5.861 5.861 284 H GLU 44 H GLU 44 -6.524 3.868 3.868 285 HA GLU 44 HA GLU 44 -7.872 1.493 1.493 286 1HB GLU 44 1HB GLU 44 -9.460 2.025 2.025 287 2HB GLU 44 2HB GLU 44 -8.923 3.581 3.581 288 1HG GLU 44 1HG GLU 44 -7.126 3.431 3.431 289 2HG GLU 44 2HG GLU 44 -8.194 2.215 2.215 290 H GLU 45 H GLU 45 -5.447 2.483 2.483 291 HA GLU 45 HA GLU 45 -5.647 -0.002 -0.002 292 1HB GLU 45 1HB GLU 45 -3.768 0.880 0.880 293 2HB GLU 45 2HB GLU 45 -5.061 2.055 2.055 294 1HG GLU 45 1HG GLU 45 -3.664 2.879 2.879 295 2HG GLU 45 2HG GLU 45 -2.340 2.069 2.069 296 H ALA 46 H ALA 46 -4.284 1.003 1.003 297 HA ALA 46 HA ALA 46 -1.982 -0.765 -0.765 298 1HB ALA 46 3HB ALA 46 -1.973 1.576 1.576 299 2HB ALA 46 1HB ALA 46 -2.909 0.857 0.857 300 3HB ALA 46 2HB ALA 46 -1.273 0.257 0.257 301 H ILE 47 H ILE 47 -5.315 -0.690 -0.690 302 HA ILE 47 HA ILE 47 -4.905 -2.959 -2.959 303 HB ILE 47 HB ILE 47 -7.140 -1.057 -1.057 304 1HG1 ILE 47 1HG1 ILE 47 -6.577 -1.879 -1.879 305 2HG1 ILE 47 2HG1 ILE 47 -5.169 -1.178 -1.178 306 1HG2 ILE 47 2HG2 ILE 47 -7.428 -3.796 -3.796 307 2HG2 ILE 47 3HG2 ILE 47 -8.596 -2.473 -2.473 308 3HG2 ILE 47 1HG2 ILE 47 -8.305 -3.126 -3.126 309 1HD1 ILE 47 1HD1 ILE 47 -7.571 0.348 0.348 310 2HD1 ILE 47 2HD1 ILE 47 -7.387 0.167 0.167 311 3HD1 ILE 47 3HD1 ILE 47 -6.075 0.887 0.887 312 H ASP 48 H ASP 48 -6.540 -2.072 -2.072 313 HA ASP 48 HA ASP 48 -7.730 -4.491 -4.491 314 1HB ASP 48 1HB ASP 48 -7.380 -2.078 -2.078 315 2HB ASP 48 2HB ASP 48 -6.575 -3.235 -3.235 316 H SER 49 H SER 49 -4.418 -3.255 -3.255 317 HA SER 49 HA SER 49 -3.665 -5.550 -5.550 318 1HB SER 49 1HB SER 49 -2.053 -3.322 -3.322 319 2HB SER 49 2HB SER 49 -1.318 -4.587 -4.587 320 HG SER 49 HG SER 49 -1.713 -2.795 -2.795 321 H CYS 50 H CYS 50 -4.058 -4.828 -4.828 322 HA CYS 50 HA CYS 50 -2.083 -6.738 -6.738 323 1HB CYS 50 1HB CYS 50 -2.295 -4.828 -4.828 324 2HB CYS 50 2HB CYS 50 -4.042 -4.956 -4.956 325 HA PRO 51 HA PRO 51 -5.190 -9.851 -9.851 326 1HB PRO 51 1HB PRO 51 -3.553 -12.008 -12.008 327 2HB PRO 51 2HB PRO 51 -3.804 -11.252 -11.252 328 1HG PRO 51 1HG PRO 51 -1.460 -11.073 -11.073 329 2HG PRO 51 2HG PRO 51 -1.568 -10.694 -10.694 330 1HD PRO 51 1HD PRO 51 -1.501 -8.822 -8.822 331 2HD PRO 51 2HD PRO 51 -1.725 -8.450 -8.450 332 H ALA 52 H ALA 52 -3.016 -9.424 -9.424 333 HA ALA 52 HA ALA 52 -4.564 -11.156 -11.156 334 1HB ALA 52 1HB ALA 52 -1.986 -9.769 -9.769 335 2HB ALA 52 2HB ALA 52 -2.852 -9.607 -9.607 336 3HB ALA 52 3HB ALA 52 -2.505 -11.223 -11.223 337 H GLU 53 H GLU 53 -4.992 -8.072 -8.072 338 HA GLU 53 HA GLU 53 -5.940 -6.201 -6.201 339 1HB GLU 53 1HB GLU 53 -8.306 -6.502 -6.502 340 2HB GLU 53 2HB GLU 53 -7.745 -7.825 -7.825 341 1HG GLU 53 1HG GLU 53 -7.559 -8.621 -8.621 342 2HG GLU 53 2HG GLU 53 -9.164 -7.983 -7.983 343 H ALA 54 H ALA 54 -4.060 -6.788 -6.788 344 HA ALA 54 HA ALA 54 -5.324 -6.918 -6.918 345 1HB ALA 54 1HB ALA 54 -3.074 -7.932 -7.932 346 2HB ALA 54 2HB ALA 54 -2.432 -6.272 -6.272 347 3HB ALA 54 3HB ALA 54 -3.082 -6.960 -6.960 348 H ILE 55 H ILE 55 -4.792 -4.516 -4.516 349 HA ILE 55 HA ILE 55 -4.419 -2.383 -2.383 350 HB ILE 55 HB ILE 55 -4.721 -2.332 -2.332 351 1HG1 ILE 55 1HG1 ILE 55 -2.706 -3.560 -3.560 352 2HG1 ILE 55 2HG1 ILE 55 -2.403 -2.349 -2.349 353 1HG2 ILE 55 3HG2 ILE 55 -4.517 -0.219 -0.219 354 2HG2 ILE 55 1HG2 ILE 55 -3.386 -0.058 -0.058 355 3HG2 ILE 55 2HG2 ILE 55 -5.138 -0.159 -0.159 356 1HD1 ILE 55 2HD1 ILE 55 -2.494 -1.153 -1.153 357 2HD1 ILE 55 3HD1 ILE 55 -1.286 -2.458 -2.458 358 3HD1 ILE 55 1HD1 ILE 55 -1.202 -1.085 -1.085 359 H VAL 56 H VAL 56 -6.022 -1.125 -1.125 360 HA VAL 56 HA VAL 56 -8.622 -1.215 -1.215 361 HB VAL 56 HB VAL 56 -9.587 -1.376 -1.376 362 1HG1 VAL 56 2HG1 VAL 56 -9.320 -3.171 -3.171 363 2HG1 VAL 56 3HG1 VAL 56 -8.433 -4.019 -4.019 364 3HG1 VAL 56 1HG1 VAL 56 -10.127 -3.533 -3.533 365 1HG2 VAL 56 3HG2 VAL 56 -6.732 -2.197 -2.197 366 2HG2 VAL 56 1HG2 VAL 56 -7.824 -1.259 -1.259 367 3HG2 VAL 56 2HG2 VAL 56 -8.022 -3.022 -3.022 368 H ARG 57 H ARG 57 -10.124 0.488 0.488 369 HA ARG 57 HA ARG 57 -8.417 2.815 2.815 370 1HB ARG 57 1HB ARG 57 -10.450 4.140 4.140 371 2HB ARG 57 2HB ARG 57 -9.944 3.017 3.017 372 1HG ARG 57 1HG ARG 57 -11.727 1.502 1.502 373 2HG ARG 57 2HG ARG 57 -12.014 2.171 2.171 374 1HD ARG 57 1HD ARG 57 -12.486 3.723 3.723 375 2HD ARG 57 2HD ARG 57 -13.742 2.835 2.835 376 HE ARG 57 HE ARG 57 -12.310 4.714 4.714 377 1HH1 ARG 57 2HH2 ARG 57 -15.002 4.361 4.361 378 2HH1 ARG 57 1HH2 ARG 57 -15.870 5.723 5.723 379 1HH2 ARG 57 2HH1 ARG 57 -13.448 6.480 6.480 380 2HH2 ARG 57 1HH1 ARG 57 -14.942 6.974 6.974 381 H SER 58 H SER 58 -9.443 0.652 0.652 382 HA SER 58 HA SER 58 -10.523 0.501 0.501 383 1HB SER 58 1HB SER 58 -8.311 1.673 1.673 384 2HB SER 58 2HB SER 58 -9.183 3.193 3.193 385 HG SER 58 HG SER 58 -10.052 1.006 1.006 Start of MODEL 14 1 HA PRO 1 HA PRO 1 -8.135 5.742 5.742 2 1HB PRO 1 1HB PRO 1 -6.584 6.743 6.743 3 2HB PRO 1 2HB PRO 1 -7.723 7.717 7.717 4 1HG PRO 1 1HG PRO 1 -4.776 7.653 7.653 5 2HG PRO 1 2HG PRO 1 -5.887 8.885 8.885 6 1HD PRO 1 1HD PRO 1 -4.548 6.916 6.916 7 2HD PRO 1 2HD PRO 1 -5.747 8.073 8.073 8 H ILE 2 H ILE 2 -5.040 5.550 5.550 9 HA ILE 2 HA ILE 2 -5.648 2.834 2.834 10 HB ILE 2 HB ILE 2 -3.908 3.005 3.005 11 1HG1 ILE 2 1HG1 ILE 2 -2.166 3.695 3.695 12 2HG1 ILE 2 2HG1 ILE 2 -2.081 4.589 4.589 13 1HG2 ILE 2 3HG2 ILE 2 -5.742 5.200 5.200 14 2HG2 ILE 2 1HG2 ILE 2 -4.214 5.777 5.777 15 3HG2 ILE 2 2HG2 ILE 2 -5.097 4.435 4.435 16 1HD1 ILE 2 3HD1 ILE 2 -3.469 6.405 6.405 17 2HD1 ILE 2 1HD1 ILE 2 -3.145 5.516 5.516 18 3HD1 ILE 2 2HD1 ILE 2 -1.795 6.196 6.196 19 H GLU 3 H GLU 3 -4.955 1.012 1.012 20 HA GLU 3 HA GLU 3 -2.633 1.258 1.258 21 1HB GLU 3 1HB GLU 3 -5.004 1.469 1.469 22 2HB GLU 3 2HB GLU 3 -5.000 -0.278 -0.278 23 1HG GLU 3 1HG GLU 3 -3.953 0.053 0.053 24 2HG GLU 3 2HG GLU 3 -2.587 -0.166 -0.166 25 H VAL 4 H VAL 4 -1.610 -0.855 -0.855 26 HA VAL 4 HA VAL 4 -2.269 -2.785 -2.785 27 HB VAL 4 HB VAL 4 0.028 -1.586 -1.586 28 1HG1 VAL 4 1HG1 VAL 4 0.204 -3.805 -3.805 29 2HG1 VAL 4 2HG1 VAL 4 1.602 -2.929 -2.929 30 3HG1 VAL 4 3HG1 VAL 4 0.377 -2.056 -2.056 31 1HG2 VAL 4 3HG2 VAL 4 -0.691 -3.606 -3.606 32 2HG2 VAL 4 1HG2 VAL 4 1.039 -3.285 -3.285 33 3HG2 VAL 4 2HG2 VAL 4 0.222 -4.574 -4.574 34 H ASN 5 H ASN 5 -1.648 -5.155 -5.155 35 HA ASN 5 HA ASN 5 -2.865 -5.510 -5.510 36 1HB ASN 5 1HB ASN 5 -2.949 -7.171 -7.171 37 2HB ASN 5 2HB ASN 5 -3.323 -7.908 -7.908 38 1HD2 ASN 5 1HD2 ASN 5 -5.416 -8.284 -8.284 39 2HD2 ASN 5 2HD2 ASN 5 -6.634 -7.052 -7.052 40 H ASP 6 H ASP 6 -2.225 -8.242 -8.242 41 HA ASP 6 HA ASP 6 0.669 -8.062 -8.062 42 1HB ASP 6 1HB ASP 6 -0.592 -8.354 -8.354 43 2HB ASP 6 2HB ASP 6 -1.340 -9.808 -9.808 44 H ASP 7 H ASP 7 -2.136 -10.022 -10.022 45 HA ASP 7 HA ASP 7 -0.780 -12.358 -12.358 46 1HB ASP 7 1HB ASP 7 -3.204 -11.124 -11.124 47 2HB ASP 7 2HB ASP 7 -2.708 -12.795 -12.795 48 H CYS 8 H CYS 8 -0.761 -9.204 -9.204 49 HA CYS 8 HA CYS 8 -0.420 -9.755 -9.755 50 1HB CYS 8 1HB CYS 8 -0.560 -7.508 -7.508 51 2HB CYS 8 2HB CYS 8 0.317 -7.534 -7.534 52 H MET 9 H MET 9 1.451 -10.215 -10.215 53 HA MET 9 HA MET 9 3.548 -11.512 -11.512 54 1HB MET 9 1HB MET 9 2.263 -12.699 -12.699 55 2HB MET 9 2HB MET 9 2.961 -11.562 -11.562 56 1HG MET 9 1HG MET 9 5.091 -12.498 -12.498 57 2HG MET 9 2HG MET 9 4.889 -12.987 -12.987 58 1HE MET 9 3HE MET 9 6.225 -14.341 -14.341 59 2HE MET 9 1HE MET 9 5.939 -15.867 -15.867 60 3HE MET 9 2HE MET 9 5.443 -15.705 -15.705 61 H ALA 10 H ALA 10 2.878 -8.707 -8.707 62 HA ALA 10 HA ALA 10 4.197 -6.874 -6.874 63 1HB ALA 10 2HB ALA 10 5.693 -8.168 -8.168 64 2HB ALA 10 3HB ALA 10 6.756 -8.391 -8.391 65 3HB ALA 10 1HB ALA 10 6.313 -6.751 -6.751 66 H CYS 11 H CYS 11 3.174 -7.692 -7.692 67 HA CYS 11 HA CYS 11 4.936 -8.956 -8.956 68 1HB CYS 11 1HB CYS 11 2.199 -8.294 -8.294 69 2HB CYS 11 2HB CYS 11 2.841 -7.443 -7.443 70 H GLU 12 H GLU 12 4.176 -5.632 -5.632 71 HA GLU 12 HA GLU 12 5.287 -3.774 -3.774 72 1HB GLU 12 1HB GLU 12 7.213 -5.684 -5.684 73 2HB GLU 12 2HB GLU 12 7.201 -4.417 -4.417 74 1HG GLU 12 1HG GLU 12 7.904 -2.766 -2.766 75 2HG GLU 12 2HG GLU 12 7.193 -3.568 -3.568 76 H ALA 13 H ALA 13 3.284 -5.292 -5.292 77 HA ALA 13 HA ALA 13 3.652 -3.953 -3.953 78 1HB ALA 13 2HB ALA 13 2.106 -6.052 -6.052 79 2HB ALA 13 3HB ALA 13 0.914 -4.788 -4.788 80 3HB ALA 13 1HB ALA 13 2.026 -5.379 -5.379 81 H CYS 14 H CYS 14 1.485 -3.436 -3.436 82 HA CYS 14 HA CYS 14 0.207 -1.202 -1.202 83 1HB CYS 14 1HB CYS 14 -0.586 -0.803 -0.803 84 2HB CYS 14 2HB CYS 14 -0.568 -2.534 -2.534 85 H VAL 15 H VAL 15 3.368 -1.727 -1.727 86 HA VAL 15 HA VAL 15 3.830 1.029 1.029 87 HB VAL 15 HB VAL 15 5.639 -1.389 -1.389 88 1HG1 VAL 15 2HG1 VAL 15 6.582 1.105 1.105 89 2HG1 VAL 15 3HG1 VAL 15 6.427 1.052 1.052 90 3HG1 VAL 15 1HG1 VAL 15 7.432 -0.152 -0.152 91 1HG2 VAL 15 2HG2 VAL 15 4.103 -0.044 -0.044 92 2HG2 VAL 15 3HG2 VAL 15 4.177 -1.768 -1.768 93 3HG2 VAL 15 1HG2 VAL 15 5.575 -0.987 -0.987 94 H GLU 16 H GLU 16 4.540 -1.254 -1.254 95 HA GLU 16 HA GLU 16 6.168 0.642 0.642 96 1HB GLU 16 1HB GLU 16 5.471 -2.151 -2.151 97 2HB GLU 16 2HB GLU 16 5.212 -1.364 -1.364 98 1HG GLU 16 1HG GLU 16 7.456 -1.617 -1.617 99 2HG GLU 16 2HG GLU 16 7.633 -0.256 -0.256 100 H ILE 17 H ILE 17 2.740 -0.051 -0.051 101 HA ILE 17 HA ILE 17 2.132 1.297 1.297 102 HB ILE 17 HB ILE 17 0.930 -0.701 -0.701 103 1HG1 ILE 17 1HG1 ILE 17 0.770 -0.447 -0.447 104 2HG1 ILE 17 2HG1 ILE 17 -0.865 -0.530 -0.530 105 1HG2 ILE 17 3HG2 ILE 17 -0.645 1.860 1.860 106 2HG2 ILE 17 1HG2 ILE 17 -1.321 0.227 0.227 107 3HG2 ILE 17 2HG2 ILE 17 -0.015 0.790 0.790 108 1HD1 ILE 17 2HD1 ILE 17 -0.078 2.219 2.219 109 2HD1 ILE 17 3HD1 ILE 17 0.363 1.532 1.532 110 3HD1 ILE 17 1HD1 ILE 17 -1.317 1.429 1.429 111 H CYS 18 H CYS 18 2.073 1.858 1.858 112 HA CYS 18 HA CYS 18 1.757 4.686 4.686 113 1HB CYS 18 1HB CYS 18 -0.453 3.407 3.407 114 2HB CYS 18 2HB CYS 18 0.226 3.600 3.600 115 HA PRO 19 HA PRO 19 5.034 3.650 3.650 116 1HB PRO 19 1HB PRO 19 7.106 4.894 4.894 117 2HB PRO 19 2HB PRO 19 6.742 3.191 3.191 118 1HG PRO 19 1HG PRO 19 6.235 5.424 5.424 119 2HG PRO 19 2HG PRO 19 6.279 3.704 3.704 120 1HD PRO 19 1HD PRO 19 3.940 5.344 5.344 121 2HD PRO 19 2HD PRO 19 3.983 3.605 3.605 122 H ASP 20 H ASP 20 3.250 6.178 6.178 123 HA ASP 20 HA ASP 20 4.812 8.013 8.013 124 1HB ASP 20 1HB ASP 20 3.589 8.476 8.476 125 2HB ASP 20 2HB ASP 20 2.205 8.766 8.766 126 H VAL 21 H VAL 21 2.329 5.695 5.695 127 HA VAL 21 HA VAL 21 1.082 7.101 7.101 128 HB VAL 21 HB VAL 21 -0.080 5.003 5.003 129 1HG1 VAL 21 3HG1 VAL 21 -0.768 5.320 5.320 130 2HG1 VAL 21 1HG1 VAL 21 -1.802 6.568 6.568 131 3HG1 VAL 21 2HG1 VAL 21 -1.931 4.877 4.877 132 1HG2 VAL 21 2HG2 VAL 21 0.217 7.267 7.267 133 2HG2 VAL 21 3HG2 VAL 21 -1.482 6.749 6.749 134 3HG2 VAL 21 1HG2 VAL 21 -0.823 7.934 7.934 135 H PHE 22 H PHE 22 2.658 4.176 4.176 136 HA PHE 22 HA PHE 22 2.830 3.228 3.228 137 1HB PHE 22 1HB PHE 22 2.479 1.511 1.511 138 2HB PHE 22 2HB PHE 22 2.421 0.939 0.939 139 HD1 PHE 22 2HD PHE 22 0.528 1.987 1.987 140 HD2 PHE 22 1HD PHE 22 0.496 1.981 1.981 141 HE1 PHE 22 2HE PHE 22 -1.962 2.297 2.297 142 HE2 PHE 22 1HE PHE 22 -1.995 2.291 2.291 143 HZ PHE 22 HZ PHE 22 -3.194 2.445 2.445 144 H GLU 23 H GLU 23 4.911 2.874 2.874 145 HA GLU 23 HA GLU 23 6.822 2.406 2.406 146 1HB GLU 23 1HB GLU 23 7.571 4.487 4.487 147 2HB GLU 23 2HB GLU 23 6.844 4.394 4.394 148 1HG GLU 23 1HG GLU 23 8.668 3.207 3.207 149 2HG GLU 23 2HG GLU 23 9.187 2.589 2.589 150 H MET 24 H MET 24 8.127 0.612 0.612 151 HA MET 24 HA MET 24 7.548 -1.419 -1.419 152 1HB MET 24 1HB MET 24 10.412 -0.532 -0.532 153 2HB MET 24 2HB MET 24 9.907 -2.180 -2.180 154 1HG MET 24 1HG MET 24 9.172 -2.471 -2.471 155 2HG MET 24 2HG MET 24 8.257 -0.977 -0.977 156 1HE MET 24 2HE MET 24 9.779 1.375 1.375 157 2HE MET 24 3HE MET 24 10.622 1.704 1.704 158 3HE MET 24 1HE MET 24 8.939 1.125 1.125 159 H ASN 25 H ASN 25 8.540 -2.416 -2.416 160 HA ASN 25 HA ASN 25 8.621 -0.507 -0.507 161 1HB ASN 25 1HB ASN 25 7.797 -3.006 -3.006 162 2HB ASN 25 2HB ASN 25 9.485 -3.423 -3.423 163 1HD2 ASN 25 1HD2 ASN 25 9.986 -3.802 -3.802 164 2HD2 ASN 25 2HD2 ASN 25 9.397 -2.986 -2.986 165 H GLU 26 H GLU 26 10.689 -2.228 -2.228 166 HA GLU 26 HA GLU 26 12.910 -0.639 -0.639 167 1HB GLU 26 1HB GLU 26 12.079 -2.095 -2.095 168 2HB GLU 26 2HB GLU 26 13.365 -3.122 -3.122 169 1HG GLU 26 1HG GLU 26 14.987 -1.313 -1.313 170 2HG GLU 26 2HG GLU 26 13.735 -0.124 -0.124 171 H GLU 27 H GLU 27 11.716 -3.699 -3.699 172 HA GLU 27 HA GLU 27 14.010 -3.835 -3.835 173 1HB GLU 27 1HB GLU 27 13.401 -6.528 -6.528 174 2HB GLU 27 2HB GLU 27 14.952 -5.732 -5.732 175 1HG GLU 27 1HG GLU 27 14.575 -4.506 -4.506 176 2HG GLU 27 2HG GLU 27 13.000 -5.257 -5.257 177 H GLY 28 H GLY 28 10.909 -3.406 -3.406 178 1HA GLY 28 1HA GLY 28 9.251 -3.715 -3.715 179 2HA GLY 28 2HA GLY 28 10.339 -4.666 -4.666 180 H ASP 29 H ASP 29 9.807 -5.459 -5.459 181 HA ASP 29 HA ASP 29 8.804 -8.007 -8.007 182 1HB ASP 29 1HB ASP 29 10.436 -7.217 -7.217 183 2HB ASP 29 2HB ASP 29 8.905 -7.249 -7.249 184 H LYS 30 H LYS 30 7.545 -4.926 -4.926 185 HA LYS 30 HA LYS 30 4.885 -5.844 -5.844 186 1HB LYS 30 1HB LYS 30 5.574 -6.390 -6.390 187 2HB LYS 30 2HB LYS 30 5.853 -4.682 -4.682 188 1HG LYS 30 1HG LYS 30 3.543 -4.130 -4.130 189 2HG LYS 30 2HG LYS 30 3.189 -5.650 -5.650 190 1HD LYS 30 1HD LYS 30 2.923 -6.781 -6.781 191 2HD LYS 30 2HD LYS 30 4.289 -5.984 -5.984 192 1HE LYS 30 1HE LYS 30 1.872 -4.283 -4.283 193 2HE LYS 30 2HE LYS 30 1.741 -5.496 -5.496 194 1HZ LYS 30 1HZ LYS 30 3.693 -4.490 -4.490 195 2HZ LYS 30 2HZ LYS 30 3.875 -3.437 -3.437 196 H ALA 31 H ALA 31 4.778 -4.420 -4.420 197 HA ALA 31 HA ALA 31 5.727 -1.940 -1.940 198 1HB ALA 31 3HB ALA 31 4.390 -3.137 -3.137 199 2HB ALA 31 1HB ALA 31 2.925 -2.914 -2.914 200 3HB ALA 31 2HB ALA 31 3.735 -1.503 -1.503 201 H VAL 32 H VAL 32 5.685 -0.076 -0.076 202 HA VAL 32 HA VAL 32 3.627 0.164 0.164 203 HB VAL 32 HB VAL 32 6.180 1.724 1.724 204 1HG1 VAL 32 2HG1 VAL 32 4.084 1.732 1.732 205 2HG1 VAL 32 3HG1 VAL 32 5.764 2.207 2.207 206 3HG1 VAL 32 1HG1 VAL 32 4.819 3.104 3.104 207 1HG2 VAL 32 3HG2 VAL 32 6.424 -0.772 -0.772 208 2HG2 VAL 32 1HG2 VAL 32 7.248 0.349 0.349 209 3HG2 VAL 32 2HG2 VAL 32 5.716 -0.418 -0.418 210 H VAL 33 H VAL 33 2.903 2.563 2.563 211 HA VAL 33 HA VAL 33 2.031 3.535 3.535 212 HB VAL 33 HB VAL 33 1.032 4.098 4.098 213 1HG1 VAL 33 2HG1 VAL 33 0.636 5.979 5.979 214 2HG1 VAL 33 3HG1 VAL 33 -0.156 4.872 4.872 215 3HG1 VAL 33 1HG1 VAL 33 -0.883 5.167 5.167 216 1HG2 VAL 33 2HG2 VAL 33 0.741 1.753 1.753 217 2HG2 VAL 33 3HG2 VAL 33 -0.501 2.434 2.434 218 3HG2 VAL 33 1HG2 VAL 33 -0.639 2.645 2.645 219 H ILE 34 H ILE 34 2.344 5.700 5.700 220 HA ILE 34 HA ILE 34 4.254 7.175 7.175 221 HB ILE 34 HB ILE 34 4.454 7.893 7.893 222 1HG1 ILE 34 1HG1 ILE 34 5.006 4.959 4.959 223 2HG1 ILE 34 2HG1 ILE 34 3.573 5.570 5.570 224 1HG2 ILE 34 1HG2 ILE 34 6.065 7.882 7.882 225 2HG2 ILE 34 2HG2 ILE 34 6.634 6.401 6.401 226 3HG2 ILE 34 3HG2 ILE 34 6.662 7.953 7.953 227 1HD1 ILE 34 2HD1 ILE 34 6.400 6.341 6.341 228 2HD1 ILE 34 3HD1 ILE 34 5.644 4.837 4.837 229 3HD1 ILE 34 1HD1 ILE 34 4.912 6.411 6.411 230 H ASN 35 H ASN 35 1.425 7.208 7.208 231 HA ASN 35 HA ASN 35 1.018 9.976 9.976 232 1HB ASN 35 1HB ASN 35 1.223 9.203 9.203 233 2HB ASN 35 2HB ASN 35 -0.440 8.693 8.693 234 1HD2 ASN 35 1HD2 ASN 35 1.196 11.003 11.003 235 2HD2 ASN 35 2HD2 ASN 35 0.248 12.416 12.416 236 HA PRO 36 HA PRO 36 -2.278 7.563 7.563 237 1HB PRO 36 1HB PRO 36 -2.355 8.949 8.949 238 2HB PRO 36 2HB PRO 36 -1.363 7.524 7.524 239 1HG PRO 36 1HG PRO 36 -0.537 10.360 10.360 240 2HG PRO 36 2HG PRO 36 0.448 8.922 8.922 241 1HD PRO 36 1HD PRO 36 0.284 10.603 10.603 242 2HD PRO 36 2HD PRO 36 1.178 9.102 9.102 243 H ASP 37 H ASP 37 -2.520 9.650 9.650 244 HA ASP 37 HA ASP 37 -5.167 10.148 10.148 245 1HB ASP 37 1HB ASP 37 -4.673 11.573 11.573 246 2HB ASP 37 2HB ASP 37 -3.446 12.444 12.444 247 H SER 38 H SER 38 -3.282 9.450 9.450 248 HA SER 38 HA SER 38 -2.362 11.608 11.608 249 1HB SER 38 1HB SER 38 -2.069 8.884 8.884 250 2HB SER 38 2HB SER 38 -3.130 9.137 9.137 251 HG SER 38 HG SER 38 -0.438 9.894 9.894 252 H ASP 39 H ASP 39 -3.280 11.238 11.238 253 HA ASP 39 HA ASP 39 -6.092 11.233 11.233 254 1HB ASP 39 1HB ASP 39 -4.879 13.712 13.712 255 2HB ASP 39 2HB ASP 39 -5.287 13.863 13.863 256 H LEU 40 H LEU 40 -3.677 10.016 10.016 257 HA LEU 40 HA LEU 40 -3.612 11.227 11.227 258 1HB LEU 40 1HB LEU 40 -2.073 8.906 8.906 259 2HB LEU 40 2HB LEU 40 -1.830 9.589 9.589 260 HG LEU 40 HG LEU 40 -0.948 10.567 10.567 261 1HD1 LEU 40 2HD1 LEU 40 0.088 10.319 10.319 262 2HD1 LEU 40 3HD1 LEU 40 0.728 11.662 11.662 263 3HD1 LEU 40 1HD1 LEU 40 0.874 9.987 9.987 264 1HD2 LEU 40 3HD2 LEU 40 -1.982 12.477 12.477 265 2HD2 LEU 40 1HD2 LEU 40 -2.479 12.347 12.347 266 3HD2 LEU 40 2HD2 LEU 40 -0.853 12.942 12.942 267 H ASP 41 H ASP 41 -3.223 8.931 8.931 268 HA ASP 41 HA ASP 41 -5.802 7.612 7.612 269 1HB ASP 41 1HB ASP 41 -5.675 9.306 9.306 270 2HB ASP 41 2HB ASP 41 -4.430 8.312 8.312 271 H CYS 42 H CYS 42 -3.014 6.858 6.858 272 HA CYS 42 HA CYS 42 -2.486 4.633 4.633 273 1HB CYS 42 1HB CYS 42 -0.340 4.545 4.545 274 2HB CYS 42 2HB CYS 42 -0.461 5.629 5.629 275 H VAL 43 H VAL 43 -4.021 5.538 5.538 276 HA VAL 43 HA VAL 43 -3.373 3.257 3.257 277 HB VAL 43 HB VAL 43 -5.674 5.214 5.214 278 1HG1 VAL 43 3HG1 VAL 43 -5.916 2.995 2.995 279 2HG1 VAL 43 1HG1 VAL 43 -4.547 3.521 3.521 280 3HG1 VAL 43 2HG1 VAL 43 -6.052 4.472 4.472 281 1HG2 VAL 43 2HG2 VAL 43 -2.918 5.238 5.238 282 2HG2 VAL 43 3HG2 VAL 43 -3.604 6.426 6.426 283 3HG2 VAL 43 1HG2 VAL 43 -4.262 6.286 6.286 284 H GLU 44 H GLU 44 -6.312 4.251 4.251 285 HA GLU 44 HA GLU 44 -7.805 2.059 2.059 286 1HB GLU 44 1HB GLU 44 -8.039 4.267 4.267 287 2HB GLU 44 2HB GLU 44 -7.710 3.096 3.096 288 1HG GLU 44 1HG GLU 44 -9.860 2.390 2.390 289 2HG GLU 44 2HG GLU 44 -9.606 1.866 1.866 290 H GLU 45 H GLU 45 -4.789 2.291 2.291 291 HA GLU 45 HA GLU 45 -5.274 -0.177 -0.177 292 1HB GLU 45 1HB GLU 45 -2.522 0.924 0.924 293 2HB GLU 45 2HB GLU 45 -3.546 0.444 0.444 294 1HG GLU 45 1HG GLU 45 -4.934 2.596 2.596 295 2HG GLU 45 2HG GLU 45 -3.559 3.085 3.085 296 H ALA 46 H ALA 46 -3.502 1.094 1.094 297 HA ALA 46 HA ALA 46 -1.873 -1.152 -1.152 298 1HB ALA 46 3HB ALA 46 -2.612 1.344 1.344 299 2HB ALA 46 1HB ALA 46 -2.366 0.007 0.007 300 3HB ALA 46 2HB ALA 46 -1.069 0.457 0.457 301 H ILE 47 H ILE 47 -5.294 -0.529 -0.529 302 HA ILE 47 HA ILE 47 -5.542 -2.743 -2.743 303 HB ILE 47 HB ILE 47 -7.214 -0.471 -0.471 304 1HG1 ILE 47 1HG1 ILE 47 -7.887 -0.947 -0.947 305 2HG1 ILE 47 2HG1 ILE 47 -6.298 -1.744 -1.744 306 1HG2 ILE 47 1HG2 ILE 47 -8.327 -3.201 -3.201 307 2HG2 ILE 47 2HG2 ILE 47 -9.221 -1.745 -1.745 308 3HG2 ILE 47 3HG2 ILE 47 -8.821 -2.001 -2.001 309 1HD1 ILE 47 2HD1 ILE 47 -5.978 0.715 0.715 310 2HD1 ILE 47 3HD1 ILE 47 -6.981 1.086 1.086 311 3HD1 ILE 47 1HD1 ILE 47 -5.392 0.315 0.315 312 H ASP 48 H ASP 48 -6.683 -1.761 -1.761 313 HA ASP 48 HA ASP 48 -7.942 -4.170 -4.170 314 1HB ASP 48 1HB ASP 48 -7.602 -1.733 -1.733 315 2HB ASP 48 2HB ASP 48 -6.686 -2.816 -2.816 316 H SER 49 H SER 49 -4.576 -3.175 -3.175 317 HA SER 49 HA SER 49 -3.749 -5.346 -5.346 318 1HB SER 49 1HB SER 49 -2.141 -3.233 -3.233 319 2HB SER 49 2HB SER 49 -1.447 -4.420 -4.420 320 HG SER 49 HG SER 49 -3.196 -2.221 -2.221 321 H CYS 50 H CYS 50 -4.444 -4.716 -4.716 322 HA CYS 50 HA CYS 50 -2.533 -6.635 -6.635 323 1HB CYS 50 1HB CYS 50 -2.961 -4.638 -4.638 324 2HB CYS 50 2HB CYS 50 -4.672 -5.010 -5.010 325 HA PRO 51 HA PRO 51 -5.623 -9.714 -9.714 326 1HB PRO 51 1HB PRO 51 -4.019 -11.891 -11.891 327 2HB PRO 51 2HB PRO 51 -4.168 -11.080 -11.080 328 1HG PRO 51 1HG PRO 51 -1.940 -10.977 -10.977 329 2HG PRO 51 2HG PRO 51 -1.940 -10.538 -10.538 330 1HD PRO 51 1HD PRO 51 -2.002 -8.744 -8.744 331 2HD PRO 51 2HD PRO 51 -2.120 -8.311 -8.311 332 H ALA 52 H ALA 52 -3.538 -9.538 -9.538 333 HA ALA 52 HA ALA 52 -5.340 -11.205 -11.205 334 1HB ALA 52 3HB ALA 52 -2.772 -11.127 -11.127 335 2HB ALA 52 1HB ALA 52 -2.993 -9.577 -9.577 336 3HB ALA 52 2HB ALA 52 -3.687 -11.068 -11.068 337 H GLU 53 H GLU 53 -5.309 -8.007 -8.007 338 HA GLU 53 HA GLU 53 -6.067 -6.087 -6.087 339 1HB GLU 53 1HB GLU 53 -8.078 -7.897 -7.897 340 2HB GLU 53 2HB GLU 53 -8.531 -7.368 -7.368 341 1HG GLU 53 1HG GLU 53 -7.861 -5.431 -5.431 342 2HG GLU 53 2HG GLU 53 -9.491 -5.980 -5.980 343 H ALA 54 H ALA 54 -4.275 -6.988 -6.988 344 HA ALA 54 HA ALA 54 -5.538 -7.096 -7.096 345 1HB ALA 54 2HB ALA 54 -3.036 -7.789 -7.789 346 2HB ALA 54 3HB ALA 54 -2.701 -6.555 -6.555 347 3HB ALA 54 1HB ALA 54 -3.571 -8.044 -8.044 348 H ILE 55 H ILE 55 -4.613 -4.646 -4.646 349 HA ILE 55 HA ILE 55 -4.170 -2.663 -2.663 350 HB ILE 55 HB ILE 55 -3.967 -1.173 -1.173 351 1HG1 ILE 55 1HG1 ILE 55 -3.588 -3.788 -3.788 352 2HG1 ILE 55 2HG1 ILE 55 -5.139 -2.919 -2.919 353 1HG2 ILE 55 2HG2 ILE 55 -2.138 -3.187 -3.187 354 2HG2 ILE 55 3HG2 ILE 55 -1.694 -2.608 -2.608 355 3HG2 ILE 55 1HG2 ILE 55 -1.903 -1.447 -1.447 356 1HD1 ILE 55 2HD1 ILE 55 -3.183 -0.963 -0.963 357 2HD1 ILE 55 3HD1 ILE 55 -2.667 -2.398 -2.398 358 3HD1 ILE 55 1HD1 ILE 55 -4.292 -1.719 -1.719 359 H VAL 56 H VAL 56 -5.834 -1.654 -1.654 360 HA VAL 56 HA VAL 56 -8.332 -1.456 -1.456 361 HB VAL 56 HB VAL 56 -9.307 -1.212 -1.212 362 1HG1 VAL 56 1HG1 VAL 56 -8.547 -3.569 -3.569 363 2HG1 VAL 56 2HG1 VAL 56 -8.766 -3.929 -3.929 364 3HG1 VAL 56 3HG1 VAL 56 -10.085 -3.174 -3.174 365 1HG2 VAL 56 3HG2 VAL 56 -7.111 -0.926 -0.926 366 2HG2 VAL 56 1HG2 VAL 56 -8.072 -2.266 -2.266 367 3HG2 VAL 56 2HG2 VAL 56 -6.706 -2.609 -2.609 368 H ARG 57 H ARG 57 -9.669 0.523 0.523 369 HA ARG 57 HA ARG 57 -7.821 2.743 2.743 370 1HB ARG 57 1HB ARG 57 -10.660 2.691 2.691 371 2HB ARG 57 2HB ARG 57 -9.602 4.087 4.087 372 1HG ARG 57 1HG ARG 57 -7.903 2.590 2.590 373 2HG ARG 57 2HG ARG 57 -9.242 1.487 1.487 374 1HD ARG 57 1HD ARG 57 -9.190 4.427 4.427 375 2HD ARG 57 2HD ARG 57 -9.000 3.058 3.058 376 HE ARG 57 HE ARG 57 -11.442 2.769 2.769 377 1HH1 ARG 57 2HH2 ARG 57 -10.054 4.645 4.645 378 2HH1 ARG 57 1HH2 ARG 57 -11.583 4.935 4.935 379 1HH2 ARG 57 2HH1 ARG 57 -13.423 3.153 3.153 380 2HH2 ARG 57 1HH1 ARG 57 -13.574 4.047 4.047 381 H SER 58 H SER 58 -8.617 1.376 1.376 382 HA SER 58 HA SER 58 -10.831 2.018 2.018 383 1HB SER 58 1HB SER 58 -8.812 0.786 0.786 384 2HB SER 58 2HB SER 58 -8.063 2.336 2.336 385 HG SER 58 HG SER 58 -9.234 2.524 2.524 Start of MODEL 15 1 HA PRO 1 HA PRO 1 -7.040 7.142 7.142 2 1HB PRO 1 1HB PRO 1 -4.349 6.775 6.775 3 2HB PRO 1 2HB PRO 1 -5.064 8.318 8.318 4 1HG PRO 1 1HG PRO 1 -3.603 6.418 6.418 5 2HG PRO 1 2HG PRO 1 -3.946 8.114 8.114 6 1HD PRO 1 1HD PRO 1 -5.276 5.874 5.874 7 2HD PRO 1 2HD PRO 1 -5.694 7.566 7.566 8 H ILE 2 H ILE 2 -5.175 5.808 5.808 9 HA ILE 2 HA ILE 2 -6.612 3.559 3.559 10 HB ILE 2 HB ILE 2 -4.774 2.940 2.940 11 1HG1 ILE 2 1HG1 ILE 2 -3.047 3.366 3.366 12 2HG1 ILE 2 2HG1 ILE 2 -2.570 3.674 3.674 13 1HG2 ILE 2 2HG2 ILE 2 -5.507 5.830 5.830 14 2HG2 ILE 2 3HG2 ILE 2 -4.237 5.353 5.353 15 3HG2 ILE 2 1HG2 ILE 2 -5.866 4.647 4.647 16 1HD1 ILE 2 2HD1 ILE 2 -3.628 6.109 6.109 17 2HD1 ILE 2 3HD1 ILE 2 -2.904 5.527 5.527 18 3HD1 ILE 2 1HD1 ILE 2 -1.898 5.692 5.692 19 H GLU 3 H GLU 3 -5.286 1.255 1.255 20 HA GLU 3 HA GLU 3 -4.052 0.757 0.757 21 1HB GLU 3 1HB GLU 3 -6.720 0.566 0.566 22 2HB GLU 3 2HB GLU 3 -6.423 -1.000 -1.000 23 1HG GLU 3 1HG GLU 3 -6.342 -1.485 -1.485 24 2HG GLU 3 2HG GLU 3 -4.647 -1.332 -1.332 25 H VAL 4 H VAL 4 -3.123 -1.484 -1.484 26 HA VAL 4 HA VAL 4 -3.024 -2.787 -2.787 27 HB VAL 4 HB VAL 4 -1.111 -1.380 -1.380 28 1HG1 VAL 4 3HG1 VAL 4 -1.214 -1.245 -1.245 29 2HG1 VAL 4 1HG1 VAL 4 0.061 -2.479 -2.479 30 3HG1 VAL 4 2HG1 VAL 4 0.276 -0.887 -0.887 31 1HG2 VAL 4 2HG2 VAL 4 -0.875 -3.844 -3.844 32 2HG2 VAL 4 3HG2 VAL 4 0.630 -2.952 -2.952 33 3HG2 VAL 4 1HG2 VAL 4 -0.035 -4.054 -4.054 34 H ASN 5 H ASN 5 -2.265 -2.845 -2.845 35 HA ASN 5 HA ASN 5 -2.781 -4.417 -4.417 36 1HB ASN 5 1HB ASN 5 -3.248 -6.459 -6.459 37 2HB ASN 5 2HB ASN 5 -3.852 -6.518 -6.518 38 1HD2 ASN 5 1HD2 ASN 5 -5.814 -6.909 -6.909 39 2HD2 ASN 5 2HD2 ASN 5 -6.793 -5.536 -5.536 40 H ASP 6 H ASP 6 -1.988 -7.113 -7.113 41 HA ASP 6 HA ASP 6 0.808 -6.915 -6.915 42 1HB ASP 6 1HB ASP 6 0.605 -8.969 -8.969 43 2HB ASP 6 2HB ASP 6 1.181 -7.341 -7.341 44 H ASP 7 H ASP 7 -2.204 -8.487 -8.487 45 HA ASP 7 HA ASP 7 -1.355 -11.105 -11.105 46 1HB ASP 7 1HB ASP 7 -3.721 -9.426 -9.426 47 2HB ASP 7 2HB ASP 7 -3.484 -10.910 -10.910 48 H CYS 8 H CYS 8 -0.989 -8.129 -8.129 49 HA CYS 8 HA CYS 8 -0.986 -9.011 -9.011 50 1HB CYS 8 1HB CYS 8 -0.808 -6.761 -6.761 51 2HB CYS 8 2HB CYS 8 0.089 -6.696 -6.696 52 H MET 9 H MET 9 1.032 -9.326 -9.326 53 HA MET 9 HA MET 9 2.820 -11.102 -11.102 54 1HB MET 9 1HB MET 9 1.759 -10.842 -10.842 55 2HB MET 9 2HB MET 9 3.416 -11.403 -11.403 56 1HG MET 9 1HG MET 9 2.810 -13.346 -13.346 57 2HG MET 9 2HG MET 9 1.269 -12.670 -12.670 58 1HE MET 9 1HE MET 9 -0.269 -11.702 -11.702 59 2HE MET 9 2HE MET 9 0.154 -11.658 -11.658 60 3HE MET 9 3HE MET 9 -1.037 -12.839 -12.839 61 H ALA 10 H ALA 10 3.550 -9.466 -9.466 62 HA ALA 10 HA ALA 10 4.936 -7.295 -7.295 63 1HB ALA 10 1HB ALA 10 6.370 -9.749 -9.749 64 2HB ALA 10 2HB ALA 10 7.353 -8.542 -8.542 65 3HB ALA 10 3HB ALA 10 6.470 -8.079 -8.079 66 H CYS 11 H CYS 11 3.528 -8.079 -8.079 67 HA CYS 11 HA CYS 11 5.177 -9.185 -9.185 68 1HB CYS 11 1HB CYS 11 3.325 -8.318 -8.318 69 2HB CYS 11 2HB CYS 11 2.910 -9.538 -9.538 70 H GLU 12 H GLU 12 4.194 -5.889 -5.889 71 HA GLU 12 HA GLU 12 5.236 -3.975 -3.975 72 1HB GLU 12 1HB GLU 12 7.385 -5.405 -5.405 73 2HB GLU 12 2HB GLU 12 7.223 -5.180 -5.180 74 1HG GLU 12 1HG GLU 12 7.173 -2.670 -2.670 75 2HG GLU 12 2HG GLU 12 7.484 -2.964 -2.964 76 H ALA 13 H ALA 13 3.254 -5.418 -5.418 77 HA ALA 13 HA ALA 13 3.669 -4.233 -4.233 78 1HB ALA 13 2HB ALA 13 2.317 -6.294 -6.294 79 2HB ALA 13 3HB ALA 13 1.096 -5.258 -5.258 80 3HB ALA 13 1HB ALA 13 1.441 -5.077 -5.077 81 H CYS 14 H CYS 14 1.557 -3.434 -3.434 82 HA CYS 14 HA CYS 14 0.436 -1.168 -1.168 83 1HB CYS 14 1HB CYS 14 -0.339 -0.609 -0.609 84 2HB CYS 14 2HB CYS 14 -0.494 -2.337 -2.337 85 H VAL 15 H VAL 15 3.521 -1.845 -1.845 86 HA VAL 15 HA VAL 15 4.165 0.889 0.889 87 HB VAL 15 HB VAL 15 5.693 -1.709 -1.709 88 1HG1 VAL 15 1HG1 VAL 15 6.750 1.010 1.010 89 2HG1 VAL 15 2HG1 VAL 15 7.249 0.168 0.168 90 3HG1 VAL 15 3HG1 VAL 15 7.596 -0.553 -0.553 91 1HG2 VAL 15 3HG2 VAL 15 3.922 -0.670 -0.670 92 2HG2 VAL 15 1HG2 VAL 15 5.258 -1.771 -1.771 93 3HG2 VAL 15 2HG2 VAL 15 5.459 -0.013 -0.013 94 H GLU 16 H GLU 16 4.612 -1.476 -1.476 95 HA GLU 16 HA GLU 16 6.463 0.196 0.196 96 1HB GLU 16 1HB GLU 16 5.772 -2.493 -2.493 97 2HB GLU 16 2HB GLU 16 5.054 -1.868 -1.868 98 1HG GLU 16 1HG GLU 16 7.089 -1.463 -1.463 99 2HG GLU 16 2HG GLU 16 7.791 -0.837 -0.837 100 H ILE 17 H ILE 17 3.012 0.034 0.034 101 HA ILE 17 HA ILE 17 2.544 1.367 1.367 102 HB ILE 17 HB ILE 17 1.137 -0.507 -0.507 103 1HG1 ILE 17 1HG1 ILE 17 0.868 0.178 0.178 104 2HG1 ILE 17 2HG1 ILE 17 -0.700 -0.001 -0.001 105 1HG2 ILE 17 2HG2 ILE 17 0.670 1.255 1.255 106 2HG2 ILE 17 3HG2 ILE 17 -0.412 2.010 2.010 107 3HG2 ILE 17 1HG2 ILE 17 -0.718 0.346 0.346 108 1HD1 ILE 17 1HD1 ILE 17 0.192 2.704 2.704 109 2HD1 ILE 17 2HD1 ILE 17 0.409 2.286 2.286 110 3HD1 ILE 17 3HD1 ILE 17 -1.192 2.123 2.123 111 H CYS 18 H CYS 18 2.556 1.956 1.956 112 HA CYS 18 HA CYS 18 2.700 4.782 4.782 113 1HB CYS 18 1HB CYS 18 0.239 3.945 3.945 114 2HB CYS 18 2HB CYS 18 0.762 3.974 3.974 115 HA PRO 19 HA PRO 19 5.466 3.286 3.286 116 1HB PRO 19 1HB PRO 19 7.775 4.381 4.381 117 2HB PRO 19 2HB PRO 19 7.268 2.742 2.742 118 1HG PRO 19 1HG PRO 19 7.186 5.129 5.129 119 2HG PRO 19 2HG PRO 19 7.094 3.438 3.438 120 1HD PRO 19 1HD PRO 19 4.915 5.299 5.299 121 2HD PRO 19 2HD PRO 19 4.808 3.583 3.583 122 H ASP 20 H ASP 20 4.046 6.042 6.042 123 HA ASP 20 HA ASP 20 5.622 7.633 7.633 124 1HB ASP 20 1HB ASP 20 4.517 8.315 8.315 125 2HB ASP 20 2HB ASP 20 3.123 8.645 8.645 126 H VAL 21 H VAL 21 2.824 5.603 5.603 127 HA VAL 21 HA VAL 21 1.694 6.880 6.880 128 HB VAL 21 HB VAL 21 0.430 5.315 5.315 129 1HG1 VAL 21 1HG1 VAL 21 -0.417 4.519 4.519 130 2HG1 VAL 21 2HG1 VAL 21 -0.928 6.185 6.185 131 3HG1 VAL 21 3HG1 VAL 21 -1.661 5.304 5.304 132 1HG2 VAL 21 2HG2 VAL 21 0.588 8.138 8.138 133 2HG2 VAL 21 3HG2 VAL 21 0.138 7.398 7.398 134 3HG2 VAL 21 1HG2 VAL 21 -1.080 7.577 7.577 135 H PHE 22 H PHE 22 3.139 4.030 4.030 136 HA PHE 22 HA PHE 22 3.015 2.741 2.741 137 1HB PHE 22 1HB PHE 22 2.591 1.332 1.332 138 2HB PHE 22 2HB PHE 22 2.362 0.628 0.628 139 HD1 PHE 22 2HD PHE 22 0.526 1.779 1.779 140 HD2 PHE 22 1HD PHE 22 0.749 2.138 2.138 141 HE1 PHE 22 2HE PHE 22 -1.905 2.399 2.399 142 HE2 PHE 22 1HE PHE 22 -1.682 2.758 2.758 143 HZ PHE 22 HZ PHE 22 -2.980 2.881 2.881 144 H GLU 23 H GLU 23 5.044 2.198 2.198 145 HA GLU 23 HA GLU 23 6.895 1.389 1.389 146 1HB GLU 23 1HB GLU 23 7.731 3.544 3.544 147 2HB GLU 23 2HB GLU 23 7.185 3.722 3.722 148 1HG GLU 23 1HG GLU 23 8.995 2.323 2.323 149 2HG GLU 23 2HG GLU 23 9.446 1.830 1.830 150 H MET 24 H MET 24 8.497 -0.136 -0.136 151 HA MET 24 HA MET 24 7.673 -1.857 -1.857 152 1HB MET 24 1HB MET 24 10.625 -1.583 -1.583 153 2HB MET 24 2HB MET 24 9.659 -3.043 -3.043 154 1HG MET 24 1HG MET 24 8.396 -1.942 -1.942 155 2HG MET 24 2HG MET 24 9.917 -1.092 -1.092 156 1HE MET 24 3HE MET 24 8.171 -4.185 -4.185 157 2HE MET 24 1HE MET 24 8.540 -5.107 -5.107 158 3HE MET 24 2HE MET 24 9.432 -5.440 -5.440 159 H ASN 25 H ASN 25 8.541 -2.402 -2.402 160 HA ASN 25 HA ASN 25 8.931 -0.138 -0.138 161 1HB ASN 25 1HB ASN 25 9.116 -1.699 -1.699 162 2HB ASN 25 2HB ASN 25 7.959 -2.390 -2.390 163 1HD2 ASN 25 1HD2 ASN 25 10.075 -3.371 -3.371 164 2HD2 ASN 25 2HD2 ASN 25 10.885 -4.667 -4.667 165 H GLU 26 H GLU 26 11.012 -1.302 -1.302 166 HA GLU 26 HA GLU 26 13.257 -0.165 -0.165 167 1HB GLU 26 1HB GLU 26 12.486 -0.654 -0.654 168 2HB GLU 26 2HB GLU 26 13.697 -1.901 -1.901 169 1HG GLU 26 1HG GLU 26 14.820 0.431 0.431 170 2HG GLU 26 2HG GLU 26 14.059 0.986 0.986 171 H GLU 27 H GLU 27 12.420 -3.562 -3.562 172 HA GLU 27 HA GLU 27 14.763 -4.583 -4.583 173 1HB GLU 27 1HB GLU 27 12.229 -6.019 -6.019 174 2HB GLU 27 2HB GLU 27 13.746 -6.802 -6.802 175 1HG GLU 27 1HG GLU 27 14.130 -4.615 -4.615 176 2HG GLU 27 2HG GLU 27 12.987 -5.805 -5.805 177 H GLY 28 H GLY 28 11.975 -3.277 -3.277 178 1HA GLY 28 1HA GLY 28 11.082 -3.303 -3.303 179 2HA GLY 28 2HA GLY 28 12.550 -4.085 -4.085 180 H ASP 29 H ASP 29 10.366 -5.423 -5.423 181 HA ASP 29 HA ASP 29 9.659 -7.488 -7.488 182 1HB ASP 29 1HB ASP 29 11.067 -7.744 -7.744 183 2HB ASP 29 2HB ASP 29 9.447 -8.306 -8.306 184 H LYS 30 H LYS 30 8.598 -4.856 -4.856 185 HA LYS 30 HA LYS 30 5.880 -5.936 -5.936 186 1HB LYS 30 1HB LYS 30 6.639 -6.025 -6.025 187 2HB LYS 30 2HB LYS 30 7.329 -4.418 -4.418 188 1HG LYS 30 1HG LYS 30 5.350 -3.663 -3.663 189 2HG LYS 30 2HG LYS 30 4.684 -3.966 -3.966 190 1HD LYS 30 1HD LYS 30 4.362 -6.439 -6.439 191 2HD LYS 30 2HD LYS 30 4.563 -5.740 -5.740 192 1HE LYS 30 1HE LYS 30 2.709 -4.134 -4.134 193 2HE LYS 30 2HE LYS 30 2.177 -5.828 -5.828 194 1HZ LYS 30 1HZ LYS 30 1.520 -4.178 -4.178 195 2HZ LYS 30 2HZ LYS 30 2.047 -5.647 -5.647 196 H ALA 31 H ALA 31 4.534 -4.753 -4.753 197 HA ALA 31 HA ALA 31 5.483 -2.335 -2.335 198 1HB ALA 31 2HB ALA 31 3.931 -4.205 -4.205 199 2HB ALA 31 3HB ALA 31 2.633 -3.338 -3.338 200 3HB ALA 31 1HB ALA 31 3.579 -2.508 -2.508 201 H VAL 32 H VAL 32 5.735 -0.618 -0.618 202 HA VAL 32 HA VAL 32 3.627 -0.123 -0.123 203 HB VAL 32 HB VAL 32 6.357 1.081 1.081 204 1HG1 VAL 32 1HG1 VAL 32 4.261 1.788 1.788 205 2HG1 VAL 32 2HG1 VAL 32 5.974 2.259 2.259 206 3HG1 VAL 32 3HG1 VAL 32 4.971 2.855 2.855 207 1HG2 VAL 32 2HG2 VAL 32 5.472 -1.238 -1.238 208 2HG2 VAL 32 3HG2 VAL 32 7.112 -0.549 -0.549 209 3HG2 VAL 32 1HG2 VAL 32 5.999 -0.040 -0.040 210 H VAL 33 H VAL 33 2.922 2.256 2.256 211 HA VAL 33 HA VAL 33 2.234 3.187 3.187 212 HB VAL 33 HB VAL 33 1.099 3.880 3.880 213 1HG1 VAL 33 2HG1 VAL 33 0.947 5.494 5.494 214 2HG1 VAL 33 3HG1 VAL 33 -0.375 4.384 4.384 215 3HG1 VAL 33 1HG1 VAL 33 -0.422 5.266 5.266 216 1HG2 VAL 33 1HG2 VAL 33 0.793 1.485 1.485 217 2HG2 VAL 33 2HG2 VAL 33 -0.682 2.388 2.388 218 3HG2 VAL 33 3HG2 VAL 33 -0.217 2.189 2.189 219 H ILE 34 H ILE 34 2.637 5.331 5.331 220 HA ILE 34 HA ILE 34 4.555 6.755 6.755 221 HB ILE 34 HB ILE 34 4.687 7.433 7.433 222 1HG1 ILE 34 1HG1 ILE 34 5.356 4.559 4.559 223 2HG1 ILE 34 2HG1 ILE 34 3.934 5.072 5.072 224 1HG2 ILE 34 3HG2 ILE 34 6.369 8.044 8.044 225 2HG2 ILE 34 1HG2 ILE 34 6.720 6.324 6.324 226 3HG2 ILE 34 2HG2 ILE 34 7.075 7.047 7.047 227 1HD1 ILE 34 1HD1 ILE 34 5.472 6.117 6.117 228 2HD1 ILE 34 2HD1 ILE 34 6.864 5.563 5.563 229 3HD1 ILE 34 3HD1 ILE 34 5.786 4.375 4.375 230 H ASN 35 H ASN 35 1.633 6.846 6.846 231 HA ASN 35 HA ASN 35 1.359 9.646 9.646 232 1HB ASN 35 1HB ASN 35 1.404 8.794 8.794 233 2HB ASN 35 2HB ASN 35 -0.273 8.404 8.404 234 1HD2 ASN 35 1HD2 ASN 35 1.688 10.668 10.668 235 2HD2 ASN 35 2HD2 ASN 35 0.770 12.116 12.116 236 HA PRO 36 HA PRO 36 -1.900 7.243 7.243 237 1HB PRO 36 1HB PRO 36 -1.652 8.381 8.381 238 2HB PRO 36 2HB PRO 36 -0.820 6.911 6.911 239 1HG PRO 36 1HG PRO 36 0.271 9.642 9.642 240 2HG PRO 36 2HG PRO 36 1.130 8.116 8.116 241 1HD PRO 36 1HD PRO 36 0.931 10.032 10.032 242 2HD PRO 36 2HD PRO 36 1.690 8.455 8.455 243 H ASP 37 H ASP 37 -2.228 9.406 9.406 244 HA ASP 37 HA ASP 37 -4.745 10.155 10.155 245 1HB ASP 37 1HB ASP 37 -3.772 11.465 11.465 246 2HB ASP 37 2HB ASP 37 -2.657 12.252 12.252 247 H SER 38 H SER 38 -3.322 9.313 9.313 248 HA SER 38 HA SER 38 -2.430 11.424 11.424 249 1HB SER 38 1HB SER 38 -2.480 8.643 8.643 250 2HB SER 38 2HB SER 38 -3.574 9.115 9.115 251 HG SER 38 HG SER 38 -1.761 9.391 9.391 252 H ASP 39 H ASP 39 -3.832 11.004 11.004 253 HA ASP 39 HA ASP 39 -6.590 11.277 11.277 254 1HB ASP 39 1HB ASP 39 -5.784 13.525 13.525 255 2HB ASP 39 2HB ASP 39 -5.080 13.833 13.833 256 H LEU 40 H LEU 40 -4.601 9.817 9.817 257 HA LEU 40 HA LEU 40 -5.166 10.931 10.931 258 1HB LEU 40 1HB LEU 40 -3.163 9.216 9.216 259 2HB LEU 40 2HB LEU 40 -2.944 10.922 10.922 260 HG LEU 40 HG LEU 40 -2.604 10.317 10.317 261 1HD1 LEU 40 1HD1 LEU 40 -2.960 7.578 7.578 262 2HD1 LEU 40 2HD1 LEU 40 -1.780 7.811 7.811 263 3HD1 LEU 40 3HD1 LEU 40 -3.486 8.250 8.250 264 1HD2 LEU 40 2HD2 LEU 40 -0.687 9.264 9.264 265 2HD2 LEU 40 3HD2 LEU 40 -0.705 10.874 10.874 266 3HD2 LEU 40 1HD2 LEU 40 -0.284 9.441 9.441 267 H ASP 41 H ASP 41 -4.813 8.784 8.784 268 HA ASP 41 HA ASP 41 -6.991 7.103 7.103 269 1HB ASP 41 1HB ASP 41 -6.938 8.312 8.312 270 2HB ASP 41 2HB ASP 41 -5.670 7.198 7.198 271 H CYS 42 H CYS 42 -3.538 7.195 7.195 272 HA CYS 42 HA CYS 42 -2.782 4.786 4.786 273 1HB CYS 42 1HB CYS 42 -0.762 5.223 5.223 274 2HB CYS 42 2HB CYS 42 -1.477 6.811 6.811 275 H VAL 43 H VAL 43 -4.471 5.595 5.595 276 HA VAL 43 HA VAL 43 -3.958 3.223 3.223 277 HB VAL 43 HB VAL 43 -6.410 4.986 4.986 278 1HG1 VAL 43 3HG1 VAL 43 -5.067 3.184 3.184 279 2HG1 VAL 43 1HG1 VAL 43 -6.411 4.297 4.297 280 3HG1 VAL 43 2HG1 VAL 43 -6.651 2.934 2.934 281 1HG2 VAL 43 2HG2 VAL 43 -3.591 5.444 5.444 282 2HG2 VAL 43 3HG2 VAL 43 -4.809 6.599 6.599 283 3HG2 VAL 43 1HG2 VAL 43 -4.908 5.981 5.981 284 H GLU 44 H GLU 44 -6.711 4.213 4.213 285 HA GLU 44 HA GLU 44 -8.119 1.879 1.879 286 1HB GLU 44 1HB GLU 44 -7.996 4.160 4.160 287 2HB GLU 44 2HB GLU 44 -8.612 2.686 2.686 288 1HG GLU 44 1HG GLU 44 -10.171 2.495 2.495 289 2HG GLU 44 2HG GLU 44 -9.689 4.132 4.132 290 H GLU 45 H GLU 45 -5.415 2.756 2.756 291 HA GLU 45 HA GLU 45 -5.584 0.212 0.212 292 1HB GLU 45 1HB GLU 45 -3.595 1.033 1.033 293 2HB GLU 45 2HB GLU 45 -4.945 2.150 2.150 294 1HG GLU 45 1HG GLU 45 -3.851 3.358 3.358 295 2HG GLU 45 2HG GLU 45 -2.435 2.367 2.367 296 H ALA 46 H ALA 46 -4.577 1.115 1.115 297 HA ALA 46 HA ALA 46 -2.206 -0.608 -0.608 298 1HB ALA 46 1HB ALA 46 -3.238 1.494 1.494 299 2HB ALA 46 2HB ALA 46 -1.860 0.425 0.425 300 3HB ALA 46 3HB ALA 46 -1.774 1.567 1.567 301 H ILE 47 H ILE 47 -5.579 -0.417 -0.417 302 HA ILE 47 HA ILE 47 -5.292 -2.617 -2.617 303 HB ILE 47 HB ILE 47 -7.318 -0.517 -0.517 304 1HG1 ILE 47 1HG1 ILE 47 -7.221 -1.426 -1.426 305 2HG1 ILE 47 2HG1 ILE 47 -5.553 -1.281 -1.281 306 1HG2 ILE 47 3HG2 ILE 47 -8.008 -3.309 -3.309 307 2HG2 ILE 47 1HG2 ILE 47 -8.992 -1.889 -1.889 308 3HG2 ILE 47 2HG2 ILE 47 -8.766 -2.333 -2.333 309 1HD1 ILE 47 1HD1 ILE 47 -6.691 1.014 1.014 310 2HD1 ILE 47 2HD1 ILE 47 -7.630 0.791 0.791 311 3HD1 ILE 47 3HD1 ILE 47 -5.856 0.917 0.917 312 H ASP 48 H ASP 48 -6.702 -1.719 -1.719 313 HA ASP 48 HA ASP 48 -8.072 -4.100 -4.100 314 1HB ASP 48 1HB ASP 48 -7.617 -1.706 -1.706 315 2HB ASP 48 2HB ASP 48 -6.955 -2.948 -2.948 316 H SER 49 H SER 49 -4.684 -3.072 -3.072 317 HA SER 49 HA SER 49 -4.024 -5.373 -5.373 318 1HB SER 49 1HB SER 49 -2.401 -3.110 -3.110 319 2HB SER 49 2HB SER 49 -1.631 -4.459 -4.459 320 HG SER 49 HG SER 49 -2.251 -2.393 -2.393 321 H CYS 50 H CYS 50 -4.663 -4.788 -4.788 322 HA CYS 50 HA CYS 50 -2.608 -6.538 -6.538 323 1HB CYS 50 1HB CYS 50 -3.207 -4.590 -4.590 324 2HB CYS 50 2HB CYS 50 -4.887 -5.085 -5.085 325 HA PRO 51 HA PRO 51 -5.415 -9.871 -9.871 326 1HB PRO 51 1HB PRO 51 -3.640 -11.903 -11.903 327 2HB PRO 51 2HB PRO 51 -3.834 -11.116 -11.116 328 1HG PRO 51 1HG PRO 51 -1.651 -10.814 -10.814 329 2HG PRO 51 2HG PRO 51 -1.663 -10.385 -10.385 330 1HD PRO 51 1HD PRO 51 -1.910 -8.592 -8.592 331 2HD PRO 51 2HD PRO 51 -2.039 -8.179 -8.179 332 H ALA 52 H ALA 52 -3.399 -9.496 -9.496 333 HA ALA 52 HA ALA 52 -5.067 -11.309 -11.309 334 1HB ALA 52 3HB ALA 52 -2.477 -9.899 -9.899 335 2HB ALA 52 1HB ALA 52 -3.423 -10.066 -10.066 336 3HB ALA 52 2HB ALA 52 -2.976 -11.512 -11.512 337 H GLU 53 H GLU 53 -5.303 -8.126 -8.126 338 HA GLU 53 HA GLU 53 -6.232 -6.273 -6.273 339 1HB GLU 53 1HB GLU 53 -8.236 -8.502 -8.502 340 2HB GLU 53 2HB GLU 53 -8.721 -6.955 -6.955 341 1HG GLU 53 1HG GLU 53 -7.388 -6.542 -6.542 342 2HG GLU 53 2HG GLU 53 -8.665 -7.726 -7.726 343 H ALA 54 H ALA 54 -4.434 -7.025 -7.025 344 HA ALA 54 HA ALA 54 -5.778 -7.242 -7.242 345 1HB ALA 54 3HB ALA 54 -3.204 -7.782 -7.782 346 2HB ALA 54 1HB ALA 54 -2.981 -6.514 -6.514 347 3HB ALA 54 2HB ALA 54 -3.770 -8.049 -8.049 348 H ILE 55 H ILE 55 -4.735 -4.725 -4.725 349 HA ILE 55 HA ILE 55 -4.657 -2.738 -2.738 350 HB ILE 55 HB ILE 55 -3.892 -2.897 -2.897 351 1HG1 ILE 55 1HG1 ILE 55 -2.620 -1.469 -1.469 352 2HG1 ILE 55 2HG1 ILE 55 -2.299 -3.162 -3.162 353 1HG2 ILE 55 2HG2 ILE 55 -5.509 -1.030 -1.030 354 2HG2 ILE 55 3HG2 ILE 55 -4.559 -0.248 -0.248 355 3HG2 ILE 55 1HG2 ILE 55 -3.841 -0.495 -0.495 356 1HD1 ILE 55 3HD1 ILE 55 -1.656 -2.269 -2.269 357 2HD1 ILE 55 1HD1 ILE 55 -1.745 -0.637 -0.637 358 3HD1 ILE 55 2HD1 ILE 55 -0.564 -1.812 -1.812 359 H VAL 56 H VAL 56 -6.220 -1.162 -1.162 360 HA VAL 56 HA VAL 56 -8.539 -1.177 -1.177 361 HB VAL 56 HB VAL 56 -9.979 -1.196 -1.196 362 1HG1 VAL 56 1HG1 VAL 56 -9.931 -3.038 -3.038 363 2HG1 VAL 56 2HG1 VAL 56 -8.518 -3.738 -3.738 364 3HG1 VAL 56 3HG1 VAL 56 -10.086 -3.652 -3.652 365 1HG2 VAL 56 3HG2 VAL 56 -7.409 -2.319 -2.319 366 2HG2 VAL 56 1HG2 VAL 56 -8.309 -0.882 -0.882 367 3HG2 VAL 56 2HG2 VAL 56 -9.012 -2.505 -2.505 368 H ARG 57 H ARG 57 -10.155 0.629 0.629 369 HA ARG 57 HA ARG 57 -8.360 2.864 2.864 370 1HB ARG 57 1HB ARG 57 -9.445 3.099 3.099 371 2HB ARG 57 2HB ARG 57 -11.024 2.795 2.795 372 1HG ARG 57 1HG ARG 57 -11.269 4.998 4.998 373 2HG ARG 57 2HG ARG 57 -9.838 4.961 4.961 374 1HD ARG 57 1HD ARG 57 -8.425 5.714 5.714 375 2HD ARG 57 2HD ARG 57 -9.430 5.049 5.049 376 HE ARG 57 HE ARG 57 -10.723 7.012 7.012 377 1HH1 ARG 57 2HH2 ARG 57 -8.674 6.955 6.955 378 2HH1 ARG 57 1HH2 ARG 57 -9.041 8.588 8.588 379 1HH2 ARG 57 2HH1 ARG 57 -11.191 9.129 9.129 380 2HH2 ARG 57 1HH1 ARG 57 -10.533 9.870 9.870 381 H SER 58 H SER 58 -9.125 1.381 1.381 382 HA SER 58 HA SER 58 -11.454 1.605 1.605 383 1HB SER 58 1HB SER 58 -8.945 0.986 0.986 384 2HB SER 58 2HB SER 58 -9.167 2.493 2.493 385 HG SER 58 HG SER 58 -10.815 0.121 0.121
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:55:08 PM GMT (wattos1)