NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19188 | 2ee7 | 10147 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 21.723 18.701 -1.871 2 HA2 GLY 1 1HA GLY 1 24.080 18.312 -0.489 3 HA3 GLY 1 2HA GLY 1 22.543 18.686 0.276 4 H SER 2 H SER 2 21.730 17.231 1.634 5 HA SER 2 HA SER 2 21.936 14.424 1.261 6 HB2 SER 2 1HB SER 2 24.275 15.032 2.040 7 HB3 SER 2 2HB SER 2 23.552 15.487 3.583 8 HG SER 2 HG SER 2 24.358 13.142 2.986 9 H SER 3 H SER 3 21.025 13.214 3.133 10 HA SER 3 HA SER 3 18.654 14.473 4.041 11 HB2 SER 3 1HB SER 3 19.897 11.885 5.003 12 HB3 SER 3 2HB SER 3 18.221 12.385 5.231 13 HG SER 3 HG SER 3 19.061 10.970 3.287 14 H GLY 4 H GLY 4 19.106 16.257 5.296 15 HA2 GLY 4 1HA GLY 4 20.284 15.653 7.936 16 HA3 GLY 4 2HA GLY 4 20.699 17.123 7.066 17 H SER 5 H SER 5 19.348 16.589 9.705 18 HA SER 5 HA SER 5 17.349 18.644 9.441 19 HB2 SER 5 1HB SER 5 16.596 15.785 9.866 20 HB3 SER 5 2HB SER 5 15.690 17.026 10.731 21 HG SER 5 HG SER 5 15.684 18.000 8.428 22 H SER 6 H SER 6 17.596 19.918 11.142 23 HA SER 6 HA SER 6 18.957 18.909 13.510 24 HB2 SER 6 1HB SER 6 18.140 21.717 12.728 25 HB3 SER 6 2HB SER 6 19.058 21.300 14.174 26 HG SER 6 HG SER 6 20.077 21.871 11.898 27 H GLY 7 H GLY 7 17.987 18.461 15.385 28 HA2 GLY 7 1HA GLY 7 16.402 18.424 17.060 29 HA3 GLY 7 2HA GLY 7 15.606 19.775 16.267 30 H MET 8 H MET 8 14.403 17.434 17.503 31 HA MET 8 HA MET 8 13.360 15.909 15.249 32 HB2 MET 8 1HB MET 8 13.241 15.629 18.226 33 HB3 MET 8 2HB MET 8 12.033 14.818 17.238 34 HG2 MET 8 1HG MET 8 13.773 13.624 16.046 35 HG3 MET 8 2HG MET 8 15.010 14.474 16.970 36 HE1 MET 8 3HE MET 8 15.071 14.522 19.455 37 HE2 MET 8 1HE MET 8 14.843 13.085 20.452 38 HE3 MET 8 2HE MET 8 16.093 13.105 19.207 39 H ALA 9 H ALA 9 11.578 16.500 14.218 40 HA ALA 9 HA ALA 9 9.948 18.659 15.155 41 HB1 ALA 9 3HB ALA 9 10.323 18.493 12.807 42 HB2 ALA 9 1HB ALA 9 9.712 16.839 12.767 43 HB3 ALA 9 2HB ALA 9 8.612 18.178 13.094 44 H SER 10 H SER 10 8.453 18.424 16.675 45 HA SER 10 HA SER 10 7.404 15.947 17.516 46 HB2 SER 10 1HB SER 10 5.951 17.238 18.962 47 HB3 SER 10 2HB SER 10 7.544 17.996 18.939 48 HG SER 10 HG SER 10 6.520 19.726 18.356 49 H SER 11 H SER 11 6.065 18.514 15.474 50 HA SER 11 HA SER 11 3.825 16.732 14.793 51 HB2 SER 11 1HB SER 11 2.750 18.846 13.918 52 HB3 SER 11 2HB SER 11 3.011 18.812 15.661 53 HG SER 11 HG SER 11 4.887 20.073 15.326 54 H VAL 12 H VAL 12 2.984 17.217 12.473 55 HA VAL 12 HA VAL 12 5.250 16.798 10.682 56 HB VAL 12 HB VAL 12 2.287 16.484 10.179 57 HG11 VAL 12 1HG1 VAL 12 4.082 16.967 8.263 58 HG12 VAL 12 2HG1 VAL 12 4.309 15.225 8.422 59 HG13 VAL 12 3HG1 VAL 12 2.716 15.876 8.036 60 HG21 VAL 12 3HG2 VAL 12 2.611 14.652 11.448 61 HG22 VAL 12 1HG2 VAL 12 3.361 14.003 9.990 62 HG23 VAL 12 2HG2 VAL 12 4.364 14.705 11.259 63 H ASP 13 H ASP 13 5.936 18.257 9.251 64 HA ASP 13 HA ASP 13 4.506 20.797 9.067 65 HB2 ASP 13 1HB ASP 13 7.288 19.970 8.225 66 HB3 ASP 13 2HB ASP 13 6.610 21.566 7.917 67 H GLU 14 H GLU 14 4.781 21.881 6.800 68 HA GLU 14 HA GLU 14 3.217 20.371 4.984 69 HB2 GLU 14 1HB GLU 14 3.634 22.301 3.430 70 HB3 GLU 14 2HB GLU 14 2.957 22.742 4.991 71 HG2 GLU 14 1HG GLU 14 5.143 23.443 5.771 72 HG3 GLU 14 2HG GLU 14 5.864 22.947 4.240 73 H GLU 15 H GLU 15 6.626 20.815 5.395 74 HA GLU 15 HA GLU 15 7.464 20.099 2.790 75 HB2 GLU 15 1HB GLU 15 9.661 19.690 3.833 76 HB3 GLU 15 2HB GLU 15 8.970 21.230 4.323 77 HG2 GLU 15 1HG GLU 15 8.296 20.292 6.446 78 HG3 GLU 15 2HG GLU 15 8.883 18.704 5.957 79 H ALA 16 H ALA 16 6.902 18.224 5.735 80 HA ALA 16 HA ALA 16 7.898 15.771 5.065 81 HB1 ALA 16 3HB ALA 16 6.021 14.812 6.431 82 HB2 ALA 16 1HB ALA 16 6.947 16.091 7.217 83 HB3 ALA 16 2HB ALA 16 5.359 16.443 6.534 84 H LEU 17 H LEU 17 4.764 17.120 4.093 85 HA LEU 17 HA LEU 17 3.670 14.936 2.812 86 HB2 LEU 17 1HB LEU 17 3.506 17.789 1.855 87 HB3 LEU 17 2HB LEU 17 2.362 16.493 1.511 88 HG LEU 17 HG LEU 17 2.867 17.585 4.275 89 HD11 LEU 17 1HD1 LEU 17 0.801 18.351 2.224 90 HD12 LEU 17 2HD1 LEU 17 1.985 19.395 3.010 91 HD13 LEU 17 3HD1 LEU 17 0.655 18.713 3.945 92 HD21 LEU 17 3HD2 LEU 17 0.344 16.529 4.173 93 HD22 LEU 17 1HD2 LEU 17 1.771 15.711 4.811 94 HD23 LEU 17 2HD2 LEU 17 1.259 15.423 3.148 95 H HIS 18 H HIS 18 5.574 17.521 1.248 96 HA HIS 18 HA HIS 18 5.753 16.465 -1.281 97 HB2 HIS 18 1HB HIS 18 6.685 18.690 -0.291 98 HB3 HIS 18 2HB HIS 18 8.157 17.759 -0.033 99 HD1 HIS 18 1HD HIS 18 8.793 19.853 -1.835 100 HD2 HIS 18 2HD HIS 18 6.809 16.489 -3.253 101 HE1 HIS 18 1HE HIS 18 9.197 19.830 -4.317 102 HE2 HIS 18 2HE HIS 18 7.917 17.833 -5.165 103 H GLN 19 H GLN 19 8.081 15.946 1.370 104 HA GLN 19 HA GLN 19 9.831 14.238 0.123 105 HB2 GLN 19 1HB GLN 19 8.856 14.213 2.980 106 HB3 GLN 19 2HB GLN 19 10.206 13.242 2.408 107 HG2 GLN 19 1HG GLN 19 10.070 16.245 2.265 108 HG3 GLN 19 2HG GLN 19 10.897 15.328 3.523 109 HE21 GLN 19 1HE2 GLN 19 10.853 16.092 0.104 110 HE22 GLN 19 2HE2 GLN 19 12.507 15.700 -0.200 111 H LEU 20 H LEU 20 6.678 13.494 1.500 112 HA LEU 20 HA LEU 20 6.934 10.662 1.109 113 HB2 LEU 20 1HB LEU 20 5.493 11.193 2.838 114 HB3 LEU 20 2HB LEU 20 4.740 12.510 1.941 115 HG LEU 20 HG LEU 20 3.778 10.628 0.448 116 HD11 LEU 20 1HD1 LEU 20 4.372 9.056 2.950 117 HD12 LEU 20 2HD1 LEU 20 5.189 8.846 1.401 118 HD13 LEU 20 3HD1 LEU 20 3.466 8.500 1.542 119 HD21 LEU 20 3HD2 LEU 20 2.925 11.775 2.968 120 HD22 LEU 20 1HD2 LEU 20 2.196 10.195 2.680 121 HD23 LEU 20 2HD2 LEU 20 2.007 11.484 1.491 122 H TYR 21 H TYR 21 5.739 13.365 -0.733 123 HA TYR 21 HA TYR 21 4.245 11.835 -2.623 124 HB2 TYR 21 1HB TYR 21 5.302 14.657 -2.615 125 HB3 TYR 21 2HB TYR 21 4.447 13.986 -3.999 126 HD1 TYR 21 1HD TYR 21 3.227 12.602 -0.978 127 HD2 TYR 21 2HD TYR 21 2.971 16.057 -3.447 128 HE1 TYR 21 1HE TYR 21 1.079 13.184 0.070 129 HE2 TYR 21 2HE TYR 21 0.823 16.650 -2.405 130 HH TYR 21 HH TYR 21 -0.491 16.235 -0.531 131 H LEU 22 H LEU 22 7.562 12.945 -2.394 132 HA LEU 22 HA LEU 22 8.233 12.209 -5.091 133 HB2 LEU 22 1HB LEU 22 10.082 12.773 -2.780 134 HB3 LEU 22 2HB LEU 22 10.496 12.776 -4.493 135 HG LEU 22 HG LEU 22 8.461 14.695 -3.421 136 HD11 LEU 22 1HD1 LEU 22 11.293 15.552 -3.638 137 HD12 LEU 22 2HD1 LEU 22 10.812 14.649 -2.202 138 HD13 LEU 22 3HD1 LEU 22 9.998 16.160 -2.606 139 HD21 LEU 22 3HD2 LEU 22 8.506 15.467 -5.500 140 HD22 LEU 22 1HD2 LEU 22 9.582 14.140 -5.940 141 HD23 LEU 22 2HD2 LEU 22 10.255 15.686 -5.421 142 H TRP 23 H TRP 23 8.755 10.837 -1.867 143 HA TRP 23 HA TRP 23 10.411 8.735 -2.403 144 HB2 TRP 23 1HB TRP 23 9.847 8.914 -0.163 145 HB3 TRP 23 2HB TRP 23 8.126 9.077 -0.502 146 HD1 TRP 23 HD TRP 23 10.868 6.344 -0.475 147 HE1 TRP 23 1HE TRP 23 9.738 4.089 0.039 148 HE3 TRP 23 3HE TRP 23 5.989 7.871 -0.433 149 HZ2 TRP 23 2HZ TRP 23 7.125 3.089 0.412 150 HZ3 TRP 23 3HZ TRP 23 4.235 6.203 0.010 151 HH2 TRP 23 HH TRP 23 4.793 3.862 0.422 152 H VAL 24 H VAL 24 6.879 8.775 -2.812 153 HA VAL 24 HA VAL 24 6.536 6.151 -3.671 154 HB VAL 24 HB VAL 24 4.995 8.636 -4.416 155 HG11 VAL 24 1HG1 VAL 24 3.399 6.315 -4.677 156 HG12 VAL 24 2HG1 VAL 24 3.879 7.459 -5.932 157 HG13 VAL 24 3HG1 VAL 24 4.879 6.045 -5.597 158 HG21 VAL 24 3HG2 VAL 24 3.358 7.194 -2.849 159 HG22 VAL 24 1HG2 VAL 24 4.917 6.695 -2.193 160 HG23 VAL 24 2HG2 VAL 24 4.479 8.403 -2.225 161 H ASP 25 H ASP 25 6.759 9.052 -5.740 162 HA ASP 25 HA ASP 25 6.815 7.855 -8.201 163 HB2 ASP 25 1HB ASP 25 6.811 10.314 -7.779 164 HB3 ASP 25 2HB ASP 25 8.528 10.215 -7.399 165 H ASN 26 H ASN 26 9.582 8.420 -6.049 166 HA ASN 26 HA ASN 26 11.662 7.584 -7.616 167 HB2 ASN 26 1HB ASN 26 11.948 8.442 -5.334 168 HB3 ASN 26 2HB ASN 26 11.259 6.958 -4.682 169 HD21 ASN 26 1HD2 ASN 26 12.403 4.931 -5.405 170 HD22 ASN 26 2HD2 ASN 26 14.130 4.983 -5.427 171 H ILE 27 H ILE 27 9.561 5.508 -5.633 172 HA ILE 27 HA ILE 27 10.785 3.073 -6.377 173 HB ILE 27 HB ILE 27 7.972 3.570 -5.394 174 HG12 ILE 27 1HG1 ILE 27 10.309 2.540 -3.797 175 HG13 ILE 27 2HG1 ILE 27 9.986 4.264 -3.950 176 HG21 ILE 27 1HG2 ILE 27 7.759 1.273 -4.984 177 HG22 ILE 27 2HG2 ILE 27 8.456 1.373 -6.600 178 HG23 ILE 27 3HG2 ILE 27 9.482 0.982 -5.219 179 HD11 ILE 27 3HD1 ILE 27 9.070 2.893 -1.924 180 HD12 ILE 27 1HD1 ILE 27 8.096 4.160 -2.671 181 HD13 ILE 27 2HD1 ILE 27 7.791 2.467 -3.062 182 HA PRO 28 HA PRO 28 9.238 2.652 -10.503 183 HB2 PRO 28 1HB PRO 28 9.903 0.042 -10.849 184 HB3 PRO 28 2HB PRO 28 11.092 1.350 -10.889 185 HG2 PRO 28 1HG PRO 28 10.406 -0.519 -8.653 186 HG3 PRO 28 2HG PRO 28 12.000 0.027 -9.206 187 HD2 PRO 28 1HD PRO 28 10.768 1.085 -7.039 188 HD3 PRO 28 2HD PRO 28 11.839 2.036 -8.088 189 H LEU 29 H LEU 29 7.005 2.862 -10.134 190 HA LEU 29 HA LEU 29 5.571 0.364 -9.529 191 HB2 LEU 29 1HB LEU 29 4.900 3.247 -9.103 192 HB3 LEU 29 2HB LEU 29 3.617 2.046 -9.221 193 HG LEU 29 HG LEU 29 5.842 1.701 -7.246 194 HD11 LEU 29 1HD1 LEU 29 3.351 2.960 -6.300 195 HD12 LEU 29 2HD1 LEU 29 4.444 3.996 -7.218 196 HD13 LEU 29 3HD1 LEU 29 5.016 3.182 -5.762 197 HD21 LEU 29 3HD2 LEU 29 4.461 0.175 -6.245 198 HD22 LEU 29 1HD2 LEU 29 3.963 -0.010 -7.927 199 HD23 LEU 29 2HD2 LEU 29 2.990 0.961 -6.822 200 H SER 30 H SER 30 4.300 -0.535 -11.033 201 HA SER 30 HA SER 30 4.374 0.412 -13.710 202 HB2 SER 30 1HB SER 30 2.706 -1.468 -14.097 203 HB3 SER 30 2HB SER 30 4.250 -1.947 -13.394 204 HG SER 30 HG SER 30 3.127 -2.750 -11.824 205 H ARG 31 H ARG 31 3.501 2.591 -13.170 206 HA ARG 31 HA ARG 31 0.618 2.608 -13.642 207 HB2 ARG 31 1HB ARG 31 0.096 4.083 -11.892 208 HB3 ARG 31 2HB ARG 31 1.151 2.887 -11.151 209 HG2 ARG 31 1HG ARG 31 2.998 4.386 -11.172 210 HG3 ARG 31 2HG ARG 31 2.116 5.547 -12.167 211 HD2 ARG 31 1HD ARG 31 0.511 5.877 -10.341 212 HD3 ARG 31 2HD ARG 31 1.412 4.730 -9.350 213 HE ARG 31 HE ARG 31 3.198 6.699 -10.155 214 HH11 ARG 31 1HH1 ARG 31 0.307 6.444 -8.231 215 HH12 ARG 31 2HH1 ARG 31 0.729 7.762 -7.189 216 HH21 ARG 31 1HH2 ARG 31 3.763 8.436 -8.790 217 HH22 ARG 31 2HH2 ARG 31 2.694 8.895 -7.508 218 HA PRO 32 HA PRO 32 1.725 5.688 -16.585 219 HB2 PRO 32 1HB PRO 32 -0.696 6.876 -16.899 220 HB3 PRO 32 2HB PRO 32 -0.318 5.279 -17.556 221 HG2 PRO 32 1HG PRO 32 -1.797 5.996 -15.054 222 HG3 PRO 32 2HG PRO 32 -2.177 4.755 -16.262 223 HD2 PRO 32 1HD PRO 32 -0.980 4.175 -13.903 224 HD3 PRO 32 2HD PRO 32 -0.654 3.261 -15.390 225 H LYS 33 H LYS 33 0.747 8.183 -16.902 226 HA LYS 33 HA LYS 33 1.855 9.570 -14.595 227 HB2 LYS 33 1HB LYS 33 1.122 10.470 -17.380 228 HB3 LYS 33 2HB LYS 33 1.650 11.586 -16.127 229 HG2 LYS 33 1HG LYS 33 3.642 11.205 -17.140 230 HG3 LYS 33 2HG LYS 33 3.668 9.881 -15.972 231 HD2 LYS 33 1HD LYS 33 2.593 8.464 -17.794 232 HD3 LYS 33 2HD LYS 33 3.006 9.773 -18.904 233 HE2 LYS 33 1HE LYS 33 5.011 8.390 -17.132 234 HE3 LYS 33 2HE LYS 33 4.671 7.895 -18.789 235 HZ1 LYS 33 3HZ LYS 33 5.195 10.694 -18.595 236 HZ2 LYS 33 1HZ LYS 33 5.928 9.529 -19.579 237 HZ3 LYS 33 2HZ LYS 33 6.488 9.778 -18.002 238 H ARG 34 H ARG 34 0.496 10.063 -13.004 239 HA ARG 34 HA ARG 34 -1.725 11.767 -13.416 240 HB2 ARG 34 1HB ARG 34 -3.465 10.166 -12.522 241 HB3 ARG 34 2HB ARG 34 -2.934 9.868 -14.171 242 HG2 ARG 34 1HG ARG 34 -1.340 8.158 -13.212 243 HG3 ARG 34 2HG ARG 34 -2.211 8.342 -11.689 244 HD2 ARG 34 1HD ARG 34 -4.283 7.676 -12.769 245 HD3 ARG 34 2HD ARG 34 -3.456 7.559 -14.321 246 HE ARG 34 HE ARG 34 -2.258 5.899 -12.333 247 HH11 ARG 34 1HH1 ARG 34 -4.899 6.121 -14.590 248 HH12 ARG 34 2HH1 ARG 34 -5.076 4.405 -14.753 249 HH21 ARG 34 1HH2 ARG 34 -2.481 3.638 -12.539 250 HH22 ARG 34 2HH2 ARG 34 -3.701 2.994 -13.585 251 H ASN 35 H ASN 35 -2.670 12.489 -11.442 252 HA ASN 35 HA ASN 35 -0.993 12.923 -9.345 253 HB2 ASN 35 1HB ASN 35 -3.965 12.897 -9.594 254 HB3 ASN 35 2HB ASN 35 -3.273 13.026 -7.980 255 HD21 ASN 35 1HD2 ASN 35 -1.479 14.698 -7.821 256 HD22 ASN 35 2HD2 ASN 35 -1.782 16.212 -8.596 257 H LEU 36 H LEU 36 -0.652 12.030 -7.294 258 HA LEU 36 HA LEU 36 -0.972 9.142 -7.201 259 HB2 LEU 36 1HB LEU 36 0.580 9.194 -5.369 260 HB3 LEU 36 2HB LEU 36 1.200 10.183 -6.689 261 HG LEU 36 HG LEU 36 0.032 12.108 -5.262 262 HD11 LEU 36 1HD1 LEU 36 0.390 11.708 -2.872 263 HD12 LEU 36 2HD1 LEU 36 0.807 10.031 -3.219 264 HD13 LEU 36 3HD1 LEU 36 -0.823 10.619 -3.544 265 HD21 LEU 36 3HD2 LEU 36 2.703 10.998 -5.477 266 HD22 LEU 36 1HD2 LEU 36 2.452 11.841 -3.949 267 HD23 LEU 36 2HD2 LEU 36 2.174 12.681 -5.475 268 H SER 37 H SER 37 -2.349 11.973 -5.805 269 HA SER 37 HA SER 37 -3.454 10.660 -3.495 270 HB2 SER 37 1HB SER 37 -2.886 13.152 -3.706 271 HB3 SER 37 2HB SER 37 -4.379 13.296 -4.634 272 HG SER 37 HG SER 37 -5.213 13.541 -2.709 273 H ARG 38 H ARG 38 -4.376 11.148 -6.782 274 HA ARG 38 HA ARG 38 -7.178 10.559 -6.290 275 HB2 ARG 38 1HB ARG 38 -5.734 10.891 -8.924 276 HB3 ARG 38 2HB ARG 38 -7.475 10.874 -8.678 277 HG2 ARG 38 1HG ARG 38 -7.008 12.901 -7.120 278 HG3 ARG 38 2HG ARG 38 -5.492 13.001 -8.017 279 HD2 ARG 38 1HD ARG 38 -8.032 12.735 -9.543 280 HD3 ARG 38 2HD ARG 38 -7.654 14.292 -8.808 281 HE ARG 38 HE ARG 38 -5.934 14.568 -10.321 282 HH11 ARG 38 1HH1 ARG 38 -7.205 11.333 -10.525 283 HH12 ARG 38 2HH1 ARG 38 -6.363 10.955 -11.991 284 HH21 ARG 38 1HH2 ARG 38 -4.820 14.082 -12.251 285 HH22 ARG 38 2HH2 ARG 38 -5.006 12.519 -12.971 286 H ASP 39 H ASP 39 -4.275 8.930 -7.233 287 HA ASP 39 HA ASP 39 -5.654 6.611 -8.283 288 HB2 ASP 39 1HB ASP 39 -3.304 7.570 -8.960 289 HB3 ASP 39 2HB ASP 39 -2.740 6.616 -7.591 290 H PHE 40 H PHE 40 -3.344 7.106 -5.607 291 HA PHE 40 HA PHE 40 -3.450 4.736 -4.333 292 HB2 PHE 40 1HB PHE 40 -3.254 7.534 -3.327 293 HB3 PHE 40 2HB PHE 40 -3.485 6.252 -2.143 294 HD1 PHE 40 1HD PHE 40 -1.911 4.066 -3.040 295 HD2 PHE 40 2HD PHE 40 -1.071 8.229 -3.318 296 HE1 PHE 40 1HE PHE 40 0.499 3.572 -3.103 297 HE2 PHE 40 2HE PHE 40 1.339 7.742 -3.383 298 HZ PHE 40 HZ PHE 40 2.127 5.411 -3.276 299 H SER 41 H SER 41 -5.900 7.280 -4.088 300 HA SER 41 HA SER 41 -7.545 6.395 -2.133 301 HB2 SER 41 1HB SER 41 -7.895 8.377 -3.698 302 HB3 SER 41 2HB SER 41 -8.650 7.239 -4.814 303 HG SER 41 HG SER 41 -10.382 7.330 -3.646 304 H ASP 42 H ASP 42 -7.403 5.115 -5.432 305 HA ASP 42 HA ASP 42 -9.517 3.364 -5.416 306 HB2 ASP 42 1HB ASP 42 -8.550 2.349 -7.249 307 HB3 ASP 42 2HB ASP 42 -7.674 3.877 -7.226 308 H GLY 43 H GLY 43 -6.196 2.664 -4.320 309 HA2 GLY 43 1HA GLY 43 -5.944 1.460 -2.200 310 HA3 GLY 43 2HA GLY 43 -7.332 0.490 -2.672 311 H VAL 44 H VAL 44 -6.743 -0.190 -5.249 312 HA VAL 44 HA VAL 44 -5.060 -2.384 -4.965 313 HB VAL 44 HB VAL 44 -5.746 -0.955 -7.537 314 HG11 VAL 44 1HG1 VAL 44 -5.404 -3.206 -8.542 315 HG12 VAL 44 2HG1 VAL 44 -3.931 -2.486 -7.888 316 HG13 VAL 44 3HG1 VAL 44 -4.768 -3.754 -6.992 317 HG21 VAL 44 3HG2 VAL 44 -7.782 -1.492 -6.431 318 HG22 VAL 44 1HG2 VAL 44 -7.533 -2.720 -7.673 319 HG23 VAL 44 2HG2 VAL 44 -7.192 -3.092 -5.983 320 H LEU 45 H LEU 45 -4.284 0.909 -5.526 321 HA LEU 45 HA LEU 45 -1.750 0.493 -6.781 322 HB2 LEU 45 1HB LEU 45 -3.307 2.611 -6.656 323 HB3 LEU 45 2HB LEU 45 -2.359 2.950 -5.209 324 HG LEU 45 HG LEU 45 -1.592 4.098 -7.308 325 HD11 LEU 45 1HD1 LEU 45 0.527 2.267 -6.237 326 HD12 LEU 45 2HD1 LEU 45 -0.187 3.537 -5.243 327 HD13 LEU 45 3HD1 LEU 45 0.663 3.955 -6.730 328 HD21 LEU 45 3HD2 LEU 45 -2.006 1.899 -8.643 329 HD22 LEU 45 1HD2 LEU 45 -0.371 1.495 -8.117 330 HD23 LEU 45 2HD2 LEU 45 -0.655 2.949 -9.074 331 H VAL 46 H VAL 46 -2.885 0.772 -3.482 332 HA VAL 46 HA VAL 46 -0.383 1.181 -2.237 333 HB VAL 46 HB VAL 46 -2.980 0.041 -1.224 334 HG11 VAL 46 1HG1 VAL 46 -1.629 -1.021 0.272 335 HG12 VAL 46 2HG1 VAL 46 -0.318 0.146 0.089 336 HG13 VAL 46 3HG1 VAL 46 -1.735 0.554 1.058 337 HG21 VAL 46 3HG2 VAL 46 -3.473 2.212 -1.101 338 HG22 VAL 46 1HG2 VAL 46 -2.276 2.324 0.190 339 HG23 VAL 46 2HG2 VAL 46 -1.814 2.680 -1.475 340 H ALA 47 H ALA 47 -2.200 -1.747 -3.040 341 HA ALA 47 HA ALA 47 -0.530 -3.600 -1.757 342 HB1 ALA 47 3HB ALA 47 -2.829 -4.016 -2.711 343 HB2 ALA 47 1HB ALA 47 -2.058 -4.134 -4.293 344 HB3 ALA 47 2HB ALA 47 -1.631 -5.274 -3.017 345 H GLU 48 H GLU 48 -0.202 -1.890 -4.766 346 HA GLU 48 HA GLU 48 1.745 -3.592 -5.946 347 HB2 GLU 48 1HB GLU 48 0.934 -0.732 -6.428 348 HB3 GLU 48 2HB GLU 48 2.249 -1.484 -7.321 349 HG2 GLU 48 1HG GLU 48 0.586 -3.291 -7.956 350 HG3 GLU 48 2HG GLU 48 -0.660 -2.213 -7.330 351 H VAL 49 H VAL 49 1.983 -0.534 -4.145 352 HA VAL 49 HA VAL 49 4.693 -0.107 -4.230 353 HB VAL 49 HB VAL 49 2.767 0.374 -1.961 354 HG11 VAL 49 1HG1 VAL 49 5.086 0.164 -1.120 355 HG12 VAL 49 2HG1 VAL 49 5.571 1.452 -2.225 356 HG13 VAL 49 3HG1 VAL 49 4.423 1.787 -0.927 357 HG21 VAL 49 3HG2 VAL 49 3.276 2.791 -2.796 358 HG22 VAL 49 1HG2 VAL 49 3.786 1.969 -4.271 359 HG23 VAL 49 2HG2 VAL 49 2.135 1.778 -3.681 360 H ILE 50 H ILE 50 2.910 -2.265 -2.065 361 HA ILE 50 HA ILE 50 5.123 -3.032 -0.482 362 HB ILE 50 HB ILE 50 2.645 -4.663 -1.038 363 HG12 ILE 50 1HG1 ILE 50 3.045 -2.777 1.278 364 HG13 ILE 50 2HG1 ILE 50 2.307 -2.247 -0.230 365 HG21 ILE 50 1HG2 ILE 50 4.016 -6.107 0.091 366 HG22 ILE 50 2HG2 ILE 50 4.853 -4.815 0.950 367 HG23 ILE 50 3HG2 ILE 50 3.231 -5.297 1.446 368 HD11 ILE 50 3HD1 ILE 50 1.287 -4.505 1.475 369 HD12 ILE 50 1HD1 ILE 50 0.669 -2.853 1.506 370 HD13 ILE 50 2HD1 ILE 50 0.516 -3.826 0.042 371 H LYS 51 H LYS 51 3.610 -4.499 -3.337 372 HA LYS 51 HA LYS 51 4.843 -6.867 -3.615 373 HB2 LYS 51 1HB LYS 51 3.326 -5.773 -5.288 374 HB3 LYS 51 2HB LYS 51 4.712 -4.859 -5.870 375 HG2 LYS 51 1HG LYS 51 4.708 -6.581 -7.360 376 HG3 LYS 51 2HG LYS 51 5.771 -7.252 -6.121 377 HD2 LYS 51 1HD LYS 51 4.013 -8.579 -5.219 378 HD3 LYS 51 2HD LYS 51 2.800 -7.747 -6.194 379 HE2 LYS 51 1HE LYS 51 3.347 -9.969 -7.090 380 HE3 LYS 51 2HE LYS 51 3.751 -8.678 -8.221 381 HZ1 LYS 51 3HZ LYS 51 5.979 -9.011 -7.952 382 HZ2 LYS 51 1HZ LYS 51 5.429 -10.595 -7.727 383 HZ3 LYS 51 2HZ LYS 51 5.828 -9.641 -6.389 384 H PHE 52 H PHE 52 6.356 -3.728 -4.204 385 HA PHE 52 HA PHE 52 8.783 -4.619 -5.255 386 HB2 PHE 52 1HB PHE 52 8.229 -2.284 -5.355 387 HB3 PHE 52 2HB PHE 52 8.130 -2.177 -3.601 388 HD1 PHE 52 2HD PHE 52 10.147 -2.142 -2.240 389 HD2 PHE 52 1HD PHE 52 10.344 -2.266 -6.490 390 HE1 PHE 52 2HE PHE 52 12.515 -1.483 -2.146 391 HE2 PHE 52 1HE PHE 52 12.713 -1.608 -6.403 392 HZ PHE 52 HZ PHE 52 13.801 -1.214 -4.229 393 H TYR 53 H TYR 53 7.967 -3.839 -1.876 394 HA TYR 53 HA TYR 53 10.477 -4.769 -0.874 395 HB2 TYR 53 1HB TYR 53 7.881 -4.127 0.539 396 HB3 TYR 53 2HB TYR 53 9.394 -4.499 1.358 397 HD1 TYR 53 2HD TYR 53 7.862 -2.106 -1.046 398 HD2 TYR 53 1HD TYR 53 10.931 -2.800 1.818 399 HE1 TYR 53 2HE TYR 53 8.501 0.266 -1.165 400 HE2 TYR 53 1HE TYR 53 11.578 -0.430 1.708 401 HH TYR 53 HH TYR 53 10.634 1.709 1.084 402 H PHE 54 H PHE 54 7.148 -6.015 -0.562 403 HA PHE 54 HA PHE 54 8.289 -8.716 -0.299 404 HB2 PHE 54 1HB PHE 54 5.753 -7.908 1.101 405 HB3 PHE 54 2HB PHE 54 6.801 -9.285 1.427 406 HD1 PHE 54 1HD PHE 54 9.423 -8.177 1.703 407 HD2 PHE 54 2HD PHE 54 5.690 -6.560 2.957 408 HE1 PHE 54 1HE PHE 54 10.574 -6.888 3.454 409 HE2 PHE 54 2HE PHE 54 6.835 -5.268 4.709 410 HZ PHE 54 HZ PHE 54 9.280 -5.429 4.959 411 HA PRO 55 HA PRO 55 5.499 -8.849 -3.901 412 HB2 PRO 55 1HB PRO 55 6.816 -10.900 -5.099 413 HB3 PRO 55 2HB PRO 55 7.332 -9.215 -5.238 414 HG2 PRO 55 1HG PRO 55 8.374 -11.373 -3.445 415 HG3 PRO 55 2HG PRO 55 9.273 -10.164 -4.379 416 HD2 PRO 55 1HD PRO 55 8.809 -9.903 -1.725 417 HD3 PRO 55 2HD PRO 55 8.917 -8.507 -2.817 418 H LYS 56 H LYS 56 6.728 -11.534 -1.944 419 HA LYS 56 HA LYS 56 4.834 -13.460 -2.694 420 HB2 LYS 56 1HB LYS 56 5.415 -14.550 -0.519 421 HB3 LYS 56 2HB LYS 56 6.809 -14.134 -1.509 422 HG2 LYS 56 1HG LYS 56 6.932 -11.997 -0.107 423 HG3 LYS 56 2HG LYS 56 5.834 -12.823 1.002 424 HD2 LYS 56 1HD LYS 56 8.412 -14.060 0.069 425 HD3 LYS 56 2HD LYS 56 8.325 -13.016 1.490 426 HE2 LYS 56 1HE LYS 56 6.405 -15.278 1.271 427 HE3 LYS 56 2HE LYS 56 8.081 -15.640 1.678 428 HZ1 LYS 56 3HZ LYS 56 6.030 -14.413 3.279 429 HZ2 LYS 56 1HZ LYS 56 7.499 -13.576 3.318 430 HZ3 LYS 56 2HZ LYS 56 7.444 -15.208 3.758 431 H MET 57 H MET 57 4.847 -11.212 0.067 432 HA MET 57 HA MET 57 2.518 -11.943 1.314 433 HB2 MET 57 1HB MET 57 3.872 -9.295 0.956 434 HB3 MET 57 2HB MET 57 2.319 -9.375 1.777 435 HG2 MET 57 1HG MET 57 4.482 -11.212 2.654 436 HG3 MET 57 2HG MET 57 4.584 -9.510 3.097 437 HE1 MET 57 3HE MET 57 3.483 -8.352 4.507 438 HE2 MET 57 1HE MET 57 1.734 -8.508 4.676 439 HE3 MET 57 2HE MET 57 2.796 -9.041 5.979 440 H VAL 58 H VAL 58 2.823 -9.563 -1.321 441 HA VAL 58 HA VAL 58 0.039 -9.121 -1.585 442 HB VAL 58 HB VAL 58 2.169 -8.712 -3.687 443 HG11 VAL 58 1HG1 VAL 58 -0.134 -8.640 -4.533 444 HG12 VAL 58 2HG1 VAL 58 -0.529 -7.408 -3.333 445 HG13 VAL 58 3HG1 VAL 58 0.642 -7.058 -4.606 446 HG21 VAL 58 3HG2 VAL 58 2.659 -6.636 -2.792 447 HG22 VAL 58 1HG2 VAL 58 1.150 -6.558 -1.882 448 HG23 VAL 58 2HG2 VAL 58 2.450 -7.620 -1.343 449 H GLU 59 H GLU 59 -1.429 -9.882 -3.117 450 HA GLU 59 HA GLU 59 -0.632 -12.373 -4.476 451 HB2 GLU 59 1HB GLU 59 -3.142 -11.655 -2.996 452 HB3 GLU 59 2HB GLU 59 -3.175 -12.880 -4.256 453 HG2 GLU 59 1HG GLU 59 -1.206 -13.032 -2.009 454 HG3 GLU 59 2HG GLU 59 -2.857 -13.620 -1.821 455 H MET 60 H MET 60 -2.703 -9.510 -4.611 456 HA MET 60 HA MET 60 -3.789 -8.486 -6.338 457 HB2 MET 60 1HB MET 60 -1.145 -9.312 -7.473 458 HB3 MET 60 2HB MET 60 -2.333 -8.549 -8.521 459 HG2 MET 60 1HG MET 60 -1.388 -7.341 -5.938 460 HG3 MET 60 2HG MET 60 -0.641 -7.014 -7.500 461 HE1 MET 60 3HE MET 60 -3.032 -6.376 -4.982 462 HE2 MET 60 1HE MET 60 -3.954 -4.972 -5.519 463 HE3 MET 60 2HE MET 60 -4.556 -6.598 -5.842 464 H HIS 61 H HIS 61 -4.867 -10.946 -5.906 465 HA HIS 61 HA HIS 61 -5.463 -11.865 -8.640 466 HB2 HIS 61 1HB HIS 61 -4.169 -13.607 -7.616 467 HB3 HIS 61 2HB HIS 61 -5.129 -13.530 -6.141 468 HD1 HIS 61 1HD HIS 61 -6.837 -15.299 -5.963 469 HD2 HIS 61 2HD HIS 61 -5.920 -14.440 -9.923 470 HE1 HIS 61 1HE HIS 61 -8.189 -16.918 -7.333 471 HE2 HIS 61 2HE HIS 61 -7.553 -16.436 -9.722 472 H ASN 62 H ASN 62 -6.609 -11.130 -5.431 473 HA ASN 62 HA ASN 62 -9.362 -11.778 -6.160 474 HB2 ASN 62 1HB ASN 62 -8.339 -10.701 -3.528 475 HB3 ASN 62 2HB ASN 62 -9.903 -11.450 -3.838 476 HD21 ASN 62 1HD2 ASN 62 -6.706 -11.941 -2.897 477 HD22 ASN 62 2HD2 ASN 62 -6.715 -13.669 -2.876 478 H TYR 63 H TYR 63 -7.494 -9.002 -4.946 479 HA TYR 63 HA TYR 63 -9.537 -7.105 -5.070 480 HB2 TYR 63 1HB TYR 63 -6.601 -6.577 -5.556 481 HB3 TYR 63 2HB TYR 63 -7.802 -5.432 -4.969 482 HD1 TYR 63 2HD TYR 63 -9.056 -6.258 -2.752 483 HD2 TYR 63 1HD TYR 63 -5.192 -7.528 -4.001 484 HE1 TYR 63 2HE TYR 63 -8.516 -6.874 -0.433 485 HE2 TYR 63 1HE TYR 63 -4.641 -8.149 -1.685 486 HH TYR 63 HH TYR 63 -5.320 -8.161 0.429 487 H VAL 64 H VAL 64 -10.301 -5.760 -6.639 488 HA VAL 64 HA VAL 64 -9.144 -5.984 -9.331 489 HB VAL 64 HB VAL 64 -12.082 -6.208 -8.665 490 HG11 VAL 64 1HG1 VAL 64 -12.618 -5.680 -10.769 491 HG12 VAL 64 2HG1 VAL 64 -11.001 -4.982 -10.877 492 HG13 VAL 64 3HG1 VAL 64 -11.291 -6.630 -11.437 493 HG21 VAL 64 3HG2 VAL 64 -11.026 -8.308 -8.330 494 HG22 VAL 64 1HG2 VAL 64 -11.822 -8.388 -9.901 495 HG23 VAL 64 2HG2 VAL 64 -10.078 -8.144 -9.808 496 HA PRO 65 HA PRO 65 -9.400 -1.570 -9.079 497 HB2 PRO 65 1HB PRO 65 -8.770 -1.052 -11.668 498 HB3 PRO 65 2HB PRO 65 -7.570 -1.549 -10.469 499 HG2 PRO 65 1HG PRO 65 -8.965 -3.192 -12.546 500 HG3 PRO 65 2HG PRO 65 -7.258 -3.210 -12.066 501 HD2 PRO 65 1HD PRO 65 -9.035 -5.059 -11.198 502 HD3 PRO 65 2HD PRO 65 -7.663 -4.515 -10.211 503 H ALA 66 H ALA 66 -11.254 -0.481 -9.013 504 HA ALA 66 HA ALA 66 -13.051 -0.600 -11.336 505 HB1 ALA 66 3HB ALA 66 -14.134 -0.515 -8.540 506 HB2 ALA 66 1HB ALA 66 -14.972 -0.909 -10.041 507 HB3 ALA 66 2HB ALA 66 -13.803 -2.041 -9.359 508 H ASN 67 H ASN 67 -14.865 1.172 -10.943 509 HA ASN 67 HA ASN 67 -13.540 3.618 -9.977 510 HB2 ASN 67 1HB ASN 67 -14.636 4.837 -11.852 511 HB3 ASN 67 2HB ASN 67 -13.457 3.647 -12.397 512 HD21 ASN 67 1HD2 ASN 67 -14.155 2.871 -14.252 513 HD22 ASN 67 2HD2 ASN 67 -15.755 2.305 -14.577 514 H SER 68 H SER 68 -15.309 2.037 -8.461 515 HA SER 68 HA SER 68 -17.494 3.956 -8.103 516 HB2 SER 68 1HB SER 68 -18.143 1.757 -9.381 517 HB3 SER 68 2HB SER 68 -18.081 1.034 -7.773 518 HG SER 68 HG SER 68 -19.979 2.620 -8.869 519 H LEU 69 H LEU 69 -17.755 4.546 -6.044 520 HA LEU 69 HA LEU 69 -16.004 4.003 -4.027 521 HB2 LEU 69 1HB LEU 69 -17.497 5.817 -3.784 522 HB3 LEU 69 2HB LEU 69 -18.907 4.768 -3.916 523 HG LEU 69 HG LEU 69 -18.268 3.773 -1.709 524 HD11 LEU 69 1HD1 LEU 69 -16.602 6.125 -1.086 525 HD12 LEU 69 2HD1 LEU 69 -15.854 4.882 -2.089 526 HD13 LEU 69 3HD1 LEU 69 -16.494 4.465 -0.500 527 HD21 LEU 69 3HD2 LEU 69 -19.798 5.176 -0.930 528 HD22 LEU 69 1HD2 LEU 69 -19.516 6.242 -2.306 529 HD23 LEU 69 2HD2 LEU 69 -18.590 6.458 -0.820 530 H GLN 70 H GLN 70 -19.118 2.373 -4.572 531 HA GLN 70 HA GLN 70 -19.298 0.695 -2.461 532 HB2 GLN 70 1HB GLN 70 -20.798 0.822 -4.520 533 HB3 GLN 70 2HB GLN 70 -19.693 -0.321 -5.271 534 HG2 GLN 70 1HG GLN 70 -20.143 -1.722 -3.114 535 HG3 GLN 70 2HG GLN 70 -21.592 -0.723 -3.014 536 HE21 GLN 70 1HE2 GLN 70 -23.303 -1.282 -4.185 537 HE22 GLN 70 2HE2 GLN 70 -23.320 -2.488 -5.421 538 H GLN 71 H GLN 71 -17.524 -0.148 -5.441 539 HA GLN 71 HA GLN 71 -16.362 -2.487 -4.359 540 HB2 GLN 71 1HB GLN 71 -15.909 -0.822 -6.793 541 HB3 GLN 71 2HB GLN 71 -14.681 -1.999 -6.345 542 HG2 GLN 71 1HG GLN 71 -17.566 -2.522 -7.004 543 HG3 GLN 71 2HG GLN 71 -16.142 -3.018 -7.918 544 HE21 GLN 71 1HE2 GLN 71 -14.513 -4.184 -6.271 545 HE22 GLN 71 2HE2 GLN 71 -15.240 -5.508 -5.433 546 H LYS 72 H LYS 72 -15.147 0.818 -4.765 547 HA LYS 72 HA LYS 72 -12.536 0.578 -4.041 548 HB2 LYS 72 1HB LYS 72 -14.466 2.725 -3.144 549 HB3 LYS 72 2HB LYS 72 -12.714 2.854 -3.062 550 HG2 LYS 72 1HG LYS 72 -13.964 2.232 -5.686 551 HG3 LYS 72 2HG LYS 72 -14.076 3.879 -5.062 552 HD2 LYS 72 1HD LYS 72 -11.716 4.103 -4.982 553 HD3 LYS 72 2HD LYS 72 -11.474 2.375 -5.252 554 HE2 LYS 72 1HE LYS 72 -11.002 3.485 -7.303 555 HE3 LYS 72 2HE LYS 72 -12.554 2.670 -7.495 556 HZ1 LYS 72 3HZ LYS 72 -12.465 4.991 -8.363 557 HZ2 LYS 72 1HZ LYS 72 -12.296 5.534 -6.769 558 HZ3 LYS 72 2HZ LYS 72 -13.699 4.713 -7.239 559 H LEU 73 H LEU 73 -15.087 1.342 -1.663 560 HA LEU 73 HA LEU 73 -13.540 0.928 0.611 561 HB2 LEU 73 1HB LEU 73 -16.460 0.919 0.035 562 HB3 LEU 73 2HB LEU 73 -15.912 0.328 1.603 563 HG LEU 73 HG LEU 73 -15.330 3.074 0.498 564 HD11 LEU 73 1HD1 LEU 73 -17.489 3.431 0.996 565 HD12 LEU 73 2HD1 LEU 73 -16.914 3.449 2.662 566 HD13 LEU 73 3HD1 LEU 73 -17.610 1.977 1.986 567 HD21 LEU 73 3HD2 LEU 73 -13.977 1.671 2.431 568 HD22 LEU 73 1HD2 LEU 73 -15.136 2.612 3.369 569 HD23 LEU 73 2HD2 LEU 73 -14.021 3.428 2.273 570 H SER 74 H SER 74 -15.678 -1.342 -1.093 571 HA SER 74 HA SER 74 -15.481 -3.526 0.578 572 HB2 SER 74 1HB SER 74 -16.796 -3.177 -1.664 573 HB3 SER 74 2HB SER 74 -15.379 -3.934 -2.391 574 HG SER 74 HG SER 74 -15.715 -5.706 -0.962 575 H ASN 75 H ASN 75 -13.175 -2.348 -1.794 576 HA ASN 75 HA ASN 75 -11.459 -4.631 -1.653 577 HB2 ASN 75 1HB ASN 75 -11.136 -1.850 -2.770 578 HB3 ASN 75 2HB ASN 75 -9.809 -3.008 -2.768 579 HD21 ASN 75 1HD2 ASN 75 -10.554 -2.091 -5.133 580 HD22 ASN 75 2HD2 ASN 75 -11.441 -3.276 -6.024 581 H TRP 76 H TRP 76 -11.303 -1.340 -0.310 582 HA TRP 76 HA TRP 76 -8.885 -1.586 1.047 583 HB2 TRP 76 1HB TRP 76 -11.291 0.148 1.340 584 HB3 TRP 76 2HB TRP 76 -10.128 0.129 2.662 585 HD1 TRP 76 HD TRP 76 -10.591 1.361 -0.897 586 HE1 TRP 76 1HE TRP 76 -8.621 2.896 -1.519 587 HE3 TRP 76 3HE TRP 76 -7.588 0.509 3.152 588 HZ2 TRP 76 2HZ TRP 76 -6.124 3.646 -0.437 589 HZ3 TRP 76 3HZ TRP 76 -5.425 1.674 3.282 590 HH2 TRP 76 HH TRP 76 -4.710 3.209 1.523 591 H GLY 77 H GLY 77 -12.188 -2.216 2.218 592 HA2 GLY 77 1HA GLY 77 -11.764 -2.829 4.834 593 HA3 GLY 77 2HA GLY 77 -12.910 -3.704 3.828 594 H HIS 78 H HIS 78 -11.373 -5.136 2.146 595 HA HIS 78 HA HIS 78 -10.491 -7.273 3.764 596 HB2 HIS 78 1HB HIS 78 -10.461 -6.666 0.844 597 HB3 HIS 78 2HB HIS 78 -9.434 -7.971 1.429 598 HD1 HIS 78 1HD HIS 78 -10.527 -10.185 1.551 599 HD2 HIS 78 2HD HIS 78 -13.290 -7.085 1.696 600 HE1 HIS 78 1HE HIS 78 -12.784 -11.295 1.555 601 HE2 HIS 78 2HE HIS 78 -14.440 -9.398 1.557 602 H LEU 79 H LEU 79 -8.690 -4.933 1.779 603 HA LEU 79 HA LEU 79 -6.123 -5.860 2.245 604 HB2 LEU 79 1HB LEU 79 -7.045 -3.911 0.766 605 HB3 LEU 79 2HB LEU 79 -6.663 -2.925 2.175 606 HG LEU 79 HG LEU 79 -4.307 -4.071 1.933 607 HD11 LEU 79 1HD1 LEU 79 -5.132 -4.036 -0.948 608 HD12 LEU 79 2HD1 LEU 79 -5.254 -5.499 0.028 609 HD13 LEU 79 3HD1 LEU 79 -3.686 -4.730 -0.214 610 HD21 LEU 79 3HD2 LEU 79 -5.439 -1.774 0.372 611 HD22 LEU 79 1HD2 LEU 79 -3.731 -2.205 0.268 612 HD23 LEU 79 2HD2 LEU 79 -4.431 -1.744 1.820 613 H ASN 80 H ASN 80 -8.313 -4.503 4.456 614 HA ASN 80 HA ASN 80 -6.308 -3.495 6.283 615 HB2 ASN 80 1HB ASN 80 -8.545 -2.430 6.085 616 HB3 ASN 80 2HB ASN 80 -9.274 -3.901 6.723 617 HD21 ASN 80 1HD2 ASN 80 -8.729 -0.946 7.603 618 HD22 ASN 80 2HD2 ASN 80 -8.287 -1.137 9.262 619 H ARG 81 H ARG 81 -8.142 -6.408 5.783 620 HA ARG 81 HA ARG 81 -7.050 -7.525 8.279 621 HB2 ARG 81 1HB ARG 81 -9.520 -8.163 6.690 622 HB3 ARG 81 2HB ARG 81 -8.835 -9.340 7.802 623 HG2 ARG 81 1HG ARG 81 -8.937 -7.342 9.493 624 HG3 ARG 81 2HG ARG 81 -10.158 -6.738 8.371 625 HD2 ARG 81 1HD ARG 81 -10.194 -9.473 9.640 626 HD3 ARG 81 2HD ARG 81 -11.096 -8.080 10.236 627 HE ARG 81 HE ARG 81 -11.849 -8.315 7.624 628 HH11 ARG 81 1HH1 ARG 81 -11.848 -10.433 10.387 629 HH12 ARG 81 2HH1 ARG 81 -13.235 -11.330 9.863 630 HH21 ARG 81 1HH2 ARG 81 -13.675 -9.489 6.924 631 HH22 ARG 81 2HH2 ARG 81 -14.272 -10.793 7.893 632 H LYS 82 H LYS 82 -6.269 -7.341 5.166 633 HA LYS 82 HA LYS 82 -5.273 -10.113 5.046 634 HB2 LYS 82 1HB LYS 82 -6.332 -8.295 2.920 635 HB3 LYS 82 2HB LYS 82 -5.113 -9.489 2.493 636 HG2 LYS 82 1HG LYS 82 -7.678 -10.189 3.895 637 HG3 LYS 82 2HG LYS 82 -7.499 -10.183 2.139 638 HD2 LYS 82 1HD LYS 82 -5.932 -11.936 2.186 639 HD3 LYS 82 2HD LYS 82 -5.649 -11.747 3.918 640 HE2 LYS 82 1HE LYS 82 -7.849 -12.589 4.417 641 HE3 LYS 82 2HE LYS 82 -8.263 -12.634 2.704 642 HZ1 LYS 82 3HZ LYS 82 -6.497 -14.292 2.395 643 HZ2 LYS 82 1HZ LYS 82 -7.696 -14.827 3.462 644 HZ3 LYS 82 2HZ LYS 82 -6.208 -14.292 4.062 645 H VAL 83 H VAL 83 -4.545 -6.714 4.568 646 HA VAL 83 HA VAL 83 -1.700 -7.400 4.225 647 HB VAL 83 HB VAL 83 -3.194 -4.898 3.435 648 HG11 VAL 83 1HG1 VAL 83 -1.131 -4.060 4.093 649 HG12 VAL 83 2HG1 VAL 83 -0.263 -5.501 3.560 650 HG13 VAL 83 3HG1 VAL 83 -0.899 -4.363 2.372 651 HG21 VAL 83 3HG2 VAL 83 -1.969 -7.173 1.906 652 HG22 VAL 83 1HG2 VAL 83 -3.610 -6.536 1.814 653 HG23 VAL 83 2HG2 VAL 83 -2.264 -5.605 1.156 654 H LEU 84 H LEU 84 -3.534 -4.606 5.473 655 HA LEU 84 HA LEU 84 -1.687 -3.550 7.164 656 HB2 LEU 84 1HB LEU 84 -4.643 -3.830 7.682 657 HB3 LEU 84 2HB LEU 84 -3.566 -2.732 8.543 658 HG LEU 84 HG LEU 84 -4.293 -2.603 5.617 659 HD11 LEU 84 1HD1 LEU 84 -4.882 -0.244 7.085 660 HD12 LEU 84 2HD1 LEU 84 -5.583 -1.618 7.938 661 HD13 LEU 84 3HD1 LEU 84 -5.991 -1.329 6.247 662 HD21 LEU 84 3HD2 LEU 84 -2.239 -1.668 5.490 663 HD22 LEU 84 1HD2 LEU 84 -2.172 -1.311 7.216 664 HD23 LEU 84 2HD2 LEU 84 -3.089 -0.262 6.134 665 H LYS 85 H LYS 85 -4.128 -5.957 8.157 666 HA LYS 85 HA LYS 85 -3.518 -6.419 10.729 667 HB2 LYS 85 1HB LYS 85 -5.140 -7.697 9.219 668 HB3 LYS 85 2HB LYS 85 -3.780 -8.739 8.823 669 HG2 LYS 85 1HG LYS 85 -3.574 -9.452 11.092 670 HG3 LYS 85 2HG LYS 85 -4.759 -8.258 11.627 671 HD2 LYS 85 1HD LYS 85 -6.343 -9.472 9.960 672 HD3 LYS 85 2HD LYS 85 -5.180 -10.793 10.093 673 HE2 LYS 85 1HE LYS 85 -5.454 -10.628 12.592 674 HE3 LYS 85 2HE LYS 85 -6.798 -9.526 12.295 675 HZ1 LYS 85 3HZ LYS 85 -7.963 -11.241 11.131 676 HZ2 LYS 85 1HZ LYS 85 -7.483 -11.858 12.631 677 HZ3 LYS 85 2HZ LYS 85 -6.642 -12.292 11.230 678 H ARG 86 H ARG 86 -1.830 -8.112 8.077 679 HA ARG 86 HA ARG 86 0.070 -9.436 9.566 680 HB2 ARG 86 1HB ARG 86 0.333 -8.214 6.815 681 HB3 ARG 86 2HB ARG 86 1.501 -9.329 7.511 682 HG2 ARG 86 1HG ARG 86 -1.398 -10.043 7.211 683 HG3 ARG 86 2HG ARG 86 -0.224 -10.290 5.916 684 HD2 ARG 86 1HD ARG 86 -0.097 -12.327 6.935 685 HD3 ARG 86 2HD ARG 86 1.134 -11.462 7.855 686 HE ARG 86 HE ARG 86 -1.269 -11.100 9.188 687 HH11 ARG 86 1HH1 ARG 86 0.827 -13.738 8.313 688 HH12 ARG 86 2HH1 ARG 86 0.390 -14.710 9.679 689 HH21 ARG 86 1HH2 ARG 86 -1.853 -12.371 10.990 690 HH22 ARG 86 2HH2 ARG 86 -1.135 -13.932 11.201 691 H LEU 87 H LEU 87 0.050 -6.081 8.512 692 HA LEU 87 HA LEU 87 2.698 -5.614 9.625 693 HB2 LEU 87 1HB LEU 87 0.762 -3.701 8.327 694 HB3 LEU 87 2HB LEU 87 2.429 -3.341 8.772 695 HG LEU 87 HG LEU 87 1.894 -5.567 6.859 696 HD11 LEU 87 1HD1 LEU 87 0.585 -3.976 5.784 697 HD12 LEU 87 2HD1 LEU 87 2.173 -3.759 5.051 698 HD13 LEU 87 3HD1 LEU 87 1.616 -2.638 6.293 699 HD21 LEU 87 3HD2 LEU 87 4.072 -3.500 6.828 700 HD22 LEU 87 1HD2 LEU 87 4.061 -5.107 6.100 701 HD23 LEU 87 2HD2 LEU 87 4.160 -4.934 7.852 702 H ASN 88 H ASN 88 0.452 -6.372 11.360 703 HA ASN 88 HA ASN 88 -0.665 -5.696 13.250 704 HB2 ASN 88 1HB ASN 88 1.708 -5.981 13.963 705 HB3 ASN 88 2HB ASN 88 1.958 -4.257 13.703 706 HD21 ASN 88 1HD2 ASN 88 1.844 -3.080 15.459 707 HD22 ASN 88 2HD2 ASN 88 0.906 -3.430 16.867 708 H PHE 89 H PHE 89 -0.913 -3.883 10.904 709 HA PHE 89 HA PHE 89 -1.246 -1.285 12.215 710 HB2 PHE 89 1HB PHE 89 -0.101 -1.635 9.911 711 HB3 PHE 89 2HB PHE 89 -1.742 -1.805 9.297 712 HD1 PHE 89 1HD PHE 89 0.576 0.494 11.021 713 HD2 PHE 89 2HD PHE 89 -3.111 0.075 8.937 714 HE1 PHE 89 1HE PHE 89 0.383 2.943 10.876 715 HE2 PHE 89 2HE PHE 89 -3.309 2.523 8.788 716 HZ PHE 89 HZ PHE 89 -1.561 3.960 9.758 717 H SER 90 H SER 90 -3.187 -0.437 12.679 718 HA SER 90 HA SER 90 -5.583 -1.781 11.623 719 HB2 SER 90 1HB SER 90 -5.186 -0.848 14.476 720 HB3 SER 90 2HB SER 90 -6.663 -1.552 13.818 721 HG SER 90 HG SER 90 -5.438 -3.459 13.392 722 H VAL 91 H VAL 91 -7.404 -0.480 11.316 723 HA VAL 91 HA VAL 91 -7.259 2.352 11.928 724 HB VAL 91 HB VAL 91 -7.393 1.377 9.072 725 HG11 VAL 91 1HG1 VAL 91 -8.940 3.296 9.722 726 HG12 VAL 91 2HG1 VAL 91 -7.471 4.242 9.970 727 HG13 VAL 91 3HG1 VAL 91 -7.834 3.575 8.378 728 HG21 VAL 91 3HG2 VAL 91 -5.411 3.070 8.969 729 HG22 VAL 91 1HG2 VAL 91 -5.314 2.768 10.704 730 HG23 VAL 91 2HG2 VAL 91 -5.138 1.433 9.565 731 HA PRO 92 HA PRO 92 -11.590 1.641 12.397 732 HB2 PRO 92 1HB PRO 92 -12.385 4.232 12.552 733 HB3 PRO 92 2HB PRO 92 -11.556 3.402 13.873 734 HG2 PRO 92 1HG PRO 92 -10.444 5.273 11.818 735 HG3 PRO 92 2HG PRO 92 -10.117 5.202 13.559 736 HD2 PRO 92 1HD PRO 92 -8.429 4.160 11.717 737 HD3 PRO 92 2HD PRO 92 -8.626 3.459 13.336 738 H ASP 93 H ASP 93 -13.620 2.050 11.325 739 HA ASP 93 HA ASP 93 -13.418 2.041 8.507 740 HB2 ASP 93 1HB ASP 93 -15.929 2.140 8.583 741 HB3 ASP 93 2HB ASP 93 -15.219 0.843 9.540 742 H ASP 94 H ASP 94 -14.488 4.503 10.817 743 HA ASP 94 HA ASP 94 -15.473 6.433 9.138 744 HB2 ASP 94 1HB ASP 94 -13.696 6.928 11.537 745 HB3 ASP 94 2HB ASP 94 -14.821 8.079 10.822 746 H VAL 95 H VAL 95 -12.083 5.753 9.885 747 HA VAL 95 HA VAL 95 -11.021 7.930 8.401 748 HB VAL 95 HB VAL 95 -9.753 5.348 9.313 749 HG11 VAL 95 1HG1 VAL 95 -8.628 6.273 7.309 750 HG12 VAL 95 2HG1 VAL 95 -8.373 7.782 8.188 751 HG13 VAL 95 3HG1 VAL 95 -7.610 6.293 8.749 752 HG21 VAL 95 3HG2 VAL 95 -8.924 6.535 11.138 753 HG22 VAL 95 1HG2 VAL 95 -9.202 8.098 10.369 754 HG23 VAL 95 2HG2 VAL 95 -10.567 7.153 10.965 755 H MET 96 H MET 96 -11.612 4.522 7.648 756 HA MET 96 HA MET 96 -10.390 4.458 5.130 757 HB2 MET 96 1HB MET 96 -12.708 2.881 6.248 758 HB3 MET 96 2HB MET 96 -11.969 2.536 4.691 759 HG2 MET 96 1HG MET 96 -9.768 2.396 6.045 760 HG3 MET 96 2HG MET 96 -10.837 2.208 7.432 761 HE1 MET 96 3HE MET 96 -12.481 -0.174 7.720 762 HE2 MET 96 1HE MET 96 -11.196 -1.379 7.625 763 HE3 MET 96 2HE MET 96 -10.877 0.194 8.357 764 H ARG 97 H ARG 97 -13.809 5.009 5.971 765 HA ARG 97 HA ARG 97 -14.967 5.309 3.549 766 HB2 ARG 97 1HB ARG 97 -15.343 6.910 6.069 767 HB3 ARG 97 2HB ARG 97 -16.325 7.209 4.641 768 HG2 ARG 97 1HG ARG 97 -17.339 5.110 4.751 769 HG3 ARG 97 2HG ARG 97 -16.096 4.468 5.827 770 HD2 ARG 97 1HD ARG 97 -16.881 6.120 7.550 771 HD3 ARG 97 2HD ARG 97 -18.235 6.485 6.481 772 HE ARG 97 HE ARG 97 -17.934 4.185 8.155 773 HH11 ARG 97 1HH1 ARG 97 -19.355 5.369 5.206 774 HH12 ARG 97 2HH1 ARG 97 -20.630 4.195 5.196 775 HH21 ARG 97 1HH2 ARG 97 -19.607 2.635 8.153 776 HH22 ARG 97 2HH2 ARG 97 -20.772 2.641 6.873 777 H LYS 98 H LYS 98 -13.050 7.790 5.212 778 HA LYS 98 HA LYS 98 -13.349 9.781 3.230 779 HB2 LYS 98 1HB LYS 98 -11.163 9.387 5.281 780 HB3 LYS 98 2HB LYS 98 -11.387 10.844 4.323 781 HG2 LYS 98 1HG LYS 98 -13.273 11.477 5.472 782 HG3 LYS 98 2HG LYS 98 -13.645 9.829 5.983 783 HD2 LYS 98 1HD LYS 98 -11.839 9.856 7.571 784 HD3 LYS 98 2HD LYS 98 -11.285 11.423 6.977 785 HE2 LYS 98 1HE LYS 98 -13.680 12.211 7.611 786 HE3 LYS 98 2HE LYS 98 -13.702 10.760 8.611 787 HZ1 LYS 98 3HZ LYS 98 -11.707 12.954 8.772 788 HZ2 LYS 98 1HZ LYS 98 -11.689 11.548 9.712 789 HZ3 LYS 98 2HZ LYS 98 -12.953 12.660 9.878 790 H ILE 99 H ILE 99 -10.825 7.358 3.812 791 HA ILE 99 HA ILE 99 -8.996 8.098 1.879 792 HB ILE 99 HB ILE 99 -9.745 5.284 2.683 793 HG12 ILE 99 1HG1 ILE 99 -7.527 7.055 3.726 794 HG13 ILE 99 2HG1 ILE 99 -9.069 6.824 4.542 795 HG21 ILE 99 1HG2 ILE 99 -7.018 5.992 1.766 796 HG22 ILE 99 2HG2 ILE 99 -7.920 4.489 1.586 797 HG23 ILE 99 3HG2 ILE 99 -8.279 5.863 0.541 798 HD11 ILE 99 3HD1 ILE 99 -8.362 4.274 4.284 799 HD12 ILE 99 1HD1 ILE 99 -6.757 5.004 4.296 800 HD13 ILE 99 2HD1 ILE 99 -7.858 5.272 5.648 801 H ALA 100 H ALA 100 -11.557 5.641 1.480 802 HA ALA 100 HA ALA 100 -11.224 5.214 -1.245 803 HB1 ALA 100 3HB ALA 100 -13.690 4.995 0.469 804 HB2 ALA 100 1HB ALA 100 -13.605 4.439 -1.203 805 HB3 ALA 100 2HB ALA 100 -12.567 3.710 0.023 806 H GLN 101 H GLN 101 -12.737 7.848 0.430 807 HA GLN 101 HA GLN 101 -14.109 8.828 -1.925 808 HB2 GLN 101 1HB GLN 101 -13.865 9.740 0.919 809 HB3 GLN 101 2HB GLN 101 -14.454 10.854 -0.308 810 HG2 GLN 101 1HG GLN 101 -15.679 8.145 -0.009 811 HG3 GLN 101 2HG GLN 101 -16.141 9.466 1.063 812 HE21 GLN 101 1HE2 GLN 101 -16.868 7.918 -1.751 813 HE22 GLN 101 2HE2 GLN 101 -17.785 9.157 -2.530 814 H CYS 102 H CYS 102 -11.139 8.544 -1.851 815 HA CYS 102 HA CYS 102 -9.233 9.730 -2.317 816 HB2 CYS 102 1HB CYS 102 -10.477 9.746 -4.456 817 HB3 CYS 102 2HB CYS 102 -11.216 11.276 -3.999 818 HG CYS 102 HG CYS 102 -8.659 12.580 -3.867 819 H ALA 103 H ALA 103 -9.915 10.541 0.092 820 HA ALA 103 HA ALA 103 -10.279 13.418 0.174 821 HB1 ALA 103 3HB ALA 103 -9.652 11.700 2.548 822 HB2 ALA 103 1HB ALA 103 -10.571 13.203 2.475 823 HB3 ALA 103 2HB ALA 103 -11.262 11.715 1.827 824 HA PRO 104 HA PRO 104 -5.921 14.235 0.041 825 HB2 PRO 104 1HB PRO 104 -6.076 16.878 0.643 826 HB3 PRO 104 2HB PRO 104 -6.490 16.229 -0.948 827 HG2 PRO 104 1HG PRO 104 -8.295 16.988 1.317 828 HG3 PRO 104 2HG PRO 104 -8.482 17.305 -0.418 829 HD2 PRO 104 1HD PRO 104 -9.795 15.303 0.846 830 HD3 PRO 104 2HD PRO 104 -9.279 15.186 -0.848 831 H GLY 105 H GLY 105 -4.451 13.842 1.570 832 HA2 GLY 105 1HA GLY 105 -3.295 14.245 3.575 833 HA3 GLY 105 2HA GLY 105 -4.705 15.092 4.192 834 H VAL 106 H VAL 106 -6.620 13.056 3.651 835 HA VAL 106 HA VAL 106 -6.488 11.569 6.008 836 HB VAL 106 HB VAL 106 -8.058 10.889 3.517 837 HG11 VAL 106 1HG1 VAL 106 -8.839 9.139 4.635 838 HG12 VAL 106 2HG1 VAL 106 -7.763 9.518 5.981 839 HG13 VAL 106 3HG1 VAL 106 -9.389 10.200 5.931 840 HG21 VAL 106 3HG2 VAL 106 -9.878 12.150 4.523 841 HG22 VAL 106 1HG2 VAL 106 -8.855 12.557 5.901 842 HG23 VAL 106 2HG2 VAL 106 -8.466 13.182 4.298 843 H VAL 107 H VAL 107 -6.365 10.169 2.730 844 HA VAL 107 HA VAL 107 -5.373 7.682 3.507 845 HB VAL 107 HB VAL 107 -6.299 7.832 1.341 846 HG11 VAL 107 1HG1 VAL 107 -4.441 10.143 1.021 847 HG12 VAL 107 2HG1 VAL 107 -4.963 9.252 -0.410 848 HG13 VAL 107 3HG1 VAL 107 -6.158 10.016 0.639 849 HG21 VAL 107 3HG2 VAL 107 -4.800 6.572 0.180 850 HG22 VAL 107 1HG2 VAL 107 -3.461 7.674 0.497 851 HG23 VAL 107 2HG2 VAL 107 -3.999 6.557 1.751 852 H GLU 108 H GLU 108 -3.719 10.689 2.833 853 HA GLU 108 HA GLU 108 -1.109 9.661 2.549 854 HB2 GLU 108 1HB GLU 108 -1.417 11.869 1.813 855 HB3 GLU 108 2HB GLU 108 -2.206 12.353 3.308 856 HG2 GLU 108 1HG GLU 108 0.629 11.462 3.411 857 HG3 GLU 108 2HG GLU 108 0.259 13.064 2.776 858 H LEU 109 H LEU 109 -2.992 10.638 5.359 859 HA LEU 109 HA LEU 109 -0.964 10.635 7.277 860 HB2 LEU 109 1HB LEU 109 -3.910 10.103 7.407 861 HB3 LEU 109 2HB LEU 109 -2.900 9.976 8.847 862 HG LEU 109 HG LEU 109 -3.079 12.478 7.180 863 HD11 LEU 109 1HD1 LEU 109 -4.631 13.332 8.856 864 HD12 LEU 109 2HD1 LEU 109 -4.646 11.759 9.653 865 HD13 LEU 109 3HD1 LEU 109 -5.300 11.928 8.024 866 HD21 LEU 109 3HD2 LEU 109 -2.332 13.445 9.418 867 HD22 LEU 109 1HD2 LEU 109 -1.138 12.535 8.494 868 HD23 LEU 109 2HD2 LEU 109 -1.943 11.786 9.873 869 H VAL 110 H VAL 110 -2.212 8.065 5.472 870 HA VAL 110 HA VAL 110 -1.318 6.073 7.440 871 HB VAL 110 HB VAL 110 -2.929 5.642 4.920 872 HG11 VAL 110 1HG1 VAL 110 -1.727 3.834 6.922 873 HG12 VAL 110 2HG1 VAL 110 -3.377 3.461 6.417 874 HG13 VAL 110 3HG1 VAL 110 -2.087 3.564 5.217 875 HG21 VAL 110 3HG2 VAL 110 -3.934 6.925 6.971 876 HG22 VAL 110 1HG2 VAL 110 -4.865 5.663 6.163 877 HG23 VAL 110 2HG2 VAL 110 -4.027 5.310 7.675 878 H LEU 111 H LEU 111 -0.596 7.469 4.364 879 HA LEU 111 HA LEU 111 1.036 5.376 3.348 880 HB2 LEU 111 1HB LEU 111 0.877 8.316 2.730 881 HB3 LEU 111 2HB LEU 111 1.955 7.212 1.878 882 HG LEU 111 HG LEU 111 -1.056 7.014 1.929 883 HD11 LEU 111 1HD1 LEU 111 -1.007 8.611 0.385 884 HD12 LEU 111 2HD1 LEU 111 -0.172 7.465 -0.664 885 HD13 LEU 111 3HD1 LEU 111 0.756 8.593 0.324 886 HD21 LEU 111 3HD2 LEU 111 -0.403 5.491 -0.105 887 HD22 LEU 111 1HD2 LEU 111 -0.398 4.852 1.539 888 HD23 LEU 111 2HD2 LEU 111 1.118 5.333 0.775 889 H ILE 112 H ILE 112 1.692 8.293 5.233 890 HA ILE 112 HA ILE 112 4.469 8.257 5.187 891 HB ILE 112 HB ILE 112 2.437 9.341 7.057 892 HG12 ILE 112 1HG1 ILE 112 4.914 10.571 5.834 893 HG13 ILE 112 2HG1 ILE 112 3.338 10.549 5.050 894 HG21 ILE 112 1HG2 ILE 112 3.765 8.602 8.783 895 HG22 ILE 112 2HG2 ILE 112 5.245 8.702 7.831 896 HG23 ILE 112 3HG2 ILE 112 4.491 10.173 8.446 897 HD11 ILE 112 3HD1 ILE 112 4.156 11.998 7.544 898 HD12 ILE 112 1HD1 ILE 112 3.544 12.668 6.032 899 HD13 ILE 112 2HD1 ILE 112 2.467 11.759 7.094 900 HA PRO 113 HA PRO 113 4.406 5.496 9.154 901 HB2 PRO 113 1HB PRO 113 2.038 4.357 9.837 902 HB3 PRO 113 2HB PRO 113 2.547 5.943 10.428 903 HG2 PRO 113 1HG PRO 113 0.684 5.267 8.184 904 HG3 PRO 113 2HG PRO 113 0.522 6.511 9.437 905 HD2 PRO 113 1HD PRO 113 1.353 7.076 6.923 906 HD3 PRO 113 2HD PRO 113 1.924 7.976 8.342 907 H LEU 114 H LEU 114 2.222 4.606 6.531 908 HA LEU 114 HA LEU 114 2.339 1.852 6.645 909 HB2 LEU 114 1HB LEU 114 0.880 2.861 5.089 910 HB3 LEU 114 2HB LEU 114 2.196 3.736 4.310 911 HG LEU 114 HG LEU 114 3.054 1.396 3.636 912 HD11 LEU 114 1HD1 LEU 114 1.473 -0.357 3.518 913 HD12 LEU 114 2HD1 LEU 114 0.155 0.697 4.028 914 HD13 LEU 114 3HD1 LEU 114 1.418 0.247 5.174 915 HD21 LEU 114 3HD2 LEU 114 1.669 1.426 1.631 916 HD22 LEU 114 1HD2 LEU 114 2.163 3.059 2.079 917 HD23 LEU 114 2HD2 LEU 114 0.524 2.508 2.425 918 H ARG 115 H ARG 115 4.563 4.038 4.926 919 HA ARG 115 HA ARG 115 6.283 2.025 3.971 920 HB2 ARG 115 1HB ARG 115 6.273 4.274 3.027 921 HB3 ARG 115 2HB ARG 115 6.847 4.937 4.551 922 HG2 ARG 115 1HG ARG 115 8.429 2.880 3.055 923 HG3 ARG 115 2HG ARG 115 8.537 4.597 2.661 924 HD2 ARG 115 1HD ARG 115 8.890 4.812 5.269 925 HD3 ARG 115 2HD ARG 115 9.427 3.141 5.098 926 HE ARG 115 HE ARG 115 11.327 3.894 4.068 927 HH11 ARG 115 1HH1 ARG 115 8.966 6.452 4.120 928 HH12 ARG 115 2HH1 ARG 115 10.066 7.656 3.533 929 HH21 ARG 115 1HH2 ARG 115 12.784 5.469 3.295 930 HH22 ARG 115 2HH2 ARG 115 12.237 7.095 3.063 931 H GLN 116 H GLN 116 6.410 4.046 6.883 932 HA GLN 116 HA GLN 116 8.876 3.244 7.869 933 HB2 GLN 116 1HB GLN 116 6.351 4.127 9.247 934 HB3 GLN 116 2HB GLN 116 7.805 3.732 10.154 935 HG2 GLN 116 1HG GLN 116 8.955 5.421 8.563 936 HG3 GLN 116 2HG GLN 116 7.313 5.987 8.262 937 HE21 GLN 116 1HE2 GLN 116 8.740 7.863 9.239 938 HE22 GLN 116 2HE2 GLN 116 8.510 8.105 10.934 939 H ARG 117 H ARG 117 5.751 1.651 8.043 940 HA ARG 117 HA ARG 117 6.512 -0.333 9.930 941 HB2 ARG 117 1HB ARG 117 4.276 -0.211 7.905 942 HB3 ARG 117 2HB ARG 117 4.474 -1.538 9.041 943 HG2 ARG 117 1HG ARG 117 4.370 1.246 10.087 944 HG3 ARG 117 2HG ARG 117 2.876 0.463 9.569 945 HD2 ARG 117 1HD ARG 117 3.249 -1.359 11.107 946 HD3 ARG 117 2HD ARG 117 4.824 -0.703 11.552 947 HE ARG 117 HE ARG 117 2.292 0.079 12.592 948 HH11 ARG 117 1HH1 ARG 117 5.463 1.267 11.782 949 HH12 ARG 117 2HH1 ARG 117 5.414 2.563 12.930 950 HH21 ARG 117 1HH2 ARG 117 2.215 1.782 14.108 951 HH22 ARG 117 2HH2 ARG 117 3.566 2.855 14.253 952 H LEU 118 H LEU 118 5.985 -0.546 6.405 953 HA LEU 118 HA LEU 118 6.684 -3.072 5.840 954 HB2 LEU 118 1HB LEU 118 7.725 -0.657 4.366 955 HB3 LEU 118 2HB LEU 118 7.640 -2.295 3.722 956 HG LEU 118 HG LEU 118 5.174 -0.836 4.617 957 HD11 LEU 118 1HD1 LEU 118 5.137 0.482 2.828 958 HD12 LEU 118 2HD1 LEU 118 5.589 -0.843 1.756 959 HD13 LEU 118 3HD1 LEU 118 6.838 0.078 2.595 960 HD21 LEU 118 3HD2 LEU 118 4.863 -3.177 4.298 961 HD22 LEU 118 1HD2 LEU 118 5.735 -3.144 2.765 962 HD23 LEU 118 2HD2 LEU 118 4.163 -2.355 2.902 963 H GLU 119 H GLU 119 9.081 -0.458 6.213 964 HA GLU 119 HA GLU 119 11.376 -1.985 5.908 965 HB2 GLU 119 1HB GLU 119 10.887 0.471 7.595 966 HB3 GLU 119 2HB GLU 119 12.483 -0.216 7.322 967 HG2 GLU 119 1HG GLU 119 12.165 0.112 4.894 968 HG3 GLU 119 2HG GLU 119 10.626 0.901 5.234 969 H GLU 120 H GLU 120 9.418 -1.416 8.790 970 HA GLU 120 HA GLU 120 11.049 -2.481 10.743 971 HB2 GLU 120 1HB GLU 120 8.731 -1.400 10.967 972 HB3 GLU 120 2HB GLU 120 8.086 -3.007 10.668 973 HG2 GLU 120 1HG GLU 120 8.860 -3.842 12.668 974 HG3 GLU 120 2HG GLU 120 10.112 -2.610 12.818 975 H ARG 121 H ARG 121 9.130 -4.133 8.325 976 HA ARG 121 HA ARG 121 9.461 -6.737 9.491 977 HB2 ARG 121 1HB ARG 121 8.491 -5.834 6.777 978 HB3 ARG 121 2HB ARG 121 8.540 -7.517 7.282 979 HG2 ARG 121 1HG ARG 121 7.118 -5.580 9.024 980 HG3 ARG 121 2HG ARG 121 6.357 -6.059 7.505 981 HD2 ARG 121 1HD ARG 121 5.527 -7.674 8.894 982 HD3 ARG 121 2HD ARG 121 6.997 -8.473 8.338 983 HE ARG 121 HE ARG 121 7.681 -8.493 10.504 984 HH11 ARG 121 1HH1 ARG 121 5.505 -5.809 10.077 985 HH12 ARG 121 2HH1 ARG 121 5.572 -5.322 11.739 986 HH21 ARG 121 1HH2 ARG 121 7.777 -7.862 12.694 987 HH22 ARG 121 2HH2 ARG 121 6.866 -6.490 13.226 988 H GLN 122 H GLN 122 11.052 -4.843 6.992 989 HA GLN 122 HA GLN 122 12.595 -6.803 5.782 990 HB2 GLN 122 1HB GLN 122 12.471 -4.529 4.924 991 HB3 GLN 122 2HB GLN 122 13.304 -3.920 6.348 992 HG2 GLN 122 1HG GLN 122 14.539 -5.899 4.457 993 HG3 GLN 122 2HG GLN 122 14.688 -4.153 4.260 994 HE21 GLN 122 1HE2 GLN 122 16.548 -6.479 4.988 995 HE22 GLN 122 2HE2 GLN 122 17.427 -5.876 6.348 996 H ARG 123 H ARG 123 13.531 -4.700 8.507 997 HA ARG 123 HA ARG 123 16.011 -5.885 9.003 998 HB2 ARG 123 1HB ARG 123 16.045 -4.686 11.027 999 HB3 ARG 123 2HB ARG 123 15.067 -3.705 9.944 1000 HG2 ARG 123 1HG ARG 123 13.036 -4.722 10.975 1001 HG3 ARG 123 2HG ARG 123 14.096 -5.501 12.151 1002 HD2 ARG 123 1HD ARG 123 14.189 -2.539 11.704 1003 HD3 ARG 123 2HD ARG 123 12.986 -3.258 12.774 1004 HE ARG 123 HE ARG 123 14.648 -3.717 14.303 1005 HH11 ARG 123 1HH1 ARG 123 16.051 -2.671 11.294 1006 HH12 ARG 123 2HH1 ARG 123 17.644 -2.488 11.950 1007 HH21 ARG 123 1HH2 ARG 123 16.741 -3.480 15.179 1008 HH22 ARG 123 2HH2 ARG 123 18.036 -2.949 14.160 1009 H ARG 124 H ARG 124 12.839 -6.550 10.464 1010 HA ARG 124 HA ARG 124 13.409 -8.366 12.378 1011 HB2 ARG 124 1HB ARG 124 11.174 -8.132 10.428 1012 HB3 ARG 124 2HB ARG 124 11.283 -9.622 11.357 1013 HG2 ARG 124 1HG ARG 124 11.473 -7.049 12.824 1014 HG3 ARG 124 2HG ARG 124 9.897 -7.546 12.205 1015 HD2 ARG 124 1HD ARG 124 11.689 -9.160 14.016 1016 HD3 ARG 124 2HD ARG 124 10.222 -8.310 14.498 1017 HE ARG 124 HE ARG 124 9.462 -10.014 12.478 1018 HH11 ARG 124 1HH1 ARG 124 10.940 -10.322 15.615 1019 HH12 ARG 124 2HH1 ARG 124 10.278 -11.894 15.917 1020 HH21 ARG 124 1HH2 ARG 124 8.584 -12.084 12.864 1021 HH22 ARG 124 2HH2 ARG 124 8.939 -12.896 14.352 1022 H ARG 125 H ARG 125 14.342 -10.304 12.536 1023 HA ARG 125 HA ARG 125 15.391 -11.555 10.151 1024 HB2 ARG 125 1HB ARG 125 15.687 -12.119 13.096 1025 HB3 ARG 125 2HB ARG 125 16.356 -13.185 11.868 1026 HG2 ARG 125 1HG ARG 125 17.003 -10.261 11.910 1027 HG3 ARG 125 2HG ARG 125 17.888 -11.420 12.904 1028 HD2 ARG 125 1HD ARG 125 18.607 -12.631 10.977 1029 HD3 ARG 125 2HD ARG 125 17.541 -11.700 9.926 1030 HE ARG 125 HE ARG 125 19.229 -9.873 11.120 1031 HH11 ARG 125 1HH1 ARG 125 19.542 -12.657 9.053 1032 HH12 ARG 125 2HH1 ARG 125 20.979 -12.081 8.277 1033 HH21 ARG 125 1HH2 ARG 125 21.121 -9.104 10.105 1034 HH22 ARG 125 2HH2 ARG 125 21.878 -10.061 8.876 1035 H LYS 126 H LYS 126 13.239 -12.082 9.289 1036 HA LYS 126 HA LYS 126 11.699 -14.122 10.625 1037 HB2 LYS 126 1HB LYS 126 11.450 -12.542 8.115 1038 HB3 LYS 126 2HB LYS 126 10.604 -14.083 8.189 1039 HG2 LYS 126 1HG LYS 126 10.308 -11.940 10.277 1040 HG3 LYS 126 2HG LYS 126 9.265 -12.070 8.859 1041 HD2 LYS 126 1HD LYS 126 9.663 -14.469 10.585 1042 HD3 LYS 126 2HD LYS 126 8.588 -13.185 11.142 1043 HE2 LYS 126 1HE LYS 126 8.327 -14.322 8.382 1044 HE3 LYS 126 2HE LYS 126 7.602 -15.139 9.766 1045 HZ1 LYS 126 3HZ LYS 126 6.414 -13.063 10.271 1046 HZ2 LYS 126 1HZ LYS 126 6.001 -13.688 8.754 1047 HZ3 LYS 126 2HZ LYS 126 7.047 -12.364 8.867 1048 H GLN 127 H GLN 127 11.763 -16.269 10.298 1049 HA GLN 127 HA GLN 127 13.594 -17.269 8.218 1050 HB2 GLN 127 1HB GLN 127 14.080 -17.574 10.793 1051 HB3 GLN 127 2HB GLN 127 12.930 -18.895 10.635 1052 HG2 GLN 127 1HG GLN 127 15.327 -18.624 8.849 1053 HG3 GLN 127 2HG GLN 127 15.379 -19.473 10.393 1054 HE21 GLN 127 1HE2 GLN 127 14.424 -21.456 10.588 1055 HE22 GLN 127 2HE2 GLN 127 13.789 -22.340 9.247 Start of MODEL 2 1 H1 GLY 1 H GLY 1 21.042 13.101 -2.181 2 HA2 GLY 1 1HA GLY 1 20.102 14.316 -0.456 3 HA3 GLY 1 2HA GLY 1 19.476 12.812 0.204 4 H SER 2 H SER 2 20.098 14.002 2.229 5 HA SER 2 HA SER 2 22.955 13.613 2.833 6 HB2 SER 2 1HB SER 2 22.422 15.913 3.143 7 HB3 SER 2 2HB SER 2 20.923 15.526 3.987 8 HG SER 2 HG SER 2 23.427 15.787 4.973 9 H SER 3 H SER 3 23.471 12.033 4.187 10 HA SER 3 HA SER 3 21.343 10.682 5.660 11 HB2 SER 3 1HB SER 3 24.228 9.845 5.293 12 HB3 SER 3 2HB SER 3 22.918 8.853 5.931 13 HG SER 3 HG SER 3 23.567 9.449 3.334 14 H GLY 4 H GLY 4 20.942 11.746 7.526 15 HA2 GLY 4 1HA GLY 4 22.703 11.483 9.700 16 HA3 GLY 4 2HA GLY 4 22.832 13.123 9.081 17 H SER 5 H SER 5 21.378 11.326 11.370 18 HA SER 5 HA SER 5 19.370 13.351 11.854 19 HB2 SER 5 1HB SER 5 18.553 10.456 11.501 20 HB3 SER 5 2HB SER 5 17.499 11.770 12.023 21 HG SER 5 HG SER 5 18.267 12.752 9.904 22 H SER 6 H SER 6 18.200 12.892 13.959 23 HA SER 6 HA SER 6 20.166 11.875 15.876 24 HB2 SER 6 1HB SER 6 18.772 13.098 17.561 25 HB3 SER 6 2HB SER 6 19.441 14.139 16.304 26 HG SER 6 HG SER 6 17.243 14.594 16.656 27 H GLY 7 H GLY 7 16.700 11.648 15.122 28 HA2 GLY 7 1HA GLY 7 16.315 8.987 15.370 29 HA3 GLY 7 2HA GLY 7 16.311 9.521 17.045 30 H MET 8 H MET 8 14.729 9.969 13.915 31 HA MET 8 HA MET 8 12.633 10.655 13.347 32 HB2 MET 8 1HB MET 8 12.180 9.182 15.927 33 HB3 MET 8 2HB MET 8 10.837 9.908 15.054 34 HG2 MET 8 1HG MET 8 11.408 8.569 13.084 35 HG3 MET 8 2HG MET 8 12.729 7.827 13.984 36 HE1 MET 8 3HE MET 8 10.582 4.850 13.726 37 HE2 MET 8 1HE MET 8 12.010 5.766 13.244 38 HE3 MET 8 2HE MET 8 11.926 5.044 14.851 39 H ALA 9 H ALA 9 14.143 12.703 14.392 40 HA ALA 9 HA ALA 9 12.197 14.205 16.020 41 HB1 ALA 9 3HB ALA 9 14.682 15.518 16.121 42 HB2 ALA 9 1HB ALA 9 13.865 14.641 17.415 43 HB3 ALA 9 2HB ALA 9 15.009 13.803 16.367 44 H SER 10 H SER 10 11.015 15.097 14.352 45 HA SER 10 HA SER 10 12.165 17.392 13.083 46 HB2 SER 10 1HB SER 10 12.868 15.485 11.580 47 HB3 SER 10 2HB SER 10 11.158 15.212 11.245 48 HG SER 10 HG SER 10 11.382 16.696 9.786 49 H SER 11 H SER 11 10.518 18.513 11.677 50 HA SER 11 HA SER 11 7.924 18.326 12.995 51 HB2 SER 11 1HB SER 11 9.198 20.418 11.232 52 HB3 SER 11 2HB SER 11 7.504 20.495 11.714 53 HG SER 11 HG SER 11 8.135 21.242 13.561 54 H VAL 12 H VAL 12 5.948 18.612 11.664 55 HA VAL 12 HA VAL 12 6.163 17.034 9.187 56 HB VAL 12 HB VAL 12 3.722 17.402 10.926 57 HG11 VAL 12 1HG1 VAL 12 2.592 16.495 9.246 58 HG12 VAL 12 2HG1 VAL 12 4.066 16.431 8.278 59 HG13 VAL 12 3HG1 VAL 12 3.630 15.072 9.314 60 HG21 VAL 12 3HG2 VAL 12 4.272 14.846 11.289 61 HG22 VAL 12 1HG2 VAL 12 5.917 15.396 10.966 62 HG23 VAL 12 2HG2 VAL 12 5.000 16.094 12.301 63 H ASP 13 H ASP 13 6.626 19.855 9.232 64 HA ASP 13 HA ASP 13 4.471 21.463 8.591 65 HB2 ASP 13 1HB ASP 13 6.881 22.172 8.891 66 HB3 ASP 13 2HB ASP 13 7.167 21.630 7.240 67 H GLU 14 H GLU 14 4.205 22.448 6.283 68 HA GLU 14 HA GLU 14 2.926 20.578 4.681 69 HB2 GLU 14 1HB GLU 14 4.098 23.229 3.822 70 HB3 GLU 14 2HB GLU 14 2.873 22.317 2.951 71 HG2 GLU 14 1HG GLU 14 2.354 23.110 5.772 72 HG3 GLU 14 2HG GLU 14 2.214 24.316 4.495 73 H GLU 15 H GLU 15 6.253 21.185 5.008 74 HA GLU 15 HA GLU 15 7.055 20.356 2.382 75 HB2 GLU 15 1HB GLU 15 9.297 20.493 3.194 76 HB3 GLU 15 2HB GLU 15 8.410 21.846 3.880 77 HG2 GLU 15 1HG GLU 15 9.631 21.080 5.675 78 HG3 GLU 15 2HG GLU 15 8.069 20.298 5.914 79 H ALA 16 H ALA 16 6.849 18.825 5.564 80 HA ALA 16 HA ALA 16 8.081 16.416 5.087 81 HB1 ALA 16 3HB ALA 16 6.633 17.450 7.140 82 HB2 ALA 16 1HB ALA 16 5.566 16.164 6.574 83 HB3 ALA 16 2HB ALA 16 7.220 15.788 7.062 84 H LEU 17 H LEU 17 4.794 17.386 4.215 85 HA LEU 17 HA LEU 17 3.737 14.982 3.392 86 HB2 LEU 17 1HB LEU 17 3.383 17.771 2.344 87 HB3 LEU 17 2HB LEU 17 2.491 16.409 1.666 88 HG LEU 17 HG LEU 17 2.328 17.467 4.486 89 HD11 LEU 17 1HD1 LEU 17 0.363 17.395 2.202 90 HD12 LEU 17 2HD1 LEU 17 1.114 18.823 2.912 91 HD13 LEU 17 3HD1 LEU 17 -0.030 17.868 3.855 92 HD21 LEU 17 3HD2 LEU 17 2.152 15.102 4.649 93 HD22 LEU 17 1HD2 LEU 17 1.113 15.017 3.226 94 HD23 LEU 17 2HD2 LEU 17 0.511 15.748 4.714 95 H HIS 18 H HIS 18 5.465 17.317 1.320 96 HA HIS 18 HA HIS 18 5.514 15.867 -1.020 97 HB2 HIS 18 1HB HIS 18 6.314 18.194 -0.809 98 HB3 HIS 18 2HB HIS 18 7.736 17.618 0.055 99 HD1 HIS 18 1HD HIS 18 9.261 18.619 -1.802 100 HD2 HIS 18 2HD HIS 18 6.678 15.640 -3.112 101 HE1 HIS 18 1HE HIS 18 10.098 17.957 -4.079 102 HE2 HIS 18 2HE HIS 18 8.469 16.214 -4.887 103 H GLN 19 H GLN 19 8.006 15.849 1.530 104 HA GLN 19 HA GLN 19 9.834 14.121 0.568 105 HB2 GLN 19 1HB GLN 19 8.697 14.430 3.322 106 HB3 GLN 19 2HB GLN 19 9.891 13.178 3.011 107 HG2 GLN 19 1HG GLN 19 10.299 16.101 2.428 108 HG3 GLN 19 2HG GLN 19 10.844 15.284 3.892 109 HE21 GLN 19 1HE2 GLN 19 12.789 16.442 2.677 110 HE22 GLN 19 2HE2 GLN 19 13.756 15.360 1.740 111 H LEU 20 H LEU 20 6.666 13.236 1.846 112 HA LEU 20 HA LEU 20 7.082 10.423 1.666 113 HB2 LEU 20 1HB LEU 20 5.424 11.040 3.167 114 HB3 LEU 20 2HB LEU 20 4.701 12.192 2.046 115 HG LEU 20 HG LEU 20 3.973 10.170 0.682 116 HD11 LEU 20 1HD1 LEU 20 3.777 8.065 1.901 117 HD12 LEU 20 2HD1 LEU 20 4.662 8.762 3.257 118 HD13 LEU 20 3HD1 LEU 20 5.466 8.536 1.704 119 HD21 LEU 20 3HD2 LEU 20 1.979 9.905 1.949 120 HD22 LEU 20 1HD2 LEU 20 2.524 11.566 2.182 121 HD23 LEU 20 2HD2 LEU 20 2.792 10.365 3.445 122 H TYR 21 H TYR 21 5.711 12.863 -0.471 123 HA TYR 21 HA TYR 21 4.609 11.115 -2.383 124 HB2 TYR 21 1HB TYR 21 5.412 13.988 -2.350 125 HB3 TYR 21 2HB TYR 21 5.106 13.231 -3.909 126 HD1 TYR 21 1HD TYR 21 3.569 13.882 -0.587 127 HD2 TYR 21 2HD TYR 21 2.912 12.957 -4.688 128 HE1 TYR 21 1HE TYR 21 1.155 14.229 -0.272 129 HE2 TYR 21 2HE TYR 21 0.496 13.303 -4.384 130 HH TYR 21 HH TYR 21 -1.139 13.165 -2.336 131 H LEU 22 H LEU 22 7.769 12.734 -2.237 132 HA LEU 22 HA LEU 22 8.833 11.900 -4.643 133 HB2 LEU 22 1HB LEU 22 10.078 12.436 -1.970 134 HB3 LEU 22 2HB LEU 22 11.059 11.929 -3.344 135 HG LEU 22 HG LEU 22 9.338 14.408 -3.273 136 HD11 LEU 22 1HD1 LEU 22 11.791 15.385 -3.393 137 HD12 LEU 22 2HD1 LEU 22 12.168 13.892 -2.533 138 HD13 LEU 22 3HD1 LEU 22 11.007 15.032 -1.853 139 HD21 LEU 22 3HD2 LEU 22 11.350 13.389 -5.275 140 HD22 LEU 22 1HD2 LEU 22 10.623 14.995 -5.302 141 HD23 LEU 22 2HD2 LEU 22 9.612 13.566 -5.516 142 H TRP 23 H TRP 23 8.853 10.196 -1.530 143 HA TRP 23 HA TRP 23 10.404 8.016 -2.153 144 HB2 TRP 23 1HB TRP 23 9.670 8.183 0.077 145 HB3 TRP 23 2HB TRP 23 7.977 8.297 -0.396 146 HD1 TRP 23 HD TRP 23 10.753 5.602 -0.854 147 HE1 TRP 23 1HE TRP 23 9.710 3.309 -0.325 148 HE3 TRP 23 3HE TRP 23 5.990 7.108 0.235 149 HZ2 TRP 23 2HZ TRP 23 7.200 2.276 0.451 150 HZ3 TRP 23 3HZ TRP 23 4.329 5.405 0.862 151 HH2 TRP 23 HH TRP 23 4.923 3.039 0.966 152 H VAL 24 H VAL 24 7.129 8.710 -3.156 153 HA VAL 24 HA VAL 24 6.468 6.117 -4.091 154 HB VAL 24 HB VAL 24 5.379 8.806 -4.934 155 HG11 VAL 24 1HG1 VAL 24 3.500 6.706 -5.266 156 HG12 VAL 24 2HG1 VAL 24 4.202 7.758 -6.496 157 HG13 VAL 24 3HG1 VAL 24 4.993 6.237 -6.080 158 HG21 VAL 24 3HG2 VAL 24 4.847 8.602 -2.683 159 HG22 VAL 24 1HG2 VAL 24 3.429 7.920 -3.479 160 HG23 VAL 24 2HG2 VAL 24 4.649 6.853 -2.784 161 H ASP 25 H ASP 25 7.556 9.041 -5.814 162 HA ASP 25 HA ASP 25 7.629 8.181 -8.386 163 HB2 ASP 25 1HB ASP 25 8.327 10.433 -7.660 164 HB3 ASP 25 2HB ASP 25 9.824 9.757 -7.024 165 H ASN 26 H ASN 26 10.220 7.646 -6.002 166 HA ASN 26 HA ASN 26 12.046 6.294 -7.516 167 HB2 ASN 26 1HB ASN 26 12.529 6.800 -5.219 168 HB3 ASN 26 2HB ASN 26 11.208 5.778 -4.659 169 HD21 ASN 26 1HD2 ASN 26 12.364 4.377 -3.449 170 HD22 ASN 26 2HD2 ASN 26 13.557 3.301 -4.086 171 H ILE 27 H ILE 27 9.055 5.035 -6.143 172 HA ILE 27 HA ILE 27 9.591 2.374 -7.199 173 HB ILE 27 HB ILE 27 7.223 3.433 -5.652 174 HG12 ILE 27 1HG1 ILE 27 9.449 1.578 -4.781 175 HG13 ILE 27 2HG1 ILE 27 9.388 3.298 -4.411 176 HG21 ILE 27 1HG2 ILE 27 6.163 1.475 -5.908 177 HG22 ILE 27 2HG2 ILE 27 7.208 1.275 -7.314 178 HG23 ILE 27 3HG2 ILE 27 7.652 0.540 -5.774 179 HD11 ILE 27 3HD1 ILE 27 8.628 2.079 -2.510 180 HD12 ILE 27 1HD1 ILE 27 7.243 2.902 -3.227 181 HD13 ILE 27 2HD1 ILE 27 7.475 1.173 -3.488 182 HA PRO 28 HA PRO 28 7.474 3.211 -10.996 183 HB2 PRO 28 1HB PRO 28 7.282 0.640 -11.847 184 HB3 PRO 28 2HB PRO 28 8.790 1.560 -11.903 185 HG2 PRO 28 1HG PRO 28 7.875 -0.457 -9.889 186 HG3 PRO 28 2HG PRO 28 9.474 -0.263 -10.631 187 HD2 PRO 28 1HD PRO 28 8.903 0.639 -8.142 188 HD3 PRO 28 2HD PRO 28 10.063 1.455 -9.211 189 H LEU 29 H LEU 29 5.481 3.937 -10.137 190 HA LEU 29 HA LEU 29 3.471 1.875 -9.573 191 HB2 LEU 29 1HB LEU 29 3.701 4.785 -8.925 192 HB3 LEU 29 2HB LEU 29 2.122 4.002 -8.926 193 HG LEU 29 HG LEU 29 4.444 3.078 -7.240 194 HD11 LEU 29 1HD1 LEU 29 3.099 5.457 -6.921 195 HD12 LEU 29 2HD1 LEU 29 3.961 4.575 -5.661 196 HD13 LEU 29 3HD1 LEU 29 2.223 4.352 -5.862 197 HD21 LEU 29 3HD2 LEU 29 1.640 2.533 -6.513 198 HD22 LEU 29 1HD2 LEU 29 3.068 1.504 -6.395 199 HD23 LEU 29 2HD2 LEU 29 2.244 1.694 -7.943 200 H SER 30 H SER 30 1.332 2.096 -10.500 201 HA SER 30 HA SER 30 1.454 3.190 -13.227 202 HB2 SER 30 1HB SER 30 1.049 0.795 -13.163 203 HB3 SER 30 2HB SER 30 -0.304 1.021 -12.054 204 HG SER 30 HG SER 30 -1.347 0.987 -13.912 205 H ARG 31 H ARG 31 0.315 4.948 -13.671 206 HA ARG 31 HA ARG 31 -2.338 5.390 -12.845 207 HB2 ARG 31 1HB ARG 31 -2.129 7.132 -11.240 208 HB3 ARG 31 2HB ARG 31 -1.115 5.810 -10.677 209 HG2 ARG 31 1HG ARG 31 0.140 7.927 -12.339 210 HG3 ARG 31 2HG ARG 31 -0.275 8.305 -10.665 211 HD2 ARG 31 1HD ARG 31 1.933 7.527 -10.570 212 HD3 ARG 31 2HD ARG 31 0.953 6.155 -10.056 213 HE ARG 31 HE ARG 31 1.584 5.019 -11.956 214 HH11 ARG 31 1HH1 ARG 31 2.549 8.355 -12.195 215 HH12 ARG 31 2HH1 ARG 31 3.532 8.106 -13.600 216 HH21 ARG 31 1HH2 ARG 31 2.875 4.678 -13.806 217 HH22 ARG 31 2HH2 ARG 31 3.716 6.014 -14.516 218 HA PRO 32 HA PRO 32 -2.031 8.102 -16.294 219 HB2 PRO 32 1HB PRO 32 -4.291 9.560 -15.921 220 HB3 PRO 32 2HB PRO 32 -4.310 7.884 -16.483 221 HG2 PRO 32 1HG PRO 32 -4.773 8.965 -13.729 222 HG3 PRO 32 2HG PRO 32 -5.657 7.695 -14.596 223 HD2 PRO 32 1HD PRO 32 -3.787 7.144 -12.717 224 HD3 PRO 32 2HD PRO 32 -4.074 6.090 -14.116 225 H LYS 33 H LYS 33 -1.742 10.328 -16.877 226 HA LYS 33 HA LYS 33 -0.017 11.827 -15.507 227 HB2 LYS 33 1HB LYS 33 -2.298 13.288 -16.789 228 HB3 LYS 33 2HB LYS 33 -0.580 13.663 -16.827 229 HG2 LYS 33 1HG LYS 33 -0.830 12.880 -18.940 230 HG3 LYS 33 2HG LYS 33 -0.477 11.357 -18.119 231 HD2 LYS 33 1HD LYS 33 -3.103 11.332 -17.807 232 HD3 LYS 33 2HD LYS 33 -3.044 12.374 -19.230 233 HE2 LYS 33 1HE LYS 33 -1.703 9.681 -19.042 234 HE3 LYS 33 2HE LYS 33 -3.303 9.942 -19.735 235 HZ1 LYS 33 3HZ LYS 33 -0.682 10.812 -20.758 236 HZ2 LYS 33 1HZ LYS 33 -2.084 11.647 -21.203 237 HZ3 LYS 33 2HZ LYS 33 -1.928 10.003 -21.567 238 H ARG 34 H ARG 34 -3.538 12.059 -15.072 239 HA ARG 34 HA ARG 34 -3.841 14.079 -13.324 240 HB2 ARG 34 1HB ARG 34 -5.728 12.739 -13.985 241 HB3 ARG 34 2HB ARG 34 -5.083 11.332 -13.150 242 HG2 ARG 34 1HG ARG 34 -5.700 12.097 -11.085 243 HG3 ARG 34 2HG ARG 34 -5.633 13.792 -11.573 244 HD2 ARG 34 1HD ARG 34 -7.925 13.248 -11.271 245 HD3 ARG 34 2HD ARG 34 -7.646 13.352 -13.009 246 HE ARG 34 HE ARG 34 -7.301 10.713 -12.439 247 HH11 ARG 34 1HH1 ARG 34 -9.850 13.019 -11.882 248 HH12 ARG 34 2HH1 ARG 34 -11.114 11.837 -11.958 249 HH21 ARG 34 1HH2 ARG 34 -8.957 9.147 -12.541 250 HH22 ARG 34 2HH2 ARG 34 -10.605 9.634 -12.332 251 H ASN 35 H ASN 35 -3.423 14.566 -11.223 252 HA ASN 35 HA ASN 35 -1.240 13.766 -9.896 253 HB2 ASN 35 1HB ASN 35 -3.146 15.485 -9.258 254 HB3 ASN 35 2HB ASN 35 -3.670 14.175 -8.205 255 HD21 ASN 35 1HD2 ASN 35 -2.461 13.637 -6.432 256 HD22 ASN 35 2HD2 ASN 35 -1.129 14.586 -5.874 257 H LEU 36 H LEU 36 -0.553 12.148 -8.570 258 HA LEU 36 HA LEU 36 -1.728 9.605 -8.813 259 HB2 LEU 36 1HB LEU 36 -0.082 8.900 -7.130 260 HB3 LEU 36 2HB LEU 36 0.633 9.854 -8.428 261 HG LEU 36 HG LEU 36 0.278 11.816 -6.680 262 HD11 LEU 36 1HD1 LEU 36 1.043 9.802 -4.684 263 HD12 LEU 36 2HD1 LEU 36 -0.655 9.785 -5.158 264 HD13 LEU 36 3HD1 LEU 36 0.066 11.260 -4.515 265 HD21 LEU 36 3HD2 LEU 36 2.597 10.288 -5.854 266 HD22 LEU 36 1HD2 LEU 36 2.504 11.828 -6.709 267 HD23 LEU 36 2HD2 LEU 36 2.412 10.313 -7.608 268 H SER 37 H SER 37 -1.754 11.964 -6.172 269 HA SER 37 HA SER 37 -2.841 10.664 -4.092 270 HB2 SER 37 1HB SER 37 -2.441 13.097 -4.118 271 HB3 SER 37 2HB SER 37 -3.863 13.317 -5.138 272 HG SER 37 HG SER 37 -4.731 13.586 -3.207 273 H ARG 38 H ARG 38 -4.643 11.708 -6.959 274 HA ARG 38 HA ARG 38 -7.190 10.899 -6.100 275 HB2 ARG 38 1HB ARG 38 -6.488 12.329 -8.148 276 HB3 ARG 38 2HB ARG 38 -6.340 10.786 -8.978 277 HG2 ARG 38 1HG ARG 38 -8.855 11.523 -7.532 278 HG3 ARG 38 2HG ARG 38 -8.543 12.084 -9.176 279 HD2 ARG 38 1HD ARG 38 -8.431 9.860 -10.002 280 HD3 ARG 38 2HD ARG 38 -8.399 9.188 -8.372 281 HE ARG 38 HE ARG 38 -10.761 10.500 -8.449 282 HH11 ARG 38 1HH1 ARG 38 -9.269 8.140 -10.530 283 HH12 ARG 38 2HH1 ARG 38 -10.773 7.449 -11.042 284 HH21 ARG 38 1HH2 ARG 38 -12.747 9.599 -9.116 285 HH22 ARG 38 2HH2 ARG 38 -12.751 8.281 -10.238 286 H ASP 39 H ASP 39 -4.735 9.189 -8.013 287 HA ASP 39 HA ASP 39 -6.223 6.831 -8.410 288 HB2 ASP 39 1HB ASP 39 -3.973 7.680 -9.487 289 HB3 ASP 39 2HB ASP 39 -3.240 6.747 -8.184 290 H PHE 40 H PHE 40 -3.818 7.701 -5.947 291 HA PHE 40 HA PHE 40 -3.641 5.308 -4.588 292 HB2 PHE 40 1HB PHE 40 -3.312 8.164 -3.824 293 HB3 PHE 40 2HB PHE 40 -3.430 6.989 -2.518 294 HD1 PHE 40 2HD PHE 40 -1.638 7.457 -5.758 295 HD2 PHE 40 1HD PHE 40 -1.487 6.055 -1.742 296 HE1 PHE 40 2HE PHE 40 0.743 6.911 -6.042 297 HE2 PHE 40 1HE PHE 40 0.896 5.507 -2.020 298 HZ PHE 40 HZ PHE 40 2.014 5.933 -4.172 299 H SER 41 H SER 41 -6.187 7.708 -4.504 300 HA SER 41 HA SER 41 -7.598 7.283 -2.274 301 HB2 SER 41 1HB SER 41 -8.476 8.719 -3.997 302 HB3 SER 41 2HB SER 41 -8.700 7.353 -5.090 303 HG SER 41 HG SER 41 -10.443 6.742 -4.005 304 H ASP 42 H ASP 42 -7.135 4.944 -4.819 305 HA ASP 42 HA ASP 42 -8.907 3.044 -3.454 306 HB2 ASP 42 1HB ASP 42 -8.822 1.719 -5.483 307 HB3 ASP 42 2HB ASP 42 -9.228 3.384 -5.893 308 H GLY 43 H GLY 43 -8.186 1.016 -2.785 309 HA2 GLY 43 1HA GLY 43 -5.514 0.930 -1.817 310 HA3 GLY 43 2HA GLY 43 -6.687 -0.376 -1.734 311 H VAL 44 H VAL 44 -7.115 -0.478 -4.607 312 HA VAL 44 HA VAL 44 -5.570 -2.498 -5.436 313 HB VAL 44 HB VAL 44 -6.434 -0.173 -7.159 314 HG11 VAL 44 1HG1 VAL 44 -4.668 -1.407 -8.274 315 HG12 VAL 44 2HG1 VAL 44 -5.508 -2.928 -7.967 316 HG13 VAL 44 3HG1 VAL 44 -6.218 -1.731 -9.050 317 HG21 VAL 44 3HG2 VAL 44 -8.162 -2.023 -7.812 318 HG22 VAL 44 1HG2 VAL 44 -7.734 -2.698 -6.240 319 HG23 VAL 44 2HG2 VAL 44 -8.398 -1.067 -6.349 320 H LEU 45 H LEU 45 -4.711 0.898 -6.125 321 HA LEU 45 HA LEU 45 -2.158 0.317 -7.163 322 HB2 LEU 45 1HB LEU 45 -3.348 2.419 -7.574 323 HB3 LEU 45 2HB LEU 45 -3.161 2.853 -5.876 324 HG LEU 45 HG LEU 45 -0.651 2.770 -6.290 325 HD11 LEU 45 1HD1 LEU 45 -1.695 2.287 -9.014 326 HD12 LEU 45 2HD1 LEU 45 -0.192 1.757 -8.261 327 HD13 LEU 45 3HD1 LEU 45 -0.341 3.407 -8.863 328 HD21 LEU 45 3HD2 LEU 45 -0.615 5.018 -6.801 329 HD22 LEU 45 1HD2 LEU 45 -2.270 4.811 -6.228 330 HD23 LEU 45 2HD2 LEU 45 -1.939 4.888 -7.958 331 H VAL 46 H VAL 46 -3.156 1.467 -3.945 332 HA VAL 46 HA VAL 46 -0.762 1.748 -2.685 333 HB VAL 46 HB VAL 46 -3.242 0.460 -1.539 334 HG11 VAL 46 1HG1 VAL 46 -1.065 1.821 0.022 335 HG12 VAL 46 2HG1 VAL 46 -2.384 0.813 0.621 336 HG13 VAL 46 3HG1 VAL 46 -1.057 0.084 -0.285 337 HG21 VAL 46 3HG2 VAL 46 -3.760 2.679 -0.703 338 HG22 VAL 46 1HG2 VAL 46 -2.278 3.316 -1.417 339 HG23 VAL 46 2HG2 VAL 46 -3.573 2.721 -2.456 340 H ALA 47 H ALA 47 -2.528 -1.308 -3.112 341 HA ALA 47 HA ALA 47 -0.906 -3.037 -1.734 342 HB1 ALA 47 3HB ALA 47 -1.558 -4.488 -3.989 343 HB2 ALA 47 1HB ALA 47 -2.539 -4.326 -2.532 344 HB3 ALA 47 2HB ALA 47 -2.819 -3.258 -3.908 345 H GLU 48 H GLU 48 -0.432 -1.778 -5.008 346 HA GLU 48 HA GLU 48 1.727 -3.326 -5.799 347 HB2 GLU 48 1HB GLU 48 1.263 -0.401 -6.408 348 HB3 GLU 48 2HB GLU 48 2.305 -1.489 -7.315 349 HG2 GLU 48 1HG GLU 48 0.100 -2.888 -7.555 350 HG3 GLU 48 2HG GLU 48 -0.663 -1.332 -7.232 351 H VAL 49 H VAL 49 1.704 -0.328 -3.911 352 HA VAL 49 HA VAL 49 4.392 0.212 -3.739 353 HB VAL 49 HB VAL 49 2.343 0.467 -1.534 354 HG11 VAL 49 1HG1 VAL 49 3.803 1.894 -0.388 355 HG12 VAL 49 2HG1 VAL 49 4.819 0.540 -0.886 356 HG13 VAL 49 3HG1 VAL 49 4.875 2.060 -1.779 357 HG21 VAL 49 3HG2 VAL 49 1.500 1.829 -3.168 358 HG22 VAL 49 1HG2 VAL 49 2.619 2.948 -2.391 359 HG23 VAL 49 2HG2 VAL 49 3.082 2.134 -3.885 360 H ILE 50 H ILE 50 2.522 -1.905 -1.566 361 HA ILE 50 HA ILE 50 4.637 -2.717 0.061 362 HB ILE 50 HB ILE 50 2.235 -4.378 -0.707 363 HG12 ILE 50 1HG1 ILE 50 2.366 -2.761 1.799 364 HG13 ILE 50 2HG1 ILE 50 1.998 -1.929 0.292 365 HG21 ILE 50 1HG2 ILE 50 4.095 -5.566 0.444 366 HG22 ILE 50 2HG2 ILE 50 3.900 -4.458 1.802 367 HG23 ILE 50 3HG2 ILE 50 2.586 -5.546 1.356 368 HD11 ILE 50 3HD1 ILE 50 0.218 -3.246 1.957 369 HD12 ILE 50 1HD1 ILE 50 -0.093 -2.650 0.327 370 HD13 ILE 50 2HD1 ILE 50 0.417 -4.321 0.574 371 H LYS 51 H LYS 51 3.343 -4.220 -2.888 372 HA LYS 51 HA LYS 51 4.664 -6.526 -3.137 373 HB2 LYS 51 1HB LYS 51 3.314 -5.068 -4.891 374 HB3 LYS 51 2HB LYS 51 4.930 -4.687 -5.473 375 HG2 LYS 51 1HG LYS 51 3.891 -7.489 -5.122 376 HG3 LYS 51 2HG LYS 51 3.824 -6.588 -6.639 377 HD2 LYS 51 1HD LYS 51 6.399 -7.015 -5.149 378 HD3 LYS 51 2HD LYS 51 5.785 -8.192 -6.313 379 HE2 LYS 51 1HE LYS 51 6.068 -5.301 -7.050 380 HE3 LYS 51 2HE LYS 51 7.455 -6.388 -7.114 381 HZ1 LYS 51 3HZ LYS 51 5.569 -6.032 -9.069 382 HZ2 LYS 51 1HZ LYS 51 5.172 -7.526 -8.380 383 HZ3 LYS 51 2HZ LYS 51 6.724 -7.266 -9.000 384 H PHE 52 H PHE 52 6.172 -3.521 -4.338 385 HA PHE 52 HA PHE 52 8.651 -4.302 -4.952 386 HB2 PHE 52 1HB PHE 52 7.680 -1.910 -4.765 387 HB3 PHE 52 2HB PHE 52 8.357 -1.921 -3.139 388 HD1 PHE 52 2HD PHE 52 10.822 -2.232 -2.850 389 HD2 PHE 52 1HD PHE 52 9.032 -1.544 -6.650 390 HE1 PHE 52 2HE PHE 52 13.011 -1.572 -3.757 391 HE2 PHE 52 1HE PHE 52 11.219 -0.883 -7.564 392 HZ PHE 52 HZ PHE 52 13.212 -0.895 -6.117 393 H TYR 53 H TYR 53 7.843 -3.322 -1.617 394 HA TYR 53 HA TYR 53 10.256 -4.240 -0.494 395 HB2 TYR 53 1HB TYR 53 7.563 -3.562 0.659 396 HB3 TYR 53 2HB TYR 53 8.851 -4.197 1.678 397 HD1 TYR 53 2HD TYR 53 7.976 -1.412 -0.612 398 HD2 TYR 53 1HD TYR 53 10.565 -2.791 2.470 399 HE1 TYR 53 2HE TYR 53 8.905 0.854 -0.386 400 HE2 TYR 53 1HE TYR 53 11.500 -0.528 2.705 401 HH TYR 53 HH TYR 53 11.666 1.513 1.668 402 H PHE 54 H PHE 54 6.991 -5.660 -0.233 403 HA PHE 54 HA PHE 54 8.256 -8.313 -0.095 404 HB2 PHE 54 1HB PHE 54 5.869 -7.449 1.550 405 HB3 PHE 54 2HB PHE 54 6.677 -9.012 1.609 406 HD1 PHE 54 1HD PHE 54 9.188 -8.975 2.258 407 HD2 PHE 54 2HD PHE 54 6.471 -5.793 3.038 408 HE1 PHE 54 1HE PHE 54 10.682 -8.138 4.024 409 HE2 PHE 54 2HE PHE 54 7.961 -4.950 4.805 410 HZ PHE 54 HZ PHE 54 10.070 -6.122 5.300 411 HA PRO 55 HA PRO 55 5.293 -8.508 -3.533 412 HB2 PRO 55 1HB PRO 55 6.552 -10.571 -4.769 413 HB3 PRO 55 2HB PRO 55 7.066 -8.888 -4.943 414 HG2 PRO 55 1HG PRO 55 8.178 -11.036 -3.178 415 HG3 PRO 55 2HG PRO 55 9.040 -9.836 -4.159 416 HD2 PRO 55 1HD PRO 55 8.688 -9.554 -1.489 417 HD3 PRO 55 2HD PRO 55 8.754 -8.167 -2.596 418 H LYS 56 H LYS 56 6.315 -10.827 -1.181 419 HA LYS 56 HA LYS 56 4.488 -12.899 -1.964 420 HB2 LYS 56 1HB LYS 56 5.131 -13.949 0.179 421 HB3 LYS 56 2HB LYS 56 6.526 -13.485 -0.786 422 HG2 LYS 56 1HG LYS 56 7.034 -11.676 0.617 423 HG3 LYS 56 2HG LYS 56 5.451 -11.729 1.396 424 HD2 LYS 56 1HD LYS 56 6.868 -12.699 2.972 425 HD3 LYS 56 2HD LYS 56 6.144 -14.089 2.160 426 HE2 LYS 56 1HE LYS 56 8.181 -14.079 0.647 427 HE3 LYS 56 2HE LYS 56 8.897 -12.936 1.782 428 HZ1 LYS 56 3HZ LYS 56 8.723 -15.745 1.978 429 HZ2 LYS 56 1HZ LYS 56 7.911 -15.044 3.287 430 HZ3 LYS 56 2HZ LYS 56 9.532 -14.659 2.993 431 H MET 57 H MET 57 4.452 -10.189 0.255 432 HA MET 57 HA MET 57 2.174 -10.939 1.744 433 HB2 MET 57 1HB MET 57 3.482 -8.285 1.186 434 HB3 MET 57 2HB MET 57 2.030 -8.411 2.170 435 HG2 MET 57 1HG MET 57 3.153 -9.748 3.789 436 HG3 MET 57 2HG MET 57 4.571 -9.905 2.755 437 HE1 MET 57 3HE MET 57 2.318 -7.953 4.790 438 HE2 MET 57 1HE MET 57 3.450 -7.114 5.851 439 HE3 MET 57 2HE MET 57 2.751 -6.273 4.468 440 H VAL 58 H VAL 58 2.553 -8.884 -1.130 441 HA VAL 58 HA VAL 58 -0.163 -8.192 -1.398 442 HB VAL 58 HB VAL 58 1.951 -8.396 -3.547 443 HG11 VAL 58 1HG1 VAL 58 -0.194 -6.448 -3.889 444 HG12 VAL 58 2HG1 VAL 58 0.489 -7.598 -5.041 445 HG13 VAL 58 3HG1 VAL 58 -0.755 -8.120 -3.904 446 HG21 VAL 58 3HG2 VAL 58 2.646 -6.880 -1.810 447 HG22 VAL 58 1HG2 VAL 58 2.137 -5.943 -3.215 448 HG23 VAL 58 2HG2 VAL 58 1.070 -6.087 -1.817 449 H GLU 59 H GLU 59 -1.860 -9.155 -2.385 450 HA GLU 59 HA GLU 59 -1.463 -11.917 -3.285 451 HB2 GLU 59 1HB GLU 59 -3.114 -11.368 -1.444 452 HB3 GLU 59 2HB GLU 59 -4.084 -10.557 -2.665 453 HG2 GLU 59 1HG GLU 59 -4.713 -12.941 -2.070 454 HG3 GLU 59 2HG GLU 59 -4.561 -12.549 -3.782 455 H MET 60 H MET 60 -3.279 -8.991 -4.196 456 HA MET 60 HA MET 60 -4.238 -8.382 -6.188 457 HB2 MET 60 1HB MET 60 -1.414 -9.152 -6.776 458 HB3 MET 60 2HB MET 60 -2.468 -8.741 -8.122 459 HG2 MET 60 1HG MET 60 -2.273 -6.907 -5.778 460 HG3 MET 60 2HG MET 60 -1.004 -6.915 -7.001 461 HE1 MET 60 3HE MET 60 -3.910 -4.395 -6.392 462 HE2 MET 60 1HE MET 60 -5.198 -5.377 -7.090 463 HE3 MET 60 2HE MET 60 -4.209 -6.022 -5.781 464 H HIS 61 H HIS 61 -5.165 -10.872 -5.454 465 HA HIS 61 HA HIS 61 -5.342 -12.252 -8.052 466 HB2 HIS 61 1HB HIS 61 -4.103 -13.542 -6.285 467 HB3 HIS 61 2HB HIS 61 -5.590 -13.570 -5.343 468 HD1 HIS 61 1HD HIS 61 -4.706 -14.459 -8.947 469 HD2 HIS 61 2HD HIS 61 -6.842 -15.926 -5.699 470 HE1 HIS 61 1HE HIS 61 -5.686 -16.642 -9.718 471 HE2 HIS 61 2HE HIS 61 -7.044 -17.469 -7.764 472 H ASN 62 H ASN 62 -6.975 -10.737 -5.467 473 HA ASN 62 HA ASN 62 -9.561 -11.579 -6.599 474 HB2 ASN 62 1HB ASN 62 -10.559 -11.520 -4.415 475 HB3 ASN 62 2HB ASN 62 -9.111 -12.516 -4.311 476 HD21 ASN 62 1HD2 ASN 62 -7.652 -12.040 -2.815 477 HD22 ASN 62 2HD2 ASN 62 -7.626 -10.598 -1.864 478 H TYR 63 H TYR 63 -7.565 -9.012 -5.368 479 HA TYR 63 HA TYR 63 -9.552 -6.992 -5.266 480 HB2 TYR 63 1HB TYR 63 -6.563 -6.715 -5.642 481 HB3 TYR 63 2HB TYR 63 -7.666 -5.422 -5.182 482 HD1 TYR 63 2HD TYR 63 -9.172 -6.061 -3.041 483 HD2 TYR 63 1HD TYR 63 -5.351 -7.698 -3.951 484 HE1 TYR 63 2HE TYR 63 -8.858 -6.634 -0.670 485 HE2 TYR 63 1HE TYR 63 -5.028 -8.276 -1.582 486 HH TYR 63 HH TYR 63 -7.031 -8.717 0.493 487 H VAL 64 H VAL 64 -10.588 -6.064 -6.890 488 HA VAL 64 HA VAL 64 -9.245 -5.882 -9.508 489 HB VAL 64 HB VAL 64 -12.172 -6.449 -9.012 490 HG11 VAL 64 1HG1 VAL 64 -11.363 -4.958 -11.026 491 HG12 VAL 64 2HG1 VAL 64 -10.932 -6.523 -11.717 492 HG13 VAL 64 3HG1 VAL 64 -12.600 -6.195 -11.247 493 HG21 VAL 64 3HG2 VAL 64 -11.221 -8.511 -8.744 494 HG22 VAL 64 1HG2 VAL 64 -11.404 -8.494 -10.498 495 HG23 VAL 64 2HG2 VAL 64 -9.839 -8.131 -9.770 496 HA PRO 65 HA PRO 65 -10.037 -1.553 -9.147 497 HB2 PRO 65 1HB PRO 65 -9.621 -0.879 -11.743 498 HB3 PRO 65 2HB PRO 65 -8.306 -1.277 -10.631 499 HG2 PRO 65 1HG PRO 65 -9.628 -2.996 -12.695 500 HG3 PRO 65 2HG PRO 65 -7.904 -2.836 -12.309 501 HD2 PRO 65 1HD PRO 65 -9.410 -4.904 -11.421 502 HD3 PRO 65 2HD PRO 65 -8.052 -4.242 -10.489 503 H ALA 66 H ALA 66 -11.960 -0.601 -8.989 504 HA ALA 66 HA ALA 66 -13.910 -0.974 -11.162 505 HB1 ALA 66 3HB ALA 66 -15.709 -1.219 -9.620 506 HB2 ALA 66 1HB ALA 66 -14.454 -2.368 -9.153 507 HB3 ALA 66 2HB ALA 66 -14.659 -0.868 -8.247 508 H ASN 67 H ASN 67 -15.745 0.695 -10.928 509 HA ASN 67 HA ASN 67 -14.538 3.296 -10.250 510 HB2 ASN 67 1HB ASN 67 -15.859 4.286 -12.030 511 HB3 ASN 67 2HB ASN 67 -14.923 2.942 -12.677 512 HD21 ASN 67 1HD2 ASN 67 -17.487 4.270 -13.486 513 HD22 ASN 67 2HD2 ASN 67 -18.610 2.969 -13.664 514 H SER 68 H SER 68 -16.154 1.457 -8.558 515 HA SER 68 HA SER 68 -18.356 3.317 -7.945 516 HB2 SER 68 1HB SER 68 -18.319 0.304 -7.665 517 HB3 SER 68 2HB SER 68 -19.599 1.346 -7.044 518 HG SER 68 HG SER 68 -19.111 0.502 -9.603 519 H LEU 69 H LEU 69 -18.420 4.116 -5.935 520 HA LEU 69 HA LEU 69 -16.295 3.990 -4.188 521 HB2 LEU 69 1HB LEU 69 -17.827 5.754 -3.938 522 HB3 LEU 69 2HB LEU 69 -19.190 4.652 -3.758 523 HG LEU 69 HG LEU 69 -18.238 3.961 -1.551 524 HD11 LEU 69 1HD1 LEU 69 -16.679 6.244 -0.995 525 HD12 LEU 69 2HD1 LEU 69 -16.044 5.532 -2.477 526 HD13 LEU 69 3HD1 LEU 69 -16.173 4.555 -1.015 527 HD21 LEU 69 3HD2 LEU 69 -18.614 6.893 -1.372 528 HD22 LEU 69 1HD2 LEU 69 -19.396 5.589 -0.478 529 HD23 LEU 69 2HD2 LEU 69 -19.908 5.959 -2.125 530 H GLN 70 H GLN 70 -19.332 2.148 -4.035 531 HA GLN 70 HA GLN 70 -18.950 0.771 -1.687 532 HB2 GLN 70 1HB GLN 70 -20.152 -0.304 -4.244 533 HB3 GLN 70 2HB GLN 70 -20.378 -0.995 -2.643 534 HG2 GLN 70 1HG GLN 70 -21.800 0.654 -1.974 535 HG3 GLN 70 2HG GLN 70 -21.089 1.857 -3.048 536 HE21 GLN 70 1HE2 GLN 70 -23.617 2.027 -3.140 537 HE22 GLN 70 2HE2 GLN 70 -24.334 1.222 -4.490 538 H GLN 71 H GLN 71 -17.800 -0.141 -4.923 539 HA GLN 71 HA GLN 71 -16.540 -2.535 -4.134 540 HB2 GLN 71 1HB GLN 71 -17.128 -1.617 -6.508 541 HB3 GLN 71 2HB GLN 71 -15.531 -0.884 -6.423 542 HG2 GLN 71 1HG GLN 71 -15.739 -3.153 -7.558 543 HG3 GLN 71 2HG GLN 71 -14.452 -2.943 -6.372 544 HE21 GLN 71 1HE2 GLN 71 -14.209 -4.953 -5.612 545 HE22 GLN 71 2HE2 GLN 71 -15.456 -5.884 -4.863 546 H LYS 72 H LYS 72 -15.271 0.750 -4.591 547 HA LYS 72 HA LYS 72 -12.600 0.373 -4.178 548 HB2 LYS 72 1HB LYS 72 -14.329 2.609 -3.106 549 HB3 LYS 72 2HB LYS 72 -12.571 2.653 -3.162 550 HG2 LYS 72 1HG LYS 72 -14.060 2.106 -5.677 551 HG3 LYS 72 2HG LYS 72 -14.026 3.754 -5.047 552 HD2 LYS 72 1HD LYS 72 -11.745 3.957 -5.330 553 HD3 LYS 72 2HD LYS 72 -11.477 2.213 -5.265 554 HE2 LYS 72 1HE LYS 72 -11.131 3.032 -7.521 555 HE3 LYS 72 2HE LYS 72 -12.547 1.983 -7.464 556 HZ1 LYS 72 3HZ LYS 72 -13.384 4.609 -6.987 557 HZ2 LYS 72 1HZ LYS 72 -13.744 3.620 -8.313 558 HZ3 LYS 72 2HZ LYS 72 -12.388 4.631 -8.355 559 H LEU 73 H LEU 73 -14.812 1.287 -1.529 560 HA LEU 73 HA LEU 73 -13.064 0.796 0.564 561 HB2 LEU 73 1HB LEU 73 -16.065 0.579 0.457 562 HB3 LEU 73 2HB LEU 73 -15.132 0.500 1.950 563 HG LEU 73 HG LEU 73 -15.129 2.875 0.092 564 HD11 LEU 73 1HD1 LEU 73 -17.020 3.613 0.989 565 HD12 LEU 73 2HD1 LEU 73 -16.451 3.272 2.623 566 HD13 LEU 73 3HD1 LEU 73 -17.242 2.007 1.683 567 HD21 LEU 73 3HD2 LEU 73 -14.470 3.102 2.956 568 HD22 LEU 73 1HD2 LEU 73 -13.745 3.891 1.555 569 HD23 LEU 73 2HD2 LEU 73 -13.301 2.233 1.962 570 H SER 74 H SER 74 -15.413 -1.408 -0.929 571 HA SER 74 HA SER 74 -15.256 -3.598 0.673 572 HB2 SER 74 1HB SER 74 -16.480 -3.231 -1.610 573 HB3 SER 74 2HB SER 74 -15.047 -3.999 -2.294 574 HG SER 74 HG SER 74 -16.481 -5.160 -0.154 575 H ASN 75 H ASN 75 -12.919 -2.665 -1.823 576 HA ASN 75 HA ASN 75 -11.232 -4.929 -1.421 577 HB2 ASN 75 1HB ASN 75 -10.802 -2.277 -2.801 578 HB3 ASN 75 2HB ASN 75 -9.573 -3.537 -2.745 579 HD21 ASN 75 1HD2 ASN 75 -10.809 -2.447 -5.072 580 HD22 ASN 75 2HD2 ASN 75 -11.636 -3.740 -5.866 581 H TRP 76 H TRP 76 -11.369 -1.676 -0.116 582 HA TRP 76 HA TRP 76 -8.825 -1.660 1.114 583 HB2 TRP 76 1HB TRP 76 -11.328 -0.067 1.372 584 HB3 TRP 76 2HB TRP 76 -10.155 0.041 2.681 585 HD1 TRP 76 HD TRP 76 -10.821 1.258 -0.811 586 HE1 TRP 76 1HE TRP 76 -8.916 2.818 -1.561 587 HE3 TRP 76 3HE TRP 76 -7.504 0.365 2.974 588 HZ2 TRP 76 2HZ TRP 76 -6.347 3.570 -0.666 589 HZ3 TRP 76 3HZ TRP 76 -5.344 1.544 2.953 590 HH2 TRP 76 HH TRP 76 -4.779 3.113 1.169 591 H GLY 77 H GLY 77 -12.046 -2.116 2.598 592 HA2 GLY 77 1HA GLY 77 -11.339 -2.753 5.149 593 HA3 GLY 77 2HA GLY 77 -12.695 -3.506 4.321 594 H HIS 78 H HIS 78 -11.348 -4.988 2.393 595 HA HIS 78 HA HIS 78 -10.606 -7.271 3.900 596 HB2 HIS 78 1HB HIS 78 -11.611 -7.081 1.493 597 HB3 HIS 78 2HB HIS 78 -9.926 -6.971 0.994 598 HD1 HIS 78 1HD HIS 78 -10.023 -9.248 -0.209 599 HD2 HIS 78 2HD HIS 78 -10.877 -9.446 3.852 600 HE1 HIS 78 1HE HIS 78 -9.956 -11.693 0.374 601 HE2 HIS 78 2HE HIS 78 -10.560 -11.795 2.817 602 H LEU 79 H LEU 79 -8.742 -4.975 1.935 603 HA LEU 79 HA LEU 79 -6.242 -6.188 2.175 604 HB2 LEU 79 1HB LEU 79 -6.943 -4.237 0.701 605 HB3 LEU 79 2HB LEU 79 -6.675 -3.215 2.112 606 HG LEU 79 HG LEU 79 -4.295 -4.388 2.044 607 HD11 LEU 79 1HD1 LEU 79 -5.282 -4.530 -0.798 608 HD12 LEU 79 2HD1 LEU 79 -4.704 -5.860 0.205 609 HD13 LEU 79 3HD1 LEU 79 -3.583 -4.608 -0.331 610 HD21 LEU 79 3HD2 LEU 79 -3.560 -2.474 0.561 611 HD22 LEU 79 1HD2 LEU 79 -4.498 -2.036 1.989 612 HD23 LEU 79 2HD2 LEU 79 -5.268 -2.062 0.403 613 H ASN 80 H ASN 80 -8.137 -4.594 4.522 614 HA ASN 80 HA ASN 80 -6.001 -3.734 6.223 615 HB2 ASN 80 1HB ASN 80 -8.251 -2.700 6.279 616 HB3 ASN 80 2HB ASN 80 -8.913 -4.212 6.895 617 HD21 ASN 80 1HD2 ASN 80 -9.519 -2.343 8.477 618 HD22 ASN 80 2HD2 ASN 80 -8.484 -2.207 9.854 619 H ARG 81 H ARG 81 -8.023 -6.603 5.976 620 HA ARG 81 HA ARG 81 -6.576 -7.803 8.235 621 HB2 ARG 81 1HB ARG 81 -9.224 -8.439 6.948 622 HB3 ARG 81 2HB ARG 81 -8.419 -9.573 8.025 623 HG2 ARG 81 1HG ARG 81 -8.349 -7.525 9.647 624 HG3 ARG 81 2HG ARG 81 -9.671 -6.942 8.634 625 HD2 ARG 81 1HD ARG 81 -10.773 -8.103 10.315 626 HD3 ARG 81 2HD ARG 81 -10.688 -9.283 9.007 627 HE ARG 81 HE ARG 81 -8.481 -9.855 10.413 628 HH11 ARG 81 1HH1 ARG 81 -11.784 -9.345 11.385 629 HH12 ARG 81 2HH1 ARG 81 -11.685 -10.412 12.747 630 HH21 ARG 81 1HH2 ARG 81 -8.338 -11.263 12.202 631 HH22 ARG 81 2HH2 ARG 81 -9.724 -11.502 13.211 632 H LYS 82 H LYS 82 -6.232 -7.571 5.038 633 HA LYS 82 HA LYS 82 -5.379 -10.370 4.695 634 HB2 LYS 82 1HB LYS 82 -6.474 -8.336 2.803 635 HB3 LYS 82 2HB LYS 82 -5.345 -9.534 2.183 636 HG2 LYS 82 1HG LYS 82 -7.695 -10.419 3.793 637 HG3 LYS 82 2HG LYS 82 -7.906 -9.976 2.098 638 HD2 LYS 82 1HD LYS 82 -6.603 -11.725 1.342 639 HD3 LYS 82 2HD LYS 82 -5.720 -11.862 2.864 640 HE2 LYS 82 1HE LYS 82 -7.759 -12.744 3.933 641 HE3 LYS 82 2HE LYS 82 -8.589 -12.662 2.379 642 HZ1 LYS 82 3HZ LYS 82 -6.072 -14.162 2.575 643 HZ2 LYS 82 1HZ LYS 82 -7.389 -14.403 1.540 644 HZ3 LYS 82 2HZ LYS 82 -7.493 -14.867 3.164 645 H VAL 83 H VAL 83 -4.360 -7.082 4.793 646 HA VAL 83 HA VAL 83 -1.607 -7.944 4.206 647 HB VAL 83 HB VAL 83 -2.795 -5.295 3.370 648 HG11 VAL 83 1HG1 VAL 83 -0.050 -6.459 3.290 649 HG12 VAL 83 2HG1 VAL 83 -0.556 -5.348 2.015 650 HG13 VAL 83 3HG1 VAL 83 -0.568 -4.824 3.700 651 HG21 VAL 83 3HG2 VAL 83 -3.709 -6.709 1.809 652 HG22 VAL 83 1HG2 VAL 83 -2.158 -6.351 1.050 653 HG23 VAL 83 2HG2 VAL 83 -2.383 -7.867 1.921 654 H LEU 84 H LEU 84 -3.210 -4.943 5.276 655 HA LEU 84 HA LEU 84 -1.323 -3.916 6.910 656 HB2 LEU 84 1HB LEU 84 -4.255 -4.041 7.595 657 HB3 LEU 84 2HB LEU 84 -3.088 -2.873 8.212 658 HG LEU 84 HG LEU 84 -4.000 -3.106 5.344 659 HD11 LEU 84 1HD1 LEU 84 -5.273 -1.936 7.550 660 HD12 LEU 84 2HD1 LEU 84 -5.667 -1.734 5.843 661 HD13 LEU 84 3HD1 LEU 84 -4.563 -0.607 6.632 662 HD21 LEU 84 3HD2 LEU 84 -1.796 -1.684 6.648 663 HD22 LEU 84 1HD2 LEU 84 -2.821 -0.668 5.634 664 HD23 LEU 84 2HD2 LEU 84 -2.040 -2.093 4.949 665 H LYS 85 H LYS 85 -3.734 -6.334 7.909 666 HA LYS 85 HA LYS 85 -3.300 -6.700 10.517 667 HB2 LYS 85 1HB LYS 85 -4.693 -8.150 8.978 668 HB3 LYS 85 2HB LYS 85 -3.223 -9.047 8.619 669 HG2 LYS 85 1HG LYS 85 -3.010 -9.542 11.048 670 HG3 LYS 85 2HG LYS 85 -4.584 -8.781 11.290 671 HD2 LYS 85 1HD LYS 85 -5.060 -11.069 11.121 672 HD3 LYS 85 2HD LYS 85 -5.444 -10.423 9.524 673 HE2 LYS 85 1HE LYS 85 -3.191 -11.134 8.759 674 HE3 LYS 85 2HE LYS 85 -2.932 -11.883 10.333 675 HZ1 LYS 85 3HZ LYS 85 -5.362 -12.826 9.401 676 HZ2 LYS 85 1HZ LYS 85 -3.912 -13.686 9.538 677 HZ3 LYS 85 2HZ LYS 85 -4.301 -12.910 8.086 678 H ARG 86 H ARG 86 -1.237 -8.281 8.069 679 HA ARG 86 HA ARG 86 0.632 -9.390 9.776 680 HB2 ARG 86 1HB ARG 86 0.980 -8.285 6.987 681 HB3 ARG 86 2HB ARG 86 2.219 -9.209 7.826 682 HG2 ARG 86 1HG ARG 86 1.093 -10.713 6.397 683 HG3 ARG 86 2HG ARG 86 0.545 -11.068 8.036 684 HD2 ARG 86 1HD ARG 86 -1.558 -10.222 7.662 685 HD3 ARG 86 2HD ARG 86 -1.008 -9.133 6.390 686 HE ARG 86 HE ARG 86 -1.943 -11.810 6.070 687 HH11 ARG 86 1HH1 ARG 86 0.222 -9.417 4.763 688 HH12 ARG 86 2HH1 ARG 86 0.205 -10.086 3.165 689 HH21 ARG 86 1HH2 ARG 86 -1.973 -12.700 3.971 690 HH22 ARG 86 2HH2 ARG 86 -1.044 -11.953 2.715 691 H LEU 87 H LEU 87 0.470 -6.110 8.488 692 HA LEU 87 HA LEU 87 2.954 -5.356 9.783 693 HB2 LEU 87 1HB LEU 87 0.941 -3.800 8.171 694 HB3 LEU 87 2HB LEU 87 2.391 -3.088 8.876 695 HG LEU 87 HG LEU 87 2.698 -5.425 7.054 696 HD11 LEU 87 1HD1 LEU 87 2.841 -3.756 5.157 697 HD12 LEU 87 2HD1 LEU 87 1.974 -2.634 6.206 698 HD13 LEU 87 3HD1 LEU 87 1.220 -4.155 5.728 699 HD21 LEU 87 3HD2 LEU 87 4.440 -3.839 8.416 700 HD22 LEU 87 1HD2 LEU 87 4.409 -3.055 6.837 701 HD23 LEU 87 2HD2 LEU 87 4.839 -4.761 6.966 702 H ASN 88 H ASN 88 0.671 -6.251 11.404 703 HA ASN 88 HA ASN 88 -0.682 -5.568 13.147 704 HB2 ASN 88 1HB ASN 88 2.092 -4.563 13.620 705 HB3 ASN 88 2HB ASN 88 0.832 -4.124 14.769 706 HD21 ASN 88 1HD2 ASN 88 2.001 -5.332 16.335 707 HD22 ASN 88 2HD2 ASN 88 1.870 -7.053 16.391 708 H PHE 89 H PHE 89 -1.088 -3.915 10.871 709 HA PHE 89 HA PHE 89 -1.502 -1.276 12.109 710 HB2 PHE 89 1HB PHE 89 -0.103 -1.607 9.917 711 HB3 PHE 89 2HB PHE 89 -1.684 -1.731 9.153 712 HD1 PHE 89 2HD PHE 89 -3.171 0.183 9.051 713 HD2 PHE 89 1HD PHE 89 0.682 0.475 10.835 714 HE1 PHE 89 2HE PHE 89 -3.321 2.637 8.965 715 HE2 PHE 89 1HE PHE 89 0.538 2.930 10.752 716 HZ PHE 89 HZ PHE 89 -1.465 4.014 9.815 717 H SER 90 H SER 90 -3.514 -0.769 12.634 718 HA SER 90 HA SER 90 -5.721 -2.061 11.168 719 HB2 SER 90 1HB SER 90 -5.624 -1.350 14.110 720 HB3 SER 90 2HB SER 90 -7.025 -2.011 13.268 721 HG SER 90 HG SER 90 -4.593 -3.385 13.107 722 H VAL 91 H VAL 91 -7.096 -0.721 10.206 723 HA VAL 91 HA VAL 91 -7.159 2.092 11.092 724 HB VAL 91 HB VAL 91 -7.486 1.025 8.284 725 HG11 VAL 91 1HG1 VAL 91 -8.006 3.149 7.548 726 HG12 VAL 91 2HG1 VAL 91 -8.865 3.085 9.088 727 HG13 VAL 91 3HG1 VAL 91 -7.318 3.926 8.973 728 HG21 VAL 91 3HG2 VAL 91 -5.182 0.996 8.856 729 HG22 VAL 91 1HG2 VAL 91 -5.441 2.445 7.885 730 HG23 VAL 91 2HG2 VAL 91 -5.286 2.574 9.637 731 HA PRO 92 HA PRO 92 -11.469 1.487 11.812 732 HB2 PRO 92 1HB PRO 92 -12.224 4.094 11.858 733 HB3 PRO 92 2HB PRO 92 -11.336 3.328 13.180 734 HG2 PRO 92 1HG PRO 92 -10.312 5.063 10.966 735 HG3 PRO 92 2HG PRO 92 -9.895 5.086 12.689 736 HD2 PRO 92 1HD PRO 92 -8.319 3.915 10.824 737 HD3 PRO 92 2HD PRO 92 -8.438 3.311 12.489 738 H ASP 93 H ASP 93 -13.593 2.675 10.934 739 HA ASP 93 HA ASP 93 -13.526 2.268 8.051 740 HB2 ASP 93 1HB ASP 93 -15.876 2.019 8.153 741 HB3 ASP 93 2HB ASP 93 -15.266 1.227 9.603 742 H ASP 94 H ASP 94 -14.553 4.752 10.372 743 HA ASP 94 HA ASP 94 -15.506 6.666 8.630 744 HB2 ASP 94 1HB ASP 94 -14.668 8.333 10.383 745 HB3 ASP 94 2HB ASP 94 -15.780 7.084 10.936 746 H VAL 95 H VAL 95 -12.291 5.547 9.015 747 HA VAL 95 HA VAL 95 -11.080 7.898 7.814 748 HB VAL 95 HB VAL 95 -9.954 5.277 8.779 749 HG11 VAL 95 1HG1 VAL 95 -7.806 6.937 8.213 750 HG12 VAL 95 2HG1 VAL 95 -8.289 5.496 7.315 751 HG13 VAL 95 3HG1 VAL 95 -8.854 7.087 6.804 752 HG21 VAL 95 3HG2 VAL 95 -8.956 6.535 10.492 753 HG22 VAL 95 1HG2 VAL 95 -9.230 8.060 9.648 754 HG23 VAL 95 2HG2 VAL 95 -10.590 7.186 10.354 755 H MET 96 H MET 96 -11.881 4.575 6.946 756 HA MET 96 HA MET 96 -10.595 4.600 4.416 757 HB2 MET 96 1HB MET 96 -12.835 2.888 5.499 758 HB3 MET 96 2HB MET 96 -12.047 2.609 3.952 759 HG2 MET 96 1HG MET 96 -9.872 2.584 5.388 760 HG3 MET 96 2HG MET 96 -10.987 2.249 6.711 761 HE1 MET 96 3HE MET 96 -11.071 -1.401 6.664 762 HE2 MET 96 1HE MET 96 -9.847 -0.249 7.197 763 HE3 MET 96 2HE MET 96 -11.557 0.114 7.425 764 H ARG 97 H ARG 97 -13.927 5.219 5.452 765 HA ARG 97 HA ARG 97 -15.157 5.479 2.993 766 HB2 ARG 97 1HB ARG 97 -15.627 6.751 5.663 767 HB3 ARG 97 2HB ARG 97 -16.569 7.278 4.275 768 HG2 ARG 97 1HG ARG 97 -17.036 4.741 3.962 769 HG3 ARG 97 2HG ARG 97 -16.552 4.635 5.656 770 HD2 ARG 97 1HD ARG 97 -18.551 6.689 4.829 771 HD3 ARG 97 2HD ARG 97 -19.061 5.010 5.002 772 HE ARG 97 HE ARG 97 -17.716 5.565 7.314 773 HH11 ARG 97 1HH1 ARG 97 -20.425 6.966 5.636 774 HH12 ARG 97 2HH1 ARG 97 -21.196 7.530 7.082 775 HH21 ARG 97 1HH2 ARG 97 -18.721 6.302 9.225 776 HH22 ARG 97 2HH2 ARG 97 -20.225 7.152 9.123 777 H LYS 98 H LYS 98 -13.028 7.700 4.649 778 HA LYS 98 HA LYS 98 -13.566 9.896 2.860 779 HB2 LYS 98 1HB LYS 98 -11.220 9.645 4.736 780 HB3 LYS 98 2HB LYS 98 -11.954 11.116 4.112 781 HG2 LYS 98 1HG LYS 98 -13.848 10.878 5.490 782 HG3 LYS 98 2HG LYS 98 -13.440 9.209 5.892 783 HD2 LYS 98 1HD LYS 98 -12.684 10.225 7.786 784 HD3 LYS 98 2HD LYS 98 -11.229 10.375 6.797 785 HE2 LYS 98 1HE LYS 98 -13.365 12.490 7.042 786 HE3 LYS 98 2HE LYS 98 -11.865 12.472 7.968 787 HZ1 LYS 98 3HZ LYS 98 -11.049 12.197 5.384 788 HZ2 LYS 98 1HZ LYS 98 -11.014 13.627 6.288 789 HZ3 LYS 98 2HZ LYS 98 -12.324 13.303 5.270 790 H ILE 99 H ILE 99 -10.980 7.525 3.326 791 HA ILE 99 HA ILE 99 -9.129 8.473 1.498 792 HB ILE 99 HB ILE 99 -9.802 5.623 2.225 793 HG12 ILE 99 1HG1 ILE 99 -7.474 7.355 3.072 794 HG13 ILE 99 2HG1 ILE 99 -8.951 7.181 4.013 795 HG21 ILE 99 1HG2 ILE 99 -8.558 5.008 0.482 796 HG22 ILE 99 2HG2 ILE 99 -8.034 6.663 0.176 797 HG23 ILE 99 3HG2 ILE 99 -7.179 5.672 1.357 798 HD11 ILE 99 3HD1 ILE 99 -6.926 5.063 3.360 799 HD12 ILE 99 1HD1 ILE 99 -7.342 5.720 4.943 800 HD13 ILE 99 2HD1 ILE 99 -8.502 4.717 4.071 801 H ALA 100 H ALA 100 -11.789 6.176 0.921 802 HA ALA 100 HA ALA 100 -11.309 5.968 -1.874 803 HB1 ALA 100 3HB ALA 100 -12.464 4.209 -0.668 804 HB2 ALA 100 1HB ALA 100 -13.781 5.314 -0.274 805 HB3 ALA 100 2HB ALA 100 -13.494 4.845 -1.950 806 H GLN 101 H GLN 101 -12.865 8.312 0.074 807 HA GLN 101 HA GLN 101 -14.457 9.366 -2.128 808 HB2 GLN 101 1HB GLN 101 -14.231 10.041 0.793 809 HB3 GLN 101 2HB GLN 101 -15.051 11.118 -0.330 810 HG2 GLN 101 1HG GLN 101 -15.789 8.223 -0.082 811 HG3 GLN 101 2HG GLN 101 -16.474 9.460 0.971 812 HE21 GLN 101 1HE2 GLN 101 -16.137 8.431 -2.370 813 HE22 GLN 101 2HE2 GLN 101 -17.555 9.225 -2.954 814 H CYS 102 H CYS 102 -11.513 9.381 -2.205 815 HA CYS 102 HA CYS 102 -9.726 10.816 -2.466 816 HB2 CYS 102 1HB CYS 102 -10.067 12.314 -4.314 817 HB3 CYS 102 2HB CYS 102 -11.039 10.875 -4.599 818 HG CYS 102 HG CYS 102 -12.862 12.566 -5.415 819 H ALA 103 H ALA 103 -10.530 11.329 -0.004 820 HA ALA 103 HA ALA 103 -11.348 14.043 0.413 821 HB1 ALA 103 3HB ALA 103 -11.778 13.306 2.461 822 HB2 ALA 103 1HB ALA 103 -11.160 11.725 1.980 823 HB3 ALA 103 2HB ALA 103 -10.080 12.907 2.721 824 HA PRO 104 HA PRO 104 -7.520 16.186 0.466 825 HB2 PRO 104 1HB PRO 104 -7.747 17.795 2.641 826 HB3 PRO 104 2HB PRO 104 -8.667 18.054 1.155 827 HG2 PRO 104 1HG PRO 104 -9.523 16.748 3.709 828 HG3 PRO 104 2HG PRO 104 -10.409 17.895 2.687 829 HD2 PRO 104 1HD PRO 104 -10.871 15.227 2.622 830 HD3 PRO 104 2HD PRO 104 -11.047 16.262 1.191 831 H GLY 105 H GLY 105 -5.622 15.263 0.916 832 HA2 GLY 105 1HA GLY 105 -4.080 13.944 2.057 833 HA3 GLY 105 2HA GLY 105 -4.198 15.294 3.176 834 H VAL 106 H VAL 106 -5.334 12.052 2.458 835 HA VAL 106 HA VAL 106 -5.979 11.728 5.307 836 HB VAL 106 HB VAL 106 -7.680 10.818 2.987 837 HG11 VAL 106 1HG1 VAL 106 -8.397 9.096 4.187 838 HG12 VAL 106 2HG1 VAL 106 -7.237 9.495 5.455 839 HG13 VAL 106 3HG1 VAL 106 -8.860 10.186 5.494 840 HG21 VAL 106 3HG2 VAL 106 -9.439 12.027 4.396 841 HG22 VAL 106 1HG2 VAL 106 -8.077 12.728 5.270 842 HG23 VAL 106 2HG2 VAL 106 -8.261 13.023 3.541 843 H VAL 107 H VAL 107 -5.744 9.858 2.274 844 HA VAL 107 HA VAL 107 -4.990 7.440 3.481 845 HB VAL 107 HB VAL 107 -5.818 7.465 1.212 846 HG11 VAL 107 1HG1 VAL 107 -5.071 9.527 0.349 847 HG12 VAL 107 2HG1 VAL 107 -3.378 9.129 0.649 848 HG13 VAL 107 3HG1 VAL 107 -4.271 8.291 -0.621 849 HG21 VAL 107 3HG2 VAL 107 -4.331 5.905 0.234 850 HG22 VAL 107 1HG2 VAL 107 -2.941 6.598 1.071 851 HG23 VAL 107 2HG2 VAL 107 -4.165 5.710 1.979 852 H GLU 108 H GLU 108 -3.113 10.203 2.410 853 HA GLU 108 HA GLU 108 -0.563 9.083 2.395 854 HB2 GLU 108 1HB GLU 108 -1.477 11.877 3.084 855 HB3 GLU 108 2HB GLU 108 0.215 11.428 2.923 856 HG2 GLU 108 1HG GLU 108 -1.714 10.896 0.704 857 HG3 GLU 108 2HG GLU 108 -1.006 12.496 0.920 858 H LEU 109 H LEU 109 -2.590 10.083 5.054 859 HA LEU 109 HA LEU 109 -0.610 10.187 7.062 860 HB2 LEU 109 1HB LEU 109 -3.561 9.604 7.228 861 HB3 LEU 109 2HB LEU 109 -2.523 9.870 8.627 862 HG LEU 109 HG LEU 109 -2.829 11.946 6.478 863 HD11 LEU 109 1HD1 LEU 109 -5.068 11.340 7.323 864 HD12 LEU 109 2HD1 LEU 109 -4.589 12.979 7.760 865 HD13 LEU 109 3HD1 LEU 109 -4.518 11.691 8.962 866 HD21 LEU 109 3HD2 LEU 109 -2.423 13.317 8.693 867 HD22 LEU 109 1HD2 LEU 109 -1.081 12.609 7.793 868 HD23 LEU 109 2HD2 LEU 109 -1.706 11.797 9.229 869 H VAL 110 H VAL 110 -2.234 7.561 5.506 870 HA VAL 110 HA VAL 110 -1.398 5.647 7.546 871 HB VAL 110 HB VAL 110 -2.902 5.139 4.976 872 HG11 VAL 110 1HG1 VAL 110 -1.986 3.429 7.218 873 HG12 VAL 110 2HG1 VAL 110 -3.587 3.105 6.549 874 HG13 VAL 110 3HG1 VAL 110 -2.167 3.053 5.504 875 HG21 VAL 110 3HG2 VAL 110 -4.484 6.334 6.084 876 HG22 VAL 110 1HG2 VAL 110 -4.749 4.776 6.868 877 HG23 VAL 110 2HG2 VAL 110 -3.777 6.011 7.668 878 H LEU 111 H LEU 111 -0.286 6.963 4.618 879 HA LEU 111 HA LEU 111 1.260 4.663 3.804 880 HB2 LEU 111 1HB LEU 111 1.269 7.518 2.840 881 HB3 LEU 111 2HB LEU 111 2.193 6.207 2.109 882 HG LEU 111 HG LEU 111 -0.808 6.148 2.303 883 HD11 LEU 111 1HD1 LEU 111 -0.871 7.826 0.842 884 HD12 LEU 111 2HD1 LEU 111 -0.170 6.703 -0.323 885 HD13 LEU 111 3HD1 LEU 111 0.875 7.785 0.597 886 HD21 LEU 111 3HD2 LEU 111 -0.312 4.693 0.200 887 HD22 LEU 111 1HD2 LEU 111 -0.097 4.010 1.812 888 HD23 LEU 111 2HD2 LEU 111 1.304 4.570 0.898 889 H ILE 112 H ILE 112 1.719 7.541 5.701 890 HA ILE 112 HA ILE 112 4.500 7.755 5.659 891 HB ILE 112 HB ILE 112 2.370 8.596 7.545 892 HG12 ILE 112 1HG1 ILE 112 4.752 10.101 6.457 893 HG13 ILE 112 2HG1 ILE 112 3.241 9.925 5.571 894 HG21 ILE 112 1HG2 ILE 112 3.749 7.884 9.249 895 HG22 ILE 112 2HG2 ILE 112 5.221 8.179 8.325 896 HG23 ILE 112 3HG2 ILE 112 4.317 9.534 9.000 897 HD11 ILE 112 3HD1 ILE 112 2.069 11.031 7.443 898 HD12 ILE 112 1HD1 ILE 112 3.630 11.294 8.220 899 HD13 ILE 112 2HD1 ILE 112 3.279 12.053 6.667 900 HA PRO 113 HA PRO 113 4.629 4.846 9.518 901 HB2 PRO 113 1HB PRO 113 2.356 3.493 10.130 902 HB3 PRO 113 2HB PRO 113 2.729 5.091 10.787 903 HG2 PRO 113 1HG PRO 113 0.947 4.353 8.498 904 HG3 PRO 113 2HG PRO 113 0.673 5.531 9.795 905 HD2 PRO 113 1HD PRO 113 1.475 6.258 7.314 906 HD3 PRO 113 2HD PRO 113 1.960 7.146 8.772 907 H LEU 114 H LEU 114 2.475 3.839 6.898 908 HA LEU 114 HA LEU 114 2.788 1.130 6.873 909 HB2 LEU 114 1HB LEU 114 1.422 2.467 5.288 910 HB3 LEU 114 2HB LEU 114 2.901 2.890 4.428 911 HG LEU 114 HG LEU 114 3.114 0.244 4.280 912 HD11 LEU 114 1HD1 LEU 114 0.366 -0.011 3.690 913 HD12 LEU 114 2HD1 LEU 114 0.494 0.628 5.328 914 HD13 LEU 114 3HD1 LEU 114 1.309 -0.877 4.903 915 HD21 LEU 114 3HD2 LEU 114 1.282 1.832 2.488 916 HD22 LEU 114 1HD2 LEU 114 2.188 0.379 2.064 917 HD23 LEU 114 2HD2 LEU 114 3.045 1.880 2.420 918 H ARG 115 H ARG 115 5.092 3.550 5.751 919 HA ARG 115 HA ARG 115 6.936 1.654 4.667 920 HB2 ARG 115 1HB ARG 115 6.901 3.949 3.855 921 HB3 ARG 115 2HB ARG 115 7.302 4.548 5.459 922 HG2 ARG 115 1HG ARG 115 9.462 3.353 5.321 923 HG3 ARG 115 2HG ARG 115 9.058 2.885 3.668 924 HD2 ARG 115 1HD ARG 115 10.382 4.779 3.388 925 HD3 ARG 115 2HD ARG 115 8.738 5.402 3.257 926 HE ARG 115 HE ARG 115 9.442 5.638 5.915 927 HH11 ARG 115 1HH1 ARG 115 10.589 6.843 2.857 928 HH12 ARG 115 2HH1 ARG 115 11.204 8.320 3.522 929 HH21 ARG 115 1HH2 ARG 115 10.247 7.579 6.803 930 HH22 ARG 115 2HH2 ARG 115 11.010 8.737 5.767 931 H GLN 116 H GLN 116 6.685 3.427 7.719 932 HA GLN 116 HA GLN 116 9.135 2.625 8.822 933 HB2 GLN 116 1HB GLN 116 6.532 3.517 10.031 934 HB3 GLN 116 2HB GLN 116 7.887 3.038 11.044 935 HG2 GLN 116 1HG GLN 116 7.505 5.541 10.387 936 HG3 GLN 116 2HG GLN 116 9.130 4.865 10.496 937 HE21 GLN 116 1HE2 GLN 116 7.136 6.708 8.657 938 HE22 GLN 116 2HE2 GLN 116 7.914 6.541 7.124 939 H ARG 117 H ARG 117 6.000 1.055 8.703 940 HA ARG 117 HA ARG 117 6.628 -1.003 10.573 941 HB2 ARG 117 1HB ARG 117 4.492 -0.755 8.454 942 HB3 ARG 117 2HB ARG 117 4.616 -2.138 9.533 943 HG2 ARG 117 1HG ARG 117 4.420 0.657 10.595 944 HG3 ARG 117 2HG ARG 117 2.986 -0.269 10.147 945 HD2 ARG 117 1HD ARG 117 3.324 -1.843 11.816 946 HD3 ARG 117 2HD ARG 117 5.038 -1.460 11.965 947 HE ARG 117 HE ARG 117 2.870 -0.212 13.348 948 HH11 ARG 117 1HH1 ARG 117 6.072 0.295 12.078 949 HH12 ARG 117 2HH1 ARG 117 6.451 1.571 13.188 950 HH21 ARG 117 1HH2 ARG 117 3.358 1.466 14.814 951 HH22 ARG 117 2HH2 ARG 117 4.907 2.235 14.744 952 H LEU 118 H LEU 118 6.596 -0.832 7.026 953 HA LEU 118 HA LEU 118 7.358 -3.507 6.573 954 HB2 LEU 118 1HB LEU 118 7.761 -1.053 4.870 955 HB3 LEU 118 2HB LEU 118 8.008 -2.710 4.321 956 HG LEU 118 HG LEU 118 5.343 -1.850 5.381 957 HD11 LEU 118 1HD1 LEU 118 4.639 -1.085 3.263 958 HD12 LEU 118 2HD1 LEU 118 6.135 -1.609 2.492 959 HD13 LEU 118 3HD1 LEU 118 6.149 -0.242 3.606 960 HD21 LEU 118 3HD2 LEU 118 6.082 -3.841 3.246 961 HD22 LEU 118 1HD2 LEU 118 4.526 -3.650 4.056 962 HD23 LEU 118 2HD2 LEU 118 5.919 -4.252 4.954 963 H GLU 119 H GLU 119 9.281 -0.512 6.647 964 HA GLU 119 HA GLU 119 11.770 -1.514 6.070 965 HB2 GLU 119 1HB GLU 119 10.919 0.684 7.943 966 HB3 GLU 119 2HB GLU 119 12.615 0.313 7.665 967 HG2 GLU 119 1HG GLU 119 12.174 0.648 5.213 968 HG3 GLU 119 2HG GLU 119 10.591 1.276 5.667 969 H GLU 120 H GLU 120 9.972 -1.756 9.068 970 HA GLU 120 HA GLU 120 11.946 -2.518 10.841 971 HB2 GLU 120 1HB GLU 120 9.350 -2.205 11.129 972 HB3 GLU 120 2HB GLU 120 9.317 -3.945 10.879 973 HG2 GLU 120 1HG GLU 120 11.115 -4.003 12.736 974 HG3 GLU 120 2HG GLU 120 10.532 -2.384 13.115 975 H ARG 121 H ARG 121 10.021 -4.631 8.717 976 HA ARG 121 HA ARG 121 11.462 -6.987 9.436 977 HB2 ARG 121 1HB ARG 121 9.513 -6.340 7.232 978 HB3 ARG 121 2HB ARG 121 10.288 -7.914 7.355 979 HG2 ARG 121 1HG ARG 121 9.211 -8.419 9.365 980 HG3 ARG 121 2HG ARG 121 8.771 -6.734 9.654 981 HD2 ARG 121 1HD ARG 121 7.044 -6.785 8.122 982 HD3 ARG 121 2HD ARG 121 7.743 -8.132 7.225 983 HE ARG 121 HE ARG 121 6.578 -9.554 8.570 984 HH11 ARG 121 1HH1 ARG 121 6.861 -6.483 10.185 985 HH12 ARG 121 2HH1 ARG 121 5.851 -6.942 11.516 986 HH21 ARG 121 1HH2 ARG 121 5.247 -10.171 10.317 987 HH22 ARG 121 2HH2 ARG 121 4.934 -9.040 11.590 988 H GLN 122 H GLN 122 11.769 -4.561 6.939 989 HA GLN 122 HA GLN 122 13.349 -5.837 5.077 990 HB2 GLN 122 1HB GLN 122 12.450 -3.490 4.949 991 HB3 GLN 122 2HB GLN 122 13.766 -2.994 6.005 992 HG2 GLN 122 1HG GLN 122 15.268 -4.120 4.201 993 HG3 GLN 122 2HG GLN 122 13.854 -3.907 3.170 994 HE21 GLN 122 1HE2 GLN 122 16.686 -2.602 3.756 995 HE22 GLN 122 2HE2 GLN 122 16.345 -0.923 3.531 996 H ARG 123 H ARG 123 14.338 -4.310 8.114 997 HA ARG 123 HA ARG 123 17.003 -4.235 8.062 998 HB2 ARG 123 1HB ARG 123 17.059 -4.615 10.387 999 HB3 ARG 123 2HB ARG 123 15.460 -3.952 10.074 1000 HG2 ARG 123 1HG ARG 123 14.556 -6.261 10.084 1001 HG3 ARG 123 2HG ARG 123 16.158 -6.841 10.546 1002 HD2 ARG 123 1HD ARG 123 16.073 -5.738 12.623 1003 HD3 ARG 123 2HD ARG 123 14.706 -4.741 12.127 1004 HE ARG 123 HE ARG 123 13.281 -6.471 12.650 1005 HH11 ARG 123 1HH1 ARG 123 16.575 -7.598 12.688 1006 HH12 ARG 123 2HH1 ARG 123 16.183 -9.121 13.415 1007 HH21 ARG 123 1HH2 ARG 123 12.753 -8.472 13.608 1008 HH22 ARG 123 2HH2 ARG 123 14.008 -9.618 13.937 1009 H ARG 124 H ARG 124 15.120 -7.220 8.285 1010 HA ARG 124 HA ARG 124 16.934 -9.137 8.803 1011 HB2 ARG 124 1HB ARG 124 14.829 -9.154 6.640 1012 HB3 ARG 124 2HB ARG 124 15.724 -10.587 7.127 1013 HG2 ARG 124 1HG ARG 124 14.125 -8.945 9.067 1014 HG3 ARG 124 2HG ARG 124 13.432 -10.280 8.143 1015 HD2 ARG 124 1HD ARG 124 15.946 -10.737 9.677 1016 HD3 ARG 124 2HD ARG 124 14.417 -10.659 10.553 1017 HE ARG 124 HE ARG 124 15.331 -12.781 8.856 1018 HH11 ARG 124 1HH1 ARG 124 12.519 -11.176 10.137 1019 HH12 ARG 124 2HH1 ARG 124 11.491 -12.561 9.969 1020 HH21 ARG 124 1HH2 ARG 124 13.988 -14.610 8.629 1021 HH22 ARG 124 2HH2 ARG 124 12.328 -14.514 9.112 1022 H ARG 125 H ARG 125 18.798 -9.860 7.998 1023 HA ARG 125 HA ARG 125 20.342 -8.587 6.165 1024 HB2 ARG 125 1HB ARG 125 20.283 -11.560 6.712 1025 HB3 ARG 125 2HB ARG 125 21.591 -10.718 5.892 1026 HG2 ARG 125 1HG ARG 125 20.752 -9.821 8.608 1027 HG3 ARG 125 2HG ARG 125 21.755 -11.262 8.433 1028 HD2 ARG 125 1HD ARG 125 22.386 -8.482 7.453 1029 HD3 ARG 125 2HD ARG 125 23.168 -9.339 8.780 1030 HE ARG 125 HE ARG 125 23.524 -10.951 6.599 1031 HH11 ARG 125 1HH1 ARG 125 24.278 -7.645 7.390 1032 HH12 ARG 125 2HH1 ARG 125 25.686 -7.588 6.381 1033 HH21 ARG 125 1HH2 ARG 125 25.375 -10.888 5.268 1034 HH22 ARG 125 2HH2 ARG 125 26.308 -9.433 5.174 1035 H LYS 126 H LYS 126 20.693 -8.620 3.982 1036 HA LYS 126 HA LYS 126 19.180 -10.443 2.297 1037 HB2 LYS 126 1HB LYS 126 17.808 -8.309 2.804 1038 HB3 LYS 126 2HB LYS 126 18.957 -7.495 1.749 1039 HG2 LYS 126 1HG LYS 126 18.217 -8.593 -0.132 1040 HG3 LYS 126 2HG LYS 126 17.570 -9.954 0.788 1041 HD2 LYS 126 1HD LYS 126 15.667 -8.797 0.083 1042 HD3 LYS 126 2HD LYS 126 15.900 -8.252 1.745 1043 HE2 LYS 126 1HE LYS 126 15.420 -6.325 0.440 1044 HE3 LYS 126 2HE LYS 126 17.141 -6.277 0.817 1045 HZ1 LYS 126 3HZ LYS 126 16.977 -5.745 -1.442 1046 HZ2 LYS 126 1HZ LYS 126 15.854 -6.971 -1.755 1047 HZ3 LYS 126 2HZ LYS 126 17.466 -7.364 -1.427 1048 H GLN 127 H GLN 127 19.843 -10.336 0.030 1049 HA GLN 127 HA GLN 127 21.634 -10.635 -1.391 1050 HB2 GLN 127 1HB GLN 127 22.364 -8.560 -2.337 1051 HB3 GLN 127 2HB GLN 127 20.678 -8.372 -1.874 1052 HG2 GLN 127 1HG GLN 127 22.856 -7.525 -0.013 1053 HG3 GLN 127 2HG GLN 127 22.364 -6.487 -1.351 1054 HE21 GLN 127 1HE2 GLN 127 22.131 -6.136 1.563 1055 HE22 GLN 127 2HE2 GLN 127 20.454 -5.852 1.862 Start of MODEL 3 1 H1 GLY 1 H GLY 1 30.069 31.724 12.991 2 HA2 GLY 1 1HA GLY 1 28.548 34.150 12.973 3 HA3 GLY 1 2HA GLY 1 27.902 32.516 12.951 4 H SER 2 H SER 2 26.706 34.555 14.407 5 HA SER 2 HA SER 2 27.304 33.752 17.180 6 HB2 SER 2 1HB SER 2 26.378 35.958 17.868 7 HB3 SER 2 2HB SER 2 27.822 36.105 16.867 8 HG SER 2 HG SER 2 26.297 37.534 16.096 9 H SER 3 H SER 3 24.715 34.829 14.995 10 HA SER 3 HA SER 3 22.486 34.496 16.490 11 HB2 SER 3 1HB SER 3 23.010 33.815 13.607 12 HB3 SER 3 2HB SER 3 21.414 33.572 14.316 13 HG SER 3 HG SER 3 22.378 35.797 13.351 14 H GLY 4 H GLY 4 20.885 32.713 16.573 15 HA2 GLY 4 1HA GLY 4 22.256 30.112 16.877 16 HA3 GLY 4 2HA GLY 4 20.989 30.669 17.959 17 H SER 5 H SER 5 20.252 28.414 17.259 18 HA SER 5 HA SER 5 18.101 28.756 15.397 19 HB2 SER 5 1HB SER 5 20.174 28.207 13.976 20 HB3 SER 5 2HB SER 5 20.073 26.593 14.678 21 HG SER 5 HG SER 5 17.734 26.818 13.927 22 H SER 6 H SER 6 16.438 27.688 16.222 23 HA SER 6 HA SER 6 16.982 25.346 17.925 24 HB2 SER 6 1HB SER 6 14.997 25.890 19.188 25 HB3 SER 6 2HB SER 6 15.992 27.341 19.076 26 HG SER 6 HG SER 6 14.619 28.147 17.525 27 H GLY 7 H GLY 7 14.853 23.958 18.112 28 HA2 GLY 7 1HA GLY 7 13.561 23.704 15.489 29 HA3 GLY 7 2HA GLY 7 14.440 22.321 16.123 30 H MET 8 H MET 8 11.802 24.567 16.883 31 HA MET 8 HA MET 8 10.724 22.928 18.955 32 HB2 MET 8 1HB MET 8 9.865 25.389 17.508 33 HB3 MET 8 2HB MET 8 8.642 24.476 18.382 34 HG2 MET 8 1HG MET 8 9.295 25.941 19.996 35 HG3 MET 8 2HG MET 8 10.387 24.599 20.329 36 HE1 MET 8 3HE MET 8 10.357 27.984 20.796 37 HE2 MET 8 1HE MET 8 11.475 26.978 21.719 38 HE3 MET 8 2HE MET 8 12.087 28.330 20.766 39 H ALA 9 H ALA 9 8.549 21.969 18.886 40 HA ALA 9 HA ALA 9 8.266 20.309 16.546 41 HB1 ALA 9 3HB ALA 9 7.678 20.020 19.247 42 HB2 ALA 9 1HB ALA 9 6.105 20.069 18.449 43 HB3 ALA 9 2HB ALA 9 7.309 18.878 17.954 44 H SER 10 H SER 10 6.349 20.101 15.291 45 HA SER 10 HA SER 10 4.285 22.112 15.501 46 HB2 SER 10 1HB SER 10 6.203 22.081 13.162 47 HB3 SER 10 2HB SER 10 4.648 22.913 13.143 48 HG SER 10 HG SER 10 6.522 24.217 13.749 49 H SER 11 H SER 11 2.702 21.863 13.608 50 HA SER 11 HA SER 11 2.072 19.055 13.397 51 HB2 SER 11 1HB SER 11 0.592 21.407 12.199 52 HB3 SER 11 2HB SER 11 -0.035 19.779 12.456 53 HG SER 11 HG SER 11 0.049 20.116 14.660 54 H VAL 12 H VAL 12 1.547 18.007 11.369 55 HA VAL 12 HA VAL 12 3.542 17.925 9.524 56 HB VAL 12 HB VAL 12 0.616 17.421 8.966 57 HG11 VAL 12 1HG1 VAL 12 1.368 17.293 6.846 58 HG12 VAL 12 2HG1 VAL 12 3.050 17.096 7.342 59 HG13 VAL 12 3HG1 VAL 12 1.955 15.713 7.362 60 HG21 VAL 12 3HG2 VAL 12 0.819 15.382 9.920 61 HG22 VAL 12 1HG2 VAL 12 2.498 15.195 9.416 62 HG23 VAL 12 2HG2 VAL 12 2.106 16.173 10.830 63 H ASP 13 H ASP 13 4.000 18.840 7.540 64 HA ASP 13 HA ASP 13 2.361 21.138 6.718 65 HB2 ASP 13 1HB ASP 13 5.378 21.096 6.936 66 HB3 ASP 13 2HB ASP 13 4.438 22.397 6.212 67 H GLU 14 H GLU 14 3.077 21.913 4.469 68 HA GLU 14 HA GLU 14 2.623 19.906 2.614 69 HB2 GLU 14 1HB GLU 14 3.406 21.537 0.912 70 HB3 GLU 14 2HB GLU 14 2.257 22.224 2.052 71 HG2 GLU 14 1HG GLU 14 4.332 23.036 3.331 72 HG3 GLU 14 2HG GLU 14 5.202 22.698 1.836 73 H GLU 15 H GLU 15 5.689 21.262 3.739 74 HA GLU 15 HA GLU 15 7.427 20.046 1.954 75 HB2 GLU 15 1HB GLU 15 9.139 20.265 3.711 76 HB3 GLU 15 2HB GLU 15 8.172 21.724 3.548 77 HG2 GLU 15 1HG GLU 15 6.875 21.111 5.506 78 HG3 GLU 15 2HG GLU 15 7.792 19.613 5.659 79 H ALA 16 H ALA 16 5.998 18.762 4.920 80 HA ALA 16 HA ALA 16 7.450 16.345 4.990 81 HB1 ALA 16 3HB ALA 16 5.358 15.585 6.337 82 HB2 ALA 16 1HB ALA 16 6.413 16.838 6.991 83 HB3 ALA 16 2HB ALA 16 4.892 17.282 6.216 84 H LEU 17 H LEU 17 4.518 17.309 3.322 85 HA LEU 17 HA LEU 17 3.636 14.738 2.571 86 HB2 LEU 17 1HB LEU 17 3.234 17.354 1.128 87 HB3 LEU 17 2HB LEU 17 2.291 15.884 0.897 88 HG LEU 17 HG LEU 17 2.392 17.325 3.535 89 HD11 LEU 17 1HD1 LEU 17 1.535 18.638 1.408 90 HD12 LEU 17 2HD1 LEU 17 0.699 18.735 2.957 91 HD13 LEU 17 3HD1 LEU 17 0.089 17.669 1.692 92 HD21 LEU 17 3HD2 LEU 17 0.523 15.310 2.298 93 HD22 LEU 17 1HD2 LEU 17 0.204 16.162 3.809 94 HD23 LEU 17 2HD2 LEU 17 1.588 15.076 3.685 95 H HIS 18 H HIS 18 5.552 17.158 0.794 96 HA HIS 18 HA HIS 18 5.945 15.800 -1.567 97 HB2 HIS 18 1HB HIS 18 6.712 18.145 -0.974 98 HB3 HIS 18 2HB HIS 18 8.109 17.401 -0.201 99 HD1 HIS 18 1HD HIS 18 9.777 18.421 -1.859 100 HD2 HIS 18 2HD HIS 18 6.866 16.063 -3.656 101 HE1 HIS 18 1HE HIS 18 10.559 18.072 -4.223 102 HE2 HIS 18 2HE HIS 18 8.741 16.714 -5.315 103 H GLN 19 H GLN 19 8.045 15.677 1.311 104 HA GLN 19 HA GLN 19 9.959 13.925 0.483 105 HB2 GLN 19 1HB GLN 19 8.601 14.086 3.174 106 HB3 GLN 19 2HB GLN 19 10.043 13.125 2.874 107 HG2 GLN 19 1HG GLN 19 10.051 16.016 2.163 108 HG3 GLN 19 2HG GLN 19 10.219 15.538 3.851 109 HE21 GLN 19 1HE2 GLN 19 11.817 16.072 0.962 110 HE22 GLN 19 2HE2 GLN 19 13.336 15.356 1.366 111 H LEU 20 H LEU 20 6.632 13.212 1.260 112 HA LEU 20 HA LEU 20 7.028 10.350 1.229 113 HB2 LEU 20 1HB LEU 20 5.336 11.094 2.682 114 HB3 LEU 20 2HB LEU 20 4.621 12.130 1.448 115 HG LEU 20 HG LEU 20 4.225 9.776 0.266 116 HD11 LEU 20 1HD1 LEU 20 3.506 8.156 2.032 117 HD12 LEU 20 2HD1 LEU 20 4.347 9.162 3.211 118 HD13 LEU 20 3HD1 LEU 20 5.250 8.389 1.908 119 HD21 LEU 20 3HD2 LEU 20 1.979 9.907 0.976 120 HD22 LEU 20 1HD2 LEU 20 2.581 11.565 0.987 121 HD23 LEU 20 2HD2 LEU 20 2.424 10.674 2.501 122 H TYR 21 H TYR 21 5.918 12.850 -0.962 123 HA TYR 21 HA TYR 21 4.811 11.142 -2.928 124 HB2 TYR 21 1HB TYR 21 5.817 13.977 -2.973 125 HB3 TYR 21 2HB TYR 21 5.251 13.186 -4.440 126 HD1 TYR 21 1HD TYR 21 3.900 12.918 -0.981 127 HD2 TYR 21 2HD TYR 21 3.266 14.303 -4.954 128 HE1 TYR 21 1HE TYR 21 1.584 13.508 -0.400 129 HE2 TYR 21 2HE TYR 21 0.949 14.898 -4.383 130 HH TYR 21 HH TYR 21 -0.274 15.524 -2.067 131 H LEU 22 H LEU 22 8.046 12.420 -2.383 132 HA LEU 22 HA LEU 22 9.195 11.658 -4.829 133 HB2 LEU 22 1HB LEU 22 10.493 11.874 -2.117 134 HB3 LEU 22 2HB LEU 22 11.342 11.821 -3.661 135 HG LEU 22 HG LEU 22 9.380 14.004 -3.027 136 HD11 LEU 22 1HD1 LEU 22 11.083 13.898 -1.231 137 HD12 LEU 22 2HD1 LEU 22 11.177 15.368 -2.200 138 HD13 LEU 22 3HD1 LEU 22 12.339 14.067 -2.458 139 HD21 LEU 22 3HD2 LEU 22 9.854 14.265 -5.226 140 HD22 LEU 22 1HD2 LEU 22 11.396 13.418 -5.110 141 HD23 LEU 22 2HD2 LEU 22 11.269 15.094 -4.577 142 H TRP 23 H TRP 23 9.362 10.012 -1.667 143 HA TRP 23 HA TRP 23 10.738 7.772 -2.251 144 HB2 TRP 23 1HB TRP 23 9.989 7.859 -0.056 145 HB3 TRP 23 2HB TRP 23 8.328 8.206 -0.528 146 HD1 TRP 23 HD TRP 23 10.718 5.185 -1.114 147 HE1 TRP 23 1HE TRP 23 9.388 3.034 -0.634 148 HE3 TRP 23 3HE TRP 23 6.221 7.272 0.136 149 HZ2 TRP 23 2HZ TRP 23 6.778 2.317 0.167 150 HZ3 TRP 23 3HZ TRP 23 4.359 5.783 0.746 151 HH2 TRP 23 HH TRP 23 4.634 3.357 0.760 152 H VAL 24 H VAL 24 7.349 8.348 -3.089 153 HA VAL 24 HA VAL 24 6.842 5.793 -4.183 154 HB VAL 24 HB VAL 24 5.519 8.449 -4.737 155 HG11 VAL 24 1HG1 VAL 24 4.509 7.461 -6.455 156 HG12 VAL 24 2HG1 VAL 24 5.230 5.900 -6.061 157 HG13 VAL 24 3HG1 VAL 24 3.722 6.396 -5.292 158 HG21 VAL 24 3HG2 VAL 24 4.151 6.297 -3.250 159 HG22 VAL 24 1HG2 VAL 24 5.500 7.079 -2.426 160 HG23 VAL 24 2HG2 VAL 24 4.136 8.041 -2.994 161 H ASP 25 H ASP 25 7.585 8.894 -5.778 162 HA ASP 25 HA ASP 25 7.631 8.064 -8.398 163 HB2 ASP 25 1HB ASP 25 8.079 10.411 -7.283 164 HB3 ASP 25 2HB ASP 25 9.766 9.937 -7.462 165 H ASN 26 H ASN 26 10.246 7.867 -6.015 166 HA ASN 26 HA ASN 26 12.307 6.979 -7.618 167 HB2 ASN 26 1HB ASN 26 12.888 7.445 -5.399 168 HB3 ASN 26 2HB ASN 26 11.598 6.437 -4.749 169 HD21 ASN 26 1HD2 ASN 26 14.376 6.048 -6.930 170 HD22 ASN 26 2HD2 ASN 26 14.963 4.599 -6.194 171 H ILE 27 H ILE 27 9.983 4.942 -5.839 172 HA ILE 27 HA ILE 27 10.864 2.484 -6.844 173 HB ILE 27 HB ILE 27 8.087 3.251 -5.938 174 HG12 ILE 27 1HG1 ILE 27 10.240 1.809 -4.389 175 HG13 ILE 27 2HG1 ILE 27 10.013 3.553 -4.311 176 HG21 ILE 27 1HG2 ILE 27 7.433 1.094 -6.083 177 HG22 ILE 27 2HG2 ILE 27 8.672 1.034 -7.335 178 HG23 ILE 27 3HG2 ILE 27 9.039 0.469 -5.706 179 HD11 ILE 27 3HD1 ILE 27 8.887 1.821 -2.607 180 HD12 ILE 27 1HD1 ILE 27 8.186 3.386 -3.016 181 HD13 ILE 27 2HD1 ILE 27 7.613 1.925 -3.822 182 HA PRO 28 HA PRO 28 9.516 2.663 -11.053 183 HB2 PRO 28 1HB PRO 28 9.801 0.025 -11.623 184 HB3 PRO 28 2HB PRO 28 11.173 1.130 -11.478 185 HG2 PRO 28 1HG PRO 28 10.079 -0.804 -9.472 186 HG3 PRO 28 2HG PRO 28 11.768 -0.464 -9.892 187 HD2 PRO 28 1HD PRO 28 10.577 0.572 -7.692 188 HD3 PRO 28 2HD PRO 28 11.840 1.437 -8.590 189 H LEU 29 H LEU 29 7.425 2.950 -11.509 190 HA LEU 29 HA LEU 29 5.588 0.704 -11.155 191 HB2 LEU 29 1HB LEU 29 5.183 3.480 -10.079 192 HB3 LEU 29 2HB LEU 29 3.836 2.388 -10.394 193 HG LEU 29 HG LEU 29 6.077 1.551 -8.591 194 HD11 LEU 29 1HD1 LEU 29 4.043 2.419 -6.934 195 HD12 LEU 29 2HD1 LEU 29 4.203 3.711 -8.123 196 HD13 LEU 29 3HD1 LEU 29 5.604 3.204 -7.180 197 HD21 LEU 29 3HD2 LEU 29 4.667 -0.101 -7.921 198 HD22 LEU 29 1HD2 LEU 29 4.036 0.143 -9.550 199 HD23 LEU 29 2HD2 LEU 29 3.220 0.878 -8.170 200 H SER 30 H SER 30 4.711 0.306 -13.064 201 HA SER 30 HA SER 30 4.962 1.629 -15.391 202 HB2 SER 30 1HB SER 30 3.904 -0.486 -15.466 203 HB3 SER 30 2HB SER 30 2.616 0.029 -14.376 204 HG SER 30 HG SER 30 1.594 0.335 -16.200 205 H ARG 31 H ARG 31 2.244 2.133 -13.143 206 HA ARG 31 HA ARG 31 0.821 4.043 -14.482 207 HB2 ARG 31 1HB ARG 31 1.349 3.595 -11.569 208 HB3 ARG 31 2HB ARG 31 0.435 5.010 -12.073 209 HG2 ARG 31 1HG ARG 31 -0.978 3.276 -13.409 210 HG3 ARG 31 2HG ARG 31 -0.282 2.125 -12.267 211 HD2 ARG 31 1HD ARG 31 -1.192 3.314 -10.406 212 HD3 ARG 31 2HD ARG 31 -1.695 4.652 -11.439 213 HE ARG 31 HE ARG 31 -3.586 3.480 -11.951 214 HH11 ARG 31 1HH1 ARG 31 -1.216 1.277 -10.667 215 HH12 ARG 31 2HH1 ARG 31 -2.302 -0.073 -10.627 216 HH21 ARG 31 1HH2 ARG 31 -5.025 1.711 -11.903 217 HH22 ARG 31 2HH2 ARG 31 -4.468 0.175 -11.331 218 HA PRO 32 HA PRO 32 3.188 7.722 -14.808 219 HB2 PRO 32 1HB PRO 32 1.318 9.644 -14.381 220 HB3 PRO 32 2HB PRO 32 1.378 8.673 -15.857 221 HG2 PRO 32 1HG PRO 32 -0.360 8.343 -13.442 222 HG3 PRO 32 2HG PRO 32 -0.792 8.214 -15.157 223 HD2 PRO 32 1HD PRO 32 -0.350 6.044 -13.598 224 HD3 PRO 32 2HD PRO 32 0.032 6.068 -15.332 225 H LYS 33 H LYS 33 3.097 10.104 -13.597 226 HA LYS 33 HA LYS 33 3.385 9.525 -10.722 227 HB2 LYS 33 1HB LYS 33 5.221 11.320 -10.813 228 HB3 LYS 33 2HB LYS 33 5.602 9.726 -11.453 229 HG2 LYS 33 1HG LYS 33 4.573 11.814 -13.309 230 HG3 LYS 33 2HG LYS 33 6.250 11.894 -12.764 231 HD2 LYS 33 1HD LYS 33 4.995 9.452 -14.010 232 HD3 LYS 33 2HD LYS 33 5.912 10.660 -14.914 233 HE2 LYS 33 1HE LYS 33 7.701 10.173 -13.021 234 HE3 LYS 33 2HE LYS 33 6.843 8.634 -12.946 235 HZ1 LYS 33 3HZ LYS 33 8.800 9.373 -14.752 236 HZ2 LYS 33 1HZ LYS 33 7.358 9.344 -15.637 237 HZ3 LYS 33 2HZ LYS 33 7.855 7.970 -14.785 238 H ARG 34 H ARG 34 0.999 10.428 -11.546 239 HA ARG 34 HA ARG 34 0.984 13.337 -11.243 240 HB2 ARG 34 1HB ARG 34 -1.007 11.315 -12.196 241 HB3 ARG 34 2HB ARG 34 -1.574 12.874 -11.611 242 HG2 ARG 34 1HG ARG 34 -1.378 13.131 -13.924 243 HG3 ARG 34 2HG ARG 34 0.061 13.909 -13.262 244 HD2 ARG 34 1HD ARG 34 1.258 11.712 -13.649 245 HD3 ARG 34 2HD ARG 34 -0.156 11.211 -14.576 246 HE ARG 34 HE ARG 34 0.486 12.624 -16.276 247 HH11 ARG 34 1HH1 ARG 34 2.389 13.258 -13.431 248 HH12 ARG 34 2HH1 ARG 34 3.514 14.286 -14.253 249 HH21 ARG 34 1HH2 ARG 34 1.961 13.976 -17.370 250 HH22 ARG 34 2HH2 ARG 34 3.269 14.695 -16.494 251 H ASN 35 H ASN 35 -1.191 14.009 -9.980 252 HA ASN 35 HA ASN 35 -0.741 13.901 -7.326 253 HB2 ASN 35 1HB ASN 35 -3.369 14.017 -8.798 254 HB3 ASN 35 2HB ASN 35 -3.280 14.160 -7.044 255 HD21 ASN 35 1HD2 ASN 35 -1.249 15.708 -6.504 256 HD22 ASN 35 2HD2 ASN 35 -1.380 17.254 -7.265 257 H LEU 36 H LEU 36 -0.190 12.103 -6.243 258 HA LEU 36 HA LEU 36 -1.406 9.560 -6.699 259 HB2 LEU 36 1HB LEU 36 -0.060 8.802 -4.819 260 HB3 LEU 36 2HB LEU 36 0.899 9.748 -5.956 261 HG LEU 36 HG LEU 36 0.305 11.692 -4.241 262 HD11 LEU 36 1HD1 LEU 36 -0.877 9.616 -2.943 263 HD12 LEU 36 2HD1 LEU 36 -0.291 11.088 -2.168 264 HD13 LEU 36 3HD1 LEU 36 0.717 9.641 -2.189 265 HD21 LEU 36 3HD2 LEU 36 2.540 10.516 -4.972 266 HD22 LEU 36 1HD2 LEU 36 2.439 9.813 -3.357 267 HD23 LEU 36 2HD2 LEU 36 2.486 11.565 -3.554 268 H SER 37 H SER 37 -1.761 12.094 -4.273 269 HA SER 37 HA SER 37 -3.197 10.946 -2.296 270 HB2 SER 37 1HB SER 37 -2.654 13.374 -2.453 271 HB3 SER 37 2HB SER 37 -3.976 13.563 -3.605 272 HG SER 37 HG SER 37 -5.374 12.753 -1.930 273 H ARG 38 H ARG 38 -4.395 11.744 -5.513 274 HA ARG 38 HA ARG 38 -7.053 10.750 -4.857 275 HB2 ARG 38 1HB ARG 38 -6.412 12.798 -6.388 276 HB3 ARG 38 2HB ARG 38 -6.245 11.555 -7.621 277 HG2 ARG 38 1HG ARG 38 -8.424 12.233 -7.905 278 HG3 ARG 38 2HG ARG 38 -8.613 10.831 -6.850 279 HD2 ARG 38 1HD ARG 38 -9.986 12.466 -5.895 280 HD3 ARG 38 2HD ARG 38 -8.520 12.497 -4.916 281 HE ARG 38 HE ARG 38 -8.323 14.379 -7.010 282 HH11 ARG 38 1HH1 ARG 38 -9.959 13.833 -3.986 283 HH12 ARG 38 2HH1 ARG 38 -10.144 15.519 -3.633 284 HH21 ARG 38 1HH2 ARG 38 -8.561 16.602 -6.556 285 HH22 ARG 38 2HH2 ARG 38 -9.349 17.093 -5.096 286 H ASP 39 H ASP 39 -4.136 9.696 -6.357 287 HA ASP 39 HA ASP 39 -5.352 7.545 -7.845 288 HB2 ASP 39 1HB ASP 39 -3.177 8.771 -8.438 289 HB3 ASP 39 2HB ASP 39 -2.424 7.794 -7.180 290 H PHE 40 H PHE 40 -2.939 7.557 -5.215 291 HA PHE 40 HA PHE 40 -2.986 4.919 -4.534 292 HB2 PHE 40 1HB PHE 40 -2.521 7.418 -2.981 293 HB3 PHE 40 2HB PHE 40 -2.700 5.916 -2.079 294 HD1 PHE 40 2HD PHE 40 -1.166 6.269 -5.421 295 HD2 PHE 40 1HD PHE 40 -0.510 5.677 -1.257 296 HE1 PHE 40 2HE PHE 40 1.190 5.723 -5.873 297 HE2 PHE 40 1HE PHE 40 1.848 5.131 -1.703 298 HZ PHE 40 HZ PHE 40 2.700 5.152 -4.013 299 H SER 41 H SER 41 -5.184 7.427 -3.308 300 HA SER 41 HA SER 41 -6.667 6.206 -1.455 301 HB2 SER 41 1HB SER 41 -7.433 8.020 -3.694 302 HB3 SER 41 2HB SER 41 -8.729 7.280 -2.754 303 HG SER 41 HG SER 41 -6.574 8.527 -1.447 304 H ASP 42 H ASP 42 -6.710 5.423 -4.873 305 HA ASP 42 HA ASP 42 -8.950 3.883 -5.142 306 HB2 ASP 42 1HB ASP 42 -7.496 4.278 -7.023 307 HB3 ASP 42 2HB ASP 42 -6.188 3.379 -6.261 308 H GLY 43 H GLY 43 -5.777 2.719 -3.998 309 HA2 GLY 43 1HA GLY 43 -5.739 1.274 -2.026 310 HA3 GLY 43 2HA GLY 43 -7.213 0.531 -2.628 311 H VAL 44 H VAL 44 -6.644 0.023 -5.233 312 HA VAL 44 HA VAL 44 -5.176 -2.349 -5.118 313 HB VAL 44 HB VAL 44 -5.736 -0.696 -7.584 314 HG11 VAL 44 1HG1 VAL 44 -5.379 -2.635 -8.852 315 HG12 VAL 44 2HG1 VAL 44 -4.047 -2.609 -7.694 316 HG13 VAL 44 3HG1 VAL 44 -5.425 -3.678 -7.431 317 HG21 VAL 44 3HG2 VAL 44 -7.782 -1.124 -6.329 318 HG22 VAL 44 1HG2 VAL 44 -7.752 -2.069 -7.818 319 HG23 VAL 44 2HG2 VAL 44 -7.402 -2.845 -6.274 320 H LEU 45 H LEU 45 -4.210 0.910 -6.033 321 HA LEU 45 HA LEU 45 -1.652 0.206 -7.045 322 HB2 LEU 45 1HB LEU 45 -2.618 2.288 -7.688 323 HB3 LEU 45 2HB LEU 45 -2.787 2.793 -6.008 324 HG LEU 45 HG LEU 45 -0.441 3.143 -5.795 325 HD11 LEU 45 1HD1 LEU 45 0.897 1.712 -6.858 326 HD12 LEU 45 2HD1 LEU 45 0.722 2.768 -8.259 327 HD13 LEU 45 3HD1 LEU 45 -0.318 1.355 -8.085 328 HD21 LEU 45 3HD2 LEU 45 -0.216 5.012 -7.110 329 HD22 LEU 45 1HD2 LEU 45 -1.958 4.750 -7.198 330 HD23 LEU 45 2HD2 LEU 45 -0.921 4.234 -8.528 331 H VAL 46 H VAL 46 -2.812 1.272 -3.878 332 HA VAL 46 HA VAL 46 -0.453 1.692 -2.540 333 HB VAL 46 HB VAL 46 -2.906 0.308 -1.444 334 HG11 VAL 46 1HG1 VAL 46 -0.803 0.089 -0.084 335 HG12 VAL 46 2HG1 VAL 46 -0.814 1.846 0.081 336 HG13 VAL 46 3HG1 VAL 46 -2.147 0.890 0.731 337 HG21 VAL 46 3HG2 VAL 46 -3.589 2.395 -2.312 338 HG22 VAL 46 1HG2 VAL 46 -3.380 2.644 -0.578 339 HG23 VAL 46 2HG2 VAL 46 -2.146 3.207 -1.706 340 H ALA 47 H ALA 47 -1.956 -1.374 -3.383 341 HA ALA 47 HA ALA 47 -0.316 -3.049 -1.817 342 HB1 ALA 47 3HB ALA 47 -2.437 -3.774 -2.828 343 HB2 ALA 47 1HB ALA 47 -1.687 -3.700 -4.423 344 HB3 ALA 47 2HB ALA 47 -1.103 -4.857 -3.226 345 H GLU 48 H GLU 48 -0.067 -2.044 -5.222 346 HA GLU 48 HA GLU 48 2.107 -3.465 -6.050 347 HB2 GLU 48 1HB GLU 48 1.473 -0.567 -6.628 348 HB3 GLU 48 2HB GLU 48 2.657 -1.516 -7.516 349 HG2 GLU 48 1HG GLU 48 -0.250 -2.249 -7.301 350 HG3 GLU 48 2HG GLU 48 0.434 -1.302 -8.621 351 H VAL 49 H VAL 49 2.214 -0.337 -4.352 352 HA VAL 49 HA VAL 49 4.927 0.065 -4.231 353 HB VAL 49 HB VAL 49 2.888 0.642 -2.078 354 HG11 VAL 49 1HG1 VAL 49 5.065 0.678 -1.074 355 HG12 VAL 49 2HG1 VAL 49 5.716 1.632 -2.408 356 HG13 VAL 49 3HG1 VAL 49 4.534 2.343 -1.308 357 HG21 VAL 49 3HG2 VAL 49 4.043 2.415 -4.230 358 HG22 VAL 49 1HG2 VAL 49 2.434 1.693 -4.252 359 HG23 VAL 49 2HG2 VAL 49 2.849 2.883 -3.019 360 H ILE 50 H ILE 50 2.944 -1.964 -2.113 361 HA ILE 50 HA ILE 50 5.023 -2.674 -0.329 362 HB ILE 50 HB ILE 50 2.569 -4.310 -0.968 363 HG12 ILE 50 1HG1 ILE 50 2.836 -2.203 1.179 364 HG13 ILE 50 2HG1 ILE 50 2.120 -1.880 -0.395 365 HG21 ILE 50 1HG2 ILE 50 3.024 -4.643 1.664 366 HG22 ILE 50 2HG2 ILE 50 3.678 -5.703 0.416 367 HG23 ILE 50 3HG2 ILE 50 4.676 -4.414 1.090 368 HD11 ILE 50 3HD1 ILE 50 0.422 -2.307 1.287 369 HD12 ILE 50 1HD1 ILE 50 0.404 -3.550 0.037 370 HD13 ILE 50 2HD1 ILE 50 1.127 -3.891 1.609 371 H LYS 51 H LYS 51 3.880 -4.033 -3.360 372 HA LYS 51 HA LYS 51 4.983 -6.523 -3.407 373 HB2 LYS 51 1HB LYS 51 3.730 -5.193 -5.254 374 HB3 LYS 51 2HB LYS 51 5.339 -4.707 -5.772 375 HG2 LYS 51 1HG LYS 51 5.002 -6.542 -7.088 376 HG3 LYS 51 2HG LYS 51 5.808 -7.282 -5.703 377 HD2 LYS 51 1HD LYS 51 3.662 -7.954 -4.784 378 HD3 LYS 51 2HD LYS 51 2.820 -7.148 -6.109 379 HE2 LYS 51 1HE LYS 51 3.776 -8.677 -7.707 380 HE3 LYS 51 2HE LYS 51 4.776 -9.417 -6.457 381 HZ1 LYS 51 3HZ LYS 51 1.871 -9.394 -6.078 382 HZ2 LYS 51 1HZ LYS 51 3.015 -10.535 -5.578 383 HZ3 LYS 51 2HZ LYS 51 2.520 -10.487 -7.194 384 H PHE 52 H PHE 52 6.681 -3.514 -4.277 385 HA PHE 52 HA PHE 52 9.139 -4.437 -4.960 386 HB2 PHE 52 1HB PHE 52 8.478 -2.039 -4.871 387 HB3 PHE 52 2HB PHE 52 8.668 -2.082 -3.121 388 HD1 PHE 52 2HD PHE 52 10.910 -2.397 -2.131 389 HD2 PHE 52 1HD PHE 52 10.347 -1.859 -6.316 390 HE1 PHE 52 2HE PHE 52 13.295 -1.846 -2.377 391 HE2 PHE 52 1HE PHE 52 12.732 -1.307 -6.569 392 HZ PHE 52 HZ PHE 52 14.209 -1.299 -4.598 393 H TYR 53 H TYR 53 8.062 -3.815 -1.625 394 HA TYR 53 HA TYR 53 10.458 -4.846 -0.461 395 HB2 TYR 53 1HB TYR 53 7.753 -4.168 0.695 396 HB3 TYR 53 2HB TYR 53 9.092 -4.757 1.673 397 HD1 TYR 53 1HD TYR 53 11.294 -3.401 1.561 398 HD2 TYR 53 2HD TYR 53 7.527 -1.887 0.289 399 HE1 TYR 53 1HE TYR 53 12.149 -1.106 1.781 400 HE2 TYR 53 2HE TYR 53 8.372 0.413 0.504 401 HH TYR 53 HH TYR 53 10.062 1.668 1.496 402 H PHE 54 H PHE 54 7.100 -6.056 -0.453 403 HA PHE 54 HA PHE 54 8.176 -8.791 -0.419 404 HB2 PHE 54 1HB PHE 54 5.764 -7.956 1.191 405 HB3 PHE 54 2HB PHE 54 6.618 -9.494 1.248 406 HD1 PHE 54 1HD PHE 54 9.108 -9.383 1.984 407 HD2 PHE 54 2HD PHE 54 6.246 -6.327 2.749 408 HE1 PHE 54 1HE PHE 54 10.506 -8.540 3.826 409 HE2 PHE 54 2HE PHE 54 7.639 -5.478 4.590 410 HZ PHE 54 HZ PHE 54 9.772 -6.584 5.130 411 HA PRO 55 HA PRO 55 5.408 -9.027 -3.902 412 HB2 PRO 55 1HB PRO 55 5.943 -11.621 -4.501 413 HB3 PRO 55 2HB PRO 55 7.037 -10.294 -4.912 414 HG2 PRO 55 1HG PRO 55 7.159 -12.207 -2.613 415 HG3 PRO 55 2HG PRO 55 8.470 -11.628 -3.657 416 HD2 PRO 55 1HD PRO 55 8.026 -10.623 -1.182 417 HD3 PRO 55 2HD PRO 55 8.673 -9.639 -2.510 418 H LYS 56 H LYS 56 5.553 -11.665 -1.509 419 HA LYS 56 HA LYS 56 3.038 -12.768 -2.048 420 HB2 LYS 56 1HB LYS 56 4.617 -12.718 0.530 421 HB3 LYS 56 2HB LYS 56 3.203 -13.727 0.250 422 HG2 LYS 56 1HG LYS 56 4.349 -14.920 -1.505 423 HG3 LYS 56 2HG LYS 56 5.746 -13.851 -1.358 424 HD2 LYS 56 1HD LYS 56 6.467 -15.610 -0.087 425 HD3 LYS 56 2HD LYS 56 5.654 -14.657 1.157 426 HE2 LYS 56 1HE LYS 56 3.795 -16.066 1.187 427 HE3 LYS 56 2HE LYS 56 4.180 -16.762 -0.386 428 HZ1 LYS 56 3HZ LYS 56 6.320 -17.509 0.948 429 HZ2 LYS 56 1HZ LYS 56 4.902 -18.433 0.934 430 HZ3 LYS 56 2HZ LYS 56 5.242 -17.424 2.249 431 H MET 57 H MET 57 3.981 -10.435 0.477 432 HA MET 57 HA MET 57 1.688 -9.996 1.805 433 HB2 MET 57 1HB MET 57 3.658 -7.965 0.771 434 HB3 MET 57 2HB MET 57 2.336 -7.526 1.843 435 HG2 MET 57 1HG MET 57 4.258 -9.697 2.577 436 HG3 MET 57 2HG MET 57 4.647 -8.000 2.852 437 HE1 MET 57 3HE MET 57 3.211 -6.696 5.447 438 HE2 MET 57 1HE MET 57 3.011 -6.438 3.714 439 HE3 MET 57 2HE MET 57 1.607 -6.795 4.719 440 H VAL 58 H VAL 58 2.330 -9.052 -1.506 441 HA VAL 58 HA VAL 58 -0.161 -7.579 -1.729 442 HB VAL 58 HB VAL 58 1.969 -8.247 -3.760 443 HG11 VAL 58 1HG1 VAL 58 0.312 -7.995 -5.259 444 HG12 VAL 58 2HG1 VAL 58 -0.759 -7.208 -4.098 445 HG13 VAL 58 3HG1 VAL 58 0.502 -6.277 -4.907 446 HG21 VAL 58 3HG2 VAL 58 2.302 -6.506 -1.867 447 HG22 VAL 58 1HG2 VAL 58 2.724 -6.069 -3.522 448 HG23 VAL 58 2HG2 VAL 58 1.206 -5.509 -2.822 449 H GLU 59 H GLU 59 -2.035 -8.371 -2.453 450 HA GLU 59 HA GLU 59 -2.023 -10.968 -3.837 451 HB2 GLU 59 1HB GLU 59 -3.977 -10.114 -1.694 452 HB3 GLU 59 2HB GLU 59 -4.040 -11.618 -2.602 453 HG2 GLU 59 1HG GLU 59 -1.704 -12.065 -1.657 454 HG3 GLU 59 2HG GLU 59 -2.066 -10.769 -0.518 455 H MET 60 H MET 60 -2.107 -9.390 -5.674 456 HA MET 60 HA MET 60 -4.382 -7.773 -6.112 457 HB2 MET 60 1HB MET 60 -2.291 -8.930 -7.941 458 HB3 MET 60 2HB MET 60 -3.628 -7.971 -8.563 459 HG2 MET 60 1HG MET 60 -1.886 -6.916 -6.376 460 HG3 MET 60 2HG MET 60 -1.378 -6.825 -8.061 461 HE1 MET 60 3HE MET 60 -4.435 -5.453 -5.568 462 HE2 MET 60 1HE MET 60 -2.705 -5.235 -5.302 463 HE3 MET 60 2HE MET 60 -3.691 -3.877 -5.844 464 H HIS 61 H HIS 61 -3.610 -11.109 -6.968 465 HA HIS 61 HA HIS 61 -5.491 -11.833 -8.747 466 HB2 HIS 61 1HB HIS 61 -3.877 -13.368 -7.591 467 HB3 HIS 61 2HB HIS 61 -4.983 -13.416 -6.221 468 HD1 HIS 61 1HD HIS 61 -6.442 -15.399 -6.246 469 HD2 HIS 61 2HD HIS 61 -5.401 -14.215 -10.090 470 HE1 HIS 61 1HE HIS 61 -7.524 -17.071 -7.781 471 HE2 HIS 61 2HE HIS 61 -6.810 -16.384 -10.097 472 H ASN 62 H ASN 62 -6.077 -11.042 -5.376 473 HA ASN 62 HA ASN 62 -8.902 -11.703 -5.607 474 HB2 ASN 62 1HB ASN 62 -7.195 -10.723 -3.318 475 HB3 ASN 62 2HB ASN 62 -8.944 -10.891 -3.195 476 HD21 ASN 62 1HD2 ASN 62 -6.060 -12.388 -2.663 477 HD22 ASN 62 2HD2 ASN 62 -6.599 -14.028 -2.594 478 H TYR 63 H TYR 63 -6.936 -8.838 -4.815 479 HA TYR 63 HA TYR 63 -9.087 -7.015 -4.817 480 HB2 TYR 63 1HB TYR 63 -6.187 -6.407 -5.416 481 HB3 TYR 63 2HB TYR 63 -7.405 -5.278 -4.832 482 HD1 TYR 63 2HD TYR 63 -8.598 -6.150 -2.566 483 HD2 TYR 63 1HD TYR 63 -4.678 -7.180 -3.862 484 HE1 TYR 63 2HE TYR 63 -7.974 -6.672 -0.245 485 HE2 TYR 63 1HE TYR 63 -4.044 -7.706 -1.544 486 HH TYR 63 HH TYR 63 -4.670 -7.652 0.594 487 H VAL 64 H VAL 64 -10.153 -6.036 -6.413 488 HA VAL 64 HA VAL 64 -9.040 -6.200 -9.139 489 HB VAL 64 HB VAL 64 -11.938 -6.440 -8.319 490 HG11 VAL 64 1HG1 VAL 64 -11.032 -5.283 -10.611 491 HG12 VAL 64 2HG1 VAL 64 -11.201 -6.968 -11.106 492 HG13 VAL 64 3HG1 VAL 64 -12.585 -6.100 -10.441 493 HG21 VAL 64 3HG2 VAL 64 -9.893 -8.394 -9.312 494 HG22 VAL 64 1HG2 VAL 64 -10.985 -8.528 -7.933 495 HG23 VAL 64 2HG2 VAL 64 -11.615 -8.672 -9.573 496 HA PRO 65 HA PRO 65 -9.380 -1.788 -9.065 497 HB2 PRO 65 1HB PRO 65 -8.943 -1.369 -11.711 498 HB3 PRO 65 2HB PRO 65 -7.653 -1.793 -10.580 499 HG2 PRO 65 1HG PRO 65 -9.155 -3.547 -12.485 500 HG3 PRO 65 2HG PRO 65 -7.418 -3.514 -12.126 501 HD2 PRO 65 1HD PRO 65 -9.092 -5.357 -11.059 502 HD3 PRO 65 2HD PRO 65 -7.666 -4.747 -10.194 503 H ALA 66 H ALA 66 -11.325 -0.882 -8.811 504 HA ALA 66 HA ALA 66 -13.347 -1.281 -10.918 505 HB1 ALA 66 3HB ALA 66 -14.948 -1.541 -9.369 506 HB2 ALA 66 1HB ALA 66 -13.607 -1.888 -8.277 507 HB3 ALA 66 2HB ALA 66 -14.297 -0.266 -8.339 508 H ASN 67 H ASN 67 -14.938 0.585 -11.054 509 HA ASN 67 HA ASN 67 -13.395 3.058 -11.238 510 HB2 ASN 67 1HB ASN 67 -16.007 2.155 -12.443 511 HB3 ASN 67 2HB ASN 67 -15.471 3.830 -12.527 512 HD21 ASN 67 1HD2 ASN 67 -14.413 0.532 -13.237 513 HD22 ASN 67 2HD2 ASN 67 -13.499 0.942 -14.645 514 H SER 68 H SER 68 -16.791 2.334 -10.418 515 HA SER 68 HA SER 68 -17.358 4.650 -9.047 516 HB2 SER 68 1HB SER 68 -19.008 2.874 -9.670 517 HB3 SER 68 2HB SER 68 -18.416 1.910 -8.317 518 HG SER 68 HG SER 68 -20.297 3.192 -7.831 519 H LEU 69 H LEU 69 -17.853 4.774 -6.628 520 HA LEU 69 HA LEU 69 -15.391 4.152 -5.212 521 HB2 LEU 69 1HB LEU 69 -15.922 5.833 -3.759 522 HB3 LEU 69 2HB LEU 69 -16.742 6.390 -5.217 523 HG LEU 69 HG LEU 69 -18.781 5.099 -4.122 524 HD11 LEU 69 1HD1 LEU 69 -18.677 4.657 -1.934 525 HD12 LEU 69 2HD1 LEU 69 -17.799 6.144 -1.577 526 HD13 LEU 69 3HD1 LEU 69 -16.928 4.721 -2.151 527 HD21 LEU 69 3HD2 LEU 69 -19.377 7.235 -4.416 528 HD22 LEU 69 1HD2 LEU 69 -17.775 7.838 -3.995 529 HD23 LEU 69 2HD2 LEU 69 -18.931 7.446 -2.722 530 H GLN 70 H GLN 70 -18.826 3.388 -5.073 531 HA GLN 70 HA GLN 70 -19.137 2.183 -2.666 532 HB2 GLN 70 1HB GLN 70 -20.862 0.840 -3.616 533 HB3 GLN 70 2HB GLN 70 -20.850 2.360 -4.500 534 HG2 GLN 70 1HG GLN 70 -21.073 0.810 -6.184 535 HG3 GLN 70 2HG GLN 70 -19.335 1.105 -6.171 536 HE21 GLN 70 1HE2 GLN 70 -19.856 -1.084 -7.371 537 HE22 GLN 70 2HE2 GLN 70 -19.623 -2.490 -6.395 538 H GLN 71 H GLN 71 -17.564 0.771 -5.503 539 HA GLN 71 HA GLN 71 -17.085 -1.762 -4.296 540 HB2 GLN 71 1HB GLN 71 -17.148 -1.336 -6.763 541 HB3 GLN 71 2HB GLN 71 -15.605 -0.505 -6.611 542 HG2 GLN 71 1HG GLN 71 -15.459 -2.864 -7.400 543 HG3 GLN 71 2HG GLN 71 -14.496 -2.499 -5.969 544 HE21 GLN 71 1HE2 GLN 71 -14.423 -4.600 -5.255 545 HE22 GLN 71 2HE2 GLN 71 -15.803 -5.427 -4.626 546 H LYS 72 H LYS 72 -15.163 1.178 -4.695 547 HA LYS 72 HA LYS 72 -12.671 0.470 -3.964 548 HB2 LYS 72 1HB LYS 72 -14.193 2.834 -2.851 549 HB3 LYS 72 2HB LYS 72 -12.442 2.661 -2.846 550 HG2 LYS 72 1HG LYS 72 -14.077 2.652 -5.368 551 HG3 LYS 72 2HG LYS 72 -13.409 4.121 -4.653 552 HD2 LYS 72 1HD LYS 72 -11.160 3.223 -4.851 553 HD3 LYS 72 2HD LYS 72 -11.801 1.708 -5.491 554 HE2 LYS 72 1HE LYS 72 -12.331 2.635 -7.525 555 HE3 LYS 72 2HE LYS 72 -12.505 4.258 -6.860 556 HZ1 LYS 72 3HZ LYS 72 -10.500 3.878 -8.288 557 HZ2 LYS 72 1HZ LYS 72 -9.892 2.878 -7.067 558 HZ3 LYS 72 2HZ LYS 72 -10.177 4.515 -6.755 559 H LEU 73 H LEU 73 -15.001 1.532 -1.478 560 HA LEU 73 HA LEU 73 -13.659 0.834 0.773 561 HB2 LEU 73 1HB LEU 73 -16.559 0.793 0.081 562 HB3 LEU 73 2HB LEU 73 -16.043 0.169 1.646 563 HG LEU 73 HG LEU 73 -15.426 2.953 0.672 564 HD11 LEU 73 1HD1 LEU 73 -17.260 3.142 2.727 565 HD12 LEU 73 2HD1 LEU 73 -17.885 1.833 1.724 566 HD13 LEU 73 3HD1 LEU 73 -17.575 3.417 1.013 567 HD21 LEU 73 3HD2 LEU 73 -15.348 1.751 3.436 568 HD22 LEU 73 1HD2 LEU 73 -14.874 3.387 2.977 569 HD23 LEU 73 2HD2 LEU 73 -13.938 2.005 2.407 570 H SER 74 H SER 74 -15.629 -1.342 -1.218 571 HA SER 74 HA SER 74 -15.565 -3.631 0.297 572 HB2 SER 74 1HB SER 74 -16.594 -3.135 -2.073 573 HB3 SER 74 2HB SER 74 -15.093 -3.856 -2.653 574 HG SER 74 HG SER 74 -15.600 -5.713 -1.425 575 H ASN 75 H ASN 75 -13.158 -2.674 -2.152 576 HA ASN 75 HA ASN 75 -11.402 -4.813 -1.746 577 HB2 ASN 75 1HB ASN 75 -10.999 -2.020 -2.802 578 HB3 ASN 75 2HB ASN 75 -9.668 -3.168 -2.695 579 HD21 ASN 75 1HD2 ASN 75 -9.844 -2.539 -5.084 580 HD22 ASN 75 2HD2 ASN 75 -10.784 -3.603 -6.069 581 H TRP 76 H TRP 76 -11.054 -1.466 -0.554 582 HA TRP 76 HA TRP 76 -8.864 -1.692 1.022 583 HB2 TRP 76 1HB TRP 76 -11.366 -0.093 1.257 584 HB3 TRP 76 2HB TRP 76 -10.281 -0.116 2.644 585 HD1 TRP 76 HD TRP 76 -10.585 1.231 -0.895 586 HE1 TRP 76 1HE TRP 76 -8.668 2.893 -1.327 587 HE3 TRP 76 3HE TRP 76 -7.817 0.391 3.320 588 HZ2 TRP 76 2HZ TRP 76 -6.295 3.736 -0.051 589 HZ3 TRP 76 3HZ TRP 76 -5.737 1.666 3.638 590 HH2 TRP 76 HH TRP 76 -4.993 3.303 1.986 591 H GLY 77 H GLY 77 -12.183 -2.486 2.053 592 HA2 GLY 77 1HA GLY 77 -11.799 -3.212 4.649 593 HA3 GLY 77 2HA GLY 77 -12.910 -4.056 3.579 594 H HIS 78 H HIS 78 -11.160 -5.271 1.825 595 HA HIS 78 HA HIS 78 -10.333 -7.520 3.347 596 HB2 HIS 78 1HB HIS 78 -9.888 -6.750 0.461 597 HB3 HIS 78 2HB HIS 78 -9.340 -8.278 1.144 598 HD1 HIS 78 1HD HIS 78 -11.490 -8.000 -1.148 599 HD2 HIS 78 2HD HIS 78 -12.296 -8.606 2.883 600 HE1 HIS 78 1HE HIS 78 -13.773 -9.050 -1.070 601 HE2 HIS 78 2HE HIS 78 -14.275 -9.330 1.383 602 H LEU 79 H LEU 79 -8.534 -4.985 1.623 603 HA LEU 79 HA LEU 79 -5.958 -5.906 2.171 604 HB2 LEU 79 1HB LEU 79 -6.798 -3.983 0.647 605 HB3 LEU 79 2HB LEU 79 -6.606 -2.986 2.087 606 HG LEU 79 HG LEU 79 -4.179 -4.070 2.045 607 HD11 LEU 79 1HD1 LEU 79 -3.440 -4.110 -0.368 608 HD12 LEU 79 2HD1 LEU 79 -5.147 -4.208 -0.799 609 HD13 LEU 79 3HD1 LEU 79 -4.408 -5.485 0.167 610 HD21 LEU 79 3HD2 LEU 79 -4.394 -1.937 0.050 611 HD22 LEU 79 1HD2 LEU 79 -3.521 -1.978 1.582 612 HD23 LEU 79 2HD2 LEU 79 -5.246 -1.609 1.559 613 H ASN 80 H ASN 80 -8.294 -4.705 4.294 614 HA ASN 80 HA ASN 80 -6.419 -3.651 6.237 615 HB2 ASN 80 1HB ASN 80 -8.721 -2.693 5.890 616 HB3 ASN 80 2HB ASN 80 -9.376 -4.170 6.590 617 HD21 ASN 80 1HD2 ASN 80 -9.139 -1.196 7.369 618 HD22 ASN 80 2HD2 ASN 80 -8.654 -1.267 9.026 619 H ARG 81 H ARG 81 -8.181 -6.593 5.611 620 HA ARG 81 HA ARG 81 -7.176 -7.731 8.133 621 HB2 ARG 81 1HB ARG 81 -9.529 -8.438 6.395 622 HB3 ARG 81 2HB ARG 81 -8.886 -9.572 7.574 623 HG2 ARG 81 1HG ARG 81 -9.227 -7.800 9.318 624 HG3 ARG 81 2HG ARG 81 -10.092 -6.870 8.093 625 HD2 ARG 81 1HD ARG 81 -11.728 -8.052 9.341 626 HD3 ARG 81 2HD ARG 81 -11.587 -8.866 7.783 627 HE ARG 81 HE ARG 81 -9.856 -10.142 9.546 628 HH11 ARG 81 1HH1 ARG 81 -13.277 -9.613 9.176 629 HH12 ARG 81 2HH1 ARG 81 -13.723 -11.092 9.960 630 HH21 ARG 81 1HH2 ARG 81 -10.430 -12.092 10.580 631 HH22 ARG 81 2HH2 ARG 81 -12.103 -12.501 10.759 632 H LYS 82 H LYS 82 -6.340 -7.512 4.998 633 HA LYS 82 HA LYS 82 -5.250 -10.248 4.898 634 HB2 LYS 82 1HB LYS 82 -6.068 -8.346 2.712 635 HB3 LYS 82 2HB LYS 82 -4.991 -9.701 2.398 636 HG2 LYS 82 1HG LYS 82 -7.563 -10.236 3.785 637 HG3 LYS 82 2HG LYS 82 -7.589 -9.899 2.053 638 HD2 LYS 82 1HD LYS 82 -7.410 -12.241 2.231 639 HD3 LYS 82 2HD LYS 82 -5.784 -11.678 1.836 640 HE2 LYS 82 1HE LYS 82 -4.967 -12.150 3.928 641 HE3 LYS 82 2HE LYS 82 -6.541 -11.969 4.701 642 HZ1 LYS 82 3HZ LYS 82 -6.537 -14.130 2.851 643 HZ2 LYS 82 1HZ LYS 82 -6.923 -14.131 4.498 644 HZ3 LYS 82 2HZ LYS 82 -5.316 -14.324 4.006 645 H VAL 83 H VAL 83 -4.539 -6.828 4.466 646 HA VAL 83 HA VAL 83 -1.673 -7.471 4.282 647 HB VAL 83 HB VAL 83 -3.127 -4.926 3.548 648 HG11 VAL 83 1HG1 VAL 83 -0.891 -4.271 2.605 649 HG12 VAL 83 2HG1 VAL 83 -0.983 -4.304 4.367 650 HG13 VAL 83 3HG1 VAL 83 -0.199 -5.624 3.499 651 HG21 VAL 83 3HG2 VAL 83 -2.602 -5.479 1.270 652 HG22 VAL 83 1HG2 VAL 83 -1.678 -6.892 1.781 653 HG23 VAL 83 2HG2 VAL 83 -3.427 -6.855 2.004 654 H LEU 84 H LEU 84 -3.539 -4.692 5.508 655 HA LEU 84 HA LEU 84 -1.817 -3.686 7.324 656 HB2 LEU 84 1HB LEU 84 -4.787 -4.055 7.677 657 HB3 LEU 84 2HB LEU 84 -3.789 -3.010 8.686 658 HG LEU 84 HG LEU 84 -4.351 -2.669 5.741 659 HD11 LEU 84 1HD1 LEU 84 -5.094 -0.391 7.092 660 HD12 LEU 84 2HD1 LEU 84 -5.598 -1.686 8.177 661 HD13 LEU 84 3HD1 LEU 84 -6.179 -1.655 6.513 662 HD21 LEU 84 3HD2 LEU 84 -2.165 -1.888 5.998 663 HD22 LEU 84 1HD2 LEU 84 -2.483 -1.249 7.611 664 HD23 LEU 84 2HD2 LEU 84 -3.159 -0.443 6.195 665 H LYS 85 H LYS 85 -4.293 -6.090 8.241 666 HA LYS 85 HA LYS 85 -3.673 -6.642 10.788 667 HB2 LYS 85 1HB LYS 85 -5.400 -7.849 9.535 668 HB3 LYS 85 2HB LYS 85 -4.158 -8.731 8.655 669 HG2 LYS 85 1HG LYS 85 -3.456 -9.856 10.651 670 HG3 LYS 85 2HG LYS 85 -4.533 -8.865 11.638 671 HD2 LYS 85 1HD LYS 85 -5.761 -10.807 11.406 672 HD3 LYS 85 2HD LYS 85 -6.391 -9.825 10.081 673 HE2 LYS 85 1HE LYS 85 -6.009 -11.894 9.087 674 HE3 LYS 85 2HE LYS 85 -4.574 -10.964 8.659 675 HZ1 LYS 85 3HZ LYS 85 -4.144 -13.273 9.463 676 HZ2 LYS 85 1HZ LYS 85 -4.689 -12.791 10.991 677 HZ3 LYS 85 2HZ LYS 85 -3.318 -12.067 10.315 678 H ARG 86 H ARG 86 -1.962 -8.105 8.026 679 HA ARG 86 HA ARG 86 -0.119 -9.620 9.427 680 HB2 ARG 86 1HB ARG 86 0.203 -8.165 6.798 681 HB3 ARG 86 2HB ARG 86 1.344 -9.355 7.410 682 HG2 ARG 86 1HG ARG 86 -1.536 -10.078 7.125 683 HG3 ARG 86 2HG ARG 86 -0.484 -10.058 5.708 684 HD2 ARG 86 1HD ARG 86 -0.238 -12.235 6.383 685 HD3 ARG 86 2HD ARG 86 1.094 -11.474 7.252 686 HE ARG 86 HE ARG 86 -1.131 -11.400 8.917 687 HH11 ARG 86 1HH1 ARG 86 0.932 -13.778 7.431 688 HH12 ARG 86 2HH1 ARG 86 0.713 -14.947 8.692 689 HH21 ARG 86 1HH2 ARG 86 -1.428 -12.930 10.583 690 HH22 ARG 86 2HH2 ARG 86 -0.631 -14.463 10.483 691 H LEU 87 H LEU 87 0.096 -6.218 8.446 692 HA LEU 87 HA LEU 87 2.651 -5.909 9.787 693 HB2 LEU 87 1HB LEU 87 0.891 -3.948 8.326 694 HB3 LEU 87 2HB LEU 87 2.457 -3.548 9.029 695 HG LEU 87 HG LEU 87 2.315 -5.756 7.034 696 HD11 LEU 87 1HD1 LEU 87 2.356 -2.839 6.278 697 HD12 LEU 87 2HD1 LEU 87 0.980 -3.920 6.063 698 HD13 LEU 87 3HD1 LEU 87 2.480 -4.219 5.186 699 HD21 LEU 87 3HD2 LEU 87 4.334 -4.581 8.444 700 HD22 LEU 87 1HD2 LEU 87 4.407 -3.713 6.910 701 HD23 LEU 87 2HD2 LEU 87 4.535 -5.472 6.935 702 H ASN 88 H ASN 88 0.337 -6.624 11.388 703 HA ASN 88 HA ASN 88 -0.877 -5.953 13.221 704 HB2 ASN 88 1HB ASN 88 1.675 -6.124 13.839 705 HB3 ASN 88 2HB ASN 88 1.532 -4.382 14.053 706 HD21 ASN 88 1HD2 ASN 88 2.103 -6.359 16.050 707 HD22 ASN 88 2HD2 ASN 88 0.841 -6.265 17.227 708 H PHE 89 H PHE 89 -1.311 -4.233 11.003 709 HA PHE 89 HA PHE 89 -1.557 -1.603 12.299 710 HB2 PHE 89 1HB PHE 89 -0.306 -1.918 10.043 711 HB3 PHE 89 2HB PHE 89 -1.919 -2.059 9.353 712 HD1 PHE 89 1HD PHE 89 0.494 0.178 10.935 713 HD2 PHE 89 2HD PHE 89 -3.408 -0.156 9.268 714 HE1 PHE 89 1HE PHE 89 0.330 2.631 10.836 715 HE2 PHE 89 2HE PHE 89 -3.578 2.296 9.165 716 HZ PHE 89 HZ PHE 89 -1.707 3.693 9.949 717 H SER 90 H SER 90 -3.524 -0.563 12.379 718 HA SER 90 HA SER 90 -5.861 -2.030 11.368 719 HB2 SER 90 1HB SER 90 -5.480 -0.930 14.158 720 HB3 SER 90 2HB SER 90 -7.052 -1.392 13.506 721 HG SER 90 HG SER 90 -4.884 -3.191 13.458 722 H VAL 91 H VAL 91 -7.844 -0.670 11.329 723 HA VAL 91 HA VAL 91 -7.530 2.190 11.411 724 HB VAL 91 HB VAL 91 -7.671 0.744 8.784 725 HG11 VAL 91 1HG1 VAL 91 -8.140 3.191 7.933 726 HG12 VAL 91 2HG1 VAL 91 -9.463 2.115 8.386 727 HG13 VAL 91 3HG1 VAL 91 -8.906 3.352 9.513 728 HG21 VAL 91 3HG2 VAL 91 -5.485 1.368 9.182 729 HG22 VAL 91 1HG2 VAL 91 -6.090 2.756 8.277 730 HG23 VAL 91 2HG2 VAL 91 -5.949 2.842 10.033 731 HA PRO 92 HA PRO 92 -11.817 1.591 12.364 732 HB2 PRO 92 1HB PRO 92 -12.474 4.218 12.564 733 HB3 PRO 92 2HB PRO 92 -11.572 3.355 13.815 734 HG2 PRO 92 1HG PRO 92 -10.558 5.162 11.655 735 HG3 PRO 92 2HG PRO 92 -10.084 5.084 13.362 736 HD2 PRO 92 1HD PRO 92 -8.614 3.955 11.388 737 HD3 PRO 92 2HD PRO 92 -8.701 3.271 13.025 738 H ASP 93 H ASP 93 -13.863 1.893 11.403 739 HA ASP 93 HA ASP 93 -13.901 1.952 8.597 740 HB2 ASP 93 1HB ASP 93 -16.254 1.718 8.755 741 HB3 ASP 93 2HB ASP 93 -15.603 0.884 10.164 742 H ASP 94 H ASP 94 -14.456 4.449 10.999 743 HA ASP 94 HA ASP 94 -15.641 6.405 9.416 744 HB2 ASP 94 1HB ASP 94 -15.557 6.816 11.740 745 HB3 ASP 94 2HB ASP 94 -13.813 6.573 11.804 746 H VAL 95 H VAL 95 -12.199 5.722 9.945 747 HA VAL 95 HA VAL 95 -11.274 7.835 8.275 748 HB VAL 95 HB VAL 95 -9.845 5.336 9.194 749 HG11 VAL 95 1HG1 VAL 95 -8.036 5.975 8.062 750 HG12 VAL 95 2HG1 VAL 95 -9.086 7.095 7.191 751 HG13 VAL 95 3HG1 VAL 95 -8.195 7.644 8.610 752 HG21 VAL 95 3HG2 VAL 95 -9.063 6.537 11.026 753 HG22 VAL 95 1HG2 VAL 95 -9.453 8.094 10.295 754 HG23 VAL 95 2HG2 VAL 95 -10.744 7.057 10.901 755 H MET 96 H MET 96 -11.978 4.422 7.773 756 HA MET 96 HA MET 96 -10.813 4.086 5.260 757 HB2 MET 96 1HB MET 96 -13.158 2.779 6.613 758 HB3 MET 96 2HB MET 96 -12.685 2.329 4.980 759 HG2 MET 96 1HG MET 96 -10.315 2.085 6.130 760 HG3 MET 96 2HG MET 96 -11.314 1.840 7.560 761 HE1 MET 96 3HE MET 96 -12.540 -0.956 7.907 762 HE2 MET 96 1HE MET 96 -10.986 -1.681 7.493 763 HE3 MET 96 2HE MET 96 -11.040 -0.115 8.302 764 H ARG 97 H ARG 97 -14.142 5.037 6.090 765 HA ARG 97 HA ARG 97 -15.242 5.261 3.594 766 HB2 ARG 97 1HB ARG 97 -15.631 7.002 6.027 767 HB3 ARG 97 2HB ARG 97 -16.615 7.156 4.578 768 HG2 ARG 97 1HG ARG 97 -17.650 5.117 4.902 769 HG3 ARG 97 2HG ARG 97 -16.351 4.507 5.929 770 HD2 ARG 97 1HD ARG 97 -17.912 4.949 7.530 771 HD3 ARG 97 2HD ARG 97 -17.113 6.520 7.466 772 HE ARG 97 HE ARG 97 -19.054 7.418 6.672 773 HH11 ARG 97 1HH1 ARG 97 -19.141 3.970 6.196 774 HH12 ARG 97 2HH1 ARG 97 -20.782 3.957 5.642 775 HH21 ARG 97 1HH2 ARG 97 -21.216 7.413 5.945 776 HH22 ARG 97 2HH2 ARG 97 -21.962 5.916 5.499 777 H LYS 98 H LYS 98 -13.523 7.857 5.331 778 HA LYS 98 HA LYS 98 -13.612 9.794 3.353 779 HB2 LYS 98 1HB LYS 98 -11.501 9.230 5.436 780 HB3 LYS 98 2HB LYS 98 -11.490 10.664 4.418 781 HG2 LYS 98 1HG LYS 98 -13.280 11.606 5.481 782 HG3 LYS 98 2HG LYS 98 -13.950 10.048 5.970 783 HD2 LYS 98 1HD LYS 98 -12.593 9.891 7.815 784 HD3 LYS 98 2HD LYS 98 -11.325 10.890 7.101 785 HE2 LYS 98 1HE LYS 98 -13.978 12.104 7.736 786 HE3 LYS 98 2HE LYS 98 -12.820 11.823 9.035 787 HZ1 LYS 98 3HZ LYS 98 -12.155 13.877 8.415 788 HZ2 LYS 98 1HZ LYS 98 -12.709 13.718 6.824 789 HZ3 LYS 98 2HZ LYS 98 -11.244 13.009 7.285 790 H ILE 99 H ILE 99 -10.869 7.605 4.009 791 HA ILE 99 HA ILE 99 -9.237 8.223 1.918 792 HB ILE 99 HB ILE 99 -9.795 5.441 2.954 793 HG12 ILE 99 1HG1 ILE 99 -7.545 7.297 3.725 794 HG13 ILE 99 2HG1 ILE 99 -9.069 7.247 4.604 795 HG21 ILE 99 1HG2 ILE 99 -8.085 4.638 1.732 796 HG22 ILE 99 2HG2 ILE 99 -8.420 6.028 0.701 797 HG23 ILE 99 3HG2 ILE 99 -7.133 6.113 1.904 798 HD11 ILE 99 3HD1 ILE 99 -8.621 4.747 4.863 799 HD12 ILE 99 1HD1 ILE 99 -6.973 5.126 4.365 800 HD13 ILE 99 2HD1 ILE 99 -7.647 5.865 5.817 801 H ALA 100 H ALA 100 -11.899 5.862 1.834 802 HA ALA 100 HA ALA 100 -11.614 5.106 -0.847 803 HB1 ALA 100 3HB ALA 100 -13.447 3.844 -0.502 804 HB2 ALA 100 1HB ALA 100 -13.194 4.294 1.185 805 HB3 ALA 100 2HB ALA 100 -14.363 5.176 0.202 806 H GLN 101 H GLN 101 -13.025 7.929 0.600 807 HA GLN 101 HA GLN 101 -14.436 8.712 -1.802 808 HB2 GLN 101 1HB GLN 101 -14.144 9.791 0.956 809 HB3 GLN 101 2HB GLN 101 -14.563 10.925 -0.322 810 HG2 GLN 101 1HG GLN 101 -16.105 8.390 -0.036 811 HG3 GLN 101 2HG GLN 101 -16.427 9.742 1.049 812 HE21 GLN 101 1HE2 GLN 101 -17.732 8.346 -1.422 813 HE22 GLN 101 2HE2 GLN 101 -18.308 9.689 -2.343 814 H CYS 102 H CYS 102 -11.347 8.468 -1.400 815 HA CYS 102 HA CYS 102 -9.475 9.487 -2.194 816 HB2 CYS 102 1HB CYS 102 -11.537 10.869 -3.920 817 HB3 CYS 102 2HB CYS 102 -9.800 10.985 -4.178 818 HG CYS 102 HG CYS 102 -10.765 7.822 -3.989 819 H ALA 103 H ALA 103 -10.284 10.513 0.190 820 HA ALA 103 HA ALA 103 -10.437 13.390 0.073 821 HB1 ALA 103 3HB ALA 103 -10.241 11.427 2.341 822 HB2 ALA 103 1HB ALA 103 -10.214 13.173 2.589 823 HB3 ALA 103 2HB ALA 103 -11.624 12.407 1.856 824 HA PRO 104 HA PRO 104 -6.085 14.134 -0.040 825 HB2 PRO 104 1HB PRO 104 -6.128 16.728 0.760 826 HB3 PRO 104 2HB PRO 104 -6.625 16.213 -0.856 827 HG2 PRO 104 1HG PRO 104 -8.315 16.856 1.530 828 HG3 PRO 104 2HG PRO 104 -8.558 17.307 -0.167 829 HD2 PRO 104 1HD PRO 104 -9.888 15.258 1.000 830 HD3 PRO 104 2HD PRO 104 -9.441 15.251 -0.719 831 H GLY 105 H GLY 105 -4.518 13.687 1.380 832 HA2 GLY 105 1HA GLY 105 -3.292 13.824 3.359 833 HA3 GLY 105 2HA GLY 105 -4.610 14.734 4.083 834 H VAL 106 H VAL 106 -6.727 13.234 4.130 835 HA VAL 106 HA VAL 106 -6.643 11.558 6.193 836 HB VAL 106 HB VAL 106 -8.229 10.881 3.713 837 HG11 VAL 106 1HG1 VAL 106 -8.065 9.694 6.305 838 HG12 VAL 106 2HG1 VAL 106 -9.666 10.405 6.093 839 HG13 VAL 106 3HG1 VAL 106 -9.064 9.224 4.930 840 HG21 VAL 106 3HG2 VAL 106 -8.752 13.122 4.115 841 HG22 VAL 106 1HG2 VAL 106 -10.017 12.235 4.964 842 HG23 VAL 106 2HG2 VAL 106 -8.668 12.925 5.866 843 H VAL 107 H VAL 107 -6.150 10.415 2.851 844 HA VAL 107 HA VAL 107 -5.455 7.772 3.604 845 HB VAL 107 HB VAL 107 -6.262 8.295 1.355 846 HG11 VAL 107 1HG1 VAL 107 -3.596 9.597 0.844 847 HG12 VAL 107 2HG1 VAL 107 -4.982 9.504 -0.245 848 HG13 VAL 107 3HG1 VAL 107 -5.066 10.498 1.210 849 HG21 VAL 107 3HG2 VAL 107 -3.867 7.312 0.305 850 HG22 VAL 107 1HG2 VAL 107 -3.921 6.736 1.971 851 HG23 VAL 107 2HG2 VAL 107 -5.249 6.374 0.869 852 H GLU 108 H GLU 108 -3.506 10.598 2.684 853 HA GLU 108 HA GLU 108 -0.991 9.440 2.743 854 HB2 GLU 108 1HB GLU 108 -1.949 12.223 3.356 855 HB3 GLU 108 2HB GLU 108 -0.246 11.804 3.483 856 HG2 GLU 108 1HG GLU 108 -0.327 12.604 1.350 857 HG3 GLU 108 2HG GLU 108 -0.600 10.887 1.061 858 H LEU 109 H LEU 109 -3.023 10.511 5.389 859 HA LEU 109 HA LEU 109 -1.126 10.519 7.446 860 HB2 LEU 109 1HB LEU 109 -4.085 10.012 7.411 861 HB3 LEU 109 2HB LEU 109 -3.154 9.982 8.907 862 HG LEU 109 HG LEU 109 -3.173 12.381 7.097 863 HD11 LEU 109 1HD1 LEU 109 -5.450 11.396 8.258 864 HD12 LEU 109 2HD1 LEU 109 -5.164 13.081 7.825 865 HD13 LEU 109 3HD1 LEU 109 -4.858 12.530 9.472 866 HD21 LEU 109 3HD2 LEU 109 -1.470 12.692 8.597 867 HD22 LEU 109 1HD2 LEU 109 -2.258 11.743 9.858 868 HD23 LEU 109 2HD2 LEU 109 -2.820 13.377 9.503 869 H VAL 110 H VAL 110 -2.543 7.919 5.709 870 HA VAL 110 HA VAL 110 -1.680 5.969 7.727 871 HB VAL 110 HB VAL 110 -3.161 5.252 5.217 872 HG11 VAL 110 1HG1 VAL 110 -3.266 4.042 7.974 873 HG12 VAL 110 2HG1 VAL 110 -3.886 3.359 6.470 874 HG13 VAL 110 3HG1 VAL 110 -2.147 3.516 6.717 875 HG21 VAL 110 3HG2 VAL 110 -5.162 5.393 7.010 876 HG22 VAL 110 1HG2 VAL 110 -4.175 6.753 7.546 877 HG23 VAL 110 2HG2 VAL 110 -4.769 6.694 5.886 878 H LEU 111 H LEU 111 -0.763 7.346 4.754 879 HA LEU 111 HA LEU 111 0.693 5.119 3.706 880 HB2 LEU 111 1HB LEU 111 0.827 8.066 3.098 881 HB3 LEU 111 2HB LEU 111 1.711 6.829 2.208 882 HG LEU 111 HG LEU 111 -1.285 7.160 2.340 883 HD11 LEU 111 1HD1 LEU 111 -0.384 8.795 0.893 884 HD12 LEU 111 2HD1 LEU 111 -0.955 7.486 -0.141 885 HD13 LEU 111 3HD1 LEU 111 0.767 7.654 0.198 886 HD21 LEU 111 3HD2 LEU 111 -0.885 4.832 2.237 887 HD22 LEU 111 1HD2 LEU 111 0.437 5.035 1.088 888 HD23 LEU 111 2HD2 LEU 111 -1.225 5.344 0.583 889 H ILE 112 H ILE 112 1.548 8.017 5.554 890 HA ILE 112 HA ILE 112 4.300 7.807 5.556 891 HB ILE 112 HB ILE 112 2.318 8.962 7.435 892 HG12 ILE 112 1HG1 ILE 112 4.890 10.132 6.381 893 HG13 ILE 112 2HG1 ILE 112 3.415 10.096 5.421 894 HG21 ILE 112 1HG2 ILE 112 3.687 7.924 9.063 895 HG22 ILE 112 2HG2 ILE 112 5.162 8.355 8.201 896 HG23 ILE 112 3HG2 ILE 112 4.201 9.608 8.985 897 HD11 ILE 112 3HD1 ILE 112 2.346 11.281 7.444 898 HD12 ILE 112 1HD1 ILE 112 4.010 11.637 7.907 899 HD13 ILE 112 2HD1 ILE 112 3.384 12.204 6.358 900 HA PRO 113 HA PRO 113 4.080 4.971 9.464 901 HB2 PRO 113 1HB PRO 113 1.651 3.962 10.134 902 HB3 PRO 113 2HB PRO 113 2.255 5.503 10.754 903 HG2 PRO 113 1HG PRO 113 0.349 4.982 8.505 904 HG3 PRO 113 2HG PRO 113 0.264 6.209 9.782 905 HD2 PRO 113 1HD PRO 113 1.119 6.772 7.276 906 HD3 PRO 113 2HD PRO 113 1.748 7.609 8.710 907 H LEU 114 H LEU 114 2.245 4.395 6.594 908 HA LEU 114 HA LEU 114 2.121 1.563 6.739 909 HB2 LEU 114 1HB LEU 114 0.619 2.670 5.280 910 HB3 LEU 114 2HB LEU 114 1.931 3.513 4.459 911 HG LEU 114 HG LEU 114 2.674 1.152 3.714 912 HD11 LEU 114 1HD1 LEU 114 0.992 0.091 5.315 913 HD12 LEU 114 2HD1 LEU 114 1.078 -0.556 3.678 914 HD13 LEU 114 3HD1 LEU 114 -0.233 0.534 4.126 915 HD21 LEU 114 3HD2 LEU 114 0.413 2.800 2.694 916 HD22 LEU 114 1HD2 LEU 114 0.748 1.248 1.926 917 HD23 LEU 114 2HD2 LEU 114 1.998 2.492 1.984 918 H ARG 115 H ARG 115 4.367 3.814 5.161 919 HA ARG 115 HA ARG 115 6.041 1.685 4.184 920 HB2 ARG 115 1HB ARG 115 5.940 3.665 2.852 921 HB3 ARG 115 2HB ARG 115 6.341 4.685 4.227 922 HG2 ARG 115 1HG ARG 115 8.549 3.307 4.258 923 HG3 ARG 115 2HG ARG 115 8.111 2.934 2.589 924 HD2 ARG 115 1HD ARG 115 7.908 5.377 2.163 925 HD3 ARG 115 2HD ARG 115 8.508 5.668 3.796 926 HE ARG 115 HE ARG 115 10.044 4.854 1.498 927 HH11 ARG 115 1HH1 ARG 115 9.902 4.985 4.974 928 HH12 ARG 115 2HH1 ARG 115 11.620 4.894 5.178 929 HH21 ARG 115 1HH2 ARG 115 12.307 4.734 1.753 930 HH22 ARG 115 2HH2 ARG 115 12.987 4.753 3.345 931 H GLN 116 H GLN 116 6.245 4.131 6.744 932 HA GLN 116 HA GLN 116 8.783 3.742 7.678 933 HB2 GLN 116 1HB GLN 116 8.129 4.823 9.594 934 HB3 GLN 116 2HB GLN 116 6.788 5.242 8.537 935 HG2 GLN 116 1HG GLN 116 5.434 3.487 9.504 936 HG3 GLN 116 2HG GLN 116 6.785 2.972 10.512 937 HE21 GLN 116 1HE2 GLN 116 5.197 3.307 12.233 938 HE22 GLN 116 2HE2 GLN 116 5.022 4.891 12.901 939 H ARG 117 H ARG 117 5.928 1.770 8.373 940 HA ARG 117 HA ARG 117 7.225 0.040 10.213 941 HB2 ARG 117 1HB ARG 117 4.659 -0.051 8.672 942 HB3 ARG 117 2HB ARG 117 5.221 -1.495 9.504 943 HG2 ARG 117 1HG ARG 117 4.901 1.152 10.886 944 HG3 ARG 117 2HG ARG 117 3.598 -0.031 10.762 945 HD2 ARG 117 1HD ARG 117 6.309 -0.614 11.943 946 HD3 ARG 117 2HD ARG 117 4.900 -0.140 12.891 947 HE ARG 117 HE ARG 117 4.203 -2.342 11.313 948 HH11 ARG 117 1HH1 ARG 117 6.269 -1.550 14.001 949 HH12 ARG 117 2HH1 ARG 117 6.198 -3.138 14.692 950 HH21 ARG 117 1HH2 ARG 117 4.101 -4.436 12.212 951 HH22 ARG 117 2HH2 ARG 117 4.965 -4.779 13.673 952 H LEU 118 H LEU 118 6.262 -0.435 6.811 953 HA LEU 118 HA LEU 118 7.176 -2.924 6.299 954 HB2 LEU 118 1HB LEU 118 7.465 -0.462 4.593 955 HB3 LEU 118 2HB LEU 118 7.805 -2.089 4.009 956 HG LEU 118 HG LEU 118 5.119 -1.222 5.066 957 HD11 LEU 118 1HD1 LEU 118 4.427 -0.640 2.969 958 HD12 LEU 118 2HD1 LEU 118 5.642 -1.635 2.168 959 HD13 LEU 118 3HD1 LEU 118 6.104 -0.098 2.899 960 HD21 LEU 118 3HD2 LEU 118 4.314 -3.244 4.052 961 HD22 LEU 118 1HD2 LEU 118 5.660 -3.647 5.118 962 HD23 LEU 118 2HD2 LEU 118 5.905 -3.589 3.372 963 H GLU 119 H GLU 119 9.214 -0.004 6.084 964 HA GLU 119 HA GLU 119 11.619 -1.097 5.427 965 HB2 GLU 119 1HB GLU 119 11.016 1.129 7.371 966 HB3 GLU 119 2HB GLU 119 12.650 0.723 6.865 967 HG2 GLU 119 1HG GLU 119 10.558 1.289 4.815 968 HG3 GLU 119 2HG GLU 119 11.347 2.617 5.665 969 H GLU 120 H GLU 120 10.125 -1.051 8.628 970 HA GLU 120 HA GLU 120 12.223 -1.998 10.163 971 HB2 GLU 120 1HB GLU 120 10.023 -1.234 11.039 972 HB3 GLU 120 2HB GLU 120 9.310 -2.739 10.478 973 HG2 GLU 120 1HG GLU 120 9.699 -3.044 12.765 974 HG3 GLU 120 2HG GLU 120 10.988 -3.927 11.949 975 H ARG 121 H ARG 121 9.849 -3.837 8.279 976 HA ARG 121 HA ARG 121 10.949 -6.379 9.016 977 HB2 ARG 121 1HB ARG 121 8.904 -5.480 7.004 978 HB3 ARG 121 2HB ARG 121 9.474 -7.143 7.035 979 HG2 ARG 121 1HG ARG 121 8.699 -7.397 9.316 980 HG3 ARG 121 2HG ARG 121 8.193 -5.706 9.350 981 HD2 ARG 121 1HD ARG 121 6.206 -6.775 8.881 982 HD3 ARG 121 2HD ARG 121 6.784 -6.375 7.264 983 HE ARG 121 HE ARG 121 7.006 -8.611 6.829 984 HH11 ARG 121 1HH1 ARG 121 6.688 -8.142 10.264 985 HH12 ARG 121 2HH1 ARG 121 6.554 -9.834 10.614 986 HH21 ARG 121 1HH2 ARG 121 6.830 -10.840 7.277 987 HH22 ARG 121 2HH2 ARG 121 6.636 -11.368 8.914 988 H GLN 122 H GLN 122 10.925 -4.493 5.991 989 HA GLN 122 HA GLN 122 12.414 -6.114 4.374 990 HB2 GLN 122 1HB GLN 122 11.454 -4.047 3.562 991 HB3 GLN 122 2HB GLN 122 12.524 -3.102 4.590 992 HG2 GLN 122 1HG GLN 122 13.412 -2.977 2.416 993 HG3 GLN 122 2HG GLN 122 14.448 -4.090 3.308 994 HE21 GLN 122 1HE2 GLN 122 13.593 -3.686 0.387 995 HE22 GLN 122 2HE2 GLN 122 13.218 -5.287 -0.141 996 H ARG 123 H ARG 123 13.753 -3.572 6.490 997 HA ARG 123 HA ARG 123 16.446 -4.478 6.069 998 HB2 ARG 123 1HB ARG 123 17.110 -2.603 7.219 999 HB3 ARG 123 2HB ARG 123 15.522 -2.084 6.671 1000 HG2 ARG 123 1HG ARG 123 14.634 -2.871 8.900 1001 HG3 ARG 123 2HG ARG 123 16.317 -3.031 9.407 1002 HD2 ARG 123 1HD ARG 123 16.628 -0.623 8.738 1003 HD3 ARG 123 2HD ARG 123 14.879 -0.532 8.538 1004 HE ARG 123 HE ARG 123 14.632 -0.568 10.832 1005 HH11 ARG 123 1HH1 ARG 123 17.936 -1.246 9.969 1006 HH12 ARG 123 2HH1 ARG 123 18.530 -1.083 11.588 1007 HH21 ARG 123 1HH2 ARG 123 15.402 -0.350 12.968 1008 HH22 ARG 123 2HH2 ARG 123 17.087 -0.573 13.293 1009 H ARG 124 H ARG 124 17.877 -4.985 7.959 1010 HA ARG 124 HA ARG 124 16.530 -6.358 10.154 1011 HB2 ARG 124 1HB ARG 124 18.214 -7.671 8.059 1012 HB3 ARG 124 2HB ARG 124 18.274 -8.278 9.708 1013 HG2 ARG 124 1HG ARG 124 15.660 -7.907 8.299 1014 HG3 ARG 124 2HG ARG 124 16.635 -9.358 8.056 1015 HD2 ARG 124 1HD ARG 124 15.916 -8.387 10.803 1016 HD3 ARG 124 2HD ARG 124 14.819 -9.405 9.871 1017 HE ARG 124 HE ARG 124 17.098 -10.811 9.771 1018 HH11 ARG 124 1HH1 ARG 124 15.415 -9.305 12.421 1019 HH12 ARG 124 2HH1 ARG 124 15.958 -10.459 13.593 1020 HH21 ARG 124 1HH2 ARG 124 17.820 -12.336 11.305 1021 HH22 ARG 124 2HH2 ARG 124 17.327 -12.182 12.958 1022 H ARG 125 H ARG 125 17.906 -6.801 11.957 1023 HA ARG 125 HA ARG 125 20.032 -4.852 12.215 1024 HB2 ARG 125 1HB ARG 125 18.615 -6.685 14.129 1025 HB3 ARG 125 2HB ARG 125 20.085 -5.846 14.604 1026 HG2 ARG 125 1HG ARG 125 19.067 -3.722 14.321 1027 HG3 ARG 125 2HG ARG 125 17.659 -4.434 13.531 1028 HD2 ARG 125 1HD ARG 125 16.912 -4.016 15.695 1029 HD3 ARG 125 2HD ARG 125 17.342 -5.725 15.733 1030 HE ARG 125 HE ARG 125 19.606 -4.489 16.559 1031 HH11 ARG 125 1HH1 ARG 125 16.276 -4.331 17.563 1032 HH12 ARG 125 2HH1 ARG 125 16.656 -3.967 19.214 1033 HH21 ARG 125 1HH2 ARG 125 20.118 -4.010 18.729 1034 HH22 ARG 125 2HH2 ARG 125 18.841 -3.784 19.876 1035 H LYS 126 H LYS 126 21.993 -5.650 13.587 1036 HA LYS 126 HA LYS 126 23.275 -7.717 12.017 1037 HB2 LYS 126 1HB LYS 126 24.203 -5.741 14.076 1038 HB3 LYS 126 2HB LYS 126 25.235 -7.088 13.614 1039 HG2 LYS 126 1HG LYS 126 25.945 -5.365 12.239 1040 HG3 LYS 126 2HG LYS 126 24.852 -6.286 11.203 1041 HD2 LYS 126 1HD LYS 126 24.302 -4.009 10.875 1042 HD3 LYS 126 2HD LYS 126 23.035 -4.671 11.911 1043 HE2 LYS 126 1HE LYS 126 24.181 -3.749 13.877 1044 HE3 LYS 126 2HE LYS 126 25.424 -3.070 12.827 1045 HZ1 LYS 126 3HZ LYS 126 24.037 -1.289 13.083 1046 HZ2 LYS 126 1HZ LYS 126 22.635 -2.231 13.187 1047 HZ3 LYS 126 2HZ LYS 126 23.371 -1.972 11.686 1048 H GLN 127 H GLN 127 23.904 -9.708 12.706 1049 HA GLN 127 HA GLN 127 22.510 -10.907 14.842 1050 HB2 GLN 127 1HB GLN 127 23.730 -12.903 14.324 1051 HB3 GLN 127 2HB GLN 127 23.355 -12.093 12.809 1052 HG2 GLN 127 1HG GLN 127 25.568 -11.372 12.519 1053 HG3 GLN 127 2HG GLN 127 25.991 -11.737 14.191 1054 HE21 GLN 127 1HE2 GLN 127 27.778 -12.885 13.167 1055 HE22 GLN 127 2HE2 GLN 127 27.531 -14.511 12.636 Start of MODEL 4 1 H1 GLY 1 H GLY 1 28.216 23.516 0.140 2 HA2 GLY 1 1HA GLY 1 30.936 24.553 0.655 3 HA3 GLY 1 2HA GLY 1 29.544 25.610 0.477 4 H SER 2 H SER 2 28.242 25.998 2.203 5 HA SER 2 HA SER 2 28.865 24.549 4.692 6 HB2 SER 2 1HB SER 2 28.325 27.512 4.377 7 HB3 SER 2 2HB SER 2 28.514 26.676 5.919 8 HG SER 2 HG SER 2 30.620 25.972 4.735 9 H SER 3 H SER 3 26.810 23.779 2.998 10 HA SER 3 HA SER 3 24.311 24.836 3.281 11 HB2 SER 3 1HB SER 3 24.653 22.895 1.899 12 HB3 SER 3 2HB SER 3 25.127 21.923 3.291 13 HG SER 3 HG SER 3 22.632 23.128 3.424 14 H GLY 4 H GLY 4 22.689 24.842 4.787 15 HA2 GLY 4 1HA GLY 4 23.501 24.066 7.509 16 HA3 GLY 4 2HA GLY 4 22.302 25.289 7.116 17 H SER 5 H SER 5 22.052 23.014 8.908 18 HA SER 5 HA SER 5 20.009 21.431 7.500 19 HB2 SER 5 1HB SER 5 20.351 19.691 9.113 20 HB3 SER 5 2HB SER 5 21.947 20.212 8.573 21 HG SER 5 HG SER 5 21.986 21.563 10.482 22 H SER 6 H SER 6 18.040 22.232 7.799 23 HA SER 6 HA SER 6 17.366 23.769 10.146 24 HB2 SER 6 1HB SER 6 16.529 24.067 7.674 25 HB3 SER 6 2HB SER 6 15.327 22.865 8.142 26 HG SER 6 HG SER 6 14.642 24.240 9.781 27 H GLY 7 H GLY 7 15.287 23.288 11.321 28 HA2 GLY 7 1HA GLY 7 14.062 20.809 11.435 29 HA3 GLY 7 2HA GLY 7 15.464 20.698 12.489 30 H MET 8 H MET 8 12.234 21.455 12.355 31 HA MET 8 HA MET 8 12.225 22.367 15.075 32 HB2 MET 8 1HB MET 8 11.046 24.484 14.652 33 HB3 MET 8 2HB MET 8 12.666 24.492 13.967 34 HG2 MET 8 1HG MET 8 10.277 23.781 12.309 35 HG3 MET 8 2HG MET 8 10.749 25.457 12.578 36 HE1 MET 8 3HE MET 8 11.160 23.104 9.507 37 HE2 MET 8 1HE MET 8 10.263 24.533 10.020 38 HE3 MET 8 2HE MET 8 11.655 24.703 8.950 39 H ALA 9 H ALA 9 9.906 22.849 15.786 40 HA ALA 9 HA ALA 9 8.182 20.810 14.588 41 HB1 ALA 9 3HB ALA 9 8.166 22.181 17.262 42 HB2 ALA 9 1HB ALA 9 6.831 21.173 16.703 43 HB3 ALA 9 2HB ALA 9 8.439 20.476 16.905 44 H SER 10 H SER 10 7.524 22.048 12.765 45 HA SER 10 HA SER 10 5.722 24.290 13.400 46 HB2 SER 10 1HB SER 10 7.485 23.722 11.043 47 HB3 SER 10 2HB SER 10 6.041 24.712 10.829 48 HG SER 10 HG SER 10 7.584 26.146 11.363 49 H SER 11 H SER 11 3.734 24.447 12.242 50 HA SER 11 HA SER 11 2.287 22.061 12.091 51 HB2 SER 11 1HB SER 11 0.456 23.367 11.336 52 HB3 SER 11 2HB SER 11 1.393 24.439 12.377 53 HG SER 11 HG SER 11 1.839 25.656 10.714 54 H VAL 12 H VAL 12 1.511 20.841 10.369 55 HA VAL 12 HA VAL 12 3.208 20.183 8.328 56 HB VAL 12 HB VAL 12 0.192 20.006 8.275 57 HG11 VAL 12 1HG1 VAL 12 0.507 19.409 6.140 58 HG12 VAL 12 2HG1 VAL 12 2.247 19.207 6.355 59 HG13 VAL 12 3HG1 VAL 12 1.145 17.906 6.806 60 HG21 VAL 12 3HG2 VAL 12 0.371 17.918 9.295 61 HG22 VAL 12 1HG2 VAL 12 2.090 17.779 8.926 62 HG23 VAL 12 2HG2 VAL 12 1.544 18.901 10.172 63 H ASP 13 H ASP 13 3.599 20.830 6.266 64 HA ASP 13 HA ASP 13 2.101 23.168 5.282 65 HB2 ASP 13 1HB ASP 13 4.447 23.602 4.100 66 HB3 ASP 13 2HB ASP 13 4.094 24.210 5.716 67 H GLU 14 H GLU 14 2.714 23.491 2.825 68 HA GLU 14 HA GLU 14 1.615 21.310 1.434 69 HB2 GLU 14 1HB GLU 14 2.244 22.572 -0.613 70 HB3 GLU 14 2HB GLU 14 1.382 23.547 0.568 71 HG2 GLU 14 1HG GLU 14 3.409 24.611 1.264 72 HG3 GLU 14 2HG GLU 14 4.373 23.530 0.260 73 H GLU 15 H GLU 15 4.904 22.205 2.155 74 HA GLU 15 HA GLU 15 6.095 20.428 0.241 75 HB2 GLU 15 1HB GLU 15 8.205 20.978 1.349 76 HB3 GLU 15 2HB GLU 15 7.277 22.431 1.003 77 HG2 GLU 15 1HG GLU 15 7.973 22.867 3.130 78 HG3 GLU 15 2HG GLU 15 6.416 22.106 3.448 79 H ALA 16 H ALA 16 5.425 20.339 3.712 80 HA ALA 16 HA ALA 16 6.742 18.118 4.550 81 HB1 ALA 16 3HB ALA 16 4.100 19.279 5.253 82 HB2 ALA 16 1HB ALA 16 4.502 17.683 5.888 83 HB3 ALA 16 2HB ALA 16 5.542 19.063 6.244 84 H LEU 17 H LEU 17 3.683 18.161 2.754 85 HA LEU 17 HA LEU 17 3.308 15.354 2.759 86 HB2 LEU 17 1HB LEU 17 2.280 17.305 0.711 87 HB3 LEU 17 2HB LEU 17 1.603 15.732 1.127 88 HG LEU 17 HG LEU 17 1.686 18.069 3.029 89 HD11 LEU 17 1HD1 LEU 17 -0.933 17.396 2.060 90 HD12 LEU 17 2HD1 LEU 17 0.125 17.834 0.720 91 HD13 LEU 17 3HD1 LEU 17 -0.104 18.952 2.064 92 HD21 LEU 17 3HD2 LEU 17 1.482 15.618 3.816 93 HD22 LEU 17 1HD2 LEU 17 -0.144 15.701 3.138 94 HD23 LEU 17 2HD2 LEU 17 0.330 16.806 4.429 95 H HIS 18 H HIS 18 4.556 17.573 0.268 96 HA HIS 18 HA HIS 18 5.069 15.878 -1.789 97 HB2 HIS 18 1HB HIS 18 5.573 18.226 -1.981 98 HB3 HIS 18 2HB HIS 18 6.825 18.108 -0.748 99 HD1 HIS 18 1HD HIS 18 9.076 18.161 -1.739 100 HD2 HIS 18 2HD HIS 18 6.342 16.303 -4.254 101 HE1 HIS 18 1HE HIS 18 10.384 17.500 -3.782 102 HE2 HIS 18 2HE HIS 18 8.691 16.454 -5.326 103 H GLN 19 H GLN 19 7.380 16.532 0.851 104 HA GLN 19 HA GLN 19 9.454 14.945 0.278 105 HB2 GLN 19 1HB GLN 19 8.067 15.064 2.961 106 HB3 GLN 19 2HB GLN 19 9.700 14.464 2.701 107 HG2 GLN 19 1HG GLN 19 8.796 17.260 2.056 108 HG3 GLN 19 2HG GLN 19 9.594 16.787 3.555 109 HE21 GLN 19 1HE2 GLN 19 9.965 17.129 0.097 110 HE22 GLN 19 2HE2 GLN 19 11.692 17.168 0.090 111 H LEU 20 H LEU 20 6.405 13.755 1.658 112 HA LEU 20 HA LEU 20 7.165 11.040 1.769 113 HB2 LEU 20 1HB LEU 20 5.333 11.613 3.083 114 HB3 LEU 20 2HB LEU 20 4.543 12.482 1.769 115 HG LEU 20 HG LEU 20 4.358 10.100 0.700 116 HD11 LEU 20 1HD1 LEU 20 3.870 8.508 2.707 117 HD12 LEU 20 2HD1 LEU 20 5.008 9.551 3.559 118 HD13 LEU 20 3HD1 LEU 20 5.517 8.695 2.104 119 HD21 LEU 20 3HD2 LEU 20 2.284 10.871 1.046 120 HD22 LEU 20 1HD2 LEU 20 2.702 11.574 2.609 121 HD23 LEU 20 2HD2 LEU 20 2.312 9.857 2.490 122 H TYR 21 H TYR 21 5.369 12.898 -0.665 123 HA TYR 21 HA TYR 21 4.676 10.891 -2.413 124 HB2 TYR 21 1HB TYR 21 5.361 13.778 -2.772 125 HB3 TYR 21 2HB TYR 21 5.146 12.777 -4.203 126 HD1 TYR 21 1HD TYR 21 3.437 13.720 -1.027 127 HD2 TYR 21 2HD TYR 21 3.012 12.443 -5.063 128 HE1 TYR 21 1HE TYR 21 1.001 14.010 -0.855 129 HE2 TYR 21 2HE TYR 21 0.575 12.730 -4.903 130 HH TYR 21 HH TYR 21 -0.925 14.469 -2.595 131 H LEU 22 H LEU 22 7.759 12.630 -2.214 132 HA LEU 22 HA LEU 22 9.078 11.690 -4.413 133 HB2 LEU 22 1HB LEU 22 10.116 12.123 -1.621 134 HB3 LEU 22 2HB LEU 22 11.161 11.794 -3.002 135 HG LEU 22 HG LEU 22 9.278 14.097 -3.163 136 HD11 LEU 22 1HD1 LEU 22 10.333 15.420 -1.689 137 HD12 LEU 22 2HD1 LEU 22 11.913 14.715 -2.028 138 HD13 LEU 22 3HD1 LEU 22 10.800 13.897 -0.931 139 HD21 LEU 22 3HD2 LEU 22 11.022 15.026 -4.533 140 HD22 LEU 22 1HD2 LEU 22 10.693 13.378 -5.069 141 HD23 LEU 22 2HD2 LEU 22 12.122 13.719 -4.092 142 H TRP 23 H TRP 23 8.815 10.053 -1.268 143 HA TRP 23 HA TRP 23 10.358 7.837 -1.700 144 HB2 TRP 23 1HB TRP 23 9.399 8.060 0.440 145 HB3 TRP 23 2HB TRP 23 7.766 8.176 -0.208 146 HD1 TRP 23 HD TRP 23 10.402 5.397 -0.833 147 HE1 TRP 23 1HE TRP 23 9.346 3.145 -0.174 148 HE3 TRP 23 3HE TRP 23 5.916 7.092 0.940 149 HZ2 TRP 23 2HZ TRP 23 6.930 2.210 0.949 150 HZ3 TRP 23 3HZ TRP 23 4.289 5.453 1.789 151 HH2 TRP 23 HH TRP 23 4.787 3.063 1.791 152 H VAL 24 H VAL 24 6.962 8.267 -2.657 153 HA VAL 24 HA VAL 24 6.554 5.737 -3.769 154 HB VAL 24 HB VAL 24 5.314 8.343 -4.664 155 HG11 VAL 24 1HG1 VAL 24 3.693 7.137 -5.773 156 HG12 VAL 24 2HG1 VAL 24 5.128 6.158 -6.080 157 HG13 VAL 24 3HG1 VAL 24 3.982 5.676 -4.829 158 HG21 VAL 24 3HG2 VAL 24 4.904 6.631 -2.299 159 HG22 VAL 24 1HG2 VAL 24 4.594 8.352 -2.525 160 HG23 VAL 24 2HG2 VAL 24 3.441 7.162 -3.127 161 H ASP 25 H ASP 25 7.866 8.693 -5.190 162 HA ASP 25 HA ASP 25 7.962 7.901 -7.858 163 HB2 ASP 25 1HB ASP 25 8.425 10.201 -7.052 164 HB3 ASP 25 2HB ASP 25 9.964 9.642 -6.402 165 H ASN 26 H ASN 26 10.381 7.475 -5.292 166 HA ASN 26 HA ASN 26 12.468 6.384 -6.660 167 HB2 ASN 26 1HB ASN 26 12.305 6.785 -4.166 168 HB3 ASN 26 2HB ASN 26 11.466 5.242 -4.049 169 HD21 ASN 26 1HD2 ASN 26 12.608 3.335 -4.760 170 HD22 ASN 26 2HD2 ASN 26 14.329 3.277 -4.624 171 H ILE 27 H ILE 27 9.409 4.859 -5.892 172 HA ILE 27 HA ILE 27 10.276 2.266 -6.851 173 HB ILE 27 HB ILE 27 7.434 3.046 -6.250 174 HG12 ILE 27 1HG1 ILE 27 9.285 1.884 -4.188 175 HG13 ILE 27 2HG1 ILE 27 9.170 3.627 -4.406 176 HG21 ILE 27 1HG2 ILE 27 7.180 0.693 -5.728 177 HG22 ILE 27 2HG2 ILE 27 7.851 0.884 -7.346 178 HG23 ILE 27 3HG2 ILE 27 8.900 0.423 -6.006 179 HD11 ILE 27 3HD1 ILE 27 6.536 2.688 -4.242 180 HD12 ILE 27 1HD1 ILE 27 7.440 1.860 -2.975 181 HD13 ILE 27 2HD1 ILE 27 7.432 3.622 -3.044 182 HA PRO 28 HA PRO 28 9.215 3.005 -11.074 183 HB2 PRO 28 1HB PRO 28 9.137 0.418 -11.893 184 HB3 PRO 28 2HB PRO 28 10.647 1.277 -11.566 185 HG2 PRO 28 1HG PRO 28 9.144 -0.639 -9.826 186 HG3 PRO 28 2HG PRO 28 10.888 -0.530 -10.123 187 HD2 PRO 28 1HD PRO 28 9.724 0.472 -7.892 188 HD3 PRO 28 2HD PRO 28 11.160 1.208 -8.633 189 H LEU 29 H LEU 29 7.139 2.051 -8.774 190 HA LEU 29 HA LEU 29 5.072 0.622 -9.583 191 HB2 LEU 29 1HB LEU 29 4.999 3.399 -8.442 192 HB3 LEU 29 2HB LEU 29 3.532 2.457 -8.698 193 HG LEU 29 HG LEU 29 5.824 1.575 -6.948 194 HD11 LEU 29 1HD1 LEU 29 3.197 2.547 -5.911 195 HD12 LEU 29 2HD1 LEU 29 4.480 3.698 -6.285 196 HD13 LEU 29 3HD1 LEU 29 4.755 2.429 -5.092 197 HD21 LEU 29 3HD2 LEU 29 4.346 -0.189 -7.917 198 HD22 LEU 29 1HD2 LEU 29 2.986 0.573 -7.092 199 HD23 LEU 29 2HD2 LEU 29 4.318 -0.104 -6.155 200 H SER 30 H SER 30 3.596 0.501 -11.172 201 HA SER 30 HA SER 30 3.917 2.193 -13.474 202 HB2 SER 30 1HB SER 30 3.469 -0.223 -13.704 203 HB3 SER 30 2HB SER 30 1.894 0.001 -12.944 204 HG SER 30 HG SER 30 2.794 0.942 -15.451 205 H ARG 31 H ARG 31 3.197 3.850 -11.480 206 HA ARG 31 HA ARG 31 0.441 4.268 -11.118 207 HB2 ARG 31 1HB ARG 31 2.496 6.469 -11.099 208 HB3 ARG 31 2HB ARG 31 1.017 6.351 -10.155 209 HG2 ARG 31 1HG ARG 31 2.137 4.256 -9.122 210 HG3 ARG 31 2HG ARG 31 3.626 4.953 -9.762 211 HD2 ARG 31 1HD ARG 31 1.694 6.294 -7.873 212 HD3 ARG 31 2HD ARG 31 3.273 5.631 -7.450 213 HE ARG 31 HE ARG 31 2.732 8.135 -8.784 214 HH11 ARG 31 1HH1 ARG 31 5.091 5.673 -8.079 215 HH12 ARG 31 2HH1 ARG 31 6.449 6.715 -8.345 216 HH21 ARG 31 1HH2 ARG 31 4.513 9.516 -9.138 217 HH22 ARG 31 2HH2 ARG 31 6.119 8.901 -8.947 218 HA PRO 32 HA PRO 32 -0.853 5.962 -14.968 219 HB2 PRO 32 1HB PRO 32 -3.002 7.386 -14.120 220 HB3 PRO 32 2HB PRO 32 -3.000 5.622 -14.226 221 HG2 PRO 32 1HG PRO 32 -2.591 7.377 -11.835 222 HG3 PRO 32 2HG PRO 32 -3.551 5.893 -11.983 223 HD2 PRO 32 1HD PRO 32 -1.080 5.925 -10.876 224 HD3 PRO 32 2HD PRO 32 -1.705 4.528 -11.776 225 H LYS 33 H LYS 33 -1.964 8.321 -15.551 226 HA LYS 33 HA LYS 33 0.150 10.244 -14.870 227 HB2 LYS 33 1HB LYS 33 -1.815 10.368 -17.163 228 HB3 LYS 33 2HB LYS 33 -0.401 11.387 -16.926 229 HG2 LYS 33 1HG LYS 33 -0.362 8.421 -17.447 230 HG3 LYS 33 2HG LYS 33 -0.011 9.687 -18.627 231 HD2 LYS 33 1HD LYS 33 1.918 10.392 -17.367 232 HD3 LYS 33 2HD LYS 33 1.526 9.267 -16.065 233 HE2 LYS 33 1HE LYS 33 2.024 7.389 -17.412 234 HE3 LYS 33 2HE LYS 33 2.061 8.361 -18.882 235 HZ1 LYS 33 3HZ LYS 33 4.239 8.512 -18.579 236 HZ2 LYS 33 1HZ LYS 33 4.155 7.809 -17.042 237 HZ3 LYS 33 2HZ LYS 33 3.944 9.477 -17.221 238 H ARG 34 H ARG 34 -3.327 9.781 -14.929 239 HA ARG 34 HA ARG 34 -4.200 12.368 -14.445 240 HB2 ARG 34 1HB ARG 34 -5.283 9.683 -13.634 241 HB3 ARG 34 2HB ARG 34 -6.101 11.170 -13.173 242 HG2 ARG 34 1HG ARG 34 -5.436 10.473 -16.021 243 HG3 ARG 34 2HG ARG 34 -6.963 10.047 -15.244 244 HD2 ARG 34 1HD ARG 34 -5.921 12.866 -15.345 245 HD3 ARG 34 2HD ARG 34 -6.937 12.184 -16.614 246 HE ARG 34 HE ARG 34 -8.293 11.718 -14.276 247 HH11 ARG 34 1HH1 ARG 34 -7.058 14.519 -15.934 248 HH12 ARG 34 2HH1 ARG 34 -8.282 15.581 -15.324 249 HH21 ARG 34 1HH2 ARG 34 -9.911 13.107 -13.466 250 HH22 ARG 34 2HH2 ARG 34 -9.904 14.777 -13.919 251 H ASN 35 H ASN 35 -5.316 12.969 -12.260 252 HA ASN 35 HA ASN 35 -3.452 13.731 -10.435 253 HB2 ASN 35 1HB ASN 35 -5.908 14.389 -10.535 254 HB3 ASN 35 2HB ASN 35 -6.243 12.930 -9.608 255 HD21 ASN 35 1HD2 ASN 35 -5.349 16.174 -9.484 256 HD22 ASN 35 2HD2 ASN 35 -4.969 16.264 -7.801 257 H LEU 36 H LEU 36 -2.616 12.963 -8.501 258 HA LEU 36 HA LEU 36 -2.323 10.112 -8.339 259 HB2 LEU 36 1HB LEU 36 -1.369 12.259 -6.449 260 HB3 LEU 36 2HB LEU 36 -0.841 10.577 -6.462 261 HG LEU 36 HG LEU 36 -0.445 12.212 -8.922 262 HD11 LEU 36 1HD1 LEU 36 0.314 13.452 -6.752 263 HD12 LEU 36 2HD1 LEU 36 1.384 13.368 -8.150 264 HD13 LEU 36 3HD1 LEU 36 1.633 12.281 -6.784 265 HD21 LEU 36 3HD2 LEU 36 0.888 9.893 -7.567 266 HD22 LEU 36 1HD2 LEU 36 1.710 10.817 -8.824 267 HD23 LEU 36 2HD2 LEU 36 0.196 9.987 -9.187 268 H SER 37 H SER 37 -3.740 12.611 -6.243 269 HA SER 37 HA SER 37 -4.538 11.185 -4.081 270 HB2 SER 37 1HB SER 37 -4.983 13.641 -4.585 271 HB3 SER 37 2HB SER 37 -6.417 13.105 -5.461 272 HG SER 37 HG SER 37 -6.993 12.009 -3.435 273 H ARG 38 H ARG 38 -6.304 11.380 -7.161 274 HA ARG 38 HA ARG 38 -8.419 9.675 -6.398 275 HB2 ARG 38 1HB ARG 38 -7.360 10.732 -8.974 276 HB3 ARG 38 2HB ARG 38 -8.454 9.357 -9.040 277 HG2 ARG 38 1HG ARG 38 -9.964 10.810 -7.511 278 HG3 ARG 38 2HG ARG 38 -8.974 12.144 -8.107 279 HD2 ARG 38 1HD ARG 38 -10.960 11.901 -9.475 280 HD3 ARG 38 2HD ARG 38 -9.522 11.499 -10.413 281 HE ARG 38 HE ARG 38 -10.436 9.114 -9.390 282 HH11 ARG 38 1HH1 ARG 38 -11.695 11.631 -11.440 283 HH12 ARG 38 2HH1 ARG 38 -12.727 10.565 -12.335 284 HH21 ARG 38 1HH2 ARG 38 -11.791 7.701 -10.562 285 HH22 ARG 38 2HH2 ARG 38 -12.781 8.330 -11.834 286 H ASP 39 H ASP 39 -5.379 9.059 -8.117 287 HA ASP 39 HA ASP 39 -5.774 6.368 -8.714 288 HB2 ASP 39 1HB ASP 39 -3.102 7.531 -7.935 289 HB3 ASP 39 2HB ASP 39 -3.430 6.226 -9.073 290 H PHE 40 H PHE 40 -3.897 7.677 -5.973 291 HA PHE 40 HA PHE 40 -3.574 5.235 -4.648 292 HB2 PHE 40 1HB PHE 40 -3.363 8.104 -3.859 293 HB3 PHE 40 2HB PHE 40 -3.393 6.893 -2.581 294 HD1 PHE 40 2HD PHE 40 -1.568 8.037 -5.575 295 HD2 PHE 40 1HD PHE 40 -1.511 5.543 -2.127 296 HE1 PHE 40 2HE PHE 40 0.834 7.628 -5.916 297 HE2 PHE 40 1HE PHE 40 0.891 5.130 -2.461 298 HZ PHE 40 HZ PHE 40 2.067 6.172 -4.358 299 H SER 41 H SER 41 -5.975 7.807 -4.131 300 HA SER 41 HA SER 41 -7.380 7.024 -2.003 301 HB2 SER 41 1HB SER 41 -8.112 8.889 -3.377 302 HB3 SER 41 2HB SER 41 -8.575 7.791 -4.677 303 HG SER 41 HG SER 41 -10.413 8.284 -3.535 304 H ASP 42 H ASP 42 -7.456 5.400 -5.132 305 HA ASP 42 HA ASP 42 -9.539 3.620 -4.712 306 HB2 ASP 42 1HB ASP 42 -8.004 4.033 -6.797 307 HB3 ASP 42 2HB ASP 42 -7.054 2.713 -6.119 308 H GLY 43 H GLY 43 -6.067 3.036 -4.115 309 HA2 GLY 43 1HA GLY 43 -5.400 2.039 -1.992 310 HA3 GLY 43 2HA GLY 43 -6.876 1.088 -2.049 311 H VAL 44 H VAL 44 -6.818 0.160 -4.651 312 HA VAL 44 HA VAL 44 -5.380 -2.153 -4.520 313 HB VAL 44 HB VAL 44 -6.120 -0.589 -6.994 314 HG11 VAL 44 1HG1 VAL 44 -5.738 -2.571 -8.284 315 HG12 VAL 44 2HG1 VAL 44 -4.263 -2.209 -7.384 316 HG13 VAL 44 3HG1 VAL 44 -5.339 -3.496 -6.837 317 HG21 VAL 44 3HG2 VAL 44 -7.447 -2.828 -5.479 318 HG22 VAL 44 1HG2 VAL 44 -8.062 -1.201 -5.769 319 HG23 VAL 44 2HG2 VAL 44 -7.923 -2.342 -7.106 320 H LEU 45 H LEU 45 -4.275 0.974 -5.701 321 HA LEU 45 HA LEU 45 -1.849 0.140 -6.843 322 HB2 LEU 45 1HB LEU 45 -2.974 2.385 -7.073 323 HB3 LEU 45 2HB LEU 45 -2.335 2.778 -5.478 324 HG LEU 45 HG LEU 45 -0.044 2.494 -6.364 325 HD11 LEU 45 1HD1 LEU 45 -1.462 2.159 -9.003 326 HD12 LEU 45 2HD1 LEU 45 -0.502 0.941 -8.165 327 HD13 LEU 45 3HD1 LEU 45 0.275 2.392 -8.798 328 HD21 LEU 45 3HD2 LEU 45 -0.551 4.461 -8.208 329 HD22 LEU 45 1HD2 LEU 45 -0.336 4.706 -6.474 330 HD23 LEU 45 2HD2 LEU 45 -1.959 4.550 -7.148 331 H VAL 46 H VAL 46 -2.532 1.429 -3.593 332 HA VAL 46 HA VAL 46 -0.103 1.509 -2.433 333 HB VAL 46 HB VAL 46 -2.556 0.267 -1.180 334 HG11 VAL 46 1HG1 VAL 46 -1.458 0.089 0.753 335 HG12 VAL 46 2HG1 VAL 46 0.023 0.295 -0.184 336 HG13 VAL 46 3HG1 VAL 46 -0.739 1.690 0.582 337 HG21 VAL 46 3HG2 VAL 46 -2.690 2.624 -0.167 338 HG22 VAL 46 1HG2 VAL 46 -1.602 3.096 -1.472 339 HG23 VAL 46 2HG2 VAL 46 -3.186 2.416 -1.846 340 H ALA 47 H ALA 47 -2.037 -1.462 -2.766 341 HA ALA 47 HA ALA 47 -0.428 -3.292 -1.542 342 HB1 ALA 47 3HB ALA 47 -2.379 -4.208 -2.325 343 HB2 ALA 47 1HB ALA 47 -2.224 -3.457 -3.914 344 HB3 ALA 47 2HB ALA 47 -1.226 -4.850 -3.495 345 H GLU 48 H GLU 48 -0.112 -2.139 -4.892 346 HA GLU 48 HA GLU 48 1.962 -3.707 -5.769 347 HB2 GLU 48 1HB GLU 48 1.517 -0.769 -6.321 348 HB3 GLU 48 2HB GLU 48 2.582 -1.814 -7.250 349 HG2 GLU 48 1HG GLU 48 0.514 -3.257 -7.656 350 HG3 GLU 48 2HG GLU 48 -0.406 -1.872 -7.073 351 H VAL 49 H VAL 49 2.214 -0.645 -3.979 352 HA VAL 49 HA VAL 49 4.922 -0.290 -3.899 353 HB VAL 49 HB VAL 49 2.977 0.138 -1.628 354 HG11 VAL 49 1HG1 VAL 49 4.584 1.581 -0.623 355 HG12 VAL 49 2HG1 VAL 49 5.391 0.046 -0.951 356 HG13 VAL 49 3HG1 VAL 49 5.670 1.433 -2.005 357 HG21 VAL 49 3HG2 VAL 49 3.826 2.545 -2.866 358 HG22 VAL 49 1HG2 VAL 49 3.308 1.435 -4.135 359 HG23 VAL 49 2HG2 VAL 49 2.207 1.847 -2.820 360 H ILE 50 H ILE 50 3.029 -2.212 -1.568 361 HA ILE 50 HA ILE 50 5.081 -3.118 0.033 362 HB ILE 50 HB ILE 50 2.644 -4.686 -0.819 363 HG12 ILE 50 1HG1 ILE 50 3.042 -2.989 1.650 364 HG13 ILE 50 2HG1 ILE 50 2.233 -2.415 0.196 365 HG21 ILE 50 1HG2 ILE 50 4.460 -6.030 0.226 366 HG22 ILE 50 2HG2 ILE 50 4.325 -5.012 1.659 367 HG23 ILE 50 3HG2 ILE 50 2.961 -6.009 1.154 368 HD11 ILE 50 3HD1 ILE 50 0.803 -3.279 2.133 369 HD12 ILE 50 1HD1 ILE 50 0.420 -3.831 0.502 370 HD13 ILE 50 2HD1 ILE 50 1.306 -4.885 1.605 371 H LYS 51 H LYS 51 3.869 -4.568 -2.975 372 HA LYS 51 HA LYS 51 5.155 -6.889 -3.221 373 HB2 LYS 51 1HB LYS 51 3.864 -5.599 -5.010 374 HB3 LYS 51 2HB LYS 51 5.399 -4.849 -5.427 375 HG2 LYS 51 1HG LYS 51 5.335 -6.578 -6.922 376 HG3 LYS 51 2HG LYS 51 6.225 -7.324 -5.593 377 HD2 LYS 51 1HD LYS 51 4.113 -8.304 -4.771 378 HD3 LYS 51 2HD LYS 51 3.274 -7.610 -6.160 379 HE2 LYS 51 1HE LYS 51 5.661 -9.356 -6.585 380 HE3 LYS 51 2HE LYS 51 4.099 -10.087 -6.221 381 HZ1 LYS 51 3HZ LYS 51 4.332 -9.958 -8.571 382 HZ2 LYS 51 1HZ LYS 51 4.755 -8.321 -8.512 383 HZ3 LYS 51 2HZ LYS 51 3.183 -8.802 -8.118 384 H PHE 52 H PHE 52 6.766 -3.825 -4.095 385 HA PHE 52 HA PHE 52 9.266 -4.660 -4.679 386 HB2 PHE 52 1HB PHE 52 8.457 -2.276 -4.586 387 HB3 PHE 52 2HB PHE 52 8.748 -2.312 -2.850 388 HD1 PHE 52 2HD PHE 52 11.156 -3.020 -2.130 389 HD2 PHE 52 1HD PHE 52 10.130 -1.561 -5.994 390 HE1 PHE 52 2HE PHE 52 13.503 -2.387 -2.510 391 HE2 PHE 52 1HE PHE 52 12.475 -0.926 -6.381 392 HZ PHE 52 HZ PHE 52 14.165 -1.338 -4.638 393 H TYR 53 H TYR 53 8.037 -4.125 -1.389 394 HA TYR 53 HA TYR 53 10.458 -5.008 -0.143 395 HB2 TYR 53 1HB TYR 53 7.683 -4.502 0.938 396 HB3 TYR 53 2HB TYR 53 9.044 -4.977 1.947 397 HD1 TYR 53 1HD TYR 53 10.989 -3.446 2.193 398 HD2 TYR 53 2HD TYR 53 7.440 -2.262 0.167 399 HE1 TYR 53 1HE TYR 53 11.663 -1.089 2.403 400 HE2 TYR 53 2HE TYR 53 8.104 0.098 0.371 401 HH TYR 53 HH TYR 53 11.110 1.025 2.024 402 H PHE 54 H PHE 54 7.195 -6.411 -0.428 403 HA PHE 54 HA PHE 54 8.404 -9.077 -0.315 404 HB2 PHE 54 1HB PHE 54 5.913 -8.405 1.250 405 HB3 PHE 54 2HB PHE 54 6.864 -9.885 1.315 406 HD1 PHE 54 1HD PHE 54 9.432 -9.438 1.947 407 HD2 PHE 54 2HD PHE 54 6.144 -6.945 2.994 408 HE1 PHE 54 1HE PHE 54 10.729 -8.523 3.826 409 HE2 PHE 54 2HE PHE 54 7.437 -6.025 4.874 410 HZ PHE 54 HZ PHE 54 9.732 -6.813 5.292 411 HA PRO 55 HA PRO 55 5.692 -9.261 -3.877 412 HB2 PRO 55 1HB PRO 55 6.598 -11.668 -4.745 413 HB3 PRO 55 2HB PRO 55 7.474 -10.157 -5.016 414 HG2 PRO 55 1HG PRO 55 7.920 -12.257 -2.929 415 HG3 PRO 55 2HG PRO 55 9.112 -11.382 -3.908 416 HD2 PRO 55 1HD PRO 55 8.564 -10.716 -1.342 417 HD3 PRO 55 2HD PRO 55 9.034 -9.514 -2.560 418 H LYS 56 H LYS 56 6.261 -12.057 -1.746 419 HA LYS 56 HA LYS 56 3.944 -13.483 -2.402 420 HB2 LYS 56 1HB LYS 56 4.280 -14.640 -0.237 421 HB3 LYS 56 2HB LYS 56 5.756 -14.531 -1.187 422 HG2 LYS 56 1HG LYS 56 6.572 -12.737 0.189 423 HG3 LYS 56 2HG LYS 56 5.047 -12.676 1.076 424 HD2 LYS 56 1HD LYS 56 6.319 -13.931 2.516 425 HD3 LYS 56 2HD LYS 56 5.590 -15.208 1.539 426 HE2 LYS 56 1HE LYS 56 7.582 -15.366 0.186 427 HE3 LYS 56 2HE LYS 56 8.302 -13.992 1.023 428 HZ1 LYS 56 3HZ LYS 56 9.100 -15.364 2.546 429 HZ2 LYS 56 1HZ LYS 56 8.460 -16.687 1.708 430 HZ3 LYS 56 2HZ LYS 56 7.549 -15.930 2.915 431 H MET 57 H MET 57 4.526 -11.025 0.078 432 HA MET 57 HA MET 57 2.181 -11.147 1.506 433 HB2 MET 57 1HB MET 57 3.952 -8.849 0.739 434 HB3 MET 57 2HB MET 57 2.486 -8.568 1.668 435 HG2 MET 57 1HG MET 57 4.490 -10.596 2.564 436 HG3 MET 57 2HG MET 57 4.724 -8.882 2.903 437 HE1 MET 57 3HE MET 57 1.453 -7.901 4.364 438 HE2 MET 57 1HE MET 57 2.862 -7.782 5.419 439 HE3 MET 57 2HE MET 57 3.021 -7.446 3.695 440 H VAL 58 H VAL 58 2.764 -9.188 -1.416 441 HA VAL 58 HA VAL 58 0.023 -8.391 -1.628 442 HB VAL 58 HB VAL 58 2.204 -8.238 -3.714 443 HG11 VAL 58 1HG1 VAL 58 -0.602 -7.572 -3.751 444 HG12 VAL 58 2HG1 VAL 58 0.393 -6.141 -4.031 445 HG13 VAL 58 3HG1 VAL 58 0.573 -7.558 -5.066 446 HG21 VAL 58 3HG2 VAL 58 2.607 -7.085 -1.469 447 HG22 VAL 58 1HG2 VAL 58 2.743 -6.096 -2.923 448 HG23 VAL 58 2HG2 VAL 58 1.291 -6.003 -1.926 449 H GLU 59 H GLU 59 -1.603 -9.286 -2.762 450 HA GLU 59 HA GLU 59 -1.094 -11.875 -4.017 451 HB2 GLU 59 1HB GLU 59 -3.658 -10.510 -3.186 452 HB3 GLU 59 2HB GLU 59 -3.594 -12.071 -3.992 453 HG2 GLU 59 1HG GLU 59 -2.065 -11.647 -1.468 454 HG3 GLU 59 2HG GLU 59 -3.802 -11.941 -1.408 455 H MET 60 H MET 60 -3.037 -8.966 -4.728 456 HA MET 60 HA MET 60 -3.621 -7.969 -6.686 457 HB2 MET 60 1HB MET 60 -0.927 -9.099 -7.253 458 HB3 MET 60 2HB MET 60 -1.869 -8.524 -8.622 459 HG2 MET 60 1HG MET 60 -1.586 -6.760 -6.247 460 HG3 MET 60 2HG MET 60 -0.214 -6.947 -7.336 461 HE1 MET 60 3HE MET 60 -3.360 -5.600 -6.426 462 HE2 MET 60 1HE MET 60 -3.621 -4.258 -7.541 463 HE3 MET 60 2HE MET 60 -4.346 -5.832 -7.871 464 H HIS 61 H HIS 61 -4.995 -10.267 -6.166 465 HA HIS 61 HA HIS 61 -5.393 -11.356 -8.869 466 HB2 HIS 61 1HB HIS 61 -4.986 -12.827 -6.310 467 HB3 HIS 61 2HB HIS 61 -6.157 -13.480 -7.451 468 HD1 HIS 61 1HD HIS 61 -3.473 -14.913 -6.728 469 HD2 HIS 61 2HD HIS 61 -4.090 -12.519 -10.067 470 HE1 HIS 61 1HE HIS 61 -1.750 -15.644 -8.407 471 HE2 HIS 61 2HE HIS 61 -2.087 -14.124 -10.387 472 H ASN 62 H ASN 62 -6.760 -10.634 -5.704 473 HA ASN 62 HA ASN 62 -9.469 -10.997 -6.734 474 HB2 ASN 62 1HB ASN 62 -10.191 -10.698 -4.417 475 HB3 ASN 62 2HB ASN 62 -8.930 -11.923 -4.514 476 HD21 ASN 62 1HD2 ASN 62 -6.814 -11.379 -3.825 477 HD22 ASN 62 2HD2 ASN 62 -6.558 -10.101 -2.691 478 H TYR 63 H TYR 63 -7.442 -8.484 -5.260 479 HA TYR 63 HA TYR 63 -9.308 -6.407 -5.305 480 HB2 TYR 63 1HB TYR 63 -6.297 -6.286 -5.563 481 HB3 TYR 63 2HB TYR 63 -7.330 -4.898 -5.244 482 HD1 TYR 63 2HD TYR 63 -8.940 -5.202 -3.155 483 HD2 TYR 63 1HD TYR 63 -5.321 -7.354 -3.764 484 HE1 TYR 63 2HE TYR 63 -8.810 -5.655 -0.741 485 HE2 TYR 63 1HE TYR 63 -5.181 -7.814 -1.352 486 HH TYR 63 HH TYR 63 -6.682 -7.939 0.588 487 H VAL 64 H VAL 64 -9.704 -4.730 -6.760 488 HA VAL 64 HA VAL 64 -8.466 -4.739 -9.371 489 HB VAL 64 HB VAL 64 -11.411 -5.356 -9.096 490 HG11 VAL 64 1HG1 VAL 64 -11.653 -5.103 -11.395 491 HG12 VAL 64 2HG1 VAL 64 -10.627 -3.738 -10.948 492 HG13 VAL 64 3HG1 VAL 64 -9.915 -5.174 -11.684 493 HG21 VAL 64 3HG2 VAL 64 -9.173 -6.979 -10.305 494 HG22 VAL 64 1HG2 VAL 64 -9.948 -7.295 -8.752 495 HG23 VAL 64 2HG2 VAL 64 -10.876 -7.434 -10.246 496 HA PRO 65 HA PRO 65 -9.333 -0.441 -8.872 497 HB2 PRO 65 1HB PRO 65 -8.834 0.353 -11.420 498 HB3 PRO 65 2HB PRO 65 -7.554 -0.082 -10.282 499 HG2 PRO 65 1HG PRO 65 -8.785 -1.719 -12.465 500 HG3 PRO 65 2HG PRO 65 -7.078 -1.561 -12.012 501 HD2 PRO 65 1HD PRO 65 -8.590 -3.681 -11.271 502 HD3 PRO 65 2HD PRO 65 -7.273 -3.048 -10.263 503 H ALA 66 H ALA 66 -11.239 0.555 -8.785 504 HA ALA 66 HA ALA 66 -13.079 0.348 -11.056 505 HB1 ALA 66 3HB ALA 66 -14.920 -0.316 -9.791 506 HB2 ALA 66 1HB ALA 66 -13.610 -1.329 -9.184 507 HB3 ALA 66 2HB ALA 66 -14.134 0.081 -8.263 508 H ASN 67 H ASN 67 -14.781 1.997 -11.015 509 HA ASN 67 HA ASN 67 -13.719 4.514 -10.028 510 HB2 ASN 67 1HB ASN 67 -15.986 3.811 -11.890 511 HB3 ASN 67 2HB ASN 67 -15.692 5.459 -11.343 512 HD21 ASN 67 1HD2 ASN 67 -13.433 6.253 -11.693 513 HD22 ASN 67 2HD2 ASN 67 -12.672 5.828 -13.184 514 H SER 68 H SER 68 -16.852 2.815 -9.905 515 HA SER 68 HA SER 68 -18.280 4.423 -8.254 516 HB2 SER 68 1HB SER 68 -19.162 2.330 -9.192 517 HB3 SER 68 2HB SER 68 -18.157 1.402 -8.080 518 HG SER 68 HG SER 68 -19.501 1.822 -6.499 519 H LEU 69 H LEU 69 -18.766 4.292 -5.933 520 HA LEU 69 HA LEU 69 -16.321 4.337 -4.398 521 HB2 LEU 69 1HB LEU 69 -19.174 4.857 -3.573 522 HB3 LEU 69 2HB LEU 69 -17.752 5.148 -2.574 523 HG LEU 69 HG LEU 69 -18.009 6.523 -5.216 524 HD11 LEU 69 1HD1 LEU 69 -20.029 7.263 -4.477 525 HD12 LEU 69 2HD1 LEU 69 -18.987 8.415 -3.642 526 HD13 LEU 69 3HD1 LEU 69 -19.627 7.017 -2.778 527 HD21 LEU 69 3HD2 LEU 69 -16.685 7.135 -2.581 528 HD22 LEU 69 1HD2 LEU 69 -16.790 8.286 -3.913 529 HD23 LEU 69 2HD2 LEU 69 -15.909 6.772 -4.123 530 H GLN 70 H GLN 70 -19.351 2.494 -4.388 531 HA GLN 70 HA GLN 70 -19.200 0.956 -2.193 532 HB2 GLN 70 1HB GLN 70 -20.833 0.783 -4.155 533 HB3 GLN 70 2HB GLN 70 -19.676 -0.328 -4.876 534 HG2 GLN 70 1HG GLN 70 -20.633 -0.820 -2.099 535 HG3 GLN 70 2HG GLN 70 -21.677 -1.219 -3.462 536 HE21 GLN 70 1HE2 GLN 70 -19.346 -2.370 -1.431 537 HE22 GLN 70 2HE2 GLN 70 -18.791 -3.711 -2.368 538 H GLN 71 H GLN 71 -17.312 0.402 -5.146 539 HA GLN 71 HA GLN 71 -15.980 -1.909 -4.184 540 HB2 GLN 71 1HB GLN 71 -16.230 -1.134 -6.606 541 HB3 GLN 71 2HB GLN 71 -14.903 -0.027 -6.276 542 HG2 GLN 71 1HG GLN 71 -13.994 -1.955 -7.315 543 HG3 GLN 71 2HG GLN 71 -13.522 -1.992 -5.617 544 HE21 GLN 71 1HE2 GLN 71 -13.536 -3.979 -4.874 545 HE22 GLN 71 2HE2 GLN 71 -14.704 -5.199 -5.236 546 H LYS 72 H LYS 72 -14.980 1.495 -4.434 547 HA LYS 72 HA LYS 72 -12.436 1.514 -3.608 548 HB2 LYS 72 1HB LYS 72 -14.613 3.287 -2.486 549 HB3 LYS 72 2HB LYS 72 -12.890 3.624 -2.390 550 HG2 LYS 72 1HG LYS 72 -14.228 3.203 -5.033 551 HG3 LYS 72 2HG LYS 72 -14.275 4.771 -4.223 552 HD2 LYS 72 1HD LYS 72 -11.995 5.091 -4.429 553 HD3 LYS 72 2HD LYS 72 -11.661 3.364 -4.571 554 HE2 LYS 72 1HE LYS 72 -11.312 4.219 -6.726 555 HE3 LYS 72 2HE LYS 72 -12.911 3.479 -6.791 556 HZ1 LYS 72 3HZ LYS 72 -12.366 6.376 -6.429 557 HZ2 LYS 72 1HZ LYS 72 -13.898 5.662 -6.501 558 HZ3 LYS 72 2HZ LYS 72 -12.892 5.644 -7.860 559 H LEU 73 H LEU 73 -15.148 1.432 -1.290 560 HA LEU 73 HA LEU 73 -13.464 0.939 0.950 561 HB2 LEU 73 1HB LEU 73 -16.430 0.501 0.638 562 HB3 LEU 73 2HB LEU 73 -15.547 0.521 2.163 563 HG LEU 73 HG LEU 73 -15.821 2.882 0.305 564 HD11 LEU 73 1HD1 LEU 73 -17.529 3.705 1.648 565 HD12 LEU 73 2HD1 LEU 73 -17.169 2.587 2.963 566 HD13 LEU 73 3HD1 LEU 73 -17.928 1.995 1.486 567 HD21 LEU 73 3HD2 LEU 73 -14.443 4.010 1.659 568 HD22 LEU 73 1HD2 LEU 73 -13.916 2.421 2.214 569 HD23 LEU 73 2HD2 LEU 73 -15.146 3.305 3.116 570 H SER 74 H SER 74 -15.303 -1.099 -1.242 571 HA SER 74 HA SER 74 -15.323 -3.498 0.111 572 HB2 SER 74 1HB SER 74 -16.428 -3.158 -2.060 573 HB3 SER 74 2HB SER 74 -14.855 -3.087 -2.854 574 HG SER 74 HG SER 74 -14.507 -5.236 -2.244 575 H ASN 75 H ASN 75 -12.808 -2.415 -2.178 576 HA ASN 75 HA ASN 75 -11.049 -4.550 -1.723 577 HB2 ASN 75 1HB ASN 75 -10.507 -1.727 -2.664 578 HB3 ASN 75 2HB ASN 75 -9.312 -3.020 -2.692 579 HD21 ASN 75 1HD2 ASN 75 -10.252 -1.567 -4.934 580 HD22 ASN 75 2HD2 ASN 75 -11.040 -2.686 -5.990 581 H TRP 76 H TRP 76 -10.728 -1.195 -0.544 582 HA TRP 76 HA TRP 76 -8.614 -1.418 1.124 583 HB2 TRP 76 1HB TRP 76 -11.116 0.189 1.246 584 HB3 TRP 76 2HB TRP 76 -10.097 0.167 2.682 585 HD1 TRP 76 HD TRP 76 -10.497 1.929 -0.533 586 HE1 TRP 76 1HE TRP 76 -8.453 3.418 -1.013 587 HE3 TRP 76 3HE TRP 76 -7.298 0.080 3.001 588 HZ2 TRP 76 2HZ TRP 76 -5.832 3.762 -0.025 589 HZ3 TRP 76 3HZ TRP 76 -5.041 1.043 3.167 590 HH2 TRP 76 HH TRP 76 -4.324 2.846 1.685 591 H GLY 77 H GLY 77 -11.972 -2.191 2.038 592 HA2 GLY 77 1HA GLY 77 -11.597 -2.940 4.657 593 HA3 GLY 77 2HA GLY 77 -12.788 -3.675 3.594 594 H HIS 78 H HIS 78 -11.250 -5.025 1.795 595 HA HIS 78 HA HIS 78 -10.555 -7.352 3.233 596 HB2 HIS 78 1HB HIS 78 -10.298 -6.480 0.381 597 HB3 HIS 78 2HB HIS 78 -9.469 -7.941 0.911 598 HD1 HIS 78 1HD HIS 78 -10.820 -9.862 0.153 599 HD2 HIS 78 2HD HIS 78 -13.199 -6.787 1.617 600 HE1 HIS 78 1HE HIS 78 -13.177 -10.735 0.065 601 HE2 HIS 78 2HE HIS 78 -14.607 -8.826 0.875 602 H LEU 79 H LEU 79 -8.699 -4.629 2.080 603 HA LEU 79 HA LEU 79 -6.133 -5.830 2.377 604 HB2 LEU 79 1HB LEU 79 -6.921 -3.677 1.088 605 HB3 LEU 79 2HB LEU 79 -6.535 -2.887 2.615 606 HG LEU 79 HG LEU 79 -4.246 -4.198 2.266 607 HD11 LEU 79 1HD1 LEU 79 -5.094 -3.622 -0.563 608 HD12 LEU 79 2HD1 LEU 79 -5.118 -5.232 0.155 609 HD13 LEU 79 3HD1 LEU 79 -3.592 -4.364 -0.011 610 HD21 LEU 79 3HD2 LEU 79 -3.967 -1.960 2.542 611 HD22 LEU 79 1HD2 LEU 79 -5.218 -1.545 1.370 612 HD23 LEU 79 2HD2 LEU 79 -3.624 -2.057 0.814 613 H ASN 80 H ASN 80 -8.419 -4.738 4.601 614 HA ASN 80 HA ASN 80 -6.579 -3.867 6.637 615 HB2 ASN 80 1HB ASN 80 -8.878 -2.973 6.505 616 HB3 ASN 80 2HB ASN 80 -9.513 -4.578 6.852 617 HD21 ASN 80 1HD2 ASN 80 -9.667 -1.970 8.289 618 HD22 ASN 80 2HD2 ASN 80 -9.139 -2.320 9.897 619 H ARG 81 H ARG 81 -8.222 -6.831 5.765 620 HA ARG 81 HA ARG 81 -7.026 -8.165 8.100 621 HB2 ARG 81 1HB ARG 81 -9.456 -8.782 6.441 622 HB3 ARG 81 2HB ARG 81 -8.689 -10.025 7.420 623 HG2 ARG 81 1HG ARG 81 -8.925 -8.269 9.332 624 HG3 ARG 81 2HG ARG 81 -10.158 -7.578 8.275 625 HD2 ARG 81 1HD ARG 81 -10.077 -10.419 9.287 626 HD3 ARG 81 2HD ARG 81 -11.134 -9.139 9.882 627 HE ARG 81 HE ARG 81 -11.692 -9.244 7.230 628 HH11 ARG 81 1HH1 ARG 81 -11.609 -11.618 9.775 629 HH12 ARG 81 2HH1 ARG 81 -12.842 -12.609 9.068 630 HH21 ARG 81 1HH2 ARG 81 -13.316 -10.540 6.290 631 HH22 ARG 81 2HH2 ARG 81 -13.812 -11.995 7.086 632 H LYS 82 H LYS 82 -6.356 -7.582 4.983 633 HA LYS 82 HA LYS 82 -5.215 -10.255 4.504 634 HB2 LYS 82 1HB LYS 82 -5.912 -8.066 2.539 635 HB3 LYS 82 2HB LYS 82 -5.109 -9.570 2.112 636 HG2 LYS 82 1HG LYS 82 -7.750 -9.616 3.509 637 HG3 LYS 82 2HG LYS 82 -7.658 -9.349 1.767 638 HD2 LYS 82 1HD LYS 82 -6.121 -11.463 1.821 639 HD3 LYS 82 2HD LYS 82 -6.926 -11.768 3.362 640 HE2 LYS 82 1HE LYS 82 -9.090 -11.293 1.937 641 HE3 LYS 82 2HE LYS 82 -8.040 -11.753 0.598 642 HZ1 LYS 82 3HZ LYS 82 -9.377 -13.585 1.682 643 HZ2 LYS 82 1HZ LYS 82 -8.336 -13.442 3.009 644 HZ3 LYS 82 2HZ LYS 82 -7.721 -13.876 1.494 645 H VAL 83 H VAL 83 -4.542 -6.843 4.754 646 HA VAL 83 HA VAL 83 -1.668 -7.431 4.456 647 HB VAL 83 HB VAL 83 -3.087 -4.850 3.781 648 HG11 VAL 83 1HG1 VAL 83 -0.188 -5.612 3.866 649 HG12 VAL 83 2HG1 VAL 83 -0.768 -4.318 2.815 650 HG13 VAL 83 3HG1 VAL 83 -0.985 -4.202 4.562 651 HG21 VAL 83 3HG2 VAL 83 -3.373 -6.781 2.185 652 HG22 VAL 83 1HG2 VAL 83 -2.640 -5.330 1.500 653 HG23 VAL 83 2HG2 VAL 83 -1.631 -6.715 1.918 654 H LEU 84 H LEU 84 -3.565 -4.679 5.684 655 HA LEU 84 HA LEU 84 -1.966 -3.692 7.583 656 HB2 LEU 84 1HB LEU 84 -4.896 -4.255 8.011 657 HB3 LEU 84 2HB LEU 84 -3.931 -3.074 8.894 658 HG LEU 84 HG LEU 84 -4.711 -2.970 5.982 659 HD11 LEU 84 1HD1 LEU 84 -5.348 -0.709 7.685 660 HD12 LEU 84 2HD1 LEU 84 -6.108 -2.202 8.234 661 HD13 LEU 84 3HD1 LEU 84 -6.380 -1.629 6.589 662 HD21 LEU 84 3HD2 LEU 84 -2.518 -2.088 6.088 663 HD22 LEU 84 1HD2 LEU 84 -2.854 -1.241 7.598 664 HD23 LEU 84 2HD2 LEU 84 -3.609 -0.701 6.098 665 H LYS 85 H LYS 85 -4.293 -6.288 8.350 666 HA LYS 85 HA LYS 85 -3.535 -6.862 10.910 667 HB2 LYS 85 1HB LYS 85 -5.384 -7.933 9.517 668 HB3 LYS 85 2HB LYS 85 -4.152 -9.030 8.907 669 HG2 LYS 85 1HG LYS 85 -5.055 -10.250 10.628 670 HG3 LYS 85 2HG LYS 85 -3.684 -9.476 11.426 671 HD2 LYS 85 1HD LYS 85 -5.040 -7.964 12.560 672 HD3 LYS 85 2HD LYS 85 -6.383 -8.175 11.434 673 HE2 LYS 85 1HE LYS 85 -5.433 -10.451 13.135 674 HE3 LYS 85 2HE LYS 85 -6.534 -9.239 13.787 675 HZ1 LYS 85 3HZ LYS 85 -7.132 -11.441 12.151 676 HZ2 LYS 85 1HZ LYS 85 -7.526 -10.029 11.307 677 HZ3 LYS 85 2HZ LYS 85 -8.196 -10.316 12.833 678 H ARG 86 H ARG 86 -2.052 -8.112 7.938 679 HA ARG 86 HA ARG 86 -0.176 -9.801 9.164 680 HB2 ARG 86 1HB ARG 86 0.012 -8.332 6.527 681 HB3 ARG 86 2HB ARG 86 1.053 -9.660 7.023 682 HG2 ARG 86 1HG ARG 86 -1.892 -10.081 7.010 683 HG3 ARG 86 2HG ARG 86 -1.021 -10.067 5.476 684 HD2 ARG 86 1HD ARG 86 0.325 -11.897 6.109 685 HD3 ARG 86 2HD ARG 86 -0.149 -11.758 7.801 686 HE ARG 86 HE ARG 86 -2.479 -12.263 6.460 687 HH11 ARG 86 1HH1 ARG 86 0.608 -13.845 6.755 688 HH12 ARG 86 2HH1 ARG 86 -0.040 -15.437 6.538 689 HH21 ARG 86 1HH2 ARG 86 -3.345 -14.353 6.172 690 HH22 ARG 86 2HH2 ARG 86 -2.289 -15.725 6.205 691 H LEU 87 H LEU 87 -0.089 -6.368 8.398 692 HA LEU 87 HA LEU 87 2.650 -6.151 9.383 693 HB2 LEU 87 1HB LEU 87 0.786 -4.145 8.128 694 HB3 LEU 87 2HB LEU 87 2.405 -3.757 8.707 695 HG LEU 87 HG LEU 87 2.046 -5.910 6.666 696 HD11 LEU 87 1HD1 LEU 87 1.992 -2.945 6.147 697 HD12 LEU 87 2HD1 LEU 87 0.775 -4.140 5.700 698 HD13 LEU 87 3HD1 LEU 87 2.355 -4.154 4.916 699 HD21 LEU 87 3HD2 LEU 87 4.240 -5.727 7.518 700 HD22 LEU 87 1HD2 LEU 87 4.210 -3.966 7.426 701 HD23 LEU 87 2HD2 LEU 87 4.264 -4.925 5.947 702 H ASN 88 H ASN 88 0.540 -6.865 11.220 703 HA ASN 88 HA ASN 88 -0.418 -6.249 13.209 704 HB2 ASN 88 1HB ASN 88 1.944 -6.506 13.821 705 HB3 ASN 88 2HB ASN 88 2.241 -4.818 13.419 706 HD21 ASN 88 1HD2 ASN 88 2.800 -4.048 15.370 707 HD22 ASN 88 2HD2 ASN 88 1.768 -4.051 16.756 708 H PHE 89 H PHE 89 -0.999 -4.470 10.952 709 HA PHE 89 HA PHE 89 -1.349 -1.912 12.361 710 HB2 PHE 89 1HB PHE 89 -0.198 -2.186 9.991 711 HB3 PHE 89 2HB PHE 89 -1.867 -2.184 9.433 712 HD1 PHE 89 1HD PHE 89 0.748 -0.218 11.098 713 HD2 PHE 89 2HD PHE 89 -3.189 -0.196 9.480 714 HE1 PHE 89 1HE PHE 89 0.726 2.240 11.193 715 HE2 PHE 89 2HE PHE 89 -3.217 2.262 9.571 716 HZ PHE 89 HZ PHE 89 -1.257 3.484 10.428 717 H SER 90 H SER 90 -3.386 -0.792 12.099 718 HA SER 90 HA SER 90 -5.670 -2.287 11.150 719 HB2 SER 90 1HB SER 90 -6.844 -2.411 13.240 720 HB3 SER 90 2HB SER 90 -5.253 -3.127 13.494 721 HG SER 90 HG SER 90 -4.675 -1.463 14.717 722 H VAL 91 H VAL 91 -7.410 -0.997 10.676 723 HA VAL 91 HA VAL 91 -7.393 1.789 11.549 724 HB VAL 91 HB VAL 91 -7.362 0.966 8.644 725 HG11 VAL 91 1HG1 VAL 91 -9.060 2.734 9.218 726 HG12 VAL 91 2HG1 VAL 91 -7.711 3.755 9.721 727 HG13 VAL 91 3HG1 VAL 91 -7.832 3.214 8.047 728 HG21 VAL 91 3HG2 VAL 91 -5.148 1.164 9.131 729 HG22 VAL 91 1HG2 VAL 91 -5.506 2.863 8.823 730 HG23 VAL 91 2HG2 VAL 91 -5.428 2.264 10.480 731 HA PRO 92 HA PRO 92 -11.720 0.933 11.822 732 HB2 PRO 92 1HB PRO 92 -12.570 3.484 12.201 733 HB3 PRO 92 2HB PRO 92 -11.768 2.541 13.463 734 HG2 PRO 92 1HG PRO 92 -10.627 4.623 11.640 735 HG3 PRO 92 2HG PRO 92 -10.356 4.387 13.376 736 HD2 PRO 92 1HD PRO 92 -8.589 3.558 11.500 737 HD3 PRO 92 2HD PRO 92 -8.824 2.698 13.035 738 H ASP 93 H ASP 93 -13.769 1.591 10.792 739 HA ASP 93 HA ASP 93 -13.506 1.737 7.978 740 HB2 ASP 93 1HB ASP 93 -15.906 1.694 7.906 741 HB3 ASP 93 2HB ASP 93 -15.389 0.625 9.208 742 H ASP 94 H ASP 94 -14.187 4.120 10.459 743 HA ASP 94 HA ASP 94 -15.148 6.213 8.911 744 HB2 ASP 94 1HB ASP 94 -13.424 6.247 11.391 745 HB3 ASP 94 2HB ASP 94 -14.133 7.698 10.686 746 H VAL 95 H VAL 95 -11.780 5.390 9.693 747 HA VAL 95 HA VAL 95 -10.555 7.520 8.356 748 HB VAL 95 HB VAL 95 -9.599 4.748 9.024 749 HG11 VAL 95 1HG1 VAL 95 -7.293 5.775 8.441 750 HG12 VAL 95 2HG1 VAL 95 -8.298 5.130 7.143 751 HG13 VAL 95 3HG1 VAL 95 -8.226 6.870 7.422 752 HG21 VAL 95 3HG2 VAL 95 -8.891 5.659 10.934 753 HG22 VAL 95 1HG2 VAL 95 -8.156 7.026 10.095 754 HG23 VAL 95 2HG2 VAL 95 -9.869 7.065 10.512 755 H MET 96 H MET 96 -11.329 4.245 7.205 756 HA MET 96 HA MET 96 -10.249 4.465 4.646 757 HB2 MET 96 1HB MET 96 -12.707 2.906 5.465 758 HB3 MET 96 2HB MET 96 -11.731 2.623 4.030 759 HG2 MET 96 1HG MET 96 -9.808 2.362 5.813 760 HG3 MET 96 2HG MET 96 -11.165 1.981 6.870 761 HE1 MET 96 3HE MET 96 -10.585 -1.680 6.451 762 HE2 MET 96 1HE MET 96 -9.809 -0.302 7.234 763 HE3 MET 96 2HE MET 96 -11.561 -0.491 7.316 764 H ARG 97 H ARG 97 -13.604 5.049 5.697 765 HA ARG 97 HA ARG 97 -14.853 5.712 3.406 766 HB2 ARG 97 1HB ARG 97 -15.029 6.800 6.169 767 HB3 ARG 97 2HB ARG 97 -15.866 7.682 4.899 768 HG2 ARG 97 1HG ARG 97 -16.796 5.298 4.304 769 HG3 ARG 97 2HG ARG 97 -16.392 4.969 5.990 770 HD2 ARG 97 1HD ARG 97 -17.899 7.454 5.359 771 HD3 ARG 97 2HD ARG 97 -18.758 5.916 5.278 772 HE ARG 97 HE ARG 97 -18.011 7.306 7.625 773 HH11 ARG 97 1HH1 ARG 97 -18.254 4.093 6.306 774 HH12 ARG 97 2HH1 ARG 97 -18.501 3.339 7.847 775 HH21 ARG 97 1HH2 ARG 97 -18.335 6.325 9.658 776 HH22 ARG 97 2HH2 ARG 97 -18.548 4.610 9.752 777 H LYS 98 H LYS 98 -12.721 7.887 5.232 778 HA LYS 98 HA LYS 98 -12.988 10.128 3.567 779 HB2 LYS 98 1HB LYS 98 -10.694 9.244 5.324 780 HB3 LYS 98 2HB LYS 98 -10.776 10.816 4.541 781 HG2 LYS 98 1HG LYS 98 -12.449 11.569 5.915 782 HG3 LYS 98 2HG LYS 98 -13.046 9.944 6.260 783 HD2 LYS 98 1HD LYS 98 -11.246 9.506 7.744 784 HD3 LYS 98 2HD LYS 98 -10.373 10.947 7.219 785 HE2 LYS 98 1HE LYS 98 -11.390 11.330 9.384 786 HE3 LYS 98 2HE LYS 98 -12.155 12.349 8.166 787 HZ1 LYS 98 3HZ LYS 98 -14.097 11.197 8.285 788 HZ2 LYS 98 1HZ LYS 98 -13.564 10.970 9.875 789 HZ3 LYS 98 2HZ LYS 98 -13.359 9.742 8.731 790 H ILE 99 H ILE 99 -10.416 7.657 3.622 791 HA ILE 99 HA ILE 99 -8.889 8.527 1.513 792 HB ILE 99 HB ILE 99 -9.543 5.656 2.186 793 HG12 ILE 99 1HG1 ILE 99 -7.166 7.319 3.035 794 HG13 ILE 99 2HG1 ILE 99 -8.595 7.082 4.037 795 HG21 ILE 99 1HG2 ILE 99 -7.027 6.582 0.860 796 HG22 ILE 99 2HG2 ILE 99 -7.744 4.972 0.894 797 HG23 ILE 99 3HG2 ILE 99 -8.470 6.240 -0.094 798 HD11 ILE 99 3HD1 ILE 99 -6.314 5.377 3.660 799 HD12 ILE 99 1HD1 ILE 99 -7.604 5.284 4.858 800 HD13 ILE 99 2HD1 ILE 99 -7.809 4.522 3.281 801 H ALA 100 H ALA 100 -11.407 6.011 1.220 802 HA ALA 100 HA ALA 100 -11.465 5.843 -1.535 803 HB1 ALA 100 3HB ALA 100 -12.624 4.232 -0.198 804 HB2 ALA 100 1HB ALA 100 -13.707 5.468 0.443 805 HB3 ALA 100 2HB ALA 100 -13.798 5.011 -1.259 806 H GLN 101 H GLN 101 -12.709 8.333 0.520 807 HA GLN 101 HA GLN 101 -14.321 9.494 -1.613 808 HB2 GLN 101 1HB GLN 101 -13.930 10.153 1.296 809 HB3 GLN 101 2HB GLN 101 -14.744 11.267 0.206 810 HG2 GLN 101 1HG GLN 101 -15.671 8.448 0.285 811 HG3 GLN 101 2HG GLN 101 -16.074 9.505 1.637 812 HE21 GLN 101 1HE2 GLN 101 -17.878 8.299 -0.237 813 HE22 GLN 101 2HE2 GLN 101 -18.696 9.585 -1.051 814 H CYS 102 H CYS 102 -11.437 9.331 -1.914 815 HA CYS 102 HA CYS 102 -9.565 10.641 -2.247 816 HB2 CYS 102 1HB CYS 102 -11.240 10.903 -4.217 817 HB3 CYS 102 2HB CYS 102 -11.483 12.527 -3.585 818 HG CYS 102 HG CYS 102 -9.522 12.012 -5.836 819 H ALA 103 H ALA 103 -10.450 11.155 0.299 820 HA ALA 103 HA ALA 103 -10.826 13.966 0.735 821 HB1 ALA 103 3HB ALA 103 -11.698 12.172 2.243 822 HB2 ALA 103 1HB ALA 103 -10.038 11.887 2.766 823 HB3 ALA 103 2HB ALA 103 -10.800 13.449 3.064 824 HA PRO 104 HA PRO 104 -6.616 15.256 0.687 825 HB2 PRO 104 1HB PRO 104 -6.838 17.488 2.217 826 HB3 PRO 104 2HB PRO 104 -7.433 17.400 0.555 827 HG2 PRO 104 1HG PRO 104 -8.944 17.122 3.125 828 HG3 PRO 104 2HG PRO 104 -9.390 18.007 1.654 829 HD2 PRO 104 1HD PRO 104 -10.394 15.563 2.245 830 HD3 PRO 104 2HD PRO 104 -10.115 16.102 0.577 831 H GLY 105 H GLY 105 -4.757 15.310 1.975 832 HA2 GLY 105 1HA GLY 105 -3.493 14.315 3.655 833 HA3 GLY 105 2HA GLY 105 -4.345 15.521 4.608 834 H VAL 106 H VAL 106 -5.097 12.341 3.171 835 HA VAL 106 HA VAL 106 -6.058 11.484 5.818 836 HB VAL 106 HB VAL 106 -7.427 10.916 3.184 837 HG11 VAL 106 1HG1 VAL 106 -8.541 10.189 5.858 838 HG12 VAL 106 2HG1 VAL 106 -8.882 9.497 4.271 839 HG13 VAL 106 3HG1 VAL 106 -7.361 9.130 5.085 840 HG21 VAL 106 3HG2 VAL 106 -8.385 12.903 3.569 841 HG22 VAL 106 1HG2 VAL 106 -9.259 12.080 4.861 842 HG23 VAL 106 2HG2 VAL 106 -7.783 12.973 5.225 843 H VAL 107 H VAL 107 -5.518 10.153 2.548 844 HA VAL 107 HA VAL 107 -4.856 7.566 3.399 845 HB VAL 107 HB VAL 107 -5.479 8.094 1.080 846 HG11 VAL 107 1HG1 VAL 107 -3.954 10.209 1.140 847 HG12 VAL 107 2HG1 VAL 107 -2.717 9.097 0.552 848 HG13 VAL 107 3HG1 VAL 107 -4.198 9.340 -0.375 849 HG21 VAL 107 3HG2 VAL 107 -4.138 6.051 1.724 850 HG22 VAL 107 1HG2 VAL 107 -4.044 6.530 0.030 851 HG23 VAL 107 2HG2 VAL 107 -2.715 6.904 1.127 852 H GLU 108 H GLU 108 -2.860 10.419 2.844 853 HA GLU 108 HA GLU 108 -0.340 9.228 2.981 854 HB2 GLU 108 1HB GLU 108 -1.256 11.985 3.804 855 HB3 GLU 108 2HB GLU 108 0.433 11.499 3.754 856 HG2 GLU 108 1HG GLU 108 -0.027 12.663 1.746 857 HG3 GLU 108 2HG GLU 108 0.122 10.954 1.337 858 H LEU 109 H LEU 109 -2.499 10.341 5.538 859 HA LEU 109 HA LEU 109 -0.808 10.207 7.723 860 HB2 LEU 109 1HB LEU 109 -3.731 9.505 7.529 861 HB3 LEU 109 2HB LEU 109 -2.858 9.703 9.047 862 HG LEU 109 HG LEU 109 -3.089 11.909 7.012 863 HD11 LEU 109 1HD1 LEU 109 -5.309 10.950 7.966 864 HD12 LEU 109 2HD1 LEU 109 -5.035 12.691 7.968 865 HD13 LEU 109 3HD1 LEU 109 -4.809 11.762 9.449 866 HD21 LEU 109 3HD2 LEU 109 -2.586 13.319 8.953 867 HD22 LEU 109 1HD2 LEU 109 -1.306 12.145 8.649 868 HD23 LEU 109 2HD2 LEU 109 -2.453 11.877 9.962 869 H VAL 110 H VAL 110 -1.875 7.677 5.715 870 HA VAL 110 HA VAL 110 -1.205 5.644 7.729 871 HB VAL 110 HB VAL 110 -2.555 5.265 5.053 872 HG11 VAL 110 1HG1 VAL 110 -1.906 3.393 7.312 873 HG12 VAL 110 2HG1 VAL 110 -3.163 3.039 6.126 874 HG13 VAL 110 3HG1 VAL 110 -1.490 3.242 5.605 875 HG21 VAL 110 3HG2 VAL 110 -4.621 5.136 6.176 876 HG22 VAL 110 1HG2 VAL 110 -3.847 5.075 7.760 877 HG23 VAL 110 2HG2 VAL 110 -3.828 6.571 6.826 878 H LEU 111 H LEU 111 -0.234 7.003 4.680 879 HA LEU 111 HA LEU 111 1.500 4.922 3.851 880 HB2 LEU 111 1HB LEU 111 1.471 7.864 3.205 881 HB3 LEU 111 2HB LEU 111 2.520 6.690 2.414 882 HG LEU 111 HG LEU 111 -0.496 6.683 2.319 883 HD11 LEU 111 1HD1 LEU 111 -0.213 8.293 0.802 884 HD12 LEU 111 2HD1 LEU 111 0.458 7.032 -0.232 885 HD13 LEU 111 3HD1 LEU 111 1.532 8.044 0.733 886 HD21 LEU 111 3HD2 LEU 111 -0.083 4.497 1.910 887 HD22 LEU 111 1HD2 LEU 111 1.592 4.787 1.439 888 HD23 LEU 111 2HD2 LEU 111 0.287 5.108 0.297 889 H ILE 112 H ILE 112 2.006 7.884 5.724 890 HA ILE 112 HA ILE 112 4.741 7.928 5.938 891 HB ILE 112 HB ILE 112 2.536 8.795 7.721 892 HG12 ILE 112 1HG1 ILE 112 5.026 10.289 6.924 893 HG13 ILE 112 2HG1 ILE 112 3.674 10.100 5.812 894 HG21 ILE 112 1HG2 ILE 112 3.893 7.844 9.405 895 HG22 ILE 112 2HG2 ILE 112 5.372 8.436 8.650 896 HG23 ILE 112 3HG2 ILE 112 4.254 9.570 9.407 897 HD11 ILE 112 3HD1 ILE 112 3.682 11.500 8.469 898 HD12 ILE 112 1HD1 ILE 112 3.454 12.209 6.871 899 HD13 ILE 112 2HD1 ILE 112 2.218 11.150 7.551 900 HA PRO 113 HA PRO 113 4.572 4.922 9.718 901 HB2 PRO 113 1HB PRO 113 2.224 3.642 10.187 902 HB3 PRO 113 2HB PRO 113 2.623 5.209 10.901 903 HG2 PRO 113 1HG PRO 113 0.929 4.592 8.511 904 HG3 PRO 113 2HG PRO 113 0.635 5.749 9.823 905 HD2 PRO 113 1HD PRO 113 1.584 6.503 7.402 906 HD3 PRO 113 2HD PRO 113 2.029 7.338 8.904 907 H LEU 114 H LEU 114 2.559 4.085 6.940 908 HA LEU 114 HA LEU 114 2.670 1.385 6.823 909 HB2 LEU 114 1HB LEU 114 1.672 2.919 5.125 910 HB3 LEU 114 2HB LEU 114 3.289 3.160 4.469 911 HG LEU 114 HG LEU 114 3.317 0.619 4.117 912 HD11 LEU 114 1HD1 LEU 114 0.427 0.589 3.802 913 HD12 LEU 114 2HD1 LEU 114 0.933 0.750 5.483 914 HD13 LEU 114 3HD1 LEU 114 1.503 -0.611 4.518 915 HD21 LEU 114 3HD2 LEU 114 2.049 2.755 2.583 916 HD22 LEU 114 1HD2 LEU 114 1.490 1.141 2.144 917 HD23 LEU 114 2HD2 LEU 114 3.209 1.527 2.076 918 H ARG 115 H ARG 115 5.283 3.583 5.853 919 HA ARG 115 HA ARG 115 7.075 1.547 5.040 920 HB2 ARG 115 1HB ARG 115 7.292 4.456 5.659 921 HB3 ARG 115 2HB ARG 115 8.774 3.512 5.592 922 HG2 ARG 115 1HG ARG 115 7.774 2.695 3.307 923 HG3 ARG 115 2HG ARG 115 6.864 4.203 3.422 924 HD2 ARG 115 1HD ARG 115 9.791 4.288 3.930 925 HD3 ARG 115 2HD ARG 115 9.245 4.084 2.266 926 HE ARG 115 HE ARG 115 7.782 6.183 3.157 927 HH11 ARG 115 1HH1 ARG 115 11.189 5.467 3.122 928 HH12 ARG 115 2HH1 ARG 115 11.669 7.128 3.000 929 HH21 ARG 115 1HH2 ARG 115 8.401 8.372 2.995 930 HH22 ARG 115 2HH2 ARG 115 10.083 8.779 2.929 931 H GLN 116 H GLN 116 7.095 3.582 7.973 932 HA GLN 116 HA GLN 116 9.128 2.631 9.406 933 HB2 GLN 116 1HB GLN 116 6.343 3.328 10.233 934 HB3 GLN 116 2HB GLN 116 7.438 2.657 11.435 935 HG2 GLN 116 1HG GLN 116 9.063 4.500 10.609 936 HG3 GLN 116 2HG GLN 116 7.602 5.248 9.965 937 HE21 GLN 116 1HE2 GLN 116 5.764 5.344 11.596 938 HE22 GLN 116 2HE2 GLN 116 6.189 5.854 13.191 939 H ARG 117 H ARG 117 6.120 0.877 8.851 940 HA ARG 117 HA ARG 117 6.877 -1.343 10.513 941 HB2 ARG 117 1HB ARG 117 4.631 -0.899 8.551 942 HB3 ARG 117 2HB ARG 117 4.869 -2.431 9.382 943 HG2 ARG 117 1HG ARG 117 4.723 0.058 11.002 944 HG3 ARG 117 2HG ARG 117 3.236 -0.605 10.321 945 HD2 ARG 117 1HD ARG 117 3.288 -1.692 12.336 946 HD3 ARG 117 2HD ARG 117 4.157 -2.849 11.328 947 HE ARG 117 HE ARG 117 6.071 -1.166 12.379 948 HH11 ARG 117 1HH1 ARG 117 3.665 -3.360 13.610 949 HH12 ARG 117 2HH1 ARG 117 4.568 -3.758 15.034 950 HH21 ARG 117 1HH2 ARG 117 7.270 -1.682 14.250 951 HH22 ARG 117 2HH2 ARG 117 6.618 -2.802 15.397 952 H LEU 118 H LEU 118 6.511 -0.866 7.000 953 HA LEU 118 HA LEU 118 7.317 -3.353 6.127 954 HB2 LEU 118 1HB LEU 118 7.827 -0.655 4.889 955 HB3 LEU 118 2HB LEU 118 8.080 -2.189 4.060 956 HG LEU 118 HG LEU 118 5.409 -1.286 5.124 957 HD11 LEU 118 1HD1 LEU 118 4.851 -0.704 2.826 958 HD12 LEU 118 2HD1 LEU 118 6.499 -1.076 2.321 959 HD13 LEU 118 3HD1 LEU 118 6.196 0.273 3.416 960 HD21 LEU 118 3HD2 LEU 118 6.195 -3.784 4.479 961 HD22 LEU 118 1HD2 LEU 118 5.653 -3.205 2.904 962 HD23 LEU 118 2HD2 LEU 118 4.546 -3.188 4.277 963 H GLU 119 H GLU 119 9.353 -0.529 6.839 964 HA GLU 119 HA GLU 119 11.812 -1.638 6.125 965 HB2 GLU 119 1HB GLU 119 11.153 0.421 8.235 966 HB3 GLU 119 2HB GLU 119 12.786 0.044 7.704 967 HG2 GLU 119 1HG GLU 119 10.644 0.958 5.812 968 HG3 GLU 119 2HG GLU 119 11.694 2.078 6.678 969 H GLU 120 H GLU 120 10.055 -1.743 9.194 970 HA GLU 120 HA GLU 120 11.957 -2.882 10.831 971 HB2 GLU 120 1HB GLU 120 9.532 -2.141 11.349 972 HB3 GLU 120 2HB GLU 120 9.092 -3.787 10.916 973 HG2 GLU 120 1HG GLU 120 9.335 -4.002 13.169 974 HG3 GLU 120 2HG GLU 120 10.964 -4.412 12.636 975 H ARG 121 H ARG 121 9.542 -4.631 8.873 976 HA ARG 121 HA ARG 121 10.611 -7.194 9.422 977 HB2 ARG 121 1HB ARG 121 8.650 -6.088 7.457 978 HB3 ARG 121 2HB ARG 121 9.274 -7.713 7.206 979 HG2 ARG 121 1HG ARG 121 8.528 -8.277 9.518 980 HG3 ARG 121 2HG ARG 121 7.754 -6.692 9.592 981 HD2 ARG 121 1HD ARG 121 6.147 -7.255 8.045 982 HD3 ARG 121 2HD ARG 121 7.156 -8.488 7.290 983 HE ARG 121 HE ARG 121 6.268 -10.017 8.730 984 HH11 ARG 121 1HH1 ARG 121 5.766 -6.832 10.041 985 HH12 ARG 121 2HH1 ARG 121 4.800 -7.387 11.367 986 HH21 ARG 121 1HH2 ARG 121 4.997 -10.762 10.472 987 HH22 ARG 121 2HH2 ARG 121 4.364 -9.623 11.612 988 H GLN 122 H GLN 122 10.850 -5.098 6.552 989 HA GLN 122 HA GLN 122 12.382 -6.646 4.906 990 HB2 GLN 122 1HB GLN 122 11.520 -4.408 4.322 991 HB3 GLN 122 2HB GLN 122 12.737 -3.679 5.361 992 HG2 GLN 122 1HG GLN 122 13.456 -5.453 3.052 993 HG3 GLN 122 2HG GLN 122 13.211 -3.716 2.874 994 HE21 GLN 122 1HE2 GLN 122 14.586 -2.298 4.104 995 HE22 GLN 122 2HE2 GLN 122 16.183 -2.804 4.524 996 H ARG 123 H ARG 123 13.872 -4.117 6.929 997 HA ARG 123 HA ARG 123 16.484 -4.949 6.700 998 HB2 ARG 123 1HB ARG 123 16.991 -3.551 8.511 999 HB3 ARG 123 2HB ARG 123 15.533 -2.846 7.826 1000 HG2 ARG 123 1HG ARG 123 14.369 -4.406 9.614 1001 HG3 ARG 123 2HG ARG 123 15.935 -4.242 10.411 1002 HD2 ARG 123 1HD ARG 123 14.345 -1.887 9.422 1003 HD3 ARG 123 2HD ARG 123 14.167 -2.546 11.047 1004 HE ARG 123 HE ARG 123 16.238 -0.847 10.132 1005 HH11 ARG 123 1HH1 ARG 123 15.643 -3.576 12.209 1006 HH12 ARG 123 2HH1 ARG 123 16.969 -3.226 13.267 1007 HH21 ARG 123 1HH2 ARG 123 17.988 -0.375 11.517 1008 HH22 ARG 123 2HH2 ARG 123 18.302 -1.405 12.873 1009 H ARG 124 H ARG 124 17.879 -5.880 8.465 1010 HA ARG 124 HA ARG 124 16.540 -7.938 10.053 1011 HB2 ARG 124 1HB ARG 124 18.835 -8.537 8.178 1012 HB3 ARG 124 2HB ARG 124 18.069 -9.678 9.274 1013 HG2 ARG 124 1HG ARG 124 16.199 -9.891 7.973 1014 HG3 ARG 124 2HG ARG 124 16.385 -8.289 7.255 1015 HD2 ARG 124 1HD ARG 124 18.429 -9.179 6.083 1016 HD3 ARG 124 2HD ARG 124 17.958 -10.783 6.643 1017 HE ARG 124 HE ARG 124 15.773 -9.616 5.336 1018 HH11 ARG 124 1HH1 ARG 124 18.954 -10.841 4.628 1019 HH12 ARG 124 2HH1 ARG 124 18.559 -11.301 3.005 1020 HH21 ARG 124 1HH2 ARG 124 15.240 -10.218 3.201 1021 HH22 ARG 124 2HH2 ARG 124 16.446 -10.945 2.195 1022 H ARG 125 H ARG 125 17.321 -7.961 12.052 1023 HA ARG 125 HA ARG 125 19.840 -6.579 12.595 1024 HB2 ARG 125 1HB ARG 125 17.844 -5.916 13.877 1025 HB3 ARG 125 2HB ARG 125 17.701 -7.556 14.496 1026 HG2 ARG 125 1HG ARG 125 18.725 -6.398 16.225 1027 HG3 ARG 125 2HG ARG 125 20.069 -7.205 15.414 1028 HD2 ARG 125 1HD ARG 125 20.610 -5.160 14.224 1029 HD3 ARG 125 2HD ARG 125 19.220 -4.349 14.945 1030 HE ARG 125 HE ARG 125 21.775 -4.813 16.162 1031 HH11 ARG 125 1HH1 ARG 125 18.384 -4.311 16.765 1032 HH12 ARG 125 2HH1 ARG 125 18.626 -3.692 18.365 1033 HH21 ARG 125 1HH2 ARG 125 22.108 -4.000 18.268 1034 HH22 ARG 125 2HH2 ARG 125 20.745 -3.515 19.218 1035 H LYS 126 H LYS 126 21.651 -7.648 13.015 1036 HA LYS 126 HA LYS 126 21.573 -10.537 13.305 1037 HB2 LYS 126 1HB LYS 126 23.658 -8.509 12.669 1038 HB3 LYS 126 2HB LYS 126 24.189 -10.016 13.404 1039 HG2 LYS 126 1HG LYS 126 22.645 -11.036 11.497 1040 HG3 LYS 126 2HG LYS 126 23.058 -9.507 10.717 1041 HD2 LYS 126 1HD LYS 126 24.815 -10.769 9.998 1042 HD3 LYS 126 2HD LYS 126 25.493 -10.189 11.522 1043 HE2 LYS 126 1HE LYS 126 24.808 -12.253 12.623 1044 HE3 LYS 126 2HE LYS 126 24.084 -12.827 11.122 1045 HZ1 LYS 126 3HZ LYS 126 26.189 -13.837 11.283 1046 HZ2 LYS 126 1HZ LYS 126 26.956 -12.388 11.697 1047 HZ3 LYS 126 2HZ LYS 126 26.365 -12.613 10.129 1048 H GLN 127 H GLN 127 23.237 -11.482 14.898 1049 HA GLN 127 HA GLN 127 23.393 -12.009 17.142 1050 HB2 GLN 127 1HB GLN 127 24.750 -9.378 16.695 1051 HB3 GLN 127 2HB GLN 127 24.701 -10.061 18.315 1052 HG2 GLN 127 1HG GLN 127 26.014 -11.874 17.735 1053 HG3 GLN 127 2HG GLN 127 25.658 -11.708 16.016 1054 HE21 GLN 127 1HE2 GLN 127 28.073 -11.500 18.086 1055 HE22 GLN 127 2HE2 GLN 127 29.019 -10.242 17.374 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.579 27.776 6.491 2 HA2 GLY 1 1HA GLY 1 4.022 26.524 5.425 3 HA3 GLY 1 2HA GLY 1 2.827 27.390 4.471 4 H SER 2 H SER 2 5.718 27.616 6.288 5 HA SER 2 HA SER 2 6.374 30.152 5.246 6 HB2 SER 2 1HB SER 2 4.626 30.618 7.151 7 HB3 SER 2 2HB SER 2 6.002 30.328 8.216 8 HG SER 2 HG SER 2 6.142 32.133 6.045 9 H SER 3 H SER 3 8.420 31.019 6.253 10 HA SER 3 HA SER 3 10.007 28.870 7.485 11 HB2 SER 3 1HB SER 3 10.436 29.064 5.008 12 HB3 SER 3 2HB SER 3 11.042 30.694 5.305 13 HG SER 3 HG SER 3 12.728 29.872 6.433 14 H GLY 4 H GLY 4 10.971 29.502 9.295 15 HA2 GLY 4 1HA GLY 4 12.583 31.571 9.836 16 HA3 GLY 4 2HA GLY 4 11.002 32.325 9.985 17 H SER 5 H SER 5 12.078 29.072 10.917 18 HA SER 5 HA SER 5 11.108 29.633 13.632 19 HB2 SER 5 1HB SER 5 10.071 27.722 12.430 20 HB3 SER 5 2HB SER 5 11.656 26.954 12.330 21 HG SER 5 HG SER 5 10.003 27.360 14.557 22 H SER 6 H SER 6 12.398 29.410 15.397 23 HA SER 6 HA SER 6 15.245 29.398 14.938 24 HB2 SER 6 1HB SER 6 15.406 29.852 17.358 25 HB3 SER 6 2HB SER 6 14.272 30.948 16.570 26 HG SER 6 HG SER 6 12.597 29.896 17.482 27 H GLY 7 H GLY 7 12.927 27.362 16.708 28 HA2 GLY 7 1HA GLY 7 13.784 24.899 16.118 29 HA3 GLY 7 2HA GLY 7 14.997 25.404 17.286 30 H MET 8 H MET 8 11.671 24.501 16.801 31 HA MET 8 HA MET 8 11.449 23.770 19.585 32 HB2 MET 8 1HB MET 8 10.762 26.205 19.442 33 HB3 MET 8 2HB MET 8 9.405 25.681 18.454 34 HG2 MET 8 1HG MET 8 8.893 24.097 20.435 35 HG3 MET 8 2HG MET 8 9.938 25.183 21.348 36 HE1 MET 8 3HE MET 8 7.220 24.821 22.486 37 HE2 MET 8 1HE MET 8 5.883 25.799 21.880 38 HE3 MET 8 2HE MET 8 6.433 24.394 20.966 39 H ALA 9 H ALA 9 9.640 22.396 20.015 40 HA ALA 9 HA ALA 9 9.011 20.652 17.878 41 HB1 ALA 9 3HB ALA 9 8.705 20.680 20.711 42 HB2 ALA 9 1HB ALA 9 7.165 20.236 19.975 43 HB3 ALA 9 2HB ALA 9 8.621 19.313 19.601 44 H SER 10 H SER 10 7.554 20.914 16.332 45 HA SER 10 HA SER 10 5.009 22.216 16.953 46 HB2 SER 10 1HB SER 10 6.695 22.981 14.557 47 HB3 SER 10 2HB SER 10 5.110 23.633 14.972 48 HG SER 10 HG SER 10 6.636 25.063 15.715 49 H SER 11 H SER 11 3.437 21.953 15.102 50 HA SER 11 HA SER 11 3.248 19.211 14.432 51 HB2 SER 11 1HB SER 11 1.208 19.790 13.298 52 HB3 SER 11 2HB SER 11 1.307 20.781 14.754 53 HG SER 11 HG SER 11 1.879 21.560 12.088 54 H VAL 12 H VAL 12 3.285 18.208 12.379 55 HA VAL 12 HA VAL 12 5.465 18.678 10.787 56 HB VAL 12 HB VAL 12 2.846 17.435 9.937 57 HG11 VAL 12 1HG1 VAL 12 3.813 17.640 7.899 58 HG12 VAL 12 2HG1 VAL 12 5.443 17.776 8.563 59 HG13 VAL 12 3HG1 VAL 12 4.674 16.194 8.427 60 HG21 VAL 12 3HG2 VAL 12 5.360 16.037 10.821 61 HG22 VAL 12 1HG2 VAL 12 4.058 16.459 11.934 62 HG23 VAL 12 2HG2 VAL 12 3.750 15.352 10.596 63 H ASP 13 H ASP 13 5.961 19.922 9.063 64 HA ASP 13 HA ASP 13 4.047 22.008 8.342 65 HB2 ASP 13 1HB ASP 13 6.420 22.551 9.021 66 HB3 ASP 13 2HB ASP 13 6.945 21.800 7.517 67 H GLU 14 H GLU 14 4.300 22.744 5.941 68 HA GLU 14 HA GLU 14 3.231 20.703 4.327 69 HB2 GLU 14 1HB GLU 14 3.410 22.327 2.486 70 HB3 GLU 14 2HB GLU 14 2.717 23.048 3.932 71 HG2 GLU 14 1HG GLU 14 5.102 23.839 4.438 72 HG3 GLU 14 2HG GLU 14 5.436 23.454 2.751 73 H GLU 15 H GLU 15 6.454 22.189 4.398 74 HA GLU 15 HA GLU 15 7.582 20.884 2.224 75 HB2 GLU 15 1HB GLU 15 9.754 21.298 3.300 76 HB3 GLU 15 2HB GLU 15 8.709 22.708 3.377 77 HG2 GLU 15 1HG GLU 15 8.123 22.110 5.695 78 HG3 GLU 15 2HG GLU 15 9.258 20.764 5.606 79 H ALA 16 H ALA 16 7.458 19.854 5.621 80 HA ALA 16 HA ALA 16 8.947 17.557 5.536 81 HB1 ALA 16 3HB ALA 16 6.873 18.625 7.229 82 HB2 ALA 16 1HB ALA 16 6.751 16.870 7.109 83 HB3 ALA 16 2HB ALA 16 8.256 17.615 7.647 84 H LEU 17 H LEU 17 5.556 17.946 4.575 85 HA LEU 17 HA LEU 17 5.017 15.251 4.022 86 HB2 LEU 17 1HB LEU 17 3.858 17.716 2.731 87 HB3 LEU 17 2HB LEU 17 3.174 16.094 2.639 88 HG LEU 17 HG LEU 17 3.562 17.401 5.301 89 HD11 LEU 17 1HD1 LEU 17 1.806 18.794 5.117 90 HD12 LEU 17 2HD1 LEU 17 0.924 17.714 4.038 91 HD13 LEU 17 3HD1 LEU 17 2.202 18.746 3.399 92 HD21 LEU 17 3HD2 LEU 17 1.362 15.588 4.358 93 HD22 LEU 17 1HD2 LEU 17 1.883 15.924 6.009 94 HD23 LEU 17 2HD2 LEU 17 2.907 14.965 4.940 95 H HIS 18 H HIS 18 6.343 17.827 1.998 96 HA HIS 18 HA HIS 18 6.307 16.729 -0.491 97 HB2 HIS 18 1HB HIS 18 7.353 18.943 0.305 98 HB3 HIS 18 2HB HIS 18 8.820 18.006 0.567 99 HD1 HIS 18 1HD HIS 18 9.428 19.988 -1.364 100 HD2 HIS 18 2HD HIS 18 7.354 16.584 -2.535 101 HE1 HIS 18 1HE HIS 18 9.754 19.826 -3.853 102 HE2 HIS 18 2HE HIS 18 8.419 17.807 -4.551 103 H GLN 19 H GLN 19 8.711 16.053 2.038 104 HA GLN 19 HA GLN 19 10.408 14.377 0.681 105 HB2 GLN 19 1HB GLN 19 9.483 14.397 3.538 106 HB3 GLN 19 2HB GLN 19 10.618 13.180 2.970 107 HG2 GLN 19 1HG GLN 19 11.029 16.159 2.842 108 HG3 GLN 19 2HG GLN 19 11.749 15.067 4.024 109 HE21 GLN 19 1HE2 GLN 19 12.787 16.854 1.783 110 HE22 GLN 19 2HE2 GLN 19 13.884 15.834 0.923 111 H LEU 20 H LEU 20 7.310 13.567 2.186 112 HA LEU 20 HA LEU 20 7.447 10.784 1.679 113 HB2 LEU 20 1HB LEU 20 5.910 11.314 3.303 114 HB3 LEU 20 2HB LEU 20 5.299 12.711 2.418 115 HG LEU 20 HG LEU 20 4.279 11.004 0.801 116 HD11 LEU 20 1HD1 LEU 20 5.366 9.004 1.380 117 HD12 LEU 20 2HD1 LEU 20 3.727 8.839 2.008 118 HD13 LEU 20 3HD1 LEU 20 5.053 9.234 3.101 119 HD21 LEU 20 3HD2 LEU 20 2.696 10.476 3.078 120 HD22 LEU 20 1HD2 LEU 20 2.455 11.712 1.843 121 HD23 LEU 20 2HD2 LEU 20 3.393 12.083 3.289 122 H TYR 21 H TYR 21 6.402 13.526 -0.212 123 HA TYR 21 HA TYR 21 4.988 12.056 -2.194 124 HB2 TYR 21 1HB TYR 21 6.061 14.839 -1.975 125 HB3 TYR 21 2HB TYR 21 5.550 14.245 -3.551 126 HD1 TYR 21 1HD TYR 21 4.322 14.509 -0.033 127 HD2 TYR 21 2HD TYR 21 3.333 14.492 -4.172 128 HE1 TYR 21 1HE TYR 21 1.989 15.050 0.528 129 HE2 TYR 21 2HE TYR 21 0.998 15.034 -3.622 130 HH TYR 21 HH TYR 21 -0.122 16.303 -1.393 131 H LEU 22 H LEU 22 8.330 12.756 -1.636 132 HA LEU 22 HA LEU 22 9.175 12.156 -4.327 133 HB2 LEU 22 1HB LEU 22 10.648 12.626 -1.749 134 HB3 LEU 22 2HB LEU 22 11.470 12.179 -3.243 135 HG LEU 22 HG LEU 22 9.823 14.674 -2.830 136 HD11 LEU 22 1HD1 LEU 22 11.964 14.612 -1.571 137 HD12 LEU 22 2HD1 LEU 22 11.899 15.868 -2.806 138 HD13 LEU 22 3HD1 LEU 22 12.809 14.387 -3.102 139 HD21 LEU 22 3HD2 LEU 22 9.714 14.674 -5.057 140 HD22 LEU 22 1HD2 LEU 22 10.859 13.339 -5.193 141 HD23 LEU 22 2HD2 LEU 22 11.449 14.994 -5.038 142 H TRP 23 H TRP 23 9.331 10.542 -1.168 143 HA TRP 23 HA TRP 23 10.747 8.285 -1.795 144 HB2 TRP 23 1HB TRP 23 10.128 8.495 0.452 145 HB3 TRP 23 2HB TRP 23 8.428 8.739 0.060 146 HD1 TRP 23 HD TRP 23 11.059 5.902 0.109 147 HE1 TRP 23 1HE TRP 23 9.823 3.677 0.492 148 HE3 TRP 23 3HE TRP 23 6.243 7.614 -0.025 149 HZ2 TRP 23 2HZ TRP 23 7.160 2.767 0.708 150 HZ3 TRP 23 3HZ TRP 23 4.409 6.001 0.278 151 HH2 TRP 23 HH TRP 23 4.860 3.628 0.636 152 H VAL 24 H VAL 24 7.292 8.861 -2.348 153 HA VAL 24 HA VAL 24 6.605 6.334 -3.313 154 HB VAL 24 HB VAL 24 5.446 8.979 -4.202 155 HG11 VAL 24 1HG1 VAL 24 3.590 6.794 -4.036 156 HG12 VAL 24 2HG1 VAL 24 3.989 7.821 -5.415 157 HG13 VAL 24 3HG1 VAL 24 4.938 6.370 -5.090 158 HG21 VAL 24 3HG2 VAL 24 5.540 8.499 -1.692 159 HG22 VAL 24 1HG2 VAL 24 3.967 8.895 -2.385 160 HG23 VAL 24 2HG2 VAL 24 4.372 7.218 -2.018 161 H ASP 25 H ASP 25 8.330 8.942 -4.817 162 HA ASP 25 HA ASP 25 7.979 8.086 -7.515 163 HB2 ASP 25 1HB ASP 25 8.678 10.409 -6.697 164 HB3 ASP 25 2HB ASP 25 10.290 9.729 -6.490 165 H ASN 26 H ASN 26 10.589 7.695 -5.136 166 HA ASN 26 HA ASN 26 12.434 6.355 -6.696 167 HB2 ASN 26 1HB ASN 26 13.524 5.841 -4.735 168 HB3 ASN 26 2HB ASN 26 12.458 7.119 -4.159 169 HD21 ASN 26 1HD2 ASN 26 11.606 6.659 -2.278 170 HD22 ASN 26 2HD2 ASN 26 11.106 5.098 -1.733 171 H ILE 27 H ILE 27 9.675 5.033 -4.910 172 HA ILE 27 HA ILE 27 10.114 2.329 -5.263 173 HB ILE 27 HB ILE 27 7.464 3.779 -5.313 174 HG12 ILE 27 1HG1 ILE 27 8.825 2.362 -3.017 175 HG13 ILE 27 2HG1 ILE 27 8.935 4.097 -3.288 176 HG21 ILE 27 1HG2 ILE 27 8.147 0.865 -5.039 177 HG22 ILE 27 2HG2 ILE 27 6.610 1.536 -4.496 178 HG23 ILE 27 3HG2 ILE 27 7.061 1.631 -6.198 179 HD11 ILE 27 3HD1 ILE 27 6.198 3.110 -3.270 180 HD12 ILE 27 1HD1 ILE 27 7.059 2.828 -1.758 181 HD13 ILE 27 2HD1 ILE 27 6.926 4.464 -2.405 182 HA PRO 28 HA PRO 28 9.922 1.888 -9.677 183 HB2 PRO 28 1HB PRO 28 10.020 -0.825 -9.715 184 HB3 PRO 28 2HB PRO 28 11.439 0.183 -9.410 185 HG2 PRO 28 1HG PRO 28 9.680 -1.252 -7.459 186 HG3 PRO 28 2HG PRO 28 11.448 -1.124 -7.486 187 HD2 PRO 28 1HD PRO 28 9.902 0.393 -5.861 188 HD3 PRO 28 2HD PRO 28 11.435 0.977 -6.538 189 H LEU 29 H LEU 29 7.873 2.528 -10.262 190 HA LEU 29 HA LEU 29 5.778 0.462 -10.095 191 HB2 LEU 29 1HB LEU 29 5.663 3.404 -9.641 192 HB3 LEU 29 2HB LEU 29 4.256 2.596 -10.329 193 HG LEU 29 HG LEU 29 5.507 1.720 -7.738 194 HD11 LEU 29 1HD1 LEU 29 3.235 3.024 -7.017 195 HD12 LEU 29 2HD1 LEU 29 3.844 4.064 -8.303 196 HD13 LEU 29 3HD1 LEU 29 4.861 3.699 -6.910 197 HD21 LEU 29 3HD2 LEU 29 2.643 1.422 -8.518 198 HD22 LEU 29 1HD2 LEU 29 3.628 0.427 -7.445 199 HD23 LEU 29 2HD2 LEU 29 3.847 0.322 -9.192 200 H SER 30 H SER 30 4.609 0.031 -11.919 201 HA SER 30 HA SER 30 5.744 0.962 -14.413 202 HB2 SER 30 1HB SER 30 3.535 -1.027 -13.840 203 HB3 SER 30 2HB SER 30 4.188 -0.687 -15.442 204 HG SER 30 HG SER 30 6.280 -1.296 -14.488 205 H ARG 31 H ARG 31 4.925 3.208 -13.733 206 HA ARG 31 HA ARG 31 2.721 3.863 -15.408 207 HB2 ARG 31 1HB ARG 31 1.369 4.938 -13.539 208 HB3 ARG 31 2HB ARG 31 1.297 3.185 -13.651 209 HG2 ARG 31 1HG ARG 31 2.990 3.038 -11.857 210 HG3 ARG 31 2HG ARG 31 2.935 4.796 -11.707 211 HD2 ARG 31 1HD ARG 31 1.482 3.277 -10.144 212 HD3 ARG 31 2HD ARG 31 0.835 4.788 -10.782 213 HE ARG 31 HE ARG 31 -0.730 3.571 -11.903 214 HH11 ARG 31 1HH1 ARG 31 1.956 1.489 -11.145 215 HH12 ARG 31 2HH1 ARG 31 1.187 0.059 -11.751 216 HH21 ARG 31 1HH2 ARG 31 -1.753 1.696 -12.704 217 HH22 ARG 31 2HH2 ARG 31 -0.922 0.178 -12.638 218 HA PRO 32 HA PRO 32 4.925 7.664 -15.490 219 HB2 PRO 32 1HB PRO 32 2.972 9.326 -16.383 220 HB3 PRO 32 2HB PRO 32 3.767 8.134 -17.418 221 HG2 PRO 32 1HG PRO 32 1.122 7.969 -16.026 222 HG3 PRO 32 2HG PRO 32 1.550 7.480 -17.676 223 HD2 PRO 32 1HD PRO 32 1.327 5.707 -15.642 224 HD3 PRO 32 2HD PRO 32 2.473 5.486 -16.980 225 H LYS 33 H LYS 33 4.100 10.186 -15.031 226 HA LYS 33 HA LYS 33 3.628 10.169 -12.153 227 HB2 LYS 33 1HB LYS 33 4.565 12.308 -14.065 228 HB3 LYS 33 2HB LYS 33 4.223 12.625 -12.369 229 HG2 LYS 33 1HG LYS 33 6.467 12.265 -12.261 230 HG3 LYS 33 2HG LYS 33 5.888 10.618 -12.005 231 HD2 LYS 33 1HD LYS 33 6.052 10.447 -14.598 232 HD3 LYS 33 2HD LYS 33 7.127 11.838 -14.440 233 HE2 LYS 33 1HE LYS 33 8.312 10.402 -12.639 234 HE3 LYS 33 2HE LYS 33 7.466 9.052 -13.393 235 HZ1 LYS 33 3HZ LYS 33 9.357 9.044 -14.619 236 HZ2 LYS 33 1HZ LYS 33 9.637 10.703 -14.438 237 HZ3 LYS 33 2HZ LYS 33 8.480 10.156 -15.545 238 H ARG 34 H ARG 34 1.608 10.334 -11.454 239 HA ARG 34 HA ARG 34 -0.139 12.363 -12.605 240 HB2 ARG 34 1HB ARG 34 -0.766 9.420 -12.528 241 HB3 ARG 34 2HB ARG 34 -2.041 10.630 -12.534 242 HG2 ARG 34 1HG ARG 34 -1.202 11.508 -14.654 243 HG3 ARG 34 2HG ARG 34 0.077 10.292 -14.647 244 HD2 ARG 34 1HD ARG 34 -1.701 9.537 -16.074 245 HD3 ARG 34 2HD ARG 34 -1.668 8.531 -14.627 246 HE ARG 34 HE ARG 34 -3.472 10.647 -14.235 247 HH11 ARG 34 1HH1 ARG 34 -3.121 7.729 -16.100 248 HH12 ARG 34 2HH1 ARG 34 -4.826 7.444 -16.219 249 HH21 ARG 34 1HH2 ARG 34 -5.719 10.284 -14.384 250 HH22 ARG 34 2HH2 ARG 34 -6.303 8.899 -15.244 251 H ASN 35 H ASN 35 -1.811 13.043 -11.208 252 HA ASN 35 HA ASN 35 -1.253 13.366 -8.578 253 HB2 ASN 35 1HB ASN 35 -3.859 13.278 -10.056 254 HB3 ASN 35 2HB ASN 35 -3.862 13.467 -8.304 255 HD21 ASN 35 1HD2 ASN 35 -2.158 15.162 -7.573 256 HD22 ASN 35 2HD2 ASN 35 -2.215 16.660 -8.432 257 H LEU 36 H LEU 36 -0.436 11.568 -7.540 258 HA LEU 36 HA LEU 36 -1.729 9.046 -7.478 259 HB2 LEU 36 1HB LEU 36 -0.173 8.525 -5.657 260 HB3 LEU 36 2HB LEU 36 0.635 9.237 -7.052 261 HG LEU 36 HG LEU 36 -0.139 11.019 -4.793 262 HD11 LEU 36 1HD1 LEU 36 2.401 9.414 -4.741 263 HD12 LEU 36 2HD1 LEU 36 0.956 8.943 -3.847 264 HD13 LEU 36 3HD1 LEU 36 1.749 10.478 -3.493 265 HD21 LEU 36 3HD2 LEU 36 0.910 12.376 -6.229 266 HD22 LEU 36 1HD2 LEU 36 1.636 11.034 -7.113 267 HD23 LEU 36 2HD2 LEU 36 2.393 11.629 -5.636 268 H SER 37 H SER 37 -2.046 11.954 -5.603 269 HA SER 37 HA SER 37 -3.124 11.097 -3.236 270 HB2 SER 37 1HB SER 37 -2.716 13.466 -3.769 271 HB3 SER 37 2HB SER 37 -4.080 13.449 -4.888 272 HG SER 37 HG SER 37 -5.466 13.307 -3.224 273 H ARG 38 H ARG 38 -4.806 11.503 -6.331 274 HA ARG 38 HA ARG 38 -7.289 10.501 -5.222 275 HB2 ARG 38 1HB ARG 38 -6.946 12.304 -7.094 276 HB3 ARG 38 2HB ARG 38 -6.824 10.905 -8.152 277 HG2 ARG 38 1HG ARG 38 -9.047 10.161 -7.192 278 HG3 ARG 38 2HG ARG 38 -9.162 11.773 -6.482 279 HD2 ARG 38 1HD ARG 38 -8.871 12.729 -8.759 280 HD3 ARG 38 2HD ARG 38 -8.925 11.091 -9.409 281 HE ARG 38 HE ARG 38 -11.204 11.563 -7.818 282 HH11 ARG 38 1HH1 ARG 38 -9.804 12.437 -10.884 283 HH12 ARG 38 2HH1 ARG 38 -11.333 12.720 -11.649 284 HH21 ARG 38 1HH2 ARG 38 -13.222 11.933 -8.814 285 HH22 ARG 38 2HH2 ARG 38 -13.276 12.435 -10.470 286 H ASP 39 H ASP 39 -4.999 9.483 -7.754 287 HA ASP 39 HA ASP 39 -6.102 7.126 -8.556 288 HB2 ASP 39 1HB ASP 39 -3.819 8.287 -9.164 289 HB3 ASP 39 2HB ASP 39 -3.166 7.156 -7.982 290 H PHE 40 H PHE 40 -3.870 7.486 -5.801 291 HA PHE 40 HA PHE 40 -3.772 4.904 -4.906 292 HB2 PHE 40 1HB PHE 40 -3.603 7.553 -3.565 293 HB3 PHE 40 2HB PHE 40 -3.792 6.139 -2.533 294 HD1 PHE 40 2HD PHE 40 -1.794 7.074 -5.548 295 HD2 PHE 40 1HD PHE 40 -1.848 5.295 -1.682 296 HE1 PHE 40 2HE PHE 40 0.620 6.632 -5.722 297 HE2 PHE 40 1HE PHE 40 0.566 4.850 -1.849 298 HZ PHE 40 HZ PHE 40 1.803 5.518 -3.872 299 H SER 41 H SER 41 -6.287 7.303 -4.221 300 HA SER 41 HA SER 41 -7.833 6.164 -2.349 301 HB2 SER 41 1HB SER 41 -9.645 7.369 -3.175 302 HB3 SER 41 2HB SER 41 -8.285 8.218 -3.909 303 HG SER 41 HG SER 41 -10.162 6.502 -5.080 304 H ASP 42 H ASP 42 -7.429 4.992 -5.623 305 HA ASP 42 HA ASP 42 -9.540 3.187 -5.780 306 HB2 ASP 42 1HB ASP 42 -6.777 3.163 -6.984 307 HB3 ASP 42 2HB ASP 42 -7.952 1.896 -7.327 308 H GLY 43 H GLY 43 -6.216 2.616 -4.627 309 HA2 GLY 43 1HA GLY 43 -5.821 1.301 -2.647 310 HA3 GLY 43 2HA GLY 43 -7.273 0.384 -3.020 311 H VAL 44 H VAL 44 -6.814 -0.146 -5.727 312 HA VAL 44 HA VAL 44 -5.302 -2.475 -5.617 313 HB VAL 44 HB VAL 44 -5.927 -0.814 -8.063 314 HG11 VAL 44 1HG1 VAL 44 -5.259 -2.543 -9.392 315 HG12 VAL 44 2HG1 VAL 44 -4.133 -2.762 -8.051 316 HG13 VAL 44 3HG1 VAL 44 -5.582 -3.762 -8.160 317 HG21 VAL 44 3HG2 VAL 44 -7.432 -3.165 -6.923 318 HG22 VAL 44 1HG2 VAL 44 -7.898 -1.478 -6.701 319 HG23 VAL 44 2HG2 VAL 44 -7.885 -2.185 -8.317 320 H LEU 45 H LEU 45 -4.358 0.796 -6.496 321 HA LEU 45 HA LEU 45 -1.831 0.189 -7.582 322 HB2 LEU 45 1HB LEU 45 -2.742 2.326 -8.010 323 HB3 LEU 45 2HB LEU 45 -2.963 2.655 -6.292 324 HG LEU 45 HG LEU 45 -0.613 2.974 -5.982 325 HD11 LEU 45 1HD1 LEU 45 1.047 2.503 -7.532 326 HD12 LEU 45 2HD1 LEU 45 -0.085 2.465 -8.883 327 HD13 LEU 45 3HD1 LEU 45 -0.063 1.145 -7.715 328 HD21 LEU 45 3HD2 LEU 45 -0.802 4.451 -8.504 329 HD22 LEU 45 1HD2 LEU 45 -0.579 5.037 -6.856 330 HD23 LEU 45 2HD2 LEU 45 -2.196 4.643 -7.439 331 H VAL 46 H VAL 46 -2.771 1.215 -4.305 332 HA VAL 46 HA VAL 46 -0.306 1.299 -3.094 333 HB VAL 46 HB VAL 46 -2.863 0.244 -1.876 334 HG11 VAL 46 1HG1 VAL 46 -0.778 1.612 -0.270 335 HG12 VAL 46 2HG1 VAL 46 -1.910 0.338 0.189 336 HG13 VAL 46 3HG1 VAL 46 -0.473 -0.056 -0.756 337 HG21 VAL 46 3HG2 VAL 46 -1.718 3.036 -1.907 338 HG22 VAL 46 1HG2 VAL 46 -3.105 2.480 -2.844 339 HG23 VAL 46 2HG2 VAL 46 -3.192 2.527 -1.083 340 H ALA 47 H ALA 47 -2.367 -1.542 -3.609 341 HA ALA 47 HA ALA 47 -0.901 -3.440 -2.226 342 HB1 ALA 47 3HB ALA 47 -3.002 -4.094 -3.043 343 HB2 ALA 47 1HB ALA 47 -2.591 -3.650 -4.700 344 HB3 ALA 47 2HB ALA 47 -1.840 -5.060 -3.951 345 H GLU 48 H GLU 48 -0.379 -2.129 -5.455 346 HA GLU 48 HA GLU 48 1.623 -3.960 -6.250 347 HB2 GLU 48 1HB GLU 48 1.140 -1.115 -7.152 348 HB3 GLU 48 2HB GLU 48 2.190 -2.268 -7.963 349 HG2 GLU 48 1HG GLU 48 -0.747 -2.731 -7.529 350 HG3 GLU 48 2HG GLU 48 -0.082 -1.970 -8.973 351 H VAL 49 H VAL 49 1.729 -0.864 -4.565 352 HA VAL 49 HA VAL 49 4.475 -0.401 -4.625 353 HB VAL 49 HB VAL 49 2.443 0.301 -2.508 354 HG11 VAL 49 1HG1 VAL 49 5.265 1.326 -2.795 355 HG12 VAL 49 2HG1 VAL 49 4.069 1.876 -1.620 356 HG13 VAL 49 3HG1 VAL 49 4.696 0.230 -1.537 357 HG21 VAL 49 3HG2 VAL 49 1.979 1.370 -4.598 358 HG22 VAL 49 1HG2 VAL 49 2.691 2.571 -3.520 359 HG23 VAL 49 2HG2 VAL 49 3.668 1.839 -4.793 360 H ILE 50 H ILE 50 2.543 -2.376 -2.426 361 HA ILE 50 HA ILE 50 4.600 -2.970 -0.589 362 HB ILE 50 HB ILE 50 2.171 -4.625 -1.284 363 HG12 ILE 50 1HG1 ILE 50 2.471 -2.785 1.078 364 HG13 ILE 50 2HG1 ILE 50 1.883 -2.189 -0.470 365 HG21 ILE 50 1HG2 ILE 50 4.172 -4.774 0.943 366 HG22 ILE 50 2HG2 ILE 50 2.534 -5.398 1.137 367 HG23 ILE 50 3HG2 ILE 50 3.588 -6.060 -0.112 368 HD11 ILE 50 3HD1 ILE 50 0.123 -2.808 1.197 369 HD12 ILE 50 1HD1 ILE 50 -0.024 -3.584 -0.379 370 HD13 ILE 50 2HD1 ILE 50 0.620 -4.487 0.992 371 H LYS 51 H LYS 51 3.637 -4.417 -3.635 372 HA LYS 51 HA LYS 51 4.805 -6.865 -3.628 373 HB2 LYS 51 1HB LYS 51 3.673 -5.499 -5.552 374 HB3 LYS 51 2HB LYS 51 5.325 -5.063 -5.966 375 HG2 LYS 51 1HG LYS 51 4.958 -6.904 -7.296 376 HG3 LYS 51 2HG LYS 51 5.752 -7.619 -5.891 377 HD2 LYS 51 1HD LYS 51 3.726 -8.466 -5.046 378 HD3 LYS 51 2HD LYS 51 2.759 -7.443 -6.112 379 HE2 LYS 51 1HE LYS 51 3.674 -8.707 -8.049 380 HE3 LYS 51 2HE LYS 51 4.482 -9.786 -6.913 381 HZ1 LYS 51 3HZ LYS 51 2.620 -10.936 -6.691 382 HZ2 LYS 51 1HZ LYS 51 1.881 -9.967 -7.864 383 HZ3 LYS 51 2HZ LYS 51 1.757 -9.557 -6.228 384 H PHE 52 H PHE 52 6.515 -3.844 -4.445 385 HA PHE 52 HA PHE 52 9.030 -4.762 -4.905 386 HB2 PHE 52 1HB PHE 52 8.525 -2.410 -5.080 387 HB3 PHE 52 2HB PHE 52 8.216 -2.301 -3.350 388 HD1 PHE 52 1HD PHE 52 11.014 -3.921 -5.190 389 HD2 PHE 52 2HD PHE 52 9.801 -0.842 -2.514 390 HE1 PHE 52 1HE PHE 52 13.371 -3.324 -4.813 391 HE2 PHE 52 2HE PHE 52 12.156 -0.240 -2.133 392 HZ PHE 52 HZ PHE 52 13.944 -1.481 -3.284 393 H TYR 53 H TYR 53 7.801 -3.861 -1.681 394 HA TYR 53 HA TYR 53 10.068 -4.776 -0.275 395 HB2 TYR 53 1HB TYR 53 7.237 -4.165 0.540 396 HB3 TYR 53 2HB TYR 53 8.403 -4.795 1.699 397 HD1 TYR 53 2HD TYR 53 7.465 -1.917 -0.363 398 HD2 TYR 53 1HD TYR 53 10.265 -3.436 2.457 399 HE1 TYR 53 2HE TYR 53 8.307 0.362 0.019 400 HE2 TYR 53 1HE TYR 53 11.114 -1.161 2.849 401 HH TYR 53 HH TYR 53 9.628 1.648 1.287 402 H PHE 54 H PHE 54 6.830 -6.242 -0.586 403 HA PHE 54 HA PHE 54 8.078 -8.886 -0.438 404 HB2 PHE 54 1HB PHE 54 5.646 -8.149 1.199 405 HB3 PHE 54 2HB PHE 54 6.503 -9.687 1.205 406 HD1 PHE 54 1HD PHE 54 8.838 -9.773 2.113 407 HD2 PHE 54 2HD PHE 54 6.316 -6.376 2.582 408 HE1 PHE 54 1HE PHE 54 10.262 -8.974 3.953 409 HE2 PHE 54 2HE PHE 54 7.737 -5.572 4.423 410 HZ PHE 54 HZ PHE 54 9.713 -6.870 5.110 411 HA PRO 55 HA PRO 55 5.270 -9.095 -3.943 412 HB2 PRO 55 1HB PRO 55 6.291 -11.416 -4.913 413 HB3 PRO 55 2HB PRO 55 7.061 -9.846 -5.172 414 HG2 PRO 55 1HG PRO 55 7.716 -11.968 -3.165 415 HG3 PRO 55 2HG PRO 55 8.812 -10.994 -4.161 416 HD2 PRO 55 1HD PRO 55 8.323 -10.432 -1.558 417 HD3 PRO 55 2HD PRO 55 8.670 -9.171 -2.758 418 H LYS 56 H LYS 56 5.971 -11.642 -1.609 419 HA LYS 56 HA LYS 56 3.791 -13.322 -2.310 420 HB2 LYS 56 1HB LYS 56 4.235 -14.434 -0.155 421 HB3 LYS 56 2HB LYS 56 5.705 -14.196 -1.091 422 HG2 LYS 56 1HG LYS 56 6.187 -12.186 0.285 423 HG3 LYS 56 2HG LYS 56 4.786 -12.587 1.281 424 HD2 LYS 56 1HD LYS 56 5.809 -14.396 2.233 425 HD3 LYS 56 2HD LYS 56 6.819 -14.706 0.818 426 HE2 LYS 56 1HE LYS 56 8.304 -13.941 2.465 427 HE3 LYS 56 2HE LYS 56 8.033 -12.549 1.417 428 HZ1 LYS 56 3HZ LYS 56 7.020 -11.417 3.048 429 HZ2 LYS 56 1HZ LYS 56 7.825 -12.487 4.081 430 HZ3 LYS 56 2HZ LYS 56 6.213 -12.773 3.657 431 H MET 57 H MET 57 4.240 -10.830 0.173 432 HA MET 57 HA MET 57 1.816 -11.116 1.507 433 HB2 MET 57 1HB MET 57 3.723 -8.854 1.105 434 HB3 MET 57 2HB MET 57 2.155 -8.512 1.825 435 HG2 MET 57 1HG MET 57 3.758 -10.754 2.932 436 HG3 MET 57 2HG MET 57 4.254 -9.102 3.293 437 HE1 MET 57 3HE MET 57 2.348 -7.321 3.803 438 HE2 MET 57 1HE MET 57 1.302 -7.608 5.195 439 HE3 MET 57 2HE MET 57 3.054 -7.705 5.374 440 H VAL 58 H VAL 58 2.542 -9.643 -1.565 441 HA VAL 58 HA VAL 58 -0.032 -8.337 -1.777 442 HB VAL 58 HB VAL 58 2.146 -8.711 -3.838 443 HG11 VAL 58 1HG1 VAL 58 -0.425 -7.151 -3.892 444 HG12 VAL 58 2HG1 VAL 58 0.922 -6.814 -4.980 445 HG13 VAL 58 3HG1 VAL 58 0.125 -8.387 -5.022 446 HG21 VAL 58 3HG2 VAL 58 1.551 -6.592 -1.822 447 HG22 VAL 58 1HG2 VAL 58 3.099 -7.290 -2.299 448 HG23 VAL 58 2HG2 VAL 58 2.285 -6.141 -3.361 449 H GLU 59 H GLU 59 -1.825 -9.187 -2.615 450 HA GLU 59 HA GLU 59 -1.592 -11.666 -4.190 451 HB2 GLU 59 1HB GLU 59 -3.587 -10.950 -2.046 452 HB3 GLU 59 2HB GLU 59 -3.870 -12.242 -3.205 453 HG2 GLU 59 1HG GLU 59 -1.352 -12.226 -1.610 454 HG3 GLU 59 2HG GLU 59 -2.857 -12.762 -0.865 455 H MET 60 H MET 60 -1.643 -10.393 -6.106 456 HA MET 60 HA MET 60 -3.953 -8.740 -6.643 457 HB2 MET 60 1HB MET 60 -1.452 -9.453 -8.116 458 HB3 MET 60 2HB MET 60 -2.816 -8.808 -9.021 459 HG2 MET 60 1HG MET 60 -1.845 -7.386 -6.586 460 HG3 MET 60 2HG MET 60 -0.980 -7.217 -8.112 461 HE1 MET 60 3HE MET 60 -4.312 -4.682 -6.793 462 HE2 MET 60 1HE MET 60 -4.064 -6.242 -6.009 463 HE3 MET 60 2HE MET 60 -2.731 -5.094 -6.127 464 H HIS 61 H HIS 61 -5.091 -11.004 -6.064 465 HA HIS 61 HA HIS 61 -5.868 -12.142 -8.663 466 HB2 HIS 61 1HB HIS 61 -5.034 -13.554 -6.174 467 HB3 HIS 61 2HB HIS 61 -6.327 -14.269 -7.132 468 HD1 HIS 61 1HD HIS 61 -3.352 -15.401 -6.726 469 HD2 HIS 61 2HD HIS 61 -4.850 -13.455 -10.077 470 HE1 HIS 61 1HE HIS 61 -1.895 -16.138 -8.639 471 HE2 HIS 61 2HE HIS 61 -2.767 -14.882 -10.640 472 H ASN 62 H ASN 62 -6.756 -11.278 -5.386 473 HA ASN 62 HA ASN 62 -9.568 -11.863 -5.904 474 HB2 ASN 62 1HB ASN 62 -8.533 -10.631 -3.368 475 HB3 ASN 62 2HB ASN 62 -9.928 -11.680 -3.601 476 HD21 ASN 62 1HD2 ASN 62 -6.510 -11.515 -3.140 477 HD22 ASN 62 2HD2 ASN 62 -6.248 -13.205 -2.898 478 H TYR 63 H TYR 63 -7.518 -9.106 -4.992 479 HA TYR 63 HA TYR 63 -9.563 -7.169 -5.042 480 HB2 TYR 63 1HB TYR 63 -6.603 -6.788 -5.539 481 HB3 TYR 63 2HB TYR 63 -7.751 -5.523 -5.114 482 HD1 TYR 63 2HD TYR 63 -9.025 -5.853 -2.861 483 HD2 TYR 63 1HD TYR 63 -5.405 -7.853 -3.861 484 HE1 TYR 63 2HE TYR 63 -8.598 -6.261 -0.473 485 HE2 TYR 63 1HE TYR 63 -4.968 -8.268 -1.476 486 HH TYR 63 HH TYR 63 -6.788 -8.414 0.728 487 H VAL 64 H VAL 64 -10.617 -6.267 -6.677 488 HA VAL 64 HA VAL 64 -9.428 -6.419 -9.371 489 HB VAL 64 HB VAL 64 -12.352 -6.618 -8.633 490 HG11 VAL 64 1HG1 VAL 64 -11.760 -5.360 -10.767 491 HG12 VAL 64 2HG1 VAL 64 -11.180 -6.909 -11.385 492 HG13 VAL 64 3HG1 VAL 64 -12.872 -6.720 -10.922 493 HG21 VAL 64 3HG2 VAL 64 -10.402 -8.636 -9.736 494 HG22 VAL 64 1HG2 VAL 64 -11.222 -8.683 -8.175 495 HG23 VAL 64 2HG2 VAL 64 -12.148 -8.879 -9.663 496 HA PRO 65 HA PRO 65 -9.745 -2.017 -9.409 497 HB2 PRO 65 1HB PRO 65 -9.485 -1.640 -12.085 498 HB3 PRO 65 2HB PRO 65 -8.127 -2.075 -11.039 499 HG2 PRO 65 1HG PRO 65 -9.790 -3.824 -12.810 500 HG3 PRO 65 2HG PRO 65 -8.033 -3.820 -12.573 501 HD2 PRO 65 1HD PRO 65 -9.662 -5.616 -11.367 502 HD3 PRO 65 2HD PRO 65 -8.168 -5.023 -10.612 503 H ALA 66 H ALA 66 -11.764 -1.333 -8.891 504 HA ALA 66 HA ALA 66 -13.869 -1.577 -10.935 505 HB1 ALA 66 3HB ALA 66 -14.220 -2.573 -8.617 506 HB2 ALA 66 1HB ALA 66 -14.339 -0.908 -8.045 507 HB3 ALA 66 2HB ALA 66 -15.488 -1.517 -9.237 508 H ASN 67 H ASN 67 -15.561 0.300 -10.611 509 HA ASN 67 HA ASN 67 -14.045 2.827 -10.564 510 HB2 ASN 67 1HB ASN 67 -16.212 1.847 -12.389 511 HB3 ASN 67 2HB ASN 67 -16.016 3.576 -12.118 512 HD21 ASN 67 1HD2 ASN 67 -15.463 1.515 -14.366 513 HD22 ASN 67 2HD2 ASN 67 -13.904 1.988 -14.940 514 H SER 68 H SER 68 -17.111 1.252 -9.816 515 HA SER 68 HA SER 68 -18.474 3.453 -8.763 516 HB2 SER 68 1HB SER 68 -18.685 0.493 -8.430 517 HB3 SER 68 2HB SER 68 -19.574 1.524 -7.309 518 HG SER 68 HG SER 68 -20.386 0.814 -9.636 519 H LEU 69 H LEU 69 -19.128 3.543 -6.358 520 HA LEU 69 HA LEU 69 -16.703 3.967 -4.851 521 HB2 LEU 69 1HB LEU 69 -18.806 5.453 -4.918 522 HB3 LEU 69 2HB LEU 69 -19.487 4.287 -3.785 523 HG LEU 69 HG LEU 69 -18.696 6.043 -2.453 524 HD11 LEU 69 1HD1 LEU 69 -16.418 4.075 -2.457 525 HD12 LEU 69 2HD1 LEU 69 -17.999 3.748 -1.747 526 HD13 LEU 69 3HD1 LEU 69 -16.998 5.053 -1.108 527 HD21 LEU 69 3HD2 LEU 69 -15.996 6.404 -2.917 528 HD22 LEU 69 1HD2 LEU 69 -17.296 7.491 -3.405 529 HD23 LEU 69 2HD2 LEU 69 -16.688 6.281 -4.536 530 H GLN 70 H GLN 70 -19.729 2.181 -4.221 531 HA GLN 70 HA GLN 70 -19.199 0.900 -1.923 532 HB2 GLN 70 1HB GLN 70 -20.555 -0.971 -2.688 533 HB3 GLN 70 2HB GLN 70 -21.243 0.548 -3.246 534 HG2 GLN 70 1HG GLN 70 -20.171 0.168 -5.447 535 HG3 GLN 70 2HG GLN 70 -19.636 -1.409 -4.869 536 HE21 GLN 70 1HE2 GLN 70 -22.254 0.452 -6.074 537 HE22 GLN 70 2HE2 GLN 70 -23.415 -0.824 -6.157 538 H GLN 71 H GLN 71 -17.992 -0.147 -5.096 539 HA GLN 71 HA GLN 71 -16.657 -2.446 -4.310 540 HB2 GLN 71 1HB GLN 71 -16.298 -0.495 -6.541 541 HB3 GLN 71 2HB GLN 71 -15.051 -1.707 -6.277 542 HG2 GLN 71 1HG GLN 71 -17.919 -2.098 -7.035 543 HG3 GLN 71 2HG GLN 71 -16.465 -2.655 -7.863 544 HE21 GLN 71 1HE2 GLN 71 -15.060 -4.087 -6.340 545 HE22 GLN 71 2HE2 GLN 71 -15.924 -5.350 -5.540 546 H LYS 72 H LYS 72 -15.442 0.890 -4.441 547 HA LYS 72 HA LYS 72 -12.817 0.497 -3.732 548 HB2 LYS 72 1HB LYS 72 -14.593 2.734 -2.741 549 HB3 LYS 72 2HB LYS 72 -12.837 2.765 -2.834 550 HG2 LYS 72 1HG LYS 72 -14.524 2.336 -5.273 551 HG3 LYS 72 2HG LYS 72 -14.163 3.953 -4.666 552 HD2 LYS 72 1HD LYS 72 -12.401 3.721 -6.086 553 HD3 LYS 72 2HD LYS 72 -11.690 2.961 -4.661 554 HE2 LYS 72 1HE LYS 72 -11.239 1.340 -6.194 555 HE3 LYS 72 2HE LYS 72 -12.847 0.812 -5.698 556 HZ1 LYS 72 3HZ LYS 72 -11.985 2.041 -8.206 557 HZ2 LYS 72 1HZ LYS 72 -13.534 2.424 -7.644 558 HZ3 LYS 72 2HZ LYS 72 -13.116 0.812 -7.937 559 H LEU 73 H LEU 73 -15.369 1.365 -1.390 560 HA LEU 73 HA LEU 73 -13.943 0.929 0.924 561 HB2 LEU 73 1HB LEU 73 -16.846 0.722 0.251 562 HB3 LEU 73 2HB LEU 73 -16.287 0.268 1.860 563 HG LEU 73 HG LEU 73 -15.877 2.981 0.603 564 HD11 LEU 73 1HD1 LEU 73 -17.639 2.788 2.912 565 HD12 LEU 73 2HD1 LEU 73 -18.258 1.943 1.494 566 HD13 LEU 73 3HD1 LEU 73 -17.850 3.656 1.391 567 HD21 LEU 73 3HD2 LEU 73 -15.679 3.222 3.326 568 HD22 LEU 73 1HD2 LEU 73 -14.322 3.130 2.203 569 HD23 LEU 73 2HD2 LEU 73 -14.890 1.674 3.020 570 H SER 74 H SER 74 -15.877 -1.419 -0.907 571 HA SER 74 HA SER 74 -15.613 -3.603 0.788 572 HB2 SER 74 1HB SER 74 -17.030 -3.376 -1.342 573 HB3 SER 74 2HB SER 74 -15.578 -3.858 -2.217 574 HG SER 74 HG SER 74 -15.663 -5.656 -0.481 575 H ASN 75 H ASN 75 -13.509 -2.594 -1.893 576 HA ASN 75 HA ASN 75 -11.674 -4.705 -1.709 577 HB2 ASN 75 1HB ASN 75 -11.487 -1.901 -2.783 578 HB3 ASN 75 2HB ASN 75 -10.086 -2.968 -2.785 579 HD21 ASN 75 1HD2 ASN 75 -10.260 -2.613 -5.120 580 HD22 ASN 75 2HD2 ASN 75 -11.306 -3.642 -6.033 581 H TRP 76 H TRP 76 -11.313 -1.368 -0.495 582 HA TRP 76 HA TRP 76 -8.953 -1.653 0.877 583 HB2 TRP 76 1HB TRP 76 -11.335 0.101 1.201 584 HB3 TRP 76 2HB TRP 76 -10.177 0.060 2.527 585 HD1 TRP 76 HD TRP 76 -10.641 1.373 -0.991 586 HE1 TRP 76 1HE TRP 76 -8.641 2.870 -1.609 587 HE3 TRP 76 3HE TRP 76 -7.596 0.338 2.982 588 HZ2 TRP 76 2HZ TRP 76 -6.107 3.525 -0.551 589 HZ3 TRP 76 3HZ TRP 76 -5.400 1.441 3.104 590 HH2 TRP 76 HH TRP 76 -4.673 3.001 1.373 591 H GLY 77 H GLY 77 -12.229 -2.183 2.184 592 HA2 GLY 77 1HA GLY 77 -11.792 -2.812 4.762 593 HA3 GLY 77 2HA GLY 77 -12.910 -3.734 3.768 594 H HIS 78 H HIS 78 -11.333 -5.146 2.109 595 HA HIS 78 HA HIS 78 -10.416 -7.250 3.733 596 HB2 HIS 78 1HB HIS 78 -10.177 -6.622 0.807 597 HB3 HIS 78 2HB HIS 78 -9.322 -8.002 1.490 598 HD1 HIS 78 1HD HIS 78 -12.287 -7.335 -0.234 599 HD2 HIS 78 2HD HIS 78 -11.405 -9.592 3.141 600 HE1 HIS 78 1HE HIS 78 -14.190 -8.963 0.003 601 HE2 HIS 78 2HE HIS 78 -13.677 -10.261 2.100 602 H LEU 79 H LEU 79 -8.567 -4.973 1.703 603 HA LEU 79 HA LEU 79 -6.015 -5.774 2.242 604 HB2 LEU 79 1HB LEU 79 -6.877 -3.837 0.792 605 HB3 LEU 79 2HB LEU 79 -6.742 -2.864 2.256 606 HG LEU 79 HG LEU 79 -4.270 -3.842 2.216 607 HD11 LEU 79 1HD1 LEU 79 -3.411 -4.043 -0.024 608 HD12 LEU 79 2HD1 LEU 79 -5.008 -3.732 -0.704 609 HD13 LEU 79 3HD1 LEU 79 -4.712 -5.212 0.206 610 HD21 LEU 79 3HD2 LEU 79 -4.085 -1.751 0.391 611 HD22 LEU 79 1HD2 LEU 79 -4.040 -1.631 2.151 612 HD23 LEU 79 2HD2 LEU 79 -5.568 -1.431 1.293 613 H ASN 80 H ASN 80 -8.259 -4.358 4.433 614 HA ASN 80 HA ASN 80 -6.312 -3.464 6.347 615 HB2 ASN 80 1HB ASN 80 -8.564 -2.441 6.164 616 HB3 ASN 80 2HB ASN 80 -9.276 -3.955 6.714 617 HD21 ASN 80 1HD2 ASN 80 -8.963 -1.083 7.780 618 HD22 ASN 80 2HD2 ASN 80 -8.493 -1.327 9.425 619 H ARG 81 H ARG 81 -8.335 -6.318 5.911 620 HA ARG 81 HA ARG 81 -7.124 -7.531 8.295 621 HB2 ARG 81 1HB ARG 81 -9.489 -8.480 6.667 622 HB3 ARG 81 2HB ARG 81 -8.918 -9.179 8.176 623 HG2 ARG 81 1HG ARG 81 -9.724 -6.307 8.077 624 HG3 ARG 81 2HG ARG 81 -10.950 -7.572 8.184 625 HD2 ARG 81 1HD ARG 81 -8.615 -7.376 10.073 626 HD3 ARG 81 2HD ARG 81 -10.168 -6.598 10.379 627 HE ARG 81 HE ARG 81 -10.654 -9.287 9.828 628 HH11 ARG 81 1HH1 ARG 81 -9.085 -7.344 12.253 629 HH12 ARG 81 2HH1 ARG 81 -9.371 -8.476 13.532 630 HH21 ARG 81 1HH2 ARG 81 -11.037 -10.786 11.504 631 HH22 ARG 81 2HH2 ARG 81 -10.481 -10.434 13.105 632 H LYS 82 H LYS 82 -6.385 -7.273 5.181 633 HA LYS 82 HA LYS 82 -5.466 -10.064 4.940 634 HB2 LYS 82 1HB LYS 82 -6.276 -8.052 2.855 635 HB3 LYS 82 2HB LYS 82 -5.267 -9.434 2.448 636 HG2 LYS 82 1HG LYS 82 -7.805 -9.921 3.916 637 HG3 LYS 82 2HG LYS 82 -7.882 -9.518 2.199 638 HD2 LYS 82 1HD LYS 82 -5.994 -11.366 2.051 639 HD3 LYS 82 2HD LYS 82 -6.753 -11.920 3.545 640 HE2 LYS 82 1HE LYS 82 -8.497 -11.278 1.221 641 HE3 LYS 82 2HE LYS 82 -7.562 -12.772 1.178 642 HZ1 LYS 82 3HZ LYS 82 -9.194 -12.102 3.540 643 HZ2 LYS 82 1HZ LYS 82 -8.674 -13.619 2.999 644 HZ3 LYS 82 2HZ LYS 82 -9.911 -12.807 2.180 645 H VAL 83 H VAL 83 -4.580 -6.686 4.770 646 HA VAL 83 HA VAL 83 -1.757 -7.482 4.468 647 HB VAL 83 HB VAL 83 -3.111 -4.921 3.618 648 HG11 VAL 83 1HG1 VAL 83 -0.199 -5.640 3.798 649 HG12 VAL 83 2HG1 VAL 83 -0.795 -4.375 2.721 650 HG13 VAL 83 3HG1 VAL 83 -1.026 -4.232 4.464 651 HG21 VAL 83 3HG2 VAL 83 -1.474 -6.486 1.739 652 HG22 VAL 83 1HG2 VAL 83 -2.968 -7.258 2.268 653 HG23 VAL 83 2HG2 VAL 83 -3.020 -5.674 1.495 654 H LEU 84 H LEU 84 -3.356 -4.493 5.540 655 HA LEU 84 HA LEU 84 -1.614 -3.562 7.345 656 HB2 LEU 84 1HB LEU 84 -4.580 -3.740 7.852 657 HB3 LEU 84 2HB LEU 84 -3.463 -2.606 8.609 658 HG LEU 84 HG LEU 84 -4.140 -2.671 5.669 659 HD11 LEU 84 1HD1 LEU 84 -4.927 -0.414 7.408 660 HD12 LEU 84 2HD1 LEU 84 -5.857 -1.904 7.563 661 HD13 LEU 84 3HD1 LEU 84 -5.734 -1.100 5.998 662 HD21 LEU 84 3HD2 LEU 84 -2.110 -1.300 7.250 663 HD22 LEU 84 1HD2 LEU 84 -3.107 -0.206 6.291 664 HD23 LEU 84 2HD2 LEU 84 -2.232 -1.520 5.504 665 H LYS 85 H LYS 85 -4.191 -5.850 8.274 666 HA LYS 85 HA LYS 85 -3.653 -6.331 10.863 667 HB2 LYS 85 1HB LYS 85 -5.369 -7.505 9.466 668 HB3 LYS 85 2HB LYS 85 -4.094 -8.557 8.866 669 HG2 LYS 85 1HG LYS 85 -3.672 -9.320 11.167 670 HG3 LYS 85 2HG LYS 85 -5.007 -8.310 11.725 671 HD2 LYS 85 1HD LYS 85 -6.081 -10.323 11.486 672 HD3 LYS 85 2HD LYS 85 -6.344 -9.630 9.884 673 HE2 LYS 85 1HE LYS 85 -5.619 -11.770 9.386 674 HE3 LYS 85 2HE LYS 85 -4.130 -10.833 9.276 675 HZ1 LYS 85 3HZ LYS 85 -3.417 -12.525 10.582 676 HZ2 LYS 85 1HZ LYS 85 -4.938 -12.813 11.265 677 HZ3 LYS 85 2HZ LYS 85 -4.001 -11.513 11.805 678 H ARG 86 H ARG 86 -1.964 -7.988 8.196 679 HA ARG 86 HA ARG 86 -0.179 -9.454 9.753 680 HB2 ARG 86 1HB ARG 86 0.281 -8.304 6.994 681 HB3 ARG 86 2HB ARG 86 1.205 -9.606 7.730 682 HG2 ARG 86 1HG ARG 86 -1.758 -9.805 7.305 683 HG3 ARG 86 2HG ARG 86 -0.594 -10.247 6.054 684 HD2 ARG 86 1HD ARG 86 0.478 -11.704 7.901 685 HD3 ARG 86 2HD ARG 86 -1.065 -11.508 8.731 686 HE ARG 86 HE ARG 86 -1.442 -12.362 6.049 687 HH11 ARG 86 1HH1 ARG 86 -0.503 -13.483 9.208 688 HH12 ARG 86 2HH1 ARG 86 -1.010 -15.115 8.923 689 HH21 ARG 86 1HH2 ARG 86 -2.113 -14.508 5.661 690 HH22 ARG 86 2HH2 ARG 86 -1.924 -15.697 6.905 691 H LEU 87 H LEU 87 0.020 -6.147 8.549 692 HA LEU 87 HA LEU 87 2.690 -5.777 9.603 693 HB2 LEU 87 1HB LEU 87 0.736 -3.876 8.321 694 HB3 LEU 87 2HB LEU 87 2.354 -3.420 8.852 695 HG LEU 87 HG LEU 87 1.992 -5.635 6.871 696 HD11 LEU 87 1HD1 LEU 87 1.834 -2.683 6.342 697 HD12 LEU 87 2HD1 LEU 87 0.732 -3.955 5.817 698 HD13 LEU 87 3HD1 LEU 87 2.345 -3.840 5.112 699 HD21 LEU 87 3HD2 LEU 87 4.164 -3.781 7.739 700 HD22 LEU 87 1HD2 LEU 87 4.195 -4.460 6.112 701 HD23 LEU 87 2HD2 LEU 87 4.200 -5.530 7.514 702 H ASN 88 H ASN 88 0.518 -6.475 11.446 703 HA ASN 88 HA ASN 88 -0.453 -5.803 13.411 704 HB2 ASN 88 1HB ASN 88 1.960 -6.090 13.973 705 HB3 ASN 88 2HB ASN 88 2.193 -4.366 13.699 706 HD21 ASN 88 1HD2 ASN 88 2.606 -3.586 15.656 707 HD22 ASN 88 2HD2 ASN 88 1.596 -3.784 17.044 708 H PHE 89 H PHE 89 -1.114 -4.105 11.200 709 HA PHE 89 HA PHE 89 -1.332 -1.486 12.529 710 HB2 PHE 89 1HB PHE 89 -0.220 -1.823 10.161 711 HB3 PHE 89 2HB PHE 89 -1.893 -1.840 9.613 712 HD1 PHE 89 1HD PHE 89 0.764 0.181 11.111 713 HD2 PHE 89 2HD PHE 89 -3.248 0.147 9.690 714 HE1 PHE 89 1HE PHE 89 0.743 2.641 11.125 715 HE2 PHE 89 2HE PHE 89 -3.276 2.607 9.701 716 HZ PHE 89 HZ PHE 89 -1.279 3.858 10.418 717 H SER 90 H SER 90 -3.318 -0.485 12.698 718 HA SER 90 HA SER 90 -5.667 -1.997 11.790 719 HB2 SER 90 1HB SER 90 -5.175 -0.934 14.577 720 HB3 SER 90 2HB SER 90 -6.765 -1.425 13.994 721 HG SER 90 HG SER 90 -4.606 -2.959 14.745 722 H VAL 91 H VAL 91 -7.503 -0.768 11.341 723 HA VAL 91 HA VAL 91 -7.375 2.122 11.677 724 HB VAL 91 HB VAL 91 -7.644 0.832 8.958 725 HG11 VAL 91 1HG1 VAL 91 -9.124 2.864 9.521 726 HG12 VAL 91 2HG1 VAL 91 -7.618 3.783 9.481 727 HG13 VAL 91 3HG1 VAL 91 -8.159 2.911 8.046 728 HG21 VAL 91 3HG2 VAL 91 -5.564 2.767 9.970 729 HG22 VAL 91 1HG2 VAL 91 -5.333 1.022 9.859 730 HG23 VAL 91 2HG2 VAL 91 -5.603 1.971 8.397 731 HA PRO 92 HA PRO 92 -11.679 1.488 12.407 732 HB2 PRO 92 1HB PRO 92 -12.487 4.075 12.239 733 HB3 PRO 92 2HB PRO 92 -11.596 3.435 13.625 734 HG2 PRO 92 1HG PRO 92 -10.588 5.009 11.286 735 HG3 PRO 92 2HG PRO 92 -10.187 5.178 13.005 736 HD2 PRO 92 1HD PRO 92 -8.570 3.896 11.252 737 HD3 PRO 92 2HD PRO 92 -8.692 3.424 12.959 738 H ASP 93 H ASP 93 -13.770 1.796 11.386 739 HA ASP 93 HA ASP 93 -13.636 1.474 8.551 740 HB2 ASP 93 1HB ASP 93 -15.283 0.354 10.152 741 HB3 ASP 93 2HB ASP 93 -16.153 1.886 10.159 742 H ASP 94 H ASP 94 -14.063 4.147 10.648 743 HA ASP 94 HA ASP 94 -15.528 5.824 8.865 744 HB2 ASP 94 1HB ASP 94 -14.087 6.179 11.446 745 HB3 ASP 94 2HB ASP 94 -14.375 7.619 10.473 746 H VAL 95 H VAL 95 -12.091 5.616 9.758 747 HA VAL 95 HA VAL 95 -11.170 7.664 8.082 748 HB VAL 95 HB VAL 95 -9.825 5.246 9.253 749 HG11 VAL 95 1HG1 VAL 95 -7.676 6.164 8.450 750 HG12 VAL 95 2HG1 VAL 95 -8.719 5.615 7.136 751 HG13 VAL 95 3HG1 VAL 95 -8.567 7.338 7.483 752 HG21 VAL 95 3HG2 VAL 95 -8.555 7.073 10.450 753 HG22 VAL 95 1HG2 VAL 95 -9.716 8.210 9.763 754 HG23 VAL 95 2HG2 VAL 95 -10.266 6.938 10.853 755 H MET 96 H MET 96 -11.876 4.289 7.457 756 HA MET 96 HA MET 96 -10.564 4.046 4.979 757 HB2 MET 96 1HB MET 96 -12.934 2.611 6.168 758 HB3 MET 96 2HB MET 96 -12.267 2.189 4.596 759 HG2 MET 96 1HG MET 96 -10.022 2.077 5.991 760 HG3 MET 96 2HG MET 96 -11.152 1.774 7.309 761 HE1 MET 96 3HE MET 96 -11.565 -0.367 8.042 762 HE2 MET 96 1HE MET 96 -13.052 -0.392 7.094 763 HE3 MET 96 2HE MET 96 -11.971 -1.785 7.073 764 H ARG 97 H ARG 97 -13.880 5.000 5.802 765 HA ARG 97 HA ARG 97 -15.001 5.172 3.299 766 HB2 ARG 97 1HB ARG 97 -15.397 6.760 5.811 767 HB3 ARG 97 2HB ARG 97 -16.258 7.212 4.346 768 HG2 ARG 97 1HG ARG 97 -16.915 4.675 4.322 769 HG3 ARG 97 2HG ARG 97 -16.543 4.786 6.043 770 HD2 ARG 97 1HD ARG 97 -18.081 6.794 6.109 771 HD3 ARG 97 2HD ARG 97 -18.588 6.347 4.481 772 HE ARG 97 HE ARG 97 -18.905 4.070 5.962 773 HH11 ARG 97 1HH1 ARG 97 -20.076 7.342 6.163 774 HH12 ARG 97 2HH1 ARG 97 -21.568 6.900 6.925 775 HH21 ARG 97 1HH2 ARG 97 -20.866 3.475 6.965 776 HH22 ARG 97 2HH2 ARG 97 -22.016 4.700 7.381 777 H LYS 98 H LYS 98 -13.226 7.750 5.002 778 HA LYS 98 HA LYS 98 -13.345 9.708 3.053 779 HB2 LYS 98 1HB LYS 98 -11.148 9.078 5.027 780 HB3 LYS 98 2HB LYS 98 -11.180 10.536 4.043 781 HG2 LYS 98 1HG LYS 98 -12.939 11.447 5.201 782 HG3 LYS 98 2HG LYS 98 -13.544 9.875 5.731 783 HD2 LYS 98 1HD LYS 98 -11.510 9.677 7.178 784 HD3 LYS 98 2HD LYS 98 -11.116 11.344 6.752 785 HE2 LYS 98 1HE LYS 98 -13.814 10.673 7.853 786 HE3 LYS 98 2HE LYS 98 -12.436 10.838 8.939 787 HZ1 LYS 98 3HZ LYS 98 -12.865 12.964 6.984 788 HZ2 LYS 98 1HZ LYS 98 -12.291 13.055 8.573 789 HZ3 LYS 98 2HZ LYS 98 -13.947 12.879 8.281 790 H ILE 99 H ILE 99 -10.658 7.413 3.556 791 HA ILE 99 HA ILE 99 -9.060 8.026 1.443 792 HB ILE 99 HB ILE 99 -9.735 5.242 2.401 793 HG12 ILE 99 1HG1 ILE 99 -7.362 6.962 3.125 794 HG13 ILE 99 2HG1 ILE 99 -8.840 6.925 4.080 795 HG21 ILE 99 1HG2 ILE 99 -8.615 5.474 0.120 796 HG22 ILE 99 2HG2 ILE 99 -7.212 6.073 1.004 797 HG23 ILE 99 3HG2 ILE 99 -7.818 4.446 1.311 798 HD11 ILE 99 3HD1 ILE 99 -8.313 4.976 5.025 799 HD12 ILE 99 1HD1 ILE 99 -7.730 4.286 3.511 800 HD13 ILE 99 2HD1 ILE 99 -6.677 5.328 4.468 801 H ALA 100 H ALA 100 -11.704 5.633 1.311 802 HA ALA 100 HA ALA 100 -11.543 5.160 -1.451 803 HB1 ALA 100 3HB ALA 100 -12.877 3.538 -0.706 804 HB2 ALA 100 1HB ALA 100 -13.337 4.466 0.722 805 HB3 ALA 100 2HB ALA 100 -14.191 4.711 -0.802 806 H GLN 101 H GLN 101 -12.921 7.765 0.347 807 HA GLN 101 HA GLN 101 -14.622 8.670 -1.809 808 HB2 GLN 101 1HB GLN 101 -13.980 9.654 0.945 809 HB3 GLN 101 2HB GLN 101 -14.740 10.742 -0.209 810 HG2 GLN 101 1HG GLN 101 -15.893 8.038 0.346 811 HG3 GLN 101 2HG GLN 101 -16.225 9.408 1.405 812 HE21 GLN 101 1HE2 GLN 101 -18.257 9.951 0.990 813 HE22 GLN 101 2HE2 GLN 101 -18.908 10.285 -0.575 814 H CYS 102 H CYS 102 -11.545 8.479 -1.903 815 HA CYS 102 HA CYS 102 -9.790 9.648 -2.766 816 HB2 CYS 102 1HB CYS 102 -12.008 11.142 -4.181 817 HB3 CYS 102 2HB CYS 102 -10.319 11.095 -4.671 818 HG CYS 102 HG CYS 102 -12.010 9.481 -6.331 819 H ALA 103 H ALA 103 -10.110 10.494 -0.306 820 HA ALA 103 HA ALA 103 -10.375 13.407 -0.309 821 HB1 ALA 103 3HB ALA 103 -9.735 12.041 2.216 822 HB2 ALA 103 1HB ALA 103 -10.947 13.273 1.863 823 HB3 ALA 103 2HB ALA 103 -11.267 11.582 1.473 824 HA PRO 104 HA PRO 104 -5.942 13.731 -0.607 825 HB2 PRO 104 1HB PRO 104 -5.848 16.438 -0.422 826 HB3 PRO 104 2HB PRO 104 -6.321 15.592 -1.900 827 HG2 PRO 104 1HG PRO 104 -8.048 16.856 0.192 828 HG3 PRO 104 2HG PRO 104 -8.203 16.917 -1.573 829 HD2 PRO 104 1HD PRO 104 -9.699 15.265 -0.035 830 HD3 PRO 104 2HD PRO 104 -9.195 14.839 -1.683 831 H GLY 105 H GLY 105 -4.502 13.466 0.979 832 HA2 GLY 105 1HA GLY 105 -3.324 14.261 2.900 833 HA3 GLY 105 2HA GLY 105 -4.807 15.024 3.452 834 H VAL 106 H VAL 106 -6.639 13.059 3.416 835 HA VAL 106 HA VAL 106 -6.309 11.697 5.764 836 HB VAL 106 HB VAL 106 -7.887 10.653 3.410 837 HG11 VAL 106 1HG1 VAL 106 -7.996 8.949 4.941 838 HG12 VAL 106 2HG1 VAL 106 -7.826 10.033 6.324 839 HG13 VAL 106 3HG1 VAL 106 -9.362 9.936 5.461 840 HG21 VAL 106 3HG2 VAL 106 -8.608 12.874 3.692 841 HG22 VAL 106 1HG2 VAL 106 -9.779 11.897 4.577 842 HG23 VAL 106 2HG2 VAL 106 -8.519 12.768 5.450 843 H VAL 107 H VAL 107 -6.278 9.945 2.664 844 HA VAL 107 HA VAL 107 -5.126 7.614 3.556 845 HB VAL 107 HB VAL 107 -6.050 7.763 1.331 846 HG11 VAL 107 1HG1 VAL 107 -3.716 9.562 0.684 847 HG12 VAL 107 2HG1 VAL 107 -4.902 8.955 -0.473 848 HG13 VAL 107 3HG1 VAL 107 -5.404 10.056 0.811 849 HG21 VAL 107 3HG2 VAL 107 -4.416 6.504 0.121 850 HG22 VAL 107 1HG2 VAL 107 -3.103 7.187 1.080 851 HG23 VAL 107 2HG2 VAL 107 -4.262 6.088 1.827 852 H GLU 108 H GLU 108 -3.558 10.630 2.687 853 HA GLU 108 HA GLU 108 -0.921 9.773 2.470 854 HB2 GLU 108 1HB GLU 108 -2.039 12.136 2.148 855 HB3 GLU 108 2HB GLU 108 -1.535 12.371 3.816 856 HG2 GLU 108 1HG GLU 108 0.268 13.216 2.706 857 HG3 GLU 108 2HG GLU 108 0.776 11.541 2.919 858 H LEU 109 H LEU 109 -2.751 10.737 5.348 859 HA LEU 109 HA LEU 109 -0.686 10.608 7.215 860 HB2 LEU 109 1HB LEU 109 -3.594 9.922 7.616 861 HB3 LEU 109 2HB LEU 109 -2.438 10.299 8.892 862 HG LEU 109 HG LEU 109 -3.169 12.265 6.734 863 HD11 LEU 109 1HD1 LEU 109 -5.213 12.297 7.646 864 HD12 LEU 109 2HD1 LEU 109 -4.433 13.147 8.978 865 HD13 LEU 109 3HD1 LEU 109 -4.698 11.407 9.078 866 HD21 LEU 109 3HD2 LEU 109 -2.288 13.891 8.296 867 HD22 LEU 109 1HD2 LEU 109 -1.079 12.647 7.979 868 HD23 LEU 109 2HD2 LEU 109 -1.992 12.625 9.488 869 H VAL 110 H VAL 110 -2.248 8.102 5.490 870 HA VAL 110 HA VAL 110 -1.417 6.042 7.390 871 HB VAL 110 HB VAL 110 -2.702 5.432 4.756 872 HG11 VAL 110 1HG1 VAL 110 -2.926 3.398 5.627 873 HG12 VAL 110 2HG1 VAL 110 -1.917 3.936 6.971 874 HG13 VAL 110 3HG1 VAL 110 -3.674 4.039 7.089 875 HG21 VAL 110 3HG2 VAL 110 -4.838 5.584 6.434 876 HG22 VAL 110 1HG2 VAL 110 -3.884 6.974 6.953 877 HG23 VAL 110 2HG2 VAL 110 -4.387 6.829 5.269 878 H LEU 111 H LEU 111 -0.355 7.566 4.521 879 HA LEU 111 HA LEU 111 1.254 5.372 3.573 880 HB2 LEU 111 1HB LEU 111 1.205 8.289 2.819 881 HB3 LEU 111 2HB LEU 111 2.170 7.059 2.004 882 HG LEU 111 HG LEU 111 -0.844 7.044 2.139 883 HD11 LEU 111 1HD1 LEU 111 -0.596 8.802 0.736 884 HD12 LEU 111 2HD1 LEU 111 -0.311 7.516 -0.436 885 HD13 LEU 111 3HD1 LEU 111 1.054 8.361 0.293 886 HD21 LEU 111 3HD2 LEU 111 -0.605 4.945 1.449 887 HD22 LEU 111 1HD2 LEU 111 1.142 5.128 1.295 888 HD23 LEU 111 2HD2 LEU 111 0.087 5.584 -0.043 889 H ILE 112 H ILE 112 1.664 8.137 5.650 890 HA ILE 112 HA ILE 112 4.471 8.298 5.639 891 HB ILE 112 HB ILE 112 2.319 9.232 7.455 892 HG12 ILE 112 1HG1 ILE 112 4.783 10.618 6.384 893 HG13 ILE 112 2HG1 ILE 112 3.256 10.529 5.512 894 HG21 ILE 112 1HG2 ILE 112 4.207 10.105 8.986 895 HG22 ILE 112 2HG2 ILE 112 3.650 8.444 9.183 896 HG23 ILE 112 3HG2 ILE 112 5.149 8.775 8.314 897 HD11 ILE 112 3HD1 ILE 112 3.444 12.653 6.614 898 HD12 ILE 112 1HD1 ILE 112 2.163 11.710 7.376 899 HD13 ILE 112 2HD1 ILE 112 3.734 11.864 8.164 900 HA PRO 113 HA PRO 113 4.386 5.423 9.524 901 HB2 PRO 113 1HB PRO 113 2.048 4.161 10.085 902 HB3 PRO 113 2HB PRO 113 2.462 5.751 10.738 903 HG2 PRO 113 1HG PRO 113 0.718 5.056 8.406 904 HG3 PRO 113 2HG PRO 113 0.451 6.256 9.685 905 HD2 PRO 113 1HD PRO 113 1.349 6.928 7.220 906 HD3 PRO 113 2HD PRO 113 1.825 7.812 8.684 907 H LEU 114 H LEU 114 2.261 4.464 6.861 908 HA LEU 114 HA LEU 114 2.555 1.730 6.900 909 HB2 LEU 114 1HB LEU 114 1.056 2.748 5.358 910 HB3 LEU 114 2HB LEU 114 2.366 3.629 4.574 911 HG LEU 114 HG LEU 114 3.246 1.275 3.943 912 HD11 LEU 114 1HD1 LEU 114 2.045 -0.433 4.695 913 HD12 LEU 114 2HD1 LEU 114 0.764 0.067 3.592 914 HD13 LEU 114 3HD1 LEU 114 0.761 0.636 5.261 915 HD21 LEU 114 3HD2 LEU 114 1.401 1.260 2.056 916 HD22 LEU 114 1HD2 LEU 114 2.632 2.521 2.131 917 HD23 LEU 114 2HD2 LEU 114 1.011 2.833 2.753 918 H ARG 115 H ARG 115 4.551 3.958 4.950 919 HA ARG 115 HA ARG 115 6.421 2.097 4.089 920 HB2 ARG 115 1HB ARG 115 7.907 4.007 3.680 921 HB3 ARG 115 2HB ARG 115 6.265 4.344 3.149 922 HG2 ARG 115 1HG ARG 115 5.859 5.699 5.095 923 HG3 ARG 115 2HG ARG 115 7.434 5.268 5.764 924 HD2 ARG 115 1HD ARG 115 8.581 6.464 4.071 925 HD3 ARG 115 2HD ARG 115 7.114 6.647 3.111 926 HE ARG 115 HE ARG 115 6.527 8.450 4.403 927 HH11 ARG 115 1HH1 ARG 115 9.117 6.710 5.947 928 HH12 ARG 115 2HH1 ARG 115 9.387 7.923 7.154 929 HH21 ARG 115 1HH2 ARG 115 6.873 10.054 5.987 930 HH22 ARG 115 2HH2 ARG 115 8.110 9.825 7.176 931 H GLN 116 H GLN 116 6.381 4.048 7.038 932 HA GLN 116 HA GLN 116 8.911 3.494 8.014 933 HB2 GLN 116 1HB GLN 116 6.289 4.082 9.342 934 HB3 GLN 116 2HB GLN 116 7.695 3.679 10.319 935 HG2 GLN 116 1HG GLN 116 8.893 5.535 9.039 936 HG3 GLN 116 2HG GLN 116 7.286 6.031 8.510 937 HE21 GLN 116 1HE2 GLN 116 8.044 8.005 9.674 938 HE22 GLN 116 2HE2 GLN 116 7.693 8.114 11.362 939 H ARG 117 H ARG 117 6.013 1.518 8.065 940 HA ARG 117 HA ARG 117 7.092 -0.460 9.836 941 HB2 ARG 117 1HB ARG 117 4.656 -0.323 8.077 942 HB3 ARG 117 2HB ARG 117 5.099 -1.812 8.901 943 HG2 ARG 117 1HG ARG 117 4.718 0.791 10.349 944 HG3 ARG 117 2HG ARG 117 3.403 -0.349 10.058 945 HD2 ARG 117 1HD ARG 117 5.973 -1.022 11.484 946 HD3 ARG 117 2HD ARG 117 4.465 -0.592 12.290 947 HE ARG 117 HE ARG 117 4.017 -2.730 10.510 948 HH11 ARG 117 1HH1 ARG 117 5.547 -2.011 13.554 949 HH12 ARG 117 2HH1 ARG 117 5.353 -3.616 14.179 950 HH21 ARG 117 1HH2 ARG 117 3.756 -4.846 11.322 951 HH22 ARG 117 2HH2 ARG 117 4.335 -5.228 12.908 952 H LEU 118 H LEU 118 6.740 -0.124 6.337 953 HA LEU 118 HA LEU 118 7.634 -2.721 5.667 954 HB2 LEU 118 1HB LEU 118 7.528 -0.132 4.146 955 HB3 LEU 118 2HB LEU 118 8.141 -1.620 3.426 956 HG LEU 118 HG LEU 118 5.362 -1.344 4.557 957 HD11 LEU 118 1HD1 LEU 118 5.694 -1.465 1.648 958 HD12 LEU 118 2HD1 LEU 118 6.245 0.036 2.390 959 HD13 LEU 118 3HD1 LEU 118 4.585 -0.507 2.629 960 HD21 LEU 118 3HD2 LEU 118 5.221 -3.526 4.189 961 HD22 LEU 118 1HD2 LEU 118 6.911 -3.551 3.684 962 HD23 LEU 118 2HD2 LEU 118 5.639 -3.279 2.493 963 H GLU 119 H GLU 119 9.295 0.307 6.282 964 HA GLU 119 HA GLU 119 11.828 -0.458 5.283 965 HB2 GLU 119 1HB GLU 119 10.990 1.608 7.315 966 HB3 GLU 119 2HB GLU 119 12.660 1.394 6.809 967 HG2 GLU 119 1HG GLU 119 10.571 1.798 4.730 968 HG3 GLU 119 2HG GLU 119 11.118 3.181 5.677 969 H GLU 120 H GLU 120 10.163 -1.073 8.269 970 HA GLU 120 HA GLU 120 12.583 -2.086 9.548 971 HB2 GLU 120 1HB GLU 120 10.603 -0.706 10.643 972 HB3 GLU 120 2HB GLU 120 9.889 -2.304 10.813 973 HG2 GLU 120 1HG GLU 120 12.103 -2.972 11.906 974 HG3 GLU 120 2HG GLU 120 12.410 -1.240 12.029 975 H ARG 121 H ARG 121 9.946 -3.202 7.708 976 HA ARG 121 HA ARG 121 9.997 -5.902 8.755 977 HB2 ARG 121 1HB ARG 121 8.391 -4.418 6.739 978 HB3 ARG 121 2HB ARG 121 8.515 -6.162 6.549 979 HG2 ARG 121 1HG ARG 121 7.798 -5.093 9.225 980 HG3 ARG 121 2HG ARG 121 6.581 -5.050 7.948 981 HD2 ARG 121 1HD ARG 121 8.066 -7.480 8.940 982 HD3 ARG 121 2HD ARG 121 6.371 -7.093 9.234 983 HE ARG 121 HE ARG 121 6.866 -7.191 6.459 984 HH11 ARG 121 1HH1 ARG 121 6.576 -9.262 9.242 985 HH12 ARG 121 2HH1 ARG 121 6.035 -10.631 8.330 986 HH21 ARG 121 1HH2 ARG 121 6.154 -8.987 5.246 987 HH22 ARG 121 2HH2 ARG 121 5.796 -10.474 6.057 988 H GLN 122 H GLN 122 11.149 -4.151 5.925 989 HA GLN 122 HA GLN 122 11.864 -6.071 4.170 990 HB2 GLN 122 1HB GLN 122 13.416 -4.601 3.286 991 HB3 GLN 122 2HB GLN 122 12.389 -3.514 4.212 992 HG2 GLN 122 1HG GLN 122 14.101 -3.894 6.108 993 HG3 GLN 122 2HG GLN 122 15.153 -4.471 4.816 994 HE21 GLN 122 1HE2 GLN 122 16.603 -2.893 4.607 995 HE22 GLN 122 2HE2 GLN 122 16.233 -1.234 4.299 996 H ARG 123 H ARG 123 13.356 -5.466 7.276 997 HA ARG 123 HA ARG 123 15.749 -6.651 7.255 998 HB2 ARG 123 1HB ARG 123 15.410 -7.372 9.518 999 HB3 ARG 123 2HB ARG 123 14.525 -5.869 9.290 1000 HG2 ARG 123 1HG ARG 123 12.504 -7.403 8.810 1001 HG3 ARG 123 2HG ARG 123 13.473 -8.648 9.599 1002 HD2 ARG 123 1HD ARG 123 13.452 -7.549 11.641 1003 HD3 ARG 123 2HD ARG 123 13.086 -5.988 10.909 1004 HE ARG 123 HE ARG 123 10.880 -7.454 10.367 1005 HH11 ARG 123 1HH1 ARG 123 12.650 -6.790 13.290 1006 HH12 ARG 123 2HH1 ARG 123 11.257 -6.904 14.314 1007 HH21 ARG 123 1HH2 ARG 123 9.039 -7.607 11.704 1008 HH22 ARG 123 2HH2 ARG 123 9.204 -7.369 13.411 1009 H ARG 124 H ARG 124 12.676 -8.394 7.099 1010 HA ARG 124 HA ARG 124 13.769 -10.996 7.199 1011 HB2 ARG 124 1HB ARG 124 11.154 -9.825 6.357 1012 HB3 ARG 124 2HB ARG 124 11.510 -11.489 5.915 1013 HG2 ARG 124 1HG ARG 124 11.773 -10.536 8.743 1014 HG3 ARG 124 2HG ARG 124 10.224 -11.063 8.081 1015 HD2 ARG 124 1HD ARG 124 12.627 -12.805 7.765 1016 HD3 ARG 124 2HD ARG 124 11.792 -12.757 9.318 1017 HE ARG 124 HE ARG 124 10.940 -14.117 6.994 1018 HH11 ARG 124 1HH1 ARG 124 9.719 -12.215 9.642 1019 HH12 ARG 124 2HH1 ARG 124 8.151 -12.952 9.619 1020 HH21 ARG 124 1HH2 ARG 124 8.880 -15.095 6.954 1021 HH22 ARG 124 2HH2 ARG 124 7.675 -14.591 8.091 1022 H ARG 125 H ARG 125 15.388 -11.447 5.801 1023 HA ARG 125 HA ARG 125 15.197 -10.688 3.011 1024 HB2 ARG 125 1HB ARG 125 17.298 -12.073 4.662 1025 HB3 ARG 125 2HB ARG 125 17.417 -11.982 2.910 1026 HG2 ARG 125 1HG ARG 125 17.056 -9.526 4.588 1027 HG3 ARG 125 2HG ARG 125 18.648 -10.222 4.283 1028 HD2 ARG 125 1HD ARG 125 18.298 -9.999 1.882 1029 HD3 ARG 125 2HD ARG 125 16.684 -9.349 2.167 1030 HE ARG 125 HE ARG 125 18.766 -7.857 3.465 1031 HH11 ARG 125 1HH1 ARG 125 16.992 -8.304 0.503 1032 HH12 ARG 125 2HH1 ARG 125 17.286 -6.695 -0.069 1033 HH21 ARG 125 1HH2 ARG 125 19.161 -5.736 2.723 1034 HH22 ARG 125 2HH2 ARG 125 18.521 -5.236 1.195 1035 H LYS 126 H LYS 126 13.996 -11.866 1.680 1036 HA LYS 126 HA LYS 126 14.060 -14.799 1.962 1037 HB2 LYS 126 1HB LYS 126 11.766 -12.944 1.453 1038 HB3 LYS 126 2HB LYS 126 11.724 -14.567 0.777 1039 HG2 LYS 126 1HG LYS 126 11.969 -13.841 3.688 1040 HG3 LYS 126 2HG LYS 126 10.555 -14.521 2.882 1041 HD2 LYS 126 1HD LYS 126 12.113 -16.467 2.246 1042 HD3 LYS 126 2HD LYS 126 13.187 -15.828 3.493 1043 HE2 LYS 126 1HE LYS 126 11.722 -17.609 4.346 1044 HE3 LYS 126 2HE LYS 126 11.445 -16.069 5.159 1045 HZ1 LYS 126 3HZ LYS 126 9.546 -17.645 3.981 1046 HZ2 LYS 126 1HZ LYS 126 9.765 -16.384 2.875 1047 HZ3 LYS 126 2HZ LYS 126 9.346 -16.040 4.477 1048 H GLN 127 H GLN 127 13.623 -15.975 -0.069 1049 HA GLN 127 HA GLN 127 15.372 -15.351 -2.087 1050 HB2 GLN 127 1HB GLN 127 14.413 -17.562 -1.883 1051 HB3 GLN 127 2HB GLN 127 12.809 -16.942 -2.253 1052 HG2 GLN 127 1HG GLN 127 13.442 -16.458 -4.505 1053 HG3 GLN 127 2HG GLN 127 15.128 -16.842 -4.164 1054 HE21 GLN 127 1HE2 GLN 127 12.062 -18.053 -5.037 1055 HE22 GLN 127 2HE2 GLN 127 12.495 -19.721 -5.151 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.171 28.097 -8.188 2 HA2 GLY 1 1HA GLY 1 4.123 25.731 -7.602 3 HA3 GLY 1 2HA GLY 1 5.578 26.428 -8.298 4 H SER 2 H SER 2 3.549 26.238 -5.538 5 HA SER 2 HA SER 2 4.587 28.499 -4.143 6 HB2 SER 2 1HB SER 2 2.396 27.465 -3.606 7 HB3 SER 2 2HB SER 2 3.238 26.030 -3.021 8 HG SER 2 HG SER 2 2.629 28.125 -1.624 9 H SER 3 H SER 3 5.889 28.399 -2.187 10 HA SER 3 HA SER 3 7.424 26.116 -1.510 11 HB2 SER 3 1HB SER 3 9.537 26.604 -2.433 12 HB3 SER 3 2HB SER 3 8.414 26.865 -3.767 13 HG SER 3 HG SER 3 9.156 28.816 -3.850 14 H GLY 4 H GLY 4 8.042 26.359 0.540 15 HA2 GLY 4 1HA GLY 4 9.066 28.834 1.565 16 HA3 GLY 4 2HA GLY 4 7.435 28.505 2.129 17 H SER 5 H SER 5 9.165 28.711 4.074 18 HA SER 5 HA SER 5 9.910 25.950 4.789 19 HB2 SER 5 1HB SER 5 11.885 27.343 4.640 20 HB3 SER 5 2HB SER 5 11.147 28.568 5.672 21 HG SER 5 HG SER 5 12.472 27.341 6.956 22 H SER 6 H SER 6 9.579 25.283 6.964 23 HA SER 6 HA SER 6 8.086 26.957 8.773 24 HB2 SER 6 1HB SER 6 6.774 24.592 7.423 25 HB3 SER 6 2HB SER 6 6.164 25.322 8.907 26 HG SER 6 HG SER 6 5.485 26.055 6.581 27 H GLY 7 H GLY 7 8.854 26.512 10.723 28 HA2 GLY 7 1HA GLY 7 9.394 23.717 11.440 29 HA3 GLY 7 2HA GLY 7 10.688 24.892 11.620 30 H MET 8 H MET 8 7.280 24.412 12.538 31 HA MET 8 HA MET 8 7.972 25.368 15.228 32 HB2 MET 8 1HB MET 8 6.740 27.071 13.680 33 HB3 MET 8 2HB MET 8 5.326 26.079 14.010 34 HG2 MET 8 1HG MET 8 6.070 26.410 16.503 35 HG3 MET 8 2HG MET 8 6.891 27.821 15.839 36 HE1 MET 8 3HE MET 8 4.750 28.870 17.951 37 HE2 MET 8 1HE MET 8 3.131 28.237 17.650 38 HE3 MET 8 2HE MET 8 4.473 27.127 17.925 39 H ALA 9 H ALA 9 6.924 24.357 16.908 40 HA ALA 9 HA ALA 9 6.084 21.735 16.596 41 HB1 ALA 9 3HB ALA 9 4.854 22.504 18.926 42 HB2 ALA 9 1HB ALA 9 6.523 21.954 18.774 43 HB3 ALA 9 2HB ALA 9 6.158 23.680 18.764 44 H SER 10 H SER 10 4.514 21.454 15.041 45 HA SER 10 HA SER 10 1.804 21.939 15.896 46 HB2 SER 10 1HB SER 10 2.911 23.282 13.425 47 HB3 SER 10 2HB SER 10 1.186 23.056 13.711 48 HG SER 10 HG SER 10 3.028 24.648 15.131 49 H SER 11 H SER 11 0.244 21.106 14.119 50 HA SER 11 HA SER 11 0.711 18.414 13.700 51 HB2 SER 11 1HB SER 11 -1.260 18.390 12.362 52 HB3 SER 11 2HB SER 11 -1.506 19.656 13.565 53 HG SER 11 HG SER 11 -1.698 19.913 10.986 54 H VAL 12 H VAL 12 0.677 17.333 11.475 55 HA VAL 12 HA VAL 12 3.079 17.593 10.208 56 HB VAL 12 HB VAL 12 0.493 16.721 8.911 57 HG11 VAL 12 1HG1 VAL 12 3.318 16.696 8.022 58 HG12 VAL 12 2HG1 VAL 12 2.348 15.264 7.672 59 HG13 VAL 12 3HG1 VAL 12 1.834 16.845 7.082 60 HG21 VAL 12 3HG2 VAL 12 0.680 14.733 9.943 61 HG22 VAL 12 1HG2 VAL 12 2.437 14.711 9.796 62 HG23 VAL 12 2HG2 VAL 12 1.672 15.618 11.101 63 H ASP 13 H ASP 13 3.984 18.909 8.746 64 HA ASP 13 HA ASP 13 2.432 21.193 7.816 65 HB2 ASP 13 1HB ASP 13 5.394 20.641 7.544 66 HB3 ASP 13 2HB ASP 13 4.582 22.164 7.196 67 H GLU 14 H GLU 14 2.568 21.913 5.588 68 HA GLU 14 HA GLU 14 1.844 19.965 3.744 69 HB2 GLU 14 1HB GLU 14 2.104 21.706 2.033 70 HB3 GLU 14 2HB GLU 14 1.279 22.321 3.459 71 HG2 GLU 14 1HG GLU 14 3.447 23.274 4.221 72 HG3 GLU 14 2HG GLU 14 4.146 22.785 2.678 73 H GLU 15 H GLU 15 4.998 21.338 4.465 74 HA GLU 15 HA GLU 15 6.414 20.365 2.256 75 HB2 GLU 15 1HB GLU 15 8.420 20.636 3.637 76 HB3 GLU 15 2HB GLU 15 7.347 22.019 3.792 77 HG2 GLU 15 1HG GLU 15 6.565 21.235 5.928 78 HG3 GLU 15 2HG GLU 15 7.501 19.751 5.762 79 H ALA 16 H ALA 16 5.728 18.883 5.398 80 HA ALA 16 HA ALA 16 7.277 16.591 5.172 81 HB1 ALA 16 3HB ALA 16 6.307 16.990 7.262 82 HB2 ALA 16 1HB ALA 16 4.685 17.132 6.584 83 HB3 ALA 16 2HB ALA 16 5.474 15.556 6.663 84 H LEU 17 H LEU 17 3.941 17.143 4.080 85 HA LEU 17 HA LEU 17 3.317 14.612 3.175 86 HB2 LEU 17 1HB LEU 17 2.571 17.217 1.854 87 HB3 LEU 17 2HB LEU 17 1.738 15.676 1.663 88 HG LEU 17 HG LEU 17 1.924 17.201 4.259 89 HD11 LEU 17 1HD1 LEU 17 -0.583 17.523 3.734 90 HD12 LEU 17 2HD1 LEU 17 -0.109 17.225 2.062 91 HD13 LEU 17 3HD1 LEU 17 0.594 18.577 2.950 92 HD21 LEU 17 3HD2 LEU 17 0.469 15.629 5.157 93 HD22 LEU 17 1HD2 LEU 17 1.573 14.646 4.196 94 HD23 LEU 17 2HD2 LEU 17 -0.030 15.037 3.572 95 H HIS 18 H HIS 18 4.948 17.221 1.394 96 HA HIS 18 HA HIS 18 5.223 16.033 -1.071 97 HB2 HIS 18 1HB HIS 18 5.915 18.347 -0.558 98 HB3 HIS 18 2HB HIS 18 7.294 17.726 0.344 99 HD1 HIS 18 1HD HIS 18 6.405 18.948 -2.901 100 HD2 HIS 18 2HD HIS 18 9.053 16.091 -1.454 101 HE1 HIS 18 1HE HIS 18 8.062 18.567 -4.754 102 HE2 HIS 18 2HE HIS 18 9.603 16.773 -3.888 103 H GLN 19 H GLN 19 7.435 15.743 1.702 104 HA GLN 19 HA GLN 19 9.385 14.152 0.612 105 HB2 GLN 19 1HB GLN 19 8.218 14.288 3.373 106 HB3 GLN 19 2HB GLN 19 9.478 13.119 2.999 107 HG2 GLN 19 1HG GLN 19 9.757 16.075 2.528 108 HG3 GLN 19 2HG GLN 19 10.273 15.262 4.005 109 HE21 GLN 19 1HE2 GLN 19 11.438 16.535 1.320 110 HE22 GLN 19 2HE2 GLN 19 12.795 15.507 1.023 111 H LEU 20 H LEU 20 6.167 13.232 1.655 112 HA LEU 20 HA LEU 20 6.629 10.411 1.422 113 HB2 LEU 20 1HB LEU 20 4.945 10.997 2.930 114 HB3 LEU 20 2HB LEU 20 4.203 12.128 1.801 115 HG LEU 20 HG LEU 20 3.757 9.904 0.432 116 HD11 LEU 20 1HD1 LEU 20 4.782 8.286 1.758 117 HD12 LEU 20 2HD1 LEU 20 3.075 8.157 2.181 118 HD13 LEU 20 3HD1 LEU 20 4.188 9.001 3.257 119 HD21 LEU 20 3HD2 LEU 20 1.549 9.929 1.255 120 HD22 LEU 20 1HD2 LEU 20 2.137 11.584 1.422 121 HD23 LEU 20 2HD2 LEU 20 2.060 10.530 2.834 122 H TYR 21 H TYR 21 5.584 12.965 -0.692 123 HA TYR 21 HA TYR 21 4.425 11.291 -2.690 124 HB2 TYR 21 1HB TYR 21 5.260 14.163 -2.547 125 HB3 TYR 21 2HB TYR 21 4.895 13.450 -4.115 126 HD1 TYR 21 1HD TYR 21 3.347 13.277 -0.709 127 HD2 TYR 21 2HD TYR 21 2.794 14.006 -4.864 128 HE1 TYR 21 1HE TYR 21 0.950 13.658 -0.317 129 HE2 TYR 21 2HE TYR 21 0.395 14.391 -4.483 130 HH TYR 21 HH TYR 21 -1.160 13.572 -1.588 131 H LEU 22 H LEU 22 7.642 12.259 -1.896 132 HA LEU 22 HA LEU 22 8.756 11.650 -4.485 133 HB2 LEU 22 1HB LEU 22 10.050 12.177 -1.815 134 HB3 LEU 22 2HB LEU 22 10.932 11.947 -3.323 135 HG LEU 22 HG LEU 22 8.911 14.145 -2.999 136 HD11 LEU 22 1HD1 LEU 22 11.832 14.185 -2.268 137 HD12 LEU 22 2HD1 LEU 22 10.458 14.496 -1.208 138 HD13 LEU 22 3HD1 LEU 22 10.846 15.628 -2.504 139 HD21 LEU 22 3HD2 LEU 22 11.317 14.438 -4.665 140 HD22 LEU 22 1HD2 LEU 22 9.642 14.884 -4.994 141 HD23 LEU 22 2HD2 LEU 22 10.167 13.213 -5.204 142 H TRP 23 H TRP 23 8.840 10.153 -1.259 143 HA TRP 23 HA TRP 23 10.428 7.994 -1.656 144 HB2 TRP 23 1HB TRP 23 9.535 8.154 0.489 145 HB3 TRP 23 2HB TRP 23 7.884 8.318 -0.103 146 HD1 TRP 23 HD TRP 23 10.610 5.540 -0.127 147 HE1 TRP 23 1HE TRP 23 9.437 3.289 0.300 148 HE3 TRP 23 3HE TRP 23 5.776 7.182 0.152 149 HZ2 TRP 23 2HZ TRP 23 6.811 2.335 0.701 150 HZ3 TRP 23 3HZ TRP 23 3.993 5.536 0.560 151 HH2 TRP 23 HH TRP 23 4.502 3.163 0.828 152 H VAL 24 H VAL 24 7.172 8.442 -2.892 153 HA VAL 24 HA VAL 24 6.764 5.789 -3.794 154 HB VAL 24 HB VAL 24 5.535 8.387 -4.719 155 HG11 VAL 24 1HG1 VAL 24 5.491 5.888 -6.013 156 HG12 VAL 24 2HG1 VAL 24 3.912 6.091 -5.253 157 HG13 VAL 24 3HG1 VAL 24 4.516 7.312 -6.373 158 HG21 VAL 24 3HG2 VAL 24 4.480 6.212 -2.912 159 HG22 VAL 24 1HG2 VAL 24 5.070 7.790 -2.391 160 HG23 VAL 24 2HG2 VAL 24 3.619 7.677 -3.386 161 H ASP 25 H ASP 25 8.012 8.703 -5.378 162 HA ASP 25 HA ASP 25 8.232 7.782 -7.975 163 HB2 ASP 25 1HB ASP 25 8.780 10.111 -6.943 164 HB3 ASP 25 2HB ASP 25 10.407 9.460 -6.763 165 H ASN 26 H ASN 26 10.665 7.553 -5.384 166 HA ASN 26 HA ASN 26 12.729 6.337 -6.665 167 HB2 ASN 26 1HB ASN 26 12.891 6.884 -4.324 168 HB3 ASN 26 2HB ASN 26 11.635 5.720 -3.915 169 HD21 ASN 26 1HD2 ASN 26 12.411 3.984 -2.986 170 HD22 ASN 26 2HD2 ASN 26 13.924 3.224 -3.334 171 H ILE 27 H ILE 27 9.940 4.636 -5.243 172 HA ILE 27 HA ILE 27 10.722 2.075 -6.180 173 HB ILE 27 HB ILE 27 7.977 3.043 -5.372 174 HG12 ILE 27 1HG1 ILE 27 9.945 1.464 -3.717 175 HG13 ILE 27 2HG1 ILE 27 9.872 3.222 -3.673 176 HG21 ILE 27 1HG2 ILE 27 9.012 0.217 -5.476 177 HG22 ILE 27 2HG2 ILE 27 7.368 0.747 -5.126 178 HG23 ILE 27 3HG2 ILE 27 8.035 0.956 -6.745 179 HD11 ILE 27 3HD1 ILE 27 8.225 1.280 -2.339 180 HD12 ILE 27 1HD1 ILE 27 8.353 3.020 -2.079 181 HD13 ILE 27 2HD1 ILE 27 7.247 2.390 -3.300 182 HA PRO 28 HA PRO 28 9.523 2.411 -10.421 183 HB2 PRO 28 1HB PRO 28 9.536 -0.239 -11.008 184 HB3 PRO 28 2HB PRO 28 11.015 0.707 -10.808 185 HG2 PRO 28 1HG PRO 28 9.649 -1.108 -8.858 186 HG3 PRO 28 2HG PRO 28 11.378 -0.953 -9.221 187 HD2 PRO 28 1HD PRO 28 10.236 0.193 -7.049 188 HD3 PRO 28 2HD PRO 28 11.616 0.919 -7.898 189 H LEU 29 H LEU 29 7.421 3.115 -10.481 190 HA LEU 29 HA LEU 29 5.359 1.019 -10.402 191 HB2 LEU 29 1HB LEU 29 5.353 3.716 -9.108 192 HB3 LEU 29 2HB LEU 29 3.837 2.971 -9.613 193 HG LEU 29 HG LEU 29 5.758 1.577 -7.767 194 HD11 LEU 29 1HD1 LEU 29 4.065 3.881 -7.222 195 HD12 LEU 29 2HD1 LEU 29 5.338 3.151 -6.245 196 HD13 LEU 29 3HD1 LEU 29 3.702 2.495 -6.192 197 HD21 LEU 29 3HD2 LEU 29 3.525 0.699 -9.090 198 HD22 LEU 29 1HD2 LEU 29 2.880 1.162 -7.515 199 HD23 LEU 29 2HD2 LEU 29 4.192 -0.012 -7.619 200 H SER 30 H SER 30 6.087 1.200 -12.762 201 HA SER 30 HA SER 30 5.763 3.226 -14.490 202 HB2 SER 30 1HB SER 30 6.184 0.712 -14.957 203 HB3 SER 30 2HB SER 30 4.433 0.605 -15.135 204 HG SER 30 HG SER 30 4.731 1.324 -17.075 205 H ARG 31 H ARG 31 3.041 1.149 -13.486 206 HA ARG 31 HA ARG 31 0.921 2.161 -14.721 207 HB2 ARG 31 1HB ARG 31 -0.391 1.913 -12.585 208 HB3 ARG 31 2HB ARG 31 0.578 0.516 -13.033 209 HG2 ARG 31 1HG ARG 31 2.315 1.258 -11.439 210 HG3 ARG 31 2HG ARG 31 1.250 2.575 -10.944 211 HD2 ARG 31 1HD ARG 31 1.061 -0.336 -10.406 212 HD3 ARG 31 2HD ARG 31 0.705 1.034 -9.354 213 HE ARG 31 HE ARG 31 -1.451 1.105 -10.202 214 HH11 ARG 31 1HH1 ARG 31 0.481 -1.217 -11.933 215 HH12 ARG 31 2HH1 ARG 31 -0.875 -1.953 -12.721 216 HH21 ARG 31 1HH2 ARG 31 -3.245 0.145 -11.234 217 HH22 ARG 31 2HH2 ARG 31 -2.994 -1.177 -12.324 218 HA PRO 32 HA PRO 32 1.559 6.571 -13.818 219 HB2 PRO 32 1HB PRO 32 0.168 7.426 -15.987 220 HB3 PRO 32 2HB PRO 32 1.859 6.917 -16.070 221 HG2 PRO 32 1HG PRO 32 -0.616 5.385 -16.768 222 HG3 PRO 32 2HG PRO 32 0.925 5.477 -17.639 223 HD2 PRO 32 1HD PRO 32 0.273 3.384 -16.051 224 HD3 PRO 32 2HD PRO 32 1.945 3.945 -16.252 225 H LYS 33 H LYS 33 -0.089 8.399 -13.745 226 HA LYS 33 HA LYS 33 -2.856 7.761 -13.503 227 HB2 LYS 33 1HB LYS 33 -3.085 8.132 -11.089 228 HB3 LYS 33 2HB LYS 33 -2.094 6.720 -11.428 229 HG2 LYS 33 1HG LYS 33 -0.786 9.361 -10.968 230 HG3 LYS 33 2HG LYS 33 -1.374 8.419 -9.596 231 HD2 LYS 33 1HD LYS 33 0.043 6.590 -10.136 232 HD3 LYS 33 2HD LYS 33 0.445 7.281 -11.710 233 HE2 LYS 33 1HE LYS 33 2.315 7.686 -10.329 234 HE3 LYS 33 2HE LYS 33 1.462 9.224 -10.448 235 HZ1 LYS 33 3HZ LYS 33 2.247 8.494 -8.161 236 HZ2 LYS 33 1HZ LYS 33 0.988 7.364 -8.200 237 HZ3 LYS 33 2HZ LYS 33 0.643 9.017 -8.289 238 H ARG 34 H ARG 34 -4.123 9.581 -13.448 239 HA ARG 34 HA ARG 34 -3.035 12.000 -14.303 240 HB2 ARG 34 1HB ARG 34 -5.389 11.335 -14.643 241 HB3 ARG 34 2HB ARG 34 -5.689 11.554 -12.924 242 HG2 ARG 34 1HG ARG 34 -5.108 13.938 -13.155 243 HG3 ARG 34 2HG ARG 34 -4.907 13.694 -14.892 244 HD2 ARG 34 1HD ARG 34 -7.345 12.678 -14.644 245 HD3 ARG 34 2HD ARG 34 -7.380 13.753 -13.247 246 HE ARG 34 HE ARG 34 -7.512 15.535 -14.673 247 HH11 ARG 34 1HH1 ARG 34 -6.435 12.741 -16.449 248 HH12 ARG 34 2HH1 ARG 34 -6.535 13.521 -17.992 249 HH21 ARG 34 1HH2 ARG 34 -7.648 16.574 -16.699 250 HH22 ARG 34 2HH2 ARG 34 -7.224 15.702 -18.134 251 H ASN 35 H ASN 35 -4.072 10.992 -11.065 252 HA ASN 35 HA ASN 35 -2.497 13.217 -9.963 253 HB2 ASN 35 1HB ASN 35 -5.082 13.513 -9.931 254 HB3 ASN 35 2HB ASN 35 -5.039 12.320 -8.636 255 HD21 ASN 35 1HD2 ASN 35 -3.444 15.327 -9.629 256 HD22 ASN 35 2HD2 ASN 35 -3.350 16.002 -8.041 257 H LEU 36 H LEU 36 -2.318 12.835 -7.447 258 HA LEU 36 HA LEU 36 -1.104 10.216 -7.157 259 HB2 LEU 36 1HB LEU 36 -0.160 12.512 -6.394 260 HB3 LEU 36 2HB LEU 36 -1.215 12.286 -5.000 261 HG LEU 36 HG LEU 36 1.072 11.610 -4.503 262 HD11 LEU 36 1HD1 LEU 36 0.499 9.752 -3.313 263 HD12 LEU 36 2HD1 LEU 36 -0.376 9.021 -4.658 264 HD13 LEU 36 3HD1 LEU 36 -1.109 10.336 -3.741 265 HD21 LEU 36 3HD2 LEU 36 1.347 10.845 -7.016 266 HD22 LEU 36 1HD2 LEU 36 0.885 9.282 -6.341 267 HD23 LEU 36 2HD2 LEU 36 2.306 10.124 -5.721 268 H SER 37 H SER 37 -3.442 12.179 -5.313 269 HA SER 37 HA SER 37 -4.219 9.994 -3.646 270 HB2 SER 37 1HB SER 37 -4.370 12.472 -3.069 271 HB3 SER 37 2HB SER 37 -5.798 12.528 -4.102 272 HG SER 37 HG SER 37 -6.903 11.393 -2.672 273 H ARG 38 H ARG 38 -5.468 11.447 -6.592 274 HA ARG 38 HA ARG 38 -7.995 10.430 -6.767 275 HB2 ARG 38 1HB ARG 38 -6.988 11.872 -8.478 276 HB3 ARG 38 2HB ARG 38 -5.954 10.548 -8.995 277 HG2 ARG 38 1HG ARG 38 -8.224 9.307 -9.360 278 HG3 ARG 38 2HG ARG 38 -8.874 10.947 -9.413 279 HD2 ARG 38 1HD ARG 38 -7.041 11.435 -11.118 280 HD3 ARG 38 2HD ARG 38 -6.818 9.689 -11.208 281 HE ARG 38 HE ARG 38 -8.695 9.579 -12.494 282 HH11 ARG 38 1HH1 ARG 38 -8.765 12.554 -10.687 283 HH12 ARG 38 2HH1 ARG 38 -10.198 13.143 -11.462 284 HH21 ARG 38 1HH2 ARG 38 -10.583 10.344 -13.522 285 HH22 ARG 38 2HH2 ARG 38 -11.232 11.885 -13.074 286 H ASP 39 H ASP 39 -4.963 8.722 -7.355 287 HA ASP 39 HA ASP 39 -6.407 6.255 -7.946 288 HB2 ASP 39 1HB ASP 39 -3.602 7.199 -8.287 289 HB3 ASP 39 2HB ASP 39 -3.862 5.470 -8.079 290 H PHE 40 H PHE 40 -3.638 7.110 -5.861 291 HA PHE 40 HA PHE 40 -3.444 4.965 -4.262 292 HB2 PHE 40 1HB PHE 40 -3.145 7.877 -3.728 293 HB3 PHE 40 2HB PHE 40 -3.150 6.798 -2.336 294 HD1 PHE 40 2HD PHE 40 -1.560 7.126 -5.693 295 HD2 PHE 40 1HD PHE 40 -1.154 5.907 -1.635 296 HE1 PHE 40 2HE PHE 40 0.814 6.614 -6.088 297 HE2 PHE 40 1HE PHE 40 1.221 5.393 -2.023 298 HZ PHE 40 HZ PHE 40 2.207 5.745 -4.252 299 H SER 41 H SER 41 -5.930 7.460 -3.982 300 HA SER 41 HA SER 41 -7.183 7.015 -1.672 301 HB2 SER 41 1HB SER 41 -9.353 7.413 -2.801 302 HB3 SER 41 2HB SER 41 -8.098 8.514 -3.368 303 HG SER 41 HG SER 41 -8.138 7.597 -5.285 304 H ASP 42 H ASP 42 -7.472 4.870 -4.482 305 HA ASP 42 HA ASP 42 -9.126 2.989 -3.060 306 HB2 ASP 42 1HB ASP 42 -7.695 2.444 -5.654 307 HB3 ASP 42 2HB ASP 42 -9.207 1.754 -5.071 308 H GLY 43 H GLY 43 -8.541 0.789 -2.611 309 HA2 GLY 43 1HA GLY 43 -5.848 0.593 -1.556 310 HA3 GLY 43 2HA GLY 43 -7.150 -0.564 -1.320 311 H VAL 44 H VAL 44 -5.941 0.663 -4.403 312 HA VAL 44 HA VAL 44 -5.095 -2.084 -5.060 313 HB VAL 44 HB VAL 44 -6.087 0.050 -6.955 314 HG11 VAL 44 1HG1 VAL 44 -5.683 -2.838 -7.635 315 HG12 VAL 44 2HG1 VAL 44 -5.785 -1.441 -8.709 316 HG13 VAL 44 3HG1 VAL 44 -4.342 -1.697 -7.727 317 HG21 VAL 44 3HG2 VAL 44 -8.107 -1.168 -7.138 318 HG22 VAL 44 1HG2 VAL 44 -7.451 -2.532 -6.233 319 HG23 VAL 44 2HG2 VAL 44 -7.790 -1.010 -5.410 320 H LEU 45 H LEU 45 -4.370 1.350 -5.511 321 HA LEU 45 HA LEU 45 -1.942 0.943 -6.925 322 HB2 LEU 45 1HB LEU 45 -3.442 3.056 -6.694 323 HB3 LEU 45 2HB LEU 45 -2.470 3.367 -5.257 324 HG LEU 45 HG LEU 45 -1.438 4.635 -6.910 325 HD11 LEU 45 1HD1 LEU 45 0.073 2.041 -7.093 326 HD12 LEU 45 2HD1 LEU 45 0.096 3.081 -5.670 327 HD13 LEU 45 3HD1 LEU 45 0.712 3.681 -7.209 328 HD21 LEU 45 3HD2 LEU 45 -1.407 4.212 -9.137 329 HD22 LEU 45 1HD2 LEU 45 -2.774 3.183 -8.707 330 HD23 LEU 45 2HD2 LEU 45 -1.171 2.477 -8.918 331 H VAL 46 H VAL 46 -2.660 1.675 -3.522 332 HA VAL 46 HA VAL 46 -0.107 1.898 -2.518 333 HB VAL 46 HB VAL 46 -2.439 0.541 -1.157 334 HG11 VAL 46 1HG1 VAL 46 -1.337 0.748 0.857 335 HG12 VAL 46 2HG1 VAL 46 -0.006 0.350 -0.231 336 HG13 VAL 46 3HG1 VAL 46 -0.271 2.022 0.264 337 HG21 VAL 46 3HG2 VAL 46 -2.012 3.266 -1.950 338 HG22 VAL 46 1HG2 VAL 46 -3.413 2.537 -1.165 339 HG23 VAL 46 2HG2 VAL 46 -2.077 3.151 -0.192 340 H ALA 47 H ALA 47 -2.026 -1.094 -2.781 341 HA ALA 47 HA ALA 47 -0.402 -2.968 -1.739 342 HB1 ALA 47 3HB ALA 47 -2.362 -3.804 -2.634 343 HB2 ALA 47 1HB ALA 47 -2.101 -3.029 -4.198 344 HB3 ALA 47 2HB ALA 47 -1.147 -4.441 -3.743 345 H GLU 48 H GLU 48 -0.140 -1.930 -5.147 346 HA GLU 48 HA GLU 48 2.029 -3.325 -5.969 347 HB2 GLU 48 1HB GLU 48 1.301 -0.454 -6.526 348 HB3 GLU 48 2HB GLU 48 2.641 -1.254 -7.334 349 HG2 GLU 48 1HG GLU 48 -0.226 -2.164 -7.407 350 HG3 GLU 48 2HG GLU 48 0.595 -1.259 -8.678 351 H VAL 49 H VAL 49 2.178 -0.215 -4.240 352 HA VAL 49 HA VAL 49 4.878 0.184 -4.110 353 HB VAL 49 HB VAL 49 2.910 0.639 -1.862 354 HG11 VAL 49 1HG1 VAL 49 5.489 2.110 -2.320 355 HG12 VAL 49 2HG1 VAL 49 4.457 2.117 -0.888 356 HG13 VAL 49 3HG1 VAL 49 5.392 0.678 -1.297 357 HG21 VAL 49 3HG2 VAL 49 3.771 2.356 -4.182 358 HG22 VAL 49 1HG2 VAL 49 2.147 1.777 -3.809 359 HG23 VAL 49 2HG2 VAL 49 2.915 2.981 -2.773 360 H ILE 50 H ILE 50 2.945 -2.014 -2.140 361 HA ILE 50 HA ILE 50 5.143 -2.788 -0.465 362 HB ILE 50 HB ILE 50 2.518 -4.225 -0.859 363 HG12 ILE 50 1HG1 ILE 50 3.091 -2.364 1.420 364 HG13 ILE 50 2HG1 ILE 50 2.535 -1.711 -0.117 365 HG21 ILE 50 1HG2 ILE 50 3.318 -4.602 1.730 366 HG22 ILE 50 2HG2 ILE 50 3.549 -5.750 0.412 367 HG23 ILE 50 3HG2 ILE 50 4.847 -4.641 0.852 368 HD11 ILE 50 3HD1 ILE 50 0.583 -3.277 0.047 369 HD12 ILE 50 1HD1 ILE 50 1.106 -3.633 1.692 370 HD13 ILE 50 2HD1 ILE 50 0.633 -1.992 1.253 371 H LYS 51 H LYS 51 3.433 -4.232 -3.214 372 HA LYS 51 HA LYS 51 4.408 -6.715 -3.425 373 HB2 LYS 51 1HB LYS 51 3.042 -5.376 -5.134 374 HB3 LYS 51 2HB LYS 51 4.589 -4.867 -5.798 375 HG2 LYS 51 1HG LYS 51 4.172 -6.664 -7.125 376 HG3 LYS 51 2HG LYS 51 5.046 -7.464 -5.816 377 HD2 LYS 51 1HD LYS 51 3.052 -8.283 -4.853 378 HD3 LYS 51 2HD LYS 51 2.048 -7.211 -5.832 379 HE2 LYS 51 1HE LYS 51 3.808 -9.259 -7.126 380 HE3 LYS 51 2HE LYS 51 2.234 -9.715 -6.475 381 HZ1 LYS 51 3HZ LYS 51 1.780 -7.445 -7.955 382 HZ2 LYS 51 1HZ LYS 51 1.383 -9.031 -8.389 383 HZ3 LYS 51 2HZ LYS 51 2.850 -8.358 -8.895 384 H PHE 52 H PHE 52 6.255 -3.781 -4.115 385 HA PHE 52 HA PHE 52 8.553 -4.880 -5.186 386 HB2 PHE 52 1HB PHE 52 8.329 -2.508 -5.152 387 HB3 PHE 52 2HB PHE 52 8.170 -2.480 -3.399 388 HD1 PHE 52 2HD PHE 52 10.129 -2.824 -1.968 389 HD2 PHE 52 1HD PHE 52 10.466 -2.611 -6.206 390 HE1 PHE 52 2HE PHE 52 12.552 -2.455 -1.754 391 HE2 PHE 52 1HE PHE 52 12.890 -2.242 -5.998 392 HZ PHE 52 HZ PHE 52 13.936 -2.162 -3.770 393 H TYR 53 H TYR 53 7.948 -4.161 -1.746 394 HA TYR 53 HA TYR 53 10.312 -5.532 -0.893 395 HB2 TYR 53 1HB TYR 53 7.933 -4.495 0.660 396 HB3 TYR 53 2HB TYR 53 9.388 -5.156 1.397 397 HD1 TYR 53 2HD TYR 53 7.956 -2.313 -0.411 398 HD2 TYR 53 1HD TYR 53 11.473 -3.908 1.375 399 HE1 TYR 53 2HE TYR 53 9.001 -0.088 -0.495 400 HE2 TYR 53 1HE TYR 53 12.527 -1.688 1.298 401 HH TYR 53 HH TYR 53 12.319 0.406 0.043 402 H PHE 54 H PHE 54 6.831 -6.230 -0.716 403 HA PHE 54 HA PHE 54 7.510 -9.076 -0.407 404 HB2 PHE 54 1HB PHE 54 5.182 -7.720 0.965 405 HB3 PHE 54 2HB PHE 54 5.710 -9.387 1.166 406 HD1 PHE 54 1HD PHE 54 8.042 -9.772 2.144 407 HD2 PHE 54 2HD PHE 54 5.981 -6.055 2.368 408 HE1 PHE 54 1HE PHE 54 9.478 -9.093 4.023 409 HE2 PHE 54 2HE PHE 54 7.415 -5.369 4.246 410 HZ PHE 54 HZ PHE 54 9.166 -6.888 5.076 411 HA PRO 55 HA PRO 55 4.891 -8.773 -4.114 412 HB2 PRO 55 1HB PRO 55 5.852 -11.055 -5.227 413 HB3 PRO 55 2HB PRO 55 6.681 -9.499 -5.358 414 HG2 PRO 55 1HG PRO 55 7.216 -11.781 -3.495 415 HG3 PRO 55 2HG PRO 55 8.368 -10.779 -4.397 416 HD2 PRO 55 1HD PRO 55 7.841 -10.386 -1.770 417 HD3 PRO 55 2HD PRO 55 8.259 -9.056 -2.870 418 H LYS 56 H LYS 56 5.464 -11.529 -1.985 419 HA LYS 56 HA LYS 56 3.193 -13.022 -2.840 420 HB2 LYS 56 1HB LYS 56 5.170 -13.204 -0.625 421 HB3 LYS 56 2HB LYS 56 3.646 -14.057 -0.419 422 HG2 LYS 56 1HG LYS 56 5.435 -14.397 -2.812 423 HG3 LYS 56 2HG LYS 56 5.503 -15.422 -1.377 424 HD2 LYS 56 1HD LYS 56 2.919 -15.004 -2.834 425 HD3 LYS 56 2HD LYS 56 4.093 -16.190 -3.409 426 HE2 LYS 56 1HE LYS 56 4.024 -17.337 -1.278 427 HE3 LYS 56 2HE LYS 56 2.942 -16.109 -0.622 428 HZ1 LYS 56 3HZ LYS 56 1.368 -17.559 -1.246 429 HZ2 LYS 56 1HZ LYS 56 2.360 -18.342 -2.371 430 HZ3 LYS 56 2HZ LYS 56 1.590 -16.895 -2.786 431 H MET 57 H MET 57 3.837 -11.030 0.042 432 HA MET 57 HA MET 57 1.502 -11.266 1.410 433 HB2 MET 57 1HB MET 57 3.299 -8.908 0.958 434 HB3 MET 57 2HB MET 57 1.836 -8.730 1.917 435 HG2 MET 57 1HG MET 57 3.752 -10.923 2.550 436 HG3 MET 57 2HG MET 57 4.107 -9.274 3.060 437 HE1 MET 57 3HE MET 57 3.352 -8.660 5.682 438 HE2 MET 57 1HE MET 57 2.591 -7.824 4.328 439 HE3 MET 57 2HE MET 57 1.608 -8.396 5.675 440 H VAL 58 H VAL 58 2.066 -9.239 -1.435 441 HA VAL 58 HA VAL 58 -0.627 -8.211 -1.434 442 HB VAL 58 HB VAL 58 1.499 -8.030 -3.574 443 HG11 VAL 58 1HG1 VAL 58 -0.533 -7.591 -4.644 444 HG12 VAL 58 2HG1 VAL 58 -1.189 -6.736 -3.246 445 HG13 VAL 58 3HG1 VAL 58 0.083 -5.995 -4.217 446 HG21 VAL 58 3HG2 VAL 58 0.706 -5.894 -1.611 447 HG22 VAL 58 1HG2 VAL 58 2.027 -7.022 -1.308 448 HG23 VAL 58 2HG2 VAL 58 2.102 -5.926 -2.688 449 H GLU 59 H GLU 59 -2.345 -9.174 -2.282 450 HA GLU 59 HA GLU 59 -1.915 -11.343 -4.230 451 HB2 GLU 59 1HB GLU 59 -3.839 -11.028 -1.967 452 HB3 GLU 59 2HB GLU 59 -4.337 -11.957 -3.374 453 HG2 GLU 59 1HG GLU 59 -3.464 -13.630 -2.124 454 HG3 GLU 59 2HG GLU 59 -2.006 -13.132 -2.980 455 H MET 60 H MET 60 -1.979 -9.909 -6.010 456 HA MET 60 HA MET 60 -4.020 -8.050 -6.506 457 HB2 MET 60 1HB MET 60 -1.966 -9.434 -8.156 458 HB3 MET 60 2HB MET 60 -3.293 -8.650 -9.001 459 HG2 MET 60 1HG MET 60 -1.781 -7.148 -6.918 460 HG3 MET 60 2HG MET 60 -1.090 -7.358 -8.525 461 HE1 MET 60 3HE MET 60 -3.272 -4.112 -7.074 462 HE2 MET 60 1HE MET 60 -4.543 -5.317 -6.861 463 HE3 MET 60 2HE MET 60 -2.930 -5.612 -6.211 464 H HIS 61 H HIS 61 -3.676 -11.439 -7.511 465 HA HIS 61 HA HIS 61 -5.746 -11.843 -9.180 466 HB2 HIS 61 1HB HIS 61 -4.181 -13.576 -8.123 467 HB3 HIS 61 2HB HIS 61 -5.363 -13.680 -6.822 468 HD1 HIS 61 1HD HIS 61 -5.768 -13.664 -10.612 469 HD2 HIS 61 2HD HIS 61 -6.815 -15.906 -7.275 470 HE1 HIS 61 1HE HIS 61 -7.183 -15.550 -11.486 471 HE2 HIS 61 2HE HIS 61 -7.876 -16.844 -9.439 472 H ASN 62 H ASN 62 -5.995 -11.097 -5.778 473 HA ASN 62 HA ASN 62 -8.876 -11.531 -5.773 474 HB2 ASN 62 1HB ASN 62 -6.816 -10.959 -3.680 475 HB3 ASN 62 2HB ASN 62 -8.501 -10.575 -3.342 476 HD21 ASN 62 1HD2 ASN 62 -6.303 -12.783 -2.731 477 HD22 ASN 62 2HD2 ASN 62 -7.263 -14.220 -2.695 478 H TYR 63 H TYR 63 -6.570 -8.869 -5.324 479 HA TYR 63 HA TYR 63 -8.659 -6.893 -5.188 480 HB2 TYR 63 1HB TYR 63 -5.688 -6.467 -5.549 481 HB3 TYR 63 2HB TYR 63 -6.868 -5.274 -5.017 482 HD1 TYR 63 2HD TYR 63 -8.255 -6.044 -2.862 483 HD2 TYR 63 1HD TYR 63 -4.395 -7.480 -3.932 484 HE1 TYR 63 2HE TYR 63 -7.849 -6.682 -0.522 485 HE2 TYR 63 1HE TYR 63 -3.980 -8.123 -1.595 486 HH TYR 63 HH TYR 63 -6.452 -7.637 0.911 487 H VAL 64 H VAL 64 -9.533 -5.780 -6.814 488 HA VAL 64 HA VAL 64 -8.158 -5.728 -9.410 489 HB VAL 64 HB VAL 64 -11.079 -6.390 -9.011 490 HG11 VAL 64 1HG1 VAL 64 -10.375 -4.886 -10.993 491 HG12 VAL 64 2HG1 VAL 64 -9.668 -6.363 -11.651 492 HG13 VAL 64 3HG1 VAL 64 -11.396 -6.289 -11.307 493 HG21 VAL 64 3HG2 VAL 64 -10.207 -8.433 -10.421 494 HG22 VAL 64 1HG2 VAL 64 -8.664 -7.994 -9.689 495 HG23 VAL 64 2HG2 VAL 64 -10.040 -8.405 -8.666 496 HA PRO 65 HA PRO 65 -9.109 -1.425 -9.208 497 HB2 PRO 65 1HB PRO 65 -8.694 -0.812 -11.820 498 HB3 PRO 65 2HB PRO 65 -7.376 -1.135 -10.688 499 HG2 PRO 65 1HG PRO 65 -8.625 -2.955 -12.710 500 HG3 PRO 65 2HG PRO 65 -6.911 -2.728 -12.317 501 HD2 PRO 65 1HD PRO 65 -8.355 -4.818 -11.380 502 HD3 PRO 65 2HD PRO 65 -7.027 -4.085 -10.457 503 H ALA 66 H ALA 66 -11.264 -1.162 -8.803 504 HA ALA 66 HA ALA 66 -13.180 -1.635 -10.967 505 HB1 ALA 66 3HB ALA 66 -13.356 -2.254 -8.345 506 HB2 ALA 66 1HB ALA 66 -14.173 -0.691 -8.362 507 HB3 ALA 66 2HB ALA 66 -14.751 -1.999 -9.395 508 H ASN 67 H ASN 67 -15.001 0.023 -11.092 509 HA ASN 67 HA ASN 67 -13.873 2.740 -10.915 510 HB2 ASN 67 1HB ASN 67 -14.067 1.784 -13.255 511 HB3 ASN 67 2HB ASN 67 -15.814 1.804 -13.032 512 HD21 ASN 67 1HD2 ASN 67 -15.858 3.228 -14.855 513 HD22 ASN 67 2HD2 ASN 67 -15.533 4.912 -14.644 514 H SER 68 H SER 68 -15.281 1.749 -8.796 515 HA SER 68 HA SER 68 -17.519 3.566 -8.707 516 HB2 SER 68 1HB SER 68 -19.203 1.926 -8.108 517 HB3 SER 68 2HB SER 68 -18.514 1.492 -9.672 518 HG SER 68 HG SER 68 -17.019 0.173 -8.194 519 H LEU 69 H LEU 69 -17.364 4.560 -6.819 520 HA LEU 69 HA LEU 69 -15.623 4.141 -4.810 521 HB2 LEU 69 1HB LEU 69 -17.440 5.965 -5.134 522 HB3 LEU 69 2HB LEU 69 -18.421 4.930 -4.097 523 HG LEU 69 HG LEU 69 -17.391 6.722 -2.819 524 HD11 LEU 69 1HD1 LEU 69 -17.772 4.660 -1.652 525 HD12 LEU 69 2HD1 LEU 69 -16.232 5.335 -1.120 526 HD13 LEU 69 3HD1 LEU 69 -16.258 3.987 -2.257 527 HD21 LEU 69 3HD2 LEU 69 -15.165 7.232 -2.805 528 HD22 LEU 69 1HD2 LEU 69 -15.328 6.658 -4.465 529 HD23 LEU 69 2HD2 LEU 69 -14.671 5.591 -3.223 530 H GLN 70 H GLN 70 -18.994 2.979 -4.613 531 HA GLN 70 HA GLN 70 -19.032 1.575 -2.344 532 HB2 GLN 70 1HB GLN 70 -20.065 0.664 -5.029 533 HB3 GLN 70 2HB GLN 70 -20.456 -0.149 -3.520 534 HG2 GLN 70 1HG GLN 70 -21.133 2.684 -4.270 535 HG3 GLN 70 2HG GLN 70 -22.248 1.326 -4.132 536 HE21 GLN 70 1HE2 GLN 70 -23.241 1.038 -2.261 537 HE22 GLN 70 2HE2 GLN 70 -22.805 1.779 -0.762 538 H GLN 71 H GLN 71 -17.601 0.349 -5.357 539 HA GLN 71 HA GLN 71 -16.758 -2.126 -4.289 540 HB2 GLN 71 1HB GLN 71 -16.935 -1.239 -6.774 541 HB3 GLN 71 2HB GLN 71 -15.246 -0.825 -6.512 542 HG2 GLN 71 1HG GLN 71 -16.391 -3.575 -6.093 543 HG3 GLN 71 2HG GLN 71 -15.619 -3.036 -7.583 544 HE21 GLN 71 1HE2 GLN 71 -14.707 -5.209 -6.129 545 HE22 GLN 71 2HE2 GLN 71 -13.156 -4.833 -5.469 546 H LYS 72 H LYS 72 -14.996 0.913 -4.855 547 HA LYS 72 HA LYS 72 -12.473 0.357 -4.151 548 HB2 LYS 72 1HB LYS 72 -14.030 2.695 -3.031 549 HB3 LYS 72 2HB LYS 72 -12.280 2.597 -3.181 550 HG2 LYS 72 1HG LYS 72 -14.211 2.532 -5.491 551 HG3 LYS 72 2HG LYS 72 -13.329 3.960 -4.942 552 HD2 LYS 72 1HD LYS 72 -11.909 3.255 -6.584 553 HD3 LYS 72 2HD LYS 72 -11.257 2.331 -5.229 554 HE2 LYS 72 1HE LYS 72 -13.075 0.580 -6.045 555 HE3 LYS 72 2HE LYS 72 -12.836 1.421 -7.576 556 HZ1 LYS 72 3HZ LYS 72 -10.441 0.617 -6.119 557 HZ2 LYS 72 1HZ LYS 72 -10.739 0.640 -7.785 558 HZ3 LYS 72 2HZ LYS 72 -11.348 -0.619 -6.833 559 H LEU 73 H LEU 73 -14.773 1.413 -1.634 560 HA LEU 73 HA LEU 73 -13.277 0.788 0.577 561 HB2 LEU 73 1HB LEU 73 -16.245 0.694 0.130 562 HB3 LEU 73 2HB LEU 73 -15.527 0.387 1.710 563 HG LEU 73 HG LEU 73 -15.087 2.945 0.185 564 HD11 LEU 73 1HD1 LEU 73 -16.789 3.518 2.272 565 HD12 LEU 73 2HD1 LEU 73 -17.447 2.023 1.608 566 HD13 LEU 73 3HD1 LEU 73 -17.227 3.429 0.566 567 HD21 LEU 73 3HD2 LEU 73 -13.709 1.961 2.276 568 HD22 LEU 73 1HD2 LEU 73 -15.004 2.801 3.129 569 HD23 LEU 73 2HD2 LEU 73 -13.973 3.684 2.003 570 H SER 74 H SER 74 -15.599 -1.350 -1.071 571 HA SER 74 HA SER 74 -15.549 -3.578 0.450 572 HB2 SER 74 1HB SER 74 -16.712 -3.264 -1.783 573 HB3 SER 74 2HB SER 74 -15.192 -3.727 -2.547 574 HG SER 74 HG SER 74 -15.455 -5.626 -0.959 575 H ASN 75 H ASN 75 -13.045 -2.668 -1.895 576 HA ASN 75 HA ASN 75 -11.415 -4.943 -1.449 577 HB2 ASN 75 1HB ASN 75 -10.707 -2.215 -2.551 578 HB3 ASN 75 2HB ASN 75 -9.659 -3.629 -2.617 579 HD21 ASN 75 1HD2 ASN 75 -10.011 -2.706 -4.953 580 HD22 ASN 75 2HD2 ASN 75 -11.214 -3.543 -5.869 581 H TRP 76 H TRP 76 -11.057 -1.563 -0.369 582 HA TRP 76 HA TRP 76 -8.821 -1.699 1.152 583 HB2 TRP 76 1HB TRP 76 -11.363 -0.173 1.434 584 HB3 TRP 76 2HB TRP 76 -10.237 -0.139 2.788 585 HD1 TRP 76 HD TRP 76 -10.846 1.374 -0.581 586 HE1 TRP 76 1HE TRP 76 -8.934 2.994 -1.169 587 HE3 TRP 76 3HE TRP 76 -7.555 0.127 3.128 588 HZ2 TRP 76 2HZ TRP 76 -6.371 3.656 -0.190 589 HZ3 TRP 76 3HZ TRP 76 -5.395 1.301 3.231 590 HH2 TRP 76 HH TRP 76 -4.817 3.028 1.605 591 H GLY 77 H GLY 77 -12.082 -2.610 2.259 592 HA2 GLY 77 1HA GLY 77 -11.558 -3.288 4.867 593 HA3 GLY 77 2HA GLY 77 -12.737 -4.122 3.865 594 H HIS 78 H HIS 78 -11.075 -5.335 2.007 595 HA HIS 78 HA HIS 78 -10.218 -7.614 3.456 596 HB2 HIS 78 1HB HIS 78 -9.512 -6.918 0.602 597 HB3 HIS 78 2HB HIS 78 -9.558 -8.522 1.329 598 HD1 HIS 78 1HD HIS 78 -11.235 -7.573 -1.198 599 HD2 HIS 78 2HD HIS 78 -12.639 -7.927 2.696 600 HE1 HIS 78 1HE HIS 78 -13.724 -7.868 -1.405 601 HE2 HIS 78 2HE HIS 78 -14.562 -7.994 0.967 602 H LEU 79 H LEU 79 -8.563 -4.812 2.158 603 HA LEU 79 HA LEU 79 -5.925 -5.846 2.501 604 HB2 LEU 79 1HB LEU 79 -6.707 -3.937 0.982 605 HB3 LEU 79 2HB LEU 79 -6.652 -2.935 2.431 606 HG LEU 79 HG LEU 79 -4.181 -3.863 2.556 607 HD11 LEU 79 1HD1 LEU 79 -4.614 -3.832 -0.417 608 HD12 LEU 79 2HD1 LEU 79 -4.631 -5.320 0.529 609 HD13 LEU 79 3HD1 LEU 79 -3.177 -4.324 0.480 610 HD21 LEU 79 3HD2 LEU 79 -5.445 -1.519 1.499 611 HD22 LEU 79 1HD2 LEU 79 -3.982 -1.875 0.580 612 HD23 LEU 79 2HD2 LEU 79 -3.897 -1.674 2.330 613 H ASN 80 H ASN 80 -8.250 -4.804 4.674 614 HA ASN 80 HA ASN 80 -6.387 -3.723 6.623 615 HB2 ASN 80 1HB ASN 80 -8.733 -2.833 6.301 616 HB3 ASN 80 2HB ASN 80 -9.321 -4.332 7.015 617 HD21 ASN 80 1HD2 ASN 80 -9.170 -1.352 7.791 618 HD22 ASN 80 2HD2 ASN 80 -8.644 -1.406 9.436 619 H ARG 81 H ARG 81 -8.046 -6.698 5.916 620 HA ARG 81 HA ARG 81 -7.026 -7.870 8.416 621 HB2 ARG 81 1HB ARG 81 -9.380 -8.506 6.678 622 HB3 ARG 81 2HB ARG 81 -8.664 -9.774 7.663 623 HG2 ARG 81 1HG ARG 81 -8.967 -8.259 9.645 624 HG3 ARG 81 2HG ARG 81 -9.914 -7.206 8.593 625 HD2 ARG 81 1HD ARG 81 -11.350 -9.214 8.077 626 HD3 ARG 81 2HD ARG 81 -10.503 -10.051 9.377 627 HE ARG 81 HE ARG 81 -11.589 -7.550 10.224 628 HH11 ARG 81 1HH1 ARG 81 -12.362 -10.886 9.600 629 HH12 ARG 81 2HH1 ARG 81 -13.704 -10.916 10.696 630 HH21 ARG 81 1HH2 ARG 81 -13.353 -7.576 11.670 631 HH22 ARG 81 2HH2 ARG 81 -14.267 -9.032 11.873 632 H LYS 82 H LYS 82 -6.181 -7.540 5.287 633 HA LYS 82 HA LYS 82 -5.020 -10.239 5.100 634 HB2 LYS 82 1HB LYS 82 -5.657 -8.213 2.953 635 HB3 LYS 82 2HB LYS 82 -4.731 -9.679 2.660 636 HG2 LYS 82 1HG LYS 82 -7.486 -9.756 3.843 637 HG3 LYS 82 2HG LYS 82 -7.211 -9.722 2.100 638 HD2 LYS 82 1HD LYS 82 -6.268 -11.822 2.073 639 HD3 LYS 82 2HD LYS 82 -5.752 -11.728 3.758 640 HE2 LYS 82 1HE LYS 82 -7.864 -12.254 4.565 641 HE3 LYS 82 2HE LYS 82 -8.664 -11.772 3.069 642 HZ1 LYS 82 3HZ LYS 82 -7.214 -14.262 3.673 643 HZ2 LYS 82 1HZ LYS 82 -7.345 -13.732 2.071 644 HZ3 LYS 82 2HZ LYS 82 -8.739 -14.057 2.971 645 H VAL 83 H VAL 83 -4.337 -6.795 4.905 646 HA VAL 83 HA VAL 83 -1.457 -7.405 4.817 647 HB VAL 83 HB VAL 83 -2.868 -4.833 4.089 648 HG11 VAL 83 1HG1 VAL 83 -0.846 -4.007 4.702 649 HG12 VAL 83 2HG1 VAL 83 -0.019 -5.548 4.465 650 HG13 VAL 83 3HG1 VAL 83 -0.417 -4.535 3.076 651 HG21 VAL 83 3HG2 VAL 83 -3.290 -6.014 2.212 652 HG22 VAL 83 1HG2 VAL 83 -1.607 -5.638 1.843 653 HG23 VAL 83 2HG2 VAL 83 -2.028 -7.200 2.547 654 H LEU 84 H LEU 84 -3.415 -4.671 5.998 655 HA LEU 84 HA LEU 84 -1.792 -3.701 7.930 656 HB2 LEU 84 1HB LEU 84 -4.769 -4.073 8.223 657 HB3 LEU 84 2HB LEU 84 -3.775 -2.931 9.125 658 HG LEU 84 HG LEU 84 -4.323 -2.850 6.158 659 HD11 LEU 84 1HD1 LEU 84 -6.138 -2.223 7.922 660 HD12 LEU 84 2HD1 LEU 84 -5.839 -1.165 6.543 661 HD13 LEU 84 3HD1 LEU 84 -5.162 -0.767 8.122 662 HD21 LEU 84 3HD2 LEU 84 -3.196 -0.649 6.282 663 HD22 LEU 84 1HD2 LEU 84 -2.116 -2.002 6.615 664 HD23 LEU 84 2HD2 LEU 84 -2.728 -1.016 7.943 665 H LYS 85 H LYS 85 -4.335 -6.102 8.647 666 HA LYS 85 HA LYS 85 -3.793 -6.689 11.232 667 HB2 LYS 85 1HB LYS 85 -5.559 -7.741 9.776 668 HB3 LYS 85 2HB LYS 85 -4.318 -8.826 9.162 669 HG2 LYS 85 1HG LYS 85 -5.197 -10.137 10.794 670 HG3 LYS 85 2HG LYS 85 -3.958 -9.302 11.733 671 HD2 LYS 85 1HD LYS 85 -5.519 -7.872 12.734 672 HD3 LYS 85 2HD LYS 85 -6.753 -8.226 11.522 673 HE2 LYS 85 1HE LYS 85 -7.449 -9.403 13.419 674 HE3 LYS 85 2HE LYS 85 -6.674 -10.623 12.410 675 HZ1 LYS 85 3HZ LYS 85 -4.603 -9.846 13.854 676 HZ2 LYS 85 1HZ LYS 85 -5.643 -11.086 14.347 677 HZ3 LYS 85 2HZ LYS 85 -5.832 -9.525 14.971 678 H ARG 86 H ARG 86 -2.159 -8.189 8.446 679 HA ARG 86 HA ARG 86 -0.392 -9.781 9.943 680 HB2 ARG 86 1HB ARG 86 -0.056 -8.632 7.166 681 HB3 ARG 86 2HB ARG 86 0.933 -9.912 7.857 682 HG2 ARG 86 1HG ARG 86 -2.042 -10.188 7.625 683 HG3 ARG 86 2HG ARG 86 -0.964 -10.574 6.281 684 HD2 ARG 86 1HD ARG 86 -1.159 -12.626 7.299 685 HD3 ARG 86 2HD ARG 86 0.290 -11.994 8.080 686 HE ARG 86 HE ARG 86 -1.814 -11.221 9.676 687 HH11 ARG 86 1HH1 ARG 86 -0.497 -14.227 8.514 688 HH12 ARG 86 2HH1 ARG 86 -0.999 -15.134 9.902 689 HH21 ARG 86 1HH2 ARG 86 -2.480 -12.404 11.509 690 HH22 ARG 86 2HH2 ARG 86 -2.127 -14.096 11.605 691 H LEU 87 H LEU 87 -0.271 -6.432 8.961 692 HA LEU 87 HA LEU 87 2.474 -6.166 9.933 693 HB2 LEU 87 1HB LEU 87 0.635 -4.300 8.456 694 HB3 LEU 87 2HB LEU 87 2.193 -3.793 9.105 695 HG LEU 87 HG LEU 87 2.086 -6.120 7.239 696 HD11 LEU 87 1HD1 LEU 87 1.830 -3.225 6.463 697 HD12 LEU 87 2HD1 LEU 87 0.776 -4.568 6.019 698 HD13 LEU 87 3HD1 LEU 87 2.411 -4.477 5.364 699 HD21 LEU 87 3HD2 LEU 87 4.191 -5.618 8.289 700 HD22 LEU 87 1HD2 LEU 87 4.072 -3.924 7.809 701 HD23 LEU 87 2HD2 LEU 87 4.284 -5.175 6.584 702 H ASN 88 H ASN 88 0.215 -6.689 11.734 703 HA ASN 88 HA ASN 88 -0.787 -5.888 13.635 704 HB2 ASN 88 1HB ASN 88 1.840 -4.468 14.056 705 HB3 ASN 88 2HB ASN 88 0.775 -5.169 15.271 706 HD21 ASN 88 1HD2 ASN 88 3.381 -5.802 15.344 707 HD22 ASN 88 2HD2 ASN 88 3.629 -7.435 14.836 708 H PHE 89 H PHE 89 -1.262 -4.240 11.328 709 HA PHE 89 HA PHE 89 -1.362 -1.557 12.533 710 HB2 PHE 89 1HB PHE 89 -0.265 -2.081 10.194 711 HB3 PHE 89 2HB PHE 89 -1.935 -2.034 9.637 712 HD1 PHE 89 2HD PHE 89 -3.225 0.036 9.750 713 HD2 PHE 89 1HD PHE 89 0.874 -0.097 10.889 714 HE1 PHE 89 2HE PHE 89 -3.115 2.491 9.629 715 HE2 PHE 89 1HE PHE 89 0.990 2.358 10.771 716 HZ PHE 89 HZ PHE 89 -1.006 3.655 10.139 717 H SER 90 H SER 90 -3.283 -0.483 12.738 718 HA SER 90 HA SER 90 -5.717 -1.870 11.847 719 HB2 SER 90 1HB SER 90 -5.275 -0.660 14.588 720 HB3 SER 90 2HB SER 90 -6.801 -1.318 13.999 721 HG SER 90 HG SER 90 -6.093 -3.165 14.678 722 H VAL 91 H VAL 91 -7.197 -0.592 10.916 723 HA VAL 91 HA VAL 91 -6.955 2.320 11.274 724 HB VAL 91 HB VAL 91 -7.154 0.777 8.706 725 HG11 VAL 91 1HG1 VAL 91 -8.759 2.189 8.033 726 HG12 VAL 91 2HG1 VAL 91 -8.473 3.305 9.369 727 HG13 VAL 91 3HG1 VAL 91 -7.458 3.374 7.928 728 HG21 VAL 91 3HG2 VAL 91 -4.935 1.391 9.367 729 HG22 VAL 91 1HG2 VAL 91 -5.416 2.437 8.031 730 HG23 VAL 91 2HG2 VAL 91 -5.434 3.052 9.684 731 HA PRO 92 HA PRO 92 -11.265 1.970 12.229 732 HB2 PRO 92 1HB PRO 92 -11.818 4.628 12.253 733 HB3 PRO 92 2HB PRO 92 -10.951 3.816 13.561 734 HG2 PRO 92 1HG PRO 92 -9.866 5.435 11.289 735 HG3 PRO 92 2HG PRO 92 -9.396 5.451 12.999 736 HD2 PRO 92 1HD PRO 92 -7.970 4.137 11.109 737 HD3 PRO 92 2HD PRO 92 -8.085 3.567 12.787 738 H ASP 93 H ASP 93 -13.222 2.059 11.169 739 HA ASP 93 HA ASP 93 -13.213 2.113 8.363 740 HB2 ASP 93 1HB ASP 93 -15.421 2.147 10.409 741 HB3 ASP 93 2HB ASP 93 -15.769 2.210 8.683 742 H ASP 94 H ASP 94 -13.946 4.574 10.748 743 HA ASP 94 HA ASP 94 -15.229 6.442 9.113 744 HB2 ASP 94 1HB ASP 94 -13.379 7.004 11.441 745 HB3 ASP 94 2HB ASP 94 -14.582 8.107 10.779 746 H VAL 95 H VAL 95 -11.809 5.776 9.610 747 HA VAL 95 HA VAL 95 -10.871 8.042 8.150 748 HB VAL 95 HB VAL 95 -9.558 5.509 9.095 749 HG11 VAL 95 1HG1 VAL 95 -8.266 5.762 7.227 750 HG12 VAL 95 2HG1 VAL 95 -8.553 7.501 7.128 751 HG13 VAL 95 3HG1 VAL 95 -7.424 6.859 8.322 752 HG21 VAL 95 3HG2 VAL 95 -10.104 7.444 10.641 753 HG22 VAL 95 1HG2 VAL 95 -8.423 6.909 10.621 754 HG23 VAL 95 2HG2 VAL 95 -8.895 8.370 9.751 755 H MET 96 H MET 96 -11.384 4.625 7.364 756 HA MET 96 HA MET 96 -10.301 4.626 4.793 757 HB2 MET 96 1HB MET 96 -12.634 3.016 5.847 758 HB3 MET 96 2HB MET 96 -11.728 2.656 4.383 759 HG2 MET 96 1HG MET 96 -9.695 2.687 6.073 760 HG3 MET 96 2HG MET 96 -10.970 2.298 7.225 761 HE1 MET 96 3HE MET 96 -10.924 0.218 8.004 762 HE2 MET 96 1HE MET 96 -12.365 -0.235 7.093 763 HE3 MET 96 2HE MET 96 -10.969 -1.312 7.127 764 H ARG 97 H ARG 97 -13.612 5.322 5.869 765 HA ARG 97 HA ARG 97 -14.907 5.597 3.474 766 HB2 ARG 97 1HB ARG 97 -15.176 7.122 6.052 767 HB3 ARG 97 2HB ARG 97 -16.215 7.470 4.676 768 HG2 ARG 97 1HG ARG 97 -16.819 5.011 4.686 769 HG3 ARG 97 2HG ARG 97 -16.018 4.927 6.256 770 HD2 ARG 97 1HD ARG 97 -17.619 6.192 7.294 771 HD3 ARG 97 2HD ARG 97 -18.045 7.057 5.818 772 HE ARG 97 HE ARG 97 -19.173 4.588 6.771 773 HH11 ARG 97 1HH1 ARG 97 -18.601 6.599 3.988 774 HH12 ARG 97 2HH1 ARG 97 -19.911 5.931 3.073 775 HH21 ARG 97 1HH2 ARG 97 -20.901 3.700 5.577 776 HH22 ARG 97 2HH2 ARG 97 -21.220 4.282 3.978 777 H LYS 98 H LYS 98 -12.803 7.951 5.061 778 HA LYS 98 HA LYS 98 -13.223 10.006 3.125 779 HB2 LYS 98 1HB LYS 98 -10.868 9.720 4.992 780 HB3 LYS 98 2HB LYS 98 -11.468 11.197 4.249 781 HG2 LYS 98 1HG LYS 98 -13.245 11.366 5.693 782 HG3 LYS 98 2HG LYS 98 -13.268 9.635 6.038 783 HD2 LYS 98 1HD LYS 98 -12.363 10.405 7.991 784 HD3 LYS 98 2HD LYS 98 -10.885 10.168 7.054 785 HE2 LYS 98 1HE LYS 98 -10.960 12.552 6.406 786 HE3 LYS 98 2HE LYS 98 -12.379 12.762 7.430 787 HZ1 LYS 98 3HZ LYS 98 -10.220 13.417 8.462 788 HZ2 LYS 98 1HZ LYS 98 -9.772 11.785 8.449 789 HZ3 LYS 98 2HZ LYS 98 -11.109 12.288 9.354 790 H ILE 99 H ILE 99 -10.646 7.628 3.682 791 HA ILE 99 HA ILE 99 -8.850 8.393 1.735 792 HB ILE 99 HB ILE 99 -9.572 5.660 2.765 793 HG12 ILE 99 1HG1 ILE 99 -7.029 7.255 3.095 794 HG13 ILE 99 2HG1 ILE 99 -8.390 7.389 4.203 795 HG21 ILE 99 1HG2 ILE 99 -8.675 4.845 0.873 796 HG22 ILE 99 2HG2 ILE 99 -7.904 6.375 0.459 797 HG23 ILE 99 3HG2 ILE 99 -7.142 5.291 1.622 798 HD11 ILE 99 3HD1 ILE 99 -7.388 4.667 3.669 799 HD12 ILE 99 1HD1 ILE 99 -6.338 5.737 4.598 800 HD13 ILE 99 2HD1 ILE 99 -7.973 5.394 5.166 801 H ALA 100 H ALA 100 -11.668 6.260 1.383 802 HA ALA 100 HA ALA 100 -11.271 5.730 -1.373 803 HB1 ALA 100 3HB ALA 100 -14.021 5.502 -0.786 804 HB2 ALA 100 1HB ALA 100 -12.820 4.216 -0.899 805 HB3 ALA 100 2HB ALA 100 -13.140 4.990 0.653 806 H GLN 101 H GLN 101 -12.617 8.398 0.346 807 HA GLN 101 HA GLN 101 -14.149 9.409 -1.878 808 HB2 GLN 101 1HB GLN 101 -13.589 10.276 0.911 809 HB3 GLN 101 2HB GLN 101 -14.045 11.520 -0.246 810 HG2 GLN 101 1HG GLN 101 -15.691 9.046 -0.024 811 HG3 GLN 101 2HG GLN 101 -15.855 10.318 1.185 812 HE21 GLN 101 1HE2 GLN 101 -16.080 9.602 -2.245 813 HE22 GLN 101 2HE2 GLN 101 -17.175 10.881 -2.632 814 H CYS 102 H CYS 102 -10.948 9.172 -1.402 815 HA CYS 102 HA CYS 102 -9.115 10.169 -2.305 816 HB2 CYS 102 1HB CYS 102 -11.317 11.241 -4.030 817 HB3 CYS 102 2HB CYS 102 -9.687 11.875 -4.217 818 HG CYS 102 HG CYS 102 -10.140 9.965 -6.207 819 H ALA 103 H ALA 103 -9.821 11.188 0.086 820 HA ALA 103 HA ALA 103 -9.946 14.086 -0.082 821 HB1 ALA 103 3HB ALA 103 -9.865 12.200 2.267 822 HB2 ALA 103 1HB ALA 103 -9.933 13.957 2.411 823 HB3 ALA 103 2HB ALA 103 -11.259 13.083 1.644 824 HA PRO 104 HA PRO 104 -5.578 14.686 0.039 825 HB2 PRO 104 1HB PRO 104 -5.558 17.259 0.906 826 HB3 PRO 104 2HB PRO 104 -6.007 16.804 -0.742 827 HG2 PRO 104 1HG PRO 104 -7.768 17.449 1.592 828 HG3 PRO 104 2HG PRO 104 -7.925 17.953 -0.101 829 HD2 PRO 104 1HD PRO 104 -9.375 15.925 0.957 830 HD3 PRO 104 2HD PRO 104 -8.860 15.946 -0.742 831 H GLY 105 H GLY 105 -4.222 13.924 1.530 832 HA2 GLY 105 1HA GLY 105 -3.024 14.191 3.579 833 HA3 GLY 105 2HA GLY 105 -4.467 14.896 4.293 834 H VAL 106 H VAL 106 -6.420 13.230 4.114 835 HA VAL 106 HA VAL 106 -6.259 11.356 5.994 836 HB VAL 106 HB VAL 106 -7.703 10.841 3.391 837 HG11 VAL 106 1HG1 VAL 106 -7.421 9.026 5.254 838 HG12 VAL 106 2HG1 VAL 106 -8.666 9.968 6.076 839 HG13 VAL 106 3HG1 VAL 106 -8.988 9.278 4.485 840 HG21 VAL 106 3HG2 VAL 106 -8.663 12.825 3.910 841 HG22 VAL 106 1HG2 VAL 106 -9.599 11.820 5.016 842 HG23 VAL 106 2HG2 VAL 106 -8.207 12.725 5.611 843 H VAL 107 H VAL 107 -6.087 10.195 2.635 844 HA VAL 107 HA VAL 107 -5.082 7.705 3.077 845 HB VAL 107 HB VAL 107 -5.730 8.516 0.853 846 HG11 VAL 107 1HG1 VAL 107 -3.055 9.895 0.747 847 HG12 VAL 107 2HG1 VAL 107 -4.334 9.924 -0.468 848 HG13 VAL 107 3HG1 VAL 107 -4.572 10.728 1.084 849 HG21 VAL 107 3HG2 VAL 107 -3.926 6.614 1.405 850 HG22 VAL 107 1HG2 VAL 107 -4.444 7.002 -0.236 851 HG23 VAL 107 2HG2 VAL 107 -2.935 7.665 0.392 852 H GLU 108 H GLU 108 -3.140 10.649 2.591 853 HA GLU 108 HA GLU 108 -0.613 9.547 2.762 854 HB2 GLU 108 1HB GLU 108 -1.453 12.217 3.903 855 HB3 GLU 108 2HB GLU 108 0.172 11.749 3.422 856 HG2 GLU 108 1HG GLU 108 -0.765 11.425 1.091 857 HG3 GLU 108 2HG GLU 108 -2.209 12.253 1.670 858 H LEU 109 H LEU 109 -2.698 10.679 5.401 859 HA LEU 109 HA LEU 109 -0.970 10.321 7.533 860 HB2 LEU 109 1HB LEU 109 -3.952 9.928 7.381 861 HB3 LEU 109 2HB LEU 109 -3.040 9.942 8.890 862 HG LEU 109 HG LEU 109 -3.568 12.219 7.002 863 HD11 LEU 109 1HD1 LEU 109 -3.852 12.281 9.967 864 HD12 LEU 109 2HD1 LEU 109 -5.074 11.454 9.001 865 HD13 LEU 109 3HD1 LEU 109 -4.744 13.164 8.728 866 HD21 LEU 109 3HD2 LEU 109 -2.066 13.568 8.430 867 HD22 LEU 109 1HD2 LEU 109 -1.213 12.332 7.505 868 HD23 LEU 109 2HD2 LEU 109 -1.531 12.084 9.222 869 H VAL 110 H VAL 110 -2.327 7.969 5.482 870 HA VAL 110 HA VAL 110 -1.782 5.818 7.413 871 HB VAL 110 HB VAL 110 -3.348 5.765 4.831 872 HG11 VAL 110 1HG1 VAL 110 -3.931 3.440 5.520 873 HG12 VAL 110 2HG1 VAL 110 -2.239 3.655 5.064 874 HG13 VAL 110 3HG1 VAL 110 -2.689 3.552 6.767 875 HG21 VAL 110 3HG2 VAL 110 -4.051 6.335 7.560 876 HG22 VAL 110 1HG2 VAL 110 -5.049 6.412 6.108 877 HG23 VAL 110 2HG2 VAL 110 -4.899 4.896 6.995 878 H LEU 111 H LEU 111 -0.632 7.308 4.551 879 HA LEU 111 HA LEU 111 0.871 5.023 3.623 880 HB2 LEU 111 1HB LEU 111 1.006 7.917 2.790 881 HB3 LEU 111 2HB LEU 111 1.780 6.568 1.961 882 HG LEU 111 HG LEU 111 -1.205 6.820 2.281 883 HD11 LEU 111 1HD1 LEU 111 -0.931 7.380 -0.263 884 HD12 LEU 111 2HD1 LEU 111 0.649 7.969 0.253 885 HD13 LEU 111 3HD1 LEU 111 -0.818 8.649 0.956 886 HD21 LEU 111 3HD2 LEU 111 -1.110 5.259 0.293 887 HD22 LEU 111 1HD2 LEU 111 -0.601 4.581 1.839 888 HD23 LEU 111 2HD2 LEU 111 0.607 5.061 0.647 889 H ILE 112 H ILE 112 1.520 8.047 5.331 890 HA ILE 112 HA ILE 112 4.270 8.063 5.373 891 HB ILE 112 HB ILE 112 2.186 9.050 7.239 892 HG12 ILE 112 1HG1 ILE 112 4.635 10.405 6.102 893 HG13 ILE 112 2HG1 ILE 112 3.105 10.295 5.239 894 HG21 ILE 112 1HG2 ILE 112 4.150 9.924 8.688 895 HG22 ILE 112 2HG2 ILE 112 3.546 8.288 8.948 896 HG23 ILE 112 3HG2 ILE 112 5.026 8.545 8.024 897 HD11 ILE 112 3HD1 ILE 112 3.243 12.435 6.273 898 HD12 ILE 112 1HD1 ILE 112 2.030 11.488 7.134 899 HD13 ILE 112 2HD1 ILE 112 3.633 11.715 7.835 900 HA PRO 113 HA PRO 113 4.267 5.244 9.300 901 HB2 PRO 113 1HB PRO 113 1.933 4.017 9.947 902 HB3 PRO 113 2HB PRO 113 2.385 5.611 10.565 903 HG2 PRO 113 1HG PRO 113 0.564 4.905 8.296 904 HG3 PRO 113 2HG PRO 113 0.349 6.125 9.565 905 HD2 PRO 113 1HD PRO 113 1.180 6.753 7.066 906 HD3 PRO 113 2HD PRO 113 1.710 7.652 8.502 907 H LEU 114 H LEU 114 2.402 4.441 6.474 908 HA LEU 114 HA LEU 114 2.431 1.664 6.556 909 HB2 LEU 114 1HB LEU 114 1.244 3.106 4.896 910 HB3 LEU 114 2HB LEU 114 2.791 3.359 4.091 911 HG LEU 114 HG LEU 114 2.884 0.849 3.770 912 HD11 LEU 114 1HD1 LEU 114 1.321 0.047 5.339 913 HD12 LEU 114 2HD1 LEU 114 0.588 -0.216 3.757 914 HD13 LEU 114 3HD1 LEU 114 0.061 1.136 4.758 915 HD21 LEU 114 3HD2 LEU 114 1.101 2.781 2.426 916 HD22 LEU 114 1HD2 LEU 114 0.854 1.080 2.033 917 HD23 LEU 114 2HD2 LEU 114 2.433 1.823 1.780 918 H ARG 115 H ARG 115 4.749 3.745 4.809 919 HA ARG 115 HA ARG 115 6.556 1.711 4.167 920 HB2 ARG 115 1HB ARG 115 8.126 3.462 3.646 921 HB3 ARG 115 2HB ARG 115 6.522 3.982 3.147 922 HG2 ARG 115 1HG ARG 115 7.204 5.885 4.163 923 HG3 ARG 115 2HG ARG 115 6.537 5.059 5.572 924 HD2 ARG 115 1HD ARG 115 8.760 4.250 6.162 925 HD3 ARG 115 2HD ARG 115 9.435 5.036 4.735 926 HE ARG 115 HE ARG 115 8.080 6.934 6.319 927 HH11 ARG 115 1HH1 ARG 115 10.971 4.995 6.286 928 HH12 ARG 115 2HH1 ARG 115 11.884 6.107 7.252 929 HH21 ARG 115 1HH2 ARG 115 9.271 8.405 7.591 930 HH22 ARG 115 2HH2 ARG 115 10.916 8.046 7.994 931 H GLN 116 H GLN 116 6.358 3.819 6.993 932 HA GLN 116 HA GLN 116 8.771 3.282 8.213 933 HB2 GLN 116 1HB GLN 116 6.056 3.989 9.217 934 HB3 GLN 116 2HB GLN 116 7.259 3.469 10.390 935 HG2 GLN 116 1HG GLN 116 8.751 5.248 9.166 936 HG3 GLN 116 2HG GLN 116 7.186 5.913 8.700 937 HE21 GLN 116 1HE2 GLN 116 9.419 5.376 11.270 938 HE22 GLN 116 2HE2 GLN 116 8.587 6.294 12.473 939 H ARG 117 H ARG 117 6.171 1.144 7.631 940 HA ARG 117 HA ARG 117 7.082 -0.762 9.655 941 HB2 ARG 117 1HB ARG 117 4.641 -0.583 7.910 942 HB3 ARG 117 2HB ARG 117 5.075 -2.094 8.700 943 HG2 ARG 117 1HG ARG 117 4.686 0.497 10.176 944 HG3 ARG 117 2HG ARG 117 3.404 -0.688 9.919 945 HD2 ARG 117 1HD ARG 117 6.027 -1.263 11.290 946 HD3 ARG 117 2HD ARG 117 4.520 -0.891 12.126 947 HE ARG 117 HE ARG 117 3.852 -2.984 10.549 948 HH11 ARG 117 1HH1 ARG 117 6.409 -2.439 12.848 949 HH12 ARG 117 2HH1 ARG 117 6.527 -4.105 13.309 950 HH21 ARG 117 1HH2 ARG 117 3.998 -5.181 11.148 951 HH22 ARG 117 2HH2 ARG 117 5.155 -5.664 12.341 952 H LEU 118 H LEU 118 6.473 -0.616 6.151 953 HA LEU 118 HA LEU 118 7.448 -3.155 5.510 954 HB2 LEU 118 1HB LEU 118 7.475 -0.635 3.855 955 HB3 LEU 118 2HB LEU 118 7.740 -2.262 3.231 956 HG LEU 118 HG LEU 118 5.181 -1.387 4.560 957 HD11 LEU 118 1HD1 LEU 118 5.206 -1.800 1.656 958 HD12 LEU 118 2HD1 LEU 118 6.068 -0.365 2.210 959 HD13 LEU 118 3HD1 LEU 118 4.369 -0.589 2.628 960 HD21 LEU 118 3HD2 LEU 118 5.300 -3.599 2.610 961 HD22 LEU 118 1HD2 LEU 118 4.367 -3.442 4.099 962 HD23 LEU 118 2HD2 LEU 118 6.072 -3.891 4.170 963 H GLU 119 H GLU 119 9.110 -0.049 5.798 964 HA GLU 119 HA GLU 119 11.628 -0.980 4.873 965 HB2 GLU 119 1HB GLU 119 11.009 1.373 6.669 966 HB3 GLU 119 2HB GLU 119 12.519 1.103 5.810 967 HG2 GLU 119 1HG GLU 119 10.894 1.030 3.725 968 HG3 GLU 119 2HG GLU 119 9.887 2.008 4.791 969 H GLU 120 H GLU 120 9.965 -1.228 7.876 970 HA GLU 120 HA GLU 120 12.339 -1.734 9.445 971 HB2 GLU 120 1HB GLU 120 9.416 -1.573 9.972 972 HB3 GLU 120 2HB GLU 120 10.383 -2.541 11.077 973 HG2 GLU 120 1HG GLU 120 10.019 -0.162 11.761 974 HG3 GLU 120 2HG GLU 120 11.702 -0.685 11.703 975 H ARG 121 H ARG 121 9.697 -3.607 8.031 976 HA ARG 121 HA ARG 121 10.544 -6.102 9.124 977 HB2 ARG 121 1HB ARG 121 8.524 -5.208 7.130 978 HB3 ARG 121 2HB ARG 121 9.033 -6.890 7.070 979 HG2 ARG 121 1HG ARG 121 8.469 -7.039 9.514 980 HG3 ARG 121 2HG ARG 121 7.737 -5.440 9.360 981 HD2 ARG 121 1HD ARG 121 5.932 -6.863 9.054 982 HD3 ARG 121 2HD ARG 121 6.420 -6.491 7.401 983 HE ARG 121 HE ARG 121 6.881 -8.702 7.109 984 HH11 ARG 121 1HH1 ARG 121 6.917 -8.007 10.520 985 HH12 ARG 121 2HH1 ARG 121 7.143 -9.661 10.987 986 HH21 ARG 121 1HH2 ARG 121 7.179 -10.882 7.711 987 HH22 ARG 121 2HH2 ARG 121 7.292 -11.294 9.388 988 H GLN 122 H GLN 122 10.929 -4.526 5.971 989 HA GLN 122 HA GLN 122 12.052 -6.433 4.429 990 HB2 GLN 122 1HB GLN 122 11.777 -4.184 3.610 991 HB3 GLN 122 2HB GLN 122 12.974 -3.575 4.745 992 HG2 GLN 122 1HG GLN 122 14.548 -5.265 3.508 993 HG3 GLN 122 2HG GLN 122 13.354 -5.101 2.221 994 HE21 GLN 122 1HE2 GLN 122 13.938 -3.679 0.763 995 HE22 GLN 122 2HE2 GLN 122 14.796 -2.208 1.050 996 H ARG 123 H ARG 123 13.890 -4.452 6.753 997 HA ARG 123 HA ARG 123 16.262 -6.039 6.416 998 HB2 ARG 123 1HB ARG 123 17.275 -4.580 8.013 999 HB3 ARG 123 2HB ARG 123 16.259 -3.590 6.974 1000 HG2 ARG 123 1HG ARG 123 14.477 -3.808 8.776 1001 HG3 ARG 123 2HG ARG 123 15.765 -4.434 9.808 1002 HD2 ARG 123 1HD ARG 123 16.243 -1.891 8.344 1003 HD3 ARG 123 2HD ARG 123 15.160 -1.859 9.735 1004 HE ARG 123 HE ARG 123 16.962 -2.226 11.122 1005 HH11 ARG 123 1HH1 ARG 123 17.906 -2.672 7.801 1006 HH12 ARG 123 2HH1 ARG 123 19.601 -2.735 8.155 1007 HH21 ARG 123 1HH2 ARG 123 19.191 -2.308 11.601 1008 HH22 ARG 123 2HH2 ARG 123 20.331 -2.528 10.317 1009 H ARG 124 H ARG 124 13.769 -5.680 8.905 1010 HA ARG 124 HA ARG 124 14.915 -7.414 10.801 1011 HB2 ARG 124 1HB ARG 124 12.157 -6.366 10.305 1012 HB3 ARG 124 2HB ARG 124 12.386 -7.656 11.478 1013 HG2 ARG 124 1HG ARG 124 13.685 -6.316 12.877 1014 HG3 ARG 124 2HG ARG 124 13.996 -5.133 11.604 1015 HD2 ARG 124 1HD ARG 124 11.353 -4.922 11.682 1016 HD3 ARG 124 2HD ARG 124 11.605 -5.497 13.330 1017 HE ARG 124 HE ARG 124 12.179 -2.898 12.323 1018 HH11 ARG 124 1HH1 ARG 124 13.257 -5.305 14.595 1019 HH12 ARG 124 2HH1 ARG 124 13.997 -4.157 15.661 1020 HH21 ARG 124 1HH2 ARG 124 13.150 -1.376 13.717 1021 HH22 ARG 124 2HH2 ARG 124 13.934 -1.922 15.160 1022 H ARG 125 H ARG 125 15.241 -9.527 10.698 1023 HA ARG 125 HA ARG 125 13.750 -11.106 8.733 1024 HB2 ARG 125 1HB ARG 125 16.321 -11.594 10.230 1025 HB3 ARG 125 2HB ARG 125 15.514 -12.856 9.310 1026 HG2 ARG 125 1HG ARG 125 16.598 -10.261 8.238 1027 HG3 ARG 125 2HG ARG 125 17.263 -11.876 7.983 1028 HD2 ARG 125 1HD ARG 125 15.034 -12.470 6.930 1029 HD3 ARG 125 2HD ARG 125 14.675 -10.743 6.949 1030 HE ARG 125 HE ARG 125 17.089 -10.893 5.710 1031 HH11 ARG 125 1HH1 ARG 125 13.997 -12.409 5.197 1032 HH12 ARG 125 2HH1 ARG 125 14.208 -12.556 3.483 1033 HH21 ARG 125 1HH2 ARG 125 17.378 -11.081 3.455 1034 HH22 ARG 125 2HH2 ARG 125 16.131 -11.801 2.494 1035 H LYS 126 H LYS 126 14.251 -10.730 12.153 1036 HA LYS 126 HA LYS 126 12.776 -13.178 12.754 1037 HB2 LYS 126 1HB LYS 126 14.393 -11.243 14.374 1038 HB3 LYS 126 2HB LYS 126 13.235 -12.296 15.177 1039 HG2 LYS 126 1HG LYS 126 15.209 -13.486 15.324 1040 HG3 LYS 126 2HG LYS 126 14.428 -14.200 13.910 1041 HD2 LYS 126 1HD LYS 126 16.520 -13.866 13.057 1042 HD3 LYS 126 2HD LYS 126 15.793 -12.307 12.657 1043 HE2 LYS 126 1HE LYS 126 16.684 -11.607 15.004 1044 HE3 LYS 126 2HE LYS 126 17.753 -12.995 14.808 1045 HZ1 LYS 126 3HZ LYS 126 17.969 -10.425 13.665 1046 HZ2 LYS 126 1HZ LYS 126 17.845 -11.574 12.430 1047 HZ3 LYS 126 2HZ LYS 126 19.064 -11.712 13.594 1048 H GLN 127 H GLN 127 10.700 -13.220 13.370 1049 HA GLN 127 HA GLN 127 8.861 -11.322 12.865 1050 HB2 GLN 127 1HB GLN 127 7.393 -12.382 14.545 1051 HB3 GLN 127 2HB GLN 127 8.230 -13.562 13.545 1052 HG2 GLN 127 1HG GLN 127 9.549 -14.296 15.267 1053 HG3 GLN 127 2HG GLN 127 9.431 -12.774 16.150 1054 HE21 GLN 127 1HE2 GLN 127 9.102 -14.610 17.809 1055 HE22 GLN 127 2HE2 GLN 127 7.456 -15.007 18.151 Start of MODEL 7 1 H1 GLY 1 H GLY 1 14.533 14.879 -12.117 2 HA2 GLY 1 1HA GLY 1 13.682 12.778 -10.363 3 HA3 GLY 1 2HA GLY 1 15.266 12.460 -11.056 4 H SER 2 H SER 2 13.496 14.190 -8.697 5 HA SER 2 HA SER 2 15.879 15.747 -7.958 6 HB2 SER 2 1HB SER 2 14.328 17.127 -6.602 7 HB3 SER 2 2HB SER 2 13.888 17.112 -8.310 8 HG SER 2 HG SER 2 12.741 15.235 -6.565 9 H SER 3 H SER 3 16.325 15.969 -5.636 10 HA SER 3 HA SER 3 15.244 14.009 -3.828 11 HB2 SER 3 1HB SER 3 17.916 13.631 -5.113 12 HB3 SER 3 2HB SER 3 17.724 13.175 -3.420 13 HG SER 3 HG SER 3 16.726 11.988 -5.692 14 H GLY 4 H GLY 4 16.327 14.135 -1.662 15 HA2 GLY 4 1HA GLY 4 18.157 16.036 -0.870 16 HA3 GLY 4 2HA GLY 4 16.615 16.878 -0.921 17 H SER 5 H SER 5 18.681 15.199 1.030 18 HA SER 5 HA SER 5 16.767 13.806 2.654 19 HB2 SER 5 1HB SER 5 19.704 14.373 2.838 20 HB3 SER 5 2HB SER 5 18.843 13.805 4.269 21 HG SER 5 HG SER 5 18.696 12.489 1.766 22 H SER 6 H SER 6 18.737 16.741 3.088 23 HA SER 6 HA SER 6 17.812 17.488 5.593 24 HB2 SER 6 1HB SER 6 18.815 19.109 3.258 25 HB3 SER 6 2HB SER 6 18.358 19.866 4.783 26 HG SER 6 HG SER 6 20.572 18.365 4.154 27 H GLY 7 H GLY 7 15.687 17.449 6.067 28 HA2 GLY 7 1HA GLY 7 14.002 19.535 5.204 29 HA3 GLY 7 2HA GLY 7 13.585 18.072 4.324 30 H MET 8 H MET 8 13.514 19.705 7.378 31 HA MET 8 HA MET 8 11.533 17.791 8.327 32 HB2 MET 8 1HB MET 8 13.701 17.002 9.226 33 HB3 MET 8 2HB MET 8 13.935 18.568 9.991 34 HG2 MET 8 1HG MET 8 11.703 18.100 11.166 35 HG3 MET 8 2HG MET 8 11.951 16.432 10.656 36 HE1 MET 8 3HE MET 8 12.440 15.294 13.437 37 HE2 MET 8 1HE MET 8 12.846 14.875 11.772 38 HE3 MET 8 2HE MET 8 14.103 14.889 13.009 39 H ALA 9 H ALA 9 9.824 18.898 8.991 40 HA ALA 9 HA ALA 9 10.244 21.569 10.167 41 HB1 ALA 9 3HB ALA 9 8.790 22.513 8.762 42 HB2 ALA 9 1HB ALA 9 8.975 21.057 7.783 43 HB3 ALA 9 2HB ALA 9 7.638 21.187 8.927 44 H SER 10 H SER 10 8.156 22.278 11.371 45 HA SER 10 HA SER 10 7.708 20.335 13.433 46 HB2 SER 10 1HB SER 10 6.505 23.083 13.022 47 HB3 SER 10 2HB SER 10 6.337 22.109 14.483 48 HG SER 10 HG SER 10 8.363 23.716 13.740 49 H SER 11 H SER 11 5.513 22.096 11.240 50 HA SER 11 HA SER 11 3.383 20.207 11.808 51 HB2 SER 11 1HB SER 11 3.440 22.616 9.974 52 HB3 SER 11 2HB SER 11 2.007 21.671 10.375 53 HG SER 11 HG SER 11 2.476 22.242 12.614 54 H VAL 12 H VAL 12 2.041 19.581 9.752 55 HA VAL 12 HA VAL 12 3.825 18.006 8.100 56 HB VAL 12 HB VAL 12 0.810 18.127 7.993 57 HG11 VAL 12 1HG1 VAL 12 1.943 15.593 7.326 58 HG12 VAL 12 2HG1 VAL 12 0.966 16.670 6.326 59 HG13 VAL 12 3HG1 VAL 12 2.721 16.846 6.360 60 HG21 VAL 12 3HG2 VAL 12 2.287 15.941 9.377 61 HG22 VAL 12 1HG2 VAL 12 2.029 17.466 10.225 62 HG23 VAL 12 2HG2 VAL 12 0.649 16.537 9.641 63 H ASP 13 H ASP 13 3.983 20.817 7.676 64 HA ASP 13 HA ASP 13 2.534 21.931 5.649 65 HB2 ASP 13 1HB ASP 13 4.487 22.950 6.911 66 HB3 ASP 13 2HB ASP 13 5.544 22.121 5.772 67 H GLU 14 H GLU 14 3.410 22.336 3.340 68 HA GLU 14 HA GLU 14 3.081 20.073 1.816 69 HB2 GLU 14 1HB GLU 14 4.599 22.599 1.148 70 HB3 GLU 14 2HB GLU 14 4.178 21.368 -0.034 71 HG2 GLU 14 1HG GLU 14 1.772 21.722 0.639 72 HG3 GLU 14 2HG GLU 14 2.326 23.138 1.530 73 H GLU 15 H GLU 15 6.004 21.308 3.278 74 HA GLU 15 HA GLU 15 7.871 19.783 1.817 75 HB2 GLU 15 1HB GLU 15 8.662 21.634 3.102 76 HB3 GLU 15 2HB GLU 15 7.968 20.986 4.581 77 HG2 GLU 15 1HG GLU 15 10.151 20.436 4.890 78 HG3 GLU 15 2HG GLU 15 9.582 18.978 4.078 79 H ALA 16 H ALA 16 6.201 19.162 4.886 80 HA ALA 16 HA ALA 16 7.437 16.716 5.483 81 HB1 ALA 16 3HB ALA 16 4.754 16.662 6.420 82 HB2 ALA 16 1HB ALA 16 6.234 16.975 7.327 83 HB3 ALA 16 2HB ALA 16 5.363 18.310 6.571 84 H LEU 17 H LEU 17 4.522 17.458 3.615 85 HA LEU 17 HA LEU 17 3.690 14.804 3.192 86 HB2 LEU 17 1HB LEU 17 3.249 17.323 1.606 87 HB3 LEU 17 2HB LEU 17 2.490 15.784 1.203 88 HG LEU 17 HG LEU 17 2.121 16.986 3.921 89 HD11 LEU 17 1HD1 LEU 17 -0.007 17.546 2.006 90 HD12 LEU 17 2HD1 LEU 17 1.491 18.412 1.670 91 HD13 LEU 17 3HD1 LEU 17 0.710 18.578 3.243 92 HD21 LEU 17 3HD2 LEU 17 0.540 15.115 2.167 93 HD22 LEU 17 1HD2 LEU 17 -0.061 15.786 3.684 94 HD23 LEU 17 2HD2 LEU 17 1.358 14.739 3.684 95 H HIS 18 H HIS 18 5.656 16.979 1.178 96 HA HIS 18 HA HIS 18 6.076 15.519 -1.058 97 HB2 HIS 18 1HB HIS 18 7.175 17.753 -0.201 98 HB3 HIS 18 2HB HIS 18 8.495 16.684 0.265 99 HD1 HIS 18 1HD HIS 18 10.139 17.553 -1.473 100 HD2 HIS 18 2HD HIS 18 6.584 16.167 -3.117 101 HE1 HIS 18 1HE HIS 18 10.543 17.444 -3.953 102 HE2 HIS 18 2HE HIS 18 8.351 16.684 -4.934 103 H GLN 19 H GLN 19 8.150 15.220 1.833 104 HA GLN 19 HA GLN 19 9.823 13.240 1.203 105 HB2 GLN 19 1HB GLN 19 8.217 13.512 3.740 106 HB3 GLN 19 2HB GLN 19 9.524 12.350 3.562 107 HG2 GLN 19 1HG GLN 19 9.939 15.274 3.061 108 HG3 GLN 19 2HG GLN 19 10.049 14.581 4.678 109 HE21 GLN 19 1HE2 GLN 19 12.157 15.865 3.321 110 HE22 GLN 19 2HE2 GLN 19 13.404 14.702 3.048 111 H LEU 20 H LEU 20 6.402 12.763 1.959 112 HA LEU 20 HA LEU 20 6.506 9.918 1.715 113 HB2 LEU 20 1HB LEU 20 4.782 10.746 3.064 114 HB3 LEU 20 2HB LEU 20 4.292 11.934 1.858 115 HG LEU 20 HG LEU 20 3.663 9.809 0.459 116 HD11 LEU 20 1HD1 LEU 20 4.061 8.766 3.208 117 HD12 LEU 20 2HD1 LEU 20 4.303 7.978 1.649 118 HD13 LEU 20 3HD1 LEU 20 2.673 8.178 2.293 119 HD21 LEU 20 3HD2 LEU 20 1.407 9.848 1.537 120 HD22 LEU 20 1HD2 LEU 20 2.039 11.435 1.099 121 HD23 LEU 20 2HD2 LEU 20 2.083 10.902 2.780 122 H TYR 21 H TYR 21 5.488 12.564 -0.408 123 HA TYR 21 HA TYR 21 4.528 10.986 -2.521 124 HB2 TYR 21 1HB TYR 21 5.638 13.786 -2.417 125 HB3 TYR 21 2HB TYR 21 5.054 13.068 -3.914 126 HD1 TYR 21 2HD TYR 21 2.676 11.612 -3.061 127 HD2 TYR 21 1HD TYR 21 4.105 15.426 -1.830 128 HE1 TYR 21 2HE TYR 21 0.379 12.283 -2.492 129 HE2 TYR 21 1HE TYR 21 1.812 16.107 -1.256 130 HH TYR 21 HH TYR 21 -0.302 15.271 -0.821 131 H LEU 22 H LEU 22 7.704 12.554 -2.117 132 HA LEU 22 HA LEU 22 8.953 11.720 -4.407 133 HB2 LEU 22 1HB LEU 22 10.129 11.907 -1.638 134 HB3 LEU 22 2HB LEU 22 11.068 11.804 -3.126 135 HG LEU 22 HG LEU 22 9.155 14.054 -2.526 136 HD11 LEU 22 1HD1 LEU 22 12.034 14.581 -2.386 137 HD12 LEU 22 2HD1 LEU 22 11.405 13.578 -1.080 138 HD13 LEU 22 3HD1 LEU 22 10.717 15.174 -1.374 139 HD21 LEU 22 3HD2 LEU 22 9.491 14.292 -4.746 140 HD22 LEU 22 1HD2 LEU 22 10.978 13.344 -4.734 141 HD23 LEU 22 2HD2 LEU 22 11.004 15.031 -4.219 142 H TRP 23 H TRP 23 8.868 9.953 -1.315 143 HA TRP 23 HA TRP 23 10.324 7.739 -1.900 144 HB2 TRP 23 1HB TRP 23 9.477 7.735 0.255 145 HB3 TRP 23 2HB TRP 23 7.844 8.133 -0.275 146 HD1 TRP 23 HD TRP 23 10.175 5.094 -0.984 147 HE1 TRP 23 1HE TRP 23 8.799 2.950 -0.611 148 HE3 TRP 23 3HE TRP 23 5.734 7.211 0.404 149 HZ2 TRP 23 2HZ TRP 23 6.178 2.250 0.168 150 HZ3 TRP 23 3HZ TRP 23 3.842 5.735 0.947 151 HH2 TRP 23 HH TRP 23 4.061 3.306 0.830 152 H VAL 24 H VAL 24 6.825 8.026 -2.544 153 HA VAL 24 HA VAL 24 6.420 5.627 -3.835 154 HB VAL 24 HB VAL 24 5.132 8.276 -4.509 155 HG11 VAL 24 1HG1 VAL 24 4.955 6.146 -6.072 156 HG12 VAL 24 2HG1 VAL 24 3.746 5.675 -4.876 157 HG13 VAL 24 3HG1 VAL 24 3.568 7.189 -5.763 158 HG21 VAL 24 3HG2 VAL 24 3.285 7.211 -3.043 159 HG22 VAL 24 1HG2 VAL 24 4.589 6.196 -2.425 160 HG23 VAL 24 2HG2 VAL 24 4.679 7.949 -2.254 161 H ASP 25 H ASP 25 7.011 8.740 -5.481 162 HA ASP 25 HA ASP 25 7.249 7.878 -8.058 163 HB2 ASP 25 1HB ASP 25 7.372 10.198 -7.738 164 HB3 ASP 25 2HB ASP 25 8.679 10.060 -6.565 165 H ASN 26 H ASN 26 9.902 8.045 -5.687 166 HA ASN 26 HA ASN 26 12.005 7.166 -7.178 167 HB2 ASN 26 1HB ASN 26 12.438 7.754 -4.930 168 HB3 ASN 26 2HB ASN 26 11.276 6.582 -4.314 169 HD21 ASN 26 1HD2 ASN 26 12.928 5.786 -2.946 170 HD22 ASN 26 2HD2 ASN 26 14.148 4.726 -3.557 171 H ILE 27 H ILE 27 9.282 5.302 -6.060 172 HA ILE 27 HA ILE 27 10.378 2.724 -6.491 173 HB ILE 27 HB ILE 27 7.457 3.455 -6.654 174 HG12 ILE 27 1HG1 ILE 27 9.050 2.743 -4.184 175 HG13 ILE 27 2HG1 ILE 27 8.535 4.374 -4.600 176 HG21 ILE 27 1HG2 ILE 27 7.048 1.192 -6.011 177 HG22 ILE 27 2HG2 ILE 27 8.173 1.172 -7.368 178 HG23 ILE 27 3HG2 ILE 27 8.765 0.906 -5.728 179 HD11 ILE 27 3HD1 ILE 27 6.913 3.730 -3.116 180 HD12 ILE 27 1HD1 ILE 27 6.163 3.307 -4.655 181 HD13 ILE 27 2HD1 ILE 27 6.918 2.055 -3.667 182 HA PRO 28 HA PRO 28 10.318 2.541 -10.901 183 HB2 PRO 28 1HB PRO 28 10.488 -0.155 -11.167 184 HB3 PRO 28 2HB PRO 28 11.861 0.851 -10.691 185 HG2 PRO 28 1HG PRO 28 10.029 -0.786 -8.981 186 HG3 PRO 28 2HG PRO 28 11.792 -0.618 -8.890 187 HD2 PRO 28 1HD PRO 28 10.115 0.718 -7.237 188 HD3 PRO 28 2HD PRO 28 11.669 1.391 -7.767 189 H LEU 29 H LEU 29 7.766 2.010 -9.024 190 HA LEU 29 HA LEU 29 5.956 0.306 -9.889 191 HB2 LEU 29 1HB LEU 29 5.593 3.279 -9.628 192 HB3 LEU 29 2HB LEU 29 4.243 2.182 -9.908 193 HG LEU 29 HG LEU 29 6.082 2.071 -7.518 194 HD11 LEU 29 1HD1 LEU 29 4.541 3.260 -6.289 195 HD12 LEU 29 2HD1 LEU 29 3.226 2.933 -7.416 196 HD13 LEU 29 3HD1 LEU 29 4.480 4.098 -7.839 197 HD21 LEU 29 3HD2 LEU 29 5.048 0.189 -6.919 198 HD22 LEU 29 1HD2 LEU 29 4.463 0.106 -8.581 199 HD23 LEU 29 2HD2 LEU 29 3.458 0.835 -7.328 200 H SER 30 H SER 30 6.185 -0.562 -11.912 201 HA SER 30 HA SER 30 6.357 1.007 -14.284 202 HB2 SER 30 1HB SER 30 6.207 -1.091 -15.475 203 HB3 SER 30 2HB SER 30 7.236 -1.328 -14.063 204 HG SER 30 HG SER 30 5.433 -2.249 -13.002 205 H ARG 31 H ARG 31 4.487 2.403 -13.791 206 HA ARG 31 HA ARG 31 2.137 1.416 -15.166 207 HB2 ARG 31 1HB ARG 31 2.075 2.282 -12.278 208 HB3 ARG 31 2HB ARG 31 0.643 2.299 -13.300 209 HG2 ARG 31 1HG ARG 31 0.782 -0.080 -13.622 210 HG3 ARG 31 2HG ARG 31 2.313 -0.144 -12.746 211 HD2 ARG 31 1HD ARG 31 0.810 -0.799 -11.122 212 HD3 ARG 31 2HD ARG 31 0.945 0.932 -10.814 213 HE ARG 31 HE ARG 31 -1.233 1.208 -11.522 214 HH11 ARG 31 1HH1 ARG 31 -0.150 -2.027 -12.212 215 HH12 ARG 31 2HH1 ARG 31 -1.732 -2.613 -12.606 216 HH21 ARG 31 1HH2 ARG 31 -3.321 0.449 -12.038 217 HH22 ARG 31 2HH2 ARG 31 -3.535 -1.203 -12.507 218 HA PRO 32 HA PRO 32 1.984 5.551 -16.634 219 HB2 PRO 32 1HB PRO 32 -0.667 5.812 -17.161 220 HB3 PRO 32 2HB PRO 32 0.416 4.824 -18.148 221 HG2 PRO 32 1HG PRO 32 -1.474 3.980 -15.985 222 HG3 PRO 32 2HG PRO 32 -1.168 3.226 -17.561 223 HD2 PRO 32 1HD PRO 32 -0.085 2.289 -15.263 224 HD3 PRO 32 2HD PRO 32 0.747 2.174 -16.827 225 H LYS 33 H LYS 33 1.261 7.684 -16.148 226 HA LYS 33 HA LYS 33 0.250 7.959 -13.400 227 HB2 LYS 33 1HB LYS 33 1.905 9.838 -15.093 228 HB3 LYS 33 2HB LYS 33 1.272 10.242 -13.502 229 HG2 LYS 33 1HG LYS 33 3.410 9.592 -12.994 230 HG3 LYS 33 2HG LYS 33 2.526 8.082 -12.760 231 HD2 LYS 33 1HD LYS 33 4.430 7.490 -14.006 232 HD3 LYS 33 2HD LYS 33 3.116 7.552 -15.182 233 HE2 LYS 33 1HE LYS 33 4.943 8.657 -16.189 234 HE3 LYS 33 2HE LYS 33 3.839 9.927 -15.666 235 HZ1 LYS 33 3HZ LYS 33 5.489 10.811 -14.512 236 HZ2 LYS 33 1HZ LYS 33 6.533 9.560 -14.969 237 HZ3 LYS 33 2HZ LYS 33 5.600 9.413 -13.566 238 H ARG 34 H ARG 34 -1.733 8.722 -13.113 239 HA ARG 34 HA ARG 34 -2.881 10.497 -15.156 240 HB2 ARG 34 1HB ARG 34 -4.174 8.080 -13.895 241 HB3 ARG 34 2HB ARG 34 -5.095 9.337 -14.709 242 HG2 ARG 34 1HG ARG 34 -2.839 7.986 -16.124 243 HG3 ARG 34 2HG ARG 34 -4.413 7.198 -15.999 244 HD2 ARG 34 1HD ARG 34 -5.412 9.320 -16.932 245 HD3 ARG 34 2HD ARG 34 -3.764 9.845 -17.277 246 HE ARG 34 HE ARG 34 -4.117 7.308 -18.388 247 HH11 ARG 34 1HH1 ARG 34 -5.299 10.557 -18.800 248 HH12 ARG 34 2HH1 ARG 34 -5.609 10.369 -20.494 249 HH21 ARG 34 1HH2 ARG 34 -4.521 7.048 -20.618 250 HH22 ARG 34 2HH2 ARG 34 -5.168 8.372 -21.527 251 H ASN 35 H ASN 35 -3.431 9.161 -11.895 252 HA ASN 35 HA ASN 35 -3.570 11.767 -10.730 253 HB2 ASN 35 1HB ASN 35 -5.889 11.201 -11.885 254 HB3 ASN 35 2HB ASN 35 -6.137 10.275 -10.408 255 HD21 ASN 35 1HD2 ASN 35 -6.289 11.346 -8.441 256 HD22 ASN 35 2HD2 ASN 35 -6.579 13.047 -8.343 257 H LEU 36 H LEU 36 -2.647 11.520 -8.814 258 HA LEU 36 HA LEU 36 -2.237 8.981 -7.620 259 HB2 LEU 36 1HB LEU 36 -0.876 11.197 -7.445 260 HB3 LEU 36 2HB LEU 36 -1.966 11.543 -6.104 261 HG LEU 36 HG LEU 36 -1.158 9.139 -5.319 262 HD11 LEU 36 1HD1 LEU 36 1.502 9.621 -5.990 263 HD12 LEU 36 2HD1 LEU 36 0.608 9.787 -7.501 264 HD13 LEU 36 3HD1 LEU 36 0.480 8.301 -6.559 265 HD21 LEU 36 3HD2 LEU 36 0.374 10.222 -3.851 266 HD22 LEU 36 1HD2 LEU 36 -0.951 11.346 -4.151 267 HD23 LEU 36 2HD2 LEU 36 0.594 11.565 -4.973 268 H SER 37 H SER 37 -4.083 11.807 -6.456 269 HA SER 37 HA SER 37 -5.226 10.857 -4.210 270 HB2 SER 37 1HB SER 37 -5.652 13.102 -5.256 271 HB3 SER 37 2HB SER 37 -6.821 12.322 -6.322 272 HG SER 37 HG SER 37 -8.146 12.735 -4.736 273 H ARG 38 H ARG 38 -5.987 9.862 -7.470 274 HA ARG 38 HA ARG 38 -8.241 8.246 -6.583 275 HB2 ARG 38 1HB ARG 38 -8.355 9.501 -8.722 276 HB3 ARG 38 2HB ARG 38 -7.033 8.521 -9.340 277 HG2 ARG 38 1HG ARG 38 -8.866 7.467 -10.236 278 HG3 ARG 38 2HG ARG 38 -8.591 6.524 -8.770 279 HD2 ARG 38 1HD ARG 38 -10.948 7.014 -9.000 280 HD3 ARG 38 2HD ARG 38 -10.290 7.877 -7.610 281 HE ARG 38 HE ARG 38 -10.206 9.534 -9.889 282 HH11 ARG 38 1HH1 ARG 38 -12.455 8.150 -7.621 283 HH12 ARG 38 2HH1 ARG 38 -13.611 9.431 -7.787 284 HH21 ARG 38 1HH2 ARG 38 -11.719 11.225 -10.116 285 HH22 ARG 38 2HH2 ARG 38 -13.192 11.178 -9.207 286 H ASP 39 H ASP 39 -5.424 7.540 -8.654 287 HA ASP 39 HA ASP 39 -5.355 4.871 -8.662 288 HB2 ASP 39 1HB ASP 39 -3.042 6.761 -8.240 289 HB3 ASP 39 2HB ASP 39 -2.813 5.034 -8.502 290 H PHE 40 H PHE 40 -4.337 6.862 -5.921 291 HA PHE 40 HA PHE 40 -3.639 4.576 -4.314 292 HB2 PHE 40 1HB PHE 40 -3.681 7.537 -3.912 293 HB3 PHE 40 2HB PHE 40 -3.653 6.494 -2.494 294 HD1 PHE 40 2HD PHE 40 -1.935 6.582 -5.811 295 HD2 PHE 40 1HD PHE 40 -1.577 6.213 -1.586 296 HE1 PHE 40 2HE PHE 40 0.502 6.342 -6.042 297 HE2 PHE 40 1HE PHE 40 0.862 5.973 -1.810 298 HZ PHE 40 HZ PHE 40 1.904 6.036 -4.040 299 H SER 41 H SER 41 -6.285 6.933 -4.408 300 HA SER 41 HA SER 41 -7.696 6.165 -2.163 301 HB2 SER 41 1HB SER 41 -8.432 7.417 -4.761 302 HB3 SER 41 2HB SER 41 -9.747 6.797 -3.762 303 HG SER 41 HG SER 41 -9.214 8.998 -3.309 304 H ASP 42 H ASP 42 -7.589 4.663 -5.336 305 HA ASP 42 HA ASP 42 -9.740 2.860 -4.929 306 HB2 ASP 42 1HB ASP 42 -8.989 3.342 -7.173 307 HB3 ASP 42 2HB ASP 42 -7.372 2.748 -6.805 308 H GLY 43 H GLY 43 -6.265 2.670 -4.341 309 HA2 GLY 43 1HA GLY 43 -5.382 1.370 -2.543 310 HA3 GLY 43 2HA GLY 43 -6.761 0.291 -2.689 311 H VAL 44 H VAL 44 -6.699 -0.165 -5.452 312 HA VAL 44 HA VAL 44 -5.113 -2.360 -5.726 313 HB VAL 44 HB VAL 44 -5.853 -0.438 -7.937 314 HG11 VAL 44 1HG1 VAL 44 -4.013 -2.130 -8.410 315 HG12 VAL 44 2HG1 VAL 44 -5.256 -3.369 -8.229 316 HG13 VAL 44 3HG1 VAL 44 -5.406 -2.145 -9.491 317 HG21 VAL 44 3HG2 VAL 44 -7.345 -2.933 -7.686 318 HG22 VAL 44 1HG2 VAL 44 -7.530 -1.862 -6.297 319 HG23 VAL 44 2HG2 VAL 44 -7.925 -1.283 -7.915 320 H LEU 45 H LEU 45 -4.205 0.990 -6.324 321 HA LEU 45 HA LEU 45 -1.661 0.395 -7.460 322 HB2 LEU 45 1HB LEU 45 -3.103 2.567 -7.548 323 HB3 LEU 45 2HB LEU 45 -2.255 2.964 -6.055 324 HG LEU 45 HG LEU 45 -1.151 4.050 -7.881 325 HD11 LEU 45 1HD1 LEU 45 0.727 1.804 -7.494 326 HD12 LEU 45 2HD1 LEU 45 0.118 2.586 -6.036 327 HD13 LEU 45 3HD1 LEU 45 0.960 3.537 -7.260 328 HD21 LEU 45 3HD2 LEU 45 -0.547 1.425 -9.183 329 HD22 LEU 45 1HD2 LEU 45 -0.489 3.051 -9.862 330 HD23 LEU 45 2HD2 LEU 45 -2.045 2.282 -9.548 331 H VAL 46 H VAL 46 -2.736 1.361 -4.218 332 HA VAL 46 HA VAL 46 -0.374 1.690 -2.901 333 HB VAL 46 HB VAL 46 -2.813 0.235 -1.870 334 HG11 VAL 46 1HG1 VAL 46 -1.837 -0.001 0.119 335 HG12 VAL 46 2HG1 VAL 46 -0.310 0.359 -0.690 336 HG13 VAL 46 3HG1 VAL 46 -1.220 1.651 0.094 337 HG21 VAL 46 3HG2 VAL 46 -3.702 2.261 -1.289 338 HG22 VAL 46 1HG2 VAL 46 -2.125 3.039 -1.155 339 HG23 VAL 46 2HG2 VAL 46 -2.823 2.728 -2.744 340 H ALA 47 H ALA 47 -1.924 -1.383 -3.721 341 HA ALA 47 HA ALA 47 -0.258 -3.125 -2.342 342 HB1 ALA 47 3HB ALA 47 -1.549 -3.575 -5.030 343 HB2 ALA 47 1HB ALA 47 -0.948 -4.827 -3.942 344 HB3 ALA 47 2HB ALA 47 -2.318 -3.824 -3.462 345 H GLU 48 H GLU 48 0.066 -2.000 -5.711 346 HA GLU 48 HA GLU 48 2.347 -3.299 -6.461 347 HB2 GLU 48 1HB GLU 48 1.480 -0.475 -7.080 348 HB3 GLU 48 2HB GLU 48 2.844 -1.254 -7.870 349 HG2 GLU 48 1HG GLU 48 0.094 -2.451 -7.883 350 HG3 GLU 48 2HG GLU 48 0.622 -1.281 -9.091 351 H VAL 49 H VAL 49 2.098 -0.399 -4.465 352 HA VAL 49 HA VAL 49 4.818 0.256 -4.339 353 HB VAL 49 HB VAL 49 2.716 0.661 -2.206 354 HG11 VAL 49 1HG1 VAL 49 5.391 0.970 -1.898 355 HG12 VAL 49 2HG1 VAL 49 4.931 2.572 -2.476 356 HG13 VAL 49 3HG1 VAL 49 4.174 1.904 -1.029 357 HG21 VAL 49 3HG2 VAL 49 1.942 1.687 -4.199 358 HG22 VAL 49 1HG2 VAL 49 2.630 2.974 -3.209 359 HG23 VAL 49 2HG2 VAL 49 3.542 2.328 -4.573 360 H ILE 50 H ILE 50 2.883 -2.001 -2.443 361 HA ILE 50 HA ILE 50 4.854 -2.583 -0.498 362 HB ILE 50 HB ILE 50 2.651 -4.425 -1.428 363 HG12 ILE 50 1HG1 ILE 50 2.460 -2.477 0.861 364 HG13 ILE 50 2HG1 ILE 50 1.974 -2.030 -0.771 365 HG21 ILE 50 1HG2 ILE 50 4.459 -4.326 0.939 366 HG22 ILE 50 2HG2 ILE 50 2.830 -4.973 1.129 367 HG23 ILE 50 3HG2 ILE 50 3.940 -5.708 -0.027 368 HD11 ILE 50 3HD1 ILE 50 0.568 -4.257 -0.568 369 HD12 ILE 50 1HD1 ILE 50 0.698 -3.886 1.151 370 HD13 ILE 50 2HD1 ILE 50 -0.025 -2.715 0.048 371 H LYS 51 H LYS 51 4.256 -3.764 -3.723 372 HA LYS 51 HA LYS 51 5.578 -6.178 -3.746 373 HB2 LYS 51 1HB LYS 51 4.359 -5.155 -5.669 374 HB3 LYS 51 2HB LYS 51 5.730 -4.082 -5.920 375 HG2 LYS 51 1HG LYS 51 6.167 -5.730 -7.447 376 HG3 LYS 51 2HG LYS 51 7.083 -6.310 -6.054 377 HD2 LYS 51 1HD LYS 51 5.381 -7.880 -5.491 378 HD3 LYS 51 2HD LYS 51 4.260 -7.174 -6.657 379 HE2 LYS 51 1HE LYS 51 6.883 -8.422 -7.444 380 HE3 LYS 51 2HE LYS 51 5.376 -9.332 -7.352 381 HZ1 LYS 51 3HZ LYS 51 5.322 -6.869 -8.905 382 HZ2 LYS 51 1HZ LYS 51 4.564 -8.352 -9.200 383 HZ3 LYS 51 2HZ LYS 51 6.204 -8.153 -9.564 384 H PHE 52 H PHE 52 6.951 -2.928 -3.919 385 HA PHE 52 HA PHE 52 9.598 -3.622 -4.478 386 HB2 PHE 52 1HB PHE 52 8.633 -1.303 -4.513 387 HB3 PHE 52 2HB PHE 52 8.698 -1.309 -2.754 388 HD1 PHE 52 2HD PHE 52 11.008 -1.749 -1.687 389 HD2 PHE 52 1HD PHE 52 10.448 -0.564 -5.737 390 HE1 PHE 52 2HE PHE 52 13.333 -0.950 -1.771 391 HE2 PHE 52 1HE PHE 52 12.772 0.236 -5.828 392 HZ PHE 52 HZ PHE 52 14.218 0.045 -3.843 393 H TYR 53 H TYR 53 7.763 -3.823 -1.543 394 HA TYR 53 HA TYR 53 10.164 -4.334 0.046 395 HB2 TYR 53 1HB TYR 53 7.267 -4.090 0.882 396 HB3 TYR 53 2HB TYR 53 8.624 -4.317 1.979 397 HD1 TYR 53 2HD TYR 53 7.141 -1.971 -0.477 398 HD2 TYR 53 1HD TYR 53 9.911 -2.479 2.713 399 HE1 TYR 53 2HE TYR 53 7.443 0.467 -0.359 400 HE2 TYR 53 1HE TYR 53 10.220 -0.042 2.841 401 HH TYR 53 HH TYR 53 9.842 1.966 0.885 402 H PHE 54 H PHE 54 6.940 -5.848 -0.132 403 HA PHE 54 HA PHE 54 8.255 -8.473 -0.238 404 HB2 PHE 54 1HB PHE 54 5.860 -7.843 1.497 405 HB3 PHE 54 2HB PHE 54 6.703 -9.384 1.386 406 HD1 PHE 54 1HD PHE 54 9.256 -9.299 1.974 407 HD2 PHE 54 2HD PHE 54 6.391 -6.402 3.208 408 HE1 PHE 54 1HE PHE 54 10.739 -8.621 3.817 409 HE2 PHE 54 2HE PHE 54 7.870 -5.719 5.051 410 HZ PHE 54 HZ PHE 54 10.048 -6.828 5.357 411 HA PRO 55 HA PRO 55 5.465 -8.975 -3.642 412 HB2 PRO 55 1HB PRO 55 5.957 -11.609 -4.080 413 HB3 PRO 55 2HB PRO 55 7.082 -10.330 -4.554 414 HG2 PRO 55 1HG PRO 55 7.138 -12.105 -2.144 415 HG3 PRO 55 2HG PRO 55 8.473 -11.613 -3.203 416 HD2 PRO 55 1HD PRO 55 8.018 -10.455 -0.798 417 HD3 PRO 55 2HD PRO 55 8.701 -9.563 -2.173 418 H LYS 56 H LYS 56 5.545 -11.619 -1.242 419 HA LYS 56 HA LYS 56 2.984 -12.606 -1.716 420 HB2 LYS 56 1HB LYS 56 3.150 -13.674 0.461 421 HB3 LYS 56 2HB LYS 56 4.692 -13.778 -0.379 422 HG2 LYS 56 1HG LYS 56 5.694 -12.198 1.015 423 HG3 LYS 56 2HG LYS 56 4.141 -11.596 1.600 424 HD2 LYS 56 1HD LYS 56 4.843 -14.449 2.094 425 HD3 LYS 56 2HD LYS 56 5.632 -13.205 3.067 426 HE2 LYS 56 1HE LYS 56 3.159 -12.327 3.325 427 HE3 LYS 56 2HE LYS 56 2.765 -14.004 2.952 428 HZ1 LYS 56 3HZ LYS 56 3.438 -14.675 4.955 429 HZ2 LYS 56 1HZ LYS 56 3.360 -13.048 5.409 430 HZ3 LYS 56 2HZ LYS 56 4.835 -13.721 4.928 431 H MET 57 H MET 57 4.036 -9.819 0.074 432 HA MET 57 HA MET 57 1.630 -9.441 1.558 433 HB2 MET 57 1HB MET 57 3.965 -7.662 0.894 434 HB3 MET 57 2HB MET 57 2.570 -7.058 1.778 435 HG2 MET 57 1HG MET 57 4.190 -9.429 2.660 436 HG3 MET 57 2HG MET 57 4.510 -7.777 3.182 437 HE1 MET 57 3HE MET 57 1.471 -6.762 5.178 438 HE2 MET 57 1HE MET 57 3.184 -6.862 5.589 439 HE3 MET 57 2HE MET 57 2.691 -6.271 4.002 440 H VAL 58 H VAL 58 2.767 -8.458 -1.602 441 HA VAL 58 HA VAL 58 0.998 -6.402 -2.190 442 HB VAL 58 HB VAL 58 2.102 -8.515 -4.045 443 HG11 VAL 58 1HG1 VAL 58 1.678 -6.674 -5.775 444 HG12 VAL 58 2HG1 VAL 58 0.291 -7.611 -5.218 445 HG13 VAL 58 3HG1 VAL 58 0.573 -5.990 -4.583 446 HG21 VAL 58 3HG2 VAL 58 3.040 -5.679 -3.694 447 HG22 VAL 58 1HG2 VAL 58 3.703 -7.023 -2.763 448 HG23 VAL 58 2HG2 VAL 58 3.855 -7.007 -4.520 449 H GLU 59 H GLU 59 0.599 -9.739 -3.384 450 HA GLU 59 HA GLU 59 -1.251 -10.996 -3.800 451 HB2 GLU 59 1HB GLU 59 -1.536 -10.317 -1.275 452 HB3 GLU 59 2HB GLU 59 -2.864 -9.346 -1.896 453 HG2 GLU 59 1HG GLU 59 -3.546 -11.575 -1.067 454 HG3 GLU 59 2HG GLU 59 -3.973 -11.276 -2.751 455 H MET 60 H MET 60 -0.871 -9.204 -5.706 456 HA MET 60 HA MET 60 -3.284 -7.632 -6.110 457 HB2 MET 60 1HB MET 60 -0.630 -7.839 -7.460 458 HB3 MET 60 2HB MET 60 -1.993 -7.222 -8.385 459 HG2 MET 60 1HG MET 60 -1.286 -6.090 -5.705 460 HG3 MET 60 2HG MET 60 -0.486 -5.548 -7.179 461 HE1 MET 60 3HE MET 60 -4.475 -5.881 -5.804 462 HE2 MET 60 1HE MET 60 -3.114 -5.366 -4.807 463 HE3 MET 60 2HE MET 60 -4.273 -4.176 -5.398 464 H HIS 61 H HIS 61 -3.988 -10.233 -5.965 465 HA HIS 61 HA HIS 61 -4.524 -10.963 -8.770 466 HB2 HIS 61 1HB HIS 61 -3.100 -12.648 -7.811 467 HB3 HIS 61 2HB HIS 61 -4.113 -12.759 -6.375 468 HD1 HIS 61 1HD HIS 61 -5.970 -14.433 -6.427 469 HD2 HIS 61 2HD HIS 61 -4.381 -13.709 -10.197 470 HE1 HIS 61 1HE HIS 61 -7.046 -16.123 -7.946 471 HE2 HIS 61 2HE HIS 61 -6.006 -15.722 -10.204 472 H ASN 62 H ASN 62 -5.787 -11.205 -5.452 473 HA ASN 62 HA ASN 62 -8.419 -11.908 -6.239 474 HB2 ASN 62 1HB ASN 62 -8.995 -11.736 -3.966 475 HB3 ASN 62 2HB ASN 62 -7.298 -12.208 -3.941 476 HD21 ASN 62 1HD2 ASN 62 -5.923 -11.001 -2.827 477 HD22 ASN 62 2HD2 ASN 62 -6.264 -9.440 -2.170 478 H TYR 63 H TYR 63 -7.017 -8.831 -5.118 479 HA TYR 63 HA TYR 63 -9.319 -7.275 -5.345 480 HB2 TYR 63 1HB TYR 63 -6.508 -6.297 -5.858 481 HB3 TYR 63 2HB TYR 63 -7.876 -5.361 -5.266 482 HD1 TYR 63 2HD TYR 63 -8.856 -6.047 -2.980 483 HD2 TYR 63 1HD TYR 63 -5.021 -7.277 -4.352 484 HE1 TYR 63 2HE TYR 63 -8.187 -6.527 -0.662 485 HE2 TYR 63 1HE TYR 63 -4.342 -7.761 -2.039 486 HH TYR 63 HH TYR 63 -4.898 -7.585 0.119 487 H VAL 64 H VAL 64 -9.941 -5.725 -6.946 488 HA VAL 64 HA VAL 64 -8.847 -6.073 -9.629 489 HB VAL 64 HB VAL 64 -11.773 -6.489 -9.000 490 HG11 VAL 64 1HG1 VAL 64 -12.263 -6.432 -11.236 491 HG12 VAL 64 2HG1 VAL 64 -10.981 -5.221 -11.169 492 HG13 VAL 64 3HG1 VAL 64 -10.622 -6.858 -11.720 493 HG21 VAL 64 3HG2 VAL 64 -10.749 -8.519 -8.523 494 HG22 VAL 64 1HG2 VAL 64 -11.221 -8.706 -10.212 495 HG23 VAL 64 2HG2 VAL 64 -9.548 -8.328 -9.801 496 HA PRO 65 HA PRO 65 -9.488 -1.705 -9.658 497 HB2 PRO 65 1HB PRO 65 -9.132 -1.291 -12.317 498 HB3 PRO 65 2HB PRO 65 -7.796 -1.630 -11.210 499 HG2 PRO 65 1HG PRO 65 -9.237 -3.487 -13.064 500 HG3 PRO 65 2HG PRO 65 -7.498 -3.352 -12.744 501 HD2 PRO 65 1HD PRO 65 -9.040 -5.274 -11.622 502 HD3 PRO 65 2HD PRO 65 -7.633 -4.575 -10.795 503 H ALA 66 H ALA 66 -11.499 -0.969 -9.334 504 HA ALA 66 HA ALA 66 -13.482 -1.362 -11.480 505 HB1 ALA 66 3HB ALA 66 -15.203 -1.615 -9.932 506 HB2 ALA 66 1HB ALA 66 -13.875 -2.539 -9.229 507 HB3 ALA 66 2HB ALA 66 -14.251 -0.928 -8.616 508 H ASN 67 H ASN 67 -14.980 0.362 -11.835 509 HA ASN 67 HA ASN 67 -13.866 2.980 -11.096 510 HB2 ASN 67 1HB ASN 67 -15.395 3.734 -13.055 511 HB3 ASN 67 2HB ASN 67 -13.897 2.887 -13.429 512 HD21 ASN 67 1HD2 ASN 67 -14.248 1.675 -15.142 513 HD22 ASN 67 2HD2 ASN 67 -15.600 0.626 -15.383 514 H SER 68 H SER 68 -15.482 1.564 -9.249 515 HA SER 68 HA SER 68 -17.780 3.393 -9.102 516 HB2 SER 68 1HB SER 68 -19.134 1.547 -8.131 517 HB3 SER 68 2HB SER 68 -18.660 1.235 -9.800 518 HG SER 68 HG SER 68 -18.371 -0.491 -8.096 519 H LEU 69 H LEU 69 -17.947 4.440 -7.225 520 HA LEU 69 HA LEU 69 -15.998 4.474 -5.291 521 HB2 LEU 69 1HB LEU 69 -17.923 6.100 -5.685 522 HB3 LEU 69 2HB LEU 69 -18.885 5.028 -4.668 523 HG LEU 69 HG LEU 69 -18.121 6.876 -3.346 524 HD11 LEU 69 1HD1 LEU 69 -16.269 4.685 -2.520 525 HD12 LEU 69 2HD1 LEU 69 -18.011 4.416 -2.507 526 HD13 LEU 69 3HD1 LEU 69 -17.312 5.708 -1.532 527 HD21 LEU 69 3HD2 LEU 69 -15.297 6.106 -4.061 528 HD22 LEU 69 1HD2 LEU 69 -15.823 7.477 -3.084 529 HD23 LEU 69 2HD2 LEU 69 -16.180 7.437 -4.811 530 H GLN 70 H GLN 70 -19.182 2.893 -4.968 531 HA GLN 70 HA GLN 70 -19.027 1.735 -2.549 532 HB2 GLN 70 1HB GLN 70 -20.056 0.614 -5.139 533 HB3 GLN 70 2HB GLN 70 -20.171 -0.310 -3.648 534 HG2 GLN 70 1HG GLN 70 -21.199 2.488 -3.744 535 HG3 GLN 70 2HG GLN 70 -22.155 1.170 -4.419 536 HE21 GLN 70 1HE2 GLN 70 -21.273 2.840 -1.624 537 HE22 GLN 70 2HE2 GLN 70 -22.028 1.804 -0.467 538 H GLN 71 H GLN 71 -17.693 0.210 -5.485 539 HA GLN 71 HA GLN 71 -16.493 -1.967 -4.219 540 HB2 GLN 71 1HB GLN 71 -16.838 -1.448 -6.746 541 HB3 GLN 71 2HB GLN 71 -15.261 -0.677 -6.632 542 HG2 GLN 71 1HG GLN 71 -14.924 -2.888 -7.413 543 HG3 GLN 71 2HG GLN 71 -14.358 -2.824 -5.745 544 HE21 GLN 71 1HE2 GLN 71 -14.569 -5.087 -5.615 545 HE22 GLN 71 2HE2 GLN 71 -16.114 -5.833 -5.414 546 H LYS 72 H LYS 72 -15.031 1.135 -5.185 547 HA LYS 72 HA LYS 72 -12.463 0.903 -4.480 548 HB2 LYS 72 1HB LYS 72 -14.232 3.202 -3.624 549 HB3 LYS 72 2HB LYS 72 -12.479 3.253 -3.755 550 HG2 LYS 72 1HG LYS 72 -14.046 2.461 -6.151 551 HG3 LYS 72 2HG LYS 72 -14.034 4.160 -5.673 552 HD2 LYS 72 1HD LYS 72 -11.731 4.355 -5.983 553 HD3 LYS 72 2HD LYS 72 -11.478 2.610 -5.909 554 HE2 LYS 72 1HE LYS 72 -11.243 3.092 -8.172 555 HE3 LYS 72 2HE LYS 72 -12.910 2.530 -8.047 556 HZ1 LYS 72 3HZ LYS 72 -13.725 4.695 -8.237 557 HZ2 LYS 72 1HZ LYS 72 -12.487 4.622 -9.388 558 HZ3 LYS 72 2HZ LYS 72 -12.223 5.403 -7.911 559 H LEU 73 H LEU 73 -14.986 1.720 -2.092 560 HA LEU 73 HA LEU 73 -13.333 1.581 0.164 561 HB2 LEU 73 1HB LEU 73 -16.268 1.429 -0.311 562 HB3 LEU 73 2HB LEU 73 -15.649 0.985 1.278 563 HG LEU 73 HG LEU 73 -15.134 3.647 -0.041 564 HD11 LEU 73 1HD1 LEU 73 -17.103 4.405 0.651 565 HD12 LEU 73 2HD1 LEU 73 -16.895 3.688 2.248 566 HD13 LEU 73 3HD1 LEU 73 -17.567 2.727 0.931 567 HD21 LEU 73 3HD2 LEU 73 -13.492 2.985 1.643 568 HD22 LEU 73 1HD2 LEU 73 -14.790 2.695 2.801 569 HD23 LEU 73 2HD2 LEU 73 -14.484 4.329 2.210 570 H SER 74 H SER 74 -15.337 -0.888 -1.396 571 HA SER 74 HA SER 74 -15.180 -2.947 0.398 572 HB2 SER 74 1HB SER 74 -16.250 -2.815 -1.994 573 HB3 SER 74 2HB SER 74 -14.728 -3.544 -2.506 574 HG SER 74 HG SER 74 -15.396 -5.373 -1.736 575 H ASN 75 H ASN 75 -12.880 -2.481 -2.293 576 HA ASN 75 HA ASN 75 -11.057 -4.421 -1.717 577 HB2 ASN 75 1HB ASN 75 -10.530 -1.611 -2.703 578 HB3 ASN 75 2HB ASN 75 -9.331 -2.901 -2.725 579 HD21 ASN 75 1HD2 ASN 75 -9.344 -2.399 -5.038 580 HD22 ASN 75 2HD2 ASN 75 -10.510 -3.181 -6.045 581 H TRP 76 H TRP 76 -10.888 -1.079 -0.479 582 HA TRP 76 HA TRP 76 -8.691 -1.273 1.136 583 HB2 TRP 76 1HB TRP 76 -11.196 0.330 1.259 584 HB3 TRP 76 2HB TRP 76 -10.168 0.323 2.689 585 HD1 TRP 76 HD TRP 76 -10.534 1.946 -0.639 586 HE1 TRP 76 1HE TRP 76 -8.518 3.477 -1.105 587 HE3 TRP 76 3HE TRP 76 -7.447 0.394 3.129 588 HZ2 TRP 76 2HZ TRP 76 -5.958 3.963 -0.020 589 HZ3 TRP 76 3HZ TRP 76 -5.231 1.442 3.346 590 HH2 TRP 76 HH TRP 76 -4.504 3.189 1.802 591 H GLY 77 H GLY 77 -12.043 -1.807 2.259 592 HA2 GLY 77 1HA GLY 77 -11.659 -2.601 4.812 593 HA3 GLY 77 2HA GLY 77 -12.845 -3.370 3.767 594 H HIS 78 H HIS 78 -11.088 -4.625 1.964 595 HA HIS 78 HA HIS 78 -10.414 -6.948 3.489 596 HB2 HIS 78 1HB HIS 78 -10.291 -6.181 0.602 597 HB3 HIS 78 2HB HIS 78 -9.371 -7.582 1.145 598 HD1 HIS 78 1HD HIS 78 -10.968 -9.355 2.597 599 HD2 HIS 78 2HD HIS 78 -12.811 -6.812 -0.123 600 HE1 HIS 78 1HE HIS 78 -13.204 -10.398 2.109 601 HE2 HIS 78 2HE HIS 78 -14.266 -8.887 0.397 602 H LEU 79 H LEU 79 -8.529 -4.514 1.716 603 HA LEU 79 HA LEU 79 -5.992 -5.590 2.181 604 HB2 LEU 79 1HB LEU 79 -6.751 -3.636 0.667 605 HB3 LEU 79 2HB LEU 79 -6.489 -2.638 2.096 606 HG LEU 79 HG LEU 79 -4.115 -3.797 2.041 607 HD11 LEU 79 1HD1 LEU 79 -3.324 -4.276 -0.157 608 HD12 LEU 79 2HD1 LEU 79 -4.859 -3.791 -0.877 609 HD13 LEU 79 3HD1 LEU 79 -4.771 -5.246 0.116 610 HD21 LEU 79 3HD2 LEU 79 -3.619 -1.887 0.205 611 HD22 LEU 79 1HD2 LEU 79 -3.913 -1.557 1.912 612 HD23 LEU 79 2HD2 LEU 79 -5.225 -1.396 0.745 613 H ASN 80 H ASN 80 -8.189 -4.324 4.384 614 HA ASN 80 HA ASN 80 -6.237 -3.290 6.254 615 HB2 ASN 80 1HB ASN 80 -8.448 -2.249 6.132 616 HB3 ASN 80 2HB ASN 80 -9.208 -3.778 6.560 617 HD21 ASN 80 1HD2 ASN 80 -9.993 -1.961 8.141 618 HD22 ASN 80 2HD2 ASN 80 -9.164 -1.936 9.657 619 H ARG 81 H ARG 81 -8.160 -6.198 5.806 620 HA ARG 81 HA ARG 81 -6.912 -7.367 8.200 621 HB2 ARG 81 1HB ARG 81 -9.399 -8.166 6.681 622 HB3 ARG 81 2HB ARG 81 -8.713 -9.098 8.005 623 HG2 ARG 81 1HG ARG 81 -9.041 -7.183 9.505 624 HG3 ARG 81 2HG ARG 81 -9.773 -6.286 8.173 625 HD2 ARG 81 1HD ARG 81 -10.801 -8.925 9.203 626 HD3 ARG 81 2HD ARG 81 -11.408 -7.356 9.731 627 HE ARG 81 HE ARG 81 -11.611 -7.303 7.004 628 HH11 ARG 81 1HH1 ARG 81 -12.792 -9.377 9.539 629 HH12 ARG 81 2HH1 ARG 81 -14.228 -9.827 8.680 630 HH21 ARG 81 1HH2 ARG 81 -13.498 -7.887 5.864 631 HH22 ARG 81 2HH2 ARG 81 -14.628 -8.980 6.589 632 H LYS 82 H LYS 82 -6.404 -7.184 4.993 633 HA LYS 82 HA LYS 82 -5.480 -9.969 4.758 634 HB2 LYS 82 1HB LYS 82 -6.249 -7.929 2.676 635 HB3 LYS 82 2HB LYS 82 -5.358 -9.391 2.273 636 HG2 LYS 82 1HG LYS 82 -8.016 -9.415 3.678 637 HG3 LYS 82 2HG LYS 82 -7.838 -9.499 1.924 638 HD2 LYS 82 1HD LYS 82 -6.401 -11.416 3.731 639 HD3 LYS 82 2HD LYS 82 -8.071 -11.702 3.235 640 HE2 LYS 82 1HE LYS 82 -6.993 -12.815 1.563 641 HE3 LYS 82 2HE LYS 82 -7.056 -11.209 0.840 642 HZ1 LYS 82 3HZ LYS 82 -4.798 -12.750 1.457 643 HZ2 LYS 82 1HZ LYS 82 -4.755 -11.357 2.416 644 HZ3 LYS 82 2HZ LYS 82 -4.860 -11.222 0.734 645 H VAL 83 H VAL 83 -4.526 -6.619 4.645 646 HA VAL 83 HA VAL 83 -1.734 -7.457 4.199 647 HB VAL 83 HB VAL 83 -3.091 -4.857 3.493 648 HG11 VAL 83 1HG1 VAL 83 -0.512 -4.746 2.507 649 HG12 VAL 83 2HG1 VAL 83 -1.140 -3.855 3.895 650 HG13 VAL 83 3HG1 VAL 83 -0.312 -5.394 4.135 651 HG21 VAL 83 3HG2 VAL 83 -1.911 -5.579 1.248 652 HG22 VAL 83 1HG2 VAL 83 -2.030 -7.183 1.971 653 HG23 VAL 83 2HG2 VAL 83 -3.487 -6.227 1.701 654 H LEU 84 H LEU 84 -3.223 -4.488 5.466 655 HA LEU 84 HA LEU 84 -1.369 -3.708 7.250 656 HB2 LEU 84 1HB LEU 84 -4.327 -3.739 7.826 657 HB3 LEU 84 2HB LEU 84 -3.130 -2.690 8.581 658 HG LEU 84 HG LEU 84 -3.949 -2.631 5.677 659 HD11 LEU 84 1HD1 LEU 84 -5.564 -1.229 6.255 660 HD12 LEU 84 2HD1 LEU 84 -4.420 -0.215 7.134 661 HD13 LEU 84 3HD1 LEU 84 -5.211 -1.563 7.950 662 HD21 LEU 84 3HD2 LEU 84 -2.655 -0.314 6.119 663 HD22 LEU 84 1HD2 LEU 84 -1.877 -1.761 5.477 664 HD23 LEU 84 2HD2 LEU 84 -1.751 -1.380 7.195 665 H LYS 85 H LYS 85 -3.952 -6.042 8.000 666 HA LYS 85 HA LYS 85 -3.572 -6.636 10.583 667 HB2 LYS 85 1HB LYS 85 -5.006 -7.839 8.778 668 HB3 LYS 85 2HB LYS 85 -3.628 -8.922 8.636 669 HG2 LYS 85 1HG LYS 85 -3.851 -9.145 11.206 670 HG3 LYS 85 2HG LYS 85 -5.478 -8.511 10.944 671 HD2 LYS 85 1HD LYS 85 -5.922 -10.327 9.358 672 HD3 LYS 85 2HD LYS 85 -4.298 -10.961 9.631 673 HE2 LYS 85 1HE LYS 85 -6.419 -10.653 11.754 674 HE3 LYS 85 2HE LYS 85 -6.036 -12.158 10.919 675 HZ1 LYS 85 3HZ LYS 85 -4.291 -12.497 12.231 676 HZ2 LYS 85 1HZ LYS 85 -4.885 -11.260 13.220 677 HZ3 LYS 85 2HZ LYS 85 -3.720 -10.916 12.044 678 H ARG 86 H ARG 86 -1.549 -7.960 7.970 679 HA ARG 86 HA ARG 86 0.175 -9.479 9.533 680 HB2 ARG 86 1HB ARG 86 0.799 -7.978 6.983 681 HB3 ARG 86 2HB ARG 86 1.780 -9.266 7.669 682 HG2 ARG 86 1HG ARG 86 -1.080 -9.602 6.794 683 HG3 ARG 86 2HG ARG 86 0.323 -9.981 5.793 684 HD2 ARG 86 1HD ARG 86 1.024 -11.697 7.270 685 HD3 ARG 86 2HD ARG 86 -0.108 -11.179 8.518 686 HE ARG 86 HE ARG 86 -1.727 -11.824 6.453 687 HH11 ARG 86 1HH1 ARG 86 0.858 -13.502 8.071 688 HH12 ARG 86 2HH1 ARG 86 0.194 -15.075 7.781 689 HH21 ARG 86 1HH2 ARG 86 -2.612 -13.890 6.065 690 HH22 ARG 86 2HH2 ARG 86 -1.780 -15.295 6.639 691 H LEU 87 H LEU 87 0.296 -6.048 8.707 692 HA LEU 87 HA LEU 87 2.785 -5.666 10.140 693 HB2 LEU 87 1HB LEU 87 0.917 -3.744 8.765 694 HB3 LEU 87 2HB LEU 87 2.412 -3.262 9.565 695 HG LEU 87 HG LEU 87 2.481 -5.297 7.373 696 HD11 LEU 87 1HD1 LEU 87 2.144 -2.331 7.081 697 HD12 LEU 87 2HD1 LEU 87 1.283 -3.630 6.257 698 HD13 LEU 87 3HD1 LEU 87 2.968 -3.297 5.857 699 HD21 LEU 87 3HD2 LEU 87 4.368 -3.474 8.763 700 HD22 LEU 87 1HD2 LEU 87 4.667 -3.834 7.063 701 HD23 LEU 87 2HD2 LEU 87 4.582 -5.145 8.239 702 H ASN 88 H ASN 88 0.371 -6.610 11.563 703 HA ASN 88 HA ASN 88 -0.915 -6.140 13.407 704 HB2 ASN 88 1HB ASN 88 1.606 -6.342 14.116 705 HB3 ASN 88 2HB ASN 88 1.439 -4.626 14.474 706 HD21 ASN 88 1HD2 ASN 88 1.683 -4.891 16.667 707 HD22 ASN 88 2HD2 ASN 88 0.479 -5.633 17.660 708 H PHE 89 H PHE 89 -1.092 -4.136 11.292 709 HA PHE 89 HA PHE 89 -1.507 -1.678 12.843 710 HB2 PHE 89 1HB PHE 89 -0.153 -1.801 10.609 711 HB3 PHE 89 2HB PHE 89 -1.745 -1.816 9.858 712 HD1 PHE 89 2HD PHE 89 -3.235 0.117 10.069 713 HD2 PHE 89 1HD PHE 89 0.725 0.170 11.627 714 HE1 PHE 89 2HE PHE 89 -3.338 2.569 10.236 715 HE2 PHE 89 1HE PHE 89 0.629 2.622 11.798 716 HZ PHE 89 HZ PHE 89 -1.404 3.825 11.101 717 H SER 90 H SER 90 -3.491 -0.801 13.115 718 HA SER 90 HA SER 90 -5.760 -2.101 11.762 719 HB2 SER 90 1HB SER 90 -7.045 -2.083 13.800 720 HB3 SER 90 2HB SER 90 -5.503 -2.866 14.143 721 HG SER 90 HG SER 90 -6.300 -0.228 14.797 722 H VAL 91 H VAL 91 -7.498 -0.791 11.236 723 HA VAL 91 HA VAL 91 -7.338 2.052 11.909 724 HB VAL 91 HB VAL 91 -7.546 1.021 9.076 725 HG11 VAL 91 1HG1 VAL 91 -7.462 3.903 9.914 726 HG12 VAL 91 2HG1 VAL 91 -7.899 3.221 8.346 727 HG13 VAL 91 3HG1 VAL 91 -8.983 3.031 9.725 728 HG21 VAL 91 3HG2 VAL 91 -5.461 2.912 10.086 729 HG22 VAL 91 1HG2 VAL 91 -5.269 1.174 10.317 730 HG23 VAL 91 2HG2 VAL 91 -5.415 1.837 8.689 731 HA PRO 92 HA PRO 92 -11.682 1.453 12.438 732 HB2 PRO 92 1HB PRO 92 -12.400 4.067 12.589 733 HB3 PRO 92 2HB PRO 92 -11.582 3.219 13.906 734 HG2 PRO 92 1HG PRO 92 -10.437 5.048 11.831 735 HG3 PRO 92 2HG PRO 92 -10.095 4.975 13.570 736 HD2 PRO 92 1HD PRO 92 -8.457 3.876 11.715 737 HD3 PRO 92 2HD PRO 92 -8.657 3.188 13.340 738 H ASP 93 H ASP 93 -13.658 1.736 11.328 739 HA ASP 93 HA ASP 93 -13.477 1.798 8.524 740 HB2 ASP 93 1HB ASP 93 -15.897 2.103 10.314 741 HB3 ASP 93 2HB ASP 93 -15.963 1.819 8.577 742 H ASP 94 H ASP 94 -13.752 4.313 10.830 743 HA ASP 94 HA ASP 94 -15.017 6.259 9.178 744 HB2 ASP 94 1HB ASP 94 -13.457 6.361 11.740 745 HB3 ASP 94 2HB ASP 94 -13.877 7.851 10.900 746 H VAL 95 H VAL 95 -11.640 5.515 9.953 747 HA VAL 95 HA VAL 95 -10.492 7.648 8.509 748 HB VAL 95 HB VAL 95 -9.404 4.985 9.392 749 HG11 VAL 95 1HG1 VAL 95 -8.076 5.317 7.526 750 HG12 VAL 95 2HG1 VAL 95 -8.124 7.075 7.677 751 HG13 VAL 95 3HG1 VAL 95 -7.148 6.118 8.794 752 HG21 VAL 95 3HG2 VAL 95 -9.898 6.837 11.037 753 HG22 VAL 95 1HG2 VAL 95 -8.241 6.232 11.037 754 HG23 VAL 95 2HG2 VAL 95 -8.621 7.763 10.248 755 H MET 96 H MET 96 -11.682 4.519 7.550 756 HA MET 96 HA MET 96 -10.375 4.443 5.013 757 HB2 MET 96 1HB MET 96 -12.776 2.951 6.079 758 HB3 MET 96 2HB MET 96 -12.032 2.629 4.518 759 HG2 MET 96 1HG MET 96 -9.863 2.383 6.000 760 HG3 MET 96 2HG MET 96 -11.053 2.027 7.251 761 HE1 MET 96 3HE MET 96 -12.902 -0.473 6.761 762 HE2 MET 96 1HE MET 96 -11.472 -1.463 7.053 763 HE3 MET 96 2HE MET 96 -11.640 0.100 7.853 764 H ARG 97 H ARG 97 -13.712 5.175 6.021 765 HA ARG 97 HA ARG 97 -14.886 5.697 3.615 766 HB2 ARG 97 1HB ARG 97 -15.216 7.047 6.284 767 HB3 ARG 97 2HB ARG 97 -16.195 7.506 4.897 768 HG2 ARG 97 1HG ARG 97 -16.823 5.044 4.732 769 HG3 ARG 97 2HG ARG 97 -16.123 4.881 6.344 770 HD2 ARG 97 1HD ARG 97 -17.657 6.612 7.168 771 HD3 ARG 97 2HD ARG 97 -18.366 6.739 5.559 772 HE ARG 97 HE ARG 97 -18.483 4.067 6.472 773 HH11 ARG 97 1HH1 ARG 97 -19.938 7.191 6.968 774 HH12 ARG 97 2HH1 ARG 97 -21.457 6.545 7.494 775 HH21 ARG 97 1HH2 ARG 97 -20.478 3.204 7.164 776 HH22 ARG 97 2HH2 ARG 97 -21.763 4.277 7.606 777 H LYS 98 H LYS 98 -12.756 7.833 5.450 778 HA LYS 98 HA LYS 98 -13.049 10.113 3.815 779 HB2 LYS 98 1HB LYS 98 -10.837 9.210 5.657 780 HB3 LYS 98 2HB LYS 98 -10.797 10.752 4.811 781 HG2 LYS 98 1HG LYS 98 -12.503 11.642 6.064 782 HG3 LYS 98 2HG LYS 98 -13.179 10.060 6.463 783 HD2 LYS 98 1HD LYS 98 -11.247 9.621 7.919 784 HD3 LYS 98 2HD LYS 98 -10.606 11.220 7.537 785 HE2 LYS 98 1HE LYS 98 -12.596 12.251 8.513 786 HE3 LYS 98 2HE LYS 98 -13.248 10.655 8.882 787 HZ1 LYS 98 3HZ LYS 98 -12.016 10.523 10.711 788 HZ2 LYS 98 1HZ LYS 98 -11.687 12.172 10.522 789 HZ3 LYS 98 2HZ LYS 98 -10.608 11.019 9.917 790 H ILE 99 H ILE 99 -10.423 7.698 3.913 791 HA ILE 99 HA ILE 99 -8.897 8.585 1.816 792 HB ILE 99 HB ILE 99 -9.495 5.707 2.508 793 HG12 ILE 99 1HG1 ILE 99 -7.120 7.379 3.330 794 HG13 ILE 99 2HG1 ILE 99 -8.564 7.223 4.325 795 HG21 ILE 99 1HG2 ILE 99 -6.881 6.326 1.382 796 HG22 ILE 99 2HG2 ILE 99 -8.012 5.036 0.979 797 HG23 ILE 99 3HG2 ILE 99 -8.210 6.637 0.266 798 HD11 ILE 99 3HD1 ILE 99 -7.342 4.704 3.415 799 HD12 ILE 99 1HD1 ILE 99 -6.412 5.655 4.573 800 HD13 ILE 99 2HD1 ILE 99 -8.049 5.132 4.972 801 H ALA 100 H ALA 100 -11.501 6.158 1.566 802 HA ALA 100 HA ALA 100 -11.477 5.948 -1.224 803 HB1 ALA 100 3HB ALA 100 -13.773 5.514 0.683 804 HB2 ALA 100 1HB ALA 100 -13.716 4.968 -0.993 805 HB3 ALA 100 2HB ALA 100 -12.582 4.311 0.188 806 H GLN 101 H GLN 101 -12.637 8.449 0.807 807 HA GLN 101 HA GLN 101 -14.433 9.533 -1.210 808 HB2 GLN 101 1HB GLN 101 -13.780 10.236 1.629 809 HB3 GLN 101 2HB GLN 101 -14.573 11.417 0.594 810 HG2 GLN 101 1HG GLN 101 -15.698 8.667 0.799 811 HG3 GLN 101 2HG GLN 101 -15.970 9.819 2.106 812 HE21 GLN 101 1HE2 GLN 101 -17.665 8.547 -0.094 813 HE22 GLN 101 2HE2 GLN 101 -18.526 9.884 -0.767 814 H CYS 102 H CYS 102 -11.477 9.332 -1.591 815 HA CYS 102 HA CYS 102 -9.679 10.611 -2.222 816 HB2 CYS 102 1HB CYS 102 -11.981 12.078 -3.524 817 HB3 CYS 102 2HB CYS 102 -10.290 12.304 -3.953 818 HG CYS 102 HG CYS 102 -11.768 9.237 -4.159 819 H ALA 103 H ALA 103 -10.523 11.293 0.366 820 HA ALA 103 HA ALA 103 -10.659 14.170 0.570 821 HB1 ALA 103 3HB ALA 103 -10.550 11.948 2.585 822 HB2 ALA 103 1HB ALA 103 -10.439 13.643 3.058 823 HB3 ALA 103 2HB ALA 103 -11.879 13.051 2.229 824 HA PRO 104 HA PRO 104 -6.253 14.714 0.471 825 HB2 PRO 104 1HB PRO 104 -6.255 17.351 1.113 826 HB3 PRO 104 2HB PRO 104 -6.689 16.754 -0.493 827 HG2 PRO 104 1HG PRO 104 -8.471 17.585 1.764 828 HG3 PRO 104 2HG PRO 104 -8.618 17.940 0.033 829 HD2 PRO 104 1HD PRO 104 -10.065 16.002 1.250 830 HD3 PRO 104 2HD PRO 104 -9.536 15.879 -0.440 831 H GLY 105 H GLY 105 -4.724 14.402 1.978 832 HA2 GLY 105 1HA GLY 105 -3.629 14.448 4.007 833 HA3 GLY 105 2HA GLY 105 -4.803 15.633 4.558 834 H VAL 106 H VAL 106 -5.294 12.310 3.411 835 HA VAL 106 HA VAL 106 -6.208 11.574 6.106 836 HB VAL 106 HB VAL 106 -7.679 10.859 3.566 837 HG11 VAL 106 1HG1 VAL 106 -8.908 9.416 4.754 838 HG12 VAL 106 2HG1 VAL 106 -7.603 9.489 5.940 839 HG13 VAL 106 3HG1 VAL 106 -9.028 10.512 6.130 840 HG21 VAL 106 3HG2 VAL 106 -8.205 13.101 3.879 841 HG22 VAL 106 1HG2 VAL 106 -9.497 12.271 4.747 842 HG23 VAL 106 2HG2 VAL 106 -8.146 12.972 5.637 843 H VAL 107 H VAL 107 -5.739 10.168 2.857 844 HA VAL 107 HA VAL 107 -5.124 7.580 3.756 845 HB VAL 107 HB VAL 107 -5.779 8.050 1.440 846 HG11 VAL 107 1HG1 VAL 107 -4.452 9.198 -0.098 847 HG12 VAL 107 2HG1 VAL 107 -4.336 10.174 1.367 848 HG13 VAL 107 3HG1 VAL 107 -3.016 9.093 0.920 849 HG21 VAL 107 3HG2 VAL 107 -4.639 6.280 0.600 850 HG22 VAL 107 1HG2 VAL 107 -3.069 6.925 1.078 851 HG23 VAL 107 2HG2 VAL 107 -4.099 6.137 2.273 852 H GLU 108 H GLU 108 -3.090 10.386 3.112 853 HA GLU 108 HA GLU 108 -0.588 9.156 3.224 854 HB2 GLU 108 1HB GLU 108 -1.420 11.939 4.052 855 HB3 GLU 108 2HB GLU 108 0.252 11.414 3.912 856 HG2 GLU 108 1HG GLU 108 -0.043 12.402 1.882 857 HG3 GLU 108 2HG GLU 108 -0.485 10.741 1.492 858 H LEU 109 H LEU 109 -2.690 10.325 5.799 859 HA LEU 109 HA LEU 109 -0.921 10.152 7.945 860 HB2 LEU 109 1HB LEU 109 -3.866 9.520 8.008 861 HB3 LEU 109 2HB LEU 109 -2.865 10.035 9.364 862 HG LEU 109 HG LEU 109 -3.352 11.781 6.963 863 HD11 LEU 109 1HD1 LEU 109 -5.506 11.173 7.988 864 HD12 LEU 109 2HD1 LEU 109 -5.112 12.878 8.203 865 HD13 LEU 109 3HD1 LEU 109 -4.910 11.752 9.544 866 HD21 LEU 109 3HD2 LEU 109 -2.656 12.557 9.783 867 HD22 LEU 109 1HD2 LEU 109 -2.552 13.533 8.318 868 HD23 LEU 109 2HD2 LEU 109 -1.429 12.195 8.568 869 H VAL 110 H VAL 110 -2.320 7.674 6.049 870 HA VAL 110 HA VAL 110 -1.688 5.636 8.070 871 HB VAL 110 HB VAL 110 -3.227 5.304 5.491 872 HG11 VAL 110 1HG1 VAL 110 -3.917 3.154 6.499 873 HG12 VAL 110 2HG1 VAL 110 -2.181 3.243 6.190 874 HG13 VAL 110 3HG1 VAL 110 -2.798 3.449 7.830 875 HG21 VAL 110 3HG2 VAL 110 -5.090 4.929 7.341 876 HG22 VAL 110 1HG2 VAL 110 -4.056 6.034 8.247 877 HG23 VAL 110 2HG2 VAL 110 -4.729 6.529 6.694 878 H LEU 111 H LEU 111 -0.542 7.038 5.195 879 HA LEU 111 HA LEU 111 0.929 4.712 4.298 880 HB2 LEU 111 1HB LEU 111 0.995 7.584 3.384 881 HB3 LEU 111 2HB LEU 111 1.859 6.256 2.610 882 HG LEU 111 HG LEU 111 -1.143 6.378 2.853 883 HD11 LEU 111 1HD1 LEU 111 -0.775 8.169 1.463 884 HD12 LEU 111 2HD1 LEU 111 -0.844 6.844 0.302 885 HD13 LEU 111 3HD1 LEU 111 0.716 7.495 0.806 886 HD21 LEU 111 3HD2 LEU 111 0.822 4.524 1.616 887 HD22 LEU 111 1HD2 LEU 111 -0.701 4.806 0.772 888 HD23 LEU 111 2HD2 LEU 111 -0.710 4.181 2.421 889 H ILE 112 H ILE 112 1.502 7.616 6.155 890 HA ILE 112 HA ILE 112 4.297 7.677 6.098 891 HB ILE 112 HB ILE 112 2.223 8.721 7.953 892 HG12 ILE 112 1HG1 ILE 112 4.650 10.080 6.785 893 HG13 ILE 112 2HG1 ILE 112 3.154 9.882 5.880 894 HG21 ILE 112 1HG2 ILE 112 4.331 9.653 9.261 895 HG22 ILE 112 2HG2 ILE 112 3.551 8.138 9.709 896 HG23 ILE 112 3HG2 ILE 112 5.021 8.118 8.735 897 HD11 ILE 112 3HD1 ILE 112 3.504 11.391 8.458 898 HD12 ILE 112 1HD1 ILE 112 3.246 12.078 6.855 899 HD13 ILE 112 2HD1 ILE 112 1.968 11.141 7.630 900 HA PRO 113 HA PRO 113 4.243 4.956 10.095 901 HB2 PRO 113 1HB PRO 113 1.896 3.756 10.746 902 HB3 PRO 113 2HB PRO 113 2.350 5.361 11.332 903 HG2 PRO 113 1HG PRO 113 0.548 4.613 9.061 904 HG3 PRO 113 2HG PRO 113 0.327 5.863 10.300 905 HD2 PRO 113 1HD PRO 113 1.187 6.429 7.795 906 HD3 PRO 113 2HD PRO 113 1.707 7.357 9.216 907 H LEU 114 H LEU 114 2.282 4.050 7.339 908 HA LEU 114 HA LEU 114 2.536 1.252 7.547 909 HB2 LEU 114 1HB LEU 114 0.893 2.325 6.106 910 HB3 LEU 114 2HB LEU 114 2.185 2.984 5.104 911 HG LEU 114 HG LEU 114 2.772 0.413 4.820 912 HD11 LEU 114 1HD1 LEU 114 -0.214 0.279 5.072 913 HD12 LEU 114 2HD1 LEU 114 0.855 -0.146 6.408 914 HD13 LEU 114 3HD1 LEU 114 0.941 -1.041 4.891 915 HD21 LEU 114 3HD2 LEU 114 2.418 1.405 2.823 916 HD22 LEU 114 1HD2 LEU 114 0.980 2.261 3.379 917 HD23 LEU 114 2HD2 LEU 114 0.873 0.560 2.924 918 H ARG 115 H ARG 115 4.334 3.552 5.494 919 HA ARG 115 HA ARG 115 6.174 1.738 4.458 920 HB2 ARG 115 1HB ARG 115 5.925 3.963 3.529 921 HB3 ARG 115 2HB ARG 115 6.492 4.688 5.028 922 HG2 ARG 115 1HG ARG 115 8.689 3.653 4.685 923 HG3 ARG 115 2HG ARG 115 8.114 2.968 3.164 924 HD2 ARG 115 1HD ARG 115 7.939 5.073 2.152 925 HD3 ARG 115 2HD ARG 115 7.995 5.917 3.698 926 HE ARG 115 HE ARG 115 10.212 5.161 2.097 927 HH11 ARG 115 1HH1 ARG 115 9.177 5.487 5.405 928 HH12 ARG 115 2HH1 ARG 115 10.775 5.761 6.015 929 HH21 ARG 115 1HH2 ARG 115 12.321 5.521 2.888 930 HH22 ARG 115 2HH2 ARG 115 12.562 5.782 4.582 931 H GLN 116 H GLN 116 6.341 3.708 7.399 932 HA GLN 116 HA GLN 116 8.931 3.195 8.192 933 HB2 GLN 116 1HB GLN 116 6.402 3.819 9.626 934 HB3 GLN 116 2HB GLN 116 7.753 3.240 10.590 935 HG2 GLN 116 1HG GLN 116 7.943 5.565 8.696 936 HG3 GLN 116 2HG GLN 116 7.548 5.725 10.406 937 HE21 GLN 116 1HE2 GLN 116 9.615 7.109 9.815 938 HE22 GLN 116 2HE2 GLN 116 11.106 6.347 10.240 939 H ARG 117 H ARG 117 6.040 1.218 8.730 940 HA ARG 117 HA ARG 117 7.364 -0.770 10.270 941 HB2 ARG 117 1HB ARG 117 4.792 -0.942 8.689 942 HB3 ARG 117 2HB ARG 117 5.333 -2.112 9.885 943 HG2 ARG 117 1HG ARG 117 5.036 0.747 10.671 944 HG3 ARG 117 2HG ARG 117 3.603 -0.271 10.521 945 HD2 ARG 117 1HD ARG 117 4.763 -1.918 12.039 946 HD3 ARG 117 2HD ARG 117 5.977 -0.672 12.327 947 HE ARG 117 HE ARG 117 3.346 -0.801 13.438 948 HH11 ARG 117 1HH1 ARG 117 5.895 1.358 12.457 949 HH12 ARG 117 2HH1 ARG 117 5.413 2.626 13.535 950 HH21 ARG 117 1HH2 ARG 117 2.702 0.861 14.861 951 HH22 ARG 117 2HH2 ARG 117 3.598 2.342 14.903 952 H LEU 118 H LEU 118 6.443 -0.558 6.849 953 HA LEU 118 HA LEU 118 7.198 -3.072 5.996 954 HB2 LEU 118 1HB LEU 118 7.225 -0.392 4.658 955 HB3 LEU 118 2HB LEU 118 7.789 -1.829 3.809 956 HG LEU 118 HG LEU 118 5.046 -1.689 5.026 957 HD11 LEU 118 1HD1 LEU 118 5.347 -1.215 2.131 958 HD12 LEU 118 2HD1 LEU 118 5.789 0.123 3.191 959 HD13 LEU 118 3HD1 LEU 118 4.170 -0.570 3.275 960 HD21 LEU 118 3HD2 LEU 118 5.395 -3.186 2.581 961 HD22 LEU 118 1HD2 LEU 118 4.784 -3.715 4.148 962 HD23 LEU 118 2HD2 LEU 118 6.519 -3.724 3.830 963 H GLU 119 H GLU 119 9.220 -0.144 6.146 964 HA GLU 119 HA GLU 119 11.588 -1.276 5.209 965 HB2 GLU 119 1HB GLU 119 11.026 1.034 7.050 966 HB3 GLU 119 2HB GLU 119 12.674 0.566 6.656 967 HG2 GLU 119 1HG GLU 119 10.715 1.050 4.462 968 HG3 GLU 119 2HG GLU 119 11.469 2.415 5.284 969 H GLU 120 H GLU 120 10.209 -1.214 8.450 970 HA GLU 120 HA GLU 120 12.425 -2.166 9.871 971 HB2 GLU 120 1HB GLU 120 10.421 -1.235 10.949 972 HB3 GLU 120 2HB GLU 120 9.490 -2.633 10.429 973 HG2 GLU 120 1HG GLU 120 9.981 -3.128 12.627 974 HG3 GLU 120 2HG GLU 120 11.227 -4.005 11.741 975 H ARG 121 H ARG 121 9.707 -3.954 8.428 976 HA ARG 121 HA ARG 121 10.684 -6.517 9.139 977 HB2 ARG 121 1HB ARG 121 8.577 -5.477 7.298 978 HB3 ARG 121 2HB ARG 121 9.092 -7.149 7.119 979 HG2 ARG 121 1HG ARG 121 7.263 -7.277 8.542 980 HG3 ARG 121 2HG ARG 121 8.647 -7.350 9.635 981 HD2 ARG 121 1HD ARG 121 8.317 -4.732 9.662 982 HD3 ARG 121 2HD ARG 121 6.671 -5.167 9.204 983 HE ARG 121 HE ARG 121 7.904 -5.523 11.769 984 HH11 ARG 121 1HH1 ARG 121 5.442 -6.698 9.605 985 HH12 ARG 121 2HH1 ARG 121 4.466 -7.368 10.871 986 HH21 ARG 121 1HH2 ARG 121 6.628 -6.400 13.443 987 HH22 ARG 121 2HH2 ARG 121 5.141 -7.197 13.053 988 H GLN 122 H GLN 122 10.963 -4.544 6.217 989 HA GLN 122 HA GLN 122 11.992 -6.191 4.363 990 HB2 GLN 122 1HB GLN 122 11.767 -3.697 4.182 991 HB3 GLN 122 2HB GLN 122 13.291 -3.552 5.048 992 HG2 GLN 122 1HG GLN 122 14.479 -4.629 3.282 993 HG3 GLN 122 2HG GLN 122 12.977 -5.041 2.455 994 HE21 GLN 122 1HE2 GLN 122 15.461 -3.295 1.911 995 HE22 GLN 122 2HE2 GLN 122 14.782 -1.838 1.278 996 H ARG 123 H ARG 123 13.998 -4.660 6.884 997 HA ARG 123 HA ARG 123 15.930 -6.859 6.532 998 HB2 ARG 123 1HB ARG 123 17.707 -5.417 6.729 999 HB3 ARG 123 2HB ARG 123 16.544 -4.363 5.937 1000 HG2 ARG 123 1HG ARG 123 15.913 -3.758 8.422 1001 HG3 ARG 123 2HG ARG 123 17.559 -4.316 8.726 1002 HD2 ARG 123 1HD ARG 123 17.939 -2.093 8.315 1003 HD3 ARG 123 2HD ARG 123 18.123 -2.757 6.692 1004 HE ARG 123 HE ARG 123 15.459 -2.072 6.959 1005 HH11 ARG 123 1HH1 ARG 123 18.541 -0.455 7.051 1006 HH12 ARG 123 2HH1 ARG 123 17.916 1.049 6.462 1007 HH21 ARG 123 1HH2 ARG 123 14.624 -0.096 6.182 1008 HH22 ARG 123 2HH2 ARG 123 15.688 1.253 5.969 1009 H ARG 124 H ARG 124 17.022 -7.603 8.422 1010 HA ARG 124 HA ARG 124 15.705 -6.895 10.957 1011 HB2 ARG 124 1HB ARG 124 16.152 -9.592 9.742 1012 HB3 ARG 124 2HB ARG 124 16.182 -9.424 11.493 1013 HG2 ARG 124 1HG ARG 124 13.889 -8.294 9.963 1014 HG3 ARG 124 2HG ARG 124 13.971 -10.033 10.252 1015 HD2 ARG 124 1HD ARG 124 14.370 -8.126 12.517 1016 HD3 ARG 124 2HD ARG 124 12.740 -8.478 11.946 1017 HE ARG 124 HE ARG 124 14.385 -10.164 13.529 1018 HH11 ARG 124 1HH1 ARG 124 12.009 -10.215 10.985 1019 HH12 ARG 124 2HH1 ARG 124 11.440 -11.805 11.370 1020 HH21 ARG 124 1HH2 ARG 124 13.644 -12.258 14.047 1021 HH22 ARG 124 2HH2 ARG 124 12.369 -12.966 13.113 1022 H ARG 125 H ARG 125 16.978 -7.414 12.880 1023 HA ARG 125 HA ARG 125 19.859 -7.666 12.393 1024 HB2 ARG 125 1HB ARG 125 19.113 -5.234 12.652 1025 HB3 ARG 125 2HB ARG 125 18.758 -5.636 14.327 1026 HG2 ARG 125 1HG ARG 125 20.975 -5.899 14.878 1027 HG3 ARG 125 2HG ARG 125 21.456 -6.243 13.215 1028 HD2 ARG 125 1HD ARG 125 20.376 -3.555 13.977 1029 HD3 ARG 125 2HD ARG 125 22.071 -3.957 14.254 1030 HE ARG 125 HE ARG 125 21.675 -4.613 11.652 1031 HH11 ARG 125 1HH1 ARG 125 21.115 -1.738 13.533 1032 HH12 ARG 125 2HH1 ARG 125 21.367 -0.659 12.200 1033 HH21 ARG 125 1HH2 ARG 125 22.008 -3.204 9.889 1034 HH22 ARG 125 2HH2 ARG 125 21.874 -1.494 10.128 1035 H LYS 126 H LYS 126 21.083 -8.277 14.302 1036 HA LYS 126 HA LYS 126 21.466 -9.651 16.074 1037 HB2 LYS 126 1HB LYS 126 18.934 -8.270 16.933 1038 HB3 LYS 126 2HB LYS 126 19.719 -9.465 17.957 1039 HG2 LYS 126 1HG LYS 126 21.811 -8.064 17.776 1040 HG3 LYS 126 2HG LYS 126 20.801 -6.818 17.038 1041 HD2 LYS 126 1HD LYS 126 19.402 -6.748 19.027 1042 HD3 LYS 126 2HD LYS 126 20.353 -8.041 19.761 1043 HE2 LYS 126 1HE LYS 126 21.492 -5.381 18.921 1044 HE3 LYS 126 2HE LYS 126 20.923 -5.734 20.551 1045 HZ1 LYS 126 3HZ LYS 126 23.439 -6.167 19.607 1046 HZ2 LYS 126 1HZ LYS 126 22.746 -7.710 19.572 1047 HZ3 LYS 126 2HZ LYS 126 22.784 -6.832 21.017 1048 H GLN 127 H GLN 127 20.336 -10.887 13.852 1049 HA GLN 127 HA GLN 127 18.088 -12.401 14.101 1050 HB2 GLN 127 1HB GLN 127 19.202 -14.104 12.708 1051 HB3 GLN 127 2HB GLN 127 19.482 -12.473 12.114 1052 HG2 GLN 127 1HG GLN 127 21.704 -12.461 12.920 1053 HG3 GLN 127 2HG GLN 127 21.444 -13.929 13.859 1054 HE21 GLN 127 1HE2 GLN 127 22.153 -15.738 12.995 1055 HE22 GLN 127 2HE2 GLN 127 22.457 -16.015 11.317 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.727 2.519 20.679 2 HA2 GLY 1 1HA GLY 1 -0.793 4.227 20.143 3 HA3 GLY 1 2HA GLY 1 -1.473 4.099 21.758 4 H SER 2 H SER 2 -1.412 6.331 22.087 5 HA SER 2 HA SER 2 0.591 8.117 21.635 6 HB2 SER 2 1HB SER 2 -1.345 7.904 23.933 7 HB3 SER 2 2HB SER 2 -0.211 9.249 23.807 8 HG SER 2 HG SER 2 -2.310 9.622 22.837 9 H SER 3 H SER 3 2.556 8.594 22.438 10 HA SER 3 HA SER 3 3.640 6.777 24.469 11 HB2 SER 3 1HB SER 3 4.947 6.739 22.475 12 HB3 SER 3 2HB SER 3 4.958 8.500 22.367 13 HG SER 3 HG SER 3 6.923 7.751 23.200 14 H GLY 4 H GLY 4 3.782 10.227 23.569 15 HA2 GLY 4 1HA GLY 4 3.232 11.230 26.106 16 HA3 GLY 4 2HA GLY 4 4.978 11.064 25.996 17 H SER 5 H SER 5 2.284 12.982 25.235 18 HA SER 5 HA SER 5 4.033 14.944 23.959 19 HB2 SER 5 1HB SER 5 2.286 15.410 22.224 20 HB3 SER 5 2HB SER 5 3.050 13.830 22.054 21 HG SER 5 HG SER 5 0.443 14.472 22.624 22 H SER 6 H SER 6 3.618 16.991 24.574 23 HA SER 6 HA SER 6 1.100 17.980 25.365 24 HB2 SER 6 1HB SER 6 1.912 16.398 27.321 25 HB3 SER 6 2HB SER 6 2.892 17.799 27.753 26 HG SER 6 HG SER 6 0.329 17.390 28.258 27 H GLY 7 H GLY 7 1.169 20.105 25.035 28 HA2 GLY 7 1HA GLY 7 1.984 22.227 24.718 29 HA3 GLY 7 2HA GLY 7 3.124 21.857 26.004 30 H MET 8 H MET 8 2.672 20.714 22.654 31 HA MET 8 HA MET 8 5.379 21.646 22.036 32 HB2 MET 8 1HB MET 8 4.379 18.837 21.922 33 HB3 MET 8 2HB MET 8 5.500 19.375 20.678 34 HG2 MET 8 1HG MET 8 6.894 20.212 22.727 35 HG3 MET 8 2HG MET 8 5.935 19.018 23.598 36 HE1 MET 8 3HE MET 8 7.675 18.892 19.860 37 HE2 MET 8 1HE MET 8 8.542 19.849 21.062 38 HE3 MET 8 2HE MET 8 9.210 18.313 20.509 39 H ALA 9 H ALA 9 5.750 22.119 19.854 40 HA ALA 9 HA ALA 9 3.553 23.100 18.410 41 HB1 ALA 9 3HB ALA 9 6.295 22.458 17.332 42 HB2 ALA 9 1HB ALA 9 5.117 23.573 16.638 43 HB3 ALA 9 2HB ALA 9 5.869 23.938 18.192 44 H SER 10 H SER 10 2.554 22.395 16.511 45 HA SER 10 HA SER 10 1.877 19.717 16.344 46 HB2 SER 10 1HB SER 10 1.668 22.010 14.422 47 HB3 SER 10 2HB SER 10 1.224 20.387 13.896 48 HG SER 10 HG SER 10 -0.184 22.106 15.382 49 H SER 11 H SER 11 2.515 17.998 15.077 50 HA SER 11 HA SER 11 5.124 18.311 13.743 51 HB2 SER 11 1HB SER 11 4.929 16.846 15.866 52 HB3 SER 11 2HB SER 11 4.094 15.696 14.822 53 HG SER 11 HG SER 11 6.525 16.741 13.934 54 H VAL 12 H VAL 12 5.532 16.794 11.952 55 HA VAL 12 HA VAL 12 5.015 15.912 9.918 56 HB VAL 12 HB VAL 12 2.319 15.215 11.079 57 HG11 VAL 12 1HG1 VAL 12 2.931 13.170 9.489 58 HG12 VAL 12 2HG1 VAL 12 2.127 14.623 8.891 59 HG13 VAL 12 3HG1 VAL 12 3.866 14.425 8.677 60 HG21 VAL 12 3HG2 VAL 12 4.272 14.515 12.522 61 HG22 VAL 12 1HG2 VAL 12 3.226 13.211 11.959 62 HG23 VAL 12 2HG2 VAL 12 4.784 13.489 11.182 63 H ASP 13 H ASP 13 4.507 18.683 10.382 64 HA ASP 13 HA ASP 13 2.071 19.662 9.530 65 HB2 ASP 13 1HB ASP 13 4.799 20.783 8.855 66 HB3 ASP 13 2HB ASP 13 3.278 21.669 8.811 67 H GLU 14 H GLU 14 1.859 20.910 7.332 68 HA GLU 14 HA GLU 14 1.293 19.170 5.328 69 HB2 GLU 14 1HB GLU 14 2.182 22.045 5.149 70 HB3 GLU 14 2HB GLU 14 1.628 21.140 3.747 71 HG2 GLU 14 1HG GLU 14 -0.090 21.247 6.175 72 HG3 GLU 14 2HG GLU 14 -0.015 22.646 5.105 73 H GLU 15 H GLU 15 4.374 20.880 5.767 74 HA GLU 15 HA GLU 15 5.745 20.158 3.526 75 HB2 GLU 15 1HB GLU 15 7.802 20.242 4.877 76 HB3 GLU 15 2HB GLU 15 6.717 21.575 5.246 77 HG2 GLU 15 1HG GLU 15 5.935 20.344 7.235 78 HG3 GLU 15 2HG GLU 15 7.110 19.080 6.881 79 H ALA 16 H ALA 16 5.225 18.171 6.410 80 HA ALA 16 HA ALA 16 6.821 16.007 5.888 81 HB1 ALA 16 3HB ALA 16 4.097 15.347 6.817 82 HB2 ALA 16 1HB ALA 16 5.667 14.938 7.511 83 HB3 ALA 16 2HB ALA 16 4.982 16.544 7.763 84 H LEU 17 H LEU 17 3.511 16.526 4.685 85 HA LEU 17 HA LEU 17 3.033 14.224 3.328 86 HB2 LEU 17 1HB LEU 17 2.482 16.997 2.283 87 HB3 LEU 17 2HB LEU 17 1.679 15.517 1.764 88 HG LEU 17 HG LEU 17 1.524 16.598 4.573 89 HD11 LEU 17 1HD1 LEU 17 -0.845 17.205 3.799 90 HD12 LEU 17 2HD1 LEU 17 -0.183 17.125 2.166 91 HD13 LEU 17 3HD1 LEU 17 0.480 18.271 3.331 92 HD21 LEU 17 3HD2 LEU 17 1.045 14.107 3.847 93 HD22 LEU 17 1HD2 LEU 17 -0.488 14.801 3.322 94 HD23 LEU 17 2HD2 LEU 17 0.011 14.942 5.007 95 H HIS 18 H HIS 18 4.859 17.004 2.063 96 HA HIS 18 HA HIS 18 5.436 16.148 -0.467 97 HB2 HIS 18 1HB HIS 18 6.160 18.317 0.276 98 HB3 HIS 18 2HB HIS 18 7.227 17.605 1.483 99 HD1 HIS 18 1HD HIS 18 7.409 19.168 -1.663 100 HD2 HIS 18 2HD HIS 18 9.244 15.829 -0.005 101 HE1 HIS 18 1HE HIS 18 9.467 18.772 -3.053 102 HE2 HIS 18 2HE HIS 18 10.515 16.697 -2.084 103 H GLN 19 H GLN 19 7.375 15.430 2.437 104 HA GLN 19 HA GLN 19 9.353 13.889 1.374 105 HB2 GLN 19 1HB GLN 19 7.855 13.627 3.968 106 HB3 GLN 19 2HB GLN 19 9.182 12.545 3.568 107 HG2 GLN 19 1HG GLN 19 9.475 15.531 3.545 108 HG3 GLN 19 2HG GLN 19 9.735 14.559 4.992 109 HE21 GLN 19 1HE2 GLN 19 11.456 16.190 3.023 110 HE22 GLN 19 2HE2 GLN 19 12.807 15.152 2.733 111 H LEU 20 H LEU 20 6.059 12.853 2.146 112 HA LEU 20 HA LEU 20 6.439 10.123 1.501 113 HB2 LEU 20 1HB LEU 20 4.581 10.595 2.831 114 HB3 LEU 20 2HB LEU 20 4.040 11.896 1.773 115 HG LEU 20 HG LEU 20 3.679 9.928 0.068 116 HD11 LEU 20 1HD1 LEU 20 3.721 7.841 0.840 117 HD12 LEU 20 2HD1 LEU 20 2.826 8.277 2.295 118 HD13 LEU 20 3HD1 LEU 20 4.577 8.481 2.242 119 HD21 LEU 20 3HD2 LEU 20 2.051 11.475 1.562 120 HD22 LEU 20 1HD2 LEU 20 1.613 9.877 2.165 121 HD23 LEU 20 2HD2 LEU 20 1.479 10.237 0.444 122 H TYR 21 H TYR 21 5.693 12.954 -0.395 123 HA TYR 21 HA TYR 21 4.802 11.576 -2.721 124 HB2 TYR 21 1HB TYR 21 5.581 14.372 -2.056 125 HB3 TYR 21 2HB TYR 21 5.585 13.908 -3.754 126 HD1 TYR 21 1HD TYR 21 3.392 13.718 -0.734 127 HD2 TYR 21 2HD TYR 21 3.625 14.129 -4.962 128 HE1 TYR 21 1HE TYR 21 0.960 14.070 -0.827 129 HE2 TYR 21 2HE TYR 21 1.194 14.484 -5.067 130 HH TYR 21 HH TYR 21 -0.645 15.031 -3.777 131 H LEU 22 H LEU 22 7.891 12.239 -1.374 132 HA LEU 22 HA LEU 22 9.355 11.990 -3.843 133 HB2 LEU 22 1HB LEU 22 10.207 12.036 -0.956 134 HB3 LEU 22 2HB LEU 22 11.337 11.886 -2.300 135 HG LEU 22 HG LEU 22 9.547 14.243 -1.712 136 HD11 LEU 22 1HD1 LEU 22 11.251 15.132 -0.600 137 HD12 LEU 22 2HD1 LEU 22 12.387 14.731 -1.888 138 HD13 LEU 22 3HD1 LEU 22 12.015 13.543 -0.640 139 HD21 LEU 22 3HD2 LEU 22 11.176 15.174 -3.580 140 HD22 LEU 22 1HD2 LEU 22 9.652 14.383 -3.984 141 HD23 LEU 22 2HD2 LEU 22 11.166 13.483 -4.084 142 H TRP 23 H TRP 23 8.789 9.957 -0.988 143 HA TRP 23 HA TRP 23 10.362 7.794 -1.520 144 HB2 TRP 23 1HB TRP 23 9.173 7.640 0.471 145 HB3 TRP 23 2HB TRP 23 7.639 8.043 -0.295 146 HD1 TRP 23 HD TRP 23 10.066 5.158 -1.208 147 HE1 TRP 23 1HE TRP 23 8.753 2.949 -1.075 148 HE3 TRP 23 3HE TRP 23 5.598 6.971 0.491 149 HZ2 TRP 23 2HZ TRP 23 6.165 2.088 -0.348 150 HZ3 TRP 23 3HZ TRP 23 3.754 5.388 0.879 151 HH2 TRP 23 HH TRP 23 4.034 2.998 0.468 152 H VAL 24 H VAL 24 6.963 8.046 -2.588 153 HA VAL 24 HA VAL 24 6.797 5.818 -4.159 154 HB VAL 24 HB VAL 24 5.602 8.517 -4.804 155 HG11 VAL 24 1HG1 VAL 24 4.294 5.965 -5.566 156 HG12 VAL 24 2HG1 VAL 24 4.259 7.539 -6.362 157 HG13 VAL 24 3HG1 VAL 24 5.674 6.498 -6.525 158 HG21 VAL 24 3HG2 VAL 24 5.121 7.587 -2.520 159 HG22 VAL 24 1HG2 VAL 24 3.702 7.851 -3.534 160 HG23 VAL 24 2HG2 VAL 24 4.339 6.221 -3.317 161 H ASP 25 H ASP 25 8.130 8.968 -5.071 162 HA ASP 25 HA ASP 25 8.525 8.719 -7.746 163 HB2 ASP 25 1HB ASP 25 9.258 10.609 -6.168 164 HB3 ASP 25 2HB ASP 25 10.750 9.696 -5.966 165 H ASN 26 H ASN 26 10.596 7.338 -5.214 166 HA ASN 26 HA ASN 26 12.587 6.250 -6.796 167 HB2 ASN 26 1HB ASN 26 12.797 6.239 -4.398 168 HB3 ASN 26 2HB ASN 26 11.380 5.207 -4.229 169 HD21 ASN 26 1HD2 ASN 26 12.150 3.393 -3.384 170 HD22 ASN 26 2HD2 ASN 26 13.437 2.449 -4.045 171 H ILE 27 H ILE 27 9.587 4.662 -5.711 172 HA ILE 27 HA ILE 27 10.035 2.342 -7.324 173 HB ILE 27 HB ILE 27 7.442 3.233 -6.062 174 HG12 ILE 27 1HG1 ILE 27 9.422 1.306 -4.862 175 HG13 ILE 27 2HG1 ILE 27 9.489 3.032 -4.521 176 HG21 ILE 27 1HG2 ILE 27 6.564 1.284 -6.707 177 HG22 ILE 27 2HG2 ILE 27 7.927 1.178 -7.821 178 HG23 ILE 27 3HG2 ILE 27 8.010 0.384 -6.249 179 HD11 ILE 27 3HD1 ILE 27 7.989 1.103 -3.197 180 HD12 ILE 27 1HD1 ILE 27 7.886 2.853 -3.009 181 HD13 ILE 27 2HD1 ILE 27 6.823 2.024 -4.147 182 HA PRO 28 HA PRO 28 8.546 4.116 -11.119 183 HB2 PRO 28 1HB PRO 28 8.632 1.822 -12.567 184 HB3 PRO 28 2HB PRO 28 10.076 2.758 -12.166 185 HG2 PRO 28 1HG PRO 28 8.988 0.298 -10.852 186 HG3 PRO 28 2HG PRO 28 10.665 0.697 -11.264 187 HD2 PRO 28 1HD PRO 28 9.678 0.963 -8.757 188 HD3 PRO 28 2HD PRO 28 10.936 2.035 -9.407 189 H LEU 29 H LEU 29 6.409 4.578 -10.452 190 HA LEU 29 HA LEU 29 4.461 2.400 -10.752 191 HB2 LEU 29 1HB LEU 29 4.518 4.939 -9.217 192 HB3 LEU 29 2HB LEU 29 2.956 4.375 -9.805 193 HG LEU 29 HG LEU 29 4.805 2.773 -8.039 194 HD11 LEU 29 1HD1 LEU 29 3.798 3.596 -6.205 195 HD12 LEU 29 2HD1 LEU 29 2.232 3.749 -7.002 196 HD13 LEU 29 3HD1 LEU 29 3.470 4.982 -7.246 197 HD21 LEU 29 3HD2 LEU 29 2.355 2.177 -9.505 198 HD22 LEU 29 1HD2 LEU 29 2.254 1.797 -7.786 199 HD23 LEU 29 2HD2 LEU 29 3.533 1.088 -8.772 200 H SER 30 H SER 30 4.709 2.522 -13.093 201 HA SER 30 HA SER 30 3.816 4.909 -14.446 202 HB2 SER 30 1HB SER 30 5.552 3.429 -15.424 203 HB3 SER 30 2HB SER 30 4.349 2.148 -15.570 204 HG SER 30 HG SER 30 3.161 3.978 -16.771 205 H ARG 31 H ARG 31 2.502 1.761 -13.600 206 HA ARG 31 HA ARG 31 0.307 1.422 -15.087 207 HB2 ARG 31 1HB ARG 31 0.349 -0.139 -13.429 208 HB3 ARG 31 2HB ARG 31 0.841 1.022 -12.203 209 HG2 ARG 31 1HG ARG 31 -1.435 1.866 -12.062 210 HG3 ARG 31 2HG ARG 31 -1.939 0.741 -13.325 211 HD2 ARG 31 1HD ARG 31 -0.666 -0.174 -10.760 212 HD3 ARG 31 2HD ARG 31 -2.406 0.062 -10.918 213 HE ARG 31 HE ARG 31 -0.865 -2.117 -11.944 214 HH11 ARG 31 1HH1 ARG 31 -3.717 -0.188 -12.456 215 HH12 ARG 31 2HH1 ARG 31 -4.556 -1.426 -13.331 216 HH21 ARG 31 1HH2 ARG 31 -1.959 -3.755 -13.094 217 HH22 ARG 31 2HH2 ARG 31 -3.556 -3.455 -13.692 218 HA PRO 32 HA PRO 32 -2.324 4.679 -12.680 219 HB2 PRO 32 1HB PRO 32 -1.017 6.304 -10.941 220 HB3 PRO 32 2HB PRO 32 -1.707 4.747 -10.467 221 HG2 PRO 32 1HG PRO 32 1.126 5.437 -11.143 222 HG3 PRO 32 2HG PRO 32 0.505 4.422 -9.828 223 HD2 PRO 32 1HD PRO 32 1.523 3.384 -12.112 224 HD3 PRO 32 2HD PRO 32 0.217 2.596 -11.204 225 H LYS 33 H LYS 33 0.975 5.543 -13.543 226 HA LYS 33 HA LYS 33 1.818 7.522 -14.431 227 HB2 LYS 33 1HB LYS 33 0.632 7.824 -16.750 228 HB3 LYS 33 2HB LYS 33 1.592 6.387 -16.426 229 HG2 LYS 33 1HG LYS 33 -0.289 5.475 -17.365 230 HG3 LYS 33 2HG LYS 33 -0.685 5.384 -15.647 231 HD2 LYS 33 1HD LYS 33 -1.914 7.530 -15.873 232 HD3 LYS 33 2HD LYS 33 -1.605 7.483 -17.610 233 HE2 LYS 33 1HE LYS 33 -2.767 5.279 -17.684 234 HE3 LYS 33 2HE LYS 33 -3.189 5.497 -15.986 235 HZ1 LYS 33 3HZ LYS 33 -4.127 7.030 -18.327 236 HZ2 LYS 33 1HZ LYS 33 -4.208 7.688 -16.771 237 HZ3 LYS 33 2HZ LYS 33 -5.040 6.260 -17.130 238 H ARG 34 H ARG 34 -0.074 8.198 -12.463 239 HA ARG 34 HA ARG 34 -0.875 10.801 -13.447 240 HB2 ARG 34 1HB ARG 34 -2.772 8.930 -13.688 241 HB3 ARG 34 2HB ARG 34 -3.033 9.355 -12.002 242 HG2 ARG 34 1HG ARG 34 -4.449 10.837 -12.962 243 HG3 ARG 34 2HG ARG 34 -2.976 11.809 -13.003 244 HD2 ARG 34 1HD ARG 34 -2.618 11.363 -15.282 245 HD3 ARG 34 2HD ARG 34 -3.762 10.021 -15.284 246 HE ARG 34 HE ARG 34 -5.021 12.494 -14.631 247 HH11 ARG 34 1HH1 ARG 34 -3.821 10.574 -17.276 248 HH12 ARG 34 2HH1 ARG 34 -4.893 11.276 -18.442 249 HH21 ARG 34 1HH2 ARG 34 -6.437 13.426 -16.158 250 HH22 ARG 34 2HH2 ARG 34 -6.379 12.898 -17.806 251 H ASN 35 H ASN 35 -1.727 12.182 -11.650 252 HA ASN 35 HA ASN 35 -0.058 12.592 -9.626 253 HB2 ASN 35 1HB ASN 35 -3.069 12.812 -9.517 254 HB3 ASN 35 2HB ASN 35 -2.014 13.450 -8.260 255 HD21 ASN 35 1HD2 ASN 35 -0.460 15.076 -8.876 256 HD22 ASN 35 2HD2 ASN 35 -0.825 16.149 -10.180 257 H LEU 36 H LEU 36 0.422 11.846 -7.600 258 HA LEU 36 HA LEU 36 -0.100 9.115 -7.049 259 HB2 LEU 36 1HB LEU 36 0.965 11.169 -5.124 260 HB3 LEU 36 2HB LEU 36 1.201 9.423 -5.070 261 HG LEU 36 HG LEU 36 2.386 9.831 -7.380 262 HD11 LEU 36 1HD1 LEU 36 3.649 12.173 -6.718 263 HD12 LEU 36 2HD1 LEU 36 1.962 12.520 -6.343 264 HD13 LEU 36 3HD1 LEU 36 2.412 11.984 -7.961 265 HD21 LEU 36 3HD2 LEU 36 4.405 9.657 -6.283 266 HD22 LEU 36 1HD2 LEU 36 3.279 9.115 -5.037 267 HD23 LEU 36 2HD2 LEU 36 3.921 10.758 -4.991 268 H SER 37 H SER 37 -1.186 12.120 -5.486 269 HA SER 37 HA SER 37 -2.685 11.093 -3.428 270 HB2 SER 37 1HB SER 37 -2.276 13.522 -3.877 271 HB3 SER 37 2HB SER 37 -3.508 13.452 -5.137 272 HG SER 37 HG SER 37 -4.973 13.591 -3.647 273 H ARG 38 H ARG 38 -4.058 12.048 -6.582 274 HA ARG 38 HA ARG 38 -6.580 10.996 -6.258 275 HB2 ARG 38 1HB ARG 38 -4.861 11.401 -8.686 276 HB3 ARG 38 2HB ARG 38 -6.454 10.670 -8.835 277 HG2 ARG 38 1HG ARG 38 -7.357 12.704 -7.639 278 HG3 ARG 38 2HG ARG 38 -5.764 13.428 -7.869 279 HD2 ARG 38 1HD ARG 38 -5.983 13.462 -10.191 280 HD3 ARG 38 2HD ARG 38 -7.280 12.267 -10.178 281 HE ARG 38 HE ARG 38 -8.315 14.393 -8.826 282 HH11 ARG 38 1HH1 ARG 38 -6.868 13.955 -11.962 283 HH12 ARG 38 2HH1 ARG 38 -7.786 15.221 -12.707 284 HH21 ARG 38 1HH2 ARG 38 -9.530 16.063 -9.796 285 HH22 ARG 38 2HH2 ARG 38 -9.299 16.420 -11.474 286 H ASP 39 H ASP 39 -4.069 9.372 -8.202 287 HA ASP 39 HA ASP 39 -5.213 6.935 -8.528 288 HB2 ASP 39 1HB ASP 39 -2.319 7.620 -8.024 289 HB3 ASP 39 2HB ASP 39 -2.844 5.994 -8.453 290 H PHE 40 H PHE 40 -2.968 7.646 -5.845 291 HA PHE 40 HA PHE 40 -3.029 5.418 -4.378 292 HB2 PHE 40 1HB PHE 40 -3.062 8.288 -3.602 293 HB3 PHE 40 2HB PHE 40 -3.330 7.108 -2.324 294 HD1 PHE 40 1HD PHE 40 -1.585 4.921 -3.000 295 HD2 PHE 40 2HD PHE 40 -0.927 9.109 -3.379 296 HE1 PHE 40 1HE PHE 40 0.841 4.552 -2.833 297 HE2 PHE 40 2HE PHE 40 1.501 8.746 -3.214 298 HZ PHE 40 HZ PHE 40 2.388 6.465 -2.941 299 H SER 41 H SER 41 -5.735 7.582 -4.818 300 HA SER 41 HA SER 41 -7.465 6.964 -2.825 301 HB2 SER 41 1HB SER 41 -7.979 8.488 -4.715 302 HB3 SER 41 2HB SER 41 -8.220 7.086 -5.756 303 HG SER 41 HG SER 41 -9.673 7.541 -3.365 304 H ASP 42 H ASP 42 -6.930 5.010 -5.745 305 HA ASP 42 HA ASP 42 -8.701 2.926 -4.865 306 HB2 ASP 42 1HB ASP 42 -7.453 1.702 -6.835 307 HB3 ASP 42 2HB ASP 42 -8.616 2.982 -7.171 308 H GLY 43 H GLY 43 -8.235 1.122 -3.748 309 HA2 GLY 43 1HA GLY 43 -5.719 0.929 -2.406 310 HA3 GLY 43 2HA GLY 43 -7.047 -0.217 -2.296 311 H VAL 44 H VAL 44 -7.202 -0.773 -5.110 312 HA VAL 44 HA VAL 44 -5.623 -2.988 -5.363 313 HB VAL 44 HB VAL 44 -6.463 -1.215 -7.661 314 HG11 VAL 44 1HG1 VAL 44 -5.817 -2.829 -9.072 315 HG12 VAL 44 2HG1 VAL 44 -4.834 -3.413 -7.728 316 HG13 VAL 44 3HG1 VAL 44 -6.425 -4.114 -8.029 317 HG21 VAL 44 3HG2 VAL 44 -8.429 -2.787 -7.750 318 HG22 VAL 44 1HG2 VAL 44 -7.941 -3.364 -6.157 319 HG23 VAL 44 2HG2 VAL 44 -8.409 -1.678 -6.379 320 H LEU 45 H LEU 45 -4.836 0.311 -6.379 321 HA LEU 45 HA LEU 45 -2.380 -0.297 -7.621 322 HB2 LEU 45 1HB LEU 45 -3.448 1.789 -8.069 323 HB3 LEU 45 2HB LEU 45 -3.426 2.229 -6.363 324 HG LEU 45 HG LEU 45 -1.019 2.504 -6.432 325 HD11 LEU 45 1HD1 LEU 45 -0.666 0.717 -8.168 326 HD12 LEU 45 2HD1 LEU 45 0.292 2.182 -8.378 327 HD13 LEU 45 3HD1 LEU 45 -1.134 1.911 -9.379 328 HD21 LEU 45 3HD2 LEU 45 -0.937 4.345 -8.206 329 HD22 LEU 45 1HD2 LEU 45 -2.144 4.495 -6.929 330 HD23 LEU 45 2HD2 LEU 45 -2.621 3.933 -8.531 331 H VAL 46 H VAL 46 -3.025 1.082 -4.395 332 HA VAL 46 HA VAL 46 -0.561 1.303 -3.335 333 HB VAL 46 HB VAL 46 -2.889 0.019 -1.899 334 HG11 VAL 46 1HG1 VAL 46 -0.925 1.710 -0.477 335 HG12 VAL 46 2HG1 VAL 46 -1.788 0.269 0.065 336 HG13 VAL 46 3HG1 VAL 46 -0.374 0.112 -0.978 337 HG21 VAL 46 3HG2 VAL 46 -2.843 2.489 -3.074 338 HG22 VAL 46 1HG2 VAL 46 -3.860 2.029 -1.708 339 HG23 VAL 46 2HG2 VAL 46 -2.324 2.850 -1.428 340 H ALA 47 H ALA 47 -2.327 -1.732 -3.750 341 HA ALA 47 HA ALA 47 -0.720 -3.492 -2.386 342 HB1 ALA 47 3HB ALA 47 -2.128 -3.902 -5.019 343 HB2 ALA 47 1HB ALA 47 -1.439 -5.199 -4.043 344 HB3 ALA 47 2HB ALA 47 -2.765 -4.225 -3.406 345 H GLU 48 H GLU 48 -0.260 -2.265 -5.685 346 HA GLU 48 HA GLU 48 1.976 -3.787 -6.369 347 HB2 GLU 48 1HB GLU 48 1.257 -0.978 -7.223 348 HB3 GLU 48 2HB GLU 48 2.468 -1.985 -8.002 349 HG2 GLU 48 1HG GLU 48 -0.314 -3.008 -7.718 350 HG3 GLU 48 2HG GLU 48 0.052 -1.819 -8.966 351 H VAL 49 H VAL 49 1.716 -0.761 -4.583 352 HA VAL 49 HA VAL 49 4.393 -0.014 -4.509 353 HB VAL 49 HB VAL 49 2.295 0.327 -2.361 354 HG11 VAL 49 1HG1 VAL 49 4.694 0.569 -1.612 355 HG12 VAL 49 2HG1 VAL 49 4.809 1.944 -2.713 356 HG13 VAL 49 3HG1 VAL 49 3.667 1.981 -1.368 357 HG21 VAL 49 3HG2 VAL 49 1.681 1.315 -4.513 358 HG22 VAL 49 1HG2 VAL 49 2.013 2.560 -3.310 359 HG23 VAL 49 2HG2 VAL 49 3.211 2.192 -4.551 360 H ILE 50 H ILE 50 2.675 -2.452 -2.674 361 HA ILE 50 HA ILE 50 4.771 -2.886 -0.771 362 HB ILE 50 HB ILE 50 2.540 -4.787 -1.485 363 HG12 ILE 50 1HG1 ILE 50 2.508 -2.679 0.679 364 HG13 ILE 50 2HG1 ILE 50 1.773 -2.447 -0.903 365 HG21 ILE 50 1HG2 ILE 50 4.644 -4.723 0.542 366 HG22 ILE 50 2HG2 ILE 50 3.031 -5.011 1.193 367 HG23 ILE 50 3HG2 ILE 50 3.681 -6.075 -0.053 368 HD11 ILE 50 3HD1 ILE 50 0.506 -4.641 -0.337 369 HD12 ILE 50 1HD1 ILE 50 0.945 -4.244 1.324 370 HD13 ILE 50 2HD1 ILE 50 -0.016 -3.112 0.371 371 H LYS 51 H LYS 51 3.847 -4.279 -3.857 372 HA LYS 51 HA LYS 51 5.199 -6.633 -3.960 373 HB2 LYS 51 1HB LYS 51 3.891 -5.702 -5.830 374 HB3 LYS 51 2HB LYS 51 5.170 -4.535 -6.138 375 HG2 LYS 51 1HG LYS 51 5.693 -6.109 -7.694 376 HG3 LYS 51 2HG LYS 51 6.644 -6.710 -6.333 377 HD2 LYS 51 1HD LYS 51 5.228 -8.479 -5.950 378 HD3 LYS 51 2HD LYS 51 3.832 -7.650 -6.644 379 HE2 LYS 51 1HE LYS 51 4.639 -9.527 -8.037 380 HE3 LYS 51 2HE LYS 51 4.689 -7.975 -8.872 381 HZ1 LYS 51 3HZ LYS 51 7.092 -7.874 -8.182 382 HZ2 LYS 51 1HZ LYS 51 6.711 -9.043 -9.344 383 HZ3 LYS 51 2HZ LYS 51 6.957 -9.500 -7.735 384 H PHE 52 H PHE 52 6.606 -3.409 -4.423 385 HA PHE 52 HA PHE 52 9.196 -4.129 -5.078 386 HB2 PHE 52 1HB PHE 52 8.293 -1.805 -5.085 387 HB3 PHE 52 2HB PHE 52 8.398 -1.796 -3.328 388 HD1 PHE 52 2HD PHE 52 10.807 -2.517 -2.420 389 HD2 PHE 52 1HD PHE 52 10.006 -0.829 -6.244 390 HE1 PHE 52 2HE PHE 52 13.138 -1.743 -2.563 391 HE2 PHE 52 1HE PHE 52 12.336 -0.052 -6.393 392 HZ PHE 52 HZ PHE 52 13.905 -0.508 -4.550 393 H TYR 53 H TYR 53 7.693 -3.866 -1.894 394 HA TYR 53 HA TYR 53 10.142 -4.506 -0.511 395 HB2 TYR 53 1HB TYR 53 7.289 -4.150 0.407 396 HB3 TYR 53 2HB TYR 53 8.591 -4.609 1.499 397 HD1 TYR 53 2HD TYR 53 7.247 -1.916 -0.612 398 HD2 TYR 53 1HD TYR 53 10.245 -3.009 2.202 399 HE1 TYR 53 2HE TYR 53 7.820 0.457 -0.309 400 HE2 TYR 53 1HE TYR 53 10.825 -0.639 2.514 401 HH TYR 53 HH TYR 53 9.204 1.909 0.649 402 H PHE 54 H PHE 54 6.949 -6.098 -0.633 403 HA PHE 54 HA PHE 54 8.331 -8.691 -0.635 404 HB2 PHE 54 1HB PHE 54 5.842 -8.150 0.986 405 HB3 PHE 54 2HB PHE 54 6.844 -9.598 1.007 406 HD1 PHE 54 1HD PHE 54 9.431 -9.018 1.542 407 HD2 PHE 54 2HD PHE 54 6.045 -6.760 2.787 408 HE1 PHE 54 1HE PHE 54 10.742 -8.085 3.403 409 HE2 PHE 54 2HE PHE 54 7.350 -5.823 4.650 410 HZ PHE 54 HZ PHE 54 9.702 -6.484 4.959 411 HA PRO 55 HA PRO 55 5.624 -9.220 -4.126 412 HB2 PRO 55 1HB PRO 55 6.399 -11.757 -4.705 413 HB3 PRO 55 2HB PRO 55 7.372 -10.338 -5.111 414 HG2 PRO 55 1HG PRO 55 7.642 -12.222 -2.800 415 HG3 PRO 55 2HG PRO 55 8.906 -11.530 -3.833 416 HD2 PRO 55 1HD PRO 55 8.345 -10.558 -1.369 417 HD3 PRO 55 2HD PRO 55 8.915 -9.525 -2.696 418 H LYS 56 H LYS 56 6.011 -11.959 -1.867 419 HA LYS 56 HA LYS 56 3.611 -13.241 -2.382 420 HB2 LYS 56 1HB LYS 56 5.107 -13.043 0.238 421 HB3 LYS 56 2HB LYS 56 3.834 -14.207 -0.106 422 HG2 LYS 56 1HG LYS 56 5.162 -15.472 -1.455 423 HG3 LYS 56 2HG LYS 56 6.154 -14.100 -1.954 424 HD2 LYS 56 1HD LYS 56 7.322 -14.098 0.132 425 HD3 LYS 56 2HD LYS 56 6.210 -15.286 0.817 426 HE2 LYS 56 1HE LYS 56 8.052 -15.779 -1.520 427 HE3 LYS 56 2HE LYS 56 8.379 -16.262 0.143 428 HZ1 LYS 56 3HZ LYS 56 6.884 -17.621 -1.805 429 HZ2 LYS 56 1HZ LYS 56 5.847 -17.212 -0.533 430 HZ3 LYS 56 2HZ LYS 56 7.247 -18.110 -0.227 431 H MET 57 H MET 57 4.267 -10.934 0.262 432 HA MET 57 HA MET 57 1.900 -10.706 1.490 433 HB2 MET 57 1HB MET 57 3.766 -8.513 0.611 434 HB3 MET 57 2HB MET 57 2.347 -8.178 1.595 435 HG2 MET 57 1HG MET 57 4.312 -10.253 2.456 436 HG3 MET 57 2HG MET 57 4.645 -8.544 2.726 437 HE1 MET 57 3HE MET 57 3.836 -7.635 5.427 438 HE2 MET 57 1HE MET 57 3.345 -6.998 3.858 439 HE3 MET 57 2HE MET 57 2.136 -7.290 5.108 440 H VAL 58 H VAL 58 2.615 -9.482 -1.731 441 HA VAL 58 HA VAL 58 0.037 -8.219 -2.023 442 HB VAL 58 HB VAL 58 2.102 -8.807 -4.148 443 HG11 VAL 58 1HG1 VAL 58 0.131 -6.575 -4.277 444 HG12 VAL 58 2HG1 VAL 58 0.920 -7.461 -5.584 445 HG13 VAL 58 3HG1 VAL 58 -0.398 -8.208 -4.679 446 HG21 VAL 58 3HG2 VAL 58 1.912 -6.052 -3.300 447 HG22 VAL 58 1HG2 VAL 58 2.344 -7.109 -1.956 448 HG23 VAL 58 2HG2 VAL 58 3.328 -7.096 -3.419 449 H GLU 59 H GLU 59 -1.762 -9.064 -2.887 450 HA GLU 59 HA GLU 59 -1.575 -11.635 -4.298 451 HB2 GLU 59 1HB GLU 59 -2.352 -11.690 -1.788 452 HB3 GLU 59 2HB GLU 59 -3.874 -11.118 -2.454 453 HG2 GLU 59 1HG GLU 59 -4.050 -13.459 -2.306 454 HG3 GLU 59 2HG GLU 59 -3.809 -13.089 -4.012 455 H MET 60 H MET 60 -2.034 -10.892 -6.308 456 HA MET 60 HA MET 60 -4.331 -9.129 -6.691 457 HB2 MET 60 1HB MET 60 -2.033 -9.979 -8.420 458 HB3 MET 60 2HB MET 60 -3.478 -9.291 -9.148 459 HG2 MET 60 1HG MET 60 -2.206 -7.833 -6.897 460 HG3 MET 60 2HG MET 60 -1.418 -7.801 -8.473 461 HE1 MET 60 3HE MET 60 -3.500 -5.100 -6.690 462 HE2 MET 60 1HE MET 60 -5.107 -5.768 -6.982 463 HE3 MET 60 2HE MET 60 -3.887 -6.737 -6.156 464 H HIS 61 H HIS 61 -5.355 -11.369 -5.831 465 HA HIS 61 HA HIS 61 -6.383 -12.698 -8.248 466 HB2 HIS 61 1HB HIS 61 -5.282 -13.898 -5.757 467 HB3 HIS 61 2HB HIS 61 -6.683 -14.682 -6.481 468 HD1 HIS 61 1HD HIS 61 -3.355 -13.357 -7.794 469 HD2 HIS 61 2HD HIS 61 -5.901 -16.616 -8.182 470 HE1 HIS 61 1HE HIS 61 -2.223 -14.904 -9.422 471 HE2 HIS 61 2HE HIS 61 -3.823 -16.829 -9.706 472 H ASN 62 H ASN 62 -6.968 -11.472 -5.034 473 HA ASN 62 HA ASN 62 -9.804 -12.151 -5.187 474 HB2 ASN 62 1HB ASN 62 -9.889 -11.226 -2.870 475 HB3 ASN 62 2HB ASN 62 -8.756 -12.563 -3.049 476 HD21 ASN 62 1HD2 ASN 62 -6.514 -12.102 -3.117 477 HD22 ASN 62 2HD2 ASN 62 -5.889 -10.654 -2.412 478 H TYR 63 H TYR 63 -7.856 -9.240 -4.504 479 HA TYR 63 HA TYR 63 -9.915 -7.382 -4.700 480 HB2 TYR 63 1HB TYR 63 -7.077 -6.840 -5.568 481 HB3 TYR 63 2HB TYR 63 -8.230 -5.708 -4.870 482 HD1 TYR 63 2HD TYR 63 -9.107 -6.430 -2.455 483 HD2 TYR 63 1HD TYR 63 -5.428 -7.677 -4.191 484 HE1 TYR 63 2HE TYR 63 -8.213 -6.896 -0.212 485 HE2 TYR 63 1HE TYR 63 -4.524 -8.148 -1.953 486 HH TYR 63 HH TYR 63 -5.004 -8.327 0.227 487 H VAL 64 H VAL 64 -10.446 -5.874 -6.381 488 HA VAL 64 HA VAL 64 -9.664 -6.560 -9.100 489 HB VAL 64 HB VAL 64 -12.552 -6.610 -8.213 490 HG11 VAL 64 1HG1 VAL 64 -11.930 -5.554 -10.492 491 HG12 VAL 64 2HG1 VAL 64 -11.598 -7.216 -10.984 492 HG13 VAL 64 3HG1 VAL 64 -13.211 -6.764 -10.431 493 HG21 VAL 64 3HG2 VAL 64 -11.513 -8.678 -7.651 494 HG22 VAL 64 1HG2 VAL 64 -12.441 -8.947 -9.126 495 HG23 VAL 64 2HG2 VAL 64 -10.690 -8.759 -9.209 496 HA PRO 65 HA PRO 65 -9.863 -2.168 -9.465 497 HB2 PRO 65 1HB PRO 65 -9.776 -1.999 -12.173 498 HB3 PRO 65 2HB PRO 65 -8.364 -2.403 -11.190 499 HG2 PRO 65 1HG PRO 65 -10.197 -4.218 -12.709 500 HG3 PRO 65 2HG PRO 65 -8.428 -4.259 -12.590 501 HD2 PRO 65 1HD PRO 65 -10.023 -5.902 -11.146 502 HD3 PRO 65 2HD PRO 65 -8.464 -5.308 -10.538 503 H ALA 66 H ALA 66 -11.802 -1.336 -8.891 504 HA ALA 66 HA ALA 66 -13.967 -1.468 -10.886 505 HB1 ALA 66 3HB ALA 66 -14.792 -1.054 -8.098 506 HB2 ALA 66 1HB ALA 66 -15.505 -2.060 -9.359 507 HB3 ALA 66 2HB ALA 66 -14.112 -2.644 -8.448 508 H ASN 67 H ASN 67 -15.494 0.360 -10.770 509 HA ASN 67 HA ASN 67 -14.141 2.828 -9.896 510 HB2 ASN 67 1HB ASN 67 -15.576 2.141 -12.416 511 HB3 ASN 67 2HB ASN 67 -15.737 3.785 -11.806 512 HD21 ASN 67 1HD2 ASN 67 -13.494 4.652 -11.011 513 HD22 ASN 67 2HD2 ASN 67 -12.217 4.471 -12.161 514 H SER 68 H SER 68 -16.114 1.080 -8.496 515 HA SER 68 HA SER 68 -18.248 3.079 -8.124 516 HB2 SER 68 1HB SER 68 -18.806 0.684 -9.023 517 HB3 SER 68 2HB SER 68 -18.593 0.203 -7.339 518 HG SER 68 HG SER 68 -20.219 2.408 -7.924 519 H LEU 69 H LEU 69 -18.467 3.951 -6.161 520 HA LEU 69 HA LEU 69 -16.619 3.945 -4.199 521 HB2 LEU 69 1HB LEU 69 -18.909 5.204 -4.456 522 HB3 LEU 69 2HB LEU 69 -19.475 3.962 -3.341 523 HG LEU 69 HG LEU 69 -18.940 5.575 -1.837 524 HD11 LEU 69 1HD1 LEU 69 -16.870 5.093 -0.770 525 HD12 LEU 69 2HD1 LEU 69 -16.166 4.488 -2.270 526 HD13 LEU 69 3HD1 LEU 69 -17.458 3.588 -1.477 527 HD21 LEU 69 3HD2 LEU 69 -16.930 7.113 -2.195 528 HD22 LEU 69 1HD2 LEU 69 -18.330 7.344 -3.242 529 HD23 LEU 69 2HD2 LEU 69 -16.908 6.494 -3.847 530 H GLN 70 H GLN 70 -19.506 1.850 -4.153 531 HA GLN 70 HA GLN 70 -19.104 0.448 -1.859 532 HB2 GLN 70 1HB GLN 70 -20.039 -0.627 -4.524 533 HB3 GLN 70 2HB GLN 70 -20.196 -1.492 -3.000 534 HG2 GLN 70 1HG GLN 70 -21.692 0.139 -2.135 535 HG3 GLN 70 2HG GLN 70 -21.384 1.225 -3.489 536 HE21 GLN 70 1HE2 GLN 70 -23.456 -1.040 -2.249 537 HE22 GLN 70 2HE2 GLN 70 -24.322 -1.443 -3.688 538 H GLN 71 H GLN 71 -17.860 -0.608 -5.035 539 HA GLN 71 HA GLN 71 -16.304 -2.718 -4.087 540 HB2 GLN 71 1HB GLN 71 -16.338 -1.074 -6.567 541 HB3 GLN 71 2HB GLN 71 -14.916 -2.064 -6.268 542 HG2 GLN 71 1HG GLN 71 -17.612 -3.304 -6.044 543 HG3 GLN 71 2HG GLN 71 -16.936 -2.989 -7.642 544 HE21 GLN 71 1HE2 GLN 71 -16.668 -4.839 -4.725 545 HE22 GLN 71 2HE2 GLN 71 -15.516 -5.985 -5.311 546 H LYS 72 H LYS 72 -15.383 0.651 -4.746 547 HA LYS 72 HA LYS 72 -12.710 0.633 -4.295 548 HB2 LYS 72 1HB LYS 72 -14.667 2.669 -3.215 549 HB3 LYS 72 2HB LYS 72 -12.936 2.923 -3.394 550 HG2 LYS 72 1HG LYS 72 -14.566 2.140 -5.767 551 HG3 LYS 72 2HG LYS 72 -14.583 3.811 -5.197 552 HD2 LYS 72 1HD LYS 72 -12.851 3.877 -6.712 553 HD3 LYS 72 2HD LYS 72 -11.979 3.526 -5.218 554 HE2 LYS 72 1HE LYS 72 -11.580 1.337 -5.809 555 HE3 LYS 72 2HE LYS 72 -12.972 1.263 -6.889 556 HZ1 LYS 72 3HZ LYS 72 -10.841 1.281 -8.078 557 HZ2 LYS 72 1HZ LYS 72 -10.492 2.804 -7.430 558 HZ3 LYS 72 2HZ LYS 72 -11.804 2.613 -8.479 559 H LEU 73 H LEU 73 -15.009 1.335 -1.657 560 HA LEU 73 HA LEU 73 -13.145 1.023 0.410 561 HB2 LEU 73 1HB LEU 73 -16.115 1.051 0.236 562 HB3 LEU 73 2HB LEU 73 -15.368 0.508 1.736 563 HG LEU 73 HG LEU 73 -14.791 3.183 0.476 564 HD11 LEU 73 1HD1 LEU 73 -16.857 3.774 1.067 565 HD12 LEU 73 2HD1 LEU 73 -16.299 3.638 2.734 566 HD13 LEU 73 3HD1 LEU 73 -17.118 2.279 1.966 567 HD21 LEU 73 3HD2 LEU 73 -13.218 2.044 2.175 568 HD22 LEU 73 1HD2 LEU 73 -14.477 2.414 3.354 569 HD23 LEU 73 2HD2 LEU 73 -13.699 3.718 2.456 570 H SER 74 H SER 74 -15.474 -1.269 -0.970 571 HA SER 74 HA SER 74 -15.326 -3.403 0.673 572 HB2 SER 74 1HB SER 74 -16.482 -3.198 -1.619 573 HB3 SER 74 2HB SER 74 -14.969 -3.802 -2.293 574 HG SER 74 HG SER 74 -15.214 -5.666 -1.033 575 H ASN 75 H ASN 75 -12.907 -2.605 -1.806 576 HA ASN 75 HA ASN 75 -11.194 -4.778 -1.280 577 HB2 ASN 75 1HB ASN 75 -10.901 -2.142 -2.663 578 HB3 ASN 75 2HB ASN 75 -9.452 -3.076 -2.304 579 HD21 ASN 75 1HD2 ASN 75 -10.933 -2.359 -4.828 580 HD22 ASN 75 2HD2 ASN 75 -11.123 -3.867 -5.651 581 H TRP 76 H TRP 76 -10.978 -1.376 -0.238 582 HA TRP 76 HA TRP 76 -8.710 -1.455 1.280 583 HB2 TRP 76 1HB TRP 76 -11.266 0.077 1.543 584 HB3 TRP 76 2HB TRP 76 -10.058 0.209 2.817 585 HD1 TRP 76 HD TRP 76 -10.866 1.437 -0.639 586 HE1 TRP 76 1HE TRP 76 -9.026 3.050 -1.437 587 HE3 TRP 76 3HE TRP 76 -7.402 0.592 3.025 588 HZ2 TRP 76 2HZ TRP 76 -6.447 3.857 -0.621 589 HZ3 TRP 76 3HZ TRP 76 -5.274 1.824 2.943 590 HH2 TRP 76 HH TRP 76 -4.808 3.422 1.157 591 H GLY 77 H GLY 77 -11.998 -2.218 2.435 592 HA2 GLY 77 1HA GLY 77 -11.405 -2.855 5.058 593 HA3 GLY 77 2HA GLY 77 -12.706 -3.592 4.135 594 H HIS 78 H HIS 78 -11.123 -4.910 2.194 595 HA HIS 78 HA HIS 78 -10.467 -7.272 3.641 596 HB2 HIS 78 1HB HIS 78 -10.374 -6.437 0.772 597 HB3 HIS 78 2HB HIS 78 -9.502 -7.887 1.260 598 HD1 HIS 78 1HD HIS 78 -10.850 -9.904 0.850 599 HD2 HIS 78 2HD HIS 78 -13.222 -6.675 1.948 600 HE1 HIS 78 1HE HIS 78 -13.209 -10.775 0.858 601 HE2 HIS 78 2HE HIS 78 -14.634 -8.782 1.442 602 H LEU 79 H LEU 79 -8.558 -4.772 2.021 603 HA LEU 79 HA LEU 79 -6.039 -5.984 2.358 604 HB2 LEU 79 1HB LEU 79 -6.780 -3.944 0.927 605 HB3 LEU 79 2HB LEU 79 -6.405 -3.016 2.378 606 HG LEU 79 HG LEU 79 -4.098 -4.257 2.197 607 HD11 LEU 79 1HD1 LEU 79 -4.576 -5.740 0.405 608 HD12 LEU 79 2HD1 LEU 79 -3.484 -4.506 -0.222 609 HD13 LEU 79 3HD1 LEU 79 -5.205 -4.431 -0.596 610 HD21 LEU 79 3HD2 LEU 79 -3.563 -2.122 1.911 611 HD22 LEU 79 1HD2 LEU 79 -5.150 -1.767 1.228 612 HD23 LEU 79 2HD2 LEU 79 -3.844 -2.326 0.182 613 H ASN 80 H ASN 80 -8.109 -4.314 4.547 614 HA ASN 80 HA ASN 80 -6.098 -3.550 6.429 615 HB2 ASN 80 1HB ASN 80 -8.303 -2.428 6.290 616 HB3 ASN 80 2HB ASN 80 -9.073 -3.909 6.851 617 HD21 ASN 80 1HD2 ASN 80 -8.542 -1.035 7.896 618 HD22 ASN 80 2HD2 ASN 80 -8.084 -1.310 9.539 619 H ARG 81 H ARG 81 -8.044 -6.394 5.882 620 HA ARG 81 HA ARG 81 -6.990 -7.608 8.343 621 HB2 ARG 81 1HB ARG 81 -9.390 -8.202 6.635 622 HB3 ARG 81 2HB ARG 81 -8.747 -9.410 7.739 623 HG2 ARG 81 1HG ARG 81 -9.063 -7.862 9.610 624 HG3 ARG 81 2HG ARG 81 -9.731 -6.667 8.496 625 HD2 ARG 81 1HD ARG 81 -11.444 -8.427 7.865 626 HD3 ARG 81 2HD ARG 81 -10.870 -9.345 9.257 627 HE ARG 81 HE ARG 81 -11.588 -6.654 9.918 628 HH11 ARG 81 1HH1 ARG 81 -12.820 -9.867 9.391 629 HH12 ARG 81 2HH1 ARG 81 -14.223 -9.632 10.381 630 HH21 ARG 81 1HH2 ARG 81 -13.431 -6.333 11.223 631 HH22 ARG 81 2HH2 ARG 81 -14.570 -7.621 11.422 632 H LYS 82 H LYS 82 -6.111 -7.327 5.254 633 HA LYS 82 HA LYS 82 -5.084 -10.086 5.094 634 HB2 LYS 82 1HB LYS 82 -5.847 -8.172 2.888 635 HB3 LYS 82 2HB LYS 82 -4.921 -9.641 2.608 636 HG2 LYS 82 1HG LYS 82 -7.631 -9.634 3.909 637 HG3 LYS 82 2HG LYS 82 -7.390 -9.795 2.168 638 HD2 LYS 82 1HD LYS 82 -5.872 -11.600 3.986 639 HD3 LYS 82 2HD LYS 82 -7.591 -11.912 3.732 640 HE2 LYS 82 1HE LYS 82 -6.646 -13.172 2.053 641 HE3 LYS 82 2HE LYS 82 -6.971 -11.658 1.210 642 HZ1 LYS 82 3HZ LYS 82 -4.360 -12.081 2.499 643 HZ2 LYS 82 1HZ LYS 82 -4.756 -11.094 1.183 644 HZ3 LYS 82 2HZ LYS 82 -4.667 -12.771 0.986 645 H VAL 83 H VAL 83 -4.361 -6.684 4.913 646 HA VAL 83 HA VAL 83 -1.500 -7.338 4.616 647 HB VAL 83 HB VAL 83 -2.922 -4.798 3.807 648 HG11 VAL 83 1HG1 VAL 83 -0.702 -4.189 2.840 649 HG12 VAL 83 2HG1 VAL 83 -0.736 -4.238 4.604 650 HG13 VAL 83 3HG1 VAL 83 -0.010 -5.566 3.697 651 HG21 VAL 83 3HG2 VAL 83 -1.980 -5.555 1.525 652 HG22 VAL 83 1HG2 VAL 83 -1.860 -7.145 2.279 653 HG23 VAL 83 2HG2 VAL 83 -3.428 -6.348 2.147 654 H LEU 84 H LEU 84 -3.244 -4.425 5.670 655 HA LEU 84 HA LEU 84 -1.562 -3.406 7.482 656 HB2 LEU 84 1HB LEU 84 -4.523 -3.731 7.947 657 HB3 LEU 84 2HB LEU 84 -3.476 -2.564 8.752 658 HG LEU 84 HG LEU 84 -4.095 -2.597 5.799 659 HD11 LEU 84 1HD1 LEU 84 -5.775 -1.838 7.829 660 HD12 LEU 84 2HD1 LEU 84 -5.843 -1.259 6.165 661 HD13 LEU 84 3HD1 LEU 84 -4.985 -0.324 7.389 662 HD21 LEU 84 3HD2 LEU 84 -2.304 -1.295 5.623 663 HD22 LEU 84 1HD2 LEU 84 -2.075 -1.273 7.371 664 HD23 LEU 84 2HD2 LEU 84 -3.150 -0.101 6.608 665 H LYS 85 H LYS 85 -4.062 -5.760 8.459 666 HA LYS 85 HA LYS 85 -3.502 -6.224 11.030 667 HB2 LYS 85 1HB LYS 85 -5.062 -7.512 9.392 668 HB3 LYS 85 2HB LYS 85 -3.702 -8.616 9.226 669 HG2 LYS 85 1HG LYS 85 -4.814 -9.650 10.910 670 HG3 LYS 85 2HG LYS 85 -3.804 -8.565 11.868 671 HD2 LYS 85 1HD LYS 85 -6.558 -7.782 10.958 672 HD3 LYS 85 2HD LYS 85 -6.292 -8.686 12.450 673 HE2 LYS 85 1HE LYS 85 -4.525 -6.755 12.863 674 HE3 LYS 85 2HE LYS 85 -5.595 -5.877 11.770 675 HZ1 LYS 85 3HZ LYS 85 -7.117 -5.661 13.357 676 HZ2 LYS 85 1HZ LYS 85 -5.940 -6.180 14.457 677 HZ3 LYS 85 2HZ LYS 85 -7.031 -7.292 13.798 678 H ARG 86 H ARG 86 -1.758 -7.917 8.416 679 HA ARG 86 HA ARG 86 0.099 -9.242 9.988 680 HB2 ARG 86 1HB ARG 86 0.297 -8.167 7.177 681 HB3 ARG 86 2HB ARG 86 1.570 -9.132 7.913 682 HG2 ARG 86 1HG ARG 86 -1.262 -10.105 7.742 683 HG3 ARG 86 2HG ARG 86 -0.104 -10.337 6.431 684 HD2 ARG 86 1HD ARG 86 0.599 -11.144 9.224 685 HD3 ARG 86 2HD ARG 86 -0.410 -12.191 8.228 686 HE ARG 86 HE ARG 86 1.932 -11.404 6.832 687 HH11 ARG 86 1HH1 ARG 86 0.788 -13.542 9.330 688 HH12 ARG 86 2HH1 ARG 86 2.039 -14.715 9.081 689 HH21 ARG 86 1HH2 ARG 86 3.585 -12.940 6.495 690 HH22 ARG 86 2HH2 ARG 86 3.630 -14.371 7.469 691 H LEU 87 H LEU 87 0.193 -5.955 8.700 692 HA LEU 87 HA LEU 87 2.812 -5.464 9.846 693 HB2 LEU 87 1HB LEU 87 0.885 -3.663 8.387 694 HB3 LEU 87 2HB LEU 87 2.484 -3.173 8.942 695 HG LEU 87 HG LEU 87 2.196 -5.492 7.074 696 HD11 LEU 87 1HD1 LEU 87 2.080 -2.574 6.354 697 HD12 LEU 87 2HD1 LEU 87 0.931 -3.844 5.935 698 HD13 LEU 87 3HD1 LEU 87 2.540 -3.838 5.213 699 HD21 LEU 87 3HD2 LEU 87 4.389 -5.363 7.680 700 HD22 LEU 87 1HD2 LEU 87 4.322 -3.625 7.977 701 HD23 LEU 87 2HD2 LEU 87 4.404 -4.234 6.324 702 H ASN 88 H ASN 88 0.569 -6.126 11.613 703 HA ASN 88 HA ASN 88 -0.552 -5.356 13.466 704 HB2 ASN 88 1HB ASN 88 2.181 -4.095 13.770 705 HB3 ASN 88 2HB ASN 88 0.995 -4.206 15.067 706 HD21 ASN 88 1HD2 ASN 88 2.663 -6.232 12.688 707 HD22 ASN 88 2HD2 ASN 88 2.861 -7.595 13.733 708 H PHE 89 H PHE 89 -1.126 -3.771 11.190 709 HA PHE 89 HA PHE 89 -1.333 -1.076 12.360 710 HB2 PHE 89 1HB PHE 89 -0.177 -1.567 10.040 711 HB3 PHE 89 2HB PHE 89 -1.838 -1.593 9.458 712 HD1 PHE 89 2HD PHE 89 -3.230 0.426 9.595 713 HD2 PHE 89 1HD PHE 89 0.883 0.464 10.687 714 HE1 PHE 89 2HE PHE 89 -3.221 2.882 9.463 715 HE2 PHE 89 1HE PHE 89 0.899 2.921 10.557 716 HZ PHE 89 HZ PHE 89 -1.155 4.133 9.943 717 H SER 90 H SER 90 -3.304 -0.070 12.491 718 HA SER 90 HA SER 90 -5.663 -1.471 11.477 719 HB2 SER 90 1HB SER 90 -6.807 -1.383 13.613 720 HB3 SER 90 2HB SER 90 -5.282 -2.243 13.820 721 HG SER 90 HG SER 90 -5.925 0.403 14.585 722 H VAL 91 H VAL 91 -7.470 -0.155 11.150 723 HA VAL 91 HA VAL 91 -7.319 2.665 11.828 724 HB VAL 91 HB VAL 91 -7.429 1.753 8.950 725 HG11 VAL 91 1HG1 VAL 91 -8.922 3.712 9.672 726 HG12 VAL 91 2HG1 VAL 91 -7.413 4.603 9.884 727 HG13 VAL 91 3HG1 VAL 91 -7.842 3.956 8.300 728 HG21 VAL 91 3HG2 VAL 91 -5.173 1.719 9.725 729 HG22 VAL 91 1HG2 VAL 91 -5.378 3.184 8.764 730 HG23 VAL 91 2HG2 VAL 91 -5.362 3.279 10.525 731 HA PRO 92 HA PRO 92 -11.665 2.003 12.201 732 HB2 PRO 92 1HB PRO 92 -12.444 4.600 12.333 733 HB3 PRO 92 2HB PRO 92 -11.646 3.767 13.672 734 HG2 PRO 92 1HG PRO 92 -10.481 5.625 11.634 735 HG3 PRO 92 2HG PRO 92 -10.189 5.556 13.382 736 HD2 PRO 92 1HD PRO 92 -8.473 4.496 11.575 737 HD3 PRO 92 2HD PRO 92 -8.706 3.801 13.192 738 H ASP 93 H ASP 93 -13.707 2.577 11.128 739 HA ASP 93 HA ASP 93 -13.471 2.465 8.309 740 HB2 ASP 93 1HB ASP 93 -15.724 2.618 10.256 741 HB3 ASP 93 2HB ASP 93 -16.063 3.003 8.570 742 H ASP 94 H ASP 94 -14.603 5.022 10.504 743 HA ASP 94 HA ASP 94 -15.397 6.960 8.779 744 HB2 ASP 94 1HB ASP 94 -14.181 8.569 10.482 745 HB3 ASP 94 2HB ASP 94 -15.581 7.622 10.978 746 H VAL 95 H VAL 95 -12.050 6.160 9.607 747 HA VAL 95 HA VAL 95 -10.881 8.233 8.051 748 HB VAL 95 HB VAL 95 -9.711 5.650 9.088 749 HG11 VAL 95 1HG1 VAL 95 -8.541 6.570 7.069 750 HG12 VAL 95 2HG1 VAL 95 -8.201 8.023 8.011 751 HG13 VAL 95 3HG1 VAL 95 -7.547 6.466 8.521 752 HG21 VAL 95 3HG2 VAL 95 -9.025 8.365 10.111 753 HG22 VAL 95 1HG2 VAL 95 -10.539 7.614 10.616 754 HG23 VAL 95 2HG2 VAL 95 -9.004 6.810 10.942 755 H MET 96 H MET 96 -11.616 4.829 7.440 756 HA MET 96 HA MET 96 -10.333 4.592 4.960 757 HB2 MET 96 1HB MET 96 -12.752 3.167 6.071 758 HB3 MET 96 2HB MET 96 -11.955 2.709 4.572 759 HG2 MET 96 1HG MET 96 -9.830 2.645 6.132 760 HG3 MET 96 2HG MET 96 -11.050 2.398 7.380 761 HE1 MET 96 3HE MET 96 -11.098 0.490 8.254 762 HE2 MET 96 1HE MET 96 -12.459 -0.326 7.483 763 HE3 MET 96 2HE MET 96 -10.888 -1.123 7.570 764 H ARG 97 H ARG 97 -13.760 5.272 5.674 765 HA ARG 97 HA ARG 97 -14.802 5.535 3.185 766 HB2 ARG 97 1HB ARG 97 -15.303 7.024 5.728 767 HB3 ARG 97 2HB ARG 97 -16.111 7.555 4.260 768 HG2 ARG 97 1HG ARG 97 -16.233 4.703 5.172 769 HG3 ARG 97 2HG ARG 97 -17.348 5.927 5.784 770 HD2 ARG 97 1HD ARG 97 -16.945 5.544 2.840 771 HD3 ARG 97 2HD ARG 97 -18.046 4.504 3.743 772 HE ARG 97 HE ARG 97 -18.430 7.290 3.076 773 HH11 ARG 97 1HH1 ARG 97 -19.398 4.621 5.090 774 HH12 ARG 97 2HH1 ARG 97 -20.953 5.292 5.456 775 HH21 ARG 97 1HH2 ARG 97 -20.474 8.184 3.551 776 HH22 ARG 97 2HH2 ARG 97 -21.564 7.318 4.580 777 H LYS 98 H LYS 98 -13.144 8.144 4.956 778 HA LYS 98 HA LYS 98 -13.285 10.112 3.008 779 HB2 LYS 98 1HB LYS 98 -11.186 9.557 5.103 780 HB3 LYS 98 2HB LYS 98 -11.153 10.988 4.082 781 HG2 LYS 98 1HG LYS 98 -12.977 11.929 5.100 782 HG3 LYS 98 2HG LYS 98 -13.630 10.372 5.614 783 HD2 LYS 98 1HD LYS 98 -11.970 10.175 7.334 784 HD3 LYS 98 2HD LYS 98 -11.118 11.603 6.741 785 HE2 LYS 98 1HE LYS 98 -13.966 11.698 7.701 786 HE3 LYS 98 2HE LYS 98 -12.595 11.911 8.788 787 HZ1 LYS 98 3HZ LYS 98 -13.709 13.736 6.857 788 HZ2 LYS 98 1HZ LYS 98 -12.023 13.618 6.782 789 HZ3 LYS 98 2HZ LYS 98 -12.776 14.052 8.233 790 H ILE 99 H ILE 99 -10.812 7.610 3.473 791 HA ILE 99 HA ILE 99 -9.023 8.370 1.497 792 HB ILE 99 HB ILE 99 -9.760 5.568 2.349 793 HG12 ILE 99 1HG1 ILE 99 -7.410 7.256 3.214 794 HG13 ILE 99 2HG1 ILE 99 -8.922 7.185 4.112 795 HG21 ILE 99 1HG2 ILE 99 -7.052 6.014 1.382 796 HG22 ILE 99 2HG2 ILE 99 -8.200 4.737 0.986 797 HG23 ILE 99 3HG2 ILE 99 -8.279 6.286 0.146 798 HD11 ILE 99 3HD1 ILE 99 -8.329 5.293 5.092 799 HD12 ILE 99 1HD1 ILE 99 -7.927 4.542 3.548 800 HD13 ILE 99 2HD1 ILE 99 -6.726 5.519 4.393 801 H ALA 100 H ALA 100 -11.686 6.015 1.185 802 HA ALA 100 HA ALA 100 -11.407 5.608 -1.578 803 HB1 ALA 100 3HB ALA 100 -13.453 4.456 -1.491 804 HB2 ALA 100 1HB ALA 100 -12.721 4.216 0.096 805 HB3 ALA 100 2HB ALA 100 -14.018 5.394 -0.109 806 H GLN 101 H GLN 101 -12.538 8.303 0.132 807 HA GLN 101 HA GLN 101 -14.188 9.263 -2.081 808 HB2 GLN 101 1HB GLN 101 -13.825 10.049 0.772 809 HB3 GLN 101 2HB GLN 101 -14.357 11.279 -0.367 810 HG2 GLN 101 1HG GLN 101 -15.759 8.649 -0.267 811 HG3 GLN 101 2HG GLN 101 -16.097 9.875 0.954 812 HE21 GLN 101 1HE2 GLN 101 -17.738 8.721 -1.238 813 HE22 GLN 101 2HE2 GLN 101 -18.306 10.083 -2.137 814 H CYS 102 H CYS 102 -11.070 9.075 -1.739 815 HA CYS 102 HA CYS 102 -9.250 10.232 -2.460 816 HB2 CYS 102 1HB CYS 102 -11.272 11.911 -3.956 817 HB3 CYS 102 2HB CYS 102 -9.561 11.748 -4.331 818 HG CYS 102 HG CYS 102 -11.116 8.809 -4.289 819 H ALA 103 H ALA 103 -9.774 10.934 0.012 820 HA ALA 103 HA ALA 103 -10.075 13.823 0.217 821 HB1 ALA 103 3HB ALA 103 -9.557 11.881 2.458 822 HB2 ALA 103 1HB ALA 103 -10.221 13.512 2.565 823 HB3 ALA 103 2HB ALA 103 -11.166 12.221 1.821 824 HA PRO 104 HA PRO 104 -5.675 14.418 0.024 825 HB2 PRO 104 1HB PRO 104 -5.708 17.072 0.591 826 HB3 PRO 104 2HB PRO 104 -6.153 16.423 -0.992 827 HG2 PRO 104 1HG PRO 104 -7.920 17.293 1.262 828 HG3 PRO 104 2HG PRO 104 -8.093 17.596 -0.476 829 HD2 PRO 104 1HD PRO 104 -9.496 15.673 0.814 830 HD3 PRO 104 2HD PRO 104 -8.986 15.510 -0.879 831 H GLY 105 H GLY 105 -4.148 14.120 1.529 832 HA2 GLY 105 1HA GLY 105 -3.003 14.395 3.535 833 HA3 GLY 105 2HA GLY 105 -4.326 15.391 4.123 834 H VAL 106 H VAL 106 -6.051 12.968 3.117 835 HA VAL 106 HA VAL 106 -6.227 11.746 5.718 836 HB VAL 106 HB VAL 106 -7.727 11.129 3.169 837 HG11 VAL 106 1HG1 VAL 106 -8.598 10.359 5.931 838 HG12 VAL 106 2HG1 VAL 106 -9.135 9.722 4.375 839 HG13 VAL 106 3HG1 VAL 106 -7.533 9.315 4.990 840 HG21 VAL 106 3HG2 VAL 106 -9.565 12.256 4.708 841 HG22 VAL 106 1HG2 VAL 106 -8.147 13.046 5.399 842 HG23 VAL 106 2HG2 VAL 106 -8.501 13.216 3.679 843 H VAL 107 H VAL 107 -6.146 10.167 2.529 844 HA VAL 107 HA VAL 107 -5.304 7.685 3.352 845 HB VAL 107 HB VAL 107 -6.030 7.999 1.090 846 HG11 VAL 107 1HG1 VAL 107 -5.249 10.273 0.743 847 HG12 VAL 107 2HG1 VAL 107 -3.576 9.714 0.717 848 HG13 VAL 107 3HG1 VAL 107 -4.690 9.227 -0.561 849 HG21 VAL 107 3HG2 VAL 107 -4.751 6.339 0.323 850 HG22 VAL 107 1HG2 VAL 107 -3.304 7.347 0.333 851 HG23 VAL 107 2HG2 VAL 107 -3.810 6.515 1.803 852 H GLU 108 H GLU 108 -3.342 10.528 2.648 853 HA GLU 108 HA GLU 108 -0.816 9.362 2.653 854 HB2 GLU 108 1HB GLU 108 -1.747 12.101 3.500 855 HB3 GLU 108 2HB GLU 108 -0.048 11.649 3.475 856 HG2 GLU 108 1HG GLU 108 -0.253 11.133 1.073 857 HG3 GLU 108 2HG GLU 108 -1.924 11.692 1.123 858 H LEU 109 H LEU 109 -2.723 10.623 5.366 859 HA LEU 109 HA LEU 109 -0.927 10.388 7.425 860 HB2 LEU 109 1HB LEU 109 -3.886 9.888 7.332 861 HB3 LEU 109 2HB LEU 109 -2.974 9.791 8.836 862 HG LEU 109 HG LEU 109 -2.795 12.279 7.200 863 HD11 LEU 109 1HD1 LEU 109 -5.249 11.456 7.562 864 HD12 LEU 109 2HD1 LEU 109 -4.816 13.137 7.871 865 HD13 LEU 109 3HD1 LEU 109 -4.976 12.006 9.215 866 HD21 LEU 109 3HD2 LEU 109 -2.891 13.110 9.692 867 HD22 LEU 109 1HD2 LEU 109 -1.404 12.451 9.011 868 HD23 LEU 109 2HD2 LEU 109 -2.428 11.443 10.035 869 H VAL 110 H VAL 110 -2.424 7.860 5.609 870 HA VAL 110 HA VAL 110 -1.597 5.821 7.538 871 HB VAL 110 HB VAL 110 -3.022 5.348 4.924 872 HG11 VAL 110 1HG1 VAL 110 -3.746 3.544 6.987 873 HG12 VAL 110 2HG1 VAL 110 -2.864 3.210 5.496 874 HG13 VAL 110 3HG1 VAL 110 -1.987 3.656 6.960 875 HG21 VAL 110 3HG2 VAL 110 -4.642 6.634 5.855 876 HG22 VAL 110 1HG2 VAL 110 -5.002 5.133 6.707 877 HG23 VAL 110 2HG2 VAL 110 -4.049 6.389 7.497 878 H LEU 111 H LEU 111 -0.672 7.223 4.524 879 HA LEU 111 HA LEU 111 0.978 5.030 3.668 880 HB2 LEU 111 1HB LEU 111 0.891 7.899 2.747 881 HB3 LEU 111 2HB LEU 111 1.774 6.598 1.952 882 HG LEU 111 HG LEU 111 -1.225 6.771 2.235 883 HD11 LEU 111 1HD1 LEU 111 0.686 7.623 0.140 884 HD12 LEU 111 2HD1 LEU 111 -0.876 8.302 0.598 885 HD13 LEU 111 3HD1 LEU 111 -0.804 6.843 -0.390 886 HD21 LEU 111 3HD2 LEU 111 -1.223 4.866 0.672 887 HD22 LEU 111 1HD2 LEU 111 -0.475 4.471 2.220 888 HD23 LEU 111 2HD2 LEU 111 0.534 4.780 0.807 889 H ILE 112 H ILE 112 1.508 8.172 5.209 890 HA ILE 112 HA ILE 112 4.208 8.424 5.205 891 HB ILE 112 HB ILE 112 2.132 9.115 7.206 892 HG12 ILE 112 1HG1 ILE 112 4.373 10.832 6.170 893 HG13 ILE 112 2HG1 ILE 112 2.970 10.478 5.167 894 HG21 ILE 112 1HG2 ILE 112 3.734 8.324 8.747 895 HG22 ILE 112 2HG2 ILE 112 5.070 9.022 7.832 896 HG23 ILE 112 3HG2 ILE 112 3.945 10.074 8.691 897 HD11 ILE 112 3HD1 ILE 112 2.675 12.596 6.251 898 HD12 ILE 112 1HD1 ILE 112 1.526 11.438 6.919 899 HD13 ILE 112 2HD1 ILE 112 2.972 11.872 7.831 900 HA PRO 113 HA PRO 113 4.713 5.475 9.001 901 HB2 PRO 113 1HB PRO 113 2.555 3.994 9.722 902 HB3 PRO 113 2HB PRO 113 2.879 5.602 10.380 903 HG2 PRO 113 1HG PRO 113 1.009 4.795 8.186 904 HG3 PRO 113 2HG PRO 113 0.748 5.941 9.514 905 HD2 PRO 113 1HD PRO 113 1.366 6.740 7.001 906 HD3 PRO 113 2HD PRO 113 1.885 7.636 8.443 907 H LEU 114 H LEU 114 2.451 4.369 6.512 908 HA LEU 114 HA LEU 114 2.851 1.699 6.400 909 HB2 LEU 114 1HB LEU 114 1.555 3.272 4.816 910 HB3 LEU 114 2HB LEU 114 3.046 3.303 3.877 911 HG LEU 114 HG LEU 114 2.798 0.699 3.948 912 HD11 LEU 114 1HD1 LEU 114 0.167 1.685 4.884 913 HD12 LEU 114 2HD1 LEU 114 1.010 0.179 5.245 914 HD13 LEU 114 3HD1 LEU 114 0.171 0.373 3.705 915 HD21 LEU 114 3HD2 LEU 114 1.060 2.466 2.229 916 HD22 LEU 114 1HD2 LEU 114 1.500 0.796 1.871 917 HD23 LEU 114 2HD2 LEU 114 2.746 2.044 1.923 918 H ARG 115 H ARG 115 4.869 3.948 4.498 919 HA ARG 115 HA ARG 115 6.793 2.122 3.706 920 HB2 ARG 115 1HB ARG 115 6.658 4.351 2.748 921 HB3 ARG 115 2HB ARG 115 7.107 5.071 4.288 922 HG2 ARG 115 1HG ARG 115 8.941 3.129 2.953 923 HG3 ARG 115 2HG ARG 115 8.884 4.813 2.426 924 HD2 ARG 115 1HD ARG 115 9.172 5.365 4.932 925 HD3 ARG 115 2HD ARG 115 9.701 3.690 5.082 926 HE ARG 115 HE ARG 115 11.690 4.303 4.157 927 HH11 ARG 115 1HH1 ARG 115 9.290 6.668 3.283 928 HH12 ARG 115 2HH1 ARG 115 10.421 7.717 2.494 929 HH21 ARG 115 1HH2 ARG 115 13.190 5.675 3.121 930 HH22 ARG 115 2HH2 ARG 115 12.639 7.150 2.402 931 H GLN 116 H GLN 116 6.730 4.155 6.614 932 HA GLN 116 HA GLN 116 9.225 3.518 7.648 933 HB2 GLN 116 1HB GLN 116 6.622 4.265 8.952 934 HB3 GLN 116 2HB GLN 116 8.052 3.920 9.916 935 HG2 GLN 116 1HG GLN 116 9.139 5.668 8.251 936 HG3 GLN 116 2HG GLN 116 7.467 6.214 8.136 937 HE21 GLN 116 1HE2 GLN 116 10.081 7.185 9.451 938 HE22 GLN 116 2HE2 GLN 116 9.568 7.670 11.027 939 H ARG 117 H ARG 117 6.209 1.724 7.773 940 HA ARG 117 HA ARG 117 7.153 -0.226 9.645 941 HB2 ARG 117 1HB ARG 117 4.742 0.014 7.876 942 HB3 ARG 117 2HB ARG 117 5.093 -1.505 8.688 943 HG2 ARG 117 1HG ARG 117 4.930 1.077 10.199 944 HG3 ARG 117 2HG ARG 117 3.494 0.120 9.830 945 HD2 ARG 117 1HD ARG 117 4.036 -0.731 11.885 946 HD3 ARG 117 2HD ARG 117 4.934 -1.831 10.841 947 HE ARG 117 HE ARG 117 6.885 -0.990 11.691 948 HH11 ARG 117 1HH1 ARG 117 4.269 1.164 12.489 949 HH12 ARG 117 2HH1 ARG 117 5.230 2.153 13.538 950 HH21 ARG 117 1HH2 ARG 117 8.161 0.305 13.069 951 HH22 ARG 117 2HH2 ARG 117 7.444 1.664 13.866 952 H LEU 118 H LEU 118 6.531 -0.284 6.136 953 HA LEU 118 HA LEU 118 7.313 -2.854 5.562 954 HB2 LEU 118 1HB LEU 118 7.674 -0.325 3.975 955 HB3 LEU 118 2HB LEU 118 8.031 -1.924 3.326 956 HG LEU 118 HG LEU 118 5.311 -1.170 4.372 957 HD11 LEU 118 1HD1 LEU 118 5.548 0.368 2.649 958 HD12 LEU 118 2HD1 LEU 118 4.800 -1.015 1.851 959 HD13 LEU 118 3HD1 LEU 118 6.530 -0.725 1.673 960 HD21 LEU 118 3HD2 LEU 118 5.313 -3.080 2.270 961 HD22 LEU 118 1HD2 LEU 118 4.833 -3.294 3.953 962 HD23 LEU 118 2HD2 LEU 118 6.505 -3.581 3.470 963 H GLU 119 H GLU 119 9.336 -0.030 6.123 964 HA GLU 119 HA GLU 119 11.787 -1.022 5.258 965 HB2 GLU 119 1HB GLU 119 11.044 0.944 7.410 966 HB3 GLU 119 2HB GLU 119 12.723 0.534 7.088 967 HG2 GLU 119 1HG GLU 119 12.066 1.125 4.621 968 HG3 GLU 119 2HG GLU 119 10.781 2.037 5.412 969 H GLU 120 H GLU 120 10.390 -1.146 8.535 970 HA GLU 120 HA GLU 120 12.457 -2.631 9.709 971 HB2 GLU 120 1HB GLU 120 10.559 -1.378 10.863 972 HB3 GLU 120 2HB GLU 120 9.562 -2.788 10.532 973 HG2 GLU 120 1HG GLU 120 10.273 -3.219 12.665 974 HG3 GLU 120 2HG GLU 120 11.477 -4.087 11.714 975 H ARG 121 H ARG 121 9.405 -3.682 8.232 976 HA ARG 121 HA ARG 121 9.540 -6.391 8.761 977 HB2 ARG 121 1HB ARG 121 8.409 -4.855 6.434 978 HB3 ARG 121 2HB ARG 121 8.295 -6.608 6.514 979 HG2 ARG 121 1HG ARG 121 7.366 -4.981 8.830 980 HG3 ARG 121 2HG ARG 121 6.352 -5.111 7.392 981 HD2 ARG 121 1HD ARG 121 7.486 -7.493 8.844 982 HD3 ARG 121 2HD ARG 121 5.904 -6.804 9.204 983 HE ARG 121 HE ARG 121 6.195 -7.398 6.433 984 HH11 ARG 121 1HH1 ARG 121 5.548 -8.819 9.544 985 HH12 ARG 121 2HH1 ARG 121 4.647 -10.149 8.895 986 HH21 ARG 121 1HH2 ARG 121 5.011 -9.144 5.566 987 HH22 ARG 121 2HH2 ARG 121 4.343 -10.333 6.631 988 H GLN 122 H GLN 122 11.105 -4.550 6.186 989 HA GLN 122 HA GLN 122 12.118 -6.739 4.737 990 HB2 GLN 122 1HB GLN 122 12.076 -4.571 3.715 991 HB3 GLN 122 2HB GLN 122 13.077 -3.888 4.988 992 HG2 GLN 122 1HG GLN 122 14.980 -5.142 4.246 993 HG3 GLN 122 2HG GLN 122 13.997 -6.016 3.071 994 HE21 GLN 122 1HE2 GLN 122 16.363 -4.439 2.600 995 HE22 GLN 122 2HE2 GLN 122 15.910 -3.173 1.516 996 H ARG 123 H ARG 123 14.151 -4.489 6.595 997 HA ARG 123 HA ARG 123 15.611 -6.809 7.668 998 HB2 ARG 123 1HB ARG 123 17.667 -5.983 7.058 999 HB3 ARG 123 2HB ARG 123 16.693 -5.418 5.708 1000 HG2 ARG 123 1HG ARG 123 16.413 -3.286 7.210 1001 HG3 ARG 123 2HG ARG 123 17.900 -3.884 7.951 1002 HD2 ARG 123 1HD ARG 123 17.677 -3.665 4.976 1003 HD3 ARG 123 2HD ARG 123 18.030 -2.235 5.946 1004 HE ARG 123 HE ARG 123 19.764 -4.355 6.651 1005 HH11 ARG 123 1HH1 ARG 123 19.168 -2.030 4.129 1006 HH12 ARG 123 2HH1 ARG 123 20.820 -1.976 3.610 1007 HH21 ARG 123 1HH2 ARG 123 21.942 -4.292 5.976 1008 HH22 ARG 123 2HH2 ARG 123 22.396 -3.263 4.661 1009 H ARG 124 H ARG 124 16.793 -6.385 9.646 1010 HA ARG 124 HA ARG 124 15.882 -4.019 11.127 1011 HB2 ARG 124 1HB ARG 124 15.767 -6.878 12.101 1012 HB3 ARG 124 2HB ARG 124 15.534 -5.471 13.130 1013 HG2 ARG 124 1HG ARG 124 13.600 -4.818 11.743 1014 HG3 ARG 124 2HG ARG 124 13.811 -6.297 10.804 1015 HD2 ARG 124 1HD ARG 124 13.586 -6.501 13.766 1016 HD3 ARG 124 2HD ARG 124 12.127 -6.183 12.829 1017 HE ARG 124 HE ARG 124 13.563 -8.651 12.995 1018 HH11 ARG 124 1HH1 ARG 124 11.522 -6.700 10.959 1019 HH12 ARG 124 2HH1 ARG 124 10.911 -8.048 10.058 1020 HH21 ARG 124 1HH2 ARG 124 12.766 -10.434 11.816 1021 HH22 ARG 124 2HH2 ARG 124 11.618 -10.171 10.547 1022 H ARG 125 H ARG 125 17.197 -3.498 12.991 1023 HA ARG 125 HA ARG 125 19.973 -3.786 12.458 1024 HB2 ARG 125 1HB ARG 125 18.352 -2.504 14.622 1025 HB3 ARG 125 2HB ARG 125 20.082 -2.715 14.854 1026 HG2 ARG 125 1HG ARG 125 19.087 -1.441 12.350 1027 HG3 ARG 125 2HG ARG 125 19.142 -0.506 13.846 1028 HD2 ARG 125 1HD ARG 125 21.477 -1.990 12.647 1029 HD3 ARG 125 2HD ARG 125 21.181 -0.262 12.464 1030 HE ARG 125 HE ARG 125 21.192 -0.682 15.165 1031 HH11 ARG 125 1HH1 ARG 125 23.417 -1.290 12.556 1032 HH12 ARG 125 2HH1 ARG 125 24.828 -1.113 13.546 1033 HH21 ARG 125 1HH2 ARG 125 23.043 -0.448 16.477 1034 HH22 ARG 125 2HH2 ARG 125 24.614 -0.635 15.776 1035 H LYS 126 H LYS 126 21.417 -5.209 13.208 1036 HA LYS 126 HA LYS 126 20.933 -6.705 15.639 1037 HB2 LYS 126 1HB LYS 126 19.814 -7.904 13.625 1038 HB3 LYS 126 2HB LYS 126 21.459 -8.310 13.155 1039 HG2 LYS 126 1HG LYS 126 20.571 -10.145 14.379 1040 HG3 LYS 126 2HG LYS 126 21.770 -9.347 15.399 1041 HD2 LYS 126 1HD LYS 126 20.161 -8.454 16.811 1042 HD3 LYS 126 2HD LYS 126 18.881 -8.594 15.604 1043 HE2 LYS 126 1HE LYS 126 18.601 -10.865 15.981 1044 HE3 LYS 126 2HE LYS 126 20.209 -11.048 16.681 1045 HZ1 LYS 126 3HZ LYS 126 18.066 -11.005 18.170 1046 HZ2 LYS 126 1HZ LYS 126 18.291 -9.331 18.073 1047 HZ3 LYS 126 2HZ LYS 126 19.515 -10.313 18.704 1048 H GLN 127 H GLN 127 22.795 -6.993 16.683 1049 HA GLN 127 HA GLN 127 25.292 -7.007 15.126 1050 HB2 GLN 127 1HB GLN 127 24.848 -4.807 16.276 1051 HB3 GLN 127 2HB GLN 127 24.964 -5.662 17.808 1052 HG2 GLN 127 1HG GLN 127 27.272 -6.437 16.864 1053 HG3 GLN 127 2HG GLN 127 27.092 -5.022 15.828 1054 HE21 GLN 127 1HE2 GLN 127 26.948 -6.028 19.216 1055 HE22 GLN 127 2HE2 GLN 127 27.585 -4.558 19.863 Start of MODEL 9 1 H1 GLY 1 H GLY 1 6.288 28.633 -4.995 2 HA2 GLY 1 1HA GLY 1 4.181 27.588 -6.399 3 HA3 GLY 1 2HA GLY 1 5.601 26.937 -7.203 4 H SER 2 H SER 2 4.257 27.340 -3.929 5 HA SER 2 HA SER 2 4.303 25.993 -2.094 6 HB2 SER 2 1HB SER 2 4.048 24.091 -4.383 7 HB3 SER 2 2HB SER 2 4.344 23.429 -2.776 8 HG SER 2 HG SER 2 2.047 24.106 -3.730 9 H SER 3 H SER 3 6.775 27.045 -2.798 10 HA SER 3 HA SER 3 8.578 24.886 -1.930 11 HB2 SER 3 1HB SER 3 10.295 25.601 -3.386 12 HB3 SER 3 2HB SER 3 8.838 25.624 -4.379 13 HG SER 3 HG SER 3 10.496 27.620 -3.887 14 H GLY 4 H GLY 4 10.071 25.398 -0.373 15 HA2 GLY 4 1HA GLY 4 11.390 27.031 0.836 16 HA3 GLY 4 2HA GLY 4 10.089 28.187 0.589 17 H SER 5 H SER 5 11.531 26.276 2.832 18 HA SER 5 HA SER 5 9.237 26.492 4.613 19 HB2 SER 5 1HB SER 5 9.523 24.149 5.405 20 HB3 SER 5 2HB SER 5 8.983 24.243 3.729 21 HG SER 5 HG SER 5 11.710 23.990 4.441 22 H SER 6 H SER 6 9.786 26.860 6.712 23 HA SER 6 HA SER 6 12.313 26.232 7.839 24 HB2 SER 6 1HB SER 6 12.803 28.206 6.250 25 HB3 SER 6 2HB SER 6 11.928 29.190 7.423 26 HG SER 6 HG SER 6 13.763 29.263 8.434 27 H GLY 7 H GLY 7 12.552 27.111 10.045 28 HA2 GLY 7 1HA GLY 7 11.379 28.488 11.780 29 HA3 GLY 7 2HA GLY 7 9.904 27.724 11.207 30 H MET 8 H MET 8 10.947 27.705 13.892 31 HA MET 8 HA MET 8 12.321 25.453 14.664 32 HB2 MET 8 1HB MET 8 11.232 25.655 16.818 33 HB3 MET 8 2HB MET 8 11.592 27.258 16.192 34 HG2 MET 8 1HG MET 8 9.301 27.581 15.550 35 HG3 MET 8 2HG MET 8 8.905 25.923 15.997 36 HE1 MET 8 3HE MET 8 7.979 25.259 17.693 37 HE2 MET 8 1HE MET 8 8.773 25.397 19.262 38 HE3 MET 8 2HE MET 8 7.280 26.282 18.949 39 H ALA 9 H ALA 9 11.619 23.399 15.509 40 HA ALA 9 HA ALA 9 10.094 21.883 13.790 41 HB1 ALA 9 3HB ALA 9 10.812 20.215 15.071 42 HB2 ALA 9 1HB ALA 9 11.539 21.426 16.128 43 HB3 ALA 9 2HB ALA 9 9.917 20.820 16.465 44 H SER 10 H SER 10 7.985 21.259 13.643 45 HA SER 10 HA SER 10 6.048 21.772 15.671 46 HB2 SER 10 1HB SER 10 6.437 24.072 14.683 47 HB3 SER 10 2HB SER 10 5.770 23.451 13.173 48 HG SER 10 HG SER 10 4.240 24.519 14.611 49 H SER 11 H SER 11 3.725 21.625 14.500 50 HA SER 11 HA SER 11 3.277 19.077 13.749 51 HB2 SER 11 1HB SER 11 1.600 21.030 14.073 52 HB3 SER 11 2HB SER 11 1.766 21.260 12.332 53 HG SER 11 HG SER 11 0.935 18.889 13.655 54 H VAL 12 H VAL 12 2.751 18.064 11.674 55 HA VAL 12 HA VAL 12 4.790 17.875 9.914 56 HB VAL 12 HB VAL 12 1.863 17.655 9.193 57 HG11 VAL 12 1HG1 VAL 12 2.421 16.694 7.206 58 HG12 VAL 12 2HG1 VAL 12 3.799 17.783 7.378 59 HG13 VAL 12 3HG1 VAL 12 3.961 16.080 7.807 60 HG21 VAL 12 3HG2 VAL 12 2.704 16.254 11.113 61 HG22 VAL 12 1HG2 VAL 12 2.018 15.355 9.759 62 HG23 VAL 12 2HG2 VAL 12 3.768 15.451 9.958 63 H ASP 13 H ASP 13 5.614 18.961 8.216 64 HA ASP 13 HA ASP 13 4.175 21.363 7.299 65 HB2 ASP 13 1HB ASP 13 6.154 21.882 8.743 66 HB3 ASP 13 2HB ASP 13 7.176 21.090 7.547 67 H GLU 14 H GLU 14 5.117 22.156 5.138 68 HA GLU 14 HA GLU 14 4.576 20.341 3.148 69 HB2 GLU 14 1HB GLU 14 6.247 22.843 3.146 70 HB3 GLU 14 2HB GLU 14 6.001 21.905 1.680 71 HG2 GLU 14 1HG GLU 14 3.657 22.797 3.299 72 HG3 GLU 14 2HG GLU 14 4.457 23.915 2.195 73 H GLU 15 H GLU 15 7.763 21.221 4.448 74 HA GLU 15 HA GLU 15 9.409 19.779 2.797 75 HB2 GLU 15 1HB GLU 15 10.975 19.626 4.692 76 HB3 GLU 15 2HB GLU 15 10.270 21.230 4.548 77 HG2 GLU 15 1HG GLU 15 8.561 20.371 6.288 78 HG3 GLU 15 2HG GLU 15 9.766 19.124 6.605 79 H ALA 16 H ALA 16 7.638 18.596 5.631 80 HA ALA 16 HA ALA 16 8.646 15.956 5.546 81 HB1 ALA 16 3HB ALA 16 6.534 17.392 6.986 82 HB2 ALA 16 1HB ALA 16 6.222 15.673 6.745 83 HB3 ALA 16 2HB ALA 16 7.695 16.196 7.564 84 H LEU 17 H LEU 17 5.854 17.511 4.057 85 HA LEU 17 HA LEU 17 4.541 15.219 3.132 86 HB2 LEU 17 1HB LEU 17 4.634 18.059 2.179 87 HB3 LEU 17 2HB LEU 17 3.709 16.838 1.309 88 HG LEU 17 HG LEU 17 3.269 17.573 4.202 89 HD11 LEU 17 1HD1 LEU 17 1.428 18.886 3.526 90 HD12 LEU 17 2HD1 LEU 17 1.548 18.332 1.856 91 HD13 LEU 17 3HD1 LEU 17 2.786 19.397 2.522 92 HD21 LEU 17 3HD2 LEU 17 1.165 16.340 3.900 93 HD22 LEU 17 1HD2 LEU 17 2.577 15.310 3.665 94 HD23 LEU 17 2HD2 LEU 17 1.671 15.895 2.269 95 H HIS 18 H HIS 18 7.241 17.036 1.821 96 HA HIS 18 HA HIS 18 7.281 15.869 -0.747 97 HB2 HIS 18 1HB HIS 18 8.546 17.943 0.116 98 HB3 HIS 18 2HB HIS 18 9.749 16.799 0.703 99 HD1 HIS 18 1HD HIS 18 11.643 17.175 -0.875 100 HD2 HIS 18 2HD HIS 18 8.019 16.687 -2.848 101 HE1 HIS 18 1HE HIS 18 12.217 17.075 -3.322 102 HE2 HIS 18 2HE HIS 18 10.001 16.865 -4.500 103 H GLN 19 H GLN 19 9.286 15.146 2.116 104 HA GLN 19 HA GLN 19 10.762 13.056 1.233 105 HB2 GLN 19 1HB GLN 19 9.360 13.250 3.904 106 HB3 GLN 19 2HB GLN 19 10.678 12.143 3.543 107 HG2 GLN 19 1HG GLN 19 10.880 15.140 3.375 108 HG3 GLN 19 2HG GLN 19 11.373 14.178 4.768 109 HE21 GLN 19 1HE2 GLN 19 12.194 15.282 1.637 110 HE22 GLN 19 2HE2 GLN 19 13.752 14.542 1.536 111 H LEU 20 H LEU 20 7.378 12.912 2.253 112 HA LEU 20 HA LEU 20 7.121 10.098 1.962 113 HB2 LEU 20 1HB LEU 20 5.535 11.091 3.348 114 HB3 LEU 20 2HB LEU 20 5.192 12.375 2.191 115 HG LEU 20 HG LEU 20 4.239 10.419 0.741 116 HD11 LEU 20 1HD1 LEU 20 3.842 9.264 3.489 117 HD12 LEU 20 2HD1 LEU 20 5.086 8.701 2.374 118 HD13 LEU 20 3HD1 LEU 20 3.383 8.565 1.937 119 HD21 LEU 20 3HD2 LEU 20 2.345 11.481 1.196 120 HD22 LEU 20 1HD2 LEU 20 3.153 12.284 2.543 121 HD23 LEU 20 2HD2 LEU 20 2.290 10.769 2.810 122 H TYR 21 H TYR 21 6.505 12.844 -0.166 123 HA TYR 21 HA TYR 21 5.260 11.391 -2.244 124 HB2 TYR 21 1HB TYR 21 6.729 14.027 -2.212 125 HB3 TYR 21 2HB TYR 21 5.957 13.384 -3.657 126 HD1 TYR 21 2HD TYR 21 3.476 12.245 -2.553 127 HD2 TYR 21 1HD TYR 21 5.462 15.894 -1.633 128 HE1 TYR 21 2HE TYR 21 1.334 13.227 -1.850 129 HE2 TYR 21 1HE TYR 21 3.325 16.886 -0.926 130 HH TYR 21 HH TYR 21 1.022 16.615 -1.103 131 H LEU 22 H LEU 22 8.618 12.509 -1.849 132 HA LEU 22 HA LEU 22 9.679 11.490 -4.196 133 HB2 LEU 22 1HB LEU 22 11.031 11.630 -1.505 134 HB3 LEU 22 2HB LEU 22 11.838 11.511 -3.067 135 HG LEU 22 HG LEU 22 10.047 13.837 -2.510 136 HD11 LEU 22 1HD1 LEU 22 12.808 14.419 -1.932 137 HD12 LEU 22 2HD1 LEU 22 12.176 13.197 -0.830 138 HD13 LEU 22 3HD1 LEU 22 11.364 14.755 -0.978 139 HD21 LEU 22 3HD2 LEU 22 12.097 13.052 -4.451 140 HD22 LEU 22 1HD2 LEU 22 12.245 14.706 -3.858 141 HD23 LEU 22 2HD2 LEU 22 10.743 14.173 -4.614 142 H TRP 23 H TRP 23 9.540 9.912 -1.005 143 HA TRP 23 HA TRP 23 10.764 7.551 -1.447 144 HB2 TRP 23 1HB TRP 23 9.886 7.692 0.680 145 HB3 TRP 23 2HB TRP 23 8.322 8.269 0.112 146 HD1 TRP 23 HD TRP 23 10.315 4.940 -0.237 147 HE1 TRP 23 1HE TRP 23 8.659 2.999 0.106 148 HE3 TRP 23 3HE TRP 23 6.036 7.642 0.490 149 HZ2 TRP 23 2HZ TRP 23 5.904 2.659 0.617 150 HZ3 TRP 23 3HZ TRP 23 3.932 6.432 0.899 151 HH2 TRP 23 HH TRP 23 3.870 3.992 0.960 152 H VAL 24 H VAL 24 7.455 8.335 -2.464 153 HA VAL 24 HA VAL 24 7.076 5.781 -3.736 154 HB VAL 24 HB VAL 24 5.417 8.298 -3.944 155 HG11 VAL 24 1HG1 VAL 24 4.528 5.489 -4.533 156 HG12 VAL 24 2HG1 VAL 24 3.721 7.006 -4.935 157 HG13 VAL 24 3HG1 VAL 24 5.201 6.543 -5.777 158 HG21 VAL 24 3HG2 VAL 24 5.261 5.921 -2.105 159 HG22 VAL 24 1HG2 VAL 24 5.412 7.625 -1.675 160 HG23 VAL 24 2HG2 VAL 24 3.907 7.020 -2.368 161 H ASP 25 H ASP 25 7.462 9.132 -4.874 162 HA ASP 25 HA ASP 25 7.288 8.864 -7.562 163 HB2 ASP 25 1HB ASP 25 9.465 10.418 -6.147 164 HB3 ASP 25 2HB ASP 25 8.880 10.704 -7.783 165 H ASN 26 H ASN 26 10.076 7.973 -5.574 166 HA ASN 26 HA ASN 26 11.820 7.292 -7.666 167 HB2 ASN 26 1HB ASN 26 12.780 7.546 -5.521 168 HB3 ASN 26 2HB ASN 26 11.642 6.419 -4.788 169 HD21 ASN 26 1HD2 ASN 26 12.036 4.254 -4.871 170 HD22 ASN 26 2HD2 ASN 26 13.508 3.577 -5.472 171 H ILE 27 H ILE 27 9.588 5.279 -5.766 172 HA ILE 27 HA ILE 27 10.177 2.852 -7.074 173 HB ILE 27 HB ILE 27 7.692 3.721 -5.599 174 HG12 ILE 27 1HG1 ILE 27 9.871 1.830 -4.711 175 HG13 ILE 27 2HG1 ILE 27 9.911 3.556 -4.368 176 HG21 ILE 27 1HG2 ILE 27 6.686 1.905 -6.390 177 HG22 ILE 27 2HG2 ILE 27 8.149 1.407 -7.237 178 HG23 ILE 27 3HG2 ILE 27 7.897 0.930 -5.558 179 HD11 ILE 27 3HD1 ILE 27 7.438 2.907 -3.479 180 HD12 ILE 27 1HD1 ILE 27 8.328 1.423 -3.140 181 HD13 ILE 27 2HD1 ILE 27 8.887 2.958 -2.475 182 HA PRO 28 HA PRO 28 8.209 3.647 -10.975 183 HB2 PRO 28 1HB PRO 28 8.493 1.138 -11.972 184 HB3 PRO 28 2HB PRO 28 9.828 2.293 -11.883 185 HG2 PRO 28 1HG PRO 28 9.155 0.031 -10.042 186 HG3 PRO 28 2HG PRO 28 10.737 0.530 -10.670 187 HD2 PRO 28 1HD PRO 28 9.892 1.168 -8.178 188 HD3 PRO 28 2HD PRO 28 10.955 2.227 -9.127 189 H LEU 29 H LEU 29 6.060 3.982 -10.489 190 HA LEU 29 HA LEU 29 4.398 1.583 -10.100 191 HB2 LEU 29 1HB LEU 29 4.103 4.422 -9.207 192 HB3 LEU 29 2HB LEU 29 2.680 3.397 -9.383 193 HG LEU 29 HG LEU 29 5.024 2.754 -7.598 194 HD11 LEU 29 1HD1 LEU 29 2.701 4.489 -7.207 195 HD12 LEU 29 2HD1 LEU 29 4.216 4.396 -6.310 196 HD13 LEU 29 3HD1 LEU 29 2.912 3.263 -5.957 197 HD21 LEU 29 3HD2 LEU 29 2.924 1.379 -6.630 198 HD22 LEU 29 1HD2 LEU 29 4.065 0.722 -7.804 199 HD23 LEU 29 2HD2 LEU 29 2.523 1.383 -8.349 200 H SER 30 H SER 30 3.674 0.936 -12.030 201 HA SER 30 HA SER 30 3.352 2.502 -14.309 202 HB2 SER 30 1HB SER 30 2.393 -0.181 -13.445 203 HB3 SER 30 2HB SER 30 1.603 0.551 -14.842 204 HG SER 30 HG SER 30 3.862 -0.740 -14.836 205 H ARG 31 H ARG 31 2.280 4.419 -13.735 206 HA ARG 31 HA ARG 31 -0.565 4.307 -14.012 207 HB2 ARG 31 1HB ARG 31 0.665 4.845 -11.344 208 HB3 ARG 31 2HB ARG 31 -0.767 5.756 -11.807 209 HG2 ARG 31 1HG ARG 31 -1.670 3.340 -12.393 210 HG3 ARG 31 2HG ARG 31 -0.465 2.872 -11.193 211 HD2 ARG 31 1HD ARG 31 -2.389 3.183 -9.925 212 HD3 ARG 31 2HD ARG 31 -1.524 4.707 -9.731 213 HE ARG 31 HE ARG 31 -3.225 5.773 -10.831 214 HH11 ARG 31 1HH1 ARG 31 -3.486 2.344 -11.371 215 HH12 ARG 31 2HH1 ARG 31 -5.030 2.452 -12.151 216 HH21 ARG 31 1HH2 ARG 31 -5.256 5.929 -11.856 217 HH22 ARG 31 2HH2 ARG 31 -6.035 4.492 -12.427 218 HA PRO 32 HA PRO 32 0.068 8.304 -15.707 219 HB2 PRO 32 1HB PRO 32 -2.302 9.517 -15.177 220 HB3 PRO 32 2HB PRO 32 -2.125 8.244 -16.390 221 HG2 PRO 32 1HG PRO 32 -3.133 8.053 -13.578 222 HG3 PRO 32 2HG PRO 32 -3.774 7.300 -15.050 223 HD2 PRO 32 1HD PRO 32 -2.241 5.951 -13.272 224 HD3 PRO 32 2HD PRO 32 -2.213 5.604 -15.013 225 H LYS 33 H LYS 33 -0.310 10.730 -15.151 226 HA LYS 33 HA LYS 33 0.735 11.144 -12.444 227 HB2 LYS 33 1HB LYS 33 1.202 13.496 -13.447 228 HB3 LYS 33 2HB LYS 33 2.213 12.141 -13.932 229 HG2 LYS 33 1HG LYS 33 -0.187 12.766 -15.568 230 HG3 LYS 33 2HG LYS 33 1.223 13.820 -15.695 231 HD2 LYS 33 1HD LYS 33 2.544 12.169 -16.599 232 HD3 LYS 33 2HD LYS 33 1.615 10.868 -15.850 233 HE2 LYS 33 1HE LYS 33 -0.252 11.381 -17.403 234 HE3 LYS 33 2HE LYS 33 0.778 12.573 -18.194 235 HZ1 LYS 33 3HZ LYS 33 1.217 9.642 -18.056 236 HZ2 LYS 33 1HZ LYS 33 2.364 10.737 -18.646 237 HZ3 LYS 33 2HZ LYS 33 0.878 10.563 -19.434 238 H ARG 34 H ARG 34 -1.847 10.635 -12.236 239 HA ARG 34 HA ARG 34 -3.373 13.110 -12.362 240 HB2 ARG 34 1HB ARG 34 -4.185 10.653 -12.882 241 HB3 ARG 34 2HB ARG 34 -4.442 10.600 -11.143 242 HG2 ARG 34 1HG ARG 34 -6.496 11.293 -11.861 243 HG3 ARG 34 2HG ARG 34 -5.714 12.847 -11.568 244 HD2 ARG 34 1HD ARG 34 -5.321 13.198 -13.864 245 HD3 ARG 34 2HD ARG 34 -5.666 11.515 -14.260 246 HE ARG 34 HE ARG 34 -7.924 11.990 -14.227 247 HH11 ARG 34 1HH1 ARG 34 -6.109 14.698 -13.007 248 HH12 ARG 34 2HH1 ARG 34 -7.459 15.785 -13.040 249 HH21 ARG 34 1HH2 ARG 34 -9.709 13.410 -14.274 250 HH22 ARG 34 2HH2 ARG 34 -9.506 15.050 -13.760 251 H ASN 35 H ASN 35 -4.490 13.961 -10.508 252 HA ASN 35 HA ASN 35 -3.064 14.710 -8.390 253 HB2 ASN 35 1HB ASN 35 -5.924 13.836 -7.985 254 HB3 ASN 35 2HB ASN 35 -5.070 15.154 -7.188 255 HD21 ASN 35 1HD2 ASN 35 -4.114 16.759 -8.875 256 HD22 ASN 35 2HD2 ASN 35 -5.235 17.288 -10.079 257 H LEU 36 H LEU 36 -2.374 13.967 -6.431 258 HA LEU 36 HA LEU 36 -2.101 11.144 -6.119 259 HB2 LEU 36 1HB LEU 36 -1.475 13.353 -4.165 260 HB3 LEU 36 2HB LEU 36 -0.912 11.686 -4.065 261 HG LEU 36 HG LEU 36 -0.206 13.393 -6.424 262 HD11 LEU 36 1HD1 LEU 36 1.550 13.217 -4.006 263 HD12 LEU 36 2HD1 LEU 36 0.348 14.497 -4.163 264 HD13 LEU 36 3HD1 LEU 36 1.629 14.340 -5.364 265 HD21 LEU 36 3HD2 LEU 36 1.266 11.760 -6.921 266 HD22 LEU 36 1HD2 LEU 36 0.187 10.772 -5.935 267 HD23 LEU 36 2HD2 LEU 36 1.656 11.447 -5.229 268 H SER 37 H SER 37 -4.499 13.366 -5.235 269 HA SER 37 HA SER 37 -5.401 12.191 -2.816 270 HB2 SER 37 1HB SER 37 -6.036 14.469 -3.442 271 HB3 SER 37 2HB SER 37 -6.906 13.857 -4.848 272 HG SER 37 HG SER 37 -8.539 13.726 -3.542 273 H ARG 38 H ARG 38 -6.361 11.786 -6.206 274 HA ARG 38 HA ARG 38 -8.217 9.663 -5.478 275 HB2 ARG 38 1HB ARG 38 -8.847 11.346 -7.187 276 HB3 ARG 38 2HB ARG 38 -7.531 10.775 -8.203 277 HG2 ARG 38 1HG ARG 38 -8.620 8.517 -8.181 278 HG3 ARG 38 2HG ARG 38 -10.002 9.273 -7.386 279 HD2 ARG 38 1HD ARG 38 -10.029 10.905 -9.337 280 HD3 ARG 38 2HD ARG 38 -8.912 9.800 -10.137 281 HE ARG 38 HE ARG 38 -10.657 8.371 -10.525 282 HH11 ARG 38 1HH1 ARG 38 -11.602 10.701 -8.117 283 HH12 ARG 38 2HH1 ARG 38 -13.262 10.207 -8.103 284 HH21 ARG 38 1HH2 ARG 38 -12.841 7.711 -10.515 285 HH22 ARG 38 2HH2 ARG 38 -13.966 8.506 -9.466 286 H ASP 39 H ASP 39 -5.283 10.094 -7.431 287 HA ASP 39 HA ASP 39 -4.918 7.611 -8.480 288 HB2 ASP 39 1HB ASP 39 -3.390 9.633 -8.679 289 HB3 ASP 39 2HB ASP 39 -2.667 9.124 -7.156 290 H PHE 40 H PHE 40 -4.180 8.614 -5.165 291 HA PHE 40 HA PHE 40 -3.301 5.949 -4.448 292 HB2 PHE 40 1HB PHE 40 -3.380 8.607 -3.106 293 HB3 PHE 40 2HB PHE 40 -3.377 7.175 -2.081 294 HD1 PHE 40 1HD PHE 40 -1.472 5.629 -2.115 295 HD2 PHE 40 2HD PHE 40 -1.443 9.266 -4.325 296 HE1 PHE 40 1HE PHE 40 0.970 5.457 -2.359 297 HE2 PHE 40 2HE PHE 40 0.999 9.100 -4.574 298 HZ PHE 40 HZ PHE 40 2.209 7.194 -3.590 299 H SER 41 H SER 41 -6.121 7.988 -4.055 300 HA SER 41 HA SER 41 -7.535 6.866 -2.044 301 HB2 SER 41 1HB SER 41 -8.530 8.652 -3.265 302 HB3 SER 41 2HB SER 41 -8.505 7.733 -4.770 303 HG SER 41 HG SER 41 -10.452 7.869 -3.005 304 H ASP 42 H ASP 42 -6.892 5.430 -5.174 305 HA ASP 42 HA ASP 42 -8.646 3.179 -4.697 306 HB2 ASP 42 1HB ASP 42 -7.528 2.328 -6.843 307 HB3 ASP 42 2HB ASP 42 -8.510 3.786 -6.969 308 H GLY 43 H GLY 43 -8.107 1.415 -3.600 309 HA2 GLY 43 1HA GLY 43 -5.518 1.069 -2.481 310 HA3 GLY 43 2HA GLY 43 -6.840 -0.087 -2.405 311 H VAL 44 H VAL 44 -6.938 0.041 -5.450 312 HA VAL 44 HA VAL 44 -5.556 -2.297 -6.004 313 HB VAL 44 HB VAL 44 -6.520 -0.093 -7.811 314 HG11 VAL 44 1HG1 VAL 44 -6.134 -1.814 -9.661 315 HG12 VAL 44 2HG1 VAL 44 -4.725 -0.937 -9.060 316 HG13 VAL 44 3HG1 VAL 44 -5.024 -2.594 -8.534 317 HG21 VAL 44 3HG2 VAL 44 -8.438 -1.168 -7.416 318 HG22 VAL 44 1HG2 VAL 44 -7.796 -2.453 -8.438 319 HG23 VAL 44 2HG2 VAL 44 -7.612 -2.545 -6.687 320 H LEU 45 H LEU 45 -4.347 0.877 -5.660 321 HA LEU 45 HA LEU 45 -1.875 0.238 -7.098 322 HB2 LEU 45 1HB LEU 45 -2.720 2.359 -7.697 323 HB3 LEU 45 2HB LEU 45 -3.026 2.794 -6.017 324 HG LEU 45 HG LEU 45 -0.512 2.773 -5.696 325 HD11 LEU 45 1HD1 LEU 45 -0.700 2.121 -8.553 326 HD12 LEU 45 2HD1 LEU 45 0.588 1.799 -7.393 327 HD13 LEU 45 3HD1 LEU 45 0.459 3.387 -8.147 328 HD21 LEU 45 3HD2 LEU 45 -2.034 4.794 -6.058 329 HD22 LEU 45 1HD2 LEU 45 -1.412 4.811 -7.709 330 HD23 LEU 45 2HD2 LEU 45 -0.307 5.013 -6.349 331 H VAL 46 H VAL 46 -2.978 1.408 -3.927 332 HA VAL 46 HA VAL 46 -0.629 1.627 -2.563 333 HB VAL 46 HB VAL 46 -3.164 0.375 -1.494 334 HG11 VAL 46 1HG1 VAL 46 -2.387 0.932 0.691 335 HG12 VAL 46 2HG1 VAL 46 -1.103 0.026 -0.112 336 HG13 VAL 46 3HG1 VAL 46 -0.984 1.779 0.040 337 HG21 VAL 46 3HG2 VAL 46 -2.424 3.206 -0.989 338 HG22 VAL 46 1HG2 VAL 46 -3.057 2.791 -2.582 339 HG23 VAL 46 2HG2 VAL 46 -4.015 2.461 -1.139 340 H ALA 47 H ALA 47 -2.333 -1.345 -3.389 341 HA ALA 47 HA ALA 47 -0.794 -3.122 -1.846 342 HB1 ALA 47 3HB ALA 47 -2.509 -3.429 -4.275 343 HB2 ALA 47 1HB ALA 47 -1.549 -4.787 -3.688 344 HB3 ALA 47 2HB ALA 47 -2.759 -4.044 -2.642 345 H GLU 48 H GLU 48 -0.420 -1.997 -5.191 346 HA GLU 48 HA GLU 48 1.679 -3.587 -6.008 347 HB2 GLU 48 1HB GLU 48 1.363 -0.652 -6.656 348 HB3 GLU 48 2HB GLU 48 2.223 -1.852 -7.610 349 HG2 GLU 48 1HG GLU 48 0.060 -3.048 -7.924 350 HG3 GLU 48 2HG GLU 48 -0.740 -1.693 -7.129 351 H VAL 49 H VAL 49 1.875 -0.447 -4.344 352 HA VAL 49 HA VAL 49 4.570 -0.060 -4.219 353 HB VAL 49 HB VAL 49 2.583 0.408 -1.992 354 HG11 VAL 49 1HG1 VAL 49 5.256 1.743 -2.356 355 HG12 VAL 49 2HG1 VAL 49 4.152 1.879 -0.986 356 HG13 VAL 49 3HG1 VAL 49 5.001 0.362 -1.290 357 HG21 VAL 49 3HG2 VAL 49 2.358 2.617 -2.853 358 HG22 VAL 49 1HG2 VAL 49 3.676 2.370 -3.999 359 HG23 VAL 49 2HG2 VAL 49 2.151 1.510 -4.210 360 H ILE 50 H ILE 50 2.646 -2.112 -2.052 361 HA ILE 50 HA ILE 50 4.732 -2.897 -0.352 362 HB ILE 50 HB ILE 50 2.306 -4.531 -1.104 363 HG12 ILE 50 1HG1 ILE 50 2.611 -2.599 1.201 364 HG13 ILE 50 2HG1 ILE 50 1.819 -2.186 -0.316 365 HG21 ILE 50 1HG2 ILE 50 3.188 -6.058 0.247 366 HG22 ILE 50 2HG2 ILE 50 4.510 -4.979 0.689 367 HG23 ILE 50 3HG2 ILE 50 2.988 -4.918 1.577 368 HD11 ILE 50 3HD1 ILE 50 0.900 -3.917 1.899 369 HD12 ILE 50 1HD1 ILE 50 0.003 -2.773 0.901 370 HD13 ILE 50 2HD1 ILE 50 0.425 -4.362 0.261 371 H LYS 51 H LYS 51 3.654 -4.148 -3.454 372 HA LYS 51 HA LYS 51 4.855 -6.593 -3.603 373 HB2 LYS 51 1HB LYS 51 3.536 -5.265 -5.391 374 HB3 LYS 51 2HB LYS 51 5.108 -4.650 -5.884 375 HG2 LYS 51 1HG LYS 51 4.891 -6.436 -7.289 376 HG3 LYS 51 2HG LYS 51 5.741 -7.192 -5.939 377 HD2 LYS 51 1HD LYS 51 3.367 -7.727 -5.057 378 HD3 LYS 51 2HD LYS 51 2.853 -7.402 -6.715 379 HE2 LYS 51 1HE LYS 51 5.108 -9.291 -6.143 380 HE3 LYS 51 2HE LYS 51 3.433 -9.827 -6.032 381 HZ1 LYS 51 3HZ LYS 51 3.640 -10.225 -8.204 382 HZ2 LYS 51 1HZ LYS 51 5.030 -9.273 -8.359 383 HZ3 LYS 51 2HZ LYS 51 3.502 -8.552 -8.413 384 H PHE 52 H PHE 52 6.429 -3.515 -4.485 385 HA PHE 52 HA PHE 52 8.932 -4.389 -5.113 386 HB2 PHE 52 1HB PHE 52 8.160 -2.016 -5.175 387 HB3 PHE 52 2HB PHE 52 8.362 -1.943 -3.427 388 HD1 PHE 52 2HD PHE 52 10.740 -2.612 -2.554 389 HD2 PHE 52 1HD PHE 52 9.892 -1.347 -6.529 390 HE1 PHE 52 2HE PHE 52 13.100 -1.984 -2.854 391 HE2 PHE 52 1HE PHE 52 12.251 -0.718 -6.835 392 HZ PHE 52 HZ PHE 52 13.858 -1.034 -4.996 393 H TYR 53 H TYR 53 7.718 -3.708 -1.846 394 HA TYR 53 HA TYR 53 10.156 -4.492 -0.569 395 HB2 TYR 53 1HB TYR 53 7.375 -4.014 0.516 396 HB3 TYR 53 2HB TYR 53 8.774 -4.369 1.523 397 HD1 TYR 53 1HD TYR 53 10.610 -2.734 1.716 398 HD2 TYR 53 2HD TYR 53 7.064 -1.846 -0.460 399 HE1 TYR 53 1HE TYR 53 11.183 -0.343 1.772 400 HE2 TYR 53 2HE TYR 53 7.627 0.548 -0.412 401 HH TYR 53 HH TYR 53 10.333 1.761 1.460 402 H PHE 54 H PHE 54 6.893 -5.904 -0.274 403 HA PHE 54 HA PHE 54 8.155 -8.565 -0.207 404 HB2 PHE 54 1HB PHE 54 5.677 -7.821 1.346 405 HB3 PHE 54 2HB PHE 54 6.646 -9.283 1.495 406 HD1 PHE 54 1HD PHE 54 9.203 -8.794 2.083 407 HD2 PHE 54 2HD PHE 54 5.930 -6.218 2.958 408 HE1 PHE 54 1HE PHE 54 10.516 -7.741 3.877 409 HE2 PHE 54 2HE PHE 54 7.238 -5.161 4.754 410 HZ PHE 54 HZ PHE 54 9.534 -5.921 5.215 411 HA PRO 55 HA PRO 55 5.354 -8.898 -3.723 412 HB2 PRO 55 1HB PRO 55 6.462 -11.189 -4.668 413 HB3 PRO 55 2HB PRO 55 7.165 -9.592 -4.955 414 HG2 PRO 55 1HG PRO 55 7.921 -11.657 -2.923 415 HG3 PRO 55 2HG PRO 55 8.969 -10.653 -3.942 416 HD2 PRO 55 1HD PRO 55 8.476 -10.075 -1.343 417 HD3 PRO 55 2HD PRO 55 8.763 -8.818 -2.563 418 H LYS 56 H LYS 56 6.336 -11.718 -1.770 419 HA LYS 56 HA LYS 56 4.152 -13.348 -2.310 420 HB2 LYS 56 1HB LYS 56 5.833 -13.139 0.192 421 HB3 LYS 56 2HB LYS 56 4.680 -14.433 -0.111 422 HG2 LYS 56 1HG LYS 56 5.948 -15.292 -1.890 423 HG3 LYS 56 2HG LYS 56 6.933 -13.831 -2.001 424 HD2 LYS 56 1HD LYS 56 8.191 -15.625 -0.949 425 HD3 LYS 56 2HD LYS 56 7.891 -14.326 0.207 426 HE2 LYS 56 1HE LYS 56 5.841 -15.700 0.913 427 HE3 LYS 56 2HE LYS 56 6.596 -17.029 0.035 428 HZ1 LYS 56 3HZ LYS 56 8.545 -16.806 1.444 429 HZ2 LYS 56 1HZ LYS 56 7.164 -17.079 2.381 430 HZ3 LYS 56 2HZ LYS 56 7.825 -15.526 2.283 431 H MET 57 H MET 57 4.567 -10.920 0.243 432 HA MET 57 HA MET 57 2.197 -11.344 1.629 433 HB2 MET 57 1HB MET 57 3.761 -8.807 1.156 434 HB3 MET 57 2HB MET 57 2.400 -8.908 2.265 435 HG2 MET 57 1HG MET 57 4.732 -10.763 2.520 436 HG3 MET 57 2HG MET 57 4.783 -9.135 3.194 437 HE1 MET 57 3HE MET 57 3.800 -8.364 5.186 438 HE2 MET 57 1HE MET 57 2.113 -8.458 4.677 439 HE3 MET 57 2HE MET 57 2.612 -9.169 6.212 440 H VAL 58 H VAL 58 2.809 -9.479 -1.298 441 HA VAL 58 HA VAL 58 0.201 -8.332 -1.441 442 HB VAL 58 HB VAL 58 2.372 -8.651 -3.509 443 HG11 VAL 58 1HG1 VAL 58 0.782 -8.334 -5.046 444 HG12 VAL 58 2HG1 VAL 58 -0.427 -7.907 -3.833 445 HG13 VAL 58 3HG1 VAL 58 0.692 -6.683 -4.434 446 HG21 VAL 58 3HG2 VAL 58 3.193 -6.991 -2.214 447 HG22 VAL 58 1HG2 VAL 58 2.058 -6.002 -3.134 448 HG23 VAL 58 2HG2 VAL 58 1.615 -6.596 -1.533 449 H GLU 59 H GLU 59 -1.632 -9.244 -2.086 450 HA GLU 59 HA GLU 59 -1.502 -11.581 -3.867 451 HB2 GLU 59 1HB GLU 59 -3.047 -11.274 -1.305 452 HB3 GLU 59 2HB GLU 59 -3.565 -12.399 -2.552 453 HG2 GLU 59 1HG GLU 59 -0.768 -12.483 -1.505 454 HG3 GLU 59 2HG GLU 59 -2.086 -13.244 -0.615 455 H MET 60 H MET 60 -1.878 -9.122 -4.908 456 HA MET 60 HA MET 60 -4.457 -8.096 -5.018 457 HB2 MET 60 1HB MET 60 -2.123 -8.057 -6.883 458 HB3 MET 60 2HB MET 60 -3.673 -7.453 -7.454 459 HG2 MET 60 1HG MET 60 -3.580 -6.099 -5.193 460 HG3 MET 60 2HG MET 60 -1.848 -6.355 -5.391 461 HE1 MET 60 3HE MET 60 -4.906 -3.973 -7.013 462 HE2 MET 60 1HE MET 60 -4.529 -4.625 -8.608 463 HE3 MET 60 2HE MET 60 -4.965 -5.714 -7.291 464 H HIS 61 H HIS 61 -3.232 -11.032 -6.271 465 HA HIS 61 HA HIS 61 -4.644 -11.592 -8.520 466 HB2 HIS 61 1HB HIS 61 -3.124 -13.199 -7.486 467 HB3 HIS 61 2HB HIS 61 -4.251 -13.436 -6.153 468 HD1 HIS 61 1HD HIS 61 -4.181 -13.905 -9.926 469 HD2 HIS 61 2HD HIS 61 -5.948 -15.513 -6.527 470 HE1 HIS 61 1HE HIS 61 -5.481 -15.904 -10.726 471 HE2 HIS 61 2HE HIS 61 -6.610 -16.810 -8.664 472 H ASN 62 H ASN 62 -5.932 -11.042 -5.366 473 HA ASN 62 HA ASN 62 -8.565 -12.059 -6.146 474 HB2 ASN 62 1HB ASN 62 -7.643 -10.981 -3.472 475 HB3 ASN 62 2HB ASN 62 -9.180 -11.775 -3.802 476 HD21 ASN 62 1HD2 ASN 62 -6.812 -12.396 -2.042 477 HD22 ASN 62 2HD2 ASN 62 -6.431 -14.040 -2.411 478 H TYR 63 H TYR 63 -6.933 -9.092 -5.143 479 HA TYR 63 HA TYR 63 -9.280 -7.473 -5.217 480 HB2 TYR 63 1HB TYR 63 -6.343 -6.761 -5.247 481 HB3 TYR 63 2HB TYR 63 -7.637 -5.573 -5.151 482 HD1 TYR 63 2HD TYR 63 -9.240 -5.718 -3.167 483 HD2 TYR 63 1HD TYR 63 -5.535 -7.805 -3.311 484 HE1 TYR 63 2HE TYR 63 -9.291 -5.965 -0.721 485 HE2 TYR 63 1HE TYR 63 -5.576 -8.059 -0.864 486 HH TYR 63 HH TYR 63 -6.802 -7.810 0.992 487 H VAL 64 H VAL 64 -10.034 -6.119 -6.800 488 HA VAL 64 HA VAL 64 -8.627 -6.048 -9.367 489 HB VAL 64 HB VAL 64 -11.522 -6.857 -9.059 490 HG11 VAL 64 1HG1 VAL 64 -10.021 -6.656 -11.650 491 HG12 VAL 64 2HG1 VAL 64 -11.762 -6.775 -11.384 492 HG13 VAL 64 3HG1 VAL 64 -10.907 -5.284 -10.987 493 HG21 VAL 64 3HG2 VAL 64 -9.743 -8.600 -8.649 494 HG22 VAL 64 1HG2 VAL 64 -10.894 -8.969 -9.933 495 HG23 VAL 64 2HG2 VAL 64 -9.275 -8.400 -10.338 496 HA PRO 65 HA PRO 65 -9.780 -1.795 -9.147 497 HB2 PRO 65 1HB PRO 65 -9.296 -1.130 -11.734 498 HB3 PRO 65 2HB PRO 65 -8.007 -1.407 -10.556 499 HG2 PRO 65 1HG PRO 65 -9.095 -3.256 -12.645 500 HG3 PRO 65 2HG PRO 65 -7.409 -2.955 -12.185 501 HD2 PRO 65 1HD PRO 65 -8.789 -5.121 -11.327 502 HD3 PRO 65 2HD PRO 65 -7.532 -4.340 -10.346 503 H ALA 66 H ALA 66 -11.910 -1.428 -8.880 504 HA ALA 66 HA ALA 66 -13.669 -1.800 -11.218 505 HB1 ALA 66 3HB ALA 66 -14.822 -1.701 -8.482 506 HB2 ALA 66 1HB ALA 66 -15.369 -2.578 -9.911 507 HB3 ALA 66 2HB ALA 66 -13.991 -3.173 -8.985 508 H ASN 67 H ASN 67 -14.513 -0.005 -12.041 509 HA ASN 67 HA ASN 67 -13.930 2.556 -11.147 510 HB2 ASN 67 1HB ASN 67 -16.007 1.454 -13.012 511 HB3 ASN 67 2HB ASN 67 -16.012 3.168 -12.604 512 HD21 ASN 67 1HD2 ASN 67 -14.400 4.487 -13.369 513 HD22 ASN 67 2HD2 ASN 67 -13.267 3.985 -14.572 514 H SER 68 H SER 68 -16.588 0.438 -10.324 515 HA SER 68 HA SER 68 -18.292 2.337 -9.139 516 HB2 SER 68 1HB SER 68 -17.968 -0.599 -8.472 517 HB3 SER 68 2HB SER 68 -19.335 0.414 -8.007 518 HG SER 68 HG SER 68 -20.095 -0.333 -9.839 519 H LEU 69 H LEU 69 -18.456 3.145 -7.095 520 HA LEU 69 HA LEU 69 -16.088 3.276 -5.531 521 HB2 LEU 69 1HB LEU 69 -17.891 5.041 -5.754 522 HB3 LEU 69 2HB LEU 69 -18.852 4.066 -4.645 523 HG LEU 69 HG LEU 69 -17.816 5.876 -3.442 524 HD11 LEU 69 1HD1 LEU 69 -17.986 3.556 -2.436 525 HD12 LEU 69 2HD1 LEU 69 -16.845 4.663 -1.673 526 HD13 LEU 69 3HD1 LEU 69 -16.258 3.400 -2.754 527 HD21 LEU 69 3HD2 LEU 69 -15.456 6.231 -3.350 528 HD22 LEU 69 1HD2 LEU 69 -15.929 6.182 -5.048 529 HD23 LEU 69 2HD2 LEU 69 -15.145 4.785 -4.311 530 H GLN 70 H GLN 70 -19.312 1.946 -4.772 531 HA GLN 70 HA GLN 70 -19.018 0.870 -2.353 532 HB2 GLN 70 1HB GLN 70 -20.141 -0.606 -4.741 533 HB3 GLN 70 2HB GLN 70 -20.424 -1.045 -3.061 534 HG2 GLN 70 1HG GLN 70 -21.558 1.062 -2.675 535 HG3 GLN 70 2HG GLN 70 -21.224 1.563 -4.332 536 HE21 GLN 70 1HE2 GLN 70 -23.416 1.804 -4.777 537 HE22 GLN 70 2HE2 GLN 70 -24.460 0.446 -5.003 538 H GLN 71 H GLN 71 -17.681 -0.584 -5.300 539 HA GLN 71 HA GLN 71 -16.602 -2.886 -4.155 540 HB2 GLN 71 1HB GLN 71 -16.791 -2.161 -6.644 541 HB3 GLN 71 2HB GLN 71 -15.212 -1.433 -6.383 542 HG2 GLN 71 1HG GLN 71 -15.185 -3.729 -7.369 543 HG3 GLN 71 2HG GLN 71 -14.221 -3.525 -5.907 544 HE21 GLN 71 1HE2 GLN 71 -14.296 -5.768 -5.555 545 HE22 GLN 71 2HE2 GLN 71 -15.711 -6.533 -4.924 546 H LYS 72 H LYS 72 -14.984 0.220 -4.821 547 HA LYS 72 HA LYS 72 -12.482 -0.230 -3.897 548 HB2 LYS 72 1HB LYS 72 -14.158 2.218 -3.312 549 HB3 LYS 72 2HB LYS 72 -12.405 2.139 -3.191 550 HG2 LYS 72 1HG LYS 72 -13.656 1.383 -5.774 551 HG3 LYS 72 2HG LYS 72 -13.617 3.091 -5.332 552 HD2 LYS 72 1HD LYS 72 -11.641 2.763 -6.542 553 HD3 LYS 72 2HD LYS 72 -11.127 2.714 -4.853 554 HE2 LYS 72 1HE LYS 72 -10.741 0.447 -4.898 555 HE3 LYS 72 2HE LYS 72 -11.885 0.170 -6.211 556 HZ1 LYS 72 3HZ LYS 72 -10.296 0.441 -7.727 557 HZ2 LYS 72 1HZ LYS 72 -9.184 0.296 -6.459 558 HZ3 LYS 72 2HZ LYS 72 -9.676 1.828 -6.982 559 H LEU 73 H LEU 73 -15.097 0.972 -1.783 560 HA LEU 73 HA LEU 73 -13.765 0.780 0.629 561 HB2 LEU 73 1HB LEU 73 -16.627 0.671 -0.175 562 HB3 LEU 73 2HB LEU 73 -16.209 0.254 1.485 563 HG LEU 73 HG LEU 73 -15.589 2.881 0.134 564 HD11 LEU 73 1HD1 LEU 73 -17.882 1.908 1.723 565 HD12 LEU 73 2HD1 LEU 73 -17.806 3.156 0.480 566 HD13 LEU 73 3HD1 LEU 73 -17.264 3.511 2.120 567 HD21 LEU 73 3HD2 LEU 73 -15.462 3.101 2.919 568 HD22 LEU 73 1HD2 LEU 73 -14.120 3.160 1.776 569 HD23 LEU 73 2HD2 LEU 73 -14.579 1.627 2.518 570 H SER 74 H SER 74 -15.780 -1.687 -0.953 571 HA SER 74 HA SER 74 -15.644 -3.668 0.973 572 HB2 SER 74 1HB SER 74 -16.946 -3.610 -1.266 573 HB3 SER 74 2HB SER 74 -15.493 -4.329 -1.959 574 HG SER 74 HG SER 74 -15.716 -5.993 -0.338 575 H ASN 75 H ASN 75 -13.341 -2.898 -1.596 576 HA ASN 75 HA ASN 75 -11.617 -5.095 -1.148 577 HB2 ASN 75 1HB ASN 75 -11.175 -2.402 -2.441 578 HB3 ASN 75 2HB ASN 75 -9.933 -3.649 -2.380 579 HD21 ASN 75 1HD2 ASN 75 -10.596 -2.830 -4.791 580 HD22 ASN 75 2HD2 ASN 75 -11.580 -3.985 -5.616 581 H TRP 76 H TRP 76 -11.277 -1.667 -0.220 582 HA TRP 76 HA TRP 76 -8.966 -1.755 1.218 583 HB2 TRP 76 1HB TRP 76 -11.458 -0.145 1.458 584 HB3 TRP 76 2HB TRP 76 -10.301 -0.053 2.784 585 HD1 TRP 76 HD TRP 76 -10.882 1.134 -0.748 586 HE1 TRP 76 1HE TRP 76 -8.967 2.704 -1.450 587 HE3 TRP 76 3HE TRP 76 -7.693 0.323 3.165 588 HZ2 TRP 76 2HZ TRP 76 -6.439 3.494 -0.474 589 HZ3 TRP 76 3HZ TRP 76 -5.546 1.525 3.205 590 HH2 TRP 76 HH TRP 76 -4.934 3.076 1.422 591 H GLY 77 H GLY 77 -12.216 -2.442 2.515 592 HA2 GLY 77 1HA GLY 77 -11.582 -2.992 5.133 593 HA3 GLY 77 2HA GLY 77 -12.869 -3.801 4.252 594 H HIS 78 H HIS 78 -11.263 -5.148 2.349 595 HA HIS 78 HA HIS 78 -10.541 -7.439 3.869 596 HB2 HIS 78 1HB HIS 78 -10.051 -6.782 0.957 597 HB3 HIS 78 2HB HIS 78 -9.800 -8.365 1.687 598 HD1 HIS 78 1HD HIS 78 -11.860 -7.693 -0.637 599 HD2 HIS 78 2HD HIS 78 -12.763 -8.160 3.392 600 HE1 HIS 78 1HE HIS 78 -14.295 -8.318 -0.561 601 HE2 HIS 78 2HE HIS 78 -14.839 -8.513 1.891 602 H LEU 79 H LEU 79 -8.671 -4.987 2.119 603 HA LEU 79 HA LEU 79 -6.131 -6.094 2.504 604 HB2 LEU 79 1HB LEU 79 -6.965 -4.052 1.091 605 HB3 LEU 79 2HB LEU 79 -6.534 -3.137 2.534 606 HG LEU 79 HG LEU 79 -4.232 -4.341 2.267 607 HD11 LEU 79 1HD1 LEU 79 -3.705 -5.292 0.290 608 HD12 LEU 79 2HD1 LEU 79 -4.761 -4.223 -0.633 609 HD13 LEU 79 3HD1 LEU 79 -5.440 -5.602 0.230 610 HD21 LEU 79 3HD2 LEU 79 -5.314 -1.872 1.401 611 HD22 LEU 79 1HD2 LEU 79 -4.195 -2.433 0.159 612 HD23 LEU 79 2HD2 LEU 79 -3.644 -2.250 1.824 613 H ASN 80 H ASN 80 -8.274 -4.693 4.742 614 HA ASN 80 HA ASN 80 -6.280 -3.782 6.607 615 HB2 ASN 80 1HB ASN 80 -8.546 -2.766 6.470 616 HB3 ASN 80 2HB ASN 80 -9.231 -4.278 7.058 617 HD21 ASN 80 1HD2 ASN 80 -10.003 -2.494 8.607 618 HD22 ASN 80 2HD2 ASN 80 -9.053 -2.292 10.035 619 H ARG 81 H ARG 81 -8.296 -6.640 6.189 620 HA ARG 81 HA ARG 81 -7.057 -7.858 8.556 621 HB2 ARG 81 1HB ARG 81 -9.551 -8.479 6.993 622 HB3 ARG 81 2HB ARG 81 -8.844 -9.659 8.088 623 HG2 ARG 81 1HG ARG 81 -8.940 -7.679 9.798 624 HG3 ARG 81 2HG ARG 81 -10.175 -7.069 8.694 625 HD2 ARG 81 1HD ARG 81 -10.158 -9.715 10.136 626 HD3 ARG 81 2HD ARG 81 -11.246 -8.356 10.415 627 HE ARG 81 HE ARG 81 -11.449 -9.209 7.735 628 HH11 ARG 81 1HH1 ARG 81 -12.294 -10.186 10.968 629 HH12 ARG 81 2HH1 ARG 81 -13.677 -11.103 10.469 630 HH21 ARG 81 1HH2 ARG 81 -13.266 -10.414 7.066 631 HH22 ARG 81 2HH2 ARG 81 -14.228 -11.233 8.250 632 H LYS 82 H LYS 82 -6.332 -7.572 5.441 633 HA LYS 82 HA LYS 82 -5.367 -10.346 5.192 634 HB2 LYS 82 1HB LYS 82 -6.166 -8.359 3.066 635 HB3 LYS 82 2HB LYS 82 -5.264 -9.826 2.710 636 HG2 LYS 82 1HG LYS 82 -7.833 -10.011 4.213 637 HG3 LYS 82 2HG LYS 82 -7.854 -9.780 2.463 638 HD2 LYS 82 1HD LYS 82 -6.251 -11.768 2.360 639 HD3 LYS 82 2HD LYS 82 -6.706 -12.067 4.039 640 HE2 LYS 82 1HE LYS 82 -9.141 -11.882 3.074 641 HE3 LYS 82 2HE LYS 82 -8.342 -12.279 1.554 642 HZ1 LYS 82 3HZ LYS 82 -9.243 -14.135 3.156 643 HZ2 LYS 82 1HZ LYS 82 -7.734 -13.928 3.892 644 HZ3 LYS 82 2HZ LYS 82 -7.827 -14.362 2.260 645 H VAL 83 H VAL 83 -4.575 -6.941 4.888 646 HA VAL 83 HA VAL 83 -1.740 -7.665 4.531 647 HB VAL 83 HB VAL 83 -3.124 -5.063 3.864 648 HG11 VAL 83 1HG1 VAL 83 -0.352 -5.703 2.994 649 HG12 VAL 83 2HG1 VAL 83 -1.107 -4.139 3.308 650 HG13 VAL 83 3HG1 VAL 83 -0.608 -5.166 4.653 651 HG21 VAL 83 3HG2 VAL 83 -2.371 -7.459 2.279 652 HG22 VAL 83 1HG2 VAL 83 -3.756 -6.380 2.114 653 HG23 VAL 83 2HG2 VAL 83 -2.171 -5.877 1.526 654 H LEU 84 H LEU 84 -3.360 -4.743 5.744 655 HA LEU 84 HA LEU 84 -1.514 -3.917 7.551 656 HB2 LEU 84 1HB LEU 84 -4.482 -3.874 8.064 657 HB3 LEU 84 2HB LEU 84 -3.275 -2.789 8.751 658 HG LEU 84 HG LEU 84 -3.877 -2.917 5.803 659 HD11 LEU 84 1HD1 LEU 84 -5.656 -1.591 6.024 660 HD12 LEU 84 2HD1 LEU 84 -4.875 -0.600 7.255 661 HD13 LEU 84 3HD1 LEU 84 -5.676 -2.103 7.712 662 HD21 LEU 84 3HD2 LEU 84 -2.039 -1.657 5.736 663 HD22 LEU 84 1HD2 LEU 84 -2.007 -1.472 7.490 664 HD23 LEU 84 2HD2 LEU 84 -3.001 -0.395 6.509 665 H LYS 85 H LYS 85 -4.008 -6.367 8.101 666 HA LYS 85 HA LYS 85 -3.807 -6.843 10.772 667 HB2 LYS 85 1HB LYS 85 -5.091 -8.096 8.817 668 HB3 LYS 85 2HB LYS 85 -3.756 -9.229 8.981 669 HG2 LYS 85 1HG LYS 85 -5.274 -8.373 11.403 670 HG3 LYS 85 2HG LYS 85 -5.949 -9.595 10.323 671 HD2 LYS 85 1HD LYS 85 -3.701 -10.786 10.551 672 HD3 LYS 85 2HD LYS 85 -3.394 -9.696 11.905 673 HE2 LYS 85 1HE LYS 85 -5.828 -11.459 11.690 674 HE3 LYS 85 2HE LYS 85 -4.351 -11.931 12.529 675 HZ1 LYS 85 3HZ LYS 85 -4.844 -9.546 13.630 676 HZ2 LYS 85 1HZ LYS 85 -5.377 -11.014 14.282 677 HZ3 LYS 85 2HZ LYS 85 -6.423 -10.078 13.337 678 H ARG 86 H ARG 86 -1.637 -8.120 8.265 679 HA ARG 86 HA ARG 86 0.046 -9.472 10.143 680 HB2 ARG 86 1HB ARG 86 0.693 -8.700 7.295 681 HB3 ARG 86 2HB ARG 86 1.471 -9.951 8.257 682 HG2 ARG 86 1HG ARG 86 -1.455 -10.162 7.801 683 HG3 ARG 86 2HG ARG 86 -0.369 -10.517 6.456 684 HD2 ARG 86 1HD ARG 86 -0.315 -11.806 9.182 685 HD3 ARG 86 2HD ARG 86 -0.910 -12.543 7.695 686 HE ARG 86 HE ARG 86 1.778 -11.689 7.399 687 HH11 ARG 86 1HH1 ARG 86 -0.186 -14.179 8.833 688 HH12 ARG 86 2HH1 ARG 86 1.066 -15.376 8.787 689 HH21 ARG 86 1HH2 ARG 86 3.435 -13.256 7.332 690 HH22 ARG 86 2HH2 ARG 86 3.126 -14.849 7.934 691 H LEU 87 H LEU 87 -0.196 -6.256 8.990 692 HA LEU 87 HA LEU 87 2.537 -5.599 9.798 693 HB2 LEU 87 1HB LEU 87 0.390 -3.942 8.483 694 HB3 LEU 87 2HB LEU 87 1.998 -3.351 8.897 695 HG LEU 87 HG LEU 87 1.530 -5.640 6.997 696 HD11 LEU 87 1HD1 LEU 87 1.775 -2.694 6.425 697 HD12 LEU 87 2HD1 LEU 87 0.427 -3.758 6.026 698 HD13 LEU 87 3HD1 LEU 87 1.979 -3.958 5.212 699 HD21 LEU 87 3HD2 LEU 87 3.753 -5.695 6.728 700 HD22 LEU 87 1HD2 LEU 87 3.806 -4.836 8.268 701 HD23 LEU 87 2HD2 LEU 87 3.897 -3.936 6.754 702 H ASN 88 H ASN 88 0.199 -6.296 11.614 703 HA ASN 88 HA ASN 88 -0.798 -5.552 13.537 704 HB2 ASN 88 1HB ASN 88 1.781 -5.734 13.961 705 HB3 ASN 88 2HB ASN 88 1.699 -3.978 14.066 706 HD21 ASN 88 1HD2 ASN 88 0.142 -6.899 15.322 707 HD22 ASN 88 2HD2 ASN 88 -0.138 -6.276 16.909 708 H PHE 89 H PHE 89 -1.244 -3.868 11.207 709 HA PHE 89 HA PHE 89 -1.530 -1.237 12.499 710 HB2 PHE 89 1HB PHE 89 -0.199 -1.547 10.278 711 HB3 PHE 89 2HB PHE 89 -1.793 -1.663 9.539 712 HD1 PHE 89 2HD PHE 89 -3.413 0.260 9.894 713 HD2 PHE 89 1HD PHE 89 0.745 0.525 10.762 714 HE1 PHE 89 2HE PHE 89 -3.558 2.715 9.818 715 HE2 PHE 89 1HE PHE 89 0.607 2.981 10.689 716 HZ PHE 89 HZ PHE 89 -1.546 4.079 10.215 717 H SER 90 H SER 90 -3.509 -0.447 12.862 718 HA SER 90 HA SER 90 -5.799 -1.852 11.648 719 HB2 SER 90 1HB SER 90 -7.045 -1.554 13.693 720 HB3 SER 90 2HB SER 90 -5.500 -2.302 14.098 721 HG SER 90 HG SER 90 -6.173 -0.486 15.453 722 H VAL 91 H VAL 91 -7.645 -0.609 11.153 723 HA VAL 91 HA VAL 91 -7.521 2.276 11.438 724 HB VAL 91 HB VAL 91 -7.308 0.903 8.775 725 HG11 VAL 91 1HG1 VAL 91 -8.969 2.233 8.049 726 HG12 VAL 91 2HG1 VAL 91 -8.859 3.306 9.446 727 HG13 VAL 91 3HG1 VAL 91 -7.737 3.494 8.097 728 HG21 VAL 91 3HG2 VAL 91 -5.671 2.790 8.421 729 HG22 VAL 91 1HG2 VAL 91 -5.874 3.177 10.130 730 HG23 VAL 91 2HG2 VAL 91 -5.219 1.611 9.651 731 HA PRO 92 HA PRO 92 -11.856 1.473 11.876 732 HB2 PRO 92 1HB PRO 92 -12.655 4.063 12.035 733 HB3 PRO 92 2HB PRO 92 -11.862 3.219 13.370 734 HG2 PRO 92 1HG PRO 92 -10.694 5.110 11.365 735 HG3 PRO 92 2HG PRO 92 -10.415 5.021 13.113 736 HD2 PRO 92 1HD PRO 92 -8.678 3.997 11.307 737 HD3 PRO 92 2HD PRO 92 -8.918 3.280 12.913 738 H ASP 93 H ASP 93 -13.935 2.400 10.870 739 HA ASP 93 HA ASP 93 -13.650 2.242 8.009 740 HB2 ASP 93 1HB ASP 93 -16.101 2.267 7.975 741 HB3 ASP 93 2HB ASP 93 -15.502 1.103 9.153 742 H ASP 94 H ASP 94 -14.625 4.695 10.361 743 HA ASP 94 HA ASP 94 -15.542 6.688 8.702 744 HB2 ASP 94 1HB ASP 94 -14.558 8.278 10.450 745 HB3 ASP 94 2HB ASP 94 -15.702 7.068 11.024 746 H VAL 95 H VAL 95 -12.230 5.707 9.320 747 HA VAL 95 HA VAL 95 -11.074 7.934 7.910 748 HB VAL 95 HB VAL 95 -9.887 5.360 8.942 749 HG11 VAL 95 1HG1 VAL 95 -7.710 6.193 8.357 750 HG12 VAL 95 2HG1 VAL 95 -8.712 6.164 6.905 751 HG13 VAL 95 3HG1 VAL 95 -8.404 7.690 7.735 752 HG21 VAL 95 3HG2 VAL 95 -8.988 7.979 9.936 753 HG22 VAL 95 1HG2 VAL 95 -10.654 7.552 10.327 754 HG23 VAL 95 2HG2 VAL 95 -9.333 6.489 10.813 755 H MET 96 H MET 96 -11.879 4.583 7.192 756 HA MET 96 HA MET 96 -10.550 4.447 4.695 757 HB2 MET 96 1HB MET 96 -12.824 2.865 5.886 758 HB3 MET 96 2HB MET 96 -12.161 2.515 4.295 759 HG2 MET 96 1HG MET 96 -9.891 2.477 5.644 760 HG3 MET 96 2HG MET 96 -10.976 2.103 6.981 761 HE1 MET 96 3HE MET 96 -10.376 -0.890 7.330 762 HE2 MET 96 1HE MET 96 -11.700 0.238 7.619 763 HE3 MET 96 2HE MET 96 -11.999 -1.266 6.748 764 H ARG 97 H ARG 97 -13.967 5.006 5.532 765 HA ARG 97 HA ARG 97 -15.111 5.247 3.081 766 HB2 ARG 97 1HB ARG 97 -15.561 6.720 5.647 767 HB3 ARG 97 2HB ARG 97 -16.451 7.206 4.211 768 HG2 ARG 97 1HG ARG 97 -17.330 4.929 3.994 769 HG3 ARG 97 2HG ARG 97 -16.456 4.464 5.455 770 HD2 ARG 97 1HD ARG 97 -18.558 4.915 6.288 771 HD3 ARG 97 2HD ARG 97 -17.737 6.456 6.529 772 HE ARG 97 HE ARG 97 -18.902 6.669 4.066 773 HH11 ARG 97 1HH1 ARG 97 -20.030 5.966 7.284 774 HH12 ARG 97 2HH1 ARG 97 -21.600 6.652 7.024 775 HH21 ARG 97 1HH2 ARG 97 -20.965 7.575 3.712 776 HH22 ARG 97 2HH2 ARG 97 -22.131 7.566 4.992 777 H LYS 98 H LYS 98 -13.295 7.786 4.773 778 HA LYS 98 HA LYS 98 -13.612 9.780 2.812 779 HB2 LYS 98 1HB LYS 98 -11.455 9.359 4.884 780 HB3 LYS 98 2HB LYS 98 -11.577 10.801 3.884 781 HG2 LYS 98 1HG LYS 98 -13.463 11.554 4.958 782 HG3 LYS 98 2HG LYS 98 -13.933 9.939 5.494 783 HD2 LYS 98 1HD LYS 98 -11.936 9.960 7.009 784 HD3 LYS 98 2HD LYS 98 -11.700 11.655 6.573 785 HE2 LYS 98 1HE LYS 98 -13.755 12.289 7.554 786 HE3 LYS 98 2HE LYS 98 -14.291 10.616 7.692 787 HZ1 LYS 98 3HZ LYS 98 -12.279 12.046 9.307 788 HZ2 LYS 98 1HZ LYS 98 -12.267 10.357 9.215 789 HZ3 LYS 98 2HZ LYS 98 -13.623 11.161 9.827 790 H ILE 99 H ILE 99 -11.059 7.373 3.323 791 HA ILE 99 HA ILE 99 -9.260 8.159 1.381 792 HB ILE 99 HB ILE 99 -9.989 5.354 2.226 793 HG12 ILE 99 1HG1 ILE 99 -7.607 7.026 3.029 794 HG13 ILE 99 2HG1 ILE 99 -9.104 6.992 3.953 795 HG21 ILE 99 1HG2 ILE 99 -8.870 5.453 0.008 796 HG22 ILE 99 2HG2 ILE 99 -7.506 6.260 0.781 797 HG23 ILE 99 3HG2 ILE 99 -7.931 4.612 1.241 798 HD11 ILE 99 3HD1 ILE 99 -8.164 4.325 3.413 799 HD12 ILE 99 1HD1 ILE 99 -6.927 5.293 4.215 800 HD13 ILE 99 2HD1 ILE 99 -8.518 5.108 4.953 801 H ALA 100 H ALA 100 -11.963 5.866 1.000 802 HA ALA 100 HA ALA 100 -11.600 5.530 -1.792 803 HB1 ALA 100 3HB ALA 100 -13.230 3.999 -1.623 804 HB2 ALA 100 1HB ALA 100 -13.054 4.244 0.115 805 HB3 ALA 100 2HB ALA 100 -14.314 5.100 -0.774 806 H GLN 101 H GLN 101 -13.164 7.940 0.121 807 HA GLN 101 HA GLN 101 -14.843 8.923 -2.007 808 HB2 GLN 101 1HB GLN 101 -14.302 9.675 0.819 809 HB3 GLN 101 2HB GLN 101 -14.913 10.931 -0.250 810 HG2 GLN 101 1HG GLN 101 -16.295 8.295 -0.165 811 HG3 GLN 101 2HG GLN 101 -16.546 9.449 1.144 812 HE21 GLN 101 1HE2 GLN 101 -18.053 8.355 -1.374 813 HE22 GLN 101 2HE2 GLN 101 -18.800 9.781 -2.001 814 H CYS 102 H CYS 102 -11.715 8.854 -1.963 815 HA CYS 102 HA CYS 102 -9.998 10.105 -2.778 816 HB2 CYS 102 1HB CYS 102 -12.240 11.573 -4.182 817 HB3 CYS 102 2HB CYS 102 -10.540 11.616 -4.633 818 HG CYS 102 HG CYS 102 -11.800 8.523 -4.506 819 H ALA 103 H ALA 103 -10.658 10.851 -0.254 820 HA ALA 103 HA ALA 103 -10.794 13.777 -0.236 821 HB1 ALA 103 3HB ALA 103 -11.937 13.548 1.652 822 HB2 ALA 103 1HB ALA 103 -11.858 11.798 1.446 823 HB3 ALA 103 2HB ALA 103 -10.621 12.633 2.387 824 HA PRO 104 HA PRO 104 -6.359 13.852 0.186 825 HB2 PRO 104 1HB PRO 104 -6.150 16.547 0.438 826 HB3 PRO 104 2HB PRO 104 -6.423 15.745 -1.113 827 HG2 PRO 104 1HG PRO 104 -8.394 17.082 0.701 828 HG3 PRO 104 2HG PRO 104 -8.259 17.172 -1.065 829 HD2 PRO 104 1HD PRO 104 -10.070 15.590 0.180 830 HD3 PRO 104 2HD PRO 104 -9.331 15.155 -1.375 831 H GLY 105 H GLY 105 -4.856 14.183 1.838 832 HA2 GLY 105 1HA GLY 105 -4.082 14.618 3.972 833 HA3 GLY 105 2HA GLY 105 -5.561 15.514 4.282 834 H VAL 106 H VAL 106 -6.056 12.367 3.083 835 HA VAL 106 HA VAL 106 -6.606 11.395 5.813 836 HB VAL 106 HB VAL 106 -8.105 10.672 3.291 837 HG11 VAL 106 1HG1 VAL 106 -9.424 10.056 5.776 838 HG12 VAL 106 2HG1 VAL 106 -9.029 8.995 4.421 839 HG13 VAL 106 3HG1 VAL 106 -7.844 9.276 5.697 840 HG21 VAL 106 3HG2 VAL 106 -8.784 12.530 5.560 841 HG22 VAL 106 1HG2 VAL 106 -8.688 12.903 3.839 842 HG23 VAL 106 2HG2 VAL 106 -9.991 11.884 4.449 843 H VAL 107 H VAL 107 -6.317 10.014 2.534 844 HA VAL 107 HA VAL 107 -5.406 7.506 3.321 845 HB VAL 107 HB VAL 107 -6.134 7.684 1.096 846 HG11 VAL 107 1HG1 VAL 107 -5.994 9.637 0.047 847 HG12 VAL 107 2HG1 VAL 107 -4.757 10.202 1.171 848 HG13 VAL 107 3HG1 VAL 107 -4.293 9.297 -0.271 849 HG21 VAL 107 3HG2 VAL 107 -4.419 6.669 -0.127 850 HG22 VAL 107 1HG2 VAL 107 -3.163 7.601 0.689 851 HG23 VAL 107 2HG2 VAL 107 -4.009 6.317 1.552 852 H GLU 108 H GLU 108 -3.637 10.487 2.742 853 HA GLU 108 HA GLU 108 -1.039 9.453 2.667 854 HB2 GLU 108 1HB GLU 108 -2.243 12.104 3.284 855 HB3 GLU 108 2HB GLU 108 -0.571 11.843 3.759 856 HG2 GLU 108 1HG GLU 108 -0.234 12.681 1.683 857 HG3 GLU 108 2HG GLU 108 -0.371 10.972 1.276 858 H LEU 109 H LEU 109 -3.074 10.404 5.392 859 HA LEU 109 HA LEU 109 -1.238 10.304 7.454 860 HB2 LEU 109 1HB LEU 109 -4.137 9.492 7.407 861 HB3 LEU 109 2HB LEU 109 -3.185 9.618 8.885 862 HG LEU 109 HG LEU 109 -3.630 11.933 7.010 863 HD11 LEU 109 1HD1 LEU 109 -5.165 11.253 9.513 864 HD12 LEU 109 2HD1 LEU 109 -5.781 11.104 7.867 865 HD13 LEU 109 3HD1 LEU 109 -5.366 12.692 8.513 866 HD21 LEU 109 3HD2 LEU 109 -1.699 12.118 8.490 867 HD22 LEU 109 1HD2 LEU 109 -2.726 11.777 9.883 868 HD23 LEU 109 2HD2 LEU 109 -2.965 13.256 8.953 869 H VAL 110 H VAL 110 -2.436 7.739 5.516 870 HA VAL 110 HA VAL 110 -1.488 5.711 7.411 871 HB VAL 110 HB VAL 110 -3.051 5.391 4.844 872 HG11 VAL 110 1HG1 VAL 110 -1.730 3.438 5.123 873 HG12 VAL 110 2HG1 VAL 110 -2.074 3.372 6.853 874 HG13 VAL 110 3HG1 VAL 110 -3.353 3.039 5.684 875 HG21 VAL 110 3HG2 VAL 110 -4.762 6.006 6.149 876 HG22 VAL 110 1HG2 VAL 110 -4.579 4.424 6.909 877 HG23 VAL 110 2HG2 VAL 110 -3.812 5.841 7.626 878 H LEU 111 H LEU 111 -0.697 7.260 4.429 879 HA LEU 111 HA LEU 111 1.059 5.249 3.423 880 HB2 LEU 111 1HB LEU 111 0.749 8.180 2.818 881 HB3 LEU 111 2HB LEU 111 1.911 7.144 1.990 882 HG LEU 111 HG LEU 111 -1.081 6.747 1.963 883 HD11 LEU 111 1HD1 LEU 111 -0.581 7.371 -0.536 884 HD12 LEU 111 2HD1 LEU 111 0.778 8.238 0.179 885 HD13 LEU 111 3HD1 LEU 111 -0.871 8.624 0.671 886 HD21 LEU 111 3HD2 LEU 111 -0.548 4.701 1.266 887 HD22 LEU 111 1HD2 LEU 111 1.166 5.105 1.163 888 HD23 LEU 111 2HD2 LEU 111 0.095 5.457 -0.193 889 H ILE 112 H ILE 112 1.483 8.175 5.357 890 HA ILE 112 HA ILE 112 4.243 8.353 5.389 891 HB ILE 112 HB ILE 112 2.099 9.171 7.269 892 HG12 ILE 112 1HG1 ILE 112 4.484 10.684 6.195 893 HG13 ILE 112 2HG1 ILE 112 2.965 10.528 5.320 894 HG21 ILE 112 1HG2 ILE 112 4.049 10.104 8.736 895 HG22 ILE 112 2HG2 ILE 112 3.459 8.461 8.982 896 HG23 ILE 112 3HG2 ILE 112 4.940 8.737 8.066 897 HD11 ILE 112 3HD1 ILE 112 3.371 11.848 7.991 898 HD12 ILE 112 1HD1 ILE 112 3.045 12.645 6.452 899 HD13 ILE 112 2HD1 ILE 112 1.812 11.627 7.197 900 HA PRO 113 HA PRO 113 4.353 5.407 9.220 901 HB2 PRO 113 1HB PRO 113 2.079 4.042 9.802 902 HB3 PRO 113 2HB PRO 113 2.443 5.634 10.478 903 HG2 PRO 113 1HG PRO 113 0.680 4.914 8.168 904 HG3 PRO 113 2HG PRO 113 0.393 6.078 9.475 905 HD2 PRO 113 1HD PRO 113 1.212 6.832 7.007 906 HD3 PRO 113 2HD PRO 113 1.683 7.707 8.478 907 H LEU 114 H LEU 114 2.202 4.407 6.591 908 HA LEU 114 HA LEU 114 2.577 1.694 6.557 909 HB2 LEU 114 1HB LEU 114 1.069 2.748 5.028 910 HB3 LEU 114 2HB LEU 114 2.388 3.619 4.249 911 HG LEU 114 HG LEU 114 3.209 1.143 3.737 912 HD11 LEU 114 1HD1 LEU 114 0.265 0.917 4.244 913 HD12 LEU 114 2HD1 LEU 114 1.570 -0.150 4.762 914 HD13 LEU 114 3HD1 LEU 114 1.074 -0.123 3.071 915 HD21 LEU 114 3HD2 LEU 114 1.696 3.161 2.342 916 HD22 LEU 114 1HD2 LEU 114 1.290 1.548 1.755 917 HD23 LEU 114 2HD2 LEU 114 2.967 2.093 1.744 918 H ARG 115 H ARG 115 4.525 3.985 4.630 919 HA ARG 115 HA ARG 115 6.446 2.171 3.775 920 HB2 ARG 115 1HB ARG 115 7.882 4.122 3.367 921 HB3 ARG 115 2HB ARG 115 6.233 4.408 2.826 922 HG2 ARG 115 1HG ARG 115 5.785 5.719 4.823 923 HG3 ARG 115 2HG ARG 115 7.419 5.402 5.409 924 HD2 ARG 115 1HD ARG 115 8.301 6.514 3.368 925 HD3 ARG 115 2HD ARG 115 6.645 6.929 2.927 926 HE ARG 115 HE ARG 115 6.669 8.589 4.511 927 HH11 ARG 115 1HH1 ARG 115 9.393 6.478 5.003 928 HH12 ARG 115 2HH1 ARG 115 10.141 7.503 6.182 929 HH21 ARG 115 1HH2 ARG 115 7.644 9.947 6.063 930 HH22 ARG 115 2HH2 ARG 115 9.145 9.475 6.786 931 H GLN 116 H GLN 116 6.390 4.177 6.696 932 HA GLN 116 HA GLN 116 8.922 3.658 7.676 933 HB2 GLN 116 1HB GLN 116 6.312 4.111 9.116 934 HB3 GLN 116 2HB GLN 116 7.849 3.979 9.960 935 HG2 GLN 116 1HG GLN 116 7.365 5.980 7.776 936 HG3 GLN 116 2HG GLN 116 7.022 6.311 9.473 937 HE21 GLN 116 1HE2 GLN 116 8.687 8.008 8.531 938 HE22 GLN 116 2HE2 GLN 116 10.331 7.669 8.939 939 H ARG 117 H ARG 117 5.973 1.733 8.015 940 HA ARG 117 HA ARG 117 7.094 -0.218 9.739 941 HB2 ARG 117 1HB ARG 117 4.661 -0.147 7.974 942 HB3 ARG 117 2HB ARG 117 5.114 -1.613 8.832 943 HG2 ARG 117 1HG ARG 117 4.799 0.985 10.283 944 HG3 ARG 117 2HG ARG 117 3.407 -0.033 9.911 945 HD2 ARG 117 1HD ARG 117 4.252 -1.824 11.201 946 HD3 ARG 117 2HD ARG 117 5.847 -1.081 11.320 947 HE ARG 117 HE ARG 117 3.564 -0.552 12.974 948 HH11 ARG 117 1HH1 ARG 117 6.529 0.764 11.708 949 HH12 ARG 117 2HH1 ARG 117 6.729 1.899 13.001 950 HH21 ARG 117 1HH2 ARG 117 3.818 0.939 14.681 951 HH22 ARG 117 2HH2 ARG 117 5.187 1.998 14.692 952 H LEU 118 H LEU 118 6.356 -0.327 6.250 953 HA LEU 118 HA LEU 118 7.372 -2.813 5.657 954 HB2 LEU 118 1HB LEU 118 7.448 -0.294 4.007 955 HB3 LEU 118 2HB LEU 118 7.822 -1.897 3.378 956 HG LEU 118 HG LEU 118 5.177 -1.462 4.676 957 HD11 LEU 118 1HD1 LEU 118 5.428 0.474 3.205 958 HD12 LEU 118 2HD1 LEU 118 4.225 -0.657 2.587 959 HD13 LEU 118 3HD1 LEU 118 5.832 -0.597 1.863 960 HD21 LEU 118 3HD2 LEU 118 5.217 -3.616 4.010 961 HD22 LEU 118 1HD2 LEU 118 6.455 -3.329 2.787 962 HD23 LEU 118 2HD2 LEU 118 4.771 -2.923 2.450 963 H GLU 119 H GLU 119 9.116 0.246 5.958 964 HA GLU 119 HA GLU 119 11.609 -0.547 5.029 965 HB2 GLU 119 1HB GLU 119 10.763 1.463 7.098 966 HB3 GLU 119 2HB GLU 119 12.463 1.198 6.735 967 HG2 GLU 119 1HG GLU 119 11.632 1.557 4.259 968 HG3 GLU 119 2HG GLU 119 10.336 2.430 5.074 969 H GLU 120 H GLU 120 10.390 -0.629 8.376 970 HA GLU 120 HA GLU 120 12.668 -1.843 9.493 971 HB2 GLU 120 1HB GLU 120 10.590 -0.695 10.611 972 HB3 GLU 120 2HB GLU 120 9.935 -2.326 10.616 973 HG2 GLU 120 1HG GLU 120 10.912 -2.196 12.688 974 HG3 GLU 120 2HG GLU 120 12.184 -2.958 11.735 975 H ARG 121 H ARG 121 9.581 -3.251 8.421 976 HA ARG 121 HA ARG 121 10.128 -5.909 9.045 977 HB2 ARG 121 1HB ARG 121 8.315 -4.534 7.122 978 HB3 ARG 121 2HB ARG 121 8.558 -6.265 6.928 979 HG2 ARG 121 1HG ARG 121 7.882 -5.222 9.629 980 HG3 ARG 121 2HG ARG 121 6.611 -5.313 8.408 981 HD2 ARG 121 1HD ARG 121 6.413 -7.387 9.354 982 HD3 ARG 121 2HD ARG 121 7.568 -7.738 8.068 983 HE ARG 121 HE ARG 121 9.051 -8.318 9.689 984 HH11 ARG 121 1HH1 ARG 121 6.783 -6.055 11.049 985 HH12 ARG 121 2HH1 ARG 121 7.468 -6.123 12.639 986 HH21 ARG 121 1HH2 ARG 121 9.963 -8.417 11.777 987 HH22 ARG 121 2HH2 ARG 121 9.278 -7.466 13.052 988 H GLN 122 H GLN 122 11.009 -3.999 6.224 989 HA GLN 122 HA GLN 122 11.790 -5.832 4.390 990 HB2 GLN 122 1HB GLN 122 12.033 -3.304 4.286 991 HB3 GLN 122 2HB GLN 122 13.561 -3.507 5.133 992 HG2 GLN 122 1HG GLN 122 14.136 -5.143 3.222 993 HG3 GLN 122 2HG GLN 122 12.810 -4.354 2.369 994 HE21 GLN 122 1HE2 GLN 122 15.165 -4.169 1.206 995 HE22 GLN 122 2HE2 GLN 122 15.857 -2.597 1.395 996 H ARG 123 H ARG 123 13.321 -5.182 7.454 997 HA ARG 123 HA ARG 123 15.725 -6.632 6.880 998 HB2 ARG 123 1HB ARG 123 16.420 -6.037 8.987 999 HB3 ARG 123 2HB ARG 123 15.221 -4.784 8.693 1000 HG2 ARG 123 1HG ARG 123 13.610 -6.524 9.832 1001 HG3 ARG 123 2HG ARG 123 15.120 -7.116 10.529 1002 HD2 ARG 123 1HD ARG 123 15.575 -5.025 11.545 1003 HD3 ARG 123 2HD ARG 123 14.306 -4.222 10.620 1004 HE ARG 123 HE ARG 123 12.738 -5.023 12.110 1005 HH11 ARG 123 1HH1 ARG 123 15.828 -6.512 12.705 1006 HH12 ARG 123 2HH1 ARG 123 15.348 -7.209 14.217 1007 HH21 ARG 123 1HH2 ARG 123 12.094 -5.934 14.099 1008 HH22 ARG 123 2HH2 ARG 123 13.223 -6.880 15.009 1009 H ARG 124 H ARG 124 16.353 -8.653 7.733 1010 HA ARG 124 HA ARG 124 14.129 -10.377 8.602 1011 HB2 ARG 124 1HB ARG 124 16.363 -11.122 6.705 1012 HB3 ARG 124 2HB ARG 124 15.123 -12.217 7.302 1013 HG2 ARG 124 1HG ARG 124 14.340 -9.730 5.848 1014 HG3 ARG 124 2HG ARG 124 14.882 -11.151 4.954 1015 HD2 ARG 124 1HD ARG 124 12.585 -11.448 5.041 1016 HD3 ARG 124 2HD ARG 124 13.155 -12.424 6.395 1017 HE ARG 124 HE ARG 124 12.469 -9.731 7.124 1018 HH11 ARG 124 1HH1 ARG 124 11.257 -12.954 6.617 1019 HH12 ARG 124 2HH1 ARG 124 9.886 -12.743 7.656 1020 HH21 ARG 124 1HH2 ARG 124 10.669 -9.440 8.494 1021 HH22 ARG 124 2HH2 ARG 124 9.552 -10.743 8.723 1022 H ARG 125 H ARG 125 15.115 -12.562 9.438 1023 HA ARG 125 HA ARG 125 17.076 -11.812 11.475 1024 HB2 ARG 125 1HB ARG 125 14.849 -12.885 12.061 1025 HB3 ARG 125 2HB ARG 125 15.473 -14.363 11.339 1026 HG2 ARG 125 1HG ARG 125 15.923 -14.676 13.575 1027 HG3 ARG 125 2HG ARG 125 17.453 -14.033 12.975 1028 HD2 ARG 125 1HD ARG 125 15.389 -12.146 14.010 1029 HD3 ARG 125 2HD ARG 125 16.347 -13.079 15.158 1030 HE ARG 125 HE ARG 125 17.215 -10.837 13.639 1031 HH11 ARG 125 1HH1 ARG 125 18.279 -13.868 14.982 1032 HH12 ARG 125 2HH1 ARG 125 19.937 -13.379 15.110 1033 HH21 ARG 125 1HH2 ARG 125 19.394 -10.181 13.803 1034 HH22 ARG 125 2HH2 ARG 125 20.569 -11.281 14.440 1035 H LYS 126 H LYS 126 19.047 -12.745 11.669 1036 HA LYS 126 HA LYS 126 19.800 -14.689 9.587 1037 HB2 LYS 126 1HB LYS 126 20.880 -12.364 9.608 1038 HB3 LYS 126 2HB LYS 126 21.715 -12.891 11.063 1039 HG2 LYS 126 1HG LYS 126 23.268 -13.369 9.448 1040 HG3 LYS 126 2HG LYS 126 22.428 -14.915 9.583 1041 HD2 LYS 126 1HD LYS 126 21.283 -14.609 7.581 1042 HD3 LYS 126 2HD LYS 126 21.529 -12.861 7.596 1043 HE2 LYS 126 1HE LYS 126 23.817 -14.791 7.340 1044 HE3 LYS 126 2HE LYS 126 22.903 -14.239 5.937 1045 HZ1 LYS 126 3HZ LYS 126 25.049 -12.984 6.941 1046 HZ2 LYS 126 1HZ LYS 126 23.799 -12.130 7.697 1047 HZ3 LYS 126 2HZ LYS 126 23.855 -12.230 6.010 1048 H GLN 127 H GLN 127 21.257 -16.374 10.146 1049 HA GLN 127 HA GLN 127 21.182 -17.061 13.006 1050 HB2 GLN 127 1HB GLN 127 19.957 -18.648 11.658 1051 HB3 GLN 127 2HB GLN 127 21.322 -18.835 10.566 1052 HG2 GLN 127 1HG GLN 127 21.308 -20.741 11.943 1053 HG3 GLN 127 2HG GLN 127 22.626 -19.724 12.522 1054 HE21 GLN 127 1HE2 GLN 127 22.739 -19.473 14.628 1055 HE22 GLN 127 2HE2 GLN 127 21.433 -19.632 15.747 Start of MODEL 10 1 H1 GLY 1 H GLY 1 18.975 3.249 3.875 2 HA2 GLY 1 1HA GLY 1 20.827 2.981 1.813 3 HA3 GLY 1 2HA GLY 1 19.651 4.176 1.285 4 H SER 2 H SER 2 21.563 5.589 1.271 5 HA SER 2 HA SER 2 22.694 6.340 3.818 6 HB2 SER 2 1HB SER 2 24.140 7.765 2.594 7 HB3 SER 2 2HB SER 2 23.925 6.344 1.574 8 HG SER 2 HG SER 2 22.925 8.941 1.254 9 H SER 3 H SER 3 19.954 6.656 3.885 10 HA SER 3 HA SER 3 19.755 9.460 4.528 11 HB2 SER 3 1HB SER 3 18.199 8.253 2.251 12 HB3 SER 3 2HB SER 3 17.565 9.624 3.161 13 HG SER 3 HG SER 3 19.892 9.477 1.571 14 H GLY 4 H GLY 4 17.409 9.924 5.325 15 HA2 GLY 4 1HA GLY 4 15.516 8.210 6.120 16 HA3 GLY 4 2HA GLY 4 16.806 7.832 7.252 17 H SER 5 H SER 5 17.847 10.389 7.665 18 HA SER 5 HA SER 5 16.555 11.362 9.801 19 HB2 SER 5 1HB SER 5 17.704 13.422 9.534 20 HB3 SER 5 2HB SER 5 18.724 12.214 8.752 21 HG SER 5 HG SER 5 18.552 13.374 7.022 22 H SER 6 H SER 6 15.082 13.082 10.244 23 HA SER 6 HA SER 6 13.537 14.334 8.218 24 HB2 SER 6 1HB SER 6 11.358 13.198 8.822 25 HB3 SER 6 2HB SER 6 12.488 12.205 7.902 26 HG SER 6 HG SER 6 12.923 11.027 9.675 27 H GLY 7 H GLY 7 11.729 15.610 9.137 28 HA2 GLY 7 1HA GLY 7 12.365 16.368 11.916 29 HA3 GLY 7 2HA GLY 7 11.713 17.459 10.701 30 H MET 8 H MET 8 10.874 16.238 13.470 31 HA MET 8 HA MET 8 8.069 15.837 12.675 32 HB2 MET 8 1HB MET 8 9.286 13.722 13.424 33 HB3 MET 8 2HB MET 8 9.340 14.443 15.027 34 HG2 MET 8 1HG MET 8 7.019 14.362 15.270 35 HG3 MET 8 2HG MET 8 6.759 14.120 13.544 36 HE1 MET 8 3HE MET 8 7.904 11.064 16.714 37 HE2 MET 8 1HE MET 8 8.077 12.817 16.791 38 HE3 MET 8 2HE MET 8 6.472 12.087 16.840 39 H ALA 9 H ALA 9 7.282 17.814 13.203 40 HA ALA 9 HA ALA 9 7.712 18.738 15.969 41 HB1 ALA 9 3HB ALA 9 6.914 20.988 14.876 42 HB2 ALA 9 1HB ALA 9 8.593 20.463 14.746 43 HB3 ALA 9 2HB ALA 9 7.485 20.218 13.395 44 H SER 10 H SER 10 5.871 20.042 16.851 45 HA SER 10 HA SER 10 3.623 18.670 17.282 46 HB2 SER 10 1HB SER 10 4.350 21.082 18.062 47 HB3 SER 10 2HB SER 10 3.243 21.599 16.790 48 HG SER 10 HG SER 10 1.624 21.044 18.006 49 H SER 11 H SER 11 4.065 20.873 14.534 50 HA SER 11 HA SER 11 1.772 19.558 13.229 51 HB2 SER 11 1HB SER 11 1.220 21.658 12.139 52 HB3 SER 11 2HB SER 11 1.278 21.909 13.883 53 HG SER 11 HG SER 11 2.740 23.080 11.944 54 H VAL 12 H VAL 12 2.069 18.805 11.204 55 HA VAL 12 HA VAL 12 4.770 18.789 10.162 56 HB VAL 12 HB VAL 12 2.263 17.484 9.092 57 HG11 VAL 12 1HG1 VAL 12 3.919 17.857 7.341 58 HG12 VAL 12 2HG1 VAL 12 5.153 17.071 8.329 59 HG13 VAL 12 3HG1 VAL 12 3.781 16.141 7.723 60 HG21 VAL 12 3HG2 VAL 12 4.324 16.661 11.062 61 HG22 VAL 12 1HG2 VAL 12 2.600 16.294 11.004 62 HG23 VAL 12 2HG2 VAL 12 3.721 15.435 9.947 63 H ASP 13 H ASP 13 5.516 19.883 8.439 64 HA ASP 13 HA ASP 13 3.783 21.905 7.270 65 HB2 ASP 13 1HB ASP 13 5.878 22.772 6.263 66 HB3 ASP 13 2HB ASP 13 5.980 22.622 8.015 67 H GLU 14 H GLU 14 4.080 22.336 4.868 68 HA GLU 14 HA GLU 14 3.090 20.189 3.397 69 HB2 GLU 14 1HB GLU 14 4.511 22.661 2.389 70 HB3 GLU 14 2HB GLU 14 3.546 21.575 1.400 71 HG2 GLU 14 1HG GLU 14 1.673 22.115 3.126 72 HG3 GLU 14 2HG GLU 14 2.671 23.526 3.474 73 H GLU 15 H GLU 15 6.380 21.547 3.430 74 HA GLU 15 HA GLU 15 7.630 20.017 1.560 75 HB2 GLU 15 1HB GLU 15 8.525 21.780 3.337 76 HB3 GLU 15 2HB GLU 15 9.036 20.319 4.170 77 HG2 GLU 15 1HG GLU 15 10.715 21.436 2.629 78 HG3 GLU 15 2HG GLU 15 10.483 19.698 2.450 79 H ALA 16 H ALA 16 6.768 19.046 4.842 80 HA ALA 16 HA ALA 16 8.099 16.633 5.033 81 HB1 ALA 16 3HB ALA 16 6.258 17.974 6.560 82 HB2 ALA 16 1HB ALA 16 5.386 16.512 6.098 83 HB3 ALA 16 2HB ALA 16 6.938 16.388 6.927 84 H LEU 17 H LEU 17 4.991 17.328 3.485 85 HA LEU 17 HA LEU 17 4.197 14.729 2.898 86 HB2 LEU 17 1HB LEU 17 3.730 17.356 1.532 87 HB3 LEU 17 2HB LEU 17 3.068 15.859 0.879 88 HG LEU 17 HG LEU 17 2.502 16.630 3.714 89 HD11 LEU 17 1HD1 LEU 17 0.831 17.552 1.390 90 HD12 LEU 17 2HD1 LEU 17 2.022 18.580 2.187 91 HD13 LEU 17 3HD1 LEU 17 0.646 17.956 3.097 92 HD21 LEU 17 3HD2 LEU 17 1.850 14.418 3.028 93 HD22 LEU 17 1HD2 LEU 17 1.038 15.056 1.599 94 HD23 LEU 17 2HD2 LEU 17 0.402 15.411 3.206 95 H HIS 18 H HIS 18 6.181 16.955 0.963 96 HA HIS 18 HA HIS 18 6.560 15.580 -1.338 97 HB2 HIS 18 1HB HIS 18 7.690 17.767 -0.407 98 HB3 HIS 18 2HB HIS 18 9.001 16.667 0.012 99 HD1 HIS 18 1HD HIS 18 10.689 17.429 -1.697 100 HD2 HIS 18 2HD HIS 18 7.020 16.449 -3.383 101 HE1 HIS 18 1HE HIS 18 11.066 17.446 -4.183 102 HE2 HIS 18 2HE HIS 18 8.812 16.934 -5.184 103 H GLN 19 H GLN 19 8.488 15.074 1.619 104 HA GLN 19 HA GLN 19 10.193 13.119 0.873 105 HB2 GLN 19 1HB GLN 19 8.571 13.142 3.424 106 HB3 GLN 19 2HB GLN 19 10.042 12.214 3.168 107 HG2 GLN 19 1HG GLN 19 10.088 15.166 2.770 108 HG3 GLN 19 2HG GLN 19 10.115 14.505 4.404 109 HE21 GLN 19 1HE2 GLN 19 12.034 15.679 2.107 110 HE22 GLN 19 2HE2 GLN 19 13.487 14.799 2.418 111 H LEU 20 H LEU 20 6.761 12.681 1.597 112 HA LEU 20 HA LEU 20 6.811 9.844 1.256 113 HB2 LEU 20 1HB LEU 20 5.113 10.782 2.635 114 HB3 LEU 20 2HB LEU 20 4.580 11.861 1.347 115 HG LEU 20 HG LEU 20 4.052 9.581 0.125 116 HD11 LEU 20 1HD1 LEU 20 4.890 8.042 1.704 117 HD12 LEU 20 2HD1 LEU 20 3.135 7.983 1.855 118 HD13 LEU 20 3HD1 LEU 20 4.092 8.864 3.044 119 HD21 LEU 20 3HD2 LEU 20 2.580 11.535 1.310 120 HD22 LEU 20 1HD2 LEU 20 2.043 10.108 2.196 121 HD23 LEU 20 2HD2 LEU 20 1.906 10.157 0.438 122 H TYR 21 H TYR 21 6.125 12.598 -0.816 123 HA TYR 21 HA TYR 21 5.101 11.065 -2.993 124 HB2 TYR 21 1HB TYR 21 6.251 13.863 -2.959 125 HB3 TYR 21 2HB TYR 21 5.343 13.149 -4.287 126 HD1 TYR 21 2HD TYR 21 3.221 11.746 -2.672 127 HD2 TYR 21 1HD TYR 21 4.851 15.665 -2.374 128 HE1 TYR 21 2HE TYR 21 1.120 12.537 -1.665 129 HE2 TYR 21 1HE TYR 21 2.756 16.467 -1.366 130 HH TYR 21 HH TYR 21 -0.046 15.034 -1.563 131 H LEU 22 H LEU 22 8.256 11.842 -1.857 132 HA LEU 22 HA LEU 22 9.555 11.300 -4.390 133 HB2 LEU 22 1HB LEU 22 10.771 11.678 -1.659 134 HB3 LEU 22 2HB LEU 22 11.625 11.698 -3.201 135 HG LEU 22 HG LEU 22 9.471 13.702 -2.664 136 HD11 LEU 22 1HD1 LEU 22 10.823 15.104 -1.441 137 HD12 LEU 22 2HD1 LEU 22 12.306 14.307 -1.961 138 HD13 LEU 22 3HD1 LEU 22 11.258 13.531 -0.774 139 HD21 LEU 22 3HD2 LEU 22 11.250 15.026 -4.046 140 HD22 LEU 22 1HD2 LEU 22 10.170 13.886 -4.848 141 HD23 LEU 22 2HD2 LEU 22 11.828 13.415 -4.472 142 H TRP 23 H TRP 23 9.154 9.733 -1.245 143 HA TRP 23 HA TRP 23 10.831 7.555 -1.579 144 HB2 TRP 23 1HB TRP 23 9.967 7.655 0.552 145 HB3 TRP 23 2HB TRP 23 8.344 8.049 -0.009 146 HD1 TRP 23 HD TRP 23 10.686 4.945 -0.197 147 HE1 TRP 23 1HE TRP 23 9.240 2.850 0.187 148 HE3 TRP 23 3HE TRP 23 6.118 7.189 0.284 149 HZ2 TRP 23 2HZ TRP 23 6.523 2.231 0.633 150 HZ3 TRP 23 3HZ TRP 23 4.146 5.774 0.687 151 HH2 TRP 23 HH TRP 23 4.346 3.347 0.858 152 H VAL 24 H VAL 24 7.527 8.029 -2.726 153 HA VAL 24 HA VAL 24 7.174 5.387 -3.714 154 HB VAL 24 HB VAL 24 5.764 7.951 -4.467 155 HG11 VAL 24 1HG1 VAL 24 3.979 6.374 -5.287 156 HG12 VAL 24 2HG1 VAL 24 5.445 6.437 -6.267 157 HG13 VAL 24 3HG1 VAL 24 5.175 5.084 -5.169 158 HG21 VAL 24 3HG2 VAL 24 4.032 7.240 -2.963 159 HG22 VAL 24 1HG2 VAL 24 4.860 5.713 -2.660 160 HG23 VAL 24 2HG2 VAL 24 5.566 7.227 -2.093 161 H ASP 25 H ASP 25 7.898 8.468 -5.354 162 HA ASP 25 HA ASP 25 8.044 7.832 -7.941 163 HB2 ASP 25 1HB ASP 25 8.735 10.006 -7.379 164 HB3 ASP 25 2HB ASP 25 9.987 9.423 -6.286 165 H ASN 26 H ASN 26 10.688 7.115 -5.662 166 HA ASN 26 HA ASN 26 12.548 5.949 -7.208 167 HB2 ASN 26 1HB ASN 26 12.711 6.078 -4.758 168 HB3 ASN 26 2HB ASN 26 11.522 4.787 -4.609 169 HD21 ASN 26 1HD2 ASN 26 12.251 2.788 -4.463 170 HD22 ASN 26 2HD2 ASN 26 13.845 2.261 -4.869 171 H ILE 27 H ILE 27 9.711 4.196 -5.949 172 HA ILE 27 HA ILE 27 10.236 1.810 -7.374 173 HB ILE 27 HB ILE 27 7.554 2.776 -6.380 174 HG12 ILE 27 1HG1 ILE 27 9.435 0.971 -4.876 175 HG13 ILE 27 2HG1 ILE 27 9.518 2.720 -4.704 176 HG21 ILE 27 1HG2 ILE 27 7.871 0.729 -7.983 177 HG22 ILE 27 2HG2 ILE 27 8.396 -0.080 -6.507 178 HG23 ILE 27 3HG2 ILE 27 6.782 0.624 -6.600 179 HD11 ILE 27 3HD1 ILE 27 7.069 1.059 -4.168 180 HD12 ILE 27 1HD1 ILE 27 8.200 1.626 -2.939 181 HD13 ILE 27 2HD1 ILE 27 7.262 2.788 -3.877 182 HA PRO 28 HA PRO 28 8.979 3.083 -11.428 183 HB2 PRO 28 1HB PRO 28 8.966 0.613 -12.555 184 HB3 PRO 28 2HB PRO 28 10.454 1.501 -12.203 185 HG2 PRO 28 1HG PRO 28 9.137 -0.684 -10.637 186 HG3 PRO 28 2HG PRO 28 10.855 -0.453 -11.008 187 HD2 PRO 28 1HD PRO 28 9.778 0.212 -8.614 188 HD3 PRO 28 2HD PRO 28 11.136 1.104 -9.331 189 H LEU 29 H LEU 29 6.859 3.777 -11.052 190 HA LEU 29 HA LEU 29 4.801 1.716 -11.483 191 HB2 LEU 29 1HB LEU 29 4.543 4.164 -9.743 192 HB3 LEU 29 2HB LEU 29 3.283 2.971 -10.050 193 HG LEU 29 HG LEU 29 5.859 2.131 -8.781 194 HD11 LEU 29 1HD1 LEU 29 5.448 3.713 -7.207 195 HD12 LEU 29 2HD1 LEU 29 4.353 2.464 -6.616 196 HD13 LEU 29 3HD1 LEU 29 3.726 3.800 -7.580 197 HD21 LEU 29 3HD2 LEU 29 3.537 0.926 -7.696 198 HD22 LEU 29 1HD2 LEU 29 4.790 0.191 -8.696 199 HD23 LEU 29 2HD2 LEU 29 3.374 0.920 -9.452 200 H SER 30 H SER 30 5.340 5.241 -11.570 201 HA SER 30 HA SER 30 4.369 6.852 -12.895 202 HB2 SER 30 1HB SER 30 5.472 4.795 -14.800 203 HB3 SER 30 2HB SER 30 4.771 6.306 -15.380 204 HG SER 30 HG SER 30 6.666 6.462 -13.342 205 H ARG 31 H ARG 31 2.537 4.689 -11.987 206 HA ARG 31 HA ARG 31 0.753 3.926 -13.999 207 HB2 ARG 31 1HB ARG 31 0.308 2.768 -12.084 208 HB3 ARG 31 2HB ARG 31 0.658 4.142 -11.044 209 HG2 ARG 31 1HG ARG 31 -1.483 5.078 -11.400 210 HG3 ARG 31 2HG ARG 31 -1.823 3.966 -12.728 211 HD2 ARG 31 1HD ARG 31 -1.417 3.157 -9.851 212 HD3 ARG 31 2HD ARG 31 -2.985 3.358 -10.632 213 HE ARG 31 HE ARG 31 -1.226 1.119 -10.861 214 HH11 ARG 31 1HH1 ARG 31 -3.654 2.976 -12.528 215 HH12 ARG 31 2HH1 ARG 31 -4.146 1.663 -13.546 216 HH21 ARG 31 1HH2 ARG 31 -1.865 -0.617 -12.195 217 HH22 ARG 31 2HH2 ARG 31 -3.128 -0.381 -13.355 218 HA PRO 32 HA PRO 32 -1.881 7.824 -12.900 219 HB2 PRO 32 1HB PRO 32 -0.728 9.701 -11.313 220 HB3 PRO 32 2HB PRO 32 -1.670 8.349 -10.673 221 HG2 PRO 32 1HG PRO 32 1.300 8.653 -10.892 222 HG3 PRO 32 2HG PRO 32 0.337 8.014 -9.548 223 HD2 PRO 32 1HD PRO 32 1.622 6.410 -11.311 224 HD3 PRO 32 2HD PRO 32 0.090 5.949 -10.541 225 H LYS 33 H LYS 33 -1.899 8.938 -14.741 226 HA LYS 33 HA LYS 33 0.542 9.965 -15.898 227 HB2 LYS 33 1HB LYS 33 -1.192 10.820 -17.654 228 HB3 LYS 33 2HB LYS 33 -0.830 9.102 -17.549 229 HG2 LYS 33 1HG LYS 33 -3.261 9.709 -17.766 230 HG3 LYS 33 2HG LYS 33 -2.850 8.643 -16.420 231 HD2 LYS 33 1HD LYS 33 -2.868 10.565 -14.900 232 HD3 LYS 33 2HD LYS 33 -3.283 11.626 -16.248 233 HE2 LYS 33 1HE LYS 33 -4.943 9.553 -14.880 234 HE3 LYS 33 2HE LYS 33 -5.345 11.221 -15.282 235 HZ1 LYS 33 3HZ LYS 33 -5.183 10.422 -17.690 236 HZ2 LYS 33 1HZ LYS 33 -6.549 9.972 -16.800 237 HZ3 LYS 33 2HZ LYS 33 -5.300 8.860 -17.051 238 H ARG 34 H ARG 34 -1.494 11.096 -13.588 239 HA ARG 34 HA ARG 34 -0.893 13.896 -14.279 240 HB2 ARG 34 1HB ARG 34 -3.368 13.120 -14.414 241 HB3 ARG 34 2HB ARG 34 -3.302 13.131 -12.656 242 HG2 ARG 34 1HG ARG 34 -3.064 15.423 -12.545 243 HG3 ARG 34 2HG ARG 34 -2.438 15.541 -14.191 244 HD2 ARG 34 1HD ARG 34 -4.539 15.375 -15.141 245 HD3 ARG 34 2HD ARG 34 -5.225 14.573 -13.729 246 HE ARG 34 HE ARG 34 -4.407 17.234 -13.133 247 HH11 ARG 34 1HH1 ARG 34 -6.928 15.361 -14.637 248 HH12 ARG 34 2HH1 ARG 34 -8.154 16.555 -14.370 249 HH21 ARG 34 1HH2 ARG 34 -6.013 18.814 -12.776 250 HH22 ARG 34 2HH2 ARG 34 -7.632 18.520 -13.312 251 H ASN 35 H ASN 35 -2.197 12.182 -11.437 252 HA ASN 35 HA ASN 35 0.149 12.981 -9.891 253 HB2 ASN 35 1HB ASN 35 -1.608 14.775 -9.669 254 HB3 ASN 35 2HB ASN 35 -2.651 13.572 -8.917 255 HD21 ASN 35 1HD2 ASN 35 -0.102 15.772 -8.478 256 HD22 ASN 35 2HD2 ASN 35 0.223 15.429 -6.816 257 H LEU 36 H LEU 36 0.331 11.856 -7.844 258 HA LEU 36 HA LEU 36 -0.765 9.166 -8.027 259 HB2 LEU 36 1HB LEU 36 0.874 8.560 -6.382 260 HB3 LEU 36 2HB LEU 36 1.645 9.511 -7.649 261 HG LEU 36 HG LEU 36 1.192 11.478 -5.922 262 HD11 LEU 36 1HD1 LEU 36 0.372 10.730 -3.991 263 HD12 LEU 36 2HD1 LEU 36 1.970 10.044 -3.701 264 HD13 LEU 36 3HD1 LEU 36 0.698 9.048 -4.409 265 HD21 LEU 36 3HD2 LEU 36 3.422 11.514 -5.793 266 HD22 LEU 36 1HD2 LEU 36 3.375 10.067 -6.801 267 HD23 LEU 36 2HD2 LEU 36 3.495 9.916 -5.047 268 H SER 37 H SER 37 -0.664 11.869 -5.737 269 HA SER 37 HA SER 37 -1.924 10.804 -3.558 270 HB2 SER 37 1HB SER 37 -1.073 13.147 -3.751 271 HB3 SER 37 2HB SER 37 -2.511 13.550 -4.688 272 HG SER 37 HG SER 37 -2.599 13.984 -2.358 273 H ARG 38 H ARG 38 -3.263 11.387 -6.679 274 HA ARG 38 HA ARG 38 -6.012 11.193 -5.758 275 HB2 ARG 38 1HB ARG 38 -5.413 12.717 -7.613 276 HB3 ARG 38 2HB ARG 38 -4.915 11.329 -8.571 277 HG2 ARG 38 1HG ARG 38 -7.097 12.004 -9.273 278 HG3 ARG 38 2HG ARG 38 -7.232 10.461 -8.426 279 HD2 ARG 38 1HD ARG 38 -7.652 13.092 -7.037 280 HD3 ARG 38 2HD ARG 38 -8.959 12.259 -7.878 281 HE ARG 38 HE ARG 38 -7.906 10.373 -6.209 282 HH11 ARG 38 1HH1 ARG 38 -9.219 13.571 -5.798 283 HH12 ARG 38 2HH1 ARG 38 -9.813 13.263 -4.200 284 HH21 ARG 38 1HH2 ARG 38 -8.684 9.955 -4.106 285 HH22 ARG 38 2HH2 ARG 38 -9.508 11.206 -3.238 286 H ASP 39 H ASP 39 -3.602 9.234 -7.399 287 HA ASP 39 HA ASP 39 -5.405 7.103 -8.041 288 HB2 ASP 39 1HB ASP 39 -3.195 7.660 -9.209 289 HB3 ASP 39 2HB ASP 39 -2.405 6.871 -7.846 290 H PHE 40 H PHE 40 -2.690 7.332 -5.734 291 HA PHE 40 HA PHE 40 -2.782 5.012 -4.419 292 HB2 PHE 40 1HB PHE 40 -2.370 7.800 -3.467 293 HB3 PHE 40 2HB PHE 40 -2.565 6.550 -2.242 294 HD1 PHE 40 2HD PHE 40 -0.602 7.373 -5.290 295 HD2 PHE 40 1HD PHE 40 -0.748 5.274 -1.590 296 HE1 PHE 40 2HE PHE 40 1.765 6.755 -5.551 297 HE2 PHE 40 1HE PHE 40 1.619 4.653 -1.844 298 HZ PHE 40 HZ PHE 40 2.879 5.393 -3.827 299 H SER 41 H SER 41 -4.947 7.720 -3.592 300 HA SER 41 HA SER 41 -6.444 6.746 -1.596 301 HB2 SER 41 1HB SER 41 -6.924 8.902 -2.623 302 HB3 SER 41 2HB SER 41 -7.530 8.105 -4.074 303 HG SER 41 HG SER 41 -9.379 7.909 -3.119 304 H ASP 42 H ASP 42 -6.858 5.846 -5.000 305 HA ASP 42 HA ASP 42 -9.080 4.283 -4.937 306 HB2 ASP 42 1HB ASP 42 -8.364 3.350 -6.915 307 HB3 ASP 42 2HB ASP 42 -7.289 4.743 -6.830 308 H GLY 43 H GLY 43 -5.785 3.093 -4.241 309 HA2 GLY 43 1HA GLY 43 -5.526 1.724 -2.204 310 HA3 GLY 43 2HA GLY 43 -7.038 0.945 -2.644 311 H VAL 44 H VAL 44 -6.523 0.642 -5.417 312 HA VAL 44 HA VAL 44 -5.158 -1.814 -5.417 313 HB VAL 44 HB VAL 44 -5.667 -0.074 -7.831 314 HG11 VAL 44 1HG1 VAL 44 -5.278 -3.042 -7.478 315 HG12 VAL 44 2HG1 VAL 44 -5.833 -2.285 -8.973 316 HG13 VAL 44 3HG1 VAL 44 -4.228 -1.919 -8.341 317 HG21 VAL 44 3HG2 VAL 44 -7.737 -0.270 -6.623 318 HG22 VAL 44 1HG2 VAL 44 -7.799 -1.335 -8.028 319 HG23 VAL 44 2HG2 VAL 44 -7.506 -2.007 -6.424 320 H LEU 45 H LEU 45 -4.140 1.437 -6.366 321 HA LEU 45 HA LEU 45 -1.638 0.722 -7.444 322 HB2 LEU 45 1HB LEU 45 -2.258 2.847 -8.029 323 HB3 LEU 45 2HB LEU 45 -2.878 3.223 -6.422 324 HG LEU 45 HG LEU 45 -0.592 3.500 -5.601 325 HD11 LEU 45 1HD1 LEU 45 0.371 3.228 -8.429 326 HD12 LEU 45 2HD1 LEU 45 0.354 1.863 -7.313 327 HD13 LEU 45 3HD1 LEU 45 1.315 3.293 -6.941 328 HD21 LEU 45 3HD2 LEU 45 -1.319 5.080 -8.060 329 HD22 LEU 45 1HD2 LEU 45 -0.006 5.516 -6.966 330 HD23 LEU 45 2HD2 LEU 45 -1.668 5.479 -6.378 331 H VAL 46 H VAL 46 -2.619 1.679 -4.178 332 HA VAL 46 HA VAL 46 -0.175 1.903 -2.939 333 HB VAL 46 HB VAL 46 -2.673 0.656 -1.783 334 HG11 VAL 46 1HG1 VAL 46 -0.736 2.093 -0.075 335 HG12 VAL 46 2HG1 VAL 46 -1.735 0.682 0.278 336 HG13 VAL 46 3HG1 VAL 46 -0.249 0.501 -0.654 337 HG21 VAL 46 3HG2 VAL 46 -2.981 2.929 -2.706 338 HG22 VAL 46 1HG2 VAL 46 -3.186 2.868 -0.955 339 HG23 VAL 46 2HG2 VAL 46 -1.695 3.507 -1.647 340 H ALA 47 H ALA 47 -2.071 -1.065 -3.432 341 HA ALA 47 HA ALA 47 -0.480 -2.886 -2.119 342 HB1 ALA 47 3HB ALA 47 -1.271 -4.474 -4.035 343 HB2 ALA 47 1HB ALA 47 -2.443 -3.789 -2.908 344 HB3 ALA 47 2HB ALA 47 -2.248 -3.085 -4.514 345 H GLU 48 H GLU 48 -0.226 -1.965 -5.558 346 HA GLU 48 HA GLU 48 1.900 -3.482 -6.337 347 HB2 GLU 48 1HB GLU 48 1.222 -0.633 -7.056 348 HB3 GLU 48 2HB GLU 48 2.511 -1.529 -7.849 349 HG2 GLU 48 1HG GLU 48 -0.263 -2.637 -7.725 350 HG3 GLU 48 2HG GLU 48 0.183 -1.443 -8.943 351 H VAL 49 H VAL 49 2.080 -0.318 -4.725 352 HA VAL 49 HA VAL 49 4.805 0.056 -4.679 353 HB VAL 49 HB VAL 49 2.852 0.713 -2.468 354 HG11 VAL 49 1HG1 VAL 49 5.688 0.971 -2.584 355 HG12 VAL 49 2HG1 VAL 49 4.967 2.582 -2.617 356 HG13 VAL 49 3HG1 VAL 49 4.583 1.469 -1.303 357 HG21 VAL 49 3HG2 VAL 49 2.417 1.608 -4.816 358 HG22 VAL 49 1HG2 VAL 49 2.510 2.791 -3.511 359 HG23 VAL 49 2HG2 VAL 49 3.881 2.567 -4.598 360 H ILE 50 H ILE 50 2.871 -1.576 -2.164 361 HA ILE 50 HA ILE 50 4.895 -2.332 -0.461 362 HB ILE 50 HB ILE 50 2.418 -3.906 -1.172 363 HG12 ILE 50 1HG1 ILE 50 2.922 -2.089 1.189 364 HG13 ILE 50 2HG1 ILE 50 2.121 -1.561 -0.286 365 HG21 ILE 50 1HG2 ILE 50 3.313 -5.538 0.052 366 HG22 ILE 50 2HG2 ILE 50 4.640 -4.509 0.589 367 HG23 ILE 50 3HG2 ILE 50 3.099 -4.479 1.446 368 HD11 ILE 50 3HD1 ILE 50 0.353 -3.189 0.081 369 HD12 ILE 50 1HD1 ILE 50 1.162 -3.747 1.545 370 HD13 ILE 50 2HD1 ILE 50 0.521 -2.105 1.462 371 H LYS 51 H LYS 51 3.741 -4.027 -3.353 372 HA LYS 51 HA LYS 51 5.018 -6.392 -3.304 373 HB2 LYS 51 1HB LYS 51 3.690 -5.484 -5.217 374 HB3 LYS 51 2HB LYS 51 5.098 -4.547 -5.698 375 HG2 LYS 51 1HG LYS 51 5.258 -6.383 -7.068 376 HG3 LYS 51 2HG LYS 51 6.297 -6.852 -5.721 377 HD2 LYS 51 1HD LYS 51 5.033 -8.754 -5.964 378 HD3 LYS 51 2HD LYS 51 4.069 -7.874 -4.776 379 HE2 LYS 51 1HE LYS 51 2.618 -8.757 -6.486 380 HE3 LYS 51 2HE LYS 51 2.670 -7.000 -6.617 381 HZ1 LYS 51 3HZ LYS 51 4.145 -7.159 -8.465 382 HZ2 LYS 51 1HZ LYS 51 2.831 -8.180 -8.771 383 HZ3 LYS 51 2HZ LYS 51 4.311 -8.832 -8.276 384 H PHE 52 H PHE 52 6.589 -3.436 -4.545 385 HA PHE 52 HA PHE 52 9.080 -4.263 -5.090 386 HB2 PHE 52 1HB PHE 52 8.182 -1.872 -5.057 387 HB3 PHE 52 2HB PHE 52 8.666 -1.825 -3.365 388 HD1 PHE 52 2HD PHE 52 11.030 -1.911 -2.746 389 HD2 PHE 52 1HD PHE 52 9.796 -1.794 -6.818 390 HE1 PHE 52 2HE PHE 52 13.313 -1.286 -3.417 391 HE2 PHE 52 1HE PHE 52 12.078 -1.170 -7.495 392 HZ PHE 52 HZ PHE 52 13.839 -0.914 -5.794 393 H TYR 53 H TYR 53 8.010 -3.404 -1.802 394 HA TYR 53 HA TYR 53 10.442 -4.278 -0.587 395 HB2 TYR 53 1HB TYR 53 7.741 -3.497 0.491 396 HB3 TYR 53 2HB TYR 53 9.018 -4.095 1.545 397 HD1 TYR 53 1HD TYR 53 11.232 -2.831 1.572 398 HD2 TYR 53 2HD TYR 53 7.683 -1.245 -0.159 399 HE1 TYR 53 1HE TYR 53 12.183 -0.567 1.711 400 HE2 TYR 53 2HE TYR 53 8.625 1.023 -0.026 401 HH TYR 53 HH TYR 53 11.875 1.634 0.555 402 H PHE 54 H PHE 54 7.125 -5.587 -0.552 403 HA PHE 54 HA PHE 54 8.286 -8.262 -0.161 404 HB2 PHE 54 1HB PHE 54 5.720 -7.337 1.136 405 HB3 PHE 54 2HB PHE 54 6.578 -8.848 1.416 406 HD1 PHE 54 1HD PHE 54 9.107 -8.489 2.198 407 HD2 PHE 54 2HD PHE 54 5.937 -5.696 2.715 408 HE1 PHE 54 1HE PHE 54 10.332 -7.449 4.062 409 HE2 PHE 54 2HE PHE 54 7.157 -4.651 4.578 410 HZ PHE 54 HZ PHE 54 9.357 -5.527 5.254 411 HA PRO 55 HA PRO 55 5.734 -8.551 -3.904 412 HB2 PRO 55 1HB PRO 55 7.046 -10.720 -4.878 413 HB3 PRO 55 2HB PRO 55 7.644 -9.068 -5.072 414 HG2 PRO 55 1HG PRO 55 8.453 -11.154 -3.083 415 HG3 PRO 55 2HG PRO 55 9.472 -10.039 -4.013 416 HD2 PRO 55 1HD PRO 55 8.822 -9.601 -1.421 417 HD3 PRO 55 2HD PRO 55 9.073 -8.279 -2.580 418 H LYS 56 H LYS 56 6.448 -10.849 -1.394 419 HA LYS 56 HA LYS 56 4.550 -12.821 -2.280 420 HB2 LYS 56 1HB LYS 56 5.042 -13.947 -0.172 421 HB3 LYS 56 2HB LYS 56 6.530 -13.459 -0.974 422 HG2 LYS 56 1HG LYS 56 6.981 -11.808 0.580 423 HG3 LYS 56 2HG LYS 56 5.299 -11.701 1.105 424 HD2 LYS 56 1HD LYS 56 5.451 -13.620 2.403 425 HD3 LYS 56 2HD LYS 56 6.854 -14.226 1.519 426 HE2 LYS 56 1HE LYS 56 7.596 -13.490 3.669 427 HE3 LYS 56 2HE LYS 56 8.176 -12.336 2.469 428 HZ1 LYS 56 3HZ LYS 56 6.278 -11.966 4.624 429 HZ2 LYS 56 1HZ LYS 56 5.835 -11.249 3.156 430 HZ3 LYS 56 2HZ LYS 56 7.308 -10.847 3.883 431 H MET 57 H MET 57 4.555 -10.077 -0.116 432 HA MET 57 HA MET 57 2.192 -10.667 1.302 433 HB2 MET 57 1HB MET 57 3.699 -8.136 0.724 434 HB3 MET 57 2HB MET 57 2.148 -8.079 1.552 435 HG2 MET 57 1HG MET 57 4.236 -9.929 2.575 436 HG3 MET 57 2HG MET 57 4.411 -8.201 2.876 437 HE1 MET 57 3HE MET 57 3.138 -7.385 5.567 438 HE2 MET 57 1HE MET 57 3.013 -6.787 3.912 439 HE3 MET 57 2HE MET 57 1.551 -7.111 4.844 440 H VAL 58 H VAL 58 2.748 -8.663 -1.586 441 HA VAL 58 HA VAL 58 -0.046 -8.141 -1.966 442 HB VAL 58 HB VAL 58 2.289 -7.723 -3.836 443 HG11 VAL 58 1HG1 VAL 58 0.819 -7.236 -5.425 444 HG12 VAL 58 2HG1 VAL 58 -0.513 -7.615 -4.331 445 HG13 VAL 58 3HG1 VAL 58 0.135 -5.976 -4.397 446 HG21 VAL 58 3HG2 VAL 58 2.197 -6.463 -1.612 447 HG22 VAL 58 1HG2 VAL 58 2.380 -5.506 -3.082 448 HG23 VAL 58 2HG2 VAL 58 0.807 -5.616 -2.291 449 H GLU 59 H GLU 59 -1.473 -9.105 -3.333 450 HA GLU 59 HA GLU 59 -0.530 -11.527 -4.722 451 HB2 GLU 59 1HB GLU 59 -2.205 -11.654 -2.712 452 HB3 GLU 59 2HB GLU 59 -3.387 -11.143 -3.909 453 HG2 GLU 59 1HG GLU 59 -3.267 -13.104 -5.076 454 HG3 GLU 59 2HG GLU 59 -1.619 -13.444 -4.551 455 H MET 60 H MET 60 -2.979 -8.950 -4.841 456 HA MET 60 HA MET 60 -3.989 -7.888 -6.580 457 HB2 MET 60 1HB MET 60 -1.381 -8.742 -7.738 458 HB3 MET 60 2HB MET 60 -2.615 -8.155 -8.844 459 HG2 MET 60 1HG MET 60 -1.677 -6.624 -6.434 460 HG3 MET 60 2HG MET 60 -0.986 -6.439 -8.045 461 HE1 MET 60 3HE MET 60 -3.104 -4.227 -5.910 462 HE2 MET 60 1HE MET 60 -4.753 -4.686 -6.334 463 HE3 MET 60 2HE MET 60 -3.667 -5.872 -5.611 464 H HIS 61 H HIS 61 -4.996 -10.375 -5.968 465 HA HIS 61 HA HIS 61 -5.735 -11.420 -8.622 466 HB2 HIS 61 1HB HIS 61 -5.205 -12.874 -6.044 467 HB3 HIS 61 2HB HIS 61 -6.233 -13.584 -7.286 468 HD1 HIS 61 1HD HIS 61 -4.558 -15.484 -7.746 469 HD2 HIS 61 2HD HIS 61 -3.007 -11.681 -8.374 470 HE1 HIS 61 1HE HIS 61 -2.393 -15.836 -8.976 471 HE2 HIS 61 2HE HIS 61 -1.431 -13.526 -9.270 472 H ASN 62 H ASN 62 -6.785 -10.571 -5.387 473 HA ASN 62 HA ASN 62 -9.574 -11.100 -6.084 474 HB2 ASN 62 1HB ASN 62 -8.635 -10.020 -3.439 475 HB3 ASN 62 2HB ASN 62 -10.072 -10.975 -3.793 476 HD21 ASN 62 1HD2 ASN 62 -6.618 -11.047 -3.345 477 HD22 ASN 62 2HD2 ASN 62 -6.487 -12.752 -3.097 478 H TYR 63 H TYR 63 -7.398 -8.453 -5.282 479 HA TYR 63 HA TYR 63 -9.406 -6.438 -5.194 480 HB2 TYR 63 1HB TYR 63 -6.455 -6.085 -5.748 481 HB3 TYR 63 2HB TYR 63 -7.574 -4.860 -5.162 482 HD1 TYR 63 2HD TYR 63 -8.702 -5.320 -2.877 483 HD2 TYR 63 1HD TYR 63 -5.214 -7.344 -4.233 484 HE1 TYR 63 2HE TYR 63 -8.159 -5.927 -0.556 485 HE2 TYR 63 1HE TYR 63 -4.662 -7.958 -1.916 486 HH TYR 63 HH TYR 63 -5.735 -8.220 0.224 487 H VAL 64 H VAL 64 -10.216 -5.153 -6.762 488 HA VAL 64 HA VAL 64 -9.064 -5.310 -9.456 489 HB VAL 64 HB VAL 64 -11.986 -5.730 -8.812 490 HG11 VAL 64 1HG1 VAL 64 -12.455 -5.705 -11.122 491 HG12 VAL 64 2HG1 VAL 64 -11.470 -4.271 -10.825 492 HG13 VAL 64 3HG1 VAL 64 -10.745 -5.707 -11.550 493 HG21 VAL 64 3HG2 VAL 64 -11.477 -7.849 -10.207 494 HG22 VAL 64 1HG2 VAL 64 -9.793 -7.509 -9.807 495 HG23 VAL 64 2HG2 VAL 64 -10.964 -7.796 -8.521 496 HA PRO 65 HA PRO 65 -9.618 -0.933 -9.262 497 HB2 PRO 65 1HB PRO 65 -9.256 -0.394 -11.898 498 HB3 PRO 65 2HB PRO 65 -7.926 -0.813 -10.812 499 HG2 PRO 65 1HG PRO 65 -9.405 -2.547 -12.753 500 HG3 PRO 65 2HG PRO 65 -7.663 -2.462 -12.431 501 HD2 PRO 65 1HD PRO 65 -9.242 -4.408 -11.403 502 HD3 PRO 65 2HD PRO 65 -7.821 -3.778 -10.545 503 H ALA 66 H ALA 66 -11.793 -0.703 -8.729 504 HA ALA 66 HA ALA 66 -13.658 -0.575 -11.009 505 HB1 ALA 66 3HB ALA 66 -14.063 -2.306 -9.156 506 HB2 ALA 66 1HB ALA 66 -14.542 -0.926 -8.166 507 HB3 ALA 66 2HB ALA 66 -15.416 -1.290 -9.654 508 H ASN 67 H ASN 67 -15.493 0.989 -10.642 509 HA ASN 67 HA ASN 67 -14.384 3.493 -9.591 510 HB2 ASN 67 1HB ASN 67 -16.435 4.423 -10.937 511 HB3 ASN 67 2HB ASN 67 -14.980 3.916 -11.790 512 HD21 ASN 67 1HD2 ASN 67 -14.991 1.957 -12.926 513 HD22 ASN 67 2HD2 ASN 67 -16.468 1.200 -13.405 514 H SER 68 H SER 68 -17.252 1.437 -9.477 515 HA SER 68 HA SER 68 -19.002 2.935 -8.016 516 HB2 SER 68 1HB SER 68 -18.447 0.004 -7.503 517 HB3 SER 68 2HB SER 68 -19.953 0.866 -7.186 518 HG SER 68 HG SER 68 -20.439 0.811 -9.257 519 H LEU 69 H LEU 69 -19.309 3.502 -5.902 520 HA LEU 69 HA LEU 69 -17.049 3.844 -4.267 521 HB2 LEU 69 1HB LEU 69 -19.036 5.278 -4.178 522 HB3 LEU 69 2HB LEU 69 -19.967 3.939 -3.511 523 HG LEU 69 HG LEU 69 -18.367 3.979 -1.548 524 HD11 LEU 69 1HD1 LEU 69 -17.092 5.910 -3.194 525 HD12 LEU 69 2HD1 LEU 69 -16.599 5.310 -1.611 526 HD13 LEU 69 3HD1 LEU 69 -17.659 6.714 -1.730 527 HD21 LEU 69 3HD2 LEU 69 -20.170 6.321 -2.128 528 HD22 LEU 69 1HD2 LEU 69 -19.476 5.983 -0.542 529 HD23 LEU 69 2HD2 LEU 69 -20.580 4.826 -1.285 530 H GLN 70 H GLN 70 -19.771 1.570 -4.023 531 HA GLN 70 HA GLN 70 -19.115 0.304 -1.663 532 HB2 GLN 70 1HB GLN 70 -20.384 -0.757 -4.181 533 HB3 GLN 70 2HB GLN 70 -20.205 -1.743 -2.736 534 HG2 GLN 70 1HG GLN 70 -21.431 0.153 -1.527 535 HG3 GLN 70 2HG GLN 70 -21.879 0.704 -3.141 536 HE21 GLN 70 1HE2 GLN 70 -22.550 -1.452 -0.614 537 HE22 GLN 70 2HE2 GLN 70 -23.797 -2.358 -1.394 538 H GLN 71 H GLN 71 -17.976 -0.478 -4.937 539 HA GLN 71 HA GLN 71 -16.432 -2.704 -4.309 540 HB2 GLN 71 1HB GLN 71 -16.407 -0.683 -6.496 541 HB3 GLN 71 2HB GLN 71 -15.006 -1.734 -6.337 542 HG2 GLN 71 1HG GLN 71 -17.697 -2.983 -6.326 543 HG3 GLN 71 2HG GLN 71 -17.066 -2.370 -7.853 544 HE21 GLN 71 1HE2 GLN 71 -16.392 -4.540 -5.169 545 HE22 GLN 71 2HE2 GLN 71 -15.375 -5.619 -6.055 546 H LYS 72 H LYS 72 -15.411 0.701 -4.529 547 HA LYS 72 HA LYS 72 -12.758 0.503 -3.947 548 HB2 LYS 72 1HB LYS 72 -14.680 2.565 -2.853 549 HB3 LYS 72 2HB LYS 72 -12.930 2.737 -2.900 550 HG2 LYS 72 1HG LYS 72 -14.302 2.146 -5.457 551 HG3 LYS 72 2HG LYS 72 -14.521 3.756 -4.765 552 HD2 LYS 72 1HD LYS 72 -12.645 4.015 -6.114 553 HD3 LYS 72 2HD LYS 72 -11.948 3.745 -4.515 554 HE2 LYS 72 1HE LYS 72 -12.448 1.366 -6.216 555 HE3 LYS 72 2HE LYS 72 -11.121 2.431 -6.678 556 HZ1 LYS 72 3HZ LYS 72 -10.845 0.449 -4.948 557 HZ2 LYS 72 1HZ LYS 72 -11.262 1.684 -3.869 558 HZ3 LYS 72 2HZ LYS 72 -9.915 1.860 -4.876 559 H LEU 73 H LEU 73 -15.148 1.214 -1.395 560 HA LEU 73 HA LEU 73 -13.505 0.728 0.772 561 HB2 LEU 73 1HB LEU 73 -16.449 0.647 0.343 562 HB3 LEU 73 2HB LEU 73 -15.804 0.030 1.862 563 HG LEU 73 HG LEU 73 -15.186 2.799 0.865 564 HD11 LEU 73 1HD1 LEU 73 -17.410 3.144 1.079 565 HD12 LEU 73 2HD1 LEU 73 -16.987 3.254 2.788 566 HD13 LEU 73 3HD1 LEU 73 -17.640 1.751 2.136 567 HD21 LEU 73 3HD2 LEU 73 -13.860 1.562 2.710 568 HD22 LEU 73 1HD2 LEU 73 -15.286 1.857 3.704 569 HD23 LEU 73 2HD2 LEU 73 -14.401 3.214 3.007 570 H SER 74 H SER 74 -15.729 -1.550 -0.820 571 HA SER 74 HA SER 74 -15.402 -3.774 0.728 572 HB2 SER 74 1HB SER 74 -16.767 -3.410 -1.469 573 HB3 SER 74 2HB SER 74 -15.335 -4.069 -2.259 574 HG SER 74 HG SER 74 -16.698 -5.355 -0.130 575 H ASN 75 H ASN 75 -13.167 -2.483 -1.658 576 HA ASN 75 HA ASN 75 -11.379 -4.723 -1.538 577 HB2 ASN 75 1HB ASN 75 -11.245 -1.983 -2.769 578 HB3 ASN 75 2HB ASN 75 -9.818 -3.014 -2.712 579 HD21 ASN 75 1HD2 ASN 75 -10.804 -2.207 -5.104 580 HD22 ASN 75 2HD2 ASN 75 -11.515 -3.543 -5.937 581 H TRP 76 H TRP 76 -11.344 -1.413 -0.247 582 HA TRP 76 HA TRP 76 -8.867 -1.499 1.018 583 HB2 TRP 76 1HB TRP 76 -11.356 0.093 1.368 584 HB3 TRP 76 2HB TRP 76 -10.176 0.141 2.675 585 HD1 TRP 76 HD TRP 76 -10.811 1.432 -0.815 586 HE1 TRP 76 1HE TRP 76 -8.916 3.040 -1.488 587 HE3 TRP 76 3HE TRP 76 -7.579 0.538 3.044 588 HZ2 TRP 76 2HZ TRP 76 -6.386 3.824 -0.512 589 HZ3 TRP 76 3HZ TRP 76 -5.443 1.758 3.100 590 HH2 TRP 76 HH TRP 76 -4.860 3.366 1.358 591 H GLY 77 H GLY 77 -12.078 -2.150 2.441 592 HA2 GLY 77 1HA GLY 77 -11.423 -2.794 4.998 593 HA3 GLY 77 2HA GLY 77 -12.671 -3.644 4.098 594 H HIS 78 H HIS 78 -11.044 -4.908 2.183 595 HA HIS 78 HA HIS 78 -10.217 -7.187 3.652 596 HB2 HIS 78 1HB HIS 78 -9.627 -6.486 0.769 597 HB3 HIS 78 2HB HIS 78 -9.502 -8.085 1.495 598 HD1 HIS 78 1HD HIS 78 -12.457 -6.235 2.605 599 HD2 HIS 78 2HD HIS 78 -11.468 -8.787 -0.520 600 HE1 HIS 78 1HE HIS 78 -14.651 -6.995 1.638 601 HE2 HIS 78 2HE HIS 78 -14.028 -8.605 -0.196 602 H LEU 79 H LEU 79 -8.390 -4.727 1.842 603 HA LEU 79 HA LEU 79 -5.832 -5.715 2.303 604 HB2 LEU 79 1HB LEU 79 -6.722 -3.709 0.867 605 HB3 LEU 79 2HB LEU 79 -6.327 -2.773 2.307 606 HG LEU 79 HG LEU 79 -3.999 -4.030 2.004 607 HD11 LEU 79 1HD1 LEU 79 -5.010 -5.205 -0.039 608 HD12 LEU 79 2HD1 LEU 79 -3.406 -4.490 -0.202 609 HD13 LEU 79 3HD1 LEU 79 -4.815 -3.654 -0.855 610 HD21 LEU 79 3HD2 LEU 79 -3.882 -1.905 0.148 611 HD22 LEU 79 1HD2 LEU 79 -3.431 -1.892 1.853 612 HD23 LEU 79 2HD2 LEU 79 -5.074 -1.464 1.372 613 H ASN 80 H ASN 80 -8.048 -4.483 4.529 614 HA ASN 80 HA ASN 80 -6.111 -3.449 6.404 615 HB2 ASN 80 1HB ASN 80 -8.471 -2.582 6.191 616 HB3 ASN 80 2HB ASN 80 -9.020 -4.091 6.915 617 HD21 ASN 80 1HD2 ASN 80 -8.810 -1.094 7.689 618 HD22 ASN 80 2HD2 ASN 80 -8.244 -1.164 9.320 619 H ARG 81 H ARG 81 -7.604 -6.476 5.697 620 HA ARG 81 HA ARG 81 -6.552 -7.608 8.204 621 HB2 ARG 81 1HB ARG 81 -8.845 -8.421 6.437 622 HB3 ARG 81 2HB ARG 81 -8.109 -9.563 7.553 623 HG2 ARG 81 1HG ARG 81 -8.536 -7.746 9.335 624 HG3 ARG 81 2HG ARG 81 -9.658 -7.078 8.148 625 HD2 ARG 81 1HD ARG 81 -11.041 -8.460 9.368 626 HD3 ARG 81 2HD ARG 81 -10.563 -9.518 8.041 627 HE ARG 81 HE ARG 81 -8.778 -9.810 10.210 628 HH11 ARG 81 1HH1 ARG 81 -12.022 -10.597 9.223 629 HH12 ARG 81 2HH1 ARG 81 -12.119 -12.014 10.214 630 HH21 ARG 81 1HH2 ARG 81 -8.893 -11.674 11.519 631 HH22 ARG 81 2HH2 ARG 81 -10.340 -12.625 11.521 632 H LYS 82 H LYS 82 -6.260 -7.569 4.796 633 HA LYS 82 HA LYS 82 -4.810 -10.097 4.699 634 HB2 LYS 82 1HB LYS 82 -5.882 -8.191 2.662 635 HB3 LYS 82 2HB LYS 82 -4.562 -9.261 2.207 636 HG2 LYS 82 1HG LYS 82 -6.363 -10.518 1.585 637 HG3 LYS 82 2HG LYS 82 -6.112 -11.107 3.229 638 HD2 LYS 82 1HD LYS 82 -7.973 -10.038 4.042 639 HD3 LYS 82 2HD LYS 82 -7.917 -8.774 2.811 640 HE2 LYS 82 1HE LYS 82 -9.720 -9.977 2.077 641 HE3 LYS 82 2HE LYS 82 -8.427 -10.788 1.196 642 HZ1 LYS 82 3HZ LYS 82 -9.863 -11.713 3.608 643 HZ2 LYS 82 1HZ LYS 82 -8.365 -12.366 3.169 644 HZ3 LYS 82 2HZ LYS 82 -9.686 -12.499 2.121 645 H VAL 83 H VAL 83 -4.247 -6.643 4.540 646 HA VAL 83 HA VAL 83 -1.355 -7.155 4.292 647 HB VAL 83 HB VAL 83 -2.951 -4.698 3.566 648 HG11 VAL 83 1HG1 VAL 83 -1.007 -3.764 4.414 649 HG12 VAL 83 2HG1 VAL 83 -0.003 -5.112 3.877 650 HG13 VAL 83 3HG1 VAL 83 -0.627 -3.953 2.702 651 HG21 VAL 83 3HG2 VAL 83 -1.985 -5.151 1.310 652 HG22 VAL 83 1HG2 VAL 83 -1.351 -6.671 1.942 653 HG23 VAL 83 2HG2 VAL 83 -3.093 -6.399 1.882 654 H LEU 84 H LEU 84 -3.187 -4.358 5.485 655 HA LEU 84 HA LEU 84 -1.581 -3.371 7.360 656 HB2 LEU 84 1HB LEU 84 -4.516 -3.898 7.806 657 HB3 LEU 84 2HB LEU 84 -3.536 -2.734 8.697 658 HG LEU 84 HG LEU 84 -4.290 -2.605 5.779 659 HD11 LEU 84 1HD1 LEU 84 -4.933 -0.406 7.609 660 HD12 LEU 84 2HD1 LEU 84 -5.790 -1.913 7.931 661 HD13 LEU 84 3HD1 LEU 84 -5.905 -1.155 6.342 662 HD21 LEU 84 3HD2 LEU 84 -2.233 -1.192 7.367 663 HD22 LEU 84 1HD2 LEU 84 -3.216 -0.210 6.282 664 HD23 LEU 84 2HD2 LEU 84 -2.283 -1.563 5.643 665 H LYS 85 H LYS 85 -3.793 -6.082 8.041 666 HA LYS 85 HA LYS 85 -3.229 -6.621 10.639 667 HB2 LYS 85 1HB LYS 85 -4.730 -7.894 8.956 668 HB3 LYS 85 2HB LYS 85 -3.301 -8.872 8.648 669 HG2 LYS 85 1HG LYS 85 -4.572 -10.038 10.250 670 HG3 LYS 85 2HG LYS 85 -3.217 -9.322 11.126 671 HD2 LYS 85 1HD LYS 85 -4.550 -7.782 12.198 672 HD3 LYS 85 2HD LYS 85 -5.780 -7.807 10.932 673 HE2 LYS 85 1HE LYS 85 -6.830 -8.940 12.650 674 HE3 LYS 85 2HE LYS 85 -6.148 -10.261 11.703 675 HZ1 LYS 85 3HZ LYS 85 -4.916 -9.082 14.135 676 HZ2 LYS 85 1HZ LYS 85 -4.300 -10.378 13.238 677 HZ3 LYS 85 2HZ LYS 85 -5.758 -10.548 14.077 678 H ARG 86 H ARG 86 -1.347 -7.832 7.867 679 HA ARG 86 HA ARG 86 0.604 -9.188 9.345 680 HB2 ARG 86 1HB ARG 86 0.983 -7.825 6.674 681 HB3 ARG 86 2HB ARG 86 1.948 -9.142 7.328 682 HG2 ARG 86 1HG ARG 86 -0.973 -9.316 6.619 683 HG3 ARG 86 2HG ARG 86 0.361 -9.896 5.620 684 HD2 ARG 86 1HD ARG 86 1.015 -11.250 7.735 685 HD3 ARG 86 2HD ARG 86 -0.650 -10.950 8.231 686 HE ARG 86 HE ARG 86 -1.324 -12.518 6.721 687 HH11 ARG 86 1HH1 ARG 86 1.864 -11.428 5.844 688 HH12 ARG 86 2HH1 ARG 86 2.048 -12.579 4.563 689 HH21 ARG 86 1HH2 ARG 86 -1.094 -14.039 5.036 690 HH22 ARG 86 2HH2 ARG 86 0.364 -14.063 4.104 691 H LEU 87 H LEU 87 0.253 -5.808 8.540 692 HA LEU 87 HA LEU 87 2.915 -5.173 9.539 693 HB2 LEU 87 1HB LEU 87 0.734 -3.427 8.409 694 HB3 LEU 87 2HB LEU 87 2.320 -2.850 8.917 695 HG LEU 87 HG LEU 87 2.180 -4.989 6.848 696 HD11 LEU 87 1HD1 LEU 87 1.917 -3.357 5.079 697 HD12 LEU 87 2HD1 LEU 87 1.724 -2.067 6.265 698 HD13 LEU 87 3HD1 LEU 87 0.507 -3.336 6.138 699 HD21 LEU 87 3HD2 LEU 87 4.236 -4.105 6.156 700 HD22 LEU 87 1HD2 LEU 87 4.292 -4.030 7.918 701 HD23 LEU 87 2HD2 LEU 87 3.957 -2.572 6.984 702 H ASN 88 H ASN 88 0.783 -6.242 11.294 703 HA ASN 88 HA ASN 88 -0.285 -5.799 13.278 704 HB2 ASN 88 1HB ASN 88 2.295 -5.796 13.677 705 HB3 ASN 88 2HB ASN 88 2.075 -4.070 13.947 706 HD21 ASN 88 1HD2 ASN 88 0.606 -3.415 15.629 707 HD22 ASN 88 2HD2 ASN 88 0.368 -4.439 17.000 708 H PHE 89 H PHE 89 -1.028 -3.976 11.196 709 HA PHE 89 HA PHE 89 -1.413 -1.474 12.697 710 HB2 PHE 89 1HB PHE 89 -0.344 -1.571 10.306 711 HB3 PHE 89 2HB PHE 89 -2.013 -1.739 9.772 712 HD1 PHE 89 2HD PHE 89 -3.603 0.080 10.067 713 HD2 PHE 89 1HD PHE 89 0.474 0.492 11.217 714 HE1 PHE 89 2HE PHE 89 -3.887 2.521 10.187 715 HE2 PHE 89 1HE PHE 89 0.197 2.933 11.340 716 HZ PHE 89 HZ PHE 89 -1.986 3.951 10.824 717 H SER 90 H SER 90 -3.518 -0.398 12.424 718 HA SER 90 HA SER 90 -5.766 -2.038 11.636 719 HB2 SER 90 1HB SER 90 -6.871 -1.764 13.897 720 HB3 SER 90 2HB SER 90 -5.521 -2.897 13.856 721 HG SER 90 HG SER 90 -5.021 -0.216 14.495 722 H VAL 91 H VAL 91 -7.371 -0.808 10.869 723 HA VAL 91 HA VAL 91 -7.425 2.041 11.618 724 HB VAL 91 HB VAL 91 -7.846 0.907 8.849 725 HG11 VAL 91 1HG1 VAL 91 -8.474 3.000 8.102 726 HG12 VAL 91 2HG1 VAL 91 -9.265 2.925 9.677 727 HG13 VAL 91 3HG1 VAL 91 -7.760 3.825 9.487 728 HG21 VAL 91 3HG2 VAL 91 -5.773 2.932 9.571 729 HG22 VAL 91 1HG2 VAL 91 -5.470 1.222 9.883 730 HG23 VAL 91 2HG2 VAL 91 -5.797 1.774 8.240 731 HA PRO 92 HA PRO 92 -11.668 1.279 12.559 732 HB2 PRO 92 1HB PRO 92 -12.526 3.854 12.596 733 HB3 PRO 92 2HB PRO 92 -11.544 3.150 13.887 734 HG2 PRO 92 1HG PRO 92 -10.700 4.880 11.594 735 HG3 PRO 92 2HG PRO 92 -10.201 4.954 13.294 736 HD2 PRO 92 1HD PRO 92 -8.671 3.811 11.375 737 HD3 PRO 92 2HD PRO 92 -8.685 3.235 13.055 738 H ASP 93 H ASP 93 -13.785 1.484 11.652 739 HA ASP 93 HA ASP 93 -13.828 1.357 8.817 740 HB2 ASP 93 1HB ASP 93 -15.920 1.270 10.964 741 HB3 ASP 93 2HB ASP 93 -16.404 1.411 9.277 742 H ASP 94 H ASP 94 -14.008 3.948 11.002 743 HA ASP 94 HA ASP 94 -15.636 5.694 9.416 744 HB2 ASP 94 1HB ASP 94 -13.667 6.577 11.519 745 HB3 ASP 94 2HB ASP 94 -15.168 7.358 11.029 746 H VAL 95 H VAL 95 -12.154 5.292 9.941 747 HA VAL 95 HA VAL 95 -11.321 7.454 8.336 748 HB VAL 95 HB VAL 95 -9.945 4.940 9.242 749 HG11 VAL 95 1HG1 VAL 95 -7.848 6.212 8.360 750 HG12 VAL 95 2HG1 VAL 95 -8.803 5.221 7.256 751 HG13 VAL 95 3HG1 VAL 95 -9.003 6.974 7.267 752 HG21 VAL 95 3HG2 VAL 95 -10.430 7.400 10.437 753 HG22 VAL 95 1HG2 VAL 95 -9.283 6.173 10.975 754 HG23 VAL 95 2HG2 VAL 95 -8.745 7.484 9.925 755 H MET 96 H MET 96 -12.298 4.198 7.577 756 HA MET 96 HA MET 96 -11.174 4.052 4.981 757 HB2 MET 96 1HB MET 96 -13.475 2.599 6.283 758 HB3 MET 96 2HB MET 96 -12.929 2.248 4.649 759 HG2 MET 96 1HG MET 96 -10.599 1.989 5.827 760 HG3 MET 96 2HG MET 96 -11.598 1.713 7.252 761 HE1 MET 96 3HE MET 96 -13.197 -1.022 7.342 762 HE2 MET 96 1HE MET 96 -11.594 -1.757 7.291 763 HE3 MET 96 2HE MET 96 -11.814 -0.174 8.035 764 H ARG 97 H ARG 97 -14.433 4.900 6.129 765 HA ARG 97 HA ARG 97 -15.722 5.297 3.742 766 HB2 ARG 97 1HB ARG 97 -15.964 7.004 6.227 767 HB3 ARG 97 2HB ARG 97 -17.139 6.931 4.921 768 HG2 ARG 97 1HG ARG 97 -16.363 4.434 6.358 769 HG3 ARG 97 2HG ARG 97 -17.516 5.554 7.086 770 HD2 ARG 97 1HD ARG 97 -18.822 5.433 4.939 771 HD3 ARG 97 2HD ARG 97 -17.749 4.124 4.447 772 HE ARG 97 HE ARG 97 -19.906 3.975 6.328 773 HH11 ARG 97 1HH1 ARG 97 -16.845 2.600 5.401 774 HH12 ARG 97 2HH1 ARG 97 -17.172 1.058 6.118 775 HH21 ARG 97 1HH2 ARG 97 -20.349 1.948 7.276 776 HH22 ARG 97 2HH2 ARG 97 -19.166 0.688 7.184 777 H LYS 98 H LYS 98 -13.473 7.464 5.376 778 HA LYS 98 HA LYS 98 -13.848 9.677 3.643 779 HB2 LYS 98 1HB LYS 98 -11.572 8.906 5.471 780 HB3 LYS 98 2HB LYS 98 -11.620 10.420 4.576 781 HG2 LYS 98 1HG LYS 98 -13.262 11.306 5.885 782 HG3 LYS 98 2HG LYS 98 -13.952 9.730 6.279 783 HD2 LYS 98 1HD LYS 98 -12.126 9.259 7.787 784 HD3 LYS 98 2HD LYS 98 -11.310 10.753 7.318 785 HE2 LYS 98 1HE LYS 98 -12.314 11.444 9.250 786 HE3 LYS 98 2HE LYS 98 -13.587 11.833 8.094 787 HZ1 LYS 98 3HZ LYS 98 -14.023 9.216 8.823 788 HZ2 LYS 98 1HZ LYS 98 -14.917 10.567 9.310 789 HZ3 LYS 98 2HZ LYS 98 -13.640 10.008 10.268 790 H ILE 99 H ILE 99 -11.120 7.385 3.870 791 HA ILE 99 HA ILE 99 -9.672 8.145 1.686 792 HB ILE 99 HB ILE 99 -10.182 5.302 2.569 793 HG12 ILE 99 1HG1 ILE 99 -7.818 7.046 3.247 794 HG13 ILE 99 2HG1 ILE 99 -9.261 6.999 4.254 795 HG21 ILE 99 1HG2 ILE 99 -8.909 4.649 0.874 796 HG22 ILE 99 2HG2 ILE 99 -8.745 6.320 0.335 797 HG23 ILE 99 3HG2 ILE 99 -7.591 5.648 1.487 798 HD11 ILE 99 3HD1 ILE 99 -7.424 5.532 5.032 799 HD12 ILE 99 1HD1 ILE 99 -8.935 4.678 4.716 800 HD13 ILE 99 2HD1 ILE 99 -7.610 4.586 3.556 801 H ALA 100 H ALA 100 -12.422 5.894 1.697 802 HA ALA 100 HA ALA 100 -12.381 5.359 -1.077 803 HB1 ALA 100 3HB ALA 100 -14.283 4.126 -0.731 804 HB2 ALA 100 1HB ALA 100 -13.620 4.165 0.903 805 HB3 ALA 100 2HB ALA 100 -14.932 5.256 0.458 806 H GLN 101 H GLN 101 -13.699 7.964 0.812 807 HA GLN 101 HA GLN 101 -15.417 8.942 -1.283 808 HB2 GLN 101 1HB GLN 101 -14.610 9.944 1.428 809 HB3 GLN 101 2HB GLN 101 -15.456 11.001 0.306 810 HG2 GLN 101 1HG GLN 101 -16.539 8.299 0.997 811 HG3 GLN 101 2HG GLN 101 -16.822 9.693 2.037 812 HE21 GLN 101 1HE2 GLN 101 -18.333 7.908 -0.080 813 HE22 GLN 101 2HE2 GLN 101 -19.297 9.079 -0.907 814 H CYS 102 H CYS 102 -12.231 8.773 -1.201 815 HA CYS 102 HA CYS 102 -10.519 9.863 -2.224 816 HB2 CYS 102 1HB CYS 102 -12.898 11.071 -3.607 817 HB3 CYS 102 2HB CYS 102 -11.269 11.625 -3.976 818 HG CYS 102 HG CYS 102 -11.936 8.301 -4.146 819 H ALA 103 H ALA 103 -10.787 10.705 0.254 820 HA ALA 103 HA ALA 103 -10.967 13.624 0.264 821 HB1 ALA 103 3HB ALA 103 -11.000 13.476 2.661 822 HB2 ALA 103 1HB ALA 103 -12.149 12.308 2.007 823 HB3 ALA 103 2HB ALA 103 -10.581 11.764 2.604 824 HA PRO 104 HA PRO 104 -6.539 13.865 -0.076 825 HB2 PRO 104 1HB PRO 104 -6.371 16.558 0.225 826 HB3 PRO 104 2HB PRO 104 -6.895 15.790 -1.278 827 HG2 PRO 104 1HG PRO 104 -8.546 17.004 0.904 828 HG3 PRO 104 2HG PRO 104 -8.735 17.147 -0.853 829 HD2 PRO 104 1HD PRO 104 -10.242 15.466 0.643 830 HD3 PRO 104 2HD PRO 104 -9.783 15.101 -1.033 831 H GLY 105 H GLY 105 -5.233 13.293 1.542 832 HA2 GLY 105 1HA GLY 105 -3.948 14.113 3.453 833 HA3 GLY 105 2HA GLY 105 -5.448 14.772 4.090 834 H VAL 106 H VAL 106 -7.225 12.859 4.106 835 HA VAL 106 HA VAL 106 -6.699 11.270 6.264 836 HB VAL 106 HB VAL 106 -8.514 10.489 3.978 837 HG11 VAL 106 1HG1 VAL 106 -9.400 8.890 5.294 838 HG12 VAL 106 2HG1 VAL 106 -7.838 8.972 6.111 839 HG13 VAL 106 3HG1 VAL 106 -9.222 9.850 6.762 840 HG21 VAL 106 3HG2 VAL 106 -10.224 11.580 5.634 841 HG22 VAL 106 1HG2 VAL 106 -8.805 12.464 6.196 842 HG23 VAL 106 2HG2 VAL 106 -9.308 12.584 4.510 843 H VAL 107 H VAL 107 -6.494 10.246 2.855 844 HA VAL 107 HA VAL 107 -5.522 7.657 3.382 845 HB VAL 107 HB VAL 107 -6.496 8.395 1.207 846 HG11 VAL 107 1HG1 VAL 107 -5.177 9.597 -0.386 847 HG12 VAL 107 2HG1 VAL 107 -5.221 10.540 1.105 848 HG13 VAL 107 3HG1 VAL 107 -3.783 9.604 0.695 849 HG21 VAL 107 3HG2 VAL 107 -3.983 7.364 0.228 850 HG22 VAL 107 1HG2 VAL 107 -4.476 6.544 1.710 851 HG23 VAL 107 2HG2 VAL 107 -5.560 6.580 0.319 852 H GLU 108 H GLU 108 -3.817 10.655 2.508 853 HA GLU 108 HA GLU 108 -1.232 9.671 2.399 854 HB2 GLU 108 1HB GLU 108 -2.190 12.060 1.943 855 HB3 GLU 108 2HB GLU 108 -1.779 12.349 3.627 856 HG2 GLU 108 1HG GLU 108 0.285 11.187 1.829 857 HG3 GLU 108 2HG GLU 108 -0.094 12.904 1.701 858 H LEU 109 H LEU 109 -3.087 10.753 5.209 859 HA LEU 109 HA LEU 109 -1.059 10.637 7.122 860 HB2 LEU 109 1HB LEU 109 -4.018 10.136 7.377 861 HB3 LEU 109 2HB LEU 109 -2.924 10.274 8.752 862 HG LEU 109 HG LEU 109 -3.301 12.480 6.738 863 HD11 LEU 109 1HD1 LEU 109 -5.326 11.584 8.291 864 HD12 LEU 109 2HD1 LEU 109 -5.124 13.262 7.790 865 HD13 LEU 109 3HD1 LEU 109 -4.561 12.742 9.379 866 HD21 LEU 109 3HD2 LEU 109 -1.986 12.222 9.419 867 HD22 LEU 109 1HD2 LEU 109 -2.533 13.787 8.817 868 HD23 LEU 109 2HD2 LEU 109 -1.329 12.867 7.914 869 H VAL 110 H VAL 110 -2.778 8.114 5.514 870 HA VAL 110 HA VAL 110 -1.961 6.095 7.452 871 HB VAL 110 HB VAL 110 -3.356 5.573 4.836 872 HG11 VAL 110 1HG1 VAL 110 -3.811 4.043 7.346 873 HG12 VAL 110 2HG1 VAL 110 -3.847 3.499 5.667 874 HG13 VAL 110 3HG1 VAL 110 -2.302 3.789 6.469 875 HG21 VAL 110 3HG2 VAL 110 -4.795 6.015 7.434 876 HG22 VAL 110 1HG2 VAL 110 -4.493 7.335 6.304 877 HG23 VAL 110 2HG2 VAL 110 -5.458 5.947 5.801 878 H LEU 111 H LEU 111 -1.044 7.349 4.348 879 HA LEU 111 HA LEU 111 0.551 5.120 3.545 880 HB2 LEU 111 1HB LEU 111 0.625 7.994 2.641 881 HB3 LEU 111 2HB LEU 111 1.441 6.650 1.845 882 HG LEU 111 HG LEU 111 -1.538 7.075 2.070 883 HD11 LEU 111 1HD1 LEU 111 -1.086 6.937 -0.534 884 HD12 LEU 111 2HD1 LEU 111 0.495 7.542 -0.041 885 HD13 LEU 111 3HD1 LEU 111 -0.960 8.455 0.355 886 HD21 LEU 111 3HD2 LEU 111 -1.499 4.803 2.057 887 HD22 LEU 111 1HD2 LEU 111 0.096 4.721 1.310 888 HD23 LEU 111 2HD2 LEU 111 -1.321 5.079 0.324 889 H ILE 112 H ILE 112 1.151 8.123 5.277 890 HA ILE 112 HA ILE 112 3.931 8.150 5.254 891 HB ILE 112 HB ILE 112 1.856 9.255 7.065 892 HG12 ILE 112 1HG1 ILE 112 4.324 10.549 5.906 893 HG13 ILE 112 2HG1 ILE 112 2.833 10.363 4.988 894 HG21 ILE 112 1HG2 ILE 112 4.665 8.698 7.890 895 HG22 ILE 112 2HG2 ILE 112 3.887 10.184 8.433 896 HG23 ILE 112 3HG2 ILE 112 3.177 8.620 8.833 897 HD11 ILE 112 3HD1 ILE 112 2.911 12.567 5.897 898 HD12 ILE 112 1HD1 ILE 112 1.660 11.659 6.746 899 HD13 ILE 112 2HD1 ILE 112 3.222 11.941 7.516 900 HA PRO 113 HA PRO 113 3.885 5.533 9.319 901 HB2 PRO 113 1HB PRO 113 1.536 4.366 10.018 902 HB3 PRO 113 2HB PRO 113 2.003 5.984 10.557 903 HG2 PRO 113 1HG PRO 113 0.181 5.186 8.320 904 HG3 PRO 113 2HG PRO 113 -0.023 6.470 9.526 905 HD2 PRO 113 1HD PRO 113 0.822 6.963 7.001 906 HD3 PRO 113 2HD PRO 113 1.358 7.926 8.392 907 H LEU 114 H LEU 114 1.589 4.416 6.852 908 HA LEU 114 HA LEU 114 1.868 1.697 7.045 909 HB2 LEU 114 1HB LEU 114 0.324 2.739 5.506 910 HB3 LEU 114 2HB LEU 114 1.661 3.376 4.551 911 HG LEU 114 HG LEU 114 2.250 0.827 4.270 912 HD11 LEU 114 1HD1 LEU 114 0.731 -0.662 4.903 913 HD12 LEU 114 2HD1 LEU 114 -0.562 0.229 4.101 914 HD13 LEU 114 3HD1 LEU 114 -0.103 0.638 5.754 915 HD21 LEU 114 3HD2 LEU 114 1.854 1.667 2.236 916 HD22 LEU 114 1HD2 LEU 114 0.534 2.686 2.811 917 HD23 LEU 114 2HD2 LEU 114 0.235 0.992 2.423 918 H ARG 115 H ARG 115 3.968 3.934 5.254 919 HA ARG 115 HA ARG 115 5.718 1.981 4.231 920 HB2 ARG 115 1HB ARG 115 5.660 4.211 3.292 921 HB3 ARG 115 2HB ARG 115 6.169 4.909 4.824 922 HG2 ARG 115 1HG ARG 115 8.244 3.328 4.472 923 HG3 ARG 115 2HG ARG 115 7.756 3.451 2.780 924 HD2 ARG 115 1HD ARG 115 7.981 5.819 2.804 925 HD3 ARG 115 2HD ARG 115 8.167 5.845 4.557 926 HE ARG 115 HE ARG 115 10.203 4.290 3.328 927 HH11 ARG 115 1HH1 ARG 115 9.205 7.569 3.941 928 HH12 ARG 115 2HH1 ARG 115 10.815 8.206 3.892 929 HH21 ARG 115 1HH2 ARG 115 12.327 5.117 3.261 930 HH22 ARG 115 2HH2 ARG 115 12.591 6.811 3.504 931 H GLN 116 H GLN 116 5.898 3.996 7.149 932 HA GLN 116 HA GLN 116 8.373 3.352 8.106 933 HB2 GLN 116 1HB GLN 116 5.769 3.922 9.460 934 HB3 GLN 116 2HB GLN 116 7.145 3.420 10.434 935 HG2 GLN 116 1HG GLN 116 8.393 5.311 9.853 936 HG3 GLN 116 2HG GLN 116 7.337 5.696 8.494 937 HE21 GLN 116 1HE2 GLN 116 7.963 7.638 10.266 938 HE22 GLN 116 2HE2 GLN 116 6.588 8.039 11.232 939 H ARG 117 H ARG 117 5.445 1.395 8.266 940 HA ARG 117 HA ARG 117 6.590 -0.648 9.898 941 HB2 ARG 117 1HB ARG 117 4.095 -0.439 8.237 942 HB3 ARG 117 2HB ARG 117 4.563 -1.968 8.968 943 HG2 ARG 117 1HG ARG 117 4.148 0.589 10.499 944 HG3 ARG 117 2HG ARG 117 2.930 -0.673 10.302 945 HD2 ARG 117 1HD ARG 117 5.613 -0.932 11.654 946 HD3 ARG 117 2HD ARG 117 4.030 -0.944 12.431 947 HE ARG 117 HE ARG 117 3.918 -3.008 10.659 948 HH11 ARG 117 1HH1 ARG 117 6.074 -2.118 13.243 949 HH12 ARG 117 2HH1 ARG 117 6.492 -3.754 13.633 950 HH21 ARG 117 1HH2 ARG 117 4.460 -5.166 11.162 951 HH22 ARG 117 2HH2 ARG 117 5.574 -5.487 12.448 952 H LEU 118 H LEU 118 5.723 -0.547 6.439 953 HA LEU 118 HA LEU 118 6.506 -2.928 5.512 954 HB2 LEU 118 1HB LEU 118 6.981 -0.197 4.387 955 HB3 LEU 118 2HB LEU 118 7.541 -1.627 3.523 956 HG LEU 118 HG LEU 118 4.673 -1.069 4.278 957 HD11 LEU 118 1HD1 LEU 118 5.270 -1.163 1.458 958 HD12 LEU 118 2HD1 LEU 118 6.189 0.108 2.264 959 HD13 LEU 118 3HD1 LEU 118 4.431 0.076 2.391 960 HD21 LEU 118 3HD2 LEU 118 4.732 -2.923 2.247 961 HD22 LEU 118 1HD2 LEU 118 4.455 -3.267 3.955 962 HD23 LEU 118 2HD2 LEU 118 6.077 -3.415 3.277 963 H GLU 119 H GLU 119 8.735 -0.316 6.385 964 HA GLU 119 HA GLU 119 11.079 -1.803 5.690 965 HB2 GLU 119 1HB GLU 119 10.527 0.800 7.046 966 HB3 GLU 119 2HB GLU 119 12.120 0.080 7.225 967 HG2 GLU 119 1HG GLU 119 10.923 0.405 4.511 968 HG3 GLU 119 2HG GLU 119 11.677 1.776 5.321 969 H GLU 120 H GLU 120 9.424 -1.020 8.726 970 HA GLU 120 HA GLU 120 11.157 -2.003 10.589 971 HB2 GLU 120 1HB GLU 120 8.190 -1.887 10.418 972 HB3 GLU 120 2HB GLU 120 8.888 -2.868 11.699 973 HG2 GLU 120 1HG GLU 120 9.919 -1.034 12.706 974 HG3 GLU 120 2HG GLU 120 9.745 -0.032 11.266 975 H ARG 121 H ARG 121 9.444 -3.786 8.191 976 HA ARG 121 HA ARG 121 9.926 -6.342 9.505 977 HB2 ARG 121 1HB ARG 121 8.416 -5.483 7.060 978 HB3 ARG 121 2HB ARG 121 8.862 -7.171 7.273 979 HG2 ARG 121 1HG ARG 121 7.731 -6.994 9.558 980 HG3 ARG 121 2HG ARG 121 7.029 -5.495 8.946 981 HD2 ARG 121 1HD ARG 121 5.874 -6.616 7.228 982 HD3 ARG 121 2HD ARG 121 6.826 -8.085 7.440 983 HE ARG 121 HE ARG 121 4.462 -7.368 8.851 984 HH11 ARG 121 1HH1 ARG 121 7.508 -9.021 9.179 985 HH12 ARG 121 2HH1 ARG 121 6.948 -10.076 10.434 986 HH21 ARG 121 1HH2 ARG 121 3.714 -8.751 10.503 987 HH22 ARG 121 2HH2 ARG 121 4.790 -9.922 11.186 988 H GLN 122 H GLN 122 10.897 -4.588 6.583 989 HA GLN 122 HA GLN 122 12.435 -6.460 5.309 990 HB2 GLN 122 1HB GLN 122 11.952 -3.931 4.778 991 HB3 GLN 122 2HB GLN 122 13.503 -3.677 5.568 992 HG2 GLN 122 1HG GLN 122 14.002 -3.829 3.296 993 HG3 GLN 122 2HG GLN 122 14.433 -5.405 3.959 994 HE21 GLN 122 1HE2 GLN 122 12.841 -3.836 1.516 995 HE22 GLN 122 2HE2 GLN 122 11.854 -5.136 0.949 996 H ARG 123 H ARG 123 13.614 -4.171 7.779 997 HA ARG 123 HA ARG 123 16.193 -5.318 7.956 998 HB2 ARG 123 1HB ARG 123 16.612 -3.778 9.628 999 HB3 ARG 123 2HB ARG 123 15.303 -2.994 8.752 1000 HG2 ARG 123 1HG ARG 123 13.774 -4.181 10.475 1001 HG3 ARG 123 2HG ARG 123 15.256 -4.330 11.421 1002 HD2 ARG 123 1HD ARG 123 15.573 -1.877 11.209 1003 HD3 ARG 123 2HD ARG 123 14.012 -1.783 10.394 1004 HE ARG 123 HE ARG 123 12.962 -2.056 12.422 1005 HH11 ARG 123 1HH1 ARG 123 16.360 -2.737 12.754 1006 HH12 ARG 123 2HH1 ARG 123 16.312 -2.797 14.485 1007 HH21 ARG 123 1HH2 ARG 123 12.886 -2.132 14.700 1008 HH22 ARG 123 2HH2 ARG 123 14.335 -2.453 15.591 1009 H ARG 124 H ARG 124 17.080 -6.301 9.975 1010 HA ARG 124 HA ARG 124 15.155 -7.936 11.449 1011 HB2 ARG 124 1HB ARG 124 17.312 -8.945 9.645 1012 HB3 ARG 124 2HB ARG 124 16.946 -9.846 11.110 1013 HG2 ARG 124 1HG ARG 124 14.694 -9.073 9.333 1014 HG3 ARG 124 2HG ARG 124 15.760 -10.385 8.827 1015 HD2 ARG 124 1HD ARG 124 14.225 -11.585 10.012 1016 HD3 ARG 124 2HD ARG 124 15.352 -11.193 11.310 1017 HE ARG 124 HE ARG 124 13.449 -9.157 11.180 1018 HH11 ARG 124 1HH1 ARG 124 13.624 -12.551 11.934 1019 HH12 ARG 124 2HH1 ARG 124 12.294 -12.506 13.044 1020 HH21 ARG 124 1HH2 ARG 124 11.698 -9.085 12.639 1021 HH22 ARG 124 2HH2 ARG 124 11.199 -10.534 13.444 1022 H ARG 125 H ARG 125 15.780 -8.460 13.515 1023 HA ARG 125 HA ARG 125 17.859 -6.859 14.658 1024 HB2 ARG 125 1HB ARG 125 15.784 -8.733 15.682 1025 HB3 ARG 125 2HB ARG 125 17.172 -8.412 16.712 1026 HG2 ARG 125 1HG ARG 125 15.630 -6.153 15.508 1027 HG3 ARG 125 2HG ARG 125 15.050 -6.968 16.962 1028 HD2 ARG 125 1HD ARG 125 17.205 -6.497 18.055 1029 HD3 ARG 125 2HD ARG 125 17.735 -5.639 16.609 1030 HE ARG 125 HE ARG 125 15.332 -4.500 17.439 1031 HH11 ARG 125 1HH1 ARG 125 18.602 -4.848 18.582 1032 HH12 ARG 125 2HH1 ARG 125 18.581 -3.371 19.488 1033 HH21 ARG 125 1HH2 ARG 125 15.292 -2.554 18.628 1034 HH22 ARG 125 2HH2 ARG 125 16.697 -2.067 19.514 1035 H LYS 126 H LYS 126 19.813 -7.549 13.809 1036 HA LYS 126 HA LYS 126 20.600 -10.331 14.289 1037 HB2 LYS 126 1HB LYS 126 21.505 -8.182 12.444 1038 HB3 LYS 126 2HB LYS 126 22.717 -9.335 12.990 1039 HG2 LYS 126 1HG LYS 126 21.785 -11.069 11.851 1040 HG3 LYS 126 2HG LYS 126 20.150 -10.412 11.965 1041 HD2 LYS 126 1HD LYS 126 20.551 -10.034 9.750 1042 HD3 LYS 126 2HD LYS 126 21.197 -8.533 10.417 1043 HE2 LYS 126 1HE LYS 126 22.912 -10.960 9.969 1044 HE3 LYS 126 2HE LYS 126 22.630 -9.765 8.704 1045 HZ1 LYS 126 3HZ LYS 126 23.651 -8.091 10.002 1046 HZ2 LYS 126 1HZ LYS 126 24.687 -9.428 10.054 1047 HZ3 LYS 126 2HZ LYS 126 23.700 -9.071 11.381 1048 H GLN 127 H GLN 127 23.121 -10.434 14.771 1049 HA GLN 127 HA GLN 127 23.683 -8.573 16.983 1050 HB2 GLN 127 1HB GLN 127 24.081 -11.565 16.908 1051 HB3 GLN 127 2HB GLN 127 24.799 -10.522 18.129 1052 HG2 GLN 127 1HG GLN 127 21.849 -10.493 17.658 1053 HG3 GLN 127 2HG GLN 127 22.590 -11.750 18.647 1054 HE21 GLN 127 1HE2 GLN 127 24.088 -10.901 20.372 1055 HE22 GLN 127 2HE2 GLN 127 23.558 -9.507 21.243 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -0.867 20.951 -10.620 2 HA2 GLY 1 1HA GLY 1 -1.903 20.514 -8.204 3 HA3 GLY 1 2HA GLY 1 -0.488 21.539 -8.398 4 H SER 2 H SER 2 -3.637 21.379 -7.266 5 HA SER 2 HA SER 2 -3.588 24.122 -6.435 6 HB2 SER 2 1HB SER 2 -4.457 24.360 -8.743 7 HB3 SER 2 2HB SER 2 -5.778 23.263 -8.342 8 HG SER 2 HG SER 2 -6.068 25.690 -8.159 9 H SER 3 H SER 3 -5.218 24.615 -4.883 10 HA SER 3 HA SER 3 -6.874 22.371 -3.986 11 HB2 SER 3 1HB SER 3 -6.151 22.622 -1.676 12 HB3 SER 3 2HB SER 3 -4.750 22.300 -2.696 13 HG SER 3 HG SER 3 -5.426 24.966 -2.280 14 H GLY 4 H GLY 4 -8.246 23.195 -2.004 15 HA2 GLY 4 1HA GLY 4 -9.543 25.642 -2.945 16 HA3 GLY 4 2HA GLY 4 -10.230 24.463 -1.838 17 H SER 5 H SER 5 -10.445 27.137 -1.297 18 HA SER 5 HA SER 5 -8.353 28.121 0.358 19 HB2 SER 5 1HB SER 5 -9.839 29.723 -0.606 20 HB3 SER 5 2HB SER 5 -11.255 28.906 0.053 21 HG SER 5 HG SER 5 -9.320 29.779 1.858 22 H SER 6 H SER 6 -7.770 27.201 2.205 23 HA SER 6 HA SER 6 -9.868 26.428 4.109 24 HB2 SER 6 1HB SER 6 -7.467 24.777 3.309 25 HB3 SER 6 2HB SER 6 -8.406 24.469 4.769 26 HG SER 6 HG SER 6 -10.184 24.018 3.514 27 H GLY 7 H GLY 7 -9.377 26.739 6.274 28 HA2 GLY 7 1HA GLY 7 -7.485 28.783 6.841 29 HA3 GLY 7 2HA GLY 7 -8.435 27.896 8.024 30 H MET 8 H MET 8 -5.370 28.574 7.086 31 HA MET 8 HA MET 8 -4.165 25.997 7.525 32 HB2 MET 8 1HB MET 8 -3.069 28.777 7.159 33 HB3 MET 8 2HB MET 8 -2.028 27.420 7.566 34 HG2 MET 8 1HG MET 8 -2.384 26.370 5.532 35 HG3 MET 8 2HG MET 8 -3.864 27.271 5.215 36 HE1 MET 8 3HE MET 8 -2.194 27.290 2.640 37 HE2 MET 8 1HE MET 8 -3.654 28.189 3.053 38 HE3 MET 8 2HE MET 8 -2.272 29.029 2.351 39 H ALA 9 H ALA 9 -4.709 25.297 9.567 40 HA ALA 9 HA ALA 9 -3.233 26.527 11.738 41 HB1 ALA 9 3HB ALA 9 -6.232 26.385 11.709 42 HB2 ALA 9 1HB ALA 9 -5.312 26.443 13.214 43 HB3 ALA 9 2HB ALA 9 -5.195 27.769 12.056 44 H SER 10 H SER 10 -2.347 24.990 12.956 45 HA SER 10 HA SER 10 -1.744 22.888 13.626 46 HB2 SER 10 1HB SER 10 -3.357 21.805 14.985 47 HB3 SER 10 2HB SER 10 -3.761 23.520 15.068 48 HG SER 10 HG SER 10 -5.639 23.011 14.308 49 H SER 11 H SER 11 -1.931 23.022 10.873 50 HA SER 11 HA SER 11 -2.896 20.317 10.229 51 HB2 SER 11 1HB SER 11 -3.310 22.870 8.690 52 HB3 SER 11 2HB SER 11 -3.325 21.307 7.874 53 HG SER 11 HG SER 11 -4.988 22.075 10.045 54 H VAL 12 H VAL 12 -1.881 19.489 8.161 55 HA VAL 12 HA VAL 12 0.983 19.858 8.361 56 HB VAL 12 HB VAL 12 -0.611 18.023 6.565 57 HG11 VAL 12 1HG1 VAL 12 1.298 17.563 5.533 58 HG12 VAL 12 2HG1 VAL 12 2.140 18.747 6.535 59 HG13 VAL 12 3HG1 VAL 12 2.009 17.071 7.069 60 HG21 VAL 12 3HG2 VAL 12 -0.664 17.782 9.166 61 HG22 VAL 12 1HG2 VAL 12 -0.423 16.360 8.150 62 HG23 VAL 12 2HG2 VAL 12 0.956 17.122 8.943 63 H ASP 13 H ASP 13 2.323 20.716 6.837 64 HA ASP 13 HA ASP 13 1.092 22.450 4.868 65 HB2 ASP 13 1HB ASP 13 4.043 22.061 5.380 66 HB3 ASP 13 2HB ASP 13 3.258 23.433 4.604 67 H GLU 14 H GLU 14 2.320 22.592 2.685 68 HA GLU 14 HA GLU 14 1.889 20.140 1.326 69 HB2 GLU 14 1HB GLU 14 3.235 22.680 0.388 70 HB3 GLU 14 2HB GLU 14 2.764 21.346 -0.656 71 HG2 GLU 14 1HG GLU 14 0.444 21.710 -0.173 72 HG3 GLU 14 2HG GLU 14 0.845 22.930 1.034 73 H GLU 15 H GLU 15 4.823 21.940 2.190 74 HA GLU 15 HA GLU 15 6.734 20.395 0.949 75 HB2 GLU 15 1HB GLU 15 7.047 22.527 2.316 76 HB3 GLU 15 2HB GLU 15 7.084 21.490 3.735 77 HG2 GLU 15 1HG GLU 15 8.984 20.257 2.689 78 HG3 GLU 15 2HG GLU 15 9.001 21.479 1.419 79 H ALA 16 H ALA 16 5.437 19.938 4.235 80 HA ALA 16 HA ALA 16 6.845 17.730 5.030 81 HB1 ALA 16 3HB ALA 16 5.508 18.036 6.773 82 HB2 ALA 16 1HB ALA 16 4.407 19.012 5.800 83 HB3 ALA 16 2HB ALA 16 4.203 17.261 5.876 84 H LEU 17 H LEU 17 3.764 17.686 3.235 85 HA LEU 17 HA LEU 17 3.528 14.934 2.944 86 HB2 LEU 17 1HB LEU 17 2.696 17.035 0.950 87 HB3 LEU 17 2HB LEU 17 2.060 15.396 1.069 88 HG LEU 17 HG LEU 17 1.724 17.541 3.165 89 HD11 LEU 17 1HD1 LEU 17 0.265 18.341 1.645 90 HD12 LEU 17 2HD1 LEU 17 -0.755 17.040 2.256 91 HD13 LEU 17 3HD1 LEU 17 0.167 16.813 0.770 92 HD21 LEU 17 3HD2 LEU 17 1.601 15.495 4.282 93 HD22 LEU 17 1HD2 LEU 17 0.797 14.698 2.930 94 HD23 LEU 17 2HD2 LEU 17 -0.080 15.875 3.908 95 H HIS 18 H HIS 18 5.140 17.280 0.822 96 HA HIS 18 HA HIS 18 5.853 15.826 -1.330 97 HB2 HIS 18 1HB HIS 18 6.583 18.211 -0.609 98 HB3 HIS 18 2HB HIS 18 7.987 17.403 0.082 99 HD1 HIS 18 1HD HIS 18 9.767 18.150 -1.516 100 HD2 HIS 18 2HD HIS 18 6.455 16.554 -3.452 101 HE1 HIS 18 1HE HIS 18 10.426 17.967 -3.936 102 HE2 HIS 18 2HE HIS 18 8.378 17.078 -5.101 103 H GLN 19 H GLN 19 7.739 15.842 1.698 104 HA GLN 19 HA GLN 19 9.712 14.079 1.130 105 HB2 GLN 19 1HB GLN 19 8.079 14.304 3.656 106 HB3 GLN 19 2HB GLN 19 9.526 13.310 3.538 107 HG2 GLN 19 1HG GLN 19 9.297 16.293 3.331 108 HG3 GLN 19 2HG GLN 19 10.201 15.340 4.507 109 HE21 GLN 19 1HE2 GLN 19 11.772 13.746 3.290 110 HE22 GLN 19 2HE2 GLN 19 12.785 14.514 2.121 111 H LEU 20 H LEU 20 6.389 13.227 2.021 112 HA LEU 20 HA LEU 20 6.797 10.422 1.964 113 HB2 LEU 20 1HB LEU 20 4.937 11.135 3.176 114 HB3 LEU 20 2HB LEU 20 4.384 12.194 1.880 115 HG LEU 20 HG LEU 20 4.041 9.915 0.608 116 HD11 LEU 20 1HD1 LEU 20 3.115 8.300 2.431 117 HD12 LEU 20 2HD1 LEU 20 4.256 9.138 3.482 118 HD13 LEU 20 3HD1 LEU 20 4.836 8.300 2.042 119 HD21 LEU 20 3HD2 LEU 20 2.364 11.479 2.439 120 HD22 LEU 20 1HD2 LEU 20 1.774 9.851 2.101 121 HD23 LEU 20 2HD2 LEU 20 2.069 10.975 0.774 122 H TYR 21 H TYR 21 5.571 12.739 -0.419 123 HA TYR 21 HA TYR 21 4.860 10.904 -2.409 124 HB2 TYR 21 1HB TYR 21 5.735 13.786 -2.541 125 HB3 TYR 21 2HB TYR 21 5.257 12.884 -3.975 126 HD1 TYR 21 2HD TYR 21 2.983 11.315 -2.996 127 HD2 TYR 21 1HD TYR 21 4.054 15.354 -2.194 128 HE1 TYR 21 2HE TYR 21 0.623 11.845 -2.548 129 HE2 TYR 21 1HE TYR 21 1.698 15.895 -1.743 130 HH TYR 21 HH TYR 21 -0.833 13.977 -2.633 131 H LEU 22 H LEU 22 7.923 12.593 -1.818 132 HA LEU 22 HA LEU 22 9.310 11.664 -4.063 133 HB2 LEU 22 1HB LEU 22 10.411 12.312 -1.333 134 HB3 LEU 22 2HB LEU 22 11.341 12.208 -2.826 135 HG LEU 22 HG LEU 22 9.118 14.200 -2.484 136 HD11 LEU 22 1HD1 LEU 22 10.526 15.768 -1.543 137 HD12 LEU 22 2HD1 LEU 22 11.986 14.904 -2.025 138 HD13 LEU 22 3HD1 LEU 22 10.999 14.294 -0.697 139 HD21 LEU 22 3HD2 LEU 22 11.308 13.688 -4.425 140 HD22 LEU 22 1HD2 LEU 22 10.858 15.363 -4.105 141 HD23 LEU 22 2HD2 LEU 22 9.650 14.224 -4.701 142 H TRP 23 H TRP 23 8.840 10.238 -0.873 143 HA TRP 23 HA TRP 23 10.669 8.152 -1.013 144 HB2 TRP 23 1HB TRP 23 9.681 8.395 1.076 145 HB3 TRP 23 2HB TRP 23 8.057 8.523 0.405 146 HD1 TRP 23 HD TRP 23 10.789 5.792 0.816 147 HE1 TRP 23 1HE TRP 23 9.602 3.547 1.236 148 HE3 TRP 23 3HE TRP 23 5.938 7.346 0.380 149 HZ2 TRP 23 2HZ TRP 23 6.959 2.565 1.365 150 HZ3 TRP 23 3HZ TRP 23 4.140 5.691 0.665 151 HH2 TRP 23 HH TRP 23 4.642 3.350 1.146 152 H VAL 24 H VAL 24 7.480 8.462 -2.440 153 HA VAL 24 HA VAL 24 7.422 5.709 -3.329 154 HB VAL 24 HB VAL 24 5.580 8.026 -3.929 155 HG11 VAL 24 1HG1 VAL 24 5.471 5.138 -4.757 156 HG12 VAL 24 2HG1 VAL 24 4.040 6.169 -4.716 157 HG13 VAL 24 3HG1 VAL 24 5.390 6.574 -5.777 158 HG21 VAL 24 3HG2 VAL 24 5.530 5.777 -1.953 159 HG22 VAL 24 1HG2 VAL 24 5.247 7.498 -1.692 160 HG23 VAL 24 2HG2 VAL 24 4.030 6.518 -2.511 161 H ASP 25 H ASP 25 7.656 8.911 -4.864 162 HA ASP 25 HA ASP 25 7.733 8.411 -7.485 163 HB2 ASP 25 1HB ASP 25 8.202 10.624 -6.624 164 HB3 ASP 25 2HB ASP 25 9.743 10.082 -5.965 165 H ASN 26 H ASN 26 10.489 7.810 -5.321 166 HA ASN 26 HA ASN 26 12.371 6.935 -7.103 167 HB2 ASN 26 1HB ASN 26 12.997 7.103 -4.822 168 HB3 ASN 26 2HB ASN 26 11.737 5.982 -4.313 169 HD21 ASN 26 1HD2 ASN 26 12.361 3.996 -3.900 170 HD22 ASN 26 2HD2 ASN 26 13.786 3.229 -4.504 171 H ILE 27 H ILE 27 9.840 4.952 -5.579 172 HA ILE 27 HA ILE 27 10.525 2.579 -6.987 173 HB ILE 27 HB ILE 27 7.967 3.344 -5.577 174 HG12 ILE 27 1HG1 ILE 27 9.921 1.318 -4.575 175 HG13 ILE 27 2HG1 ILE 27 10.310 3.024 -4.384 176 HG21 ILE 27 1HG2 ILE 27 7.037 1.543 -6.482 177 HG22 ILE 27 2HG2 ILE 27 8.538 1.139 -7.314 178 HG23 ILE 27 3HG2 ILE 27 8.253 0.552 -5.676 179 HD11 ILE 27 3HD1 ILE 27 7.993 3.230 -3.318 180 HD12 ILE 27 1HD1 ILE 27 8.045 1.471 -3.201 181 HD13 ILE 27 2HD1 ILE 27 9.272 2.446 -2.391 182 HA PRO 28 HA PRO 28 8.716 3.793 -10.880 183 HB2 PRO 28 1HB PRO 28 9.279 1.472 -12.170 184 HB3 PRO 28 2HB PRO 28 10.492 2.721 -11.865 185 HG2 PRO 28 1HG PRO 28 9.965 0.186 -10.364 186 HG3 PRO 28 2HG PRO 28 11.516 0.903 -10.839 187 HD2 PRO 28 1HD PRO 28 10.512 1.130 -8.334 188 HD3 PRO 28 2HD PRO 28 11.507 2.396 -9.083 189 H LEU 29 H LEU 29 6.580 3.799 -11.156 190 HA LEU 29 HA LEU 29 5.122 1.255 -10.904 191 HB2 LEU 29 1HB LEU 29 4.320 3.972 -9.889 192 HB3 LEU 29 2HB LEU 29 3.177 2.645 -10.088 193 HG LEU 29 HG LEU 29 5.609 2.283 -8.382 194 HD11 LEU 29 1HD1 LEU 29 3.030 3.323 -7.267 195 HD12 LEU 29 2HD1 LEU 29 4.314 4.416 -7.783 196 HD13 LEU 29 3HD1 LEU 29 4.619 3.240 -6.505 197 HD21 LEU 29 3HD2 LEU 29 3.578 0.617 -9.153 198 HD22 LEU 29 1HD2 LEU 29 3.026 1.184 -7.577 199 HD23 LEU 29 2HD2 LEU 29 4.598 0.398 -7.730 200 H SER 30 H SER 30 6.194 2.433 -13.276 201 HA SER 30 HA SER 30 5.593 3.335 -15.323 202 HB2 SER 30 1HB SER 30 3.734 1.058 -14.709 203 HB3 SER 30 2HB SER 30 3.594 1.925 -16.238 204 HG SER 30 HG SER 30 5.593 0.228 -15.327 205 H ARG 31 H ARG 31 4.592 4.974 -13.259 206 HA ARG 31 HA ARG 31 2.328 6.155 -14.653 207 HB2 ARG 31 1HB ARG 31 1.670 4.544 -12.639 208 HB3 ARG 31 2HB ARG 31 2.054 5.975 -11.692 209 HG2 ARG 31 1HG ARG 31 0.320 7.206 -12.602 210 HG3 ARG 31 2HG ARG 31 0.201 6.171 -14.027 211 HD2 ARG 31 1HD ARG 31 -0.494 4.330 -12.376 212 HD3 ARG 31 2HD ARG 31 -0.752 5.645 -11.231 213 HE ARG 31 HE ARG 31 -2.713 6.067 -12.300 214 HH11 ARG 31 1HH1 ARG 31 -0.560 4.508 -14.548 215 HH12 ARG 31 2HH1 ARG 31 -1.725 4.459 -15.830 216 HH21 ARG 31 1HH2 ARG 31 -4.255 6.008 -13.979 217 HH22 ARG 31 2HH2 ARG 31 -3.826 5.312 -15.506 218 HA PRO 32 HA PRO 32 4.570 9.827 -13.702 219 HB2 PRO 32 1HB PRO 32 2.599 11.639 -14.153 220 HB3 PRO 32 2HB PRO 32 3.436 10.787 -15.455 221 HG2 PRO 32 1HG PRO 32 0.771 10.209 -14.220 222 HG3 PRO 32 2HG PRO 32 1.238 10.194 -15.931 223 HD2 PRO 32 1HD PRO 32 1.017 7.930 -14.462 224 HD3 PRO 32 2HD PRO 32 2.191 8.100 -15.783 225 H LYS 33 H LYS 33 3.990 12.025 -12.490 226 HA LYS 33 HA LYS 33 3.311 11.231 -9.784 227 HB2 LYS 33 1HB LYS 33 4.328 13.843 -10.915 228 HB3 LYS 33 2HB LYS 33 4.055 13.539 -9.204 229 HG2 LYS 33 1HG LYS 33 6.277 13.099 -9.305 230 HG3 LYS 33 2HG LYS 33 5.658 11.490 -9.687 231 HD2 LYS 33 1HD LYS 33 5.856 12.052 -12.101 232 HD3 LYS 33 2HD LYS 33 6.613 13.579 -11.644 233 HE2 LYS 33 1HE LYS 33 7.706 10.985 -10.630 234 HE3 LYS 33 2HE LYS 33 8.100 11.539 -12.257 235 HZ1 LYS 33 3HZ LYS 33 9.796 12.318 -10.835 236 HZ2 LYS 33 1HZ LYS 33 8.693 12.897 -9.690 237 HZ3 LYS 33 2HZ LYS 33 8.837 13.666 -11.190 238 H ARG 34 H ARG 34 2.462 14.151 -11.643 239 HA ARG 34 HA ARG 34 0.379 15.126 -10.307 240 HB2 ARG 34 1HB ARG 34 0.842 14.836 -13.237 241 HB3 ARG 34 2HB ARG 34 -0.729 15.419 -12.704 242 HG2 ARG 34 1HG ARG 34 0.577 17.132 -11.328 243 HG3 ARG 34 2HG ARG 34 1.963 16.674 -12.319 244 HD2 ARG 34 1HD ARG 34 0.356 17.100 -14.311 245 HD3 ARG 34 2HD ARG 34 -0.588 18.009 -13.132 246 HE ARG 34 HE ARG 34 1.974 18.957 -12.887 247 HH11 ARG 34 1HH1 ARG 34 -0.361 18.695 -15.456 248 HH12 ARG 34 2HH1 ARG 34 0.211 20.098 -16.295 249 HH21 ARG 34 1HH2 ARG 34 2.736 20.806 -13.983 250 HH22 ARG 34 2HH2 ARG 34 1.974 21.298 -15.457 251 H ASN 35 H ASN 35 -1.873 14.837 -10.166 252 HA ASN 35 HA ASN 35 -3.832 13.684 -10.017 253 HB2 ASN 35 1HB ASN 35 -3.453 13.317 -12.480 254 HB3 ASN 35 2HB ASN 35 -2.687 11.784 -12.070 255 HD21 ASN 35 1HD2 ASN 35 -5.555 13.390 -10.757 256 HD22 ASN 35 2HD2 ASN 35 -6.651 12.101 -11.109 257 H LEU 36 H LEU 36 -2.240 13.232 -7.991 258 HA LEU 36 HA LEU 36 -1.746 10.387 -7.662 259 HB2 LEU 36 1HB LEU 36 -1.049 12.863 -6.186 260 HB3 LEU 36 2HB LEU 36 -1.164 11.371 -5.255 261 HG LEU 36 HG LEU 36 0.609 11.699 -7.671 262 HD11 LEU 36 1HD1 LEU 36 1.044 13.177 -5.555 263 HD12 LEU 36 2HD1 LEU 36 2.372 12.328 -6.347 264 HD13 LEU 36 3HD1 LEU 36 1.652 11.665 -4.880 265 HD21 LEU 36 3HD2 LEU 36 0.942 9.701 -5.474 266 HD22 LEU 36 1HD2 LEU 36 1.496 9.633 -7.147 267 HD23 LEU 36 2HD2 LEU 36 -0.212 9.400 -6.774 268 H SER 37 H SER 37 -3.914 12.883 -6.454 269 HA SER 37 HA SER 37 -5.122 11.708 -4.321 270 HB2 SER 37 1HB SER 37 -5.762 13.921 -5.137 271 HB3 SER 37 2HB SER 37 -6.506 13.201 -6.564 272 HG SER 37 HG SER 37 -8.235 13.035 -5.400 273 H ARG 38 H ARG 38 -6.382 11.355 -7.643 274 HA ARG 38 HA ARG 38 -8.115 9.220 -6.974 275 HB2 ARG 38 1HB ARG 38 -8.292 10.789 -8.968 276 HB3 ARG 38 2HB ARG 38 -7.039 9.816 -9.727 277 HG2 ARG 38 1HG ARG 38 -9.023 8.959 -10.583 278 HG3 ARG 38 2HG ARG 38 -8.587 7.824 -9.304 279 HD2 ARG 38 1HD ARG 38 -10.080 9.338 -7.813 280 HD3 ARG 38 2HD ARG 38 -10.745 9.896 -9.347 281 HE ARG 38 HE ARG 38 -10.780 7.116 -9.388 282 HH11 ARG 38 1HH1 ARG 38 -12.242 9.716 -7.593 283 HH12 ARG 38 2HH1 ARG 38 -13.688 8.831 -7.236 284 HH21 ARG 38 1HH2 ARG 38 -12.679 5.940 -8.924 285 HH22 ARG 38 2HH2 ARG 38 -13.935 6.683 -7.993 286 H ASP 39 H ASP 39 -5.063 9.247 -8.819 287 HA ASP 39 HA ASP 39 -4.674 6.660 -9.412 288 HB2 ASP 39 1HB ASP 39 -3.037 8.566 -9.730 289 HB3 ASP 39 2HB ASP 39 -2.499 8.275 -8.079 290 H PHE 40 H PHE 40 -3.868 8.047 -6.230 291 HA PHE 40 HA PHE 40 -3.332 5.461 -5.099 292 HB2 PHE 40 1HB PHE 40 -3.293 8.275 -4.134 293 HB3 PHE 40 2HB PHE 40 -3.475 7.009 -2.925 294 HD1 PHE 40 2HD PHE 40 -1.403 7.556 -5.985 295 HD2 PHE 40 1HD PHE 40 -1.532 6.401 -1.891 296 HE1 PHE 40 2HE PHE 40 1.028 7.181 -6.018 297 HE2 PHE 40 1HE PHE 40 0.899 6.025 -1.917 298 HZ PHE 40 HZ PHE 40 2.183 6.414 -3.983 299 H SER 41 H SER 41 -5.968 7.806 -4.968 300 HA SER 41 HA SER 41 -7.577 7.007 -2.993 301 HB2 SER 41 1HB SER 41 -8.283 8.702 -4.584 302 HB3 SER 41 2HB SER 41 -8.448 7.489 -5.852 303 HG SER 41 HG SER 41 -10.244 6.733 -4.924 304 H ASP 42 H ASP 42 -6.845 5.129 -5.845 305 HA ASP 42 HA ASP 42 -8.754 3.054 -5.093 306 HB2 ASP 42 1HB ASP 42 -7.847 1.947 -7.212 307 HB3 ASP 42 2HB ASP 42 -8.750 3.445 -7.423 308 H GLY 43 H GLY 43 -7.984 1.992 -3.331 309 HA2 GLY 43 1HA GLY 43 -5.535 1.468 -2.409 310 HA3 GLY 43 2HA GLY 43 -6.787 0.236 -2.381 311 H VAL 44 H VAL 44 -6.924 -0.082 -5.247 312 HA VAL 44 HA VAL 44 -5.362 -2.208 -5.747 313 HB VAL 44 HB VAL 44 -6.018 -0.052 -7.760 314 HG11 VAL 44 1HG1 VAL 44 -4.184 -1.668 -8.406 315 HG12 VAL 44 2HG1 VAL 44 -5.405 -2.941 -8.334 316 HG13 VAL 44 3HG1 VAL 44 -5.580 -1.613 -9.482 317 HG21 VAL 44 3HG2 VAL 44 -7.570 -2.173 -6.471 318 HG22 VAL 44 1HG2 VAL 44 -8.110 -0.717 -7.308 319 HG23 VAL 44 2HG2 VAL 44 -7.690 -2.160 -8.231 320 H LEU 45 H LEU 45 -4.397 1.108 -6.650 321 HA LEU 45 HA LEU 45 -1.817 0.476 -7.511 322 HB2 LEU 45 1HB LEU 45 -3.075 2.634 -7.844 323 HB3 LEU 45 2HB LEU 45 -2.630 3.057 -6.192 324 HG LEU 45 HG LEU 45 -0.226 2.869 -6.892 325 HD11 LEU 45 1HD1 LEU 45 -0.731 1.462 -8.906 326 HD12 LEU 45 2HD1 LEU 45 0.352 2.823 -9.195 327 HD13 LEU 45 3HD1 LEU 45 -1.339 2.921 -9.688 328 HD21 LEU 45 3HD2 LEU 45 -2.168 4.913 -7.758 329 HD22 LEU 45 1HD2 LEU 45 -0.574 4.990 -8.508 330 HD23 LEU 45 2HD2 LEU 45 -0.727 5.065 -6.752 331 H VAL 46 H VAL 46 -2.962 1.531 -4.319 332 HA VAL 46 HA VAL 46 -0.612 1.798 -2.950 333 HB VAL 46 HB VAL 46 -3.122 0.475 -1.911 334 HG11 VAL 46 1HG1 VAL 46 -2.296 0.563 0.194 335 HG12 VAL 46 2HG1 VAL 46 -0.755 0.429 -0.656 336 HG13 VAL 46 3HG1 VAL 46 -1.336 2.007 -0.125 337 HG21 VAL 46 3HG2 VAL 46 -2.253 3.350 -2.080 338 HG22 VAL 46 1HG2 VAL 46 -3.718 2.609 -2.727 339 HG23 VAL 46 2HG2 VAL 46 -3.521 2.801 -0.985 340 H ALA 47 H ALA 47 -2.451 -1.245 -3.258 341 HA ALA 47 HA ALA 47 -0.788 -2.962 -1.932 342 HB1 ALA 47 3HB ALA 47 -2.638 -3.278 -4.230 343 HB2 ALA 47 1HB ALA 47 -1.548 -4.615 -3.860 344 HB3 ALA 47 2HB ALA 47 -2.673 -4.028 -2.634 345 H GLU 48 H GLU 48 -0.500 -1.925 -5.317 346 HA GLU 48 HA GLU 48 1.568 -3.486 -6.188 347 HB2 GLU 48 1HB GLU 48 1.275 -0.529 -6.741 348 HB3 GLU 48 2HB GLU 48 2.152 -1.689 -7.728 349 HG2 GLU 48 1HG GLU 48 -0.811 -1.485 -7.303 350 HG3 GLU 48 2HG GLU 48 0.093 -1.304 -8.806 351 H VAL 49 H VAL 49 1.900 -0.361 -4.507 352 HA VAL 49 HA VAL 49 4.611 -0.104 -4.396 353 HB VAL 49 HB VAL 49 2.681 0.472 -2.145 354 HG11 VAL 49 1HG1 VAL 49 4.303 1.769 -1.112 355 HG12 VAL 49 2HG1 VAL 49 5.220 0.363 -1.656 356 HG13 VAL 49 3HG1 VAL 49 5.292 1.871 -2.568 357 HG21 VAL 49 3HG2 VAL 49 3.157 1.716 -4.712 358 HG22 VAL 49 1HG2 VAL 49 1.885 2.023 -3.529 359 HG23 VAL 49 2HG2 VAL 49 3.440 2.842 -3.384 360 H ILE 50 H ILE 50 2.672 -1.746 -1.889 361 HA ILE 50 HA ILE 50 4.617 -2.680 -0.245 362 HB ILE 50 HB ILE 50 2.219 -4.268 -1.169 363 HG12 ILE 50 1HG1 ILE 50 2.408 -2.685 1.376 364 HG13 ILE 50 2HG1 ILE 50 1.958 -1.892 -0.129 365 HG21 ILE 50 1HG2 ILE 50 3.065 -5.914 0.066 366 HG22 ILE 50 2HG2 ILE 50 4.357 -4.881 0.675 367 HG23 ILE 50 3HG2 ILE 50 2.787 -4.893 1.477 368 HD11 ILE 50 3HD1 ILE 50 -0.113 -2.675 -0.020 369 HD12 ILE 50 1HD1 ILE 50 0.441 -4.315 0.317 370 HD13 ILE 50 2HD1 ILE 50 0.262 -3.156 1.635 371 H LYS 51 H LYS 51 3.629 -4.124 -3.323 372 HA LYS 51 HA LYS 51 4.958 -6.482 -3.374 373 HB2 LYS 51 1HB LYS 51 3.668 -5.139 -5.246 374 HB3 LYS 51 2HB LYS 51 5.295 -4.701 -5.750 375 HG2 LYS 51 1HG LYS 51 4.426 -7.548 -5.346 376 HG3 LYS 51 2HG LYS 51 4.278 -6.703 -6.889 377 HD2 LYS 51 1HD LYS 51 6.796 -6.176 -6.554 378 HD3 LYS 51 2HD LYS 51 6.748 -7.509 -5.399 379 HE2 LYS 51 1HE LYS 51 7.343 -8.593 -7.346 380 HE3 LYS 51 2HE LYS 51 5.592 -8.795 -7.343 381 HZ1 LYS 51 3HZ LYS 51 5.766 -6.530 -8.675 382 HZ2 LYS 51 1HZ LYS 51 5.859 -8.035 -9.442 383 HZ3 LYS 51 2HZ LYS 51 7.273 -7.176 -9.091 384 H PHE 52 H PHE 52 6.456 -3.446 -4.509 385 HA PHE 52 HA PHE 52 8.973 -4.146 -5.029 386 HB2 PHE 52 1HB PHE 52 8.007 -1.790 -4.878 387 HB3 PHE 52 2HB PHE 52 8.454 -1.823 -3.176 388 HD1 PHE 52 2HD PHE 52 10.960 -2.516 -2.721 389 HD2 PHE 52 1HD PHE 52 9.499 -0.917 -6.385 390 HE1 PHE 52 2HE PHE 52 13.235 -1.784 -3.304 391 HE2 PHE 52 1HE PHE 52 11.772 -0.183 -6.975 392 HZ PHE 52 HZ PHE 52 13.643 -0.615 -5.433 393 H TYR 53 H TYR 53 7.668 -3.817 -1.758 394 HA TYR 53 HA TYR 53 10.170 -4.572 -0.532 395 HB2 TYR 53 1HB TYR 53 7.411 -4.038 0.566 396 HB3 TYR 53 2HB TYR 53 8.748 -4.573 1.578 397 HD1 TYR 53 2HD TYR 53 7.761 -1.877 -0.793 398 HD2 TYR 53 1HD TYR 53 10.227 -3.012 2.483 399 HE1 TYR 53 2HE TYR 53 8.501 0.456 -0.550 400 HE2 TYR 53 1HE TYR 53 10.973 -0.682 2.736 401 HH TYR 53 HH TYR 53 10.427 1.688 0.385 402 H PHE 54 H PHE 54 6.900 -5.997 -0.607 403 HA PHE 54 HA PHE 54 8.146 -8.656 -0.531 404 HB2 PHE 54 1HB PHE 54 5.677 -7.953 1.061 405 HB3 PHE 54 2HB PHE 54 6.598 -9.452 1.115 406 HD1 PHE 54 1HD PHE 54 8.813 -9.507 2.188 407 HD2 PHE 54 2HD PHE 54 6.343 -6.043 2.308 408 HE1 PHE 54 1HE PHE 54 10.161 -8.614 4.043 409 HE2 PHE 54 2HE PHE 54 7.687 -5.144 4.162 410 HZ PHE 54 HZ PHE 54 9.599 -6.429 5.031 411 HA PRO 55 HA PRO 55 5.408 -8.959 -4.058 412 HB2 PRO 55 1HB PRO 55 6.285 -11.407 -4.840 413 HB3 PRO 55 2HB PRO 55 7.177 -9.917 -5.168 414 HG2 PRO 55 1HG PRO 55 7.605 -11.944 -3.007 415 HG3 PRO 55 2HG PRO 55 8.804 -11.120 -4.021 416 HD2 PRO 55 1HD PRO 55 8.272 -10.354 -1.479 417 HD3 PRO 55 2HD PRO 55 8.752 -9.203 -2.742 418 H LYS 56 H LYS 56 5.837 -11.388 -1.541 419 HA LYS 56 HA LYS 56 3.546 -12.933 -2.220 420 HB2 LYS 56 1HB LYS 56 5.323 -12.754 0.192 421 HB3 LYS 56 2HB LYS 56 3.849 -13.711 0.245 422 HG2 LYS 56 1HG LYS 56 4.630 -15.079 -1.590 423 HG3 LYS 56 2HG LYS 56 6.078 -14.081 -1.745 424 HD2 LYS 56 1HD LYS 56 6.818 -15.913 -0.513 425 HD3 LYS 56 2HD LYS 56 6.497 -14.696 0.725 426 HE2 LYS 56 1HE LYS 56 5.493 -16.581 1.613 427 HE3 LYS 56 2HE LYS 56 4.141 -15.778 0.816 428 HZ1 LYS 56 3HZ LYS 56 5.655 -17.702 -0.767 429 HZ2 LYS 56 1HZ LYS 56 3.995 -17.379 -0.754 430 HZ3 LYS 56 2HZ LYS 56 4.681 -18.331 0.464 431 H MET 57 H MET 57 4.122 -10.790 0.578 432 HA MET 57 HA MET 57 1.725 -10.676 1.756 433 HB2 MET 57 1HB MET 57 3.348 -8.226 1.046 434 HB3 MET 57 2HB MET 57 2.143 -8.324 2.323 435 HG2 MET 57 1HG MET 57 3.606 -10.218 3.262 436 HG3 MET 57 2HG MET 57 4.852 -9.583 2.191 437 HE1 MET 57 3HE MET 57 2.870 -9.143 5.484 438 HE2 MET 57 1HE MET 57 3.012 -7.415 5.812 439 HE3 MET 57 2HE MET 57 2.039 -7.978 4.452 440 H VAL 58 H VAL 58 2.515 -9.116 -1.309 441 HA VAL 58 HA VAL 58 0.048 -7.747 -1.607 442 HB VAL 58 HB VAL 58 2.032 -8.616 -3.714 443 HG11 VAL 58 1HG1 VAL 58 -0.068 -8.196 -4.776 444 HG12 VAL 58 2HG1 VAL 58 -0.301 -6.713 -3.848 445 HG13 VAL 58 3HG1 VAL 58 0.972 -6.803 -5.066 446 HG21 VAL 58 3HG2 VAL 58 2.907 -7.096 -1.945 447 HG22 VAL 58 1HG2 VAL 58 2.929 -6.396 -3.564 448 HG23 VAL 58 2HG2 VAL 58 1.680 -5.918 -2.414 449 H GLU 59 H GLU 59 -1.885 -8.598 -1.960 450 HA GLU 59 HA GLU 59 -2.051 -11.180 -3.370 451 HB2 GLU 59 1HB GLU 59 -2.783 -10.891 -0.845 452 HB3 GLU 59 2HB GLU 59 -4.247 -10.248 -1.576 453 HG2 GLU 59 1HG GLU 59 -4.728 -12.491 -1.261 454 HG3 GLU 59 2HG GLU 59 -4.271 -12.401 -2.961 455 H MET 60 H MET 60 -1.948 -8.827 -4.822 456 HA MET 60 HA MET 60 -4.363 -7.588 -5.413 457 HB2 MET 60 1HB MET 60 -2.414 -6.624 -6.324 458 HB3 MET 60 2HB MET 60 -1.913 -8.135 -7.071 459 HG2 MET 60 1HG MET 60 -2.728 -6.490 -8.698 460 HG3 MET 60 2HG MET 60 -3.675 -7.976 -8.696 461 HE1 MET 60 3HE MET 60 -4.862 -4.033 -6.740 462 HE2 MET 60 1HE MET 60 -4.641 -5.382 -5.624 463 HE3 MET 60 2HE MET 60 -3.310 -4.867 -6.660 464 H HIS 61 H HIS 61 -3.010 -10.608 -6.637 465 HA HIS 61 HA HIS 61 -4.493 -11.278 -8.759 466 HB2 HIS 61 1HB HIS 61 -2.898 -12.735 -7.314 467 HB3 HIS 61 2HB HIS 61 -4.370 -13.251 -6.496 468 HD1 HIS 61 1HD HIS 61 -2.633 -15.228 -8.124 469 HD2 HIS 61 2HD HIS 61 -5.954 -13.227 -9.617 470 HE1 HIS 61 1HE HIS 61 -3.443 -16.619 -10.056 471 HE2 HIS 61 2HE HIS 61 -5.402 -15.345 -10.996 472 H ASN 62 H ASN 62 -5.699 -11.023 -5.475 473 HA ASN 62 HA ASN 62 -8.331 -11.992 -6.228 474 HB2 ASN 62 1HB ASN 62 -7.593 -10.755 -3.581 475 HB3 ASN 62 2HB ASN 62 -8.877 -11.910 -3.928 476 HD21 ASN 62 1HD2 ASN 62 -7.243 -12.434 -1.877 477 HD22 ASN 62 2HD2 ASN 62 -6.166 -13.730 -2.261 478 H TYR 63 H TYR 63 -6.949 -8.977 -4.925 479 HA TYR 63 HA TYR 63 -9.260 -7.429 -5.035 480 HB2 TYR 63 1HB TYR 63 -6.373 -6.589 -5.365 481 HB3 TYR 63 2HB TYR 63 -7.710 -5.475 -5.105 482 HD1 TYR 63 2HD TYR 63 -9.064 -5.727 -2.952 483 HD2 TYR 63 1HD TYR 63 -5.288 -7.595 -3.549 484 HE1 TYR 63 2HE TYR 63 -8.817 -5.993 -0.519 485 HE2 TYR 63 1HE TYR 63 -5.032 -7.867 -1.118 486 HH TYR 63 HH TYR 63 -5.987 -7.623 0.873 487 H VAL 64 H VAL 64 -9.748 -5.638 -6.521 488 HA VAL 64 HA VAL 64 -8.743 -5.856 -9.232 489 HB VAL 64 HB VAL 64 -11.654 -6.375 -8.613 490 HG11 VAL 64 1HG1 VAL 64 -10.430 -6.384 -11.349 491 HG12 VAL 64 2HG1 VAL 64 -12.131 -6.281 -10.892 492 HG13 VAL 64 3HG1 VAL 64 -11.063 -4.900 -10.638 493 HG21 VAL 64 3HG2 VAL 64 -10.224 -8.329 -8.291 494 HG22 VAL 64 1HG2 VAL 64 -11.265 -8.530 -9.700 495 HG23 VAL 64 2HG2 VAL 64 -9.563 -8.121 -9.913 496 HA PRO 65 HA PRO 65 -9.461 -1.510 -8.996 497 HB2 PRO 65 1HB PRO 65 -9.212 -0.930 -11.636 498 HB3 PRO 65 2HB PRO 65 -7.831 -1.315 -10.603 499 HG2 PRO 65 1HG PRO 65 -9.317 -3.078 -12.512 500 HG3 PRO 65 2HG PRO 65 -7.569 -2.936 -12.250 501 HD2 PRO 65 1HD PRO 65 -9.043 -4.946 -11.191 502 HD3 PRO 65 2HD PRO 65 -7.614 -4.277 -10.376 503 H ALA 66 H ALA 66 -11.572 -1.167 -8.425 504 HA ALA 66 HA ALA 66 -13.671 -1.565 -10.420 505 HB1 ALA 66 3HB ALA 66 -13.873 -0.798 -7.510 506 HB2 ALA 66 1HB ALA 66 -15.230 -1.141 -8.584 507 HB3 ALA 66 2HB ALA 66 -14.083 -2.418 -8.175 508 H ASN 67 H ASN 67 -15.405 0.188 -10.461 509 HA ASN 67 HA ASN 67 -14.075 2.810 -10.643 510 HB2 ASN 67 1HB ASN 67 -16.307 1.589 -12.264 511 HB3 ASN 67 2HB ASN 67 -15.963 3.316 -12.292 512 HD21 ASN 67 1HD2 ASN 67 -15.547 3.049 -14.545 513 HD22 ASN 67 2HD2 ASN 67 -14.021 2.443 -15.082 514 H SER 68 H SER 68 -16.996 1.123 -9.634 515 HA SER 68 HA SER 68 -18.374 3.450 -8.738 516 HB2 SER 68 1HB SER 68 -19.512 1.315 -9.326 517 HB3 SER 68 2HB SER 68 -18.796 0.572 -7.896 518 HG SER 68 HG SER 68 -20.839 2.463 -8.096 519 H LEU 69 H LEU 69 -17.699 4.677 -7.116 520 HA LEU 69 HA LEU 69 -15.759 4.306 -5.299 521 HB2 LEU 69 1HB LEU 69 -16.900 6.396 -5.434 522 HB3 LEU 69 2HB LEU 69 -18.411 5.670 -4.888 523 HG LEU 69 HG LEU 69 -17.200 5.218 -2.686 524 HD11 LEU 69 1HD1 LEU 69 -15.296 7.210 -3.906 525 HD12 LEU 69 2HD1 LEU 69 -14.929 5.553 -3.428 526 HD13 LEU 69 3HD1 LEU 69 -15.334 6.754 -2.202 527 HD21 LEU 69 3HD2 LEU 69 -18.916 6.899 -2.871 528 HD22 LEU 69 1HD2 LEU 69 -17.775 8.038 -3.586 529 HD23 LEU 69 2HD2 LEU 69 -17.584 7.536 -1.905 530 H GLN 70 H GLN 70 -19.042 3.053 -5.033 531 HA GLN 70 HA GLN 70 -19.037 2.158 -2.417 532 HB2 GLN 70 1HB GLN 70 -20.290 0.873 -4.849 533 HB3 GLN 70 2HB GLN 70 -20.666 0.436 -3.187 534 HG2 GLN 70 1HG GLN 70 -21.200 3.053 -4.563 535 HG3 GLN 70 2HG GLN 70 -22.376 1.886 -3.960 536 HE21 GLN 70 1HE2 GLN 70 -21.579 4.809 -3.380 537 HE22 GLN 70 2HE2 GLN 70 -21.557 4.871 -1.654 538 H GLN 71 H GLN 71 -18.146 0.256 -5.302 539 HA GLN 71 HA GLN 71 -17.281 -2.026 -3.971 540 HB2 GLN 71 1HB GLN 71 -17.641 -1.971 -6.382 541 HB3 GLN 71 2HB GLN 71 -16.287 -0.866 -6.579 542 HG2 GLN 71 1HG GLN 71 -15.745 -3.189 -7.185 543 HG3 GLN 71 2HG GLN 71 -14.733 -2.555 -5.888 544 HE21 GLN 71 1HE2 GLN 71 -14.343 -4.889 -5.586 545 HE22 GLN 71 2HE2 GLN 71 -15.427 -5.770 -4.569 546 H LYS 72 H LYS 72 -15.399 0.804 -5.011 547 HA LYS 72 HA LYS 72 -12.861 0.189 -4.447 548 HB2 LYS 72 1HB LYS 72 -14.131 2.696 -3.342 549 HB3 LYS 72 2HB LYS 72 -12.452 2.476 -3.816 550 HG2 LYS 72 1HG LYS 72 -14.851 2.512 -5.633 551 HG3 LYS 72 2HG LYS 72 -13.596 3.746 -5.500 552 HD2 LYS 72 1HD LYS 72 -13.034 0.899 -6.308 553 HD3 LYS 72 2HD LYS 72 -13.387 2.182 -7.468 554 HE2 LYS 72 1HE LYS 72 -11.220 2.504 -5.423 555 HE3 LYS 72 2HE LYS 72 -10.922 1.630 -6.925 556 HZ1 LYS 72 3HZ LYS 72 -10.497 4.190 -6.750 557 HZ2 LYS 72 1HZ LYS 72 -12.154 4.284 -7.078 558 HZ3 LYS 72 2HZ LYS 72 -11.119 3.513 -8.170 559 H LEU 73 H LEU 73 -15.032 1.412 -1.890 560 HA LEU 73 HA LEU 73 -13.393 1.044 0.281 561 HB2 LEU 73 1HB LEU 73 -16.334 1.027 -0.116 562 HB3 LEU 73 2HB LEU 73 -15.715 0.452 1.431 563 HG LEU 73 HG LEU 73 -15.212 3.182 0.247 564 HD11 LEU 73 1HD1 LEU 73 -17.393 3.354 0.904 565 HD12 LEU 73 2HD1 LEU 73 -16.582 3.730 2.424 566 HD13 LEU 73 3HD1 LEU 73 -17.235 2.115 2.149 567 HD21 LEU 73 3HD2 LEU 73 -14.099 1.717 2.548 568 HD22 LEU 73 1HD2 LEU 73 -14.606 3.376 2.866 569 HD23 LEU 73 2HD2 LEU 73 -13.418 3.044 1.605 570 H SER 74 H SER 74 -15.683 -1.322 -1.072 571 HA SER 74 HA SER 74 -15.443 -3.414 0.624 572 HB2 SER 74 1HB SER 74 -16.791 -3.406 -1.477 573 HB3 SER 74 2HB SER 74 -15.309 -3.695 -2.388 574 HG SER 74 HG SER 74 -15.122 -5.581 -0.839 575 H ASN 75 H ASN 75 -13.128 -2.590 -1.938 576 HA ASN 75 HA ASN 75 -11.373 -4.745 -1.509 577 HB2 ASN 75 1HB ASN 75 -11.020 -2.020 -2.741 578 HB3 ASN 75 2HB ASN 75 -9.675 -3.150 -2.609 579 HD21 ASN 75 1HD2 ASN 75 -9.811 -2.806 -4.997 580 HD22 ASN 75 2HD2 ASN 75 -10.823 -3.883 -5.893 581 H TRP 76 H TRP 76 -10.985 -1.338 -0.516 582 HA TRP 76 HA TRP 76 -8.732 -1.505 0.993 583 HB2 TRP 76 1HB TRP 76 -11.186 0.167 1.178 584 HB3 TRP 76 2HB TRP 76 -10.076 0.207 2.546 585 HD1 TRP 76 HD TRP 76 -10.494 1.458 -0.988 586 HE1 TRP 76 1HE TRP 76 -8.515 2.989 -1.593 587 HE3 TRP 76 3HE TRP 76 -7.479 0.514 3.031 588 HZ2 TRP 76 2HZ TRP 76 -6.008 3.701 -0.510 589 HZ3 TRP 76 3HZ TRP 76 -5.306 1.660 3.170 590 HH2 TRP 76 HH TRP 76 -4.587 3.220 1.435 591 H GLY 77 H GLY 77 -12.022 -1.927 2.326 592 HA2 GLY 77 1HA GLY 77 -11.540 -2.564 4.897 593 HA3 GLY 77 2HA GLY 77 -12.749 -3.415 3.947 594 H HIS 78 H HIS 78 -11.507 -5.043 2.329 595 HA HIS 78 HA HIS 78 -10.652 -7.170 3.882 596 HB2 HIS 78 1HB HIS 78 -10.167 -6.561 0.965 597 HB3 HIS 78 2HB HIS 78 -9.722 -8.092 1.712 598 HD1 HIS 78 1HD HIS 78 -12.238 -6.871 -0.328 599 HD2 HIS 78 2HD HIS 78 -12.303 -9.039 3.215 600 HE1 HIS 78 1HE HIS 78 -14.492 -7.985 -0.263 601 HE2 HIS 78 2HE HIS 78 -14.540 -9.223 1.930 602 H LEU 79 H LEU 79 -8.717 -4.750 2.166 603 HA LEU 79 HA LEU 79 -6.188 -5.803 2.566 604 HB2 LEU 79 1HB LEU 79 -7.034 -3.654 1.325 605 HB3 LEU 79 2HB LEU 79 -6.630 -2.866 2.849 606 HG LEU 79 HG LEU 79 -4.316 -4.062 2.479 607 HD11 LEU 79 1HD1 LEU 79 -5.440 -5.100 0.328 608 HD12 LEU 79 2HD1 LEU 79 -3.737 -4.643 0.351 609 HD13 LEU 79 3HD1 LEU 79 -4.927 -3.571 -0.387 610 HD21 LEU 79 3HD2 LEU 79 -3.802 -1.996 0.891 611 HD22 LEU 79 1HD2 LEU 79 -4.139 -1.799 2.610 612 HD23 LEU 79 2HD2 LEU 79 -5.413 -1.515 1.425 613 H ASN 80 H ASN 80 -8.343 -4.326 4.836 614 HA ASN 80 HA ASN 80 -6.435 -3.618 6.810 615 HB2 ASN 80 1HB ASN 80 -8.726 -2.701 6.767 616 HB3 ASN 80 2HB ASN 80 -9.365 -4.297 7.146 617 HD21 ASN 80 1HD2 ASN 80 -10.204 -2.602 8.838 618 HD22 ASN 80 2HD2 ASN 80 -9.322 -2.594 10.324 619 H ARG 81 H ARG 81 -8.260 -6.551 6.137 620 HA ARG 81 HA ARG 81 -6.860 -7.887 8.356 621 HB2 ARG 81 1HB ARG 81 -9.361 -8.791 6.917 622 HB3 ARG 81 2HB ARG 81 -8.634 -9.548 8.328 623 HG2 ARG 81 1HG ARG 81 -9.618 -6.713 8.364 624 HG3 ARG 81 2HG ARG 81 -10.667 -8.087 8.719 625 HD2 ARG 81 1HD ARG 81 -8.057 -7.676 10.145 626 HD3 ARG 81 2HD ARG 81 -9.543 -6.899 10.689 627 HE ARG 81 HE ARG 81 -10.145 -9.573 10.417 628 HH11 ARG 81 1HH1 ARG 81 -7.906 -7.654 12.267 629 HH12 ARG 81 2HH1 ARG 81 -7.860 -8.758 13.601 630 HH21 ARG 81 1HH2 ARG 81 -10.093 -11.034 12.168 631 HH22 ARG 81 2HH2 ARG 81 -9.104 -10.681 13.544 632 H LYS 82 H LYS 82 -6.563 -7.418 5.158 633 HA LYS 82 HA LYS 82 -5.715 -10.168 4.567 634 HB2 LYS 82 1HB LYS 82 -6.531 -7.849 2.849 635 HB3 LYS 82 2HB LYS 82 -5.534 -9.133 2.177 636 HG2 LYS 82 1HG LYS 82 -8.090 -9.765 3.597 637 HG3 LYS 82 2HG LYS 82 -8.087 -9.267 1.904 638 HD2 LYS 82 1HD LYS 82 -6.270 -11.118 1.649 639 HD3 LYS 82 2HD LYS 82 -6.947 -11.730 3.160 640 HE2 LYS 82 1HE LYS 82 -9.209 -11.629 2.028 641 HE3 LYS 82 2HE LYS 82 -8.340 -11.348 0.520 642 HZ1 LYS 82 3HZ LYS 82 -8.247 -13.550 0.360 643 HZ2 LYS 82 1HZ LYS 82 -8.731 -13.786 1.964 644 HZ3 LYS 82 2HZ LYS 82 -7.101 -13.518 1.604 645 H VAL 83 H VAL 83 -4.589 -6.904 4.954 646 HA VAL 83 HA VAL 83 -1.835 -7.849 4.511 647 HB VAL 83 HB VAL 83 -2.857 -5.098 3.796 648 HG11 VAL 83 1HG1 VAL 83 -0.734 -4.482 3.343 649 HG12 VAL 83 2HG1 VAL 83 -0.341 -5.745 4.511 650 HG13 VAL 83 3HG1 VAL 83 -0.273 -6.089 2.782 651 HG21 VAL 83 3HG2 VAL 83 -2.431 -5.812 1.453 652 HG22 VAL 83 1HG2 VAL 83 -2.169 -7.453 2.044 653 HG23 VAL 83 2HG2 VAL 83 -3.748 -6.690 2.229 654 H LEU 84 H LEU 84 -3.377 -4.854 5.678 655 HA LEU 84 HA LEU 84 -1.607 -3.964 7.473 656 HB2 LEU 84 1HB LEU 84 -4.570 -4.197 7.978 657 HB3 LEU 84 2HB LEU 84 -3.469 -3.132 8.851 658 HG LEU 84 HG LEU 84 -4.233 -2.943 5.938 659 HD11 LEU 84 1HD1 LEU 84 -5.815 -1.521 6.567 660 HD12 LEU 84 2HD1 LEU 84 -4.679 -0.611 7.563 661 HD13 LEU 84 3HD1 LEU 84 -5.515 -2.011 8.235 662 HD21 LEU 84 3HD2 LEU 84 -2.171 -1.507 7.573 663 HD22 LEU 84 1HD2 LEU 84 -2.934 -0.738 6.181 664 HD23 LEU 84 2HD2 LEU 84 -2.016 -2.229 5.971 665 H LYS 85 H LYS 85 -4.081 -6.389 8.319 666 HA LYS 85 HA LYS 85 -3.507 -6.939 10.896 667 HB2 LYS 85 1HB LYS 85 -5.234 -8.187 9.886 668 HB3 LYS 85 2HB LYS 85 -4.165 -8.820 8.641 669 HG2 LYS 85 1HG LYS 85 -2.947 -10.035 10.496 670 HG3 LYS 85 2HG LYS 85 -4.300 -9.592 11.539 671 HD2 LYS 85 1HD LYS 85 -5.788 -10.649 9.743 672 HD3 LYS 85 2HD LYS 85 -4.302 -11.360 9.109 673 HE2 LYS 85 1HE LYS 85 -5.402 -11.711 11.896 674 HE3 LYS 85 2HE LYS 85 -5.442 -12.909 10.604 675 HZ1 LYS 85 3HZ LYS 85 -3.323 -12.259 12.406 676 HZ2 LYS 85 1HZ LYS 85 -2.812 -12.208 10.794 677 HZ3 LYS 85 2HZ LYS 85 -3.513 -13.616 11.414 678 H ARG 86 H ARG 86 -1.753 -8.323 8.124 679 HA ARG 86 HA ARG 86 0.068 -9.873 9.541 680 HB2 ARG 86 1HB ARG 86 0.312 -8.454 6.891 681 HB3 ARG 86 2HB ARG 86 1.560 -9.525 7.513 682 HG2 ARG 86 1HG ARG 86 -1.284 -10.421 7.185 683 HG3 ARG 86 2HG ARG 86 -0.110 -10.505 5.869 684 HD2 ARG 86 1HD ARG 86 0.273 -11.764 8.582 685 HD3 ARG 86 2HD ARG 86 -0.338 -12.619 7.165 686 HE ARG 86 HE ARG 86 1.794 -12.570 6.235 687 HH11 ARG 86 1HH1 ARG 86 1.687 -10.806 9.235 688 HH12 ARG 86 2HH1 ARG 86 3.410 -10.723 9.398 689 HH21 ARG 86 1HH2 ARG 86 4.063 -12.467 6.439 690 HH22 ARG 86 2HH2 ARG 86 4.761 -11.668 7.807 691 H LEU 87 H LEU 87 0.191 -6.451 8.679 692 HA LEU 87 HA LEU 87 2.771 -6.151 10.004 693 HB2 LEU 87 1HB LEU 87 1.047 -4.233 8.449 694 HB3 LEU 87 2HB LEU 87 2.556 -3.773 9.235 695 HG LEU 87 HG LEU 87 2.602 -6.016 7.275 696 HD11 LEU 87 1HD1 LEU 87 3.192 -3.706 5.823 697 HD12 LEU 87 2HD1 LEU 87 1.670 -3.368 6.647 698 HD13 LEU 87 3HD1 LEU 87 1.814 -4.785 5.607 699 HD21 LEU 87 3HD2 LEU 87 4.647 -5.588 8.375 700 HD22 LEU 87 1HD2 LEU 87 4.484 -3.845 8.164 701 HD23 LEU 87 2HD2 LEU 87 4.805 -4.876 6.769 702 H ASN 88 H ASN 88 0.455 -6.852 11.583 703 HA ASN 88 HA ASN 88 -0.827 -6.136 13.361 704 HB2 ASN 88 1HB ASN 88 2.019 -5.395 13.830 705 HB3 ASN 88 2HB ASN 88 0.826 -4.801 14.982 706 HD21 ASN 88 1HD2 ASN 88 -0.324 -6.269 16.241 707 HD22 ASN 88 2HD2 ASN 88 0.198 -7.903 16.446 708 H PHE 89 H PHE 89 -1.124 -4.389 11.133 709 HA PHE 89 HA PHE 89 -1.268 -1.741 12.398 710 HB2 PHE 89 1HB PHE 89 -0.126 -2.202 10.088 711 HB3 PHE 89 2HB PHE 89 -1.779 -2.211 9.482 712 HD1 PHE 89 2HD PHE 89 -3.191 -0.174 9.750 713 HD2 PHE 89 1HD PHE 89 0.975 -0.190 10.619 714 HE1 PHE 89 2HE PHE 89 -3.160 2.283 9.630 715 HE2 PHE 89 1HE PHE 89 1.013 2.267 10.501 716 HZ PHE 89 HZ PHE 89 -1.057 3.507 10.005 717 H SER 90 H SER 90 -3.176 -0.764 12.775 718 HA SER 90 HA SER 90 -5.614 -2.113 11.815 719 HB2 SER 90 1HB SER 90 -6.692 -1.722 13.912 720 HB3 SER 90 2HB SER 90 -5.119 -2.430 14.281 721 HG SER 90 HG SER 90 -5.682 0.352 14.297 722 H VAL 91 H VAL 91 -7.374 -0.812 11.277 723 HA VAL 91 HA VAL 91 -7.106 2.078 11.455 724 HB VAL 91 HB VAL 91 -7.366 0.677 8.790 725 HG11 VAL 91 1HG1 VAL 91 -8.739 2.809 9.209 726 HG12 VAL 91 2HG1 VAL 91 -7.183 3.642 9.195 727 HG13 VAL 91 3HG1 VAL 91 -7.718 2.745 7.773 728 HG21 VAL 91 3HG2 VAL 91 -5.095 0.641 9.306 729 HG22 VAL 91 1HG2 VAL 91 -5.273 2.115 8.354 730 HG23 VAL 91 2HG2 VAL 91 -5.154 2.209 10.111 731 HA PRO 92 HA PRO 92 -11.443 1.429 12.172 732 HB2 PRO 92 1HB PRO 92 -12.090 4.048 12.475 733 HB3 PRO 92 2HB PRO 92 -11.273 3.109 13.730 734 HG2 PRO 92 1HG PRO 92 -10.115 5.018 11.736 735 HG3 PRO 92 2HG PRO 92 -9.746 4.843 13.461 736 HD2 PRO 92 1HD PRO 92 -8.168 3.805 11.522 737 HD3 PRO 92 2HD PRO 92 -8.360 3.036 13.110 738 H ASP 93 H ASP 93 -13.128 1.253 10.820 739 HA ASP 93 HA ASP 93 -13.067 1.647 8.139 740 HB2 ASP 93 1HB ASP 93 -15.570 2.036 9.789 741 HB3 ASP 93 2HB ASP 93 -15.472 1.489 8.118 742 H ASP 94 H ASP 94 -13.913 4.033 10.580 743 HA ASP 94 HA ASP 94 -15.004 6.034 9.023 744 HB2 ASP 94 1HB ASP 94 -14.686 5.983 11.557 745 HB3 ASP 94 2HB ASP 94 -13.057 6.583 11.260 746 H VAL 95 H VAL 95 -11.558 5.628 9.848 747 HA VAL 95 HA VAL 95 -10.571 7.729 8.304 748 HB VAL 95 HB VAL 95 -9.288 5.136 9.149 749 HG11 VAL 95 1HG1 VAL 95 -7.138 6.109 8.490 750 HG12 VAL 95 2HG1 VAL 95 -8.201 5.882 7.100 751 HG13 VAL 95 3HG1 VAL 95 -7.980 7.491 7.790 752 HG21 VAL 95 3HG2 VAL 95 -8.665 7.919 10.091 753 HG22 VAL 95 1HG2 VAL 95 -9.949 6.952 10.817 754 HG23 VAL 95 2HG2 VAL 95 -8.281 6.381 10.865 755 H MET 96 H MET 96 -11.298 4.392 7.431 756 HA MET 96 HA MET 96 -10.112 4.396 4.881 757 HB2 MET 96 1HB MET 96 -12.443 2.813 5.972 758 HB3 MET 96 2HB MET 96 -11.693 2.503 4.412 759 HG2 MET 96 1HG MET 96 -9.509 2.384 5.898 760 HG3 MET 96 2HG MET 96 -10.683 1.974 7.146 761 HE1 MET 96 3HE MET 96 -10.821 -1.378 7.156 762 HE2 MET 96 1HE MET 96 -11.534 0.162 7.637 763 HE3 MET 96 2HE MET 96 -12.369 -0.870 6.477 764 H ARG 97 H ARG 97 -13.447 5.088 5.903 765 HA ARG 97 HA ARG 97 -14.692 5.463 3.508 766 HB2 ARG 97 1HB ARG 97 -14.960 6.973 6.099 767 HB3 ARG 97 2HB ARG 97 -15.988 7.326 4.717 768 HG2 ARG 97 1HG ARG 97 -15.767 4.513 5.664 769 HG3 ARG 97 2HG ARG 97 -16.756 5.655 6.576 770 HD2 ARG 97 1HD ARG 97 -17.096 5.515 3.622 771 HD3 ARG 97 2HD ARG 97 -17.767 4.216 4.608 772 HE ARG 97 HE ARG 97 -18.642 6.506 5.807 773 HH11 ARG 97 1HH1 ARG 97 -18.844 5.173 2.597 774 HH12 ARG 97 2HH1 ARG 97 -20.363 5.925 2.240 775 HH21 ARG 97 1HH2 ARG 97 -20.643 7.501 5.348 776 HH22 ARG 97 2HH2 ARG 97 -21.385 7.249 3.805 777 H LYS 98 H LYS 98 -12.784 7.905 5.256 778 HA LYS 98 HA LYS 98 -13.071 9.967 3.377 779 HB2 LYS 98 1HB LYS 98 -10.804 9.424 5.303 780 HB3 LYS 98 2HB LYS 98 -11.046 10.935 4.436 781 HG2 LYS 98 1HG LYS 98 -12.844 11.545 5.718 782 HG3 LYS 98 2HG LYS 98 -13.259 9.878 6.123 783 HD2 LYS 98 1HD LYS 98 -11.445 9.724 7.667 784 HD3 LYS 98 2HD LYS 98 -10.779 11.267 7.127 785 HE2 LYS 98 1HE LYS 98 -13.558 11.192 8.201 786 HE3 LYS 98 2HE LYS 98 -12.209 11.094 9.331 787 HZ1 LYS 98 3HZ LYS 98 -12.100 13.191 7.305 788 HZ2 LYS 98 1HZ LYS 98 -11.585 13.215 8.916 789 HZ3 LYS 98 2HZ LYS 98 -13.227 13.388 8.551 790 H ILE 99 H ILE 99 -10.227 7.869 3.888 791 HA ILE 99 HA ILE 99 -8.620 8.573 1.852 792 HB ILE 99 HB ILE 99 -9.270 5.719 2.597 793 HG12 ILE 99 1HG1 ILE 99 -7.021 7.490 3.569 794 HG13 ILE 99 2HG1 ILE 99 -8.521 7.238 4.456 795 HG21 ILE 99 1HG2 ILE 99 -6.583 6.014 1.788 796 HG22 ILE 99 2HG2 ILE 99 -7.864 5.093 1.002 797 HG23 ILE 99 3HG2 ILE 99 -7.585 6.776 0.553 798 HD11 ILE 99 3HD1 ILE 99 -6.992 4.840 3.630 799 HD12 ILE 99 1HD1 ILE 99 -6.343 5.828 4.939 800 HD13 ILE 99 2HD1 ILE 99 -7.958 5.130 5.077 801 H ALA 100 H ALA 100 -10.917 5.881 1.398 802 HA ALA 100 HA ALA 100 -10.740 5.664 -1.335 803 HB1 ALA 100 3HB ALA 100 -12.501 4.719 0.708 804 HB2 ALA 100 1HB ALA 100 -13.444 5.191 -0.706 805 HB3 ALA 100 2HB ALA 100 -12.143 4.011 -0.867 806 H GLN 101 H GLN 101 -12.523 8.010 0.551 807 HA GLN 101 HA GLN 101 -13.907 9.055 -1.774 808 HB2 GLN 101 1HB GLN 101 -13.884 9.771 1.147 809 HB3 GLN 101 2HB GLN 101 -14.648 10.817 -0.043 810 HG2 GLN 101 1HG GLN 101 -15.377 7.935 0.002 811 HG3 GLN 101 2HG GLN 101 -16.016 8.996 1.255 812 HE21 GLN 101 1HE2 GLN 101 -18.049 9.404 0.755 813 HE22 GLN 101 2HE2 GLN 101 -18.630 9.908 -0.792 814 H CYS 102 H CYS 102 -11.027 9.114 -1.824 815 HA CYS 102 HA CYS 102 -9.226 10.558 -1.978 816 HB2 CYS 102 1HB CYS 102 -9.531 12.107 -3.799 817 HB3 CYS 102 2HB CYS 102 -10.459 10.653 -4.148 818 HG CYS 102 HG CYS 102 -11.616 13.377 -4.732 819 H ALA 103 H ALA 103 -10.600 11.036 0.438 820 HA ALA 103 HA ALA 103 -11.347 13.662 0.938 821 HB1 ALA 103 3HB ALA 103 -9.849 12.492 3.137 822 HB2 ALA 103 1HB ALA 103 -11.547 12.958 3.044 823 HB3 ALA 103 2HB ALA 103 -11.031 11.380 2.447 824 HA PRO 104 HA PRO 104 -7.732 16.148 0.883 825 HB2 PRO 104 1HB PRO 104 -8.050 17.727 3.068 826 HB3 PRO 104 2HB PRO 104 -9.029 17.900 1.607 827 HG2 PRO 104 1HG PRO 104 -9.692 16.519 4.178 828 HG3 PRO 104 2HG PRO 104 -10.708 17.579 3.184 829 HD2 PRO 104 1HD PRO 104 -10.922 14.881 3.123 830 HD3 PRO 104 2HD PRO 104 -11.231 15.896 1.699 831 H GLY 105 H GLY 105 -5.795 15.242 1.249 832 HA2 GLY 105 1HA GLY 105 -4.129 14.067 2.365 833 HA3 GLY 105 2HA GLY 105 -4.259 15.459 3.431 834 H VAL 106 H VAL 106 -5.410 12.170 2.880 835 HA VAL 106 HA VAL 106 -5.768 11.898 5.784 836 HB VAL 106 HB VAL 106 -7.699 10.918 3.678 837 HG11 VAL 106 1HG1 VAL 106 -8.372 9.321 5.065 838 HG12 VAL 106 2HG1 VAL 106 -7.039 9.727 6.146 839 HG13 VAL 106 3HG1 VAL 106 -8.611 10.499 6.354 840 HG21 VAL 106 3HG2 VAL 106 -7.904 12.951 5.889 841 HG22 VAL 106 1HG2 VAL 106 -8.132 13.196 4.157 842 HG23 VAL 106 2HG2 VAL 106 -9.314 12.267 5.079 843 H VAL 107 H VAL 107 -5.752 10.048 2.733 844 HA VAL 107 HA VAL 107 -5.033 7.581 3.816 845 HB VAL 107 HB VAL 107 -5.833 7.856 1.507 846 HG11 VAL 107 1HG1 VAL 107 -3.130 9.112 1.068 847 HG12 VAL 107 2HG1 VAL 107 -4.183 8.557 -0.235 848 HG13 VAL 107 3HG1 VAL 107 -4.711 9.856 0.836 849 HG21 VAL 107 3HG2 VAL 107 -4.504 5.858 2.264 850 HG22 VAL 107 1HG2 VAL 107 -4.496 6.154 0.525 851 HG23 VAL 107 2HG2 VAL 107 -3.096 6.598 1.502 852 H GLU 108 H GLU 108 -3.108 10.389 3.094 853 HA GLU 108 HA GLU 108 -0.568 9.207 2.981 854 HB2 GLU 108 1HB GLU 108 -1.504 11.956 3.774 855 HB3 GLU 108 2HB GLU 108 0.199 11.520 3.795 856 HG2 GLU 108 1HG GLU 108 -0.155 12.570 1.734 857 HG3 GLU 108 2HG GLU 108 -0.079 10.846 1.375 858 H LEU 109 H LEU 109 -2.411 10.489 5.726 859 HA LEU 109 HA LEU 109 -0.567 10.298 7.744 860 HB2 LEU 109 1HB LEU 109 -3.472 9.514 7.928 861 HB3 LEU 109 2HB LEU 109 -2.431 9.967 9.276 862 HG LEU 109 HG LEU 109 -3.029 11.869 7.027 863 HD11 LEU 109 1HD1 LEU 109 -5.092 12.240 7.750 864 HD12 LEU 109 2HD1 LEU 109 -4.531 12.413 9.413 865 HD13 LEU 109 3HD1 LEU 109 -4.939 10.818 8.782 866 HD21 LEU 109 3HD2 LEU 109 -1.175 12.050 8.938 867 HD22 LEU 109 1HD2 LEU 109 -2.551 12.700 9.828 868 HD23 LEU 109 2HD2 LEU 109 -2.044 13.454 8.316 869 H VAL 110 H VAL 110 -2.011 7.736 5.957 870 HA VAL 110 HA VAL 110 -1.103 5.730 7.894 871 HB VAL 110 HB VAL 110 -2.723 5.307 5.379 872 HG11 VAL 110 1HG1 VAL 110 -3.108 3.296 7.346 873 HG12 VAL 110 2HG1 VAL 110 -2.411 3.139 5.732 874 HG13 VAL 110 3HG1 VAL 110 -1.373 3.508 7.110 875 HG21 VAL 110 3HG2 VAL 110 -3.482 6.148 8.091 876 HG22 VAL 110 1HG2 VAL 110 -4.335 6.341 6.560 877 HG23 VAL 110 2HG2 VAL 110 -4.425 4.811 7.431 878 H LEU 111 H LEU 111 -0.429 7.034 4.746 879 HA LEU 111 HA LEU 111 1.195 4.886 3.815 880 HB2 LEU 111 1HB LEU 111 1.046 7.781 2.994 881 HB3 LEU 111 2HB LEU 111 2.000 6.561 2.154 882 HG LEU 111 HG LEU 111 -0.992 6.403 2.476 883 HD11 LEU 111 1HD1 LEU 111 -0.844 7.006 -0.044 884 HD12 LEU 111 2HD1 LEU 111 0.696 7.737 0.403 885 HD13 LEU 111 3HD1 LEU 111 -0.796 8.291 1.163 886 HD21 LEU 111 3HD2 LEU 111 -0.821 4.412 1.510 887 HD22 LEU 111 1HD2 LEU 111 0.931 4.530 1.674 888 HD23 LEU 111 2HD2 LEU 111 0.145 5.080 0.194 889 H ILE 112 H ILE 112 1.868 7.970 5.420 890 HA ILE 112 HA ILE 112 4.620 8.018 5.303 891 HB ILE 112 HB ILE 112 2.626 9.072 7.231 892 HG12 ILE 112 1HG1 ILE 112 5.001 10.422 5.947 893 HG13 ILE 112 2HG1 ILE 112 3.467 10.208 5.110 894 HG21 ILE 112 1HG2 ILE 112 5.482 8.556 7.902 895 HG22 ILE 112 2HG2 ILE 112 4.721 10.037 8.483 896 HG23 ILE 112 3HG2 ILE 112 4.048 8.468 8.925 897 HD11 ILE 112 3HD1 ILE 112 3.492 12.398 6.002 898 HD12 ILE 112 1HD1 ILE 112 2.380 11.451 6.990 899 HD13 ILE 112 2HD1 ILE 112 3.998 11.817 7.588 900 HA PRO 113 HA PRO 113 4.854 5.383 9.350 901 HB2 PRO 113 1HB PRO 113 2.571 4.167 10.174 902 HB3 PRO 113 2HB PRO 113 3.036 5.791 10.694 903 HG2 PRO 113 1HG PRO 113 1.107 4.965 8.559 904 HG3 PRO 113 2HG PRO 113 0.945 6.241 9.780 905 HD2 PRO 113 1HD PRO 113 1.638 6.760 7.214 906 HD3 PRO 113 2HD PRO 113 2.232 7.729 8.579 907 H LEU 114 H LEU 114 2.885 4.446 6.646 908 HA LEU 114 HA LEU 114 2.878 1.689 6.828 909 HB2 LEU 114 1HB LEU 114 1.770 3.146 5.090 910 HB3 LEU 114 2HB LEU 114 3.329 3.210 4.272 911 HG LEU 114 HG LEU 114 3.104 0.585 4.355 912 HD11 LEU 114 1HD1 LEU 114 0.288 0.849 3.822 913 HD12 LEU 114 2HD1 LEU 114 0.663 1.345 5.472 914 HD13 LEU 114 3HD1 LEU 114 1.128 -0.259 4.907 915 HD21 LEU 114 3HD2 LEU 114 1.457 1.102 2.219 916 HD22 LEU 114 1HD2 LEU 114 3.219 1.178 2.205 917 HD23 LEU 114 2HD2 LEU 114 2.275 2.645 2.467 918 H ARG 115 H ARG 115 5.317 3.714 5.194 919 HA ARG 115 HA ARG 115 7.062 1.657 4.488 920 HB2 ARG 115 1HB ARG 115 7.327 3.840 3.525 921 HB3 ARG 115 2HB ARG 115 7.593 4.563 5.106 922 HG2 ARG 115 1HG ARG 115 9.619 2.885 5.163 923 HG3 ARG 115 2HG ARG 115 9.440 2.973 3.410 924 HD2 ARG 115 1HD ARG 115 9.598 5.426 3.540 925 HD3 ARG 115 2HD ARG 115 9.830 5.304 5.284 926 HE ARG 115 HE ARG 115 11.786 3.727 4.172 927 HH11 ARG 115 1HH1 ARG 115 10.837 7.071 3.972 928 HH12 ARG 115 2HH1 ARG 115 12.443 7.643 3.664 929 HH21 ARG 115 1HH2 ARG 115 13.904 4.468 3.767 930 HH22 ARG 115 2HH2 ARG 115 14.187 6.162 3.547 931 H GLN 116 H GLN 116 6.974 3.662 7.415 932 HA GLN 116 HA GLN 116 9.266 2.821 8.676 933 HB2 GLN 116 1HB GLN 116 6.573 3.625 9.733 934 HB3 GLN 116 2HB GLN 116 7.854 3.132 10.833 935 HG2 GLN 116 1HG GLN 116 8.471 5.202 8.797 936 HG3 GLN 116 2HG GLN 116 7.476 5.653 10.180 937 HE21 GLN 116 1HE2 GLN 116 8.893 6.915 11.251 938 HE22 GLN 116 2HE2 GLN 116 10.396 6.361 11.897 939 H ARG 117 H ARG 117 6.035 1.349 9.023 940 HA ARG 117 HA ARG 117 6.808 -0.790 10.639 941 HB2 ARG 117 1HB ARG 117 4.506 -0.262 8.816 942 HB3 ARG 117 2HB ARG 117 4.736 -1.899 9.415 943 HG2 ARG 117 1HG ARG 117 3.271 -0.948 10.942 944 HG3 ARG 117 2HG ARG 117 4.840 -0.823 11.739 945 HD2 ARG 117 1HD ARG 117 5.021 1.481 11.216 946 HD3 ARG 117 2HD ARG 117 3.664 1.403 10.093 947 HE ARG 117 HE ARG 117 2.254 1.711 11.859 948 HH11 ARG 117 1HH1 ARG 117 5.327 0.606 13.065 949 HH12 ARG 117 2HH1 ARG 117 4.891 0.801 14.730 950 HH21 ARG 117 1HH2 ARG 117 1.668 1.973 14.048 951 HH22 ARG 117 2HH2 ARG 117 2.809 1.578 15.288 952 H LEU 118 H LEU 118 6.418 -0.675 7.101 953 HA LEU 118 HA LEU 118 7.075 -3.276 6.481 954 HB2 LEU 118 1HB LEU 118 7.702 -0.734 4.995 955 HB3 LEU 118 2HB LEU 118 7.938 -2.343 4.316 956 HG LEU 118 HG LEU 118 5.248 -1.442 5.297 957 HD11 LEU 118 1HD1 LEU 118 6.695 -0.612 2.864 958 HD12 LEU 118 2HD1 LEU 118 5.393 0.189 3.744 959 HD13 LEU 118 3HD1 LEU 118 5.026 -1.138 2.642 960 HD21 LEU 118 3HD2 LEU 118 4.499 -3.106 3.624 961 HD22 LEU 118 1HD2 LEU 118 5.489 -3.805 4.906 962 HD23 LEU 118 2HD2 LEU 118 6.188 -3.510 3.314 963 H GLU 119 H GLU 119 9.278 -0.528 6.935 964 HA GLU 119 HA GLU 119 11.682 -1.654 6.273 965 HB2 GLU 119 1HB GLU 119 10.973 0.273 8.476 966 HB3 GLU 119 2HB GLU 119 12.637 -0.195 8.153 967 HG2 GLU 119 1HG GLU 119 12.337 0.606 5.816 968 HG3 GLU 119 2HG GLU 119 10.751 1.216 6.284 969 H GLU 120 H GLU 120 10.085 -1.843 9.449 970 HA GLU 120 HA GLU 120 12.003 -3.373 10.760 971 HB2 GLU 120 1HB GLU 120 9.875 -2.240 11.683 972 HB3 GLU 120 2HB GLU 120 9.055 -3.730 11.239 973 HG2 GLU 120 1HG GLU 120 9.614 -3.896 13.529 974 HG3 GLU 120 2HG GLU 120 10.710 -4.961 12.651 975 H ARG 121 H ARG 121 9.712 -4.273 8.339 976 HA ARG 121 HA ARG 121 9.967 -7.116 8.887 977 HB2 ARG 121 1HB ARG 121 8.359 -5.468 6.967 978 HB3 ARG 121 2HB ARG 121 8.571 -7.190 6.679 979 HG2 ARG 121 1HG ARG 121 7.665 -6.328 9.371 980 HG3 ARG 121 2HG ARG 121 6.517 -6.246 8.033 981 HD2 ARG 121 1HD ARG 121 6.457 -8.514 7.763 982 HD3 ARG 121 2HD ARG 121 8.102 -8.736 8.357 983 HE ARG 121 HE ARG 121 6.610 -7.880 10.516 984 HH11 ARG 121 1HH1 ARG 121 6.601 -10.580 8.319 985 HH12 ARG 121 2HH1 ARG 121 5.930 -11.684 9.473 986 HH21 ARG 121 1HH2 ARG 121 5.727 -9.324 12.044 987 HH22 ARG 121 2HH2 ARG 121 5.432 -10.969 11.591 988 H GLN 122 H GLN 122 11.028 -4.744 6.507 989 HA GLN 122 HA GLN 122 12.030 -6.244 4.486 990 HB2 GLN 122 1HB GLN 122 12.183 -3.702 4.880 991 HB3 GLN 122 2HB GLN 122 13.704 -4.055 5.690 992 HG2 GLN 122 1HG GLN 122 14.435 -5.211 3.583 993 HG3 GLN 122 2HG GLN 122 12.993 -4.549 2.814 994 HE21 GLN 122 1HE2 GLN 122 16.038 -4.115 2.655 995 HE22 GLN 122 2HE2 GLN 122 16.187 -2.394 2.638 996 H ARG 123 H ARG 123 14.088 -5.268 7.233 997 HA ARG 123 HA ARG 123 16.256 -6.855 6.744 998 HB2 ARG 123 1HB ARG 123 16.915 -6.496 8.949 999 HB3 ARG 123 2HB ARG 123 15.823 -5.152 8.645 1000 HG2 ARG 123 1HG ARG 123 14.008 -6.583 9.695 1001 HG3 ARG 123 2HG ARG 123 15.311 -7.641 10.240 1002 HD2 ARG 123 1HD ARG 123 15.318 -4.689 10.794 1003 HD3 ARG 123 2HD ARG 123 14.497 -5.834 11.854 1004 HE ARG 123 HE ARG 123 16.554 -6.633 12.559 1005 HH11 ARG 123 1HH1 ARG 123 16.945 -4.364 9.947 1006 HH12 ARG 123 2HH1 ARG 123 18.655 -4.199 10.173 1007 HH21 ARG 123 1HH2 ARG 123 18.804 -6.423 12.867 1008 HH22 ARG 123 2HH2 ARG 123 19.711 -5.371 11.834 1009 H ARG 124 H ARG 124 13.238 -7.785 8.320 1010 HA ARG 124 HA ARG 124 14.199 -10.515 8.683 1011 HB2 ARG 124 1HB ARG 124 11.625 -9.153 9.486 1012 HB3 ARG 124 2HB ARG 124 11.967 -10.852 9.780 1013 HG2 ARG 124 1HG ARG 124 13.936 -10.179 11.119 1014 HG3 ARG 124 2HG ARG 124 13.464 -8.493 10.898 1015 HD2 ARG 124 1HD ARG 124 11.601 -10.541 12.066 1016 HD3 ARG 124 2HD ARG 124 12.743 -9.638 13.060 1017 HE ARG 124 HE ARG 124 11.456 -7.743 12.785 1018 HH11 ARG 124 1HH1 ARG 124 10.334 -10.273 10.673 1019 HH12 ARG 124 2HH1 ARG 124 8.871 -9.448 10.248 1020 HH21 ARG 124 1HH2 ARG 124 9.533 -6.647 12.233 1021 HH22 ARG 124 2HH2 ARG 124 8.417 -7.385 11.135 1022 H ARG 125 H ARG 125 14.289 -11.409 6.657 1023 HA ARG 125 HA ARG 125 11.697 -11.861 5.362 1024 HB2 ARG 125 1HB ARG 125 12.582 -11.445 3.168 1025 HB3 ARG 125 2HB ARG 125 12.915 -10.037 4.167 1026 HG2 ARG 125 1HG ARG 125 15.171 -10.408 4.185 1027 HG3 ARG 125 2HG ARG 125 14.997 -12.147 3.944 1028 HD2 ARG 125 1HD ARG 125 14.654 -11.922 1.658 1029 HD3 ARG 125 2HD ARG 125 14.180 -10.230 1.797 1030 HE ARG 125 HE ARG 125 16.850 -11.269 1.550 1031 HH11 ARG 125 1HH1 ARG 125 14.899 -8.596 2.629 1032 HH12 ARG 125 2HH1 ARG 125 16.183 -7.439 2.506 1033 HH21 ARG 125 1HH2 ARG 125 18.549 -9.757 1.384 1034 HH22 ARG 125 2HH2 ARG 125 18.259 -8.101 1.796 1035 H LYS 126 H LYS 126 11.950 -13.619 3.617 1036 HA LYS 126 HA LYS 126 13.729 -15.718 4.674 1037 HB2 LYS 126 1HB LYS 126 10.901 -15.784 3.717 1038 HB3 LYS 126 2HB LYS 126 11.903 -17.208 3.471 1039 HG2 LYS 126 1HG LYS 126 12.428 -16.799 6.044 1040 HG3 LYS 126 2HG LYS 126 10.834 -16.044 5.973 1041 HD2 LYS 126 1HD LYS 126 10.202 -18.188 6.421 1042 HD3 LYS 126 2HD LYS 126 10.254 -18.276 4.658 1043 HE2 LYS 126 1HE LYS 126 12.740 -18.869 6.182 1044 HE3 LYS 126 2HE LYS 126 11.455 -20.076 6.177 1045 HZ1 LYS 126 3HZ LYS 126 11.721 -19.273 3.560 1046 HZ2 LYS 126 1HZ LYS 126 12.245 -20.736 4.229 1047 HZ3 LYS 126 2HZ LYS 126 13.308 -19.424 4.126 1048 H GLN 127 H GLN 127 15.199 -16.533 3.329 1049 HA GLN 127 HA GLN 127 15.293 -15.606 0.595 1050 HB2 GLN 127 1HB GLN 127 17.141 -17.083 2.415 1051 HB3 GLN 127 2HB GLN 127 17.397 -17.210 0.679 1052 HG2 GLN 127 1HG GLN 127 17.315 -14.654 2.267 1053 HG3 GLN 127 2HG GLN 127 18.764 -15.455 1.663 1054 HE21 GLN 127 1HE2 GLN 127 18.616 -15.931 -0.779 1055 HE22 GLN 127 2HE2 GLN 127 18.081 -14.611 -1.757 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.775 25.138 13.191 2 HA2 GLY 1 1HA GLY 1 -7.935 26.289 10.633 3 HA3 GLY 1 2HA GLY 1 -8.688 27.157 11.962 4 H SER 2 H SER 2 -7.194 28.779 12.140 5 HA SER 2 HA SER 2 -4.409 28.457 12.069 6 HB2 SER 2 1HB SER 2 -5.909 30.600 13.587 7 HB3 SER 2 2HB SER 2 -4.272 30.699 12.938 8 HG SER 2 HG SER 2 -5.561 30.167 10.852 9 H SER 3 H SER 3 -2.855 28.500 13.755 10 HA SER 3 HA SER 3 -3.579 28.222 16.496 11 HB2 SER 3 1HB SER 3 -4.235 26.006 16.040 12 HB3 SER 3 2HB SER 3 -2.902 25.750 14.915 13 HG SER 3 HG SER 3 -2.973 25.190 17.492 14 H GLY 4 H GLY 4 -1.911 28.875 17.706 15 HA2 GLY 4 1HA GLY 4 0.428 29.903 16.690 16 HA3 GLY 4 2HA GLY 4 0.237 29.376 18.356 17 H SER 5 H SER 5 2.609 29.238 16.699 18 HA SER 5 HA SER 5 3.023 26.326 16.786 19 HB2 SER 5 1HB SER 5 4.352 26.389 14.790 20 HB3 SER 5 2HB SER 5 2.836 27.216 14.430 21 HG SER 5 HG SER 5 3.870 29.061 14.240 22 H SER 6 H SER 6 3.580 27.785 18.971 23 HA SER 6 HA SER 6 6.334 28.676 18.932 24 HB2 SER 6 1HB SER 6 5.828 28.812 21.504 25 HB3 SER 6 2HB SER 6 5.092 29.976 20.403 26 HG SER 6 HG SER 6 3.872 27.597 21.361 27 H GLY 7 H GLY 7 5.576 25.822 18.386 28 HA2 GLY 7 1HA GLY 7 7.753 24.529 19.473 29 HA3 GLY 7 2HA GLY 7 6.446 24.266 20.617 30 H MET 8 H MET 8 6.225 22.083 20.295 31 HA MET 8 HA MET 8 5.695 21.136 17.577 32 HB2 MET 8 1HB MET 8 6.299 19.715 20.165 33 HB3 MET 8 2HB MET 8 5.748 18.859 18.731 34 HG2 MET 8 1HG MET 8 8.261 20.491 18.995 35 HG3 MET 8 2HG MET 8 8.144 18.736 18.896 36 HE1 MET 8 3HE MET 8 9.504 21.102 15.786 37 HE2 MET 8 1HE MET 8 8.126 22.074 16.303 38 HE3 MET 8 2HE MET 8 9.284 21.482 17.495 39 H ALA 9 H ALA 9 3.633 22.523 17.928 40 HA ALA 9 HA ALA 9 1.530 20.730 18.950 41 HB1 ALA 9 3HB ALA 9 0.273 22.587 19.760 42 HB2 ALA 9 1HB ALA 9 1.910 22.733 20.402 43 HB3 ALA 9 2HB ALA 9 1.401 23.738 19.044 44 H SER 10 H SER 10 2.524 20.795 16.287 45 HA SER 10 HA SER 10 0.077 21.621 14.897 46 HB2 SER 10 1HB SER 10 2.864 22.509 14.312 47 HB3 SER 10 2HB SER 10 1.797 22.189 12.945 48 HG SER 10 HG SER 10 0.789 23.732 15.037 49 H SER 11 H SER 11 -0.349 20.464 12.949 50 HA SER 11 HA SER 11 0.621 17.742 13.051 51 HB2 SER 11 1HB SER 11 -1.585 19.175 11.640 52 HB3 SER 11 2HB SER 11 -1.010 17.656 10.953 53 HG SER 11 HG SER 11 -2.241 18.139 13.433 54 H VAL 12 H VAL 12 1.344 16.606 11.103 55 HA VAL 12 HA VAL 12 3.632 17.517 9.997 56 HB VAL 12 HB VAL 12 1.599 15.797 8.570 57 HG11 VAL 12 1HG1 VAL 12 3.942 16.914 7.563 58 HG12 VAL 12 2HG1 VAL 12 4.371 15.252 7.973 59 HG13 VAL 12 3HG1 VAL 12 3.025 15.573 6.878 60 HG21 VAL 12 3HG2 VAL 12 3.997 14.680 9.916 61 HG22 VAL 12 1HG2 VAL 12 2.658 15.212 10.934 62 HG23 VAL 12 2HG2 VAL 12 2.392 13.982 9.698 63 H ASP 13 H ASP 13 4.258 18.989 8.548 64 HA ASP 13 HA ASP 13 2.198 20.552 7.192 65 HB2 ASP 13 1HB ASP 13 5.168 21.041 7.501 66 HB3 ASP 13 2HB ASP 13 4.035 22.144 6.726 67 H GLU 14 H GLU 14 2.932 21.409 4.950 68 HA GLU 14 HA GLU 14 2.874 19.305 3.137 69 HB2 GLU 14 1HB GLU 14 3.865 22.125 2.681 70 HB3 GLU 14 2HB GLU 14 3.421 20.986 1.417 71 HG2 GLU 14 1HG GLU 14 1.477 21.804 3.545 72 HG3 GLU 14 2HG GLU 14 1.717 22.763 2.085 73 H GLU 15 H GLU 15 5.638 21.293 4.159 74 HA GLU 15 HA GLU 15 7.613 20.286 2.545 75 HB2 GLU 15 1HB GLU 15 9.202 20.854 4.339 76 HB3 GLU 15 2HB GLU 15 8.007 22.119 4.093 77 HG2 GLU 15 1HG GLU 15 6.745 21.267 6.028 78 HG3 GLU 15 2HG GLU 15 8.009 20.067 6.294 79 H ALA 16 H ALA 16 6.475 18.937 5.626 80 HA ALA 16 HA ALA 16 8.264 16.725 5.603 81 HB1 ALA 16 3HB ALA 16 7.577 16.738 7.716 82 HB2 ALA 16 1HB ALA 16 6.191 17.756 7.322 83 HB3 ALA 16 2HB ALA 16 6.072 16.003 7.165 84 H LEU 17 H LEU 17 4.924 17.193 4.549 85 HA LEU 17 HA LEU 17 4.282 14.526 4.008 86 HB2 LEU 17 1HB LEU 17 3.326 17.135 2.884 87 HB3 LEU 17 2HB LEU 17 2.713 15.601 2.271 88 HG LEU 17 HG LEU 17 2.507 16.503 5.142 89 HD11 LEU 17 1HD1 LEU 17 0.249 16.366 3.176 90 HD12 LEU 17 2HD1 LEU 17 1.210 17.831 3.375 91 HD13 LEU 17 3HD1 LEU 17 0.311 17.174 4.743 92 HD21 LEU 17 3HD2 LEU 17 0.891 14.657 5.310 93 HD22 LEU 17 1HD2 LEU 17 2.511 14.091 4.900 94 HD23 LEU 17 2HD2 LEU 17 1.270 14.191 3.651 95 H HIS 18 H HIS 18 5.610 17.025 1.849 96 HA HIS 18 HA HIS 18 5.733 15.797 -0.541 97 HB2 HIS 18 1HB HIS 18 6.744 18.042 0.134 98 HB3 HIS 18 2HB HIS 18 8.184 17.139 0.595 99 HD1 HIS 18 1HD HIS 18 9.520 18.406 -1.257 100 HD2 HIS 18 2HD HIS 18 6.422 16.025 -2.672 101 HE1 HIS 18 1HE HIS 18 9.914 18.190 -3.732 102 HE2 HIS 18 2HE HIS 18 7.980 16.816 -4.579 103 H GLN 19 H GLN 19 8.176 15.325 2.012 104 HA GLN 19 HA GLN 19 9.864 13.556 0.841 105 HB2 GLN 19 1HB GLN 19 8.797 13.296 3.657 106 HB3 GLN 19 2HB GLN 19 10.304 12.620 3.055 107 HG2 GLN 19 1HG GLN 19 9.625 15.536 3.353 108 HG3 GLN 19 2HG GLN 19 10.760 14.603 4.327 109 HE21 GLN 19 1HE2 GLN 19 12.352 13.339 2.751 110 HE22 GLN 19 2HE2 GLN 19 13.146 14.366 1.611 111 H LEU 20 H LEU 20 6.698 12.805 2.227 112 HA LEU 20 HA LEU 20 6.868 10.001 1.823 113 HB2 LEU 20 1HB LEU 20 5.309 10.710 3.417 114 HB3 LEU 20 2HB LEU 20 4.611 11.908 2.329 115 HG LEU 20 HG LEU 20 3.675 10.025 0.979 116 HD11 LEU 20 1HD1 LEU 20 4.462 8.330 3.341 117 HD12 LEU 20 2HD1 LEU 20 5.299 8.324 1.789 118 HD13 LEU 20 3HD1 LEU 20 3.615 7.811 1.883 119 HD21 LEU 20 3HD2 LEU 20 2.403 9.399 3.463 120 HD22 LEU 20 1HD2 LEU 20 1.820 10.402 2.135 121 HD23 LEU 20 2HD2 LEU 20 2.795 11.119 3.419 122 H TYR 21 H TYR 21 5.660 12.676 -0.119 123 HA TYR 21 HA TYR 21 4.364 11.162 -2.103 124 HB2 TYR 21 1HB TYR 21 5.415 13.939 -1.895 125 HB3 TYR 21 2HB TYR 21 5.070 13.322 -3.507 126 HD1 TYR 21 1HD TYR 21 3.517 13.732 -0.143 127 HD2 TYR 21 2HD TYR 21 2.899 13.422 -4.341 128 HE1 TYR 21 1HE TYR 21 1.136 14.258 0.175 129 HE2 TYR 21 2HE TYR 21 0.516 13.948 -4.035 130 HH TYR 21 HH TYR 21 -0.809 14.666 -0.820 131 H LEU 22 H LEU 22 7.700 12.292 -1.803 132 HA LEU 22 HA LEU 22 8.610 11.529 -4.338 133 HB2 LEU 22 1HB LEU 22 10.135 11.594 -1.738 134 HB3 LEU 22 2HB LEU 22 10.849 11.554 -3.349 135 HG LEU 22 HG LEU 22 9.038 13.802 -2.555 136 HD11 LEU 22 1HD1 LEU 22 10.439 14.355 -0.909 137 HD12 LEU 22 2HD1 LEU 22 11.576 14.779 -2.188 138 HD13 LEU 22 3HD1 LEU 22 11.655 13.189 -1.430 139 HD21 LEU 22 3HD2 LEU 22 11.344 13.517 -4.477 140 HD22 LEU 22 1HD2 LEU 22 10.465 15.014 -4.167 141 HD23 LEU 22 2HD2 LEU 22 9.632 13.636 -4.887 142 H TRP 23 H TRP 23 8.801 9.765 -1.247 143 HA TRP 23 HA TRP 23 10.070 7.489 -1.923 144 HB2 TRP 23 1HB TRP 23 9.300 7.609 0.289 145 HB3 TRP 23 2HB TRP 23 7.635 7.900 -0.209 146 HD1 TRP 23 HD TRP 23 10.197 4.988 -0.530 147 HE1 TRP 23 1HE TRP 23 8.919 2.779 -0.195 148 HE3 TRP 23 3HE TRP 23 5.478 6.864 0.058 149 HZ2 TRP 23 2HZ TRP 23 6.261 1.943 0.259 150 HZ3 TRP 23 3HZ TRP 23 3.623 5.292 0.438 151 HH2 TRP 23 HH TRP 23 4.009 2.883 0.535 152 H VAL 24 H VAL 24 6.716 8.261 -2.739 153 HA VAL 24 HA VAL 24 6.125 5.762 -3.947 154 HB VAL 24 HB VAL 24 4.823 8.451 -4.399 155 HG11 VAL 24 1HG1 VAL 24 4.018 5.658 -5.168 156 HG12 VAL 24 2HG1 VAL 24 2.861 6.985 -5.060 157 HG13 VAL 24 3HG1 VAL 24 4.198 7.071 -6.207 158 HG21 VAL 24 3HG2 VAL 24 3.088 7.036 -2.887 159 HG22 VAL 24 1HG2 VAL 24 4.624 6.431 -2.266 160 HG23 VAL 24 2HG2 VAL 24 4.277 8.160 -2.230 161 H ASP 25 H ASP 25 7.356 8.830 -5.173 162 HA ASP 25 HA ASP 25 7.179 8.231 -7.919 163 HB2 ASP 25 1HB ASP 25 8.777 10.171 -6.289 164 HB3 ASP 25 2HB ASP 25 9.155 9.958 -7.997 165 H ASN 26 H ASN 26 9.788 7.766 -5.567 166 HA ASN 26 HA ASN 26 11.796 6.895 -7.260 167 HB2 ASN 26 1HB ASN 26 11.335 5.631 -4.567 168 HB3 ASN 26 2HB ASN 26 12.864 6.001 -5.360 169 HD21 ASN 26 1HD2 ASN 26 12.047 6.730 -2.715 170 HD22 ASN 26 2HD2 ASN 26 12.050 8.456 -2.641 171 H ILE 27 H ILE 27 9.332 4.924 -5.609 172 HA ILE 27 HA ILE 27 10.070 2.425 -6.512 173 HB ILE 27 HB ILE 27 7.265 3.465 -6.096 174 HG12 ILE 27 1HG1 ILE 27 8.712 1.715 -4.157 175 HG13 ILE 27 2HG1 ILE 27 9.140 3.421 -4.218 176 HG21 ILE 27 1HG2 ILE 27 7.390 1.385 -7.452 177 HG22 ILE 27 2HG2 ILE 27 8.221 0.608 -6.105 178 HG23 ILE 27 3HG2 ILE 27 6.564 1.177 -5.908 179 HD11 ILE 27 3HD1 ILE 27 7.238 2.448 -2.629 180 HD12 ILE 27 1HD1 ILE 27 7.191 4.080 -3.296 181 HD13 ILE 27 2HD1 ILE 27 6.264 2.788 -4.059 182 HA PRO 28 HA PRO 28 9.489 2.628 -10.891 183 HB2 PRO 28 1HB PRO 28 9.613 -0.038 -11.385 184 HB3 PRO 28 2HB PRO 28 11.039 0.937 -11.011 185 HG2 PRO 28 1HG PRO 28 9.434 -0.839 -9.213 186 HG3 PRO 28 2HG PRO 28 11.195 -0.668 -9.336 187 HD2 PRO 28 1HD PRO 28 9.748 0.526 -7.383 188 HD3 PRO 28 2HD PRO 28 11.224 1.248 -8.054 189 H LEU 29 H LEU 29 7.273 3.380 -10.711 190 HA LEU 29 HA LEU 29 5.324 1.230 -11.218 191 HB2 LEU 29 1HB LEU 29 5.056 3.726 -9.582 192 HB3 LEU 29 2HB LEU 29 3.641 2.945 -10.285 193 HG LEU 29 HG LEU 29 5.540 1.474 -8.478 194 HD11 LEU 29 1HD1 LEU 29 3.055 2.970 -7.659 195 HD12 LEU 29 2HD1 LEU 29 4.708 3.466 -7.300 196 HD13 LEU 29 3HD1 LEU 29 4.071 1.968 -6.622 197 HD21 LEU 29 3HD2 LEU 29 2.850 0.992 -9.662 198 HD22 LEU 29 1HD2 LEU 29 3.218 0.310 -8.078 199 HD23 LEU 29 2HD2 LEU 29 4.215 -0.109 -9.471 200 H SER 30 H SER 30 4.325 1.343 -13.117 201 HA SER 30 HA SER 30 4.868 3.516 -14.909 202 HB2 SER 30 1HB SER 30 3.014 1.149 -15.267 203 HB3 SER 30 2HB SER 30 3.589 2.221 -16.544 204 HG SER 30 HG SER 30 4.730 0.036 -15.746 205 H ARG 31 H ARG 31 3.630 4.678 -12.839 206 HA ARG 31 HA ARG 31 0.941 5.276 -13.885 207 HB2 ARG 31 1HB ARG 31 1.763 5.423 -10.982 208 HB3 ARG 31 2HB ARG 31 0.148 5.649 -11.641 209 HG2 ARG 31 1HG ARG 31 1.554 3.059 -12.085 210 HG3 ARG 31 2HG ARG 31 0.818 3.396 -10.517 211 HD2 ARG 31 1HD ARG 31 -0.885 2.323 -11.671 212 HD3 ARG 31 2HD ARG 31 -1.272 4.029 -11.891 213 HE ARG 31 HE ARG 31 0.340 3.122 -14.023 214 HH11 ARG 31 1HH1 ARG 31 -2.894 2.872 -12.757 215 HH12 ARG 31 2HH1 ARG 31 -3.617 2.583 -14.305 216 HH21 ARG 31 1HH2 ARG 31 -0.601 2.743 -16.066 217 HH22 ARG 31 2HH2 ARG 31 -2.312 2.510 -16.186 218 HA PRO 32 HA PRO 32 2.180 9.477 -14.206 219 HB2 PRO 32 1HB PRO 32 -0.182 10.740 -13.766 220 HB3 PRO 32 2HB PRO 32 0.172 9.857 -15.256 221 HG2 PRO 32 1HG PRO 32 -1.395 8.979 -12.861 222 HG3 PRO 32 2HG PRO 32 -1.761 8.755 -14.582 223 HD2 PRO 32 1HD PRO 32 -0.694 6.793 -13.051 224 HD3 PRO 32 2HD PRO 32 -0.330 6.959 -14.781 225 H LYS 33 H LYS 33 3.551 9.802 -12.454 226 HA LYS 33 HA LYS 33 3.149 9.873 -9.804 227 HB2 LYS 33 1HB LYS 33 4.876 11.571 -9.612 228 HB3 LYS 33 2HB LYS 33 5.287 10.441 -10.896 229 HG2 LYS 33 1HG LYS 33 3.838 12.944 -11.597 230 HG3 LYS 33 2HG LYS 33 5.562 13.023 -11.228 231 HD2 LYS 33 1HD LYS 33 4.242 11.329 -13.348 232 HD3 LYS 33 2HD LYS 33 5.253 12.752 -13.611 233 HE2 LYS 33 1HE LYS 33 7.009 11.369 -12.238 234 HE3 LYS 33 2HE LYS 33 6.023 10.000 -12.750 235 HZ1 LYS 33 3HZ LYS 33 6.351 11.404 -15.038 236 HZ2 LYS 33 1HZ LYS 33 7.266 10.055 -14.583 237 HZ3 LYS 33 2HZ LYS 33 7.847 11.614 -14.276 238 H ARG 34 H ARG 34 1.853 12.154 -12.093 239 HA ARG 34 HA ARG 34 0.952 13.988 -10.040 240 HB2 ARG 34 1HB ARG 34 0.752 13.899 -13.033 241 HB3 ARG 34 2HB ARG 34 -0.265 14.998 -12.112 242 HG2 ARG 34 1HG ARG 34 1.719 16.035 -11.143 243 HG3 ARG 34 2HG ARG 34 2.744 14.925 -12.054 244 HD2 ARG 34 1HD ARG 34 1.911 15.834 -14.145 245 HD3 ARG 34 2HD ARG 34 0.809 16.894 -13.267 246 HE ARG 34 HE ARG 34 3.446 17.369 -12.409 247 HH11 ARG 34 1HH1 ARG 34 1.384 17.840 -15.174 248 HH12 ARG 34 2HH1 ARG 34 2.227 19.249 -15.727 249 HH21 ARG 34 1HH2 ARG 34 4.564 19.223 -13.127 250 HH22 ARG 34 2HH2 ARG 34 4.036 20.034 -14.562 251 H ASN 35 H ASN 35 -1.135 14.268 -9.340 252 HA ASN 35 HA ASN 35 -3.253 13.678 -8.760 253 HB2 ASN 35 1HB ASN 35 -3.263 12.744 -11.635 254 HB3 ASN 35 2HB ASN 35 -4.699 12.764 -10.615 255 HD21 ASN 35 1HD2 ASN 35 -2.094 15.125 -10.659 256 HD22 ASN 35 2HD2 ASN 35 -3.057 16.449 -11.212 257 H LEU 36 H LEU 36 -1.105 11.839 -8.198 258 HA LEU 36 HA LEU 36 -1.819 9.167 -8.739 259 HB2 LEU 36 1HB LEU 36 -0.268 8.569 -6.989 260 HB3 LEU 36 2HB LEU 36 0.409 9.852 -7.990 261 HG LEU 36 HG LEU 36 -0.590 11.372 -6.055 262 HD11 LEU 36 1HD1 LEU 36 0.139 9.921 -3.931 263 HD12 LEU 36 2HD1 LEU 36 -0.518 8.635 -4.943 264 HD13 LEU 36 3HD1 LEU 36 -1.526 10.016 -4.507 265 HD21 LEU 36 3HD2 LEU 36 1.945 10.344 -6.762 266 HD22 LEU 36 1HD2 LEU 36 1.838 10.312 -5.002 267 HD23 LEU 36 2HD2 LEU 36 1.573 11.822 -5.874 268 H SER 37 H SER 37 -2.634 11.356 -6.093 269 HA SER 37 HA SER 37 -3.803 9.619 -4.305 270 HB2 SER 37 1HB SER 37 -3.488 12.043 -3.901 271 HB3 SER 37 2HB SER 37 -4.809 12.385 -5.018 272 HG SER 37 HG SER 37 -6.203 11.846 -3.531 273 H ARG 38 H ARG 38 -5.228 11.064 -7.202 274 HA ARG 38 HA ARG 38 -7.859 10.288 -6.914 275 HB2 ARG 38 1HB ARG 38 -7.179 11.709 -8.739 276 HB3 ARG 38 2HB ARG 38 -6.171 10.437 -9.415 277 HG2 ARG 38 1HG ARG 38 -8.353 9.100 -9.624 278 HG3 ARG 38 2HG ARG 38 -9.156 10.653 -9.383 279 HD2 ARG 38 1HD ARG 38 -7.670 11.513 -11.274 280 HD3 ARG 38 2HD ARG 38 -7.317 9.818 -11.607 281 HE ARG 38 HE ARG 38 -10.093 10.131 -11.483 282 HH11 ARG 38 1HH1 ARG 38 -7.405 11.094 -13.475 283 HH12 ARG 38 2HH1 ARG 38 -8.346 11.187 -14.926 284 HH21 ARG 38 1HH2 ARG 38 -11.343 10.251 -13.387 285 HH22 ARG 38 2HH2 ARG 38 -10.586 10.709 -14.875 286 H ASP 39 H ASP 39 -5.206 8.432 -8.391 287 HA ASP 39 HA ASP 39 -6.822 6.116 -8.833 288 HB2 ASP 39 1HB ASP 39 -4.376 5.094 -9.043 289 HB3 ASP 39 2HB ASP 39 -5.066 6.108 -10.307 290 H PHE 40 H PHE 40 -4.234 6.893 -6.515 291 HA PHE 40 HA PHE 40 -4.046 4.587 -5.094 292 HB2 PHE 40 1HB PHE 40 -3.827 7.458 -4.341 293 HB3 PHE 40 2HB PHE 40 -3.881 6.280 -3.035 294 HD1 PHE 40 2HD PHE 40 -2.275 6.187 -6.397 295 HD2 PHE 40 1HD PHE 40 -1.761 6.064 -2.173 296 HE1 PHE 40 2HE PHE 40 0.125 5.741 -6.705 297 HE2 PHE 40 1HE PHE 40 0.640 5.619 -2.475 298 HZ PHE 40 HZ PHE 40 1.586 5.456 -4.743 299 H SER 41 H SER 41 -6.643 6.947 -4.932 300 HA SER 41 HA SER 41 -7.976 6.219 -2.654 301 HB2 SER 41 1HB SER 41 -8.732 8.066 -4.044 302 HB3 SER 41 2HB SER 41 -9.171 6.952 -5.338 303 HG SER 41 HG SER 41 -10.847 7.756 -3.722 304 H ASP 42 H ASP 42 -8.034 4.603 -5.793 305 HA ASP 42 HA ASP 42 -10.067 2.761 -5.306 306 HB2 ASP 42 1HB ASP 42 -7.570 2.460 -6.988 307 HB3 ASP 42 2HB ASP 42 -8.950 1.366 -7.044 308 H GLY 43 H GLY 43 -6.599 2.567 -4.594 309 HA2 GLY 43 1HA GLY 43 -5.948 1.475 -2.509 310 HA3 GLY 43 2HA GLY 43 -7.206 0.288 -2.817 311 H VAL 44 H VAL 44 -6.659 -0.134 -5.573 312 HA VAL 44 HA VAL 44 -4.939 -2.247 -5.553 313 HB VAL 44 HB VAL 44 -5.530 -0.350 -7.822 314 HG11 VAL 44 1HG1 VAL 44 -3.778 -2.744 -7.706 315 HG12 VAL 44 2HG1 VAL 44 -4.794 -2.532 -9.133 316 HG13 VAL 44 3HG1 VAL 44 -3.634 -1.282 -8.681 317 HG21 VAL 44 3HG2 VAL 44 -6.665 -2.804 -8.351 318 HG22 VAL 44 1HG2 VAL 44 -6.881 -2.624 -6.610 319 HG23 VAL 44 2HG2 VAL 44 -7.504 -1.392 -7.708 320 H LEU 45 H LEU 45 -4.084 1.079 -6.508 321 HA LEU 45 HA LEU 45 -1.422 0.720 -7.099 322 HB2 LEU 45 1HB LEU 45 -3.023 2.986 -6.043 323 HB3 LEU 45 2HB LEU 45 -1.268 3.130 -5.992 324 HG LEU 45 HG LEU 45 -2.321 4.190 -7.978 325 HD11 LEU 45 1HD1 LEU 45 -0.214 3.875 -8.639 326 HD12 LEU 45 2HD1 LEU 45 -0.841 2.512 -9.566 327 HD13 LEU 45 3HD1 LEU 45 -0.150 2.247 -7.965 328 HD21 LEU 45 3HD2 LEU 45 -4.053 2.289 -8.146 329 HD22 LEU 45 1HD2 LEU 45 -2.797 1.427 -9.036 330 HD23 LEU 45 2HD2 LEU 45 -3.403 2.971 -9.637 331 H VAL 46 H VAL 46 -2.717 1.704 -3.921 332 HA VAL 46 HA VAL 46 -0.461 1.776 -2.418 333 HB VAL 46 HB VAL 46 -3.078 0.527 -1.570 334 HG11 VAL 46 1HG1 VAL 46 -1.298 1.893 0.362 335 HG12 VAL 46 2HG1 VAL 46 -2.376 0.515 0.589 336 HG13 VAL 46 3HG1 VAL 46 -0.808 0.292 -0.189 337 HG21 VAL 46 3HG2 VAL 46 -3.131 2.882 -2.491 338 HG22 VAL 46 1HG2 VAL 46 -3.750 2.679 -0.852 339 HG23 VAL 46 2HG2 VAL 46 -2.139 3.349 -1.110 340 H ALA 47 H ALA 47 -2.147 -1.113 -3.519 341 HA ALA 47 HA ALA 47 -0.667 -2.978 -1.988 342 HB1 ALA 47 3HB ALA 47 -2.868 -3.401 -3.122 343 HB2 ALA 47 1HB ALA 47 -1.982 -3.510 -4.644 344 HB3 ALA 47 2HB ALA 47 -1.654 -4.660 -3.347 345 H GLU 48 H GLU 48 -0.383 -2.005 -5.408 346 HA GLU 48 HA GLU 48 1.775 -3.538 -6.144 347 HB2 GLU 48 1HB GLU 48 1.157 -0.697 -6.971 348 HB3 GLU 48 2HB GLU 48 2.291 -1.756 -7.798 349 HG2 GLU 48 1HG GLU 48 -0.687 -2.057 -7.571 350 HG3 GLU 48 2HG GLU 48 0.275 -1.805 -9.027 351 H VAL 49 H VAL 49 1.814 -0.374 -4.544 352 HA VAL 49 HA VAL 49 4.502 0.184 -4.542 353 HB VAL 49 HB VAL 49 2.526 0.651 -2.307 354 HG11 VAL 49 1HG1 VAL 49 4.431 1.069 -1.151 355 HG12 VAL 49 2HG1 VAL 49 5.382 1.364 -2.608 356 HG13 VAL 49 3HG1 VAL 49 4.307 2.617 -1.986 357 HG21 VAL 49 3HG2 VAL 49 3.050 3.056 -3.511 358 HG22 VAL 49 1HG2 VAL 49 3.053 1.937 -4.874 359 HG23 VAL 49 2HG2 VAL 49 1.641 2.042 -3.822 360 H ILE 50 H ILE 50 2.744 -1.725 -2.102 361 HA ILE 50 HA ILE 50 4.875 -2.363 -0.452 362 HB ILE 50 HB ILE 50 2.526 -4.137 -1.129 363 HG12 ILE 50 1HG1 ILE 50 2.757 -2.348 1.276 364 HG13 ILE 50 2HG1 ILE 50 2.139 -1.726 -0.250 365 HG21 ILE 50 1HG2 ILE 50 3.265 -5.599 0.376 366 HG22 ILE 50 2HG2 ILE 50 4.794 -4.722 0.366 367 HG23 ILE 50 3HG2 ILE 50 3.560 -4.328 1.562 368 HD11 ILE 50 3HD1 ILE 50 0.959 -4.202 0.913 369 HD12 ILE 50 1HD1 ILE 50 0.508 -2.624 1.559 370 HD13 ILE 50 2HD1 ILE 50 0.228 -2.993 -0.143 371 H LYS 51 H LYS 51 3.777 -3.972 -3.404 372 HA LYS 51 HA LYS 51 5.129 -6.283 -3.503 373 HB2 LYS 51 1HB LYS 51 3.842 -4.963 -5.367 374 HB3 LYS 51 2HB LYS 51 5.453 -4.450 -5.850 375 HG2 LYS 51 1HG LYS 51 4.764 -7.346 -5.489 376 HG3 LYS 51 2HG LYS 51 4.463 -6.493 -7.005 377 HD2 LYS 51 1HD LYS 51 6.822 -5.935 -7.184 378 HD3 LYS 51 2HD LYS 51 7.142 -6.710 -5.630 379 HE2 LYS 51 1HE LYS 51 7.778 -8.237 -7.350 380 HE3 LYS 51 2HE LYS 51 6.296 -8.845 -6.614 381 HZ1 LYS 51 3HZ LYS 51 6.286 -7.208 -9.081 382 HZ2 LYS 51 1HZ LYS 51 5.033 -8.155 -8.453 383 HZ3 LYS 51 2HZ LYS 51 6.402 -8.896 -9.114 384 H PHE 52 H PHE 52 6.632 -3.181 -4.424 385 HA PHE 52 HA PHE 52 9.173 -3.959 -4.971 386 HB2 PHE 52 1HB PHE 52 8.563 -1.646 -5.157 387 HB3 PHE 52 2HB PHE 52 8.259 -1.529 -3.427 388 HD1 PHE 52 1HD PHE 52 10.937 -2.070 -5.931 389 HD2 PHE 52 2HD PHE 52 9.960 -0.911 -1.954 390 HE1 PHE 52 1HE PHE 52 13.258 -1.333 -5.580 391 HE2 PHE 52 2HE PHE 52 12.279 -0.171 -1.596 392 HZ PHE 52 HZ PHE 52 13.931 -0.381 -3.411 393 H TYR 53 H TYR 53 7.828 -3.412 -1.736 394 HA TYR 53 HA TYR 53 10.269 -4.087 -0.396 395 HB2 TYR 53 1HB TYR 53 7.436 -3.660 0.540 396 HB3 TYR 53 2HB TYR 53 8.715 -4.161 1.640 397 HD1 TYR 53 2HD TYR 53 7.876 -1.500 -0.833 398 HD2 TYR 53 1HD TYR 53 10.033 -2.553 2.680 399 HE1 TYR 53 2HE TYR 53 8.539 0.851 -0.542 400 HE2 TYR 53 1HE TYR 53 10.701 -0.205 2.981 401 HH TYR 53 HH TYR 53 10.511 2.076 0.626 402 H PHE 54 H PHE 54 7.174 -5.741 -0.942 403 HA PHE 54 HA PHE 54 8.534 -8.304 -0.699 404 HB2 PHE 54 1HB PHE 54 6.057 -7.700 0.927 405 HB3 PHE 54 2HB PHE 54 6.969 -9.206 0.911 406 HD1 PHE 54 1HD PHE 54 9.227 -9.291 1.916 407 HD2 PHE 54 2HD PHE 54 6.727 -5.863 2.262 408 HE1 PHE 54 1HE PHE 54 10.610 -8.474 3.780 409 HE2 PHE 54 2HE PHE 54 8.106 -5.041 4.126 410 HZ PHE 54 HZ PHE 54 10.051 -6.347 4.887 411 HA PRO 55 HA PRO 55 5.849 -8.847 -4.213 412 HB2 PRO 55 1HB PRO 55 6.707 -11.349 -4.827 413 HB3 PRO 55 2HB PRO 55 7.631 -9.894 -5.217 414 HG2 PRO 55 1HG PRO 55 7.969 -11.798 -2.931 415 HG3 PRO 55 2HG PRO 55 9.207 -11.051 -3.957 416 HD2 PRO 55 1HD PRO 55 8.620 -10.131 -1.479 417 HD3 PRO 55 2HD PRO 55 9.152 -9.063 -2.793 418 H LYS 56 H LYS 56 6.244 -11.309 -1.688 419 HA LYS 56 HA LYS 56 3.912 -12.777 -2.304 420 HB2 LYS 56 1HB LYS 56 4.170 -13.735 -0.042 421 HB3 LYS 56 2HB LYS 56 5.679 -13.740 -0.947 422 HG2 LYS 56 1HG LYS 56 6.195 -11.548 0.273 423 HG3 LYS 56 2HG LYS 56 4.880 -12.003 1.359 424 HD2 LYS 56 1HD LYS 56 7.187 -13.833 0.736 425 HD3 LYS 56 2HD LYS 56 7.213 -12.683 2.075 426 HE2 LYS 56 1HE LYS 56 5.125 -13.739 2.930 427 HE3 LYS 56 2HE LYS 56 5.273 -14.955 1.662 428 HZ1 LYS 56 3HZ LYS 56 6.214 -15.448 3.994 429 HZ2 LYS 56 1HZ LYS 56 7.512 -14.474 3.514 430 HZ3 LYS 56 2HZ LYS 56 7.133 -15.870 2.638 431 H MET 57 H MET 57 4.517 -10.392 0.280 432 HA MET 57 HA MET 57 2.156 -10.216 1.533 433 HB2 MET 57 1HB MET 57 3.961 -8.003 0.594 434 HB3 MET 57 2HB MET 57 2.523 -7.662 1.546 435 HG2 MET 57 1HG MET 57 3.400 -9.202 3.294 436 HG3 MET 57 2HG MET 57 4.887 -9.331 2.358 437 HE1 MET 57 3HE MET 57 2.334 -6.955 3.745 438 HE2 MET 57 1HE MET 57 3.216 -7.101 5.265 439 HE3 MET 57 2HE MET 57 3.237 -5.577 4.377 440 H VAL 58 H VAL 58 2.829 -8.455 -1.495 441 HA VAL 58 HA VAL 58 0.192 -7.507 -1.839 442 HB VAL 58 HB VAL 58 2.391 -7.918 -3.868 443 HG11 VAL 58 1HG1 VAL 58 1.133 -6.493 -5.359 444 HG12 VAL 58 2HG1 VAL 58 0.149 -7.887 -4.908 445 HG13 VAL 58 3HG1 VAL 58 -0.148 -6.317 -4.160 446 HG21 VAL 58 3HG2 VAL 58 1.472 -5.521 -2.290 447 HG22 VAL 58 1HG2 VAL 58 3.041 -6.323 -2.216 448 HG23 VAL 58 2HG2 VAL 58 2.575 -5.428 -3.663 449 H GLU 59 H GLU 59 -1.551 -8.708 -2.176 450 HA GLU 59 HA GLU 59 -1.295 -11.116 -3.856 451 HB2 GLU 59 1HB GLU 59 -1.870 -11.397 -1.362 452 HB3 GLU 59 2HB GLU 59 -3.441 -10.729 -1.784 453 HG2 GLU 59 1HG GLU 59 -3.811 -12.999 -1.897 454 HG3 GLU 59 2HG GLU 59 -3.492 -12.580 -3.579 455 H MET 60 H MET 60 -1.918 -10.367 -5.818 456 HA MET 60 HA MET 60 -4.276 -8.679 -6.052 457 HB2 MET 60 1HB MET 60 -2.419 -9.748 -8.186 458 HB3 MET 60 2HB MET 60 -3.694 -8.563 -8.436 459 HG2 MET 60 1HG MET 60 -1.163 -8.237 -6.853 460 HG3 MET 60 2HG MET 60 -1.638 -7.394 -8.325 461 HE1 MET 60 3HE MET 60 -3.955 -4.758 -7.465 462 HE2 MET 60 1HE MET 60 -3.605 -6.075 -8.585 463 HE3 MET 60 2HE MET 60 -4.895 -6.250 -7.395 464 H HIS 61 H HIS 61 -5.166 -10.935 -5.021 465 HA HIS 61 HA HIS 61 -6.239 -12.497 -7.277 466 HB2 HIS 61 1HB HIS 61 -4.925 -13.852 -5.725 467 HB3 HIS 61 2HB HIS 61 -5.911 -13.294 -4.376 468 HD1 HIS 61 1HD HIS 61 -5.957 -15.620 -7.301 469 HD2 HIS 61 2HD HIS 61 -8.414 -14.522 -4.136 470 HE1 HIS 61 1HE HIS 61 -7.795 -17.336 -7.250 471 HE2 HIS 61 2HE HIS 61 -9.316 -16.602 -5.381 472 H ASN 62 H ASN 62 -7.043 -10.879 -4.247 473 HA ASN 62 HA ASN 62 -9.898 -11.229 -4.809 474 HB2 ASN 62 1HB ASN 62 -10.206 -10.333 -2.490 475 HB3 ASN 62 2HB ASN 62 -9.281 -11.831 -2.561 476 HD21 ASN 62 1HD2 ASN 62 -7.077 -11.793 -2.126 477 HD22 ASN 62 2HD2 ASN 62 -6.324 -10.458 -1.329 478 H TYR 63 H TYR 63 -7.378 -8.850 -4.703 479 HA TYR 63 HA TYR 63 -9.144 -6.580 -4.703 480 HB2 TYR 63 1HB TYR 63 -6.220 -6.638 -5.458 481 HB3 TYR 63 2HB TYR 63 -7.160 -5.246 -4.931 482 HD1 TYR 63 2HD TYR 63 -8.460 -5.907 -2.550 483 HD2 TYR 63 1HD TYR 63 -4.676 -7.313 -3.894 484 HE1 TYR 63 2HE TYR 63 -7.799 -6.338 -0.220 485 HE2 TYR 63 1HE TYR 63 -4.004 -7.748 -1.569 486 HH TYR 63 HH TYR 63 -4.675 -6.841 0.742 487 H VAL 64 H VAL 64 -9.605 -5.205 -6.422 488 HA VAL 64 HA VAL 64 -8.671 -5.811 -9.085 489 HB VAL 64 HB VAL 64 -11.597 -6.158 -8.417 490 HG11 VAL 64 1HG1 VAL 64 -10.977 -5.002 -10.614 491 HG12 VAL 64 2HG1 VAL 64 -10.332 -6.569 -11.108 492 HG13 VAL 64 3HG1 VAL 64 -12.041 -6.406 -10.701 493 HG21 VAL 64 3HG2 VAL 64 -11.197 -8.460 -9.331 494 HG22 VAL 64 1HG2 VAL 64 -9.470 -8.105 -9.288 495 HG23 VAL 64 2HG2 VAL 64 -10.405 -8.125 -7.792 496 HA PRO 65 HA PRO 65 -9.280 -1.450 -9.371 497 HB2 PRO 65 1HB PRO 65 -9.016 -1.199 -12.062 498 HB3 PRO 65 2HB PRO 65 -7.644 -1.489 -10.984 499 HG2 PRO 65 1HG PRO 65 -9.171 -3.433 -12.673 500 HG3 PRO 65 2HG PRO 65 -7.421 -3.302 -12.423 501 HD2 PRO 65 1HD PRO 65 -8.943 -5.134 -11.135 502 HD3 PRO 65 2HD PRO 65 -7.499 -4.407 -10.401 503 H ALA 66 H ALA 66 -11.232 -0.577 -9.086 504 HA ALA 66 HA ALA 66 -13.279 -1.026 -11.154 505 HB1 ALA 66 3HB ALA 66 -14.308 -0.516 -8.455 506 HB2 ALA 66 1HB ALA 66 -14.853 -1.658 -9.684 507 HB3 ALA 66 2HB ALA 66 -13.481 -2.061 -8.651 508 H ASN 67 H ASN 67 -15.176 0.668 -10.622 509 HA ASN 67 HA ASN 67 -13.863 3.290 -10.323 510 HB2 ASN 67 1HB ASN 67 -16.210 2.585 -12.099 511 HB3 ASN 67 2HB ASN 67 -15.487 4.182 -11.936 512 HD21 ASN 67 1HD2 ASN 67 -14.891 0.884 -12.985 513 HD22 ASN 67 2HD2 ASN 67 -13.647 1.273 -14.119 514 H SER 68 H SER 68 -16.896 1.502 -9.914 515 HA SER 68 HA SER 68 -18.379 3.468 -8.619 516 HB2 SER 68 1HB SER 68 -19.199 1.214 -9.445 517 HB3 SER 68 2HB SER 68 -18.523 0.519 -7.971 518 HG SER 68 HG SER 68 -19.884 2.020 -6.811 519 H LEU 69 H LEU 69 -18.293 4.373 -6.666 520 HA LEU 69 HA LEU 69 -16.149 4.115 -4.943 521 HB2 LEU 69 1HB LEU 69 -17.858 5.965 -5.037 522 HB3 LEU 69 2HB LEU 69 -18.919 4.924 -4.091 523 HG LEU 69 HG LEU 69 -16.986 4.894 -2.377 524 HD11 LEU 69 1HD1 LEU 69 -15.875 7.274 -2.545 525 HD12 LEU 69 2HD1 LEU 69 -16.138 7.025 -4.270 526 HD13 LEU 69 3HD1 LEU 69 -15.167 5.875 -3.352 527 HD21 LEU 69 3HD2 LEU 69 -17.877 6.838 -1.286 528 HD22 LEU 69 1HD2 LEU 69 -19.193 6.002 -2.109 529 HD23 LEU 69 2HD2 LEU 69 -18.501 7.464 -2.812 530 H GLN 70 H GLN 70 -19.335 2.568 -4.745 531 HA GLN 70 HA GLN 70 -19.317 1.347 -2.344 532 HB2 GLN 70 1HB GLN 70 -21.068 1.061 -4.081 533 HB3 GLN 70 2HB GLN 70 -20.012 -0.063 -4.926 534 HG2 GLN 70 1HG GLN 70 -21.663 -1.265 -3.644 535 HG3 GLN 70 2HG GLN 70 -20.053 -1.553 -2.986 536 HE21 GLN 70 1HE2 GLN 70 -22.806 0.647 -2.586 537 HE22 GLN 70 2HE2 GLN 70 -22.718 0.720 -0.862 538 H GLN 71 H GLN 71 -17.647 0.085 -5.223 539 HA GLN 71 HA GLN 71 -16.528 -2.168 -3.970 540 HB2 GLN 71 1HB GLN 71 -16.703 -1.667 -6.468 541 HB3 GLN 71 2HB GLN 71 -15.260 -0.682 -6.264 542 HG2 GLN 71 1HG GLN 71 -14.594 -2.820 -7.064 543 HG3 GLN 71 2HG GLN 71 -14.089 -2.684 -5.381 544 HE21 GLN 71 1HE2 GLN 71 -14.120 -4.721 -4.686 545 HE22 GLN 71 2HE2 GLN 71 -15.487 -5.775 -4.752 546 H LYS 72 H LYS 72 -15.194 1.071 -4.562 547 HA LYS 72 HA LYS 72 -12.644 0.910 -3.756 548 HB2 LYS 72 1HB LYS 72 -14.581 3.006 -2.756 549 HB3 LYS 72 2HB LYS 72 -12.831 3.169 -2.820 550 HG2 LYS 72 1HG LYS 72 -14.568 2.733 -5.238 551 HG3 LYS 72 2HG LYS 72 -14.047 4.318 -4.661 552 HD2 LYS 72 1HD LYS 72 -11.852 3.961 -5.254 553 HD3 LYS 72 2HD LYS 72 -11.995 2.205 -5.134 554 HE2 LYS 72 1HE LYS 72 -13.391 3.817 -7.257 555 HE3 LYS 72 2HE LYS 72 -11.767 3.165 -7.469 556 HZ1 LYS 72 3HZ LYS 72 -13.881 1.832 -8.218 557 HZ2 LYS 72 1HZ LYS 72 -13.882 1.337 -6.600 558 HZ3 LYS 72 2HZ LYS 72 -12.532 1.039 -7.575 559 H LEU 73 H LEU 73 -15.236 1.538 -1.381 560 HA LEU 73 HA LEU 73 -13.706 1.185 0.905 561 HB2 LEU 73 1HB LEU 73 -16.607 0.974 0.283 562 HB3 LEU 73 2HB LEU 73 -16.044 0.392 1.848 563 HG LEU 73 HG LEU 73 -15.680 3.197 0.796 564 HD11 LEU 73 1HD1 LEU 73 -17.250 3.322 3.038 565 HD12 LEU 73 2HD1 LEU 73 -17.860 1.885 2.219 566 HD13 LEU 73 3HD1 LEU 73 -17.823 3.432 1.373 567 HD21 LEU 73 3HD2 LEU 73 -13.980 3.100 2.286 568 HD22 LEU 73 1HD2 LEU 73 -14.677 1.737 3.161 569 HD23 LEU 73 2HD2 LEU 73 -15.286 3.368 3.441 570 H SER 74 H SER 74 -15.628 -1.211 -0.878 571 HA SER 74 HA SER 74 -15.332 -3.402 0.755 572 HB2 SER 74 1HB SER 74 -16.710 -3.396 -1.288 573 HB3 SER 74 2HB SER 74 -15.247 -3.389 -2.273 574 HG SER 74 HG SER 74 -14.710 -5.411 -1.280 575 H ASN 75 H ASN 75 -13.211 -2.634 -2.012 576 HA ASN 75 HA ASN 75 -11.303 -4.571 -1.657 577 HB2 ASN 75 1HB ASN 75 -11.037 -1.732 -2.642 578 HB3 ASN 75 2HB ASN 75 -9.693 -2.871 -2.677 579 HD21 ASN 75 1HD2 ASN 75 -10.326 -1.906 -5.013 580 HD22 ASN 75 2HD2 ASN 75 -11.217 -3.033 -5.973 581 H TRP 76 H TRP 76 -10.862 -1.216 -0.525 582 HA TRP 76 HA TRP 76 -8.643 -1.453 0.985 583 HB2 TRP 76 1HB TRP 76 -11.112 0.181 1.294 584 HB3 TRP 76 2HB TRP 76 -9.981 0.158 2.644 585 HD1 TRP 76 HD TRP 76 -10.495 1.643 -0.773 586 HE1 TRP 76 1HE TRP 76 -8.531 3.208 -1.338 587 HE3 TRP 76 3HE TRP 76 -7.342 0.403 3.055 588 HZ2 TRP 76 2HZ TRP 76 -5.983 3.834 -0.298 589 HZ3 TRP 76 3HZ TRP 76 -5.160 1.531 3.198 590 HH2 TRP 76 HH TRP 76 -4.496 3.210 1.555 591 H GLY 77 H GLY 77 -11.925 -2.072 2.250 592 HA2 GLY 77 1HA GLY 77 -11.467 -2.802 4.801 593 HA3 GLY 77 2HA GLY 77 -12.603 -3.675 3.782 594 H HIS 78 H HIS 78 -11.316 -5.209 2.169 595 HA HIS 78 HA HIS 78 -10.308 -7.305 3.677 596 HB2 HIS 78 1HB HIS 78 -9.954 -6.643 0.753 597 HB3 HIS 78 2HB HIS 78 -9.393 -8.151 1.468 598 HD1 HIS 78 1HD HIS 78 -10.974 -9.860 0.610 599 HD2 HIS 78 2HD HIS 78 -12.938 -6.457 1.960 600 HE1 HIS 78 1HE HIS 78 -13.426 -10.397 0.465 601 HE2 HIS 78 2HE HIS 78 -14.596 -8.293 1.205 602 H LEU 79 H LEU 79 -8.616 -4.646 2.115 603 HA LEU 79 HA LEU 79 -5.995 -5.612 2.390 604 HB2 LEU 79 1HB LEU 79 -6.945 -3.555 1.111 605 HB3 LEU 79 2HB LEU 79 -6.647 -2.703 2.625 606 HG LEU 79 HG LEU 79 -4.234 -3.748 2.320 607 HD11 LEU 79 1HD1 LEU 79 -3.576 -4.266 0.204 608 HD12 LEU 79 2HD1 LEU 79 -4.805 -3.250 -0.549 609 HD13 LEU 79 3HD1 LEU 79 -5.249 -4.819 0.124 610 HD21 LEU 79 3HD2 LEU 79 -5.402 -1.259 1.969 611 HD22 LEU 79 1HD2 LEU 79 -4.460 -1.509 0.499 612 HD23 LEU 79 2HD2 LEU 79 -3.676 -1.607 2.076 613 H ASN 80 H ASN 80 -8.213 -4.392 4.704 614 HA ASN 80 HA ASN 80 -6.235 -3.596 6.639 615 HB2 ASN 80 1HB ASN 80 -8.504 -2.572 6.531 616 HB3 ASN 80 2HB ASN 80 -9.189 -4.112 7.042 617 HD21 ASN 80 1HD2 ASN 80 -9.709 -1.911 8.502 618 HD22 ASN 80 2HD2 ASN 80 -8.865 -1.969 10.008 619 H ARG 81 H ARG 81 -8.009 -6.482 5.846 620 HA ARG 81 HA ARG 81 -6.905 -7.819 8.225 621 HB2 ARG 81 1HB ARG 81 -9.277 -8.521 6.491 622 HB3 ARG 81 2HB ARG 81 -8.633 -9.581 7.738 623 HG2 ARG 81 1HG ARG 81 -8.967 -7.417 9.228 624 HG3 ARG 81 2HG ARG 81 -10.178 -7.067 7.993 625 HD2 ARG 81 1HD ARG 81 -10.835 -9.591 8.446 626 HD3 ARG 81 2HD ARG 81 -10.083 -9.253 10.005 627 HE ARG 81 HE ARG 81 -11.915 -8.013 10.556 628 HH11 ARG 81 1HH1 ARG 81 -11.795 -8.340 7.093 629 HH12 ARG 81 2HH1 ARG 81 -13.325 -7.568 6.836 630 HH21 ARG 81 1HH2 ARG 81 -13.930 -6.995 10.232 631 HH22 ARG 81 2HH2 ARG 81 -14.538 -6.802 8.622 632 H LYS 82 H LYS 82 -6.171 -7.327 5.108 633 HA LYS 82 HA LYS 82 -5.148 -10.057 4.691 634 HB2 LYS 82 1HB LYS 82 -5.913 -7.883 2.754 635 HB3 LYS 82 2HB LYS 82 -4.887 -9.227 2.270 636 HG2 LYS 82 1HG LYS 82 -7.423 -9.904 3.631 637 HG3 LYS 82 2HG LYS 82 -7.534 -9.251 1.995 638 HD2 LYS 82 1HD LYS 82 -7.310 -11.451 1.466 639 HD3 LYS 82 2HD LYS 82 -5.598 -11.038 1.588 640 HE2 LYS 82 1HE LYS 82 -6.060 -13.096 2.790 641 HE3 LYS 82 2HE LYS 82 -5.588 -11.822 3.913 642 HZ1 LYS 82 3HZ LYS 82 -7.417 -12.408 5.019 643 HZ2 LYS 82 1HZ LYS 82 -8.070 -13.258 3.710 644 HZ3 LYS 82 2HZ LYS 82 -8.279 -11.583 3.819 645 H VAL 83 H VAL 83 -4.324 -6.640 4.697 646 HA VAL 83 HA VAL 83 -1.478 -7.366 4.456 647 HB VAL 83 HB VAL 83 -2.834 -4.734 3.857 648 HG11 VAL 83 1HG1 VAL 83 -0.376 -4.399 2.880 649 HG12 VAL 83 2HG1 VAL 83 -0.813 -3.946 4.529 650 HG13 VAL 83 3HG1 VAL 83 0.010 -5.476 4.222 651 HG21 VAL 83 3HG2 VAL 83 -1.303 -5.841 1.705 652 HG22 VAL 83 1HG2 VAL 83 -2.461 -7.038 2.285 653 HG23 VAL 83 2HG2 VAL 83 -3.022 -5.450 1.761 654 H LEU 84 H LEU 84 -3.223 -4.569 5.803 655 HA LEU 84 HA LEU 84 -1.557 -3.709 7.699 656 HB2 LEU 84 1HB LEU 84 -4.496 -4.182 8.175 657 HB3 LEU 84 2HB LEU 84 -3.470 -3.067 9.075 658 HG LEU 84 HG LEU 84 -4.375 -2.836 6.212 659 HD11 LEU 84 1HD1 LEU 84 -4.697 -0.563 7.985 660 HD12 LEU 84 2HD1 LEU 84 -5.535 -1.999 8.573 661 HD13 LEU 84 3HD1 LEU 84 -5.879 -1.376 6.959 662 HD21 LEU 84 3HD2 LEU 84 -2.084 -1.602 7.623 663 HD22 LEU 84 1HD2 LEU 84 -3.075 -0.542 6.621 664 HD23 LEU 84 2HD2 LEU 84 -2.306 -1.960 5.910 665 H LYS 85 H LYS 85 -3.920 -6.295 8.380 666 HA LYS 85 HA LYS 85 -3.362 -7.016 10.892 667 HB2 LYS 85 1HB LYS 85 -4.849 -8.208 9.177 668 HB3 LYS 85 2HB LYS 85 -3.416 -9.133 8.748 669 HG2 LYS 85 1HG LYS 85 -4.528 -10.489 10.271 670 HG3 LYS 85 2HG LYS 85 -3.273 -9.711 11.238 671 HD2 LYS 85 1HD LYS 85 -5.126 -9.466 12.592 672 HD3 LYS 85 2HD LYS 85 -5.129 -7.938 11.708 673 HE2 LYS 85 1HE LYS 85 -6.766 -8.865 10.134 674 HE3 LYS 85 2HE LYS 85 -6.769 -10.380 11.036 675 HZ1 LYS 85 3HZ LYS 85 -7.874 -7.765 11.803 676 HZ2 LYS 85 1HZ LYS 85 -7.393 -8.850 13.008 677 HZ3 LYS 85 2HZ LYS 85 -8.586 -9.296 11.896 678 H ARG 86 H ARG 86 -1.481 -8.301 8.143 679 HA ARG 86 HA ARG 86 0.443 -9.668 9.576 680 HB2 ARG 86 1HB ARG 86 0.900 -8.144 7.006 681 HB3 ARG 86 2HB ARG 86 1.860 -9.489 7.608 682 HG2 ARG 86 1HG ARG 86 -1.065 -9.793 7.035 683 HG3 ARG 86 2HG ARG 86 0.151 -9.956 5.767 684 HD2 ARG 86 1HD ARG 86 1.260 -11.575 7.536 685 HD3 ARG 86 2HD ARG 86 -0.400 -11.695 8.117 686 HE ARG 86 HE ARG 86 -0.307 -12.072 5.316 687 HH11 ARG 86 1HH1 ARG 86 0.449 -13.661 8.320 688 HH12 ARG 86 2HH1 ARG 86 0.243 -15.257 7.678 689 HH21 ARG 86 1HH2 ARG 86 -0.581 -14.168 4.459 690 HH22 ARG 86 2HH2 ARG 86 -0.342 -15.544 5.482 691 H LEU 87 H LEU 87 0.434 -6.259 8.598 692 HA LEU 87 HA LEU 87 2.938 -5.766 9.973 693 HB2 LEU 87 1HB LEU 87 1.046 -3.958 8.484 694 HB3 LEU 87 2HB LEU 87 2.537 -3.406 9.245 695 HG LEU 87 HG LEU 87 2.689 -5.603 7.237 696 HD11 LEU 87 1HD1 LEU 87 2.941 -3.836 5.470 697 HD12 LEU 87 2HD1 LEU 87 2.222 -2.698 6.608 698 HD13 LEU 87 3HD1 LEU 87 1.296 -4.092 6.052 699 HD21 LEU 87 3HD2 LEU 87 4.496 -3.237 7.635 700 HD22 LEU 87 1HD2 LEU 87 4.862 -4.793 6.889 701 HD23 LEU 87 2HD2 LEU 87 4.617 -4.688 8.632 702 H ASN 88 H ASN 88 0.669 -6.668 11.545 703 HA ASN 88 HA ASN 88 -0.656 -6.068 13.338 704 HB2 ASN 88 1HB ASN 88 1.864 -4.608 14.138 705 HB3 ASN 88 2HB ASN 88 0.678 -5.364 15.198 706 HD21 ASN 88 1HD2 ASN 88 0.394 -7.744 14.863 707 HD22 ASN 88 2HD2 ASN 88 1.823 -8.673 14.579 708 H PHE 89 H PHE 89 -1.107 -4.296 11.194 709 HA PHE 89 HA PHE 89 -1.376 -1.697 12.547 710 HB2 PHE 89 1HB PHE 89 -0.164 -2.000 10.244 711 HB3 PHE 89 2HB PHE 89 -1.803 -2.062 9.603 712 HD1 PHE 89 2HD PHE 89 -3.362 -0.112 10.180 713 HD2 PHE 89 1HD PHE 89 0.868 0.038 10.637 714 HE1 PHE 89 2HE PHE 89 -3.451 2.346 10.170 715 HE2 PHE 89 1HE PHE 89 0.785 2.497 10.628 716 HZ PHE 89 HZ PHE 89 -1.377 3.654 10.393 717 H SER 90 H SER 90 -3.356 -0.619 12.544 718 HA SER 90 HA SER 90 -5.687 -2.106 11.568 719 HB2 SER 90 1HB SER 90 -6.883 -1.712 13.682 720 HB3 SER 90 2HB SER 90 -5.436 -2.685 13.943 721 HG SER 90 HG SER 90 -4.657 -1.161 15.158 722 H VAL 91 H VAL 91 -7.475 -0.843 11.040 723 HA VAL 91 HA VAL 91 -7.340 2.037 11.434 724 HB VAL 91 HB VAL 91 -7.172 0.728 8.737 725 HG11 VAL 91 1HG1 VAL 91 -8.819 2.085 8.042 726 HG12 VAL 91 2HG1 VAL 91 -8.724 3.101 9.482 727 HG13 VAL 91 3HG1 VAL 91 -7.597 3.352 8.148 728 HG21 VAL 91 3HG2 VAL 91 -5.056 1.389 9.298 729 HG22 VAL 91 1HG2 VAL 91 -5.639 2.870 8.538 730 HG23 VAL 91 2HG2 VAL 91 -5.619 2.730 10.296 731 HA PRO 92 HA PRO 92 -11.676 1.272 11.913 732 HB2 PRO 92 1HB PRO 92 -12.448 3.866 12.126 733 HB3 PRO 92 2HB PRO 92 -11.645 2.992 13.436 734 HG2 PRO 92 1HG PRO 92 -10.487 4.906 11.446 735 HG3 PRO 92 2HG PRO 92 -10.185 4.785 13.189 736 HD2 PRO 92 1HD PRO 92 -8.482 3.776 11.342 737 HD3 PRO 92 2HD PRO 92 -8.708 3.034 12.939 738 H ASP 93 H ASP 93 -13.759 2.216 10.949 739 HA ASP 93 HA ASP 93 -13.554 2.053 8.097 740 HB2 ASP 93 1HB ASP 93 -15.790 2.284 10.067 741 HB3 ASP 93 2HB ASP 93 -16.112 2.653 8.375 742 H ASP 94 H ASP 94 -14.490 4.598 10.389 743 HA ASP 94 HA ASP 94 -15.256 6.612 8.725 744 HB2 ASP 94 1HB ASP 94 -15.343 7.080 11.025 745 HB3 ASP 94 2HB ASP 94 -13.647 6.668 11.265 746 H VAL 95 H VAL 95 -11.894 5.877 9.641 747 HA VAL 95 HA VAL 95 -10.671 7.865 8.097 748 HB VAL 95 HB VAL 95 -9.590 5.163 8.907 749 HG11 VAL 95 1HG1 VAL 95 -7.628 7.250 8.549 750 HG12 VAL 95 2HG1 VAL 95 -7.680 5.625 7.862 751 HG13 VAL 95 3HG1 VAL 95 -8.522 6.952 7.059 752 HG21 VAL 95 3HG2 VAL 95 -8.990 7.817 10.178 753 HG22 VAL 95 1HG2 VAL 95 -10.352 6.823 10.694 754 HG23 VAL 95 2HG2 VAL 95 -8.708 6.198 10.818 755 H MET 96 H MET 96 -11.507 4.513 7.308 756 HA MET 96 HA MET 96 -10.315 4.424 4.770 757 HB2 MET 96 1HB MET 96 -12.664 2.929 5.931 758 HB3 MET 96 2HB MET 96 -12.005 2.585 4.337 759 HG2 MET 96 1HG MET 96 -9.753 2.402 5.705 760 HG3 MET 96 2HG MET 96 -10.869 2.047 7.021 761 HE1 MET 96 3HE MET 96 -12.443 -0.650 6.870 762 HE2 MET 96 1HE MET 96 -10.875 -1.455 6.936 763 HE3 MET 96 2HE MET 96 -11.098 0.106 7.726 764 H ARG 97 H ARG 97 -13.608 5.304 5.762 765 HA ARG 97 HA ARG 97 -14.810 5.637 3.316 766 HB2 ARG 97 1HB ARG 97 -15.116 7.269 5.838 767 HB3 ARG 97 2HB ARG 97 -16.171 7.444 4.442 768 HG2 ARG 97 1HG ARG 97 -16.889 5.138 4.662 769 HG3 ARG 97 2HG ARG 97 -15.785 4.909 6.020 770 HD2 ARG 97 1HD ARG 97 -17.008 6.453 7.367 771 HD3 ARG 97 2HD ARG 97 -17.989 6.960 5.993 772 HE ARG 97 HE ARG 97 -18.467 4.284 6.218 773 HH11 ARG 97 1HH1 ARG 97 -18.707 7.013 8.366 774 HH12 ARG 97 2HH1 ARG 97 -20.014 6.342 9.284 775 HH21 ARG 97 1HH2 ARG 97 -20.188 3.390 7.419 776 HH22 ARG 97 2HH2 ARG 97 -20.855 4.280 8.745 777 H LYS 98 H LYS 98 -12.874 8.036 5.088 778 HA LYS 98 HA LYS 98 -13.094 10.138 3.273 779 HB2 LYS 98 1HB LYS 98 -10.774 9.419 5.073 780 HB3 LYS 98 2HB LYS 98 -10.975 10.968 4.265 781 HG2 LYS 98 1HG LYS 98 -12.651 11.639 5.661 782 HG3 LYS 98 2HG LYS 98 -13.181 9.989 5.998 783 HD2 LYS 98 1HD LYS 98 -12.186 10.510 7.995 784 HD3 LYS 98 2HD LYS 98 -10.809 9.820 7.134 785 HE2 LYS 98 1HE LYS 98 -10.026 12.030 6.542 786 HE3 LYS 98 2HE LYS 98 -11.454 12.763 7.271 787 HZ1 LYS 98 3HZ LYS 98 -9.088 12.373 8.519 788 HZ2 LYS 98 1HZ LYS 98 -9.996 11.053 9.065 789 HZ3 LYS 98 2HZ LYS 98 -10.568 12.628 9.298 790 H ILE 99 H ILE 99 -10.446 7.761 3.544 791 HA ILE 99 HA ILE 99 -8.902 8.518 1.417 792 HB ILE 99 HB ILE 99 -9.521 5.675 2.229 793 HG12 ILE 99 1HG1 ILE 99 -7.078 7.214 3.036 794 HG13 ILE 99 2HG1 ILE 99 -8.579 7.431 3.929 795 HG21 ILE 99 1HG2 ILE 99 -8.427 6.045 -0.029 796 HG22 ILE 99 2HG2 ILE 99 -7.038 6.670 0.860 797 HG23 ILE 99 3HG2 ILE 99 -7.564 5.004 1.102 798 HD11 ILE 99 3HD1 ILE 99 -6.653 5.296 4.053 799 HD12 ILE 99 1HD1 ILE 99 -7.979 5.685 5.148 800 HD13 ILE 99 2HD1 ILE 99 -8.274 4.681 3.729 801 H ALA 100 H ALA 100 -11.539 6.118 1.273 802 HA ALA 100 HA ALA 100 -11.480 5.726 -1.494 803 HB1 ALA 100 3HB ALA 100 -13.584 5.330 0.596 804 HB2 ALA 100 1HB ALA 100 -13.953 5.067 -1.109 805 HB3 ALA 100 2HB ALA 100 -12.683 4.127 -0.326 806 H GLN 101 H GLN 101 -12.707 8.346 0.379 807 HA GLN 101 HA GLN 101 -14.433 9.346 -1.719 808 HB2 GLN 101 1HB GLN 101 -13.707 10.249 1.042 809 HB3 GLN 101 2HB GLN 101 -14.455 11.385 -0.073 810 HG2 GLN 101 1HG GLN 101 -15.697 8.712 0.395 811 HG3 GLN 101 2HG GLN 101 -15.926 10.016 1.559 812 HE21 GLN 101 1HE2 GLN 101 -16.373 9.084 -1.798 813 HE22 GLN 101 2HE2 GLN 101 -17.677 10.169 -2.120 814 H CYS 102 H CYS 102 -11.337 9.079 -1.808 815 HA CYS 102 HA CYS 102 -9.602 10.173 -2.790 816 HB2 CYS 102 1HB CYS 102 -11.306 10.437 -4.595 817 HB3 CYS 102 2HB CYS 102 -11.744 11.994 -3.903 818 HG CYS 102 HG CYS 102 -9.423 11.324 -6.083 819 H ALA 103 H ALA 103 -10.175 10.892 -0.147 820 HA ALA 103 HA ALA 103 -10.127 13.751 0.130 821 HB1 ALA 103 3HB ALA 103 -9.296 12.759 2.547 822 HB2 ALA 103 1HB ALA 103 -10.971 13.050 2.076 823 HB3 ALA 103 2HB ALA 103 -10.273 11.439 1.903 824 HA PRO 104 HA PRO 104 -5.739 14.033 -0.652 825 HB2 PRO 104 1HB PRO 104 -5.589 16.725 -0.332 826 HB3 PRO 104 2HB PRO 104 -6.220 15.965 -1.798 827 HG2 PRO 104 1HG PRO 104 -7.709 17.128 0.524 828 HG3 PRO 104 2HG PRO 104 -8.041 17.287 -1.211 829 HD2 PRO 104 1HD PRO 104 -9.397 15.567 0.380 830 HD3 PRO 104 2HD PRO 104 -9.069 15.228 -1.331 831 H GLY 105 H GLY 105 -4.339 13.420 0.872 832 HA2 GLY 105 1HA GLY 105 -2.889 14.095 2.675 833 HA3 GLY 105 2HA GLY 105 -4.242 14.971 3.375 834 H VAL 106 H VAL 106 -6.243 13.210 3.498 835 HA VAL 106 HA VAL 106 -5.869 11.757 5.763 836 HB VAL 106 HB VAL 106 -7.670 10.934 3.480 837 HG11 VAL 106 1HG1 VAL 106 -8.027 9.155 4.797 838 HG12 VAL 106 2HG1 VAL 106 -7.266 9.917 6.195 839 HG13 VAL 106 3HG1 VAL 106 -8.948 10.275 5.800 840 HG21 VAL 106 3HG2 VAL 106 -8.032 13.256 4.134 841 HG22 VAL 106 1HG2 VAL 106 -9.390 12.245 4.629 842 HG23 VAL 106 2HG2 VAL 106 -8.198 12.766 5.820 843 H VAL 107 H VAL 107 -5.904 10.252 2.524 844 HA VAL 107 HA VAL 107 -5.112 7.723 3.166 845 HB VAL 107 HB VAL 107 -5.692 8.383 0.885 846 HG11 VAL 107 1HG1 VAL 107 -2.940 9.561 0.612 847 HG12 VAL 107 2HG1 VAL 107 -4.293 9.657 -0.517 848 HG13 VAL 107 3HG1 VAL 107 -4.352 10.539 1.010 849 HG21 VAL 107 3HG2 VAL 107 -3.725 6.559 1.646 850 HG22 VAL 107 1HG2 VAL 107 -4.636 6.574 0.136 851 HG23 VAL 107 2HG2 VAL 107 -3.069 7.377 0.228 852 H GLU 108 H GLU 108 -3.057 10.570 2.824 853 HA GLU 108 HA GLU 108 -0.575 9.245 2.995 854 HB2 GLU 108 1HB GLU 108 -1.173 12.054 3.927 855 HB3 GLU 108 2HB GLU 108 0.381 11.411 3.418 856 HG2 GLU 108 1HG GLU 108 -1.921 11.415 1.521 857 HG3 GLU 108 2HG GLU 108 -1.003 12.893 1.803 858 H LEU 109 H LEU 109 -2.795 10.460 5.432 859 HA LEU 109 HA LEU 109 -1.187 10.399 7.683 860 HB2 LEU 109 1HB LEU 109 -4.095 9.639 7.454 861 HB3 LEU 109 2HB LEU 109 -3.257 10.010 8.959 862 HG LEU 109 HG LEU 109 -3.785 11.930 6.691 863 HD11 LEU 109 1HD1 LEU 109 -5.081 11.430 9.338 864 HD12 LEU 109 2HD1 LEU 109 -5.820 11.705 7.761 865 HD13 LEU 109 3HD1 LEU 109 -5.084 13.048 8.635 866 HD21 LEU 109 3HD2 LEU 109 -2.465 12.383 9.366 867 HD22 LEU 109 1HD2 LEU 109 -2.862 13.629 8.182 868 HD23 LEU 109 2HD2 LEU 109 -1.659 12.398 7.796 869 H VAL 110 H VAL 110 -2.278 7.797 5.747 870 HA VAL 110 HA VAL 110 -1.587 5.843 7.834 871 HB VAL 110 HB VAL 110 -3.123 5.486 5.259 872 HG11 VAL 110 1HG1 VAL 110 -2.372 3.378 5.336 873 HG12 VAL 110 2HG1 VAL 110 -1.768 3.555 6.985 874 HG13 VAL 110 3HG1 VAL 110 -3.471 3.188 6.702 875 HG21 VAL 110 3HG2 VAL 110 -4.762 6.264 6.595 876 HG22 VAL 110 1HG2 VAL 110 -4.737 4.630 7.259 877 HG23 VAL 110 2HG2 VAL 110 -3.860 5.926 8.073 878 H LEU 111 H LEU 111 -0.641 7.110 4.756 879 HA LEU 111 HA LEU 111 1.042 4.944 3.975 880 HB2 LEU 111 1HB LEU 111 0.964 7.833 3.124 881 HB3 LEU 111 2HB LEU 111 1.997 6.613 2.383 882 HG LEU 111 HG LEU 111 -1.008 6.414 2.437 883 HD11 LEU 111 1HD1 LEU 111 -0.519 7.016 -0.102 884 HD12 LEU 111 2HD1 LEU 111 0.804 7.917 0.636 885 HD13 LEU 111 3HD1 LEU 111 -0.861 8.251 1.110 886 HD21 LEU 111 3HD2 LEU 111 -0.167 4.297 2.006 887 HD22 LEU 111 1HD2 LEU 111 1.215 4.918 1.102 888 HD23 LEU 111 2HD2 LEU 111 -0.397 4.960 0.387 889 H ILE 112 H ILE 112 1.544 7.977 5.708 890 HA ILE 112 HA ILE 112 4.318 8.023 5.798 891 HB ILE 112 HB ILE 112 2.167 9.124 7.520 892 HG12 ILE 112 1HG1 ILE 112 4.665 10.437 6.452 893 HG13 ILE 112 2HG1 ILE 112 3.222 10.219 5.469 894 HG21 ILE 112 1HG2 ILE 112 4.147 10.084 8.950 895 HG22 ILE 112 2HG2 ILE 112 3.419 8.528 9.346 896 HG23 ILE 112 3HG2 ILE 112 4.942 8.588 8.459 897 HD11 ILE 112 3HD1 ILE 112 1.977 11.472 7.282 898 HD12 ILE 112 1HD1 ILE 112 3.561 11.898 7.928 899 HD13 ILE 112 2HD1 ILE 112 3.107 12.405 6.301 900 HA PRO 113 HA PRO 113 4.146 5.441 9.881 901 HB2 PRO 113 1HB PRO 113 1.782 4.261 10.506 902 HB3 PRO 113 2HB PRO 113 2.217 5.887 11.047 903 HG2 PRO 113 1HG PRO 113 0.483 5.053 8.753 904 HG3 PRO 113 2HG PRO 113 0.225 6.347 9.938 905 HD2 PRO 113 1HD PRO 113 1.158 6.824 7.441 906 HD3 PRO 113 2HD PRO 113 1.635 7.804 8.842 907 H LEU 114 H LEU 114 2.018 4.320 7.282 908 HA LEU 114 HA LEU 114 2.408 1.572 7.565 909 HB2 LEU 114 1HB LEU 114 0.693 2.468 6.130 910 HB3 LEU 114 2HB LEU 114 1.903 3.219 5.093 911 HG LEU 114 HG LEU 114 2.038 0.274 5.386 912 HD11 LEU 114 1HD1 LEU 114 -0.024 1.524 3.591 913 HD12 LEU 114 2HD1 LEU 114 -0.411 0.861 5.178 914 HD13 LEU 114 3HD1 LEU 114 0.247 -0.187 3.922 915 HD21 LEU 114 3HD2 LEU 114 2.539 2.339 3.281 916 HD22 LEU 114 1HD2 LEU 114 2.334 0.644 2.837 917 HD23 LEU 114 2HD2 LEU 114 3.631 1.117 3.935 918 H ARG 115 H ARG 115 4.090 3.806 5.347 919 HA ARG 115 HA ARG 115 5.927 2.019 4.304 920 HB2 ARG 115 1HB ARG 115 5.728 4.184 3.324 921 HB3 ARG 115 2HB ARG 115 6.145 4.979 4.836 922 HG2 ARG 115 1HG ARG 115 8.392 3.675 4.561 923 HG3 ARG 115 2HG ARG 115 7.906 3.607 2.866 924 HD2 ARG 115 1HD ARG 115 7.939 5.933 2.643 925 HD3 ARG 115 2HD ARG 115 7.888 6.190 4.387 926 HE ARG 115 HE ARG 115 10.254 4.848 3.401 927 HH11 ARG 115 1HH1 ARG 115 8.759 7.873 4.257 928 HH12 ARG 115 2HH1 ARG 115 10.264 8.698 4.498 929 HH21 ARG 115 1HH2 ARG 115 12.241 5.922 3.716 930 HH22 ARG 115 2HH2 ARG 115 12.244 7.587 4.189 931 H GLN 116 H GLN 116 6.092 3.900 7.290 932 HA GLN 116 HA GLN 116 8.719 3.445 8.020 933 HB2 GLN 116 1HB GLN 116 6.199 3.952 9.522 934 HB3 GLN 116 2HB GLN 116 7.602 3.415 10.436 935 HG2 GLN 116 1HG GLN 116 7.777 5.726 8.542 936 HG3 GLN 116 2HG GLN 116 7.187 5.930 10.191 937 HE21 GLN 116 1HE2 GLN 116 8.659 6.486 11.614 938 HE22 GLN 116 2HE2 GLN 116 10.351 6.152 11.520 939 H ARG 117 H ARG 117 5.885 1.497 8.970 940 HA ARG 117 HA ARG 117 7.205 -0.501 10.346 941 HB2 ARG 117 1HB ARG 117 4.638 -0.358 8.843 942 HB3 ARG 117 2HB ARG 117 5.221 -1.948 9.317 943 HG2 ARG 117 1HG ARG 117 3.619 -0.822 10.903 944 HG3 ARG 117 2HG ARG 117 5.125 -1.414 11.607 945 HD2 ARG 117 1HD ARG 117 6.049 0.787 11.656 946 HD3 ARG 117 2HD ARG 117 4.709 1.430 10.708 947 HE ARG 117 HE ARG 117 3.622 0.331 13.012 948 HH11 ARG 117 1HH1 ARG 117 5.806 2.901 12.151 949 HH12 ARG 117 2HH1 ARG 117 5.396 3.884 13.517 950 HH21 ARG 117 1HH2 ARG 117 3.072 1.616 14.815 951 HH22 ARG 117 2HH2 ARG 117 3.841 3.152 15.032 952 H LEU 118 H LEU 118 6.319 -0.507 6.893 953 HA LEU 118 HA LEU 118 7.200 -2.874 6.007 954 HB2 LEU 118 1HB LEU 118 7.521 -0.142 4.836 955 HB3 LEU 118 2HB LEU 118 8.181 -1.544 3.997 956 HG LEU 118 HG LEU 118 5.279 -1.277 4.764 957 HD11 LEU 118 1HD1 LEU 118 6.345 0.430 3.068 958 HD12 LEU 118 2HD1 LEU 118 4.779 -0.316 2.753 959 HD13 LEU 118 3HD1 LEU 118 6.228 -0.942 1.965 960 HD21 LEU 118 3HD2 LEU 118 5.356 -3.462 4.278 961 HD22 LEU 118 1HD2 LEU 118 6.933 -3.333 3.499 962 HD23 LEU 118 2HD2 LEU 118 5.470 -2.931 2.600 963 H GLU 119 H GLU 119 9.393 -0.079 6.356 964 HA GLU 119 HA GLU 119 11.777 -1.231 5.715 965 HB2 GLU 119 1HB GLU 119 11.114 0.806 7.831 966 HB3 GLU 119 2HB GLU 119 12.772 0.321 7.504 967 HG2 GLU 119 1HG GLU 119 11.017 1.262 5.279 968 HG3 GLU 119 2HG GLU 119 11.797 2.422 6.353 969 H GLU 120 H GLU 120 10.067 -1.478 8.798 970 HA GLU 120 HA GLU 120 12.017 -2.762 10.303 971 HB2 GLU 120 1HB GLU 120 9.825 -1.893 11.148 972 HB3 GLU 120 2HB GLU 120 9.048 -3.301 10.437 973 HG2 GLU 120 1HG GLU 120 11.296 -3.662 12.364 974 HG3 GLU 120 2HG GLU 120 9.676 -3.292 12.953 975 H ARG 121 H ARG 121 9.477 -4.206 8.272 976 HA ARG 121 HA ARG 121 10.298 -6.883 8.711 977 HB2 ARG 121 1HB ARG 121 8.458 -5.500 6.816 978 HB3 ARG 121 2HB ARG 121 8.967 -7.137 6.427 979 HG2 ARG 121 1HG ARG 121 8.151 -7.862 8.656 980 HG3 ARG 121 2HG ARG 121 7.523 -6.232 8.906 981 HD2 ARG 121 1HD ARG 121 6.053 -6.458 7.010 982 HD3 ARG 121 2HD ARG 121 6.755 -8.025 6.608 983 HE ARG 121 HE ARG 121 4.796 -7.467 8.648 984 HH11 ARG 121 1HH1 ARG 121 7.230 -9.679 7.508 985 HH12 ARG 121 2HH1 ARG 121 6.565 -11.045 8.340 986 HH21 ARG 121 1HH2 ARG 121 3.910 -9.258 9.749 987 HH22 ARG 121 2HH2 ARG 121 4.676 -10.804 9.614 988 H GLN 122 H GLN 122 11.088 -4.468 6.275 989 HA GLN 122 HA GLN 122 12.406 -6.109 4.438 990 HB2 GLN 122 1HB GLN 122 11.838 -3.823 3.890 991 HB3 GLN 122 2HB GLN 122 12.892 -3.216 5.159 992 HG2 GLN 122 1HG GLN 122 13.987 -4.876 2.926 993 HG3 GLN 122 2HG GLN 122 13.702 -3.148 2.719 994 HE21 GLN 122 1HE2 GLN 122 14.624 -1.793 4.560 995 HE22 GLN 122 2HE2 GLN 122 16.224 -2.199 5.072 996 H ARG 123 H ARG 123 14.006 -3.948 6.784 997 HA ARG 123 HA ARG 123 16.513 -5.235 6.553 998 HB2 ARG 123 1HB ARG 123 17.284 -3.717 8.130 999 HB3 ARG 123 2HB ARG 123 15.919 -2.858 7.428 1000 HG2 ARG 123 1HG ARG 123 14.603 -3.980 9.400 1001 HG3 ARG 123 2HG ARG 123 16.210 -4.079 10.123 1002 HD2 ARG 123 1HD ARG 123 16.450 -1.616 9.618 1003 HD3 ARG 123 2HD ARG 123 14.733 -1.618 9.219 1004 HE ARG 123 HE ARG 123 14.243 -1.729 11.456 1005 HH11 ARG 123 1HH1 ARG 123 17.612 -2.459 10.974 1006 HH12 ARG 123 2HH1 ARG 123 17.994 -2.434 12.664 1007 HH21 ARG 123 1HH2 ARG 123 14.732 -1.694 13.684 1008 HH22 ARG 123 2HH2 ARG 123 16.355 -2.000 14.204 1009 H ARG 124 H ARG 124 17.642 -6.024 8.666 1010 HA ARG 124 HA ARG 124 16.049 -7.443 10.557 1011 HB2 ARG 124 1HB ARG 124 16.724 -9.722 9.892 1012 HB3 ARG 124 2HB ARG 124 15.698 -8.951 8.689 1013 HG2 ARG 124 1HG ARG 124 17.845 -8.327 7.482 1014 HG3 ARG 124 2HG ARG 124 18.651 -9.464 8.566 1015 HD2 ARG 124 1HD ARG 124 16.254 -10.247 6.934 1016 HD3 ARG 124 2HD ARG 124 17.891 -10.333 6.284 1017 HE ARG 124 HE ARG 124 17.978 -11.679 8.678 1018 HH11 ARG 124 1HH1 ARG 124 16.195 -11.953 5.700 1019 HH12 ARG 124 2HH1 ARG 124 16.011 -13.672 5.817 1020 HH21 ARG 124 1HH2 ARG 124 17.742 -13.942 8.843 1021 HH22 ARG 124 2HH2 ARG 124 16.890 -14.802 7.606 1022 H ARG 125 H ARG 125 17.202 -7.601 12.368 1023 HA ARG 125 HA ARG 125 20.007 -6.937 12.336 1024 HB2 ARG 125 1HB ARG 125 18.283 -6.181 14.072 1025 HB3 ARG 125 2HB ARG 125 18.413 -7.802 14.740 1026 HG2 ARG 125 1HG ARG 125 19.859 -6.464 16.016 1027 HG3 ARG 125 2HG ARG 125 20.900 -7.383 14.927 1028 HD2 ARG 125 1HD ARG 125 20.646 -5.301 13.380 1029 HD3 ARG 125 2HD ARG 125 20.181 -4.482 14.871 1030 HE ARG 125 HE ARG 125 22.621 -5.956 15.130 1031 HH11 ARG 125 1HH1 ARG 125 21.227 -2.957 14.042 1032 HH12 ARG 125 2HH1 ARG 125 22.693 -2.054 14.238 1033 HH21 ARG 125 1HH2 ARG 125 24.556 -4.778 15.392 1034 HH22 ARG 125 2HH2 ARG 125 24.586 -3.091 15.005 1035 H LYS 126 H LYS 126 21.704 -8.227 13.104 1036 HA LYS 126 HA LYS 126 21.131 -11.119 13.112 1037 HB2 LYS 126 1HB LYS 126 22.578 -9.946 11.227 1038 HB3 LYS 126 2HB LYS 126 23.847 -10.078 12.437 1039 HG2 LYS 126 1HG LYS 126 23.783 -12.409 12.425 1040 HG3 LYS 126 2HG LYS 126 22.199 -12.452 11.646 1041 HD2 LYS 126 1HD LYS 126 23.065 -11.989 9.560 1042 HD3 LYS 126 2HD LYS 126 24.498 -11.193 10.215 1043 HE2 LYS 126 1HE LYS 126 25.374 -13.180 9.437 1044 HE3 LYS 126 2HE LYS 126 25.064 -13.562 11.130 1045 HZ1 LYS 126 3HZ LYS 126 24.242 -15.074 9.102 1046 HZ2 LYS 126 1HZ LYS 126 22.877 -14.094 9.300 1047 HZ3 LYS 126 2HZ LYS 126 23.452 -15.014 10.597 1048 H GLN 127 H GLN 127 20.973 -9.584 15.455 1049 HA GLN 127 HA GLN 127 23.388 -10.439 16.910 1050 HB2 GLN 127 1HB GLN 127 21.557 -8.092 17.288 1051 HB3 GLN 127 2HB GLN 127 22.491 -8.715 18.641 1052 HG2 GLN 127 1HG GLN 127 24.519 -8.472 17.087 1053 HG3 GLN 127 2HG GLN 127 23.464 -7.450 16.112 1054 HE21 GLN 127 1HE2 GLN 127 25.769 -6.467 17.230 1055 HE22 GLN 127 2HE2 GLN 127 25.371 -5.332 18.470 Start of MODEL 13 1 H1 GLY 1 H GLY 1 22.858 39.783 13.838 2 HA2 GLY 1 1HA GLY 1 22.734 37.724 11.891 3 HA3 GLY 1 2HA GLY 1 23.330 37.077 13.413 4 H SER 2 H SER 2 20.814 36.576 11.932 5 HA SER 2 HA SER 2 19.000 37.049 14.183 6 HB2 SER 2 1HB SER 2 18.458 37.754 11.299 7 HB3 SER 2 2HB SER 2 17.159 37.495 12.463 8 HG SER 2 HG SER 2 17.911 39.724 12.199 9 H SER 3 H SER 3 18.373 35.116 14.853 10 HA SER 3 HA SER 3 18.299 32.878 12.985 11 HB2 SER 3 1HB SER 3 19.443 32.565 15.142 12 HB3 SER 3 2HB SER 3 17.942 32.930 15.993 13 HG SER 3 HG SER 3 18.457 30.636 15.661 14 H GLY 4 H GLY 4 16.476 31.509 12.759 15 HA2 GLY 4 1HA GLY 4 14.013 32.869 12.522 16 HA3 GLY 4 2HA GLY 4 14.245 31.135 12.362 17 H SER 5 H SER 5 12.063 32.631 13.630 18 HA SER 5 HA SER 5 12.000 31.136 16.110 19 HB2 SER 5 1HB SER 5 11.439 33.077 17.505 20 HB3 SER 5 2HB SER 5 13.046 33.256 16.801 21 HG SER 5 HG SER 5 11.472 35.109 16.707 22 H SER 6 H SER 6 10.191 30.027 15.693 23 HA SER 6 HA SER 6 7.794 31.554 14.910 24 HB2 SER 6 1HB SER 6 6.984 29.421 13.863 25 HB3 SER 6 2HB SER 6 8.412 30.103 13.084 26 HG SER 6 HG SER 6 8.101 27.708 14.311 27 H GLY 7 H GLY 7 5.763 30.790 15.751 28 HA2 GLY 7 1HA GLY 7 6.095 29.408 18.340 29 HA3 GLY 7 2HA GLY 7 4.887 30.646 18.028 30 H MET 8 H MET 8 2.900 30.002 17.496 31 HA MET 8 HA MET 8 2.115 27.336 17.586 32 HB2 MET 8 1HB MET 8 0.729 29.537 17.767 33 HB3 MET 8 2HB MET 8 0.543 29.360 16.027 34 HG2 MET 8 1HG MET 8 -0.684 27.402 16.228 35 HG3 MET 8 2HG MET 8 -0.111 27.098 17.867 36 HE1 MET 8 3HE MET 8 -0.647 28.304 19.824 37 HE2 MET 8 1HE MET 8 -0.889 30.022 19.510 38 HE3 MET 8 2HE MET 8 -2.209 29.051 20.163 39 H ALA 9 H ALA 9 2.574 25.750 16.221 40 HA ALA 9 HA ALA 9 2.423 26.275 13.337 41 HB1 ALA 9 3HB ALA 9 4.424 24.408 13.486 42 HB2 ALA 9 1HB ALA 9 4.649 26.136 13.217 43 HB3 ALA 9 2HB ALA 9 4.786 25.472 14.845 44 H SER 10 H SER 10 1.852 24.480 12.056 45 HA SER 10 HA SER 10 0.405 22.421 13.542 46 HB2 SER 10 1HB SER 10 -0.719 21.947 11.417 47 HB3 SER 10 2HB SER 10 -0.807 23.668 11.790 48 HG SER 10 HG SER 10 1.283 23.630 10.428 49 H SER 11 H SER 11 0.325 20.244 12.195 50 HA SER 11 HA SER 11 3.129 19.458 11.742 51 HB2 SER 11 1HB SER 11 2.644 17.312 12.636 52 HB3 SER 11 2HB SER 11 1.881 18.461 13.735 53 HG SER 11 HG SER 11 0.251 17.132 13.371 54 H VAL 12 H VAL 12 3.436 17.626 10.236 55 HA VAL 12 HA VAL 12 3.277 16.742 8.144 56 HB VAL 12 HB VAL 12 0.289 17.034 8.416 57 HG11 VAL 12 1HG1 VAL 12 1.229 14.581 7.263 58 HG12 VAL 12 2HG1 VAL 12 0.192 15.822 6.557 59 HG13 VAL 12 3HG1 VAL 12 1.945 15.955 6.423 60 HG21 VAL 12 3HG2 VAL 12 0.148 15.192 9.790 61 HG22 VAL 12 1HG2 VAL 12 1.734 14.584 9.316 62 HG23 VAL 12 2HG2 VAL 12 1.608 15.962 10.409 63 H ASP 13 H ASP 13 3.564 19.582 8.364 64 HA ASP 13 HA ASP 13 1.902 21.097 6.746 65 HB2 ASP 13 1HB ASP 13 4.893 21.309 7.143 66 HB3 ASP 13 2HB ASP 13 3.908 22.543 6.362 67 H GLU 14 H GLU 14 2.792 22.104 4.588 68 HA GLU 14 HA GLU 14 2.400 20.362 2.537 69 HB2 GLU 14 1HB GLU 14 4.140 22.830 2.576 70 HB3 GLU 14 2HB GLU 14 3.697 21.978 1.103 71 HG2 GLU 14 1HG GLU 14 1.874 23.407 3.016 72 HG3 GLU 14 2HG GLU 14 2.231 23.828 1.342 73 H GLU 15 H GLU 15 5.483 21.121 4.090 74 HA GLU 15 HA GLU 15 7.226 19.811 2.387 75 HB2 GLU 15 1HB GLU 15 7.686 21.210 4.525 76 HB3 GLU 15 2HB GLU 15 7.568 19.671 5.368 77 HG2 GLU 15 1HG GLU 15 9.331 18.813 3.775 78 HG3 GLU 15 2HG GLU 15 9.558 20.488 3.275 79 H ALA 16 H ALA 16 5.590 18.469 5.254 80 HA ALA 16 HA ALA 16 6.518 15.917 5.281 81 HB1 ALA 16 3HB ALA 16 5.029 16.384 6.978 82 HB2 ALA 16 1HB ALA 16 3.821 17.052 5.879 83 HB3 ALA 16 2HB ALA 16 4.076 15.308 5.955 84 H LEU 17 H LEU 17 4.050 17.221 3.110 85 HA LEU 17 HA LEU 17 3.403 14.751 1.877 86 HB2 LEU 17 1HB LEU 17 3.074 17.598 0.954 87 HB3 LEU 17 2HB LEU 17 2.438 16.205 0.082 88 HG LEU 17 HG LEU 17 1.657 16.800 2.923 89 HD11 LEU 17 1HD1 LEU 17 -0.133 17.556 0.684 90 HD12 LEU 17 2HD1 LEU 17 1.209 18.636 1.061 91 HD13 LEU 17 3HD1 LEU 17 0.018 18.245 2.301 92 HD21 LEU 17 3HD2 LEU 17 -0.330 15.478 2.271 93 HD22 LEU 17 1HD2 LEU 17 1.174 14.563 2.168 94 HD23 LEU 17 2HD2 LEU 17 0.417 15.182 0.700 95 H HIS 18 H HIS 18 4.998 17.530 0.321 96 HA HIS 18 HA HIS 18 5.997 16.444 -1.904 97 HB2 HIS 18 1HB HIS 18 6.442 18.759 -1.280 98 HB3 HIS 18 2HB HIS 18 7.552 18.230 -0.020 99 HD1 HIS 18 1HD HIS 18 7.749 19.722 -3.132 100 HD2 HIS 18 2HD HIS 18 9.620 16.389 -1.502 101 HE1 HIS 18 1HE HIS 18 9.822 19.372 -4.512 102 HE2 HIS 18 2HE HIS 18 10.892 17.300 -3.561 103 H GLN 19 H GLN 19 7.616 16.178 1.255 104 HA GLN 19 HA GLN 19 9.814 14.684 0.490 105 HB2 GLN 19 1HB GLN 19 8.240 14.822 3.042 106 HB3 GLN 19 2HB GLN 19 9.588 13.704 2.888 107 HG2 GLN 19 1HG GLN 19 9.761 16.680 2.474 108 HG3 GLN 19 2HG GLN 19 10.208 15.832 3.954 109 HE21 GLN 19 1HE2 GLN 19 11.561 13.690 3.108 110 HE22 GLN 19 2HE2 GLN 19 12.976 14.154 2.232 111 H LEU 20 H LEU 20 6.605 13.526 1.478 112 HA LEU 20 HA LEU 20 7.184 10.778 1.252 113 HB2 LEU 20 1HB LEU 20 5.281 11.402 2.498 114 HB3 LEU 20 2HB LEU 20 4.625 12.349 1.164 115 HG LEU 20 HG LEU 20 4.527 9.995 -0.018 116 HD11 LEU 20 1HD1 LEU 20 4.016 9.097 2.783 117 HD12 LEU 20 2HD1 LEU 20 5.650 9.032 2.123 118 HD13 LEU 20 3HD1 LEU 20 4.346 8.142 1.338 119 HD21 LEU 20 3HD2 LEU 20 2.678 11.413 1.790 120 HD22 LEU 20 1HD2 LEU 20 2.256 9.746 1.398 121 HD23 LEU 20 2HD2 LEU 20 2.475 10.927 0.106 122 H TYR 21 H TYR 21 6.078 13.173 -1.065 123 HA TYR 21 HA TYR 21 5.341 11.408 -3.132 124 HB2 TYR 21 1HB TYR 21 6.205 14.291 -3.099 125 HB3 TYR 21 2HB TYR 21 5.836 13.461 -4.606 126 HD1 TYR 21 1HD TYR 21 4.186 13.348 -1.257 127 HD2 TYR 21 2HD TYR 21 3.821 14.285 -5.391 128 HE1 TYR 21 1HE TYR 21 1.797 13.830 -0.930 129 HE2 TYR 21 2HE TYR 21 1.430 14.771 -5.075 130 HH TYR 21 HH TYR 21 0.017 15.140 -2.018 131 H LEU 22 H LEU 22 8.371 12.144 -1.832 132 HA LEU 22 HA LEU 22 9.840 11.559 -4.278 133 HB2 LEU 22 1HB LEU 22 10.681 12.322 -1.495 134 HB3 LEU 22 2HB LEU 22 11.836 11.842 -2.737 135 HG LEU 22 HG LEU 22 9.938 14.131 -3.159 136 HD11 LEU 22 1HD1 LEU 22 10.997 14.888 -1.242 137 HD12 LEU 22 2HD1 LEU 22 12.024 15.516 -2.530 138 HD13 LEU 22 3HD1 LEU 22 12.513 14.077 -1.636 139 HD21 LEU 22 3HD2 LEU 22 11.398 12.920 -4.970 140 HD22 LEU 22 1HD2 LEU 22 12.693 13.893 -4.271 141 HD23 LEU 22 2HD2 LEU 22 11.267 14.679 -4.948 142 H TRP 23 H TRP 23 9.441 10.199 -1.019 143 HA TRP 23 HA TRP 23 11.084 8.021 -1.139 144 HB2 TRP 23 1HB TRP 23 9.951 8.390 0.895 145 HB3 TRP 23 2HB TRP 23 8.371 8.369 0.118 146 HD1 TRP 23 HD TRP 23 11.269 5.836 0.685 147 HE1 TRP 23 1HE TRP 23 10.218 3.540 1.182 148 HE3 TRP 23 3HE TRP 23 6.335 7.082 0.201 149 HZ2 TRP 23 2HZ TRP 23 7.638 2.407 1.346 150 HZ3 TRP 23 3HZ TRP 23 4.638 5.333 0.544 151 HH2 TRP 23 HH TRP 23 5.278 3.045 1.103 152 H VAL 24 H VAL 24 7.744 8.196 -2.350 153 HA VAL 24 HA VAL 24 7.593 5.556 -3.298 154 HB VAL 24 HB VAL 24 6.147 8.011 -4.305 155 HG11 VAL 24 1HG1 VAL 24 4.598 5.686 -4.648 156 HG12 VAL 24 2HG1 VAL 24 5.302 6.715 -5.898 157 HG13 VAL 24 3HG1 VAL 24 6.200 5.324 -5.290 158 HG21 VAL 24 3HG2 VAL 24 4.280 6.938 -2.901 159 HG22 VAL 24 1HG2 VAL 24 5.578 6.031 -2.125 160 HG23 VAL 24 2HG2 VAL 24 5.568 7.793 -2.053 161 H ASP 25 H ASP 25 8.506 8.570 -4.938 162 HA ASP 25 HA ASP 25 8.766 7.893 -7.517 163 HB2 ASP 25 1HB ASP 25 9.497 10.057 -6.533 164 HB3 ASP 25 2HB ASP 25 10.966 9.270 -5.963 165 H ASN 26 H ASN 26 11.311 7.195 -5.116 166 HA ASN 26 HA ASN 26 13.143 5.880 -6.608 167 HB2 ASN 26 1HB ASN 26 13.598 6.126 -4.302 168 HB3 ASN 26 2HB ASN 26 12.135 5.264 -3.836 169 HD21 ASN 26 1HD2 ASN 26 15.369 5.020 -3.974 170 HD22 ASN 26 2HD2 ASN 26 15.542 3.304 -4.088 171 H ILE 27 H ILE 27 10.294 4.320 -5.139 172 HA ILE 27 HA ILE 27 10.742 1.804 -6.362 173 HB ILE 27 HB ILE 27 8.186 2.965 -5.247 174 HG12 ILE 27 1HG1 ILE 27 9.952 0.924 -3.922 175 HG13 ILE 27 2HG1 ILE 27 10.283 2.644 -3.753 176 HG21 ILE 27 1HG2 ILE 27 8.070 0.218 -5.013 177 HG22 ILE 27 2HG2 ILE 27 7.207 1.201 -6.194 178 HG23 ILE 27 3HG2 ILE 27 8.754 0.470 -6.619 179 HD11 ILE 27 3HD1 ILE 27 9.020 1.887 -1.866 180 HD12 ILE 27 1HD1 ILE 27 8.006 2.946 -2.846 181 HD13 ILE 27 2HD1 ILE 27 7.784 1.197 -2.917 182 HA PRO 28 HA PRO 28 9.381 2.889 -10.458 183 HB2 PRO 28 1HB PRO 28 9.581 0.388 -11.495 184 HB3 PRO 28 2HB PRO 28 10.984 1.423 -11.207 185 HG2 PRO 28 1HG PRO 28 9.907 -0.815 -9.536 186 HG3 PRO 28 2HG PRO 28 11.589 -0.438 -9.951 187 HD2 PRO 28 1HD PRO 28 10.497 0.213 -7.560 188 HD3 PRO 28 2HD PRO 28 11.752 1.200 -8.337 189 H LEU 29 H LEU 29 7.219 3.395 -10.178 190 HA LEU 29 HA LEU 29 5.336 1.132 -10.122 191 HB2 LEU 29 1HB LEU 29 5.125 3.952 -9.127 192 HB3 LEU 29 2HB LEU 29 3.685 2.989 -9.451 193 HG LEU 29 HG LEU 29 5.843 2.116 -7.540 194 HD11 LEU 29 1HD1 LEU 29 4.233 2.869 -5.770 195 HD12 LEU 29 2HD1 LEU 29 3.368 3.750 -7.029 196 HD13 LEU 29 3HD1 LEU 29 5.040 4.166 -6.652 197 HD21 LEU 29 3HD2 LEU 29 3.213 1.091 -8.416 198 HD22 LEU 29 1HD2 LEU 29 3.572 0.976 -6.693 199 HD23 LEU 29 2HD2 LEU 29 4.648 0.223 -7.870 200 H SER 30 H SER 30 4.991 0.675 -12.233 201 HA SER 30 HA SER 30 4.964 2.448 -14.369 202 HB2 SER 30 1HB SER 30 3.636 -0.223 -13.945 203 HB3 SER 30 2HB SER 30 3.461 0.660 -15.462 204 HG SER 30 HG SER 30 5.217 -0.603 -15.755 205 H ARG 31 H ARG 31 3.820 4.307 -14.148 206 HA ARG 31 HA ARG 31 0.931 4.088 -14.326 207 HB2 ARG 31 1HB ARG 31 1.780 4.370 -11.845 208 HB3 ARG 31 2HB ARG 31 1.963 6.052 -12.324 209 HG2 ARG 31 1HG ARG 31 -0.153 6.126 -11.511 210 HG3 ARG 31 2HG ARG 31 -0.511 5.699 -13.186 211 HD2 ARG 31 1HD ARG 31 -0.052 3.544 -11.169 212 HD3 ARG 31 2HD ARG 31 -1.609 4.370 -11.226 213 HE ARG 31 HE ARG 31 -1.140 3.642 -13.810 214 HH11 ARG 31 1HH1 ARG 31 -1.265 1.950 -10.770 215 HH12 ARG 31 2HH1 ARG 31 -1.817 0.465 -11.471 216 HH21 ARG 31 1HH2 ARG 31 -1.866 1.693 -14.744 217 HH22 ARG 31 2HH2 ARG 31 -2.158 0.319 -13.732 218 HA PRO 32 HA PRO 32 1.988 7.265 -17.266 219 HB2 PRO 32 1HB PRO 32 -0.531 7.608 -18.218 220 HB3 PRO 32 2HB PRO 32 0.492 6.241 -18.676 221 HG2 PRO 32 1HG PRO 32 -1.706 6.366 -16.648 222 HG3 PRO 32 2HG PRO 32 -1.357 5.103 -17.843 223 HD2 PRO 32 1HD PRO 32 -0.654 4.878 -15.237 224 HD3 PRO 32 2HD PRO 32 0.304 4.163 -16.550 225 H LYS 33 H LYS 33 0.342 9.306 -17.944 226 HA LYS 33 HA LYS 33 0.567 11.050 -15.690 227 HB2 LYS 33 1HB LYS 33 -0.568 11.435 -18.461 228 HB3 LYS 33 2HB LYS 33 -0.498 12.721 -17.262 229 HG2 LYS 33 1HG LYS 33 1.447 13.174 -18.299 230 HG3 LYS 33 2HG LYS 33 2.060 11.933 -17.204 231 HD2 LYS 33 1HD LYS 33 1.301 10.344 -19.189 232 HD3 LYS 33 2HD LYS 33 1.557 11.814 -20.131 233 HE2 LYS 33 1HE LYS 33 3.832 11.972 -19.341 234 HE3 LYS 33 2HE LYS 33 3.588 10.600 -18.261 235 HZ1 LYS 33 3HZ LYS 33 2.954 9.438 -20.514 236 HZ2 LYS 33 1HZ LYS 33 4.566 9.562 -20.014 237 HZ3 LYS 33 2HZ LYS 33 3.952 10.640 -21.164 238 H ARG 34 H ARG 34 -0.839 11.015 -14.067 239 HA ARG 34 HA ARG 34 -3.622 11.467 -14.521 240 HB2 ARG 34 1HB ARG 34 -3.334 8.960 -14.865 241 HB3 ARG 34 2HB ARG 34 -2.948 8.867 -13.152 242 HG2 ARG 34 1HG ARG 34 -5.102 9.469 -12.507 243 HG3 ARG 34 2HG ARG 34 -5.489 10.138 -14.094 244 HD2 ARG 34 1HD ARG 34 -5.836 8.060 -15.033 245 HD3 ARG 34 2HD ARG 34 -4.823 7.240 -13.846 246 HE ARG 34 HE ARG 34 -7.063 8.325 -12.547 247 HH11 ARG 34 1HH1 ARG 34 -6.229 5.809 -14.804 248 HH12 ARG 34 2HH1 ARG 34 -7.546 4.781 -14.346 249 HH21 ARG 34 1HH2 ARG 34 -8.801 6.980 -11.935 250 HH22 ARG 34 2HH2 ARG 34 -9.009 5.449 -12.714 251 H ASN 35 H ASN 35 -4.837 11.620 -12.444 252 HA ASN 35 HA ASN 35 -3.561 13.264 -10.623 253 HB2 ASN 35 1HB ASN 35 -6.058 11.592 -10.415 254 HB3 ASN 35 2HB ASN 35 -5.517 12.604 -9.078 255 HD21 ASN 35 1HD2 ASN 35 -5.474 14.859 -9.347 256 HD22 ASN 35 2HD2 ASN 35 -6.421 15.635 -10.566 257 H LEU 36 H LEU 36 -2.719 12.984 -8.555 258 HA LEU 36 HA LEU 36 -1.546 10.366 -8.083 259 HB2 LEU 36 1HB LEU 36 -0.442 12.752 -7.895 260 HB3 LEU 36 2HB LEU 36 -1.113 12.686 -6.266 261 HG LEU 36 HG LEU 36 0.146 10.507 -5.980 262 HD11 LEU 36 1HD1 LEU 36 2.250 10.936 -7.748 263 HD12 LEU 36 2HD1 LEU 36 0.793 11.096 -8.729 264 HD13 LEU 36 3HD1 LEU 36 1.071 9.625 -7.796 265 HD21 LEU 36 3HD2 LEU 36 2.380 11.755 -5.772 266 HD22 LEU 36 1HD2 LEU 36 1.009 12.345 -4.832 267 HD23 LEU 36 2HD2 LEU 36 1.481 13.172 -6.317 268 H SER 37 H SER 37 -3.549 12.720 -6.327 269 HA SER 37 HA SER 37 -3.931 11.122 -4.032 270 HB2 SER 37 1HB SER 37 -4.329 13.566 -4.080 271 HB3 SER 37 2HB SER 37 -5.728 13.303 -5.121 272 HG SER 37 HG SER 37 -6.638 12.054 -3.415 273 H ARG 38 H ARG 38 -5.482 11.208 -7.140 274 HA ARG 38 HA ARG 38 -7.818 9.748 -6.358 275 HB2 ARG 38 1HB ARG 38 -7.590 11.284 -8.377 276 HB3 ARG 38 2HB ARG 38 -6.704 9.977 -9.150 277 HG2 ARG 38 1HG ARG 38 -8.884 9.741 -9.930 278 HG3 ARG 38 2HG ARG 38 -8.750 8.533 -8.651 279 HD2 ARG 38 1HD ARG 38 -10.798 9.540 -8.216 280 HD3 ARG 38 2HD ARG 38 -9.698 10.373 -7.117 281 HE ARG 38 HE ARG 38 -10.143 12.309 -8.234 282 HH11 ARG 38 1HH1 ARG 38 -10.973 9.626 -10.291 283 HH12 ARG 38 2HH1 ARG 38 -11.655 10.622 -11.534 284 HH21 ARG 38 1HH2 ARG 38 -11.038 13.631 -9.863 285 HH22 ARG 38 2HH2 ARG 38 -11.691 12.899 -11.290 286 H ASP 39 H ASP 39 -4.752 8.920 -7.927 287 HA ASP 39 HA ASP 39 -5.335 6.208 -8.410 288 HB2 ASP 39 1HB ASP 39 -2.728 7.688 -8.062 289 HB3 ASP 39 2HB ASP 39 -2.800 5.972 -8.452 290 H PHE 40 H PHE 40 -3.914 7.866 -5.637 291 HA PHE 40 HA PHE 40 -3.352 5.440 -4.212 292 HB2 PHE 40 1HB PHE 40 -3.144 8.357 -3.650 293 HB3 PHE 40 2HB PHE 40 -3.224 7.267 -2.269 294 HD1 PHE 40 2HD PHE 40 -1.301 8.124 -5.297 295 HD2 PHE 40 1HD PHE 40 -1.374 5.939 -1.645 296 HE1 PHE 40 2HE PHE 40 1.104 7.662 -5.529 297 HE2 PHE 40 1HE PHE 40 1.032 5.474 -1.871 298 HZ PHE 40 HZ PHE 40 2.273 6.335 -3.816 299 H SER 41 H SER 41 -5.897 7.886 -4.152 300 HA SER 41 HA SER 41 -7.287 7.287 -1.896 301 HB2 SER 41 1HB SER 41 -8.076 9.043 -3.315 302 HB3 SER 41 2HB SER 41 -8.350 7.926 -4.652 303 HG SER 41 HG SER 41 -10.026 8.622 -2.696 304 H ASP 42 H ASP 42 -7.014 5.336 -4.770 305 HA ASP 42 HA ASP 42 -9.056 3.470 -3.861 306 HB2 ASP 42 1HB ASP 42 -8.758 4.121 -6.292 307 HB3 ASP 42 2HB ASP 42 -7.261 3.193 -6.273 308 H GLY 43 H GLY 43 -8.677 1.496 -2.991 309 HA2 GLY 43 1HA GLY 43 -6.030 0.996 -1.956 310 HA3 GLY 43 2HA GLY 43 -7.470 0.034 -1.654 311 H VAL 44 H VAL 44 -5.926 0.901 -4.730 312 HA VAL 44 HA VAL 44 -5.594 -1.981 -5.256 313 HB VAL 44 HB VAL 44 -6.063 0.245 -7.244 314 HG11 VAL 44 1HG1 VAL 44 -6.375 -2.414 -8.286 315 HG12 VAL 44 2HG1 VAL 44 -5.341 -1.103 -8.857 316 HG13 VAL 44 3HG1 VAL 44 -4.760 -2.207 -7.610 317 HG21 VAL 44 3HG2 VAL 44 -8.233 -0.570 -7.532 318 HG22 VAL 44 1HG2 VAL 44 -7.867 -2.093 -6.721 319 HG23 VAL 44 2HG2 VAL 44 -7.998 -0.604 -5.785 320 H LEU 45 H LEU 45 -4.170 1.224 -5.674 321 HA LEU 45 HA LEU 45 -1.749 0.214 -6.843 322 HB2 LEU 45 1HB LEU 45 -2.564 2.442 -7.380 323 HB3 LEU 45 2HB LEU 45 -2.416 2.918 -5.689 324 HG LEU 45 HG LEU 45 0.121 2.244 -6.129 325 HD11 LEU 45 1HD1 LEU 45 -1.081 2.631 -8.810 326 HD12 LEU 45 2HD1 LEU 45 0.274 1.622 -8.307 327 HD13 LEU 45 3HD1 LEU 45 0.497 3.359 -8.509 328 HD21 LEU 45 3HD2 LEU 45 -0.707 4.887 -7.218 329 HD22 LEU 45 1HD2 LEU 45 0.576 4.485 -6.076 330 HD23 LEU 45 2HD2 LEU 45 -1.106 4.498 -5.544 331 H VAL 46 H VAL 46 -2.714 1.434 -3.659 332 HA VAL 46 HA VAL 46 -0.391 1.579 -2.288 333 HB VAL 46 HB VAL 46 -2.898 0.222 -1.285 334 HG11 VAL 46 1HG1 VAL 46 -0.537 0.101 -0.041 335 HG12 VAL 46 2HG1 VAL 46 -1.079 1.676 0.541 336 HG13 VAL 46 3HG1 VAL 46 -2.067 0.242 0.825 337 HG21 VAL 46 3HG2 VAL 46 -2.017 3.102 -1.095 338 HG22 VAL 46 1HG2 VAL 46 -3.291 2.481 -2.143 339 HG23 VAL 46 2HG2 VAL 46 -3.481 2.416 -0.391 340 H ALA 47 H ALA 47 -2.037 -1.390 -3.244 341 HA ALA 47 HA ALA 47 -0.449 -3.207 -1.808 342 HB1 ALA 47 3HB ALA 47 -2.585 -3.809 -2.848 343 HB2 ALA 47 1HB ALA 47 -1.851 -3.640 -4.443 344 HB3 ALA 47 2HB ALA 47 -1.288 -4.897 -3.341 345 H GLU 48 H GLU 48 -0.094 -1.865 -5.070 346 HA GLU 48 HA GLU 48 2.028 -3.368 -5.991 347 HB2 GLU 48 1HB GLU 48 1.555 -0.414 -6.437 348 HB3 GLU 48 2HB GLU 48 2.593 -1.441 -7.417 349 HG2 GLU 48 1HG GLU 48 0.602 -2.811 -7.986 350 HG3 GLU 48 2HG GLU 48 -0.394 -1.640 -7.123 351 H VAL 49 H VAL 49 2.128 -0.426 -4.007 352 HA VAL 49 HA VAL 49 4.869 -0.044 -3.891 353 HB VAL 49 HB VAL 49 2.862 0.428 -1.682 354 HG11 VAL 49 1HG1 VAL 49 4.454 2.003 -0.774 355 HG12 VAL 49 2HG1 VAL 49 5.207 0.413 -0.906 356 HG13 VAL 49 3HG1 VAL 49 5.581 1.668 -2.088 357 HG21 VAL 49 3HG2 VAL 49 2.900 2.766 -2.547 358 HG22 VAL 49 1HG2 VAL 49 3.843 2.191 -3.922 359 HG23 VAL 49 2HG2 VAL 49 2.201 1.599 -3.669 360 H ILE 50 H ILE 50 2.873 -2.380 -2.231 361 HA ILE 50 HA ILE 50 4.820 -3.153 -0.297 362 HB ILE 50 HB ILE 50 2.494 -4.787 -1.312 363 HG12 ILE 50 1HG1 ILE 50 2.513 -2.987 1.109 364 HG13 ILE 50 2HG1 ILE 50 1.943 -2.444 -0.465 365 HG21 ILE 50 1HG2 ILE 50 4.509 -5.163 0.759 366 HG22 ILE 50 2HG2 ILE 50 2.858 -5.334 1.353 367 HG23 ILE 50 3HG2 ILE 50 3.419 -6.331 0.011 368 HD11 ILE 50 3HD1 ILE 50 -0.031 -3.094 0.422 369 HD12 ILE 50 1HD1 ILE 50 0.474 -4.644 -0.252 370 HD13 ILE 50 2HD1 ILE 50 0.708 -4.309 1.464 371 H LYS 51 H LYS 51 3.874 -4.370 -3.478 372 HA LYS 51 HA LYS 51 5.157 -6.742 -3.680 373 HB2 LYS 51 1HB LYS 51 3.957 -5.860 -5.559 374 HB3 LYS 51 2HB LYS 51 5.067 -4.503 -5.704 375 HG2 LYS 51 1HG LYS 51 5.764 -5.882 -7.406 376 HG3 LYS 51 2HG LYS 51 6.857 -6.340 -6.098 377 HD2 LYS 51 1HD LYS 51 6.192 -8.414 -6.792 378 HD3 LYS 51 2HD LYS 51 4.943 -8.090 -5.589 379 HE2 LYS 51 1HE LYS 51 3.651 -7.065 -7.599 380 HE3 LYS 51 2HE LYS 51 4.768 -8.018 -8.575 381 HZ1 LYS 51 3HZ LYS 51 2.879 -9.353 -8.237 382 HZ2 LYS 51 1HZ LYS 51 2.805 -8.996 -6.585 383 HZ3 LYS 51 2HZ LYS 51 4.051 -9.970 -7.185 384 H PHE 52 H PHE 52 6.712 -3.575 -4.159 385 HA PHE 52 HA PHE 52 9.264 -4.336 -4.764 386 HB2 PHE 52 1HB PHE 52 8.643 -2.003 -4.709 387 HB3 PHE 52 2HB PHE 52 8.368 -2.073 -2.972 388 HD1 PHE 52 2HD PHE 52 10.256 -2.214 -1.420 389 HD2 PHE 52 1HD PHE 52 10.842 -1.792 -5.615 390 HE1 PHE 52 2HE PHE 52 12.590 -1.545 -1.023 391 HE2 PHE 52 1HE PHE 52 13.177 -1.123 -5.225 392 HZ PHE 52 HZ PHE 52 14.054 -0.997 -2.927 393 H TYR 53 H TYR 53 7.804 -4.166 -1.544 394 HA TYR 53 HA TYR 53 10.230 -5.111 -0.276 395 HB2 TYR 53 1HB TYR 53 7.481 -4.632 0.894 396 HB3 TYR 53 2HB TYR 53 8.950 -4.948 1.810 397 HD1 TYR 53 1HD TYR 53 10.870 -3.265 1.583 398 HD2 TYR 53 2HD TYR 53 6.891 -2.444 0.318 399 HE1 TYR 53 1HE TYR 53 11.353 -0.854 1.647 400 HE2 TYR 53 2HE TYR 53 7.364 -0.031 0.377 401 HH TYR 53 HH TYR 53 10.377 1.251 0.450 402 H PHE 54 H PHE 54 6.859 -6.278 -0.172 403 HA PHE 54 HA PHE 54 7.910 -9.028 -0.271 404 HB2 PHE 54 1HB PHE 54 5.465 -8.170 1.282 405 HB3 PHE 54 2HB PHE 54 6.250 -9.746 1.307 406 HD1 PHE 54 1HD PHE 54 8.871 -9.558 1.929 407 HD2 PHE 54 2HD PHE 54 5.818 -6.833 3.099 408 HE1 PHE 54 1HE PHE 54 10.248 -8.842 3.838 409 HE2 PHE 54 2HE PHE 54 7.190 -6.111 5.010 410 HZ PHE 54 HZ PHE 54 9.408 -7.115 5.381 411 HA PRO 55 HA PRO 55 5.271 -9.175 -3.856 412 HB2 PRO 55 1HB PRO 55 5.794 -11.765 -4.478 413 HB3 PRO 55 2HB PRO 55 6.920 -10.447 -4.825 414 HG2 PRO 55 1HG PRO 55 6.930 -12.399 -2.555 415 HG3 PRO 55 2HG PRO 55 8.287 -11.820 -3.539 416 HD2 PRO 55 1HD PRO 55 7.763 -10.849 -1.066 417 HD3 PRO 55 2HD PRO 55 8.473 -9.853 -2.353 418 H LYS 56 H LYS 56 5.310 -11.984 -1.652 419 HA LYS 56 HA LYS 56 2.803 -12.996 -2.260 420 HB2 LYS 56 1HB LYS 56 4.579 -13.130 0.134 421 HB3 LYS 56 2HB LYS 56 2.928 -13.715 0.291 422 HG2 LYS 56 1HG LYS 56 4.324 -15.568 -0.242 423 HG3 LYS 56 2HG LYS 56 3.340 -15.204 -1.661 424 HD2 LYS 56 1HD LYS 56 5.415 -15.480 -2.619 425 HD3 LYS 56 2HD LYS 56 5.401 -13.737 -2.339 426 HE2 LYS 56 1HE LYS 56 6.593 -15.751 -0.439 427 HE3 LYS 56 2HE LYS 56 7.516 -14.878 -1.660 428 HZ1 LYS 56 3HZ LYS 56 7.817 -13.490 0.086 429 HZ2 LYS 56 1HZ LYS 56 6.363 -13.913 0.840 430 HZ3 LYS 56 2HZ LYS 56 6.356 -12.842 -0.469 431 H MET 57 H MET 57 3.608 -10.901 0.519 432 HA MET 57 HA MET 57 1.235 -10.441 1.657 433 HB2 MET 57 1HB MET 57 3.419 -8.492 0.985 434 HB3 MET 57 2HB MET 57 1.982 -7.965 1.849 435 HG2 MET 57 1HG MET 57 2.588 -10.035 3.378 436 HG3 MET 57 2HG MET 57 4.199 -9.718 2.738 437 HE1 MET 57 3HE MET 57 1.656 -6.789 5.203 438 HE2 MET 57 1HE MET 57 1.505 -6.750 3.446 439 HE3 MET 57 2HE MET 57 1.085 -8.214 4.335 440 H VAL 58 H VAL 58 2.265 -9.039 -1.419 441 HA VAL 58 HA VAL 58 0.181 -7.272 -1.874 442 HB VAL 58 HB VAL 58 1.509 -8.985 -3.977 443 HG11 VAL 58 1HG1 VAL 58 -0.112 -6.470 -4.053 444 HG12 VAL 58 2HG1 VAL 58 1.080 -6.810 -5.309 445 HG13 VAL 58 3HG1 VAL 58 -0.261 -7.924 -5.039 446 HG21 VAL 58 3HG2 VAL 58 3.214 -7.911 -2.653 447 HG22 VAL 58 1HG2 VAL 58 3.087 -7.087 -4.207 448 HG23 VAL 58 2HG2 VAL 58 2.377 -6.363 -2.764 449 H GLU 59 H GLU 59 0.364 -10.442 -3.488 450 HA GLU 59 HA GLU 59 -1.277 -11.820 -4.271 451 HB2 GLU 59 1HB GLU 59 -1.339 -11.965 -1.642 452 HB3 GLU 59 2HB GLU 59 -2.907 -11.194 -1.843 453 HG2 GLU 59 1HG GLU 59 -3.317 -13.505 -1.741 454 HG3 GLU 59 2HG GLU 59 -3.491 -13.052 -3.436 455 H MET 60 H MET 60 -1.508 -9.463 -5.506 456 HA MET 60 HA MET 60 -4.135 -8.329 -5.218 457 HB2 MET 60 1HB MET 60 -1.770 -7.851 -6.959 458 HB3 MET 60 2HB MET 60 -3.335 -7.315 -7.555 459 HG2 MET 60 1HG MET 60 -3.491 -6.266 -5.135 460 HG3 MET 60 2HG MET 60 -1.735 -6.333 -5.262 461 HE1 MET 60 3HE MET 60 -4.949 -4.098 -6.705 462 HE2 MET 60 1HE MET 60 -4.431 -4.392 -8.365 463 HE3 MET 60 2HE MET 60 -4.793 -5.751 -7.302 464 H HIS 61 H HIS 61 -4.538 -10.969 -5.551 465 HA HIS 61 HA HIS 61 -5.314 -11.315 -8.366 466 HB2 HIS 61 1HB HIS 61 -3.832 -13.046 -7.260 467 HB3 HIS 61 2HB HIS 61 -5.208 -13.457 -6.240 468 HD1 HIS 61 1HD HIS 61 -4.393 -13.271 -9.952 469 HD2 HIS 61 2HD HIS 61 -6.787 -15.386 -7.295 470 HE1 HIS 61 1HE HIS 61 -5.510 -15.055 -11.327 471 HE2 HIS 61 2HE HIS 61 -7.018 -16.268 -9.715 472 H ASN 62 H ASN 62 -6.595 -10.264 -5.553 473 HA ASN 62 HA ASN 62 -9.266 -11.337 -6.186 474 HB2 ASN 62 1HB ASN 62 -8.672 -10.178 -3.499 475 HB3 ASN 62 2HB ASN 62 -9.807 -11.449 -3.945 476 HD21 ASN 62 1HD2 ASN 62 -6.487 -10.685 -3.235 477 HD22 ASN 62 2HD2 ASN 62 -5.959 -12.310 -2.982 478 H TYR 63 H TYR 63 -7.320 -8.524 -5.646 479 HA TYR 63 HA TYR 63 -9.552 -6.705 -5.471 480 HB2 TYR 63 1HB TYR 63 -6.599 -6.162 -5.846 481 HB3 TYR 63 2HB TYR 63 -7.824 -4.945 -5.507 482 HD1 TYR 63 2HD TYR 63 -9.222 -5.334 -3.324 483 HD2 TYR 63 1HD TYR 63 -5.430 -7.108 -4.083 484 HE1 TYR 63 2HE TYR 63 -8.910 -5.685 -0.910 485 HE2 TYR 63 1HE TYR 63 -5.108 -7.465 -1.671 486 HH TYR 63 HH TYR 63 -7.531 -6.377 0.687 487 H VAL 64 H VAL 64 -9.919 -4.975 -7.009 488 HA VAL 64 HA VAL 64 -8.854 -5.258 -9.683 489 HB VAL 64 HB VAL 64 -11.797 -5.710 -9.170 490 HG11 VAL 64 1HG1 VAL 64 -10.542 -5.901 -11.867 491 HG12 VAL 64 2HG1 VAL 64 -12.212 -5.543 -11.422 492 HG13 VAL 64 3HG1 VAL 64 -10.963 -4.312 -11.228 493 HG21 VAL 64 3HG2 VAL 64 -11.349 -7.885 -10.310 494 HG22 VAL 64 1HG2 VAL 64 -9.627 -7.515 -10.226 495 HG23 VAL 64 2HG2 VAL 64 -10.559 -7.716 -8.742 496 HA PRO 65 HA PRO 65 -9.504 -0.896 -9.485 497 HB2 PRO 65 1HB PRO 65 -9.096 -0.333 -12.110 498 HB3 PRO 65 2HB PRO 65 -7.781 -0.734 -10.998 499 HG2 PRO 65 1HG PRO 65 -9.184 -2.483 -12.981 500 HG3 PRO 65 2HG PRO 65 -7.452 -2.367 -12.620 501 HD2 PRO 65 1HD PRO 65 -9.015 -4.349 -11.640 502 HD3 PRO 65 2HD PRO 65 -7.625 -3.698 -10.747 503 H ALA 66 H ALA 66 -11.707 -0.757 -8.992 504 HA ALA 66 HA ALA 66 -13.592 -0.863 -11.239 505 HB1 ALA 66 3HB ALA 66 -14.009 -2.147 -9.088 506 HB2 ALA 66 1HB ALA 66 -14.320 -0.581 -8.337 507 HB3 ALA 66 2HB ALA 66 -15.328 -1.134 -9.675 508 H ASN 67 H ASN 67 -15.124 0.838 -11.547 509 HA ASN 67 HA ASN 67 -13.981 3.454 -11.010 510 HB2 ASN 67 1HB ASN 67 -14.929 2.671 -13.271 511 HB3 ASN 67 2HB ASN 67 -16.515 2.923 -12.549 512 HD21 ASN 67 1HD2 ASN 67 -17.378 4.841 -12.832 513 HD22 ASN 67 2HD2 ASN 67 -16.524 6.301 -13.187 514 H SER 68 H SER 68 -16.793 1.547 -10.148 515 HA SER 68 HA SER 68 -18.328 3.592 -8.974 516 HB2 SER 68 1HB SER 68 -18.246 0.605 -8.585 517 HB3 SER 68 2HB SER 68 -19.344 1.626 -7.658 518 HG SER 68 HG SER 68 -20.395 2.182 -9.494 519 H LEU 69 H LEU 69 -18.923 3.196 -6.470 520 HA LEU 69 HA LEU 69 -16.408 3.688 -5.043 521 HB2 LEU 69 1HB LEU 69 -18.069 5.465 -4.953 522 HB3 LEU 69 2HB LEU 69 -19.256 4.339 -4.298 523 HG LEU 69 HG LEU 69 -16.724 4.776 -2.789 524 HD11 LEU 69 1HD1 LEU 69 -19.048 6.695 -2.818 525 HD12 LEU 69 2HD1 LEU 69 -17.397 7.035 -3.334 526 HD13 LEU 69 3HD1 LEU 69 -17.738 6.697 -1.638 527 HD21 LEU 69 3HD2 LEU 69 -18.302 4.491 -0.888 528 HD22 LEU 69 1HD2 LEU 69 -18.238 3.104 -1.976 529 HD23 LEU 69 2HD2 LEU 69 -19.596 4.227 -2.057 530 H GLN 70 H GLN 70 -19.448 1.881 -4.769 531 HA GLN 70 HA GLN 70 -19.189 0.631 -2.374 532 HB2 GLN 70 1HB GLN 70 -20.256 -0.305 -5.007 533 HB3 GLN 70 2HB GLN 70 -20.173 -1.437 -3.664 534 HG2 GLN 70 1HG GLN 70 -21.450 1.219 -3.246 535 HG3 GLN 70 2HG GLN 70 -22.332 -0.042 -4.106 536 HE21 GLN 70 1HE2 GLN 70 -23.849 -0.521 -2.620 537 HE22 GLN 70 2HE2 GLN 70 -23.510 -1.148 -1.046 538 H GLN 71 H GLN 71 -17.552 -0.270 -5.380 539 HA GLN 71 HA GLN 71 -16.280 -2.577 -4.334 540 HB2 GLN 71 1HB GLN 71 -15.839 -0.855 -6.752 541 HB3 GLN 71 2HB GLN 71 -14.693 -2.125 -6.344 542 HG2 GLN 71 1HG GLN 71 -17.569 -2.377 -7.133 543 HG3 GLN 71 2HG GLN 71 -16.146 -3.109 -7.874 544 HE21 GLN 71 1HE2 GLN 71 -15.019 -4.752 -6.623 545 HE22 GLN 71 2HE2 GLN 71 -15.929 -5.771 -5.566 546 H LYS 72 H LYS 72 -15.241 0.786 -4.733 547 HA LYS 72 HA LYS 72 -12.606 0.692 -4.092 548 HB2 LYS 72 1HB LYS 72 -14.606 2.692 -3.022 549 HB3 LYS 72 2HB LYS 72 -12.864 2.926 -3.080 550 HG2 LYS 72 1HG LYS 72 -14.354 2.316 -5.591 551 HG3 LYS 72 2HG LYS 72 -14.385 3.949 -4.922 552 HD2 LYS 72 1HD LYS 72 -11.959 4.049 -4.990 553 HD3 LYS 72 2HD LYS 72 -11.887 2.385 -5.576 554 HE2 LYS 72 1HE LYS 72 -12.895 2.980 -7.641 555 HE3 LYS 72 2HE LYS 72 -13.334 4.580 -7.043 556 HZ1 LYS 72 3HZ LYS 72 -10.501 3.795 -7.138 557 HZ2 LYS 72 1HZ LYS 72 -11.190 5.338 -7.230 558 HZ3 LYS 72 2HZ LYS 72 -11.273 4.294 -8.558 559 H LEU 73 H LEU 73 -15.115 1.221 -1.608 560 HA LEU 73 HA LEU 73 -13.437 0.802 0.588 561 HB2 LEU 73 1HB LEU 73 -16.400 0.638 0.194 562 HB3 LEU 73 2HB LEU 73 -15.677 0.213 1.744 563 HG LEU 73 HG LEU 73 -15.244 2.888 0.436 564 HD11 LEU 73 1HD1 LEU 73 -17.419 3.272 0.785 565 HD12 LEU 73 2HD1 LEU 73 -16.981 3.342 2.491 566 HD13 LEU 73 3HD1 LEU 73 -17.608 1.844 1.803 567 HD21 LEU 73 3HD2 LEU 73 -15.220 2.534 3.358 568 HD22 LEU 73 1HD2 LEU 73 -14.149 3.470 2.315 569 HD23 LEU 73 2HD2 LEU 73 -13.915 1.730 2.483 570 H SER 74 H SER 74 -15.578 -1.453 -1.123 571 HA SER 74 HA SER 74 -15.458 -3.689 0.396 572 HB2 SER 74 1HB SER 74 -16.650 -3.604 -1.741 573 HB3 SER 74 2HB SER 74 -15.116 -3.583 -2.612 574 HG SER 74 HG SER 74 -14.724 -5.659 -1.964 575 H ASN 75 H ASN 75 -12.971 -2.725 -1.963 576 HA ASN 75 HA ASN 75 -11.218 -4.864 -1.445 577 HB2 ASN 75 1HB ASN 75 -10.705 -2.096 -2.548 578 HB3 ASN 75 2HB ASN 75 -9.487 -3.368 -2.499 579 HD21 ASN 75 1HD2 ASN 75 -10.792 -1.944 -4.745 580 HD22 ASN 75 2HD2 ASN 75 -11.432 -3.189 -5.758 581 H TRP 76 H TRP 76 -10.879 -1.455 -0.441 582 HA TRP 76 HA TRP 76 -8.747 -1.537 1.186 583 HB2 TRP 76 1HB TRP 76 -11.327 -0.059 1.370 584 HB3 TRP 76 2HB TRP 76 -10.244 0.013 2.758 585 HD1 TRP 76 HD TRP 76 -10.739 1.416 -0.694 586 HE1 TRP 76 1HE TRP 76 -8.858 3.091 -1.224 587 HE3 TRP 76 3HE TRP 76 -7.634 0.420 3.243 588 HZ2 TRP 76 2HZ TRP 76 -6.385 3.885 -0.119 589 HZ3 TRP 76 3HZ TRP 76 -5.529 1.681 3.434 590 HH2 TRP 76 HH TRP 76 -4.919 3.377 1.786 591 H GLY 77 H GLY 77 -12.039 -2.361 2.300 592 HA2 GLY 77 1HA GLY 77 -11.482 -3.078 4.896 593 HA3 GLY 77 2HA GLY 77 -12.738 -3.831 3.924 594 H HIS 78 H HIS 78 -11.049 -5.034 1.985 595 HA HIS 78 HA HIS 78 -10.328 -7.403 3.413 596 HB2 HIS 78 1HB HIS 78 -11.195 -7.060 0.936 597 HB3 HIS 78 2HB HIS 78 -9.472 -6.957 0.585 598 HD1 HIS 78 1HD HIS 78 -9.688 -9.191 -0.765 599 HD2 HIS 78 2HD HIS 78 -10.501 -9.521 3.296 600 HE1 HIS 78 1HE HIS 78 -9.652 -11.656 -0.271 601 HE2 HIS 78 2HE HIS 78 -10.231 -11.836 2.174 602 H LEU 79 H LEU 79 -8.589 -4.683 2.055 603 HA LEU 79 HA LEU 79 -5.995 -5.851 2.277 604 HB2 LEU 79 1HB LEU 79 -6.693 -3.922 0.785 605 HB3 LEU 79 2HB LEU 79 -6.632 -2.912 2.228 606 HG LEU 79 HG LEU 79 -4.181 -3.830 2.394 607 HD11 LEU 79 1HD1 LEU 79 -4.953 -4.362 -0.453 608 HD12 LEU 79 2HD1 LEU 79 -4.091 -5.405 0.678 609 HD13 LEU 79 3HD1 LEU 79 -3.289 -3.989 -0.003 610 HD21 LEU 79 3HD2 LEU 79 -4.872 -1.793 0.285 611 HD22 LEU 79 1HD2 LEU 79 -3.408 -1.880 1.265 612 HD23 LEU 79 2HD2 LEU 79 -4.950 -1.475 2.019 613 H ASN 80 H ASN 80 -8.171 -4.637 4.542 614 HA ASN 80 HA ASN 80 -6.315 -3.521 6.405 615 HB2 ASN 80 1HB ASN 80 -8.721 -2.930 6.384 616 HB3 ASN 80 2HB ASN 80 -9.111 -4.570 6.892 617 HD21 ASN 80 1HD2 ASN 80 -9.986 -2.514 8.387 618 HD22 ASN 80 2HD2 ASN 80 -9.113 -2.429 9.876 619 H ARG 81 H ARG 81 -7.771 -6.692 5.927 620 HA ARG 81 HA ARG 81 -6.240 -7.734 8.206 621 HB2 ARG 81 1HB ARG 81 -8.552 -8.903 6.652 622 HB3 ARG 81 2HB ARG 81 -7.674 -9.772 7.904 623 HG2 ARG 81 1HG ARG 81 -8.286 -7.706 9.372 624 HG3 ARG 81 2HG ARG 81 -9.539 -7.462 8.153 625 HD2 ARG 81 1HD ARG 81 -10.009 -10.002 8.562 626 HD3 ARG 81 2HD ARG 81 -9.179 -9.706 10.088 627 HE ARG 81 HE ARG 81 -10.987 -8.481 10.808 628 HH11 ARG 81 1HH1 ARG 81 -11.278 -9.116 7.398 629 HH12 ARG 81 2HH1 ARG 81 -12.913 -8.552 7.300 630 HH21 ARG 81 1HH2 ARG 81 -13.140 -7.735 10.692 631 HH22 ARG 81 2HH2 ARG 81 -13.971 -7.766 9.174 632 H LYS 82 H LYS 82 -5.728 -7.230 5.069 633 HA LYS 82 HA LYS 82 -4.343 -9.793 4.636 634 HB2 LYS 82 1HB LYS 82 -5.572 -7.808 2.754 635 HB3 LYS 82 2HB LYS 82 -4.275 -8.855 2.195 636 HG2 LYS 82 1HG LYS 82 -6.755 -9.924 3.507 637 HG3 LYS 82 2HG LYS 82 -6.640 -9.641 1.769 638 HD2 LYS 82 1HD LYS 82 -5.188 -11.369 1.446 639 HD3 LYS 82 2HD LYS 82 -4.465 -11.204 3.048 640 HE2 LYS 82 1HE LYS 82 -5.624 -13.145 3.353 641 HE3 LYS 82 2HE LYS 82 -6.868 -11.987 3.819 642 HZ1 LYS 82 3HZ LYS 82 -6.846 -12.541 1.005 643 HZ2 LYS 82 1HZ LYS 82 -8.135 -12.568 2.101 644 HZ3 LYS 82 2HZ LYS 82 -7.135 -13.922 1.938 645 H VAL 83 H VAL 83 -3.953 -6.394 5.031 646 HA VAL 83 HA VAL 83 -1.058 -6.694 4.573 647 HB VAL 83 HB VAL 83 -2.799 -4.335 3.861 648 HG11 VAL 83 1HG1 VAL 83 -0.657 -3.261 3.142 649 HG12 VAL 83 2HG1 VAL 83 -0.841 -3.432 4.889 650 HG13 VAL 83 3HG1 VAL 83 0.204 -4.540 3.998 651 HG21 VAL 83 3HG2 VAL 83 -2.736 -6.108 2.192 652 HG22 VAL 83 1HG2 VAL 83 -1.874 -4.681 1.617 653 HG23 VAL 83 2HG2 VAL 83 -0.973 -6.078 2.206 654 H LEU 84 H LEU 84 -3.133 -4.098 5.848 655 HA LEU 84 HA LEU 84 -1.514 -3.073 7.752 656 HB2 LEU 84 1HB LEU 84 -4.435 -3.601 8.251 657 HB3 LEU 84 2HB LEU 84 -3.448 -2.311 8.934 658 HG LEU 84 HG LEU 84 -4.277 -2.566 6.043 659 HD11 LEU 84 1HD1 LEU 84 -5.839 -1.779 8.114 660 HD12 LEU 84 2HD1 LEU 84 -6.006 -1.199 6.458 661 HD13 LEU 84 3HD1 LEU 84 -5.105 -0.247 7.638 662 HD21 LEU 84 3HD2 LEU 84 -2.449 -0.706 7.495 663 HD22 LEU 84 1HD2 LEU 84 -3.400 -0.110 6.134 664 HD23 LEU 84 2HD2 LEU 84 -2.271 -1.445 5.903 665 H LYS 85 H LYS 85 -3.976 -5.513 8.599 666 HA LYS 85 HA LYS 85 -3.235 -6.108 11.137 667 HB2 LYS 85 1HB LYS 85 -5.143 -7.135 9.927 668 HB3 LYS 85 2HB LYS 85 -4.011 -8.166 9.061 669 HG2 LYS 85 1HG LYS 85 -3.970 -8.195 12.034 670 HG3 LYS 85 2HG LYS 85 -5.284 -9.020 11.191 671 HD2 LYS 85 1HD LYS 85 -3.617 -10.294 9.896 672 HD3 LYS 85 2HD LYS 85 -2.329 -9.501 10.806 673 HE2 LYS 85 1HE LYS 85 -3.473 -10.412 12.894 674 HE3 LYS 85 2HE LYS 85 -4.409 -11.430 11.801 675 HZ1 LYS 85 3HZ LYS 85 -1.525 -11.501 12.383 676 HZ2 LYS 85 1HZ LYS 85 -2.095 -12.082 10.900 677 HZ3 LYS 85 2HZ LYS 85 -2.639 -12.773 12.344 678 H ARG 86 H ARG 86 -1.884 -7.672 8.233 679 HA ARG 86 HA ARG 86 -0.032 -9.302 9.538 680 HB2 ARG 86 1HB ARG 86 -0.121 -8.113 6.778 681 HB3 ARG 86 2HB ARG 86 1.237 -9.104 7.296 682 HG2 ARG 86 1HG ARG 86 -1.546 -10.135 7.600 683 HG3 ARG 86 2HG ARG 86 -0.754 -10.180 6.023 684 HD2 ARG 86 1HD ARG 86 1.202 -11.285 7.281 685 HD3 ARG 86 2HD ARG 86 0.028 -11.559 8.568 686 HE ARG 86 HE ARG 86 -1.079 -12.480 6.176 687 HH11 ARG 86 1HH1 ARG 86 1.550 -13.236 8.330 688 HH12 ARG 86 2HH1 ARG 86 1.549 -14.926 7.949 689 HH21 ARG 86 1HH2 ARG 86 -1.090 -14.704 5.666 690 HH22 ARG 86 2HH2 ARG 86 0.047 -15.760 6.433 691 H LEU 87 H LEU 87 0.142 -5.929 8.590 692 HA LEU 87 HA LEU 87 2.933 -5.746 9.412 693 HB2 LEU 87 1HB LEU 87 1.016 -3.804 8.153 694 HB3 LEU 87 2HB LEU 87 2.605 -3.317 8.739 695 HG LEU 87 HG LEU 87 2.378 -5.541 6.755 696 HD11 LEU 87 1HD1 LEU 87 2.453 -3.983 4.923 697 HD12 LEU 87 2HD1 LEU 87 2.417 -2.615 6.034 698 HD13 LEU 87 3HD1 LEU 87 1.011 -3.669 5.889 699 HD21 LEU 87 3HD2 LEU 87 4.471 -3.450 6.691 700 HD22 LEU 87 1HD2 LEU 87 4.591 -5.188 6.418 701 HD23 LEU 87 2HD2 LEU 87 4.489 -4.559 8.062 702 H ASN 88 H ASN 88 0.748 -6.301 11.331 703 HA ASN 88 HA ASN 88 0.014 -5.655 13.391 704 HB2 ASN 88 1HB ASN 88 2.539 -5.805 13.668 705 HB3 ASN 88 2HB ASN 88 2.566 -4.049 13.530 706 HD21 ASN 88 1HD2 ASN 88 0.609 -6.471 15.240 707 HD22 ASN 88 2HD2 ASN 88 0.690 -5.693 16.781 708 H PHE 89 H PHE 89 -0.664 -3.932 11.089 709 HA PHE 89 HA PHE 89 -0.953 -1.335 12.438 710 HB2 PHE 89 1HB PHE 89 0.069 -1.644 10.040 711 HB3 PHE 89 2HB PHE 89 -1.618 -1.759 9.549 712 HD1 PHE 89 1HD PHE 89 0.968 0.426 10.945 713 HD2 PHE 89 2HD PHE 89 -3.065 0.156 9.612 714 HE1 PHE 89 1HE PHE 89 0.816 2.882 10.917 715 HE2 PHE 89 2HE PHE 89 -3.223 2.611 9.581 716 HZ PHE 89 HZ PHE 89 -1.281 3.977 10.233 717 H SER 90 H SER 90 -3.038 -0.170 11.901 718 HA SER 90 HA SER 90 -5.340 -1.847 11.404 719 HB2 SER 90 1HB SER 90 -6.441 -1.269 13.559 720 HB3 SER 90 2HB SER 90 -5.013 -2.282 13.774 721 HG SER 90 HG SER 90 -4.794 0.520 13.899 722 H VAL 91 H VAL 91 -7.216 -0.674 10.930 723 HA VAL 91 HA VAL 91 -7.068 2.243 11.024 724 HB VAL 91 HB VAL 91 -7.286 0.620 8.508 725 HG11 VAL 91 1HG1 VAL 91 -8.783 3.029 9.188 726 HG12 VAL 91 2HG1 VAL 91 -7.819 3.193 7.718 727 HG13 VAL 91 3HG1 VAL 91 -9.004 1.894 7.857 728 HG21 VAL 91 3HG2 VAL 91 -5.087 1.449 9.112 729 HG22 VAL 91 1HG2 VAL 91 -5.685 2.303 7.689 730 HG23 VAL 91 2HG2 VAL 91 -5.722 3.087 9.269 731 HA PRO 92 HA PRO 92 -11.284 1.614 12.217 732 HB2 PRO 92 1HB PRO 92 -12.037 4.223 12.183 733 HB3 PRO 92 2HB PRO 92 -11.043 3.526 13.469 734 HG2 PRO 92 1HG PRO 92 -10.205 5.136 11.088 735 HG3 PRO 92 2HG PRO 92 -9.650 5.251 12.768 736 HD2 PRO 92 1HD PRO 92 -8.228 3.977 10.848 737 HD3 PRO 92 2HD PRO 92 -8.211 3.463 12.547 738 H ASP 93 H ASP 93 -13.417 1.859 11.364 739 HA ASP 93 HA ASP 93 -13.523 1.713 8.514 740 HB2 ASP 93 1HB ASP 93 -15.594 1.602 10.694 741 HB3 ASP 93 2HB ASP 93 -16.060 1.632 8.996 742 H ASP 94 H ASP 94 -13.610 4.278 10.699 743 HA ASP 94 HA ASP 94 -15.329 5.999 9.139 744 HB2 ASP 94 1HB ASP 94 -13.489 6.746 11.420 745 HB3 ASP 94 2HB ASP 94 -14.833 7.694 10.789 746 H VAL 95 H VAL 95 -11.910 5.382 9.498 747 HA VAL 95 HA VAL 95 -11.076 7.719 8.048 748 HB VAL 95 HB VAL 95 -9.637 5.261 9.011 749 HG11 VAL 95 1HG1 VAL 95 -8.438 5.600 7.066 750 HG12 VAL 95 2HG1 VAL 95 -8.699 7.345 7.085 751 HG13 VAL 95 3HG1 VAL 95 -7.560 6.610 8.214 752 HG21 VAL 95 3HG2 VAL 95 -8.914 8.085 9.651 753 HG22 VAL 95 1HG2 VAL 95 -10.311 7.349 10.436 754 HG23 VAL 95 2HG2 VAL 95 -8.714 6.625 10.620 755 H MET 96 H MET 96 -12.019 4.485 7.256 756 HA MET 96 HA MET 96 -10.779 4.417 4.673 757 HB2 MET 96 1HB MET 96 -12.985 2.732 5.870 758 HB3 MET 96 2HB MET 96 -12.216 2.412 4.321 759 HG2 MET 96 1HG MET 96 -10.026 2.458 5.769 760 HG3 MET 96 2HG MET 96 -11.150 2.087 7.074 761 HE1 MET 96 3HE MET 96 -9.515 -0.695 7.111 762 HE2 MET 96 1HE MET 96 -10.849 0.155 7.890 763 HE3 MET 96 2HE MET 96 -11.120 -1.426 7.157 764 H ARG 97 H ARG 97 -14.122 4.872 5.812 765 HA ARG 97 HA ARG 97 -15.392 5.188 3.386 766 HB2 ARG 97 1HB ARG 97 -15.890 6.358 6.103 767 HB3 ARG 97 2HB ARG 97 -16.896 6.830 4.740 768 HG2 ARG 97 1HG ARG 97 -17.130 4.238 4.419 769 HG3 ARG 97 2HG ARG 97 -16.688 4.208 6.127 770 HD2 ARG 97 1HD ARG 97 -18.947 5.829 4.960 771 HD3 ARG 97 2HD ARG 97 -19.136 4.259 5.740 772 HE ARG 97 HE ARG 97 -17.800 5.890 7.537 773 HH11 ARG 97 1HH1 ARG 97 -20.890 5.807 5.935 774 HH12 ARG 97 2HH1 ARG 97 -21.722 6.625 7.215 775 HH21 ARG 97 1HH2 ARG 97 -18.884 6.969 9.229 776 HH22 ARG 97 2HH2 ARG 97 -20.580 7.286 9.088 777 H LYS 98 H LYS 98 -13.271 7.385 5.046 778 HA LYS 98 HA LYS 98 -13.982 9.684 3.471 779 HB2 LYS 98 1HB LYS 98 -11.656 9.150 5.325 780 HB3 LYS 98 2HB LYS 98 -11.956 10.696 4.543 781 HG2 LYS 98 1HG LYS 98 -13.773 11.167 5.855 782 HG3 LYS 98 2HG LYS 98 -14.125 9.466 6.169 783 HD2 LYS 98 1HD LYS 98 -12.254 9.302 7.673 784 HD3 LYS 98 2HD LYS 98 -11.728 10.937 7.262 785 HE2 LYS 98 1HE LYS 98 -12.834 11.149 9.323 786 HE3 LYS 98 2HE LYS 98 -13.996 11.709 8.121 787 HZ1 LYS 98 3HZ LYS 98 -14.042 9.292 9.768 788 HZ2 LYS 98 1HZ LYS 98 -14.706 9.194 8.215 789 HZ3 LYS 98 2HZ LYS 98 -15.310 10.321 9.323 790 H ILE 99 H ILE 99 -11.035 7.683 3.692 791 HA ILE 99 HA ILE 99 -9.564 8.734 1.651 792 HB ILE 99 HB ILE 99 -9.857 5.808 2.340 793 HG12 ILE 99 1HG1 ILE 99 -7.663 7.720 3.139 794 HG13 ILE 99 2HG1 ILE 99 -9.093 7.455 4.130 795 HG21 ILE 99 1HG2 ILE 99 -7.426 5.859 1.359 796 HG22 ILE 99 2HG2 ILE 99 -8.821 5.676 0.297 797 HG23 ILE 99 3HG2 ILE 99 -8.043 7.249 0.467 798 HD11 ILE 99 3HD1 ILE 99 -7.461 5.121 3.257 799 HD12 ILE 99 1HD1 ILE 99 -6.906 6.131 4.592 800 HD13 ILE 99 2HD1 ILE 99 -8.469 5.319 4.691 801 H ALA 100 H ALA 100 -11.858 6.025 1.277 802 HA ALA 100 HA ALA 100 -11.702 5.877 -1.518 803 HB1 ALA 100 3HB ALA 100 -13.204 4.628 0.561 804 HB2 ALA 100 1HB ALA 100 -14.299 5.084 -0.745 805 HB3 ALA 100 2HB ALA 100 -12.900 4.063 -1.082 806 H GLN 101 H GLN 101 -13.201 8.182 0.501 807 HA GLN 101 HA GLN 101 -14.992 9.095 -1.628 808 HB2 GLN 101 1HB GLN 101 -14.794 9.699 1.310 809 HB3 GLN 101 2HB GLN 101 -15.715 10.738 0.230 810 HG2 GLN 101 1HG GLN 101 -16.208 7.787 0.343 811 HG3 GLN 101 2HG GLN 101 -16.952 8.891 1.499 812 HE21 GLN 101 1HE2 GLN 101 -18.997 8.289 0.684 813 HE22 GLN 101 2HE2 GLN 101 -19.588 8.934 -0.806 814 H CYS 102 H CYS 102 -12.181 9.390 -1.981 815 HA CYS 102 HA CYS 102 -10.526 10.943 -2.336 816 HB2 CYS 102 1HB CYS 102 -13.050 12.128 -3.449 817 HB3 CYS 102 2HB CYS 102 -11.530 13.007 -3.572 818 HG CYS 102 HG CYS 102 -10.429 10.428 -4.725 819 H ALA 103 H ALA 103 -11.202 11.026 0.314 820 HA ALA 103 HA ALA 103 -11.932 13.602 1.247 821 HB1 ALA 103 3HB ALA 103 -11.028 12.800 3.425 822 HB2 ALA 103 1HB ALA 103 -12.205 11.711 2.690 823 HB3 ALA 103 2HB ALA 103 -10.484 11.336 2.606 824 HA PRO 104 HA PRO 104 -8.214 15.908 0.862 825 HB2 PRO 104 1HB PRO 104 -8.393 17.528 3.033 826 HB3 PRO 104 2HB PRO 104 -9.412 17.723 1.602 827 HG2 PRO 104 1HG PRO 104 -10.046 16.405 4.214 828 HG3 PRO 104 2HG PRO 104 -11.049 17.493 3.238 829 HD2 PRO 104 1HD PRO 104 -11.377 14.806 3.224 830 HD3 PRO 104 2HD PRO 104 -11.691 15.813 1.797 831 H GLY 105 H GLY 105 -6.263 15.041 1.195 832 HA2 GLY 105 1HA GLY 105 -4.605 13.800 2.261 833 HA3 GLY 105 2HA GLY 105 -4.682 15.186 3.338 834 H VAL 106 H VAL 106 -5.907 11.924 2.794 835 HA VAL 106 HA VAL 106 -6.294 11.680 5.703 836 HB VAL 106 HB VAL 106 -8.134 10.750 3.512 837 HG11 VAL 106 1HG1 VAL 106 -8.040 9.769 6.362 838 HG12 VAL 106 2HG1 VAL 106 -9.353 9.458 5.225 839 HG13 VAL 106 3HG1 VAL 106 -7.740 8.816 4.909 840 HG21 VAL 106 3HG2 VAL 106 -8.953 12.765 4.204 841 HG22 VAL 106 1HG2 VAL 106 -9.740 11.716 5.384 842 HG23 VAL 106 2HG2 VAL 106 -8.283 12.606 5.828 843 H VAL 107 H VAL 107 -5.908 9.880 2.658 844 HA VAL 107 HA VAL 107 -5.073 7.472 3.941 845 HB VAL 107 HB VAL 107 -6.102 7.505 1.689 846 HG11 VAL 107 1HG1 VAL 107 -4.049 7.978 -0.058 847 HG12 VAL 107 2HG1 VAL 107 -5.358 9.104 0.309 848 HG13 VAL 107 3HG1 VAL 107 -3.813 9.240 1.150 849 HG21 VAL 107 3HG2 VAL 107 -4.706 5.790 0.730 850 HG22 VAL 107 1HG2 VAL 107 -3.324 6.330 1.684 851 HG23 VAL 107 2HG2 VAL 107 -4.719 5.605 2.484 852 H GLU 108 H GLU 108 -3.489 10.379 3.012 853 HA GLU 108 HA GLU 108 -0.870 9.418 2.633 854 HB2 GLU 108 1HB GLU 108 -1.896 11.771 2.181 855 HB3 GLU 108 2HB GLU 108 -1.432 12.104 3.844 856 HG2 GLU 108 1HG GLU 108 0.578 10.985 1.946 857 HG3 GLU 108 2HG GLU 108 0.173 12.700 1.889 858 H LEU 109 H LEU 109 -2.554 10.586 5.525 859 HA LEU 109 HA LEU 109 -0.421 10.499 7.314 860 HB2 LEU 109 1HB LEU 109 -3.341 9.947 7.822 861 HB3 LEU 109 2HB LEU 109 -2.139 10.265 9.071 862 HG LEU 109 HG LEU 109 -2.839 12.245 6.912 863 HD11 LEU 109 1HD1 LEU 109 -4.798 11.629 8.351 864 HD12 LEU 109 2HD1 LEU 109 -4.316 13.324 8.427 865 HD13 LEU 109 3HD1 LEU 109 -3.881 12.225 9.735 866 HD21 LEU 109 3HD2 LEU 109 -0.713 12.698 7.879 867 HD22 LEU 109 1HD2 LEU 109 -1.323 12.410 9.509 868 HD23 LEU 109 2HD2 LEU 109 -1.864 13.823 8.602 869 H VAL 110 H VAL 110 -2.174 7.943 5.832 870 HA VAL 110 HA VAL 110 -1.304 5.966 7.790 871 HB VAL 110 HB VAL 110 -2.806 5.468 5.221 872 HG11 VAL 110 1HG1 VAL 110 -2.132 3.841 7.632 873 HG12 VAL 110 2HG1 VAL 110 -3.613 3.503 6.736 874 HG13 VAL 110 3HG1 VAL 110 -2.050 3.407 5.925 875 HG21 VAL 110 3HG2 VAL 110 -4.822 5.847 6.257 876 HG22 VAL 110 1HG2 VAL 110 -4.163 5.589 7.872 877 HG23 VAL 110 2HG2 VAL 110 -3.827 7.092 7.013 878 H LEU 111 H LEU 111 -0.331 7.274 4.770 879 HA LEU 111 HA LEU 111 1.176 5.017 3.864 880 HB2 LEU 111 1HB LEU 111 1.205 7.925 3.088 881 HB3 LEU 111 2HB LEU 111 2.203 6.700 2.308 882 HG LEU 111 HG LEU 111 -0.815 6.739 2.338 883 HD11 LEU 111 1HD1 LEU 111 0.955 7.185 -0.040 884 HD12 LEU 111 2HD1 LEU 111 0.434 8.521 0.985 885 HD13 LEU 111 3HD1 LEU 111 -0.763 7.535 0.146 886 HD21 LEU 111 3HD2 LEU 111 1.214 4.866 1.163 887 HD22 LEU 111 1HD2 LEU 111 -0.411 5.012 0.493 888 HD23 LEU 111 2HD2 LEU 111 -0.190 4.493 2.164 889 H ILE 112 H ILE 112 1.997 8.085 5.453 890 HA ILE 112 HA ILE 112 4.715 7.987 5.527 891 HB ILE 112 HB ILE 112 2.683 9.016 7.427 892 HG12 ILE 112 1HG1 ILE 112 5.151 10.424 6.464 893 HG13 ILE 112 2HG1 ILE 112 3.806 10.159 5.360 894 HG21 ILE 112 1HG2 ILE 112 4.631 9.810 8.896 895 HG22 ILE 112 2HG2 ILE 112 4.075 8.148 9.085 896 HG23 ILE 112 3HG2 ILE 112 5.540 8.488 8.165 897 HD11 ILE 112 3HD1 ILE 112 3.493 12.305 6.235 898 HD12 ILE 112 1HD1 ILE 112 2.351 11.282 7.105 899 HD13 ILE 112 2HD1 ILE 112 3.856 11.781 7.879 900 HA PRO 113 HA PRO 113 4.686 5.137 9.431 901 HB2 PRO 113 1HB PRO 113 2.327 3.973 10.103 902 HB3 PRO 113 2HB PRO 113 2.833 5.548 10.726 903 HG2 PRO 113 1HG PRO 113 0.960 4.913 8.479 904 HG3 PRO 113 2HG PRO 113 0.799 6.129 9.760 905 HD2 PRO 113 1HD PRO 113 1.612 6.752 7.254 906 HD3 PRO 113 2HD PRO 113 2.189 7.624 8.689 907 H LEU 114 H LEU 114 2.612 4.352 6.715 908 HA LEU 114 HA LEU 114 2.648 1.589 6.770 909 HB2 LEU 114 1HB LEU 114 1.360 2.981 5.185 910 HB3 LEU 114 2HB LEU 114 2.856 3.339 4.324 911 HG LEU 114 HG LEU 114 2.951 0.695 4.143 912 HD11 LEU 114 1HD1 LEU 114 1.024 -0.437 4.380 913 HD12 LEU 114 2HD1 LEU 114 0.041 0.899 3.782 914 HD13 LEU 114 3HD1 LEU 114 0.597 0.894 5.455 915 HD21 LEU 114 3HD2 LEU 114 1.063 1.523 2.167 916 HD22 LEU 114 1HD2 LEU 114 2.797 1.247 2.001 917 HD23 LEU 114 2HD2 LEU 114 2.199 2.838 2.471 918 H ARG 115 H ARG 115 5.020 3.780 5.280 919 HA ARG 115 HA ARG 115 6.734 1.734 4.345 920 HB2 ARG 115 1HB ARG 115 8.118 3.423 3.627 921 HB3 ARG 115 2HB ARG 115 6.604 4.305 3.779 922 HG2 ARG 115 1HG ARG 115 7.384 4.926 6.119 923 HG3 ARG 115 2HG ARG 115 8.969 4.330 5.622 924 HD2 ARG 115 1HD ARG 115 8.959 5.912 3.745 925 HD3 ARG 115 2HD ARG 115 7.388 6.515 4.271 926 HE ARG 115 HE ARG 115 9.254 6.700 6.382 927 HH11 ARG 115 1HH1 ARG 115 8.435 8.167 3.333 928 HH12 ARG 115 2HH1 ARG 115 9.087 9.716 3.755 929 HH21 ARG 115 1HH2 ARG 115 10.116 8.734 6.950 930 HH22 ARG 115 2HH2 ARG 115 10.044 10.037 5.812 931 H GLN 116 H GLN 116 6.663 3.639 7.321 932 HA GLN 116 HA GLN 116 9.081 2.929 8.441 933 HB2 GLN 116 1HB GLN 116 6.405 3.598 9.604 934 HB3 GLN 116 2HB GLN 116 7.698 3.062 10.669 935 HG2 GLN 116 1HG GLN 116 8.290 5.238 8.740 936 HG3 GLN 116 2HG GLN 116 7.288 5.611 10.141 937 HE21 GLN 116 1HE2 GLN 116 8.379 6.376 11.789 938 HE22 GLN 116 2HE2 GLN 116 10.008 5.983 12.212 939 H ARG 117 H ARG 117 6.129 1.059 8.196 940 HA ARG 117 HA ARG 117 7.100 -1.044 9.923 941 HB2 ARG 117 1HB ARG 117 4.640 -0.748 8.204 942 HB3 ARG 117 2HB ARG 117 5.008 -2.227 9.080 943 HG2 ARG 117 1HG ARG 117 4.789 0.446 10.431 944 HG3 ARG 117 2HG ARG 117 3.409 -0.628 10.195 945 HD2 ARG 117 1HD ARG 117 5.947 -1.302 11.679 946 HD3 ARG 117 2HD ARG 117 4.395 -0.906 12.416 947 HE ARG 117 HE ARG 117 3.960 -3.042 10.699 948 HH11 ARG 117 1HH1 ARG 117 5.788 -2.367 13.584 949 HH12 ARG 117 2HH1 ARG 117 5.717 -3.997 14.167 950 HH21 ARG 117 1HH2 ARG 117 3.860 -5.192 11.456 951 HH22 ARG 117 2HH2 ARG 117 4.622 -5.603 12.955 952 H LEU 118 H LEU 118 6.208 -0.856 6.472 953 HA LEU 118 HA LEU 118 6.946 -3.299 5.576 954 HB2 LEU 118 1HB LEU 118 7.296 -0.595 4.333 955 HB3 LEU 118 2HB LEU 118 7.779 -2.058 3.478 956 HG LEU 118 HG LEU 118 4.984 -1.566 4.491 957 HD11 LEU 118 1HD1 LEU 118 4.798 -0.058 2.862 958 HD12 LEU 118 2HD1 LEU 118 4.922 -1.414 1.741 959 HD13 LEU 118 3HD1 LEU 118 6.362 -0.490 2.170 960 HD21 LEU 118 3HD2 LEU 118 6.045 -3.917 3.882 961 HD22 LEU 118 1HD2 LEU 118 5.662 -3.384 2.245 962 HD23 LEU 118 2HD2 LEU 118 4.384 -3.503 3.455 963 H GLU 119 H GLU 119 9.126 -0.632 6.348 964 HA GLU 119 HA GLU 119 11.477 -2.041 5.491 965 HB2 GLU 119 1HB GLU 119 11.094 0.483 7.105 966 HB3 GLU 119 2HB GLU 119 12.671 -0.152 6.658 967 HG2 GLU 119 1HG GLU 119 11.786 -0.062 4.245 968 HG3 GLU 119 2HG GLU 119 10.541 0.997 4.902 969 H GLU 120 H GLU 120 9.742 -1.591 8.497 970 HA GLU 120 HA GLU 120 11.738 -2.474 10.272 971 HB2 GLU 120 1HB GLU 120 9.400 -1.368 10.706 972 HB3 GLU 120 2HB GLU 120 8.840 -3.033 10.776 973 HG2 GLU 120 1HG GLU 120 9.275 -2.473 12.990 974 HG3 GLU 120 2HG GLU 120 10.685 -3.405 12.492 975 H ARG 121 H ARG 121 9.679 -4.171 8.080 976 HA ARG 121 HA ARG 121 10.371 -6.744 9.315 977 HB2 ARG 121 1HB ARG 121 8.227 -5.914 7.373 978 HB3 ARG 121 2HB ARG 121 8.658 -7.605 7.596 979 HG2 ARG 121 1HG ARG 121 8.141 -7.377 10.004 980 HG3 ARG 121 2HG ARG 121 7.607 -5.723 9.697 981 HD2 ARG 121 1HD ARG 121 5.726 -6.395 8.567 982 HD3 ARG 121 2HD ARG 121 6.444 -7.926 8.067 983 HE ARG 121 HE ARG 121 4.973 -7.408 10.476 984 HH11 ARG 121 1HH1 ARG 121 7.392 -9.423 8.989 985 HH12 ARG 121 2HH1 ARG 121 7.120 -10.761 10.055 986 HH21 ARG 121 1HH2 ARG 121 4.606 -9.164 11.886 987 HH22 ARG 121 2HH2 ARG 121 5.534 -10.613 11.702 988 H GLN 122 H GLN 122 10.869 -4.772 6.505 989 HA GLN 122 HA GLN 122 11.701 -6.638 4.631 990 HB2 GLN 122 1HB GLN 122 11.389 -4.254 4.131 991 HB3 GLN 122 2HB GLN 122 12.806 -3.862 5.096 992 HG2 GLN 122 1HG GLN 122 14.157 -5.266 3.533 993 HG3 GLN 122 2HG GLN 122 12.722 -5.406 2.519 994 HE21 GLN 122 1HE2 GLN 122 15.392 -4.142 2.102 995 HE22 GLN 122 2HE2 GLN 122 15.042 -2.526 1.600 996 H ARG 123 H ARG 123 13.850 -4.740 6.759 997 HA ARG 123 HA ARG 123 16.182 -6.160 6.189 998 HB2 ARG 123 1HB ARG 123 17.134 -5.118 8.136 999 HB3 ARG 123 2HB ARG 123 16.071 -3.957 7.352 1000 HG2 ARG 123 1HG ARG 123 14.301 -4.812 9.037 1001 HG3 ARG 123 2HG ARG 123 15.698 -5.422 9.926 1002 HD2 ARG 123 1HD ARG 123 15.549 -2.577 8.982 1003 HD3 ARG 123 2HD ARG 123 14.822 -3.081 10.507 1004 HE ARG 123 HE ARG 123 17.642 -2.830 9.915 1005 HH11 ARG 123 1HH1 ARG 123 15.217 -4.141 12.041 1006 HH12 ARG 123 2HH1 ARG 123 16.301 -4.316 13.382 1007 HH21 ARG 123 1HH2 ARG 123 19.079 -3.056 11.673 1008 HH22 ARG 123 2HH2 ARG 123 18.497 -3.698 13.171 1009 H ARG 124 H ARG 124 13.784 -6.641 8.755 1010 HA ARG 124 HA ARG 124 15.034 -8.621 10.219 1011 HB2 ARG 124 1HB ARG 124 12.181 -7.937 9.673 1012 HB3 ARG 124 2HB ARG 124 12.534 -9.457 10.485 1013 HG2 ARG 124 1HG ARG 124 13.640 -8.311 12.278 1014 HG3 ARG 124 2HG ARG 124 13.495 -6.768 11.433 1015 HD2 ARG 124 1HD ARG 124 11.759 -6.719 12.990 1016 HD3 ARG 124 2HD ARG 124 10.968 -7.200 11.490 1017 HE ARG 124 HE ARG 124 10.391 -9.153 12.506 1018 HH11 ARG 124 1HH1 ARG 124 13.148 -7.824 14.165 1019 HH12 ARG 124 2HH1 ARG 124 13.165 -9.048 15.391 1020 HH21 ARG 124 1HH2 ARG 124 10.403 -10.771 14.114 1021 HH22 ARG 124 2HH2 ARG 124 11.604 -10.724 15.360 1022 H ARG 125 H ARG 125 15.931 -10.436 9.510 1023 HA ARG 125 HA ARG 125 14.807 -11.798 7.181 1024 HB2 ARG 125 1HB ARG 125 17.309 -11.254 7.499 1025 HB3 ARG 125 2HB ARG 125 17.316 -12.596 8.635 1026 HG2 ARG 125 1HG ARG 125 16.766 -14.154 6.948 1027 HG3 ARG 125 2HG ARG 125 16.362 -12.874 5.801 1028 HD2 ARG 125 1HD ARG 125 18.807 -12.140 6.072 1029 HD3 ARG 125 2HD ARG 125 19.061 -13.726 6.799 1030 HE ARG 125 HE ARG 125 17.756 -13.802 4.234 1031 HH11 ARG 125 1HH1 ARG 125 20.806 -13.767 5.912 1032 HH12 ARG 125 2HH1 ARG 125 21.678 -14.513 4.614 1033 HH21 ARG 125 1HH2 ARG 125 18.893 -14.784 2.517 1034 HH22 ARG 125 2HH2 ARG 125 20.589 -15.090 2.683 1035 H LYS 126 H LYS 126 13.027 -12.875 7.954 1036 HA LYS 126 HA LYS 126 13.445 -14.770 10.161 1037 HB2 LYS 126 1HB LYS 126 11.073 -13.310 9.108 1038 HB3 LYS 126 2HB LYS 126 10.806 -14.901 9.807 1039 HG2 LYS 126 1HG LYS 126 12.294 -13.866 11.751 1040 HG3 LYS 126 2HG LYS 126 11.620 -12.368 11.102 1041 HD2 LYS 126 1HD LYS 126 9.983 -12.885 12.603 1042 HD3 LYS 126 2HD LYS 126 9.374 -13.777 11.207 1043 HE2 LYS 126 1HE LYS 126 9.248 -15.265 13.036 1044 HE3 LYS 126 2HE LYS 126 10.649 -15.773 12.094 1045 HZ1 LYS 126 3HZ LYS 126 10.717 -15.416 14.717 1046 HZ2 LYS 126 1HZ LYS 126 11.156 -13.859 14.223 1047 HZ3 LYS 126 2HZ LYS 126 12.069 -15.193 13.726 1048 H GLN 127 H GLN 127 12.533 -16.919 9.965 1049 HA GLN 127 HA GLN 127 13.184 -18.130 7.475 1050 HB2 GLN 127 1HB GLN 127 12.467 -20.222 8.540 1051 HB3 GLN 127 2HB GLN 127 13.535 -19.299 9.589 1052 HG2 GLN 127 1HG GLN 127 11.752 -18.629 10.980 1053 HG3 GLN 127 2HG GLN 127 10.545 -19.185 9.821 1054 HE21 GLN 127 1HE2 GLN 127 9.732 -20.283 11.771 1055 HE22 GLN 127 2HE2 GLN 127 10.368 -21.843 12.155 Start of MODEL 14 1 H1 GLY 1 H GLY 1 12.599 25.282 -6.439 2 HA2 GLY 1 1HA GLY 1 14.883 24.329 -5.858 3 HA3 GLY 1 2HA GLY 1 15.033 25.752 -4.838 4 H SER 2 H SER 2 15.336 24.351 -3.034 5 HA SER 2 HA SER 2 12.798 23.251 -2.024 6 HB2 SER 2 1HB SER 2 15.547 22.010 -1.913 7 HB3 SER 2 2HB SER 2 14.245 21.515 -0.832 8 HG SER 2 HG SER 2 13.061 21.352 -3.017 9 H SER 3 H SER 3 12.333 23.628 0.102 10 HA SER 3 HA SER 3 14.102 25.527 1.471 11 HB2 SER 3 1HB SER 3 12.235 26.425 2.512 12 HB3 SER 3 2HB SER 3 11.546 25.909 0.973 13 HG SER 3 HG SER 3 10.665 24.144 1.960 14 H GLY 4 H GLY 4 13.927 25.367 3.961 15 HA2 GLY 4 1HA GLY 4 14.728 22.653 4.659 16 HA3 GLY 4 2HA GLY 4 14.957 24.092 5.641 17 H SER 5 H SER 5 13.652 24.370 7.330 18 HA SER 5 HA SER 5 11.978 24.040 8.834 19 HB2 SER 5 1HB SER 5 10.554 23.735 6.216 20 HB3 SER 5 2HB SER 5 9.694 23.370 7.712 21 HG SER 5 HG SER 5 9.766 25.661 6.759 22 H SER 6 H SER 6 13.743 21.926 8.490 23 HA SER 6 HA SER 6 12.017 19.550 8.695 24 HB2 SER 6 1HB SER 6 14.925 19.854 7.947 25 HB3 SER 6 2HB SER 6 14.219 18.295 8.373 26 HG SER 6 HG SER 6 12.931 19.865 6.449 27 H GLY 7 H GLY 7 11.458 20.058 10.884 28 HA2 GLY 7 1HA GLY 7 12.096 18.829 12.970 29 HA3 GLY 7 2HA GLY 7 13.669 19.592 12.789 30 H MET 8 H MET 8 12.775 22.172 12.036 31 HA MET 8 HA MET 8 12.217 23.243 14.625 32 HB2 MET 8 1HB MET 8 12.237 25.433 13.459 33 HB3 MET 8 2HB MET 8 13.664 24.461 13.122 34 HG2 MET 8 1HG MET 8 13.062 24.078 10.942 35 HG3 MET 8 2HG MET 8 11.347 24.329 11.260 36 HE1 MET 8 3HE MET 8 10.554 26.579 12.275 37 HE2 MET 8 1HE MET 8 10.942 28.103 11.476 38 HE3 MET 8 2HE MET 8 10.171 26.803 10.567 39 H ALA 9 H ALA 9 10.242 21.892 12.338 40 HA ALA 9 HA ALA 9 7.919 23.426 13.309 41 HB1 ALA 9 3HB ALA 9 7.211 22.262 10.854 42 HB2 ALA 9 1HB ALA 9 7.445 23.973 11.213 43 HB3 ALA 9 2HB ALA 9 8.792 23.005 10.612 44 H SER 10 H SER 10 6.399 22.267 14.301 45 HA SER 10 HA SER 10 6.655 19.357 14.310 46 HB2 SER 10 1HB SER 10 6.525 20.601 16.469 47 HB3 SER 10 2HB SER 10 4.895 21.116 16.036 48 HG SER 10 HG SER 10 4.235 19.283 16.790 49 H SER 11 H SER 11 4.066 21.788 14.001 50 HA SER 11 HA SER 11 2.037 20.017 13.244 51 HB2 SER 11 1HB SER 11 2.293 22.902 12.368 52 HB3 SER 11 2HB SER 11 0.809 21.961 12.512 53 HG SER 11 HG SER 11 1.673 21.752 14.842 54 H VAL 12 H VAL 12 1.915 18.758 11.520 55 HA VAL 12 HA VAL 12 3.636 18.735 9.362 56 HB VAL 12 HB VAL 12 0.769 17.783 9.418 57 HG11 VAL 12 1HG1 VAL 12 2.964 16.810 7.608 58 HG12 VAL 12 2HG1 VAL 12 1.235 16.472 7.512 59 HG13 VAL 12 3HG1 VAL 12 1.841 18.086 7.140 60 HG21 VAL 12 3HG2 VAL 12 2.667 15.676 9.551 61 HG22 VAL 12 1HG2 VAL 12 3.087 16.870 10.779 62 HG23 VAL 12 2HG2 VAL 12 1.474 16.157 10.757 63 H ASP 13 H ASP 13 3.617 19.554 7.297 64 HA ASP 13 HA ASP 13 1.448 21.351 6.519 65 HB2 ASP 13 1HB ASP 13 2.835 23.218 6.106 66 HB3 ASP 13 2HB ASP 13 3.310 22.643 7.701 67 H GLU 14 H GLU 14 2.031 22.257 4.206 68 HA GLU 14 HA GLU 14 1.950 20.157 2.419 69 HB2 GLU 14 1HB GLU 14 3.023 22.918 1.820 70 HB3 GLU 14 2HB GLU 14 2.341 21.783 0.664 71 HG2 GLU 14 1HG GLU 14 0.204 21.928 2.054 72 HG3 GLU 14 2HG GLU 14 0.940 23.346 2.799 73 H GLU 15 H GLU 15 4.738 21.874 3.687 74 HA GLU 15 HA GLU 15 6.674 20.898 1.903 75 HB2 GLU 15 1HB GLU 15 7.294 22.722 3.275 76 HB3 GLU 15 2HB GLU 15 6.825 21.880 4.745 77 HG2 GLU 15 1HG GLU 15 9.148 21.831 4.769 78 HG3 GLU 15 2HG GLU 15 8.688 20.231 4.191 79 H ALA 16 H ALA 16 5.598 19.667 5.058 80 HA ALA 16 HA ALA 16 7.339 17.476 5.202 81 HB1 ALA 16 3HB ALA 16 4.581 17.344 6.344 82 HB2 ALA 16 1HB ALA 16 6.104 16.769 7.022 83 HB3 ALA 16 2HB ALA 16 5.751 18.497 6.985 84 H LEU 17 H LEU 17 3.952 17.600 4.094 85 HA LEU 17 HA LEU 17 3.549 14.986 3.410 86 HB2 LEU 17 1HB LEU 17 2.674 17.360 1.773 87 HB3 LEU 17 2HB LEU 17 1.943 15.757 1.763 88 HG LEU 17 HG LEU 17 1.995 17.521 4.203 89 HD11 LEU 17 1HD1 LEU 17 0.718 18.265 1.964 90 HD12 LEU 17 2HD1 LEU 17 0.102 18.582 3.586 91 HD13 LEU 17 3HD1 LEU 17 -0.504 17.205 2.666 92 HD21 LEU 17 3HD2 LEU 17 0.305 16.050 5.031 93 HD22 LEU 17 1HD2 LEU 17 1.657 15.062 4.477 94 HD23 LEU 17 2HD2 LEU 17 0.205 15.205 3.485 95 H HIS 18 H HIS 18 4.831 17.485 1.209 96 HA HIS 18 HA HIS 18 5.312 16.107 -1.049 97 HB2 HIS 18 1HB HIS 18 5.953 18.461 -0.730 98 HB3 HIS 18 2HB HIS 18 7.306 17.957 0.278 99 HD1 HIS 18 1HD HIS 18 9.367 18.323 -1.030 100 HD2 HIS 18 2HD HIS 18 6.317 16.751 -3.371 101 HE1 HIS 18 1HE HIS 18 10.384 17.955 -3.300 102 HE2 HIS 18 2HE HIS 18 8.497 17.084 -4.723 103 H GLN 19 H GLN 19 7.501 16.095 1.760 104 HA GLN 19 HA GLN 19 9.503 14.476 0.859 105 HB2 GLN 19 1HB GLN 19 8.225 14.401 3.598 106 HB3 GLN 19 2HB GLN 19 9.802 13.734 3.200 107 HG2 GLN 19 1HG GLN 19 9.281 16.597 2.602 108 HG3 GLN 19 2HG GLN 19 9.548 16.114 4.277 109 HE21 GLN 19 1HE2 GLN 19 11.106 17.595 2.059 110 HE22 GLN 19 2HE2 GLN 19 12.689 16.914 2.177 111 H LEU 20 H LEU 20 6.352 13.453 2.106 112 HA LEU 20 HA LEU 20 6.868 10.672 1.970 113 HB2 LEU 20 1HB LEU 20 5.102 11.360 3.362 114 HB3 LEU 20 2HB LEU 20 4.355 12.310 2.079 115 HG LEU 20 HG LEU 20 3.820 10.156 0.916 116 HD11 LEU 20 1HD1 LEU 20 5.550 8.815 2.095 117 HD12 LEU 20 2HD1 LEU 20 3.942 8.091 2.122 118 HD13 LEU 20 3HD1 LEU 20 4.565 8.909 3.555 119 HD21 LEU 20 3HD2 LEU 20 2.403 11.513 2.721 120 HD22 LEU 20 1HD2 LEU 20 2.539 9.978 3.579 121 HD23 LEU 20 2HD2 LEU 20 1.816 10.028 1.971 122 H TYR 21 H TYR 21 5.580 13.008 -0.318 123 HA TYR 21 HA TYR 21 4.628 11.187 -2.242 124 HB2 TYR 21 1HB TYR 21 5.477 14.063 -2.328 125 HB3 TYR 21 2HB TYR 21 5.096 13.213 -3.821 126 HD1 TYR 21 1HD TYR 21 3.617 13.651 -0.410 127 HD2 TYR 21 2HD TYR 21 2.945 13.439 -4.606 128 HE1 TYR 21 1HE TYR 21 1.226 14.093 -0.043 129 HE2 TYR 21 2HE TYR 21 0.551 13.881 -4.250 130 HH TYR 21 HH TYR 21 -0.759 15.204 -1.985 131 H LEU 22 H LEU 22 7.684 13.028 -2.184 132 HA LEU 22 HA LEU 22 8.918 12.074 -4.408 133 HB2 LEU 22 1HB LEU 22 10.134 12.558 -1.695 134 HB3 LEU 22 2HB LEU 22 11.071 12.320 -3.168 135 HG LEU 22 HG LEU 22 9.071 14.548 -2.885 136 HD11 LEU 22 1HD1 LEU 22 10.638 15.967 -1.978 137 HD12 LEU 22 2HD1 LEU 22 11.999 14.969 -2.490 138 HD13 LEU 22 3HD1 LEU 22 10.997 14.463 -1.129 139 HD21 LEU 22 3HD2 LEU 22 10.034 13.730 -5.131 140 HD22 LEU 22 1HD2 LEU 22 11.535 14.480 -4.589 141 HD23 LEU 22 2HD2 LEU 22 10.079 15.457 -4.774 142 H TRP 23 H TRP 23 9.112 10.537 -1.195 143 HA TRP 23 HA TRP 23 10.645 8.372 -1.669 144 HB2 TRP 23 1HB TRP 23 9.845 8.431 0.495 145 HB3 TRP 23 2HB TRP 23 8.188 8.743 -0.013 146 HD1 TRP 23 HD TRP 23 10.690 5.773 -0.271 147 HE1 TRP 23 1HE TRP 23 9.368 3.599 0.122 148 HE3 TRP 23 3HE TRP 23 6.013 7.758 0.294 149 HZ2 TRP 23 2HZ TRP 23 6.697 2.828 0.606 150 HZ3 TRP 23 3HZ TRP 23 4.128 6.234 0.719 151 HH2 TRP 23 HH TRP 23 4.465 3.821 0.871 152 H VAL 24 H VAL 24 7.323 8.806 -2.751 153 HA VAL 24 HA VAL 24 7.058 6.149 -3.791 154 HB VAL 24 HB VAL 24 5.418 8.619 -4.376 155 HG11 VAL 24 1HG1 VAL 24 4.738 7.289 -6.082 156 HG12 VAL 24 2HG1 VAL 24 5.240 5.804 -5.271 157 HG13 VAL 24 3HG1 VAL 24 3.731 6.594 -4.811 158 HG21 VAL 24 3HG2 VAL 24 4.122 8.162 -2.567 159 HG22 VAL 24 1HG2 VAL 24 4.413 6.425 -2.660 160 HG23 VAL 24 2HG2 VAL 24 5.638 7.488 -1.969 161 H ASP 25 H ASP 25 7.761 9.332 -5.175 162 HA ASP 25 HA ASP 25 7.717 8.712 -7.868 163 HB2 ASP 25 1HB ASP 25 8.785 10.720 -8.217 164 HB3 ASP 25 2HB ASP 25 8.224 10.958 -6.564 165 H ASN 26 H ASN 26 10.087 7.892 -5.452 166 HA ASN 26 HA ASN 26 12.130 7.128 -7.315 167 HB2 ASN 26 1HB ASN 26 12.430 7.846 -4.859 168 HB3 ASN 26 2HB ASN 26 11.958 6.198 -4.455 169 HD21 ASN 26 1HD2 ASN 26 13.187 4.520 -5.841 170 HD22 ASN 26 2HD2 ASN 26 14.896 4.758 -5.930 171 H ILE 27 H ILE 27 9.774 5.386 -5.310 172 HA ILE 27 HA ILE 27 10.526 2.785 -5.980 173 HB ILE 27 HB ILE 27 7.772 3.833 -5.319 174 HG12 ILE 27 1HG1 ILE 27 9.818 2.471 -3.555 175 HG13 ILE 27 2HG1 ILE 27 9.546 4.210 -3.602 176 HG21 ILE 27 1HG2 ILE 27 7.065 1.623 -4.945 177 HG22 ILE 27 2HG2 ILE 27 7.906 1.582 -6.494 178 HG23 ILE 27 3HG2 ILE 27 8.710 0.994 -5.039 179 HD11 ILE 27 3HD1 ILE 27 7.242 2.414 -3.051 180 HD12 ILE 27 1HD1 ILE 27 8.424 2.713 -1.777 181 HD13 ILE 27 2HD1 ILE 27 7.549 4.062 -2.503 182 HA PRO 28 HA PRO 28 9.403 2.508 -10.247 183 HB2 PRO 28 1HB PRO 28 9.505 -0.197 -10.465 184 HB3 PRO 28 2HB PRO 28 10.952 0.815 -10.375 185 HG2 PRO 28 1HG PRO 28 9.604 -0.760 -8.215 186 HG3 PRO 28 2HG PRO 28 11.334 -0.601 -8.571 187 HD2 PRO 28 1HD PRO 28 10.119 0.794 -6.593 188 HD3 PRO 28 2HD PRO 28 11.492 1.441 -7.513 189 H LEU 29 H LEU 29 7.316 3.041 -10.620 190 HA LEU 29 HA LEU 29 5.296 0.958 -10.147 191 HB2 LEU 29 1HB LEU 29 5.037 3.909 -9.613 192 HB3 LEU 29 2HB LEU 29 3.660 2.813 -9.710 193 HG LEU 29 HG LEU 29 5.856 2.251 -7.763 194 HD11 LEU 29 1HD1 LEU 29 5.062 3.726 -6.163 195 HD12 LEU 29 2HD1 LEU 29 3.537 3.985 -7.009 196 HD13 LEU 29 3HD1 LEU 29 5.025 4.694 -7.637 197 HD21 LEU 29 3HD2 LEU 29 2.916 1.897 -7.355 198 HD22 LEU 29 1HD2 LEU 29 4.262 0.993 -6.660 199 HD23 LEU 29 2HD2 LEU 29 3.818 0.753 -8.350 200 H SER 30 H SER 30 4.387 0.353 -11.987 201 HA SER 30 HA SER 30 4.888 1.416 -14.478 202 HB2 SER 30 1HB SER 30 3.835 -0.828 -13.937 203 HB3 SER 30 2HB SER 30 2.303 0.026 -13.757 204 HG SER 30 HG SER 30 3.873 0.266 -16.093 205 H ARG 31 H ARG 31 2.633 2.485 -12.084 206 HA ARG 31 HA ARG 31 0.694 3.811 -13.465 207 HB2 ARG 31 1HB ARG 31 0.875 3.728 -10.995 208 HB3 ARG 31 2HB ARG 31 2.176 4.908 -11.070 209 HG2 ARG 31 1HG ARG 31 0.363 6.310 -12.375 210 HG3 ARG 31 2HG ARG 31 -0.741 5.268 -11.475 211 HD2 ARG 31 1HD ARG 31 -0.303 7.342 -10.266 212 HD3 ARG 31 2HD ARG 31 0.314 5.947 -9.382 213 HE ARG 31 HE ARG 31 2.241 7.287 -11.072 214 HH11 ARG 31 1HH1 ARG 31 0.836 7.019 -7.898 215 HH12 ARG 31 2HH1 ARG 31 2.193 7.736 -7.095 216 HH21 ARG 31 1HH2 ARG 31 4.034 8.232 -10.026 217 HH22 ARG 31 2HH2 ARG 31 4.011 8.426 -8.306 218 HA PRO 32 HA PRO 32 2.795 6.754 -16.002 219 HB2 PRO 32 1HB PRO 32 0.644 8.280 -16.645 220 HB3 PRO 32 2HB PRO 32 0.932 6.683 -17.345 221 HG2 PRO 32 1HG PRO 32 -0.881 7.465 -15.095 222 HG3 PRO 32 2HG PRO 32 -1.185 6.354 -16.442 223 HD2 PRO 32 1HD PRO 32 -0.527 5.490 -13.962 224 HD3 PRO 32 2HD PRO 32 -0.049 4.620 -15.434 225 H LYS 33 H LYS 33 2.161 9.382 -16.290 226 HA LYS 33 HA LYS 33 3.034 10.482 -13.740 227 HB2 LYS 33 1HB LYS 33 2.820 11.689 -16.501 228 HB3 LYS 33 2HB LYS 33 3.365 12.577 -15.084 229 HG2 LYS 33 1HG LYS 33 5.350 11.944 -16.061 230 HG3 LYS 33 2HG LYS 33 5.105 10.670 -14.865 231 HD2 LYS 33 1HD LYS 33 5.812 9.813 -17.082 232 HD3 LYS 33 2HD LYS 33 4.250 9.180 -16.556 233 HE2 LYS 33 1HE LYS 33 3.091 10.335 -18.150 234 HE3 LYS 33 2HE LYS 33 4.265 11.649 -18.208 235 HZ1 LYS 33 3HZ LYS 33 4.328 9.046 -19.574 236 HZ2 LYS 33 1HZ LYS 33 5.783 9.834 -19.223 237 HZ3 LYS 33 2HZ LYS 33 4.626 10.591 -20.197 238 H ARG 34 H ARG 34 1.607 11.244 -12.338 239 HA ARG 34 HA ARG 34 -0.365 13.142 -12.987 240 HB2 ARG 34 1HB ARG 34 -1.287 10.795 -13.802 241 HB3 ARG 34 2HB ARG 34 -1.696 10.623 -12.100 242 HG2 ARG 34 1HG ARG 34 -3.290 12.249 -12.171 243 HG3 ARG 34 2HG ARG 34 -2.491 13.129 -13.475 244 HD2 ARG 34 1HD ARG 34 -4.438 12.206 -14.428 245 HD3 ARG 34 2HD ARG 34 -3.108 11.187 -14.977 246 HE ARG 34 HE ARG 34 -4.343 10.204 -12.591 247 HH11 ARG 34 1HH1 ARG 34 -4.583 10.315 -16.062 248 HH12 ARG 34 2HH1 ARG 34 -5.494 8.845 -16.176 249 HH21 ARG 34 1HH2 ARG 34 -5.542 8.268 -12.728 250 HH22 ARG 34 2HH2 ARG 34 -6.040 7.683 -14.279 251 H ASN 35 H ASN 35 -2.080 13.159 -11.018 252 HA ASN 35 HA ASN 35 -0.649 13.886 -8.754 253 HB2 ASN 35 1HB ASN 35 -3.533 12.975 -8.849 254 HB3 ASN 35 2HB ASN 35 -2.796 13.970 -7.597 255 HD21 ASN 35 1HD2 ASN 35 -2.095 16.094 -8.158 256 HD22 ASN 35 2HD2 ASN 35 -2.843 16.939 -9.466 257 H LEU 36 H LEU 36 -1.038 12.910 -6.518 258 HA LEU 36 HA LEU 36 -0.203 10.127 -6.630 259 HB2 LEU 36 1HB LEU 36 0.805 12.066 -5.197 260 HB3 LEU 36 2HB LEU 36 -0.513 11.673 -4.094 261 HG LEU 36 HG LEU 36 1.781 10.631 -3.648 262 HD11 LEU 36 1HD1 LEU 36 0.358 8.272 -3.512 263 HD12 LEU 36 2HD1 LEU 36 -0.893 9.514 -3.485 264 HD13 LEU 36 3HD1 LEU 36 0.400 9.539 -2.286 265 HD21 LEU 36 3HD2 LEU 36 2.619 9.006 -4.987 266 HD22 LEU 36 1HD2 LEU 36 1.751 9.919 -6.222 267 HD23 LEU 36 2HD2 LEU 36 1.026 8.470 -5.525 268 H SER 37 H SER 37 -2.510 11.974 -4.627 269 HA SER 37 HA SER 37 -3.879 9.809 -3.568 270 HB2 SER 37 1HB SER 37 -4.075 12.285 -2.944 271 HB3 SER 37 2HB SER 37 -5.231 12.414 -4.271 272 HG SER 37 HG SER 37 -6.638 11.712 -2.890 273 H ARG 38 H ARG 38 -4.492 11.591 -6.568 274 HA ARG 38 HA ARG 38 -6.875 10.524 -7.377 275 HB2 ARG 38 1HB ARG 38 -4.426 11.193 -9.008 276 HB3 ARG 38 2HB ARG 38 -5.966 10.752 -9.734 277 HG2 ARG 38 1HG ARG 38 -5.676 13.035 -7.804 278 HG3 ARG 38 2HG ARG 38 -5.478 13.218 -9.548 279 HD2 ARG 38 1HD ARG 38 -7.714 12.667 -9.973 280 HD3 ARG 38 2HD ARG 38 -7.934 11.958 -8.374 281 HE ARG 38 HE ARG 38 -8.489 14.029 -7.600 282 HH11 ARG 38 1HH1 ARG 38 -6.695 14.396 -10.561 283 HH12 ARG 38 2HH1 ARG 38 -6.913 16.113 -10.632 284 HH21 ARG 38 1HH2 ARG 38 -8.783 16.289 -7.683 285 HH22 ARG 38 2HH2 ARG 38 -8.100 17.189 -8.994 286 H ASP 39 H ASP 39 -3.699 9.015 -7.483 287 HA ASP 39 HA ASP 39 -4.802 6.629 -8.754 288 HB2 ASP 39 1HB ASP 39 -2.021 7.581 -8.139 289 HB3 ASP 39 2HB ASP 39 -2.320 5.884 -8.506 290 H PHE 40 H PHE 40 -2.691 7.247 -5.941 291 HA PHE 40 HA PHE 40 -2.796 4.857 -4.679 292 HB2 PHE 40 1HB PHE 40 -2.672 7.659 -3.674 293 HB3 PHE 40 2HB PHE 40 -2.936 6.378 -2.496 294 HD1 PHE 40 2HD PHE 40 -0.832 6.502 -5.568 295 HD2 PHE 40 1HD PHE 40 -0.971 6.084 -1.334 296 HE1 PHE 40 2HE PHE 40 1.584 6.038 -5.538 297 HE2 PHE 40 1HE PHE 40 1.446 5.622 -1.298 298 HZ PHE 40 HZ PHE 40 2.726 5.597 -3.401 299 H SER 41 H SER 41 -5.288 7.368 -4.537 300 HA SER 41 HA SER 41 -7.011 6.587 -2.660 301 HB2 SER 41 1HB SER 41 -8.890 7.231 -4.170 302 HB3 SER 41 2HB SER 41 -7.562 8.392 -4.183 303 HG SER 41 HG SER 41 -8.128 8.007 -6.293 304 H ASP 42 H ASP 42 -6.585 4.922 -5.750 305 HA ASP 42 HA ASP 42 -8.597 2.955 -5.207 306 HB2 ASP 42 1HB ASP 42 -7.772 3.715 -7.507 307 HB3 ASP 42 2HB ASP 42 -6.370 2.689 -7.221 308 H GLY 43 H GLY 43 -8.327 1.562 -3.581 309 HA2 GLY 43 1HA GLY 43 -6.208 0.826 -2.140 310 HA3 GLY 43 2HA GLY 43 -7.436 -0.349 -2.590 311 H VAL 44 H VAL 44 -7.009 -0.750 -5.231 312 HA VAL 44 HA VAL 44 -5.086 -2.655 -5.405 313 HB VAL 44 HB VAL 44 -5.940 -0.790 -7.623 314 HG11 VAL 44 1HG1 VAL 44 -4.003 -2.954 -7.564 315 HG12 VAL 44 2HG1 VAL 44 -5.284 -3.226 -8.747 316 HG13 VAL 44 3HG1 VAL 44 -4.317 -1.752 -8.815 317 HG21 VAL 44 3HG2 VAL 44 -7.226 -3.054 -8.150 318 HG22 VAL 44 1HG2 VAL 44 -7.092 -3.236 -6.401 319 HG23 VAL 44 2HG2 VAL 44 -7.898 -1.822 -7.081 320 H LEU 45 H LEU 45 -4.634 0.734 -6.422 321 HA LEU 45 HA LEU 45 -2.011 0.650 -7.209 322 HB2 LEU 45 1HB LEU 45 -3.755 2.607 -7.045 323 HB3 LEU 45 2HB LEU 45 -2.916 2.943 -5.532 324 HG LEU 45 HG LEU 45 -1.854 4.351 -7.024 325 HD11 LEU 45 1HD1 LEU 45 -0.279 2.825 -5.816 326 HD12 LEU 45 2HD1 LEU 45 0.364 3.532 -7.298 327 HD13 LEU 45 3HD1 LEU 45 -0.187 1.857 -7.288 328 HD21 LEU 45 3HD2 LEU 45 -3.022 3.014 -8.985 329 HD22 LEU 45 1HD2 LEU 45 -1.408 2.322 -9.147 330 HD23 LEU 45 2HD2 LEU 45 -1.636 4.066 -9.276 331 H VAL 46 H VAL 46 -3.129 1.458 -3.917 332 HA VAL 46 HA VAL 46 -0.711 1.683 -2.645 333 HB VAL 46 HB VAL 46 -3.190 0.385 -1.505 334 HG11 VAL 46 1HG1 VAL 46 -1.268 1.916 0.159 335 HG12 VAL 46 2HG1 VAL 46 -2.290 0.541 0.582 336 HG13 VAL 46 3HG1 VAL 46 -0.807 0.289 -0.340 337 HG21 VAL 46 3HG2 VAL 46 -3.302 2.835 -0.520 338 HG22 VAL 46 1HG2 VAL 46 -2.400 3.210 -1.988 339 HG23 VAL 46 2HG2 VAL 46 -3.985 2.446 -2.098 340 H ALA 47 H ALA 47 -2.546 -1.299 -3.234 341 HA ALA 47 HA ALA 47 -0.935 -3.102 -1.885 342 HB1 ALA 47 3HB ALA 47 -2.401 -3.570 -4.478 343 HB2 ALA 47 1HB ALA 47 -1.842 -4.813 -3.359 344 HB3 ALA 47 2HB ALA 47 -3.102 -3.683 -2.864 345 H GLU 48 H GLU 48 -0.534 -1.718 -5.104 346 HA GLU 48 HA GLU 48 1.552 -3.361 -5.998 347 HB2 GLU 48 1HB GLU 48 1.294 -0.443 -6.698 348 HB3 GLU 48 2HB GLU 48 1.929 -1.748 -7.691 349 HG2 GLU 48 1HG GLU 48 -0.394 -2.731 -7.665 350 HG3 GLU 48 2HG GLU 48 -0.931 -1.210 -6.954 351 H VAL 49 H VAL 49 1.583 -0.385 -4.097 352 HA VAL 49 HA VAL 49 4.304 0.155 -4.095 353 HB VAL 49 HB VAL 49 2.289 0.575 -1.886 354 HG11 VAL 49 1HG1 VAL 49 4.154 2.463 -1.446 355 HG12 VAL 49 2HG1 VAL 49 4.144 0.895 -0.637 356 HG13 VAL 49 3HG1 VAL 49 5.177 1.157 -2.043 357 HG21 VAL 49 3HG2 VAL 49 2.638 1.810 -4.398 358 HG22 VAL 49 1HG2 VAL 49 1.559 2.293 -3.088 359 HG23 VAL 49 2HG2 VAL 49 3.189 2.959 -3.179 360 H ILE 50 H ILE 50 2.549 -2.365 -2.503 361 HA ILE 50 HA ILE 50 4.637 -2.980 -0.610 362 HB ILE 50 HB ILE 50 2.296 -4.721 -1.376 363 HG12 ILE 50 1HG1 ILE 50 2.381 -2.777 0.929 364 HG13 ILE 50 2HG1 ILE 50 1.707 -2.346 -0.639 365 HG21 ILE 50 1HG2 ILE 50 2.738 -5.222 1.213 366 HG22 ILE 50 2HG2 ILE 50 3.537 -6.106 -0.086 367 HG23 ILE 50 3HG2 ILE 50 4.374 -4.782 0.724 368 HD11 ILE 50 3HD1 ILE 50 0.723 -4.396 1.313 369 HD12 ILE 50 1HD1 ILE 50 -0.116 -2.976 0.688 370 HD13 ILE 50 2HD1 ILE 50 0.189 -4.357 -0.367 371 H LYS 51 H LYS 51 3.464 -4.271 -3.681 372 HA LYS 51 HA LYS 51 4.765 -6.633 -3.934 373 HB2 LYS 51 1HB LYS 51 3.415 -5.871 -5.738 374 HB3 LYS 51 2HB LYS 51 4.408 -4.437 -5.969 375 HG2 LYS 51 1HG LYS 51 5.011 -5.825 -7.729 376 HG3 LYS 51 2HG LYS 51 6.295 -6.073 -6.544 377 HD2 LYS 51 1HD LYS 51 5.617 -8.202 -6.054 378 HD3 LYS 51 2HD LYS 51 3.926 -7.866 -6.431 379 HE2 LYS 51 1HE LYS 51 6.128 -8.086 -8.479 380 HE3 LYS 51 2HE LYS 51 5.032 -9.397 -8.047 381 HZ1 LYS 51 3HZ LYS 51 3.355 -7.344 -8.601 382 HZ2 LYS 51 1HZ LYS 51 3.753 -8.596 -9.667 383 HZ3 LYS 51 2HZ LYS 51 4.583 -7.124 -9.743 384 H PHE 52 H PHE 52 6.215 -3.461 -4.665 385 HA PHE 52 HA PHE 52 8.716 -4.176 -5.455 386 HB2 PHE 52 1HB PHE 52 8.098 -1.858 -5.381 387 HB3 PHE 52 2HB PHE 52 7.907 -1.907 -3.631 388 HD1 PHE 52 1HD PHE 52 10.363 -2.015 -6.379 389 HD2 PHE 52 2HD PHE 52 9.753 -1.608 -2.186 390 HE1 PHE 52 1HE PHE 52 12.704 -1.305 -6.110 391 HE2 PHE 52 2HE PHE 52 12.092 -0.896 -1.911 392 HZ PHE 52 HZ PHE 52 13.571 -0.743 -3.875 393 H TYR 53 H TYR 53 7.718 -3.715 -2.066 394 HA TYR 53 HA TYR 53 10.202 -4.655 -1.019 395 HB2 TYR 53 1HB TYR 53 7.513 -4.111 0.234 396 HB3 TYR 53 2HB TYR 53 8.881 -4.715 1.162 397 HD1 TYR 53 1HD TYR 53 11.111 -3.304 0.845 398 HD2 TYR 53 2HD TYR 53 7.181 -1.829 0.150 399 HE1 TYR 53 1HE TYR 53 11.928 -1.004 1.144 400 HE2 TYR 53 2HE TYR 53 7.988 0.475 0.446 401 HH TYR 53 HH TYR 53 9.808 1.671 1.468 402 H PHE 54 H PHE 54 6.920 -6.026 -0.720 403 HA PHE 54 HA PHE 54 8.129 -8.706 -0.867 404 HB2 PHE 54 1HB PHE 54 5.738 -8.034 0.848 405 HB3 PHE 54 2HB PHE 54 6.688 -9.517 0.851 406 HD1 PHE 54 1HD PHE 54 9.335 -8.965 1.238 407 HD2 PHE 54 2HD PHE 54 6.034 -6.691 2.669 408 HE1 PHE 54 1HE PHE 54 10.745 -8.058 3.039 409 HE2 PHE 54 2HE PHE 54 7.439 -5.780 4.471 410 HZ PHE 54 HZ PHE 54 9.798 -6.462 4.658 411 HA PRO 55 HA PRO 55 5.247 -9.069 -4.235 412 HB2 PRO 55 1HB PRO 55 5.824 -11.655 -4.828 413 HB3 PRO 55 2HB PRO 55 6.873 -10.308 -5.284 414 HG2 PRO 55 1HG PRO 55 7.111 -12.195 -2.973 415 HG3 PRO 55 2HG PRO 55 8.375 -11.596 -4.062 416 HD2 PRO 55 1HD PRO 55 7.984 -10.577 -1.584 417 HD3 PRO 55 2HD PRO 55 8.567 -9.591 -2.940 418 H LYS 56 H LYS 56 5.540 -11.787 -1.939 419 HA LYS 56 HA LYS 56 3.029 -12.907 -2.358 420 HB2 LYS 56 1HB LYS 56 4.520 -12.828 0.270 421 HB3 LYS 56 2HB LYS 56 3.312 -14.009 -0.220 422 HG2 LYS 56 1HG LYS 56 5.935 -13.624 -1.641 423 HG3 LYS 56 2HG LYS 56 5.680 -14.794 -0.344 424 HD2 LYS 56 1HD LYS 56 3.933 -14.739 -2.786 425 HD3 LYS 56 2HD LYS 56 5.461 -15.621 -2.760 426 HE2 LYS 56 1HE LYS 56 4.714 -17.054 -1.038 427 HE3 LYS 56 2HE LYS 56 3.329 -16.024 -0.678 428 HZ1 LYS 56 3HZ LYS 56 2.240 -16.697 -2.614 429 HZ2 LYS 56 1HZ LYS 56 2.901 -18.129 -2.000 430 HZ3 LYS 56 2HZ LYS 56 3.641 -17.347 -3.304 431 H MET 57 H MET 57 3.996 -10.619 0.204 432 HA MET 57 HA MET 57 1.715 -10.232 1.568 433 HB2 MET 57 1HB MET 57 3.686 -8.181 0.584 434 HB3 MET 57 2HB MET 57 2.351 -7.747 1.644 435 HG2 MET 57 1HG MET 57 4.261 -9.933 2.371 436 HG3 MET 57 2HG MET 57 4.639 -8.241 2.684 437 HE1 MET 57 3HE MET 57 1.944 -7.027 4.983 438 HE2 MET 57 1HE MET 57 3.671 -7.160 5.318 439 HE3 MET 57 2HE MET 57 3.119 -6.682 3.712 440 H VAL 58 H VAL 58 2.236 -9.396 -1.756 441 HA VAL 58 HA VAL 58 -0.230 -7.847 -1.904 442 HB VAL 58 HB VAL 58 1.745 -8.545 -4.082 443 HG11 VAL 58 1HG1 VAL 58 0.327 -6.263 -4.791 444 HG12 VAL 58 2HG1 VAL 58 0.137 -7.880 -5.472 445 HG13 VAL 58 3HG1 VAL 58 -0.891 -7.358 -4.138 446 HG21 VAL 58 3HG2 VAL 58 2.470 -7.031 -2.121 447 HG22 VAL 58 1HG2 VAL 58 2.752 -6.471 -3.769 448 HG23 VAL 58 2HG2 VAL 58 1.391 -5.838 -2.844 449 H GLU 59 H GLU 59 -2.094 -8.538 -2.817 450 HA GLU 59 HA GLU 59 -2.115 -11.185 -4.094 451 HB2 GLU 59 1HB GLU 59 -3.731 -10.238 -1.763 452 HB3 GLU 59 2HB GLU 59 -4.457 -11.365 -2.901 453 HG2 GLU 59 1HG GLU 59 -3.586 -12.747 -1.268 454 HG3 GLU 59 2HG GLU 59 -2.350 -12.783 -2.524 455 H MET 60 H MET 60 -2.387 -10.356 -6.139 456 HA MET 60 HA MET 60 -4.547 -8.475 -6.647 457 HB2 MET 60 1HB MET 60 -2.247 -9.545 -8.214 458 HB3 MET 60 2HB MET 60 -3.644 -8.947 -9.098 459 HG2 MET 60 1HG MET 60 -2.421 -7.263 -6.965 460 HG3 MET 60 2HG MET 60 -1.653 -7.367 -8.547 461 HE1 MET 60 3HE MET 60 -5.745 -6.751 -7.473 462 HE2 MET 60 1HE MET 60 -4.406 -6.413 -6.375 463 HE3 MET 60 2HE MET 60 -5.231 -5.086 -7.192 464 H HIS 61 H HIS 61 -5.184 -11.158 -5.719 465 HA HIS 61 HA HIS 61 -6.485 -12.313 -8.087 466 HB2 HIS 61 1HB HIS 61 -5.283 -14.025 -7.048 467 HB3 HIS 61 2HB HIS 61 -5.666 -13.444 -5.430 468 HD1 HIS 61 1HD HIS 61 -8.136 -13.937 -4.577 469 HD2 HIS 61 2HD HIS 61 -7.009 -15.906 -8.057 470 HE1 HIS 61 1HE HIS 61 -9.819 -15.782 -4.881 471 HE2 HIS 61 2HE HIS 61 -9.066 -17.012 -6.946 472 H ASN 62 H ASN 62 -7.117 -11.259 -4.766 473 HA ASN 62 HA ASN 62 -9.983 -11.590 -5.135 474 HB2 ASN 62 1HB ASN 62 -10.160 -10.940 -2.783 475 HB3 ASN 62 2HB ASN 62 -8.963 -12.217 -2.981 476 HD21 ASN 62 1HD2 ASN 62 -6.846 -11.814 -2.527 477 HD22 ASN 62 2HD2 ASN 62 -6.289 -10.345 -1.808 478 H TYR 63 H TYR 63 -7.608 -9.009 -4.752 479 HA TYR 63 HA TYR 63 -9.467 -6.877 -4.634 480 HB2 TYR 63 1HB TYR 63 -6.586 -6.825 -5.554 481 HB3 TYR 63 2HB TYR 63 -7.543 -5.429 -5.073 482 HD1 TYR 63 2HD TYR 63 -8.900 -6.534 -2.661 483 HD2 TYR 63 1HD TYR 63 -4.863 -6.851 -3.967 484 HE1 TYR 63 2HE TYR 63 -8.176 -6.836 -0.330 485 HE2 TYR 63 1HE TYR 63 -4.128 -7.155 -1.640 486 HH TYR 63 HH TYR 63 -6.459 -7.395 1.007 487 H VAL 64 H VAL 64 -10.091 -5.394 -6.228 488 HA VAL 64 HA VAL 64 -9.463 -5.997 -9.010 489 HB VAL 64 HB VAL 64 -12.215 -6.211 -7.829 490 HG11 VAL 64 1HG1 VAL 64 -12.605 -6.327 -10.546 491 HG12 VAL 64 2HG1 VAL 64 -13.015 -4.964 -9.503 492 HG13 VAL 64 3HG1 VAL 64 -11.478 -4.984 -10.367 493 HG21 VAL 64 3HG2 VAL 64 -12.153 -8.128 -9.614 494 HG22 VAL 64 1HG2 VAL 64 -10.408 -7.912 -9.483 495 HG23 VAL 64 2HG2 VAL 64 -11.355 -8.333 -8.055 496 HA PRO 65 HA PRO 65 -9.454 -1.571 -9.079 497 HB2 PRO 65 1HB PRO 65 -9.187 -1.276 -11.764 498 HB3 PRO 65 2HB PRO 65 -7.851 -1.764 -10.714 499 HG2 PRO 65 1HG PRO 65 -9.623 -3.455 -12.435 500 HG3 PRO 65 2HG PRO 65 -7.868 -3.548 -12.205 501 HD2 PRO 65 1HD PRO 65 -9.592 -5.216 -10.949 502 HD3 PRO 65 2HD PRO 65 -8.063 -4.693 -10.214 503 H ALA 66 H ALA 66 -11.151 -0.256 -8.937 504 HA ALA 66 HA ALA 66 -13.256 -0.382 -10.961 505 HB1 ALA 66 3HB ALA 66 -13.695 -1.705 -8.674 506 HB2 ALA 66 1HB ALA 66 -14.232 -0.097 -8.186 507 HB3 ALA 66 2HB ALA 66 -14.973 -0.890 -9.577 508 H ASN 67 H ASN 67 -14.903 1.473 -10.475 509 HA ASN 67 HA ASN 67 -13.414 3.845 -9.566 510 HB2 ASN 67 1HB ASN 67 -14.536 5.131 -11.377 511 HB3 ASN 67 2HB ASN 67 -13.452 3.885 -11.988 512 HD21 ASN 67 1HD2 ASN 67 -14.751 4.253 -13.945 513 HD22 ASN 67 2HD2 ASN 67 -16.212 3.351 -14.136 514 H SER 68 H SER 68 -15.559 2.026 -8.403 515 HA SER 68 HA SER 68 -17.539 4.130 -7.820 516 HB2 SER 68 1HB SER 68 -17.853 1.152 -8.104 517 HB3 SER 68 2HB SER 68 -19.010 2.097 -7.167 518 HG SER 68 HG SER 68 -19.475 1.765 -9.484 519 H LEU 69 H LEU 69 -18.007 4.590 -5.718 520 HA LEU 69 HA LEU 69 -16.147 4.258 -3.736 521 HB2 LEU 69 1HB LEU 69 -19.104 4.735 -3.613 522 HB3 LEU 69 2HB LEU 69 -18.131 4.641 -2.147 523 HG LEU 69 HG LEU 69 -18.545 6.954 -2.818 524 HD11 LEU 69 1HD1 LEU 69 -15.649 6.444 -3.361 525 HD12 LEU 69 2HD1 LEU 69 -16.340 6.088 -1.779 526 HD13 LEU 69 3HD1 LEU 69 -16.402 7.730 -2.418 527 HD21 LEU 69 3HD2 LEU 69 -18.691 6.471 -5.264 528 HD22 LEU 69 1HD2 LEU 69 -16.931 6.345 -5.288 529 HD23 LEU 69 2HD2 LEU 69 -17.700 7.872 -4.855 530 H GLN 70 H GLN 70 -19.302 2.625 -3.515 531 HA GLN 70 HA GLN 70 -18.888 0.822 -1.600 532 HB2 GLN 70 1HB GLN 70 -20.417 -0.707 -2.706 533 HB3 GLN 70 2HB GLN 70 -20.952 0.952 -2.942 534 HG2 GLN 70 1HG GLN 70 -19.849 0.896 -5.185 535 HG3 GLN 70 2HG GLN 70 -19.577 -0.828 -4.935 536 HE21 GLN 70 1HE2 GLN 70 -22.224 1.525 -4.670 537 HE22 GLN 70 2HE2 GLN 70 -23.417 0.521 -5.413 538 H GLN 71 H GLN 71 -17.826 0.321 -4.957 539 HA GLN 71 HA GLN 71 -16.649 -2.187 -4.594 540 HB2 GLN 71 1HB GLN 71 -17.102 -0.755 -6.755 541 HB3 GLN 71 2HB GLN 71 -15.449 -0.214 -6.495 542 HG2 GLN 71 1HG GLN 71 -15.799 -2.176 -8.063 543 HG3 GLN 71 2HG GLN 71 -14.573 -2.355 -6.808 544 HE21 GLN 71 1HE2 GLN 71 -14.629 -4.153 -5.671 545 HE22 GLN 71 2HE2 GLN 71 -15.988 -5.204 -5.494 546 H LYS 72 H LYS 72 -15.188 1.051 -4.432 547 HA LYS 72 HA LYS 72 -12.568 0.277 -3.896 548 HB2 LYS 72 1HB LYS 72 -14.037 2.730 -2.910 549 HB3 LYS 72 2HB LYS 72 -12.290 2.526 -2.913 550 HG2 LYS 72 1HG LYS 72 -13.822 2.261 -5.461 551 HG3 LYS 72 2HG LYS 72 -13.441 3.859 -4.815 552 HD2 LYS 72 1HD LYS 72 -11.097 3.410 -4.893 553 HD3 LYS 72 2HD LYS 72 -11.377 1.709 -5.270 554 HE2 LYS 72 1HE LYS 72 -10.890 2.540 -7.354 555 HE3 LYS 72 2HE LYS 72 -12.646 2.696 -7.339 556 HZ1 LYS 72 3HZ LYS 72 -10.638 4.736 -7.467 557 HZ2 LYS 72 1HZ LYS 72 -11.785 5.035 -6.259 558 HZ3 LYS 72 2HZ LYS 72 -12.281 4.814 -7.860 559 H LEU 73 H LEU 73 -15.027 1.311 -1.523 560 HA LEU 73 HA LEU 73 -13.605 0.766 0.782 561 HB2 LEU 73 1HB LEU 73 -16.540 0.696 0.170 562 HB3 LEU 73 2HB LEU 73 -15.931 0.338 1.785 563 HG LEU 73 HG LEU 73 -15.523 2.937 0.306 564 HD11 LEU 73 1HD1 LEU 73 -17.879 2.407 1.043 565 HD12 LEU 73 2HD1 LEU 73 -17.177 3.884 1.702 566 HD13 LEU 73 3HD1 LEU 73 -17.273 2.433 2.699 567 HD21 LEU 73 3HD2 LEU 73 -14.137 1.794 2.487 568 HD22 LEU 73 1HD2 LEU 73 -15.148 3.090 3.128 569 HD23 LEU 73 2HD2 LEU 73 -13.995 3.428 1.836 570 H SER 74 H SER 74 -15.611 -1.414 -1.153 571 HA SER 74 HA SER 74 -15.641 -3.634 0.497 572 HB2 SER 74 1HB SER 74 -16.815 -3.287 -1.758 573 HB3 SER 74 2HB SER 74 -15.314 -3.848 -2.493 574 HG SER 74 HG SER 74 -16.498 -5.658 -2.230 575 H ASN 75 H ASN 75 -13.225 -2.769 -1.966 576 HA ASN 75 HA ASN 75 -11.554 -5.000 -1.537 577 HB2 ASN 75 1HB ASN 75 -11.093 -2.285 -2.757 578 HB3 ASN 75 2HB ASN 75 -9.793 -3.465 -2.617 579 HD21 ASN 75 1HD2 ASN 75 -11.562 -2.235 -4.845 580 HD22 ASN 75 2HD2 ASN 75 -11.959 -3.608 -5.816 581 H TRP 76 H TRP 76 -11.112 -1.613 -0.503 582 HA TRP 76 HA TRP 76 -8.869 -1.810 1.006 583 HB2 TRP 76 1HB TRP 76 -11.341 -0.164 1.269 584 HB3 TRP 76 2HB TRP 76 -10.188 -0.136 2.601 585 HD1 TRP 76 HD TRP 76 -10.732 1.173 -0.895 586 HE1 TRP 76 1HE TRP 76 -8.789 2.736 -1.535 587 HE3 TRP 76 3HE TRP 76 -7.580 0.192 3.009 588 HZ2 TRP 76 2HZ TRP 76 -6.256 3.457 -0.519 589 HZ3 TRP 76 3HZ TRP 76 -5.416 1.360 3.101 590 HH2 TRP 76 HH TRP 76 -4.770 2.958 1.371 591 H GLY 77 H GLY 77 -12.166 -2.464 2.201 592 HA2 GLY 77 1HA GLY 77 -11.693 -3.103 4.804 593 HA3 GLY 77 2HA GLY 77 -12.872 -3.953 3.816 594 H HIS 78 H HIS 78 -11.187 -5.260 2.032 595 HA HIS 78 HA HIS 78 -10.421 -7.510 3.568 596 HB2 HIS 78 1HB HIS 78 -10.021 -6.742 0.684 597 HB3 HIS 78 2HB HIS 78 -9.352 -8.233 1.341 598 HD1 HIS 78 1HD HIS 78 -11.486 -8.284 -0.883 599 HD2 HIS 78 2HD HIS 78 -12.324 -8.567 3.176 600 HE1 HIS 78 1HE HIS 78 -13.718 -9.435 -0.735 601 HE2 HIS 78 2HE HIS 78 -14.243 -9.518 1.726 602 H LEU 79 H LEU 79 -8.546 -4.990 1.915 603 HA LEU 79 HA LEU 79 -5.994 -5.988 2.454 604 HB2 LEU 79 1HB LEU 79 -6.756 -4.022 0.962 605 HB3 LEU 79 2HB LEU 79 -6.599 -3.054 2.426 606 HG LEU 79 HG LEU 79 -4.180 -4.119 2.452 607 HD11 LEU 79 1HD1 LEU 79 -5.167 -4.527 -0.327 608 HD12 LEU 79 2HD1 LEU 79 -4.097 -5.530 0.652 609 HD13 LEU 79 3HD1 LEU 79 -3.489 -4.044 -0.079 610 HD21 LEU 79 3HD2 LEU 79 -4.950 -1.873 0.591 611 HD22 LEU 79 1HD2 LEU 79 -3.367 -2.139 1.321 612 HD23 LEU 79 2HD2 LEU 79 -4.748 -1.724 2.337 613 H ASN 80 H ASN 80 -8.299 -4.507 4.529 614 HA ASN 80 HA ASN 80 -6.454 -3.593 6.517 615 HB2 ASN 80 1HB ASN 80 -8.868 -2.792 6.119 616 HB3 ASN 80 2HB ASN 80 -9.356 -4.229 7.013 617 HD21 ASN 80 1HD2 ASN 80 -9.240 -1.158 7.448 618 HD22 ASN 80 2HD2 ASN 80 -8.656 -1.028 9.069 619 H ARG 81 H ARG 81 -8.105 -6.579 5.834 620 HA ARG 81 HA ARG 81 -7.077 -7.725 8.344 621 HB2 ARG 81 1HB ARG 81 -9.374 -8.536 6.568 622 HB3 ARG 81 2HB ARG 81 -8.722 -9.597 7.809 623 HG2 ARG 81 1HG ARG 81 -9.143 -7.620 9.408 624 HG3 ARG 81 2HG ARG 81 -10.187 -7.010 8.122 625 HD2 ARG 81 1HD ARG 81 -10.455 -9.815 9.146 626 HD3 ARG 81 2HD ARG 81 -11.232 -8.465 9.972 627 HE ARG 81 HE ARG 81 -11.796 -8.547 7.161 628 HH11 ARG 81 1HH1 ARG 81 -12.712 -9.780 10.285 629 HH12 ARG 81 2HH1 ARG 81 -14.339 -10.141 9.811 630 HH21 ARG 81 1HH2 ARG 81 -13.935 -9.018 6.524 631 HH22 ARG 81 2HH2 ARG 81 -15.033 -9.708 7.671 632 H LYS 82 H LYS 82 -6.151 -7.387 5.279 633 HA LYS 82 HA LYS 82 -5.023 -10.104 5.095 634 HB2 LYS 82 1HB LYS 82 -5.632 -8.120 2.897 635 HB3 LYS 82 2HB LYS 82 -4.784 -9.641 2.654 636 HG2 LYS 82 1HG LYS 82 -7.567 -9.444 3.778 637 HG3 LYS 82 2HG LYS 82 -7.209 -9.677 2.066 638 HD2 LYS 82 1HD LYS 82 -6.494 -11.824 2.367 639 HD3 LYS 82 2HD LYS 82 -5.920 -11.518 4.008 640 HE2 LYS 82 1HE LYS 82 -7.757 -12.772 4.495 641 HE3 LYS 82 2HE LYS 82 -8.513 -11.180 4.447 642 HZ1 LYS 82 3HZ LYS 82 -9.741 -11.766 2.708 643 HZ2 LYS 82 1HZ LYS 82 -9.253 -13.363 2.984 644 HZ3 LYS 82 2HZ LYS 82 -8.418 -12.404 1.869 645 H VAL 83 H VAL 83 -4.366 -6.659 4.842 646 HA VAL 83 HA VAL 83 -1.485 -7.241 4.692 647 HB VAL 83 HB VAL 83 -3.033 -4.760 3.957 648 HG11 VAL 83 1HG1 VAL 83 -0.645 -4.028 3.201 649 HG12 VAL 83 2HG1 VAL 83 -1.152 -3.794 4.875 650 HG13 VAL 83 3HG1 VAL 83 -0.115 -5.156 4.448 651 HG21 VAL 83 3HG2 VAL 83 -1.398 -6.750 2.399 652 HG22 VAL 83 1HG2 VAL 83 -3.110 -6.365 2.215 653 HG23 VAL 83 2HG2 VAL 83 -1.886 -5.184 1.749 654 H LEU 84 H LEU 84 -3.322 -4.462 5.935 655 HA LEU 84 HA LEU 84 -1.692 -3.549 7.851 656 HB2 LEU 84 1HB LEU 84 -4.637 -3.973 8.324 657 HB3 LEU 84 2HB LEU 84 -3.605 -2.768 9.093 658 HG LEU 84 HG LEU 84 -4.367 -2.830 6.173 659 HD11 LEU 84 1HD1 LEU 84 -5.189 -0.519 7.691 660 HD12 LEU 84 2HD1 LEU 84 -5.865 -2.002 8.366 661 HD13 LEU 84 3HD1 LEU 84 -6.144 -1.597 6.672 662 HD21 LEU 84 3HD2 LEU 84 -3.410 -0.419 6.424 663 HD22 LEU 84 1HD2 LEU 84 -2.316 -1.779 6.167 664 HD23 LEU 84 2HD2 LEU 84 -2.530 -1.114 7.787 665 H LYS 85 H LYS 85 -4.121 -6.073 8.536 666 HA LYS 85 HA LYS 85 -3.644 -6.715 11.090 667 HB2 LYS 85 1HB LYS 85 -5.079 -7.929 9.287 668 HB3 LYS 85 2HB LYS 85 -3.666 -8.960 9.097 669 HG2 LYS 85 1HG LYS 85 -5.023 -10.097 10.611 670 HG3 LYS 85 2HG LYS 85 -3.802 -9.318 11.620 671 HD2 LYS 85 1HD LYS 85 -5.428 -7.448 11.989 672 HD3 LYS 85 2HD LYS 85 -6.643 -8.420 11.155 673 HE2 LYS 85 1HE LYS 85 -6.351 -10.194 12.823 674 HE3 LYS 85 2HE LYS 85 -5.153 -9.207 13.659 675 HZ1 LYS 85 3HZ LYS 85 -7.876 -8.179 13.180 676 HZ2 LYS 85 1HZ LYS 85 -6.754 -7.709 14.355 677 HZ3 LYS 85 2HZ LYS 85 -7.559 -9.190 14.499 678 H ARG 86 H ARG 86 -1.724 -8.104 8.421 679 HA ARG 86 HA ARG 86 0.143 -9.433 10.017 680 HB2 ARG 86 1HB ARG 86 0.545 -8.242 7.266 681 HB3 ARG 86 2HB ARG 86 1.578 -9.449 8.019 682 HG2 ARG 86 1HG ARG 86 -1.340 -9.970 7.612 683 HG3 ARG 86 2HG ARG 86 -0.178 -10.211 6.305 684 HD2 ARG 86 1HD ARG 86 -0.199 -12.304 7.239 685 HD3 ARG 86 2HD ARG 86 1.123 -11.563 8.139 686 HE ARG 86 HE ARG 86 -0.153 -11.666 10.043 687 HH11 ARG 86 1HH1 ARG 86 -2.163 -12.266 7.265 688 HH12 ARG 86 2HH1 ARG 86 -3.538 -12.751 8.201 689 HH21 ARG 86 1HH2 ARG 86 -1.956 -12.303 11.287 690 HH22 ARG 86 2HH2 ARG 86 -3.420 -12.771 10.489 691 H LEU 87 H LEU 87 0.025 -6.105 8.896 692 HA LEU 87 HA LEU 87 2.653 -5.509 9.969 693 HB2 LEU 87 1HB LEU 87 0.552 -3.771 8.687 694 HB3 LEU 87 2HB LEU 87 2.124 -3.188 9.232 695 HG LEU 87 HG LEU 87 1.922 -5.391 7.208 696 HD11 LEU 87 1HD1 LEU 87 0.587 -3.717 6.207 697 HD12 LEU 87 2HD1 LEU 87 2.190 -3.565 5.489 698 HD13 LEU 87 3HD1 LEU 87 1.672 -2.431 6.736 699 HD21 LEU 87 3HD2 LEU 87 4.014 -3.943 8.490 700 HD22 LEU 87 1HD2 LEU 87 4.036 -3.566 6.767 701 HD23 LEU 87 2HD2 LEU 87 4.132 -5.244 7.303 702 H ASN 88 H ASN 88 0.476 -6.411 11.749 703 HA ASN 88 HA ASN 88 -0.634 -5.806 13.673 704 HB2 ASN 88 1HB ASN 88 1.932 -5.956 14.132 705 HB3 ASN 88 2HB ASN 88 1.821 -4.209 14.328 706 HD21 ASN 88 1HD2 ASN 88 0.620 -7.289 15.509 707 HD22 ASN 88 2HD2 ASN 88 0.185 -6.726 17.084 708 H PHE 89 H PHE 89 -1.206 -4.026 11.500 709 HA PHE 89 HA PHE 89 -1.441 -1.438 12.878 710 HB2 PHE 89 1HB PHE 89 -0.391 -1.774 10.476 711 HB3 PHE 89 2HB PHE 89 -2.079 -1.764 9.976 712 HD1 PHE 89 1HD PHE 89 0.419 0.202 11.901 713 HD2 PHE 89 2HD PHE 89 -3.177 0.247 9.623 714 HE1 PHE 89 1HE PHE 89 0.429 2.663 11.938 715 HE2 PHE 89 2HE PHE 89 -3.172 2.707 9.656 716 HZ PHE 89 HZ PHE 89 -1.367 3.918 10.814 717 H SER 90 H SER 90 -3.481 -0.208 12.314 718 HA SER 90 HA SER 90 -5.817 -1.799 11.725 719 HB2 SER 90 1HB SER 90 -6.921 -1.590 13.815 720 HB3 SER 90 2HB SER 90 -5.295 -2.153 14.201 721 HG SER 90 HG SER 90 -6.527 0.224 14.813 722 H VAL 91 H VAL 91 -7.528 -0.579 11.033 723 HA VAL 91 HA VAL 91 -7.413 2.326 11.365 724 HB VAL 91 HB VAL 91 -7.362 0.884 8.730 725 HG11 VAL 91 1HG1 VAL 91 -7.783 3.529 8.097 726 HG12 VAL 91 2HG1 VAL 91 -8.976 2.234 7.978 727 HG13 VAL 91 3HG1 VAL 91 -8.915 3.249 9.419 728 HG21 VAL 91 3HG2 VAL 91 -5.963 3.438 9.120 729 HG22 VAL 91 1HG2 VAL 91 -5.407 2.118 10.150 730 HG23 VAL 91 2HG2 VAL 91 -5.398 1.932 8.396 731 HA PRO 92 HA PRO 92 -11.732 1.627 12.046 732 HB2 PRO 92 1HB PRO 92 -12.485 4.234 12.124 733 HB3 PRO 92 2HB PRO 92 -11.635 3.439 13.455 734 HG2 PRO 92 1HG PRO 92 -10.548 5.217 11.306 735 HG3 PRO 92 2HG PRO 92 -10.179 5.204 13.041 736 HD2 PRO 92 1HD PRO 92 -8.553 4.070 11.197 737 HD3 PRO 92 2HD PRO 92 -8.719 3.432 12.845 738 H ASP 93 H ASP 93 -13.770 1.981 10.997 739 HA ASP 93 HA ASP 93 -13.649 1.868 8.187 740 HB2 ASP 93 1HB ASP 93 -16.113 2.510 9.809 741 HB3 ASP 93 2HB ASP 93 -16.035 1.729 8.232 742 H ASP 94 H ASP 94 -14.351 4.489 10.422 743 HA ASP 94 HA ASP 94 -15.400 6.366 8.663 744 HB2 ASP 94 1HB ASP 94 -13.579 6.881 11.024 745 HB3 ASP 94 2HB ASP 94 -14.636 8.064 10.260 746 H VAL 95 H VAL 95 -11.994 6.043 9.677 747 HA VAL 95 HA VAL 95 -10.930 7.957 7.957 748 HB VAL 95 HB VAL 95 -9.598 5.432 8.946 749 HG11 VAL 95 1HG1 VAL 95 -8.690 7.252 7.053 750 HG12 VAL 95 2HG1 VAL 95 -7.886 7.727 8.550 751 HG13 VAL 95 3HG1 VAL 95 -7.720 6.079 7.943 752 HG21 VAL 95 3HG2 VAL 95 -10.628 7.243 10.565 753 HG22 VAL 95 1HG2 VAL 95 -9.057 6.510 10.891 754 HG23 VAL 95 2HG2 VAL 95 -9.149 8.113 10.160 755 H MET 96 H MET 96 -11.506 4.503 7.440 756 HA MET 96 HA MET 96 -10.237 4.199 4.987 757 HB2 MET 96 1HB MET 96 -12.674 2.852 6.144 758 HB3 MET 96 2HB MET 96 -11.968 2.370 4.607 759 HG2 MET 96 1HG MET 96 -9.771 2.217 6.035 760 HG3 MET 96 2HG MET 96 -10.914 2.047 7.365 761 HE1 MET 96 3HE MET 96 -12.610 -0.315 7.565 762 HE2 MET 96 1HE MET 96 -11.333 -1.531 7.520 763 HE3 MET 96 2HE MET 96 -11.032 0.036 8.272 764 H ARG 97 H ARG 97 -13.589 5.164 5.667 765 HA ARG 97 HA ARG 97 -14.620 5.320 3.139 766 HB2 ARG 97 1HB ARG 97 -15.042 7.240 5.435 767 HB3 ARG 97 2HB ARG 97 -16.044 7.189 3.991 768 HG2 ARG 97 1HG ARG 97 -15.659 4.755 5.691 769 HG3 ARG 97 2HG ARG 97 -16.865 5.978 6.095 770 HD2 ARG 97 1HD ARG 97 -17.543 5.675 3.574 771 HD3 ARG 97 2HD ARG 97 -16.747 4.114 3.772 772 HE ARG 97 HE ARG 97 -18.466 3.432 5.150 773 HH11 ARG 97 1HH1 ARG 97 -18.738 6.840 4.491 774 HH12 ARG 97 2HH1 ARG 97 -20.334 6.973 5.152 775 HH21 ARG 97 1HH2 ARG 97 -20.567 3.594 6.023 776 HH22 ARG 97 2HH2 ARG 97 -21.373 5.126 6.024 777 H LYS 98 H LYS 98 -13.009 8.020 4.827 778 HA LYS 98 HA LYS 98 -12.979 9.830 2.734 779 HB2 LYS 98 1HB LYS 98 -10.992 9.418 4.971 780 HB3 LYS 98 2HB LYS 98 -10.946 10.795 3.878 781 HG2 LYS 98 1HG LYS 98 -12.835 11.743 4.767 782 HG3 LYS 98 2HG LYS 98 -13.469 10.200 5.343 783 HD2 LYS 98 1HD LYS 98 -11.726 10.142 7.071 784 HD3 LYS 98 2HD LYS 98 -11.116 11.696 6.500 785 HE2 LYS 98 1HE LYS 98 -13.992 11.487 7.230 786 HE3 LYS 98 2HE LYS 98 -12.802 11.523 8.530 787 HZ1 LYS 98 3HZ LYS 98 -12.133 13.526 6.708 788 HZ2 LYS 98 1HZ LYS 98 -12.690 13.706 8.295 789 HZ3 LYS 98 2HZ LYS 98 -13.792 13.665 7.013 790 H ILE 99 H ILE 99 -10.550 7.373 3.560 791 HA ILE 99 HA ILE 99 -8.607 7.940 1.701 792 HB ILE 99 HB ILE 99 -9.548 5.201 2.559 793 HG12 ILE 99 1HG1 ILE 99 -7.193 6.770 3.603 794 HG13 ILE 99 2HG1 ILE 99 -8.791 6.877 4.333 795 HG21 ILE 99 1HG2 ILE 99 -7.541 4.303 1.743 796 HG22 ILE 99 2HG2 ILE 99 -8.119 5.360 0.455 797 HG23 ILE 99 3HG2 ILE 99 -6.819 5.897 1.519 798 HD11 ILE 99 3HD1 ILE 99 -6.759 4.960 4.783 799 HD12 ILE 99 1HD1 ILE 99 -8.346 5.086 5.541 800 HD13 ILE 99 2HD1 ILE 99 -8.144 4.136 4.068 801 H ALA 100 H ALA 100 -11.336 5.690 1.226 802 HA ALA 100 HA ALA 100 -10.846 5.156 -1.477 803 HB1 ALA 100 3HB ALA 100 -12.457 3.696 -1.042 804 HB2 ALA 100 1HB ALA 100 -12.873 4.548 0.445 805 HB3 ALA 100 2HB ALA 100 -13.629 5.013 -1.080 806 H GLN 101 H GLN 101 -12.100 7.953 0.045 807 HA GLN 101 HA GLN 101 -13.421 8.923 -2.361 808 HB2 GLN 101 1HB GLN 101 -13.074 10.132 0.385 809 HB3 GLN 101 2HB GLN 101 -13.908 10.933 -0.940 810 HG2 GLN 101 1HG GLN 101 -15.268 8.660 -0.960 811 HG3 GLN 101 2HG GLN 101 -14.751 8.633 0.725 812 HE21 GLN 101 1HE2 GLN 101 -17.259 9.379 -1.104 813 HE22 GLN 101 2HE2 GLN 101 -17.934 10.702 -0.222 814 H CYS 102 H CYS 102 -10.499 8.452 -2.258 815 HA CYS 102 HA CYS 102 -8.500 9.518 -2.659 816 HB2 CYS 102 1HB CYS 102 -8.544 10.780 -4.702 817 HB3 CYS 102 2HB CYS 102 -9.749 9.504 -4.833 818 HG CYS 102 HG CYS 102 -11.930 11.163 -4.406 819 H ALA 103 H ALA 103 -9.374 10.507 -0.321 820 HA ALA 103 HA ALA 103 -9.487 13.401 -0.425 821 HB1 ALA 103 3HB ALA 103 -10.009 13.349 1.841 822 HB2 ALA 103 1HB ALA 103 -10.739 11.867 1.222 823 HB3 ALA 103 2HB ALA 103 -9.205 11.799 2.091 824 HA PRO 104 HA PRO 104 -5.064 13.806 -0.233 825 HB2 PRO 104 1HB PRO 104 -5.026 16.504 0.066 826 HB3 PRO 104 2HB PRO 104 -5.346 15.714 -1.482 827 HG2 PRO 104 1HG PRO 104 -7.278 16.875 0.486 828 HG3 PRO 104 2HG PRO 104 -7.269 17.006 -1.282 829 HD2 PRO 104 1HD PRO 104 -8.879 15.279 0.042 830 HD3 PRO 104 2HD PRO 104 -8.217 14.925 -1.567 831 H GLY 105 H GLY 105 -3.656 13.697 1.419 832 HA2 GLY 105 1HA GLY 105 -2.708 14.228 3.489 833 HA3 GLY 105 2HA GLY 105 -4.151 15.149 3.888 834 H VAL 106 H VAL 106 -5.918 12.892 3.162 835 HA VAL 106 HA VAL 106 -6.052 11.674 5.724 836 HB VAL 106 HB VAL 106 -7.489 10.963 3.163 837 HG11 VAL 106 1HG1 VAL 106 -7.926 9.065 4.306 838 HG12 VAL 106 2HG1 VAL 106 -7.542 9.789 5.869 839 HG13 VAL 106 3HG1 VAL 106 -9.112 10.085 5.120 840 HG21 VAL 106 3HG2 VAL 106 -7.892 13.251 4.043 841 HG22 VAL 106 1HG2 VAL 106 -9.331 12.233 4.046 842 HG23 VAL 106 2HG2 VAL 106 -8.460 12.531 5.550 843 H VAL 107 H VAL 107 -5.924 9.937 2.623 844 HA VAL 107 HA VAL 107 -5.059 7.514 3.559 845 HB VAL 107 HB VAL 107 -5.741 7.768 1.261 846 HG11 VAL 107 1HG1 VAL 107 -3.201 9.340 0.835 847 HG12 VAL 107 2HG1 VAL 107 -4.388 8.911 -0.398 848 HG13 VAL 107 3HG1 VAL 107 -4.826 10.023 0.900 849 HG21 VAL 107 3HG2 VAL 107 -2.840 6.942 1.315 850 HG22 VAL 107 1HG2 VAL 107 -4.180 5.931 1.857 851 HG23 VAL 107 2HG2 VAL 107 -4.073 6.421 0.166 852 H GLU 108 H GLU 108 -3.238 10.432 3.250 853 HA GLU 108 HA GLU 108 -0.637 9.329 3.161 854 HB2 GLU 108 1HB GLU 108 -1.725 12.002 4.008 855 HB3 GLU 108 2HB GLU 108 -0.015 11.625 4.162 856 HG2 GLU 108 1HG GLU 108 -0.063 11.049 1.697 857 HG3 GLU 108 2HG GLU 108 -1.657 11.801 1.658 858 H LEU 109 H LEU 109 -2.754 10.271 5.827 859 HA LEU 109 HA LEU 109 -0.967 10.029 7.941 860 HB2 LEU 109 1HB LEU 109 -3.903 9.348 7.900 861 HB3 LEU 109 2HB LEU 109 -2.936 9.620 9.348 862 HG LEU 109 HG LEU 109 -3.253 11.758 7.266 863 HD11 LEU 109 1HD1 LEU 109 -5.159 12.625 8.416 864 HD12 LEU 109 2HD1 LEU 109 -5.060 11.363 9.642 865 HD13 LEU 109 3HD1 LEU 109 -5.498 10.949 7.985 866 HD21 LEU 109 3HD2 LEU 109 -2.143 11.509 9.976 867 HD22 LEU 109 1HD2 LEU 109 -3.120 12.949 9.694 868 HD23 LEU 109 2HD2 LEU 109 -1.722 12.618 8.671 869 H VAL 110 H VAL 110 -2.309 7.606 5.922 870 HA VAL 110 HA VAL 110 -1.656 5.467 7.811 871 HB VAL 110 HB VAL 110 -2.834 5.112 5.061 872 HG11 VAL 110 1HG1 VAL 110 -3.374 2.969 5.719 873 HG12 VAL 110 2HG1 VAL 110 -1.829 3.211 6.537 874 HG13 VAL 110 3HG1 VAL 110 -3.339 3.372 7.435 875 HG21 VAL 110 3HG2 VAL 110 -4.883 4.854 6.941 876 HG22 VAL 110 1HG2 VAL 110 -4.040 6.343 7.370 877 HG23 VAL 110 2HG2 VAL 110 -4.689 6.135 5.744 878 H LEU 111 H LEU 111 -0.559 6.941 4.859 879 HA LEU 111 HA LEU 111 1.156 4.830 4.022 880 HB2 LEU 111 1HB LEU 111 1.212 7.776 3.386 881 HB3 LEU 111 2HB LEU 111 2.177 6.549 2.569 882 HG LEU 111 HG LEU 111 -0.821 6.413 2.582 883 HD11 LEU 111 1HD1 LEU 111 -0.134 7.430 0.126 884 HD12 LEU 111 2HD1 LEU 111 0.868 8.365 1.235 885 HD13 LEU 111 3HD1 LEU 111 -0.883 8.330 1.445 886 HD21 LEU 111 3HD2 LEU 111 1.348 5.329 0.793 887 HD22 LEU 111 1HD2 LEU 111 -0.377 5.215 0.447 888 HD23 LEU 111 2HD2 LEU 111 0.291 4.414 1.869 889 H ILE 112 H ILE 112 1.746 7.899 5.725 890 HA ILE 112 HA ILE 112 4.450 7.851 6.034 891 HB ILE 112 HB ILE 112 2.239 8.851 7.736 892 HG12 ILE 112 1HG1 ILE 112 4.789 10.245 6.955 893 HG13 ILE 112 2HG1 ILE 112 3.476 10.039 5.801 894 HG21 ILE 112 1HG2 ILE 112 3.875 9.613 9.463 895 HG22 ILE 112 2HG2 ILE 112 3.578 7.875 9.454 896 HG23 ILE 112 3HG2 ILE 112 5.057 8.520 8.743 897 HD11 ILE 112 3HD1 ILE 112 3.595 11.707 8.262 898 HD12 ILE 112 1HD1 ILE 112 3.038 12.123 6.642 899 HD13 ILE 112 2HD1 ILE 112 2.037 11.114 7.687 900 HA PRO 113 HA PRO 113 4.140 5.007 9.929 901 HB2 PRO 113 1HB PRO 113 1.748 3.819 10.416 902 HB3 PRO 113 2HB PRO 113 2.185 5.401 11.071 903 HG2 PRO 113 1HG PRO 113 0.503 4.737 8.685 904 HG3 PRO 113 2HG PRO 113 0.228 5.955 9.943 905 HD2 PRO 113 1HD PRO 113 1.230 6.579 7.507 906 HD3 PRO 113 2HD PRO 113 1.681 7.462 8.979 907 H LEU 114 H LEU 114 1.750 3.865 7.533 908 HA LEU 114 HA LEU 114 2.262 1.180 7.573 909 HB2 LEU 114 1HB LEU 114 0.501 2.166 6.232 910 HB3 LEU 114 2HB LEU 114 1.694 2.909 5.170 911 HG LEU 114 HG LEU 114 1.770 -0.043 5.404 912 HD11 LEU 114 1HD1 LEU 114 -0.338 1.325 3.747 913 HD12 LEU 114 2HD1 LEU 114 -0.660 0.541 5.293 914 HD13 LEU 114 3HD1 LEU 114 -0.064 -0.407 3.931 915 HD21 LEU 114 3HD2 LEU 114 3.327 0.740 3.904 916 HD22 LEU 114 1HD2 LEU 114 2.295 2.062 3.356 917 HD23 LEU 114 2HD2 LEU 114 1.962 0.410 2.836 918 H ARG 115 H ARG 115 3.933 3.586 5.546 919 HA ARG 115 HA ARG 115 5.733 1.825 4.332 920 HB2 ARG 115 1HB ARG 115 5.380 4.093 3.513 921 HB3 ARG 115 2HB ARG 115 6.068 4.757 4.989 922 HG2 ARG 115 1HG ARG 115 8.196 3.504 4.366 923 HG3 ARG 115 2HG ARG 115 7.460 3.290 2.775 924 HD2 ARG 115 1HD ARG 115 8.619 5.232 2.427 925 HD3 ARG 115 2HD ARG 115 7.075 5.885 2.972 926 HE ARG 115 HE ARG 115 8.990 5.444 5.081 927 HH11 ARG 115 1HH1 ARG 115 7.790 7.675 2.693 928 HH12 ARG 115 2HH1 ARG 115 8.370 9.080 3.525 929 HH21 ARG 115 1HH2 ARG 115 9.758 7.286 6.185 930 HH22 ARG 115 2HH2 ARG 115 9.490 8.857 5.511 931 H GLN 116 H GLN 116 6.091 3.792 7.270 932 HA GLN 116 HA GLN 116 8.694 3.288 7.935 933 HB2 GLN 116 1HB GLN 116 6.227 3.698 9.571 934 HB3 GLN 116 2HB GLN 116 7.721 3.255 10.385 935 HG2 GLN 116 1HG GLN 116 8.801 5.217 9.728 936 HG3 GLN 116 2HG GLN 116 7.607 5.559 8.476 937 HE21 GLN 116 1HE2 GLN 116 8.121 5.411 11.950 938 HE22 GLN 116 2HE2 GLN 116 6.888 6.546 12.369 939 H ARG 117 H ARG 117 5.954 1.122 8.203 940 HA ARG 117 HA ARG 117 7.322 -0.854 9.756 941 HB2 ARG 117 1HB ARG 117 4.698 -0.644 8.375 942 HB3 ARG 117 2HB ARG 117 5.311 -2.261 8.690 943 HG2 ARG 117 1HG ARG 117 3.911 -1.676 10.506 944 HG3 ARG 117 2HG ARG 117 5.574 -1.593 11.091 945 HD2 ARG 117 1HD ARG 117 4.357 0.882 9.986 946 HD3 ARG 117 2HD ARG 117 3.813 0.331 11.570 947 HE ARG 117 HE ARG 117 6.226 1.651 11.020 948 HH11 ARG 117 1HH1 ARG 117 5.012 -1.051 12.848 949 HH12 ARG 117 2HH1 ARG 117 6.244 -0.951 14.062 950 HH21 ARG 117 1HH2 ARG 117 7.854 1.793 12.612 951 HH22 ARG 117 2HH2 ARG 117 7.860 0.667 13.927 952 H LEU 118 H LEU 118 6.368 -0.645 6.331 953 HA LEU 118 HA LEU 118 7.247 -2.984 5.315 954 HB2 LEU 118 1HB LEU 118 7.633 -0.224 4.178 955 HB3 LEU 118 2HB LEU 118 7.944 -1.701 3.267 956 HG LEU 118 HG LEU 118 5.283 -0.777 4.345 957 HD11 LEU 118 1HD1 LEU 118 5.305 -1.262 1.553 958 HD12 LEU 118 2HD1 LEU 118 6.674 -0.220 1.936 959 HD13 LEU 118 3HD1 LEU 118 5.043 0.260 2.404 960 HD21 LEU 118 3HD2 LEU 118 4.415 -2.741 3.053 961 HD22 LEU 118 1HD2 LEU 118 5.327 -3.152 4.506 962 HD23 LEU 118 2HD2 LEU 118 6.081 -3.307 2.919 963 H GLU 119 H GLU 119 9.322 -0.184 6.010 964 HA GLU 119 HA GLU 119 11.735 -1.311 5.139 965 HB2 GLU 119 1HB GLU 119 11.017 0.895 7.029 966 HB3 GLU 119 2HB GLU 119 12.685 0.349 6.945 967 HG2 GLU 119 1HG GLU 119 12.479 0.707 4.421 968 HG3 GLU 119 2HG GLU 119 11.020 1.620 4.805 969 H GLU 120 H GLU 120 10.106 -1.424 8.270 970 HA GLU 120 HA GLU 120 12.164 -2.633 9.742 971 HB2 GLU 120 1HB GLU 120 10.171 -1.623 10.771 972 HB3 GLU 120 2HB GLU 120 9.175 -2.908 10.104 973 HG2 GLU 120 1HG GLU 120 10.833 -4.454 11.413 974 HG3 GLU 120 2HG GLU 120 11.122 -2.990 12.351 975 H ARG 121 H ARG 121 9.509 -4.047 7.865 976 HA ARG 121 HA ARG 121 10.173 -6.744 8.491 977 HB2 ARG 121 1HB ARG 121 8.488 -5.525 6.302 978 HB3 ARG 121 2HB ARG 121 8.666 -7.260 6.530 979 HG2 ARG 121 1HG ARG 121 7.908 -6.669 8.984 980 HG3 ARG 121 2HG ARG 121 7.205 -5.267 8.175 981 HD2 ARG 121 1HD ARG 121 5.711 -6.531 6.985 982 HD3 ARG 121 2HD ARG 121 6.749 -7.956 6.991 983 HE ARG 121 HE ARG 121 4.699 -7.365 8.841 984 HH11 ARG 121 1HH1 ARG 121 7.914 -8.688 8.664 985 HH12 ARG 121 2HH1 ARG 121 7.717 -9.695 10.060 986 HH21 ARG 121 1HH2 ARG 121 4.427 -8.688 10.679 987 HH22 ARG 121 2HH2 ARG 121 5.733 -9.695 11.204 988 H GLN 122 H GLN 122 11.008 -4.543 5.874 989 HA GLN 122 HA GLN 122 12.098 -6.255 4.022 990 HB2 GLN 122 1HB GLN 122 11.955 -3.945 3.490 991 HB3 GLN 122 2HB GLN 122 12.950 -3.491 4.868 992 HG2 GLN 122 1HG GLN 122 14.319 -3.253 2.979 993 HG3 GLN 122 2HG GLN 122 14.837 -4.746 3.761 994 HE21 GLN 122 1HE2 GLN 122 13.383 -3.325 0.979 995 HE22 GLN 122 2HE2 GLN 122 13.316 -4.757 0.015 996 H ARG 123 H ARG 123 14.053 -4.529 6.458 997 HA ARG 123 HA ARG 123 16.248 -6.344 6.117 998 HB2 ARG 123 1HB ARG 123 17.462 -4.914 7.461 999 HB3 ARG 123 2HB ARG 123 16.250 -3.818 6.812 1000 HG2 ARG 123 1HG ARG 123 14.914 -4.397 8.942 1001 HG3 ARG 123 2HG ARG 123 16.460 -4.984 9.556 1002 HD2 ARG 123 1HD ARG 123 16.355 -2.284 8.308 1003 HD3 ARG 123 2HD ARG 123 15.683 -2.488 9.925 1004 HE ARG 123 HE ARG 123 17.811 -2.772 10.749 1005 HH11 ARG 123 1HH1 ARG 123 17.869 -2.903 7.271 1006 HH12 ARG 123 2HH1 ARG 123 19.597 -2.847 7.167 1007 HH21 ARG 123 1HH2 ARG 123 20.088 -2.697 10.626 1008 HH22 ARG 123 2HH2 ARG 123 20.859 -2.731 9.076 1009 H ARG 124 H ARG 124 17.296 -7.129 8.314 1010 HA ARG 124 HA ARG 124 15.448 -8.050 10.303 1011 HB2 ARG 124 1HB ARG 124 15.759 -10.451 9.893 1012 HB3 ARG 124 2HB ARG 124 14.952 -9.665 8.543 1013 HG2 ARG 124 1HG ARG 124 17.186 -9.550 7.404 1014 HG3 ARG 124 2HG ARG 124 17.811 -10.577 8.696 1015 HD2 ARG 124 1HD ARG 124 17.225 -11.949 6.805 1016 HD3 ARG 124 2HD ARG 124 16.100 -12.268 8.125 1017 HE ARG 124 HE ARG 124 14.783 -10.413 6.709 1018 HH11 ARG 124 1HH1 ARG 124 16.402 -13.345 5.759 1019 HH12 ARG 124 2HH1 ARG 124 15.355 -13.639 4.410 1020 HH21 ARG 124 1HH2 ARG 124 13.399 -10.790 4.936 1021 HH22 ARG 124 2HH2 ARG 124 13.648 -12.185 3.942 1022 H ARG 125 H ARG 125 16.646 -9.756 11.750 1023 HA ARG 125 HA ARG 125 19.389 -8.754 12.121 1024 HB2 ARG 125 1HB ARG 125 18.019 -8.177 13.998 1025 HB3 ARG 125 2HB ARG 125 17.372 -9.809 14.102 1026 HG2 ARG 125 1HG ARG 125 18.956 -9.490 15.864 1027 HG3 ARG 125 2HG ARG 125 19.638 -10.619 14.691 1028 HD2 ARG 125 1HD ARG 125 21.105 -8.998 13.826 1029 HD3 ARG 125 2HD ARG 125 20.225 -7.676 14.592 1030 HE ARG 125 HE ARG 125 22.304 -9.239 15.748 1031 HH11 ARG 125 1HH1 ARG 125 19.357 -7.538 16.485 1032 HH12 ARG 125 2HH1 ARG 125 19.790 -7.236 18.135 1033 HH21 ARG 125 1HH2 ARG 125 22.885 -8.848 17.919 1034 HH22 ARG 125 2HH2 ARG 125 21.798 -7.981 18.949 1035 H LYS 126 H LYS 126 20.909 -10.131 11.510 1036 HA LYS 126 HA LYS 126 20.415 -12.892 11.038 1037 HB2 LYS 126 1HB LYS 126 22.110 -11.454 9.840 1038 HB3 LYS 126 2HB LYS 126 23.108 -11.547 11.286 1039 HG2 LYS 126 1HG LYS 126 24.010 -13.235 10.045 1040 HG3 LYS 126 2HG LYS 126 22.793 -14.129 10.958 1041 HD2 LYS 126 1HD LYS 126 22.297 -12.987 8.215 1042 HD3 LYS 126 2HD LYS 126 22.887 -14.628 8.489 1043 HE2 LYS 126 1HE LYS 126 20.817 -14.771 10.089 1044 HE3 LYS 126 2HE LYS 126 20.222 -13.434 9.107 1045 HZ1 LYS 126 3HZ LYS 126 19.409 -15.277 8.015 1046 HZ2 LYS 126 1HZ LYS 126 20.791 -16.209 8.303 1047 HZ3 LYS 126 2HZ LYS 126 20.831 -14.972 7.151 1048 H GLN 127 H GLN 127 20.671 -14.615 12.323 1049 HA GLN 127 HA GLN 127 21.278 -14.192 15.108 1050 HB2 GLN 127 1HB GLN 127 20.372 -16.547 13.482 1051 HB3 GLN 127 2HB GLN 127 20.920 -16.762 15.139 1052 HG2 GLN 127 1HG GLN 127 19.211 -15.106 15.853 1053 HG3 GLN 127 2HG GLN 127 18.611 -15.081 14.196 1054 HE21 GLN 127 1HE2 GLN 127 18.170 -16.401 17.169 1055 HE22 GLN 127 2HE2 GLN 127 17.306 -17.831 16.727 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -6.580 28.953 16.752 2 HA2 GLY 1 1HA GLY 1 -5.517 30.910 14.846 3 HA3 GLY 1 2HA GLY 1 -5.602 31.107 16.590 4 H SER 2 H SER 2 -3.399 31.795 16.545 5 HA SER 2 HA SER 2 -1.488 29.584 16.162 6 HB2 SER 2 1HB SER 2 0.229 31.311 15.741 7 HB3 SER 2 2HB SER 2 -1.096 31.412 14.581 8 HG SER 2 HG SER 2 -1.857 33.204 15.595 9 H SER 3 H SER 3 -0.332 28.938 17.866 10 HA SER 3 HA SER 3 -0.510 30.544 20.328 11 HB2 SER 3 1HB SER 3 -0.089 27.562 20.014 12 HB3 SER 3 2HB SER 3 -0.161 28.426 21.550 13 HG SER 3 HG SER 3 -2.199 27.756 19.782 14 H GLY 4 H GLY 4 1.331 30.732 21.670 15 HA2 GLY 4 1HA GLY 4 3.773 31.063 20.250 16 HA3 GLY 4 2HA GLY 4 3.553 31.236 21.985 17 H SER 5 H SER 5 3.929 28.814 19.423 18 HA SER 5 HA SER 5 5.402 27.149 21.352 19 HB2 SER 5 1HB SER 5 4.432 25.137 20.392 20 HB3 SER 5 2HB SER 5 3.138 26.206 20.931 21 HG SER 5 HG SER 5 3.553 26.911 18.484 22 H SER 6 H SER 6 7.197 26.079 20.576 23 HA SER 6 HA SER 6 8.212 27.071 18.024 24 HB2 SER 6 1HB SER 6 9.538 25.703 20.367 25 HB3 SER 6 2HB SER 6 10.380 26.032 18.853 26 HG SER 6 HG SER 6 9.638 28.290 19.232 27 H GLY 7 H GLY 7 6.178 25.199 17.760 28 HA2 GLY 7 1HA GLY 7 5.854 23.451 16.248 29 HA3 GLY 7 2HA GLY 7 7.584 23.142 16.271 30 H MET 8 H MET 8 4.524 22.492 17.811 31 HA MET 8 HA MET 8 5.437 19.955 18.741 32 HB2 MET 8 1HB MET 8 5.103 20.322 21.136 33 HB3 MET 8 2HB MET 8 6.385 21.354 20.516 34 HG2 MET 8 1HG MET 8 4.510 23.125 20.291 35 HG3 MET 8 2HG MET 8 3.637 22.090 21.419 36 HE1 MET 8 3HE MET 8 4.557 23.625 24.567 37 HE2 MET 8 1HE MET 8 3.337 23.106 23.404 38 HE3 MET 8 2HE MET 8 4.397 21.916 24.160 39 H ALA 9 H ALA 9 3.736 18.616 19.464 40 HA ALA 9 HA ALA 9 1.615 17.791 19.222 41 HB1 ALA 9 3HB ALA 9 0.998 18.529 21.267 42 HB2 ALA 9 1HB ALA 9 1.449 20.199 20.922 43 HB3 ALA 9 2HB ALA 9 -0.079 19.555 20.321 44 H SER 10 H SER 10 2.417 18.843 16.845 45 HA SER 10 HA SER 10 -0.074 20.024 15.823 46 HB2 SER 10 1HB SER 10 1.653 21.783 15.934 47 HB3 SER 10 2HB SER 10 2.722 20.789 14.945 48 HG SER 10 HG SER 10 1.298 20.993 13.239 49 H SER 11 H SER 11 -0.766 19.292 13.839 50 HA SER 11 HA SER 11 -0.214 16.701 13.085 51 HB2 SER 11 1HB SER 11 -1.276 18.978 11.399 52 HB3 SER 11 2HB SER 11 -1.305 17.286 10.905 53 HG SER 11 HG SER 11 -2.806 16.856 12.388 54 H VAL 12 H VAL 12 0.544 16.105 10.764 55 HA VAL 12 HA VAL 12 3.297 16.443 10.614 56 HB VAL 12 HB VAL 12 1.445 15.760 8.327 57 HG11 VAL 12 1HG1 VAL 12 3.239 15.291 7.072 58 HG12 VAL 12 2HG1 VAL 12 4.123 16.304 8.214 59 HG13 VAL 12 3HG1 VAL 12 4.104 14.552 8.419 60 HG21 VAL 12 3HG2 VAL 12 1.366 14.391 10.537 61 HG22 VAL 12 1HG2 VAL 12 1.469 13.546 8.992 62 HG23 VAL 12 2HG2 VAL 12 2.913 13.750 9.984 63 H ASP 13 H ASP 13 4.599 17.962 9.805 64 HA ASP 13 HA ASP 13 3.552 20.451 8.926 65 HB2 ASP 13 1HB ASP 13 6.391 19.411 8.791 66 HB3 ASP 13 2HB ASP 13 5.901 21.092 8.599 67 H GLU 14 H GLU 14 4.333 21.517 6.875 68 HA GLU 14 HA GLU 14 3.390 20.059 4.648 69 HB2 GLU 14 1HB GLU 14 4.898 22.669 4.833 70 HB3 GLU 14 2HB GLU 14 4.250 22.026 3.330 71 HG2 GLU 14 1HG GLU 14 2.008 21.950 4.643 72 HG3 GLU 14 2HG GLU 14 2.806 23.111 5.702 73 H GLU 15 H GLU 15 6.662 21.095 5.580 74 HA GLU 15 HA GLU 15 8.090 20.161 3.420 75 HB2 GLU 15 1HB GLU 15 10.008 19.936 4.967 76 HB3 GLU 15 2HB GLU 15 9.143 21.452 5.175 77 HG2 GLU 15 1HG GLU 15 8.026 20.577 7.140 78 HG3 GLU 15 2HG GLU 15 8.820 19.019 6.917 79 H ALA 16 H ALA 16 7.096 18.360 6.311 80 HA ALA 16 HA ALA 16 8.353 15.954 5.868 81 HB1 ALA 16 3HB ALA 16 6.945 15.053 7.434 82 HB2 ALA 16 1HB ALA 16 6.729 16.772 7.765 83 HB3 ALA 16 2HB ALA 16 5.529 15.900 6.810 84 H LEU 17 H LEU 17 5.086 16.846 4.742 85 HA LEU 17 HA LEU 17 4.265 14.671 3.412 86 HB2 LEU 17 1HB LEU 17 4.184 17.527 2.471 87 HB3 LEU 17 2HB LEU 17 3.330 16.224 1.648 88 HG LEU 17 HG LEU 17 2.849 16.848 4.548 89 HD11 LEU 17 1HD1 LEU 17 2.200 18.490 2.285 90 HD12 LEU 17 2HD1 LEU 17 1.891 18.770 3.999 91 HD13 LEU 17 3HD1 LEU 17 0.729 17.865 3.030 92 HD21 LEU 17 3HD2 LEU 17 0.987 15.510 4.354 93 HD22 LEU 17 1HD2 LEU 17 2.117 14.686 3.280 94 HD23 LEU 17 2HD2 LEU 17 0.871 15.737 2.608 95 H HIS 18 H HIS 18 6.389 17.106 1.897 96 HA HIS 18 HA HIS 18 6.858 15.963 -0.523 97 HB2 HIS 18 1HB HIS 18 7.831 18.106 0.157 98 HB3 HIS 18 2HB HIS 18 8.929 17.273 1.253 99 HD1 HIS 18 1HD HIS 18 10.949 18.287 -0.049 100 HD2 HIS 18 2HD HIS 18 8.534 15.759 -2.294 101 HE1 HIS 18 1HE HIS 18 12.271 17.761 -2.123 102 HE2 HIS 18 2HE HIS 18 10.755 16.299 -3.505 103 H GLN 19 H GLN 19 8.810 15.307 2.392 104 HA GLN 19 HA GLN 19 10.546 13.441 1.469 105 HB2 GLN 19 1HB GLN 19 9.040 13.413 4.087 106 HB3 GLN 19 2HB GLN 19 10.417 12.376 3.740 107 HG2 GLN 19 1HG GLN 19 10.361 15.364 4.001 108 HG3 GLN 19 2HG GLN 19 11.251 14.194 4.975 109 HE21 GLN 19 1HE2 GLN 19 11.284 16.188 2.224 110 HE22 GLN 19 2HE2 GLN 19 12.833 15.726 1.614 111 H LEU 20 H LEU 20 7.171 12.863 2.370 112 HA LEU 20 HA LEU 20 7.234 10.062 1.929 113 HB2 LEU 20 1HB LEU 20 5.509 10.877 3.300 114 HB3 LEU 20 2HB LEU 20 5.026 12.086 2.112 115 HG LEU 20 HG LEU 20 4.478 9.899 0.694 116 HD11 LEU 20 1HD1 LEU 20 3.389 8.275 2.307 117 HD12 LEU 20 2HD1 LEU 20 4.355 9.038 3.570 118 HD13 LEU 20 3HD1 LEU 20 5.150 8.235 2.217 119 HD21 LEU 20 3HD2 LEU 20 2.930 11.537 2.606 120 HD22 LEU 20 1HD2 LEU 20 2.169 10.049 2.040 121 HD23 LEU 20 2HD2 LEU 20 2.688 11.271 0.878 122 H TYR 21 H TYR 21 6.441 12.828 -0.106 123 HA TYR 21 HA TYR 21 5.372 11.429 -2.289 124 HB2 TYR 21 1HB TYR 21 6.632 14.116 -1.929 125 HB3 TYR 21 2HB TYR 21 6.339 13.528 -3.561 126 HD1 TYR 21 1HD TYR 21 4.478 13.685 -0.315 127 HD2 TYR 21 2HD TYR 21 4.379 14.237 -4.533 128 HE1 TYR 21 1HE TYR 21 2.140 14.432 -0.157 129 HE2 TYR 21 2HE TYR 21 2.041 14.986 -4.386 130 HH TYR 21 HH TYR 21 0.057 14.433 -2.367 131 H LEU 22 H LEU 22 8.663 12.020 -1.290 132 HA LEU 22 HA LEU 22 9.919 11.345 -3.741 133 HB2 LEU 22 1HB LEU 22 11.008 11.155 -0.937 134 HB3 LEU 22 2HB LEU 22 11.957 11.143 -2.422 135 HG LEU 22 HG LEU 22 10.230 13.493 -1.730 136 HD11 LEU 22 1HD1 LEU 22 13.099 13.538 -0.993 137 HD12 LEU 22 2HD1 LEU 22 11.992 12.696 0.091 138 HD13 LEU 22 3HD1 LEU 22 11.731 14.399 -0.287 139 HD21 LEU 22 3HD2 LEU 22 12.663 14.205 -2.934 140 HD22 LEU 22 1HD2 LEU 22 11.056 14.212 -3.660 141 HD23 LEU 22 2HD2 LEU 22 12.081 12.783 -3.802 142 H TRP 23 H TRP 23 9.537 9.482 -0.723 143 HA TRP 23 HA TRP 23 10.644 7.107 -1.380 144 HB2 TRP 23 1HB TRP 23 9.745 7.134 0.753 145 HB3 TRP 23 2HB TRP 23 8.204 7.790 0.208 146 HD1 TRP 23 HD TRP 23 10.100 4.466 -0.520 147 HE1 TRP 23 1HE TRP 23 8.409 2.538 -0.302 148 HE3 TRP 23 3HE TRP 23 5.938 7.172 0.701 149 HZ2 TRP 23 2HZ TRP 23 5.672 2.208 0.306 150 HZ3 TRP 23 3HZ TRP 23 3.823 5.974 1.083 151 HH2 TRP 23 HH TRP 23 3.695 3.544 0.889 152 H VAL 24 H VAL 24 7.271 7.983 -2.142 153 HA VAL 24 HA VAL 24 6.759 5.655 -3.673 154 HB VAL 24 HB VAL 24 5.356 8.330 -3.759 155 HG11 VAL 24 1HG1 VAL 24 5.044 5.958 -5.342 156 HG12 VAL 24 2HG1 VAL 24 3.593 6.237 -4.377 157 HG13 VAL 24 3HG1 VAL 24 4.192 7.498 -5.457 158 HG21 VAL 24 3HG2 VAL 24 3.729 7.270 -2.254 159 HG22 VAL 24 1HG2 VAL 24 4.746 5.831 -2.183 160 HG23 VAL 24 2HG2 VAL 24 5.334 7.360 -1.529 161 H ASP 25 H ASP 25 7.321 9.029 -4.685 162 HA ASP 25 HA ASP 25 7.249 8.872 -7.369 163 HB2 ASP 25 1HB ASP 25 7.823 10.976 -6.576 164 HB3 ASP 25 2HB ASP 25 9.106 10.351 -5.544 165 H ASN 26 H ASN 26 9.875 7.673 -5.337 166 HA ASN 26 HA ASN 26 11.650 6.985 -7.414 167 HB2 ASN 26 1HB ASN 26 12.373 7.154 -5.081 168 HB3 ASN 26 2HB ASN 26 11.361 5.777 -4.654 169 HD21 ASN 26 1HD2 ASN 26 11.820 3.774 -5.994 170 HD22 ASN 26 2HD2 ASN 26 13.486 3.393 -6.248 171 H ILE 27 H ILE 27 9.158 5.115 -5.721 172 HA ILE 27 HA ILE 27 9.637 2.655 -6.989 173 HB ILE 27 HB ILE 27 7.000 3.691 -5.941 174 HG12 ILE 27 1HG1 ILE 27 8.867 1.889 -4.433 175 HG13 ILE 27 2HG1 ILE 27 9.111 3.632 -4.402 176 HG21 ILE 27 1HG2 ILE 27 7.566 0.838 -5.740 177 HG22 ILE 27 2HG2 ILE 27 6.120 1.670 -6.309 178 HG23 ILE 27 3HG2 ILE 27 7.480 1.420 -7.403 179 HD11 ILE 27 3HD1 ILE 27 7.632 3.772 -2.772 180 HD12 ILE 27 1HD1 ILE 27 6.386 3.185 -3.872 181 HD13 ILE 27 2HD1 ILE 27 7.301 2.044 -2.887 182 HA PRO 28 HA PRO 28 8.238 3.711 -11.084 183 HB2 PRO 28 1HB PRO 28 8.580 1.233 -12.140 184 HB3 PRO 28 2HB PRO 28 9.922 2.344 -11.842 185 HG2 PRO 28 1HG PRO 28 8.971 0.036 -10.190 186 HG3 PRO 28 2HG PRO 28 10.630 0.510 -10.600 187 HD2 PRO 28 1HD PRO 28 9.500 1.081 -8.206 188 HD3 PRO 28 2HD PRO 28 10.698 2.142 -8.973 189 H LEU 29 H LEU 29 6.040 4.016 -10.216 190 HA LEU 29 HA LEU 29 4.278 1.728 -10.156 191 HB2 LEU 29 1HB LEU 29 3.790 4.687 -9.884 192 HB3 LEU 29 2HB LEU 29 2.514 3.475 -9.792 193 HG LEU 29 HG LEU 29 4.868 3.607 -7.910 194 HD11 LEU 29 1HD1 LEU 29 3.785 5.061 -6.615 195 HD12 LEU 29 2HD1 LEU 29 2.241 4.237 -6.833 196 HD13 LEU 29 3HD1 LEU 29 2.792 5.408 -8.031 197 HD21 LEU 29 3HD2 LEU 29 3.645 2.026 -6.588 198 HD22 LEU 29 1HD2 LEU 29 3.779 1.391 -8.228 199 HD23 LEU 29 2HD2 LEU 29 2.263 2.107 -7.682 200 H SER 30 H SER 30 3.663 0.826 -12.005 201 HA SER 30 HA SER 30 3.653 2.206 -14.497 202 HB2 SER 30 1HB SER 30 2.407 -0.465 -13.806 203 HB3 SER 30 2HB SER 30 2.771 0.128 -15.426 204 HG SER 30 HG SER 30 5.019 0.264 -14.609 205 H ARG 31 H ARG 31 2.259 3.999 -13.969 206 HA ARG 31 HA ARG 31 -0.572 3.310 -14.335 207 HB2 ARG 31 1HB ARG 31 0.617 5.117 -12.248 208 HB3 ARG 31 2HB ARG 31 -1.031 5.353 -12.813 209 HG2 ARG 31 1HG ARG 31 -0.134 2.677 -11.827 210 HG3 ARG 31 2HG ARG 31 -0.616 3.944 -10.696 211 HD2 ARG 31 1HD ARG 31 -2.585 2.754 -11.050 212 HD3 ARG 31 2HD ARG 31 -2.736 4.132 -12.139 213 HE ARG 31 HE ARG 31 -2.673 2.690 -13.915 214 HH11 ARG 31 1HH1 ARG 31 -1.556 1.037 -11.062 215 HH12 ARG 31 2HH1 ARG 31 -1.507 -0.518 -11.823 216 HH21 ARG 31 1HH2 ARG 31 -2.612 0.647 -14.929 217 HH22 ARG 31 2HH2 ARG 31 -2.107 -0.739 -14.023 218 HA PRO 32 HA PRO 32 -0.554 6.359 -17.494 219 HB2 PRO 32 1HB PRO 32 -3.128 7.218 -17.393 220 HB3 PRO 32 2HB PRO 32 -2.668 5.635 -18.031 221 HG2 PRO 32 1HG PRO 32 -3.741 6.349 -15.330 222 HG3 PRO 32 2HG PRO 32 -4.169 4.986 -16.379 223 HD2 PRO 32 1HD PRO 32 -2.491 4.730 -14.270 224 HD3 PRO 32 2HD PRO 32 -2.326 3.756 -15.745 225 H LYS 33 H LYS 33 -1.899 8.687 -17.738 226 HA LYS 33 HA LYS 33 -0.576 10.365 -15.761 227 HB2 LYS 33 1HB LYS 33 -1.944 10.975 -18.382 228 HB3 LYS 33 2HB LYS 33 -1.314 12.223 -17.315 229 HG2 LYS 33 1HG LYS 33 0.458 11.986 -18.716 230 HG3 LYS 33 2HG LYS 33 0.888 10.781 -17.500 231 HD2 LYS 33 1HD LYS 33 -0.517 9.191 -19.057 232 HD3 LYS 33 2HD LYS 33 -0.128 10.405 -20.278 233 HE2 LYS 33 1HE LYS 33 1.533 8.657 -20.329 234 HE3 LYS 33 2HE LYS 33 2.266 10.142 -19.723 235 HZ1 LYS 33 3HZ LYS 33 2.749 9.173 -17.797 236 HZ2 LYS 33 1HZ LYS 33 2.367 7.695 -18.526 237 HZ3 LYS 33 2HZ LYS 33 1.198 8.520 -17.624 238 H ARG 34 H ARG 34 -1.639 10.952 -13.995 239 HA ARG 34 HA ARG 34 -4.151 12.244 -14.076 240 HB2 ARG 34 1HB ARG 34 -4.596 9.639 -14.280 241 HB3 ARG 34 2HB ARG 34 -4.374 9.699 -12.537 242 HG2 ARG 34 1HG ARG 34 -6.678 9.906 -12.860 243 HG3 ARG 34 2HG ARG 34 -6.119 11.549 -12.539 244 HD2 ARG 34 1HD ARG 34 -7.610 11.711 -14.363 245 HD3 ARG 34 2HD ARG 34 -5.990 11.858 -15.043 246 HE ARG 34 HE ARG 34 -6.854 9.162 -15.097 247 HH11 ARG 34 1HH1 ARG 34 -7.325 12.231 -16.672 248 HH12 ARG 34 2HH1 ARG 34 -7.787 11.530 -18.187 249 HH21 ARG 34 1HH2 ARG 34 -7.461 8.227 -17.087 250 HH22 ARG 34 2HH2 ARG 34 -7.866 9.253 -18.422 251 H ASN 35 H ASN 35 -4.900 12.887 -11.918 252 HA ASN 35 HA ASN 35 -2.911 13.920 -10.324 253 HB2 ASN 35 1HB ASN 35 -5.723 13.155 -9.508 254 HB3 ASN 35 2HB ASN 35 -4.660 14.214 -8.587 255 HD21 ASN 35 1HD2 ASN 35 -3.830 16.128 -9.796 256 HD22 ASN 35 2HD2 ASN 35 -4.929 16.931 -10.859 257 H LEU 36 H LEU 36 -2.726 13.407 -7.873 258 HA LEU 36 HA LEU 36 -1.727 10.701 -7.683 259 HB2 LEU 36 1HB LEU 36 -1.527 13.178 -6.052 260 HB3 LEU 36 2HB LEU 36 -1.246 11.633 -5.253 261 HG LEU 36 HG LEU 36 0.549 11.162 -6.899 262 HD11 LEU 36 1HD1 LEU 36 1.159 12.586 -8.563 263 HD12 LEU 36 2HD1 LEU 36 0.602 14.018 -7.698 264 HD13 LEU 36 3HD1 LEU 36 -0.563 12.962 -8.498 265 HD21 LEU 36 3HD2 LEU 36 1.638 13.617 -5.949 266 HD22 LEU 36 1HD2 LEU 36 1.895 11.982 -5.340 267 HD23 LEU 36 2HD2 LEU 36 0.566 12.957 -4.714 268 H SER 37 H SER 37 -4.077 12.701 -5.908 269 HA SER 37 HA SER 37 -4.961 10.681 -4.168 270 HB2 SER 37 1HB SER 37 -5.383 13.145 -3.901 271 HB3 SER 37 2HB SER 37 -6.598 13.019 -5.174 272 HG SER 37 HG SER 37 -7.837 11.757 -3.876 273 H ARG 38 H ARG 38 -6.204 11.768 -7.307 274 HA ARG 38 HA ARG 38 -8.500 10.284 -7.510 275 HB2 ARG 38 1HB ARG 38 -6.480 11.205 -9.510 276 HB3 ARG 38 2HB ARG 38 -7.749 10.107 -10.036 277 HG2 ARG 38 1HG ARG 38 -9.442 11.686 -9.253 278 HG3 ARG 38 2HG ARG 38 -8.166 12.787 -8.730 279 HD2 ARG 38 1HD ARG 38 -8.774 13.627 -10.810 280 HD3 ARG 38 2HD ARG 38 -7.351 12.650 -11.169 281 HE ARG 38 HE ARG 38 -8.667 11.324 -12.473 282 HH11 ARG 38 1HH1 ARG 38 -10.703 13.047 -10.236 283 HH12 ARG 38 2HH1 ARG 38 -12.180 12.461 -10.927 284 HH21 ARG 38 1HH2 ARG 38 -10.605 10.546 -13.392 285 HH22 ARG 38 2HH2 ARG 38 -12.123 11.038 -12.721 286 H ASP 39 H ASP 39 -5.182 9.198 -7.855 287 HA ASP 39 HA ASP 39 -6.031 6.521 -8.628 288 HB2 ASP 39 1HB ASP 39 -3.193 7.298 -8.028 289 HB3 ASP 39 2HB ASP 39 -3.794 6.077 -9.146 290 H PHE 40 H PHE 40 -3.829 7.817 -6.134 291 HA PHE 40 HA PHE 40 -3.463 5.697 -4.534 292 HB2 PHE 40 1HB PHE 40 -3.874 8.587 -3.912 293 HB3 PHE 40 2HB PHE 40 -3.792 7.451 -2.569 294 HD1 PHE 40 1HD PHE 40 -1.763 5.732 -2.765 295 HD2 PHE 40 2HD PHE 40 -1.922 9.579 -4.579 296 HE1 PHE 40 1HE PHE 40 0.695 5.779 -2.873 297 HE2 PHE 40 2HE PHE 40 0.535 9.631 -4.691 298 HZ PHE 40 HZ PHE 40 1.847 7.730 -3.838 299 H SER 41 H SER 41 -6.389 7.691 -4.567 300 HA SER 41 HA SER 41 -7.849 6.868 -2.490 301 HB2 SER 41 1HB SER 41 -9.848 7.178 -3.777 302 HB3 SER 41 2HB SER 41 -8.645 8.299 -4.414 303 HG SER 41 HG SER 41 -9.532 7.309 -6.164 304 H ASP 42 H ASP 42 -7.599 4.975 -5.498 305 HA ASP 42 HA ASP 42 -9.006 2.735 -4.429 306 HB2 ASP 42 1HB ASP 42 -8.707 3.408 -6.902 307 HB3 ASP 42 2HB ASP 42 -7.141 2.611 -6.788 308 H GLY 43 H GLY 43 -8.273 1.151 -3.173 309 HA2 GLY 43 1HA GLY 43 -5.697 1.138 -2.073 310 HA3 GLY 43 2HA GLY 43 -6.840 -0.194 -1.990 311 H VAL 44 H VAL 44 -7.070 -0.862 -4.666 312 HA VAL 44 HA VAL 44 -5.227 -2.733 -5.151 313 HB VAL 44 HB VAL 44 -6.411 -0.912 -7.249 314 HG11 VAL 44 1HG1 VAL 44 -4.449 -2.073 -8.121 315 HG12 VAL 44 2HG1 VAL 44 -5.112 -3.615 -7.578 316 HG13 VAL 44 3HG1 VAL 44 -5.929 -2.699 -8.845 317 HG21 VAL 44 3HG2 VAL 44 -7.792 -3.157 -7.507 318 HG22 VAL 44 1HG2 VAL 44 -7.352 -3.334 -5.808 319 HG23 VAL 44 2HG2 VAL 44 -8.252 -1.914 -6.343 320 H LEU 45 H LEU 45 -4.843 0.671 -6.089 321 HA LEU 45 HA LEU 45 -2.306 0.376 -7.286 322 HB2 LEU 45 1HB LEU 45 -3.690 2.306 -7.720 323 HB3 LEU 45 2HB LEU 45 -3.621 2.776 -6.023 324 HG LEU 45 HG LEU 45 -1.229 3.250 -6.255 325 HD11 LEU 45 1HD1 LEU 45 -0.194 3.267 -8.473 326 HD12 LEU 45 2HD1 LEU 45 -1.652 2.548 -9.156 327 HD13 LEU 45 3HD1 LEU 45 -0.685 1.642 -7.994 328 HD21 LEU 45 3HD2 LEU 45 -3.379 4.684 -7.429 329 HD22 LEU 45 1HD2 LEU 45 -1.958 4.888 -8.454 330 HD23 LEU 45 2HD2 LEU 45 -1.879 5.312 -6.743 331 H VAL 46 H VAL 46 -3.245 1.481 -4.035 332 HA VAL 46 HA VAL 46 -0.800 2.055 -2.953 333 HB VAL 46 HB VAL 46 -3.061 0.605 -1.567 334 HG11 VAL 46 1HG1 VAL 46 -0.858 0.511 -0.394 335 HG12 VAL 46 2HG1 VAL 46 -0.876 2.274 -0.334 336 HG13 VAL 46 3HG1 VAL 46 -2.124 1.350 0.502 337 HG21 VAL 46 3HG2 VAL 46 -2.574 3.510 -1.225 338 HG22 VAL 46 1HG2 VAL 46 -3.292 2.979 -2.746 339 HG23 VAL 46 2HG2 VAL 46 -4.088 2.606 -1.216 340 H ALA 47 H ALA 47 -2.350 -1.152 -3.010 341 HA ALA 47 HA ALA 47 -0.496 -2.664 -1.701 342 HB1 ALA 47 3HB ALA 47 -1.971 -3.446 -4.212 343 HB2 ALA 47 1HB ALA 47 -1.213 -4.559 -3.074 344 HB3 ALA 47 2HB ALA 47 -2.583 -3.572 -2.563 345 H GLU 48 H GLU 48 -0.411 -1.792 -5.151 346 HA GLU 48 HA GLU 48 1.808 -3.139 -5.991 347 HB2 GLU 48 1HB GLU 48 1.152 -0.272 -6.693 348 HB3 GLU 48 2HB GLU 48 2.150 -1.369 -7.637 349 HG2 GLU 48 1HG GLU 48 -0.638 -2.179 -7.008 350 HG3 GLU 48 2HG GLU 48 -0.371 -0.941 -8.235 351 H VAL 49 H VAL 49 1.721 -0.126 -4.149 352 HA VAL 49 HA VAL 49 4.442 0.503 -4.229 353 HB VAL 49 HB VAL 49 2.420 1.037 -2.051 354 HG11 VAL 49 1HG1 VAL 49 4.756 1.134 -1.231 355 HG12 VAL 49 2HG1 VAL 49 5.103 2.350 -2.462 356 HG13 VAL 49 3HG1 VAL 49 3.937 2.694 -1.184 357 HG21 VAL 49 3HG2 VAL 49 2.960 3.411 -3.271 358 HG22 VAL 49 1HG2 VAL 49 3.062 2.285 -4.624 359 HG23 VAL 49 2HG2 VAL 49 1.590 2.370 -3.657 360 H ILE 50 H ILE 50 2.643 -1.689 -2.144 361 HA ILE 50 HA ILE 50 4.821 -2.204 -0.366 362 HB ILE 50 HB ILE 50 2.395 -3.937 -0.835 363 HG12 ILE 50 1HG1 ILE 50 2.562 -1.969 1.405 364 HG13 ILE 50 2HG1 ILE 50 2.141 -1.374 -0.198 365 HG21 ILE 50 1HG2 ILE 50 3.196 -5.233 0.777 366 HG22 ILE 50 2HG2 ILE 50 4.673 -4.270 0.778 367 HG23 ILE 50 3HG2 ILE 50 3.347 -3.851 1.862 368 HD11 ILE 50 3HD1 ILE 50 0.440 -3.420 -0.049 369 HD12 ILE 50 1HD1 ILE 50 0.601 -3.060 1.669 370 HD13 ILE 50 2HD1 ILE 50 0.060 -1.807 0.552 371 H LYS 51 H LYS 51 3.505 -3.789 -3.231 372 HA LYS 51 HA LYS 51 4.698 -6.207 -3.286 373 HB2 LYS 51 1HB LYS 51 3.367 -4.894 -5.124 374 HB3 LYS 51 2HB LYS 51 4.970 -4.493 -5.728 375 HG2 LYS 51 1HG LYS 51 4.097 -7.320 -5.214 376 HG3 LYS 51 2HG LYS 51 3.843 -6.503 -6.759 377 HD2 LYS 51 1HD LYS 51 6.539 -6.767 -5.437 378 HD3 LYS 51 2HD LYS 51 5.917 -7.920 -6.621 379 HE2 LYS 51 1HE LYS 51 7.116 -6.524 -7.987 380 HE3 LYS 51 2HE LYS 51 5.532 -5.752 -8.052 381 HZ1 LYS 51 3HZ LYS 51 7.849 -4.517 -7.405 382 HZ2 LYS 51 1HZ LYS 51 7.174 -4.821 -5.884 383 HZ3 LYS 51 2HZ LYS 51 6.303 -3.940 -7.035 384 H PHE 52 H PHE 52 6.303 -3.216 -4.379 385 HA PHE 52 HA PHE 52 8.755 -4.136 -5.082 386 HB2 PHE 52 1HB PHE 52 8.017 -1.744 -5.102 387 HB3 PHE 52 2HB PHE 52 8.336 -1.678 -3.372 388 HD1 PHE 52 1HD PHE 52 9.933 -2.259 -6.662 389 HD2 PHE 52 2HD PHE 52 10.488 -1.260 -2.562 390 HE1 PHE 52 1HE PHE 52 12.281 -1.686 -7.123 391 HE2 PHE 52 2HE PHE 52 12.837 -0.686 -3.016 392 HZ PHE 52 HZ PHE 52 13.736 -0.897 -5.299 393 H TYR 53 H TYR 53 7.546 -3.701 -1.803 394 HA TYR 53 HA TYR 53 10.079 -4.497 -0.633 395 HB2 TYR 53 1HB TYR 53 7.407 -3.742 0.548 396 HB3 TYR 53 2HB TYR 53 8.754 -4.308 1.529 397 HD1 TYR 53 1HD TYR 53 11.045 -3.008 1.011 398 HD2 TYR 53 2HD TYR 53 7.136 -1.464 0.352 399 HE1 TYR 53 1HE TYR 53 11.939 -0.719 1.112 400 HE2 TYR 53 2HE TYR 53 8.019 0.829 0.450 401 HH TYR 53 HH TYR 53 10.760 1.768 -0.042 402 H PHE 54 H PHE 54 6.835 -5.814 -1.082 403 HA PHE 54 HA PHE 54 7.904 -8.491 -0.632 404 HB2 PHE 54 1HB PHE 54 5.414 -7.504 0.774 405 HB3 PHE 54 2HB PHE 54 6.107 -9.119 0.882 406 HD1 PHE 54 1HD PHE 54 8.494 -9.300 1.823 407 HD2 PHE 54 2HD PHE 54 6.012 -5.876 2.305 408 HE1 PHE 54 1HE PHE 54 9.853 -8.590 3.747 409 HE2 PHE 54 2HE PHE 54 7.368 -5.160 4.229 410 HZ PHE 54 HZ PHE 54 9.292 -6.517 4.952 411 HA PRO 55 HA PRO 55 5.368 -8.673 -4.357 412 HB2 PRO 55 1HB PRO 55 6.447 -11.003 -5.239 413 HB3 PRO 55 2HB PRO 55 7.235 -9.436 -5.457 414 HG2 PRO 55 1HG PRO 55 7.749 -11.545 -3.395 415 HG3 PRO 55 2HG PRO 55 8.913 -10.579 -4.322 416 HD2 PRO 55 1HD PRO 55 8.250 -9.998 -1.762 417 HD3 PRO 55 2HD PRO 55 8.680 -8.746 -2.945 418 H LYS 56 H LYS 56 5.871 -11.150 -1.914 419 HA LYS 56 HA LYS 56 3.752 -12.854 -2.762 420 HB2 LYS 56 1HB LYS 56 5.242 -12.610 -0.148 421 HB3 LYS 56 2HB LYS 56 4.007 -13.827 -0.440 422 HG2 LYS 56 1HG LYS 56 5.317 -15.012 -1.895 423 HG3 LYS 56 2HG LYS 56 6.270 -13.600 -2.358 424 HD2 LYS 56 1HD LYS 56 7.729 -14.900 -1.061 425 HD3 LYS 56 2HD LYS 56 7.164 -13.638 0.036 426 HE2 LYS 56 1HE LYS 56 6.938 -15.516 1.348 427 HE3 LYS 56 2HE LYS 56 5.327 -15.389 0.644 428 HZ1 LYS 56 3HZ LYS 56 5.763 -17.121 -0.838 429 HZ2 LYS 56 1HZ LYS 56 6.428 -17.657 0.623 430 HZ3 LYS 56 2HZ LYS 56 7.436 -17.051 -0.593 431 H MET 57 H MET 57 4.041 -10.536 -0.069 432 HA MET 57 HA MET 57 1.612 -10.707 1.105 433 HB2 MET 57 1HB MET 57 3.054 -8.149 0.386 434 HB3 MET 57 2HB MET 57 1.761 -8.274 1.572 435 HG2 MET 57 1HG MET 57 4.190 -9.979 1.855 436 HG3 MET 57 2HG MET 57 4.249 -8.282 2.326 437 HE1 MET 57 3HE MET 57 1.496 -7.767 4.598 438 HE2 MET 57 1HE MET 57 3.075 -7.822 5.383 439 HE3 MET 57 2HE MET 57 2.923 -7.171 3.751 440 H VAL 58 H VAL 58 2.293 -8.728 -1.780 441 HA VAL 58 HA VAL 58 -0.406 -7.946 -2.174 442 HB VAL 58 HB VAL 58 1.794 -8.045 -4.241 443 HG11 VAL 58 1HG1 VAL 58 -0.956 -7.020 -4.203 444 HG12 VAL 58 2HG1 VAL 58 0.249 -5.894 -4.831 445 HG13 VAL 58 3HG1 VAL 58 0.064 -7.488 -5.563 446 HG21 VAL 58 3HG2 VAL 58 2.600 -6.022 -3.514 447 HG22 VAL 58 1HG2 VAL 58 1.079 -5.569 -2.746 448 HG23 VAL 58 2HG2 VAL 58 2.136 -6.752 -1.978 449 H GLU 59 H GLU 59 -2.049 -8.967 -3.127 450 HA GLU 59 HA GLU 59 -1.472 -11.288 -4.837 451 HB2 GLU 59 1HB GLU 59 -3.576 -11.160 -2.670 452 HB3 GLU 59 2HB GLU 59 -3.392 -12.474 -3.824 453 HG2 GLU 59 1HG GLU 59 -0.953 -12.551 -2.867 454 HG3 GLU 59 2HG GLU 59 -1.703 -11.750 -1.487 455 H MET 60 H MET 60 -1.881 -9.950 -6.642 456 HA MET 60 HA MET 60 -4.241 -8.437 -6.978 457 HB2 MET 60 1HB MET 60 -2.453 -9.645 -9.095 458 HB3 MET 60 2HB MET 60 -3.628 -8.362 -9.350 459 HG2 MET 60 1HG MET 60 -1.437 -8.011 -7.354 460 HG3 MET 60 2HG MET 60 -1.123 -7.781 -9.073 461 HE1 MET 60 3HE MET 60 -3.139 -5.131 -6.104 462 HE2 MET 60 1HE MET 60 -4.304 -6.354 -6.612 463 HE3 MET 60 2HE MET 60 -2.743 -6.843 -5.954 464 H HIS 61 H HIS 61 -3.388 -11.759 -7.808 465 HA HIS 61 HA HIS 61 -5.328 -12.603 -9.461 466 HB2 HIS 61 1HB HIS 61 -4.439 -14.004 -6.933 467 HB3 HIS 61 2HB HIS 61 -5.333 -14.777 -8.239 468 HD1 HIS 61 1HD HIS 61 -2.018 -14.428 -7.055 469 HD2 HIS 61 2HD HIS 61 -3.763 -14.404 -10.826 470 HE1 HIS 61 1HE HIS 61 -0.151 -14.929 -8.663 471 HE2 HIS 61 2HE HIS 61 -1.214 -14.826 -10.944 472 H ASN 62 H ASN 62 -5.802 -11.501 -6.201 473 HA ASN 62 HA ASN 62 -8.634 -12.269 -6.305 474 HB2 ASN 62 1HB ASN 62 -7.108 -11.183 -3.933 475 HB3 ASN 62 2HB ASN 62 -8.697 -11.944 -3.923 476 HD21 ASN 62 1HD2 ASN 62 -5.360 -12.411 -3.683 477 HD22 ASN 62 2HD2 ASN 62 -5.357 -14.139 -3.643 478 H TYR 63 H TYR 63 -6.757 -9.503 -5.055 479 HA TYR 63 HA TYR 63 -8.787 -7.646 -4.988 480 HB2 TYR 63 1HB TYR 63 -5.870 -7.182 -5.642 481 HB3 TYR 63 2HB TYR 63 -7.011 -5.921 -5.188 482 HD1 TYR 63 2HD TYR 63 -8.436 -6.822 -2.941 483 HD2 TYR 63 1HD TYR 63 -4.387 -7.654 -3.949 484 HE1 TYR 63 2HE TYR 63 -7.933 -7.217 -0.567 485 HE2 TYR 63 1HE TYR 63 -3.872 -8.052 -1.577 486 HH TYR 63 HH TYR 63 -6.400 -8.078 0.872 487 H VAL 64 H VAL 64 -9.693 -6.205 -6.406 488 HA VAL 64 HA VAL 64 -8.790 -6.195 -9.185 489 HB VAL 64 HB VAL 64 -11.519 -7.068 -8.277 490 HG11 VAL 64 1HG1 VAL 64 -11.834 -5.217 -9.855 491 HG12 VAL 64 2HG1 VAL 64 -10.804 -6.046 -11.024 492 HG13 VAL 64 3HG1 VAL 64 -12.345 -6.758 -10.543 493 HG21 VAL 64 3HG2 VAL 64 -10.902 -8.614 -10.372 494 HG22 VAL 64 1HG2 VAL 64 -9.274 -8.209 -9.828 495 HG23 VAL 64 2HG2 VAL 64 -10.404 -8.992 -8.724 496 HA PRO 65 HA PRO 65 -9.631 -1.888 -8.622 497 HB2 PRO 65 1HB PRO 65 -9.343 -1.137 -11.215 498 HB3 PRO 65 2HB PRO 65 -7.972 -1.530 -10.171 499 HG2 PRO 65 1HG PRO 65 -9.338 -3.229 -12.222 500 HG3 PRO 65 2HG PRO 65 -7.604 -3.035 -11.905 501 HD2 PRO 65 1HD PRO 65 -9.019 -5.163 -11.010 502 HD3 PRO 65 2HD PRO 65 -7.639 -4.490 -10.118 503 H ALA 66 H ALA 66 -11.590 -1.051 -8.320 504 HA ALA 66 HA ALA 66 -13.691 -1.619 -10.307 505 HB1 ALA 66 3HB ALA 66 -13.961 -1.030 -7.363 506 HB2 ALA 66 1HB ALA 66 -15.308 -1.234 -8.483 507 HB3 ALA 66 2HB ALA 66 -14.219 -2.583 -8.157 508 H ASN 67 H ASN 67 -15.464 0.133 -10.253 509 HA ASN 67 HA ASN 67 -14.195 2.790 -10.135 510 HB2 ASN 67 1HB ASN 67 -15.937 3.268 -12.053 511 HB3 ASN 67 2HB ASN 67 -14.382 2.528 -12.422 512 HD21 ASN 67 1HD2 ASN 67 -14.404 0.724 -13.554 513 HD22 ASN 67 2HD2 ASN 67 -15.769 -0.310 -13.785 514 H SER 68 H SER 68 -16.147 1.080 -8.424 515 HA SER 68 HA SER 68 -18.144 3.219 -8.070 516 HB2 SER 68 1HB SER 68 -18.529 0.246 -7.636 517 HB3 SER 68 2HB SER 68 -19.730 1.491 -7.291 518 HG SER 68 HG SER 68 -20.218 0.773 -9.298 519 H LEU 69 H LEU 69 -17.800 4.284 -6.247 520 HA LEU 69 HA LEU 69 -16.034 3.896 -4.281 521 HB2 LEU 69 1HB LEU 69 -17.375 5.851 -4.262 522 HB3 LEU 69 2HB LEU 69 -18.852 4.916 -4.037 523 HG LEU 69 HG LEU 69 -18.032 4.304 -1.760 524 HD11 LEU 69 1HD1 LEU 69 -16.109 6.551 -1.827 525 HD12 LEU 69 2HD1 LEU 69 -15.601 5.037 -2.574 526 HD13 LEU 69 3HD1 LEU 69 -16.089 5.063 -0.880 527 HD21 LEU 69 3HD2 LEU 69 -19.611 5.954 -1.632 528 HD22 LEU 69 1HD2 LEU 69 -18.677 7.079 -2.619 529 HD23 LEU 69 2HD2 LEU 69 -18.227 6.799 -0.937 530 H GLN 70 H GLN 70 -19.389 2.713 -3.967 531 HA GLN 70 HA GLN 70 -19.270 1.343 -1.644 532 HB2 GLN 70 1HB GLN 70 -20.969 -0.169 -2.509 533 HB3 GLN 70 2HB GLN 70 -21.275 1.471 -3.066 534 HG2 GLN 70 1HG GLN 70 -20.185 0.873 -5.220 535 HG3 GLN 70 2HG GLN 70 -20.084 -0.792 -4.650 536 HE21 GLN 70 1HE2 GLN 70 -22.452 1.822 -5.022 537 HE22 GLN 70 2HE2 GLN 70 -23.745 0.808 -5.554 538 H GLN 71 H GLN 71 -18.312 -0.017 -4.795 539 HA GLN 71 HA GLN 71 -17.434 -2.494 -3.829 540 HB2 GLN 71 1HB GLN 71 -17.834 -2.124 -6.193 541 HB3 GLN 71 2HB GLN 71 -16.542 -0.933 -6.258 542 HG2 GLN 71 1HG GLN 71 -15.963 -3.170 -7.192 543 HG3 GLN 71 2HG GLN 71 -14.879 -2.588 -5.929 544 HE21 GLN 71 1HE2 GLN 71 -14.176 -4.663 -5.446 545 HE22 GLN 71 2HE2 GLN 71 -15.167 -5.799 -4.601 546 H LYS 72 H LYS 72 -15.543 0.427 -4.598 547 HA LYS 72 HA LYS 72 -13.019 -0.367 -4.007 548 HB2 LYS 72 1HB LYS 72 -14.097 2.245 -2.963 549 HB3 LYS 72 2HB LYS 72 -12.472 1.895 -3.539 550 HG2 LYS 72 1HG LYS 72 -14.986 2.180 -5.156 551 HG3 LYS 72 2HG LYS 72 -13.528 3.173 -5.217 552 HD2 LYS 72 1HD LYS 72 -13.496 0.239 -5.874 553 HD3 LYS 72 2HD LYS 72 -13.859 1.469 -7.087 554 HE2 LYS 72 1HE LYS 72 -11.363 1.460 -5.399 555 HE3 LYS 72 2HE LYS 72 -11.463 0.732 -7.002 556 HZ1 LYS 72 3HZ LYS 72 -11.620 3.580 -6.256 557 HZ2 LYS 72 1HZ LYS 72 -12.293 3.038 -7.710 558 HZ3 LYS 72 2HZ LYS 72 -10.639 2.837 -7.417 559 H LEU 73 H LEU 73 -15.082 1.196 -1.549 560 HA LEU 73 HA LEU 73 -13.582 0.783 0.676 561 HB2 LEU 73 1HB LEU 73 -16.533 0.783 0.232 562 HB3 LEU 73 2HB LEU 73 -15.897 0.412 1.834 563 HG LEU 73 HG LEU 73 -15.209 2.945 0.361 564 HD11 LEU 73 1HD1 LEU 73 -17.668 2.200 1.787 565 HD12 LEU 73 2HD1 LEU 73 -17.383 3.465 0.592 566 HD13 LEU 73 3HD1 LEU 73 -16.943 3.730 2.279 567 HD21 LEU 73 3HD2 LEU 73 -14.044 3.506 2.184 568 HD22 LEU 73 1HD2 LEU 73 -14.107 1.791 2.589 569 HD23 LEU 73 2HD2 LEU 73 -15.290 2.903 3.278 570 H SER 74 H SER 74 -15.790 -1.560 -0.808 571 HA SER 74 HA SER 74 -15.688 -3.588 1.054 572 HB2 SER 74 1HB SER 74 -16.985 -3.438 -1.190 573 HB3 SER 74 2HB SER 74 -15.557 -4.203 -1.888 574 HG SER 74 HG SER 74 -16.481 -5.979 -1.249 575 H ASN 75 H ASN 75 -13.545 -3.243 -1.778 576 HA ASN 75 HA ASN 75 -11.849 -5.367 -1.243 577 HB2 ASN 75 1HB ASN 75 -11.283 -2.716 -2.580 578 HB3 ASN 75 2HB ASN 75 -10.142 -4.057 -2.563 579 HD21 ASN 75 1HD2 ASN 75 -10.957 -3.083 -4.934 580 HD22 ASN 75 2HD2 ASN 75 -12.015 -4.201 -5.720 581 H TRP 76 H TRP 76 -11.308 -1.943 -0.396 582 HA TRP 76 HA TRP 76 -8.970 -2.090 0.968 583 HB2 TRP 76 1HB TRP 76 -11.407 -0.416 1.297 584 HB3 TRP 76 2HB TRP 76 -10.207 -0.356 2.585 585 HD1 TRP 76 HD TRP 76 -10.804 0.735 -1.001 586 HE1 TRP 76 1HE TRP 76 -8.896 2.301 -1.731 587 HE3 TRP 76 3HE TRP 76 -7.668 0.111 2.989 588 HZ2 TRP 76 2HZ TRP 76 -6.392 3.157 -0.747 589 HZ3 TRP 76 3HZ TRP 76 -5.536 1.338 3.016 590 HH2 TRP 76 HH TRP 76 -4.913 2.829 1.186 591 H GLY 77 H GLY 77 -12.165 -2.966 2.222 592 HA2 GLY 77 1HA GLY 77 -11.563 -3.403 4.882 593 HA3 GLY 77 2HA GLY 77 -12.761 -4.320 3.980 594 H HIS 78 H HIS 78 -11.070 -5.607 2.152 595 HA HIS 78 HA HIS 78 -10.181 -7.790 3.736 596 HB2 HIS 78 1HB HIS 78 -11.019 -7.722 1.257 597 HB3 HIS 78 2HB HIS 78 -9.325 -7.415 0.886 598 HD1 HIS 78 1HD HIS 78 -8.410 -9.550 0.040 599 HD2 HIS 78 2HD HIS 78 -10.850 -10.119 3.354 600 HE1 HIS 78 1HE HIS 78 -8.266 -12.004 0.567 601 HE2 HIS 78 2HE HIS 78 -9.817 -12.340 2.523 602 H LEU 79 H LEU 79 -8.399 -5.471 1.695 603 HA LEU 79 HA LEU 79 -5.828 -6.329 2.250 604 HB2 LEU 79 1HB LEU 79 -6.535 -4.603 0.572 605 HB3 LEU 79 2HB LEU 79 -6.650 -3.452 1.903 606 HG LEU 79 HG LEU 79 -4.129 -4.222 2.269 607 HD11 LEU 79 1HD1 LEU 79 -4.543 -4.542 -0.700 608 HD12 LEU 79 2HD1 LEU 79 -4.186 -5.847 0.431 609 HD13 LEU 79 3HD1 LEU 79 -2.999 -4.573 0.154 610 HD21 LEU 79 3HD2 LEU 79 -5.438 -2.079 0.762 611 HD22 LEU 79 1HD2 LEU 79 -3.747 -2.342 0.336 612 HD23 LEU 79 2HD2 LEU 79 -4.191 -1.997 2.007 613 H ASN 80 H ASN 80 -8.070 -4.824 4.335 614 HA ASN 80 HA ASN 80 -6.174 -3.640 6.129 615 HB2 ASN 80 1HB ASN 80 -8.467 -2.787 5.975 616 HB3 ASN 80 2HB ASN 80 -9.091 -4.335 6.537 617 HD21 ASN 80 1HD2 ASN 80 -8.970 -1.435 7.566 618 HD22 ASN 80 2HD2 ASN 80 -8.511 -1.628 9.220 619 H ARG 81 H ARG 81 -8.067 -6.635 6.080 620 HA ARG 81 HA ARG 81 -6.742 -7.552 8.513 621 HB2 ARG 81 1HB ARG 81 -8.952 -8.776 6.854 622 HB3 ARG 81 2HB ARG 81 -8.294 -9.493 8.318 623 HG2 ARG 81 1HG ARG 81 -9.076 -7.646 9.640 624 HG3 ARG 81 2HG ARG 81 -9.604 -6.787 8.192 625 HD2 ARG 81 1HD ARG 81 -11.572 -7.719 9.001 626 HD3 ARG 81 2HD ARG 81 -11.065 -8.867 7.763 627 HE ARG 81 HE ARG 81 -10.000 -9.687 10.215 628 HH11 ARG 81 1HH1 ARG 81 -13.088 -9.354 8.644 629 HH12 ARG 81 2HH1 ARG 81 -13.828 -10.642 9.536 630 HH21 ARG 81 1HH2 ARG 81 -10.962 -11.384 11.397 631 HH22 ARG 81 2HH2 ARG 81 -12.618 -11.795 11.103 632 H LYS 82 H LYS 82 -5.926 -7.454 5.388 633 HA LYS 82 HA LYS 82 -4.670 -10.118 5.399 634 HB2 LYS 82 1HB LYS 82 -5.647 -8.345 3.193 635 HB3 LYS 82 2HB LYS 82 -4.343 -9.481 2.872 636 HG2 LYS 82 1HG LYS 82 -6.840 -10.453 4.178 637 HG3 LYS 82 2HG LYS 82 -6.822 -10.153 2.438 638 HD2 LYS 82 1HD LYS 82 -5.274 -11.822 2.035 639 HD3 LYS 82 2HD LYS 82 -4.642 -11.776 3.683 640 HE2 LYS 82 1HE LYS 82 -7.046 -12.590 4.310 641 HE3 LYS 82 2HE LYS 82 -7.101 -13.101 2.623 642 HZ1 LYS 82 3HZ LYS 82 -5.310 -14.037 4.774 643 HZ2 LYS 82 1HZ LYS 82 -4.884 -14.229 3.148 644 HZ3 LYS 82 2HZ LYS 82 -6.295 -14.947 3.743 645 H VAL 83 H VAL 83 -4.122 -6.683 5.140 646 HA VAL 83 HA VAL 83 -1.219 -7.189 5.033 647 HB VAL 83 HB VAL 83 -2.769 -4.819 3.988 648 HG11 VAL 83 1HG1 VAL 83 -0.866 -3.806 4.834 649 HG12 VAL 83 2HG1 VAL 83 0.155 -5.204 4.490 650 HG13 VAL 83 3HG1 VAL 83 -0.397 -4.168 3.173 651 HG21 VAL 83 3HG2 VAL 83 -2.575 -5.720 1.952 652 HG22 VAL 83 1HG2 VAL 83 -0.887 -6.158 2.218 653 HG23 VAL 83 2HG2 VAL 83 -2.175 -7.224 2.781 654 H LEU 84 H LEU 84 -3.181 -4.344 5.869 655 HA LEU 84 HA LEU 84 -1.643 -3.190 7.746 656 HB2 LEU 84 1HB LEU 84 -4.608 -3.567 8.120 657 HB3 LEU 84 2HB LEU 84 -3.613 -2.260 8.758 658 HG LEU 84 HG LEU 84 -4.156 -2.722 5.826 659 HD11 LEU 84 1HD1 LEU 84 -5.939 -1.795 7.732 660 HD12 LEU 84 2HD1 LEU 84 -6.041 -1.554 5.989 661 HD13 LEU 84 3HD1 LEU 84 -5.281 -0.329 7.004 662 HD21 LEU 84 3HD2 LEU 84 -3.079 -0.253 7.158 663 HD22 LEU 84 1HD2 LEU 84 -3.094 -0.660 5.442 664 HD23 LEU 84 2HD2 LEU 84 -2.028 -1.531 6.545 665 H LYS 85 H LYS 85 -4.013 -5.747 8.484 666 HA LYS 85 HA LYS 85 -3.470 -5.995 11.201 667 HB2 LYS 85 1HB LYS 85 -4.662 -7.741 9.118 668 HB3 LYS 85 2HB LYS 85 -4.141 -8.527 10.603 669 HG2 LYS 85 1HG LYS 85 -5.499 -6.676 11.785 670 HG3 LYS 85 2HG LYS 85 -6.260 -6.456 10.208 671 HD2 LYS 85 1HD LYS 85 -7.678 -7.998 11.137 672 HD3 LYS 85 2HD LYS 85 -6.526 -9.072 10.340 673 HE2 LYS 85 1HE LYS 85 -6.127 -8.211 13.184 674 HE3 LYS 85 2HE LYS 85 -7.195 -9.556 12.786 675 HZ1 LYS 85 3HZ LYS 85 -4.286 -9.370 12.584 676 HZ2 LYS 85 1HZ LYS 85 -5.088 -10.295 11.417 677 HZ3 LYS 85 2HZ LYS 85 -5.255 -10.674 13.057 678 H ARG 86 H ARG 86 -1.968 -7.632 8.438 679 HA ARG 86 HA ARG 86 -0.264 -9.300 9.950 680 HB2 ARG 86 1HB ARG 86 0.017 -8.257 7.127 681 HB3 ARG 86 2HB ARG 86 1.021 -9.519 7.827 682 HG2 ARG 86 1HG ARG 86 -1.957 -9.792 7.753 683 HG3 ARG 86 2HG ARG 86 -0.966 -10.196 6.350 684 HD2 ARG 86 1HD ARG 86 0.302 -11.788 7.694 685 HD3 ARG 86 2HD ARG 86 -0.655 -11.365 9.113 686 HE ARG 86 HE ARG 86 -2.384 -12.651 8.303 687 HH11 ARG 86 1HH1 ARG 86 0.044 -12.247 5.841 688 HH12 ARG 86 2HH1 ARG 86 -0.644 -13.434 4.783 689 HH21 ARG 86 1HH2 ARG 86 -3.300 -14.216 6.918 690 HH22 ARG 86 2HH2 ARG 86 -2.547 -14.552 5.397 691 H LEU 87 H LEU 87 -0.151 -5.955 9.207 692 HA LEU 87 HA LEU 87 2.682 -5.800 9.974 693 HB2 LEU 87 1HB LEU 87 0.874 -3.851 8.564 694 HB3 LEU 87 2HB LEU 87 2.485 -3.431 9.141 695 HG LEU 87 HG LEU 87 2.169 -5.746 7.284 696 HD11 LEU 87 1HD1 LEU 87 0.891 -4.125 6.123 697 HD12 LEU 87 2HD1 LEU 87 2.497 -4.118 5.395 698 HD13 LEU 87 3HD1 LEU 87 2.033 -2.840 6.518 699 HD21 LEU 87 3HD2 LEU 87 4.292 -4.147 8.395 700 HD22 LEU 87 1HD2 LEU 87 4.348 -4.127 6.632 701 HD23 LEU 87 2HD2 LEU 87 4.379 -5.664 7.498 702 H ASN 88 H ASN 88 0.409 -6.219 11.817 703 HA ASN 88 HA ASN 88 -0.450 -5.423 13.778 704 HB2 ASN 88 1HB ASN 88 2.170 -5.596 14.056 705 HB3 ASN 88 2HB ASN 88 2.057 -3.844 14.186 706 HD21 ASN 88 1HD2 ASN 88 2.999 -5.297 16.273 707 HD22 ASN 88 2HD2 ASN 88 1.857 -5.285 17.570 708 H PHE 89 H PHE 89 -1.106 -3.844 11.489 709 HA PHE 89 HA PHE 89 -1.243 -1.153 12.681 710 HB2 PHE 89 1HB PHE 89 -0.076 -1.575 10.379 711 HB3 PHE 89 2HB PHE 89 -1.723 -1.664 9.765 712 HD1 PHE 89 1HD PHE 89 0.781 0.509 11.344 713 HD2 PHE 89 2HD PHE 89 -3.080 0.287 9.568 714 HE1 PHE 89 1HE PHE 89 0.706 2.965 11.210 715 HE2 PHE 89 2HE PHE 89 -3.162 2.742 9.429 716 HZ PHE 89 HZ PHE 89 -1.267 4.084 10.250 717 H SER 90 H SER 90 -3.210 -0.036 12.628 718 HA SER 90 HA SER 90 -5.577 -1.566 11.811 719 HB2 SER 90 1HB SER 90 -6.729 -0.985 13.900 720 HB3 SER 90 2HB SER 90 -5.275 -1.926 14.230 721 HG SER 90 HG SER 90 -4.329 0.370 14.387 722 H VAL 91 H VAL 91 -7.254 -0.362 11.024 723 HA VAL 91 HA VAL 91 -7.048 2.561 11.156 724 HB VAL 91 HB VAL 91 -7.154 0.904 8.655 725 HG11 VAL 91 1HG1 VAL 91 -8.603 3.376 9.195 726 HG12 VAL 91 2HG1 VAL 91 -7.535 3.481 7.794 727 HG13 VAL 91 3HG1 VAL 91 -8.775 2.228 7.868 728 HG21 VAL 91 3HG2 VAL 91 -4.983 1.725 9.502 729 HG22 VAL 91 1HG2 VAL 91 -5.397 2.398 7.925 730 HG23 VAL 91 2HG2 VAL 91 -5.585 3.378 9.379 731 HA PRO 92 HA PRO 92 -11.356 2.101 12.065 732 HB2 PRO 92 1HB PRO 92 -12.009 4.734 11.943 733 HB3 PRO 92 2HB PRO 92 -11.132 4.024 13.303 734 HG2 PRO 92 1HG PRO 92 -10.075 5.564 10.964 735 HG3 PRO 92 2HG PRO 92 -9.632 5.686 12.677 736 HD2 PRO 92 1HD PRO 92 -8.130 4.331 10.876 737 HD3 PRO 92 2HD PRO 92 -8.248 3.845 12.580 738 H ASP 93 H ASP 93 -13.359 2.212 11.020 739 HA ASP 93 HA ASP 93 -13.311 2.039 8.207 740 HB2 ASP 93 1HB ASP 93 -15.557 2.235 10.208 741 HB3 ASP 93 2HB ASP 93 -15.859 2.118 8.476 742 H ASP 94 H ASP 94 -13.721 4.699 10.362 743 HA ASP 94 HA ASP 94 -15.110 6.447 8.611 744 HB2 ASP 94 1HB ASP 94 -13.221 7.403 10.744 745 HB3 ASP 94 2HB ASP 94 -14.738 8.120 10.208 746 H VAL 95 H VAL 95 -11.721 5.701 9.119 747 HA VAL 95 HA VAL 95 -10.734 7.867 7.523 748 HB VAL 95 HB VAL 95 -9.439 5.372 8.606 749 HG11 VAL 95 1HG1 VAL 95 -7.283 6.512 7.857 750 HG12 VAL 95 2HG1 VAL 95 -8.247 5.714 6.612 751 HG13 VAL 95 3HG1 VAL 95 -8.301 7.469 6.782 752 HG21 VAL 95 3HG2 VAL 95 -10.079 7.461 10.016 753 HG22 VAL 95 1HG2 VAL 95 -8.483 6.736 10.211 754 HG23 VAL 95 2HG2 VAL 95 -8.677 8.194 9.237 755 H MET 96 H MET 96 -11.326 4.416 6.995 756 HA MET 96 HA MET 96 -10.214 4.177 4.451 757 HB2 MET 96 1HB MET 96 -12.555 2.746 5.712 758 HB3 MET 96 2HB MET 96 -11.857 2.283 4.166 759 HG2 MET 96 1HG MET 96 -9.633 2.241 5.585 760 HG3 MET 96 2HG MET 96 -10.768 1.990 6.908 761 HE1 MET 96 3HE MET 96 -12.438 -0.268 7.022 762 HE2 MET 96 1HE MET 96 -11.310 -1.619 6.907 763 HE3 MET 96 2HE MET 96 -10.844 -0.152 7.769 764 H ARG 97 H ARG 97 -13.491 5.128 5.420 765 HA ARG 97 HA ARG 97 -14.681 5.279 2.924 766 HB2 ARG 97 1HB ARG 97 -15.103 6.850 5.455 767 HB3 ARG 97 2HB ARG 97 -16.065 7.161 4.016 768 HG2 ARG 97 1HG ARG 97 -16.512 4.598 4.092 769 HG3 ARG 97 2HG ARG 97 -16.018 4.757 5.779 770 HD2 ARG 97 1HD ARG 97 -18.181 6.395 4.463 771 HD3 ARG 97 2HD ARG 97 -18.471 4.948 5.429 772 HE ARG 97 HE ARG 97 -16.940 6.946 6.806 773 HH11 ARG 97 1HH1 ARG 97 -20.150 5.882 5.978 774 HH12 ARG 97 2HH1 ARG 97 -20.898 6.663 7.332 775 HH21 ARG 97 1HH2 ARG 97 -17.914 7.978 8.592 776 HH22 ARG 97 2HH2 ARG 97 -19.626 7.855 8.817 777 H LYS 98 H LYS 98 -12.839 7.778 4.651 778 HA LYS 98 HA LYS 98 -13.121 9.826 2.772 779 HB2 LYS 98 1HB LYS 98 -10.927 9.217 4.751 780 HB3 LYS 98 2HB LYS 98 -10.937 10.673 3.764 781 HG2 LYS 98 1HG LYS 98 -12.692 11.601 4.899 782 HG3 LYS 98 2HG LYS 98 -13.350 10.036 5.382 783 HD2 LYS 98 1HD LYS 98 -11.315 9.783 6.863 784 HD3 LYS 98 2HD LYS 98 -10.968 11.481 6.526 785 HE2 LYS 98 1HE LYS 98 -13.587 10.507 7.652 786 HE3 LYS 98 2HE LYS 98 -12.235 11.035 8.653 787 HZ1 LYS 98 3HZ LYS 98 -14.199 12.618 7.534 788 HZ2 LYS 98 1HZ LYS 98 -12.797 12.956 6.649 789 HZ3 LYS 98 2HZ LYS 98 -12.801 13.139 8.331 790 H ILE 99 H ILE 99 -10.603 7.339 3.074 791 HA ILE 99 HA ILE 99 -8.925 8.139 1.026 792 HB ILE 99 HB ILE 99 -9.610 5.312 1.839 793 HG12 ILE 99 1HG1 ILE 99 -7.154 6.842 2.644 794 HG13 ILE 99 2HG1 ILE 99 -8.656 7.036 3.542 795 HG21 ILE 99 1HG2 ILE 99 -7.505 4.668 0.825 796 HG22 ILE 99 2HG2 ILE 99 -8.545 5.438 -0.373 797 HG23 ILE 99 3HG2 ILE 99 -7.204 6.337 0.338 798 HD11 ILE 99 3HD1 ILE 99 -7.953 4.251 3.107 799 HD12 ILE 99 1HD1 ILE 99 -6.728 5.146 4.006 800 HD13 ILE 99 2HD1 ILE 99 -8.391 5.096 4.591 801 H ALA 100 H ALA 100 -11.486 5.664 0.761 802 HA ALA 100 HA ALA 100 -11.372 5.344 -2.000 803 HB1 ALA 100 3HB ALA 100 -12.561 3.781 -0.603 804 HB2 ALA 100 1HB ALA 100 -13.727 5.023 -0.146 805 HB3 ALA 100 2HB ALA 100 -13.665 4.439 -1.810 806 H GLN 101 H GLN 101 -12.577 7.964 -0.158 807 HA GLN 101 HA GLN 101 -14.275 8.963 -2.299 808 HB2 GLN 101 1HB GLN 101 -13.770 9.710 0.539 809 HB3 GLN 101 2HB GLN 101 -14.333 10.970 -0.552 810 HG2 GLN 101 1HG GLN 101 -15.751 8.341 -0.325 811 HG3 GLN 101 2HG GLN 101 -16.075 9.672 0.784 812 HE21 GLN 101 1HE2 GLN 101 -17.103 8.222 -1.950 813 HE22 GLN 101 2HE2 GLN 101 -17.916 9.545 -2.706 814 H CYS 102 H CYS 102 -11.267 8.704 -2.465 815 HA CYS 102 HA CYS 102 -9.434 9.920 -3.108 816 HB2 CYS 102 1HB CYS 102 -9.786 11.145 -5.099 817 HB3 CYS 102 2HB CYS 102 -11.050 9.922 -5.084 818 HG CYS 102 HG CYS 102 -13.110 11.588 -4.487 819 H ALA 103 H ALA 103 -10.328 10.782 -0.626 820 HA ALA 103 HA ALA 103 -10.365 13.695 -0.690 821 HB1 ALA 103 3HB ALA 103 -10.814 13.578 1.679 822 HB2 ALA 103 1HB ALA 103 -11.887 12.472 0.820 823 HB3 ALA 103 2HB ALA 103 -10.485 11.845 1.688 824 HA PRO 104 HA PRO 104 -5.906 13.657 -0.267 825 HB2 PRO 104 1HB PRO 104 -5.625 16.354 -0.401 826 HB3 PRO 104 2HB PRO 104 -5.885 15.344 -1.827 827 HG2 PRO 104 1HG PRO 104 -7.857 16.979 -0.279 828 HG3 PRO 104 2HG PRO 104 -7.679 16.808 -2.035 829 HD2 PRO 104 1HD PRO 104 -9.564 15.470 -0.626 830 HD3 PRO 104 2HD PRO 104 -8.802 14.796 -2.081 831 H GLY 105 H GLY 105 -4.627 13.770 1.496 832 HA2 GLY 105 1HA GLY 105 -3.832 14.770 3.500 833 HA3 GLY 105 2HA GLY 105 -5.402 15.531 3.711 834 H VAL 106 H VAL 106 -6.118 12.482 2.833 835 HA VAL 106 HA VAL 106 -6.339 11.616 5.635 836 HB VAL 106 HB VAL 106 -7.905 10.561 3.280 837 HG11 VAL 106 1HG1 VAL 106 -9.045 10.411 5.965 838 HG12 VAL 106 2HG1 VAL 106 -8.922 9.174 4.713 839 HG13 VAL 106 3HG1 VAL 106 -7.552 9.492 5.777 840 HG21 VAL 106 3HG2 VAL 106 -9.421 12.206 3.464 841 HG22 VAL 106 1HG2 VAL 106 -9.297 12.257 5.222 842 HG23 VAL 106 2HG2 VAL 106 -8.112 13.107 4.230 843 H VAL 107 H VAL 107 -6.160 10.001 2.457 844 HA VAL 107 HA VAL 107 -5.196 7.568 3.288 845 HB VAL 107 HB VAL 107 -5.888 7.970 0.987 846 HG11 VAL 107 1HG1 VAL 107 -4.785 10.248 0.878 847 HG12 VAL 107 2HG1 VAL 107 -3.279 9.395 0.531 848 HG13 VAL 107 3HG1 VAL 107 -4.652 9.246 -0.567 849 HG21 VAL 107 3HG2 VAL 107 -4.210 6.650 -0.135 850 HG22 VAL 107 1HG2 VAL 107 -3.008 7.082 1.081 851 HG23 VAL 107 2HG2 VAL 107 -4.386 6.073 1.522 852 H GLU 108 H GLU 108 -3.356 10.502 2.571 853 HA GLU 108 HA GLU 108 -0.780 9.509 2.666 854 HB2 GLU 108 1HB GLU 108 -1.975 12.157 3.403 855 HB3 GLU 108 2HB GLU 108 -0.267 11.857 3.694 856 HG2 GLU 108 1HG GLU 108 -0.275 12.866 1.619 857 HG3 GLU 108 2HG GLU 108 -0.187 11.150 1.224 858 H LEU 109 H LEU 109 -2.750 10.707 5.377 859 HA LEU 109 HA LEU 109 -0.979 10.452 7.448 860 HB2 LEU 109 1HB LEU 109 -3.896 9.694 7.509 861 HB3 LEU 109 2HB LEU 109 -2.900 10.087 8.908 862 HG LEU 109 HG LEU 109 -3.450 12.053 6.696 863 HD11 LEU 109 1HD1 LEU 109 -5.161 13.014 8.174 864 HD12 LEU 109 2HD1 LEU 109 -4.974 11.640 9.264 865 HD13 LEU 109 3HD1 LEU 109 -5.585 11.391 7.628 866 HD21 LEU 109 3HD2 LEU 109 -2.334 13.559 7.941 867 HD22 LEU 109 1HD2 LEU 109 -1.581 12.129 8.648 868 HD23 LEU 109 2HD2 LEU 109 -2.938 12.904 9.465 869 H VAL 110 H VAL 110 -2.328 7.946 5.533 870 HA VAL 110 HA VAL 110 -1.571 5.881 7.469 871 HB VAL 110 HB VAL 110 -2.797 5.304 4.793 872 HG11 VAL 110 1HG1 VAL 110 -3.427 3.287 5.720 873 HG12 VAL 110 2HG1 VAL 110 -1.883 3.583 6.522 874 HG13 VAL 110 3HG1 VAL 110 -3.396 3.913 7.368 875 HG21 VAL 110 3HG2 VAL 110 -4.089 6.581 7.145 876 HG22 VAL 110 1HG2 VAL 110 -4.421 6.779 5.424 877 HG23 VAL 110 2HG2 VAL 110 -4.992 5.343 6.273 878 H LEU 111 H LEU 111 -0.644 7.257 4.409 879 HA LEU 111 HA LEU 111 1.084 5.141 3.597 880 HB2 LEU 111 1HB LEU 111 1.047 8.043 2.784 881 HB3 LEU 111 2HB LEU 111 1.951 6.766 1.973 882 HG LEU 111 HG LEU 111 -1.052 6.764 2.200 883 HD11 LEU 111 1HD1 LEU 111 -1.053 8.473 0.772 884 HD12 LEU 111 2HD1 LEU 111 -0.424 7.335 -0.419 885 HD13 LEU 111 3HD1 LEU 111 0.685 8.355 0.497 886 HD21 LEU 111 3HD2 LEU 111 -0.940 5.137 0.428 887 HD22 LEU 111 1HD2 LEU 111 0.086 4.609 1.762 888 HD23 LEU 111 2HD2 LEU 111 0.812 5.319 0.320 889 H ILE 112 H ILE 112 1.514 8.142 5.395 890 HA ILE 112 HA ILE 112 4.266 8.328 5.467 891 HB ILE 112 HB ILE 112 2.095 9.166 7.307 892 HG12 ILE 112 1HG1 ILE 112 4.486 10.712 6.316 893 HG13 ILE 112 2HG1 ILE 112 3.057 10.463 5.320 894 HG21 ILE 112 1HG2 ILE 112 3.933 10.109 8.838 895 HG22 ILE 112 2HG2 ILE 112 3.492 8.411 9.010 896 HG23 ILE 112 3HG2 ILE 112 4.958 8.858 8.137 897 HD11 ILE 112 3HD1 ILE 112 2.904 12.603 6.355 898 HD12 ILE 112 1HD1 ILE 112 1.707 11.543 7.100 899 HD13 ILE 112 2HD1 ILE 112 3.210 11.912 7.948 900 HA PRO 113 HA PRO 113 4.357 5.451 9.351 901 HB2 PRO 113 1HB PRO 113 2.087 4.083 9.938 902 HB3 PRO 113 2HB PRO 113 2.436 5.690 10.587 903 HG2 PRO 113 1HG PRO 113 0.696 4.918 8.276 904 HG3 PRO 113 2HG PRO 113 0.392 6.104 9.559 905 HD2 PRO 113 1HD PRO 113 1.228 6.817 7.085 906 HD3 PRO 113 2HD PRO 113 1.681 7.722 8.544 907 H LEU 114 H LEU 114 1.951 4.153 7.053 908 HA LEU 114 HA LEU 114 2.488 1.529 6.999 909 HB2 LEU 114 1HB LEU 114 0.889 2.574 5.505 910 HB3 LEU 114 2HB LEU 114 2.199 3.299 4.576 911 HG LEU 114 HG LEU 114 2.876 0.753 4.254 912 HD11 LEU 114 1HD1 LEU 114 0.048 0.707 5.146 913 HD12 LEU 114 2HD1 LEU 114 1.325 -0.490 5.358 914 HD13 LEU 114 3HD1 LEU 114 0.506 -0.341 3.803 915 HD21 LEU 114 3HD2 LEU 114 0.613 1.964 2.680 916 HD22 LEU 114 1HD2 LEU 114 1.840 0.829 2.116 917 HD23 LEU 114 2HD2 LEU 114 2.293 2.483 2.531 918 H ARG 115 H ARG 115 4.274 3.786 4.885 919 HA ARG 115 HA ARG 115 6.197 2.007 3.990 920 HB2 ARG 115 1HB ARG 115 5.939 4.189 2.982 921 HB3 ARG 115 2HB ARG 115 6.418 4.980 4.478 922 HG2 ARG 115 1HG ARG 115 8.611 3.564 4.127 923 HG3 ARG 115 2HG ARG 115 8.080 3.597 2.444 924 HD2 ARG 115 1HD ARG 115 7.984 6.036 2.518 925 HD3 ARG 115 2HD ARG 115 8.487 6.011 4.207 926 HE ARG 115 HE ARG 115 10.348 4.663 2.518 927 HH11 ARG 115 1HH1 ARG 115 9.308 7.806 3.595 928 HH12 ARG 115 2HH1 ARG 115 10.846 8.554 3.317 929 HH21 ARG 115 1HH2 ARG 115 12.377 5.636 2.149 930 HH22 ARG 115 2HH2 ARG 115 12.591 7.319 2.494 931 H GLN 116 H GLN 116 6.331 4.156 6.819 932 HA GLN 116 HA GLN 116 8.895 3.603 7.687 933 HB2 GLN 116 1HB GLN 116 6.388 4.226 9.241 934 HB3 GLN 116 2HB GLN 116 7.965 4.088 10.005 935 HG2 GLN 116 1HG GLN 116 8.810 5.915 8.664 936 HG3 GLN 116 2HG GLN 116 7.273 6.024 7.808 937 HE21 GLN 116 1HE2 GLN 116 9.000 7.633 9.904 938 HE22 GLN 116 2HE2 GLN 116 7.781 8.271 10.949 939 H ARG 117 H ARG 117 5.904 1.823 8.357 940 HA ARG 117 HA ARG 117 7.079 -0.074 10.100 941 HB2 ARG 117 1HB ARG 117 4.568 -0.235 8.426 942 HB3 ARG 117 2HB ARG 117 5.014 -1.397 9.668 943 HG2 ARG 117 1HG ARG 117 4.650 1.534 10.223 944 HG3 ARG 117 2HG ARG 117 3.343 0.354 10.344 945 HD2 ARG 117 1HD ARG 117 5.950 0.186 11.849 946 HD3 ARG 117 2HD ARG 117 4.455 0.845 12.511 947 HE ARG 117 HE ARG 117 3.729 -1.625 11.680 948 HH11 ARG 117 1HH1 ARG 117 6.298 -0.438 13.708 949 HH12 ARG 117 2HH1 ARG 117 6.369 -1.870 14.679 950 HH21 ARG 117 1HH2 ARG 117 3.813 -3.516 12.952 951 HH22 ARG 117 2HH2 ARG 117 4.956 -3.621 14.248 952 H LEU 118 H LEU 118 6.146 -0.293 6.667 953 HA LEU 118 HA LEU 118 6.842 -2.823 6.030 954 HB2 LEU 118 1HB LEU 118 7.185 -0.254 4.546 955 HB3 LEU 118 2HB LEU 118 7.780 -1.756 3.840 956 HG LEU 118 HG LEU 118 4.920 -1.345 4.695 957 HD11 LEU 118 1HD1 LEU 118 6.079 0.071 2.701 958 HD12 LEU 118 2HD1 LEU 118 4.384 -0.415 2.723 959 HD13 LEU 118 3HD1 LEU 118 5.564 -1.374 1.830 960 HD21 LEU 118 3HD2 LEU 118 5.947 -3.676 4.434 961 HD22 LEU 118 1HD2 LEU 118 6.003 -3.316 2.708 962 HD23 LEU 118 2HD2 LEU 118 4.456 -3.333 3.555 963 H GLU 119 H GLU 119 9.145 -0.100 6.049 964 HA GLU 119 HA GLU 119 11.463 -1.320 5.366 965 HB2 GLU 119 1HB GLU 119 11.103 0.646 7.634 966 HB3 GLU 119 2HB GLU 119 12.638 0.258 6.870 967 HG2 GLU 119 1HG GLU 119 11.351 0.968 4.690 968 HG3 GLU 119 2HG GLU 119 10.354 1.854 5.843 969 H GLU 120 H GLU 120 10.403 -1.058 8.766 970 HA GLU 120 HA GLU 120 12.279 -2.634 9.965 971 HB2 GLU 120 1HB GLU 120 10.475 -1.403 11.145 972 HB3 GLU 120 2HB GLU 120 9.332 -2.639 10.637 973 HG2 GLU 120 1HG GLU 120 10.312 -4.269 12.001 974 HG3 GLU 120 2HG GLU 120 11.775 -3.314 12.236 975 H ARG 121 H ARG 121 9.453 -3.689 8.153 976 HA ARG 121 HA ARG 121 9.816 -6.467 8.783 977 HB2 ARG 121 1HB ARG 121 8.001 -4.896 7.007 978 HB3 ARG 121 2HB ARG 121 8.180 -6.620 6.710 979 HG2 ARG 121 1HG ARG 121 7.529 -5.602 9.446 980 HG3 ARG 121 2HG ARG 121 6.269 -5.806 8.227 981 HD2 ARG 121 1HD ARG 121 6.483 -8.093 8.194 982 HD3 ARG 121 2HD ARG 121 8.163 -8.050 8.727 983 HE ARG 121 HE ARG 121 6.617 -7.095 10.825 984 HH11 ARG 121 1HH1 ARG 121 7.002 -10.050 9.025 985 HH12 ARG 121 2HH1 ARG 121 6.544 -11.069 10.349 986 HH21 ARG 121 1HH2 ARG 121 6.013 -8.427 12.576 987 HH22 ARG 121 2HH2 ARG 121 5.981 -10.145 12.368 988 H GLN 122 H GLN 122 10.788 -4.298 6.216 989 HA GLN 122 HA GLN 122 11.531 -6.185 4.285 990 HB2 GLN 122 1HB GLN 122 11.373 -3.861 3.696 991 HB3 GLN 122 2HB GLN 122 12.609 -3.427 4.870 992 HG2 GLN 122 1HG GLN 122 13.472 -3.394 2.593 993 HG3 GLN 122 2HG GLN 122 14.287 -4.605 3.581 994 HE21 GLN 122 1HE2 GLN 122 14.543 -6.515 2.687 995 HE22 GLN 122 2HE2 GLN 122 13.596 -7.177 1.403 996 H ARG 123 H ARG 123 13.870 -4.304 6.198 997 HA ARG 123 HA ARG 123 16.066 -5.898 5.780 998 HB2 ARG 123 1HB ARG 123 17.017 -4.925 7.810 999 HB3 ARG 123 2HB ARG 123 16.170 -3.704 6.870 1000 HG2 ARG 123 1HG ARG 123 14.174 -4.346 8.463 1001 HG3 ARG 123 2HG ARG 123 15.490 -4.878 9.511 1002 HD2 ARG 123 1HD ARG 123 15.510 -2.164 8.235 1003 HD3 ARG 123 2HD ARG 123 14.640 -2.460 9.740 1004 HE ARG 123 HE ARG 123 17.291 -3.417 9.941 1005 HH11 ARG 123 1HH1 ARG 123 15.453 -0.461 9.867 1006 HH12 ARG 123 2HH1 ARG 123 16.605 0.431 10.804 1007 HH21 ARG 123 1HH2 ARG 123 18.815 -2.253 11.175 1008 HH22 ARG 123 2HH2 ARG 123 18.518 -0.589 11.547 1009 H ARG 124 H ARG 124 13.545 -6.266 8.225 1010 HA ARG 124 HA ARG 124 14.654 -8.223 9.822 1011 HB2 ARG 124 1HB ARG 124 11.851 -7.555 9.031 1012 HB3 ARG 124 2HB ARG 124 12.146 -9.029 9.943 1013 HG2 ARG 124 1HG ARG 124 13.313 -6.479 10.934 1014 HG3 ARG 124 2HG ARG 124 11.587 -6.774 11.152 1015 HD2 ARG 124 1HD ARG 124 12.424 -9.098 12.041 1016 HD3 ARG 124 2HD ARG 124 13.926 -8.215 12.309 1017 HE ARG 124 HE ARG 124 12.072 -6.621 13.455 1018 HH11 ARG 124 1HH1 ARG 124 12.810 -10.011 13.752 1019 HH12 ARG 124 2HH1 ARG 124 12.288 -10.113 15.401 1020 HH21 ARG 124 1HH2 ARG 124 11.382 -6.743 15.626 1021 HH22 ARG 124 2HH2 ARG 124 11.475 -8.254 16.466 1022 H ARG 125 H ARG 125 14.992 -10.377 9.683 1023 HA ARG 125 HA ARG 125 14.659 -11.596 7.054 1024 HB2 ARG 125 1HB ARG 125 16.251 -13.215 7.737 1025 HB3 ARG 125 2HB ARG 125 16.841 -11.671 8.338 1026 HG2 ARG 125 1HG ARG 125 16.429 -12.209 10.531 1027 HG3 ARG 125 2HG ARG 125 15.176 -13.381 10.120 1028 HD2 ARG 125 1HD ARG 125 16.847 -14.822 10.680 1029 HD3 ARG 125 2HD ARG 125 17.225 -14.607 8.971 1030 HE ARG 125 HE ARG 125 19.216 -13.738 9.633 1031 HH11 ARG 125 1HH1 ARG 125 16.889 -13.164 12.158 1032 HH12 ARG 125 2HH1 ARG 125 18.029 -12.395 13.212 1033 HH21 ARG 125 1HH2 ARG 125 20.725 -12.726 11.011 1034 HH22 ARG 125 2HH2 ARG 125 20.210 -12.145 12.559 1035 H LYS 126 H LYS 126 14.139 -14.029 7.120 1036 HA LYS 126 HA LYS 126 11.637 -14.323 8.604 1037 HB2 LYS 126 1HB LYS 126 12.790 -15.910 6.304 1038 HB3 LYS 126 2HB LYS 126 11.239 -16.241 7.065 1039 HG2 LYS 126 1HG LYS 126 11.860 -13.567 5.861 1040 HG3 LYS 126 2HG LYS 126 11.240 -14.907 4.893 1041 HD2 LYS 126 1HD LYS 126 9.873 -13.974 7.404 1042 HD3 LYS 126 2HD LYS 126 9.532 -13.260 5.826 1043 HE2 LYS 126 1HE LYS 126 8.541 -15.174 5.025 1044 HE3 LYS 126 2HE LYS 126 9.439 -16.225 6.120 1045 HZ1 LYS 126 3HZ LYS 126 6.858 -15.347 6.437 1046 HZ2 LYS 126 1HZ LYS 126 7.749 -14.439 7.551 1047 HZ3 LYS 126 2HZ LYS 126 7.806 -16.129 7.599 1048 H GLN 127 H GLN 127 11.112 -16.439 9.549 1049 HA GLN 127 HA GLN 127 12.884 -17.245 11.489 1050 HB2 GLN 127 1HB GLN 127 10.508 -17.798 11.552 1051 HB3 GLN 127 2HB GLN 127 10.706 -18.886 10.185 1052 HG2 GLN 127 1HG GLN 127 12.321 -19.338 12.644 1053 HG3 GLN 127 2HG GLN 127 10.621 -19.804 12.626 1054 HE21 GLN 127 1HE2 GLN 127 12.249 -21.799 13.020 1055 HE22 GLN 127 2HE2 GLN 127 12.466 -22.768 11.606 Start of MODEL 16 1 H1 GLY 1 H GLY 1 32.720 36.045 9.142 2 HA2 GLY 1 1HA GLY 1 32.802 34.493 10.904 3 HA3 GLY 1 2HA GLY 1 31.134 35.042 10.983 4 H SER 2 H SER 2 32.464 32.422 11.610 5 HA SER 2 HA SER 2 30.866 30.713 9.818 6 HB2 SER 2 1HB SER 2 32.413 28.882 10.405 7 HB3 SER 2 2HB SER 2 33.269 30.242 9.678 8 HG SER 2 HG SER 2 33.021 30.193 12.457 9 H SER 3 H SER 3 29.528 29.157 10.692 10 HA SER 3 HA SER 3 29.419 28.719 13.542 11 HB2 SER 3 1HB SER 3 27.419 30.431 12.126 12 HB3 SER 3 2HB SER 3 26.851 29.356 13.403 13 HG SER 3 HG SER 3 28.385 30.349 14.794 14 H GLY 4 H GLY 4 28.557 26.766 14.027 15 HA2 GLY 4 1HA GLY 4 26.714 25.434 12.254 16 HA3 GLY 4 2HA GLY 4 28.329 24.741 12.233 17 H SER 5 H SER 5 25.355 24.961 13.909 18 HA SER 5 HA SER 5 26.431 23.605 16.269 19 HB2 SER 5 1HB SER 5 23.620 24.610 15.766 20 HB3 SER 5 2HB SER 5 24.268 24.032 17.301 21 HG SER 5 HG SER 5 25.820 25.795 17.108 22 H SER 6 H SER 6 24.780 21.899 17.170 23 HA SER 6 HA SER 6 23.893 20.156 14.973 24 HB2 SER 6 1HB SER 6 24.837 18.212 16.052 25 HB3 SER 6 2HB SER 6 26.113 19.415 15.868 26 HG SER 6 HG SER 6 25.961 18.375 17.982 27 H GLY 7 H GLY 7 22.069 18.933 15.363 28 HA2 GLY 7 1HA GLY 7 20.894 18.432 17.847 29 HA3 GLY 7 2HA GLY 7 20.225 19.943 17.249 30 H MET 8 H MET 8 19.649 16.743 17.432 31 HA MET 8 HA MET 8 18.204 16.665 14.868 32 HB2 MET 8 1HB MET 8 18.265 14.243 15.023 33 HB3 MET 8 2HB MET 8 19.894 14.891 15.160 34 HG2 MET 8 1HG MET 8 19.935 13.348 16.829 35 HG3 MET 8 2HG MET 8 19.386 14.761 17.728 36 HE1 MET 8 3HE MET 8 18.858 12.629 19.440 37 HE2 MET 8 1HE MET 8 17.528 11.502 19.167 38 HE3 MET 8 2HE MET 8 19.011 11.361 18.222 39 H ALA 9 H ALA 9 16.037 16.219 14.827 40 HA ALA 9 HA ALA 9 14.659 15.539 17.301 41 HB1 ALA 9 3HB ALA 9 13.793 17.972 15.759 42 HB2 ALA 9 1HB ALA 9 13.221 17.413 17.332 43 HB3 ALA 9 2HB ALA 9 14.856 18.056 17.164 44 H SER 10 H SER 10 12.220 15.348 16.845 45 HA SER 10 HA SER 10 11.781 14.338 14.115 46 HB2 SER 10 1HB SER 10 11.183 12.982 16.737 47 HB3 SER 10 2HB SER 10 10.305 12.562 15.266 48 HG SER 10 HG SER 10 12.912 12.017 15.993 49 H SER 11 H SER 11 10.273 15.564 13.214 50 HA SER 11 HA SER 11 7.717 15.916 14.495 51 HB2 SER 11 1HB SER 11 7.682 18.264 14.671 52 HB3 SER 11 2HB SER 11 9.256 17.813 15.324 53 HG SER 11 HG SER 11 9.833 18.132 12.901 54 H VAL 12 H VAL 12 6.149 17.001 13.045 55 HA VAL 12 HA VAL 12 6.775 16.356 10.250 56 HB VAL 12 HB VAL 12 4.094 16.739 11.589 57 HG11 VAL 12 1HG1 VAL 12 4.900 16.604 8.787 58 HG12 VAL 12 2HG1 VAL 12 3.649 15.438 9.220 59 HG13 VAL 12 3HG1 VAL 12 3.390 17.159 9.507 60 HG21 VAL 12 3HG2 VAL 12 5.627 14.289 10.752 61 HG22 VAL 12 1HG2 VAL 12 5.016 14.700 12.355 62 HG23 VAL 12 2HG2 VAL 12 3.892 14.270 11.065 63 H ASP 13 H ASP 13 6.616 17.836 8.637 64 HA ASP 13 HA ASP 13 5.412 20.426 9.097 65 HB2 ASP 13 1HB ASP 13 8.372 20.026 8.928 66 HB3 ASP 13 2HB ASP 13 7.664 21.474 8.218 67 H GLU 14 H GLU 14 5.630 21.824 7.091 68 HA GLU 14 HA GLU 14 4.464 20.771 4.920 69 HB2 GLU 14 1HB GLU 14 6.591 22.914 4.959 70 HB3 GLU 14 2HB GLU 14 5.614 22.546 3.545 71 HG2 GLU 14 1HG GLU 14 3.594 23.119 4.775 72 HG3 GLU 14 2HG GLU 14 4.559 23.463 6.210 73 H GLU 15 H GLU 15 7.898 20.584 5.651 74 HA GLU 15 HA GLU 15 8.753 19.543 3.174 75 HB2 GLU 15 1HB GLU 15 10.133 20.482 5.166 76 HB3 GLU 15 2HB GLU 15 10.069 18.835 5.777 77 HG2 GLU 15 1HG GLU 15 11.155 18.017 3.773 78 HG3 GLU 15 2HG GLU 15 11.160 19.642 3.091 79 H ALA 16 H ALA 16 7.880 17.928 6.220 80 HA ALA 16 HA ALA 16 8.378 15.326 5.715 81 HB1 ALA 16 3HB ALA 16 5.941 16.539 6.994 82 HB2 ALA 16 1HB ALA 16 6.253 14.803 6.981 83 HB3 ALA 16 2HB ALA 16 7.383 15.897 7.780 84 H LEU 17 H LEU 17 5.592 17.135 4.467 85 HA LEU 17 HA LEU 17 4.215 15.088 3.223 86 HB2 LEU 17 1HB LEU 17 4.510 18.004 2.706 87 HB3 LEU 17 2HB LEU 17 3.701 17.014 1.492 88 HG LEU 17 HG LEU 17 2.851 17.243 4.378 89 HD11 LEU 17 1HD1 LEU 17 1.536 18.975 3.858 90 HD12 LEU 17 2HD1 LEU 17 1.096 18.295 2.291 91 HD13 LEU 17 3HD1 LEU 17 2.608 19.184 2.474 92 HD21 LEU 17 3HD2 LEU 17 1.991 15.221 3.730 93 HD22 LEU 17 1HD2 LEU 17 1.887 15.684 2.032 94 HD23 LEU 17 2HD2 LEU 17 0.705 16.301 3.187 95 H HIS 18 H HIS 18 6.567 17.262 1.645 96 HA HIS 18 HA HIS 18 6.724 16.098 -0.817 97 HB2 HIS 18 1HB HIS 18 8.044 18.109 0.285 98 HB3 HIS 18 2HB HIS 18 9.297 16.886 0.481 99 HD1 HIS 18 1HD HIS 18 9.815 19.259 -1.353 100 HD2 HIS 18 2HD HIS 18 8.201 15.660 -2.658 101 HE1 HIS 18 1HE HIS 18 10.312 19.153 -3.816 102 HE2 HIS 18 2HE HIS 18 9.251 17.008 -4.600 103 H GLN 19 H GLN 19 8.754 15.218 1.981 104 HA GLN 19 HA GLN 19 10.269 13.219 0.966 105 HB2 GLN 19 1HB GLN 19 8.890 13.406 3.635 106 HB3 GLN 19 2HB GLN 19 9.983 12.083 3.249 107 HG2 GLN 19 1HG GLN 19 10.779 14.972 3.050 108 HG3 GLN 19 2HG GLN 19 10.976 14.015 4.517 109 HE21 GLN 19 1HE2 GLN 19 12.714 15.235 2.197 110 HE22 GLN 19 2HE2 GLN 19 13.882 13.991 1.931 111 H LEU 20 H LEU 20 6.935 12.836 2.144 112 HA LEU 20 HA LEU 20 6.721 10.088 1.575 113 HB2 LEU 20 1HB LEU 20 5.121 10.933 3.037 114 HB3 LEU 20 2HB LEU 20 4.744 12.296 1.985 115 HG LEU 20 HG LEU 20 3.812 10.456 0.391 116 HD11 LEU 20 1HD1 LEU 20 4.656 8.553 1.660 117 HD12 LEU 20 2HD1 LEU 20 2.895 8.530 1.576 118 HD13 LEU 20 3HD1 LEU 20 3.699 9.050 3.056 119 HD21 LEU 20 3HD2 LEU 20 1.639 10.511 1.766 120 HD22 LEU 20 1HD2 LEU 20 2.315 12.041 1.209 121 HD23 LEU 20 2HD2 LEU 20 2.541 11.535 2.883 122 H TYR 21 H TYR 21 5.965 12.965 -0.334 123 HA TYR 21 HA TYR 21 4.733 11.674 -2.499 124 HB2 TYR 21 1HB TYR 21 6.193 14.289 -2.226 125 HB3 TYR 21 2HB TYR 21 5.562 13.757 -3.781 126 HD1 TYR 21 2HD TYR 21 3.007 12.535 -3.045 127 HD2 TYR 21 1HD TYR 21 4.856 16.071 -1.567 128 HE1 TYR 21 2HE TYR 21 0.796 13.440 -2.461 129 HE2 TYR 21 1HE TYR 21 2.650 16.985 -0.977 130 HH TYR 21 HH TYR 21 -0.249 15.650 -2.090 131 H LEU 22 H LEU 22 8.111 12.740 -2.113 132 HA LEU 22 HA LEU 22 9.090 11.778 -4.532 133 HB2 LEU 22 1HB LEU 22 10.592 11.850 -1.922 134 HB3 LEU 22 2HB LEU 22 11.280 11.890 -3.544 135 HG LEU 22 HG LEU 22 9.483 14.072 -2.522 136 HD11 LEU 22 1HD1 LEU 22 11.362 13.847 -0.971 137 HD12 LEU 22 2HD1 LEU 22 11.475 15.328 -1.921 138 HD13 LEU 22 3HD1 LEU 22 12.489 13.943 -2.325 139 HD21 LEU 22 3HD2 LEU 22 10.945 13.512 -4.963 140 HD22 LEU 22 1HD2 LEU 22 11.374 15.077 -4.271 141 HD23 LEU 22 2HD2 LEU 22 9.690 14.710 -4.645 142 H TRP 23 H TRP 23 8.847 10.155 -1.389 143 HA TRP 23 HA TRP 23 10.168 7.814 -1.861 144 HB2 TRP 23 1HB TRP 23 9.296 8.022 0.290 145 HB3 TRP 23 2HB TRP 23 7.686 8.432 -0.295 146 HD1 TRP 23 HD TRP 23 9.994 5.303 -0.508 147 HE1 TRP 23 1HE TRP 23 8.527 3.222 -0.129 148 HE3 TRP 23 3HE TRP 23 5.458 7.597 0.040 149 HZ2 TRP 23 2HZ TRP 23 5.807 2.632 0.340 150 HZ3 TRP 23 3HZ TRP 23 3.473 6.202 0.450 151 HH2 TRP 23 HH TRP 23 3.646 3.771 0.596 152 H VAL 24 H VAL 24 6.996 8.751 -3.049 153 HA VAL 24 HA VAL 24 6.230 6.223 -4.061 154 HB VAL 24 HB VAL 24 5.374 8.961 -5.011 155 HG11 VAL 24 1HG1 VAL 24 4.948 6.885 -6.477 156 HG12 VAL 24 2HG1 VAL 24 3.773 6.438 -5.239 157 HG13 VAL 24 3HG1 VAL 24 3.593 7.955 -6.121 158 HG21 VAL 24 3HG2 VAL 24 4.737 7.396 -2.625 159 HG22 VAL 24 1HG2 VAL 24 4.500 9.112 -2.954 160 HG23 VAL 24 2HG2 VAL 24 3.319 7.934 -3.524 161 H ASP 25 H ASP 25 7.510 9.095 -5.748 162 HA ASP 25 HA ASP 25 7.731 8.060 -8.285 163 HB2 ASP 25 1HB ASP 25 8.322 10.429 -7.288 164 HB3 ASP 25 2HB ASP 25 9.955 9.770 -7.249 165 H ASN 26 H ASN 26 10.035 7.766 -5.611 166 HA ASN 26 HA ASN 26 12.202 6.637 -6.789 167 HB2 ASN 26 1HB ASN 26 12.450 6.881 -4.504 168 HB3 ASN 26 2HB ASN 26 10.879 6.167 -4.151 169 HD21 ASN 26 1HD2 ASN 26 14.201 5.515 -4.987 170 HD22 ASN 26 2HD2 ASN 26 14.202 3.857 -4.502 171 H ILE 27 H ILE 27 9.117 5.075 -6.146 172 HA ILE 27 HA ILE 27 9.999 2.463 -6.923 173 HB ILE 27 HB ILE 27 7.139 3.404 -6.850 174 HG12 ILE 27 1HG1 ILE 27 8.529 2.177 -4.489 175 HG13 ILE 27 2HG1 ILE 27 8.605 3.916 -4.754 176 HG21 ILE 27 1HG2 ILE 27 7.611 1.189 -7.827 177 HG22 ILE 27 2HG2 ILE 27 8.368 0.705 -6.310 178 HG23 ILE 27 3HG2 ILE 27 6.648 1.090 -6.353 179 HD11 ILE 27 3HD1 ILE 27 6.486 4.229 -4.107 180 HD12 ILE 27 1HD1 ILE 27 5.915 2.761 -4.900 181 HD13 ILE 27 2HD1 ILE 27 6.693 2.665 -3.320 182 HA PRO 28 HA PRO 28 9.729 2.968 -11.301 183 HB2 PRO 28 1HB PRO 28 9.661 0.339 -11.976 184 HB3 PRO 28 2HB PRO 28 11.133 1.154 -11.434 185 HG2 PRO 28 1HG PRO 28 9.249 -0.583 -9.886 186 HG3 PRO 28 2HG PRO 28 11.023 -0.566 -9.872 187 HD2 PRO 28 1HD PRO 28 9.539 0.624 -7.944 188 HD3 PRO 28 2HD PRO 28 11.119 1.251 -8.456 189 H LEU 29 H LEU 29 7.234 2.269 -9.363 190 HA LEU 29 HA LEU 29 5.263 0.877 -10.422 191 HB2 LEU 29 1HB LEU 29 5.146 3.746 -9.540 192 HB3 LEU 29 2HB LEU 29 3.697 2.841 -9.975 193 HG LEU 29 HG LEU 29 5.566 1.844 -7.850 194 HD11 LEU 29 1HD1 LEU 29 3.897 4.213 -7.752 195 HD12 LEU 29 2HD1 LEU 29 5.095 3.624 -6.601 196 HD13 LEU 29 3HD1 LEU 29 3.440 3.020 -6.536 197 HD21 LEU 29 3HD2 LEU 29 4.093 0.157 -8.210 198 HD22 LEU 29 1HD2 LEU 29 2.843 1.232 -8.838 199 HD23 LEU 29 2HD2 LEU 29 3.113 1.114 -7.099 200 H SER 30 H SER 30 5.122 0.403 -12.546 201 HA SER 30 HA SER 30 5.655 1.806 -14.767 202 HB2 SER 30 1HB SER 30 4.613 -0.541 -14.547 203 HB3 SER 30 2HB SER 30 3.057 0.286 -14.621 204 HG SER 30 HG SER 30 5.050 0.055 -16.588 205 H ARG 31 H ARG 31 2.526 1.975 -13.075 206 HA ARG 31 HA ARG 31 1.049 3.636 -14.552 207 HB2 ARG 31 1HB ARG 31 0.806 2.823 -12.042 208 HB3 ARG 31 2HB ARG 31 1.360 4.457 -11.700 209 HG2 ARG 31 1HG ARG 31 -0.534 5.429 -12.572 210 HG3 ARG 31 2HG ARG 31 -0.901 4.041 -13.598 211 HD2 ARG 31 1HD ARG 31 -1.560 2.743 -11.666 212 HD3 ARG 31 2HD ARG 31 -1.090 4.057 -10.589 213 HE ARG 31 HE ARG 31 -2.932 5.191 -12.232 214 HH11 ARG 31 1HH1 ARG 31 -2.901 2.361 -10.205 215 HH12 ARG 31 2HH1 ARG 31 -4.601 2.421 -9.872 216 HH21 ARG 31 1HH2 ARG 31 -5.171 5.280 -11.802 217 HH22 ARG 31 2HH2 ARG 31 -5.891 4.081 -10.782 218 HA PRO 32 HA PRO 32 3.394 7.290 -15.352 219 HB2 PRO 32 1HB PRO 32 1.356 8.862 -16.214 220 HB3 PRO 32 2HB PRO 32 2.043 7.559 -17.191 221 HG2 PRO 32 1HG PRO 32 -0.444 7.567 -15.526 222 HG3 PRO 32 2HG PRO 32 -0.186 6.900 -17.149 223 HD2 PRO 32 1HD PRO 32 -0.195 5.357 -14.924 224 HD3 PRO 32 2HD PRO 32 0.809 4.985 -16.340 225 H LYS 33 H LYS 33 2.655 9.848 -15.075 226 HA LYS 33 HA LYS 33 2.356 10.124 -12.176 227 HB2 LYS 33 1HB LYS 33 3.267 12.144 -14.234 228 HB3 LYS 33 2HB LYS 33 3.268 12.380 -12.491 229 HG2 LYS 33 1HG LYS 33 5.489 11.869 -13.135 230 HG3 LYS 33 2HG LYS 33 4.845 10.444 -12.317 231 HD2 LYS 33 1HD LYS 33 4.646 9.243 -14.303 232 HD3 LYS 33 2HD LYS 33 4.686 10.700 -15.299 233 HE2 LYS 33 1HE LYS 33 7.067 10.073 -13.634 234 HE3 LYS 33 2HE LYS 33 6.782 9.095 -15.073 235 HZ1 LYS 33 3HZ LYS 33 7.877 10.730 -16.108 236 HZ2 LYS 33 1HZ LYS 33 7.641 11.841 -14.854 237 HZ3 LYS 33 2HZ LYS 33 6.425 11.592 -16.003 238 H ARG 34 H ARG 34 0.663 11.117 -11.241 239 HA ARG 34 HA ARG 34 -0.976 13.050 -12.462 240 HB2 ARG 34 1HB ARG 34 -1.598 10.823 -13.662 241 HB3 ARG 34 2HB ARG 34 -2.444 10.450 -12.166 242 HG2 ARG 34 1HG ARG 34 -4.044 12.035 -12.509 243 HG3 ARG 34 2HG ARG 34 -2.968 13.077 -13.442 244 HD2 ARG 34 1HD ARG 34 -4.133 10.463 -14.396 245 HD3 ARG 34 2HD ARG 34 -4.733 12.064 -14.827 246 HE ARG 34 HE ARG 34 -1.974 11.799 -15.446 247 HH11 ARG 34 1HH1 ARG 34 -5.158 10.910 -16.538 248 HH12 ARG 34 2HH1 ARG 34 -4.692 10.778 -18.202 249 HH21 ARG 34 1HH2 ARG 34 -1.349 11.628 -17.633 250 HH22 ARG 34 2HH2 ARG 34 -2.525 11.186 -18.823 251 H ASN 35 H ASN 35 -3.085 13.334 -11.157 252 HA ASN 35 HA ASN 35 -2.653 14.025 -8.618 253 HB2 ASN 35 1HB ASN 35 -4.862 14.017 -10.067 254 HB3 ASN 35 2HB ASN 35 -5.231 12.588 -9.105 255 HD21 ASN 35 1HD2 ASN 35 -4.338 13.148 -6.667 256 HD22 ASN 35 2HD2 ASN 35 -5.122 14.542 -6.015 257 H LEU 36 H LEU 36 -1.752 13.017 -6.958 258 HA LEU 36 HA LEU 36 -1.532 10.205 -6.748 259 HB2 LEU 36 1HB LEU 36 -0.067 12.090 -5.741 260 HB3 LEU 36 2HB LEU 36 -1.225 12.054 -4.413 261 HG LEU 36 HG LEU 36 -0.635 9.483 -4.419 262 HD11 LEU 36 1HD1 LEU 36 1.559 8.957 -5.097 263 HD12 LEU 36 2HD1 LEU 36 1.958 10.648 -5.393 264 HD13 LEU 36 3HD1 LEU 36 0.829 9.810 -6.457 265 HD21 LEU 36 3HD2 LEU 36 1.278 11.519 -3.290 266 HD22 LEU 36 1HD2 LEU 36 0.952 9.898 -2.674 267 HD23 LEU 36 2HD2 LEU 36 -0.297 11.141 -2.592 268 H SER 37 H SER 37 -3.488 12.571 -4.947 269 HA SER 37 HA SER 37 -4.733 10.995 -3.117 270 HB2 SER 37 1HB SER 37 -5.115 13.442 -3.411 271 HB3 SER 37 2HB SER 37 -6.152 13.081 -4.791 272 HG SER 37 HG SER 37 -7.488 11.885 -3.354 273 H ARG 38 H ARG 38 -5.729 11.403 -6.505 274 HA ARG 38 HA ARG 38 -7.882 9.537 -6.308 275 HB2 ARG 38 1HB ARG 38 -7.424 11.484 -8.031 276 HB3 ARG 38 2HB ARG 38 -6.607 10.209 -8.925 277 HG2 ARG 38 1HG ARG 38 -9.379 9.756 -7.925 278 HG3 ARG 38 2HG ARG 38 -9.116 10.731 -9.372 279 HD2 ARG 38 1HD ARG 38 -8.118 7.916 -8.951 280 HD3 ARG 38 2HD ARG 38 -9.533 8.366 -9.901 281 HE ARG 38 HE ARG 38 -7.252 9.754 -10.826 282 HH11 ARG 38 1HH1 ARG 38 -8.709 6.592 -10.815 283 HH12 ARG 38 2HH1 ARG 38 -7.969 6.103 -12.303 284 HH21 ARG 38 1HH2 ARG 38 -6.271 9.121 -12.786 285 HH22 ARG 38 2HH2 ARG 38 -6.582 7.542 -13.423 286 H ASP 39 H ASP 39 -4.802 9.385 -8.107 287 HA ASP 39 HA ASP 39 -4.798 6.863 -9.037 288 HB2 ASP 39 1HB ASP 39 -2.534 8.357 -7.716 289 HB3 ASP 39 2HB ASP 39 -2.302 6.809 -8.523 290 H PHE 40 H PHE 40 -3.505 7.631 -5.799 291 HA PHE 40 HA PHE 40 -3.261 4.974 -4.951 292 HB2 PHE 40 1HB PHE 40 -3.325 7.628 -3.601 293 HB3 PHE 40 2HB PHE 40 -3.543 6.198 -2.598 294 HD1 PHE 40 2HD PHE 40 -1.312 7.331 -5.370 295 HD2 PHE 40 1HD PHE 40 -1.659 5.353 -1.617 296 HE1 PHE 40 2HE PHE 40 1.125 6.999 -5.324 297 HE2 PHE 40 1HE PHE 40 0.778 5.018 -1.565 298 HZ PHE 40 HZ PHE 40 2.174 5.841 -3.420 299 H SER 41 H SER 41 -5.939 7.253 -4.718 300 HA SER 41 HA SER 41 -7.666 6.240 -2.961 301 HB2 SER 41 1HB SER 41 -8.092 8.044 -4.729 302 HB3 SER 41 2HB SER 41 -8.613 6.731 -5.784 303 HG SER 41 HG SER 41 -10.313 6.339 -4.487 304 H ASP 42 H ASP 42 -6.846 4.714 -6.026 305 HA ASP 42 HA ASP 42 -8.713 2.541 -5.607 306 HB2 ASP 42 1HB ASP 42 -6.606 2.998 -7.729 307 HB3 ASP 42 2HB ASP 42 -7.722 1.635 -7.710 308 H GLY 43 H GLY 43 -8.124 1.356 -3.846 309 HA2 GLY 43 1HA GLY 43 -5.729 0.751 -2.775 310 HA3 GLY 43 2HA GLY 43 -7.027 -0.430 -2.856 311 H VAL 44 H VAL 44 -7.106 -0.874 -5.610 312 HA VAL 44 HA VAL 44 -5.500 -2.957 -6.078 313 HB VAL 44 HB VAL 44 -6.282 -0.846 -8.087 314 HG11 VAL 44 1HG1 VAL 44 -4.480 -3.080 -8.382 315 HG12 VAL 44 2HG1 VAL 44 -5.892 -3.258 -9.427 316 HG13 VAL 44 3HG1 VAL 44 -4.892 -1.808 -9.532 317 HG21 VAL 44 3HG2 VAL 44 -8.281 -1.767 -7.575 318 HG22 VAL 44 1HG2 VAL 44 -7.738 -3.033 -8.677 319 HG23 VAL 44 2HG2 VAL 44 -7.558 -3.243 -6.935 320 H LEU 45 H LEU 45 -4.543 0.418 -6.509 321 HA LEU 45 HA LEU 45 -1.949 -0.194 -7.534 322 HB2 LEU 45 1HB LEU 45 -2.818 1.905 -8.123 323 HB3 LEU 45 2HB LEU 45 -3.237 2.291 -6.455 324 HG LEU 45 HG LEU 45 -0.747 2.371 -5.992 325 HD11 LEU 45 1HD1 LEU 45 -0.369 1.174 -8.305 326 HD12 LEU 45 2HD1 LEU 45 0.800 2.331 -7.671 327 HD13 LEU 45 3HD1 LEU 45 -0.357 2.833 -8.904 328 HD21 LEU 45 3HD2 LEU 45 -2.482 4.297 -6.707 329 HD22 LEU 45 1HD2 LEU 45 -1.286 4.472 -7.991 330 HD23 LEU 45 2HD2 LEU 45 -0.793 4.607 -6.303 331 H VAL 46 H VAL 46 -3.078 1.045 -4.387 332 HA VAL 46 HA VAL 46 -0.803 1.272 -2.967 333 HB VAL 46 HB VAL 46 -3.310 -0.099 -1.985 334 HG11 VAL 46 1HG1 VAL 46 -0.810 0.222 -0.710 335 HG12 VAL 46 2HG1 VAL 46 -1.930 1.361 0.040 336 HG13 VAL 46 3HG1 VAL 46 -2.323 -0.358 -0.014 337 HG21 VAL 46 3HG2 VAL 46 -2.580 2.755 -1.468 338 HG22 VAL 46 1HG2 VAL 46 -3.358 2.300 -2.983 339 HG23 VAL 46 2HG2 VAL 46 -4.165 1.983 -1.448 340 H ALA 47 H ALA 47 -2.436 -1.792 -3.683 341 HA ALA 47 HA ALA 47 -0.789 -3.492 -2.206 342 HB1 ALA 47 3HB ALA 47 -2.328 -3.981 -4.748 343 HB2 ALA 47 1HB ALA 47 -1.526 -5.253 -3.826 344 HB3 ALA 47 2HB ALA 47 -2.836 -4.326 -3.095 345 H GLU 48 H GLU 48 -0.461 -2.316 -5.535 346 HA GLU 48 HA GLU 48 1.714 -3.830 -6.344 347 HB2 GLU 48 1HB GLU 48 1.059 -0.963 -7.041 348 HB3 GLU 48 2HB GLU 48 2.212 -1.968 -7.908 349 HG2 GLU 48 1HG GLU 48 0.327 -3.563 -8.359 350 HG3 GLU 48 2HG GLU 48 -0.762 -2.341 -7.705 351 H VAL 49 H VAL 49 1.735 -0.638 -4.767 352 HA VAL 49 HA VAL 49 4.417 -0.127 -4.654 353 HB VAL 49 HB VAL 49 2.425 0.361 -2.435 354 HG11 VAL 49 1HG1 VAL 49 5.034 0.545 -2.070 355 HG12 VAL 49 2HG1 VAL 49 4.800 2.091 -2.889 356 HG13 VAL 49 3HG1 VAL 49 3.923 1.739 -1.400 357 HG21 VAL 49 3HG2 VAL 49 3.323 2.367 -4.473 358 HG22 VAL 49 1HG2 VAL 49 1.986 1.266 -4.809 359 HG23 VAL 49 2HG2 VAL 49 1.886 2.386 -3.451 360 H ILE 50 H ILE 50 2.553 -2.108 -2.367 361 HA ILE 50 HA ILE 50 4.537 -2.720 -0.549 362 HB ILE 50 HB ILE 50 2.369 -4.578 -1.534 363 HG12 ILE 50 1HG1 ILE 50 2.307 -2.840 0.928 364 HG13 ILE 50 2HG1 ILE 50 1.709 -2.272 -0.627 365 HG21 ILE 50 1HG2 ILE 50 3.430 -6.074 -0.257 366 HG22 ILE 50 2HG2 ILE 50 4.444 -4.844 0.497 367 HG23 ILE 50 3HG2 ILE 50 2.818 -5.144 1.111 368 HD11 ILE 50 3HD1 ILE 50 0.261 -4.399 -0.591 369 HD12 ILE 50 1HD1 ILE 50 0.632 -4.431 1.133 370 HD13 ILE 50 2HD1 ILE 50 -0.194 -3.038 0.433 371 H LYS 51 H LYS 51 3.845 -4.255 -3.658 372 HA LYS 51 HA LYS 51 5.351 -6.483 -3.680 373 HB2 LYS 51 1HB LYS 51 4.125 -5.277 -5.621 374 HB3 LYS 51 2HB LYS 51 5.683 -4.523 -5.934 375 HG2 LYS 51 1HG LYS 51 5.262 -7.499 -5.814 376 HG3 LYS 51 2HG LYS 51 5.205 -6.551 -7.302 377 HD2 LYS 51 1HD LYS 51 7.519 -5.758 -6.794 378 HD3 LYS 51 2HD LYS 51 7.553 -6.889 -5.440 379 HE2 LYS 51 1HE LYS 51 8.602 -8.049 -7.173 380 HE3 LYS 51 2HE LYS 51 6.956 -8.680 -7.173 381 HZ1 LYS 51 3HZ LYS 51 6.506 -7.757 -9.163 382 HZ2 LYS 51 1HZ LYS 51 8.186 -7.825 -9.358 383 HZ3 LYS 51 2HZ LYS 51 7.448 -6.380 -8.881 384 H PHE 52 H PHE 52 6.714 -3.279 -4.468 385 HA PHE 52 HA PHE 52 9.314 -3.778 -4.833 386 HB2 PHE 52 1HB PHE 52 8.329 -1.507 -4.717 387 HB3 PHE 52 2HB PHE 52 8.306 -1.625 -2.961 388 HD1 PHE 52 2HD PHE 52 10.540 -1.959 -1.771 389 HD2 PHE 52 1HD PHE 52 10.207 -0.708 -5.826 390 HE1 PHE 52 2HE PHE 52 12.831 -1.068 -1.681 391 HE2 PHE 52 1HE PHE 52 12.498 0.184 -5.743 392 HZ PHE 52 HZ PHE 52 13.813 0.006 -3.668 393 H TYR 53 H TYR 53 7.909 -3.405 -1.577 394 HA TYR 53 HA TYR 53 10.306 -4.266 -0.274 395 HB2 TYR 53 1HB TYR 53 7.489 -3.887 0.757 396 HB3 TYR 53 2HB TYR 53 8.873 -4.269 1.776 397 HD1 TYR 53 2HD TYR 53 7.585 -1.726 -0.613 398 HD2 TYR 53 1HD TYR 53 10.235 -2.559 2.610 399 HE1 TYR 53 2HE TYR 53 8.097 0.672 -0.421 400 HE2 TYR 53 1HE TYR 53 10.753 -0.163 2.811 401 HH TYR 53 HH TYR 53 10.568 1.853 1.795 402 H PHE 54 H PHE 54 7.050 -5.717 -0.466 403 HA PHE 54 HA PHE 54 8.316 -8.366 -0.480 404 HB2 PHE 54 1HB PHE 54 5.876 -7.696 1.174 405 HB3 PHE 54 2HB PHE 54 6.735 -9.231 1.126 406 HD1 PHE 54 1HD PHE 54 8.895 -9.484 2.222 407 HD2 PHE 54 2HD PHE 54 6.709 -5.838 2.441 408 HE1 PHE 54 1HE PHE 54 10.310 -8.751 4.097 409 HE2 PHE 54 2HE PHE 54 8.121 -5.100 4.315 410 HZ PHE 54 HZ PHE 54 9.925 -6.556 5.145 411 HA PRO 55 HA PRO 55 5.567 -8.608 -3.993 412 HB2 PRO 55 1HB PRO 55 6.394 -11.066 -4.796 413 HB3 PRO 55 2HB PRO 55 7.319 -9.592 -5.108 414 HG2 PRO 55 1HG PRO 55 7.698 -11.649 -2.966 415 HG3 PRO 55 2HG PRO 55 8.917 -10.839 -3.968 416 HD2 PRO 55 1HD PRO 55 8.394 -10.088 -1.420 417 HD3 PRO 55 2HD PRO 55 8.901 -8.934 -2.671 418 H LYS 56 H LYS 56 6.014 -11.260 -1.674 419 HA LYS 56 HA LYS 56 3.671 -12.678 -2.323 420 HB2 LYS 56 1HB LYS 56 3.952 -13.727 -0.084 421 HB3 LYS 56 2HB LYS 56 5.420 -13.743 -1.052 422 HG2 LYS 56 1HG LYS 56 6.089 -11.641 0.213 423 HG3 LYS 56 2HG LYS 56 4.771 -12.028 1.322 424 HD2 LYS 56 1HD LYS 56 6.488 -13.104 2.378 425 HD3 LYS 56 2HD LYS 56 5.940 -14.401 1.312 426 HE2 LYS 56 1HE LYS 56 8.228 -14.420 0.975 427 HE3 LYS 56 2HE LYS 56 7.663 -13.411 -0.356 428 HZ1 LYS 56 3HZ LYS 56 8.313 -12.018 2.109 429 HZ2 LYS 56 1HZ LYS 56 8.623 -11.583 0.504 430 HZ3 LYS 56 2HZ LYS 56 9.623 -12.701 1.285 431 H MET 57 H MET 57 4.310 -10.342 0.290 432 HA MET 57 HA MET 57 1.843 -10.308 1.502 433 HB2 MET 57 1HB MET 57 3.861 -8.122 1.053 434 HB3 MET 57 2HB MET 57 2.381 -7.833 1.958 435 HG2 MET 57 1HG MET 57 4.178 -10.098 2.699 436 HG3 MET 57 2HG MET 57 4.553 -8.455 3.212 437 HE1 MET 57 3HE MET 57 2.856 -6.941 4.052 438 HE2 MET 57 1HE MET 57 1.403 -7.354 4.962 439 HE3 MET 57 2HE MET 57 2.984 -7.442 5.739 440 H VAL 58 H VAL 58 2.877 -8.505 -1.368 441 HA VAL 58 HA VAL 58 0.921 -6.777 -1.902 442 HB VAL 58 HB VAL 58 2.055 -8.796 -3.836 443 HG11 VAL 58 1HG1 VAL 58 1.193 -6.503 -5.217 444 HG12 VAL 58 2HG1 VAL 58 0.561 -8.145 -5.345 445 HG13 VAL 58 3HG1 VAL 58 -0.154 -7.010 -4.199 446 HG21 VAL 58 3HG2 VAL 58 3.614 -7.148 -4.421 447 HG22 VAL 58 1HG2 VAL 58 2.682 -5.866 -3.648 448 HG23 VAL 58 2HG2 VAL 58 3.526 -7.061 -2.662 449 H GLU 59 H GLU 59 0.550 -10.056 -3.242 450 HA GLU 59 HA GLU 59 -1.337 -11.221 -3.807 451 HB2 GLU 59 1HB GLU 59 -1.632 -10.432 -0.952 452 HB3 GLU 59 2HB GLU 59 -3.025 -11.157 -1.743 453 HG2 GLU 59 1HG GLU 59 -0.365 -12.483 -1.955 454 HG3 GLU 59 2HG GLU 59 -1.303 -12.639 -0.471 455 H MET 60 H MET 60 -1.452 -8.855 -5.064 456 HA MET 60 HA MET 60 -3.938 -7.497 -4.484 457 HB2 MET 60 1HB MET 60 -3.321 -5.938 -6.114 458 HB3 MET 60 2HB MET 60 -1.784 -6.437 -5.418 459 HG2 MET 60 1HG MET 60 -1.363 -6.436 -7.689 460 HG3 MET 60 2HG MET 60 -1.699 -8.131 -7.345 461 HE1 MET 60 3HE MET 60 -3.452 -4.857 -7.931 462 HE2 MET 60 1HE MET 60 -4.615 -5.151 -9.224 463 HE3 MET 60 2HE MET 60 -4.981 -5.664 -7.577 464 H HIS 61 H HIS 61 -2.743 -9.906 -6.719 465 HA HIS 61 HA HIS 61 -4.429 -9.978 -8.791 466 HB2 HIS 61 1HB HIS 61 -2.719 -11.763 -7.919 467 HB3 HIS 61 2HB HIS 61 -4.153 -12.524 -7.234 468 HD1 HIS 61 1HD HIS 61 -6.186 -12.573 -9.290 469 HD2 HIS 61 2HD HIS 61 -2.168 -12.886 -10.299 470 HE1 HIS 61 1HE HIS 61 -6.146 -13.651 -11.561 471 HE2 HIS 61 2HE HIS 61 -3.702 -13.909 -12.114 472 H ASN 62 H ASN 62 -5.292 -11.544 -5.700 473 HA ASN 62 HA ASN 62 -7.830 -12.322 -6.155 474 HB2 ASN 62 1HB ASN 62 -7.233 -10.789 -3.637 475 HB3 ASN 62 2HB ASN 62 -8.230 -12.227 -3.842 476 HD21 ASN 62 1HD2 ASN 62 -5.661 -11.366 -2.311 477 HD22 ASN 62 2HD2 ASN 62 -4.632 -12.739 -2.507 478 H TYR 63 H TYR 63 -6.957 -9.032 -5.096 479 HA TYR 63 HA TYR 63 -9.520 -7.940 -5.175 480 HB2 TYR 63 1HB TYR 63 -6.838 -6.624 -5.634 481 HB3 TYR 63 2HB TYR 63 -8.345 -5.741 -5.418 482 HD1 TYR 63 1HD TYR 63 -5.799 -7.798 -3.765 483 HD2 TYR 63 2HD TYR 63 -9.396 -5.587 -3.242 484 HE1 TYR 63 1HE TYR 63 -5.478 -7.864 -1.327 485 HE2 TYR 63 2HE TYR 63 -9.085 -5.645 -0.803 486 HH TYR 63 HH TYR 63 -6.175 -7.024 0.646 487 H VAL 64 H VAL 64 -10.227 -6.195 -6.730 488 HA VAL 64 HA VAL 64 -9.411 -6.695 -9.494 489 HB VAL 64 HB VAL 64 -12.277 -6.862 -8.550 490 HG11 VAL 64 1HG1 VAL 64 -11.603 -7.497 -11.343 491 HG12 VAL 64 2HG1 VAL 64 -13.004 -6.659 -10.673 492 HG13 VAL 64 3HG1 VAL 64 -11.484 -5.794 -10.903 493 HG21 VAL 64 3HG2 VAL 64 -12.005 -9.150 -9.750 494 HG22 VAL 64 1HG2 VAL 64 -10.281 -8.883 -9.488 495 HG23 VAL 64 2HG2 VAL 64 -11.382 -8.953 -8.112 496 HA PRO 65 HA PRO 65 -9.703 -2.282 -9.576 497 HB2 PRO 65 1HB PRO 65 -9.413 -1.966 -12.257 498 HB3 PRO 65 2HB PRO 65 -8.066 -2.367 -11.186 499 HG2 PRO 65 1HG PRO 65 -9.695 -4.168 -12.935 500 HG3 PRO 65 2HG PRO 65 -7.941 -4.147 -12.677 501 HD2 PRO 65 1HD PRO 65 -9.573 -5.925 -11.449 502 HD3 PRO 65 2HD PRO 65 -8.093 -5.304 -10.690 503 H ALA 66 H ALA 66 -11.574 -1.247 -9.313 504 HA ALA 66 HA ALA 66 -13.687 -1.630 -11.332 505 HB1 ALA 66 3HB ALA 66 -13.990 -2.567 -8.883 506 HB2 ALA 66 1HB ALA 66 -14.436 -0.893 -8.552 507 HB3 ALA 66 2HB ALA 66 -15.328 -1.823 -9.757 508 H ASN 67 H ASN 67 -15.316 0.228 -11.252 509 HA ASN 67 HA ASN 67 -13.881 2.770 -10.847 510 HB2 ASN 67 1HB ASN 67 -15.218 3.642 -12.788 511 HB3 ASN 67 2HB ASN 67 -14.045 2.399 -13.213 512 HD21 ASN 67 1HD2 ASN 67 -14.871 0.189 -13.406 513 HD22 ASN 67 2HD2 ASN 67 -16.469 -0.043 -14.020 514 H SER 68 H SER 68 -15.701 1.330 -9.043 515 HA SER 68 HA SER 68 -17.786 3.399 -8.814 516 HB2 SER 68 1HB SER 68 -17.995 0.426 -8.572 517 HB3 SER 68 2HB SER 68 -19.035 1.432 -7.564 518 HG SER 68 HG SER 68 -18.822 1.645 -10.386 519 H LEU 69 H LEU 69 -18.444 3.934 -6.664 520 HA LEU 69 HA LEU 69 -16.306 4.172 -4.846 521 HB2 LEU 69 1HB LEU 69 -18.423 5.610 -5.108 522 HB3 LEU 69 2HB LEU 69 -19.191 4.416 -4.064 523 HG LEU 69 HG LEU 69 -17.455 4.931 -2.336 524 HD11 LEU 69 1HD1 LEU 69 -15.759 5.854 -3.836 525 HD12 LEU 69 2HD1 LEU 69 -16.181 6.991 -2.556 526 HD13 LEU 69 3HD1 LEU 69 -16.813 7.224 -4.185 527 HD21 LEU 69 3HD2 LEU 69 -19.663 6.598 -3.228 528 HD22 LEU 69 1HD2 LEU 69 -18.468 7.495 -2.291 529 HD23 LEU 69 2HD2 LEU 69 -19.232 6.062 -1.604 530 H GLN 70 H GLN 70 -19.386 2.435 -4.350 531 HA GLN 70 HA GLN 70 -18.919 1.105 -2.065 532 HB2 GLN 70 1HB GLN 70 -20.334 -0.715 -2.878 533 HB3 GLN 70 2HB GLN 70 -20.973 0.846 -3.375 534 HG2 GLN 70 1HG GLN 70 -19.994 0.522 -5.601 535 HG3 GLN 70 2HG GLN 70 -19.404 -1.061 -5.096 536 HE21 GLN 70 1HE2 GLN 70 -21.563 0.167 -7.004 537 HE22 GLN 70 2HE2 GLN 70 -22.903 -0.899 -6.773 538 H GLN 71 H GLN 71 -17.771 0.016 -5.250 539 HA GLN 71 HA GLN 71 -16.540 -2.339 -4.520 540 HB2 GLN 71 1HB GLN 71 -15.988 -0.317 -6.654 541 HB3 GLN 71 2HB GLN 71 -14.862 -1.647 -6.420 542 HG2 GLN 71 1HG GLN 71 -17.758 -1.781 -7.193 543 HG3 GLN 71 2HG GLN 71 -16.353 -2.322 -8.110 544 HE21 GLN 71 1HE2 GLN 71 -14.965 -3.914 -6.671 545 HE22 GLN 71 2HE2 GLN 71 -15.876 -5.222 -6.003 546 H LYS 72 H LYS 72 -14.894 0.812 -4.841 547 HA LYS 72 HA LYS 72 -12.414 0.265 -3.966 548 HB2 LYS 72 1HB LYS 72 -14.110 2.620 -3.120 549 HB3 LYS 72 2HB LYS 72 -12.366 2.530 -2.914 550 HG2 LYS 72 1HG LYS 72 -13.653 2.234 -5.606 551 HG3 LYS 72 2HG LYS 72 -13.255 3.813 -4.925 552 HD2 LYS 72 1HD LYS 72 -10.949 3.334 -4.897 553 HD3 LYS 72 2HD LYS 72 -11.223 1.607 -5.140 554 HE2 LYS 72 1HE LYS 72 -10.492 2.407 -7.223 555 HE3 LYS 72 2HE LYS 72 -12.241 2.249 -7.383 556 HZ1 LYS 72 3HZ LYS 72 -12.210 4.349 -8.066 557 HZ2 LYS 72 1HZ LYS 72 -10.607 4.583 -7.578 558 HZ3 LYS 72 2HZ LYS 72 -11.867 4.796 -6.471 559 H LEU 73 H LEU 73 -14.901 1.343 -1.644 560 HA LEU 73 HA LEU 73 -13.595 0.818 0.692 561 HB2 LEU 73 1HB LEU 73 -16.458 0.769 -0.101 562 HB3 LEU 73 2HB LEU 73 -16.030 0.134 1.486 563 HG LEU 73 HG LEU 73 -15.460 2.929 0.501 564 HD11 LEU 73 1HD1 LEU 73 -17.203 2.623 2.799 565 HD12 LEU 73 2HD1 LEU 73 -17.866 1.873 1.348 566 HD13 LEU 73 3HD1 LEU 73 -17.419 3.579 1.333 567 HD21 LEU 73 3HD2 LEU 73 -13.782 2.520 2.038 568 HD22 LEU 73 1HD2 LEU 73 -14.791 1.449 3.011 569 HD23 LEU 73 2HD2 LEU 73 -15.061 3.191 3.052 570 H SER 74 H SER 74 -15.535 -1.487 -1.191 571 HA SER 74 HA SER 74 -15.442 -3.683 0.459 572 HB2 SER 74 1HB SER 74 -16.528 -3.358 -1.895 573 HB3 SER 74 2HB SER 74 -15.012 -4.032 -2.493 574 HG SER 74 HG SER 74 -15.948 -5.871 -2.090 575 H ASN 75 H ASN 75 -13.022 -2.716 -1.960 576 HA ASN 75 HA ASN 75 -11.251 -4.865 -1.423 577 HB2 ASN 75 1HB ASN 75 -10.721 -2.166 -2.686 578 HB3 ASN 75 2HB ASN 75 -9.600 -3.524 -2.702 579 HD21 ASN 75 1HD2 ASN 75 -9.960 -2.864 -5.072 580 HD22 ASN 75 2HD2 ASN 75 -11.168 -3.766 -5.916 581 H TRP 76 H TRP 76 -10.971 -1.399 -0.616 582 HA TRP 76 HA TRP 76 -8.733 -1.417 0.926 583 HB2 TRP 76 1HB TRP 76 -11.239 0.189 0.996 584 HB3 TRP 76 2HB TRP 76 -10.139 0.340 2.364 585 HD1 TRP 76 HD TRP 76 -10.628 1.475 -1.175 586 HE1 TRP 76 1HE TRP 76 -8.669 2.988 -1.882 587 HE3 TRP 76 3HE TRP 76 -7.476 0.612 2.757 588 HZ2 TRP 76 2HZ TRP 76 -6.125 3.719 -0.902 589 HZ3 TRP 76 3HZ TRP 76 -5.298 1.757 2.796 590 HH2 TRP 76 HH TRP 76 -4.638 3.277 1.003 591 H GLY 77 H GLY 77 -12.019 -2.213 2.026 592 HA2 GLY 77 1HA GLY 77 -11.507 -2.605 4.723 593 HA3 GLY 77 2HA GLY 77 -12.743 -3.460 3.813 594 H HIS 78 H HIS 78 -11.344 -5.031 2.120 595 HA HIS 78 HA HIS 78 -10.559 -7.178 3.744 596 HB2 HIS 78 1HB HIS 78 -10.230 -6.608 0.806 597 HB3 HIS 78 2HB HIS 78 -9.605 -8.086 1.531 598 HD1 HIS 78 1HD HIS 78 -11.821 -9.019 3.289 599 HD2 HIS 78 2HD HIS 78 -12.520 -7.312 -0.433 600 HE1 HIS 78 1HE HIS 78 -14.096 -9.834 2.592 601 HE2 HIS 78 2HE HIS 78 -14.461 -8.857 0.300 602 H LEU 79 H LEU 79 -8.619 -4.883 1.850 603 HA LEU 79 HA LEU 79 -6.104 -5.963 2.370 604 HB2 LEU 79 1HB LEU 79 -6.781 -4.083 0.771 605 HB3 LEU 79 2HB LEU 79 -6.622 -3.013 2.163 606 HG LEU 79 HG LEU 79 -4.219 -4.137 2.277 607 HD11 LEU 79 1HD1 LEU 79 -5.167 -4.577 -0.523 608 HD12 LEU 79 2HD1 LEU 79 -4.235 -5.644 0.526 609 HD13 LEU 79 3HD1 LEU 79 -3.467 -4.233 -0.201 610 HD21 LEU 79 3HD2 LEU 79 -5.324 -1.721 1.245 611 HD22 LEU 79 1HD2 LEU 79 -3.966 -2.206 0.231 612 HD23 LEU 79 2HD2 LEU 79 -3.738 -1.995 1.967 613 H ASN 80 H ASN 80 -8.240 -4.185 4.414 614 HA ASN 80 HA ASN 80 -6.287 -3.269 6.281 615 HB2 ASN 80 1HB ASN 80 -8.542 -2.245 6.031 616 HB3 ASN 80 2HB ASN 80 -9.250 -3.707 6.711 617 HD21 ASN 80 1HD2 ASN 80 -8.758 -0.718 7.500 618 HD22 ASN 80 2HD2 ASN 80 -8.322 -0.849 9.167 619 H ARG 81 H ARG 81 -8.059 -6.224 5.829 620 HA ARG 81 HA ARG 81 -7.026 -7.253 8.385 621 HB2 ARG 81 1HB ARG 81 -9.308 -8.208 6.650 622 HB3 ARG 81 2HB ARG 81 -8.717 -9.078 8.059 623 HG2 ARG 81 1HG ARG 81 -9.884 -6.302 8.064 624 HG3 ARG 81 2HG ARG 81 -10.704 -7.776 8.584 625 HD2 ARG 81 1HD ARG 81 -8.879 -8.080 10.277 626 HD3 ARG 81 2HD ARG 81 -8.290 -6.478 9.835 627 HE ARG 81 HE ARG 81 -10.933 -6.113 10.444 628 HH11 ARG 81 1HH1 ARG 81 -8.156 -7.404 12.100 629 HH12 ARG 81 2HH1 ARG 81 -8.715 -6.939 13.673 630 HH21 ARG 81 1HH2 ARG 81 -11.679 -5.495 12.510 631 HH22 ARG 81 2HH2 ARG 81 -10.719 -5.854 13.905 632 H LYS 82 H LYS 82 -6.161 -7.131 5.266 633 HA LYS 82 HA LYS 82 -5.064 -9.866 5.253 634 HB2 LYS 82 1HB LYS 82 -6.031 -8.073 3.069 635 HB3 LYS 82 2HB LYS 82 -4.738 -9.210 2.712 636 HG2 LYS 82 1HG LYS 82 -6.418 -10.895 3.890 637 HG3 LYS 82 2HG LYS 82 -7.592 -9.706 3.319 638 HD2 LYS 82 1HD LYS 82 -6.589 -9.912 1.045 639 HD3 LYS 82 2HD LYS 82 -5.581 -11.224 1.661 640 HE2 LYS 82 1HE LYS 82 -7.327 -12.426 0.799 641 HE3 LYS 82 2HE LYS 82 -7.899 -12.187 2.449 642 HZ1 LYS 82 3HZ LYS 82 -9.586 -11.722 0.719 643 HZ2 LYS 82 1HZ LYS 82 -8.635 -10.436 0.169 644 HZ3 LYS 82 2HZ LYS 82 -9.284 -10.400 1.731 645 H VAL 83 H VAL 83 -4.359 -6.456 4.803 646 HA VAL 83 HA VAL 83 -1.489 -7.093 4.641 647 HB VAL 83 HB VAL 83 -2.973 -4.600 3.805 648 HG11 VAL 83 1HG1 VAL 83 -0.982 -3.711 4.559 649 HG12 VAL 83 2HG1 VAL 83 -0.056 -5.154 4.141 650 HG13 VAL 83 3HG1 VAL 83 -0.603 -4.057 2.872 651 HG21 VAL 83 3HG2 VAL 83 -3.253 -6.292 2.171 652 HG22 VAL 83 1HG2 VAL 83 -1.982 -5.228 1.568 653 HG23 VAL 83 2HG2 VAL 83 -1.563 -6.783 2.286 654 H LEU 84 H LEU 84 -3.322 -4.251 5.753 655 HA LEU 84 HA LEU 84 -1.652 -3.206 7.569 656 HB2 LEU 84 1HB LEU 84 -4.592 -3.627 8.081 657 HB3 LEU 84 2HB LEU 84 -3.567 -2.410 8.838 658 HG LEU 84 HG LEU 84 -4.358 -2.522 5.928 659 HD11 LEU 84 1HD1 LEU 84 -6.033 -1.130 6.403 660 HD12 LEU 84 2HD1 LEU 84 -5.037 -0.163 7.491 661 HD13 LEU 84 3HD1 LEU 84 -5.817 -1.630 8.081 662 HD21 LEU 84 3HD2 LEU 84 -2.281 -1.024 7.380 663 HD22 LEU 84 1HD2 LEU 84 -3.308 -0.064 6.315 664 HD23 LEU 84 2HD2 LEU 84 -2.404 -1.434 5.669 665 H LYS 85 H LYS 85 -3.993 -5.764 8.405 666 HA LYS 85 HA LYS 85 -3.377 -6.207 11.016 667 HB2 LYS 85 1HB LYS 85 -5.069 -7.429 9.543 668 HB3 LYS 85 2HB LYS 85 -3.745 -8.491 9.083 669 HG2 LYS 85 1HG LYS 85 -3.450 -8.799 11.646 670 HG3 LYS 85 2HG LYS 85 -5.109 -8.201 11.720 671 HD2 LYS 85 1HD LYS 85 -5.594 -9.987 9.921 672 HD3 LYS 85 2HD LYS 85 -4.055 -10.691 10.421 673 HE2 LYS 85 1HE LYS 85 -6.158 -10.004 12.441 674 HE3 LYS 85 2HE LYS 85 -6.239 -11.515 11.537 675 HZ1 LYS 85 3HZ LYS 85 -4.984 -12.250 13.233 676 HZ2 LYS 85 1HZ LYS 85 -4.411 -10.711 13.642 677 HZ3 LYS 85 2HZ LYS 85 -3.710 -11.561 12.359 678 H ARG 86 H ARG 86 -1.688 -7.649 8.234 679 HA ARG 86 HA ARG 86 0.202 -9.106 9.702 680 HB2 ARG 86 1HB ARG 86 0.595 -7.876 6.969 681 HB3 ARG 86 2HB ARG 86 1.468 -9.246 7.643 682 HG2 ARG 86 1HG ARG 86 -1.498 -9.255 7.156 683 HG3 ARG 86 2HG ARG 86 -0.311 -9.813 5.975 684 HD2 ARG 86 1HD ARG 86 0.432 -11.547 7.429 685 HD3 ARG 86 2HD ARG 86 -0.493 -10.893 8.779 686 HE ARG 86 HE ARG 86 -2.271 -11.494 6.709 687 HH11 ARG 86 1HH1 ARG 86 -0.144 -13.126 8.929 688 HH12 ARG 86 2HH1 ARG 86 -1.091 -14.576 8.975 689 HH21 ARG 86 1HH2 ARG 86 -3.527 -13.398 6.761 690 HH22 ARG 86 2HH2 ARG 86 -3.015 -14.730 7.741 691 H LEU 87 H LEU 87 0.067 -5.740 8.798 692 HA LEU 87 HA LEU 87 2.795 -5.293 9.755 693 HB2 LEU 87 1HB LEU 87 0.821 -3.475 8.385 694 HB3 LEU 87 2HB LEU 87 2.415 -2.967 8.941 695 HG LEU 87 HG LEU 87 2.196 -5.248 7.027 696 HD11 LEU 87 1HD1 LEU 87 0.834 -3.711 5.890 697 HD12 LEU 87 2HD1 LEU 87 2.442 -3.500 5.199 698 HD13 LEU 87 3HD1 LEU 87 1.830 -2.339 6.377 699 HD21 LEU 87 3HD2 LEU 87 4.362 -4.453 6.319 700 HD22 LEU 87 1HD2 LEU 87 4.348 -4.636 8.074 701 HD23 LEU 87 2HD2 LEU 87 4.215 -3.031 7.354 702 H ASN 88 H ASN 88 0.565 -6.006 11.543 703 HA ASN 88 HA ASN 88 -0.455 -5.332 13.479 704 HB2 ASN 88 1HB ASN 88 2.207 -3.909 13.690 705 HB3 ASN 88 2HB ASN 88 1.091 -4.136 15.033 706 HD21 ASN 88 1HD2 ASN 88 3.812 -5.076 14.745 707 HD22 ASN 88 2HD2 ASN 88 3.752 -6.798 14.880 708 H PHE 89 H PHE 89 -0.946 -3.639 11.120 709 HA PHE 89 HA PHE 89 -1.357 -1.023 12.391 710 HB2 PHE 89 1HB PHE 89 -0.207 -1.424 10.044 711 HB3 PHE 89 2HB PHE 89 -1.876 -1.486 9.486 712 HD1 PHE 89 1HD PHE 89 0.744 0.625 10.916 713 HD2 PHE 89 2HD PHE 89 -3.271 0.481 9.511 714 HE1 PHE 89 1HE PHE 89 0.682 3.083 10.852 715 HE2 PHE 89 2HE PHE 89 -3.339 2.939 9.445 716 HZ PHE 89 HZ PHE 89 -1.361 4.244 10.115 717 H SER 90 H SER 90 -3.374 -0.099 12.536 718 HA SER 90 HA SER 90 -5.669 -1.638 11.561 719 HB2 SER 90 1HB SER 90 -5.095 -0.902 14.418 720 HB3 SER 90 2HB SER 90 -6.758 -1.072 13.858 721 HG SER 90 HG SER 90 -6.415 -3.189 13.442 722 H VAL 91 H VAL 91 -7.426 -0.424 10.988 723 HA VAL 91 HA VAL 91 -7.398 2.445 11.574 724 HB VAL 91 HB VAL 91 -7.646 1.303 8.788 725 HG11 VAL 91 1HG1 VAL 91 -7.517 4.217 9.189 726 HG12 VAL 91 2HG1 VAL 91 -8.461 3.267 8.039 727 HG13 VAL 91 3HG1 VAL 91 -9.015 3.443 9.705 728 HG21 VAL 91 3HG2 VAL 91 -5.363 1.385 9.251 729 HG22 VAL 91 1HG2 VAL 91 -5.675 2.924 8.448 730 HG23 VAL 91 2HG2 VAL 91 -5.511 2.862 10.203 731 HA PRO 92 HA PRO 92 -11.678 1.592 12.299 732 HB2 PRO 92 1HB PRO 92 -12.508 4.165 12.538 733 HB3 PRO 92 2HB PRO 92 -11.600 3.327 13.802 734 HG2 PRO 92 1HG PRO 92 -10.624 5.253 11.729 735 HG3 PRO 92 2HG PRO 92 -10.210 5.158 13.451 736 HD2 PRO 92 1HD PRO 92 -8.598 4.178 11.509 737 HD3 PRO 92 2HD PRO 92 -8.702 3.446 13.123 738 H ASP 93 H ASP 93 -13.576 1.535 11.153 739 HA ASP 93 HA ASP 93 -13.561 1.720 8.405 740 HB2 ASP 93 1HB ASP 93 -15.300 0.667 10.050 741 HB3 ASP 93 2HB ASP 93 -16.103 2.228 9.912 742 H ASP 94 H ASP 94 -14.482 4.172 10.767 743 HA ASP 94 HA ASP 94 -15.643 6.072 9.149 744 HB2 ASP 94 1HB ASP 94 -13.749 6.544 11.461 745 HB3 ASP 94 2HB ASP 94 -14.838 7.748 10.777 746 H VAL 95 H VAL 95 -12.174 5.829 9.939 747 HA VAL 95 HA VAL 95 -11.296 7.893 8.277 748 HB VAL 95 HB VAL 95 -9.816 5.387 9.088 749 HG11 VAL 95 1HG1 VAL 95 -8.515 7.973 8.335 750 HG12 VAL 95 2HG1 VAL 95 -7.833 6.346 8.369 751 HG13 VAL 95 3HG1 VAL 95 -8.962 6.804 7.093 752 HG21 VAL 95 3HG2 VAL 95 -9.165 6.450 11.014 753 HG22 VAL 95 1HG2 VAL 95 -9.382 8.060 10.327 754 HG23 VAL 95 2HG2 VAL 95 -10.787 7.115 10.818 755 H MET 96 H MET 96 -11.830 4.469 7.603 756 HA MET 96 HA MET 96 -10.690 4.420 5.030 757 HB2 MET 96 1HB MET 96 -12.904 2.728 6.203 758 HB3 MET 96 2HB MET 96 -12.066 2.376 4.698 759 HG2 MET 96 1HG MET 96 -9.937 2.508 6.225 760 HG3 MET 96 2HG MET 96 -11.104 2.164 7.501 761 HE1 MET 96 3HE MET 96 -11.719 -1.472 7.320 762 HE2 MET 96 1HE MET 96 -11.167 -0.138 8.333 763 HE3 MET 96 2HE MET 96 -12.701 -0.014 7.472 764 H ARG 97 H ARG 97 -14.033 4.954 6.104 765 HA ARG 97 HA ARG 97 -15.318 5.108 3.678 766 HB2 ARG 97 1HB ARG 97 -15.752 6.577 6.265 767 HB3 ARG 97 2HB ARG 97 -16.786 6.870 4.873 768 HG2 ARG 97 1HG ARG 97 -17.283 4.424 4.826 769 HG3 ARG 97 2HG ARG 97 -16.400 4.277 6.347 770 HD2 ARG 97 1HD ARG 97 -18.524 4.536 7.148 771 HD3 ARG 97 2HD ARG 97 -18.016 6.223 7.081 772 HE ARG 97 HE ARG 97 -19.237 5.448 4.645 773 HH11 ARG 97 1HH1 ARG 97 -19.967 6.258 7.952 774 HH12 ARG 97 2HH1 ARG 97 -21.562 6.832 7.596 775 HH21 ARG 97 1HH2 ARG 97 -21.335 6.201 4.164 776 HH22 ARG 97 2HH2 ARG 97 -22.340 6.799 5.441 777 H LYS 98 H LYS 98 -13.315 7.533 5.251 778 HA LYS 98 HA LYS 98 -13.913 9.614 3.382 779 HB2 LYS 98 1HB LYS 98 -11.485 9.441 5.164 780 HB3 LYS 98 2HB LYS 98 -12.235 10.889 4.504 781 HG2 LYS 98 1HG LYS 98 -14.099 10.695 5.947 782 HG3 LYS 98 2HG LYS 98 -13.638 9.061 6.433 783 HD2 LYS 98 1HD LYS 98 -12.847 10.219 8.233 784 HD3 LYS 98 2HD LYS 98 -11.426 10.313 7.189 785 HE2 LYS 98 1HE LYS 98 -13.560 12.419 7.521 786 HE3 LYS 98 2HE LYS 98 -11.911 12.489 8.141 787 HZ1 LYS 98 3HZ LYS 98 -12.879 12.810 5.393 788 HZ2 LYS 98 1HZ LYS 98 -11.339 12.149 5.627 789 HZ3 LYS 98 2HZ LYS 98 -11.699 13.687 6.230 790 H ILE 99 H ILE 99 -11.184 7.388 3.837 791 HA ILE 99 HA ILE 99 -9.451 8.265 1.908 792 HB ILE 99 HB ILE 99 -10.116 5.450 2.743 793 HG12 ILE 99 1HG1 ILE 99 -7.645 7.111 3.253 794 HG13 ILE 99 2HG1 ILE 99 -9.023 7.071 4.347 795 HG21 ILE 99 1HG2 ILE 99 -8.094 4.715 1.587 796 HG22 ILE 99 2HG2 ILE 99 -9.271 5.379 0.455 797 HG23 ILE 99 3HG2 ILE 99 -7.872 6.339 0.935 798 HD11 ILE 99 3HD1 ILE 99 -8.561 4.967 5.071 799 HD12 ILE 99 1HD1 ILE 99 -7.795 4.491 3.556 800 HD13 ILE 99 2HD1 ILE 99 -6.929 5.521 4.696 801 H ALA 100 H ALA 100 -12.036 5.859 1.399 802 HA ALA 100 HA ALA 100 -11.707 5.569 -1.355 803 HB1 ALA 100 3HB ALA 100 -14.484 5.367 -0.550 804 HB2 ALA 100 1HB ALA 100 -13.387 4.122 -1.148 805 HB3 ALA 100 2HB ALA 100 -13.405 4.532 0.567 806 H GLN 101 H GLN 101 -13.312 8.051 0.495 807 HA GLN 101 HA GLN 101 -14.728 9.166 -1.741 808 HB2 GLN 101 1HB GLN 101 -14.269 9.988 1.103 809 HB3 GLN 101 2HB GLN 101 -14.920 11.149 -0.046 810 HG2 GLN 101 1HG GLN 101 -16.204 8.479 0.126 811 HG3 GLN 101 2HG GLN 101 -16.479 9.628 1.434 812 HE21 GLN 101 1HE2 GLN 101 -16.616 9.298 -2.080 813 HE22 GLN 101 2HE2 GLN 101 -17.947 10.376 -2.308 814 H CYS 102 H CYS 102 -11.594 8.935 -1.367 815 HA CYS 102 HA CYS 102 -9.777 10.045 -2.165 816 HB2 CYS 102 1HB CYS 102 -12.019 11.411 -3.606 817 HB3 CYS 102 2HB CYS 102 -10.389 12.060 -3.739 818 HG CYS 102 HG CYS 102 -10.674 8.759 -4.318 819 H ALA 103 H ALA 103 -10.484 10.673 0.397 820 HA ALA 103 HA ALA 103 -10.691 13.491 0.823 821 HB1 ALA 103 3HB ALA 103 -9.679 11.573 2.887 822 HB2 ALA 103 1HB ALA 103 -10.668 13.019 3.095 823 HB3 ALA 103 2HB ALA 103 -11.373 11.561 2.396 824 HA PRO 104 HA PRO 104 -6.383 14.351 0.070 825 HB2 PRO 104 1HB PRO 104 -6.522 16.996 0.664 826 HB3 PRO 104 2HB PRO 104 -7.101 16.324 -0.865 827 HG2 PRO 104 1HG PRO 104 -8.653 17.071 1.584 828 HG3 PRO 104 2HG PRO 104 -9.041 17.367 -0.121 829 HD2 PRO 104 1HD PRO 104 -10.162 15.353 1.300 830 HD3 PRO 104 2HD PRO 104 -9.839 15.228 -0.441 831 H GLY 105 H GLY 105 -5.209 13.380 1.671 832 HA2 GLY 105 1HA GLY 105 -3.680 14.112 3.472 833 HA3 GLY 105 2HA GLY 105 -5.089 14.815 4.253 834 H VAL 106 H VAL 106 -6.953 12.994 4.351 835 HA VAL 106 HA VAL 106 -6.412 11.321 6.407 836 HB VAL 106 HB VAL 106 -8.273 10.613 4.136 837 HG11 VAL 106 1HG1 VAL 106 -9.425 9.755 6.463 838 HG12 VAL 106 2HG1 VAL 106 -8.520 8.739 5.339 839 HG13 VAL 106 3HG1 VAL 106 -7.716 9.428 6.749 840 HG21 VAL 106 3HG2 VAL 106 -9.513 11.780 6.467 841 HG22 VAL 106 1HG2 VAL 106 -8.325 12.875 5.759 842 HG23 VAL 106 2HG2 VAL 106 -9.645 12.247 4.771 843 H VAL 107 H VAL 107 -6.300 10.342 2.980 844 HA VAL 107 HA VAL 107 -5.376 7.736 3.402 845 HB VAL 107 HB VAL 107 -6.275 8.544 1.246 846 HG11 VAL 107 1HG1 VAL 107 -5.017 9.900 -0.236 847 HG12 VAL 107 2HG1 VAL 107 -5.004 10.721 1.325 848 HG13 VAL 107 3HG1 VAL 107 -3.586 9.817 0.791 849 HG21 VAL 107 3HG2 VAL 107 -3.503 7.530 0.735 850 HG22 VAL 107 1HG2 VAL 107 -4.695 6.525 1.561 851 HG23 VAL 107 2HG2 VAL 107 -5.011 7.106 -0.074 852 H GLU 108 H GLU 108 -3.578 10.738 2.799 853 HA GLU 108 HA GLU 108 -1.013 9.676 2.663 854 HB2 GLU 108 1HB GLU 108 -2.142 12.333 3.397 855 HB3 GLU 108 2HB GLU 108 -0.451 12.030 3.770 856 HG2 GLU 108 1HG GLU 108 -0.481 13.072 1.666 857 HG3 GLU 108 2HG GLU 108 -0.158 11.367 1.359 858 H LEU 109 H LEU 109 -2.797 10.839 5.509 859 HA LEU 109 HA LEU 109 -0.873 10.517 7.450 860 HB2 LEU 109 1HB LEU 109 -3.841 10.040 7.586 861 HB3 LEU 109 2HB LEU 109 -2.795 10.045 9.004 862 HG LEU 109 HG LEU 109 -3.358 12.372 7.169 863 HD11 LEU 109 1HD1 LEU 109 -5.099 11.611 8.877 864 HD12 LEU 109 2HD1 LEU 109 -4.594 13.300 8.923 865 HD13 LEU 109 3HD1 LEU 109 -3.952 12.156 10.102 866 HD21 LEU 109 3HD2 LEU 109 -1.409 13.205 7.834 867 HD22 LEU 109 1HD2 LEU 109 -1.136 11.850 8.929 868 HD23 LEU 109 2HD2 LEU 109 -2.057 13.251 9.475 869 H VAL 110 H VAL 110 -2.395 8.101 5.578 870 HA VAL 110 HA VAL 110 -1.627 5.978 7.449 871 HB VAL 110 HB VAL 110 -3.166 5.699 4.867 872 HG11 VAL 110 1HG1 VAL 110 -3.820 3.531 5.770 873 HG12 VAL 110 2HG1 VAL 110 -2.064 3.656 5.644 874 HG13 VAL 110 3HG1 VAL 110 -2.851 3.829 7.213 875 HG21 VAL 110 3HG2 VAL 110 -5.055 5.310 6.679 876 HG22 VAL 110 1HG2 VAL 110 -4.036 6.399 7.620 877 HG23 VAL 110 2HG2 VAL 110 -4.681 6.920 6.064 878 H LEU 111 H LEU 111 -0.819 7.375 4.371 879 HA LEU 111 HA LEU 111 0.772 5.195 3.433 880 HB2 LEU 111 1HB LEU 111 0.797 8.100 2.627 881 HB3 LEU 111 2HB LEU 111 1.574 6.783 1.751 882 HG LEU 111 HG LEU 111 -1.401 7.067 2.169 883 HD11 LEU 111 1HD1 LEU 111 -1.080 7.336 -0.463 884 HD12 LEU 111 2HD1 LEU 111 0.444 8.043 0.071 885 HD13 LEU 111 3HD1 LEU 111 -1.085 8.711 0.641 886 HD21 LEU 111 3HD2 LEU 111 -1.460 5.320 0.370 887 HD22 LEU 111 1HD2 LEU 111 -0.840 4.767 1.926 888 HD23 LEU 111 2HD2 LEU 111 0.276 5.114 0.605 889 H ILE 112 H ILE 112 1.379 8.110 5.292 890 HA ILE 112 HA ILE 112 4.148 8.231 5.164 891 HB ILE 112 HB ILE 112 2.123 9.124 7.140 892 HG12 ILE 112 1HG1 ILE 112 4.491 10.599 5.995 893 HG13 ILE 112 2HG1 ILE 112 2.985 10.407 5.104 894 HG21 ILE 112 1HG2 ILE 112 4.983 8.609 7.800 895 HG22 ILE 112 2HG2 ILE 112 4.183 10.023 8.484 896 HG23 ILE 112 3HG2 ILE 112 3.543 8.410 8.797 897 HD11 ILE 112 3HD1 ILE 112 3.458 11.900 7.660 898 HD12 ILE 112 1HD1 ILE 112 2.873 12.518 6.116 899 HD13 ILE 112 2HD1 ILE 112 1.843 11.472 7.095 900 HA PRO 113 HA PRO 113 4.374 5.323 9.020 901 HB2 PRO 113 1HB PRO 113 2.098 4.026 9.732 902 HB3 PRO 113 2HB PRO 113 2.537 5.615 10.369 903 HG2 PRO 113 1HG PRO 113 0.640 4.919 8.160 904 HG3 PRO 113 2HG PRO 113 0.451 6.104 9.466 905 HD2 PRO 113 1HD PRO 113 1.163 6.809 6.950 906 HD3 PRO 113 2HD PRO 113 1.731 7.686 8.385 907 H LEU 114 H LEU 114 2.036 4.332 6.545 908 HA LEU 114 HA LEU 114 2.303 1.629 6.500 909 HB2 LEU 114 1HB LEU 114 0.849 2.838 4.983 910 HB3 LEU 114 2HB LEU 114 2.247 3.482 4.123 911 HG LEU 114 HG LEU 114 2.810 1.184 3.397 912 HD11 LEU 114 1HD1 LEU 114 0.513 -0.258 3.668 913 HD12 LEU 114 2HD1 LEU 114 0.621 0.551 5.231 914 HD13 LEU 114 3HD1 LEU 114 1.956 -0.451 4.663 915 HD21 LEU 114 3HD2 LEU 114 1.571 1.490 1.564 916 HD22 LEU 114 1HD2 LEU 114 0.908 2.896 2.396 917 HD23 LEU 114 2HD2 LEU 114 0.056 1.353 2.458 918 H ARG 115 H ARG 115 4.405 3.858 4.671 919 HA ARG 115 HA ARG 115 6.202 1.909 3.766 920 HB2 ARG 115 1HB ARG 115 6.126 4.110 2.758 921 HB3 ARG 115 2HB ARG 115 6.618 4.858 4.271 922 HG2 ARG 115 1HG ARG 115 8.715 3.308 3.992 923 HG3 ARG 115 2HG ARG 115 8.233 3.333 2.295 924 HD2 ARG 115 1HD ARG 115 8.396 5.716 2.212 925 HD3 ARG 115 2HD ARG 115 8.625 5.813 3.957 926 HE ARG 115 HE ARG 115 10.632 4.274 2.575 927 HH11 ARG 115 1HH1 ARG 115 9.673 7.429 3.691 928 HH12 ARG 115 2HH1 ARG 115 11.289 8.053 3.719 929 HH21 ARG 115 1HH2 ARG 115 12.764 5.084 2.608 930 HH22 ARG 115 2HH2 ARG 115 13.046 6.719 3.103 931 H GLN 116 H GLN 116 6.399 4.074 6.582 932 HA GLN 116 HA GLN 116 8.860 3.419 7.575 933 HB2 GLN 116 1HB GLN 116 6.285 3.985 9.037 934 HB3 GLN 116 2HB GLN 116 7.824 3.804 9.868 935 HG2 GLN 116 1HG GLN 116 8.644 5.630 8.229 936 HG3 GLN 116 2HG GLN 116 6.926 5.956 8.006 937 HE21 GLN 116 1HE2 GLN 116 7.165 8.010 8.919 938 HE22 GLN 116 2HE2 GLN 116 7.350 8.232 10.622 939 H ARG 117 H ARG 117 5.833 1.633 8.050 940 HA ARG 117 HA ARG 117 6.891 -0.337 9.768 941 HB2 ARG 117 1HB ARG 117 4.508 -0.380 7.913 942 HB3 ARG 117 2HB ARG 117 4.880 -1.671 9.047 943 HG2 ARG 117 1HG ARG 117 4.521 1.169 9.941 944 HG3 ARG 117 2HG ARG 117 3.161 0.058 9.762 945 HD2 ARG 117 1HD ARG 117 5.579 -0.371 11.514 946 HD3 ARG 117 2HD ARG 117 3.979 0.121 12.068 947 HE ARG 117 HE ARG 117 3.463 -2.183 10.782 948 HH11 ARG 117 1HH1 ARG 117 5.809 -1.318 13.204 949 HH12 ARG 117 2HH1 ARG 117 5.861 -2.901 13.906 950 HH21 ARG 117 1HH2 ARG 117 3.523 -4.272 11.697 951 HH22 ARG 117 2HH2 ARG 117 4.561 -4.581 13.048 952 H LEU 118 H LEU 118 6.179 -0.480 6.275 953 HA LEU 118 HA LEU 118 6.985 -2.967 5.616 954 HB2 LEU 118 1HB LEU 118 7.531 -0.381 4.184 955 HB3 LEU 118 2HB LEU 118 7.909 -1.952 3.480 956 HG LEU 118 HG LEU 118 5.127 -1.305 4.394 957 HD11 LEU 118 1HD1 LEU 118 5.599 -0.977 1.544 958 HD12 LEU 118 2HD1 LEU 118 6.429 0.233 2.522 959 HD13 LEU 118 3HD1 LEU 118 4.683 0.029 2.666 960 HD21 LEU 118 3HD2 LEU 118 6.007 -3.036 2.107 961 HD22 LEU 118 1HD2 LEU 118 4.485 -3.063 2.997 962 HD23 LEU 118 2HD2 LEU 118 5.964 -3.644 3.762 963 H GLU 119 H GLU 119 9.132 -0.232 6.270 964 HA GLU 119 HA GLU 119 11.540 -1.596 5.655 965 HB2 GLU 119 1HB GLU 119 10.942 0.866 7.287 966 HB3 GLU 119 2HB GLU 119 12.577 0.260 7.065 967 HG2 GLU 119 1HG GLU 119 10.904 0.717 4.654 968 HG3 GLU 119 2HG GLU 119 11.566 2.115 5.500 969 H GLU 120 H GLU 120 9.801 -1.008 8.688 970 HA GLU 120 HA GLU 120 11.549 -1.949 10.552 971 HB2 GLU 120 1HB GLU 120 9.030 -1.170 10.716 972 HB3 GLU 120 2HB GLU 120 8.723 -2.901 10.726 973 HG2 GLU 120 1HG GLU 120 10.378 -3.047 12.633 974 HG3 GLU 120 2HG GLU 120 10.299 -1.288 12.705 975 H ARG 121 H ARG 121 9.465 -3.892 8.450 976 HA ARG 121 HA ARG 121 10.187 -6.397 9.562 977 HB2 ARG 121 1HB ARG 121 8.774 -5.468 7.115 978 HB3 ARG 121 2HB ARG 121 9.407 -7.109 7.107 979 HG2 ARG 121 1HG ARG 121 8.181 -7.403 9.328 980 HG3 ARG 121 2HG ARG 121 7.334 -5.913 8.908 981 HD2 ARG 121 1HD ARG 121 5.928 -7.575 8.092 982 HD3 ARG 121 2HD ARG 121 6.841 -7.081 6.667 983 HE ARG 121 HE ARG 121 8.101 -9.255 7.989 984 HH11 ARG 121 1HH1 ARG 121 5.434 -8.454 5.900 985 HH12 ARG 121 2HH1 ARG 121 5.372 -10.021 5.162 986 HH21 ARG 121 1HH2 ARG 121 8.029 -11.321 7.025 987 HH22 ARG 121 2HH2 ARG 121 6.848 -11.651 5.804 988 H GLN 122 H GLN 122 11.390 -4.537 6.801 989 HA GLN 122 HA GLN 122 13.023 -6.209 5.489 990 HB2 GLN 122 1HB GLN 122 12.786 -3.602 5.379 991 HB3 GLN 122 2HB GLN 122 14.219 -3.619 6.397 992 HG2 GLN 122 1HG GLN 122 15.369 -4.979 4.682 993 HG3 GLN 122 2HG GLN 122 13.948 -4.819 3.652 994 HE21 GLN 122 1HE2 GLN 122 15.538 -3.886 2.169 995 HE22 GLN 122 2HE2 GLN 122 15.901 -2.202 2.298 996 H ARG 123 H ARG 123 13.954 -4.582 8.519 997 HA ARG 123 HA ARG 123 16.349 -6.188 8.736 998 HB2 ARG 123 1HB ARG 123 16.733 -4.933 10.817 999 HB3 ARG 123 2HB ARG 123 16.412 -3.863 9.459 1000 HG2 ARG 123 1HG ARG 123 13.936 -4.042 10.368 1001 HG3 ARG 123 2HG ARG 123 14.781 -4.413 11.873 1002 HD2 ARG 123 1HD ARG 123 16.063 -2.343 11.666 1003 HD3 ARG 123 2HD ARG 123 15.235 -1.977 10.153 1004 HE ARG 123 HE ARG 123 13.474 -1.192 11.370 1005 HH11 ARG 123 1HH1 ARG 123 15.399 -3.262 13.403 1006 HH12 ARG 123 2HH1 ARG 123 14.489 -2.917 14.837 1007 HH21 ARG 123 1HH2 ARG 123 12.269 -0.731 13.251 1008 HH22 ARG 123 2HH2 ARG 123 12.709 -1.479 14.749 1009 H ARG 124 H ARG 124 13.271 -5.864 10.472 1010 HA ARG 124 HA ARG 124 13.461 -7.441 12.604 1011 HB2 ARG 124 1HB ARG 124 11.356 -6.502 11.245 1012 HB3 ARG 124 2HB ARG 124 11.218 -8.200 10.808 1013 HG2 ARG 124 1HG ARG 124 11.370 -8.667 13.319 1014 HG3 ARG 124 2HG ARG 124 11.044 -6.944 13.521 1015 HD2 ARG 124 1HD ARG 124 8.903 -7.117 12.738 1016 HD3 ARG 124 2HD ARG 124 9.276 -8.499 11.709 1017 HE ARG 124 HE ARG 124 8.236 -8.600 14.325 1018 HH11 ARG 124 1HH1 ARG 124 10.571 -10.175 12.279 1019 HH12 ARG 124 2HH1 ARG 124 10.450 -11.699 13.093 1020 HH21 ARG 124 1HH2 ARG 124 8.068 -10.601 15.405 1021 HH22 ARG 124 2HH2 ARG 124 9.025 -11.941 14.871 1022 H ARG 125 H ARG 125 12.995 -8.767 9.329 1023 HA ARG 125 HA ARG 125 13.690 -11.426 10.325 1024 HB2 ARG 125 1HB ARG 125 12.863 -12.273 8.234 1025 HB3 ARG 125 2HB ARG 125 11.696 -11.114 8.857 1026 HG2 ARG 125 1HG ARG 125 12.255 -9.510 7.259 1027 HG3 ARG 125 2HG ARG 125 13.784 -10.301 6.870 1028 HD2 ARG 125 1HD ARG 125 12.432 -12.241 6.007 1029 HD3 ARG 125 2HD ARG 125 11.001 -11.228 6.190 1030 HE ARG 125 HE ARG 125 11.584 -10.153 4.267 1031 HH11 ARG 125 1HH1 ARG 125 14.401 -11.749 5.546 1032 HH12 ARG 125 2HH1 ARG 125 15.399 -11.362 4.184 1033 HH21 ARG 125 1HH2 ARG 125 12.888 -9.637 2.468 1034 HH22 ARG 125 2HH2 ARG 125 14.538 -10.160 2.435 1035 H LYS 126 H LYS 126 15.408 -12.631 9.526 1036 HA LYS 126 HA LYS 126 17.797 -11.330 9.027 1037 HB2 LYS 126 1HB LYS 126 16.835 -14.127 8.723 1038 HB3 LYS 126 2HB LYS 126 18.348 -13.708 7.930 1039 HG2 LYS 126 1HG LYS 126 19.461 -13.420 9.893 1040 HG3 LYS 126 2HG LYS 126 18.014 -12.919 10.770 1041 HD2 LYS 126 1HD LYS 126 18.295 -14.996 11.674 1042 HD3 LYS 126 2HD LYS 126 17.301 -15.425 10.280 1043 HE2 LYS 126 1HE LYS 126 20.316 -15.504 10.334 1044 HE3 LYS 126 2HE LYS 126 19.272 -16.902 10.590 1045 HZ1 LYS 126 3HZ LYS 126 19.504 -15.272 8.121 1046 HZ2 LYS 126 1HZ LYS 126 18.324 -16.461 8.355 1047 HZ3 LYS 126 2HZ LYS 126 19.960 -16.888 8.327 1048 H GLN 127 H GLN 127 18.837 -10.586 7.264 1049 HA GLN 127 HA GLN 127 17.351 -10.531 4.761 1050 HB2 GLN 127 1HB GLN 127 18.372 -8.463 5.774 1051 HB3 GLN 127 2HB GLN 127 19.952 -9.145 5.412 1052 HG2 GLN 127 1HG GLN 127 19.645 -7.807 3.593 1053 HG3 GLN 127 2HG GLN 127 18.984 -9.326 2.990 1054 HE21 GLN 127 1HE2 GLN 127 18.394 -6.059 3.585 1055 HE22 GLN 127 2HE2 GLN 127 16.703 -6.043 3.233 Start of MODEL 17 1 H1 GLY 1 H GLY 1 11.747 19.622 -10.230 2 HA2 GLY 1 1HA GLY 1 10.973 22.236 -9.108 3 HA3 GLY 1 2HA GLY 1 10.556 20.752 -8.265 4 H SER 2 H SER 2 11.777 21.760 -6.499 5 HA SER 2 HA SER 2 14.466 20.752 -6.446 6 HB2 SER 2 1HB SER 2 13.949 23.722 -6.479 7 HB3 SER 2 2HB SER 2 15.391 23.041 -5.725 8 HG SER 2 HG SER 2 14.628 22.487 -8.397 9 H SER 3 H SER 3 15.525 21.533 -4.258 10 HA SER 3 HA SER 3 13.734 22.139 -2.119 11 HB2 SER 3 1HB SER 3 13.353 19.631 -2.745 12 HB3 SER 3 2HB SER 3 14.892 19.376 -1.924 13 HG SER 3 HG SER 3 12.637 19.428 -0.759 14 H GLY 4 H GLY 4 14.912 21.680 0.070 15 HA2 GLY 4 1HA GLY 4 17.820 21.912 -0.221 16 HA3 GLY 4 2HA GLY 4 16.962 23.231 0.561 17 H SER 5 H SER 5 18.907 22.007 1.962 18 HA SER 5 HA SER 5 17.420 20.347 3.892 19 HB2 SER 5 1HB SER 5 19.542 19.239 4.452 20 HB3 SER 5 2HB SER 5 19.160 19.041 2.742 21 HG SER 5 HG SER 5 21.398 19.780 3.507 22 H SER 6 H SER 6 17.097 21.325 5.765 23 HA SER 6 HA SER 6 19.181 23.066 6.860 24 HB2 SER 6 1HB SER 6 16.273 23.841 6.543 25 HB3 SER 6 2HB SER 6 17.427 24.722 7.544 26 HG SER 6 HG SER 6 18.088 24.206 4.874 27 H GLY 7 H GLY 7 18.975 23.435 9.167 28 HA2 GLY 7 1HA GLY 7 17.636 21.162 10.477 29 HA3 GLY 7 2HA GLY 7 19.031 22.022 11.112 30 H MET 8 H MET 8 15.583 22.380 10.380 31 HA MET 8 HA MET 8 15.384 24.196 12.686 32 HB2 MET 8 1HB MET 8 15.238 25.540 10.656 33 HB3 MET 8 2HB MET 8 13.968 24.496 10.032 34 HG2 MET 8 1HG MET 8 12.608 25.156 12.053 35 HG3 MET 8 2HG MET 8 13.832 26.387 12.358 36 HE1 MET 8 3HE MET 8 14.729 27.793 10.541 37 HE2 MET 8 1HE MET 8 14.241 27.458 8.880 38 HE3 MET 8 2HE MET 8 13.620 28.884 9.711 39 H ALA 9 H ALA 9 14.680 22.458 13.969 40 HA ALA 9 HA ALA 9 12.660 20.645 13.336 41 HB1 ALA 9 3HB ALA 9 13.752 21.694 15.912 42 HB2 ALA 9 1HB ALA 9 12.347 20.627 15.915 43 HB3 ALA 9 2HB ALA 9 13.871 20.077 15.219 44 H SER 10 H SER 10 10.500 20.752 13.246 45 HA SER 10 HA SER 10 8.947 22.645 14.701 46 HB2 SER 10 1HB SER 10 9.869 24.095 12.879 47 HB3 SER 10 2HB SER 10 9.060 23.057 11.705 48 HG SER 10 HG SER 10 7.276 24.074 12.109 49 H SER 11 H SER 11 6.755 22.170 14.658 50 HA SER 11 HA SER 11 5.942 19.593 14.312 51 HB2 SER 11 1HB SER 11 4.224 22.060 13.948 52 HB3 SER 11 2HB SER 11 3.624 20.434 14.278 53 HG SER 11 HG SER 11 4.022 20.756 16.307 54 H VAL 12 H VAL 12 4.206 18.797 12.753 55 HA VAL 12 HA VAL 12 5.244 18.489 10.219 56 HB VAL 12 HB VAL 12 2.337 18.321 11.026 57 HG11 VAL 12 1HG1 VAL 12 2.030 18.168 8.804 58 HG12 VAL 12 2HG1 VAL 12 3.732 17.824 8.488 59 HG13 VAL 12 3HG1 VAL 12 2.653 16.532 9.015 60 HG21 VAL 12 3HG2 VAL 12 3.837 16.880 12.340 61 HG22 VAL 12 1HG2 VAL 12 2.754 15.946 11.308 62 HG23 VAL 12 2HG2 VAL 12 4.441 16.165 10.845 63 H ASP 13 H ASP 13 4.882 19.410 8.218 64 HA ASP 13 HA ASP 13 3.145 21.737 8.013 65 HB2 ASP 13 1HB ASP 13 5.034 23.058 6.953 66 HB3 ASP 13 2HB ASP 13 5.139 22.838 8.698 67 H GLU 14 H GLU 14 3.162 22.592 5.703 68 HA GLU 14 HA GLU 14 2.303 20.709 3.931 69 HB2 GLU 14 1HB GLU 14 3.754 23.262 3.209 70 HB3 GLU 14 2HB GLU 14 2.696 22.344 2.145 71 HG2 GLU 14 1HG GLU 14 0.976 22.732 4.111 72 HG3 GLU 14 2HG GLU 14 2.025 24.112 4.429 73 H GLU 15 H GLU 15 5.618 21.901 4.301 74 HA GLU 15 HA GLU 15 6.779 20.554 2.150 75 HB2 GLU 15 1HB GLU 15 7.758 22.322 3.813 76 HB3 GLU 15 2HB GLU 15 8.261 20.910 4.730 77 HG2 GLU 15 1HG GLU 15 9.685 20.168 3.033 78 HG3 GLU 15 2HG GLU 15 8.932 21.210 1.827 79 H ALA 16 H ALA 16 6.362 19.522 5.522 80 HA ALA 16 HA ALA 16 7.696 17.157 5.587 81 HB1 ALA 16 3HB ALA 16 4.911 17.374 6.693 82 HB2 ALA 16 1HB ALA 16 6.282 16.467 7.333 83 HB3 ALA 16 2HB ALA 16 6.278 18.229 7.406 84 H LEU 17 H LEU 17 4.461 17.678 4.222 85 HA LEU 17 HA LEU 17 3.876 15.031 3.561 86 HB2 LEU 17 1HB LEU 17 3.015 17.677 2.466 87 HB3 LEU 17 2HB LEU 17 2.504 16.185 1.678 88 HG LEU 17 HG LEU 17 1.968 16.814 4.577 89 HD11 LEU 17 1HD1 LEU 17 0.526 17.577 2.105 90 HD12 LEU 17 2HD1 LEU 17 0.627 18.399 3.662 91 HD13 LEU 17 3HD1 LEU 17 -0.440 17.008 3.467 92 HD21 LEU 17 3HD2 LEU 17 1.407 14.556 2.764 93 HD22 LEU 17 1HD2 LEU 17 0.076 15.068 3.801 94 HD23 LEU 17 2HD2 LEU 17 1.615 14.585 4.515 95 H HIS 18 H HIS 18 5.126 17.574 1.389 96 HA HIS 18 HA HIS 18 5.543 16.275 -0.911 97 HB2 HIS 18 1HB HIS 18 6.297 18.626 -0.296 98 HB3 HIS 18 2HB HIS 18 7.775 17.892 0.319 99 HD1 HIS 18 1HD HIS 18 9.407 18.750 -1.388 100 HD2 HIS 18 2HD HIS 18 6.107 16.904 -3.111 101 HE1 HIS 18 1HE HIS 18 9.941 18.569 -3.839 102 HE2 HIS 18 2HE HIS 18 7.895 17.527 -4.874 103 H GLN 19 H GLN 19 7.871 16.142 1.787 104 HA GLN 19 HA GLN 19 9.804 14.530 0.844 105 HB2 GLN 19 1HB GLN 19 8.445 14.454 3.530 106 HB3 GLN 19 2HB GLN 19 9.848 13.457 3.169 107 HG2 GLN 19 1HG GLN 19 9.766 16.461 3.001 108 HG3 GLN 19 2HG GLN 19 10.429 15.530 4.344 109 HE21 GLN 19 1HE2 GLN 19 11.243 17.210 1.681 110 HE22 GLN 19 2HE2 GLN 19 12.748 16.456 1.293 111 H LEU 20 H LEU 20 6.771 13.286 2.246 112 HA LEU 20 HA LEU 20 7.251 10.582 1.709 113 HB2 LEU 20 1HB LEU 20 5.540 11.075 3.231 114 HB3 LEU 20 2HB LEU 20 4.748 12.183 2.113 115 HG LEU 20 HG LEU 20 4.447 9.936 0.716 116 HD11 LEU 20 1HD1 LEU 20 4.966 9.082 3.522 117 HD12 LEU 20 2HD1 LEU 20 5.402 8.299 2.003 118 HD13 LEU 20 3HD1 LEU 20 3.737 8.236 2.581 119 HD21 LEU 20 3HD2 LEU 20 2.654 10.516 3.060 120 HD22 LEU 20 1HD2 LEU 20 2.215 9.873 1.477 121 HD23 LEU 20 2HD2 LEU 20 2.728 11.553 1.634 122 H TYR 21 H TYR 21 5.642 13.074 -0.220 123 HA TYR 21 HA TYR 21 4.694 11.471 -2.291 124 HB2 TYR 21 1HB TYR 21 5.490 14.351 -2.094 125 HB3 TYR 21 2HB TYR 21 5.102 13.668 -3.670 126 HD1 TYR 21 1HD TYR 21 3.676 13.681 -0.208 127 HD2 TYR 21 2HD TYR 21 2.931 13.924 -4.390 128 HE1 TYR 21 1HE TYR 21 1.282 14.019 0.244 129 HE2 TYR 21 2HE TYR 21 0.536 14.264 -3.950 130 HH TYR 21 HH TYR 21 -0.756 15.290 -1.493 131 H LEU 22 H LEU 22 7.772 13.259 -2.110 132 HA LEU 22 HA LEU 22 8.855 12.472 -4.531 133 HB2 LEU 22 1HB LEU 22 10.286 12.943 -1.921 134 HB3 LEU 22 2HB LEU 22 11.055 12.890 -3.506 135 HG LEU 22 HG LEU 22 8.957 14.915 -2.744 136 HD11 LEU 22 1HD1 LEU 22 11.730 15.812 -2.983 137 HD12 LEU 22 2HD1 LEU 22 11.423 14.774 -1.592 138 HD13 LEU 22 3HD1 LEU 22 10.488 16.253 -1.812 139 HD21 LEU 22 3HD2 LEU 22 9.182 15.738 -4.810 140 HD22 LEU 22 1HD2 LEU 22 9.898 14.176 -5.208 141 HD23 LEU 22 2HD2 LEU 22 10.936 15.542 -4.797 142 H TRP 23 H TRP 23 9.369 10.931 -1.356 143 HA TRP 23 HA TRP 23 10.981 8.859 -1.962 144 HB2 TRP 23 1HB TRP 23 10.346 8.847 0.253 145 HB3 TRP 23 2HB TRP 23 8.642 9.091 -0.123 146 HD1 TRP 23 HD TRP 23 11.249 6.238 -0.577 147 HE1 TRP 23 1HE TRP 23 10.053 4.004 -0.127 148 HE3 TRP 23 3HE TRP 23 6.531 8.005 0.290 149 HZ2 TRP 23 2HZ TRP 23 7.453 3.110 0.511 150 HZ3 TRP 23 3HZ TRP 23 4.746 6.395 0.812 151 HH2 TRP 23 HH TRP 23 5.199 3.998 0.919 152 H VAL 24 H VAL 24 7.558 9.092 -2.770 153 HA VAL 24 HA VAL 24 7.124 6.485 -3.661 154 HB VAL 24 HB VAL 24 5.893 9.032 -4.724 155 HG11 VAL 24 1HG1 VAL 24 5.727 6.700 -5.977 156 HG12 VAL 24 2HG1 VAL 24 4.470 6.428 -4.769 157 HG13 VAL 24 3HG1 VAL 24 4.355 7.802 -5.869 158 HG21 VAL 24 3HG2 VAL 24 4.941 9.177 -2.717 159 HG22 VAL 24 1HG2 VAL 24 4.081 7.683 -3.091 160 HG23 VAL 24 2HG2 VAL 24 5.613 7.624 -2.220 161 H ASP 25 H ASP 25 7.907 9.353 -5.636 162 HA ASP 25 HA ASP 25 8.108 8.398 -8.116 163 HB2 ASP 25 1HB ASP 25 8.761 10.665 -7.645 164 HB3 ASP 25 2HB ASP 25 10.155 10.123 -6.714 165 H ASN 26 H ASN 26 10.724 8.007 -5.728 166 HA ASN 26 HA ASN 26 12.575 6.629 -7.155 167 HB2 ASN 26 1HB ASN 26 12.903 7.209 -4.810 168 HB3 ASN 26 2HB ASN 26 11.684 6.034 -4.325 169 HD21 ASN 26 1HD2 ASN 26 14.772 6.315 -6.021 170 HD22 ASN 26 2HD2 ASN 26 15.383 4.777 -5.525 171 H ILE 27 H ILE 27 9.900 5.077 -5.376 172 HA ILE 27 HA ILE 27 10.393 2.502 -6.469 173 HB ILE 27 HB ILE 27 7.933 3.620 -5.122 174 HG12 ILE 27 1HG1 ILE 27 10.036 1.733 -4.049 175 HG13 ILE 27 2HG1 ILE 27 10.067 3.473 -3.789 176 HG21 ILE 27 1HG2 ILE 27 7.694 0.984 -4.759 177 HG22 ILE 27 2HG2 ILE 27 6.968 1.831 -6.123 178 HG23 ILE 27 3HG2 ILE 27 8.498 0.979 -6.328 179 HD11 ILE 27 3HD1 ILE 27 8.434 1.401 -2.521 180 HD12 ILE 27 1HD1 ILE 27 8.980 2.960 -1.904 181 HD13 ILE 27 2HD1 ILE 27 7.566 2.873 -2.954 182 HA PRO 28 HA PRO 28 8.556 3.220 -10.456 183 HB2 PRO 28 1HB PRO 28 8.786 0.664 -11.342 184 HB3 PRO 28 2HB PRO 28 10.152 1.784 -11.273 185 HG2 PRO 28 1HG PRO 28 9.377 -0.379 -9.354 186 HG3 PRO 28 2HG PRO 28 10.984 0.048 -9.969 187 HD2 PRO 28 1HD PRO 28 10.109 0.815 -7.524 188 HD3 PRO 28 2HD PRO 28 11.221 1.802 -8.493 189 H LEU 29 H LEU 29 6.420 3.488 -10.603 190 HA LEU 29 HA LEU 29 4.679 1.186 -10.054 191 HB2 LEU 29 1HB LEU 29 4.132 4.039 -9.247 192 HB3 LEU 29 2HB LEU 29 3.007 2.692 -9.080 193 HG LEU 29 HG LEU 29 5.672 2.619 -7.716 194 HD11 LEU 29 1HD1 LEU 29 3.226 4.139 -6.879 195 HD12 LEU 29 2HD1 LEU 29 4.906 4.673 -6.912 196 HD13 LEU 29 3HD1 LEU 29 4.376 3.508 -5.700 197 HD21 LEU 29 3HD2 LEU 29 3.797 1.488 -6.093 198 HD22 LEU 29 1HD2 LEU 29 4.800 0.609 -7.247 199 HD23 LEU 29 2HD2 LEU 29 3.168 1.103 -7.696 200 H SER 30 H SER 30 3.464 0.693 -11.749 201 HA SER 30 HA SER 30 3.371 2.413 -14.045 202 HB2 SER 30 1HB SER 30 1.987 -0.224 -13.499 203 HB3 SER 30 2HB SER 30 2.038 0.590 -15.062 204 HG SER 30 HG SER 30 3.728 -1.133 -14.316 205 H ARG 31 H ARG 31 2.232 4.252 -13.479 206 HA ARG 31 HA ARG 31 -0.660 3.922 -13.414 207 HB2 ARG 31 1HB ARG 31 -1.041 5.179 -11.462 208 HB3 ARG 31 2HB ARG 31 0.243 4.059 -11.026 209 HG2 ARG 31 1HG ARG 31 1.886 5.752 -11.124 210 HG3 ARG 31 2HG ARG 31 0.783 6.873 -11.925 211 HD2 ARG 31 1HD ARG 31 -0.319 7.386 -9.991 212 HD3 ARG 31 2HD ARG 31 -0.004 5.810 -9.266 213 HE ARG 31 HE ARG 31 2.444 6.869 -9.308 214 HH11 ARG 31 1HH1 ARG 31 -0.610 8.203 -8.300 215 HH12 ARG 31 2HH1 ARG 31 0.091 9.245 -7.106 216 HH21 ARG 31 1HH2 ARG 31 3.379 8.236 -7.739 217 HH22 ARG 31 2HH2 ARG 31 2.360 9.264 -6.789 218 HA PRO 32 HA PRO 32 -0.528 7.388 -16.113 219 HB2 PRO 32 1HB PRO 32 -3.026 8.382 -15.732 220 HB3 PRO 32 2HB PRO 32 -2.711 6.893 -16.631 221 HG2 PRO 32 1HG PRO 32 -3.601 7.241 -13.793 222 HG3 PRO 32 2HG PRO 32 -4.175 6.088 -15.013 223 HD2 PRO 32 1HD PRO 32 -2.420 5.400 -13.069 224 HD3 PRO 32 2HD PRO 32 -2.396 4.661 -14.683 225 H LYS 33 H LYS 33 -0.042 9.537 -16.085 226 HA LYS 33 HA LYS 33 0.134 10.802 -13.458 227 HB2 LYS 33 1HB LYS 33 1.548 12.483 -14.676 228 HB3 LYS 33 2HB LYS 33 2.181 10.843 -14.691 229 HG2 LYS 33 1HG LYS 33 0.474 11.668 -16.968 230 HG3 LYS 33 2HG LYS 33 2.097 12.355 -16.865 231 HD2 LYS 33 1HD LYS 33 3.119 10.343 -17.214 232 HD3 LYS 33 2HD LYS 33 1.809 9.425 -16.467 233 HE2 LYS 33 1HE LYS 33 0.476 10.325 -18.570 234 HE3 LYS 33 2HE LYS 33 2.097 10.414 -19.257 235 HZ1 LYS 33 3HZ LYS 33 0.857 7.988 -18.073 236 HZ2 LYS 33 1HZ LYS 33 2.407 8.077 -18.746 237 HZ3 LYS 33 2HZ LYS 33 1.047 8.290 -19.727 238 H ARG 34 H ARG 34 -2.431 10.736 -14.069 239 HA ARG 34 HA ARG 34 -3.072 13.377 -15.204 240 HB2 ARG 34 1HB ARG 34 -4.614 10.800 -15.096 241 HB3 ARG 34 2HB ARG 34 -5.442 12.336 -15.315 242 HG2 ARG 34 1HG ARG 34 -3.175 11.530 -17.098 243 HG3 ARG 34 2HG ARG 34 -4.824 10.974 -17.394 244 HD2 ARG 34 1HD ARG 34 -4.099 13.876 -17.060 245 HD3 ARG 34 2HD ARG 34 -4.118 13.064 -18.625 246 HE ARG 34 HE ARG 34 -6.564 12.797 -17.131 247 HH11 ARG 34 1HH1 ARG 34 -4.773 14.742 -19.396 248 HH12 ARG 34 2HH1 ARG 34 -6.183 15.497 -20.063 249 HH21 ARG 34 1HH2 ARG 34 -8.428 13.784 -18.000 250 HH22 ARG 34 2HH2 ARG 34 -8.261 14.952 -19.268 251 H ASN 35 H ASN 35 -3.924 11.115 -12.603 252 HA ASN 35 HA ASN 35 -4.545 13.414 -10.898 253 HB2 ASN 35 1HB ASN 35 -6.373 11.106 -11.512 254 HB3 ASN 35 2HB ASN 35 -6.496 11.971 -9.983 255 HD21 ASN 35 1HD2 ASN 35 -7.449 13.932 -9.924 256 HD22 ASN 35 2HD2 ASN 35 -8.146 14.713 -11.299 257 H LEU 36 H LEU 36 -3.336 13.275 -9.137 258 HA LEU 36 HA LEU 36 -2.082 10.794 -8.380 259 HB2 LEU 36 1HB LEU 36 -0.863 12.901 -8.256 260 HB3 LEU 36 2HB LEU 36 -2.028 13.517 -7.086 261 HG LEU 36 HG LEU 36 -0.525 11.034 -6.418 262 HD11 LEU 36 1HD1 LEU 36 1.353 12.295 -5.576 263 HD12 LEU 36 2HD1 LEU 36 0.641 13.801 -6.152 264 HD13 LEU 36 3HD1 LEU 36 1.176 12.581 -7.307 265 HD21 LEU 36 3HD2 LEU 36 -2.199 11.732 -4.873 266 HD22 LEU 36 1HD2 LEU 36 -1.607 13.393 -4.888 267 HD23 LEU 36 2HD2 LEU 36 -0.631 12.116 -4.160 268 H SER 37 H SER 37 -4.453 13.007 -6.939 269 HA SER 37 HA SER 37 -4.830 11.692 -4.516 270 HB2 SER 37 1HB SER 37 -5.757 13.912 -4.968 271 HB3 SER 37 2HB SER 37 -6.863 13.224 -6.157 272 HG SER 37 HG SER 37 -6.910 12.129 -3.600 273 H ARG 38 H ARG 38 -6.581 11.270 -7.583 274 HA ARG 38 HA ARG 38 -8.264 9.196 -6.632 275 HB2 ARG 38 1HB ARG 38 -7.549 10.288 -9.320 276 HB3 ARG 38 2HB ARG 38 -8.382 8.742 -9.230 277 HG2 ARG 38 1HG ARG 38 -10.002 10.082 -7.649 278 HG3 ARG 38 2HG ARG 38 -9.346 11.464 -8.530 279 HD2 ARG 38 1HD ARG 38 -10.248 9.108 -10.100 280 HD3 ARG 38 2HD ARG 38 -11.482 10.137 -9.374 281 HE ARG 38 HE ARG 38 -10.912 11.826 -10.841 282 HH11 ARG 38 1HH1 ARG 38 -8.613 9.220 -11.052 283 HH12 ARG 38 2HH1 ARG 38 -7.865 9.823 -12.494 284 HH21 ARG 38 1HH2 ARG 38 -9.935 12.630 -12.739 285 HH22 ARG 38 2HH2 ARG 38 -8.617 11.763 -13.452 286 H ASP 39 H ASP 39 -5.193 9.209 -8.390 287 HA ASP 39 HA ASP 39 -4.965 6.511 -8.970 288 HB2 ASP 39 1HB ASP 39 -2.990 8.695 -8.456 289 HB3 ASP 39 2HB ASP 39 -2.406 7.038 -8.578 290 H PHE 40 H PHE 40 -4.044 8.231 -6.008 291 HA PHE 40 HA PHE 40 -3.141 5.827 -4.710 292 HB2 PHE 40 1HB PHE 40 -3.357 8.705 -3.984 293 HB3 PHE 40 2HB PHE 40 -3.317 7.538 -2.667 294 HD1 PHE 40 1HD PHE 40 -1.388 5.841 -2.673 295 HD2 PHE 40 2HD PHE 40 -1.388 9.428 -4.965 296 HE1 PHE 40 1HE PHE 40 1.063 5.725 -2.849 297 HE2 PHE 40 2HE PHE 40 1.063 9.317 -5.145 298 HZ PHE 40 HZ PHE 40 2.292 7.463 -4.087 299 H SER 41 H SER 41 -5.926 8.006 -4.352 300 HA SER 41 HA SER 41 -7.287 7.078 -2.260 301 HB2 SER 41 1HB SER 41 -9.327 7.692 -3.312 302 HB3 SER 41 2HB SER 41 -8.094 8.722 -4.038 303 HG SER 41 HG SER 41 -9.403 7.846 -5.649 304 H ASP 42 H ASP 42 -6.941 5.347 -5.310 305 HA ASP 42 HA ASP 42 -8.639 3.172 -4.500 306 HB2 ASP 42 1HB ASP 42 -7.722 2.078 -6.581 307 HB3 ASP 42 2HB ASP 42 -8.524 3.624 -6.843 308 H GLY 43 H GLY 43 -8.089 1.492 -3.279 309 HA2 GLY 43 1HA GLY 43 -5.573 1.228 -2.070 310 HA3 GLY 43 2HA GLY 43 -6.823 -0.007 -2.090 311 H VAL 44 H VAL 44 -6.929 -0.349 -4.921 312 HA VAL 44 HA VAL 44 -5.272 -2.423 -5.398 313 HB VAL 44 HB VAL 44 -6.205 -0.355 -7.386 314 HG11 VAL 44 1HG1 VAL 44 -4.898 -1.275 -8.926 315 HG12 VAL 44 2HG1 VAL 44 -4.265 -2.422 -7.745 316 HG13 VAL 44 3HG1 VAL 44 -5.714 -2.817 -8.669 317 HG21 VAL 44 3HG2 VAL 44 -8.079 -1.442 -6.518 318 HG22 VAL 44 1HG2 VAL 44 -7.723 -2.340 -7.993 319 HG23 VAL 44 2HG2 VAL 44 -7.253 -2.997 -6.425 320 H LEU 45 H LEU 45 -4.485 0.983 -5.994 321 HA LEU 45 HA LEU 45 -1.912 0.496 -7.076 322 HB2 LEU 45 1HB LEU 45 -3.222 2.586 -7.371 323 HB3 LEU 45 2HB LEU 45 -2.907 2.976 -5.682 324 HG LEU 45 HG LEU 45 -0.458 2.983 -6.242 325 HD11 LEU 45 1HD1 LEU 45 -0.232 1.766 -8.201 326 HD12 LEU 45 2HD1 LEU 45 -0.076 3.433 -8.755 327 HD13 LEU 45 3HD1 LEU 45 -1.597 2.568 -8.978 328 HD21 LEU 45 3HD2 LEU 45 -2.070 4.968 -7.833 329 HD22 LEU 45 1HD2 LEU 45 -0.488 5.204 -7.089 330 HD23 LEU 45 2HD2 LEU 45 -1.920 5.018 -6.076 331 H VAL 46 H VAL 46 -2.987 1.482 -3.831 332 HA VAL 46 HA VAL 46 -0.577 1.755 -2.555 333 HB VAL 46 HB VAL 46 -3.059 0.468 -1.408 334 HG11 VAL 46 1HG1 VAL 46 -0.458 0.958 -0.284 335 HG12 VAL 46 2HG1 VAL 46 -1.684 1.904 0.562 336 HG13 VAL 46 3HG1 VAL 46 -1.854 0.153 0.433 337 HG21 VAL 46 3HG2 VAL 46 -3.845 2.583 -0.869 338 HG22 VAL 46 1HG2 VAL 46 -2.256 3.328 -1.040 339 HG23 VAL 46 2HG2 VAL 46 -3.154 2.830 -2.473 340 H ALA 47 H ALA 47 -2.212 -1.207 -3.473 341 HA ALA 47 HA ALA 47 -0.700 -3.023 -1.954 342 HB1 ALA 47 3HB ALA 47 -1.899 -3.554 -4.665 343 HB2 ALA 47 1HB ALA 47 -1.548 -4.726 -3.394 344 HB3 ALA 47 2HB ALA 47 -2.826 -3.531 -3.165 345 H GLU 48 H GLU 48 -0.268 -1.912 -5.311 346 HA GLU 48 HA GLU 48 1.925 -3.385 -6.040 347 HB2 GLU 48 1HB GLU 48 1.013 -0.623 -6.737 348 HB3 GLU 48 2HB GLU 48 2.572 -1.184 -7.326 349 HG2 GLU 48 1HG GLU 48 1.308 -3.210 -8.223 350 HG3 GLU 48 2HG GLU 48 -0.154 -2.271 -7.928 351 H VAL 49 H VAL 49 1.926 -0.286 -4.301 352 HA VAL 49 HA VAL 49 4.616 0.199 -4.099 353 HB VAL 49 HB VAL 49 2.549 0.609 -1.934 354 HG11 VAL 49 1HG1 VAL 49 4.277 2.562 -1.472 355 HG12 VAL 49 2HG1 VAL 49 4.466 0.963 -0.749 356 HG13 VAL 49 3HG1 VAL 49 5.401 1.402 -2.179 357 HG21 VAL 49 3HG2 VAL 49 1.800 1.790 -3.813 358 HG22 VAL 49 1HG2 VAL 49 2.676 2.992 -2.865 359 HG23 VAL 49 2HG2 VAL 49 3.434 2.262 -4.280 360 H ILE 50 H ILE 50 2.665 -1.959 -2.077 361 HA ILE 50 HA ILE 50 4.701 -2.664 -0.264 362 HB ILE 50 HB ILE 50 2.297 -4.281 -1.118 363 HG12 ILE 50 1HG1 ILE 50 2.566 -2.652 1.398 364 HG13 ILE 50 2HG1 ILE 50 1.994 -1.923 -0.099 365 HG21 ILE 50 1HG2 ILE 50 3.346 -5.902 0.025 366 HG22 ILE 50 2HG2 ILE 50 4.458 -4.774 0.799 367 HG23 ILE 50 3HG2 ILE 50 2.834 -4.997 1.449 368 HD11 ILE 50 3HD1 ILE 50 0.562 -4.344 0.382 369 HD12 ILE 50 1HD1 ILE 50 0.511 -3.328 1.821 370 HD13 ILE 50 2HD1 ILE 50 -0.042 -2.691 0.272 371 H LYS 51 H LYS 51 3.696 -4.047 -3.353 372 HA LYS 51 HA LYS 51 4.913 -6.422 -3.530 373 HB2 LYS 51 1HB LYS 51 3.839 -4.931 -5.381 374 HB3 LYS 51 2HB LYS 51 5.496 -4.436 -5.703 375 HG2 LYS 51 1HG LYS 51 5.341 -6.164 -7.162 376 HG3 LYS 51 2HG LYS 51 5.885 -7.053 -5.737 377 HD2 LYS 51 1HD LYS 51 3.664 -7.772 -5.245 378 HD3 LYS 51 2HD LYS 51 2.982 -6.690 -6.461 379 HE2 LYS 51 1HE LYS 51 4.210 -7.975 -8.202 380 HE3 LYS 51 2HE LYS 51 4.719 -9.107 -6.949 381 HZ1 LYS 51 3HZ LYS 51 2.556 -9.857 -6.641 382 HZ2 LYS 51 1HZ LYS 51 2.668 -9.687 -8.321 383 HZ3 LYS 51 2HZ LYS 51 1.862 -8.516 -7.404 384 H PHE 52 H PHE 52 6.680 -3.393 -4.199 385 HA PHE 52 HA PHE 52 9.191 -4.271 -4.613 386 HB2 PHE 52 1HB PHE 52 8.653 -1.901 -4.581 387 HB3 PHE 52 2HB PHE 52 8.395 -1.954 -2.840 388 HD1 PHE 52 2HD PHE 52 10.415 -2.658 -1.395 389 HD2 PHE 52 1HD PHE 52 10.725 -1.333 -5.428 390 HE1 PHE 52 2HE PHE 52 12.784 -2.108 -1.028 391 HE2 PHE 52 1HE PHE 52 13.096 -0.782 -5.068 392 HZ PHE 52 HZ PHE 52 14.128 -1.168 -2.866 393 H TYR 53 H TYR 53 7.694 -3.907 -1.417 394 HA TYR 53 HA TYR 53 10.012 -5.053 -0.106 395 HB2 TYR 53 1HB TYR 53 7.335 -4.149 0.973 396 HB3 TYR 53 2HB TYR 53 8.658 -4.748 1.968 397 HD1 TYR 53 2HD TYR 53 7.576 -1.999 -0.242 398 HD2 TYR 53 1HD TYR 53 10.518 -3.357 2.515 399 HE1 TYR 53 2HE TYR 53 8.505 0.275 -0.123 400 HE2 TYR 53 1HE TYR 53 11.454 -1.086 2.644 401 HH TYR 53 HH TYR 53 10.039 1.592 0.784 402 H PHE 54 H PHE 54 6.535 -5.851 0.009 403 HA PHE 54 HA PHE 54 7.290 -8.698 0.029 404 HB2 PHE 54 1HB PHE 54 4.980 -7.449 1.531 405 HB3 PHE 54 2HB PHE 54 5.442 -9.148 1.552 406 HD1 PHE 54 1HD PHE 54 7.929 -9.595 2.303 407 HD2 PHE 54 2HD PHE 54 5.692 -6.097 3.242 408 HE1 PHE 54 1HE PHE 54 9.408 -9.169 4.223 409 HE2 PHE 54 2HE PHE 54 7.167 -5.666 5.163 410 HZ PHE 54 HZ PHE 54 9.028 -7.202 5.656 411 HA PRO 55 HA PRO 55 4.693 -8.405 -3.644 412 HB2 PRO 55 1HB PRO 55 5.434 -10.824 -4.627 413 HB3 PRO 55 2HB PRO 55 6.423 -9.371 -4.807 414 HG2 PRO 55 1HG PRO 55 6.679 -11.604 -2.829 415 HG3 PRO 55 2HG PRO 55 7.948 -10.770 -3.746 416 HD2 PRO 55 1HD PRO 55 7.409 -10.200 -1.154 417 HD3 PRO 55 2HD PRO 55 7.986 -8.974 -2.302 418 H LYS 56 H LYS 56 5.023 -11.350 -1.668 419 HA LYS 56 HA LYS 56 2.650 -12.597 -2.421 420 HB2 LYS 56 1HB LYS 56 2.825 -13.829 -0.289 421 HB3 LYS 56 2HB LYS 56 4.359 -13.758 -1.145 422 HG2 LYS 56 1HG LYS 56 5.106 -11.963 0.330 423 HG3 LYS 56 2HG LYS 56 3.562 -12.021 1.184 424 HD2 LYS 56 1HD LYS 56 4.819 -13.348 2.558 425 HD3 LYS 56 2HD LYS 56 4.202 -14.571 1.444 426 HE2 LYS 56 1HE LYS 56 6.550 -14.937 1.736 427 HE3 LYS 56 2HE LYS 56 6.288 -14.311 0.109 428 HZ1 LYS 56 3HZ LYS 56 7.627 -13.073 2.383 429 HZ2 LYS 56 1HZ LYS 56 6.720 -12.048 1.389 430 HZ3 LYS 56 2HZ LYS 56 7.977 -12.968 0.731 431 H MET 57 H MET 57 3.262 -10.292 0.207 432 HA MET 57 HA MET 57 0.737 -10.314 1.377 433 HB2 MET 57 1HB MET 57 2.684 -8.017 1.107 434 HB3 MET 57 2HB MET 57 1.301 -8.036 2.193 435 HG2 MET 57 1HG MET 57 3.266 -10.252 2.383 436 HG3 MET 57 2HG MET 57 3.721 -8.669 3.009 437 HE1 MET 57 3HE MET 57 2.229 -7.956 5.933 438 HE2 MET 57 1HE MET 57 2.297 -7.294 4.299 439 HE3 MET 57 2HE MET 57 0.743 -7.742 5.005 440 H VAL 58 H VAL 58 1.965 -8.388 -1.332 441 HA VAL 58 HA VAL 58 0.078 -6.563 -1.833 442 HB VAL 58 HB VAL 58 1.207 -8.470 -3.885 443 HG11 VAL 58 1HG1 VAL 58 -0.893 -6.675 -4.219 444 HG12 VAL 58 2HG1 VAL 58 0.522 -5.840 -4.863 445 HG13 VAL 58 3HG1 VAL 58 0.072 -7.427 -5.489 446 HG21 VAL 58 3HG2 VAL 58 2.562 -6.247 -4.310 447 HG22 VAL 58 1HG2 VAL 58 2.163 -5.954 -2.617 448 HG23 VAL 58 2HG2 VAL 58 3.062 -7.401 -3.073 449 H GLU 59 H GLU 59 -0.262 -9.874 -3.129 450 HA GLU 59 HA GLU 59 -2.094 -11.102 -3.692 451 HB2 GLU 59 1HB GLU 59 -3.387 -9.531 -1.455 452 HB3 GLU 59 2HB GLU 59 -3.990 -11.033 -2.142 453 HG2 GLU 59 1HG GLU 59 -1.299 -10.803 -0.829 454 HG3 GLU 59 2HG GLU 59 -2.769 -11.221 0.049 455 H MET 60 H MET 60 -1.702 -8.957 -5.344 456 HA MET 60 HA MET 60 -3.916 -7.251 -5.664 457 HB2 MET 60 1HB MET 60 -1.547 -7.154 -6.730 458 HB3 MET 60 2HB MET 60 -2.245 -8.177 -7.979 459 HG2 MET 60 1HG MET 60 -3.136 -5.416 -7.189 460 HG3 MET 60 2HG MET 60 -2.337 -5.893 -8.685 461 HE1 MET 60 3HE MET 60 -6.367 -4.885 -8.550 462 HE2 MET 60 1HE MET 60 -6.148 -5.726 -7.015 463 HE3 MET 60 2HE MET 60 -5.006 -4.474 -7.505 464 H HIS 61 H HIS 61 -3.083 -10.301 -7.302 465 HA HIS 61 HA HIS 61 -5.134 -10.561 -9.068 466 HB2 HIS 61 1HB HIS 61 -4.076 -12.767 -7.289 467 HB3 HIS 61 2HB HIS 61 -4.934 -12.993 -8.810 468 HD1 HIS 61 1HD HIS 61 -3.593 -11.511 -10.858 469 HD2 HIS 61 2HD HIS 61 -1.425 -13.037 -7.658 470 HE1 HIS 61 1HE HIS 61 -1.209 -11.620 -11.652 471 HE2 HIS 61 2HE HIS 61 0.070 -12.626 -9.729 472 H ASN 62 H ASN 62 -5.295 -10.911 -5.586 473 HA ASN 62 HA ASN 62 -7.872 -12.080 -5.463 474 HB2 ASN 62 1HB ASN 62 -6.034 -10.747 -3.535 475 HB3 ASN 62 2HB ASN 62 -7.730 -10.885 -3.080 476 HD21 ASN 62 1HD2 ASN 62 -5.071 -12.826 -4.389 477 HD22 ASN 62 2HD2 ASN 62 -5.472 -14.269 -3.526 478 H TYR 63 H TYR 63 -6.795 -8.721 -4.940 479 HA TYR 63 HA TYR 63 -9.477 -7.722 -4.838 480 HB2 TYR 63 1HB TYR 63 -6.905 -6.174 -5.200 481 HB3 TYR 63 2HB TYR 63 -8.456 -5.527 -4.677 482 HD1 TYR 63 2HD TYR 63 -9.401 -6.321 -2.457 483 HD2 TYR 63 1HD TYR 63 -5.381 -7.054 -3.643 484 HE1 TYR 63 2HE TYR 63 -8.793 -6.747 -0.112 485 HE2 TYR 63 1HE TYR 63 -4.762 -7.483 -1.301 486 HH TYR 63 HH TYR 63 -6.796 -8.205 1.035 487 H VAL 64 H VAL 64 -10.187 -5.928 -6.307 488 HA VAL 64 HA VAL 64 -9.165 -6.104 -9.032 489 HB VAL 64 HB VAL 64 -12.023 -6.758 -8.309 490 HG11 VAL 64 1HG1 VAL 64 -11.387 -7.002 -11.109 491 HG12 VAL 64 2HG1 VAL 64 -12.698 -6.116 -10.328 492 HG13 VAL 64 3HG1 VAL 64 -11.124 -5.351 -10.547 493 HG21 VAL 64 3HG2 VAL 64 -10.931 -8.767 -8.152 494 HG22 VAL 64 1HG2 VAL 64 -11.320 -8.756 -9.873 495 HG23 VAL 64 2HG2 VAL 64 -9.700 -8.316 -9.332 496 HA PRO 65 HA PRO 65 -10.003 -1.766 -8.692 497 HB2 PRO 65 1HB PRO 65 -9.446 -1.123 -11.271 498 HB3 PRO 65 2HB PRO 65 -8.192 -1.475 -10.076 499 HG2 PRO 65 1HG PRO 65 -9.352 -3.254 -12.186 500 HG3 PRO 65 2HG PRO 65 -7.658 -3.051 -11.701 501 HD2 PRO 65 1HD PRO 65 -9.170 -5.137 -10.869 502 HD3 PRO 65 2HD PRO 65 -7.885 -4.431 -9.869 503 H ALA 66 H ALA 66 -11.603 -0.298 -9.272 504 HA ALA 66 HA ALA 66 -13.546 -1.023 -11.308 505 HB1 ALA 66 3HB ALA 66 -15.338 -0.463 -9.418 506 HB2 ALA 66 1HB ALA 66 -14.768 -2.103 -9.732 507 HB3 ALA 66 2HB ALA 66 -14.083 -1.170 -8.400 508 H ASN 67 H ASN 67 -15.409 0.731 -11.200 509 HA ASN 67 HA ASN 67 -14.030 3.311 -11.219 510 HB2 ASN 67 1HB ASN 67 -15.073 3.095 -13.269 511 HB3 ASN 67 2HB ASN 67 -16.437 2.203 -12.600 512 HD21 ASN 67 1HD2 ASN 67 -14.991 5.371 -12.956 513 HD22 ASN 67 2HD2 ASN 67 -16.443 6.272 -12.702 514 H SER 68 H SER 68 -17.046 1.848 -10.038 515 HA SER 68 HA SER 68 -17.911 4.142 -8.616 516 HB2 SER 68 1HB SER 68 -19.262 2.050 -9.365 517 HB3 SER 68 2HB SER 68 -18.699 1.343 -7.850 518 HG SER 68 HG SER 68 -20.779 2.521 -7.822 519 H LEU 69 H LEU 69 -18.141 4.289 -6.261 520 HA LEU 69 HA LEU 69 -15.631 3.795 -4.969 521 HB2 LEU 69 1HB LEU 69 -18.210 4.849 -3.817 522 HB3 LEU 69 2HB LEU 69 -16.622 4.931 -3.057 523 HG LEU 69 HG LEU 69 -17.228 6.279 -5.678 524 HD11 LEU 69 1HD1 LEU 69 -18.599 6.930 -3.477 525 HD12 LEU 69 2HD1 LEU 69 -18.068 8.118 -4.666 526 HD13 LEU 69 3HD1 LEU 69 -17.135 7.871 -3.191 527 HD21 LEU 69 3HD2 LEU 69 -15.230 7.423 -5.360 528 HD22 LEU 69 1HD2 LEU 69 -14.849 5.790 -4.812 529 HD23 LEU 69 2HD2 LEU 69 -15.181 7.061 -3.634 530 H GLN 70 H GLN 70 -18.942 2.586 -4.572 531 HA GLN 70 HA GLN 70 -18.908 1.095 -2.364 532 HB2 GLN 70 1HB GLN 70 -19.813 0.073 -5.061 533 HB3 GLN 70 2HB GLN 70 -20.294 -0.597 -3.508 534 HG2 GLN 70 1HG GLN 70 -21.406 1.471 -2.925 535 HG3 GLN 70 2HG GLN 70 -20.863 2.211 -4.430 536 HE21 GLN 70 1HE2 GLN 70 -23.262 2.555 -4.521 537 HE22 GLN 70 2HE2 GLN 70 -24.203 1.330 -5.293 538 H GLN 71 H GLN 71 -17.432 0.017 -5.417 539 HA GLN 71 HA GLN 71 -16.414 -2.409 -4.393 540 HB2 GLN 71 1HB GLN 71 -16.721 -1.706 -6.841 541 HB3 GLN 71 2HB GLN 71 -15.181 -0.873 -6.670 542 HG2 GLN 71 1HG GLN 71 -14.648 -2.938 -7.612 543 HG3 GLN 71 2HG GLN 71 -14.234 -3.100 -5.907 544 HE21 GLN 71 1HE2 GLN 71 -14.760 -4.995 -5.119 545 HE22 GLN 71 2HE2 GLN 71 -16.140 -5.940 -5.553 546 H LYS 72 H LYS 72 -14.746 0.662 -5.105 547 HA LYS 72 HA LYS 72 -12.222 0.180 -4.324 548 HB2 LYS 72 1HB LYS 72 -13.821 2.603 -3.476 549 HB3 LYS 72 2HB LYS 72 -12.066 2.506 -3.545 550 HG2 LYS 72 1HG LYS 72 -13.616 1.913 -6.011 551 HG3 LYS 72 2HG LYS 72 -13.454 3.592 -5.490 552 HD2 LYS 72 1HD LYS 72 -11.589 3.426 -6.794 553 HD3 LYS 72 2HD LYS 72 -10.910 2.886 -5.256 554 HE2 LYS 72 1HE LYS 72 -10.893 0.658 -5.902 555 HE3 LYS 72 2HE LYS 72 -12.113 0.907 -7.151 556 HZ1 LYS 72 3HZ LYS 72 -10.465 1.078 -8.599 557 HZ2 LYS 72 1HZ LYS 72 -9.297 1.008 -7.377 558 HZ3 LYS 72 2HZ LYS 72 -9.954 2.497 -7.835 559 H LEU 73 H LEU 73 -14.707 1.261 -1.998 560 HA LEU 73 HA LEU 73 -13.203 0.918 0.311 561 HB2 LEU 73 1HB LEU 73 -16.123 0.936 -0.286 562 HB3 LEU 73 2HB LEU 73 -15.585 0.465 1.325 563 HG LEU 73 HG LEU 73 -14.837 3.085 0.041 564 HD11 LEU 73 1HD1 LEU 73 -16.982 3.656 0.278 565 HD12 LEU 73 2HD1 LEU 73 -16.647 3.670 2.009 566 HD13 LEU 73 3HD1 LEU 73 -17.350 2.237 1.258 567 HD21 LEU 73 3HD2 LEU 73 -14.299 3.739 2.314 568 HD22 LEU 73 1HD2 LEU 73 -13.402 2.286 1.871 569 HD23 LEU 73 2HD2 LEU 73 -14.819 2.163 2.914 570 H SER 74 H SER 74 -15.445 -1.372 -1.235 571 HA SER 74 HA SER 74 -15.393 -3.463 0.504 572 HB2 SER 74 1HB SER 74 -16.665 -3.443 -1.621 573 HB3 SER 74 2HB SER 74 -15.163 -3.713 -2.506 574 HG SER 74 HG SER 74 -16.313 -5.450 -0.575 575 H ASN 75 H ASN 75 -12.997 -2.892 -2.069 576 HA ASN 75 HA ASN 75 -11.336 -5.067 -1.440 577 HB2 ASN 75 1HB ASN 75 -10.648 -2.429 -2.755 578 HB3 ASN 75 2HB ASN 75 -9.601 -3.845 -2.735 579 HD21 ASN 75 1HD2 ASN 75 -11.150 -2.258 -4.844 580 HD22 ASN 75 2HD2 ASN 75 -11.924 -3.488 -5.780 581 H TRP 76 H TRP 76 -11.007 -1.625 -0.573 582 HA TRP 76 HA TRP 76 -8.714 -1.710 0.919 583 HB2 TRP 76 1HB TRP 76 -11.173 -0.038 1.014 584 HB3 TRP 76 2HB TRP 76 -10.073 0.068 2.386 585 HD1 TRP 76 HD TRP 76 -10.509 1.232 -1.157 586 HE1 TRP 76 1HE TRP 76 -8.513 2.708 -1.835 587 HE3 TRP 76 3HE TRP 76 -7.423 0.296 2.810 588 HZ2 TRP 76 2HZ TRP 76 -5.967 3.386 -0.823 589 HZ3 TRP 76 3HZ TRP 76 -5.224 1.398 2.878 590 HH2 TRP 76 HH TRP 76 -4.512 2.910 1.098 591 H GLY 77 H GLY 77 -12.018 -2.309 2.116 592 HA2 GLY 77 1HA GLY 77 -11.490 -2.773 4.776 593 HA3 GLY 77 2HA GLY 77 -12.754 -3.596 3.874 594 H HIS 78 H HIS 78 -11.499 -5.246 2.207 595 HA HIS 78 HA HIS 78 -10.722 -7.393 3.811 596 HB2 HIS 78 1HB HIS 78 -10.570 -6.810 0.883 597 HB3 HIS 78 2HB HIS 78 -9.722 -8.219 1.512 598 HD1 HIS 78 1HD HIS 78 -11.114 -10.244 2.126 599 HD2 HIS 78 2HD HIS 78 -13.412 -6.927 1.141 600 HE1 HIS 78 1HE HIS 78 -13.474 -11.092 1.941 601 HE2 HIS 78 2HE HIS 78 -14.833 -9.084 1.260 602 H LEU 79 H LEU 79 -8.837 -4.866 2.297 603 HA LEU 79 HA LEU 79 -6.294 -6.077 2.589 604 HB2 LEU 79 1HB LEU 79 -7.069 -4.002 1.205 605 HB3 LEU 79 2HB LEU 79 -6.676 -3.115 2.677 606 HG LEU 79 HG LEU 79 -4.383 -4.440 2.388 607 HD11 LEU 79 1HD1 LEU 79 -5.695 -4.500 -0.280 608 HD12 LEU 79 2HD1 LEU 79 -4.616 -5.671 0.478 609 HD13 LEU 79 3HD1 LEU 79 -3.962 -4.179 -0.197 610 HD21 LEU 79 3HD2 LEU 79 -4.068 -2.299 0.627 611 HD22 LEU 79 1HD2 LEU 79 -3.817 -2.292 2.373 612 HD23 LEU 79 2HD2 LEU 79 -5.381 -1.824 1.706 613 H ASN 80 H ASN 80 -8.404 -4.455 4.784 614 HA ASN 80 HA ASN 80 -6.431 -3.700 6.702 615 HB2 ASN 80 1HB ASN 80 -8.719 -2.679 6.514 616 HB3 ASN 80 2HB ASN 80 -9.380 -4.171 7.177 617 HD21 ASN 80 1HD2 ASN 80 -8.943 -1.212 8.049 618 HD22 ASN 80 2HD2 ASN 80 -8.421 -1.381 9.688 619 H ARG 81 H ARG 81 -8.269 -6.588 6.060 620 HA ARG 81 HA ARG 81 -7.169 -7.830 8.491 621 HB2 ARG 81 1HB ARG 81 -9.552 -8.602 6.800 622 HB3 ARG 81 2HB ARG 81 -8.932 -9.571 8.130 623 HG2 ARG 81 1HG ARG 81 -9.415 -7.779 9.693 624 HG3 ARG 81 2HG ARG 81 -9.975 -6.756 8.369 625 HD2 ARG 81 1HD ARG 81 -11.946 -7.615 9.256 626 HD3 ARG 81 2HD ARG 81 -11.628 -8.666 7.877 627 HE ARG 81 HE ARG 81 -10.438 -9.921 9.992 628 HH11 ARG 81 1HH1 ARG 81 -13.649 -8.776 9.286 629 HH12 ARG 81 2HH1 ARG 81 -14.433 -9.987 10.245 630 HH21 ARG 81 1HH2 ARG 81 -11.459 -11.521 11.258 631 HH22 ARG 81 2HH2 ARG 81 -13.186 -11.547 11.367 632 H LYS 82 H LYS 82 -6.428 -7.496 5.362 633 HA LYS 82 HA LYS 82 -5.436 -10.258 5.087 634 HB2 LYS 82 1HB LYS 82 -6.055 -8.212 2.949 635 HB3 LYS 82 2HB LYS 82 -5.319 -9.780 2.644 636 HG2 LYS 82 1HG LYS 82 -7.893 -9.731 4.116 637 HG3 LYS 82 2HG LYS 82 -7.918 -9.367 2.389 638 HD2 LYS 82 1HD LYS 82 -8.127 -11.624 2.249 639 HD3 LYS 82 2HD LYS 82 -6.366 -11.540 2.334 640 HE2 LYS 82 1HE LYS 82 -6.884 -11.606 4.942 641 HE3 LYS 82 2HE LYS 82 -8.336 -12.428 4.370 642 HZ1 LYS 82 3HZ LYS 82 -7.083 -14.138 3.431 643 HZ2 LYS 82 1HZ LYS 82 -6.323 -13.851 4.915 644 HZ3 LYS 82 2HZ LYS 82 -5.639 -13.257 3.487 645 H VAL 83 H VAL 83 -4.610 -6.877 5.094 646 HA VAL 83 HA VAL 83 -1.768 -7.613 4.821 647 HB VAL 83 HB VAL 83 -3.057 -5.024 3.946 648 HG11 VAL 83 1HG1 VAL 83 -0.785 -4.719 4.804 649 HG12 VAL 83 2HG1 VAL 83 -0.200 -5.961 3.694 650 HG13 VAL 83 3HG1 VAL 83 -0.860 -4.451 3.063 651 HG21 VAL 83 3HG2 VAL 83 -1.950 -7.335 2.357 652 HG22 VAL 83 1HG2 VAL 83 -3.625 -6.788 2.415 653 HG23 VAL 83 2HG2 VAL 83 -2.392 -5.771 1.671 654 H LEU 84 H LEU 84 -3.572 -4.711 5.835 655 HA LEU 84 HA LEU 84 -1.938 -3.594 7.618 656 HB2 LEU 84 1HB LEU 84 -4.873 -4.107 8.074 657 HB3 LEU 84 2HB LEU 84 -3.906 -2.937 8.970 658 HG LEU 84 HG LEU 84 -4.681 -2.841 6.060 659 HD11 LEU 84 1HD1 LEU 84 -5.163 -0.477 7.612 660 HD12 LEU 84 2HD1 LEU 84 -5.900 -1.877 8.392 661 HD13 LEU 84 3HD1 LEU 84 -6.305 -1.484 6.721 662 HD21 LEU 84 3HD2 LEU 84 -2.425 -1.615 7.471 663 HD22 LEU 84 1HD2 LEU 84 -3.436 -0.475 6.583 664 HD23 LEU 84 2HD2 LEU 84 -2.701 -1.840 5.743 665 H LYS 85 H LYS 85 -4.269 -6.085 8.673 666 HA LYS 85 HA LYS 85 -3.509 -6.480 11.236 667 HB2 LYS 85 1HB LYS 85 -5.269 -7.740 9.867 668 HB3 LYS 85 2HB LYS 85 -3.968 -8.831 9.408 669 HG2 LYS 85 1HG LYS 85 -3.725 -9.655 11.561 670 HG3 LYS 85 2HG LYS 85 -4.527 -8.262 12.290 671 HD2 LYS 85 1HD LYS 85 -6.622 -9.039 11.055 672 HD3 LYS 85 2HD LYS 85 -5.756 -10.553 10.779 673 HE2 LYS 85 1HE LYS 85 -5.434 -10.757 13.228 674 HE3 LYS 85 2HE LYS 85 -6.413 -9.307 13.447 675 HZ1 LYS 85 3HZ LYS 85 -7.343 -11.824 12.173 676 HZ2 LYS 85 1HZ LYS 85 -8.279 -10.439 12.439 677 HZ3 LYS 85 2HZ LYS 85 -7.704 -11.337 13.752 678 H ARG 86 H ARG 86 -2.031 -8.190 8.475 679 HA ARG 86 HA ARG 86 -0.096 -9.616 9.796 680 HB2 ARG 86 1HB ARG 86 0.043 -8.260 7.102 681 HB3 ARG 86 2HB ARG 86 1.261 -9.388 7.682 682 HG2 ARG 86 1HG ARG 86 -1.573 -10.268 7.704 683 HG3 ARG 86 2HG ARG 86 -0.741 -10.162 6.151 684 HD2 ARG 86 1HD ARG 86 1.137 -11.477 7.422 685 HD3 ARG 86 2HD ARG 86 -0.191 -11.931 8.489 686 HE ARG 86 HE ARG 86 -1.155 -12.474 6.016 687 HH11 ARG 86 1HH1 ARG 86 1.752 -13.359 7.716 688 HH12 ARG 86 2HH1 ARG 86 1.917 -14.882 6.906 689 HH21 ARG 86 1HH2 ARG 86 -0.947 -14.476 4.942 690 HH22 ARG 86 2HH2 ARG 86 0.382 -15.516 5.328 691 H LEU 87 H LEU 87 -0.096 -6.203 8.976 692 HA LEU 87 HA LEU 87 2.592 -5.890 10.092 693 HB2 LEU 87 1HB LEU 87 0.800 -4.010 8.570 694 HB3 LEU 87 2HB LEU 87 2.345 -3.532 9.270 695 HG LEU 87 HG LEU 87 2.298 -5.830 7.377 696 HD11 LEU 87 1HD1 LEU 87 2.602 -4.193 5.506 697 HD12 LEU 87 2HD1 LEU 87 2.014 -2.938 6.595 698 HD13 LEU 87 3HD1 LEU 87 0.965 -4.286 6.156 699 HD21 LEU 87 3HD2 LEU 87 4.327 -5.030 8.644 700 HD22 LEU 87 1HD2 LEU 87 4.252 -3.561 7.671 701 HD23 LEU 87 2HD2 LEU 87 4.505 -5.123 6.891 702 H ASN 88 H ASN 88 0.307 -6.518 11.780 703 HA ASN 88 HA ASN 88 -0.847 -5.764 13.620 704 HB2 ASN 88 1HB ASN 88 1.887 -4.534 14.032 705 HB3 ASN 88 2HB ASN 88 0.669 -4.705 15.293 706 HD21 ASN 88 1HD2 ASN 88 0.859 -6.420 16.525 707 HD22 ASN 88 2HD2 ASN 88 1.635 -7.904 16.098 708 H PHE 89 H PHE 89 -1.306 -4.113 11.350 709 HA PHE 89 HA PHE 89 -1.425 -1.419 12.518 710 HB2 PHE 89 1HB PHE 89 -0.415 -1.972 10.157 711 HB3 PHE 89 2HB PHE 89 -2.103 -1.990 9.658 712 HD1 PHE 89 2HD PHE 89 -3.431 0.039 9.681 713 HD2 PHE 89 1HD PHE 89 0.669 0.072 10.824 714 HE1 PHE 89 2HE PHE 89 -3.399 2.491 9.481 715 HE2 PHE 89 1HE PHE 89 0.707 2.524 10.627 716 HZ PHE 89 HZ PHE 89 -1.328 3.737 9.954 717 H SER 90 H SER 90 -3.338 -0.381 12.834 718 HA SER 90 HA SER 90 -5.799 -1.805 12.073 719 HB2 SER 90 1HB SER 90 -5.353 -0.429 14.732 720 HB3 SER 90 2HB SER 90 -6.791 -1.321 14.233 721 HG SER 90 HG SER 90 -4.921 -3.029 13.894 722 H VAL 91 H VAL 91 -7.467 -0.557 11.371 723 HA VAL 91 HA VAL 91 -7.288 2.348 11.639 724 HB VAL 91 HB VAL 91 -7.569 0.960 8.970 725 HG11 VAL 91 1HG1 VAL 91 -7.354 3.919 9.334 726 HG12 VAL 91 2HG1 VAL 91 -8.010 3.001 7.978 727 HG13 VAL 91 3HG1 VAL 91 -8.920 3.121 9.484 728 HG21 VAL 91 3HG2 VAL 91 -5.488 2.458 8.542 729 HG22 VAL 91 1HG2 VAL 91 -5.340 2.446 10.299 730 HG23 VAL 91 2HG2 VAL 91 -5.294 0.930 9.399 731 HA PRO 92 HA PRO 92 -11.608 1.674 12.392 732 HB2 PRO 92 1HB PRO 92 -12.303 4.291 12.595 733 HB3 PRO 92 2HB PRO 92 -11.454 3.420 13.878 734 HG2 PRO 92 1HG PRO 92 -10.354 5.268 11.795 735 HG3 PRO 92 2HG PRO 92 -9.965 5.170 13.522 736 HD2 PRO 92 1HD PRO 92 -8.386 4.084 11.610 737 HD3 PRO 92 2HD PRO 92 -8.547 3.377 13.230 738 H ASP 93 H ASP 93 -13.383 1.520 11.131 739 HA ASP 93 HA ASP 93 -13.377 1.701 8.429 740 HB2 ASP 93 1HB ASP 93 -15.830 2.378 10.056 741 HB3 ASP 93 2HB ASP 93 -15.768 1.619 8.467 742 H ASP 94 H ASP 94 -14.205 4.301 10.676 743 HA ASP 94 HA ASP 94 -15.173 6.221 8.978 744 HB2 ASP 94 1HB ASP 94 -13.170 6.915 11.117 745 HB3 ASP 94 2HB ASP 94 -14.580 7.833 10.594 746 H VAL 95 H VAL 95 -11.738 5.719 9.794 747 HA VAL 95 HA VAL 95 -10.662 7.656 8.113 748 HB VAL 95 HB VAL 95 -9.453 5.004 8.910 749 HG11 VAL 95 1HG1 VAL 95 -7.908 7.443 8.110 750 HG12 VAL 95 2HG1 VAL 95 -7.374 5.763 8.192 751 HG13 VAL 95 3HG1 VAL 95 -8.460 6.282 6.902 752 HG21 VAL 95 3HG2 VAL 95 -8.659 7.583 10.145 753 HG22 VAL 95 1HG2 VAL 95 -10.211 6.890 10.618 754 HG23 VAL 95 2HG2 VAL 95 -8.726 5.965 10.844 755 H MET 96 H MET 96 -11.423 4.258 7.446 756 HA MET 96 HA MET 96 -10.358 4.100 4.872 757 HB2 MET 96 1HB MET 96 -12.795 2.688 5.974 758 HB3 MET 96 2HB MET 96 -11.901 2.212 4.536 759 HG2 MET 96 1HG MET 96 -9.878 2.121 6.185 760 HG3 MET 96 2HG MET 96 -11.143 1.980 7.404 761 HE1 MET 96 3HE MET 96 -10.988 0.041 8.381 762 HE2 MET 96 1HE MET 96 -12.506 -0.610 7.762 763 HE3 MET 96 2HE MET 96 -11.042 -1.592 7.717 764 H ARG 97 H ARG 97 -13.612 5.045 5.935 765 HA ARG 97 HA ARG 97 -14.891 5.332 3.530 766 HB2 ARG 97 1HB ARG 97 -15.066 7.075 5.991 767 HB3 ARG 97 2HB ARG 97 -16.178 7.198 4.634 768 HG2 ARG 97 1HG ARG 97 -16.656 4.725 5.015 769 HG3 ARG 97 2HG ARG 97 -15.827 4.928 6.560 770 HD2 ARG 97 1HD ARG 97 -18.125 6.664 5.685 771 HD3 ARG 97 2HD ARG 97 -18.342 5.175 6.605 772 HE ARG 97 HE ARG 97 -16.499 7.048 7.789 773 HH11 ARG 97 1HH1 ARG 97 -19.817 6.024 7.548 774 HH12 ARG 97 2HH1 ARG 97 -20.276 6.711 9.071 775 HH21 ARG 97 1HH2 ARG 97 -17.090 7.956 9.796 776 HH22 ARG 97 2HH2 ARG 97 -18.724 7.810 10.349 777 H LYS 98 H LYS 98 -12.792 7.715 5.123 778 HA LYS 98 HA LYS 98 -13.049 9.747 3.207 779 HB2 LYS 98 1HB LYS 98 -10.781 9.091 5.092 780 HB3 LYS 98 2HB LYS 98 -10.855 10.560 4.128 781 HG2 LYS 98 1HG LYS 98 -12.720 11.367 5.307 782 HG3 LYS 98 2HG LYS 98 -13.039 9.793 6.039 783 HD2 LYS 98 1HD LYS 98 -11.178 9.968 7.472 784 HD3 LYS 98 2HD LYS 98 -10.489 11.304 6.547 785 HE2 LYS 98 1HE LYS 98 -13.073 11.433 8.098 786 HE3 LYS 98 2HE LYS 98 -11.516 12.010 8.691 787 HZ1 LYS 98 3HZ LYS 98 -12.056 13.096 6.135 788 HZ2 LYS 98 1HZ LYS 98 -11.791 13.901 7.599 789 HZ3 LYS 98 2HZ LYS 98 -13.353 13.411 7.175 790 H ILE 99 H ILE 99 -10.385 7.406 3.612 791 HA ILE 99 HA ILE 99 -8.807 7.981 1.497 792 HB ILE 99 HB ILE 99 -9.636 5.196 2.321 793 HG12 ILE 99 1HG1 ILE 99 -7.168 6.724 3.143 794 HG13 ILE 99 2HG1 ILE 99 -8.656 6.761 4.082 795 HG21 ILE 99 1HG2 ILE 99 -6.952 5.649 1.223 796 HG22 ILE 99 2HG2 ILE 99 -8.082 4.325 0.952 797 HG23 ILE 99 3HG2 ILE 99 -8.270 5.839 0.068 798 HD11 ILE 99 3HD1 ILE 99 -6.620 4.991 4.420 799 HD12 ILE 99 1HD1 ILE 99 -8.282 4.746 4.958 800 HD13 ILE 99 2HD1 ILE 99 -7.743 4.069 3.421 801 H ALA 100 H ALA 100 -11.561 5.719 1.285 802 HA ALA 100 HA ALA 100 -11.483 5.288 -1.456 803 HB1 ALA 100 3HB ALA 100 -13.986 4.833 -1.177 804 HB2 ALA 100 1HB ALA 100 -12.864 3.864 -0.221 805 HB3 ALA 100 2HB ALA 100 -13.732 5.204 0.528 806 H GLN 101 H GLN 101 -12.675 8.017 0.341 807 HA GLN 101 HA GLN 101 -14.089 9.135 -1.927 808 HB2 GLN 101 1HB GLN 101 -13.656 9.952 0.919 809 HB3 GLN 101 2HB GLN 101 -14.179 11.156 -0.252 810 HG2 GLN 101 1HG GLN 101 -15.666 8.591 -0.124 811 HG3 GLN 101 2HG GLN 101 -15.896 9.758 1.178 812 HE21 GLN 101 1HE2 GLN 101 -16.159 9.243 -2.278 813 HE22 GLN 101 2HE2 GLN 101 -17.313 10.494 -2.569 814 H CYS 102 H CYS 102 -11.256 8.628 -2.238 815 HA CYS 102 HA CYS 102 -9.255 9.682 -2.714 816 HB2 CYS 102 1HB CYS 102 -9.509 11.212 -4.611 817 HB3 CYS 102 2HB CYS 102 -10.569 9.819 -4.782 818 HG CYS 102 HG CYS 102 -11.762 12.727 -3.471 819 H ALA 103 H ALA 103 -9.835 10.517 -0.244 820 HA ALA 103 HA ALA 103 -9.846 13.426 -0.169 821 HB1 ALA 103 3HB ALA 103 -11.134 11.961 1.452 822 HB2 ALA 103 1HB ALA 103 -9.577 11.583 2.189 823 HB3 ALA 103 2HB ALA 103 -10.157 13.248 2.159 824 HA PRO 104 HA PRO 104 -5.387 13.483 -0.252 825 HB2 PRO 104 1HB PRO 104 -5.148 16.178 -0.036 826 HB3 PRO 104 2HB PRO 104 -5.588 15.371 -1.546 827 HG2 PRO 104 1HG PRO 104 -7.349 16.720 0.464 828 HG3 PRO 104 2HG PRO 104 -7.405 16.801 -1.307 829 HD2 PRO 104 1HD PRO 104 -9.075 15.229 0.133 830 HD3 PRO 104 2HD PRO 104 -8.508 14.785 -1.490 831 H GLY 105 H GLY 105 -3.863 13.424 1.315 832 HA2 GLY 105 1HA GLY 105 -2.811 13.993 3.328 833 HA3 GLY 105 2HA GLY 105 -4.241 14.902 3.794 834 H VAL 106 H VAL 106 -6.074 12.704 3.245 835 HA VAL 106 HA VAL 106 -6.091 11.495 5.785 836 HB VAL 106 HB VAL 106 -7.533 10.596 3.286 837 HG11 VAL 106 1HG1 VAL 106 -8.602 9.048 4.498 838 HG12 VAL 106 2HG1 VAL 106 -7.283 9.239 5.655 839 HG13 VAL 106 3HG1 VAL 106 -8.790 10.128 5.879 840 HG21 VAL 106 3HG2 VAL 106 -8.415 12.676 3.530 841 HG22 VAL 106 1HG2 VAL 106 -9.419 11.833 4.709 842 HG23 VAL 106 2HG2 VAL 106 -8.021 12.764 5.246 843 H VAL 107 H VAL 107 -5.689 9.872 2.631 844 HA VAL 107 HA VAL 107 -4.825 7.423 3.636 845 HB VAL 107 HB VAL 107 -5.533 7.726 1.309 846 HG11 VAL 107 1HG1 VAL 107 -4.579 9.137 -0.152 847 HG12 VAL 107 2HG1 VAL 107 -3.902 9.905 1.285 848 HG13 VAL 107 3HG1 VAL 107 -2.945 8.736 0.374 849 HG21 VAL 107 3HG2 VAL 107 -3.839 5.920 2.161 850 HG22 VAL 107 1HG2 VAL 107 -4.181 6.080 0.438 851 HG23 VAL 107 2HG2 VAL 107 -2.709 6.779 1.114 852 H GLU 108 H GLU 108 -3.051 10.375 3.010 853 HA GLU 108 HA GLU 108 -0.443 9.403 3.006 854 HB2 GLU 108 1HB GLU 108 -1.711 12.013 3.679 855 HB3 GLU 108 2HB GLU 108 -0.038 11.769 4.162 856 HG2 GLU 108 1HG GLU 108 -0.102 12.863 2.030 857 HG3 GLU 108 2HG GLU 108 0.531 11.231 1.828 858 H LEU 109 H LEU 109 -2.463 10.427 5.741 859 HA LEU 109 HA LEU 109 -0.663 10.210 7.806 860 HB2 LEU 109 1HB LEU 109 -3.559 9.375 7.830 861 HB3 LEU 109 2HB LEU 109 -2.579 9.711 9.255 862 HG LEU 109 HG LEU 109 -3.025 11.819 7.170 863 HD11 LEU 109 1HD1 LEU 109 -4.869 12.574 8.830 864 HD12 LEU 109 2HD1 LEU 109 -4.923 10.868 9.273 865 HD13 LEU 109 3HD1 LEU 109 -5.244 11.357 7.610 866 HD21 LEU 109 3HD2 LEU 109 -2.960 12.581 9.965 867 HD22 LEU 109 1HD2 LEU 109 -1.974 13.146 8.616 868 HD23 LEU 109 2HD2 LEU 109 -1.516 11.685 9.490 869 H VAL 110 H VAL 110 -2.178 7.668 5.973 870 HA VAL 110 HA VAL 110 -1.189 5.614 7.802 871 HB VAL 110 HB VAL 110 -2.872 5.385 5.304 872 HG11 VAL 110 1HG1 VAL 110 -1.428 3.415 5.660 873 HG12 VAL 110 2HG1 VAL 110 -2.117 3.229 7.274 874 HG13 VAL 110 3HG1 VAL 110 -3.142 3.046 5.850 875 HG21 VAL 110 3HG2 VAL 110 -4.474 4.495 7.205 876 HG22 VAL 110 1HG2 VAL 110 -3.467 5.533 8.214 877 HG23 VAL 110 2HG2 VAL 110 -4.344 6.216 6.845 878 H LEU 111 H LEU 111 -0.446 7.099 4.769 879 HA LEU 111 HA LEU 111 1.163 5.022 3.691 880 HB2 LEU 111 1HB LEU 111 0.994 7.975 3.164 881 HB3 LEU 111 2HB LEU 111 2.123 6.927 2.308 882 HG LEU 111 HG LEU 111 -0.883 6.664 2.263 883 HD11 LEU 111 1HD1 LEU 111 0.975 8.278 0.718 884 HD12 LEU 111 2HD1 LEU 111 -0.784 8.346 0.805 885 HD13 LEU 111 3HD1 LEU 111 0.000 7.205 -0.286 886 HD21 LEU 111 3HD2 LEU 111 1.341 4.994 1.271 887 HD22 LEU 111 1HD2 LEU 111 -0.001 5.255 0.157 888 HD23 LEU 111 2HD2 LEU 111 -0.298 4.544 1.743 889 H ILE 112 H ILE 112 1.851 7.868 5.671 890 HA ILE 112 HA ILE 112 4.613 7.854 5.629 891 HB ILE 112 HB ILE 112 2.588 8.749 7.607 892 HG12 ILE 112 1HG1 ILE 112 5.016 10.152 6.483 893 HG13 ILE 112 2HG1 ILE 112 3.463 10.102 5.656 894 HG21 ILE 112 1HG2 ILE 112 5.393 8.053 8.288 895 HG22 ILE 112 2HG2 ILE 112 4.715 9.531 8.970 896 HG23 ILE 112 3HG2 ILE 112 3.936 7.979 9.278 897 HD11 ILE 112 3HD1 ILE 112 3.770 12.185 6.871 898 HD12 ILE 112 1HD1 ILE 112 2.421 11.257 7.524 899 HD13 ILE 112 2HD1 ILE 112 3.966 11.286 8.375 900 HA PRO 113 HA PRO 113 4.632 4.793 9.371 901 HB2 PRO 113 1HB PRO 113 2.290 3.561 9.978 902 HB3 PRO 113 2HB PRO 113 2.776 5.105 10.689 903 HG2 PRO 113 1HG PRO 113 0.908 4.572 8.411 904 HG3 PRO 113 2HG PRO 113 0.733 5.712 9.759 905 HD2 PRO 113 1HD PRO 113 1.533 6.486 7.291 906 HD3 PRO 113 2HD PRO 113 2.101 7.283 8.772 907 H LEU 114 H LEU 114 2.649 4.173 6.565 908 HA LEU 114 HA LEU 114 2.677 1.401 6.470 909 HB2 LEU 114 1HB LEU 114 1.409 2.881 4.949 910 HB3 LEU 114 2HB LEU 114 2.917 3.293 4.135 911 HG LEU 114 HG LEU 114 3.087 0.742 3.694 912 HD11 LEU 114 1HD1 LEU 114 0.434 1.000 4.885 913 HD12 LEU 114 2HD1 LEU 114 1.443 -0.427 4.655 914 HD13 LEU 114 3HD1 LEU 114 0.440 0.166 3.331 915 HD21 LEU 114 3HD2 LEU 114 2.489 2.751 2.129 916 HD22 LEU 114 1HD2 LEU 114 0.875 2.041 2.171 917 HD23 LEU 114 2HD2 LEU 114 2.241 1.091 1.585 918 H ARG 115 H ARG 115 4.819 3.424 4.467 919 HA ARG 115 HA ARG 115 6.610 1.512 3.698 920 HB2 ARG 115 1HB ARG 115 8.257 3.317 3.419 921 HB3 ARG 115 2HB ARG 115 6.667 3.790 2.836 922 HG2 ARG 115 1HG ARG 115 6.434 4.780 5.260 923 HG3 ARG 115 2HG ARG 115 8.197 4.771 5.186 924 HD2 ARG 115 1HD ARG 115 7.827 5.910 2.872 925 HD3 ARG 115 2HD ARG 115 6.234 6.292 3.523 926 HE ARG 115 HE ARG 115 7.205 7.824 4.929 927 HH11 ARG 115 1HH1 ARG 115 9.670 5.804 3.528 928 HH12 ARG 115 2HH1 ARG 115 10.981 6.769 4.120 929 HH21 ARG 115 1HH2 ARG 115 8.923 9.103 5.715 930 HH22 ARG 115 2HH2 ARG 115 10.555 8.645 5.365 931 H GLN 116 H GLN 116 6.801 3.496 6.643 932 HA GLN 116 HA GLN 116 9.177 2.712 7.702 933 HB2 GLN 116 1HB GLN 116 6.551 3.102 9.141 934 HB3 GLN 116 2HB GLN 116 8.102 2.961 9.958 935 HG2 GLN 116 1HG GLN 116 7.511 5.060 7.892 936 HG3 GLN 116 2HG GLN 116 7.255 5.295 9.620 937 HE21 GLN 116 1HE2 GLN 116 8.819 7.085 8.881 938 HE22 GLN 116 2HE2 GLN 116 10.497 6.742 9.108 939 H ARG 117 H ARG 117 6.093 0.985 8.160 940 HA ARG 117 HA ARG 117 7.191 -1.177 9.592 941 HB2 ARG 117 1HB ARG 117 4.711 -1.207 7.866 942 HB3 ARG 117 2HB ARG 117 5.087 -2.303 9.188 943 HG2 ARG 117 1HG ARG 117 4.914 0.628 9.710 944 HG3 ARG 117 2HG ARG 117 3.439 -0.327 9.551 945 HD2 ARG 117 1HD ARG 117 3.808 -0.467 11.813 946 HD3 ARG 117 2HD ARG 117 4.642 -1.913 11.247 947 HE ARG 117 HE ARG 117 6.615 -0.106 11.237 948 HH11 ARG 117 1HH1 ARG 117 4.222 -0.904 13.636 949 HH12 ARG 117 2HH1 ARG 117 5.235 -0.482 14.977 950 HH21 ARG 117 1HH2 ARG 117 7.959 0.453 12.994 951 HH22 ARG 117 2HH2 ARG 117 7.361 0.291 14.610 952 H LEU 118 H LEU 118 6.470 -0.756 6.144 953 HA LEU 118 HA LEU 118 7.010 -3.272 5.189 954 HB2 LEU 118 1HB LEU 118 7.616 -0.582 3.986 955 HB3 LEU 118 2HB LEU 118 7.819 -2.095 3.106 956 HG LEU 118 HG LEU 118 5.190 -1.191 4.267 957 HD11 LEU 118 1HD1 LEU 118 6.574 -0.403 1.797 958 HD12 LEU 118 2HD1 LEU 118 5.287 0.407 2.690 959 HD13 LEU 118 3HD1 LEU 118 4.900 -0.920 1.595 960 HD21 LEU 118 3HD2 LEU 118 4.521 -2.807 2.290 961 HD22 LEU 118 1HD2 LEU 118 4.916 -3.426 3.893 962 HD23 LEU 118 2HD2 LEU 118 6.123 -3.475 2.608 963 H GLU 119 H GLU 119 9.380 -0.624 5.518 964 HA GLU 119 HA GLU 119 11.611 -2.248 4.866 965 HB2 GLU 119 1HB GLU 119 12.939 -0.340 5.827 966 HB3 GLU 119 2HB GLU 119 11.814 0.106 4.552 967 HG2 GLU 119 1HG GLU 119 10.326 1.106 6.058 968 HG3 GLU 119 2HG GLU 119 11.090 0.340 7.450 969 H GLU 120 H GLU 120 10.159 -1.229 7.923 970 HA GLU 120 HA GLU 120 12.035 -2.030 9.744 971 HB2 GLU 120 1HB GLU 120 9.782 -0.978 10.208 972 HB3 GLU 120 2HB GLU 120 9.087 -2.587 10.069 973 HG2 GLU 120 1HG GLU 120 9.361 -2.376 12.338 974 HG3 GLU 120 2HG GLU 120 10.833 -3.227 11.871 975 H ARG 121 H ARG 121 9.534 -4.086 8.268 976 HA ARG 121 HA ARG 121 10.423 -6.468 9.545 977 HB2 ARG 121 1HB ARG 121 8.585 -5.905 7.231 978 HB3 ARG 121 2HB ARG 121 9.002 -7.551 7.685 979 HG2 ARG 121 1HG ARG 121 8.224 -6.837 10.048 980 HG3 ARG 121 2HG ARG 121 7.415 -5.522 9.194 981 HD2 ARG 121 1HD ARG 121 5.807 -7.225 9.352 982 HD3 ARG 121 2HD ARG 121 6.414 -7.320 7.700 983 HE ARG 121 HE ARG 121 7.356 -9.370 8.183 984 HH11 ARG 121 1HH1 ARG 121 6.201 -7.862 11.101 985 HH12 ARG 121 2HH1 ARG 121 6.382 -9.290 12.065 986 HH21 ARG 121 1HH2 ARG 121 7.598 -11.256 9.442 987 HH22 ARG 121 2HH2 ARG 121 7.177 -11.220 11.121 988 H GLN 122 H GLN 122 10.871 -5.133 6.285 989 HA GLN 122 HA GLN 122 12.141 -7.080 4.939 990 HB2 GLN 122 1HB GLN 122 11.805 -4.794 4.078 991 HB3 GLN 122 2HB GLN 122 13.120 -4.224 5.097 992 HG2 GLN 122 1HG GLN 122 13.617 -6.420 3.144 993 HG3 GLN 122 2HG GLN 122 13.534 -4.750 2.586 994 HE21 GLN 122 1HE2 GLN 122 14.797 -3.263 4.269 995 HE22 GLN 122 2HE2 GLN 122 16.419 -3.782 4.555 996 H ARG 123 H ARG 123 14.103 -4.721 6.756 997 HA ARG 123 HA ARG 123 16.461 -6.169 6.740 998 HB2 ARG 123 1HB ARG 123 17.278 -4.654 8.320 999 HB3 ARG 123 2HB ARG 123 16.015 -3.747 7.499 1000 HG2 ARG 123 1HG ARG 123 14.540 -4.716 9.468 1001 HG3 ARG 123 2HG ARG 123 16.109 -4.789 10.272 1002 HD2 ARG 123 1HD ARG 123 15.257 -2.297 8.855 1003 HD3 ARG 123 2HD ARG 123 14.652 -2.645 10.474 1004 HE ARG 123 HE ARG 123 17.508 -2.848 10.248 1005 HH11 ARG 123 1HH1 ARG 123 14.829 -0.690 10.787 1006 HH12 ARG 123 2HH1 ARG 123 15.775 0.479 11.646 1007 HH21 ARG 123 1HH2 ARG 123 18.764 -1.315 11.378 1008 HH22 ARG 123 2HH2 ARG 123 18.013 0.123 11.981 1009 H ARG 124 H ARG 124 17.545 -6.919 8.896 1010 HA ARG 124 HA ARG 124 15.770 -8.334 10.689 1011 HB2 ARG 124 1HB ARG 124 17.563 -9.778 8.741 1012 HB3 ARG 124 2HB ARG 124 16.980 -10.525 10.223 1013 HG2 ARG 124 1HG ARG 124 14.643 -9.726 9.267 1014 HG3 ARG 124 2HG ARG 124 15.520 -9.837 7.739 1015 HD2 ARG 124 1HD ARG 124 16.038 -12.138 8.127 1016 HD3 ARG 124 2HD ARG 124 15.413 -12.055 9.773 1017 HE ARG 124 HE ARG 124 13.266 -12.232 8.949 1018 HH11 ARG 124 1HH1 ARG 124 15.520 -11.762 6.338 1019 HH12 ARG 124 2HH1 ARG 124 14.368 -12.141 5.101 1020 HH21 ARG 124 1HH2 ARG 124 11.740 -12.734 7.329 1021 HH22 ARG 124 2HH2 ARG 124 12.218 -12.693 5.666 1022 H ARG 125 H ARG 125 17.138 -9.688 12.276 1023 HA ARG 125 HA ARG 125 18.962 -7.970 13.545 1024 HB2 ARG 125 1HB ARG 125 18.386 -10.909 13.912 1025 HB3 ARG 125 2HB ARG 125 19.498 -10.018 14.941 1026 HG2 ARG 125 1HG ARG 125 16.760 -8.931 14.582 1027 HG3 ARG 125 2HG ARG 125 16.967 -10.364 15.592 1028 HD2 ARG 125 1HD ARG 125 18.804 -9.056 16.779 1029 HD3 ARG 125 2HD ARG 125 18.175 -7.635 15.946 1030 HE ARG 125 HE ARG 125 15.979 -8.688 17.125 1031 HH11 ARG 125 1HH1 ARG 125 19.137 -7.807 18.294 1032 HH12 ARG 125 2HH1 ARG 125 18.580 -7.409 19.886 1033 HH21 ARG 125 1HH2 ARG 125 15.233 -8.167 19.216 1034 HH22 ARG 125 2HH2 ARG 125 16.359 -7.614 20.409 1035 H LYS 126 H LYS 126 21.228 -8.473 14.085 1036 HA LYS 126 HA LYS 126 22.632 -9.947 11.967 1037 HB2 LYS 126 1HB LYS 126 23.071 -7.108 12.838 1038 HB3 LYS 126 2HB LYS 126 24.400 -8.051 12.178 1039 HG2 LYS 126 1HG LYS 126 21.785 -7.606 10.757 1040 HG3 LYS 126 2HG LYS 126 23.228 -6.616 10.520 1041 HD2 LYS 126 1HD LYS 126 24.459 -8.679 9.870 1042 HD3 LYS 126 2HD LYS 126 22.938 -9.569 9.971 1043 HE2 LYS 126 1HE LYS 126 22.051 -8.521 8.116 1044 HE3 LYS 126 2HE LYS 126 23.098 -7.113 8.281 1045 HZ1 LYS 126 3HZ LYS 126 24.242 -9.751 7.635 1046 HZ2 LYS 126 1HZ LYS 126 24.869 -8.212 7.320 1047 HZ3 LYS 126 2HZ LYS 126 23.564 -8.794 6.416 1048 H GLN 127 H GLN 127 25.102 -10.003 12.607 1049 HA GLN 127 HA GLN 127 25.552 -11.719 14.603 1050 HB2 GLN 127 1HB GLN 127 27.223 -10.585 12.970 1051 HB3 GLN 127 2HB GLN 127 27.494 -9.451 14.287 1052 HG2 GLN 127 1HG GLN 127 28.438 -11.061 15.654 1053 HG3 GLN 127 2HG GLN 127 27.705 -12.392 14.760 1054 HE21 GLN 127 1HE2 GLN 127 30.300 -12.597 15.332 1055 HE22 GLN 127 2HE2 GLN 127 31.272 -12.355 13.924 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -27.747 14.411 24.937 2 HA2 GLY 1 1HA GLY 1 -27.755 12.875 22.426 3 HA3 GLY 1 2HA GLY 1 -27.792 14.631 22.368 4 H SER 2 H SER 2 -25.796 13.978 21.038 5 HA SER 2 HA SER 2 -23.473 14.244 22.804 6 HB2 SER 2 1HB SER 2 -23.392 11.921 22.310 7 HB3 SER 2 2HB SER 2 -23.815 12.190 20.619 8 HG SER 2 HG SER 2 -21.664 11.924 20.565 9 H SER 3 H SER 3 -21.612 15.184 21.784 10 HA SER 3 HA SER 3 -22.239 16.633 19.296 11 HB2 SER 3 1HB SER 3 -21.010 18.566 20.165 12 HB3 SER 3 2HB SER 3 -22.336 18.143 21.248 13 HG SER 3 HG SER 3 -20.494 16.802 22.271 14 H GLY 4 H GLY 4 -20.363 17.285 18.028 15 HA2 GLY 4 1HA GLY 4 -18.199 15.302 18.283 16 HA3 GLY 4 2HA GLY 4 -18.695 16.070 16.782 17 H SER 5 H SER 5 -16.771 16.954 16.183 18 HA SER 5 HA SER 5 -15.383 18.685 18.097 19 HB2 SER 5 1HB SER 5 -14.283 16.839 16.547 20 HB3 SER 5 2HB SER 5 -14.309 18.143 15.360 21 HG SER 5 HG SER 5 -13.398 19.222 17.550 22 H SER 6 H SER 6 -16.200 20.683 18.118 23 HA SER 6 HA SER 6 -17.443 21.904 15.864 24 HB2 SER 6 1HB SER 6 -17.758 22.348 18.437 25 HB3 SER 6 2HB SER 6 -16.449 23.505 18.194 26 HG SER 6 HG SER 6 -18.542 23.569 16.364 27 H GLY 7 H GLY 7 -14.305 22.317 17.470 28 HA2 GLY 7 1HA GLY 7 -13.450 24.362 15.633 29 HA3 GLY 7 2HA GLY 7 -12.463 23.578 16.858 30 H MET 8 H MET 8 -10.955 23.845 14.906 31 HA MET 8 HA MET 8 -11.026 21.324 13.397 32 HB2 MET 8 1HB MET 8 -10.137 22.489 11.421 33 HB3 MET 8 2HB MET 8 -11.725 23.094 11.875 34 HG2 MET 8 1HG MET 8 -9.196 24.449 12.748 35 HG3 MET 8 2HG MET 8 -9.967 24.797 11.201 36 HE1 MET 8 3HE MET 8 -11.840 26.591 10.943 37 HE2 MET 8 1HE MET 8 -11.839 27.782 12.244 38 HE3 MET 8 2HE MET 8 -10.313 27.227 11.556 39 H ALA 9 H ALA 9 -8.766 21.046 12.268 40 HA ALA 9 HA ALA 9 -6.639 21.893 14.112 41 HB1 ALA 9 3HB ALA 9 -7.290 19.095 13.246 42 HB2 ALA 9 1HB ALA 9 -5.674 19.547 13.790 43 HB3 ALA 9 2HB ALA 9 -7.052 19.722 14.877 44 H SER 10 H SER 10 -4.423 21.278 13.149 45 HA SER 10 HA SER 10 -4.375 21.363 10.236 46 HB2 SER 10 1HB SER 10 -4.447 23.732 10.931 47 HB3 SER 10 2HB SER 10 -3.018 23.475 11.931 48 HG SER 10 HG SER 10 -2.234 22.616 9.679 49 H SER 11 H SER 11 -2.905 19.971 9.544 50 HA SER 11 HA SER 11 -0.267 19.819 10.563 51 HB2 SER 11 1HB SER 11 -2.272 17.852 11.572 52 HB3 SER 11 2HB SER 11 -0.650 17.269 11.201 53 HG SER 11 HG SER 11 -0.202 17.998 13.120 54 H VAL 12 H VAL 12 1.062 18.323 9.388 55 HA VAL 12 HA VAL 12 1.735 17.157 7.548 56 HB VAL 12 HB VAL 12 -1.179 16.538 7.059 57 HG11 VAL 12 1HG1 VAL 12 1.074 16.014 5.528 58 HG12 VAL 12 2HG1 VAL 12 0.766 14.502 6.384 59 HG13 VAL 12 3HG1 VAL 12 -0.499 15.228 5.392 60 HG21 VAL 12 3HG2 VAL 12 -0.097 15.968 9.382 61 HG22 VAL 12 1HG2 VAL 12 -1.105 14.788 8.543 62 HG23 VAL 12 2HG2 VAL 12 0.652 14.657 8.472 63 H ASP 13 H ASP 13 1.203 19.947 7.388 64 HA ASP 13 HA ASP 13 -0.271 20.760 5.173 65 HB2 ASP 13 1HB ASP 13 2.337 22.039 5.977 66 HB3 ASP 13 2HB ASP 13 0.915 22.809 5.280 67 H GLU 14 H GLU 14 0.718 21.706 3.133 68 HA GLU 14 HA GLU 14 1.524 19.879 1.367 69 HB2 GLU 14 1HB GLU 14 2.786 22.621 1.393 70 HB3 GLU 14 2HB GLU 14 2.458 21.608 -0.006 71 HG2 GLU 14 1HG GLU 14 0.708 23.033 -0.176 72 HG3 GLU 14 2HG GLU 14 -0.024 21.820 0.872 73 H GLU 15 H GLU 15 3.815 21.763 3.337 74 HA GLU 15 HA GLU 15 6.195 20.743 2.433 75 HB2 GLU 15 1HB GLU 15 6.264 22.501 4.020 76 HB3 GLU 15 2HB GLU 15 5.347 21.575 5.200 77 HG2 GLU 15 1HG GLU 15 7.158 20.342 5.852 78 HG3 GLU 15 2HG GLU 15 7.981 20.528 4.305 79 H ALA 16 H ALA 16 4.186 19.400 5.048 80 HA ALA 16 HA ALA 16 5.788 17.176 5.613 81 HB1 ALA 16 3HB ALA 16 2.961 16.628 5.943 82 HB2 ALA 16 1HB ALA 16 4.235 16.767 7.155 83 HB3 ALA 16 2HB ALA 16 3.409 18.213 6.574 84 H LEU 17 H LEU 17 3.001 17.491 3.425 85 HA LEU 17 HA LEU 17 2.838 14.856 2.569 86 HB2 LEU 17 1HB LEU 17 2.335 17.338 0.934 87 HB3 LEU 17 2HB LEU 17 1.728 15.721 0.581 88 HG LEU 17 HG LEU 17 0.988 17.273 3.056 89 HD11 LEU 17 1HD1 LEU 17 -0.270 18.565 1.760 90 HD12 LEU 17 2HD1 LEU 17 -1.222 17.130 1.380 91 HD13 LEU 17 3HD1 LEU 17 0.108 17.610 0.326 92 HD21 LEU 17 3HD2 LEU 17 0.404 15.147 3.588 93 HD22 LEU 17 1HD2 LEU 17 0.280 14.639 1.903 94 HD23 LEU 17 2HD2 LEU 17 -1.023 15.571 2.641 95 H HIS 18 H HIS 18 4.553 17.537 0.956 96 HA HIS 18 HA HIS 18 5.687 16.403 -1.174 97 HB2 HIS 18 1HB HIS 18 6.208 18.687 -0.446 98 HB3 HIS 18 2HB HIS 18 7.209 18.052 0.856 99 HD1 HIS 18 1HD HIS 18 9.522 18.669 0.204 100 HD2 HIS 18 2HD HIS 18 7.381 17.066 -2.975 101 HE1 HIS 18 1HE HIS 18 11.173 18.461 -1.681 102 HE2 HIS 18 2HE HIS 18 9.835 17.569 -3.620 103 H GLN 19 H GLN 19 7.184 16.143 2.056 104 HA GLN 19 HA GLN 19 9.315 14.587 1.643 105 HB2 GLN 19 1HB GLN 19 7.224 14.377 3.793 106 HB3 GLN 19 2HB GLN 19 8.637 13.330 3.797 107 HG2 GLN 19 1HG GLN 19 8.718 16.338 3.805 108 HG3 GLN 19 2HG GLN 19 8.899 15.312 5.226 109 HE21 GLN 19 1HE2 GLN 19 10.788 17.203 4.245 110 HE22 GLN 19 2HE2 GLN 19 12.220 16.333 3.825 111 H LEU 20 H LEU 20 6.005 13.296 1.865 112 HA LEU 20 HA LEU 20 6.710 10.614 1.349 113 HB2 LEU 20 1HB LEU 20 4.621 10.951 2.337 114 HB3 LEU 20 2HB LEU 20 4.159 12.173 1.154 115 HG LEU 20 HG LEU 20 4.291 10.110 -0.498 116 HD11 LEU 20 1HD1 LEU 20 4.202 8.055 0.384 117 HD12 LEU 20 2HD1 LEU 20 3.152 8.559 1.708 118 HD13 LEU 20 3HD1 LEU 20 4.894 8.812 1.819 119 HD21 LEU 20 3HD2 LEU 20 2.135 11.130 1.262 120 HD22 LEU 20 1HD2 LEU 20 1.818 9.646 0.364 121 HD23 LEU 20 2HD2 LEU 20 2.256 11.121 -0.498 122 H TYR 21 H TYR 21 5.336 13.106 -0.796 123 HA TYR 21 HA TYR 21 5.137 11.749 -3.143 124 HB2 TYR 21 1HB TYR 21 5.916 14.577 -2.535 125 HB3 TYR 21 2HB TYR 21 5.944 14.009 -4.200 126 HD1 TYR 21 1HD TYR 21 3.657 13.920 -1.240 127 HD2 TYR 21 2HD TYR 21 4.043 14.350 -5.455 128 HE1 TYR 21 1HE TYR 21 1.238 14.329 -1.414 129 HE2 TYR 21 2HE TYR 21 1.626 14.761 -5.641 130 HH TYR 21 HH TYR 21 -0.438 14.918 -2.761 131 H LEU 22 H LEU 22 8.087 13.040 -1.700 132 HA LEU 22 HA LEU 22 9.810 12.530 -3.867 133 HB2 LEU 22 1HB LEU 22 10.345 12.700 -0.908 134 HB3 LEU 22 2HB LEU 22 11.610 12.590 -2.131 135 HG LEU 22 HG LEU 22 9.601 14.819 -2.166 136 HD11 LEU 22 1HD1 LEU 22 12.216 14.775 -0.667 137 HD12 LEU 22 2HD1 LEU 22 10.609 14.817 0.056 138 HD13 LEU 22 3HD1 LEU 22 11.179 16.182 -0.904 139 HD21 LEU 22 3HD2 LEU 22 12.436 15.053 -3.017 140 HD22 LEU 22 1HD2 LEU 22 10.988 15.815 -3.674 141 HD23 LEU 22 2HD2 LEU 22 11.338 14.125 -4.039 142 H TRP 23 H TRP 23 9.132 10.620 -0.941 143 HA TRP 23 HA TRP 23 10.808 8.469 -1.470 144 HB2 TRP 23 1HB TRP 23 9.851 8.537 0.677 145 HB3 TRP 23 2HB TRP 23 8.217 8.701 0.040 146 HD1 TRP 23 HD TRP 23 10.988 5.984 -0.294 147 HE1 TRP 23 1HE TRP 23 9.871 3.686 0.025 148 HE3 TRP 23 3HE TRP 23 6.168 7.520 0.447 149 HZ2 TRP 23 2HZ TRP 23 7.289 2.661 0.523 150 HZ3 TRP 23 3HZ TRP 23 4.435 5.818 0.838 151 HH2 TRP 23 HH TRP 23 4.986 3.439 0.874 152 H VAL 24 H VAL 24 7.289 8.563 -2.070 153 HA VAL 24 HA VAL 24 6.950 6.235 -3.430 154 HB VAL 24 HB VAL 24 5.673 8.884 -4.123 155 HG11 VAL 24 1HG1 VAL 24 3.853 6.911 -4.694 156 HG12 VAL 24 2HG1 VAL 24 4.841 7.772 -5.876 157 HG13 VAL 24 3HG1 VAL 24 5.373 6.211 -5.249 158 HG21 VAL 24 3HG2 VAL 24 3.774 7.697 -2.770 159 HG22 VAL 24 1HG2 VAL 24 5.116 6.785 -2.077 160 HG23 VAL 24 2HG2 VAL 24 5.073 8.542 -1.926 161 H ASP 25 H ASP 25 7.970 9.326 -4.863 162 HA ASP 25 HA ASP 25 8.112 8.679 -7.509 163 HB2 ASP 25 1HB ASP 25 8.827 10.846 -6.177 164 HB3 ASP 25 2HB ASP 25 10.435 10.144 -6.329 165 H ASN 26 H ASN 26 10.685 8.119 -5.111 166 HA ASN 26 HA ASN 26 12.596 6.968 -6.703 167 HB2 ASN 26 1HB ASN 26 13.140 7.355 -4.429 168 HB3 ASN 26 2HB ASN 26 11.798 6.367 -3.859 169 HD21 ASN 26 1HD2 ASN 26 12.852 4.870 -2.703 170 HD22 ASN 26 2HD2 ASN 26 14.036 3.787 -3.345 171 H ILE 27 H ILE 27 9.995 5.226 -4.997 172 HA ILE 27 HA ILE 27 10.561 2.690 -6.035 173 HB ILE 27 HB ILE 27 7.891 3.800 -5.159 174 HG12 ILE 27 1HG1 ILE 27 9.885 2.126 -3.620 175 HG13 ILE 27 2HG1 ILE 27 9.733 3.872 -3.463 176 HG21 ILE 27 1HG2 ILE 27 8.363 1.456 -6.524 177 HG22 ILE 27 2HG2 ILE 27 8.337 0.945 -4.837 178 HG23 ILE 27 3HG2 ILE 27 6.957 1.806 -5.518 179 HD11 ILE 27 3HD1 ILE 27 8.479 3.158 -1.696 180 HD12 ILE 27 1HD1 ILE 27 7.238 3.300 -2.940 181 HD13 ILE 27 2HD1 ILE 27 7.907 1.718 -2.540 182 HA PRO 28 HA PRO 28 9.361 3.539 -10.273 183 HB2 PRO 28 1HB PRO 28 10.180 1.136 -11.235 184 HB3 PRO 28 2HB PRO 28 11.295 2.465 -10.893 185 HG2 PRO 28 1HG PRO 28 10.648 0.061 -9.231 186 HG3 PRO 28 2HG PRO 28 12.225 0.802 -9.559 187 HD2 PRO 28 1HD PRO 28 10.870 1.218 -7.251 188 HD3 PRO 28 2HD PRO 28 11.917 2.453 -7.980 189 H LEU 29 H LEU 29 7.213 3.494 -10.580 190 HA LEU 29 HA LEU 29 5.870 0.876 -10.486 191 HB2 LEU 29 1HB LEU 29 4.962 3.516 -9.401 192 HB3 LEU 29 2HB LEU 29 3.792 2.289 -9.881 193 HG LEU 29 HG LEU 29 5.955 1.611 -7.928 194 HD11 LEU 29 1HD1 LEU 29 3.944 3.613 -7.527 195 HD12 LEU 29 2HD1 LEU 29 5.198 3.050 -6.422 196 HD13 LEU 29 3HD1 LEU 29 3.638 2.230 -6.475 197 HD21 LEU 29 3HD2 LEU 29 4.220 0.062 -7.116 198 HD22 LEU 29 1HD2 LEU 29 4.619 -0.201 -8.813 199 HD23 LEU 29 2HD2 LEU 29 3.133 0.644 -8.378 200 H SER 30 H SER 30 5.032 0.313 -12.375 201 HA SER 30 HA SER 30 5.066 2.015 -14.629 202 HB2 SER 30 1HB SER 30 5.246 -0.461 -14.751 203 HB3 SER 30 2HB SER 30 3.552 -0.585 -14.280 204 HG SER 30 HG SER 30 3.472 -0.623 -16.444 205 H ARG 31 H ARG 31 3.856 3.857 -14.220 206 HA ARG 31 HA ARG 31 1.121 3.747 -14.898 207 HB2 ARG 31 1HB ARG 31 0.433 4.843 -12.601 208 HB3 ARG 31 2HB ARG 31 0.443 3.096 -12.802 209 HG2 ARG 31 1HG ARG 31 1.565 3.234 -10.840 210 HG3 ARG 31 2HG ARG 31 2.934 3.390 -11.944 211 HD2 ARG 31 1HD ARG 31 2.272 5.959 -11.770 212 HD3 ARG 31 2HD ARG 31 1.634 5.423 -10.216 213 HE ARG 31 HE ARG 31 4.363 4.638 -10.811 214 HH11 ARG 31 1HH1 ARG 31 2.232 6.908 -9.252 215 HH12 ARG 31 2HH1 ARG 31 3.443 7.494 -8.161 216 HH21 ARG 31 1HH2 ARG 31 5.966 5.402 -9.379 217 HH22 ARG 31 2HH2 ARG 31 5.567 6.638 -8.235 218 HA PRO 32 HA PRO 32 2.140 7.896 -15.957 219 HB2 PRO 32 1HB PRO 32 -0.363 8.876 -16.333 220 HB3 PRO 32 2HB PRO 32 0.418 7.773 -17.472 221 HG2 PRO 32 1HG PRO 32 -1.594 7.178 -15.337 222 HG3 PRO 32 2HG PRO 32 -1.513 6.567 -16.999 223 HD2 PRO 32 1HD PRO 32 -0.671 5.118 -14.872 224 HD3 PRO 32 2HD PRO 32 0.081 4.987 -16.475 225 H LYS 33 H LYS 33 0.911 7.003 -13.048 226 HA LYS 33 HA LYS 33 0.129 8.145 -11.177 227 HB2 LYS 33 1HB LYS 33 1.978 9.784 -10.465 228 HB3 LYS 33 2HB LYS 33 2.422 8.100 -10.709 229 HG2 LYS 33 1HG LYS 33 4.133 9.209 -11.771 230 HG3 LYS 33 2HG LYS 33 3.031 8.876 -13.109 231 HD2 LYS 33 1HD LYS 33 2.199 11.108 -13.082 232 HD3 LYS 33 2HD LYS 33 3.021 11.461 -11.561 233 HE2 LYS 33 1HE LYS 33 5.186 11.194 -12.677 234 HE3 LYS 33 2HE LYS 33 4.359 10.848 -14.195 235 HZ1 LYS 33 3HZ LYS 33 4.671 13.049 -14.484 236 HZ2 LYS 33 1HZ LYS 33 4.744 13.388 -12.828 237 HZ3 LYS 33 2HZ LYS 33 3.246 13.167 -13.581 238 H ARG 34 H ARG 34 -1.205 9.174 -13.428 239 HA ARG 34 HA ARG 34 -1.112 11.857 -13.933 240 HB2 ARG 34 1HB ARG 34 -3.480 11.749 -14.463 241 HB3 ARG 34 2HB ARG 34 -2.675 10.287 -15.017 242 HG2 ARG 34 1HG ARG 34 -3.980 10.309 -12.337 243 HG3 ARG 34 2HG ARG 34 -4.969 10.152 -13.790 244 HD2 ARG 34 1HD ARG 34 -3.384 8.274 -14.464 245 HD3 ARG 34 2HD ARG 34 -2.792 8.331 -12.804 246 HE ARG 34 HE ARG 34 -5.586 8.123 -12.756 247 HH11 ARG 34 1HH1 ARG 34 -2.787 6.244 -13.623 248 HH12 ARG 34 2HH1 ARG 34 -3.542 4.722 -13.286 249 HH21 ARG 34 1HH2 ARG 34 -6.592 6.125 -12.310 250 HH22 ARG 34 2HH2 ARG 34 -5.708 4.655 -12.540 251 H ASN 35 H ASN 35 -2.261 10.267 -11.044 252 HA ASN 35 HA ASN 35 -2.261 12.788 -9.632 253 HB2 ASN 35 1HB ASN 35 -4.787 11.212 -10.090 254 HB3 ASN 35 2HB ASN 35 -4.600 12.265 -8.690 255 HD21 ASN 35 1HD2 ASN 35 -3.520 14.472 -9.467 256 HD22 ASN 35 2HD2 ASN 35 -4.384 15.234 -10.755 257 H LEU 36 H LEU 36 -1.264 12.419 -7.773 258 HA LEU 36 HA LEU 36 -0.674 9.828 -6.823 259 HB2 LEU 36 1HB LEU 36 0.642 11.949 -6.440 260 HB3 LEU 36 2HB LEU 36 -0.557 12.372 -5.219 261 HG LEU 36 HG LEU 36 0.888 9.767 -5.008 262 HD11 LEU 36 1HD1 LEU 36 2.516 11.704 -5.430 263 HD12 LEU 36 2HD1 LEU 36 2.776 10.696 -4.007 264 HD13 LEU 36 3HD1 LEU 36 2.024 12.282 -3.837 265 HD21 LEU 36 3HD2 LEU 36 -1.024 11.088 -3.501 266 HD22 LEU 36 1HD2 LEU 36 0.481 11.364 -2.625 267 HD23 LEU 36 2HD2 LEU 36 -0.041 9.718 -2.985 268 H SER 37 H SER 37 -3.201 12.126 -6.069 269 HA SER 37 HA SER 37 -4.104 10.765 -3.714 270 HB2 SER 37 1HB SER 37 -4.483 13.196 -4.115 271 HB3 SER 37 2HB SER 37 -5.589 12.776 -5.422 272 HG SER 37 HG SER 37 -6.731 11.522 -3.734 273 H ARG 38 H ARG 38 -5.170 10.923 -7.091 274 HA ARG 38 HA ARG 38 -7.385 9.158 -6.699 275 HB2 ARG 38 1HB ARG 38 -7.090 10.909 -8.547 276 HB3 ARG 38 2HB ARG 38 -6.046 9.734 -9.335 277 HG2 ARG 38 1HG ARG 38 -7.773 8.342 -9.864 278 HG3 ARG 38 2HG ARG 38 -8.750 8.851 -8.485 279 HD2 ARG 38 1HD ARG 38 -9.823 9.715 -10.405 280 HD3 ARG 38 2HD ARG 38 -9.002 11.079 -9.648 281 HE ARG 38 HE ARG 38 -7.313 9.927 -11.580 282 HH11 ARG 38 1HH1 ARG 38 -10.239 11.797 -11.326 283 HH12 ARG 38 2HH1 ARG 38 -10.028 12.578 -12.858 284 HH21 ARG 38 1HH2 ARG 38 -7.024 10.949 -13.599 285 HH22 ARG 38 2HH2 ARG 38 -8.199 12.094 -14.150 286 H ASP 39 H ASP 39 -4.408 8.733 -8.623 287 HA ASP 39 HA ASP 39 -4.504 6.132 -9.269 288 HB2 ASP 39 1HB ASP 39 -2.565 7.873 -9.500 289 HB3 ASP 39 2HB ASP 39 -1.955 7.113 -8.033 290 H PHE 40 H PHE 40 -3.102 7.226 -6.175 291 HA PHE 40 HA PHE 40 -2.809 4.674 -5.061 292 HB2 PHE 40 1HB PHE 40 -2.854 7.455 -4.006 293 HB3 PHE 40 2HB PHE 40 -3.066 6.149 -2.843 294 HD1 PHE 40 1HD PHE 40 -1.275 4.583 -2.388 295 HD2 PHE 40 2HD PHE 40 -0.763 7.770 -5.162 296 HE1 PHE 40 1HE PHE 40 1.160 4.239 -2.328 297 HE2 PHE 40 2HE PHE 40 1.673 7.431 -5.108 298 HZ PHE 40 HZ PHE 40 2.638 5.663 -3.690 299 H SER 41 H SER 41 -5.457 7.017 -4.799 300 HA SER 41 HA SER 41 -7.110 6.046 -2.950 301 HB2 SER 41 1HB SER 41 -7.636 7.871 -4.611 302 HB3 SER 41 2HB SER 41 -8.118 6.610 -5.745 303 HG SER 41 HG SER 41 -9.236 6.509 -3.202 304 H ASP 42 H ASP 42 -6.540 4.517 -6.077 305 HA ASP 42 HA ASP 42 -8.435 2.404 -5.599 306 HB2 ASP 42 1HB ASP 42 -6.255 2.397 -7.681 307 HB3 ASP 42 2HB ASP 42 -7.800 1.553 -7.721 308 H GLY 43 H GLY 43 -7.760 1.465 -3.649 309 HA2 GLY 43 1HA GLY 43 -5.396 0.699 -2.684 310 HA3 GLY 43 2HA GLY 43 -6.779 -0.383 -2.622 311 H VAL 44 H VAL 44 -7.040 -1.026 -5.313 312 HA VAL 44 HA VAL 44 -5.582 -3.238 -5.699 313 HB VAL 44 HB VAL 44 -6.322 -1.271 -7.868 314 HG11 VAL 44 1HG1 VAL 44 -5.204 -4.038 -7.971 315 HG12 VAL 44 2HG1 VAL 44 -6.329 -3.501 -9.220 316 HG13 VAL 44 3HG1 VAL 44 -4.816 -2.632 -8.961 317 HG21 VAL 44 3HG2 VAL 44 -7.780 -3.382 -6.385 318 HG22 VAL 44 1HG2 VAL 44 -8.360 -1.855 -7.050 319 HG23 VAL 44 2HG2 VAL 44 -8.103 -3.239 -8.113 320 H LEU 45 H LEU 45 -4.532 -0.003 -6.739 321 HA LEU 45 HA LEU 45 -2.034 -0.856 -7.766 322 HB2 LEU 45 1HB LEU 45 -3.048 1.235 -8.452 323 HB3 LEU 45 2HB LEU 45 -2.946 1.851 -6.804 324 HG LEU 45 HG LEU 45 -0.360 1.429 -7.194 325 HD11 LEU 45 1HD1 LEU 45 -0.161 2.364 -9.711 326 HD12 LEU 45 2HD1 LEU 45 -1.564 1.309 -9.879 327 HD13 LEU 45 3HD1 LEU 45 -0.037 0.657 -9.285 328 HD21 LEU 45 3HD2 LEU 45 -2.159 3.693 -7.641 329 HD22 LEU 45 1HD2 LEU 45 -0.595 3.843 -8.441 330 HD23 LEU 45 2HD2 LEU 45 -0.672 3.591 -6.697 331 H VAL 46 H VAL 46 -2.967 0.640 -4.680 332 HA VAL 46 HA VAL 46 -0.617 1.030 -3.421 333 HB VAL 46 HB VAL 46 -3.016 -0.333 -2.189 334 HG11 VAL 46 1HG1 VAL 46 -0.576 -0.166 -1.048 335 HG12 VAL 46 2HG1 VAL 46 -1.269 1.378 -0.548 336 HG13 VAL 46 3HG1 VAL 46 -2.089 -0.130 -0.144 337 HG21 VAL 46 3HG2 VAL 46 -3.929 1.745 -1.790 338 HG22 VAL 46 1HG2 VAL 46 -2.373 2.568 -1.905 339 HG23 VAL 46 2HG2 VAL 46 -3.179 1.996 -3.366 340 H ALA 47 H ALA 47 -2.293 -2.118 -3.466 341 HA ALA 47 HA ALA 47 -0.606 -3.701 -2.076 342 HB1 ALA 47 3HB ALA 47 -1.196 -5.546 -3.659 343 HB2 ALA 47 1HB ALA 47 -2.574 -4.629 -3.050 344 HB3 ALA 47 2HB ALA 47 -1.973 -4.339 -4.683 345 H GLU 48 H GLU 48 -0.142 -2.723 -5.460 346 HA GLU 48 HA GLU 48 2.116 -4.169 -6.084 347 HB2 GLU 48 1HB GLU 48 1.413 -1.343 -6.892 348 HB3 GLU 48 2HB GLU 48 2.681 -2.300 -7.644 349 HG2 GLU 48 1HG GLU 48 -0.048 -3.456 -7.512 350 HG3 GLU 48 2HG GLU 48 0.254 -2.152 -8.659 351 H VAL 49 H VAL 49 1.958 -0.989 -4.503 352 HA VAL 49 HA VAL 49 4.603 -0.352 -4.281 353 HB VAL 49 HB VAL 49 2.507 -0.019 -2.130 354 HG11 VAL 49 1HG1 VAL 49 4.088 2.036 -1.681 355 HG12 VAL 49 2HG1 VAL 49 4.425 0.457 -0.969 356 HG13 VAL 49 3HG1 VAL 49 5.298 0.981 -2.410 357 HG21 VAL 49 3HG2 VAL 49 3.241 1.554 -4.564 358 HG22 VAL 49 1HG2 VAL 49 1.647 1.111 -3.954 359 HG23 VAL 49 2HG2 VAL 49 2.580 2.374 -3.150 360 H ILE 50 H ILE 50 2.779 -2.282 -1.898 361 HA ILE 50 HA ILE 50 4.788 -2.896 -0.142 362 HB ILE 50 HB ILE 50 2.616 -4.778 -1.073 363 HG12 ILE 50 1HG1 ILE 50 2.558 -3.086 1.411 364 HG13 ILE 50 2HG1 ILE 50 2.025 -2.432 -0.133 365 HG21 ILE 50 1HG2 ILE 50 4.760 -5.079 0.838 366 HG22 ILE 50 2HG2 ILE 50 3.183 -5.246 1.607 367 HG23 ILE 50 3HG2 ILE 50 3.610 -6.274 0.239 368 HD11 ILE 50 3HD1 ILE 50 0.894 -4.863 1.231 369 HD12 ILE 50 1HD1 ILE 50 0.158 -3.262 1.183 370 HD13 ILE 50 2HD1 ILE 50 0.350 -4.189 -0.305 371 H LYS 51 H LYS 51 4.029 -4.543 -3.186 372 HA LYS 51 HA LYS 51 5.566 -6.735 -3.204 373 HB2 LYS 51 1HB LYS 51 4.306 -5.516 -5.147 374 HB3 LYS 51 2HB LYS 51 5.893 -4.852 -5.513 375 HG2 LYS 51 1HG LYS 51 5.448 -7.802 -5.220 376 HG3 LYS 51 2HG LYS 51 5.173 -6.961 -6.747 377 HD2 LYS 51 1HD LYS 51 7.466 -6.224 -6.809 378 HD3 LYS 51 2HD LYS 51 7.764 -6.889 -5.202 379 HE2 LYS 51 1HE LYS 51 8.603 -8.589 -6.467 380 HE3 LYS 51 2HE LYS 51 6.922 -9.111 -6.370 381 HZ1 LYS 51 3HZ LYS 51 7.178 -9.237 -8.594 382 HZ2 LYS 51 1HZ LYS 51 8.420 -8.089 -8.645 383 HZ3 LYS 51 2HZ LYS 51 6.809 -7.587 -8.529 384 H PHE 52 H PHE 52 6.903 -3.558 -4.136 385 HA PHE 52 HA PHE 52 9.504 -4.080 -4.492 386 HB2 PHE 52 1HB PHE 52 8.715 -1.815 -4.609 387 HB3 PHE 52 2HB PHE 52 8.327 -1.805 -2.891 388 HD1 PHE 52 2HD PHE 52 10.164 -1.817 -1.219 389 HD2 PHE 52 1HD PHE 52 10.889 -1.324 -5.384 390 HE1 PHE 52 2HE PHE 52 12.399 -0.916 -0.720 391 HE2 PHE 52 1HE PHE 52 13.125 -0.424 -4.892 392 HZ PHE 52 HZ PHE 52 13.882 -0.218 -2.557 393 H TYR 53 H TYR 53 7.925 -3.889 -1.334 394 HA TYR 53 HA TYR 53 10.377 -4.469 0.079 395 HB2 TYR 53 1HB TYR 53 7.512 -4.147 0.971 396 HB3 TYR 53 2HB TYR 53 8.812 -4.577 2.076 397 HD1 TYR 53 1HD TYR 53 10.613 -2.959 2.560 398 HD2 TYR 53 2HD TYR 53 7.267 -1.910 0.151 399 HE1 TYR 53 1HE TYR 53 11.155 -0.578 2.856 400 HE2 TYR 53 2HE TYR 53 7.800 0.474 0.438 401 HH TYR 53 HH TYR 53 10.743 1.520 2.033 402 H PHE 54 H PHE 54 7.217 -6.111 -0.165 403 HA PHE 54 HA PHE 54 8.641 -8.680 -0.014 404 HB2 PHE 54 1HB PHE 54 6.027 -8.084 1.385 405 HB3 PHE 54 2HB PHE 54 6.943 -9.586 1.457 406 HD1 PHE 54 1HD PHE 54 9.457 -9.256 2.270 407 HD2 PHE 54 2HD PHE 54 6.220 -6.635 3.146 408 HE1 PHE 54 1HE PHE 54 10.670 -8.423 4.241 409 HE2 PHE 54 2HE PHE 54 7.429 -5.796 5.118 410 HZ PHE 54 HZ PHE 54 9.657 -6.689 5.667 411 HA PRO 55 HA PRO 55 6.251 -9.172 -3.765 412 HB2 PRO 55 1HB PRO 55 7.357 -11.555 -4.451 413 HB3 PRO 55 2HB PRO 55 8.172 -10.008 -4.709 414 HG2 PRO 55 1HG PRO 55 8.543 -12.001 -2.506 415 HG3 PRO 55 2HG PRO 55 9.768 -11.097 -3.415 416 HD2 PRO 55 1HD PRO 55 8.964 -10.369 -0.935 417 HD3 PRO 55 2HD PRO 55 9.475 -9.188 -2.158 418 H LYS 56 H LYS 56 6.842 -11.988 -1.651 419 HA LYS 56 HA LYS 56 4.639 -13.501 -2.394 420 HB2 LYS 56 1HB LYS 56 6.001 -13.323 0.299 421 HB3 LYS 56 2HB LYS 56 4.860 -14.581 -0.157 422 HG2 LYS 56 1HG LYS 56 6.369 -15.288 -1.953 423 HG3 LYS 56 2HG LYS 56 7.518 -14.040 -1.466 424 HD2 LYS 56 1HD LYS 56 8.014 -15.113 0.546 425 HD3 LYS 56 2HD LYS 56 6.545 -16.091 0.494 426 HE2 LYS 56 1HE LYS 56 8.290 -17.570 -0.043 427 HE3 LYS 56 2HE LYS 56 7.528 -17.178 -1.583 428 HZ1 LYS 56 3HZ LYS 56 9.285 -15.554 -1.983 429 HZ2 LYS 56 1HZ LYS 56 9.925 -17.105 -1.765 430 HZ3 LYS 56 2HZ LYS 56 10.022 -15.967 -0.518 431 H MET 57 H MET 57 4.873 -11.475 0.539 432 HA MET 57 HA MET 57 2.402 -11.590 1.551 433 HB2 MET 57 1HB MET 57 3.989 -9.060 1.091 434 HB3 MET 57 2HB MET 57 2.601 -9.175 2.164 435 HG2 MET 57 1HG MET 57 4.857 -11.068 2.556 436 HG3 MET 57 2HG MET 57 5.057 -9.392 3.063 437 HE1 MET 57 3HE MET 57 2.483 -8.888 5.824 438 HE2 MET 57 1HE MET 57 3.596 -8.168 4.660 439 HE3 MET 57 2HE MET 57 1.981 -8.658 4.149 440 H VAL 58 H VAL 58 3.280 -9.660 -1.291 441 HA VAL 58 HA VAL 58 0.650 -8.630 -1.697 442 HB VAL 58 HB VAL 58 2.973 -8.808 -3.622 443 HG11 VAL 58 1HG1 VAL 58 1.794 -7.640 -5.161 444 HG12 VAL 58 2HG1 VAL 58 0.427 -8.421 -4.363 445 HG13 VAL 58 3HG1 VAL 58 0.865 -6.764 -3.946 446 HG21 VAL 58 3HG2 VAL 58 3.438 -7.491 -1.594 447 HG22 VAL 58 1HG2 VAL 58 3.385 -6.488 -3.043 448 HG23 VAL 58 2HG2 VAL 58 2.019 -6.499 -1.928 449 H GLU 59 H GLU 59 -0.935 -10.098 -1.993 450 HA GLU 59 HA GLU 59 -0.507 -12.238 -3.959 451 HB2 GLU 59 1HB GLU 59 -1.400 -12.571 -1.496 452 HB3 GLU 59 2HB GLU 59 -2.933 -12.110 -2.221 453 HG2 GLU 59 1HG GLU 59 -1.236 -14.306 -3.354 454 HG3 GLU 59 2HG GLU 59 -2.408 -14.589 -2.068 455 H MET 60 H MET 60 -0.743 -10.017 -5.298 456 HA MET 60 HA MET 60 -3.269 -8.945 -5.788 457 HB2 MET 60 1HB MET 60 -0.782 -9.179 -7.455 458 HB3 MET 60 2HB MET 60 -2.246 -8.472 -8.125 459 HG2 MET 60 1HG MET 60 -0.684 -7.499 -5.748 460 HG3 MET 60 2HG MET 60 -0.829 -6.723 -7.323 461 HE1 MET 60 3HE MET 60 -4.680 -5.865 -7.340 462 HE2 MET 60 1HE MET 60 -3.172 -5.346 -8.094 463 HE3 MET 60 2HE MET 60 -3.639 -7.046 -8.138 464 H HIS 61 H HIS 61 -4.006 -9.160 -8.339 465 HA HIS 61 HA HIS 61 -5.072 -10.437 -9.900 466 HB2 HIS 61 1HB HIS 61 -2.905 -11.763 -9.838 467 HB3 HIS 61 2HB HIS 61 -3.710 -12.857 -8.718 468 HD1 HIS 61 1HD HIS 61 -4.517 -14.866 -9.887 469 HD2 HIS 61 2HD HIS 61 -4.764 -11.490 -12.297 470 HE1 HIS 61 1HE HIS 61 -5.484 -15.665 -12.067 471 HE2 HIS 61 2HE HIS 61 -5.545 -13.621 -13.538 472 H ASN 62 H ASN 62 -6.010 -9.993 -7.101 473 HA ASN 62 HA ASN 62 -8.106 -12.053 -7.114 474 HB2 ASN 62 1HB ASN 62 -7.899 -12.538 -4.873 475 HB3 ASN 62 2HB ASN 62 -6.213 -12.216 -5.270 476 HD21 ASN 62 1HD2 ASN 62 -5.212 -10.975 -3.877 477 HD22 ASN 62 2HD2 ASN 62 -5.930 -9.742 -2.903 478 H TYR 63 H TYR 63 -7.102 -8.811 -6.167 479 HA TYR 63 HA TYR 63 -9.658 -7.947 -5.281 480 HB2 TYR 63 1HB TYR 63 -7.069 -6.628 -5.945 481 HB3 TYR 63 2HB TYR 63 -8.510 -5.620 -5.872 482 HD1 TYR 63 2HD TYR 63 -9.852 -5.578 -3.736 483 HD2 TYR 63 1HD TYR 63 -5.995 -7.357 -3.975 484 HE1 TYR 63 2HE TYR 63 -9.654 -5.463 -1.287 485 HE2 TYR 63 1HE TYR 63 -5.786 -7.248 -1.526 486 HH TYR 63 HH TYR 63 -8.026 -7.050 0.503 487 H VAL 64 H VAL 64 -10.658 -5.926 -6.392 488 HA VAL 64 HA VAL 64 -10.708 -6.252 -9.308 489 HB VAL 64 HB VAL 64 -13.137 -6.258 -7.516 490 HG11 VAL 64 1HG1 VAL 64 -13.905 -6.623 -10.189 491 HG12 VAL 64 2HG1 VAL 64 -14.261 -5.247 -9.143 492 HG13 VAL 64 3HG1 VAL 64 -12.831 -5.225 -10.176 493 HG21 VAL 64 3HG2 VAL 64 -13.529 -8.340 -9.075 494 HG22 VAL 64 1HG2 VAL 64 -11.774 -8.270 -9.237 495 HG23 VAL 64 2HG2 VAL 64 -12.506 -8.460 -7.644 496 HA PRO 65 HA PRO 65 -10.401 -1.834 -9.011 497 HB2 PRO 65 1HB PRO 65 -10.605 -1.332 -11.671 498 HB3 PRO 65 2HB PRO 65 -9.131 -1.956 -10.922 499 HG2 PRO 65 1HG PRO 65 -11.271 -3.431 -12.407 500 HG3 PRO 65 2HG PRO 65 -9.510 -3.612 -12.510 501 HD2 PRO 65 1HD PRO 65 -11.068 -5.306 -11.084 502 HD3 PRO 65 2HD PRO 65 -9.406 -4.906 -10.606 503 H ALA 66 H ALA 66 -11.720 0.008 -9.316 504 HA ALA 66 HA ALA 66 -14.265 -0.140 -10.604 505 HB1 ALA 66 3HB ALA 66 -14.095 -0.864 -7.797 506 HB2 ALA 66 1HB ALA 66 -15.199 0.482 -8.083 507 HB3 ALA 66 2HB ALA 66 -15.430 -1.046 -8.934 508 H ASN 67 H ASN 67 -15.648 1.869 -9.748 509 HA ASN 67 HA ASN 67 -13.806 4.131 -9.361 510 HB2 ASN 67 1HB ASN 67 -16.226 4.267 -11.157 511 HB3 ASN 67 2HB ASN 67 -14.905 5.424 -11.025 512 HD21 ASN 67 1HD2 ASN 67 -13.583 5.383 -12.677 513 HD22 ASN 67 2HD2 ASN 67 -13.169 3.998 -13.624 514 H SER 68 H SER 68 -17.111 2.914 -9.096 515 HA SER 68 HA SER 68 -18.323 5.039 -7.808 516 HB2 SER 68 1HB SER 68 -18.757 2.064 -7.558 517 HB3 SER 68 2HB SER 68 -19.774 3.235 -6.720 518 HG SER 68 HG SER 68 -20.327 4.111 -8.738 519 H LEU 69 H LEU 69 -19.149 4.753 -5.405 520 HA LEU 69 HA LEU 69 -16.751 4.856 -3.765 521 HB2 LEU 69 1HB LEU 69 -18.529 6.620 -3.702 522 HB3 LEU 69 2HB LEU 69 -19.598 5.429 -2.966 523 HG LEU 69 HG LEU 69 -17.838 5.246 -1.121 524 HD11 LEU 69 1HD1 LEU 69 -16.057 6.592 -1.079 525 HD12 LEU 69 2HD1 LEU 69 -16.986 7.991 -1.617 526 HD13 LEU 69 3HD1 LEU 69 -16.367 6.836 -2.798 527 HD21 LEU 69 3HD2 LEU 69 -19.019 6.741 0.129 528 HD22 LEU 69 1HD2 LEU 69 -20.098 6.621 -1.261 529 HD23 LEU 69 2HD2 LEU 69 -18.988 7.984 -1.122 530 H GLN 70 H GLN 70 -19.976 3.352 -3.475 531 HA GLN 70 HA GLN 70 -19.675 1.786 -1.300 532 HB2 GLN 70 1HB GLN 70 -20.920 0.946 -3.923 533 HB3 GLN 70 2HB GLN 70 -21.168 0.124 -2.389 534 HG2 GLN 70 1HG GLN 70 -21.777 3.034 -2.624 535 HG3 GLN 70 2HG GLN 70 -22.913 1.841 -3.252 536 HE21 GLN 70 1HE2 GLN 70 -24.286 0.910 -1.885 537 HE22 GLN 70 2HE2 GLN 70 -24.230 1.046 -0.164 538 H GLN 71 H GLN 71 -18.495 0.976 -4.549 539 HA GLN 71 HA GLN 71 -17.434 -1.544 -3.902 540 HB2 GLN 71 1HB GLN 71 -17.826 -0.408 -6.215 541 HB3 GLN 71 2HB GLN 71 -16.198 0.219 -5.991 542 HG2 GLN 71 1HG GLN 71 -16.318 -1.862 -7.334 543 HG3 GLN 71 2HG GLN 71 -15.282 -1.977 -5.912 544 HE21 GLN 71 1HE2 GLN 71 -15.394 -4.030 -5.307 545 HE22 GLN 71 2HE2 GLN 71 -16.849 -4.913 -5.012 546 H LYS 72 H LYS 72 -15.695 1.538 -4.366 547 HA LYS 72 HA LYS 72 -13.171 0.928 -3.728 548 HB2 LYS 72 1HB LYS 72 -14.735 3.278 -2.648 549 HB3 LYS 72 2HB LYS 72 -12.982 3.150 -2.592 550 HG2 LYS 72 1HG LYS 72 -14.298 2.826 -5.228 551 HG3 LYS 72 2HG LYS 72 -14.248 4.443 -4.523 552 HD2 LYS 72 1HD LYS 72 -12.260 4.478 -5.635 553 HD3 LYS 72 2HD LYS 72 -11.710 3.766 -4.116 554 HE2 LYS 72 1HE LYS 72 -10.866 2.580 -6.121 555 HE3 LYS 72 2HE LYS 72 -11.823 1.554 -5.053 556 HZ1 LYS 72 3HZ LYS 72 -12.234 1.520 -7.601 557 HZ2 LYS 72 1HZ LYS 72 -13.141 2.916 -7.299 558 HZ3 LYS 72 2HZ LYS 72 -13.549 1.461 -6.539 559 H LEU 73 H LEU 73 -15.362 2.004 -1.125 560 HA LEU 73 HA LEU 73 -13.888 1.388 1.056 561 HB2 LEU 73 1HB LEU 73 -16.810 1.277 0.514 562 HB3 LEU 73 2HB LEU 73 -16.220 0.628 2.043 563 HG LEU 73 HG LEU 73 -15.787 3.453 1.075 564 HD11 LEU 73 1HD1 LEU 73 -17.904 3.761 1.701 565 HD12 LEU 73 2HD1 LEU 73 -17.324 3.539 3.351 566 HD13 LEU 73 3HD1 LEU 73 -18.001 2.174 2.464 567 HD21 LEU 73 3HD2 LEU 73 -15.483 3.048 3.891 568 HD22 LEU 73 1HD2 LEU 73 -14.318 3.670 2.722 569 HD23 LEU 73 2HD2 LEU 73 -14.431 1.934 3.017 570 H SER 74 H SER 74 -15.814 -0.897 -0.839 571 HA SER 74 HA SER 74 -15.587 -3.152 0.745 572 HB2 SER 74 1HB SER 74 -16.799 -2.734 -1.561 573 HB3 SER 74 2HB SER 74 -15.324 -3.437 -2.223 574 HG SER 74 HG SER 74 -16.611 -4.741 -0.105 575 H ASN 75 H ASN 75 -13.386 -2.083 -1.842 576 HA ASN 75 HA ASN 75 -11.527 -4.164 -1.576 577 HB2 ASN 75 1HB ASN 75 -11.057 -1.322 -2.505 578 HB3 ASN 75 2HB ASN 75 -9.973 -2.682 -2.783 579 HD21 ASN 75 1HD2 ASN 75 -10.180 -2.258 -5.027 580 HD22 ASN 75 2HD2 ASN 75 -11.572 -2.794 -5.899 581 H TRP 76 H TRP 76 -11.271 -0.817 -0.364 582 HA TRP 76 HA TRP 76 -8.956 -1.048 1.090 583 HB2 TRP 76 1HB TRP 76 -11.386 0.652 1.329 584 HB3 TRP 76 2HB TRP 76 -10.273 0.639 2.695 585 HD1 TRP 76 HD TRP 76 -10.850 2.367 -0.492 586 HE1 TRP 76 1HE TRP 76 -8.785 3.742 -1.178 587 HE3 TRP 76 3HE TRP 76 -7.436 0.380 2.754 588 HZ2 TRP 76 2HZ TRP 76 -6.068 3.955 -0.442 589 HZ3 TRP 76 3HZ TRP 76 -5.125 1.224 2.698 590 HH2 TRP 76 HH TRP 76 -4.458 2.974 1.132 591 H GLY 77 H GLY 77 -12.261 -1.627 2.302 592 HA2 GLY 77 1HA GLY 77 -11.727 -2.311 4.901 593 HA3 GLY 77 2HA GLY 77 -13.008 -3.049 3.951 594 H HIS 78 H HIS 78 -11.600 -4.493 2.096 595 HA HIS 78 HA HIS 78 -10.886 -6.793 3.574 596 HB2 HIS 78 1HB HIS 78 -10.554 -6.080 0.660 597 HB3 HIS 78 2HB HIS 78 -10.113 -7.654 1.316 598 HD1 HIS 78 1HD HIS 78 -12.575 -6.612 -0.696 599 HD2 HIS 78 2HD HIS 78 -12.763 -8.246 3.119 600 HE1 HIS 78 1HE HIS 78 -14.889 -7.574 -0.490 601 HE2 HIS 78 2HE HIS 78 -15.008 -8.482 1.856 602 H LEU 79 H LEU 79 -8.887 -4.671 1.517 603 HA LEU 79 HA LEU 79 -6.425 -5.816 2.010 604 HB2 LEU 79 1HB LEU 79 -7.161 -3.831 0.477 605 HB3 LEU 79 2HB LEU 79 -6.675 -2.844 1.854 606 HG LEU 79 HG LEU 79 -4.455 -4.296 1.605 607 HD11 LEU 79 1HD1 LEU 79 -3.919 -4.839 -0.629 608 HD12 LEU 79 2HD1 LEU 79 -5.375 -4.060 -1.248 609 HD13 LEU 79 3HD1 LEU 79 -5.502 -5.553 -0.318 610 HD21 LEU 79 3HD2 LEU 79 -4.051 -2.343 -0.313 611 HD22 LEU 79 1HD2 LEU 79 -3.843 -2.162 1.429 612 HD23 LEU 79 2HD2 LEU 79 -5.369 -1.707 0.671 613 H ASN 80 H ASN 80 -8.438 -4.136 4.181 614 HA ASN 80 HA ASN 80 -6.410 -3.163 5.945 615 HB2 ASN 80 1HB ASN 80 -8.836 -2.345 5.746 616 HB3 ASN 80 2HB ASN 80 -9.261 -3.745 6.727 617 HD21 ASN 80 1HD2 ASN 80 -9.471 -3.300 8.785 618 HD22 ASN 80 2HD2 ASN 80 -8.592 -2.105 9.670 619 H ARG 81 H ARG 81 -8.447 -6.050 5.825 620 HA ARG 81 HA ARG 81 -6.967 -7.148 8.116 621 HB2 ARG 81 1HB ARG 81 -9.659 -7.805 6.935 622 HB3 ARG 81 2HB ARG 81 -8.847 -8.891 8.055 623 HG2 ARG 81 1HG ARG 81 -8.693 -6.680 9.506 624 HG3 ARG 81 2HG ARG 81 -10.109 -6.255 8.541 625 HD2 ARG 81 1HD ARG 81 -9.824 -8.829 10.082 626 HD3 ARG 81 2HD ARG 81 -10.624 -7.388 10.709 627 HE ARG 81 HE ARG 81 -11.695 -8.175 8.191 628 HH11 ARG 81 1HH1 ARG 81 -11.741 -8.907 11.595 629 HH12 ARG 81 2HH1 ARG 81 -13.332 -9.592 11.559 630 HH21 ARG 81 1HH2 ARG 81 -13.790 -9.074 8.132 631 HH22 ARG 81 2HH2 ARG 81 -14.496 -9.687 9.588 632 H LYS 82 H LYS 82 -6.935 -7.180 4.822 633 HA LYS 82 HA LYS 82 -6.152 -9.995 4.597 634 HB2 LYS 82 1HB LYS 82 -6.630 -7.911 2.458 635 HB3 LYS 82 2HB LYS 82 -6.208 -9.592 2.156 636 HG2 LYS 82 1HG LYS 82 -8.657 -8.817 3.707 637 HG3 LYS 82 2HG LYS 82 -8.654 -8.953 1.947 638 HD2 LYS 82 1HD LYS 82 -7.578 -11.208 3.576 639 HD3 LYS 82 2HD LYS 82 -9.327 -10.996 3.458 640 HE2 LYS 82 1HE LYS 82 -9.328 -11.327 1.147 641 HE3 LYS 82 2HE LYS 82 -7.599 -11.010 1.007 642 HZ1 LYS 82 3HZ LYS 82 -8.971 -13.449 1.898 643 HZ2 LYS 82 1HZ LYS 82 -7.425 -13.113 2.496 644 HZ3 LYS 82 2HZ LYS 82 -7.670 -13.278 0.831 645 H VAL 83 H VAL 83 -4.920 -6.723 4.161 646 HA VAL 83 HA VAL 83 -2.226 -7.845 3.751 647 HB VAL 83 HB VAL 83 -3.250 -5.108 2.982 648 HG11 VAL 83 1HG1 VAL 83 -1.097 -4.816 1.884 649 HG12 VAL 83 2HG1 VAL 83 -0.879 -5.108 3.611 650 HG13 VAL 83 3HG1 VAL 83 -0.577 -6.402 2.451 651 HG21 VAL 83 3HG2 VAL 83 -2.832 -7.643 1.447 652 HG22 VAL 83 1HG2 VAL 83 -4.200 -6.530 1.418 653 HG23 VAL 83 2HG2 VAL 83 -2.679 -6.080 0.646 654 H LEU 84 H LEU 84 -3.379 -4.659 4.823 655 HA LEU 84 HA LEU 84 -1.416 -3.910 6.483 656 HB2 LEU 84 1HB LEU 84 -4.344 -3.683 7.161 657 HB3 LEU 84 2HB LEU 84 -3.047 -2.690 7.823 658 HG LEU 84 HG LEU 84 -3.956 -2.725 4.945 659 HD11 LEU 84 1HD1 LEU 84 -4.158 -0.232 6.414 660 HD12 LEU 84 2HD1 LEU 84 -5.151 -1.509 7.117 661 HD13 LEU 84 3HD1 LEU 84 -5.357 -1.064 5.423 662 HD21 LEU 84 3HD2 LEU 84 -1.946 -1.876 4.506 663 HD22 LEU 84 1HD2 LEU 84 -1.540 -1.773 6.219 664 HD23 LEU 84 2HD2 LEU 84 -2.426 -0.460 5.442 665 H LYS 85 H LYS 85 -4.076 -6.065 7.442 666 HA LYS 85 HA LYS 85 -3.681 -6.499 10.055 667 HB2 LYS 85 1HB LYS 85 -5.097 -7.805 8.214 668 HB3 LYS 85 2HB LYS 85 -3.800 -8.978 8.408 669 HG2 LYS 85 1HG LYS 85 -5.096 -7.930 10.862 670 HG3 LYS 85 2HG LYS 85 -6.003 -9.067 9.861 671 HD2 LYS 85 1HD LYS 85 -3.964 -10.563 9.946 672 HD3 LYS 85 2HD LYS 85 -3.334 -9.483 11.192 673 HE2 LYS 85 1HE LYS 85 -4.370 -11.124 12.447 674 HE3 LYS 85 2HE LYS 85 -5.626 -9.892 12.340 675 HZ1 LYS 85 3HZ LYS 85 -5.972 -12.483 11.725 676 HZ2 LYS 85 1HZ LYS 85 -5.664 -11.825 10.197 677 HZ3 LYS 85 2HZ LYS 85 -6.936 -11.224 11.137 678 H ARG 86 H ARG 86 -1.756 -8.093 7.518 679 HA ARG 86 HA ARG 86 -0.046 -9.510 9.214 680 HB2 ARG 86 1HB ARG 86 0.642 -8.374 6.499 681 HB3 ARG 86 2HB ARG 86 1.429 -9.726 7.302 682 HG2 ARG 86 1HG ARG 86 -1.494 -9.825 6.683 683 HG3 ARG 86 2HG ARG 86 -0.294 -10.190 5.441 684 HD2 ARG 86 1HD ARG 86 0.433 -12.091 6.510 685 HD3 ARG 86 2HD ARG 86 -0.067 -11.515 8.100 686 HE ARG 86 HE ARG 86 -2.227 -12.062 6.257 687 HH11 ARG 86 1HH1 ARG 86 -0.168 -13.299 8.777 688 HH12 ARG 86 2HH1 ARG 86 -1.261 -14.565 9.229 689 HH21 ARG 86 1HH2 ARG 86 -3.675 -13.724 6.843 690 HH22 ARG 86 2HH2 ARG 86 -3.256 -14.806 8.128 691 H LEU 87 H LEU 87 0.128 -6.212 7.986 692 HA LEU 87 HA LEU 87 2.719 -5.748 9.187 693 HB2 LEU 87 1HB LEU 87 0.776 -3.965 7.738 694 HB3 LEU 87 2HB LEU 87 2.292 -3.383 8.424 695 HG LEU 87 HG LEU 87 2.299 -5.626 6.441 696 HD11 LEU 87 1HD1 LEU 87 2.217 -2.686 5.778 697 HD12 LEU 87 2HD1 LEU 87 0.964 -3.871 5.410 698 HD13 LEU 87 3HD1 LEU 87 2.546 -3.994 4.640 699 HD21 LEU 87 3HD2 LEU 87 4.524 -5.021 6.096 700 HD22 LEU 87 1HD2 LEU 87 4.306 -4.835 7.836 701 HD23 LEU 87 2HD2 LEU 87 4.296 -3.415 6.789 702 H ASN 88 H ASN 88 0.494 -6.514 10.922 703 HA ASN 88 HA ASN 88 -0.675 -5.811 12.783 704 HB2 ASN 88 1HB ASN 88 2.033 -4.552 13.277 705 HB3 ASN 88 2HB ASN 88 0.838 -4.946 14.509 706 HD21 ASN 88 1HD2 ASN 88 0.882 -6.900 15.397 707 HD22 ASN 88 2HD2 ASN 88 1.843 -8.226 14.846 708 H PHE 89 H PHE 89 -1.193 -4.082 10.618 709 HA PHE 89 HA PHE 89 -1.350 -1.465 11.962 710 HB2 PHE 89 1HB PHE 89 -0.087 -1.779 9.686 711 HB3 PHE 89 2HB PHE 89 -1.710 -1.779 9.004 712 HD1 PHE 89 2HD PHE 89 -3.201 0.214 9.463 713 HD2 PHE 89 1HD PHE 89 0.984 0.217 10.241 714 HE1 PHE 89 2HE PHE 89 -3.210 2.675 9.485 715 HE2 PHE 89 1HE PHE 89 0.981 2.677 10.265 716 HZ PHE 89 HZ PHE 89 -1.117 3.909 9.886 717 H SER 90 H SER 90 -3.302 -0.796 12.548 718 HA SER 90 HA SER 90 -5.649 -1.994 11.228 719 HB2 SER 90 1HB SER 90 -5.399 -1.137 14.122 720 HB3 SER 90 2HB SER 90 -6.844 -1.812 13.368 721 HG SER 90 HG SER 90 -5.346 -3.649 12.839 722 H VAL 91 H VAL 91 -7.330 -0.666 10.669 723 HA VAL 91 HA VAL 91 -7.104 2.188 11.320 724 HB VAL 91 HB VAL 91 -7.530 1.080 8.542 725 HG11 VAL 91 1HG1 VAL 91 -8.461 3.004 7.930 726 HG12 VAL 91 2HG1 VAL 91 -8.582 3.418 9.641 727 HG13 VAL 91 3HG1 VAL 91 -7.180 3.937 8.704 728 HG21 VAL 91 3HG2 VAL 91 -5.292 1.145 8.505 729 HG22 VAL 91 1HG2 VAL 91 -5.476 2.898 8.447 730 HG23 VAL 91 2HG2 VAL 91 -5.206 2.090 9.991 731 HA PRO 92 HA PRO 92 -11.397 1.549 12.233 732 HB2 PRO 92 1HB PRO 92 -12.005 4.148 12.728 733 HB3 PRO 92 2HB PRO 92 -11.117 3.135 13.872 734 HG2 PRO 92 1HG PRO 92 -10.074 5.153 11.923 735 HG3 PRO 92 2HG PRO 92 -9.598 4.876 13.608 736 HD2 PRO 92 1HD PRO 92 -8.153 3.948 11.515 737 HD3 PRO 92 2HD PRO 92 -8.249 3.088 13.065 738 H ASP 93 H ASP 93 -13.298 1.659 11.129 739 HA ASP 93 HA ASP 93 -13.435 2.044 8.444 740 HB2 ASP 93 1HB ASP 93 -15.524 2.279 10.585 741 HB3 ASP 93 2HB ASP 93 -15.944 2.600 8.905 742 H ASP 94 H ASP 94 -13.694 4.497 10.932 743 HA ASP 94 HA ASP 94 -14.740 6.619 9.499 744 HB2 ASP 94 1HB ASP 94 -12.486 6.939 11.476 745 HB3 ASP 94 2HB ASP 94 -13.809 8.053 11.144 746 H VAL 95 H VAL 95 -11.264 5.986 10.015 747 HA VAL 95 HA VAL 95 -10.350 7.904 8.185 748 HB VAL 95 HB VAL 95 -9.023 5.380 9.177 749 HG11 VAL 95 1HG1 VAL 95 -8.272 6.966 6.983 750 HG12 VAL 95 2HG1 VAL 95 -7.180 7.393 8.301 751 HG13 VAL 95 3HG1 VAL 95 -7.326 5.712 7.784 752 HG21 VAL 95 3HG2 VAL 95 -7.666 7.273 10.385 753 HG22 VAL 95 1HG2 VAL 95 -9.131 8.213 10.099 754 HG23 VAL 95 2HG2 VAL 95 -9.210 6.720 11.035 755 H MET 96 H MET 96 -11.121 4.479 7.787 756 HA MET 96 HA MET 96 -10.125 4.103 5.211 757 HB2 MET 96 1HB MET 96 -12.509 2.840 6.570 758 HB3 MET 96 2HB MET 96 -11.832 2.277 5.048 759 HG2 MET 96 1HG MET 96 -9.612 2.204 6.479 760 HG3 MET 96 2HG MET 96 -10.764 2.051 7.804 761 HE1 MET 96 3HE MET 96 -12.664 -0.199 7.816 762 HE2 MET 96 1HE MET 96 -11.479 -1.497 7.962 763 HE3 MET 96 2HE MET 96 -11.176 0.063 8.726 764 H ARG 97 H ARG 97 -13.359 5.151 6.252 765 HA ARG 97 HA ARG 97 -14.633 5.318 3.825 766 HB2 ARG 97 1HB ARG 97 -14.840 7.006 6.304 767 HB3 ARG 97 2HB ARG 97 -15.842 7.335 4.897 768 HG2 ARG 97 1HG ARG 97 -16.645 4.968 5.026 769 HG3 ARG 97 2HG ARG 97 -15.788 4.833 6.563 770 HD2 ARG 97 1HD ARG 97 -17.151 6.495 7.567 771 HD3 ARG 97 2HD ARG 97 -17.841 6.962 6.013 772 HE ARG 97 HE ARG 97 -18.374 4.234 6.608 773 HH11 ARG 97 1HH1 ARG 97 -19.357 7.487 7.363 774 HH12 ARG 97 2HH1 ARG 97 -20.975 7.038 7.791 775 HH21 ARG 97 1HH2 ARG 97 -20.501 3.630 7.169 776 HH22 ARG 97 2HH2 ARG 97 -21.624 4.844 7.681 777 H LYS 98 H LYS 98 -12.974 8.052 5.414 778 HA LYS 98 HA LYS 98 -13.114 9.892 3.387 779 HB2 LYS 98 1HB LYS 98 -10.836 9.413 5.316 780 HB3 LYS 98 2HB LYS 98 -11.006 10.855 4.323 781 HG2 LYS 98 1HG LYS 98 -12.781 11.654 5.542 782 HG3 LYS 98 2HG LYS 98 -13.246 10.052 6.116 783 HD2 LYS 98 1HD LYS 98 -10.978 10.099 7.360 784 HD3 LYS 98 2HD LYS 98 -11.043 11.841 7.081 785 HE2 LYS 98 1HE LYS 98 -13.259 10.274 8.389 786 HE3 LYS 98 2HE LYS 98 -11.967 11.069 9.287 787 HZ1 LYS 98 3HZ LYS 98 -12.842 13.093 8.925 788 HZ2 LYS 98 1HZ LYS 98 -14.282 12.235 8.694 789 HZ3 LYS 98 2HZ LYS 98 -13.367 12.726 7.359 790 H ILE 99 H ILE 99 -10.378 7.667 3.937 791 HA ILE 99 HA ILE 99 -8.773 8.227 1.835 792 HB ILE 99 HB ILE 99 -9.516 5.483 2.847 793 HG12 ILE 99 1HG1 ILE 99 -7.089 7.202 3.398 794 HG13 ILE 99 2HG1 ILE 99 -8.482 7.079 4.466 795 HG21 ILE 99 1HG2 ILE 99 -7.394 6.350 0.907 796 HG22 ILE 99 2HG2 ILE 99 -7.258 4.862 1.843 797 HG23 ILE 99 3HG2 ILE 99 -8.602 5.079 0.722 798 HD11 ILE 99 3HD1 ILE 99 -6.967 5.615 5.404 799 HD12 ILE 99 1HD1 ILE 99 -7.986 4.549 4.437 800 HD13 ILE 99 2HD1 ILE 99 -6.399 5.036 3.838 801 H ALA 100 H ALA 100 -11.401 5.817 1.646 802 HA ALA 100 HA ALA 100 -11.242 5.357 -1.098 803 HB1 ALA 100 3HB ALA 100 -12.553 3.781 -0.129 804 HB2 ALA 100 1HB ALA 100 -13.292 4.925 0.993 805 HB3 ALA 100 2HB ALA 100 -13.830 4.862 -0.687 806 H GLN 101 H GLN 101 -12.635 7.998 0.664 807 HA GLN 101 HA GLN 101 -14.152 8.963 -1.614 808 HB2 GLN 101 1HB GLN 101 -13.687 10.142 1.129 809 HB3 GLN 101 2HB GLN 101 -14.721 10.858 -0.100 810 HG2 GLN 101 1HG GLN 101 -15.827 8.452 -0.033 811 HG3 GLN 101 2HG GLN 101 -15.156 8.470 1.597 812 HE21 GLN 101 1HE2 GLN 101 -17.756 8.287 1.529 813 HE22 GLN 101 2HE2 GLN 101 -18.535 9.783 1.904 814 H CYS 102 H CYS 102 -11.267 8.707 -1.875 815 HA CYS 102 HA CYS 102 -9.364 9.944 -2.326 816 HB2 CYS 102 1HB CYS 102 -10.805 9.896 -4.393 817 HB3 CYS 102 2HB CYS 102 -11.378 11.501 -3.954 818 HG CYS 102 HG CYS 102 -9.602 12.520 -5.521 819 H ALA 103 H ALA 103 -10.383 10.823 0.103 820 HA ALA 103 HA ALA 103 -10.745 13.647 0.168 821 HB1 ALA 103 3HB ALA 103 -9.941 13.009 2.693 822 HB2 ALA 103 1HB ALA 103 -11.599 12.900 2.099 823 HB3 ALA 103 2HB ALA 103 -10.570 11.467 2.113 824 HA PRO 104 HA PRO 104 -6.573 15.030 -0.103 825 HB2 PRO 104 1HB PRO 104 -6.827 17.420 1.158 826 HB3 PRO 104 2HB PRO 104 -7.449 17.122 -0.469 827 HG2 PRO 104 1HG PRO 104 -8.906 17.114 2.146 828 HG3 PRO 104 2HG PRO 104 -9.402 17.808 0.591 829 HD2 PRO 104 1HD PRO 104 -10.330 15.427 1.486 830 HD3 PRO 104 2HD PRO 104 -10.095 15.772 -0.239 831 H GLY 105 H GLY 105 -4.727 14.891 1.073 832 HA2 GLY 105 1HA GLY 105 -3.416 14.217 2.849 833 HA3 GLY 105 2HA GLY 105 -4.213 15.557 3.661 834 H VAL 106 H VAL 106 -5.037 12.223 2.686 835 HA VAL 106 HA VAL 106 -5.936 11.741 5.445 836 HB VAL 106 HB VAL 106 -7.430 11.072 2.915 837 HG11 VAL 106 1HG1 VAL 106 -7.631 9.068 4.067 838 HG12 VAL 106 2HG1 VAL 106 -7.627 9.859 5.644 839 HG13 VAL 106 3HG1 VAL 106 -9.048 9.970 4.604 840 HG21 VAL 106 3HG2 VAL 106 -8.106 13.180 3.613 841 HG22 VAL 106 1HG2 VAL 106 -9.292 12.122 4.377 842 HG23 VAL 106 2HG2 VAL 106 -7.954 12.774 5.322 843 H VAL 107 H VAL 107 -5.627 9.946 2.374 844 HA VAL 107 HA VAL 107 -4.958 7.493 3.529 845 HB VAL 107 HB VAL 107 -5.678 7.693 1.200 846 HG11 VAL 107 1HG1 VAL 107 -3.900 9.749 1.019 847 HG12 VAL 107 2HG1 VAL 107 -3.051 8.464 0.158 848 HG13 VAL 107 3HG1 VAL 107 -4.666 8.954 -0.355 849 HG21 VAL 107 3HG2 VAL 107 -2.944 6.550 0.956 850 HG22 VAL 107 1HG2 VAL 107 -4.032 5.861 2.161 851 HG23 VAL 107 2HG2 VAL 107 -4.498 5.880 0.460 852 H GLU 108 H GLU 108 -2.971 10.249 2.676 853 HA GLU 108 HA GLU 108 -0.446 9.100 2.697 854 HB2 GLU 108 1HB GLU 108 -1.359 11.839 3.575 855 HB3 GLU 108 2HB GLU 108 0.335 11.381 3.468 856 HG2 GLU 108 1HG GLU 108 -0.394 12.603 1.494 857 HG3 GLU 108 2HG GLU 108 0.100 10.959 1.094 858 H LEU 109 H LEU 109 -2.343 10.370 5.414 859 HA LEU 109 HA LEU 109 -0.589 10.204 7.482 860 HB2 LEU 109 1HB LEU 109 -3.501 9.494 7.351 861 HB3 LEU 109 2HB LEU 109 -2.603 9.437 8.867 862 HG LEU 109 HG LEU 109 -2.568 11.957 7.273 863 HD11 LEU 109 1HD1 LEU 109 -4.948 10.733 8.475 864 HD12 LEU 109 2HD1 LEU 109 -4.811 12.004 7.262 865 HD13 LEU 109 3HD1 LEU 109 -4.634 12.396 8.972 866 HD21 LEU 109 3HD2 LEU 109 -1.176 11.736 9.267 867 HD22 LEU 109 1HD2 LEU 109 -2.603 11.348 10.228 868 HD23 LEU 109 2HD2 LEU 109 -2.437 12.947 9.501 869 H VAL 110 H VAL 110 -2.062 7.550 5.759 870 HA VAL 110 HA VAL 110 -1.001 5.591 7.643 871 HB VAL 110 HB VAL 110 -2.572 5.137 5.103 872 HG11 VAL 110 1HG1 VAL 110 -1.109 3.261 5.968 873 HG12 VAL 110 2HG1 VAL 110 -2.157 3.224 7.388 874 HG13 VAL 110 3HG1 VAL 110 -2.824 2.890 5.789 875 HG21 VAL 110 3HG2 VAL 110 -4.468 4.696 6.643 876 HG22 VAL 110 1HG2 VAL 110 -3.471 5.272 7.979 877 HG23 VAL 110 2HG2 VAL 110 -3.918 6.371 6.674 878 H LEU 111 H LEU 111 -0.354 6.925 4.495 879 HA LEU 111 HA LEU 111 1.398 4.872 3.592 880 HB2 LEU 111 1HB LEU 111 1.214 7.768 2.775 881 HB3 LEU 111 2HB LEU 111 2.108 6.518 1.912 882 HG LEU 111 HG LEU 111 -0.887 6.619 2.273 883 HD11 LEU 111 1HD1 LEU 111 -1.000 7.176 -0.044 884 HD12 LEU 111 2HD1 LEU 111 0.744 6.996 -0.231 885 HD13 LEU 111 3HD1 LEU 111 0.093 8.322 0.733 886 HD21 LEU 111 3HD2 LEU 111 -0.196 4.337 2.180 887 HD22 LEU 111 1HD2 LEU 111 0.911 4.667 0.847 888 HD23 LEU 111 2HD2 LEU 111 -0.831 4.768 0.591 889 H ILE 112 H ILE 112 1.830 7.854 5.405 890 HA ILE 112 HA ILE 112 4.603 8.085 5.282 891 HB ILE 112 HB ILE 112 2.517 9.010 7.177 892 HG12 ILE 112 1HG1 ILE 112 4.851 10.461 5.922 893 HG13 ILE 112 2HG1 ILE 112 3.300 10.245 5.119 894 HG21 ILE 112 1HG2 ILE 112 4.158 8.178 8.735 895 HG22 ILE 112 2HG2 ILE 112 5.452 8.998 7.862 896 HG23 ILE 112 3HG2 ILE 112 4.223 9.940 8.707 897 HD11 ILE 112 3HD1 ILE 112 3.635 12.453 6.238 898 HD12 ILE 112 1HD1 ILE 112 2.189 11.575 6.734 899 HD13 ILE 112 2HD1 ILE 112 3.608 11.600 7.781 900 HA PRO 113 HA PRO 113 4.875 5.399 9.292 901 HB2 PRO 113 1HB PRO 113 2.635 4.065 10.048 902 HB3 PRO 113 2HB PRO 113 3.012 5.701 10.602 903 HG2 PRO 113 1HG PRO 113 1.169 4.820 8.414 904 HG3 PRO 113 2HG PRO 113 0.922 6.067 9.650 905 HD2 PRO 113 1HD PRO 113 1.643 6.658 7.108 906 HD3 PRO 113 2HD PRO 113 2.162 7.632 8.499 907 H LEU 114 H LEU 114 2.992 4.407 6.543 908 HA LEU 114 HA LEU 114 3.102 1.656 6.674 909 HB2 LEU 114 1HB LEU 114 2.020 3.140 4.915 910 HB3 LEU 114 2HB LEU 114 3.602 3.194 4.141 911 HG LEU 114 HG LEU 114 3.514 0.720 3.914 912 HD11 LEU 114 1HD1 LEU 114 0.678 1.070 4.875 913 HD12 LEU 114 2HD1 LEU 114 1.974 0.249 5.743 914 HD13 LEU 114 3HD1 LEU 114 1.375 -0.413 4.222 915 HD21 LEU 114 3HD2 LEU 114 2.597 0.978 1.892 916 HD22 LEU 114 1HD2 LEU 114 2.350 2.659 2.362 917 HD23 LEU 114 2HD2 LEU 114 1.046 1.488 2.560 918 H ARG 115 H ARG 115 5.385 3.551 4.697 919 HA ARG 115 HA ARG 115 7.250 1.603 4.240 920 HB2 ARG 115 1HB ARG 115 8.874 3.381 3.872 921 HB3 ARG 115 2HB ARG 115 7.310 3.837 3.212 922 HG2 ARG 115 1HG ARG 115 6.960 5.050 5.457 923 HG3 ARG 115 2HG ARG 115 8.708 4.887 5.637 924 HD2 ARG 115 1HD ARG 115 8.913 5.949 3.354 925 HD3 ARG 115 2HD ARG 115 7.193 6.320 3.467 926 HE ARG 115 HE ARG 115 8.783 7.236 5.697 927 HH11 ARG 115 1HH1 ARG 115 7.470 7.994 2.563 928 HH12 ARG 115 2HH1 ARG 115 7.554 9.708 2.798 929 HH21 ARG 115 1HH2 ARG 115 8.899 9.492 6.018 930 HH22 ARG 115 2HH2 ARG 115 8.368 10.559 4.763 931 H GLN 116 H GLN 116 7.165 3.839 7.003 932 HA GLN 116 HA GLN 116 9.465 3.186 8.311 933 HB2 GLN 116 1HB GLN 116 6.725 3.796 9.401 934 HB3 GLN 116 2HB GLN 116 8.113 3.564 10.456 935 HG2 GLN 116 1HG GLN 116 9.266 5.389 9.190 936 HG3 GLN 116 2HG GLN 116 7.738 5.689 8.365 937 HE21 GLN 116 1HE2 GLN 116 8.758 7.744 9.672 938 HE22 GLN 116 2HE2 GLN 116 7.908 8.054 11.144 939 H ARG 117 H ARG 117 6.338 1.588 8.959 940 HA ARG 117 HA ARG 117 7.351 -0.447 10.574 941 HB2 ARG 117 1HB ARG 117 4.910 -0.420 8.792 942 HB3 ARG 117 2HB ARG 117 5.249 -1.672 9.979 943 HG2 ARG 117 1HG ARG 117 5.043 1.228 10.723 944 HG3 ARG 117 2HG ARG 117 3.640 0.159 10.664 945 HD2 ARG 117 1HD ARG 117 4.306 0.081 12.897 946 HD3 ARG 117 2HD ARG 117 5.000 -1.382 12.199 947 HE ARG 117 HE ARG 117 7.053 -0.573 12.746 948 HH11 ARG 117 1HH1 ARG 117 4.858 2.114 12.465 949 HH12 ARG 117 2HH1 ARG 117 6.030 3.292 12.953 950 HH21 ARG 117 1HH2 ARG 117 8.607 0.969 13.390 951 HH22 ARG 117 2HH2 ARG 117 8.163 2.640 13.478 952 H LEU 118 H LEU 118 6.624 -0.507 7.088 953 HA LEU 118 HA LEU 118 7.276 -3.094 6.478 954 HB2 LEU 118 1HB LEU 118 7.781 -0.570 4.922 955 HB3 LEU 118 2HB LEU 118 8.050 -2.178 4.253 956 HG LEU 118 HG LEU 118 5.370 -1.370 5.336 957 HD11 LEU 118 1HD1 LEU 118 4.969 -1.065 2.735 958 HD12 LEU 118 2HD1 LEU 118 6.661 -0.571 2.789 959 HD13 LEU 118 3HD1 LEU 118 5.464 0.275 3.770 960 HD21 LEU 118 3HD2 LEU 118 6.028 -3.776 4.812 961 HD22 LEU 118 1HD2 LEU 118 6.034 -3.283 3.118 962 HD23 LEU 118 2HD2 LEU 118 4.551 -3.165 4.065 963 H GLU 119 H GLU 119 9.489 -0.367 6.905 964 HA GLU 119 HA GLU 119 11.857 -1.558 6.089 965 HB2 GLU 119 1HB GLU 119 11.341 0.488 8.247 966 HB3 GLU 119 2HB GLU 119 12.955 0.024 7.729 967 HG2 GLU 119 1HG GLU 119 10.961 0.964 5.720 968 HG3 GLU 119 2HG GLU 119 11.825 2.128 6.723 969 H GLU 120 H GLU 120 10.401 -1.531 9.335 970 HA GLU 120 HA GLU 120 12.403 -3.061 10.587 971 HB2 GLU 120 1HB GLU 120 10.380 -1.674 11.558 972 HB3 GLU 120 2HB GLU 120 9.560 -3.228 11.492 973 HG2 GLU 120 1HG GLU 120 10.946 -4.180 13.074 974 HG3 GLU 120 2HG GLU 120 12.231 -3.003 12.804 975 H ARG 121 H ARG 121 9.507 -3.957 8.814 976 HA ARG 121 HA ARG 121 9.445 -6.682 9.526 977 HB2 ARG 121 1HB ARG 121 8.294 -5.041 7.316 978 HB3 ARG 121 2HB ARG 121 8.281 -6.791 7.147 979 HG2 ARG 121 1HG ARG 121 6.244 -6.434 8.119 980 HG3 ARG 121 2HG ARG 121 7.243 -6.713 9.547 981 HD2 ARG 121 1HD ARG 121 6.958 -3.931 8.529 982 HD3 ARG 121 2HD ARG 121 5.599 -4.653 9.389 983 HE ARG 121 HE ARG 121 7.972 -3.655 10.543 984 HH11 ARG 121 1HH1 ARG 121 5.723 -6.299 10.810 985 HH12 ARG 121 2HH1 ARG 121 6.019 -6.552 12.498 986 HH21 ARG 121 1HH2 ARG 121 8.370 -3.978 12.766 987 HH22 ARG 121 2HH2 ARG 121 7.524 -5.230 13.610 988 H GLN 122 H GLN 122 11.311 -4.897 7.186 989 HA GLN 122 HA GLN 122 12.112 -6.915 5.462 990 HB2 GLN 122 1HB GLN 122 12.669 -4.636 4.975 991 HB3 GLN 122 2HB GLN 122 13.605 -4.489 6.457 992 HG2 GLN 122 1HG GLN 122 15.239 -4.719 4.854 993 HG3 GLN 122 2HG GLN 122 15.059 -6.368 5.451 994 HE21 GLN 122 1HE2 GLN 122 16.223 -6.324 3.165 995 HE22 GLN 122 2HE2 GLN 122 15.172 -6.705 1.849 996 H ARG 123 H ARG 123 13.587 -5.905 8.533 997 HA ARG 123 HA ARG 123 15.437 -8.152 8.423 998 HB2 ARG 123 1HB ARG 123 16.424 -7.176 10.441 999 HB3 ARG 123 2HB ARG 123 16.288 -5.980 9.160 1000 HG2 ARG 123 1HG ARG 123 14.014 -5.434 10.363 1001 HG3 ARG 123 2HG ARG 123 14.834 -6.170 11.742 1002 HD2 ARG 123 1HD ARG 123 16.288 -4.124 10.142 1003 HD3 ARG 123 2HD ARG 123 15.021 -3.586 11.243 1004 HE ARG 123 HE ARG 123 16.972 -5.373 12.406 1005 HH11 ARG 123 1HH1 ARG 123 16.066 -2.071 11.775 1006 HH12 ARG 123 2HH1 ARG 123 17.036 -1.423 13.055 1007 HH21 ARG 123 1HH2 ARG 123 18.253 -4.531 14.095 1008 HH22 ARG 123 2HH2 ARG 123 18.281 -2.823 14.374 1009 H ARG 124 H ARG 124 12.787 -6.955 10.453 1010 HA ARG 124 HA ARG 124 11.385 -8.009 11.901 1011 HB2 ARG 124 1HB ARG 124 12.292 -10.207 10.123 1012 HB3 ARG 124 2HB ARG 124 11.532 -10.676 11.638 1013 HG2 ARG 124 1HG ARG 124 9.515 -9.579 11.077 1014 HG3 ARG 124 2HG ARG 124 10.267 -8.749 9.713 1015 HD2 ARG 124 1HD ARG 124 10.299 -11.722 9.746 1016 HD3 ARG 124 2HD ARG 124 8.776 -10.910 9.384 1017 HE ARG 124 HE ARG 124 10.443 -9.672 7.709 1018 HH11 ARG 124 1HH1 ARG 124 10.009 -13.052 8.421 1019 HH12 ARG 124 2HH1 ARG 124 10.472 -13.579 6.837 1020 HH21 ARG 124 1HH2 ARG 124 11.054 -10.354 5.620 1021 HH22 ARG 124 2HH2 ARG 124 11.067 -12.044 5.245 1022 H ARG 125 H ARG 125 13.700 -7.185 13.005 1023 HA ARG 125 HA ARG 125 15.071 -7.436 14.802 1024 HB2 ARG 125 1HB ARG 125 13.003 -9.544 15.418 1025 HB3 ARG 125 2HB ARG 125 14.310 -9.142 16.524 1026 HG2 ARG 125 1HG ARG 125 12.606 -7.843 17.336 1027 HG3 ARG 125 2HG ARG 125 13.418 -6.710 16.253 1028 HD2 ARG 125 1HD ARG 125 11.213 -6.420 15.652 1029 HD3 ARG 125 2HD ARG 125 11.739 -7.633 14.485 1030 HE ARG 125 HE ARG 125 10.374 -9.182 15.509 1031 HH11 ARG 125 1HH1 ARG 125 10.562 -6.294 17.444 1032 HH12 ARG 125 2HH1 ARG 125 9.269 -6.759 18.498 1033 HH21 ARG 125 1HH2 ARG 125 8.669 -9.806 16.891 1034 HH22 ARG 125 2HH2 ARG 125 8.193 -8.757 18.183 1035 H LYS 126 H LYS 126 15.936 -8.665 12.456 1036 HA LYS 126 HA LYS 126 17.567 -10.825 13.575 1037 HB2 LYS 126 1HB LYS 126 15.961 -10.960 11.027 1038 HB3 LYS 126 2HB LYS 126 17.335 -12.015 11.329 1039 HG2 LYS 126 1HG LYS 126 16.075 -12.587 13.528 1040 HG3 LYS 126 2HG LYS 126 14.671 -11.944 12.672 1041 HD2 LYS 126 1HD LYS 126 15.253 -13.520 10.787 1042 HD3 LYS 126 2HD LYS 126 16.421 -14.265 11.881 1043 HE2 LYS 126 1HE LYS 126 13.544 -13.925 12.659 1044 HE3 LYS 126 2HE LYS 126 14.077 -15.307 11.702 1045 HZ1 LYS 126 3HZ LYS 126 14.918 -14.569 14.445 1046 HZ2 LYS 126 1HZ LYS 126 15.744 -15.715 13.513 1047 HZ3 LYS 126 2HZ LYS 126 14.129 -15.979 13.943 1048 H GLN 127 H GLN 127 19.659 -10.514 13.183 1049 HA GLN 127 HA GLN 127 20.722 -8.289 11.972 1050 HB2 GLN 127 1HB GLN 127 21.806 -10.212 13.417 1051 HB3 GLN 127 2HB GLN 127 22.263 -10.845 11.841 1052 HG2 GLN 127 1HG GLN 127 22.859 -8.011 12.590 1053 HG3 GLN 127 2HG GLN 127 23.912 -9.330 13.100 1054 HE21 GLN 127 1HE2 GLN 127 24.902 -7.357 11.526 1055 HE22 GLN 127 2HE2 GLN 127 25.211 -7.960 9.936 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.506 32.300 14.703 2 HA2 GLY 1 1HA GLY 1 6.367 30.481 16.864 3 HA3 GLY 1 2HA GLY 1 7.168 30.621 15.306 4 H SER 2 H SER 2 6.218 32.746 18.010 5 HA SER 2 HA SER 2 8.689 34.265 17.613 6 HB2 SER 2 1HB SER 2 6.064 34.829 18.922 7 HB3 SER 2 2HB SER 2 7.489 35.690 19.503 8 HG SER 2 HG SER 2 6.228 35.802 17.004 9 H SER 3 H SER 3 10.047 32.585 18.476 10 HA SER 3 HA SER 3 10.545 32.917 21.269 11 HB2 SER 3 1HB SER 3 9.313 30.357 20.281 12 HB3 SER 3 2HB SER 3 10.387 30.361 21.679 13 HG SER 3 HG SER 3 7.884 31.620 21.362 14 H GLY 4 H GLY 4 12.456 31.639 21.982 15 HA2 GLY 4 1HA GLY 4 14.115 30.654 19.773 16 HA3 GLY 4 2HA GLY 4 14.727 31.989 20.738 17 H SER 5 H SER 5 13.628 28.631 20.916 18 HA SER 5 HA SER 5 15.582 28.190 23.058 19 HB2 SER 5 1HB SER 5 13.909 26.678 24.188 20 HB3 SER 5 2HB SER 5 13.510 28.394 24.254 21 HG SER 5 HG SER 5 11.822 26.755 23.586 22 H SER 6 H SER 6 15.901 25.783 23.438 23 HA SER 6 HA SER 6 16.882 24.550 21.196 24 HB2 SER 6 1HB SER 6 17.057 22.536 22.488 25 HB3 SER 6 2HB SER 6 17.297 23.887 23.595 26 HG SER 6 HG SER 6 15.660 21.990 23.990 27 H GLY 7 H GLY 7 16.140 22.379 20.296 28 HA2 GLY 7 1HA GLY 7 13.881 22.661 18.765 29 HA3 GLY 7 2HA GLY 7 14.586 21.104 19.175 30 H MET 8 H MET 8 11.947 21.134 18.781 31 HA MET 8 HA MET 8 10.907 20.148 21.203 32 HB2 MET 8 1HB MET 8 10.836 22.631 21.656 33 HB3 MET 8 2HB MET 8 9.659 22.763 20.356 34 HG2 MET 8 1HG MET 8 8.402 20.920 21.729 35 HG3 MET 8 2HG MET 8 9.378 21.549 23.055 36 HE1 MET 8 3HE MET 8 6.365 21.414 23.126 37 HE2 MET 8 1HE MET 8 7.042 22.382 24.435 38 HE3 MET 8 2HE MET 8 5.707 23.014 23.470 39 H ALA 9 H ALA 9 9.138 18.893 20.835 40 HA ALA 9 HA ALA 9 8.493 17.823 18.481 41 HB1 ALA 9 3HB ALA 9 7.480 17.463 20.877 42 HB2 ALA 9 1HB ALA 9 6.167 18.447 20.231 43 HB3 ALA 9 2HB ALA 9 6.609 16.936 19.437 44 H SER 10 H SER 10 7.039 18.141 16.782 45 HA SER 10 HA SER 10 5.600 20.666 16.623 46 HB2 SER 10 1HB SER 10 7.929 19.936 14.872 47 HB3 SER 10 2HB SER 10 6.633 20.956 14.249 48 HG SER 10 HG SER 10 8.213 21.463 16.554 49 H SER 11 H SER 11 4.074 20.741 14.865 50 HA SER 11 HA SER 11 2.973 18.125 14.303 51 HB2 SER 11 1HB SER 11 1.961 20.882 13.565 52 HB3 SER 11 2HB SER 11 1.066 19.376 13.365 53 HG SER 11 HG SER 11 1.241 19.112 15.664 54 H VAL 12 H VAL 12 1.944 17.939 11.990 55 HA VAL 12 HA VAL 12 4.097 17.706 10.165 56 HB VAL 12 HB VAL 12 1.125 17.517 9.652 57 HG11 VAL 12 1HG1 VAL 12 3.482 17.227 7.909 58 HG12 VAL 12 2HG1 VAL 12 2.266 15.955 7.774 59 HG13 VAL 12 3HG1 VAL 12 1.815 17.639 7.508 60 HG21 VAL 12 3HG2 VAL 12 2.257 15.928 11.330 61 HG22 VAL 12 1HG2 VAL 12 1.278 15.222 10.044 62 HG23 VAL 12 2HG2 VAL 12 3.037 15.220 9.916 63 H ASP 13 H ASP 13 4.604 18.862 8.332 64 HA ASP 13 HA ASP 13 3.108 21.339 7.833 65 HB2 ASP 13 1HB ASP 13 5.081 21.880 9.229 66 HB3 ASP 13 2HB ASP 13 6.124 21.166 8.002 67 H GLU 14 H GLU 14 3.920 22.383 5.725 68 HA GLU 14 HA GLU 14 3.390 20.717 3.594 69 HB2 GLU 14 1HB GLU 14 5.031 23.256 3.616 70 HB3 GLU 14 2HB GLU 14 4.403 22.486 2.166 71 HG2 GLU 14 1HG GLU 14 2.781 23.643 4.420 72 HG3 GLU 14 2HG GLU 14 2.998 24.337 2.815 73 H GLU 15 H GLU 15 6.544 21.649 4.916 74 HA GLU 15 HA GLU 15 8.142 20.378 2.994 75 HB2 GLU 15 1HB GLU 15 9.919 20.441 4.717 76 HB3 GLU 15 2HB GLU 15 9.088 21.980 4.540 77 HG2 GLU 15 1HG GLU 15 9.158 21.840 6.803 78 HG3 GLU 15 2HG GLU 15 7.620 21.031 6.507 79 H ALA 16 H ALA 16 6.935 19.207 6.125 80 HA ALA 16 HA ALA 16 8.135 16.746 6.258 81 HB1 ALA 16 3HB ALA 16 5.284 16.723 6.980 82 HB2 ALA 16 1HB ALA 16 6.706 16.317 7.942 83 HB3 ALA 16 2HB ALA 16 6.243 18.005 7.720 84 H LEU 17 H LEU 17 4.869 17.272 4.909 85 HA LEU 17 HA LEU 17 4.346 14.815 3.886 86 HB2 LEU 17 1HB LEU 17 3.785 17.480 2.599 87 HB3 LEU 17 2HB LEU 17 3.053 15.959 2.093 88 HG LEU 17 HG LEU 17 2.740 16.931 4.909 89 HD11 LEU 17 1HD1 LEU 17 0.428 17.627 3.502 90 HD12 LEU 17 2HD1 LEU 17 1.771 18.264 2.555 91 HD13 LEU 17 3HD1 LEU 17 1.597 18.714 4.251 92 HD21 LEU 17 3HD2 LEU 17 2.065 14.603 3.832 93 HD22 LEU 17 1HD2 LEU 17 0.645 15.528 3.344 94 HD23 LEU 17 2HD2 LEU 17 1.066 15.395 5.052 95 H HIS 18 H HIS 18 6.130 17.381 2.177 96 HA HIS 18 HA HIS 18 6.670 16.362 -0.225 97 HB2 HIS 18 1HB HIS 18 7.714 18.414 0.909 98 HB3 HIS 18 2HB HIS 18 8.972 17.316 1.469 99 HD1 HIS 18 1HD HIS 18 10.904 18.091 0.076 100 HD2 HIS 18 2HD HIS 18 7.507 17.334 -2.193 101 HE1 HIS 18 1HE HIS 18 11.645 18.262 -2.322 102 HE2 HIS 18 2HE HIS 18 9.554 17.885 -3.675 103 H GLN 19 H GLN 19 8.683 15.495 2.594 104 HA GLN 19 HA GLN 19 10.350 13.651 1.580 105 HB2 GLN 19 1HB GLN 19 8.853 13.695 4.174 106 HB3 GLN 19 2HB GLN 19 9.891 12.328 3.791 107 HG2 GLN 19 1HG GLN 19 11.130 13.879 5.111 108 HG3 GLN 19 2HG GLN 19 11.770 13.906 3.469 109 HE21 GLN 19 1HE2 GLN 19 11.371 15.705 2.157 110 HE22 GLN 19 2HE2 GLN 19 10.896 17.226 2.824 111 H LEU 20 H LEU 20 7.043 12.869 2.659 112 HA LEU 20 HA LEU 20 7.071 10.188 1.840 113 HB2 LEU 20 1HB LEU 20 5.356 10.718 3.292 114 HB3 LEU 20 2HB LEU 20 4.928 12.185 2.413 115 HG LEU 20 HG LEU 20 4.079 10.625 0.574 116 HD11 LEU 20 1HD1 LEU 20 5.210 8.689 2.200 117 HD12 LEU 20 2HD1 LEU 20 4.121 8.419 0.840 118 HD13 LEU 20 3HD1 LEU 20 3.476 8.530 2.477 119 HD21 LEU 20 3HD2 LEU 20 2.232 11.494 1.474 120 HD22 LEU 20 1HD2 LEU 20 2.894 11.418 3.107 121 HD23 LEU 20 2HD2 LEU 20 2.113 10.000 2.405 122 H TYR 21 H TYR 21 5.650 13.021 0.203 123 HA TYR 21 HA TYR 21 4.737 11.844 -2.092 124 HB2 TYR 21 1HB TYR 21 6.022 14.544 -1.688 125 HB3 TYR 21 2HB TYR 21 5.297 14.060 -3.217 126 HD1 TYR 21 2HD TYR 21 2.889 12.641 -2.375 127 HD2 TYR 21 1HD TYR 21 4.641 16.183 -0.797 128 HE1 TYR 21 2HE TYR 21 0.683 13.362 -1.561 129 HE2 TYR 21 1HE TYR 21 2.440 16.913 0.022 130 HH TYR 21 HH TYR 21 0.311 16.248 0.424 131 H LEU 22 H LEU 22 8.050 12.808 -1.344 132 HA LEU 22 HA LEU 22 9.131 12.260 -3.901 133 HB2 LEU 22 1HB LEU 22 10.543 12.182 -1.241 134 HB3 LEU 22 2HB LEU 22 11.291 12.370 -2.826 135 HG LEU 22 HG LEU 22 9.312 14.410 -1.926 136 HD11 LEU 22 1HD1 LEU 22 11.695 15.480 -1.134 137 HD12 LEU 22 2HD1 LEU 22 11.839 13.810 -0.587 138 HD13 LEU 22 3HD1 LEU 22 10.477 14.796 -0.057 139 HD21 LEU 22 3HD2 LEU 22 11.744 15.349 -3.136 140 HD22 LEU 22 1HD2 LEU 22 10.081 15.489 -3.707 141 HD23 LEU 22 2HD2 LEU 22 11.032 14.059 -4.107 142 H TRP 23 H TRP 23 9.307 10.384 -0.871 143 HA TRP 23 HA TRP 23 10.625 8.163 -1.651 144 HB2 TRP 23 1HB TRP 23 9.942 8.106 0.564 145 HB3 TRP 23 2HB TRP 23 8.279 8.531 0.171 146 HD1 TRP 23 HD TRP 23 10.596 5.494 -0.587 147 HE1 TRP 23 1HE TRP 23 9.206 3.351 -0.268 148 HE3 TRP 23 3HE TRP 23 6.116 7.613 0.668 149 HZ2 TRP 23 2HZ TRP 23 6.560 2.652 0.423 150 HZ3 TRP 23 3HZ TRP 23 4.205 6.137 1.142 151 HH2 TRP 23 HH TRP 23 4.424 3.708 1.021 152 H VAL 24 H VAL 24 7.236 8.888 -2.361 153 HA VAL 24 HA VAL 24 6.617 6.429 -3.601 154 HB VAL 24 HB VAL 24 5.366 9.123 -4.151 155 HG11 VAL 24 1HG1 VAL 24 4.943 7.092 -5.693 156 HG12 VAL 24 2HG1 VAL 24 3.993 6.469 -4.342 157 HG13 VAL 24 3HG1 VAL 24 3.562 8.007 -5.091 158 HG21 VAL 24 3HG2 VAL 24 4.528 7.043 -2.133 159 HG22 VAL 24 1HG2 VAL 24 5.408 8.521 -1.743 160 HG23 VAL 24 2HG2 VAL 24 3.779 8.615 -2.413 161 H ASP 25 H ASP 25 7.650 9.555 -4.939 162 HA ASP 25 HA ASP 25 7.548 8.925 -7.638 163 HB2 ASP 25 1HB ASP 25 7.943 11.184 -7.087 164 HB3 ASP 25 2HB ASP 25 9.322 10.783 -6.068 165 H ASN 26 H ASN 26 9.901 8.037 -5.219 166 HA ASN 26 HA ASN 26 12.001 7.256 -6.918 167 HB2 ASN 26 1HB ASN 26 11.229 6.253 -4.170 168 HB3 ASN 26 2HB ASN 26 12.744 5.863 -4.979 169 HD21 ASN 26 1HD2 ASN 26 10.843 8.401 -3.525 170 HD22 ASN 26 2HD2 ASN 26 12.147 9.509 -3.287 171 H ILE 27 H ILE 27 9.451 5.292 -5.385 172 HA ILE 27 HA ILE 27 10.152 2.876 -6.650 173 HB ILE 27 HB ILE 27 7.465 3.739 -5.575 174 HG12 ILE 27 1HG1 ILE 27 9.476 1.942 -4.233 175 HG13 ILE 27 2HG1 ILE 27 9.516 3.689 -4.022 176 HG21 ILE 27 1HG2 ILE 27 8.350 0.898 -5.844 177 HG22 ILE 27 2HG2 ILE 27 6.719 1.559 -5.737 178 HG23 ILE 27 3HG2 ILE 27 7.647 1.740 -7.226 179 HD11 ILE 27 3HD1 ILE 27 8.004 3.527 -2.426 180 HD12 ILE 27 1HD1 ILE 27 6.862 2.816 -3.565 181 HD13 ILE 27 2HD1 ILE 27 7.953 1.778 -2.647 182 HA PRO 28 HA PRO 28 8.687 3.527 -10.761 183 HB2 PRO 28 1HB PRO 28 8.536 0.929 -11.532 184 HB3 PRO 28 2HB PRO 28 10.069 1.791 -11.357 185 HG2 PRO 28 1HG PRO 28 8.730 -0.099 -9.460 186 HG3 PRO 28 2HG PRO 28 10.441 0.005 -9.916 187 HD2 PRO 28 1HD PRO 28 9.484 1.039 -7.603 188 HD3 PRO 28 2HD PRO 28 10.847 1.763 -8.482 189 H LEU 29 H LEU 29 6.634 4.278 -10.840 190 HA LEU 29 HA LEU 29 4.477 2.292 -10.694 191 HB2 LEU 29 1HB LEU 29 4.641 4.934 -9.293 192 HB3 LEU 29 2HB LEU 29 3.079 4.244 -9.730 193 HG LEU 29 HG LEU 29 5.112 2.881 -7.966 194 HD11 LEU 29 1HD1 LEU 29 3.949 3.616 -6.090 195 HD12 LEU 29 2HD1 LEU 29 2.546 4.116 -7.034 196 HD13 LEU 29 3HD1 LEU 29 4.038 5.053 -7.109 197 HD21 LEU 29 3HD2 LEU 29 3.057 1.531 -7.358 198 HD22 LEU 29 1HD2 LEU 29 3.733 1.247 -8.962 199 HD23 LEU 29 2HD2 LEU 29 2.288 2.241 -8.778 200 H SER 30 H SER 30 4.171 2.194 -12.879 201 HA SER 30 HA SER 30 4.185 4.395 -14.631 202 HB2 SER 30 1HB SER 30 3.054 1.612 -14.821 203 HB3 SER 30 2HB SER 30 2.822 2.780 -16.122 204 HG SER 30 HG SER 30 4.742 1.338 -16.212 205 H ARG 31 H ARG 31 2.913 5.924 -13.363 206 HA ARG 31 HA ARG 31 0.057 5.680 -13.996 207 HB2 ARG 31 1HB ARG 31 1.155 6.684 -11.364 208 HB3 ARG 31 2HB ARG 31 -0.541 6.643 -11.826 209 HG2 ARG 31 1HG ARG 31 0.982 4.097 -11.895 210 HG3 ARG 31 2HG ARG 31 0.543 4.767 -10.323 211 HD2 ARG 31 1HD ARG 31 -1.265 3.406 -10.816 212 HD3 ARG 31 2HD ARG 31 -1.821 4.992 -11.348 213 HE ARG 31 HE ARG 31 -0.683 3.876 -13.568 214 HH11 ARG 31 1HH1 ARG 31 -3.206 2.955 -11.353 215 HH12 ARG 31 2HH1 ARG 31 -4.098 2.058 -12.538 216 HH21 ARG 31 1HH2 ARG 31 -1.848 2.699 -15.136 217 HH22 ARG 31 2HH2 ARG 31 -3.324 1.913 -14.689 218 HA PRO 32 HA PRO 32 0.529 9.731 -15.643 219 HB2 PRO 32 1HB PRO 32 -2.045 10.582 -15.496 220 HB3 PRO 32 2HB PRO 32 -1.494 9.388 -16.678 221 HG2 PRO 32 1HG PRO 32 -2.904 8.962 -14.072 222 HG3 PRO 32 2HG PRO 32 -3.184 8.177 -15.637 223 HD2 PRO 32 1HD PRO 32 -1.780 6.996 -13.646 224 HD3 PRO 32 2HD PRO 32 -1.422 6.716 -15.362 225 H LYS 33 H LYS 33 -0.747 12.016 -15.061 226 HA LYS 33 HA LYS 33 -0.428 12.450 -12.172 227 HB2 LYS 33 1HB LYS 33 0.697 14.635 -12.721 228 HB3 LYS 33 2HB LYS 33 1.647 13.199 -13.078 229 HG2 LYS 33 1HG LYS 33 -0.018 14.342 -15.253 230 HG3 LYS 33 2HG LYS 33 1.451 15.201 -14.782 231 HD2 LYS 33 1HD LYS 33 1.372 12.270 -15.486 232 HD3 LYS 33 2HD LYS 33 1.747 13.548 -16.644 233 HE2 LYS 33 1HE LYS 33 3.487 14.225 -14.762 234 HE3 LYS 33 2HE LYS 33 3.343 12.514 -14.360 235 HZ1 LYS 33 3HZ LYS 33 3.710 12.239 -16.912 236 HZ2 LYS 33 1HZ LYS 33 5.030 12.474 -15.880 237 HZ3 LYS 33 2HZ LYS 33 4.422 13.769 -16.782 238 H ARG 34 H ARG 34 -2.882 12.124 -13.134 239 HA ARG 34 HA ARG 34 -3.971 14.782 -13.721 240 HB2 ARG 34 1HB ARG 34 -4.942 11.988 -14.125 241 HB3 ARG 34 2HB ARG 34 -6.133 13.267 -13.929 242 HG2 ARG 34 1HG ARG 34 -5.831 13.055 -16.238 243 HG3 ARG 34 2HG ARG 34 -4.906 14.488 -15.785 244 HD2 ARG 34 1HD ARG 34 -2.852 13.309 -15.908 245 HD3 ARG 34 2HD ARG 34 -3.675 11.753 -16.014 246 HE ARG 34 HE ARG 34 -3.063 13.502 -18.166 247 HH11 ARG 34 1HH1 ARG 34 -5.453 11.244 -17.024 248 HH12 ARG 34 2HH1 ARG 34 -6.007 10.827 -18.612 249 HH21 ARG 34 1HH2 ARG 34 -3.784 12.962 -20.262 250 HH22 ARG 34 2HH2 ARG 34 -5.057 11.805 -20.453 251 H ASN 35 H ASN 35 -4.101 12.170 -11.370 252 HA ASN 35 HA ASN 35 -5.089 13.999 -9.365 253 HB2 ASN 35 1HB ASN 35 -6.715 11.584 -10.188 254 HB3 ASN 35 2HB ASN 35 -7.001 12.530 -8.731 255 HD21 ASN 35 1HD2 ASN 35 -7.518 14.805 -9.019 256 HD22 ASN 35 2HD2 ASN 35 -8.399 15.291 -10.423 257 H LEU 36 H LEU 36 -3.669 13.650 -7.792 258 HA LEU 36 HA LEU 36 -2.320 11.153 -7.446 259 HB2 LEU 36 1HB LEU 36 -1.214 13.259 -6.962 260 HB3 LEU 36 2HB LEU 36 -2.405 13.617 -5.712 261 HG LEU 36 HG LEU 36 -0.691 11.174 -5.492 262 HD11 LEU 36 1HD1 LEU 36 1.088 12.571 -5.664 263 HD12 LEU 36 2HD1 LEU 36 0.689 12.862 -3.971 264 HD13 LEU 36 3HD1 LEU 36 0.157 13.998 -5.210 265 HD21 LEU 36 3HD2 LEU 36 -1.876 11.004 -3.621 266 HD22 LEU 36 1HD2 LEU 36 -2.613 12.586 -3.878 267 HD23 LEU 36 2HD2 LEU 36 -1.066 12.460 -3.041 268 H SER 37 H SER 37 -4.376 13.011 -5.195 269 HA SER 37 HA SER 37 -4.728 11.183 -3.220 270 HB2 SER 37 1HB SER 37 -5.709 13.499 -3.305 271 HB3 SER 37 2HB SER 37 -6.995 12.855 -4.326 272 HG SER 37 HG SER 37 -6.459 12.374 -1.612 273 H ARG 38 H ARG 38 -6.690 11.388 -6.183 274 HA ARG 38 HA ARG 38 -8.353 9.198 -5.635 275 HB2 ARG 38 1HB ARG 38 -8.913 10.793 -7.368 276 HB3 ARG 38 2HB ARG 38 -7.470 10.367 -8.277 277 HG2 ARG 38 1HG ARG 38 -8.333 8.272 -8.881 278 HG3 ARG 38 2HG ARG 38 -9.606 8.355 -7.661 279 HD2 ARG 38 1HD ARG 38 -10.638 8.782 -9.752 280 HD3 ARG 38 2HD ARG 38 -10.527 10.331 -8.916 281 HE ARG 38 HE ARG 38 -9.096 11.075 -10.547 282 HH11 ARG 38 1HH1 ARG 38 -9.430 7.618 -10.790 283 HH12 ARG 38 2HH1 ARG 38 -8.584 7.511 -12.298 284 HH21 ARG 38 1HH2 ARG 38 -7.981 10.947 -12.533 285 HH22 ARG 38 2HH2 ARG 38 -7.759 9.406 -13.288 286 H ASP 39 H ASP 39 -5.608 9.303 -7.916 287 HA ASP 39 HA ASP 39 -5.354 6.750 -8.669 288 HB2 ASP 39 1HB ASP 39 -3.756 8.687 -9.125 289 HB3 ASP 39 2HB ASP 39 -2.941 8.232 -7.631 290 H PHE 40 H PHE 40 -4.323 7.990 -5.515 291 HA PHE 40 HA PHE 40 -3.383 5.441 -4.604 292 HB2 PHE 40 1HB PHE 40 -3.706 8.155 -3.422 293 HB3 PHE 40 2HB PHE 40 -3.612 6.790 -2.314 294 HD1 PHE 40 1HD PHE 40 -1.612 5.222 -2.538 295 HD2 PHE 40 2HD PHE 40 -1.778 9.080 -4.328 296 HE1 PHE 40 1HE PHE 40 0.841 5.235 -2.727 297 HE2 PHE 40 2HE PHE 40 0.675 9.099 -4.522 298 HZ PHE 40 HZ PHE 40 1.987 7.175 -3.722 299 H SER 41 H SER 41 -6.319 7.352 -4.170 300 HA SER 41 HA SER 41 -7.627 6.055 -2.176 301 HB2 SER 41 1HB SER 41 -8.961 6.810 -4.783 302 HB3 SER 41 2HB SER 41 -9.707 6.726 -3.187 303 HG SER 41 HG SER 41 -9.166 8.876 -3.811 304 H ASP 42 H ASP 42 -6.790 4.774 -5.268 305 HA ASP 42 HA ASP 42 -8.631 2.556 -5.147 306 HB2 ASP 42 1HB ASP 42 -6.246 2.981 -6.960 307 HB3 ASP 42 2HB ASP 42 -7.519 1.783 -7.179 308 H GLY 43 H GLY 43 -8.210 1.392 -3.297 309 HA2 GLY 43 1HA GLY 43 -5.889 0.733 -2.071 310 HA3 GLY 43 2HA GLY 43 -7.233 -0.393 -2.199 311 H VAL 44 H VAL 44 -7.074 -0.653 -5.078 312 HA VAL 44 HA VAL 44 -5.428 -2.866 -5.311 313 HB VAL 44 HB VAL 44 -6.285 -1.009 -7.536 314 HG11 VAL 44 1HG1 VAL 44 -6.161 -3.347 -8.749 315 HG12 VAL 44 2HG1 VAL 44 -4.734 -2.321 -8.589 316 HG13 VAL 44 3HG1 VAL 44 -4.972 -3.679 -7.489 317 HG21 VAL 44 3HG2 VAL 44 -7.791 -3.414 -7.437 318 HG22 VAL 44 1HG2 VAL 44 -7.803 -2.692 -5.828 319 HG23 VAL 44 2HG2 VAL 44 -8.352 -1.756 -7.218 320 H LEU 45 H LEU 45 -4.778 0.447 -6.453 321 HA LEU 45 HA LEU 45 -2.207 -0.032 -7.444 322 HB2 LEU 45 1HB LEU 45 -3.291 1.973 -8.058 323 HB3 LEU 45 2HB LEU 45 -3.539 2.440 -6.376 324 HG LEU 45 HG LEU 45 -1.101 2.796 -6.154 325 HD11 LEU 45 1HD1 LEU 45 -0.253 3.068 -8.777 326 HD12 LEU 45 2HD1 LEU 45 -1.110 1.527 -8.754 327 HD13 LEU 45 3HD1 LEU 45 0.226 1.809 -7.638 328 HD21 LEU 45 3HD2 LEU 45 -2.465 4.705 -6.609 329 HD22 LEU 45 1HD2 LEU 45 -2.536 4.312 -8.327 330 HD23 LEU 45 2HD2 LEU 45 -1.013 4.829 -7.603 331 H VAL 46 H VAL 46 -3.321 0.827 -4.210 332 HA VAL 46 HA VAL 46 -0.876 1.401 -3.010 333 HB VAL 46 HB VAL 46 -3.307 0.083 -1.795 334 HG11 VAL 46 1HG1 VAL 46 -1.250 -0.293 -0.475 335 HG12 VAL 46 2HG1 VAL 46 -1.015 1.454 -0.393 336 HG13 VAL 46 3HG1 VAL 46 -2.429 0.716 0.361 337 HG21 VAL 46 3HG2 VAL 46 -3.634 2.336 -2.812 338 HG22 VAL 46 1HG2 VAL 46 -3.933 2.282 -1.075 339 HG23 VAL 46 2HG2 VAL 46 -2.428 2.965 -1.690 340 H ALA 47 H ALA 47 -2.321 -1.664 -3.852 341 HA ALA 47 HA ALA 47 -0.708 -3.339 -2.255 342 HB1 ALA 47 3HB ALA 47 -2.858 -3.882 -3.585 343 HB2 ALA 47 1HB ALA 47 -1.755 -4.192 -4.926 344 HB3 ALA 47 2HB ALA 47 -1.612 -5.120 -3.432 345 H GLU 48 H GLU 48 -0.304 -2.060 -5.528 346 HA GLU 48 HA GLU 48 1.916 -3.527 -6.324 347 HB2 GLU 48 1HB GLU 48 1.038 -0.719 -6.974 348 HB3 GLU 48 2HB GLU 48 2.459 -1.446 -7.712 349 HG2 GLU 48 1HG GLU 48 1.092 -3.218 -8.652 350 HG3 GLU 48 2HG GLU 48 -0.339 -2.545 -7.872 351 H VAL 49 H VAL 49 1.788 -0.460 -4.538 352 HA VAL 49 HA VAL 49 4.470 0.134 -4.371 353 HB VAL 49 HB VAL 49 2.518 0.465 -2.091 354 HG11 VAL 49 1HG1 VAL 49 4.941 0.895 -1.643 355 HG12 VAL 49 2HG1 VAL 49 4.879 2.171 -2.860 356 HG13 VAL 49 3HG1 VAL 49 3.892 2.291 -1.403 357 HG21 VAL 49 3HG2 VAL 49 2.825 1.947 -4.667 358 HG22 VAL 49 1HG2 VAL 49 1.357 1.458 -3.820 359 HG23 VAL 49 2HG2 VAL 49 2.316 2.810 -3.215 360 H ILE 50 H ILE 50 2.638 -2.256 -2.569 361 HA ILE 50 HA ILE 50 4.721 -2.834 -0.694 362 HB ILE 50 HB ILE 50 2.355 -4.552 -1.450 363 HG12 ILE 50 1HG1 ILE 50 2.562 -2.663 0.894 364 HG13 ILE 50 2HG1 ILE 50 1.850 -2.187 -0.644 365 HG21 ILE 50 1HG2 ILE 50 4.435 -4.694 0.668 366 HG22 ILE 50 2HG2 ILE 50 2.795 -5.201 1.070 367 HG23 ILE 50 3HG2 ILE 50 3.662 -5.988 -0.248 368 HD11 ILE 50 3HD1 ILE 50 0.455 -4.420 -0.194 369 HD12 ILE 50 1HD1 ILE 50 0.800 -3.950 1.471 370 HD13 ILE 50 2HD1 ILE 50 -0.040 -2.833 0.394 371 H LYS 51 H LYS 51 3.765 -4.065 -3.829 372 HA LYS 51 HA LYS 51 5.024 -6.494 -3.958 373 HB2 LYS 51 1HB LYS 51 3.703 -5.598 -5.799 374 HB3 LYS 51 2HB LYS 51 4.917 -4.361 -6.099 375 HG2 LYS 51 1HG LYS 51 5.500 -5.853 -7.705 376 HG3 LYS 51 2HG LYS 51 6.484 -6.469 -6.376 377 HD2 LYS 51 1HD LYS 51 5.061 -8.267 -5.991 378 HD3 LYS 51 2HD LYS 51 3.701 -7.490 -6.805 379 HE2 LYS 51 1HE LYS 51 4.539 -7.967 -8.922 380 HE3 LYS 51 2HE LYS 51 6.179 -8.213 -8.324 381 HZ1 LYS 51 3HZ LYS 51 5.160 -10.309 -8.905 382 HZ2 LYS 51 1HZ LYS 51 3.865 -10.015 -7.857 383 HZ3 LYS 51 2HZ LYS 51 5.420 -10.246 -7.235 384 H PHE 52 H PHE 52 6.495 -3.304 -4.477 385 HA PHE 52 HA PHE 52 9.049 -4.086 -5.189 386 HB2 PHE 52 1HB PHE 52 8.258 -1.748 -5.214 387 HB3 PHE 52 2HB PHE 52 8.292 -1.725 -3.454 388 HD1 PHE 52 2HD PHE 52 10.468 -1.898 -2.267 389 HD2 PHE 52 1HD PHE 52 10.215 -1.416 -6.489 390 HE1 PHE 52 2HE PHE 52 12.820 -1.177 -2.322 391 HE2 PHE 52 1HE PHE 52 12.567 -0.696 -6.551 392 HZ PHE 52 HZ PHE 52 13.872 -0.574 -4.466 393 H TYR 53 H TYR 53 7.547 -4.013 -2.028 394 HA TYR 53 HA TYR 53 10.044 -4.631 -0.678 395 HB2 TYR 53 1HB TYR 53 7.231 -4.408 0.413 396 HB3 TYR 53 2HB TYR 53 8.693 -4.582 1.378 397 HD1 TYR 53 2HD TYR 53 6.766 -2.308 -0.778 398 HD2 TYR 53 1HD TYR 53 10.157 -2.714 1.761 399 HE1 TYR 53 2HE TYR 53 7.019 0.138 -0.734 400 HE2 TYR 53 1HE TYR 53 10.418 -0.269 1.813 401 HH TYR 53 HH TYR 53 9.798 1.679 0.424 402 H PHE 54 H PHE 54 6.821 -6.141 -0.495 403 HA PHE 54 HA PHE 54 8.155 -8.767 -0.564 404 HB2 PHE 54 1HB PHE 54 5.651 -8.055 0.976 405 HB3 PHE 54 2HB PHE 54 6.463 -9.617 0.968 406 HD1 PHE 54 1HD PHE 54 8.739 -9.815 1.978 407 HD2 PHE 54 2HD PHE 54 6.339 -6.327 2.414 408 HE1 PHE 54 1HE PHE 54 10.115 -9.112 3.893 409 HE2 PHE 54 2HE PHE 54 7.712 -5.617 4.329 410 HZ PHE 54 HZ PHE 54 9.603 -7.010 5.070 411 HA PRO 55 HA PRO 55 5.586 -9.205 -4.190 412 HB2 PRO 55 1HB PRO 55 6.491 -11.677 -4.852 413 HB3 PRO 55 2HB PRO 55 7.407 -10.201 -5.176 414 HG2 PRO 55 1HG PRO 55 7.711 -12.164 -2.937 415 HG3 PRO 55 2HG PRO 55 8.965 -11.373 -3.910 416 HD2 PRO 55 1HD PRO 55 8.303 -10.531 -1.423 417 HD3 PRO 55 2HD PRO 55 8.855 -9.419 -2.692 418 H LYS 56 H LYS 56 5.592 -11.064 -1.314 419 HA LYS 56 HA LYS 56 3.334 -12.712 -2.164 420 HB2 LYS 56 1HB LYS 56 3.626 -13.897 -0.068 421 HB3 LYS 56 2HB LYS 56 5.175 -13.761 -0.890 422 HG2 LYS 56 1HG LYS 56 5.564 -11.706 0.586 423 HG3 LYS 56 2HG LYS 56 4.210 -12.308 1.546 424 HD2 LYS 56 1HD LYS 56 6.406 -14.194 0.846 425 HD3 LYS 56 2HD LYS 56 6.701 -12.987 2.100 426 HE2 LYS 56 1HE LYS 56 4.404 -13.827 3.027 427 HE3 LYS 56 2HE LYS 56 4.762 -15.259 2.063 428 HZ1 LYS 56 3HZ LYS 56 6.839 -15.512 3.254 429 HZ2 LYS 56 1HZ LYS 56 5.545 -15.482 4.344 430 HZ3 LYS 56 2HZ LYS 56 6.528 -14.118 4.161 431 H MET 57 H MET 57 4.150 -10.357 0.374 432 HA MET 57 HA MET 57 1.782 -10.201 1.730 433 HB2 MET 57 1HB MET 57 3.556 -7.884 0.938 434 HB3 MET 57 2HB MET 57 2.350 -7.848 2.217 435 HG2 MET 57 1HG MET 57 4.633 -9.793 2.219 436 HG3 MET 57 2HG MET 57 4.762 -8.177 2.909 437 HE1 MET 57 3HE MET 57 3.326 -7.211 4.429 438 HE2 MET 57 1HE MET 57 2.041 -7.965 5.373 439 HE3 MET 57 2HE MET 57 3.704 -8.008 5.957 440 H VAL 58 H VAL 58 2.544 -8.843 -1.421 441 HA VAL 58 HA VAL 58 0.448 -7.103 -1.814 442 HB VAL 58 HB VAL 58 1.661 -8.995 -3.832 443 HG11 VAL 58 1HG1 VAL 58 0.858 -7.294 -5.490 444 HG12 VAL 58 2HG1 VAL 58 -0.418 -8.236 -4.716 445 HG13 VAL 58 3HG1 VAL 58 -0.102 -6.581 -4.194 446 HG21 VAL 58 3HG2 VAL 58 3.463 -7.704 -3.675 447 HG22 VAL 58 1HG2 VAL 58 2.494 -6.341 -4.235 448 HG23 VAL 58 2HG2 VAL 58 2.656 -6.657 -2.507 449 H GLU 59 H GLU 59 0.447 -10.499 -2.917 450 HA GLU 59 HA GLU 59 -1.239 -11.995 -3.229 451 HB2 GLU 59 1HB GLU 59 -2.156 -10.413 -0.873 452 HB3 GLU 59 2HB GLU 59 -3.300 -11.513 -1.630 453 HG2 GLU 59 1HG GLU 59 -1.931 -13.390 -1.189 454 HG3 GLU 59 2HG GLU 59 -0.568 -12.372 -0.730 455 H MET 60 H MET 60 -1.179 -10.135 -5.158 456 HA MET 60 HA MET 60 -3.780 -8.910 -5.484 457 HB2 MET 60 1HB MET 60 -1.196 -8.875 -6.955 458 HB3 MET 60 2HB MET 60 -2.653 -8.533 -7.879 459 HG2 MET 60 1HG MET 60 -1.952 -7.088 -5.342 460 HG3 MET 60 2HG MET 60 -1.432 -6.546 -6.936 461 HE1 MET 60 3HE MET 60 -3.330 -6.053 -4.293 462 HE2 MET 60 1HE MET 60 -4.171 -4.635 -4.920 463 HE3 MET 60 2HE MET 60 -5.061 -6.129 -4.625 464 H HIS 61 H HIS 61 -4.569 -11.310 -5.212 465 HA HIS 61 HA HIS 61 -4.884 -12.441 -7.916 466 HB2 HIS 61 1HB HIS 61 -4.518 -13.771 -5.256 467 HB3 HIS 61 2HB HIS 61 -5.429 -14.595 -6.518 468 HD1 HIS 61 1HD HIS 61 -2.075 -14.156 -5.293 469 HD2 HIS 61 2HD HIS 61 -3.811 -14.853 -9.003 470 HE1 HIS 61 1HE HIS 61 -0.220 -15.026 -6.750 471 HE2 HIS 61 2HE HIS 61 -1.274 -15.360 -9.013 472 H ASN 62 H ASN 62 -6.444 -11.903 -4.783 473 HA ASN 62 HA ASN 62 -9.051 -12.577 -5.868 474 HB2 ASN 62 1HB ASN 62 -8.694 -11.349 -3.164 475 HB3 ASN 62 2HB ASN 62 -9.825 -12.593 -3.687 476 HD21 ASN 62 1HD2 ASN 62 -6.498 -11.937 -2.821 477 HD22 ASN 62 2HD2 ASN 62 -6.081 -13.565 -2.424 478 H TYR 63 H TYR 63 -7.511 -9.720 -4.397 479 HA TYR 63 HA TYR 63 -9.499 -7.874 -4.595 480 HB2 TYR 63 1HB TYR 63 -6.625 -7.316 -5.348 481 HB3 TYR 63 2HB TYR 63 -7.799 -6.162 -4.725 482 HD1 TYR 63 2HD TYR 63 -8.795 -6.740 -2.365 483 HD2 TYR 63 1HD TYR 63 -5.142 -8.315 -3.876 484 HE1 TYR 63 2HE TYR 63 -8.061 -7.226 -0.069 485 HE2 TYR 63 1HE TYR 63 -4.399 -8.806 -1.583 486 HH TYR 63 HH TYR 63 -6.007 -7.587 1.171 487 H VAL 64 H VAL 64 -10.246 -6.415 -6.142 488 HA VAL 64 HA VAL 64 -9.362 -6.758 -8.905 489 HB VAL 64 HB VAL 64 -12.215 -7.161 -8.004 490 HG11 VAL 64 1HG1 VAL 64 -12.953 -6.492 -9.989 491 HG12 VAL 64 2HG1 VAL 64 -11.327 -5.913 -10.354 492 HG13 VAL 64 3HG1 VAL 64 -11.808 -7.545 -10.818 493 HG21 VAL 64 3HG2 VAL 64 -11.302 -9.249 -7.855 494 HG22 VAL 64 1HG2 VAL 64 -11.733 -9.243 -9.565 495 HG23 VAL 64 2HG2 VAL 64 -10.071 -8.919 -9.074 496 HA PRO 65 HA PRO 65 -9.834 -2.356 -8.713 497 HB2 PRO 65 1HB PRO 65 -9.359 -1.863 -11.340 498 HB3 PRO 65 2HB PRO 65 -8.078 -2.267 -10.192 499 HG2 PRO 65 1HG PRO 65 -9.479 -4.029 -12.165 500 HG3 PRO 65 2HG PRO 65 -7.753 -3.944 -11.770 501 HD2 PRO 65 1HD PRO 65 -9.381 -5.867 -10.778 502 HD3 PRO 65 2HD PRO 65 -7.995 -5.228 -9.871 503 H ALA 66 H ALA 66 -11.917 -1.776 -8.365 504 HA ALA 66 HA ALA 66 -13.896 -2.217 -10.479 505 HB1 ALA 66 3HB ALA 66 -14.600 -2.948 -8.307 506 HB2 ALA 66 1HB ALA 66 -14.208 -1.380 -7.601 507 HB3 ALA 66 2HB ALA 66 -15.541 -1.523 -8.747 508 H ASN 67 H ASN 67 -15.482 -0.414 -10.843 509 HA ASN 67 HA ASN 67 -13.998 2.095 -11.150 510 HB2 ASN 67 1HB ASN 67 -16.588 1.249 -12.467 511 HB3 ASN 67 2HB ASN 67 -15.624 2.669 -12.865 512 HD21 ASN 67 1HD2 ASN 67 -16.430 -0.175 -14.028 513 HD22 ASN 67 2HD2 ASN 67 -14.981 -0.629 -14.852 514 H SER 68 H SER 68 -17.002 0.773 -9.870 515 HA SER 68 HA SER 68 -18.166 3.238 -9.119 516 HB2 SER 68 1HB SER 68 -19.235 0.868 -9.303 517 HB3 SER 68 2HB SER 68 -18.696 0.681 -7.634 518 HG SER 68 HG SER 68 -20.174 2.943 -8.439 519 H LEU 69 H LEU 69 -18.813 3.294 -6.564 520 HA LEU 69 HA LEU 69 -16.260 3.784 -5.241 521 HB2 LEU 69 1HB LEU 69 -18.254 5.424 -5.380 522 HB3 LEU 69 2HB LEU 69 -18.952 4.435 -4.100 523 HG LEU 69 HG LEU 69 -17.746 6.552 -3.392 524 HD11 LEU 69 1HD1 LEU 69 -18.314 4.845 -1.795 525 HD12 LEU 69 2HD1 LEU 69 -16.689 5.438 -1.452 526 HD13 LEU 69 3HD1 LEU 69 -16.909 3.887 -2.261 527 HD21 LEU 69 3HD2 LEU 69 -15.477 6.759 -3.548 528 HD22 LEU 69 1HD2 LEU 69 -15.796 5.863 -5.034 529 HD23 LEU 69 2HD2 LEU 69 -15.209 5.016 -3.603 530 H GLN 70 H GLN 70 -19.402 2.586 -4.054 531 HA GLN 70 HA GLN 70 -18.752 1.380 -1.770 532 HB2 GLN 70 1HB GLN 70 -20.948 1.276 -3.230 533 HB3 GLN 70 2HB GLN 70 -20.323 -0.307 -3.669 534 HG2 GLN 70 1HG GLN 70 -20.460 0.416 -0.790 535 HG3 GLN 70 2HG GLN 70 -21.953 0.012 -1.637 536 HE21 GLN 70 1HE2 GLN 70 -19.430 -1.206 0.113 537 HE22 GLN 70 2HE2 GLN 70 -19.554 -2.870 -0.335 538 H GLN 71 H GLN 71 -18.415 -0.291 -4.903 539 HA GLN 71 HA GLN 71 -17.341 -2.660 -4.144 540 HB2 GLN 71 1HB GLN 71 -17.707 -1.548 -6.520 541 HB3 GLN 71 2HB GLN 71 -15.978 -1.251 -6.394 542 HG2 GLN 71 1HG GLN 71 -17.309 -3.943 -6.178 543 HG3 GLN 71 2HG GLN 71 -16.480 -3.315 -7.602 544 HE21 GLN 71 1HE2 GLN 71 -15.979 -5.662 -5.833 545 HE22 GLN 71 2HE2 GLN 71 -14.327 -5.510 -5.353 546 H LYS 72 H LYS 72 -15.285 0.124 -5.016 547 HA LYS 72 HA LYS 72 -12.850 -0.818 -4.255 548 HB2 LYS 72 1HB LYS 72 -13.801 1.991 -3.677 549 HB3 LYS 72 2HB LYS 72 -12.142 1.470 -3.936 550 HG2 LYS 72 1HG LYS 72 -14.354 1.476 -5.978 551 HG3 LYS 72 2HG LYS 72 -12.984 2.587 -5.902 552 HD2 LYS 72 1HD LYS 72 -12.688 -0.397 -6.203 553 HD3 LYS 72 2HD LYS 72 -12.766 0.715 -7.572 554 HE2 LYS 72 1HE LYS 72 -10.711 0.715 -5.364 555 HE3 LYS 72 2HE LYS 72 -10.457 0.211 -7.035 556 HZ1 LYS 72 3HZ LYS 72 -11.468 2.744 -7.225 557 HZ2 LYS 72 1HZ LYS 72 -9.846 2.298 -7.412 558 HZ3 LYS 72 2HZ LYS 72 -10.408 2.833 -5.909 559 H LEU 73 H LEU 73 -15.062 0.976 -2.107 560 HA LEU 73 HA LEU 73 -13.663 0.931 0.228 561 HB2 LEU 73 1HB LEU 73 -16.567 0.753 -0.396 562 HB3 LEU 73 2HB LEU 73 -16.050 0.520 1.273 563 HG LEU 73 HG LEU 73 -15.495 2.978 -0.388 564 HD11 LEU 73 1HD1 LEU 73 -17.146 3.460 1.877 565 HD12 LEU 73 2HD1 LEU 73 -17.865 2.164 0.921 566 HD13 LEU 73 3HD1 LEU 73 -17.505 3.719 0.170 567 HD21 LEU 73 3HD2 LEU 73 -14.925 3.914 1.885 568 HD22 LEU 73 1HD2 LEU 73 -13.779 2.746 1.225 569 HD23 LEU 73 2HD2 LEU 73 -14.920 2.252 2.475 570 H SER 74 H SER 74 -15.595 -1.707 -1.124 571 HA SER 74 HA SER 74 -15.478 -3.489 1.004 572 HB2 SER 74 1HB SER 74 -16.817 -3.741 -1.130 573 HB3 SER 74 2HB SER 74 -15.333 -4.290 -1.908 574 HG SER 74 HG SER 74 -15.958 -5.546 0.472 575 H ASN 75 H ASN 75 -13.324 -3.413 -1.842 576 HA ASN 75 HA ASN 75 -11.540 -5.361 -1.138 577 HB2 ASN 75 1HB ASN 75 -11.065 -2.734 -2.547 578 HB3 ASN 75 2HB ASN 75 -9.817 -3.967 -2.393 579 HD21 ASN 75 1HD2 ASN 75 -10.325 -3.362 -4.853 580 HD22 ASN 75 2HD2 ASN 75 -11.321 -4.531 -5.644 581 H TRP 76 H TRP 76 -11.163 -1.897 -0.367 582 HA TRP 76 HA TRP 76 -8.887 -1.932 1.113 583 HB2 TRP 76 1HB TRP 76 -11.389 -0.321 1.287 584 HB3 TRP 76 2HB TRP 76 -10.220 -0.169 2.596 585 HD1 TRP 76 HD TRP 76 -10.858 0.901 -0.955 586 HE1 TRP 76 1HE TRP 76 -8.949 2.433 -1.749 587 HE3 TRP 76 3HE TRP 76 -7.583 0.184 2.905 588 HZ2 TRP 76 2HZ TRP 76 -6.392 3.232 -0.858 589 HZ3 TRP 76 3HZ TRP 76 -5.427 1.369 2.858 590 HH2 TRP 76 HH TRP 76 -4.846 2.860 1.014 591 H GLY 77 H GLY 77 -12.147 -2.421 2.490 592 HA2 GLY 77 1HA GLY 77 -11.533 -2.926 5.097 593 HA3 GLY 77 2HA GLY 77 -12.823 -3.759 4.243 594 H HIS 78 H HIS 78 -11.169 -5.168 2.395 595 HA HIS 78 HA HIS 78 -10.462 -7.396 4.040 596 HB2 HIS 78 1HB HIS 78 -11.352 -7.281 1.548 597 HB3 HIS 78 2HB HIS 78 -9.631 -7.246 1.175 598 HD1 HIS 78 1HD HIS 78 -9.943 -9.600 0.047 599 HD2 HIS 78 2HD HIS 78 -10.638 -9.506 4.142 600 HE1 HIS 78 1HE HIS 78 -9.937 -12.004 0.785 601 HE2 HIS 78 2HE HIS 78 -10.445 -11.927 3.251 602 H LEU 79 H LEU 79 -8.660 -4.990 2.182 603 HA LEU 79 HA LEU 79 -6.102 -6.114 2.532 604 HB2 LEU 79 1HB LEU 79 -6.944 -4.191 0.988 605 HB3 LEU 79 2HB LEU 79 -6.532 -3.161 2.357 606 HG LEU 79 HG LEU 79 -4.208 -4.335 2.185 607 HD11 LEU 79 1HD1 LEU 79 -5.499 -4.967 -0.440 608 HD12 LEU 79 2HD1 LEU 79 -4.520 -6.000 0.601 609 HD13 LEU 79 3HD1 LEU 79 -3.758 -4.709 -0.328 610 HD21 LEU 79 3HD2 LEU 79 -5.253 -1.934 1.310 611 HD22 LEU 79 1HD2 LEU 79 -4.408 -2.561 -0.105 612 HD23 LEU 79 2HD2 LEU 79 -3.542 -2.352 1.417 613 H ASN 80 H ASN 80 -8.188 -4.590 4.731 614 HA ASN 80 HA ASN 80 -6.133 -3.568 6.480 615 HB2 ASN 80 1HB ASN 80 -8.396 -2.525 6.300 616 HB3 ASN 80 2HB ASN 80 -9.077 -3.967 7.048 617 HD21 ASN 80 1HD2 ASN 80 -9.728 -1.927 8.396 618 HD22 ASN 80 2HD2 ASN 80 -8.743 -1.651 9.788 619 H ARG 81 H ARG 81 -7.962 -6.498 6.102 620 HA ARG 81 HA ARG 81 -6.834 -7.538 8.614 621 HB2 ARG 81 1HB ARG 81 -9.282 -8.291 7.035 622 HB3 ARG 81 2HB ARG 81 -8.587 -9.384 8.224 623 HG2 ARG 81 1HG ARG 81 -8.830 -7.569 9.921 624 HG3 ARG 81 2HG ARG 81 -9.710 -6.637 8.708 625 HD2 ARG 81 1HD ARG 81 -11.223 -7.843 10.217 626 HD3 ARG 81 2HD ARG 81 -11.387 -8.383 8.547 627 HE ARG 81 HE ARG 81 -9.567 -10.090 9.709 628 HH11 ARG 81 1HH1 ARG 81 -12.877 -9.166 10.264 629 HH12 ARG 81 2HH1 ARG 81 -13.330 -10.700 10.931 630 HH21 ARG 81 1HH2 ARG 81 -10.150 -12.113 10.585 631 HH22 ARG 81 2HH2 ARG 81 -11.778 -12.375 11.114 632 H LYS 82 H LYS 82 -6.334 -7.538 5.345 633 HA LYS 82 HA LYS 82 -5.243 -10.269 5.319 634 HB2 LYS 82 1HB LYS 82 -6.236 -8.427 3.179 635 HB3 LYS 82 2HB LYS 82 -5.041 -9.651 2.769 636 HG2 LYS 82 1HG LYS 82 -7.546 -10.397 4.222 637 HG3 LYS 82 2HG LYS 82 -7.543 -10.188 2.470 638 HD2 LYS 82 1HD LYS 82 -5.453 -11.770 2.601 639 HD3 LYS 82 2HD LYS 82 -6.168 -12.240 4.145 640 HE2 LYS 82 1HE LYS 82 -7.904 -12.149 1.726 641 HE3 LYS 82 2HE LYS 82 -6.782 -13.495 1.911 642 HZ1 LYS 82 3HZ LYS 82 -7.949 -14.349 3.620 643 HZ2 LYS 82 1HZ LYS 82 -9.230 -13.487 2.929 644 HZ3 LYS 82 2HZ LYS 82 -8.386 -12.839 4.244 645 H VAL 83 H VAL 83 -4.448 -6.886 4.748 646 HA VAL 83 HA VAL 83 -1.605 -7.634 4.543 647 HB VAL 83 HB VAL 83 -3.006 -5.145 3.557 648 HG11 VAL 83 1HG1 VAL 83 -0.850 -4.452 2.677 649 HG12 VAL 83 2HG1 VAL 83 -0.762 -4.648 4.428 650 HG13 VAL 83 3HG1 VAL 83 -0.087 -5.884 3.366 651 HG21 VAL 83 3HG2 VAL 83 -1.781 -7.511 2.154 652 HG22 VAL 83 1HG2 VAL 83 -3.450 -6.946 2.079 653 HG23 VAL 83 2HG2 VAL 83 -2.163 -5.996 1.337 654 H LEU 84 H LEU 84 -3.251 -4.606 5.415 655 HA LEU 84 HA LEU 84 -1.529 -3.498 7.121 656 HB2 LEU 84 1HB LEU 84 -4.483 -3.762 7.663 657 HB3 LEU 84 2HB LEU 84 -3.411 -2.570 8.395 658 HG LEU 84 HG LEU 84 -4.085 -2.743 5.458 659 HD11 LEU 84 1HD1 LEU 84 -5.929 -1.614 5.940 660 HD12 LEU 84 2HD1 LEU 84 -4.941 -0.324 6.624 661 HD13 LEU 84 3HD1 LEU 84 -5.524 -1.629 7.656 662 HD21 LEU 84 3HD2 LEU 84 -2.159 -1.153 7.038 663 HD22 LEU 84 1HD2 LEU 84 -3.090 -0.282 5.819 664 HD23 LEU 84 2HD2 LEU 84 -2.100 -1.664 5.350 665 H LYS 85 H LYS 85 -3.872 -5.981 8.135 666 HA LYS 85 HA LYS 85 -3.324 -6.227 10.781 667 HB2 LYS 85 1HB LYS 85 -4.821 -7.656 9.126 668 HB3 LYS 85 2HB LYS 85 -3.455 -8.761 9.208 669 HG2 LYS 85 1HG LYS 85 -3.711 -8.533 11.763 670 HG3 LYS 85 2HG LYS 85 -5.314 -7.897 11.386 671 HD2 LYS 85 1HD LYS 85 -5.829 -10.112 11.576 672 HD3 LYS 85 2HD LYS 85 -5.409 -10.064 9.863 673 HE2 LYS 85 1HE LYS 85 -3.237 -10.574 11.828 674 HE3 LYS 85 2HE LYS 85 -4.387 -11.872 11.508 675 HZ1 LYS 85 3HZ LYS 85 -2.644 -10.498 9.541 676 HZ2 LYS 85 1HZ LYS 85 -3.882 -11.566 9.108 677 HZ3 LYS 85 2HZ LYS 85 -2.570 -12.118 10.022 678 H ARG 86 H ARG 86 -1.573 -8.004 8.229 679 HA ARG 86 HA ARG 86 0.340 -9.182 9.876 680 HB2 ARG 86 1HB ARG 86 0.656 -8.303 6.999 681 HB3 ARG 86 2HB ARG 86 1.685 -9.456 7.838 682 HG2 ARG 86 1HG ARG 86 -1.240 -9.982 7.708 683 HG3 ARG 86 2HG ARG 86 -0.253 -10.258 6.271 684 HD2 ARG 86 1HD ARG 86 0.158 -11.478 8.999 685 HD3 ARG 86 2HD ARG 86 -0.450 -12.301 7.563 686 HE ARG 86 HE ARG 86 2.073 -11.186 7.007 687 HH11 ARG 86 1HH1 ARG 86 0.599 -13.750 8.844 688 HH12 ARG 86 2HH1 ARG 86 1.995 -14.775 8.780 689 HH21 ARG 86 1HH2 ARG 86 3.917 -12.526 6.915 690 HH22 ARG 86 2HH2 ARG 86 3.882 -14.077 7.683 691 H LEU 87 H LEU 87 0.065 -5.933 8.725 692 HA LEU 87 HA LEU 87 2.805 -5.307 9.551 693 HB2 LEU 87 1HB LEU 87 0.750 -3.595 8.159 694 HB3 LEU 87 2HB LEU 87 2.413 -3.126 8.509 695 HG LEU 87 HG LEU 87 1.826 -5.512 6.792 696 HD11 LEU 87 1HD1 LEU 87 0.566 -3.826 5.707 697 HD12 LEU 87 2HD1 LEU 87 2.098 -3.944 4.843 698 HD13 LEU 87 3HD1 LEU 87 1.823 -2.617 5.972 699 HD21 LEU 87 3HD2 LEU 87 4.014 -4.896 5.834 700 HD22 LEU 87 1HD2 LEU 87 4.102 -5.239 7.562 701 HD23 LEU 87 2HD2 LEU 87 4.126 -3.570 6.993 702 H ASN 88 H ASN 88 0.463 -5.901 11.356 703 HA ASN 88 HA ASN 88 -0.542 -5.089 13.243 704 HB2 ASN 88 1HB ASN 88 2.266 -4.061 13.300 705 HB3 ASN 88 2HB ASN 88 1.146 -3.535 14.553 706 HD21 ASN 88 1HD2 ASN 88 2.754 -4.663 15.902 707 HD22 ASN 88 2HD2 ASN 88 2.549 -6.358 16.165 708 H PHE 89 H PHE 89 -1.118 -3.599 10.844 709 HA PHE 89 HA PHE 89 -1.460 -0.886 11.937 710 HB2 PHE 89 1HB PHE 89 -0.199 -1.328 9.696 711 HB3 PHE 89 2HB PHE 89 -1.814 -1.553 9.033 712 HD1 PHE 89 2HD PHE 89 -3.419 0.316 9.023 713 HD2 PHE 89 1HD PHE 89 0.621 0.829 10.261 714 HE1 PHE 89 2HE PHE 89 -3.652 2.751 8.763 715 HE2 PHE 89 1HE PHE 89 0.394 3.265 10.004 716 HZ PHE 89 HZ PHE 89 -1.745 4.229 9.253 717 H SER 90 H SER 90 -3.465 -0.001 12.089 718 HA SER 90 HA SER 90 -5.741 -1.550 11.068 719 HB2 SER 90 1HB SER 90 -5.192 -1.882 13.598 720 HB3 SER 90 2HB SER 90 -5.889 -0.272 13.782 721 HG SER 90 HG SER 90 -7.797 -1.104 13.528 722 H VAL 91 H VAL 91 -7.571 -0.355 10.536 723 HA VAL 91 HA VAL 91 -7.475 2.546 10.883 724 HB VAL 91 HB VAL 91 -7.469 1.132 8.237 725 HG11 VAL 91 1HG1 VAL 91 -8.244 3.215 7.176 726 HG12 VAL 91 2HG1 VAL 91 -9.480 2.488 8.205 727 HG13 VAL 91 3HG1 VAL 91 -8.571 3.889 8.772 728 HG21 VAL 91 3HG2 VAL 91 -5.602 2.626 9.670 729 HG22 VAL 91 1HG2 VAL 91 -5.497 2.130 7.981 730 HG23 VAL 91 2HG2 VAL 91 -6.170 3.706 8.396 731 HA PRO 92 HA PRO 92 -11.758 1.801 11.706 732 HB2 PRO 92 1HB PRO 92 -12.548 4.397 11.789 733 HB3 PRO 92 2HB PRO 92 -11.639 3.627 13.095 734 HG2 PRO 92 1HG PRO 92 -10.657 5.402 10.894 735 HG3 PRO 92 2HG PRO 92 -10.227 5.410 12.615 736 HD2 PRO 92 1HD PRO 92 -8.649 4.285 10.724 737 HD3 PRO 92 2HD PRO 92 -8.747 3.658 12.382 738 H ASP 93 H ASP 93 -13.906 2.963 10.859 739 HA ASP 93 HA ASP 93 -13.923 2.489 8.006 740 HB2 ASP 93 1HB ASP 93 -15.711 1.759 9.738 741 HB3 ASP 93 2HB ASP 93 -16.297 3.415 9.600 742 H ASP 94 H ASP 94 -14.833 5.176 10.158 743 HA ASP 94 HA ASP 94 -15.650 7.073 8.411 744 HB2 ASP 94 1HB ASP 94 -14.251 8.697 9.961 745 HB3 ASP 94 2HB ASP 94 -15.662 7.843 10.579 746 H VAL 95 H VAL 95 -12.295 6.139 9.022 747 HA VAL 95 HA VAL 95 -11.123 8.114 7.359 748 HB VAL 95 HB VAL 95 -10.088 5.480 8.395 749 HG11 VAL 95 1HG1 VAL 95 -7.829 6.477 7.664 750 HG12 VAL 95 2HG1 VAL 95 -8.843 5.712 6.439 751 HG13 VAL 95 3HG1 VAL 95 -8.790 7.470 6.569 752 HG21 VAL 95 3HG2 VAL 95 -10.402 7.210 10.070 753 HG22 VAL 95 1HG2 VAL 95 -8.682 6.932 9.796 754 HG23 VAL 95 2HG2 VAL 95 -9.468 8.348 9.099 755 H MET 96 H MET 96 -11.741 4.642 6.832 756 HA MET 96 HA MET 96 -10.808 4.397 4.257 757 HB2 MET 96 1HB MET 96 -13.166 3.070 5.592 758 HB3 MET 96 2HB MET 96 -12.576 2.599 4.004 759 HG2 MET 96 1HG MET 96 -10.284 2.431 5.322 760 HG3 MET 96 2HG MET 96 -11.380 2.180 6.679 761 HE1 MET 96 3HE MET 96 -11.075 -1.212 6.839 762 HE2 MET 96 1HE MET 96 -11.602 0.338 7.497 763 HE3 MET 96 2HE MET 96 -12.777 -0.752 6.761 764 H ARG 97 H ARG 97 -13.963 5.580 5.333 765 HA ARG 97 HA ARG 97 -15.200 5.794 2.838 766 HB2 ARG 97 1HB ARG 97 -15.548 7.390 5.375 767 HB3 ARG 97 2HB ARG 97 -16.573 7.607 3.962 768 HG2 ARG 97 1HG ARG 97 -16.976 5.060 4.162 769 HG3 ARG 97 2HG ARG 97 -16.372 5.267 5.807 770 HD2 ARG 97 1HD ARG 97 -18.760 5.443 5.855 771 HD3 ARG 97 2HD ARG 97 -18.081 7.045 6.141 772 HE ARG 97 HE ARG 97 -18.738 6.498 3.387 773 HH11 ARG 97 1HH1 ARG 97 -19.872 7.724 6.442 774 HH12 ARG 97 2HH1 ARG 97 -21.128 8.688 5.737 775 HH21 ARG 97 1HH2 ARG 97 -20.387 7.763 2.447 776 HH22 ARG 97 2HH2 ARG 97 -21.420 8.709 3.465 777 H LYS 98 H LYS 98 -13.055 8.015 4.543 778 HA LYS 98 HA LYS 98 -13.339 10.170 2.716 779 HB2 LYS 98 1HB LYS 98 -11.225 9.489 4.758 780 HB3 LYS 98 2HB LYS 98 -11.165 10.950 3.780 781 HG2 LYS 98 1HG LYS 98 -13.015 11.878 4.818 782 HG3 LYS 98 2HG LYS 98 -13.596 10.316 5.400 783 HD2 LYS 98 1HD LYS 98 -11.636 10.207 6.917 784 HD3 LYS 98 2HD LYS 98 -11.179 11.828 6.389 785 HE2 LYS 98 1HE LYS 98 -13.337 12.680 7.204 786 HE3 LYS 98 2HE LYS 98 -13.753 11.061 7.764 787 HZ1 LYS 98 3HZ LYS 98 -11.582 12.813 8.765 788 HZ2 LYS 98 1HZ LYS 98 -11.708 11.176 9.172 789 HZ3 LYS 98 2HZ LYS 98 -12.933 12.254 9.615 790 H ILE 99 H ILE 99 -10.740 7.770 3.163 791 HA ILE 99 HA ILE 99 -9.011 8.466 1.188 792 HB ILE 99 HB ILE 99 -9.880 5.647 1.838 793 HG12 ILE 99 1HG1 ILE 99 -7.616 7.332 2.931 794 HG13 ILE 99 2HG1 ILE 99 -9.091 6.911 3.794 795 HG21 ILE 99 1HG2 ILE 99 -8.351 6.421 -0.284 796 HG22 ILE 99 2HG2 ILE 99 -7.131 6.115 0.952 797 HG23 ILE 99 3HG2 ILE 99 -8.268 4.845 0.503 798 HD11 ILE 99 3HD1 ILE 99 -8.244 4.970 4.438 799 HD12 ILE 99 1HD1 ILE 99 -7.754 4.560 2.794 800 HD13 ILE 99 2HD1 ILE 99 -6.692 5.531 3.815 801 H ALA 100 H ALA 100 -11.587 6.050 0.662 802 HA ALA 100 HA ALA 100 -11.353 5.928 -2.110 803 HB1 ALA 100 3HB ALA 100 -12.728 4.247 -1.617 804 HB2 ALA 100 1HB ALA 100 -13.230 5.003 -0.105 805 HB3 ALA 100 2HB ALA 100 -14.032 5.434 -1.616 806 H GLN 101 H GLN 101 -12.616 8.416 -0.149 807 HA GLN 101 HA GLN 101 -14.262 9.541 -2.273 808 HB2 GLN 101 1HB GLN 101 -13.855 10.116 0.626 809 HB3 GLN 101 2HB GLN 101 -14.429 11.417 -0.408 810 HG2 GLN 101 1HG GLN 101 -15.785 8.760 -0.466 811 HG3 GLN 101 2HG GLN 101 -16.125 9.902 0.834 812 HE21 GLN 101 1HE2 GLN 101 -18.112 9.097 -0.849 813 HE22 GLN 101 2HE2 GLN 101 -18.589 10.409 -1.866 814 H CYS 102 H CYS 102 -11.153 9.357 -2.061 815 HA CYS 102 HA CYS 102 -9.367 10.582 -2.752 816 HB2 CYS 102 1HB CYS 102 -11.396 12.480 -3.938 817 HB3 CYS 102 2HB CYS 102 -9.733 12.232 -4.457 818 HG CYS 102 HG CYS 102 -10.902 9.314 -4.742 819 H ALA 103 H ALA 103 -9.915 11.015 -0.167 820 HA ALA 103 HA ALA 103 -10.012 13.897 0.294 821 HB1 ALA 103 3HB ALA 103 -10.593 13.452 2.464 822 HB2 ALA 103 1HB ALA 103 -11.235 12.017 1.664 823 HB3 ALA 103 2HB ALA 103 -9.691 11.938 2.513 824 HA PRO 104 HA PRO 104 -5.544 13.934 0.324 825 HB2 PRO 104 1HB PRO 104 -5.311 16.598 0.792 826 HB3 PRO 104 2HB PRO 104 -5.701 15.933 -0.798 827 HG2 PRO 104 1HG PRO 104 -7.527 17.099 1.267 828 HG3 PRO 104 2HG PRO 104 -7.525 17.342 -0.489 829 HD2 PRO 104 1HD PRO 104 -9.242 15.651 0.746 830 HD3 PRO 104 2HD PRO 104 -8.622 15.355 -0.891 831 H GLY 105 H GLY 105 -4.011 13.862 1.909 832 HA2 GLY 105 1HA GLY 105 -3.046 14.172 4.003 833 HA3 GLY 105 2HA GLY 105 -4.471 15.076 4.495 834 H VAL 106 H VAL 106 -5.968 12.577 3.337 835 HA VAL 106 HA VAL 106 -6.187 11.270 5.909 836 HB VAL 106 HB VAL 106 -7.641 10.721 3.318 837 HG11 VAL 106 1HG1 VAL 106 -7.476 8.821 4.987 838 HG12 VAL 106 2HG1 VAL 106 -8.439 9.823 6.075 839 HG13 VAL 106 3HG1 VAL 106 -9.103 9.315 4.522 840 HG21 VAL 106 3HG2 VAL 106 -8.193 12.912 4.089 841 HG22 VAL 106 1HG2 VAL 106 -9.536 11.848 4.507 842 HG23 VAL 106 2HG2 VAL 106 -8.383 12.343 5.747 843 H VAL 107 H VAL 107 -6.051 9.829 2.658 844 HA VAL 107 HA VAL 107 -5.134 7.341 3.400 845 HB VAL 107 HB VAL 107 -5.926 7.848 1.138 846 HG11 VAL 107 1HG1 VAL 107 -3.273 8.992 0.403 847 HG12 VAL 107 2HG1 VAL 107 -4.846 9.201 -0.371 848 HG13 VAL 107 3HG1 VAL 107 -4.486 10.040 1.138 849 HG21 VAL 107 3HG2 VAL 107 -4.018 6.654 -0.107 850 HG22 VAL 107 1HG2 VAL 107 -3.221 6.598 1.465 851 HG23 VAL 107 2HG2 VAL 107 -4.785 5.815 1.240 852 H GLU 108 H GLU 108 -3.259 10.251 2.699 853 HA GLU 108 HA GLU 108 -0.705 9.202 2.619 854 HB2 GLU 108 1HB GLU 108 -1.842 11.834 3.433 855 HB3 GLU 108 2HB GLU 108 -0.155 11.513 3.810 856 HG2 GLU 108 1HG GLU 108 -0.313 12.682 1.718 857 HG3 GLU 108 2HG GLU 108 0.266 11.041 1.437 858 H LEU 109 H LEU 109 -2.541 10.264 5.471 859 HA LEU 109 HA LEU 109 -0.708 9.944 7.461 860 HB2 LEU 109 1HB LEU 109 -3.642 9.334 7.380 861 HB3 LEU 109 2HB LEU 109 -2.704 9.109 8.855 862 HG LEU 109 HG LEU 109 -2.815 11.746 7.415 863 HD11 LEU 109 1HD1 LEU 109 -4.998 11.780 7.927 864 HD12 LEU 109 2HD1 LEU 109 -4.429 12.074 9.570 865 HD13 LEU 109 3HD1 LEU 109 -4.859 10.440 9.064 866 HD21 LEU 109 3HD2 LEU 109 -1.909 10.785 10.103 867 HD22 LEU 109 1HD2 LEU 109 -2.376 12.467 9.853 868 HD23 LEU 109 2HD2 LEU 109 -1.047 11.774 8.923 869 H VAL 110 H VAL 110 -2.111 7.472 5.502 870 HA VAL 110 HA VAL 110 -1.224 5.334 7.274 871 HB VAL 110 HB VAL 110 -2.594 5.183 4.585 872 HG11 VAL 110 1HG1 VAL 110 -1.307 3.186 4.981 873 HG12 VAL 110 2HG1 VAL 110 -1.962 3.042 6.613 874 HG13 VAL 110 3HG1 VAL 110 -3.016 2.824 5.215 875 HG21 VAL 110 3HG2 VAL 110 -3.577 5.628 7.279 876 HG22 VAL 110 1HG2 VAL 110 -4.415 5.767 5.733 877 HG23 VAL 110 2HG2 VAL 110 -4.297 4.201 6.535 878 H LEU 111 H LEU 111 -0.279 6.955 4.346 879 HA LEU 111 HA LEU 111 1.545 4.971 3.424 880 HB2 LEU 111 1HB LEU 111 1.324 7.918 2.840 881 HB3 LEU 111 2HB LEU 111 2.441 6.830 2.019 882 HG LEU 111 HG LEU 111 -0.561 6.548 1.958 883 HD11 LEU 111 1HD1 LEU 111 1.341 8.054 0.233 884 HD12 LEU 111 2HD1 LEU 111 -0.299 8.465 0.734 885 HD13 LEU 111 3HD1 LEU 111 -0.038 7.248 -0.516 886 HD21 LEU 111 3HD2 LEU 111 1.512 4.760 1.310 887 HD22 LEU 111 1HD2 LEU 111 0.856 5.348 -0.218 888 HD23 LEU 111 2HD2 LEU 111 -0.211 4.595 0.967 889 H ILE 112 H ILE 112 1.851 7.873 5.414 890 HA ILE 112 HA ILE 112 4.588 8.108 5.595 891 HB ILE 112 HB ILE 112 2.345 8.772 7.419 892 HG12 ILE 112 1HG1 ILE 112 4.716 10.453 6.626 893 HG13 ILE 112 2HG1 ILE 112 3.354 10.208 5.537 894 HG21 ILE 112 1HG2 ILE 112 4.197 9.687 9.014 895 HG22 ILE 112 2HG2 ILE 112 3.659 8.014 9.150 896 HG23 ILE 112 3HG2 ILE 112 5.165 8.389 8.314 897 HD11 ILE 112 3HD1 ILE 112 3.351 11.549 8.222 898 HD12 ILE 112 1HD1 ILE 112 2.997 12.259 6.648 899 HD13 ILE 112 2HD1 ILE 112 1.879 11.098 7.363 900 HA PRO 113 HA PRO 113 4.635 4.986 9.285 901 HB2 PRO 113 1HB PRO 113 2.384 3.527 9.707 902 HB3 PRO 113 2HB PRO 113 2.670 5.096 10.471 903 HG2 PRO 113 1HG PRO 113 1.025 4.436 8.058 904 HG3 PRO 113 2HG PRO 113 0.649 5.526 9.405 905 HD2 PRO 113 1HD PRO 113 1.543 6.422 7.011 906 HD3 PRO 113 2HD PRO 113 1.926 7.239 8.540 907 H LEU 114 H LEU 114 2.529 3.974 6.607 908 HA LEU 114 HA LEU 114 2.953 1.323 6.408 909 HB2 LEU 114 1HB LEU 114 1.638 2.610 4.806 910 HB3 LEU 114 2HB LEU 114 3.116 3.286 4.125 911 HG LEU 114 HG LEU 114 3.742 0.883 3.533 912 HD11 LEU 114 1HD1 LEU 114 1.040 0.520 4.647 913 HD12 LEU 114 2HD1 LEU 114 2.387 -0.612 4.533 914 HD13 LEU 114 3HD1 LEU 114 1.366 -0.314 3.127 915 HD21 LEU 114 3HD2 LEU 114 2.181 0.921 1.537 916 HD22 LEU 114 1HD2 LEU 114 3.167 2.361 1.788 917 HD23 LEU 114 2HD2 LEU 114 1.465 2.368 2.248 918 H ARG 115 H ARG 115 5.172 3.751 5.030 919 HA ARG 115 HA ARG 115 7.128 1.968 4.145 920 HB2 ARG 115 1HB ARG 115 7.434 4.093 3.307 921 HB3 ARG 115 2HB ARG 115 7.091 4.866 4.848 922 HG2 ARG 115 1HG ARG 115 9.237 4.686 5.579 923 HG3 ARG 115 2HG ARG 115 9.547 3.218 4.650 924 HD2 ARG 115 1HD ARG 115 9.034 5.716 3.136 925 HD3 ARG 115 2HD ARG 115 10.575 5.583 3.982 926 HE ARG 115 HE ARG 115 9.870 3.319 2.323 927 HH11 ARG 115 1HH1 ARG 115 11.538 6.366 2.546 928 HH12 ARG 115 2HH1 ARG 115 12.600 6.031 1.219 929 HH21 ARG 115 1HH2 ARG 115 11.262 2.865 0.574 930 HH22 ARG 115 2HH2 ARG 115 12.441 4.040 0.097 931 H GLN 116 H GLN 116 7.191 3.934 7.125 932 HA GLN 116 HA GLN 116 9.430 3.101 8.341 933 HB2 GLN 116 1HB GLN 116 6.698 3.577 9.492 934 HB3 GLN 116 2HB GLN 116 8.040 3.122 10.533 935 HG2 GLN 116 1HG GLN 116 9.290 5.074 9.808 936 HG3 GLN 116 2HG GLN 116 7.980 5.522 8.717 937 HE21 GLN 116 1HE2 GLN 116 8.563 4.773 12.133 938 HE22 GLN 116 2HE2 GLN 116 7.488 5.973 12.758 939 H ARG 117 H ARG 117 6.359 1.302 8.493 940 HA ARG 117 HA ARG 117 7.378 -0.883 9.950 941 HB2 ARG 117 1HB ARG 117 4.999 -0.645 8.106 942 HB3 ARG 117 2HB ARG 117 5.348 -2.084 9.054 943 HG2 ARG 117 1HG ARG 117 5.426 -0.220 10.991 944 HG3 ARG 117 2HG ARG 117 4.263 0.520 9.889 945 HD2 ARG 117 1HD ARG 117 3.311 -1.978 9.901 946 HD3 ARG 117 2HD ARG 117 4.055 -1.956 11.499 947 HE ARG 117 HE ARG 117 1.640 -0.696 10.753 948 HH11 ARG 117 1HH1 ARG 117 4.489 -0.204 12.692 949 HH12 ARG 117 2HH1 ARG 117 3.698 0.844 13.822 950 HH21 ARG 117 1HH2 ARG 117 0.587 0.683 12.234 951 HH22 ARG 117 2HH2 ARG 117 1.478 1.347 13.561 952 H LEU 118 H LEU 118 6.791 -0.485 6.461 953 HA LEU 118 HA LEU 118 7.607 -2.961 5.571 954 HB2 LEU 118 1HB LEU 118 7.832 -0.233 4.343 955 HB3 LEU 118 2HB LEU 118 8.371 -1.677 3.489 956 HG LEU 118 HG LEU 118 5.555 -1.163 4.444 957 HD11 LEU 118 1HD1 LEU 118 6.962 -0.255 2.125 958 HD12 LEU 118 2HD1 LEU 118 5.291 0.040 2.602 959 HD13 LEU 118 3HD1 LEU 118 5.696 -1.386 1.647 960 HD21 LEU 118 3HD2 LEU 118 6.868 -3.441 3.001 961 HD22 LEU 118 1HD2 LEU 118 5.144 -3.111 2.825 962 HD23 LEU 118 2HD2 LEU 118 5.813 -3.482 4.415 963 H GLU 119 H GLU 119 9.579 -0.183 6.466 964 HA GLU 119 HA GLU 119 12.046 -1.253 5.553 965 HB2 GLU 119 1HB GLU 119 11.389 0.908 7.553 966 HB3 GLU 119 2HB GLU 119 13.036 0.490 7.100 967 HG2 GLU 119 1HG GLU 119 11.053 1.175 4.982 968 HG3 GLU 119 2HG GLU 119 11.808 2.457 5.926 969 H GLU 120 H GLU 120 10.240 -1.494 8.541 970 HA GLU 120 HA GLU 120 12.387 -2.688 10.029 971 HB2 GLU 120 1HB GLU 120 9.520 -2.069 10.520 972 HB3 GLU 120 2HB GLU 120 10.252 -3.331 11.501 973 HG2 GLU 120 1HG GLU 120 12.061 -1.686 12.077 974 HG3 GLU 120 2HG GLU 120 11.078 -0.450 11.295 975 H ARG 121 H ARG 121 9.550 -3.845 8.281 976 HA ARG 121 HA ARG 121 9.668 -6.533 9.077 977 HB2 ARG 121 1HB ARG 121 8.532 -5.137 6.672 978 HB3 ARG 121 2HB ARG 121 8.494 -6.890 6.793 979 HG2 ARG 121 1HG ARG 121 7.464 -5.301 9.081 980 HG3 ARG 121 2HG ARG 121 6.486 -5.405 7.616 981 HD2 ARG 121 1HD ARG 121 6.440 -7.797 7.742 982 HD3 ARG 121 2HD ARG 121 7.601 -7.797 9.069 983 HE ARG 121 HE ARG 121 4.786 -7.447 9.268 984 HH11 ARG 121 1HH1 ARG 121 7.816 -6.468 10.676 985 HH12 ARG 121 2HH1 ARG 121 7.134 -6.140 12.235 986 HH21 ARG 121 1HH2 ARG 121 3.877 -7.019 11.316 987 HH22 ARG 121 2HH2 ARG 121 4.895 -6.455 12.598 988 H GLN 122 H GLN 122 11.170 -4.835 6.356 989 HA GLN 122 HA GLN 122 12.220 -6.882 4.898 990 HB2 GLN 122 1HB GLN 122 12.508 -4.542 4.280 991 HB3 GLN 122 2HB GLN 122 13.595 -4.295 5.640 992 HG2 GLN 122 1HG GLN 122 15.112 -4.553 3.971 993 HG3 GLN 122 2HG GLN 122 14.945 -6.232 4.483 994 HE21 GLN 122 1HE2 GLN 122 13.899 -7.690 3.158 995 HE22 GLN 122 2HE2 GLN 122 13.520 -7.346 1.508 996 H ARG 123 H ARG 123 13.309 -5.723 8.021 997 HA ARG 123 HA ARG 123 15.790 -6.659 8.374 998 HB2 ARG 123 1HB ARG 123 15.339 -6.958 10.671 999 HB3 ARG 123 2HB ARG 123 14.195 -5.735 10.133 1000 HG2 ARG 123 1HG ARG 123 12.500 -7.573 9.895 1001 HG3 ARG 123 2HG ARG 123 13.654 -8.635 10.704 1002 HD2 ARG 123 1HD ARG 123 12.910 -6.023 11.948 1003 HD3 ARG 123 2HD ARG 123 11.815 -7.398 12.083 1004 HE ARG 123 HE ARG 123 13.296 -8.410 13.524 1005 HH11 ARG 123 1HH1 ARG 123 14.799 -5.646 12.032 1006 HH12 ARG 123 2HH1 ARG 123 16.177 -5.664 13.083 1007 HH21 ARG 123 1HH2 ARG 123 15.105 -8.444 14.914 1008 HH22 ARG 123 2HH2 ARG 123 16.350 -7.257 14.721 1009 H ARG 124 H ARG 124 12.896 -8.695 8.265 1010 HA ARG 124 HA ARG 124 14.061 -11.140 8.906 1011 HB2 ARG 124 1HB ARG 124 11.644 -10.295 7.389 1012 HB3 ARG 124 2HB ARG 124 12.167 -11.965 7.219 1013 HG2 ARG 124 1HG ARG 124 10.738 -12.181 8.975 1014 HG3 ARG 124 2HG ARG 124 12.235 -11.853 9.851 1015 HD2 ARG 124 1HD ARG 124 11.629 -9.647 10.302 1016 HD3 ARG 124 2HD ARG 124 10.415 -9.622 9.023 1017 HE ARG 124 HE ARG 124 9.609 -11.534 10.862 1018 HH11 ARG 124 1HH1 ARG 124 10.174 -8.099 10.785 1019 HH12 ARG 124 2HH1 ARG 124 8.995 -7.746 12.006 1020 HH21 ARG 124 1HH2 ARG 124 8.055 -11.082 12.470 1021 HH22 ARG 124 2HH2 ARG 124 7.792 -9.444 12.964 1022 H ARG 125 H ARG 125 14.607 -12.945 7.508 1023 HA ARG 125 HA ARG 125 15.877 -12.049 5.005 1024 HB2 ARG 125 1HB ARG 125 17.497 -13.883 5.340 1025 HB3 ARG 125 2HB ARG 125 17.529 -12.713 6.652 1026 HG2 ARG 125 1HG ARG 125 17.580 -14.642 7.852 1027 HG3 ARG 125 2HG ARG 125 15.834 -14.408 7.747 1028 HD2 ARG 125 1HD ARG 125 15.670 -15.968 5.937 1029 HD3 ARG 125 2HD ARG 125 17.425 -16.082 5.813 1030 HE ARG 125 HE ARG 125 15.756 -17.561 7.558 1031 HH11 ARG 125 1HH1 ARG 125 18.859 -15.990 7.399 1032 HH12 ARG 125 2HH1 ARG 125 19.590 -17.027 8.579 1033 HH21 ARG 125 1HH2 ARG 125 16.707 -18.933 9.112 1034 HH22 ARG 125 2HH2 ARG 125 18.365 -18.701 9.552 1035 H LYS 126 H LYS 126 16.221 -13.911 3.427 1036 HA LYS 126 HA LYS 126 13.896 -15.718 3.441 1037 HB2 LYS 126 1HB LYS 126 13.513 -15.333 1.110 1038 HB3 LYS 126 2HB LYS 126 13.585 -13.764 1.901 1039 HG2 LYS 126 1HG LYS 126 16.083 -14.855 0.723 1040 HG3 LYS 126 2HG LYS 126 14.840 -14.234 -0.366 1041 HD2 LYS 126 1HD LYS 126 15.676 -12.600 1.990 1042 HD3 LYS 126 2HD LYS 126 16.709 -12.650 0.559 1043 HE2 LYS 126 1HE LYS 126 14.933 -11.825 -0.824 1044 HE3 LYS 126 2HE LYS 126 13.775 -11.961 0.498 1045 HZ1 LYS 126 3HZ LYS 126 14.335 -9.955 1.212 1046 HZ2 LYS 126 1HZ LYS 126 15.302 -9.759 -0.162 1047 HZ3 LYS 126 2HZ LYS 126 15.978 -10.355 1.268 1048 H GLN 127 H GLN 127 17.102 -15.619 3.661 1049 HA GLN 127 HA GLN 127 17.985 -17.461 1.697 1050 HB2 GLN 127 1HB GLN 127 19.574 -16.029 2.821 1051 HB3 GLN 127 2HB GLN 127 19.143 -16.710 4.384 1052 HG2 GLN 127 1HG GLN 127 21.231 -17.636 3.700 1053 HG3 GLN 127 2HG GLN 127 20.005 -18.899 3.616 1054 HE21 GLN 127 1HE2 GLN 127 22.140 -16.848 1.818 1055 HE22 GLN 127 2HE2 GLN 127 21.959 -17.644 0.295 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.049 35.048 17.312 2 HA2 GLY 1 1HA GLY 1 -9.002 32.849 17.593 3 HA3 GLY 1 2HA GLY 1 -9.155 34.402 18.400 4 H SER 2 H SER 2 -8.614 36.162 16.364 5 HA SER 2 HA SER 2 -10.980 35.785 14.681 6 HB2 SER 2 1HB SER 2 -10.489 37.893 16.145 7 HB3 SER 2 2HB SER 2 -9.412 38.342 14.823 8 HG SER 2 HG SER 2 -11.085 38.818 13.644 9 H SER 3 H SER 3 -7.589 36.825 14.407 10 HA SER 3 HA SER 3 -7.210 35.432 11.958 11 HB2 SER 3 1HB SER 3 -8.564 37.501 11.275 12 HB3 SER 3 2HB SER 3 -7.120 38.433 11.669 13 HG SER 3 HG SER 3 -7.391 36.393 9.720 14 H GLY 4 H GLY 4 -5.037 36.179 10.920 15 HA2 GLY 4 1HA GLY 4 -2.757 36.089 11.295 16 HA3 GLY 4 2HA GLY 4 -3.071 37.623 12.092 17 H SER 5 H SER 5 -4.015 34.342 13.058 18 HA SER 5 HA SER 5 -3.473 34.694 15.762 19 HB2 SER 5 1HB SER 5 -3.563 32.239 15.933 20 HB3 SER 5 2HB SER 5 -4.853 32.853 14.899 21 HG SER 5 HG SER 5 -2.448 32.157 13.676 22 H SER 6 H SER 6 -1.815 33.592 17.074 23 HA SER 6 HA SER 6 0.732 33.106 15.748 24 HB2 SER 6 1HB SER 6 0.473 35.603 16.403 25 HB3 SER 6 2HB SER 6 0.685 35.033 18.058 26 HG SER 6 HG SER 6 2.612 33.890 16.925 27 H GLY 7 H GLY 7 1.989 31.640 16.793 28 HA2 GLY 7 1HA GLY 7 1.789 31.083 19.579 29 HA3 GLY 7 2HA GLY 7 0.903 29.892 18.639 30 H MET 8 H MET 8 2.032 28.103 18.329 31 HA MET 8 HA MET 8 4.959 28.273 18.224 32 HB2 MET 8 1HB MET 8 4.006 26.757 19.904 33 HB3 MET 8 2HB MET 8 3.162 25.877 18.637 34 HG2 MET 8 1HG MET 8 5.141 24.680 19.329 35 HG3 MET 8 2HG MET 8 5.301 25.224 17.661 36 HE1 MET 8 3HE MET 8 6.304 26.671 21.417 37 HE2 MET 8 1HE MET 8 6.599 24.975 21.031 38 HE3 MET 8 2HE MET 8 7.954 26.093 21.177 39 H ALA 9 H ALA 9 6.106 26.922 16.672 40 HA ALA 9 HA ALA 9 5.413 27.372 14.048 41 HB1 ALA 9 3HB ALA 9 7.500 26.066 15.405 42 HB2 ALA 9 1HB ALA 9 6.906 24.933 14.190 43 HB3 ALA 9 2HB ALA 9 7.443 26.543 13.708 44 H SER 10 H SER 10 4.527 26.120 12.387 45 HA SER 10 HA SER 10 2.403 24.366 13.232 46 HB2 SER 10 1HB SER 10 2.094 26.022 11.407 47 HB3 SER 10 2HB SER 10 3.257 25.127 10.428 48 HG SER 10 HG SER 10 0.630 24.518 11.073 49 H SER 11 H SER 11 2.316 22.199 13.098 50 HA SER 11 HA SER 11 4.760 20.774 12.535 51 HB2 SER 11 1HB SER 11 2.984 20.299 14.398 52 HB3 SER 11 2HB SER 11 2.148 19.416 13.120 53 HG SER 11 HG SER 11 3.616 18.119 14.372 54 H VAL 12 H VAL 12 4.896 18.956 11.083 55 HA VAL 12 HA VAL 12 4.700 17.958 9.047 56 HB VAL 12 HB VAL 12 1.819 18.853 9.067 57 HG11 VAL 12 1HG1 VAL 12 1.590 17.635 7.223 58 HG12 VAL 12 2HG1 VAL 12 3.344 17.450 7.185 59 HG13 VAL 12 3HG1 VAL 12 2.346 16.239 7.991 60 HG21 VAL 12 3HG2 VAL 12 3.017 16.371 10.296 61 HG22 VAL 12 1HG2 VAL 12 2.353 17.744 11.181 62 HG23 VAL 12 2HG2 VAL 12 1.297 16.744 10.183 63 H ASP 13 H ASP 13 5.595 20.646 9.138 64 HA ASP 13 HA ASP 13 4.475 22.472 7.441 65 HB2 ASP 13 1HB ASP 13 6.657 22.638 8.775 66 HB3 ASP 13 2HB ASP 13 7.431 21.888 7.382 67 H GLU 14 H GLU 14 5.471 23.082 5.209 68 HA GLU 14 HA GLU 14 4.547 21.318 3.304 69 HB2 GLU 14 1HB GLU 14 5.774 22.652 1.656 70 HB3 GLU 14 2HB GLU 14 4.979 23.680 2.841 71 HG2 GLU 14 1HG GLU 14 7.088 23.992 4.009 72 HG3 GLU 14 2HG GLU 14 7.894 22.930 2.856 73 H GLU 15 H GLU 15 7.670 21.438 4.851 74 HA GLU 15 HA GLU 15 9.040 19.760 3.011 75 HB2 GLU 15 1HB GLU 15 10.343 21.156 4.447 76 HB3 GLU 15 2HB GLU 15 9.577 20.499 5.886 77 HG2 GLU 15 1HG GLU 15 10.837 18.606 5.869 78 HG3 GLU 15 2HG GLU 15 11.035 18.619 4.118 79 H ALA 16 H ALA 16 7.521 19.143 6.168 80 HA ALA 16 HA ALA 16 8.068 16.508 6.555 81 HB1 ALA 16 3HB ALA 16 5.571 18.075 7.103 82 HB2 ALA 16 1HB ALA 16 5.707 16.375 7.550 83 HB3 ALA 16 2HB ALA 16 6.827 17.558 8.228 84 H LEU 17 H LEU 17 5.393 17.779 4.577 85 HA LEU 17 HA LEU 17 4.384 15.296 3.752 86 HB2 LEU 17 1HB LEU 17 4.301 17.996 2.420 87 HB3 LEU 17 2HB LEU 17 3.393 16.594 1.857 88 HG LEU 17 HG LEU 17 3.052 17.775 4.606 89 HD11 LEU 17 1HD1 LEU 17 1.110 18.938 3.778 90 HD12 LEU 17 2HD1 LEU 17 1.386 18.313 2.152 91 HD13 LEU 17 3HD1 LEU 17 2.531 19.448 2.866 92 HD21 LEU 17 3HD2 LEU 17 2.211 15.376 3.488 93 HD22 LEU 17 1HD2 LEU 17 0.798 16.428 3.397 94 HD23 LEU 17 2HD2 LEU 17 1.584 16.140 4.949 95 H HIS 18 H HIS 18 6.559 17.536 2.031 96 HA HIS 18 HA HIS 18 7.035 16.214 -0.279 97 HB2 HIS 18 1HB HIS 18 8.149 18.356 0.742 98 HB3 HIS 18 2HB HIS 18 9.412 17.232 1.235 99 HD1 HIS 18 1HD HIS 18 10.711 18.965 -0.510 100 HD2 HIS 18 2HD HIS 18 8.175 16.097 -2.123 101 HE1 HIS 18 1HE HIS 18 11.385 18.753 -2.924 102 HE2 HIS 18 2HE HIS 18 9.780 17.074 -3.900 103 H GLN 19 H GLN 19 8.637 15.521 2.818 104 HA GLN 19 HA GLN 19 10.408 13.579 2.100 105 HB2 GLN 19 1HB GLN 19 8.646 13.754 4.539 106 HB3 GLN 19 2HB GLN 19 9.897 12.531 4.365 107 HG2 GLN 19 1HG GLN 19 10.352 15.506 4.303 108 HG3 GLN 19 2HG GLN 19 10.636 14.454 5.689 109 HE21 GLN 19 1HE2 GLN 19 11.988 12.419 4.949 110 HE22 GLN 19 2HE2 GLN 19 13.437 12.817 4.097 111 H LEU 20 H LEU 20 6.934 13.160 2.655 112 HA LEU 20 HA LEU 20 6.946 10.349 2.203 113 HB2 LEU 20 1HB LEU 20 5.143 11.116 3.454 114 HB3 LEU 20 2HB LEU 20 4.827 12.456 2.354 115 HG LEU 20 HG LEU 20 4.181 10.565 0.678 116 HD11 LEU 20 1HD1 LEU 20 3.528 9.134 3.232 117 HD12 LEU 20 2HD1 LEU 20 5.016 8.814 2.342 118 HD13 LEU 20 3HD1 LEU 20 3.453 8.534 1.575 119 HD21 LEU 20 3HD2 LEU 20 2.381 11.848 1.110 120 HD22 LEU 20 1HD2 LEU 20 2.682 11.870 2.848 121 HD23 LEU 20 2HD2 LEU 20 1.892 10.478 2.108 122 H TYR 21 H TYR 21 6.195 13.158 0.180 123 HA TYR 21 HA TYR 21 5.358 11.735 -2.096 124 HB2 TYR 21 1HB TYR 21 6.420 14.506 -1.645 125 HB3 TYR 21 2HB TYR 21 6.140 13.921 -3.281 126 HD1 TYR 21 2HD TYR 21 3.683 12.364 -2.997 127 HD2 TYR 21 1HD TYR 21 4.764 16.080 -1.228 128 HE1 TYR 21 2HE TYR 21 1.304 12.960 -2.807 129 HE2 TYR 21 1HE TYR 21 2.389 16.685 -1.032 130 HH TYR 21 HH TYR 21 -0.164 14.403 -1.886 131 H LEU 22 H LEU 22 8.475 12.285 -0.759 132 HA LEU 22 HA LEU 22 9.923 11.817 -3.210 133 HB2 LEU 22 1HB LEU 22 10.753 12.061 -0.331 134 HB3 LEU 22 2HB LEU 22 11.893 11.683 -1.620 135 HG LEU 22 HG LEU 22 10.228 14.196 -1.510 136 HD11 LEU 22 1HD1 LEU 22 13.159 14.204 -1.041 137 HD12 LEU 22 2HD1 LEU 22 12.108 13.712 0.286 138 HD13 LEU 22 3HD1 LEU 22 11.912 15.302 -0.450 139 HD21 LEU 22 3HD2 LEU 22 10.845 13.709 -3.751 140 HD22 LEU 22 1HD2 LEU 22 12.485 13.268 -3.274 141 HD23 LEU 22 2HD2 LEU 22 11.959 14.949 -3.172 142 H TRP 23 H TRP 23 8.909 9.967 -0.407 143 HA TRP 23 HA TRP 23 10.490 7.692 -0.759 144 HB2 TRP 23 1HB TRP 23 9.322 7.807 1.272 145 HB3 TRP 23 2HB TRP 23 7.787 8.148 0.476 146 HD1 TRP 23 HD TRP 23 10.292 5.173 0.608 147 HE1 TRP 23 1HE TRP 23 8.920 2.996 0.656 148 HE3 TRP 23 3HE TRP 23 5.595 7.166 0.295 149 HZ2 TRP 23 2HZ TRP 23 6.206 2.225 0.572 150 HZ3 TRP 23 3HZ TRP 23 3.665 5.640 0.284 151 HH2 TRP 23 HH TRP 23 3.966 3.221 0.419 152 H VAL 24 H VAL 24 7.278 8.462 -2.066 153 HA VAL 24 HA VAL 24 6.903 6.027 -3.439 154 HB VAL 24 HB VAL 24 5.746 8.744 -4.079 155 HG11 VAL 24 1HG1 VAL 24 4.899 5.977 -4.926 156 HG12 VAL 24 2HG1 VAL 24 3.950 7.443 -5.178 157 HG13 VAL 24 3HG1 VAL 24 5.518 7.260 -5.966 158 HG21 VAL 24 3HG2 VAL 24 4.475 6.509 -2.512 159 HG22 VAL 24 1HG2 VAL 24 5.345 7.846 -1.760 160 HG23 VAL 24 2HG2 VAL 24 3.894 8.163 -2.711 161 H ASP 25 H ASP 25 8.684 8.907 -4.207 162 HA ASP 25 HA ASP 25 8.854 8.877 -6.940 163 HB2 ASP 25 1HB ASP 25 10.057 10.347 -5.095 164 HB3 ASP 25 2HB ASP 25 11.391 9.241 -5.407 165 H ASN 26 H ASN 26 10.992 7.078 -4.723 166 HA ASN 26 HA ASN 26 12.600 5.770 -6.479 167 HB2 ASN 26 1HB ASN 26 12.910 5.457 -4.122 168 HB3 ASN 26 2HB ASN 26 11.325 4.709 -3.954 169 HD21 ASN 26 1HD2 ASN 26 13.690 4.116 -6.486 170 HD22 ASN 26 2HD2 ASN 26 13.982 2.462 -6.080 171 H ILE 27 H ILE 27 9.229 5.090 -5.803 172 HA ILE 27 HA ILE 27 9.285 2.800 -7.633 173 HB ILE 27 HB ILE 27 6.827 3.658 -6.159 174 HG12 ILE 27 1HG1 ILE 27 8.969 1.906 -4.946 175 HG13 ILE 27 2HG1 ILE 27 8.781 3.613 -4.557 176 HG21 ILE 27 1HG2 ILE 27 6.442 1.207 -6.141 177 HG22 ILE 27 2HG2 ILE 27 6.584 1.884 -7.762 178 HG23 ILE 27 3HG2 ILE 27 7.937 1.003 -7.054 179 HD11 ILE 27 3HD1 ILE 27 6.469 3.117 -3.799 180 HD12 ILE 27 1HD1 ILE 27 6.808 1.404 -4.047 181 HD13 ILE 27 2HD1 ILE 27 7.728 2.322 -2.854 182 HA PRO 28 HA PRO 28 7.604 5.244 -10.905 183 HB2 PRO 28 1HB PRO 28 6.744 3.208 -12.482 184 HB3 PRO 28 2HB PRO 28 8.450 3.642 -12.318 185 HG2 PRO 28 1HG PRO 28 6.913 1.455 -10.970 186 HG3 PRO 28 2HG PRO 28 8.537 1.407 -11.682 187 HD2 PRO 28 1HD PRO 28 8.121 1.643 -9.017 188 HD3 PRO 28 2HD PRO 28 9.512 2.382 -9.836 189 H LEU 29 H LEU 29 5.481 2.541 -11.329 190 HA LEU 29 HA LEU 29 3.212 2.368 -11.336 191 HB2 LEU 29 1HB LEU 29 3.402 4.089 -8.870 192 HB3 LEU 29 2HB LEU 29 2.063 3.033 -9.318 193 HG LEU 29 HG LEU 29 4.832 2.011 -8.719 194 HD11 LEU 29 1HD1 LEU 29 3.933 1.392 -6.505 195 HD12 LEU 29 2HD1 LEU 29 2.481 2.328 -6.860 196 HD13 LEU 29 3HD1 LEU 29 4.044 3.137 -6.738 197 HD21 LEU 29 3HD2 LEU 29 2.550 0.823 -9.832 198 HD22 LEU 29 1HD2 LEU 29 2.640 0.241 -8.170 199 HD23 LEU 29 2HD2 LEU 29 4.011 0.020 -9.256 200 H SER 30 H SER 30 4.049 4.243 -13.094 201 HA SER 30 HA SER 30 2.671 6.742 -12.689 202 HB2 SER 30 1HB SER 30 4.227 5.557 -14.981 203 HB3 SER 30 2HB SER 30 3.340 7.071 -15.155 204 HG SER 30 HG SER 30 5.491 6.490 -13.410 205 H ARG 31 H ARG 31 1.356 3.928 -12.993 206 HA ARG 31 HA ARG 31 -0.163 3.626 -15.210 207 HB2 ARG 31 1HB ARG 31 -0.617 3.086 -12.337 208 HB3 ARG 31 2HB ARG 31 -2.053 3.086 -13.352 209 HG2 ARG 31 1HG ARG 31 -1.173 1.349 -14.727 210 HG3 ARG 31 2HG ARG 31 0.405 1.456 -13.943 211 HD2 ARG 31 1HD ARG 31 -0.486 0.619 -11.887 212 HD3 ARG 31 2HD ARG 31 -2.136 0.718 -12.502 213 HE ARG 31 HE ARG 31 -1.814 -1.265 -13.620 214 HH11 ARG 31 1HH1 ARG 31 1.239 -0.065 -12.453 215 HH12 ARG 31 2HH1 ARG 31 2.100 -1.523 -12.821 216 HH21 ARG 31 1HH2 ARG 31 -0.691 -3.190 -14.108 217 HH22 ARG 31 2HH2 ARG 31 1.002 -3.299 -13.763 218 HA PRO 32 HA PRO 32 -3.505 6.767 -13.712 219 HB2 PRO 32 1HB PRO 32 -2.929 8.271 -11.526 220 HB3 PRO 32 2HB PRO 32 -3.720 6.693 -11.425 221 HG2 PRO 32 1HG PRO 32 -0.842 7.400 -11.001 222 HG3 PRO 32 2HG PRO 32 -1.878 6.311 -10.059 223 HD2 PRO 32 1HD PRO 32 -0.096 5.408 -11.887 224 HD3 PRO 32 2HD PRO 32 -1.628 4.576 -11.555 225 H LYS 33 H LYS 33 -3.462 9.363 -13.160 226 HA LYS 33 HA LYS 33 -1.474 10.413 -15.033 227 HB2 LYS 33 1HB LYS 33 -3.920 11.790 -13.911 228 HB3 LYS 33 2HB LYS 33 -2.924 12.338 -15.253 229 HG2 LYS 33 1HG LYS 33 -4.638 9.863 -15.208 230 HG3 LYS 33 2HG LYS 33 -4.993 11.369 -16.056 231 HD2 LYS 33 1HD LYS 33 -3.096 11.066 -17.501 232 HD3 LYS 33 2HD LYS 33 -2.563 9.660 -16.577 233 HE2 LYS 33 1HE LYS 33 -4.312 8.332 -17.363 234 HE3 LYS 33 2HE LYS 33 -5.270 9.726 -17.861 235 HZ1 LYS 33 3HZ LYS 33 -3.673 10.146 -19.626 236 HZ2 LYS 33 1HZ LYS 33 -4.318 8.588 -19.763 237 HZ3 LYS 33 2HZ LYS 33 -2.757 8.805 -19.149 238 H ARG 34 H ARG 34 -1.155 12.962 -14.429 239 HA ARG 34 HA ARG 34 0.808 13.181 -12.611 240 HB2 ARG 34 1HB ARG 34 -1.329 15.271 -13.074 241 HB3 ARG 34 2HB ARG 34 0.256 15.571 -12.373 242 HG2 ARG 34 1HG ARG 34 -0.259 14.564 -15.164 243 HG3 ARG 34 2HG ARG 34 0.154 16.223 -14.724 244 HD2 ARG 34 1HD ARG 34 2.237 15.205 -13.629 245 HD3 ARG 34 2HD ARG 34 1.851 13.753 -14.553 246 HE ARG 34 HE ARG 34 2.529 14.821 -16.472 247 HH11 ARG 34 1HH1 ARG 34 2.250 17.128 -13.880 248 HH12 ARG 34 2HH1 ARG 34 3.018 18.407 -14.760 249 HH21 ARG 34 1HH2 ARG 34 3.542 16.498 -17.642 250 HH22 ARG 34 2HH2 ARG 34 3.751 18.048 -16.901 251 H ASN 35 H ASN 35 -2.548 14.076 -11.780 252 HA ASN 35 HA ASN 35 -2.032 14.180 -8.993 253 HB2 ASN 35 1HB ASN 35 -3.946 15.275 -10.369 254 HB3 ASN 35 2HB ASN 35 -4.772 13.736 -10.143 255 HD21 ASN 35 1HD2 ASN 35 -4.933 12.976 -7.875 256 HD22 ASN 35 2HD2 ASN 35 -5.221 14.160 -6.650 257 H LEU 36 H LEU 36 -1.165 12.292 -8.221 258 HA LEU 36 HA LEU 36 -2.300 9.727 -8.810 259 HB2 LEU 36 1HB LEU 36 -0.694 8.868 -7.205 260 HB3 LEU 36 2HB LEU 36 0.073 9.985 -8.332 261 HG LEU 36 HG LEU 36 -0.399 11.698 -6.353 262 HD11 LEU 36 1HD1 LEU 36 -1.414 9.579 -5.129 263 HD12 LEU 36 2HD1 LEU 36 -0.537 10.834 -4.254 264 HD13 LEU 36 3HD1 LEU 36 0.278 9.333 -4.695 265 HD21 LEU 36 3HD2 LEU 36 1.815 10.167 -7.285 266 HD22 LEU 36 1HD2 LEU 36 1.924 10.309 -5.530 267 HD23 LEU 36 2HD2 LEU 36 1.811 11.761 -6.526 268 H SER 37 H SER 37 -2.528 12.048 -6.181 269 HA SER 37 HA SER 37 -3.658 10.594 -4.164 270 HB2 SER 37 1HB SER 37 -3.150 13.046 -4.101 271 HB3 SER 37 2HB SER 37 -4.627 13.331 -5.022 272 HG SER 37 HG SER 37 -4.468 13.226 -2.464 273 H ARG 38 H ARG 38 -4.992 11.234 -7.260 274 HA ARG 38 HA ARG 38 -7.736 10.785 -6.537 275 HB2 ARG 38 1HB ARG 38 -6.229 11.197 -9.077 276 HB3 ARG 38 2HB ARG 38 -7.814 10.441 -9.168 277 HG2 ARG 38 1HG ARG 38 -8.584 12.456 -7.734 278 HG3 ARG 38 2HG ARG 38 -7.085 13.201 -8.296 279 HD2 ARG 38 1HD ARG 38 -9.115 11.980 -10.153 280 HD3 ARG 38 2HD ARG 38 -9.148 13.677 -9.675 281 HE ARG 38 HE ARG 38 -6.640 12.759 -10.785 282 HH11 ARG 38 1HH1 ARG 38 -9.738 14.222 -11.405 283 HH12 ARG 38 2HH1 ARG 38 -9.235 14.968 -12.886 284 HH21 ARG 38 1HH2 ARG 38 -5.966 13.737 -12.732 285 HH22 ARG 38 2HH2 ARG 38 -7.090 14.691 -13.640 286 H ASP 39 H ASP 39 -5.167 8.879 -8.060 287 HA ASP 39 HA ASP 39 -6.839 6.548 -8.319 288 HB2 ASP 39 1HB ASP 39 -4.915 7.157 -9.863 289 HB3 ASP 39 2HB ASP 39 -3.833 6.657 -8.567 290 H PHE 40 H PHE 40 -3.889 7.269 -6.444 291 HA PHE 40 HA PHE 40 -3.540 5.079 -4.953 292 HB2 PHE 40 1HB PHE 40 -3.336 7.973 -4.273 293 HB3 PHE 40 2HB PHE 40 -3.189 6.811 -2.959 294 HD1 PHE 40 2HD PHE 40 -1.864 7.427 -6.389 295 HD2 PHE 40 1HD PHE 40 -1.105 5.989 -2.456 296 HE1 PHE 40 2HE PHE 40 0.496 7.065 -6.981 297 HE2 PHE 40 1HE PHE 40 1.257 5.626 -3.040 298 HZ PHE 40 HZ PHE 40 2.060 6.163 -5.305 299 H SER 41 H SER 41 -6.110 7.445 -4.440 300 HA SER 41 HA SER 41 -7.208 6.834 -2.079 301 HB2 SER 41 1HB SER 41 -8.806 7.012 -4.645 302 HB3 SER 41 2HB SER 41 -9.424 7.290 -3.016 303 HG SER 41 HG SER 41 -7.751 8.988 -2.914 304 H ASP 42 H ASP 42 -8.073 4.998 -5.015 305 HA ASP 42 HA ASP 42 -9.556 3.004 -3.807 306 HB2 ASP 42 1HB ASP 42 -9.223 1.702 -5.792 307 HB3 ASP 42 2HB ASP 42 -9.297 3.394 -6.277 308 H GLY 43 H GLY 43 -9.120 1.007 -2.919 309 HA2 GLY 43 1HA GLY 43 -6.477 0.733 -1.749 310 HA3 GLY 43 2HA GLY 43 -7.890 -0.247 -1.383 311 H VAL 44 H VAL 44 -6.338 0.406 -4.507 312 HA VAL 44 HA VAL 44 -5.818 -2.488 -4.742 313 HB VAL 44 HB VAL 44 -6.535 -0.582 -6.975 314 HG11 VAL 44 1HG1 VAL 44 -5.113 -2.982 -7.064 315 HG12 VAL 44 2HG1 VAL 44 -6.750 -3.392 -7.581 316 HG13 VAL 44 3HG1 VAL 44 -5.850 -2.128 -8.420 317 HG21 VAL 44 3HG2 VAL 44 -8.184 -2.881 -5.954 318 HG22 VAL 44 1HG2 VAL 44 -8.375 -1.234 -5.352 319 HG23 VAL 44 2HG2 VAL 44 -8.666 -1.590 -7.055 320 H LEU 45 H LEU 45 -4.877 0.496 -6.460 321 HA LEU 45 HA LEU 45 -2.398 -0.358 -7.331 322 HB2 LEU 45 1HB LEU 45 -3.658 1.764 -7.926 323 HB3 LEU 45 2HB LEU 45 -2.966 2.464 -6.464 324 HG LEU 45 HG LEU 45 -0.772 2.376 -7.348 325 HD11 LEU 45 1HD1 LEU 45 -0.402 1.402 -9.663 326 HD12 LEU 45 2HD1 LEU 45 -1.962 0.605 -9.462 327 HD13 LEU 45 3HD1 LEU 45 -0.642 0.254 -8.346 328 HD21 LEU 45 3HD2 LEU 45 -2.919 3.531 -8.974 329 HD22 LEU 45 1HD2 LEU 45 -1.390 3.317 -9.827 330 HD23 LEU 45 2HD2 LEU 45 -1.446 4.269 -8.343 331 H VAL 46 H VAL 46 -3.313 1.009 -4.223 332 HA VAL 46 HA VAL 46 -0.839 1.588 -3.139 333 HB VAL 46 HB VAL 46 -3.208 0.385 -1.701 334 HG11 VAL 46 1HG1 VAL 46 -1.151 2.156 -0.444 335 HG12 VAL 46 2HG1 VAL 46 -2.261 1.014 0.317 336 HG13 VAL 46 3HG1 VAL 46 -0.866 0.421 -0.586 337 HG21 VAL 46 3HG2 VAL 46 -2.439 3.254 -2.226 338 HG22 VAL 46 1HG2 VAL 46 -3.844 2.399 -2.863 339 HG23 VAL 46 2HG2 VAL 46 -3.729 2.743 -1.137 340 H ALA 47 H ALA 47 -2.479 -1.528 -3.385 341 HA ALA 47 HA ALA 47 -0.781 -3.056 -1.787 342 HB1 ALA 47 3HB ALA 47 -1.874 -4.883 -2.606 343 HB2 ALA 47 1HB ALA 47 -3.016 -3.625 -3.080 344 HB3 ALA 47 2HB ALA 47 -1.881 -4.276 -4.262 345 H GLU 48 H GLU 48 -0.437 -1.978 -5.112 346 HA GLU 48 HA GLU 48 1.655 -3.637 -5.924 347 HB2 GLU 48 1HB GLU 48 1.052 -0.781 -6.707 348 HB3 GLU 48 2HB GLU 48 2.199 -1.819 -7.542 349 HG2 GLU 48 1HG GLU 48 0.138 -3.424 -7.728 350 HG3 GLU 48 2HG GLU 48 -0.773 -1.934 -7.487 351 H VAL 49 H VAL 49 1.764 -0.451 -4.355 352 HA VAL 49 HA VAL 49 4.461 0.031 -4.327 353 HB VAL 49 HB VAL 49 2.522 0.554 -2.069 354 HG11 VAL 49 1HG1 VAL 49 4.584 2.501 -2.248 355 HG12 VAL 49 2HG1 VAL 49 4.216 1.405 -0.915 356 HG13 VAL 49 3HG1 VAL 49 5.333 0.906 -2.186 357 HG21 VAL 49 3HG2 VAL 49 1.856 1.513 -4.243 358 HG22 VAL 49 1HG2 VAL 49 2.256 2.750 -3.051 359 HG23 VAL 49 2HG2 VAL 49 3.406 2.350 -4.327 360 H ILE 50 H ILE 50 2.625 -1.946 -2.017 361 HA ILE 50 HA ILE 50 4.784 -2.596 -0.338 362 HB ILE 50 HB ILE 50 2.336 -4.278 -0.885 363 HG12 ILE 50 1HG1 ILE 50 2.681 -2.305 1.364 364 HG13 ILE 50 2HG1 ILE 50 1.988 -1.829 -0.182 365 HG21 ILE 50 1HG2 ILE 50 4.621 -4.691 0.761 366 HG22 ILE 50 2HG2 ILE 50 3.217 -4.439 1.797 367 HG23 ILE 50 3HG2 ILE 50 3.194 -5.710 0.575 368 HD11 ILE 50 3HD1 ILE 50 0.462 -2.552 1.803 369 HD12 ILE 50 1HD1 ILE 50 0.075 -3.037 0.153 370 HD13 ILE 50 2HD1 ILE 50 0.855 -4.178 1.248 371 H LYS 51 H LYS 51 3.529 -4.122 -3.259 372 HA LYS 51 HA LYS 51 4.753 -6.540 -3.314 373 HB2 LYS 51 1HB LYS 51 3.408 -5.173 -5.146 374 HB3 LYS 51 2HB LYS 51 5.023 -4.871 -5.773 375 HG2 LYS 51 1HG LYS 51 4.005 -7.634 -5.183 376 HG3 LYS 51 2HG LYS 51 3.787 -6.844 -6.746 377 HD2 LYS 51 1HD LYS 51 6.509 -7.017 -5.516 378 HD3 LYS 51 2HD LYS 51 5.832 -8.407 -6.367 379 HE2 LYS 51 1HE LYS 51 5.896 -5.679 -7.616 380 HE3 LYS 51 2HE LYS 51 7.289 -6.757 -7.694 381 HZ1 LYS 51 3HZ LYS 51 6.195 -8.224 -9.043 382 HZ2 LYS 51 1HZ LYS 51 5.500 -6.773 -9.565 383 HZ3 LYS 51 2HZ LYS 51 4.657 -7.778 -8.498 384 H PHE 52 H PHE 52 6.288 -3.515 -4.418 385 HA PHE 52 HA PHE 52 8.741 -4.328 -5.168 386 HB2 PHE 52 1HB PHE 52 7.880 -1.941 -4.942 387 HB3 PHE 52 2HB PHE 52 8.422 -2.006 -3.268 388 HD1 PHE 52 2HD PHE 52 10.924 -2.812 -2.971 389 HD2 PHE 52 1HD PHE 52 9.314 -1.095 -6.517 390 HE1 PHE 52 2HE PHE 52 13.188 -2.161 -3.679 391 HE2 PHE 52 1HE PHE 52 11.576 -0.442 -7.232 392 HZ PHE 52 HZ PHE 52 13.517 -0.973 -5.811 393 H TYR 53 H TYR 53 7.665 -3.971 -1.815 394 HA TYR 53 HA TYR 53 10.212 -4.919 -0.798 395 HB2 TYR 53 1HB TYR 53 7.645 -4.170 0.615 396 HB3 TYR 53 2HB TYR 53 9.133 -4.638 1.429 397 HD1 TYR 53 1HD TYR 53 11.147 -3.176 1.242 398 HD2 TYR 53 2HD TYR 53 7.340 -1.969 -0.226 399 HE1 TYR 53 1HE TYR 53 11.915 -0.840 1.190 400 HE2 TYR 53 2HE TYR 53 8.098 0.371 -0.283 401 HH TYR 53 HH TYR 53 10.607 1.488 -0.491 402 H PHE 54 H PHE 54 6.835 -5.937 -0.248 403 HA PHE 54 HA PHE 54 7.811 -8.709 -0.049 404 HB2 PHE 54 1HB PHE 54 5.328 -7.499 1.186 405 HB3 PHE 54 2HB PHE 54 5.871 -9.162 1.378 406 HD1 PHE 54 1HD PHE 54 8.466 -9.270 2.167 407 HD2 PHE 54 2HD PHE 54 5.721 -6.115 2.959 408 HE1 PHE 54 1HE PHE 54 9.797 -8.609 4.128 409 HE2 PHE 54 2HE PHE 54 7.047 -5.449 4.921 410 HZ PHE 54 HZ PHE 54 9.088 -6.695 5.507 411 HA PRO 55 HA PRO 55 5.340 -8.712 -3.899 412 HB2 PRO 55 1HB PRO 55 6.755 -10.726 -5.046 413 HB3 PRO 55 2HB PRO 55 7.271 -9.036 -5.101 414 HG2 PRO 55 1HG PRO 55 8.185 -11.237 -3.290 415 HG3 PRO 55 2HG PRO 55 9.146 -10.001 -4.121 416 HD2 PRO 55 1HD PRO 55 8.478 -9.811 -1.504 417 HD3 PRO 55 2HD PRO 55 8.662 -8.387 -2.548 418 H LYS 56 H LYS 56 5.710 -10.769 -1.296 419 HA LYS 56 HA LYS 56 4.152 -12.960 -2.420 420 HB2 LYS 56 1HB LYS 56 4.485 -14.035 -0.234 421 HB3 LYS 56 2HB LYS 56 6.011 -13.527 -0.947 422 HG2 LYS 56 1HG LYS 56 5.794 -11.433 0.487 423 HG3 LYS 56 2HG LYS 56 4.525 -12.303 1.353 424 HD2 LYS 56 1HD LYS 56 6.211 -14.167 1.671 425 HD3 LYS 56 2HD LYS 56 7.433 -13.037 1.085 426 HE2 LYS 56 1HE LYS 56 5.618 -12.189 3.292 427 HE3 LYS 56 2HE LYS 56 6.941 -13.296 3.656 428 HZ1 LYS 56 3HZ LYS 56 8.266 -11.493 2.278 429 HZ2 LYS 56 1HZ LYS 56 8.012 -11.338 3.944 430 HZ3 LYS 56 2HZ LYS 56 7.032 -10.491 2.856 431 H MET 57 H MET 57 3.891 -10.681 0.310 432 HA MET 57 HA MET 57 1.390 -11.308 1.231 433 HB2 MET 57 1HB MET 57 2.596 -8.551 0.943 434 HB3 MET 57 2HB MET 57 1.206 -8.939 1.948 435 HG2 MET 57 1HG MET 57 2.883 -10.694 2.978 436 HG3 MET 57 2HG MET 57 4.078 -9.559 2.354 437 HE1 MET 57 3HE MET 57 2.370 -6.273 4.051 438 HE2 MET 57 1HE MET 57 3.789 -6.707 3.098 439 HE3 MET 57 2HE MET 57 2.173 -7.027 2.468 440 H VAL 58 H VAL 58 2.120 -8.913 -1.310 441 HA VAL 58 HA VAL 58 -0.361 -8.043 -1.981 442 HB VAL 58 HB VAL 58 1.851 -8.788 -3.897 443 HG11 VAL 58 1HG1 VAL 58 0.566 -6.846 -5.188 444 HG12 VAL 58 2HG1 VAL 58 0.158 -8.551 -5.395 445 HG13 VAL 58 3HG1 VAL 58 -0.803 -7.537 -4.317 446 HG21 VAL 58 3HG2 VAL 58 1.803 -6.079 -3.761 447 HG22 VAL 58 1HG2 VAL 58 1.343 -6.511 -2.114 448 HG23 VAL 58 2HG2 VAL 58 2.858 -7.107 -2.791 449 H GLU 59 H GLU 59 -2.197 -8.899 -2.706 450 HA GLU 59 HA GLU 59 -2.103 -11.482 -4.106 451 HB2 GLU 59 1HB GLU 59 -3.775 -10.729 -1.725 452 HB3 GLU 59 2HB GLU 59 -4.317 -11.965 -2.852 453 HG2 GLU 59 1HG GLU 59 -2.008 -13.034 -2.440 454 HG3 GLU 59 2HG GLU 59 -1.958 -11.993 -1.018 455 H MET 60 H MET 60 -2.225 -9.298 -5.590 456 HA MET 60 HA MET 60 -4.652 -8.037 -6.030 457 HB2 MET 60 1HB MET 60 -2.364 -8.724 -7.852 458 HB3 MET 60 2HB MET 60 -3.793 -7.908 -8.472 459 HG2 MET 60 1HG MET 60 -2.386 -6.809 -6.085 460 HG3 MET 60 2HG MET 60 -1.726 -6.538 -7.696 461 HE1 MET 60 3HE MET 60 -4.123 -4.439 -5.220 462 HE2 MET 60 1HE MET 60 -5.602 -5.156 -5.861 463 HE3 MET 60 2HE MET 60 -4.331 -6.191 -5.209 464 H HIS 61 H HIS 61 -3.865 -11.302 -6.479 465 HA HIS 61 HA HIS 61 -5.243 -12.179 -8.657 466 HB2 HIS 61 1HB HIS 61 -5.322 -13.479 -5.926 467 HB3 HIS 61 2HB HIS 61 -5.624 -14.278 -7.465 468 HD1 HIS 61 1HD HIS 61 -2.911 -13.182 -5.208 469 HD2 HIS 61 2HD HIS 61 -3.295 -14.672 -9.068 470 HE1 HIS 61 1HE HIS 61 -0.596 -13.893 -5.888 471 HE2 HIS 61 2HE HIS 61 -0.839 -14.712 -8.258 472 H ASN 62 H ASN 62 -6.639 -11.474 -5.464 473 HA ASN 62 HA ASN 62 -9.327 -11.873 -6.493 474 HB2 ASN 62 1HB ASN 62 -9.940 -11.194 -4.092 475 HB3 ASN 62 2HB ASN 62 -9.076 -12.714 -4.307 476 HD21 ASN 62 1HD2 ASN 62 -7.495 -13.032 -2.935 477 HD22 ASN 62 2HD2 ASN 62 -6.551 -11.811 -2.159 478 H TYR 63 H TYR 63 -7.467 -9.234 -4.991 479 HA TYR 63 HA TYR 63 -9.350 -7.221 -5.153 480 HB2 TYR 63 1HB TYR 63 -6.358 -6.982 -5.526 481 HB3 TYR 63 2HB TYR 63 -7.446 -5.646 -5.165 482 HD1 TYR 63 2HD TYR 63 -8.917 -5.980 -2.996 483 HD2 TYR 63 1HD TYR 63 -5.266 -8.022 -3.774 484 HE1 TYR 63 2HE TYR 63 -8.649 -6.407 -0.588 485 HE2 TYR 63 1HE TYR 63 -4.988 -8.455 -1.368 486 HH TYR 63 HH TYR 63 -7.491 -7.564 0.959 487 H VAL 64 H VAL 64 -10.335 -6.223 -6.775 488 HA VAL 64 HA VAL 64 -9.008 -6.110 -9.398 489 HB VAL 64 HB VAL 64 -11.910 -6.813 -8.934 490 HG11 VAL 64 1HG1 VAL 64 -10.586 -6.825 -11.610 491 HG12 VAL 64 2HG1 VAL 64 -12.296 -6.672 -11.202 492 HG13 VAL 64 3HG1 VAL 64 -11.203 -5.312 -10.948 493 HG21 VAL 64 3HG2 VAL 64 -11.384 -8.970 -9.233 494 HG22 VAL 64 1HG2 VAL 64 -10.248 -8.607 -10.532 495 HG23 VAL 64 2HG2 VAL 64 -9.735 -8.477 -8.850 496 HA PRO 65 HA PRO 65 -10.023 -1.823 -9.150 497 HB2 PRO 65 1HB PRO 65 -9.665 -1.190 -11.765 498 HB3 PRO 65 2HB PRO 65 -8.321 -1.497 -10.659 499 HG2 PRO 65 1HG PRO 65 -9.576 -3.327 -12.668 500 HG3 PRO 65 2HG PRO 65 -7.859 -3.074 -12.305 501 HD2 PRO 65 1HD PRO 65 -9.252 -5.192 -11.353 502 HD3 PRO 65 2HD PRO 65 -7.920 -4.442 -10.450 503 H ALA 66 H ALA 66 -11.961 -0.891 -9.047 504 HA ALA 66 HA ALA 66 -13.934 -1.482 -11.150 505 HB1 ALA 66 3HB ALA 66 -14.523 -2.777 -9.179 506 HB2 ALA 66 1HB ALA 66 -14.494 -1.316 -8.191 507 HB3 ALA 66 2HB ALA 66 -15.707 -1.500 -9.458 508 H ASN 67 H ASN 67 -15.848 0.138 -10.930 509 HA ASN 67 HA ASN 67 -14.727 2.819 -10.436 510 HB2 ASN 67 1HB ASN 67 -16.358 1.762 -12.716 511 HB3 ASN 67 2HB ASN 67 -16.499 3.460 -12.267 512 HD21 ASN 67 1HD2 ASN 67 -15.306 1.923 -14.601 513 HD22 ASN 67 2HD2 ASN 67 -13.738 2.621 -14.794 514 H SER 68 H SER 68 -16.042 1.425 -8.430 515 HA SER 68 HA SER 68 -18.334 3.171 -8.003 516 HB2 SER 68 1HB SER 68 -18.506 0.154 -7.845 517 HB3 SER 68 2HB SER 68 -19.732 1.253 -7.211 518 HG SER 68 HG SER 68 -20.054 0.401 -9.415 519 H LEU 69 H LEU 69 -18.382 3.924 -5.979 520 HA LEU 69 HA LEU 69 -16.350 3.608 -4.167 521 HB2 LEU 69 1HB LEU 69 -19.226 4.200 -3.486 522 HB3 LEU 69 2HB LEU 69 -17.818 4.590 -2.502 523 HG LEU 69 HG LEU 69 -18.364 5.766 -5.225 524 HD11 LEU 69 1HD1 LEU 69 -19.597 6.339 -2.726 525 HD12 LEU 69 2HD1 LEU 69 -19.807 7.151 -4.276 526 HD13 LEU 69 3HD1 LEU 69 -18.551 7.691 -3.162 527 HD21 LEU 69 3HD2 LEU 69 -15.994 5.596 -3.938 528 HD22 LEU 69 1HD2 LEU 69 -16.615 7.108 -3.276 529 HD23 LEU 69 2HD2 LEU 69 -16.439 6.915 -5.021 530 H GLN 70 H GLN 70 -19.457 1.884 -4.210 531 HA GLN 70 HA GLN 70 -19.356 0.424 -1.927 532 HB2 GLN 70 1HB GLN 70 -20.995 0.358 -3.995 533 HB3 GLN 70 2HB GLN 70 -20.033 -1.046 -4.438 534 HG2 GLN 70 1HG GLN 70 -20.779 -2.292 -2.678 535 HG3 GLN 70 2HG GLN 70 -21.094 -0.880 -1.670 536 HE21 GLN 70 1HE2 GLN 70 -22.252 -2.702 -4.446 537 HE22 GLN 70 2HE2 GLN 70 -23.908 -2.234 -4.296 538 H GLN 71 H GLN 71 -17.796 -0.514 -4.990 539 HA GLN 71 HA GLN 71 -16.549 -2.826 -3.942 540 HB2 GLN 71 1HB GLN 71 -16.961 -2.341 -6.374 541 HB3 GLN 71 2HB GLN 71 -15.634 -1.189 -6.309 542 HG2 GLN 71 1HG GLN 71 -14.749 -3.175 -7.208 543 HG3 GLN 71 2HG GLN 71 -14.169 -3.082 -5.546 544 HE21 GLN 71 1HE2 GLN 71 -13.845 -5.247 -5.277 545 HE22 GLN 71 2HE2 GLN 71 -15.127 -6.403 -5.230 546 H LYS 72 H LYS 72 -15.275 0.425 -4.641 547 HA LYS 72 HA LYS 72 -12.669 0.203 -3.968 548 HB2 LYS 72 1HB LYS 72 -14.518 2.430 -3.093 549 HB3 LYS 72 2HB LYS 72 -12.763 2.532 -3.140 550 HG2 LYS 72 1HG LYS 72 -14.450 1.959 -5.562 551 HG3 LYS 72 2HG LYS 72 -13.959 3.583 -5.073 552 HD2 LYS 72 1HD LYS 72 -11.758 3.225 -5.607 553 HD3 LYS 72 2HD LYS 72 -11.861 1.485 -5.326 554 HE2 LYS 72 1HE LYS 72 -13.128 1.216 -7.389 555 HE3 LYS 72 2HE LYS 72 -13.086 2.958 -7.658 556 HZ1 LYS 72 3HZ LYS 72 -11.326 2.340 -8.922 557 HZ2 LYS 72 1HZ LYS 72 -10.970 0.973 -7.991 558 HZ3 LYS 72 2HZ LYS 72 -10.509 2.507 -7.450 559 H LEU 73 H LEU 73 -15.150 1.069 -1.550 560 HA LEU 73 HA LEU 73 -13.516 0.802 0.692 561 HB2 LEU 73 1HB LEU 73 -16.469 0.662 0.253 562 HB3 LEU 73 2HB LEU 73 -15.799 0.296 1.842 563 HG LEU 73 HG LEU 73 -15.222 2.888 0.433 564 HD11 LEU 73 1HD1 LEU 73 -17.306 3.570 0.741 565 HD12 LEU 73 2HD1 LEU 73 -17.128 3.286 2.472 566 HD13 LEU 73 3HD1 LEU 73 -17.746 2.006 1.428 567 HD21 LEU 73 3HD2 LEU 73 -14.091 1.779 2.631 568 HD22 LEU 73 1HD2 LEU 73 -15.406 2.701 3.359 569 HD23 LEU 73 2HD2 LEU 73 -14.216 3.515 2.343 570 H SER 74 H SER 74 -15.756 -1.565 -0.741 571 HA SER 74 HA SER 74 -15.565 -3.657 0.968 572 HB2 SER 74 1HB SER 74 -16.887 -3.694 -1.119 573 HB3 SER 74 2HB SER 74 -15.401 -3.880 -2.048 574 HG SER 74 HG SER 74 -16.784 -5.726 -0.516 575 H ASN 75 H ASN 75 -13.294 -3.112 -1.730 576 HA ASN 75 HA ASN 75 -11.533 -5.179 -1.180 577 HB2 ASN 75 1HB ASN 75 -10.995 -2.454 -2.376 578 HB3 ASN 75 2HB ASN 75 -9.826 -3.771 -2.373 579 HD21 ASN 75 1HD2 ASN 75 -10.397 -2.840 -4.746 580 HD22 ASN 75 2HD2 ASN 75 -11.459 -3.884 -5.623 581 H TRP 76 H TRP 76 -11.292 -1.785 -0.116 582 HA TRP 76 HA TRP 76 -8.997 -1.822 1.330 583 HB2 TRP 76 1HB TRP 76 -11.589 -0.396 1.685 584 HB3 TRP 76 2HB TRP 76 -10.418 -0.305 2.997 585 HD1 TRP 76 HD TRP 76 -11.239 1.207 -0.309 586 HE1 TRP 76 1HE TRP 76 -9.405 2.877 -0.997 587 HE3 TRP 76 3HE TRP 76 -7.693 -0.004 3.169 588 HZ2 TRP 76 2HZ TRP 76 -6.799 3.586 -0.174 589 HZ3 TRP 76 3HZ TRP 76 -5.557 1.217 3.150 590 HH2 TRP 76 HH TRP 76 -5.121 2.974 1.512 591 H GLY 77 H GLY 77 -12.178 -2.475 2.824 592 HA2 GLY 77 1HA GLY 77 -11.447 -3.265 5.307 593 HA3 GLY 77 2HA GLY 77 -12.756 -4.040 4.426 594 H HIS 78 H HIS 78 -11.289 -5.299 2.407 595 HA HIS 78 HA HIS 78 -10.409 -7.623 3.793 596 HB2 HIS 78 1HB HIS 78 -9.926 -7.041 0.874 597 HB3 HIS 78 2HB HIS 78 -10.115 -8.609 1.653 598 HD1 HIS 78 1HD HIS 78 -11.855 -7.737 -0.766 599 HD2 HIS 78 2HD HIS 78 -12.980 -7.373 3.217 600 HE1 HIS 78 1HE HIS 78 -14.369 -7.661 -0.781 601 HE2 HIS 78 2HE HIS 78 -15.023 -7.355 1.632 602 H LEU 79 H LEU 79 -8.761 -5.019 2.068 603 HA LEU 79 HA LEU 79 -6.163 -6.152 2.244 604 HB2 LEU 79 1HB LEU 79 -7.000 -4.307 0.687 605 HB3 LEU 79 2HB LEU 79 -6.761 -3.215 2.049 606 HG LEU 79 HG LEU 79 -4.332 -4.190 2.022 607 HD11 LEU 79 1HD1 LEU 79 -5.226 -4.674 -0.816 608 HD12 LEU 79 2HD1 LEU 79 -4.767 -5.912 0.352 609 HD13 LEU 79 3HD1 LEU 79 -3.566 -4.756 -0.224 610 HD21 LEU 79 3HD2 LEU 79 -3.853 -2.466 0.113 611 HD22 LEU 79 1HD2 LEU 79 -4.482 -1.924 1.669 612 HD23 LEU 79 2HD2 LEU 79 -5.569 -2.099 0.292 613 H ASN 80 H ASN 80 -8.182 -4.776 4.560 614 HA ASN 80 HA ASN 80 -6.126 -3.621 6.215 615 HB2 ASN 80 1HB ASN 80 -8.421 -2.738 6.258 616 HB3 ASN 80 2HB ASN 80 -9.009 -4.287 6.853 617 HD21 ASN 80 1HD2 ASN 80 -8.506 -1.315 7.828 618 HD22 ASN 80 2HD2 ASN 80 -8.004 -1.568 9.462 619 H ARG 81 H ARG 81 -7.823 -6.675 5.979 620 HA ARG 81 HA ARG 81 -6.391 -7.663 8.347 621 HB2 ARG 81 1HB ARG 81 -8.844 -8.653 6.902 622 HB3 ARG 81 2HB ARG 81 -7.995 -9.632 8.091 623 HG2 ARG 81 1HG ARG 81 -8.305 -7.498 9.591 624 HG3 ARG 81 2HG ARG 81 -9.629 -7.179 8.469 625 HD2 ARG 81 1HD ARG 81 -10.504 -9.453 8.937 626 HD3 ARG 81 2HD ARG 81 -9.235 -9.655 10.144 627 HE ARG 81 HE ARG 81 -10.438 -8.339 11.581 628 HH11 ARG 81 1HH1 ARG 81 -11.697 -7.962 8.357 629 HH12 ARG 81 2HH1 ARG 81 -13.071 -7.036 8.862 630 HH21 ARG 81 1HH2 ARG 81 -12.244 -7.121 12.258 631 HH22 ARG 81 2HH2 ARG 81 -13.381 -6.558 11.081 632 H LYS 82 H LYS 82 -6.004 -7.509 5.103 633 HA LYS 82 HA LYS 82 -4.748 -10.164 4.915 634 HB2 LYS 82 1HB LYS 82 -5.968 -8.329 2.891 635 HB3 LYS 82 2HB LYS 82 -4.709 -9.447 2.383 636 HG2 LYS 82 1HG LYS 82 -6.252 -11.173 3.681 637 HG3 LYS 82 2HG LYS 82 -7.486 -9.982 3.261 638 HD2 LYS 82 1HD LYS 82 -6.548 -10.120 0.884 639 HD3 LYS 82 2HD LYS 82 -5.719 -11.579 1.429 640 HE2 LYS 82 1HE LYS 82 -7.646 -12.504 0.624 641 HE3 LYS 82 2HE LYS 82 -8.132 -12.207 2.293 642 HZ1 LYS 82 3HZ LYS 82 -9.266 -11.188 -0.066 643 HZ2 LYS 82 1HZ LYS 82 -8.660 -9.892 0.837 644 HZ3 LYS 82 2HZ LYS 82 -9.773 -10.958 1.532 645 H VAL 83 H VAL 83 -4.198 -6.728 4.695 646 HA VAL 83 HA VAL 83 -1.341 -7.242 4.181 647 HB VAL 83 HB VAL 83 -3.001 -4.807 3.530 648 HG11 VAL 83 1HG1 VAL 83 -0.884 -4.024 4.343 649 HG12 VAL 83 2HG1 VAL 83 -0.017 -5.205 3.360 650 HG13 VAL 83 3HG1 VAL 83 -0.892 -3.883 2.586 651 HG21 VAL 83 3HG2 VAL 83 -1.894 -5.405 1.226 652 HG22 VAL 83 1HG2 VAL 83 -1.759 -7.008 1.949 653 HG23 VAL 83 2HG2 VAL 83 -3.342 -6.250 1.774 654 H LEU 84 H LEU 84 -3.148 -4.479 5.508 655 HA LEU 84 HA LEU 84 -1.313 -3.497 7.236 656 HB2 LEU 84 1HB LEU 84 -4.214 -3.784 7.980 657 HB3 LEU 84 2HB LEU 84 -3.087 -2.538 8.513 658 HG LEU 84 HG LEU 84 -4.197 -2.870 5.726 659 HD11 LEU 84 1HD1 LEU 84 -5.485 -1.841 7.860 660 HD12 LEU 84 2HD1 LEU 84 -5.723 -1.288 6.203 661 HD13 LEU 84 3HD1 LEU 84 -4.636 -0.409 7.278 662 HD21 LEU 84 3HD2 LEU 84 -2.382 -1.756 5.074 663 HD22 LEU 84 1HD2 LEU 84 -1.874 -1.459 6.736 664 HD23 LEU 84 2HD2 LEU 84 -3.026 -0.373 5.960 665 H LYS 85 H LYS 85 -3.728 -5.967 8.123 666 HA LYS 85 HA LYS 85 -3.087 -6.476 10.704 667 HB2 LYS 85 1HB LYS 85 -4.828 -7.773 9.882 668 HB3 LYS 85 2HB LYS 85 -3.916 -8.285 8.468 669 HG2 LYS 85 1HG LYS 85 -2.878 -9.983 9.576 670 HG3 LYS 85 2HG LYS 85 -2.952 -9.160 11.136 671 HD2 LYS 85 1HD LYS 85 -5.485 -9.521 10.991 672 HD3 LYS 85 2HD LYS 85 -5.118 -10.670 9.702 673 HE2 LYS 85 1HE LYS 85 -3.538 -11.785 11.335 674 HE3 LYS 85 2HE LYS 85 -4.259 -10.772 12.585 675 HZ1 LYS 85 3HZ LYS 85 -6.405 -11.743 12.104 676 HZ2 LYS 85 1HZ LYS 85 -5.293 -12.963 12.471 677 HZ3 LYS 85 2HZ LYS 85 -5.744 -12.685 10.865 678 H ARG 86 H ARG 86 -1.332 -7.665 7.867 679 HA ARG 86 HA ARG 86 0.537 -9.222 9.331 680 HB2 ARG 86 1HB ARG 86 0.764 -8.031 6.560 681 HB3 ARG 86 2HB ARG 86 1.821 -9.269 7.227 682 HG2 ARG 86 1HG ARG 86 -1.108 -9.781 7.163 683 HG3 ARG 86 2HG ARG 86 -0.189 -9.889 5.660 684 HD2 ARG 86 1HD ARG 86 1.427 -11.340 7.148 685 HD3 ARG 86 2HD ARG 86 -0.028 -11.565 8.118 686 HE ARG 86 HE ARG 86 0.549 -12.763 5.601 687 HH11 ARG 86 1HH1 ARG 86 -2.042 -11.533 7.575 688 HH12 ARG 86 2HH1 ARG 86 -3.247 -12.547 6.854 689 HH21 ARG 86 1HH2 ARG 86 -1.030 -14.103 4.644 690 HH22 ARG 86 2HH2 ARG 86 -2.671 -14.009 5.187 691 H LEU 87 H LEU 87 0.477 -5.887 8.220 692 HA LEU 87 HA LEU 87 3.198 -5.400 9.090 693 HB2 LEU 87 1HB LEU 87 1.065 -3.588 7.979 694 HB3 LEU 87 2HB LEU 87 2.679 -3.044 8.430 695 HG LEU 87 HG LEU 87 2.359 -5.239 6.425 696 HD11 LEU 87 1HD1 LEU 87 1.832 -2.324 6.010 697 HD12 LEU 87 2HD1 LEU 87 0.944 -3.719 5.399 698 HD13 LEU 87 3HD1 LEU 87 2.518 -3.308 4.717 699 HD21 LEU 87 3HD2 LEU 87 4.543 -4.216 7.559 700 HD22 LEU 87 1HD2 LEU 87 4.360 -3.063 6.236 701 HD23 LEU 87 2HD2 LEU 87 4.518 -4.785 5.889 702 H ASN 88 H ASN 88 1.194 -6.254 11.054 703 HA ASN 88 HA ASN 88 0.324 -5.679 13.097 704 HB2 ASN 88 1HB ASN 88 2.835 -4.022 13.340 705 HB3 ASN 88 2HB ASN 88 1.966 -4.867 14.618 706 HD21 ASN 88 1HD2 ASN 88 1.565 -7.321 13.509 707 HD22 ASN 88 2HD2 ASN 88 3.083 -8.103 13.247 708 H PHE 89 H PHE 89 -0.320 -3.843 10.847 709 HA PHE 89 HA PHE 89 -0.636 -1.300 12.270 710 HB2 PHE 89 1HB PHE 89 0.256 -1.585 9.811 711 HB3 PHE 89 2HB PHE 89 -1.457 -1.690 9.419 712 HD1 PHE 89 1HD PHE 89 0.745 0.438 11.559 713 HD2 PHE 89 2HD PHE 89 -2.426 0.260 8.724 714 HE1 PHE 89 1HE PHE 89 0.598 2.894 11.574 715 HE2 PHE 89 2HE PHE 89 -2.577 2.716 8.735 716 HZ PHE 89 HZ PHE 89 -1.064 4.036 10.160 717 H SER 90 H SER 90 -2.792 -0.152 11.611 718 HA SER 90 HA SER 90 -5.088 -1.809 11.249 719 HB2 SER 90 1HB SER 90 -4.666 -0.635 14.008 720 HB3 SER 90 2HB SER 90 -6.100 -1.500 13.454 721 HG SER 90 HG SER 90 -4.418 -3.234 12.970 722 H VAL 91 H VAL 91 -6.661 -0.616 10.380 723 HA VAL 91 HA VAL 91 -6.657 2.288 10.876 724 HB VAL 91 HB VAL 91 -6.855 0.845 8.248 725 HG11 VAL 91 1HG1 VAL 91 -7.646 2.900 7.209 726 HG12 VAL 91 2HG1 VAL 91 -8.806 2.320 8.406 727 HG13 VAL 91 3HG1 VAL 91 -7.745 3.676 8.790 728 HG21 VAL 91 3HG2 VAL 91 -5.187 3.092 9.346 729 HG22 VAL 91 1HG2 VAL 91 -4.653 1.527 8.732 730 HG23 VAL 91 2HG2 VAL 91 -5.283 2.743 7.620 731 HA PRO 92 HA PRO 92 -10.888 1.577 11.956 732 HB2 PRO 92 1HB PRO 92 -11.667 4.177 12.036 733 HB3 PRO 92 2HB PRO 92 -10.685 3.429 13.301 734 HG2 PRO 92 1HG PRO 92 -9.828 5.159 11.013 735 HG3 PRO 92 2HG PRO 92 -9.299 5.198 12.705 736 HD2 PRO 92 1HD PRO 92 -7.836 4.031 10.748 737 HD3 PRO 92 2HD PRO 92 -7.839 3.436 12.421 738 H ASP 93 H ASP 93 -13.059 2.058 11.136 739 HA ASP 93 HA ASP 93 -13.122 1.950 8.266 740 HB2 ASP 93 1HB ASP 93 -14.646 0.553 9.537 741 HB3 ASP 93 2HB ASP 93 -15.344 1.969 10.318 742 H ASP 94 H ASP 94 -13.386 4.407 10.628 743 HA ASP 94 HA ASP 94 -15.011 6.223 9.140 744 HB2 ASP 94 1HB ASP 94 -13.103 6.701 11.439 745 HB3 ASP 94 2HB ASP 94 -14.214 7.904 10.791 746 H VAL 95 H VAL 95 -11.580 5.563 9.355 747 HA VAL 95 HA VAL 95 -10.816 7.909 7.863 748 HB VAL 95 HB VAL 95 -9.309 5.508 8.863 749 HG11 VAL 95 1HG1 VAL 95 -7.259 6.501 7.938 750 HG12 VAL 95 2HG1 VAL 95 -8.387 6.009 6.673 751 HG13 VAL 95 3HG1 VAL 95 -8.234 7.712 7.106 752 HG21 VAL 95 3HG2 VAL 95 -8.381 8.224 9.450 753 HG22 VAL 95 1HG2 VAL 95 -9.992 7.856 10.067 754 HG23 VAL 95 2HG2 VAL 95 -8.620 6.848 10.527 755 H MET 96 H MET 96 -11.580 4.579 7.185 756 HA MET 96 HA MET 96 -10.413 4.456 4.598 757 HB2 MET 96 1HB MET 96 -12.600 2.840 5.909 758 HB3 MET 96 2HB MET 96 -11.971 2.488 4.306 759 HG2 MET 96 1HG MET 96 -9.674 2.411 5.475 760 HG3 MET 96 2HG MET 96 -10.614 2.253 6.956 761 HE1 MET 96 3HE MET 96 -11.413 -0.198 7.822 762 HE2 MET 96 1HE MET 96 -10.308 -1.398 7.151 763 HE3 MET 96 2HE MET 96 -9.693 0.168 7.679 764 H ARG 97 H ARG 97 -13.751 5.007 5.706 765 HA ARG 97 HA ARG 97 -15.057 5.237 3.314 766 HB2 ARG 97 1HB ARG 97 -16.761 6.281 4.459 767 HB3 ARG 97 2HB ARG 97 -15.873 5.551 5.790 768 HG2 ARG 97 1HG ARG 97 -14.815 7.645 6.305 769 HG3 ARG 97 2HG ARG 97 -15.531 8.399 4.879 770 HD2 ARG 97 1HD ARG 97 -17.655 8.430 5.804 771 HD3 ARG 97 2HD ARG 97 -17.283 7.142 6.949 772 HE ARG 97 HE ARG 97 -16.578 8.731 8.425 773 HH11 ARG 97 1HH1 ARG 97 -16.580 10.103 5.225 774 HH12 ARG 97 2HH1 ARG 97 -16.193 11.702 5.769 775 HH21 ARG 97 1HH2 ARG 97 -16.068 10.832 9.153 776 HH22 ARG 97 2HH2 ARG 97 -15.901 12.115 8.003 777 H LYS 98 H LYS 98 -13.276 7.808 5.002 778 HA LYS 98 HA LYS 98 -13.763 9.888 3.224 779 HB2 LYS 98 1HB LYS 98 -11.369 9.303 4.966 780 HB3 LYS 98 2HB LYS 98 -11.548 10.798 4.058 781 HG2 LYS 98 1HG LYS 98 -13.295 11.543 5.368 782 HG3 LYS 98 2HG LYS 98 -13.711 9.918 5.919 783 HD2 LYS 98 1HD LYS 98 -11.514 9.885 7.143 784 HD3 LYS 98 2HD LYS 98 -11.347 11.596 6.744 785 HE2 LYS 98 1HE LYS 98 -13.837 10.613 8.071 786 HE3 LYS 98 2HE LYS 98 -12.381 10.875 9.029 787 HZ1 LYS 98 3HZ LYS 98 -14.106 12.816 7.704 788 HZ2 LYS 98 1HZ LYS 98 -12.447 13.152 7.709 789 HZ3 LYS 98 2HZ LYS 98 -13.270 12.934 9.170 790 H ILE 99 H ILE 99 -11.008 7.628 3.264 791 HA ILE 99 HA ILE 99 -9.628 8.548 1.067 792 HB ILE 99 HB ILE 99 -10.003 5.652 1.837 793 HG12 ILE 99 1HG1 ILE 99 -7.729 7.466 2.626 794 HG13 ILE 99 2HG1 ILE 99 -9.171 7.295 3.619 795 HG21 ILE 99 1HG2 ILE 99 -8.925 6.466 -0.453 796 HG22 ILE 99 2HG2 ILE 99 -7.514 6.661 0.585 797 HG23 ILE 99 3HG2 ILE 99 -8.295 5.086 0.446 798 HD11 ILE 99 3HD1 ILE 99 -6.970 5.384 3.118 799 HD12 ILE 99 1HD1 ILE 99 -7.854 5.738 4.602 800 HD13 ILE 99 2HD1 ILE 99 -8.589 4.728 3.357 801 H ALA 100 H ALA 100 -12.098 5.973 1.049 802 HA ALA 100 HA ALA 100 -12.196 5.606 -1.714 803 HB1 ALA 100 3HB ALA 100 -13.630 4.016 -1.130 804 HB2 ALA 100 1HB ALA 100 -13.562 4.612 0.529 805 HB3 ALA 100 2HB ALA 100 -14.797 5.217 -0.576 806 H GLN 101 H GLN 101 -13.506 8.121 0.267 807 HA GLN 101 HA GLN 101 -15.389 9.040 -1.722 808 HB2 GLN 101 1HB GLN 101 -14.598 9.864 1.024 809 HB3 GLN 101 2HB GLN 101 -15.296 11.096 -0.018 810 HG2 GLN 101 1HG GLN 101 -16.611 8.443 0.480 811 HG3 GLN 101 2HG GLN 101 -16.897 9.865 1.482 812 HE21 GLN 101 1HE2 GLN 101 -18.354 8.151 -0.713 813 HE22 GLN 101 2HE2 GLN 101 -19.163 9.364 -1.639 814 H CYS 102 H CYS 102 -12.198 9.031 -1.778 815 HA CYS 102 HA CYS 102 -10.606 10.210 -2.894 816 HB2 CYS 102 1HB CYS 102 -12.640 10.370 -4.527 817 HB3 CYS 102 2HB CYS 102 -12.699 12.049 -4.004 818 HG CYS 102 HG CYS 102 -10.436 10.495 -5.962 819 H ALA 103 H ALA 103 -10.812 10.898 -0.323 820 HA ALA 103 HA ALA 103 -10.939 13.822 -0.185 821 HB1 ALA 103 3HB ALA 103 -10.663 13.360 2.314 822 HB2 ALA 103 1HB ALA 103 -12.183 12.880 1.559 823 HB3 ALA 103 2HB ALA 103 -10.948 11.668 1.905 824 HA PRO 104 HA PRO 104 -6.491 13.863 -0.525 825 HB2 PRO 104 1HB PRO 104 -6.230 16.556 -0.307 826 HB3 PRO 104 2HB PRO 104 -6.758 15.759 -1.794 827 HG2 PRO 104 1HG PRO 104 -8.398 17.102 0.320 828 HG3 PRO 104 2HG PRO 104 -8.554 17.194 -1.444 829 HD2 PRO 104 1HD PRO 104 -10.145 15.618 0.079 830 HD3 PRO 104 2HD PRO 104 -9.673 15.183 -1.576 831 H GLY 105 H GLY 105 -5.016 13.559 1.026 832 HA2 GLY 105 1HA GLY 105 -3.831 14.429 2.959 833 HA3 GLY 105 2HA GLY 105 -5.379 14.962 3.596 834 H VAL 106 H VAL 106 -7.006 13.031 3.791 835 HA VAL 106 HA VAL 106 -6.302 11.429 5.865 836 HB VAL 106 HB VAL 106 -8.123 10.361 3.724 837 HG11 VAL 106 1HG1 VAL 106 -8.815 8.945 5.296 838 HG12 VAL 106 2HG1 VAL 106 -7.442 9.479 6.266 839 HG13 VAL 106 3HG1 VAL 106 -9.019 10.242 6.472 840 HG21 VAL 106 3HG2 VAL 106 -9.085 12.417 3.786 841 HG22 VAL 106 1HG2 VAL 106 -9.838 11.744 5.232 842 HG23 VAL 106 2HG2 VAL 106 -8.431 12.798 5.378 843 H VAL 107 H VAL 107 -6.352 10.309 2.475 844 HA VAL 107 HA VAL 107 -5.271 7.803 2.836 845 HB VAL 107 HB VAL 107 -6.134 8.531 0.682 846 HG11 VAL 107 1HG1 VAL 107 -3.628 10.163 0.334 847 HG12 VAL 107 2HG1 VAL 107 -5.034 10.091 -0.730 848 HG13 VAL 107 3HG1 VAL 107 -5.166 10.850 0.857 849 HG21 VAL 107 3HG2 VAL 107 -4.002 6.881 1.079 850 HG22 VAL 107 1HG2 VAL 107 -4.852 7.081 -0.454 851 HG23 VAL 107 2HG2 VAL 107 -3.373 7.989 -0.141 852 H GLU 108 H GLU 108 -3.501 10.824 2.187 853 HA GLU 108 HA GLU 108 -0.926 9.836 2.134 854 HB2 GLU 108 1HB GLU 108 -2.119 12.459 2.901 855 HB3 GLU 108 2HB GLU 108 -0.422 12.182 3.268 856 HG2 GLU 108 1HG GLU 108 -0.206 13.105 1.212 857 HG3 GLU 108 2HG GLU 108 -0.367 11.413 0.744 858 H LEU 109 H LEU 109 -2.767 10.938 4.970 859 HA LEU 109 HA LEU 109 -0.859 10.612 6.929 860 HB2 LEU 109 1HB LEU 109 -3.815 10.047 7.081 861 HB3 LEU 109 2HB LEU 109 -2.751 10.191 8.479 862 HG LEU 109 HG LEU 109 -3.287 12.406 6.501 863 HD11 LEU 109 1HD1 LEU 109 -4.281 12.688 9.233 864 HD12 LEU 109 2HD1 LEU 109 -5.082 11.417 8.308 865 HD13 LEU 109 3HD1 LEU 109 -5.055 13.071 7.695 866 HD21 LEU 109 3HD2 LEU 109 -1.913 12.392 9.187 867 HD22 LEU 109 1HD2 LEU 109 -2.241 13.819 8.203 868 HD23 LEU 109 2HD2 LEU 109 -1.129 12.581 7.618 869 H VAL 110 H VAL 110 -2.396 8.202 5.042 870 HA VAL 110 HA VAL 110 -1.717 6.057 6.901 871 HB VAL 110 HB VAL 110 -2.893 5.690 4.155 872 HG11 VAL 110 1HG1 VAL 110 -2.049 3.705 5.331 873 HG12 VAL 110 2HG1 VAL 110 -3.118 4.066 6.688 874 HG13 VAL 110 3HG1 VAL 110 -3.798 3.651 5.114 875 HG21 VAL 110 3HG2 VAL 110 -4.155 6.788 6.592 876 HG22 VAL 110 1HG2 VAL 110 -4.565 7.026 4.893 877 HG23 VAL 110 2HG2 VAL 110 -5.065 5.553 5.723 878 H LEU 111 H LEU 111 -0.582 7.537 3.976 879 HA LEU 111 HA LEU 111 1.102 5.381 3.149 880 HB2 LEU 111 1HB LEU 111 1.181 8.308 2.434 881 HB3 LEU 111 2HB LEU 111 2.091 7.036 1.624 882 HG LEU 111 HG LEU 111 -0.917 7.273 1.673 883 HD11 LEU 111 1HD1 LEU 111 -0.148 7.517 -0.919 884 HD12 LEU 111 2HD1 LEU 111 1.153 8.371 -0.090 885 HD13 LEU 111 3HD1 LEU 111 -0.522 8.870 0.150 886 HD21 LEU 111 3HD2 LEU 111 0.980 5.230 0.643 887 HD22 LEU 111 1HD2 LEU 111 -0.459 5.592 -0.311 888 HD23 LEU 111 2HD2 LEU 111 -0.622 5.032 1.354 889 H ILE 112 H ILE 112 1.526 8.287 5.091 890 HA ILE 112 HA ILE 112 4.296 8.346 5.282 891 HB ILE 112 HB ILE 112 2.075 9.313 6.994 892 HG12 ILE 112 1HG1 ILE 112 4.601 10.701 6.100 893 HG13 ILE 112 2HG1 ILE 112 3.181 10.561 5.070 894 HG21 ILE 112 1HG2 ILE 112 3.926 10.173 8.596 895 HG22 ILE 112 2HG2 ILE 112 3.300 8.537 8.795 896 HG23 ILE 112 3HG2 ILE 112 4.846 8.797 7.988 897 HD11 ILE 112 3HD1 ILE 112 3.102 12.692 6.081 898 HD12 ILE 112 1HD1 ILE 112 1.884 11.704 6.888 899 HD13 ILE 112 2HD1 ILE 112 3.427 12.023 7.680 900 HA PRO 113 HA PRO 113 3.997 5.486 9.167 901 HB2 PRO 113 1HB PRO 113 1.621 4.252 9.621 902 HB3 PRO 113 2HB PRO 113 2.023 5.839 10.289 903 HG2 PRO 113 1HG PRO 113 0.381 5.157 7.881 904 HG3 PRO 113 2HG PRO 113 0.069 6.364 9.142 905 HD2 PRO 113 1HD PRO 113 1.088 7.018 6.720 906 HD3 PRO 113 2HD PRO 113 1.506 7.902 8.202 907 H LEU 114 H LEU 114 1.807 4.432 6.566 908 HA LEU 114 HA LEU 114 2.137 1.737 6.588 909 HB2 LEU 114 1HB LEU 114 0.694 2.702 4.985 910 HB3 LEU 114 2HB LEU 114 2.004 3.631 4.259 911 HG LEU 114 HG LEU 114 2.928 1.186 3.752 912 HD11 LEU 114 1HD1 LEU 114 1.374 -0.273 4.548 913 HD12 LEU 114 2HD1 LEU 114 0.709 -0.007 2.937 914 HD13 LEU 114 3HD1 LEU 114 0.035 0.853 4.322 915 HD21 LEU 114 3HD2 LEU 114 1.458 3.194 2.324 916 HD22 LEU 114 1HD2 LEU 114 1.048 1.592 1.712 917 HD23 LEU 114 2HD2 LEU 114 2.731 2.117 1.747 918 H ARG 115 H ARG 115 4.318 4.044 4.976 919 HA ARG 115 HA ARG 115 6.170 2.128 4.072 920 HB2 ARG 115 1HB ARG 115 6.146 4.339 3.113 921 HB3 ARG 115 2HB ARG 115 6.496 5.069 4.674 922 HG2 ARG 115 1HG ARG 115 8.402 3.133 3.419 923 HG3 ARG 115 2HG ARG 115 8.397 4.839 2.966 924 HD2 ARG 115 1HD ARG 115 8.478 5.214 5.555 925 HD3 ARG 115 2HD ARG 115 9.100 3.564 5.571 926 HE ARG 115 HE ARG 115 10.585 4.911 3.683 927 HH11 ARG 115 1HH1 ARG 115 9.946 5.213 7.092 928 HH12 ARG 115 2HH1 ARG 115 11.487 5.919 7.451 929 HH21 ARG 115 1HH2 ARG 115 12.617 5.841 4.143 930 HH22 ARG 115 2HH2 ARG 115 13.005 6.277 5.773 931 H GLN 116 H GLN 116 6.080 4.110 7.011 932 HA GLN 116 HA GLN 116 8.538 3.438 8.094 933 HB2 GLN 116 1HB GLN 116 5.899 4.115 9.369 934 HB3 GLN 116 2HB GLN 116 7.326 3.778 10.341 935 HG2 GLN 116 1HG GLN 116 8.508 5.613 9.280 936 HG3 GLN 116 2HG GLN 116 7.113 5.933 8.251 937 HE21 GLN 116 1HE2 GLN 116 6.660 7.957 8.954 938 HE22 GLN 116 2HE2 GLN 116 6.148 8.329 10.561 939 H ARG 117 H ARG 117 5.629 1.552 7.864 940 HA ARG 117 HA ARG 117 6.486 -0.432 9.777 941 HB2 ARG 117 1HB ARG 117 4.241 -0.582 7.758 942 HB3 ARG 117 2HB ARG 117 4.470 -1.631 9.150 943 HG2 ARG 117 1HG ARG 117 4.132 1.325 9.483 944 HG3 ARG 117 2HG ARG 117 2.741 0.253 9.307 945 HD2 ARG 117 1HD ARG 117 3.001 0.378 11.606 946 HD3 ARG 117 2HD ARG 117 3.852 -1.111 11.199 947 HE ARG 117 HE ARG 117 5.695 0.987 11.144 948 HH11 ARG 117 1HH1 ARG 117 3.707 -0.724 13.433 949 HH12 ARG 117 2HH1 ARG 117 4.784 -0.459 14.764 950 HH21 ARG 117 1HH2 ARG 117 7.121 1.342 12.888 951 HH22 ARG 117 2HH2 ARG 117 6.725 0.717 14.453 952 H LEU 118 H LEU 118 5.867 -0.483 6.261 953 HA LEU 118 HA LEU 118 6.738 -2.968 5.608 954 HB2 LEU 118 1HB LEU 118 7.229 -0.388 4.135 955 HB3 LEU 118 2HB LEU 118 7.528 -1.981 3.443 956 HG LEU 118 HG LEU 118 4.809 -1.262 4.473 957 HD11 LEU 118 1HD1 LEU 118 4.713 0.412 2.996 958 HD12 LEU 118 2HD1 LEU 118 4.637 -0.860 1.777 959 HD13 LEU 118 3HD1 LEU 118 6.182 -0.105 2.169 960 HD21 LEU 118 3HD2 LEU 118 5.985 -3.260 2.580 961 HD22 LEU 118 1HD2 LEU 118 4.283 -2.811 2.469 962 HD23 LEU 118 2HD2 LEU 118 4.913 -3.520 3.957 963 H GLU 119 H GLU 119 8.796 -0.116 6.092 964 HA GLU 119 HA GLU 119 11.243 -1.345 5.470 965 HB2 GLU 119 1HB GLU 119 10.521 1.034 7.165 966 HB3 GLU 119 2HB GLU 119 12.188 0.510 6.982 967 HG2 GLU 119 1HG GLU 119 10.452 1.088 4.610 968 HG3 GLU 119 2HG GLU 119 11.342 2.359 5.447 969 H GLU 120 H GLU 120 9.581 -0.915 8.578 970 HA GLU 120 HA GLU 120 11.496 -1.970 10.271 971 HB2 GLU 120 1HB GLU 120 9.512 -0.916 11.148 972 HB3 GLU 120 2HB GLU 120 8.486 -2.149 10.429 973 HG2 GLU 120 1HG GLU 120 9.431 -3.827 11.912 974 HG3 GLU 120 2HG GLU 120 10.503 -2.616 12.614 975 H ARG 121 H ARG 121 8.880 -3.703 8.592 976 HA ARG 121 HA ARG 121 9.487 -6.263 9.540 977 HB2 ARG 121 1HB ARG 121 8.120 -5.279 7.046 978 HB3 ARG 121 2HB ARG 121 8.349 -6.996 7.346 979 HG2 ARG 121 1HG ARG 121 7.089 -5.323 9.461 980 HG3 ARG 121 2HG ARG 121 6.139 -5.787 8.048 981 HD2 ARG 121 1HD ARG 121 5.700 -7.508 9.531 982 HD3 ARG 121 2HD ARG 121 7.008 -8.173 8.553 983 HE ARG 121 HE ARG 121 8.030 -6.853 10.845 984 HH11 ARG 121 1HH1 ARG 121 6.432 -9.773 9.825 985 HH12 ARG 121 2HH1 ARG 121 7.069 -10.730 11.122 986 HH21 ARG 121 1HH2 ARG 121 8.874 -8.102 12.557 987 HH22 ARG 121 2HH2 ARG 121 8.457 -9.778 12.676 988 H GLN 122 H GLN 122 10.752 -4.451 6.796 989 HA GLN 122 HA GLN 122 12.063 -6.337 5.341 990 HB2 GLN 122 1HB GLN 122 12.035 -3.719 5.174 991 HB3 GLN 122 2HB GLN 122 13.549 -3.841 6.061 992 HG2 GLN 122 1HG GLN 122 14.178 -3.757 3.819 993 HG3 GLN 122 2HG GLN 122 14.295 -5.462 4.251 994 HE21 GLN 122 1HE2 GLN 122 13.829 -3.995 1.672 995 HE22 GLN 122 2HE2 GLN 122 12.424 -4.741 0.999 996 H ARG 123 H ARG 123 13.760 -4.501 7.884 997 HA ARG 123 HA ARG 123 15.913 -6.313 8.050 998 HB2 ARG 123 1HB ARG 123 16.586 -5.075 10.024 999 HB3 ARG 123 2HB ARG 123 16.039 -3.958 8.781 1000 HG2 ARG 123 1HG ARG 123 13.751 -4.162 10.043 1001 HG3 ARG 123 2HG ARG 123 14.785 -4.664 11.383 1002 HD2 ARG 123 1HD ARG 123 15.542 -2.226 9.861 1003 HD3 ARG 123 2HD ARG 123 14.170 -2.122 10.962 1004 HE ARG 123 HE ARG 123 16.886 -2.134 11.689 1005 HH11 ARG 123 1HH1 ARG 123 13.834 -3.502 12.653 1006 HH12 ARG 123 2HH1 ARG 123 14.278 -3.647 14.322 1007 HH21 ARG 123 1HH2 ARG 123 17.483 -2.319 13.882 1008 HH22 ARG 123 2HH2 ARG 123 16.353 -2.973 15.020 1009 H ARG 124 H ARG 124 12.976 -5.933 9.993 1010 HA ARG 124 HA ARG 124 13.586 -7.868 11.940 1011 HB2 ARG 124 1HB ARG 124 11.100 -6.533 10.980 1012 HB3 ARG 124 2HB ARG 124 10.928 -7.975 11.972 1013 HG2 ARG 124 1HG ARG 124 12.629 -6.709 13.527 1014 HG3 ARG 124 2HG ARG 124 11.990 -5.295 12.687 1015 HD2 ARG 124 1HD ARG 124 10.556 -5.450 14.483 1016 HD3 ARG 124 2HD ARG 124 9.677 -6.355 13.251 1017 HE ARG 124 HE ARG 124 11.314 -8.116 14.709 1018 HH11 ARG 124 1HH1 ARG 124 8.444 -6.181 15.074 1019 HH12 ARG 124 2HH1 ARG 124 7.741 -7.214 16.274 1020 HH21 ARG 124 1HH2 ARG 124 10.400 -9.485 16.288 1021 HH22 ARG 124 2HH2 ARG 124 8.856 -9.093 16.964 1022 H ARG 125 H ARG 125 14.420 -9.714 10.968 1023 HA ARG 125 HA ARG 125 12.922 -11.133 8.956 1024 HB2 ARG 125 1HB ARG 125 14.726 -12.649 8.880 1025 HB3 ARG 125 2HB ARG 125 15.461 -11.079 9.174 1026 HG2 ARG 125 1HG ARG 125 15.168 -11.882 11.702 1027 HG3 ARG 125 2HG ARG 125 15.299 -13.456 10.917 1028 HD2 ARG 125 1HD ARG 125 17.254 -11.361 10.145 1029 HD3 ARG 125 2HD ARG 125 17.427 -12.092 11.740 1030 HE ARG 125 HE ARG 125 18.161 -13.261 9.293 1031 HH11 ARG 125 1HH1 ARG 125 16.568 -14.065 12.282 1032 HH12 ARG 125 2HH1 ARG 125 17.018 -15.737 12.223 1033 HH21 ARG 125 1HH2 ARG 125 18.759 -15.460 9.204 1034 HH22 ARG 125 2HH2 ARG 125 18.265 -16.529 10.472 1035 H LYS 126 H LYS 126 11.552 -12.794 9.231 1036 HA LYS 126 HA LYS 126 11.432 -14.169 11.803 1037 HB2 LYS 126 1HB LYS 126 9.817 -12.152 11.704 1038 HB3 LYS 126 2HB LYS 126 8.889 -13.133 10.576 1039 HG2 LYS 126 1HG LYS 126 7.849 -13.669 12.530 1040 HG3 LYS 126 2HG LYS 126 9.084 -14.930 12.484 1041 HD2 LYS 126 1HD LYS 126 9.582 -12.309 13.860 1042 HD3 LYS 126 2HD LYS 126 8.745 -13.629 14.680 1043 HE2 LYS 126 1HE LYS 126 10.770 -15.053 13.901 1044 HE3 LYS 126 2HE LYS 126 11.569 -13.495 13.696 1045 HZ1 LYS 126 3HZ LYS 126 10.481 -14.661 16.192 1046 HZ2 LYS 126 1HZ LYS 126 10.910 -13.030 16.060 1047 HZ3 LYS 126 2HZ LYS 126 12.082 -14.232 15.856 1048 H GLN 127 H GLN 127 10.793 -16.274 11.659 1049 HA GLN 127 HA GLN 127 10.911 -17.548 9.150 1050 HB2 GLN 127 1HB GLN 127 11.472 -18.558 11.401 1051 HB3 GLN 127 2HB GLN 127 9.742 -18.719 11.673 1052 HG2 GLN 127 1HG GLN 127 9.509 -20.263 9.903 1053 HG3 GLN 127 2HG GLN 127 11.127 -19.917 9.295 1054 HE21 GLN 127 1HE2 GLN 127 10.458 -22.481 9.693 1055 HE22 GLN 127 2HE2 GLN 127 11.271 -23.122 11.076
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