NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2930 8.1933 115.2897 58.2715 63.8418 173.0825 *2 D 4.5100 8.5175 116.8093 54.6604 42.6612 177.8054 3 A 3.9965 7.6592 120.0921 55.0602 17.9994 179.8495 4 I 3.6750 7.5262 117.6455 64.3929 37.2804 178.4148 5 K 4.0882 7.9312 117.5736 59.3375 32.0386 178.6945 6 K 4.1008 7.9472 118.5539 59.2979 32.1506 179.6854 7 K 4.1201 7.7114 116.2647 56.7753 32.2174 176.5827 *9 Q 4.0833 7.9128 116.2712 55.4436 30.5825 176.5218 *11 L 4.2886 7.8749 117.9091 54.2923 43.9006 179.3494 12 K 3.9608 8.0566 117.4006 59.5210 31.9080 179.2044 13 L 3.9887 8.0416 119.1396 57.8820 41.6020 179.2556 14 D 4.3457 8.0659 118.3437 57.2084 40.7085 178.6458 15 K 3.9162 8.1249 119.9809 59.6093 32.2437 178.6672 16 E 3.9529 8.3219 118.8696 59.5445 29.2851 179.1449 17 N 4.3321 8.5450 116.6010 56.2462 38.5116 177.4062 18 A 3.9818 7.9706 122.0501 55.1085 18.4360 179.6466 19 L 3.9429 8.2308 117.8191 57.9505 41.6226 179.5659 20 D 4.3178 8.0719 118.8475 57.3706 40.7226 178.8403 21 R 3.8887 8.2155 118.5036 59.2821 30.0171 178.9749 22 A 3.9668 8.2988 120.6470 55.2661 18.4143 179.4925 23 E 3.8760 8.3478 117.2630 59.5384 29.4786 179.5033 24 Q 3.8715 8.1313 119.3101 59.1465 29.1507 178.0070 25 A 3.9857 8.1843 121.9619 55.2498 18.1646 179.4494 26 E 3.9011 8.3017 116.2181 59.4091 29.8014 179.1691 27 A 4.1019 7.9973 120.8083 55.1842 18.4156 179.3870 28 D 3.9470 8.1043 117.4725 57.1838 40.7814 178.7689 29 K 3.7520 8.1732 120.4380 59.6148 32.1274 178.0939 *215 D 4.6462 7.8971 117.4316 54.3873 43.0707 177.5248 216 F 4.3246 8.2451 120.6130 61.6018 39.2783 176.8881 217 Y 4.1913 7.9474 116.4704 61.1014 37.6802 178.1562 218 F 4.2430 8.8126 122.1026 61.2110 39.4891 177.3339 219 G 3.6325 8.4677 105.5140 47.7229 0.0000 175.8696 220 K 3.8685 7.6544 120.4429 59.1584 32.0208 179.4237 221 L 3.8637 7.8889 119.3383 57.7331 41.4805 179.6236 222 R 3.7083 7.7201 118.6178 59.2927 30.0027 178.3779 223 N 4.2899 7.9816 116.2844 56.3330 38.5095 177.3989 224 I 3.6182 8.0145 121.6320 64.2408 37.0724 177.9226 225 E 3.7935 8.4073 120.5248 59.1866 29.4762 178.5349 226 L 3.9182 7.8433 120.1472 58.3140 41.9029 178.9638 227 I 3.6647 7.3626 118.0660 64.6440 37.3459 177.8391 228 C 4.2442 8.1568 117.4461 63.0812 27.7375 176.2909 229 Q 4.1885 8.4245 119.7990 59.0208 28.0109 178.7241 230 E 4.0421 8.0680 118.7847 58.5293 29.7647 178.1228 231 N 4.9134 7.7496 114.8550 52.9888 39.0085 176.2796 232 E 4.0693 7.8790 123.6507 59.7429 29.3856 179.6311 233 G 3.6657 7.9657 105.2878 47.8373 0.0000 174.4302 234 E 4.0337 7.8929 118.3566 57.3122 29.6012 176.4155 235 N 4.1215 7.5960 115.3805 53.7302 37.0974 174.5996 236 D 4.4856 7.9567 116.8718 53.3035 42.4859 173.4871 237 P 4.6275 0.0000 0.0000 65.4041 31.2584 178.7577 238 V 3.5285 8.1723 118.0392 65.9316 31.4261 178.1370 239 L 4.0324 8.0533 118.1154 57.6619 41.3264 179.3761 240 Q 3.9754 8.1854 118.3531 58.8961 28.6083 178.8070 241 R 3.9199 7.9454 119.1086 59.3260 30.0064 179.2200 242 I 3.6402 7.6939 119.5833 64.2829 37.1029 178.6190 243 V 3.2196 7.9702 119.4314 65.8958 31.0760 177.5246 244 D 4.3593 7.9023 116.7904 57.2953 41.2277 178.0501 245 I 3.8099 7.6867 120.2757 64.3344 36.9136 178.1379 246 L 3.8527 7.5883 118.5891 57.7599 41.4827 178.4818 247 Y 4.8555 7.2371 112.4982 56.8684 38.4706 175.8569 248 A 4.2492 7.2800 123.4514 52.5178 18.9994 177.8461 249 T 4.4720 8.2043 113.4663 61.9344 69.5614 174.1657 250 D 4.4112 8.0849 121.0535 54.4194 41.7415 175.5231 251 E 4.2321 8.7377 124.7925 56.6579 29.6415 176.1127 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 S 8.19 4.29 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 8.52 4.51 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.66 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.53 3.67 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.91 0.00 0.00 5 K 7.93 4.09 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 6 K 7.95 4.10 0.00 1.74 2.01 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 7 K 7.71 4.12 0.00 1.91 1.90 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 *9 Q 7.91 4.08 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.26 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 *11 L 7.87 4.29 0.00 1.77 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.06 3.96 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 13 L 8.04 3.99 0.00 1.69 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.07 4.35 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.12 3.92 0.00 1.88 1.98 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.62 7.81 16 E 8.32 3.95 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 17 N 8.54 4.33 0.00 2.86 2.86 0.00 0.00 6.93 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.97 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.23 3.94 0.00 1.83 1.73 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.07 4.32 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.22 3.89 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 22 A 8.30 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.35 3.88 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 24 Q 8.13 3.87 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 25 A 8.18 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.30 3.90 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 27 A 8.00 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.10 3.95 0.00 2.71 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.17 3.75 0.00 1.85 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.55 7.81 *215 D 7.90 4.65 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 F 8.25 4.32 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.95 4.19 0.00 3.08 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 F 8.81 4.24 0.00 3.27 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 G 8.47 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 K 7.65 3.87 0.00 1.81 1.72 0.00 1.31 0.00 0.00 1.44 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.20 7.81 221 L 7.89 3.86 0.00 1.54 1.53 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 222 R 7.72 3.71 0.00 1.46 1.84 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 223 N 7.98 4.29 0.00 2.88 2.80 0.00 0.00 7.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 I 8.01 3.62 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.82 0.00 0.00 225 E 8.41 3.79 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 226 L 7.84 3.92 0.00 1.95 1.77 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 227 I 7.36 3.66 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.88 0.00 0.00 228 C 8.16 4.24 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 8.42 4.19 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 230 E 8.07 4.04 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 231 N 7.75 4.91 0.00 2.79 2.77 0.00 0.00 6.89 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 E 7.88 4.07 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 233 G 7.97 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 E 7.89 4.03 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 235 N 7.60 4.12 0.00 2.79 2.86 0.00 0.00 6.92 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 D 7.96 4.49 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 P 0.00 4.63 0.00 2.29 2.29 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 238 V 8.17 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 239 L 8.05 4.03 0.00 1.83 1.67 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 240 Q 8.19 3.98 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 241 R 7.95 3.92 0.00 2.08 1.95 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 242 I 7.69 3.64 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.81 0.00 0.00 243 V 7.97 3.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.86 0.00 0.00 244 D 7.90 4.36 0.00 2.71 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 I 7.69 3.81 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.44 0.85 0.00 0.00 246 L 7.59 3.85 0.00 0.96 1.23 0.61 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 247 Y 7.24 4.86 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 A 7.28 4.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 T 8.20 4.47 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 250 D 8.08 4.41 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 E 8.74 4.23 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.