NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1608 8.2431 119.7038 56.3436 31.6489 175.6819 3 G 3.7422 8.6125 103.3987 44.3088 0.0000 172.0485 4 T 4.7531 8.2460 109.7084 59.2673 72.9921 172.1491 5 N 4.3800 8.5257 118.1579 55.2210 38.8617 175.3072 6 V 3.6950 7.2903 118.4962 64.2641 31.2303 175.9545 7 G 3.8861 8.8797 115.4494 45.4759 0.0000 172.3061 8 R 4.1246 7.8609 120.5188 55.3968 30.6949 175.0457 9 E 4.6636 8.6823 125.7977 54.6153 31.2590 175.4619 10 C 5.0424 8.5132 122.3671 55.2252 43.7582 174.4173 11 C 4.6220 8.5498 120.3084 55.6931 39.8637 173.6357 12 L 4.0022 8.4769 127.9188 57.5711 42.0648 176.8607 13 E 4.5280 7.4664 114.6461 54.7763 33.5150 174.1181 14 Y 4.8563 8.0431 119.2836 57.5623 39.0471 175.2725 15 F 4.5446 9.6647 126.8907 58.2642 40.1558 174.3295 16 K 4.3066 8.1177 125.1755 55.6058 34.4069 174.7933 17 G 3.4464 8.5573 108.1628 43.3160 0.0000 172.7295 18 A 4.2096 8.2955 122.5556 51.4522 18.9111 177.5440 19 I 3.8949 8.2988 124.7160 60.5918 37.8227 175.7233 20 P 4.5218 0.0000 0.0000 61.4310 29.8207 176.1606 21 L 3.7774 8.2170 129.4911 58.8266 42.3142 179.5049 22 R 4.0198 7.8470 112.8276 58.6818 29.5188 177.4204 23 K 4.2388 8.0532 117.2139 57.2251 32.5971 176.7595 24 L 4.4477 7.6601 119.8506 54.6587 42.1795 175.9713 25 K 4.4709 9.0627 124.2019 58.1693 34.3133 175.1044 26 T 4.9638 7.6502 112.0131 61.5212 70.8402 171.6148 27 W 5.8129 8.3829 117.2841 55.8963 30.9895 173.1844 28 Y 4.3640 8.6386 118.1042 55.7111 41.5311 173.1089 29 Q 5.0525 8.5327 121.7156 54.7394 30.4091 175.4162 30 T 4.4362 8.4948 117.0938 60.9618 70.3225 174.1386 31 S 4.1592 8.8453 116.2681 58.6595 62.6070 175.1237 32 E 4.1291 8.7808 124.5235 58.9829 29.4423 177.6246 33 D 4.5371 8.0764 118.4813 55.9714 41.2797 176.2862 34 C 4.5005 7.7773 116.8964 56.5613 40.8833 173.6430 35 S 4.1778 8.8232 117.7195 61.2065 62.0530 174.7873 36 R 4.4742 7.5740 117.4916 54.2798 31.1719 175.6351 37 D 4.4792 8.6942 122.3947 54.2744 42.0460 174.9969 38 A 5.1274 8.3286 127.2561 50.7234 23.3633 174.5088 39 I 4.6893 8.6357 121.4644 59.4418 40.1028 174.8355 40 V 4.4321 7.9469 127.3488 61.1831 33.2196 174.5367 41 F 5.2592 8.7615 127.4210 56.8547 40.7520 174.8206 42 V 5.0110 8.8973 123.6546 61.4233 33.6186 175.5586 43 T 4.7223 8.9764 118.7932 60.9235 70.0699 175.9418 44 V 3.6043 8.6475 122.5332 66.0404 31.5134 176.8096 45 Q 4.2680 8.0726 115.6540 55.8561 28.7677 176.0641 46 G 3.9185 8.1870 106.2541 45.6386 0.0000 173.8819 47 R 4.4767 8.1711 118.2200 55.1577 31.7398 175.3317 48 A 5.3068 8.5006 123.1922 50.3063 21.9240 176.0930 49 I 4.3818 8.5291 121.4622 59.5502 40.7566 174.1903 50 C 4.9630 8.9108 125.6255 56.8084 42.3341 173.1847 51 S 5.1181 9.2289 119.2756 56.6354 67.6437 172.9382 52 D 4.1304 7.9586 122.0991 52.6138 41.1093 175.4774 53 P 4.3624 0.0000 0.0000 64.5451 31.4570 176.8213 54 N 4.5720 8.4864 115.1731 53.7865 39.2938 175.4090 55 N 4.5028 7.9093 118.7861 52.4681 40.5516 174.9633 56 K 3.8226 8.7418 128.0822 60.7638 32.4352 179.4334 57 R 3.9021 8.0139 119.1141 58.3387 29.8685 179.3152 58 V 3.7022 7.9083 117.7010 66.0771 31.6991 178.0502 59 K 3.8538 8.1221 118.2431 59.4080 31.7643 178.8303 60 N 4.2629 8.3599 117.1645 56.6017 38.8774 176.8604 61 A 3.9828 8.0471 122.2297 55.0492 18.3479 179.7020 62 V 3.1721 8.0088 116.8655 65.9552 31.2555 178.3447 63 K 4.0336 7.7096 116.9750 59.5796 32.1843 178.0893 64 Y 4.4313 8.1699 119.7993 61.0777 38.6205 178.3869 65 L 3.5973 7.8854 119.4138 57.9467 41.5799 179.7349 66 Q 4.2091 8.2847 117.2083 58.6679 28.6654 178.5763 67 S 4.3122 7.7511 114.4977 60.6430 63.2498 174.2025 68 L 4.1193 7.4367 126.4269 54.9625 41.3227 176.5830 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 2 R 8.24 4.16 0.00 1.81 2.02 0.00 3.40 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 3 G 8.61 3.74 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 0.00 0.00 0.00 4 T 8.25 4.75 4.24 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 1.21 0.00 0.00 5 N 8.53 4.38 0.00 2.77 2.90 0.00 0.00 6.43 7.68 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 6 V 7.29 3.70 2.07 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 0.72 0.00 0.00 0.93 0.00 0.00 7 G 8.88 3.89 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 8 R 7.86 4.12 0.00 1.94 1.94 0.00 3.25 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 E 8.68 4.66 0.00 1.97 1.93 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 2.34 2.44 0.00 10 C 8.51 5.04 0.00 2.95 2.92 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 11 C 8.55 4.62 0.00 2.92 2.98 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 0.00 0.00 0.00 12 L 8.48 4.00 0.00 1.56 1.66 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.47 4.53 0.00 1.93 1.75 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 2.17 2.25 0.00 14 Y 8.04 4.86 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 9.66 4.54 0.00 3.00 3.18 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 16 K 8.12 4.31 0.00 1.64 1.67 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.99 1.15 7.81 17 G 8.56 3.45 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 18 A 8.30 4.21 1.27 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 I 8.30 3.89 1.75 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.46 0.00 0.00 20 P 0.00 4.52 0.00 2.17 2.18 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 21 L 8.22 3.78 0.00 1.56 1.51 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.85 4.02 0.00 1.96 2.02 0.00 3.07 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 23 K 8.05 4.24 0.00 1.99 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81 24 L 7.66 4.45 0.00 1.82 1.70 0.53 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.06 4.47 0.00 1.76 1.99 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 26 T 7.65 4.96 4.29 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 1.28 0.00 0.00 27 W 8.38 5.81 0.00 3.15 3.05 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 Y 8.64 4.36 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.53 5.05 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 30 T 8.49 4.44 4.31 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 1.25 0.00 0.00 31 S 8.85 4.16 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.78 4.13 0.00 2.14 2.10 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 2.29 2.30 0.00 33 D 8.08 4.54 0.00 2.71 2.77 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 34 C 7.78 4.50 0.00 3.19 3.02 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 0.00 0.00 0.00 35 S 8.82 4.18 0.00 3.81 3.87 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 36 R 7.57 4.47 0.00 1.83 1.71 0.00 2.86 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 37 D 8.69 4.48 0.00 2.67 2.67 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 38 A 8.33 5.13 1.34 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 39 I 8.64 4.69 1.54 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 1.02 0.84 0.26 0.00 0.00 40 V 7.95 4.43 0.75 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 0.90 0.00 0.00 0.60 0.00 0.00 41 F 8.76 5.26 0.00 3.13 2.95 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 0.00 0.00 0.00 0.00 42 V 8.90 5.01 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 1.14 0.00 0.00 1.09 0.00 0.00 43 T 8.98 4.72 4.32 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 1.19 0.00 0.00 44 V 8.65 3.60 2.10 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 0.80 0.00 0.00 1.02 0.00 0.00 45 Q 8.07 4.27 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 46 G 8.19 3.92 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 47 R 8.17 4.48 0.00 1.76 1.81 0.00 3.06 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 48 A 8.50 5.31 1.24 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 49 I 8.53 4.38 1.96 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.73 0.71 0.00 0.00 50 C 8.91 4.96 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 51 S 9.23 5.12 0.00 3.84 3.80 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 52 D 7.96 4.13 0.00 1.58 2.11 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 53 P 0.00 4.36 0.00 2.06 2.05 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.09 0.00 54 N 8.49 4.57 0.00 2.77 2.83 0.00 0.00 6.91 7.57 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 55 N 7.91 4.50 0.00 2.67 2.72 0.00 0.00 6.78 6.70 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 56 K 8.74 3.82 0.00 1.96 2.06 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 57 R 8.01 3.90 0.00 2.09 1.99 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 58 V 7.91 3.70 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 1.13 0.00 0.00 1.10 0.00 0.00 59 K 8.12 3.85 0.00 1.99 1.80 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.63 7.81 60 N 8.36 4.26 0.00 2.81 2.94 0.00 0.00 7.07 7.34 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 61 A 8.05 3.98 1.12 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 62 V 8.01 3.17 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 -0.09 0.00 0.00 0.43 0.00 0.00 63 K 7.71 4.03 0.00 1.96 1.87 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.56 7.81 64 Y 8.17 4.43 0.00 2.95 3.18 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 65 L 7.89 3.60 0.00 1.97 1.87 1.27 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.28 4.21 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 67 S 7.75 4.31 0.00 4.07 4.14 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 68 L 7.44 4.12 0.00 1.64 1.56 0.51 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00