NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2830 8.1133 117.2713 56.2431 30.3004 176.7500 11 T 3.4355 8.3489 111.0491 65.2737 68.5273 174.3656 12 G 3.8288 8.0488 108.1898 47.5750 0.0000 174.8896 13 R 4.1215 7.1205 116.5818 58.1784 29.7901 177.8875 14 F 5.0129 8.5095 118.6965 58.3499 39.4799 176.6916 15 G 3.7333 8.1491 107.9954 46.5128 0.0000 172.4322 16 P 4.6721 0.0000 0.0000 62.7710 31.6240 176.2394 17 R 4.0452 7.4069 117.3716 56.6841 31.3286 175.0354 18 Y 4.2069 7.8982 117.8042 57.0909 36.0825 170.2194 19 G 3.9617 8.0713 103.7448 44.4970 0.0000 173.0294 20 L 3.9754 8.0883 117.3060 57.7789 41.4348 179.6889 21 K 3.8542 8.0141 117.1063 59.9696 31.9292 179.0500 22 I 3.6714 7.8231 119.2957 64.6024 37.0723 178.4196 23 R 4.6824 7.7880 116.9015 57.9524 29.5201 178.8975 24 V 3.5894 8.1569 119.8753 66.1622 31.5955 178.2559 25 R 3.9157 7.9882 117.4885 58.8998 29.7988 179.2783 26 V 3.5928 7.4844 117.0054 65.6185 31.4842 177.9958 27 A 3.9440 8.2465 120.6686 55.2274 18.2854 179.1159 28 D 4.3131 8.2416 117.5817 57.6349 40.9175 179.3387 29 V 3.5664 7.7805 118.2970 66.2901 31.5342 177.9960 30 E 4.1723 8.2233 117.9735 58.9635 28.9958 179.1959 31 I 3.7735 8.1519 119.5509 63.9793 37.8481 178.1048 32 K 4.0696 7.8043 118.0506 59.5679 31.9581 178.4132 33 H 5.4120 8.2532 119.2063 58.6110 29.9513 176.6400 34 K 4.4173 8.1412 117.2322 55.6348 32.5722 177.2074 35 K 4.1513 6.8744 118.9354 55.8276 32.6319 176.7364 36 K 4.1180 8.3206 120.6628 56.7438 32.6755 176.3044 37 H 5.0033 8.1904 120.8962 53.8188 31.7293 173.7899 38 K 4.6433 8.5753 122.2813 55.6177 32.4356 176.4612 39 C 4.2823 9.3160 127.5358 59.0632 31.6834 172.0600 40 P 4.3547 0.0000 0.0000 65.7768 30.6907 177.8163 41 V 3.3847 7.0705 116.9787 65.0613 32.0793 177.9808 42 C 4.5604 7.5493 118.0820 57.3485 32.1153 173.3461 43 G 4.1105 8.5574 107.3965 45.6136 0.0000 173.3737 44 F 3.9879 8.1510 119.4813 56.6418 40.1164 175.7132 45 K 5.1958 7.7811 122.4489 55.4857 30.4717 177.0842 46 K 4.8024 7.7931 114.1953 56.2454 33.6032 177.4382 47 L 5.4133 8.1736 119.7711 53.2572 44.0946 176.5145 48 K 5.1919 9.2402 122.6741 54.3032 36.7729 175.7850 49 R 3.4221 8.6665 122.7483 55.9956 30.4675 176.3095 50 A 4.2202 8.6946 129.2035 52.8537 20.0677 177.1395 51 G 3.6723 6.8059 101.0794 46.2057 0.0000 171.3038 52 T 3.7298 8.4235 118.3043 64.9378 68.0334 174.2305 53 G 4.3948 8.4719 114.2581 46.4704 0.0000 171.0269 54 I 4.8256 7.0876 121.1235 59.0940 39.4138 174.8491 55 W 5.3937 9.1385 126.1436 55.2485 33.2335 174.0815 56 M 5.2146 9.2439 121.3945 54.3093 36.1540 172.9267 57 C 5.7289 8.3361 124.0141 57.0373 33.0229 175.0164 58 G 3.5988 9.0464 115.5513 48.2125 0.0000 173.8795 59 H 4.3465 8.1475 119.8969 58.3841 30.2051 175.5131 60 C 4.2932 8.0625 112.7721 57.7009 30.5305 174.6963 61 G 3.9120 8.8828 109.4515 44.8702 0.0000 172.8133 62 Y 4.2913 7.9815 121.4104 58.4493 39.7167 174.7283 63 K 4.9465 8.4706 128.4740 54.7841 33.5872 175.1410 64 I 4.4033 9.1901 121.7319 58.9360 41.1753 174.0159 65 A 4.9645 8.4694 124.6770 50.8068 20.1602 176.5291 66 G 4.3002 8.2356 111.0507 44.9959 0.0000 171.7150 67 G 4.0953 8.2886 110.6553 45.2522 0.0000 174.2650 68 C 4.0356 8.5185 116.0767 62.0267 28.2738 174.5504 69 Y 4.9654 7.7904 113.4703 57.6073 39.2308 174.7924 70 Q 4.7233 8.0227 118.6195 53.4108 33.3239 174.0830 71 P 2.9700 0.0000 0.0000 64.1126 31.6727 176.1658 72 E 4.7899 7.5546 117.0670 54.0738 32.4848 175.6427 73 T 4.6289 7.9548 112.6745 59.7847 72.8067 175.7281 74 V 3.6050 8.2594 120.2514 65.8940 31.0455 177.8176 75 A 4.2172 8.0048 120.2033 54.4972 18.4792 179.4896 76 G 3.6670 7.9638 103.6519 47.8581 0.0000 175.8244 77 K 4.1335 7.9802 120.1598 59.2548 31.7469 179.3153 78 A 4.1267 7.6547 120.3841 54.7246 17.9378 179.9433 79 V 3.5321 7.2237 115.1909 66.5324 31.7497 176.9035 80 M 4.0834 7.2899 115.7659 58.4719 31.7104 177.8369 81 K 3.8946 7.7724 116.3037 57.0808 32.4403 176.7896 82 A 4.1710 6.9680 129.2579 52.7139 18.0440 177.7784 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 10 R 8.11 4.28 0.00 1.98 2.03 0.00 2.93 0.00 0.00 3.33 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 T 8.35 3.44 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 1.32 0.00 0.00 12 G 8.05 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 0.00 0.00 0.00 13 R 7.12 4.12 0.00 1.85 1.97 0.00 2.90 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.12 0.00 14 F 8.51 5.01 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 2.14 2.11 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 17 R 7.41 4.05 0.00 0.67 0.66 0.00 2.93 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 18 Y 7.90 4.21 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.09 3.98 0.00 1.71 1.68 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.01 3.85 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.82 3.67 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.12 0.81 0.00 0.00 23 R 7.79 4.68 0.00 2.37 2.57 0.00 3.22 0.00 0.00 3.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.59 0.00 24 V 8.16 3.59 2.18 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 1.11 0.00 0.00 0.98 0.00 0.00 25 R 7.99 3.92 0.00 2.06 1.93 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 26 V 7.48 3.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.13 0.00 0.00 27 A 8.25 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.31 0.00 2.77 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 29 V 7.78 3.57 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.82 0.00 0.00 30 E 8.22 4.17 0.00 2.17 2.05 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 2.36 2.46 0.00 31 I 8.15 3.77 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 1.01 0.00 0.00 32 K 7.80 4.07 0.00 2.02 1.96 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 33 H 8.25 5.41 0.00 3.50 3.59 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.14 4.42 0.00 1.81 1.86 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.64 7.81 35 K 6.87 4.15 0.00 1.82 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.67 7.81 36 K 8.32 4.12 0.00 1.69 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.19 5.00 0.00 3.16 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.58 4.64 0.00 1.63 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.32 4.28 0.00 3.08 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 40 P 0.00 4.35 0.00 2.29 2.17 0.00 4.01 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 41 V 7.07 3.38 1.70 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 0.62 0.00 0.00 -0.55 0.00 0.00 42 C 7.55 4.56 0.00 3.16 3.01 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 0.00 0.00 0.00 43 G 8.56 4.11 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 0.00 0.00 0.00 44 F 8.15 3.99 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.78 5.20 0.00 1.55 1.75 0.00 1.61 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.12 7.81 46 K 7.79 4.80 0.00 1.84 1.88 0.00 2.00 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.75 7.81 47 L 8.17 5.41 0.00 1.71 1.74 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.24 5.19 0.00 1.72 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 49 R 8.67 3.42 0.00 1.06 1.41 0.00 2.99 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 50 A 8.69 4.22 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.81 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 52 T 8.42 3.73 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 1.07 0.00 0.00 53 G 8.47 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.09 4.83 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 0.82 0.00 0.00 55 W 9.14 5.39 0.00 3.19 3.07 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 0.00 0.00 0.00 0.00 56 M 9.24 5.21 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 57 C 8.34 5.73 0.00 3.21 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 9.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.15 4.35 0.00 3.12 3.35 0.00 5.91 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.06 4.29 0.00 3.06 3.01 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 0.00 0.00 0.00 61 G 8.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 4.29 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.47 4.95 0.00 1.72 1.57 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.36 7.81 64 I 9.19 4.40 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.71 0.83 0.00 0.00 65 A 8.47 4.96 1.25 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 0.00 0.00 66 G 8.24 4.30 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 0.00 0.00 0.00 67 G 8.29 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.52 4.04 0.00 2.41 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.79 4.97 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.02 4.72 0.00 2.12 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 71 P 0.00 2.97 0.00 1.62 0.92 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 72 E 7.55 4.79 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 73 T 7.95 4.63 4.25 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 1.23 0.00 0.00 74 V 8.26 3.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 75 A 8.00 4.22 1.32 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 0.00 0.00 0.00 76 G 7.96 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 77 K 7.98 4.13 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.66 7.81 78 A 7.65 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.22 3.53 2.25 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 0.87 0.00 0.00 0.99 0.00 0.00 80 M 7.29 4.08 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 81 K 7.77 3.89 0.00 1.86 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 6.97 4.17 1.29 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 0.00 0.00 0.00