NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2947 8.4293 120.2257 56.3159 31.1092 174.9003 4 R 4.0551 8.2642 117.2396 54.4200 31.3606 175.7243 5 P 4.1807 0.0000 0.0000 66.1894 32.0811 180.1099 6 L 3.9253 7.8636 116.7431 57.5902 41.4915 179.1972 7 D 4.3338 7.9644 118.6528 57.3195 40.5550 178.8729 8 V 3.5445 7.6237 116.9148 66.0574 31.8649 177.6601 9 I 3.6627 7.4735 119.2315 64.4194 36.8862 177.7475 10 H 4.1199 8.2011 119.3950 59.5499 29.5248 177.5088 11 R 4.0447 7.9860 117.8251 58.5142 30.0911 178.1457 12 S 4.4816 7.7821 113.8972 57.3299 63.2080 173.8909 13 L 4.1182 7.2988 122.5946 56.6513 41.8101 176.6169 14 D 4.4933 9.5130 121.5602 55.0985 39.1542 173.4317 15 K 4.7817 7.8691 117.7347 54.3341 36.1727 175.2153 16 D 5.0058 8.4850 121.5945 54.5359 42.1803 175.7892 17 V 4.8502 9.2169 121.8438 61.1696 36.0143 173.3417 18 L 5.0533 8.7827 127.1925 53.3303 44.2956 175.0562 19 V 4.7150 9.1621 126.8624 61.3216 33.8555 174.1632 20 I 4.5170 8.9147 130.2631 60.4841 38.6160 175.8087 21 L 4.9196 8.4187 126.9967 52.8745 44.0193 176.7728 22 K 4.2995 8.7260 117.5396 57.8866 32.1761 177.8977 23 K 4.6227 8.0040 118.5487 56.2287 33.1401 176.9774 24 G 3.8818 8.6726 105.3473 45.6412 0.0000 173.5694 25 F 5.1995 7.8158 118.0534 56.1634 41.7218 174.3777 26 E 5.1311 8.6510 117.3504 55.7164 33.3641 173.8346 27 F 5.5769 9.2508 119.0103 55.9224 42.9339 174.5997 28 R 5.0842 9.1136 120.4776 54.3460 34.3917 175.1474 29 G 4.0290 8.1805 108.4841 46.4955 0.0000 171.0059 30 R 4.9614 7.8918 120.6731 54.7676 31.5595 175.6459 31 L 4.6926 8.9555 130.1912 55.2129 42.7791 176.7560 32 I 4.6056 8.3621 118.5433 60.2052 38.9702 175.2064 33 G 4.1769 7.7439 108.3578 46.5154 0.0000 171.7433 34 Y 5.3153 7.7323 117.7249 56.6865 40.8359 172.0845 35 D 4.7748 8.6366 118.4031 51.3977 42.6820 176.0462 36 I 3.7634 8.2621 118.0520 63.9476 37.8669 175.9228 37 H 4.5984 8.1883 114.9129 55.6465 28.8669 175.1324 38 L 3.8165 8.0245 118.4421 55.6165 39.5607 174.2720 39 N 4.9118 8.3702 116.0714 53.5079 39.8692 174.8029 40 V 4.9974 8.7789 114.3823 59.7011 36.7933 174.4306 41 V 4.8051 8.8501 122.8618 61.1675 34.1719 174.4155 42 L 5.3964 8.8727 126.6355 52.9057 45.5878 175.2697 43 A 5.0243 8.9276 123.7415 50.3743 22.0295 175.9499 44 D 4.4636 8.6072 118.4787 55.3282 39.1163 173.5394 45 A 5.0824 8.2845 120.8892 50.9220 22.1914 177.5571 46 E 5.2404 9.3495 118.8626 54.8250 33.5932 174.6701 47 M 4.8503 9.4073 124.6360 54.4050 34.2886 174.5487 48 I 4.8570 9.0962 127.4122 59.4647 40.5828 174.1521 49 Q 4.0136 9.0122 128.6887 54.0303 30.9029 175.3095 50 D 4.4123 9.0931 129.2286 55.5098 38.8723 174.9478 51 G 3.8590 8.1247 103.1928 45.4987 0.0000 172.5165 52 E 4.5213 7.7608 120.9591 53.6645 31.7028 175.1441 53 V 4.2077 8.3841 126.1462 63.0968 31.9026 175.4983 54 V 4.4356 8.4829 120.1099 61.6742 33.9573 175.9211 55 K 4.6280 7.7658 117.8184 55.1262 36.7347 175.1195 56 R 5.1039 7.9186 119.7798 54.7748 34.0456 174.4513 57 Y 4.6971 9.1842 119.7478 56.2406 41.9603 176.6299 58 G 3.6881 9.0490 111.1303 49.0292 0.0000 173.1844 59 K 5.2499 7.8667 119.3943 54.8546 35.5604 175.0599 60 I 4.4120 8.6699 125.4239 59.6714 41.9208 173.2070 61 V 4.5258 8.1902 128.6939 61.3909 33.0573 174.5825 62 I 4.3901 8.6186 129.0862 59.2615 39.7363 175.4759 63 R 4.2970 8.5864 126.6989 55.6821 30.7515 178.0220 64 G 3.7086 8.8125 111.8116 48.4803 0.0000 174.9041 65 D 4.2935 8.1592 118.3286 56.7066 41.2085 176.3474 66 N 4.7016 7.7514 113.7884 53.0825 39.1688 175.0516 67 V 4.0154 7.7496 119.8535 62.3617 32.4001 175.4765 68 L 4.4683 8.8898 127.3511 57.0782 42.6212 176.6750 69 A 4.6088 7.4889 117.1132 51.1963 22.6379 175.2415 70 I 5.0654 8.2658 119.2361 59.6227 40.9882 175.1025 71 S 4.6973 9.0832 121.2208 55.5283 65.3123 171.3520 72 P 4.6794 0.0000 0.0000 63.0989 32.0227 176.4066 73 T 4.2475 8.8105 112.3488 61.9722 68.6276 174.4799 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 3 E 8.43 4.29 0.00 1.97 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 2.21 2.30 0.00 4 R 8.26 4.06 0.00 1.98 2.06 0.00 2.81 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.65 0.00 5 P 0.00 4.18 0.00 2.15 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 6 L 7.86 3.93 0.00 1.68 1.72 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.96 4.33 0.00 2.83 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 8 V 7.62 3.54 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 0.83 0.00 0.00 0.96 0.00 0.00 9 I 7.47 3.66 1.46 0.00 0.00 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 1.51 0.58 0.14 0.00 0.00 10 H 8.20 4.12 0.00 3.37 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.99 4.04 0.00 1.94 1.97 0.00 3.21 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 12 S 7.78 4.48 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.30 4.12 0.00 1.70 1.64 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.51 4.49 0.00 2.78 2.75 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 0.00 0.00 0.00 15 K 7.87 4.78 0.00 1.81 1.67 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.53 7.81 16 D 8.48 5.01 0.00 2.65 2.60 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 17 V 9.22 4.85 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 0.97 0.00 0.00 0.93 0.00 0.00 18 L 8.78 5.05 0.00 1.81 1.65 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.16 4.71 2.28 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 1.11 0.00 0.00 0.99 0.00 0.00 20 I 8.91 4.52 1.90 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 1.25 0.52 0.93 0.00 0.00 21 L 8.42 4.92 0.00 1.71 1.63 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.73 4.30 0.00 1.76 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.63 7.81 23 K 8.00 4.62 0.00 2.01 2.02 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.26 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.39 7.81 24 G 8.67 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.82 5.20 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.65 5.13 0.00 2.18 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 2.29 2.26 0.00 27 F 9.25 5.58 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.11 5.08 0.00 1.81 1.82 0.00 3.24 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 G 8.18 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.89 4.96 0.00 1.94 1.82 0.00 3.24 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 8.96 4.69 0.00 1.82 1.72 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.36 4.61 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 1.30 0.85 0.98 0.00 0.00 33 G 7.74 4.18 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 0.00 0.00 0.00 34 Y 7.73 5.32 0.00 3.00 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 35 D 8.64 4.77 0.00 2.86 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 36 I 8.26 3.76 1.84 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 1.38 0.82 0.68 0.00 0.00 37 H 8.19 4.60 0.00 3.46 3.32 0.00 5.84 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 38 L 8.02 3.82 0.00 1.84 1.84 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.37 4.91 0.00 2.99 2.74 0.00 0.00 6.79 7.14 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 40 V 8.78 5.00 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 0.73 0.00 0.00 0.92 0.00 0.00 41 V 8.85 4.81 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 1.00 0.00 0.00 0.91 0.00 0.00 42 L 8.87 5.40 0.00 1.50 1.48 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.93 5.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.46 0.00 2.76 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 45 A 8.28 5.08 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 46 E 9.35 5.24 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 47 M 9.41 4.85 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.52 0.00 48 I 9.10 4.86 1.82 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 1.11 0.83 0.88 0.00 0.00 49 Q 9.01 4.01 0.00 1.61 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.26 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 50 D 9.09 4.41 0.00 2.68 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 51 G 8.12 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.76 4.52 0.00 1.93 1.83 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 2.15 2.16 0.00 53 V 8.38 4.21 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 0.92 0.00 0.00 0.93 0.00 0.00 54 V 8.48 4.44 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 0.76 0.00 0.00 1.07 0.00 0.00 55 K 7.77 4.63 0.00 1.72 1.31 0.00 1.82 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 56 R 7.92 5.10 0.00 1.50 1.71 0.00 3.11 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 57 Y 9.18 4.70 0.00 2.88 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 58 G 9.05 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 5.25 0.00 1.73 1.63 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.59 7.81 60 I 8.67 4.41 1.48 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.89 0.51 0.00 0.00 61 V 8.19 4.53 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 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.62 4.39 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.09 0.94 0.00 0.00 63 R 8.59 4.30 0.00 1.86 1.85 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 8.81 3.71 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 0.00 0.00 0.00 65 D 8.16 4.29 0.00 2.62 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 66 N 7.75 4.70 0.00 2.76 2.84 0.00 0.00 6.92 8.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.75 4.02 2.24 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 0.89 0.00 0.00 1.02 0.00 0.00 68 L 8.89 4.47 0.00 1.68 1.71 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.49 4.61 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 5.07 1.86 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 1.25 0.72 0.90 0.00 0.00 71 S 9.08 4.70 0.00 3.84 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 72 P 0.00 4.68 0.00 2.11 2.02 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 73 T 8.81 4.25 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