NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4122 0.0000 0.0000 62.0163 32.6472 176.0275 2 K 4.0776 8.4760 120.4151 55.6908 32.6127 175.8648 3 I 3.8810 9.3566 125.5553 61.5994 38.6202 175.1173 4 K 4.4888 8.4571 123.3526 54.9649 33.2059 176.3813 5 T 4.1467 8.4188 114.8510 60.6844 69.7692 174.8251 6 V 3.6567 8.5378 126.1710 62.9192 31.0103 176.3940 7 R 3.9988 8.5665 124.5551 59.3720 30.3190 178.1060 8 G 3.9065 8.2489 104.2610 48.1438 0.0000 175.2762 9 A 4.2306 8.0152 122.2040 54.4859 18.3058 178.6857 10 A 4.3900 7.8397 117.1490 53.2806 18.5418 178.4865 11 K 4.6412 7.4987 116.2427 55.7822 33.4341 177.1781 12 R 4.5374 7.8338 114.3326 55.7414 34.2063 174.8244 13 F 5.0475 7.8804 114.8942 54.8417 42.8342 175.5908 14 K 4.5861 9.5621 121.6630 55.2034 34.0867 173.5262 15 K 3.9990 8.6446 126.0083 56.4637 33.1262 175.7164 16 T 4.6970 8.6769 118.4153 60.6296 70.4495 176.1913 17 G 3.8465 7.9719 112.4499 46.7310 0.0000 173.6068 18 K 4.1930 7.8407 117.6151 56.5543 35.8816 174.2486 19 G 3.7813 9.1424 106.9935 49.2259 0.0000 173.9080 20 G 4.0043 7.5984 109.5702 45.0423 0.0000 173.5055 21 F 4.9755 8.5199 115.5837 54.2790 41.2819 174.9798 22 K 4.1954 8.2384 125.2878 56.1606 32.5314 173.1039 23 H 4.3646 8.2925 115.5896 55.2579 31.4525 172.5275 24 K 4.6231 8.3177 120.2140 55.3861 33.1380 175.9494 25 H 4.4774 8.4584 121.8980 55.4544 29.5346 175.8055 26 A 4.2367 8.4082 124.7410 52.9700 20.6609 176.9825 27 N 4.1374 8.7169 108.3450 53.9346 35.4241 175.1044 28 L 4.5290 7.3339 116.1253 54.0421 43.0876 175.2804 29 R 4.6609 8.0702 111.8155 55.6957 34.1604 173.9334 30 H 4.7090 8.0778 118.4746 54.5702 31.6824 169.3444 31 I 3.2721 8.7413 126.5154 60.6294 38.8957 172.9550 32 L 4.6689 8.1730 119.7328 55.7541 47.4210 177.7378 33 T 3.9258 8.1650 112.5976 64.5526 67.1720 174.2362 34 K 4.3920 7.9665 117.4673 56.3938 33.1350 175.9427 35 K 4.4906 8.1174 119.4976 54.4183 34.0783 176.6836 36 A 4.0386 8.4716 124.8658 52.4755 19.5119 178.5480 37 T 3.7808 8.6441 115.7650 64.8726 68.7709 176.3940 38 K 3.7532 7.9601 121.8364 59.1008 32.0642 178.0672 39 R 3.8311 7.9690 116.9583 59.7432 30.1338 177.9898 40 K 4.1077 7.9910 117.7640 59.4603 31.9184 179.2819 41 R 4.1817 8.3528 117.8119 59.2688 29.9072 177.1946 42 H 4.7276 7.8066 113.6901 56.8807 29.5231 176.2386 43 L 4.2263 8.0143 119.0340 55.1226 41.8278 178.3659 44 R 4.0794 7.7889 119.3877 57.8731 30.4894 174.7411 45 P 4.4912 0.0000 0.0000 62.4029 32.1105 175.4036 46 K 4.5016 8.2839 118.1566 55.9364 33.1692 176.1317 47 A 4.7878 8.2984 124.3979 50.3430 22.7344 175.3400 48 M 4.6890 8.3362 118.5751 53.9258 34.2189 176.6365 49 V 3.9623 8.3448 120.2723 62.6957 32.2601 176.9360 50 S 4.1532 8.8051 119.4813 58.9609 63.1046 174.5273 51 K 4.2590 8.7532 129.0036 57.8513 32.0972 178.0122 52 G 3.7548 8.1347 105.1739 48.0226 0.0000 173.5079 53 D 4.7678 7.9410 117.1144 53.8653 42.5122 177.6006 54 L 4.0932 8.1230 122.3374 58.6285 41.6840 178.8531 55 G 3.9522 8.0247 103.1661 48.0430 0.0000 174.6985 56 L 4.0559 7.3318 121.1342 57.2783 42.1597 179.5606 57 V 3.1027 7.4946 117.1221 65.6676 32.0972 177.5154 58 I 4.3348 7.7272 118.4946 59.9913 34.1592 174.7532 59 A 4.5149 7.0122 122.6349 53.3971 25.8731 177.6904 60 C 4.3125 7.7770 112.0896 60.9516 29.3307 173.3397 61 L 4.9117 7.1640 118.8205 52.3417 41.8089 175.3167 62 P 4.1237 0.0000 0.0000 65.7762 31.8624 177.3212 63 Y 4.4824 7.8541 113.1551 57.8628 38.2304 175.2828 64 A 4.2822 8.0822 129.1556 52.6137 18.4275 178.3607 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 1 P 0.00 4.41 0.00 2.21 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 2 K 8.48 4.08 0.00 1.86 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.55 7.81 3 I 9.36 3.88 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 1.00 0.00 0.00 4 K 8.46 4.49 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 T 8.42 4.15 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 1.43 0.00 0.00 6 V 8.54 3.66 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 1.05 0.00 0.00 0.93 0.00 0.00 7 R 8.57 4.00 0.00 1.80 2.02 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 8 G 8.25 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 9 A 8.02 4.23 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 10 A 7.84 4.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.64 0.00 1.80 1.82 0.00 1.70 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 1.40 1.78 7.81 12 R 7.83 4.54 0.00 1.61 1.47 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 13 F 7.88 5.05 0.00 2.79 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.56 4.59 0.00 1.88 1.82 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 K 8.64 4.00 0.00 1.99 1.77 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.03 7.81 16 T 8.68 4.70 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 17 G 7.97 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 0.00 0.00 0.00 18 K 7.84 4.19 0.00 1.75 1.73 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.20 7.81 19 G 9.14 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 4.98 0.00 3.42 3.38 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 22 K 8.24 4.20 0.00 1.97 1.79 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.51 7.81 23 H 8.29 4.36 0.00 3.03 3.05 0.00 5.50 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.32 4.62 0.00 1.67 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.37 7.81 25 H 8.46 4.48 0.00 3.46 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.41 4.24 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 27 N 8.72 4.14 0.00 2.78 2.90 0.00 0.00 6.51 7.85 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 28 L 7.33 4.53 0.00 1.73 1.58 0.93 0.98 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 29 R 8.07 4.66 0.00 1.90 1.96 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 30 H 8.08 4.71 0.00 3.08 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.74 3.27 1.88 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 1.42 0.60 0.91 0.00 0.00 32 L 8.17 4.67 0.00 1.68 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.16 3.93 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 34 K 7.97 4.39 0.00 1.89 1.89 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.45 7.81 35 K 8.12 4.49 0.00 1.84 1.74 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.35 7.81 36 A 8.47 4.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.64 3.78 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 K 7.96 3.75 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.28 7.81 39 R 7.97 3.83 0.00 1.81 2.18 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 40 K 7.99 4.11 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.72 7.81 41 R 8.35 4.18 0.00 1.90 2.16 0.00 3.26 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 42 H 7.81 4.73 0.00 3.34 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.01 4.23 0.00 1.66 1.71 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.79 4.08 0.00 1.95 1.96 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 45 P 0.00 4.49 0.00 2.22 2.05 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 46 K 8.28 4.50 0.00 1.62 1.84 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 47 A 8.30 4.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.34 4.69 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 49 V 8.34 3.96 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 1.20 0.00 0.00 1.41 0.00 0.00 50 S 8.81 4.15 0.00 4.06 4.02 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 51 K 8.75 4.26 0.00 2.08 1.96 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.44 7.81 52 G 8.13 3.75 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 0.00 0.00 0.00 53 D 7.94 4.77 0.00 2.74 2.70 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 0.00 0.00 0.00 0.00 54 L 8.12 4.09 0.00 1.82 1.84 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.02 3.95 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 0.00 0.00 0.00 56 L 7.33 4.06 0.00 1.66 1.66 0.89 0.89 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 57 V 7.49 3.10 1.58 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 -0.76 0.00 0.00 0.69 0.00 0.00 58 I 7.73 4.33 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.92 1.09 0.00 0.00 59 A 7.01 4.51 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 60 C 7.78 4.31 0.00 2.83 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 61 L 7.16 4.91 0.00 1.57 1.54 0.44 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.12 0.00 1.86 1.94 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 63 Y 7.85 4.48 0.00 2.99 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 64 A 8.08 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00