NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1784 8.2549 117.2646 54.7569 30.9798 175.0248 2 P 4.0175 0.0000 0.0000 62.4942 32.0099 176.2706 3 D 4.3617 8.5302 122.1682 57.1686 41.6426 178.6588 4 F 4.4352 7.9714 114.5192 59.5888 37.7697 177.9677 5 C 4.5028 7.3513 116.6114 59.3305 39.9894 174.8848 6 L 4.1899 7.6193 118.5022 54.3452 41.9784 176.7254 7 E 4.3165 7.5576 118.2255 54.6255 30.5774 175.0343 8 P 4.3956 0.0000 0.0000 61.6839 32.0754 174.2858 9 P 3.6762 0.0000 0.0000 62.5702 31.4903 175.1940 10 Y 4.6098 7.8179 121.5429 56.0618 40.5783 175.3920 11 T 4.1755 8.3406 124.9789 65.8661 68.8506 176.1399 12 G 3.6463 6.9084 103.9905 44.2599 0.0000 171.3029 13 P 4.3661 0.0000 0.0000 64.1971 31.6629 177.5791 14 C 4.4989 7.8544 116.9483 57.0359 40.8072 173.5695 15 K 4.3179 8.2418 119.1789 56.3040 32.1294 176.6261 16 A 4.1996 8.1021 122.8540 51.8676 20.0237 177.8582 17 R 4.2505 8.2222 117.7944 54.2278 30.5004 173.5048 18 I 4.2610 8.5701 122.6143 59.4627 39.2024 174.7829 19 I 4.2736 8.2828 128.9533 61.0861 37.6930 175.5567 20 R 4.7589 8.8276 125.4453 54.5900 34.8034 173.6606 21 Y 5.4264 9.2225 117.9044 56.5988 40.6083 175.3420 22 F 5.7932 9.7097 117.4557 55.2951 42.1337 172.9953 23 Y 4.4907 9.7978 121.8822 56.8489 40.2200 173.7095 24 N 4.8741 8.1901 126.5239 51.7743 39.2370 175.3164 25 A 4.0877 8.6089 130.3300 54.6793 19.0448 178.6476 26 K 4.0319 8.2447 116.2924 59.3871 32.4604 177.7861 27 A 4.0774 8.1080 120.3268 52.5781 18.8526 178.0571 28 G 4.0450 8.5990 103.2010 45.7495 0.0000 173.1108 29 L 4.8360 6.8914 117.1651 52.1397 46.2999 175.5697 30 A 4.5638 8.5169 124.0369 52.0973 19.1356 176.8930 31 Q 4.8397 8.5037 120.8866 54.1340 33.3268 174.9019 32 T 4.8163 8.4347 111.2947 61.2099 70.6863 173.5265 33 F 5.1039 9.6055 117.9834 55.5839 42.3254 173.2834 34 V 4.3408 8.4451 119.5107 61.9369 32.1287 174.1320 35 Y 4.7059 8.9743 131.0751 56.1115 40.0317 176.5993 36 G 3.6306 8.0070 113.7009 46.7878 0.0000 175.1842 37 G 3.8024 6.6805 107.5844 44.9627 0.0000 172.1602 38 C 4.9950 6.8798 112.1699 54.5830 44.9102 173.3347 39 R 3.7923 8.8898 116.6272 56.9265 27.1799 176.9150 40 A 4.0709 8.2851 118.9517 52.6445 19.0515 178.2290 41 K 4.4122 8.2275 121.2098 54.7242 34.3654 176.9281 42 R 3.6403 8.1907 117.9606 59.2897 30.3323 177.8324 43 N 4.7411 8.5069 117.8385 51.5401 36.9237 173.6166 44 N 4.8973 6.3107 115.4186 52.8948 41.4722 173.2066 45 F 5.0671 9.2604 124.4513 55.7275 42.7491 176.2148 46 K 4.4384 8.8686 121.1908 57.8004 32.8476 177.6597 47 S 4.7458 7.7611 112.9264 55.7556 67.1734 174.6679 48 A 3.2888 7.8175 124.6966 55.0354 18.1088 180.0761 49 E 3.8753 7.8508 116.7664 59.4379 29.4760 179.1091 50 D 4.2552 7.9366 118.4207 57.0794 40.8619 178.3750 51 A 2.5800 7.3766 120.9814 55.1051 18.2382 179.7063 52 M 3.8864 8.0892 117.2919 58.4019 31.7960 178.9737 53 R 3.7832 8.0721 118.1642 59.6394 30.2607 178.5361 54 T 4.0567 7.7595 114.7112 66.2052 68.7337 175.4040 55 C 4.5817 8.0172 114.4620 57.8104 42.1936 174.5469 56 G 3.7367 7.6811 110.7973 46.6390 0.0000 173.2507 57 G 3.9692 7.5197 108.7883 46.3271 0.0000 173.2868 58 A 4.2905 8.7443 125.5725 52.3265 19.3132 175.8714 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 R 8.25 4.18 0.00 1.69 1.84 0.00 2.98 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 2 P 0.00 4.02 0.00 0.96 1.81 0.00 3.26 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 3 D 8.53 4.36 0.00 2.78 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 4 F 7.97 4.44 0.00 3.29 3.34 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 5 C 7.35 4.50 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.19 0.00 1.81 1.74 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.56 4.32 0.00 2.12 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 2.80 2.33 0.00 8 P 0.00 4.40 0.00 2.11 2.05 0.00 3.77 0.00 0.00 3.72 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 9 P 0.00 3.68 0.00 0.73 0.49 0.00 3.32 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 10 Y 7.82 4.61 0.00 2.79 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 T 8.34 4.18 4.13 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 1.19 0.00 0.00 12 G 6.91 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.19 2.19 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 14 C 7.85 4.50 0.00 2.91 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 15 K 8.24 4.32 0.00 1.67 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.31 7.81 16 A 8.10 4.20 1.11 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 17 R 8.22 4.25 0.00 1.60 1.79 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 18 I 8.57 4.26 1.99 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.99 0.00 0.00 19 I 8.28 4.27 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.75 0.00 0.00 20 R 8.83 4.76 0.00 0.91 1.78 0.00 3.48 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 21 Y 9.22 5.43 0.00 3.32 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 22 F 9.71 5.79 0.00 3.31 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 23 Y 9.80 4.49 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.19 4.87 0.00 2.21 2.43 0.00 0.00 6.67 8.16 0.00 0.00 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 A 8.61 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 4.03 0.00 1.74 2.02 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.39 7.81 27 A 8.11 4.08 1.19 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 0.00 0.00 28 G 8.60 4.05 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 0.00 0.00 0.00 29 L 6.89 4.84 0.00 1.37 1.39 0.88 0.82 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 30 A 8.52 4.56 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.50 4.84 0.00 1.49 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.07 0.00 32 T 8.43 4.82 4.05 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 0.56 0.00 0.00 33 F 9.61 5.10 0.00 3.09 3.10 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 34 V 8.45 4.34 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 0.70 0.00 0.00 0.91 0.00 0.00 35 Y 8.97 4.71 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 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 37 G 6.68 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 0.00 0.00 0.00 38 C 6.88 4.99 0.00 3.06 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 39 R 8.89 3.79 0.00 2.24 2.21 0.00 3.34 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 40 A 8.29 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.23 4.41 0.00 1.75 1.82 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.14 1.02 7.81 42 R 8.19 3.64 0.00 1.20 0.83 0.00 2.28 0.00 0.00 2.81 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 43 N 8.51 4.74 0.00 3.17 2.88 0.00 0.00 6.96 7.44 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 44 N 6.31 4.90 0.00 2.71 2.66 0.00 0.00 7.08 7.02 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 45 F 9.26 5.07 0.00 3.31 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 46 K 8.87 4.44 0.00 1.85 1.95 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 47 S 7.76 4.75 0.00 4.11 3.94 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 48 A 7.82 3.29 0.70 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 0.00 0.00 49 E 7.85 3.88 0.00 2.00 1.94 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 2.34 2.36 0.00 50 D 7.94 4.26 0.00 3.01 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 51 A 7.38 2.58 1.11 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 52 M 8.09 3.89 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 53 R 8.07 3.78 0.00 1.70 2.15 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.76 4.06 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 1.64 0.00 0.00 55 C 8.02 4.58 0.00 2.06 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 0.00 0.00 0.00 56 G 7.68 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 57 G 7.52 3.97 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 0.00 0.00 0.00 58 A 8.74 4.29 1.19 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 0.00 0.00