NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2060 8.1233 123.5830 53.1751 20.0552 176.8206 3 E 3.5690 8.7267 119.5364 57.1626 27.1359 175.0813 4 A 4.0570 7.7672 121.7939 54.9713 19.7070 179.6018 5 L 4.0170 7.8738 118.4047 58.3398 42.2572 178.6319 6 F 3.8724 8.2790 120.0121 61.4542 39.0213 177.1105 7 K 4.0679 8.0663 116.8742 58.9691 31.8528 178.7383 8 E 4.0734 7.9290 119.4799 59.2686 29.6786 178.5248 9 I 3.7938 7.2044 118.3668 63.2178 38.4585 176.9895 10 D 4.3843 7.2762 119.7049 53.1413 38.2724 175.6310 11 V 3.6716 7.6936 122.9665 65.0598 32.1936 176.4731 12 N 4.5111 8.3057 114.7258 52.4538 37.6843 175.2793 13 G 3.8944 7.8687 106.8508 46.9265 0.0000 173.9922 14 D 4.5490 8.3442 116.8439 52.7704 39.6511 176.9895 15 G 4.0595 9.1031 107.3584 45.9975 0.0000 173.3953 16 A 4.7320 8.3033 121.2001 50.1427 21.9638 176.5815 17 V 4.0362 8.4962 123.1040 61.6061 32.3457 176.4657 18 S 4.6350 8.8808 123.4596 57.3886 65.7436 174.4525 19 Y 4.0236 8.4238 122.0309 60.6825 38.3794 177.4056 20 E 3.7908 8.2080 119.8643 59.3645 29.8360 178.5761 21 E 3.9101 8.0161 118.1660 59.0438 29.3981 179.4482 22 V 3.5045 7.4991 118.0673 65.7941 31.4830 177.6887 23 K 3.6051 7.6694 119.1840 59.7525 32.0603 178.5427 24 A 3.9937 8.1984 120.9087 54.8688 18.1299 179.4040 25 F 4.1443 8.2366 119.5631 61.3550 39.5235 177.7616 26 V 3.4264 8.1144 118.0502 65.7948 31.1872 178.3321 27 S 4.0619 7.7966 115.2222 61.2372 62.7112 176.2584 28 K 3.7642 7.7213 121.8736 59.3717 31.8332 178.8590 29 K 3.6481 7.7639 118.6630 59.4212 31.9512 179.1223 30 R 3.8496 7.8005 117.9374 59.6071 30.0321 178.9957 31 A 3.9625 8.0910 120.1505 55.1748 18.2209 179.7600 32 I 3.6342 7.7217 118.4501 64.3803 37.1631 178.6040 33 K 3.9922 8.1637 120.5130 59.1919 31.9647 178.5142 34 N 4.3354 8.3625 117.7734 56.5945 38.7582 176.7686 35 E 3.9940 8.6399 120.3909 59.0601 29.5306 179.1083 36 Q 4.0974 7.7190 117.7080 57.9617 29.2116 177.7526 37 L 3.9125 7.8464 121.3555 58.2867 42.1880 178.8417 38 L 3.9893 7.8855 120.1523 58.2615 41.9547 178.7124 39 Q 4.0296 7.8538 119.6095 58.6630 28.8731 177.8122 40 L 4.0180 7.8158 121.5502 57.9919 42.1094 178.8627 41 I 3.7129 7.8240 119.8788 64.2867 37.0364 178.1461 42 F 3.9098 8.2524 121.4977 61.2248 39.0453 177.1172 43 K 4.2489 8.2620 117.9049 59.2566 31.9462 178.1972 44 S 4.3170 7.5043 112.4836 60.9789 62.5328 175.8027 45 I 3.8032 7.5604 121.8369 63.6583 38.3365 177.5049 46 D 4.4422 8.1576 120.0542 53.3713 36.8889 176.0263 47 A 3.8727 7.7073 126.7909 55.9849 18.9920 178.8387 48 D 4.4536 8.1864 112.1052 53.3708 39.5094 176.7369 49 G 4.0073 8.4581 107.8438 46.8014 0.0000 173.7742 50 N 4.6245 9.1781 114.9379 52.5877 37.2076 176.2513 51 G 4.1512 9.6800 107.8651 45.5651 0.0000 173.4771 52 E 4.9037 7.9610 115.9785 54.7110 32.6993 174.8669 53 I 4.3503 8.2730 121.5320 60.0117 38.0221 176.2228 54 D 4.7587 8.6050 126.8861 52.3597 42.3270 177.1476 55 Q 4.0971 8.4567 117.2553 58.9735 28.4947 178.6432 56 N 4.3898 8.2718 117.3548 56.3049 38.7855 177.0425 57 E 3.9695 8.6282 120.0111 59.3534 29.4885 179.2298 58 F 4.1637 8.5463 120.5007 61.1897 39.3593 176.9282 59 A 4.0175 8.4638 120.6248 55.1717 18.0150 179.3483 60 K 3.8295 7.9845 115.7843 59.8054 32.2784 178.8125 61 F 4.2602 7.8117 118.7000 61.5752 39.2835 176.3824 62 Y 4.0994 8.2620 118.8109 58.3890 38.4407 175.2249 63 G 3.6209 7.2530 106.4071 45.0111 0.0000 172.2807 64 S 4.7340 7.9872 126.9900 55.7107 66.3347 175.4450 65 I 3.7341 8.2165 118.6120 61.1960 35.0500 171.5731 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 A 8.12 4.21 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.73 3.57 0.00 2.27 2.06 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 2.24 2.23 0.00 4 A 7.77 4.06 1.30 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 5 L 7.87 4.02 0.00 1.79 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.28 3.87 0.00 3.09 3.20 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 7 K 8.07 4.07 0.00 1.99 1.88 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.79 7.81 8 E 7.93 4.07 0.00 1.97 2.06 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 2.45 2.42 0.00 9 I 7.20 3.79 1.36 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.57 0.00 0.00 10 D 7.28 4.38 0.00 2.00 2.36 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 11 V 7.69 3.67 2.04 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 0.86 0.00 0.00 0.96 0.00 0.00 12 N 8.31 4.51 0.00 2.90 2.90 0.00 0.00 7.00 6.89 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 13 G 7.87 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 14 D 8.34 4.55 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.10 4.06 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 0.00 0.00 0.00 16 A 8.30 4.73 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 17 V 8.50 4.04 2.01 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 0.72 0.00 0.00 0.16 0.00 0.00 18 S 8.88 4.64 0.00 4.11 3.99 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 19 Y 8.42 4.02 0.00 3.14 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 20 E 8.21 3.79 0.00 2.13 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 2.35 2.41 0.00 21 E 8.02 3.91 0.00 2.12 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 2.26 2.26 0.00 22 V 7.50 3.50 2.02 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 1.02 0.00 0.00 0.94 0.00 0.00 23 K 7.67 3.61 0.00 1.33 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 24 A 8.20 3.99 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 25 F 8.24 4.14 0.00 3.08 3.22 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 26 V 8.11 3.43 2.06 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 0.95 0.00 0.00 1.06 0.00 0.00 27 S 7.80 4.06 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 3.76 0.00 1.88 1.72 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.42 7.81 29 K 7.76 3.65 0.00 1.70 1.63 0.00 1.60 0.00 0.00 1.21 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 0.56 7.81 30 R 7.80 3.85 0.00 1.96 1.96 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 31 A 8.09 3.96 1.30 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 32 I 7.72 3.63 1.96 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 1.36 1.42 0.89 0.00 0.00 33 K 8.16 3.99 0.00 1.75 1.90 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.56 7.81 34 N 8.36 4.34 0.00 3.01 2.88 0.00 0.00 7.12 7.17 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 35 E 8.64 3.99 0.00 2.12 1.95 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 2.41 2.46 0.00 36 Q 7.72 4.10 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.69 0.00 37 L 7.85 3.91 0.00 1.77 1.67 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.89 3.99 0.00 2.00 1.64 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.85 4.03 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 40 L 7.82 4.02 0.00 2.05 1.82 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.82 3.71 2.03 0.00 0.00 0.90 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 0.68 0.87 0.00 0.00 42 F 8.25 3.91 0.00 3.22 3.17 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 43 K 8.26 4.25 0.00 2.11 2.00 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.53 7.81 44 S 7.50 4.32 0.00 3.89 4.09 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 0.00 0.00 0.00 0.00 45 I 7.56 3.80 1.46 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.51 0.68 0.00 0.00 46 D 8.16 4.44 0.00 2.08 2.45 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 47 A 7.71 3.87 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 48 D 8.19 4.45 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.46 4.01 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 0.00 0.00 0.00 50 N 9.18 4.62 0.00 2.81 3.00 0.00 0.00 7.03 6.88 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 51 G 9.68 4.15 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 0.00 52 E 7.96 4.90 0.00 2.01 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 2.23 2.58 0.00 53 I 8.27 4.35 1.80 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.02 0.91 0.00 0.00 54 D 8.60 4.76 0.00 2.98 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 55 Q 8.46 4.10 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 56 N 8.27 4.39 0.00 2.90 2.89 0.00 0.00 7.17 7.66 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 57 E 8.63 3.97 0.00 2.16 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 0.00 2.32 2.50 0.00 58 F 8.55 4.16 0.00 3.12 3.26 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 59 A 8.46 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 3.83 0.00 1.92 1.93 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.70 7.81 61 F 7.81 4.26 0.00 2.96 3.22 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 62 Y 8.26 4.10 0.00 2.35 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.25 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.73 0.00 3.65 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 65 I 8.22 3.73 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 1.27 0.62 0.91 0.00 0.00