NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4161 8.3044 120.3485 55.1658 33.2570 174.9093 2 V 3.4806 8.6731 126.7794 64.7129 31.7896 174.2605 3 I 4.4599 7.9448 121.8430 59.4487 40.0634 174.4102 4 A 4.5994 9.1497 129.2085 50.7523 20.7511 177.8654 5 T 3.8947 8.4654 116.0953 66.9314 68.1811 176.4510 6 D 4.6098 7.9986 118.6793 55.5771 39.6661 177.2782 7 D 4.5618 8.0328 119.4378 55.7042 41.3982 176.6918 8 L 4.6943 7.9553 119.4377 55.7182 43.8111 176.3216 9 E 5.2409 7.9093 113.9389 55.2446 32.7689 174.5302 10 T 4.8024 9.0393 110.6036 59.8251 73.0495 173.0759 11 T 4.2808 8.5923 118.4791 64.3750 69.1853 173.6054 12 C 4.3932 8.9928 127.3806 58.7228 32.0055 172.7909 13 P 4.4111 0.0000 0.0000 65.2655 31.6919 177.5953 14 N 4.4546 8.3142 116.4816 56.0934 38.9218 175.6083 15 C 4.4406 8.0068 110.1615 57.2228 30.4474 173.3706 16 N 4.3531 8.9052 116.5613 54.5155 35.8176 175.4056 17 G 4.0346 8.3155 107.3359 45.2555 0.0000 176.5381 18 S 4.0039 7.6379 113.8717 59.4882 63.2443 175.8046 19 G 3.9823 8.5696 108.1110 44.9029 0.0000 172.5761 20 R 4.9991 7.6210 117.6462 54.4836 33.8449 175.4077 21 E 4.6643 9.1934 119.6045 55.1605 29.5547 174.6995 22 E 4.1027 7.7131 117.8609 55.9460 30.5468 175.8370 23 P 4.7744 0.0000 0.0000 62.7912 31.9941 175.0729 24 E 4.7937 7.8263 117.9535 54.0379 32.6834 173.8566 25 P 4.6955 0.0000 0.0000 62.3628 32.2829 175.9138 26 C 4.1339 8.7441 121.8764 59.0083 31.6698 172.9848 27 P 4.3716 0.0000 0.0000 64.9911 31.2563 177.3295 28 K 4.1377 8.0673 119.8562 58.0774 32.6909 176.6460 29 C 4.6040 7.8851 110.6329 56.7794 30.4042 173.5775 30 L 3.4380 8.8607 120.9609 56.2898 40.4496 175.2005 31 G 4.0075 8.5065 103.7116 44.8235 0.0000 175.3034 32 K 4.0046 7.7959 118.8776 57.2356 32.4324 178.5395 33 G 4.0434 8.4807 105.3990 46.2226 0.0000 172.7652 34 V 5.1524 7.3126 111.0834 59.4475 35.9050 174.6040 35 I 4.7260 8.8017 115.5544 58.8561 41.0223 174.8718 36 L 4.7293 8.4780 123.0439 55.1561 42.7666 177.0805 37 T 4.3954 8.2987 112.5309 60.6351 71.2584 175.5117 38 A 3.9731 8.6039 122.0625 55.3912 18.3032 179.4228 39 Q 3.9783 8.1052 117.7451 59.3699 29.1798 178.5871 40 G 3.6386 8.1124 106.7720 47.8170 0.0000 175.6600 41 S 4.1315 8.2492 115.4712 61.3840 62.2924 176.2534 42 T 3.8868 8.1678 118.7107 66.6952 68.2226 176.6274 43 L 4.0705 7.9866 120.7397 57.6959 41.6609 179.2470 44 L 3.9906 8.1420 120.3981 58.4616 42.0543 178.3954 45 H 4.0797 8.5578 118.3930 59.1602 29.8562 176.9000 46 F 4.2758 8.1592 122.2985 61.4354 39.2024 177.1775 47 I 3.3828 7.9475 119.1841 64.2222 36.9752 178.2956 48 K 3.7580 8.0552 119.4211 59.4901 31.7122 178.9463 49 K 3.6075 7.5096 117.9855 59.9471 32.1653 177.9839 50 H 4.2960 7.5125 113.2278 56.9498 28.8450 176.6383 51 I 4.0791 7.5829 120.1988 62.2555 38.5308 175.2411 52 H 4.4998 8.3228 120.1434 55.9868 28.9795 174.7200 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 M 8.30 4.42 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 V 8.67 3.48 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 0.82 0.00 0.00 0.92 0.00 0.00 3 I 7.94 4.46 1.87 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 1.34 0.78 0.91 0.00 0.00 4 A 9.15 4.60 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 5 T 8.47 3.89 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 6 D 8.00 4.61 0.00 2.83 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 7 D 8.03 4.56 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.69 0.00 1.74 1.70 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.91 5.24 0.00 2.02 1.87 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 2.35 2.31 0.00 10 T 9.04 4.80 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 11 T 8.59 4.28 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 12 C 8.99 4.39 0.00 3.01 2.89 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 13 P 0.00 4.41 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 14 N 8.31 4.45 0.00 2.72 2.91 0.00 0.00 6.85 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 15 C 8.01 4.44 0.00 3.16 3.15 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 16 N 8.91 4.35 0.00 2.86 2.94 0.00 0.00 7.16 9.00 0.00 0.00 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 G 8.32 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 18 S 7.64 4.00 0.00 4.03 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 19 G 8.57 3.98 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 0.00 0.00 0.00 20 R 7.62 5.00 0.00 1.79 1.81 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 21 E 9.19 4.66 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 22 E 7.71 4.10 0.00 2.00 1.89 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 2.32 2.30 0.00 23 P 0.00 4.77 0.00 2.17 2.12 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 24 E 7.83 4.79 0.00 1.99 1.84 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 2.20 2.34 0.00 25 P 0.00 4.70 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 26 C 8.74 4.13 0.00 2.97 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 27 P 0.00 4.37 0.00 2.22 2.17 0.00 3.89 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 1.99 1.95 0.00 28 K 8.07 4.14 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 29 C 7.89 4.60 0.00 3.26 3.11 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 30 L 8.86 3.44 0.00 1.79 1.76 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.51 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 32 K 7.80 4.00 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 33 G 8.48 4.04 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 0.00 34 V 7.31 5.15 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 0.78 0.00 0.00 0.99 0.00 0.00 35 I 8.80 4.73 1.88 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 1.33 1.32 0.91 0.00 0.00 36 L 8.48 4.73 0.00 1.57 1.65 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.30 4.40 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 1.24 0.00 0.00 38 A 8.60 3.97 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 39 Q 8.11 3.98 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.13 0.00 3.97 4.07 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 42 T 8.17 3.89 4.40 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 1.20 0.00 0.00 43 L 7.99 4.07 0.00 1.75 1.78 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.14 3.99 0.00 1.90 1.71 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.56 4.08 0.00 3.34 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.16 4.28 0.00 3.17 3.28 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 47 I 7.95 3.38 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.77 0.87 0.00 0.00 48 K 8.06 3.76 0.00 1.81 1.81 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 K 7.51 3.61 0.00 1.68 1.87 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.16 1.36 7.81 50 H 7.51 4.30 0.00 2.71 3.10 0.00 5.67 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 51 I 7.58 4.08 1.90 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 1.46 0.45 0.88 0.00 0.00 52 H 8.32 4.50 0.00 3.20 3.41 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00