NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1364 8.2649 123.5819 52.4362 19.2104 177.7338 2 K 3.8123 8.7917 123.8342 56.5861 31.2680 173.0825 3 T 4.5616 8.9907 113.4485 64.9117 75.3510 171.0979 4 I 3.5991 7.7011 127.8625 60.0876 37.4035 172.2471 5 K 4.8974 8.2497 122.5518 54.8774 34.7706 176.0103 6 I 4.3682 8.7335 125.3919 61.0496 39.7567 174.5552 7 T 4.5391 7.8118 116.7279 63.4819 72.4694 174.7976 8 Q 4.1418 9.1017 125.5601 58.4462 29.4920 178.7701 9 T 3.5108 8.1995 103.2114 62.3490 68.7276 171.9756 10 R 4.5259 7.9618 121.2224 54.4116 33.8732 175.0015 11 S 4.1206 8.8380 118.0296 58.9136 63.1509 173.8623 12 A 4.5342 8.4106 127.3831 52.2982 19.8020 178.9940 13 I 3.7138 8.1453 120.6627 65.3117 36.4285 177.8277 14 G 3.8843 8.8614 113.9923 46.9879 0.0000 174.2642 15 R 4.2268 7.5373 118.6500 55.5101 30.8357 177.2117 16 L 4.1656 8.4036 119.6984 54.5479 43.6262 176.9751 17 P 4.2436 0.0000 0.0000 65.4840 31.3871 179.0490 18 K 4.0202 7.9435 118.3532 59.4337 32.2491 178.5799 19 H 4.3412 7.9486 116.1404 58.7929 28.9106 177.2894 20 K 3.8544 8.2686 120.3368 59.7113 31.7921 178.9648 21 A 3.9752 8.0555 120.7354 55.4825 18.3058 179.8605 22 T 3.8438 7.8451 107.5922 64.6714 68.5479 176.5394 23 L 4.0471 7.8287 121.7436 57.4021 41.5832 178.8611 24 L 4.1488 7.8186 117.7685 56.7777 41.5493 178.6527 25 G 3.9223 7.4809 104.4800 45.6432 0.0000 175.1164 26 L 4.5351 7.6439 118.7618 53.3731 42.6851 175.6738 27 G 3.7248 8.1552 110.5600 45.2058 0.0000 172.2743 28 L 4.1494 7.5556 119.1802 55.1537 40.2921 175.2633 29 R 4.0479 7.9259 124.7751 58.3555 30.8725 181.1150 30 R 4.2230 7.4964 121.6195 56.1882 31.1998 177.8270 31 I 3.8252 8.0759 110.1749 61.4495 35.1062 170.6429 32 G 3.6926 8.7925 120.9893 45.8933 0.0000 171.5380 33 H 4.2344 8.7195 125.0450 56.5268 30.2763 174.8991 34 T 4.1637 7.5616 113.3517 64.6200 66.2441 172.8053 35 V 3.7376 7.5040 120.5479 61.3635 32.5914 174.8193 36 E 4.7260 8.6392 124.7750 54.9221 29.7635 174.3017 37 R 3.9803 7.6009 129.0569 56.2473 30.0220 178.0957 38 E 4.6805 7.6596 120.3692 56.4251 33.8563 173.9995 39 D 4.8275 8.8878 113.1489 52.9754 41.1461 175.3965 40 T 4.5693 7.3696 118.1190 61.0611 70.6484 174.7081 41 P 4.3326 0.0000 0.0000 64.8140 31.3831 177.7523 42 A 4.1886 7.4759 122.4179 54.6702 19.1499 179.4564 43 I 3.7931 7.5499 108.2962 62.9728 38.2109 178.0665 44 R 4.1158 8.7062 121.5908 57.9241 30.2141 178.0137 45 G 3.6899 7.6485 104.7057 46.4237 0.0000 175.1544 46 M 4.2566 7.5181 120.5043 57.9054 31.8095 178.1097 47 I 3.6139 7.1768 119.9211 64.7598 37.1496 177.7145 48 N 4.2386 8.3037 115.8839 56.3753 36.7275 176.4485 49 A 4.1575 7.7800 121.9221 54.4859 19.0910 179.7767 50 V 3.7811 7.2178 109.4898 61.1152 32.3018 178.2848 51 S 4.1808 7.9569 116.9698 61.2594 63.4708 175.9049 52 F 4.4740 7.9724 111.6875 57.7211 37.3985 175.2763 53 M 4.8895 7.5686 121.7021 54.0233 33.1162 175.3805 54 V 5.3506 7.6243 111.6083 60.5122 35.6301 174.4800 55 K 4.4519 8.6856 127.4287 55.0705 33.6728 175.5184 56 V 4.5224 8.3149 126.2578 61.0856 33.6220 173.8751 57 E 4.5608 8.5740 129.3526 54.4033 31.6209 175.4811 58 E 4.1949 8.7220 126.5534 56.3348 29.7783 175.3017 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 A 8.26 4.14 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 2 K 8.79 3.81 0.00 2.16 1.88 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.52 7.81 3 T 8.99 4.56 4.29 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 1.25 0.00 0.00 4 I 7.70 3.60 1.86 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 1.42 1.80 0.94 0.00 0.00 5 K 8.25 4.90 0.00 1.67 1.67 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 6 I 8.73 4.37 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.88 0.00 0.00 7 T 7.81 4.54 4.22 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 1.19 0.00 0.00 8 Q 9.10 4.14 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.00 0.00 0.00 0.00 0.00 0.00 2.58 2.24 0.00 9 T 8.20 3.51 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 1.20 0.00 0.00 10 R 7.96 4.53 0.00 1.78 1.89 0.00 3.64 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 11 S 8.84 4.12 0.00 3.98 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 12 A 8.41 4.53 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 13 I 8.15 3.71 1.89 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 1.36 0.92 0.93 0.00 0.00 14 G 8.86 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 15 R 7.54 4.23 0.00 2.07 2.04 0.00 3.34 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 16 L 8.40 4.17 0.00 1.53 1.55 0.91 1.09 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 17 P 0.00 4.24 0.00 2.15 2.10 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 18 K 7.94 4.02 0.00 1.79 1.72 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 19 H 7.95 4.34 0.00 3.43 3.32 0.00 5.71 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 20 K 8.27 3.85 0.00 1.95 1.91 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.73 7.81 21 A 8.06 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 3.84 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 1.29 0.00 0.00 23 L 7.83 4.05 0.00 1.90 1.73 0.86 0.49 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 24 L 7.82 4.15 0.00 1.77 1.73 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.48 3.92 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 0.00 26 L 7.64 4.54 0.00 1.58 1.71 0.88 1.35 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 27 G 8.16 3.72 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 0.00 0.00 0.00 28 L 7.56 4.15 0.00 1.70 1.66 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.93 4.05 0.00 1.80 1.88 0.00 3.25 0.00 0.00 3.21 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 30 R 7.50 4.22 0.00 1.81 1.93 0.00 3.22 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 I 8.08 3.83 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 1.35 0.52 0.91 0.00 0.00 32 G 8.79 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 33 H 8.72 4.23 0.00 3.07 3.35 0.00 6.08 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.56 4.16 4.16 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 0.00 0.00 0.00 1.23 0.00 0.00 35 V 7.50 3.74 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 0.86 0.00 0.00 0.96 0.00 0.00 36 E 8.64 4.73 0.00 1.94 1.91 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 2.23 2.28 0.00 37 R 7.60 3.98 0.00 1.82 1.70 0.00 3.49 0.00 0.00 3.14 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 38 E 7.66 4.68 0.00 1.90 1.79 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 2.11 2.14 0.00 39 D 8.89 4.83 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.37 4.57 4.32 0.00 0.00 0.00 0.00 0.00 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 41 P 0.00 4.33 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 42 A 7.48 4.19 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 43 I 7.55 3.79 1.86 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 1.29 0.74 0.91 0.00 0.00 44 R 8.71 4.12 0.00 1.81 2.10 0.00 3.08 0.00 0.00 3.17 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 45 G 7.65 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 46 M 7.52 4.26 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 47 I 7.18 3.61 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.07 0.89 0.00 0.00 48 N 8.30 4.24 0.00 2.88 3.00 0.00 0.00 5.98 7.26 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 49 A 7.78 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 3.78 1.79 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 0.56 0.00 0.00 0.86 0.00 0.00 51 S 7.96 4.18 0.00 4.01 4.36 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 52 F 7.97 4.47 0.00 3.19 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 53 M 7.57 4.89 0.00 1.88 1.74 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 2.33 0.00 54 V 7.62 5.35 2.03 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 0.73 0.00 0.00 0.97 0.00 0.00 55 K 8.69 4.45 0.00 1.74 1.67 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 56 V 8.31 4.52 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 0.87 0.00 0.00 0.91 0.00 0.00 57 E 8.57 4.56 0.00 2.02 1.77 0.00 0.00 0.00 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 2.22 0.00 58 E 8.72 4.19 0.00 1.93 1.79 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 2.22 2.34 0.00