NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1602 8.2649 123.5819 52.7013 19.7680 178.0114 2 K 3.6826 8.6311 123.7287 56.9400 31.4031 171.6973 3 T 4.6312 9.2694 113.4406 64.2364 76.4400 170.8271 4 I 3.6435 7.7002 127.8882 59.7781 37.5693 172.3196 5 K 4.9274 8.2544 122.1491 54.8469 35.1640 175.4783 6 I 4.8907 8.6166 124.2093 60.6131 40.5461 174.4263 7 T 4.6561 7.8143 117.8749 63.3729 73.1304 174.9892 8 Q 4.2338 9.2110 124.2137 58.2534 29.5175 178.5829 9 T 3.5378 8.2216 103.4705 62.2716 68.6079 171.9809 10 R 4.5563 7.8267 121.2875 54.5367 34.0800 175.0289 11 S 4.1847 8.7445 118.1436 58.6345 63.3923 173.8021 12 A 4.4546 8.3560 126.5772 52.6100 18.3981 178.9658 13 I 3.7108 7.3136 121.9521 65.4980 37.5884 177.4933 14 G 3.8259 7.9747 112.1278 46.2367 0.0000 173.8021 15 R 4.1925 7.2636 118.4101 55.5961 30.9067 177.1487 16 L 4.1619 8.4178 119.4186 54.7084 43.6861 177.0322 17 P 4.3202 0.0000 0.0000 65.3182 31.0590 179.1077 18 K 3.9966 7.8774 117.8263 59.5706 32.3738 178.2836 19 H 4.4564 8.0854 116.0523 58.9523 28.7687 177.4934 20 K 3.8647 8.2490 119.9790 59.9713 30.6246 178.9451 21 A 4.0862 8.1044 120.6759 54.9911 18.2047 179.5757 22 T 4.0734 8.2452 108.4241 64.2846 68.9891 177.0028 23 L 4.0499 7.8121 121.9192 57.3642 41.7466 178.4570 24 L 4.3334 7.7284 117.1962 56.3709 41.5687 178.3499 25 G 4.0150 7.2909 104.2564 44.8291 0.0000 174.7707 26 L 4.5683 7.6073 119.5837 53.3551 42.7403 175.1144 27 G 3.7027 8.4708 111.0889 45.1376 0.0000 172.3269 28 L 4.1532 7.5814 119.8482 54.9573 40.5132 175.2016 29 R 3.9676 8.0267 125.5960 58.0125 30.5821 181.7931 30 R 4.2293 7.7838 124.1086 56.5385 30.9453 177.4356 31 I 3.8783 8.0960 109.4792 61.0463 35.7398 171.0908 32 G 3.6353 8.3441 119.9237 46.0236 0.0000 171.2163 33 H 4.2574 8.5966 124.0536 56.7388 30.3230 174.9416 34 T 4.1782 7.6244 113.4418 64.5721 66.3035 172.8135 35 V 3.7273 7.4850 120.4369 61.4719 32.6036 174.6917 36 E 4.3870 8.6109 124.9249 56.6515 29.5387 174.4136 37 R 3.9545 8.3700 130.1508 56.9739 29.5421 177.6259 38 E 4.6152 8.0256 120.7241 55.6973 33.5686 174.4482 39 D 4.8601 9.0639 115.3233 52.9348 41.1559 175.2784 40 T 4.5680 7.3533 118.0843 61.0877 70.4969 174.7351 41 P 4.3439 0.0000 0.0000 65.0000 31.2013 177.4948 42 A 4.2048 7.3656 121.3973 54.4218 17.7145 179.0302 43 I 3.7392 7.6227 110.7138 63.0642 37.7400 177.8047 44 R 4.2796 8.3147 119.6153 57.7233 30.2000 177.8052 45 G 3.8084 7.9976 106.0713 46.6852 0.0000 175.2614 46 M 4.2512 7.8077 120.7146 58.3337 32.4880 177.7165 47 I 3.5140 7.3887 118.5421 64.9463 37.0877 177.4646 48 N 4.2561 8.2389 117.8143 56.5094 36.8521 176.4966 49 A 4.1502 7.7070 122.0402 54.4385 19.0637 179.7072 50 V 3.8182 7.4311 109.5545 61.0351 32.4361 178.2783 51 S 4.1691 7.9576 116.9332 61.2757 63.4029 175.7516 52 F 4.6110 7.8957 112.2705 57.5855 37.7278 175.2392 53 M 4.8914 7.4212 121.1533 53.9602 32.9316 175.5089 54 V 5.4043 7.5793 110.7956 61.1708 35.7526 174.1710 55 K 4.4519 8.7199 127.3114 55.1161 34.2258 174.9574 56 V 4.7117 8.2980 126.0480 61.0831 33.6688 173.9002 57 E 4.5853 8.7733 128.9931 54.3884 31.7487 175.4731 58 E 4.2047 8.7068 126.3424 56.3206 29.7827 175.2550 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 4.16 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 2 K 8.63 3.68 0.00 2.12 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.52 7.81 3 T 9.27 4.63 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 4 I 7.70 3.64 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 2.02 0.95 0.00 0.00 5 K 8.25 4.93 0.00 1.66 1.66 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 I 8.62 4.89 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 1.07 0.88 0.00 0.00 7 T 7.81 4.66 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 9.21 4.23 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.00 0.00 0.00 0.00 0.00 0.00 2.59 2.24 0.00 9 T 8.22 3.54 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 7.83 4.56 0.00 1.80 1.89 0.00 3.55 0.00 0.00 3.40 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 8.74 4.18 0.00 3.98 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 12 A 8.36 4.45 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 7.31 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 0.84 0.93 0.00 0.00 14 G 7.97 3.83 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 0.00 0.00 0.00 15 R 7.26 4.19 0.00 2.19 2.05 0.00 3.33 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 16 L 8.42 4.16 0.00 1.55 1.55 0.91 1.07 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 17 P 0.00 4.32 0.00 2.15 2.10 0.00 3.58 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 2.11 2.14 0.00 18 K 7.88 4.00 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.53 7.81 19 H 8.09 4.46 0.00 3.43 3.34 0.00 5.72 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 8.25 3.86 0.00 1.97 1.92 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.70 7.81 21 A 8.10 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.07 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 1.36 0.00 0.00 23 L 7.81 4.05 0.00 1.84 1.73 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.73 4.33 0.00 1.74 1.73 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.29 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 0.00 0.00 0.00 26 L 7.61 4.57 0.00 1.56 1.71 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.47 3.70 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 0.00 28 L 7.58 4.15 0.00 1.71 1.66 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.03 3.97 0.00 1.80 1.84 0.00 3.25 0.00 0.00 3.21 7.99 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 7.78 4.23 0.00 1.81 1.94 0.00 3.21 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 1.63 0.00 31 I 8.10 3.88 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 8.34 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 33 H 8.60 4.26 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 7.62 4.18 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 1.22 0.00 0.00 35 V 7.49 3.73 2.16 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 0.92 0.00 0.00 0.97 0.00 0.00 36 E 8.61 4.39 0.00 1.99 1.92 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 2.24 2.29 0.00 37 R 8.37 3.95 0.00 1.97 1.68 0.00 3.50 0.00 0.00 3.15 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 38 E 8.03 4.62 0.00 1.95 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 2.12 2.17 0.00 39 D 9.06 4.86 0.00 2.57 2.63 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 40 T 7.35 4.57 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 1.23 0.00 0.00 41 P 0.00 4.34 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 2.12 2.10 0.00 42 A 7.37 4.20 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 7.62 3.74 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 1.52 0.75 0.91 0.00 0.00 44 R 8.31 4.28 0.00 1.77 2.13 0.00 3.25 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 45 G 8.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.25 0.00 2.06 2.29 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 2.85 2.62 0.00 47 I 7.39 3.51 2.00 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 1.78 1.34 0.88 0.00 0.00 48 N 8.24 4.26 0.00 2.88 3.00 0.00 0.00 5.97 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 7.71 4.15 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 7.43 3.82 1.78 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 0.57 0.00 0.00 0.91 0.00 0.00 51 S 7.96 4.17 0.00 4.01 4.34 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 52 F 7.90 4.61 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.89 0.00 1.83 1.75 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.05 0.00 54 V 7.58 5.40 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 0.70 0.00 0.00 0.94 0.00 0.00 55 K 8.72 4.45 0.00 1.78 1.63 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.36 7.81 56 V 8.30 4.71 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 8.77 4.59 0.00 2.09 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 2.20 2.22 0.00 58 E 8.71 4.20 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 2.21 2.34 0.00