NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4172 8.3349 116.7966 57.9773 63.0996 171.5724 2 R 3.8832 8.1006 125.9774 55.2148 28.8797 169.4687 3 V 4.3900 7.8161 120.0646 61.2037 35.1567 173.3229 4 C 4.3664 8.9245 128.8884 59.4271 31.2241 174.1731 5 Q 4.2545 8.7547 127.6044 57.6557 28.4904 177.6337 6 V 4.1778 7.7116 116.3671 61.9442 33.1340 176.5275 7 T 4.2494 8.0031 107.9865 60.8162 69.9614 175.4068 8 G 3.8420 8.5814 110.5053 44.7726 0.0000 173.1717 9 K 4.0416 7.9942 120.3140 57.1161 32.9110 176.3367 10 R 5.2024 8.2323 120.6897 52.3345 32.6550 173.7358 11 P 4.6342 0.0000 0.0000 62.8879 32.0934 176.4847 12 V 4.7022 9.1697 116.4183 59.8829 35.4225 174.6924 13 T 5.0337 7.6120 111.6729 60.0144 71.2813 173.4856 14 G 4.2275 8.0671 108.1071 46.5700 0.0000 171.7993 15 N 5.4440 8.8002 117.9497 52.4689 40.5694 175.1424 16 N 4.3633 8.6895 115.7250 55.8978 39.3719 174.8004 17 R 3.7401 8.2055 122.3724 55.8846 26.3358 176.3085 18 S 4.4843 8.2652 117.7137 57.8126 64.4611 175.6996 19 H 4.0696 8.9221 116.3725 59.3591 28.2833 177.0902 20 A 4.0615 7.9332 118.1116 52.9549 18.0557 177.2834 21 L 3.7612 7.9628 114.8783 55.5157 39.5288 174.0270 22 N 4.6891 8.2418 117.3812 52.6321 39.2852 174.8064 23 A 4.3261 8.6021 126.4032 52.4391 19.8734 176.9230 24 T 4.5355 8.3172 117.1835 61.7862 72.7326 173.7218 25 K 4.4700 8.7834 126.4833 57.4403 32.9498 176.4453 26 R 4.5447 8.5971 118.1311 55.7346 32.9357 173.3316 27 R 4.8739 8.2223 116.4432 54.7630 33.7742 175.1213 28 F 4.9717 8.9410 121.6727 55.9902 41.1224 174.9465 29 L 5.2344 8.3595 121.9195 53.3081 43.6543 174.2985 30 P 4.5488 0.0000 0.0000 62.5320 32.4649 176.4698 31 N 4.6576 8.3094 118.8386 53.1437 37.4152 174.0663 32 L 4.8734 7.8237 122.7618 54.5940 43.0401 175.3412 33 H 4.9139 9.2986 114.2443 55.1524 36.5298 173.1184 34 S 3.7646 8.6451 111.5135 59.0708 61.9844 170.6952 35 H 4.8012 9.3021 124.1029 54.1139 33.4593 172.3911 36 R 4.3930 8.0447 123.9572 55.7570 30.5032 175.6556 37 F 4.9686 9.2163 123.4973 55.4103 41.8031 174.7749 38 W 5.0462 9.2177 132.7951 57.1721 31.2616 175.9262 39 V 3.8534 6.8418 118.6856 62.4830 32.1806 177.3377 40 E 4.0965 6.5427 120.1340 56.9972 29.4902 174.7347 41 S 4.3370 7.6424 109.9939 59.3345 62.6481 173.4555 42 E 4.4287 7.2906 116.0911 55.0930 31.8180 174.3007 43 K 3.4713 7.6126 116.2403 57.1962 29.6457 173.1398 44 R 4.4528 5.8652 116.5122 55.3957 34.5633 174.0179 45 F 5.6006 8.7414 120.8944 56.2972 40.3839 175.6745 46 V 4.3359 8.4938 118.5852 60.2096 33.5514 175.4268 47 T 5.4811 8.5606 120.2077 59.5847 68.0938 173.0150 48 L 4.4440 8.5892 128.0217 53.9514 44.0434 176.3072 49 R 4.7736 8.5924 122.8710 55.6874 30.7925 174.9836 50 V 4.9681 8.3726 126.2819 60.8419 35.3634 174.6965 51 S 5.5728 8.8552 120.2493 57.0156 64.8070 173.2863 52 A 4.2082 8.4489 123.2036 53.8790 18.8017 176.1278 53 K 4.4600 9.3712 125.1034 57.0062 31.4579 178.7293 54 G 3.7666 7.8973 104.5146 48.2452 0.0000 175.3144 55 M 4.1312 8.2955 121.1393 58.3039 30.6144 179.0302 56 R 3.9482 8.2222 117.3788 58.8968 30.1781 178.9505 57 V 3.8752 7.5351 117.9242 65.5738 31.6235 177.9788 58 I 3.6127 7.5106 119.0986 64.5963 36.7747 177.9520 59 D 4.4386 7.9779 118.4075 57.4772 40.6495 176.9195 60 K 4.3083 7.2567 116.8088 57.0251 33.7329 177.3215 61 K 3.9250 8.0966 121.2919 57.4474 33.0300 178.2093 62 G 3.9406 8.1359 106.4086 45.9987 0.0000 173.8649 63 I 3.5010 8.6254 124.5150 64.7862 36.8450 178.3522 64 D 4.6112 8.1305 118.4649 57.2577 40.5405 178.8842 65 T 3.8632 7.9123 116.5195 65.9989 68.5626 177.1956 66 V 3.4683 7.4859 118.3676 66.0667 31.6103 177.8053 67 L 3.5405 8.2119 118.1955 56.7944 41.3198 179.4298 68 A 3.9644 7.2062 121.1398 55.0749 18.3717 177.7149 69 E 4.3887 7.8005 115.0435 57.4073 31.8284 174.8752 70 L 3.8706 8.6028 120.4372 56.2977 40.2931 176.9812 71 R 3.8881 7.9982 116.9113 59.6637 30.1831 178.5700 72 A 4.1593 7.8035 117.2198 53.0569 18.6125 177.7137 73 R 4.4192 7.2178 111.3717 55.0526 30.6580 176.7691 74 G 4.1114 8.6457 107.1547 45.7567 0.0000 174.4596 75 E 4.0860 7.9909 118.5410 56.1727 29.6645 176.7045 76 K 3.7748 8.6984 122.0353 59.2258 33.0325 176.4407 77 Y 4.2049 7.7469 122.7543 56.3847 39.5751 172.0671 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 S 8.33 4.42 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.88 0.00 1.96 1.93 0.00 3.13 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 3 V 7.82 4.39 2.21 0.00 0.00 0.00 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 4 C 8.92 4.37 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.75 4.25 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 6 V 7.71 4.18 1.98 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 0.73 0.00 0.00 0.87 0.00 0.00 7 T 8.00 4.25 4.23 0.00 0.00 0.00 0.00 0.00 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 8 G 8.58 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 0.00 0.00 0.00 9 K 7.99 4.04 0.00 1.75 1.80 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 10 R 8.23 5.20 0.00 1.79 1.91 0.00 2.65 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 11 P 0.00 4.63 0.00 1.99 2.06 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 12 V 9.17 4.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.05 0.00 0.00 13 T 7.61 5.03 4.28 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 1.23 0.00 0.00 14 G 8.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 5.44 0.00 2.64 2.79 0.00 0.00 6.82 8.00 0.00 0.00 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 8.69 4.36 0.00 2.61 2.83 0.00 0.00 7.11 6.96 0.00 0.00 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 8.21 3.74 0.00 2.00 2.06 0.00 3.39 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 18 S 8.27 4.48 0.00 3.96 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 19 H 8.92 4.07 0.00 3.12 3.42 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.93 4.06 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 21 L 7.96 3.76 0.00 1.83 1.84 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.24 4.69 0.00 2.66 2.75 0.00 0.00 6.94 6.78 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 23 A 8.60 4.33 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.54 4.21 0.00 0.00 0.00 0.00 0.00 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 25 K 8.78 4.47 0.00 1.62 1.74 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 26 R 8.60 4.54 0.00 1.69 1.89 0.00 2.21 0.00 0.00 2.67 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 27 R 8.22 4.87 0.00 1.61 1.81 0.00 3.18 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 28 F 8.94 4.97 0.00 3.02 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 29 L 8.36 5.23 0.00 1.61 1.61 0.93 0.69 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 30 P 0.00 4.55 0.00 2.19 2.10 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 31 N 8.31 4.66 0.00 2.83 2.79 0.00 0.00 6.89 6.66 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 32 L 7.82 4.87 0.00 1.51 1.58 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.30 4.91 0.00 3.18 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.65 3.76 0.00 4.14 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 35 H 9.30 4.80 0.00 3.05 3.02 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.04 4.39 0.00 1.28 1.14 0.00 2.89 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 37 F 9.22 4.97 0.00 3.12 3.04 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 38 W 9.22 5.05 0.00 3.96 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 39 V 6.84 3.85 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 0.68 0.00 0.00 0.44 0.00 0.00 40 E 6.54 4.10 0.00 2.50 2.17 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 2.26 2.47 0.00 41 S 7.64 4.34 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.29 4.43 0.00 1.76 1.67 0.00 0.00 0.00 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 2.26 0.00 43 K 7.61 3.47 0.00 1.82 1.83 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.65 7.81 44 R 5.87 4.45 0.00 1.72 1.53 0.00 3.14 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 F 8.74 5.60 0.00 3.09 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 V 8.49 4.34 2.33 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 0.82 0.00 0.00 1.09 0.00 0.00 47 T 8.56 5.48 4.26 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 1.27 0.00 0.00 48 L 8.59 4.44 0.00 1.78 1.61 0.62 0.88 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 49 R 8.59 4.77 0.00 1.94 1.87 0.00 3.14 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 50 V 8.37 4.97 2.28 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 1.07 0.00 0.00 0.98 0.00 0.00 51 S 8.86 5.57 0.00 4.00 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 52 A 8.45 4.21 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 53 K 9.37 4.46 0.00 1.86 2.21 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.32 7.81 54 G 7.90 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 55 M 8.30 4.13 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.80 0.00 56 R 8.22 3.95 0.00 1.85 2.01 0.00 3.12 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 57 V 7.54 3.88 2.28 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 1.00 0.00 0.00 0.99 0.00 0.00 58 I 7.51 3.61 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.10 0.87 0.00 0.00 59 D 7.98 4.44 0.00 2.81 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 60 K 7.26 4.31 0.00 1.80 1.78 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.58 7.81 61 K 8.10 3.93 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.47 7.81 62 G 8.14 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 0.00 0.00 0.00 63 I 8.63 3.50 1.82 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.53 0.72 0.00 0.00 64 D 8.13 4.61 0.00 2.65 2.70 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 65 T 7.91 3.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 66 V 7.49 3.47 1.99 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 0.68 0.00 0.00 0.87 0.00 0.00 67 L 8.21 3.54 0.00 1.36 0.69 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.21 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.80 4.39 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 70 L 8.60 3.87 0.00 1.78 1.75 0.76 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.00 3.89 0.00 2.12 2.20 0.00 3.15 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 72 A 7.80 4.16 1.32 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 0.00 0.00 0.00 73 R 7.22 4.42 0.00 1.98 2.01 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 G 8.65 4.11 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 0.00 75 E 7.99 4.09 0.00 2.01 1.96 0.00 0.00 0.00 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 2.32 0.00 76 K 8.70 3.77 0.00 1.86 1.91 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 77 Y 7.75 4.20 0.00 3.14 3.19 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