NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4973 8.3349 115.3072 57.6226 63.8178 173.2738 8 D 4.5977 8.4482 124.7553 53.1505 41.7862 174.6029 9 F 5.4155 8.9245 116.7897 55.6706 41.8765 173.4326 10 V 4.6322 9.1643 112.7588 59.5788 35.3869 174.7818 11 V 4.8022 8.9297 124.3921 61.2722 33.9727 174.3085 12 I 4.9305 9.0448 128.7927 59.4446 40.3491 174.1788 13 K 5.0475 9.2975 129.2822 54.2833 34.4306 175.0364 14 A 4.4818 8.9058 130.2710 52.1459 19.2159 177.4624 15 L 4.7413 9.0285 122.1274 54.6868 42.5973 175.7503 16 E 4.7594 7.7010 115.8151 54.8602 32.7406 174.4786 17 D 4.4131 8.5849 119.8544 55.0190 41.6940 176.8503 18 G 3.8300 8.8308 109.0630 46.0795 0.0000 174.1155 19 V 3.9658 7.6299 119.5935 62.7659 32.9541 174.5637 20 N 5.4170 9.0701 123.4687 51.3905 42.1294 173.3757 21 V 4.6207 8.7776 123.8378 61.1876 33.9621 174.1392 22 I 4.7296 8.7375 129.3811 59.3520 39.9452 174.7713 23 G 4.1329 8.7722 114.7270 44.9825 0.0000 172.4644 24 L 5.5234 8.6981 125.3379 53.0122 44.1921 176.2484 25 T 4.5621 8.6262 113.9097 61.7877 69.4898 174.1800 26 R 4.4659 7.7546 125.5788 56.2502 30.9807 175.5250 27 G 3.7725 8.8271 110.3699 43.9106 0.0000 172.8369 28 A 4.0843 8.5834 121.8298 54.6707 18.5733 178.0335 29 D 4.8299 7.7813 113.7705 53.4293 42.5502 176.1242 30 T 4.7654 8.2248 117.5864 62.0408 71.5328 173.2765 31 R 4.6574 8.9025 122.2132 54.3287 33.8434 174.1826 32 F 5.2606 8.5422 118.9468 58.0602 38.9433 175.2914 33 H 4.9517 8.9683 118.8672 56.1463 30.1846 174.2131 34 H 4.6653 7.5642 116.7305 55.2771 33.1979 172.0485 35 S 4.8428 8.3591 119.4899 56.4231 64.8629 172.2268 36 E 4.5166 9.1557 129.1077 54.4786 31.1643 174.5273 37 K 4.8090 8.5968 128.5289 55.7374 33.7518 175.5626 38 L 4.9495 8.9456 126.6773 53.1820 45.1020 176.2444 39 D 4.9570 9.2471 124.0699 52.3541 43.3664 175.9204 40 K 3.9607 8.7301 121.6160 58.4520 32.2688 177.0445 41 G 3.9991 9.0445 115.3901 45.1592 0.0000 173.4164 42 E 4.3479 8.0758 119.5624 56.1126 30.9301 175.9788 43 V 4.9371 8.2396 121.2266 61.0428 34.8993 174.2621 44 L 4.7816 9.1293 128.9514 53.2512 45.0978 174.8532 45 I 5.0544 8.4932 126.2987 59.5818 39.3248 174.7624 46 A 4.6748 8.9974 129.1030 50.1376 21.9362 175.4083 47 Q 4.7715 8.6621 121.1782 55.2161 30.3090 175.7302 48 F 4.7017 8.6568 120.3126 57.7816 38.8966 175.2898 49 T 4.6830 8.9621 111.1405 60.3004 71.8427 174.0134 50 E 4.1766 8.9054 121.2451 59.1712 29.7174 177.0936 51 H 4.6614 7.8380 114.1784 55.9335 29.9977 174.1035 52 T 5.1892 8.0669 116.8157 61.8880 71.4383 174.3094 53 S 5.1144 9.0623 119.6096 57.9824 64.8653 173.3848 54 A 5.1917 7.9636 121.4286 51.1191 22.6655 175.1947 55 I 4.9103 8.5418 120.4754 59.3576 40.7105 174.6884 56 K 4.5728 8.9666 128.3626 54.4739 34.7308 174.7027 57 V 4.7943 8.3643 126.3732 61.1308 33.8970 174.4925 58 R 4.5257 8.8040 127.0130 55.1425 32.6976 175.4702 59 G 4.1936 9.1094 110.3907 43.4935 0.0000 173.0301 60 K 4.1749 9.4749 121.9282 56.5003 33.0001 175.6852 61 A 5.1515 8.5065 127.9675 50.6317 23.4089 173.4907 62 Y 4.8814 9.1477 122.1069 56.2309 40.6788 174.5482 63 I 5.0472 8.2253 127.2121 59.5170 41.0764 174.4488 64 Q 5.0513 9.1361 125.3810 54.3874 32.3555 174.8128 65 T 4.6179 8.4376 112.4602 59.6749 72.3685 174.4155 66 R 3.8100 8.5643 120.3691 59.7295 29.9107 176.9987 67 H 4.5191 7.7946 113.2258 55.9953 29.7563 174.2944 68 G 3.7700 7.0672 105.7735 44.0774 0.0000 172.5863 69 V 4.6863 8.0850 120.6484 61.2178 34.3295 176.8091 70 I 4.4080 8.3812 126.2298 59.5992 41.0059 173.1704 71 E 5.0234 9.1071 130.2933 53.6550 32.2251 175.4441 72 S 4.5199 8.2775 120.3303 59.3488 64.2607 176.3958 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 7 S 8.33 4.50 0.00 3.93 3.95 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 0.00 0.00 0.00 8 D 8.45 4.60 0.00 2.90 2.77 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 9 F 8.92 5.42 0.00 3.06 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 10 V 9.16 4.63 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 0.64 0.00 0.00 0.89 0.00 0.00 11 V 8.93 4.80 2.18 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 1.16 0.00 0.00 1.19 0.00 0.00 12 I 9.04 4.93 1.88 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 1.09 0.46 0.92 0.00 0.00 13 K 9.30 5.05 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.91 4.48 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 4.74 0.00 1.60 1.72 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.76 0.00 1.92 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 2.18 2.34 0.00 17 D 8.58 4.41 0.00 2.58 2.72 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 18 G 8.83 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 19 V 7.63 3.97 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 20 N 9.07 5.42 0.00 2.64 2.57 0.00 0.00 6.49 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 21 V 8.78 4.62 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 0.85 0.00 0.00 0.90 0.00 0.00 22 I 8.74 4.73 1.36 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 -0.09 0.00 0.00 23 G 8.77 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 5.52 0.00 1.89 1.72 0.98 0.75 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 25 T 8.63 4.56 4.31 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 1.38 0.00 0.00 26 R 7.75 4.47 0.00 1.93 2.00 0.00 3.25 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.83 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 28 A 8.58 4.08 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 29 D 7.78 4.83 0.00 2.69 2.60 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 30 T 8.22 4.77 4.25 0.00 0.00 0.00 0.00 0.00 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 31 R 8.90 4.66 0.00 1.79 1.94 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 32 F 8.54 5.26 0.00 2.89 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 33 H 8.97 4.95 0.00 3.13 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.56 4.67 0.00 3.31 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.36 4.84 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.16 4.52 0.00 2.13 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 0.00 2.24 2.28 0.00 37 K 8.60 4.81 0.00 1.78 1.66 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 8.95 4.95 0.00 1.55 1.51 0.92 0.84 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 39 D 9.25 4.96 0.00 2.58 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 3.96 0.00 1.68 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.35 0.00 2.06 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 2.32 2.33 0.00 43 V 8.24 4.94 2.09 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 0.84 0.00 0.00 0.95 0.00 0.00 44 L 9.13 4.78 0.00 1.72 1.44 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.05 1.77 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 1.25 0.67 0.73 0.00 0.00 46 A 9.00 4.67 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.77 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 48 F 8.66 4.70 0.00 3.01 2.99 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 49 T 8.96 4.68 4.30 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 1.26 0.00 0.00 50 E 8.91 4.18 0.00 1.94 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 0.00 2.02 2.27 0.00 51 H 7.84 4.66 0.00 3.39 3.23 0.00 5.80 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 52 T 8.07 5.19 4.33 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 1.29 0.00 0.00 53 S 9.06 5.11 0.00 3.85 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.96 5.19 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 55 I 8.54 4.91 1.81 0.00 0.00 0.12 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 0.57 0.81 0.00 0.00 56 K 8.97 4.57 0.00 1.71 1.38 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.33 7.81 57 V 8.36 4.79 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.80 4.53 0.00 1.73 1.77 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 59 G 9.11 4.19 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 0.00 0.00 0.00 60 K 9.47 4.17 0.00 1.83 1.82 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.55 7.81 61 A 8.51 5.15 1.21 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 0.00 0.00 0.00 62 Y 9.15 4.88 0.00 3.07 2.83 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 63 I 8.23 5.05 1.83 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 1.20 0.65 0.90 0.00 0.00 64 Q 9.14 5.05 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 65 T 8.44 4.62 4.13 0.00 0.00 0.00 0.00 0.00 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 R 8.56 3.81 0.00 1.62 1.84 0.00 3.21 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 67 H 7.79 4.52 0.00 3.17 3.28 0.00 5.69 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 68 G 7.07 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 69 V 8.09 4.69 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 0.41 0.00 0.00 0.87 0.00 0.00 70 I 8.38 4.41 1.80 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 1.07 1.44 0.87 0.00 0.00 71 E 9.11 5.02 0.00 2.19 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 2.27 2.47 0.00 72 S 8.28 4.52 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00