NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1499 8.3349 115.2922 61.0338 64.2043 174.7714 3 R 3.3509 7.2453 114.2798 56.9169 26.8605 171.2096 4 V 4.4674 7.3531 110.3875 59.2845 35.7495 175.9677 5 C 4.0091 8.3459 123.8170 60.9642 31.6969 175.4162 6 Q 4.1313 8.3022 123.5727 56.4677 28.4270 174.3191 7 V 4.0485 7.6304 114.9106 62.7722 32.2850 176.5393 8 T 4.4021 7.9381 107.4192 60.3414 70.2136 174.8576 9 G 3.8253 8.5088 109.3360 44.5745 0.0000 172.4138 10 K 3.7345 7.7068 119.6983 57.0201 31.9037 176.4201 11 R 4.6822 8.1594 122.6434 53.6018 31.9932 174.5899 12 P 5.1169 0.0000 0.0000 62.4810 31.7720 176.3152 13 V 4.3187 8.5528 124.9561 62.0315 33.8886 174.7487 14 T 4.7824 8.1563 114.6593 60.4081 70.8805 173.2539 15 G 4.2337 7.5353 106.8719 46.0679 0.0000 171.1030 16 N 5.2554 8.7663 115.7891 51.3030 41.5476 174.8662 17 N 4.2636 8.7673 120.7189 55.1834 39.0524 176.0358 18 R 4.2496 7.9682 112.7369 56.6495 28.3148 174.8053 19 S 4.3753 7.5575 119.5836 57.1677 64.3480 173.8442 20 H 4.1154 8.5238 119.6852 57.9447 29.6868 174.7030 21 A 3.5269 8.2888 125.2060 51.2657 16.0408 177.4707 22 L 3.5764 7.5654 115.7307 55.1945 39.0982 172.5491 23 N 4.9012 7.9836 117.7697 50.4515 41.8340 174.1487 24 A 4.3080 8.7275 126.3635 53.2331 19.3677 178.0409 25 T 4.7204 8.2600 114.0878 61.1695 68.2925 174.1705 26 K 4.5368 7.5854 119.7528 55.8993 32.2544 177.4270 27 R 4.7765 9.3470 126.7639 55.3407 32.3269 176.0966 28 R 4.6224 7.7183 111.1615 55.5079 31.8019 174.3367 29 F 4.7832 9.6735 122.3801 55.7961 40.9724 174.5867 30 L 4.6933 8.4050 124.3378 53.3304 41.8837 174.8808 31 P 4.3651 0.0000 0.0000 62.7340 31.5642 175.8361 32 N 4.2855 8.4065 117.4036 55.0294 39.3013 173.1795 33 L 3.8018 7.5776 122.0442 55.2821 41.3554 173.3678 34 H 4.5869 9.0574 115.7462 54.9613 35.9891 170.8066 35 S 4.0525 8.5267 122.4815 57.9553 63.8627 169.6452 36 H 4.5904 9.3805 123.9370 54.1968 33.6305 172.7373 37 R 4.7610 7.5334 118.7345 54.1244 29.5926 174.8962 38 F 4.5818 8.8129 121.5095 57.0442 40.5305 174.5980 39 W 5.0181 9.3420 133.9796 56.1988 30.1575 176.5646 40 V 2.9839 8.4884 121.6829 62.4245 31.2934 175.6228 41 E 2.5400 6.0377 123.1325 56.4404 29.7059 176.0439 42 S 3.9262 7.6457 113.1379 61.5835 62.6363 175.4146 43 E 3.9121 7.8719 120.3742 55.3347 29.5951 176.7156 44 K 3.7047 7.4083 117.4030 57.6184 31.5085 174.1842 45 R 4.8809 6.7805 115.7295 53.4899 33.2340 175.5626 46 F 6.3000 8.5143 120.5783 55.9036 38.7259 176.9421 47 V 3.5431 8.0278 111.7379 62.6380 32.7609 176.2718 48 T 5.3401 8.5288 120.5359 60.3564 68.2659 173.5764 49 L 4.8427 8.6934 128.4323 52.3794 45.0698 176.7302 50 R 4.4761 8.2477 123.9165 55.7943 27.5889 175.9550 51 V 4.4190 8.0300 122.3281 61.9756 33.9609 175.2384 52 S 5.2903 8.5060 119.1541 56.0534 65.7965 173.0692 53 A 4.1104 8.7225 123.1457 53.5767 18.7210 177.5648 54 K 4.1458 9.2450 125.6403 58.0410 32.3611 178.3823 55 G 3.8175 7.6122 104.0956 47.6125 0.0000 175.5019 56 M 4.2542 8.0684 120.7147 58.5164 31.8019 178.4228 57 R 3.9542 7.9949 118.1489 59.3264 29.5965 179.1374 58 V 3.4619 7.3048 117.0119 66.1480 31.2113 177.9741 59 I 4.0805 7.7277 118.9469 64.3396 36.6550 176.9787 60 D 5.0049 7.8761 117.0567 54.1353 40.7262 176.2855 61 K 4.4163 7.3031 119.3037 57.9940 35.0463 177.2996 62 K 4.0759 9.1486 117.0770 56.4998 32.7198 177.1938 63 G 4.5380 7.4634 105.8531 47.1882 0.0000 173.8376 64 I 3.8616 7.7219 124.1115 63.2452 37.1738 177.6885 65 D 4.2541 7.8930 121.2486 56.0321 39.3807 178.8926 66 T 3.8463 7.5465 117.7370 66.6373 68.4705 176.7232 67 V 3.4965 7.2920 118.5070 66.1531 31.7585 177.5989 68 L 4.0503 8.3883 117.9438 58.2708 41.1815 178.7788 69 A 3.8697 7.8607 120.7734 55.2494 18.2359 179.1583 70 E 4.0194 7.8138 115.1814 56.6270 32.3238 176.1558 71 L 4.0557 8.3963 123.1630 55.9210 41.6756 176.0498 72 R 4.0028 7.1710 116.2562 57.4631 30.4818 177.9084 73 A 3.8952 7.6766 120.0927 54.5013 18.9272 178.7483 74 R 3.9291 7.7859 111.1276 57.8544 29.7774 177.5368 75 G 3.8928 7.5227 106.4882 45.4419 0.0000 173.1505 76 E 4.2700 8.2317 120.4197 54.4127 29.8201 175.6847 77 K 3.3854 7.8363 116.5084 56.9020 33.0486 175.8327 78 Y 4.0017 8.0209 125.5579 57.1884 39.5088 169.4037 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 2 S 8.33 4.15 0.00 3.86 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 3 R 7.25 3.35 0.00 2.02 2.32 0.00 3.22 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 4 V 7.35 4.47 2.10 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 0.74 0.00 0.00 0.95 0.00 0.00 5 C 8.35 4.01 0.00 3.05 3.01 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 6 Q 8.30 4.13 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 7 V 7.63 4.05 2.08 0.00 0.00 0.00 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 0.88 0.00 0.00 8 T 7.94 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 1.21 0.00 0.00 9 G 8.51 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 10 K 7.71 3.73 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.45 7.81 11 R 8.16 4.68 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 12 P 0.00 5.12 0.00 2.11 2.11 0.00 3.38 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 13 V 8.55 4.32 2.10 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 1.00 0.00 0.00 0.98 0.00 0.00 14 T 8.16 4.78 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 1.25 0.00 0.00 15 G 7.54 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 16 N 8.77 5.26 0.00 2.72 2.72 0.00 0.00 6.81 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 17 N 8.77 4.26 0.00 2.65 2.88 0.00 0.00 7.20 8.14 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 18 R 7.97 4.25 0.00 1.89 2.10 0.00 3.13 0.00 0.00 3.14 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 19 S 7.56 4.38 0.00 4.06 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 20 H 8.52 4.12 0.00 3.09 3.31 0.00 5.99 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 21 A 8.29 3.53 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 3.58 0.00 1.81 1.70 0.91 0.81 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 23 N 7.98 4.90 0.00 2.70 2.67 0.00 0.00 6.89 7.54 0.00 0.00 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 A 8.73 4.31 1.25 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 0.00 0.00 0.00 25 T 8.26 4.72 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 1.24 0.00 0.00 26 K 7.59 4.54 0.00 1.67 1.85 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.45 7.81 27 R 9.35 4.78 0.00 1.59 1.69 0.00 2.21 0.00 0.00 2.68 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 28 R 7.72 4.62 0.00 1.80 1.90 0.00 2.96 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 29 F 9.67 4.78 0.00 2.90 3.05 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 30 L 8.41 4.69 0.00 1.76 1.67 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.37 0.00 2.07 2.09 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 32 N 8.41 4.29 0.00 2.70 2.88 0.00 0.00 7.06 7.78 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 33 L 7.58 3.80 0.00 1.77 1.62 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.06 4.59 0.00 3.16 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.53 4.05 0.00 4.18 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 36 H 9.38 4.59 0.00 2.96 1.97 0.00 5.72 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.53 4.76 0.00 1.25 1.13 0.00 2.82 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.00 38 F 8.81 4.58 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 9.34 5.02 0.00 3.37 3.06 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 0.00 0.00 0.00 0.00 40 V 8.49 2.98 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 0.71 0.00 0.00 0.65 0.00 0.00 41 E 6.04 2.54 0.00 1.60 1.63 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 2.16 2.31 0.00 42 S 7.65 3.93 0.00 3.92 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 43 E 7.87 3.91 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 44 K 7.41 3.70 0.00 1.78 1.82 0.00 1.85 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 45 R 6.78 4.88 0.00 1.75 1.67 0.00 3.11 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 46 F 8.51 6.30 0.00 3.15 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 47 V 8.03 3.54 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 0.45 0.00 0.00 1.08 0.00 0.00 48 T 8.53 5.34 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 1.23 0.00 0.00 49 L 8.69 4.84 0.00 1.86 1.64 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.25 4.48 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 51 V 8.03 4.42 2.37 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 1.05 0.00 0.00 1.22 0.00 0.00 52 S 8.51 5.29 0.00 3.96 3.96 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 0.00 0.00 0.00 53 A 8.72 4.11 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 54 K 9.25 4.15 0.00 1.96 1.92 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 55 G 7.61 3.82 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 0.00 0.00 0.00 56 M 8.07 4.25 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.90 0.00 57 R 7.99 3.95 0.00 2.14 2.03 0.00 3.15 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 58 V 7.30 3.46 2.25 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 1.01 0.00 0.00 0.99 0.00 0.00 59 I 7.73 4.08 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.55 0.53 0.00 0.00 60 D 7.88 5.00 0.00 2.80 2.74 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 61 K 7.30 4.42 0.00 1.59 1.90 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.50 7.81 62 K 9.15 4.08 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.36 7.81 63 G 7.46 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.72 3.86 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.90 0.90 0.00 0.00 65 D 7.89 4.25 0.00 2.86 2.91 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 66 T 7.55 3.85 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 1.21 0.00 0.00 67 V 7.29 3.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.89 0.00 0.00 68 L 8.39 4.05 0.00 1.62 1.95 1.03 0.12 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 69 A 7.86 3.87 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 70 E 7.81 4.02 0.00 2.03 1.97 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 2.43 2.43 0.00 71 L 8.40 4.06 0.00 1.81 1.75 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.17 4.00 0.00 1.08 1.87 0.00 2.94 0.00 0.00 2.63 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 73 A 7.68 3.90 1.23 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 74 R 7.79 3.93 0.00 1.91 2.05 0.00 3.20 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 75 G 7.52 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 0.00 0.00 0.00 76 E 8.23 4.27 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 77 K 7.84 3.39 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.62 7.81 78 Y 8.02 4.00 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00