NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3361 8.1744 110.9433 61.3362 70.7479 173.2701 6 N 4.6318 7.9852 120.4414 53.5385 39.2083 173.4169 7 S 4.5038 8.1120 112.2452 57.3778 65.0100 172.8148 8 D 4.9394 8.4910 121.8001 54.5758 42.5172 174.3407 9 F 5.3168 7.9817 114.9526 55.7756 41.1843 173.6587 10 V 4.5679 8.9478 112.8349 59.5900 35.5129 174.7023 11 V 4.8926 8.8333 122.6603 61.3311 34.0627 174.5020 12 I 5.0877 8.8656 127.9027 59.3729 41.1217 174.0478 13 K 5.0073 8.9120 127.8829 54.2505 34.8445 175.0103 14 A 4.4359 8.6991 129.7973 52.1619 19.2908 177.4172 15 L 4.8311 9.0810 121.2071 54.4798 42.8238 175.7982 16 E 4.6393 7.6952 115.6552 54.9977 32.3420 174.2008 17 D 4.5827 8.4631 119.3971 54.6785 41.5103 176.2376 18 G 3.9439 7.9947 105.6534 46.4773 0.0000 174.3114 19 V 3.8692 7.5008 119.0284 62.8468 32.9399 174.4285 20 N 5.3114 9.1999 124.8145 51.5447 41.1452 173.6848 21 V 4.4779 8.7674 125.1471 61.3779 33.6188 174.2518 22 I 4.5859 8.3957 129.9456 59.3028 39.5788 175.2657 23 G 4.0824 8.8440 115.5515 45.7166 0.0000 172.7385 24 L 5.4699 9.1622 125.6008 53.2798 44.3597 176.0525 25 T 4.7523 8.5584 112.7300 61.4370 69.5623 174.5745 26 R 3.9013 8.6352 126.4621 57.6563 30.6627 175.2878 27 G 3.9122 8.8739 109.0602 44.2031 0.0000 173.7137 28 A 4.0624 8.7953 121.7930 54.5434 18.7620 177.6173 29 D 4.8810 7.8617 113.8457 53.2558 42.8484 176.5199 30 T 4.5622 8.2412 122.1804 61.3657 68.4401 172.7243 31 R 4.5995 8.7486 122.4839 53.6661 32.6195 175.8025 32 F 5.2281 8.4980 117.0395 57.5482 39.4024 175.4402 33 H 4.9943 8.5380 120.4347 56.0859 30.0779 174.0778 34 H 4.6754 7.4549 116.7701 55.2924 33.1758 172.0514 35 S 4.7505 8.1738 118.8193 56.3799 64.7961 172.2864 36 E 4.6317 9.1181 128.6454 54.3120 32.0615 174.5886 37 K 4.9575 8.6258 125.6414 54.8582 34.3017 175.2791 38 L 4.7916 8.6560 125.9812 53.5343 43.7669 176.4037 39 D 5.0982 9.1370 123.0884 52.1608 43.6452 175.9239 40 K 3.8372 9.0167 121.7745 58.6644 32.2643 176.7002 41 G 4.0623 8.9021 115.3590 45.2555 0.0000 173.5913 42 E 4.1801 8.2623 119.7520 56.4129 30.7721 176.1575 43 V 4.8427 8.3079 122.5043 61.0731 33.9768 174.1162 44 L 4.6599 9.3887 130.7057 53.4035 44.2416 174.8864 45 I 4.9103 8.4327 126.4621 59.6161 39.2299 174.6663 46 A 4.7089 8.6406 128.5273 50.1108 22.1200 175.1677 47 Q 4.8802 8.5388 120.2637 54.5850 30.7576 175.6843 48 F 4.6217 8.2518 120.6156 58.0049 39.1036 175.0713 49 T 4.7340 9.1806 112.1068 59.8444 72.0485 174.0979 50 E 4.1319 8.8825 121.5824 59.2697 29.5240 177.1278 51 H 4.6245 7.7927 114.7717 56.2141 29.7874 174.2911 52 T 5.6114 8.1391 116.4309 60.7372 71.2096 174.3130 53 S 5.0369 8.9860 119.2374 57.8009 64.5464 173.5947 54 A 4.9675 7.8110 120.7481 51.3843 22.3840 175.4342 55 I 5.0164 8.5682 120.8944 59.3300 40.9635 174.6699 56 K 4.5723 8.7457 127.3783 54.5481 34.7159 174.6087 57 V 4.7233 8.4131 126.8980 61.2609 33.3929 174.5886 58 R 4.5284 9.1548 127.2965 55.6091 32.6318 176.7191 59 G 4.0644 9.0173 108.9422 44.2978 0.0000 172.2496 60 K 4.9892 9.6030 120.3877 55.5386 33.0468 175.5855 61 A 4.9096 8.4367 126.1921 51.4377 23.7031 174.0105 62 Y 4.7700 9.2640 121.4192 56.2013 40.8049 174.4484 63 I 4.9095 8.3582 128.3902 59.5764 40.1000 174.7986 64 Q 5.0724 8.9894 125.6605 54.3658 32.0192 174.7920 65 T 4.7287 8.6066 112.1545 59.7045 72.5497 174.5009 66 R 3.7485 8.5794 120.8573 59.2255 29.8438 176.4057 67 H 4.7475 8.8818 112.6441 54.8656 29.1609 174.2819 68 G 3.9037 6.7059 107.2161 43.7993 0.0000 172.9516 69 V 4.7327 7.7298 112.2398 59.7965 34.6987 175.4221 70 I 4.5100 8.1830 121.6446 60.0102 41.9247 172.8788 71 E 5.2922 8.6753 127.4004 54.5172 31.6622 175.7554 72 S 4.4590 8.7740 120.0465 58.0568 64.8489 172.8178 73 E 4.8490 8.6439 122.7610 54.0922 31.1676 176.2935 74 G 3.8029 8.7821 112.5695 45.9850 0.0000 172.9115 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 5 T 8.17 4.34 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 1.22 0.00 0.00 6 N 7.99 4.63 0.00 2.81 2.86 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.11 4.50 0.00 4.08 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 8.49 4.94 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 5.32 0.00 2.97 2.96 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 10 V 8.95 4.57 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 0.77 0.00 0.00 0.85 0.00 0.00 11 V 8.83 4.89 2.23 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 1.01 0.00 0.00 1.15 0.00 0.00 12 I 8.87 5.09 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.91 0.00 0.00 13 K 8.91 5.01 0.00 1.93 1.81 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.70 4.44 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 15 L 9.08 4.83 0.00 1.58 1.70 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.64 0.00 2.02 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 2.36 2.33 0.00 17 D 8.46 4.58 0.00 2.69 2.64 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 18 G 7.99 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 19 V 7.50 3.87 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 0.91 0.00 0.00 1.00 0.00 0.00 20 N 9.20 5.31 0.00 2.58 2.59 0.00 0.00 6.40 7.28 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 21 V 8.77 4.48 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.40 4.59 1.42 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 -0.30 0.00 0.00 23 G 8.84 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.16 5.47 0.00 1.84 1.70 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.56 4.75 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 1.41 0.00 0.00 26 R 8.64 3.90 0.00 1.88 2.00 0.00 3.38 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 27 G 8.87 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 0.00 0.00 0.00 28 A 8.80 4.06 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 7.86 4.88 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.56 4.27 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 1.27 0.00 0.00 31 R 8.75 4.60 0.00 1.92 2.04 0.00 2.78 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 F 8.50 5.23 0.00 3.00 2.92 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 33 H 8.54 4.99 0.00 3.16 3.50 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 7.45 4.68 0.00 3.26 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.17 4.75 0.00 3.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.63 0.00 2.16 1.74 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 2.21 2.30 0.00 37 K 8.63 4.96 0.00 1.62 1.70 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.38 7.81 38 L 8.66 4.79 0.00 1.60 1.56 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.14 5.10 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 40 K 9.02 3.84 0.00 1.56 1.83 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 8.90 4.06 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 0.00 0.00 0.00 42 E 8.26 4.18 0.00 2.16 1.88 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 2.33 2.26 0.00 43 V 8.31 4.84 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 0.80 0.00 0.00 0.97 0.00 0.00 44 L 9.39 4.66 0.00 1.75 1.48 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.43 4.91 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.66 0.00 0.00 46 A 8.64 4.71 1.12 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 0.00 0.00 47 Q 8.54 4.88 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 48 F 8.25 4.62 0.00 3.08 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 49 T 9.18 4.73 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 1.30 0.00 0.00 50 E 8.88 4.13 0.00 1.90 1.94 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 2.05 2.27 0.00 51 H 7.79 4.62 0.00 3.40 3.14 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 8.14 5.61 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 1.32 0.00 0.00 53 S 8.99 5.04 0.00 3.83 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 54 A 7.81 4.97 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 55 I 8.57 5.02 1.86 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.90 0.00 0.00 56 K 8.75 4.57 0.00 1.82 1.51 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.41 4.72 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 0.91 0.00 0.00 0.90 0.00 0.00 58 R 9.15 4.53 0.00 1.74 1.79 0.00 3.16 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 59 G 9.02 4.06 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 0.00 0.00 0.00 60 K 9.60 4.99 0.00 1.90 1.71 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.44 4.91 1.26 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 0.00 0.00 0.00 62 Y 9.26 4.77 0.00 3.01 2.88 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 63 I 8.36 4.91 1.85 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 1.17 0.75 0.82 0.00 0.00 64 Q 8.99 5.07 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 65 T 8.61 4.73 4.15 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 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.58 3.75 0.00 1.58 1.73 0.00 3.11 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 67 H 8.88 4.75 0.00 3.18 3.24 0.00 5.70 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 6.71 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.73 4.73 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 0.70 0.00 0.00 0.99 0.00 0.00 70 I 8.18 4.51 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.40 0.85 0.00 0.00 71 E 8.68 5.29 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 2.58 2.48 0.00 72 S 8.77 4.46 0.00 3.97 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 73 E 8.64 4.85 0.00 1.87 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 2.30 0.00 74 G 8.78 3.80 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 0.00 0.00 0.00