NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4848 0.0000 0.0000 62.3548 33.6555 174.6115 2 F 5.2231 8.8685 125.2005 56.3780 41.1396 172.8563 3 I 4.1952 9.1009 128.6172 59.4506 39.6204 173.7970 4 E 4.7242 8.2827 128.0165 54.3674 31.7227 174.4865 5 C 4.7284 8.9982 124.7989 58.2949 31.1330 172.5408 6 H 5.4807 8.8670 121.8611 54.2719 29.6981 174.2368 7 I 4.8528 8.8218 116.5136 58.5622 41.4543 174.7573 8 A 4.7904 8.5631 124.4943 51.8638 19.0163 177.4884 9 T 4.0692 8.0237 110.4394 62.1361 69.1545 173.1089 10 G 3.5997 8.9089 113.0256 45.8770 0.0000 174.9629 11 L 4.1530 7.6220 120.2647 54.1548 42.3920 177.5654 12 S 4.3909 8.3613 117.3755 57.7943 65.1180 175.5040 13 V 3.5304 8.3455 121.3877 66.4106 31.1715 177.9910 14 A 3.9934 7.9666 119.7276 55.2856 18.1583 179.6883 15 R 3.9231 8.0446 116.6265 59.1233 30.1012 179.4338 16 K 3.9753 8.3395 118.7283 59.4828 32.0113 179.3570 17 Q 3.9990 8.3943 118.7180 59.0409 28.5608 178.7810 18 Q 3.9281 8.2591 120.5848 58.8900 29.0183 177.7567 19 L 3.9271 8.1494 121.6574 58.3067 42.0461 179.0431 20 I 3.6844 7.8349 119.4614 64.5858 37.0697 178.4993 21 R 3.9240 8.1252 118.8425 59.5719 29.7900 178.9312 22 D 4.3472 8.4247 118.9581 57.1830 40.7960 178.9534 23 V 3.5606 8.1565 119.2059 65.9422 31.4854 177.9954 24 I 3.6634 7.9010 119.6446 64.4780 36.9305 177.8106 25 D 4.2867 8.1805 118.6220 57.5272 41.2145 178.4838 26 V 3.5793 8.0637 118.9196 66.1898 31.4151 178.2195 27 T 3.8762 7.9455 115.6282 66.5344 68.3703 176.1604 28 N 4.5036 8.1907 120.3938 56.2147 38.7701 176.9232 29 K 4.1459 8.2365 118.4004 58.3352 32.2180 178.5806 30 S 4.6049 7.6783 113.3617 58.9538 64.0209 174.7819 31 I 4.3565 7.8125 111.8991 59.7046 38.1829 176.2993 32 G 3.9598 8.3606 109.5710 45.4855 0.0000 174.3895 33 S 4.1897 7.6973 116.4919 58.1258 63.6036 173.2012 34 D 4.6078 8.6169 124.1955 53.6280 41.8142 175.0598 35 P 4.2487 0.0000 0.0000 65.8555 31.4468 178.2027 36 K 4.1880 8.3854 115.8623 58.0772 31.9004 177.3152 37 I 4.5083 7.9534 111.4068 60.2220 38.0653 174.7479 38 I 4.5790 7.6789 122.1188 60.4603 38.4107 174.8716 39 N 5.1928 9.2508 124.1765 51.4388 41.7639 173.7363 40 V 4.9960 8.5021 121.8472 61.0467 35.0528 174.1676 41 L 4.8084 8.9328 128.7959 53.3676 44.9975 174.7366 42 L 4.9897 8.6287 126.3617 53.3540 43.3563 176.0800 43 V 4.3704 9.0019 123.6878 61.0835 34.4027 173.7910 44 E 5.1272 8.7290 126.9710 55.1560 31.4087 175.0432 45 H 5.0883 8.9793 119.6802 53.4555 33.6008 173.1239 46 A 4.2379 8.5775 123.7876 52.1164 19.2124 178.5459 47 E 3.8329 8.9652 120.9796 59.5483 29.6400 179.5670 48 A 4.0907 7.8643 119.6370 54.4384 18.5305 177.4496 49 N 4.7797 7.9495 111.6932 53.2634 39.0023 174.7866 50 M 4.7348 7.8790 118.3209 53.3085 35.0756 174.9492 51 S 4.6543 8.5532 116.5701 56.4598 65.4406 172.7944 52 I 4.3963 8.2367 127.9728 60.7694 38.9310 175.8320 53 S 3.7527 9.5568 119.9906 59.7828 60.1811 173.2788 54 G 3.9169 8.4454 105.2823 45.8650 0.0000 174.5760 55 R 4.1028 7.7261 118.6777 55.6295 30.8119 176.0430 56 I 4.3050 8.0995 123.0292 59.3839 38.4043 174.7085 57 H 4.1000 8.8359 125.4242 57.9898 29.8785 175.3473 58 G 3.7305 8.6369 113.5632 45.0187 0.0000 171.4340 59 E 4.0567 8.0919 122.0421 55.2915 29.9891 174.5144 60 A 4.0903 8.0005 124.6330 53.1449 20.6269 176.1478 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 P 0.00 4.48 0.00 2.12 2.06 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 2 F 8.87 5.22 0.00 2.95 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 3 I 9.10 4.20 1.81 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 1.06 0.47 0.82 0.00 0.00 4 E 8.28 4.72 0.00 1.24 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 5 C 9.00 4.73 0.00 2.79 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 6 H 8.87 5.48 0.00 3.04 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.82 4.85 1.88 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 1.15 0.88 0.91 0.00 0.00 8 A 8.56 4.79 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 9 T 8.02 4.07 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 1.24 0.00 0.00 10 G 8.91 3.60 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 0.00 0.00 0.00 11 L 7.62 4.15 0.00 1.64 1.61 0.92 0.87 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 12 S 8.36 4.39 0.00 4.04 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 13 V 8.35 3.53 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 1.13 0.00 0.00 0.93 0.00 0.00 14 A 7.97 3.99 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 15 R 8.04 3.92 0.00 1.99 1.98 0.00 3.29 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 16 K 8.34 3.98 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 17 Q 8.39 4.00 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 18 Q 8.26 3.93 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 19 L 8.15 3.93 0.00 1.85 1.83 0.91 1.29 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 20 I 7.83 3.68 2.01 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 1.53 0.53 0.92 0.00 0.00 21 R 8.13 3.92 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 22 D 8.42 4.35 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.56 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 0.98 0.00 0.00 24 I 7.90 3.66 2.04 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 1.42 0.51 0.92 0.00 0.00 25 D 8.18 4.29 0.00 2.81 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 26 V 8.06 3.58 2.19 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 0.97 0.00 0.00 0.96 0.00 0.00 27 T 7.95 3.88 4.38 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 1.22 0.00 0.00 28 N 8.19 4.50 0.00 2.84 2.97 0.00 0.00 6.78 5.95 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 29 K 8.24 4.15 0.00 1.76 1.85 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.58 7.81 30 S 7.68 4.60 0.00 4.04 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 31 I 7.81 4.36 1.87 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 1.44 0.74 0.91 0.00 0.00 32 G 8.36 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 0.00 0.00 0.00 33 S 7.70 4.19 0.00 3.91 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 34 D 8.62 4.61 0.00 2.71 2.55 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 35 P 0.00 4.25 0.00 2.22 2.11 0.00 3.66 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 2.12 2.14 0.00 36 K 8.39 4.19 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.57 7.81 37 I 7.95 4.51 1.88 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 1.30 0.87 0.91 0.00 0.00 38 I 7.68 4.58 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 1.25 0.80 0.94 0.00 0.00 39 N 9.25 5.19 0.00 2.79 2.75 0.00 0.00 6.03 8.48 0.00 0.00 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 8.50 5.00 2.11 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 0.77 0.00 0.00 0.96 0.00 0.00 41 L 8.93 4.81 0.00 2.07 1.56 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.63 4.99 0.00 1.55 1.56 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.00 4.37 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 1.04 0.00 0.00 0.96 0.00 0.00 44 E 8.73 5.13 0.00 1.83 1.81 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 2.20 2.28 0.00 45 H 8.98 5.09 0.00 3.03 3.13 0.00 5.62 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 46 A 8.58 4.24 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 47 E 8.97 3.83 0.00 1.76 1.55 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 2.35 2.21 0.00 48 A 7.86 4.09 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 49 N 7.95 4.78 0.00 2.90 2.84 0.00 0.00 6.75 7.23 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 50 M 7.88 4.73 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.35 0.00 51 S 8.55 4.65 0.00 3.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.40 1.87 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 1.41 1.35 0.91 0.00 0.00 53 S 9.56 3.75 0.00 4.00 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 54 G 8.45 3.92 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 0.00 0.00 0.00 55 R 7.73 4.10 0.00 2.02 1.88 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 56 I 8.10 4.31 2.07 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 1.43 0.97 0.92 0.00 0.00 57 H 8.84 4.10 0.00 3.10 3.25 0.00 5.78 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 58 G 8.64 3.73 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 0.00 0.00 0.00 59 E 8.09 4.06 0.00 2.11 2.11 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 2.19 2.36 0.00 60 A 8.00 4.09 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