NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4671 8.0433 122.7591 54.8664 44.1331 174.9624 2 K 4.9814 9.9943 126.8477 54.5502 34.3324 173.3042 3 C 5.3504 10.2755 123.6797 54.8833 44.4015 173.4228 4 N 5.0649 9.5011 120.4903 53.6252 39.1285 174.8526 5 K 4.3462 8.3168 121.1865 54.7182 34.2386 176.4632 6 L 3.8751 8.6912 122.2127 58.3137 41.8382 177.2514 7 I 4.2244 7.4795 122.4996 59.1312 37.0925 174.8096 8 P 4.5936 0.0000 0.0000 64.1741 31.2592 177.8279 9 I 3.8206 7.7893 111.1222 62.4361 37.9977 175.4636 10 A 5.0191 7.6801 123.0769 50.5306 21.9468 174.8275 11 Y 5.3701 7.7412 116.1490 55.7110 41.2496 174.0643 12 K 4.7929 9.7829 120.2328 55.3465 36.4077 175.3788 13 T 4.8602 8.5734 111.6528 61.4645 70.2925 174.5649 14 C 5.0253 8.9085 121.5191 54.7825 42.4979 172.6347 15 P 4.4545 0.0000 0.0000 62.5719 32.1998 174.9091 16 E 4.4255 8.4629 117.3639 56.7285 30.8924 176.8017 17 G 4.0397 9.0681 110.8632 45.1823 0.0000 173.1241 18 K 4.7101 7.4427 118.5973 55.0508 31.4253 175.4417 19 N 4.7885 8.0411 114.2516 53.0149 39.6660 174.8854 20 L 4.9792 8.0219 118.8112 54.2935 44.6907 175.0216 21 C 5.4976 9.0635 117.7803 56.4610 37.8872 172.2940 22 Y 5.4221 8.0233 116.9374 56.1011 41.6106 173.1526 23 K 4.6545 8.9840 122.3447 54.7795 35.5208 174.2816 24 M 4.5219 9.1005 127.5873 54.2113 34.2521 174.1252 25 M 5.2815 8.3571 125.8267 53.2165 36.1477 174.8126 26 L 4.7253 8.6314 124.3919 54.6262 42.9361 177.4683 27 A 4.0318 9.0383 128.6192 54.1952 19.0686 177.6680 28 S 4.1236 8.2210 111.6496 59.5299 61.4654 174.0720 29 K 3.9744 8.4984 126.9600 57.9803 32.3981 177.1813 30 K 4.0509 7.9590 116.9265 55.2923 32.8419 172.7608 31 M 3.3235 8.7517 121.9178 55.3487 29.1132 175.9646 32 V 4.4977 7.9989 122.9716 59.1052 34.9730 173.1811 33 P 4.7758 0.0000 0.0000 62.7174 31.3465 176.2409 34 V 4.4078 9.0935 122.9672 62.7331 33.5594 175.2874 35 K 4.7036 7.7731 117.3470 56.0971 36.6071 174.7852 36 R 4.3727 7.7782 120.7231 55.0378 33.9465 175.2865 37 G 4.0665 6.8797 109.3962 47.0480 0.0000 171.1940 38 C 5.4849 9.1252 119.8873 55.7428 42.4069 173.1872 39 I 4.0300 8.4455 120.1794 60.4155 41.1749 173.4391 40 N 5.0867 8.9436 123.4224 53.8819 39.4398 174.8760 41 V 4.4031 7.0872 112.4677 59.2034 35.4033 175.9918 42 C 4.3775 8.4461 122.0265 55.1302 43.7329 171.7378 43 P 4.1882 0.0000 0.0000 61.7856 31.4644 176.3037 44 K 4.1163 8.1622 123.8066 56.0624 32.8579 176.1394 45 N 4.8013 8.6521 123.4448 53.3214 39.0069 175.1652 46 S 4.5764 9.1335 118.1661 56.5557 64.1870 174.7528 47 A 4.0769 8.6181 124.8289 54.9387 18.1936 178.7004 48 L 4.4047 7.8778 114.1021 55.0030 42.9548 176.2061 49 V 4.7696 7.3995 118.9024 59.8702 33.9607 175.3325 50 K 4.9253 8.6039 124.9522 55.1440 34.9701 175.1373 51 Y 5.8429 8.6315 118.1241 56.0216 42.2658 174.9959 52 V 4.5992 8.6814 122.1195 60.1764 34.4744 175.0564 53 C 5.7204 8.9748 121.5356 55.5832 42.8422 171.5585 54 C 5.0079 8.7780 115.1300 54.3269 45.5633 174.1299 55 S 4.8484 8.3785 110.2553 58.3517 63.6434 173.4606 56 T 4.5669 7.7878 116.9866 62.0348 70.3976 173.6090 57 D 4.7281 8.7925 124.1031 56.5381 41.2320 177.1505 58 R 3.8037 8.7947 123.4681 57.2752 28.3091 175.0585 59 C 4.4547 8.0250 112.2695 56.9938 42.6185 173.2953 60 N 4.4995 8.0104 122.1890 52.9682 37.2280 174.7290 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 L 8.04 4.47 0.00 1.77 1.64 0.98 0.35 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 2 K 9.99 4.98 0.00 1.67 1.64 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.38 1.70 7.81 3 C 10.28 5.35 0.00 2.82 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 4 N 9.50 5.06 0.00 2.88 2.75 0.00 0.00 6.92 7.41 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 5 K 8.32 4.35 0.00 1.62 1.74 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 6 L 8.69 3.88 0.00 1.55 1.70 0.89 0.96 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 7 I 7.48 4.22 1.86 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 0.98 0.91 0.00 0.00 8 P 0.00 4.59 0.00 2.04 2.24 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 9 I 7.79 3.82 1.89 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 1.35 0.40 0.92 0.00 0.00 10 A 7.68 5.02 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 11 Y 7.74 5.37 0.00 3.01 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 12 K 9.78 4.79 0.00 1.67 1.86 0.00 1.33 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.52 7.81 13 T 8.57 4.86 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 1.32 0.00 0.00 14 C 8.91 5.03 0.00 2.93 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 15 P 0.00 4.45 0.00 2.19 2.12 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 16 E 8.46 4.43 0.00 1.98 1.91 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 2.26 2.30 0.00 17 G 9.07 4.04 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 0.00 0.00 0.00 18 K 7.44 4.71 0.00 1.92 1.79 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.38 7.81 19 N 8.04 4.79 0.00 2.69 2.85 0.00 0.00 6.99 7.85 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 20 L 8.02 4.98 0.00 1.84 1.73 0.93 0.94 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 21 C 9.06 5.50 0.00 3.04 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 22 Y 8.02 5.42 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.98 4.65 0.00 1.81 1.68 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.29 7.81 24 M 9.10 4.52 0.00 2.22 2.05 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 1.60 2.21 0.00 25 M 8.36 5.28 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 26 L 8.63 4.73 0.00 1.80 1.50 0.91 1.36 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 27 A 9.04 4.03 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 28 S 8.22 4.12 0.00 3.86 3.87 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 0.00 0.00 0.00 29 K 8.50 3.97 0.00 1.98 1.98 0.00 1.44 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.46 7.81 30 K 7.96 4.05 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.43 7.81 31 M 8.75 3.32 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 32 V 8.00 4.50 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 0.73 0.00 0.00 0.91 0.00 0.00 33 P 0.00 4.78 0.00 1.92 1.98 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 34 V 9.09 4.41 2.04 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 0.77 0.00 0.00 0.91 0.00 0.00 35 K 7.77 4.70 0.00 1.81 1.79 0.00 1.97 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.53 7.81 36 R 7.78 4.37 0.00 1.58 1.79 0.00 3.20 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 37 G 6.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.13 5.48 0.00 2.92 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 39 I 8.45 4.03 1.68 0.00 0.00 0.36 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 0.95 0.90 0.00 0.00 40 N 8.94 5.09 0.00 2.67 2.63 0.00 0.00 7.14 7.71 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 41 V 7.09 4.40 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 0.73 0.00 0.00 0.83 0.00 0.00 42 C 8.45 4.38 0.00 2.92 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 43 P 0.00 4.19 0.00 0.49 1.29 0.00 3.32 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.53 0.00 44 K 8.16 4.12 0.00 1.66 1.68 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 45 N 8.65 4.80 0.00 2.81 2.81 0.00 0.00 6.89 7.57 0.00 0.00 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 S 9.13 4.58 0.00 3.84 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 47 A 8.62 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 48 L 7.88 4.40 0.00 1.76 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.40 4.77 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 0.83 0.00 0.00 0.72 0.00 0.00 50 K 8.60 4.93 0.00 1.68 1.89 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.54 7.81 51 Y 8.63 5.84 0.00 2.90 2.87 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 0.00 0.00 0.00 52 V 8.68 4.60 2.13 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 0.82 0.00 0.00 0.97 0.00 0.00 53 C 8.97 5.72 0.00 2.89 3.13 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 54 C 8.78 5.01 0.00 3.00 3.18 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 0.00 0.00 0.00 0.00 55 S 8.38 4.85 0.00 3.94 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 56 T 7.79 4.57 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 1.19 0.00 0.00 57 D 8.79 4.73 0.00 2.59 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 58 R 8.79 3.80 0.00 1.78 2.09 0.00 2.44 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.00 59 C 8.02 4.45 0.00 3.12 3.27 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 60 N 8.01 4.50 0.00 2.79 2.82 0.00 0.00 5.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00