NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2522 8.1685 119.9972 57.0235 34.9436 177.8199 2 A 3.7756 7.9806 121.5608 54.2634 18.3490 175.8590 3 E 3.8820 8.4528 116.9432 59.8921 29.9399 178.0843 4 R 3.8734 7.8961 117.7941 59.2866 30.1855 178.2929 5 K 3.9404 7.8623 119.6706 59.4262 32.0826 178.7108 6 R 3.9016 8.2945 119.3183 59.6466 29.7754 178.5401 7 M 4.0508 7.9709 118.4693 58.4562 32.1761 178.8282 8 R 3.9239 8.1202 118.2768 59.3875 30.1903 178.6825 9 N 4.3689 8.6276 117.1891 56.4146 39.0302 176.9482 10 R 3.9574 7.7611 120.2843 59.4114 30.1440 178.6095 11 I 3.7985 7.6448 119.6636 64.0127 37.0254 178.2800 12 A 3.9649 7.9091 121.2810 55.0742 18.2670 179.3741 13 A 3.9281 8.4094 119.7584 55.5885 18.4176 180.0633 14 S 4.0801 7.9119 113.1225 61.5629 62.9066 176.8918 15 K 3.9486 8.1851 122.3703 59.3297 32.0629 178.7392 16 S 4.0695 8.2891 113.6320 61.6032 62.3538 176.3145 17 R 3.9241 8.0370 120.6028 59.1235 29.7714 178.9861 18 K 3.9189 8.1124 119.5507 59.4551 32.3189 178.7145 19 R 4.4341 8.0224 116.3484 57.2540 29.6595 178.7549 20 K 3.9799 7.9351 120.0227 59.6029 32.0917 179.1234 21 L 4.0348 7.9246 119.3032 57.8353 41.0718 179.4342 22 E 3.9988 8.6627 119.0532 59.1311 29.3087 179.4565 23 R 3.8888 7.9657 118.8945 59.5312 30.2402 178.5538 24 I 3.6847 7.8270 119.3839 64.3796 37.0905 178.2875 25 A 4.0110 8.1505 121.5100 55.2125 18.2322 179.9314 26 R 3.8845 8.0022 116.5903 59.3401 30.2704 179.1830 27 L 4.0032 8.0415 118.7829 58.0517 41.6641 179.5361 28 E 4.0717 8.3254 118.3124 59.1131 29.3874 179.1467 29 E 3.9797 8.3212 118.9244 59.1923 29.4308 179.2270 30 K 3.9220 8.1302 119.6921 59.3949 32.1723 179.0573 31 V 3.5421 7.6673 118.0840 65.7840 31.3487 177.6303 32 K 3.8419 8.0598 119.6377 60.0273 31.9916 178.7729 33 T 3.9453 8.0759 109.8114 64.7013 68.7274 176.6694 34 L 4.0049 8.3392 122.2530 57.3844 41.6115 179.4221 35 K 3.8915 8.3839 118.5847 59.6145 32.0050 179.1732 36 A 4.0593 7.7170 120.8850 54.8644 18.2375 179.5111 37 Q 3.9258 8.1150 118.3957 59.1168 29.0596 177.8780 38 N 4.2934 8.4651 117.9475 56.5770 38.6310 177.2297 39 S 4.1208 8.0942 116.3585 61.7669 62.9568 176.6137 40 E 3.9134 8.0679 121.6313 59.4333 29.4271 178.9459 41 L 4.0670 8.3296 119.0070 57.3640 41.6585 179.2925 42 A 4.0557 8.4372 121.7443 54.7991 18.3953 179.7879 43 S 4.0803 8.2462 112.9398 61.8333 63.0723 176.8233 44 T 3.7946 7.9889 119.2412 66.2367 68.2761 176.0777 45 A 3.9890 8.0519 122.5887 55.4798 17.8541 179.2718 46 N 4.2604 8.1703 114.5764 57.0228 38.5587 177.6167 47 M 4.1194 8.4485 120.0305 58.1699 32.0226 178.7136 48 L 4.0899 7.9100 119.2492 57.2349 41.8872 179.2529 49 R 3.9339 8.0404 118.2314 59.5662 29.7804 178.9461 50 E 4.1227 7.9541 117.3259 59.2795 29.3368 179.4076 51 Q 4.0638 7.8986 118.5119 58.5864 28.6800 178.9224 52 V 3.5830 7.6642 119.0527 65.8683 31.4831 177.4699 53 A 4.3794 8.3146 116.4152 53.0494 18.0642 177.6340 54 Q 4.4753 7.4400 116.4050 56.5267 31.2828 177.0098 55 L 4.1477 8.2449 116.9246 56.7323 42.2287 177.4389 56 K 4.3083 7.8889 119.9636 55.7139 31.2633 177.7856 57 Q 4.3407 7.3375 118.4961 54.7865 31.8106 174.1077 58 K 4.0194 8.5285 125.4903 57.2279 32.1365 174.3394 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 K 8.17 4.25 0.00 1.95 2.13 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 2 A 7.98 3.78 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.45 3.88 0.00 2.06 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 0.00 2.41 2.45 0.00 4 R 7.90 3.87 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 5 K 7.86 3.94 0.00 1.81 1.93 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 6 R 8.29 3.90 0.00 2.11 2.08 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 7 M 7.97 4.05 0.00 2.13 2.24 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 2.62 2.57 0.00 8 R 8.12 3.92 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 9 N 8.63 4.37 0.00 2.88 2.94 0.00 0.00 6.82 7.24 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 10 R 7.76 3.96 0.00 1.88 2.11 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 I 7.64 3.80 2.03 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 1.45 0.89 0.91 0.00 0.00 12 A 7.91 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.93 1.38 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 0.00 0.00 0.00 14 S 7.91 4.08 0.00 4.09 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 15 K 8.19 3.95 0.00 1.92 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 16 S 8.29 4.07 0.00 4.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.04 3.92 0.00 1.90 1.97 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 18 K 8.11 3.92 0.00 1.80 2.00 0.00 1.64 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.59 7.81 19 R 8.02 4.43 0.00 2.09 2.34 0.00 3.10 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.52 0.00 20 K 7.94 3.98 0.00 2.07 1.89 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.59 7.81 21 L 7.92 4.03 0.00 1.90 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.66 4.00 0.00 1.97 2.00 0.00 0.00 0.00 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 2.31 0.00 23 R 7.97 3.89 0.00 2.04 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 24 I 7.83 3.68 2.01 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 1.45 0.79 0.91 0.00 0.00 25 A 8.15 4.01 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 26 R 8.00 3.88 0.00 2.02 1.99 0.00 3.14 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 1.65 1.86 0.00 27 L 8.04 4.00 0.00 1.85 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.33 4.07 0.00 2.03 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 0.00 2.32 2.45 0.00 29 E 8.32 3.98 0.00 2.25 2.00 0.00 0.00 0.00 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 2.46 0.00 30 K 8.13 3.92 0.00 2.02 1.90 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 31 V 7.67 3.54 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 1.02 0.00 0.00 0.96 0.00 0.00 32 K 8.06 3.84 0.00 2.02 1.97 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 33 T 8.08 3.95 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 1.31 0.00 0.00 34 L 8.34 4.00 0.00 1.69 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.38 3.89 0.00 2.06 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 36 A 7.72 4.06 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 37 Q 8.12 3.93 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 38 N 8.47 4.29 0.00 3.09 2.85 0.00 0.00 7.00 7.48 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 39 S 8.09 4.12 0.00 4.06 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 40 E 8.07 3.91 0.00 2.15 2.14 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 0.00 2.30 2.35 0.00 41 L 8.33 4.07 0.00 1.71 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.44 4.06 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 43 S 8.25 4.08 0.00 4.06 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 44 T 7.99 3.79 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 1.21 0.00 0.00 45 A 8.05 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.26 0.00 3.12 2.89 0.00 0.00 7.09 7.01 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 47 M 8.45 4.12 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 48 L 7.91 4.09 0.00 1.87 1.70 0.92 0.88 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 49 R 8.04 3.93 0.00 2.00 1.99 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 50 E 7.95 4.12 0.00 2.13 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 0.00 2.46 2.49 0.00 51 Q 7.90 4.06 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 52 V 7.66 3.58 2.22 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 1.01 0.00 0.00 0.93 0.00 0.00 53 A 8.31 4.38 1.33 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 0.00 0.00 0.00 54 Q 7.44 4.48 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 55 L 8.24 4.15 0.00 1.69 1.73 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.89 4.31 0.00 1.89 1.80 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.45 7.81 57 Q 7.34 4.34 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 58 K 8.53 4.02 0.00 1.67 1.58 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.40 7.81