NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4680 8.3349 116.7968 58.1656 63.0693 173.6955 2 R 4.0545 8.2296 126.8561 55.4108 27.4643 169.0636 3 V 4.6619 7.7113 117.7996 60.4518 35.3442 174.2759 4 C 4.3654 8.9274 128.6864 59.5586 31.4756 174.2676 5 Q 4.2354 8.7279 127.2263 57.7555 28.6158 177.5215 6 V 4.0899 7.8063 116.6648 62.5466 32.6571 176.6805 7 T 4.3008 7.8462 106.9508 60.4246 69.3149 175.0739 8 G 3.8121 8.2626 110.1983 45.6258 0.0000 173.8772 9 K 3.9312 7.6808 119.0994 56.7960 31.5092 176.4987 10 R 5.2312 7.9889 119.4053 52.4393 32.0481 174.0384 11 P 4.5911 0.0000 0.0000 62.6125 32.0604 175.9303 12 V 4.7739 8.8579 113.9653 59.8643 35.9358 174.3327 13 T 5.1996 8.3583 111.2293 60.6733 71.2646 173.6473 14 G 4.3503 8.5838 108.8807 46.4329 0.0000 171.1060 15 N 5.0927 8.5313 117.1372 51.7801 40.5771 174.2507 16 N 4.4899 8.8461 114.3515 54.2765 40.3866 173.1177 17 R 3.6739 7.4857 121.4534 56.0576 28.6332 175.9962 18 S 4.6689 8.1198 118.7011 57.3115 65.5491 174.3794 19 H 4.1168 8.8059 115.9463 59.2339 28.4511 176.5491 20 A 4.1401 7.9695 119.5817 52.4558 18.4223 176.6623 21 L 3.6380 7.7098 114.8070 55.7174 38.9977 174.7111 22 N 4.7718 8.2643 116.8388 51.9802 39.6322 175.4161 23 A 4.2568 8.5771 126.5788 52.6451 19.2917 177.0595 24 T 4.4121 8.4483 118.4761 61.9934 72.6065 173.4169 25 K 4.1555 8.9151 126.6441 57.4971 32.9006 176.4329 26 R 4.7250 9.4907 121.0769 54.7606 33.3837 173.7860 27 R 5.1869 8.3668 116.0121 54.8929 33.7058 175.2751 28 F 5.0027 9.2970 120.8598 56.0196 41.5240 175.0921 29 L 4.9397 8.2498 120.4089 53.5818 43.2517 174.0065 30 P 4.4801 0.0000 0.0000 62.7427 32.3047 176.7570 31 N 4.7038 8.3326 120.2215 52.9558 37.2524 174.0909 32 L 4.7852 7.7333 122.5161 54.8197 43.0889 175.3876 33 H 4.8892 9.1954 114.7290 55.2122 37.1791 173.0878 34 S 4.1990 8.5032 113.8333 57.7093 63.3292 170.8873 35 H 4.5966 8.0339 122.6003 54.2060 33.5073 172.3876 36 R 4.2343 7.9412 124.3026 55.6754 30.0077 175.7693 37 F 4.9693 8.6027 123.4417 56.2378 40.9716 174.9448 38 W 5.4435 9.2381 132.4076 56.6731 31.4612 175.9640 39 V 3.8648 6.8011 118.5713 61.0488 32.8723 177.3680 40 E 3.8017 6.3695 123.6695 57.3798 29.4773 175.8282 41 S 4.1435 7.6018 110.7024 60.4591 62.5223 174.1329 42 E 4.4402 7.2873 114.7449 55.3823 32.7782 175.2579 43 K 3.2392 7.4539 116.9453 55.8284 29.0495 173.0650 44 R 4.3396 5.8400 117.4093 55.7476 34.2337 174.2471 45 F 5.7133 8.7655 121.8098 55.6395 39.9188 175.8634 46 V 4.0641 8.5497 118.6533 60.9704 32.8214 175.5968 47 T 4.9799 8.4722 121.7584 59.5261 66.6689 173.8156 48 L 4.3527 8.3958 126.7012 54.2621 44.0017 175.9668 49 R 4.7394 8.6085 121.6789 55.2957 30.8560 174.7583 50 V 4.9440 8.2328 126.2825 60.6530 35.2940 174.4785 51 S 4.9342 8.6945 121.7341 57.7696 64.3466 173.2532 52 A 4.1345 8.2558 125.4972 54.2291 18.5065 176.4659 53 K 4.4715 9.6630 128.7475 56.8389 31.1314 178.3834 54 G 4.0213 8.2014 104.3456 48.4704 0.0000 174.8137 55 M 4.1209 8.1871 121.2200 58.4497 32.1348 178.9045 56 R 3.9836 8.1714 117.2399 59.5061 30.1855 179.2202 57 V 3.6419 8.5006 118.7211 66.0377 31.5591 177.9954 58 I 3.5474 7.7082 119.5285 64.6225 36.7673 178.0404 59 D 4.4270 8.3354 118.1100 56.1431 40.5857 177.0928 60 K 4.3580 7.0934 116.0772 58.1831 33.8431 177.9149 61 K 4.0864 8.4632 118.2151 56.5588 32.4686 178.2776 62 G 3.8831 8.0914 107.5298 45.9173 0.0000 174.2065 63 I 3.4681 8.4360 124.4461 64.6689 37.2793 178.3140 64 D 3.9325 8.0203 118.6153 57.0086 40.5826 178.3251 65 T 4.1768 8.0188 116.5184 65.4808 68.7172 177.2985 66 V 3.5066 7.3502 119.1143 65.8101 31.9234 177.6467 67 L 3.6378 8.5687 118.5694 56.4027 41.4596 179.1646 68 A 4.0315 7.2286 120.3211 55.0792 18.3696 177.7348 69 E 4.4450 7.6948 114.8696 57.4448 32.0348 174.4425 70 L 3.8324 8.5819 119.7573 56.1429 40.2896 176.7721 71 R 3.9585 8.0439 115.7139 60.0992 30.0627 178.8879 72 A 3.8356 7.7288 117.4608 53.8635 18.4836 178.3152 73 R 4.3731 7.1557 115.1244 55.7366 30.9670 176.3585 74 G 4.1102 8.6290 106.0952 46.0901 0.0000 174.3039 75 E 4.1363 7.9436 118.2421 56.0458 29.3541 175.9733 76 K 3.9413 8.0265 120.0473 55.0224 33.3812 176.6513 77 Y 4.0965 7.9805 123.4403 56.5832 39.3492 170.9820 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 S 8.33 4.47 0.00 3.89 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 2 R 8.23 4.05 0.00 1.96 1.90 0.00 3.07 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 3 V 7.71 4.66 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 0.81 0.00 0.00 0.95 0.00 0.00 4 C 8.93 4.37 0.00 3.02 2.83 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 5 Q 8.73 4.24 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 6 V 7.81 4.09 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 0.78 0.00 0.00 0.88 0.00 0.00 7 T 7.85 4.30 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 8 G 8.26 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 0.00 0.00 0.00 9 K 7.68 3.93 0.00 1.89 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.38 7.81 10 R 7.99 5.23 0.00 1.90 1.93 0.00 2.65 0.00 0.00 2.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 11 P 0.00 4.59 0.00 2.10 2.06 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 12 V 8.86 4.77 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 0.76 0.00 0.00 0.93 0.00 0.00 13 T 8.36 5.20 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 14 G 8.58 4.35 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 0.00 15 N 8.53 5.09 0.00 2.66 2.82 0.00 0.00 7.13 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 16 N 8.85 4.49 0.00 2.66 2.81 0.00 0.00 6.83 7.66 0.00 0.00 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 7.49 3.67 0.00 2.00 1.99 0.00 3.33 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 18 S 8.12 4.67 0.00 4.01 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 19 H 8.81 4.12 0.00 3.12 3.42 0.00 5.89 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 20 A 7.97 4.14 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 21 L 7.71 3.64 0.00 1.82 1.81 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.26 4.77 0.00 2.66 2.76 0.00 0.00 6.96 6.91 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 23 A 8.58 4.26 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.45 4.41 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 1.20 0.00 0.00 25 K 8.92 4.16 0.00 1.63 1.79 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 26 R 9.49 4.72 0.00 1.66 1.91 0.00 2.21 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 27 R 8.37 5.19 0.00 1.65 1.92 0.00 3.18 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 28 F 9.30 5.00 0.00 2.96 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 29 L 8.25 4.94 0.00 1.73 1.63 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.48 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 31 N 8.33 4.70 0.00 2.89 2.75 0.00 0.00 6.94 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.73 4.79 0.00 1.51 1.59 0.98 1.13 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 33 H 9.20 4.89 0.00 3.19 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.50 4.20 0.00 4.19 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 35 H 8.03 4.60 0.00 2.92 2.31 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.94 4.23 0.00 1.26 1.14 0.00 2.96 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 37 F 8.60 4.97 0.00 3.24 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 38 W 9.24 5.44 0.00 4.05 3.25 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 39 V 6.80 3.86 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 0.69 0.00 0.00 0.52 0.00 0.00 40 E 6.37 3.80 0.00 2.30 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 2.30 2.39 0.00 41 S 7.60 4.14 0.00 3.92 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 42 E 7.29 4.44 0.00 1.92 1.77 0.00 0.00 0.00 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 2.22 0.00 43 K 7.45 3.24 0.00 1.74 1.81 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 44 R 5.84 4.34 0.00 1.74 1.60 0.00 3.17 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 45 F 8.77 5.71 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.06 2.40 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 1.09 0.00 0.00 1.12 0.00 0.00 47 T 8.47 4.98 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 1.27 0.00 0.00 48 L 8.40 4.35 0.00 2.02 1.75 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.61 4.74 0.00 1.92 1.88 0.00 3.13 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 50 V 8.23 4.94 2.27 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 1.12 0.00 0.00 1.16 0.00 0.00 51 S 8.69 4.93 0.00 3.97 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 52 A 8.26 4.13 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 53 K 9.66 4.47 0.00 1.83 2.25 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.30 7.81 54 G 8.20 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 0.00 0.00 0.00 55 M 8.19 4.12 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.79 0.00 56 R 8.17 3.98 0.00 2.00 2.01 0.00 3.13 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 57 V 8.50 3.64 2.24 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 0.99 0.00 0.00 0.97 0.00 0.00 58 I 7.71 3.55 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.01 0.58 0.00 0.00 59 D 8.34 4.43 0.00 2.76 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 60 K 7.09 4.36 0.00 1.76 1.87 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.42 7.81 61 K 8.46 4.09 0.00 1.81 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.42 7.81 62 G 8.09 3.88 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 0.00 0.00 0.00 63 I 8.44 3.47 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.61 0.00 0.00 64 D 8.02 3.93 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.02 4.18 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 1.17 0.00 0.00 66 V 7.35 3.51 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 0.73 0.00 0.00 0.84 0.00 0.00 67 L 8.57 3.64 0.00 1.32 0.58 0.78 -0.07 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 68 A 7.23 4.03 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 69 E 7.69 4.45 0.00 2.05 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 2.30 2.53 0.00 70 L 8.58 3.83 0.00 1.87 1.78 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.04 3.96 0.00 2.19 2.23 0.00 3.17 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 72 A 7.73 3.84 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 73 R 7.16 4.37 0.00 1.77 2.03 0.00 3.38 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 74 G 8.63 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.94 4.14 0.00 2.03 1.98 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 2.35 2.34 0.00 76 K 8.03 3.94 0.00 1.86 1.80 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 77 Y 7.98 4.10 0.00 3.19 3.02 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