NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5525 0.0000 0.0000 62.6234 33.6293 174.7231 2 M 5.2583 8.6372 120.6074 53.3311 35.2254 173.5466 3 I 4.8580 8.9993 124.4001 59.4565 41.2644 174.3854 4 S 5.2684 8.9030 120.1833 56.6774 66.3102 173.0935 5 C 4.7879 9.0316 121.7388 57.9353 34.3228 172.3083 6 D 5.5034 8.8915 127.2156 53.7524 41.6004 175.8719 7 M 4.5388 9.1979 120.1652 53.5197 35.2959 174.3495 8 R 4.3331 7.5566 118.4982 56.0862 30.7553 176.3376 9 Y 4.1729 8.8872 125.0674 58.9698 38.9994 175.4400 10 G 3.6216 7.9857 112.8026 45.5519 0.0000 174.7920 11 R 4.1288 7.3203 119.6649 56.1397 30.8081 177.1072 12 T 4.2257 8.7006 112.4120 61.1448 71.0936 175.6544 13 D 4.3357 8.5465 121.4217 57.7622 40.8668 179.0259 14 E 3.9562 8.1226 118.3767 59.5556 29.5119 179.3003 15 Q 3.9985 8.1788 118.0128 58.9440 28.7194 179.0178 16 K 4.0376 8.2425 119.5745 59.4208 32.0519 179.6604 17 R 3.9254 8.3070 118.4318 59.1410 29.9498 178.9846 18 A 3.9771 8.0003 120.5871 54.8209 18.2813 179.4145 19 L 3.8319 8.0673 119.1536 58.3025 42.1563 179.3578 20 S 3.7030 8.3237 114.0562 61.3100 62.8957 176.1902 21 A 4.0221 7.9835 124.6392 54.6657 18.1389 179.8764 22 G 3.4306 7.9720 104.0967 48.0001 0.0000 175.9985 23 L 3.8721 7.8816 122.2300 57.2059 41.4903 179.5967 24 L 3.8875 7.9977 119.3404 57.6307 41.5029 179.5503 25 R 3.8257 7.8356 118.5359 59.6845 30.0722 179.1115 26 V 3.6405 7.7762 112.1067 64.2356 31.5026 178.7744 27 I 3.7096 7.8396 119.8319 64.2811 36.9367 178.3218 28 S 4.2963 8.1749 115.5171 60.8217 61.9753 175.8829 29 E 3.9103 8.1632 120.9147 59.1684 29.4569 178.3624 30 A 4.1335 7.9070 120.2814 54.7530 18.6036 178.8990 31 T 4.3145 7.9925 106.1204 61.2023 69.6686 176.1466 32 G 3.8584 7.8566 109.0689 45.6539 0.0000 172.7591 33 E 4.3405 7.8161 121.1138 53.9661 30.7239 174.3708 34 P 4.4331 0.0000 0.0000 62.3477 32.4505 177.4769 35 R 3.9567 8.5445 118.2467 59.2881 30.2511 178.9744 36 E 3.9691 8.3270 116.5782 58.9727 29.4840 177.1033 37 N 4.9079 8.1109 115.1064 53.1181 39.0247 173.7450 38 I 4.9077 7.6535 116.7485 58.9487 39.9145 174.7466 39 F 5.0889 9.2398 128.5153 56.3847 42.3229 173.7360 40 F 5.4037 7.6056 126.3577 56.2935 42.3662 173.9062 41 V 3.9412 8.1940 124.7723 59.7032 34.4133 174.2951 42 I 4.5490 7.7519 124.5817 59.7895 38.8474 175.0714 43 R 4.7148 9.1168 125.6663 54.4117 32.8986 174.7005 44 E 5.7942 8.3016 122.2481 54.2765 33.0690 175.0375 45 G 4.3381 8.5070 107.7574 45.4440 0.0000 172.5630 46 S 4.7643 8.8191 115.6954 58.1179 63.6520 175.9934 47 G 3.8512 9.2802 112.7317 48.9629 0.0000 175.8672 48 I 3.7487 7.8977 118.5751 63.5029 37.9986 176.0638 49 N 4.5649 8.2466 115.7187 54.0325 38.8212 174.6598 50 F 4.5897 8.5984 118.9968 55.3289 41.1017 174.5208 51 V 4.6179 8.3789 124.5808 61.0203 33.4363 174.0543 52 Q 4.5326 8.7482 128.9668 55.6843 31.0098 175.0686 53 H 4.2103 10.0062 120.8424 56.5830 27.5471 175.6908 54 G 3.9513 8.3850 107.1446 46.4527 0.0000 173.4796 55 E 4.5897 7.7773 120.3209 54.7950 30.9398 174.9393 56 H 4.9048 8.7285 121.3179 55.6689 29.4255 175.4551 57 L 4.4745 8.8291 123.7657 53.8717 42.4305 175.1633 58 P 4.6740 0.0000 0.0000 62.0371 32.6644 175.7168 59 D 4.5457 8.6007 120.0283 54.4737 41.3272 176.2077 60 Y 4.1078 8.4790 123.3954 57.4457 39.4542 175.3067 61 V 4.0471 7.0936 125.7647 60.0698 32.9409 173.5291 62 P 4.3046 0.0000 0.0000 62.9780 31.3213 176.1771 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 4.55 0.00 2.12 2.06 0.00 3.65 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 2.02 2.14 0.00 2 M 8.64 5.26 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.81 0.00 3 I 9.00 4.86 2.03 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.92 0.00 0.00 4 S 8.90 5.27 0.00 3.85 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 5 C 9.03 4.79 0.00 3.27 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 6 D 8.89 5.50 0.00 2.74 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 7 M 9.20 4.54 0.00 1.94 1.88 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 2.32 2.46 0.00 8 R 7.56 4.33 0.00 1.44 1.84 0.00 3.29 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.00 9 Y 8.89 4.17 0.00 2.98 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 10 G 7.99 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.32 4.13 0.00 1.55 1.72 0.00 2.21 0.00 0.00 2.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 12 T 8.70 4.23 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 1.22 0.00 0.00 13 D 8.55 4.34 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.96 0.00 1.97 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 2.40 2.35 0.00 15 Q 8.18 4.00 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.24 4.04 0.00 1.93 1.85 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.58 7.81 17 R 8.31 3.93 0.00 2.01 1.98 0.00 3.29 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 1.83 0.00 18 A 8.00 3.98 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 19 L 8.07 3.83 0.00 1.86 1.90 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.32 3.70 0.00 4.21 4.36 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 21 A 7.98 4.02 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 22 G 7.97 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 3.87 0.00 1.11 1.33 0.45 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.00 3.89 0.00 1.75 1.66 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.84 3.83 0.00 1.91 2.08 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.78 3.64 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 0.70 0.00 0.00 0.96 0.00 0.00 27 I 7.84 3.71 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.11 0.90 0.00 0.00 28 S 8.17 4.30 0.00 3.93 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 29 E 8.16 3.91 0.00 2.16 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 0.00 2.31 2.31 0.00 30 A 7.91 4.13 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 31 T 7.99 4.31 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 1.26 0.00 0.00 32 G 7.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.82 4.34 0.00 2.09 1.82 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 2.28 2.29 0.00 34 P 0.00 4.43 0.00 2.59 2.16 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 35 R 8.54 3.96 0.00 1.90 2.04 0.00 3.14 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 36 E 8.33 3.97 0.00 1.95 2.05 0.00 0.00 0.00 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 2.39 0.00 37 N 8.11 4.91 0.00 2.69 2.84 0.00 0.00 7.01 7.51 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 38 I 7.65 4.91 1.90 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 1.13 0.98 0.93 0.00 0.00 39 F 9.24 5.09 0.00 3.15 2.94 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 40 F 7.61 5.40 0.00 2.70 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 41 V 8.19 3.94 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 0.84 0.00 0.00 0.87 0.00 0.00 42 I 7.75 4.55 1.64 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 1.15 -0.30 0.83 0.00 0.00 43 R 9.12 4.71 0.00 1.84 1.83 0.00 3.37 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 44 E 8.30 5.79 0.00 2.00 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 0.00 2.21 2.15 0.00 45 G 8.51 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 0.00 0.00 0.00 0.00 46 S 8.82 4.76 0.00 3.97 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 47 G 9.28 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.90 3.75 1.92 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 1.43 0.79 0.96 0.00 0.00 49 N 8.25 4.56 0.00 3.03 2.59 0.00 0.00 6.81 6.94 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 50 F 8.60 4.59 0.00 3.23 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 51 V 8.38 4.62 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 0.68 0.00 0.00 0.59 0.00 0.00 52 Q 8.75 4.53 0.00 2.15 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 5.91 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 53 H 10.01 4.21 0.00 3.38 3.39 0.00 5.61 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 54 G 8.39 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 0.00 0.00 0.00 55 E 7.78 4.59 0.00 2.07 1.87 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 2.29 2.30 0.00 56 H 8.73 4.90 0.00 3.06 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.83 4.47 0.00 1.77 1.64 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.67 0.00 2.09 2.08 0.00 3.81 0.00 0.00 3.69 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 59 D 8.60 4.55 0.00 2.73 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 60 Y 8.48 4.11 0.00 2.83 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 61 V 7.09 4.05 1.84 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 0.80 0.00 0.00 0.83 0.00 0.00 62 P 0.00 4.30 0.00 2.24 2.36 0.00 3.77 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 1.97 1.98 0.00