NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4816 8.2493 122.4697 51.6874 20.3056 175.6006 2 R 4.2746 8.4130 113.7235 54.9357 30.0556 173.4156 3 C 4.7234 8.1848 116.5121 57.0607 35.7816 175.6351 4 K 3.6724 8.3692 126.6353 59.5513 31.1682 178.3226 5 V 3.6122 6.5041 117.7582 64.9662 32.0097 176.3247 6 C 4.2050 7.8499 117.7362 58.7069 30.8975 173.8025 7 R 3.9479 7.7535 117.3484 56.4439 27.1308 175.2877 8 K 4.6784 7.6525 115.3659 54.3294 35.6945 176.3334 9 K 4.9442 7.6774 118.3968 55.1967 34.0696 174.9614 10 G 4.0283 8.2292 121.1252 46.4239 0.0000 174.4529 11 E 4.3417 8.1038 118.8308 55.7584 29.7093 177.6638 12 D 4.7987 7.8049 119.0757 54.4746 39.5658 176.6247 13 D 4.5444 7.4644 121.1193 56.0032 42.3866 176.9608 14 K 4.4935 7.2984 125.3526 54.8993 34.0176 174.0065 15 L 4.1144 8.1143 121.8559 54.5044 41.9655 177.4435 16 I 4.1083 8.4225 125.8586 60.3511 36.9859 173.1768 17 L 4.5444 8.0861 126.1948 54.0925 42.6351 175.9279 18 C 4.1861 9.1712 125.8237 59.4036 31.8403 173.6325 19 D 4.3277 9.0878 127.4641 57.5854 40.9860 177.3390 20 E 4.1057 8.2973 117.0939 59.1542 29.5383 177.4880 21 C 4.7045 7.7396 109.2894 57.1036 30.6040 173.1347 22 N 4.2836 8.2550 118.6148 54.0263 35.2861 172.4831 23 K 4.7661 7.6152 117.4554 54.3273 37.0363 175.4798 24 A 4.6686 8.6815 126.7733 51.7072 20.2958 176.1308 25 F 5.0555 8.5369 119.7784 56.2580 43.9358 174.4084 26 H 4.7415 8.9255 119.4578 55.1707 29.9309 176.4456 27 L 3.7815 8.0389 121.7524 57.9671 41.1224 179.7451 28 F 4.1931 6.2934 115.7806 61.1325 39.0162 177.2543 29 C 4.4569 8.1888 114.0448 62.7625 28.0483 175.1290 30 L 3.9970 8.1659 121.9199 56.4110 42.2496 176.7720 31 R 4.6721 8.0804 116.2012 53.7161 34.4854 174.7599 32 P 4.3517 0.0000 0.0000 65.7016 31.4901 177.5066 33 A 3.8996 7.8783 120.8473 54.5969 18.4512 177.5991 34 L 4.1197 7.4381 116.5205 54.8967 41.7079 176.4175 35 Y 4.8177 8.5476 120.9733 57.3985 40.0069 175.4863 36 E 4.8076 7.7805 116.0532 53.8004 32.8076 175.3982 37 V 3.6790 8.2235 120.2165 61.9919 30.9444 174.0458 38 P 4.3603 0.0000 0.0000 62.1325 31.4123 176.4210 39 D 4.8130 8.2220 128.8715 51.7602 39.7195 175.0598 40 G 2.9648 5.3800 116.2189 46.0958 0.0000 173.3652 41 E 4.0957 6.6958 119.1533 54.4928 28.5745 179.0557 42 W 4.6078 7.2119 124.0299 55.3090 28.1257 175.0235 43 Q 4.9386 7.4501 117.4382 54.8563 32.0507 174.1387 44 C 4.4162 8.0082 111.2249 55.2074 32.1380 172.9946 45 P 4.1760 0.0000 0.0000 65.2645 31.0746 177.9644 46 A 4.1493 7.9104 120.3471 55.2826 18.6562 178.6938 47 C 4.2405 8.0874 113.3085 62.8873 28.3490 174.6414 48 Q 4.2368 7.6824 115.8180 55.3446 29.1272 174.4696 49 P 4.3593 0.0000 0.0000 64.8270 32.0048 176.1421 50 A 4.5509 7.3068 118.9824 50.5583 21.8065 175.9954 51 T 4.1082 8.3776 109.4559 61.9085 69.1518 174.8080 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 A 8.25 4.48 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 2 R 8.41 4.27 0.00 1.97 1.97 0.00 2.61 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 C 8.18 4.72 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.67 0.00 1.37 0.74 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.11 7.81 5 V 6.50 3.61 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 0.89 0.00 0.00 0.70 0.00 0.00 6 C 7.85 4.21 0.00 3.14 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 7 R 7.75 3.95 0.00 1.93 1.99 0.00 3.18 0.00 0.00 2.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 8 K 7.65 4.68 0.00 1.90 1.69 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.57 7.81 9 K 7.68 4.94 0.00 2.06 1.81 0.00 1.27 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.33 7.81 10 G 8.23 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.34 0.00 2.13 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 2.14 2.27 0.00 12 D 7.80 4.80 0.00 2.80 2.73 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 13 D 7.46 4.54 0.00 2.81 2.77 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 0.00 0.00 0.00 14 K 7.30 4.49 0.00 1.73 1.70 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.50 7.81 15 L 8.11 4.11 0.00 1.51 1.63 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.42 4.11 1.89 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 1.20 1.46 0.94 0.00 0.00 17 L 8.09 4.54 0.00 1.58 1.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 C 9.17 4.19 0.00 2.99 3.09 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 0.00 0.00 0.00 19 D 9.09 4.33 0.00 2.71 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 20 E 8.30 4.11 0.00 2.01 2.01 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 0.00 2.35 2.34 0.00 21 C 7.74 4.70 0.00 3.05 2.99 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 0.00 0.00 0.00 22 N 8.25 4.28 0.00 2.93 2.91 0.00 0.00 6.66 7.13 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 23 K 7.62 4.77 0.00 1.84 1.89 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.49 7.81 24 A 8.68 4.67 1.24 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 0.00 0.00 0.00 25 F 8.54 5.06 0.00 2.91 2.81 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 26 H 8.93 4.74 0.00 3.36 3.03 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.04 3.78 0.00 1.05 1.55 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 F 6.29 4.19 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 4.46 0.00 3.30 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.17 4.00 0.00 1.76 1.71 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.08 4.67 0.00 1.77 1.68 0.00 3.12 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 32 P 0.00 4.35 0.00 2.22 2.24 0.00 3.76 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 1.99 1.99 0.00 33 A 7.88 3.90 1.24 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 0.00 0.00 0.00 34 L 7.44 4.12 0.00 1.76 1.46 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.55 4.82 0.00 3.04 3.09 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 0.00 0.00 0.00 36 E 7.78 4.81 0.00 2.05 1.95 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 2.17 2.24 0.00 37 V 8.22 3.68 2.16 0.00 0.00 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 38 P 0.00 4.36 0.00 2.01 2.06 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 39 D 8.22 4.81 0.00 2.68 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 40 G 5.38 2.96 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 41 E 6.70 4.10 0.00 1.71 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 2.09 2.27 0.00 42 W 7.21 4.61 0.00 3.49 2.95 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 43 Q 7.45 4.94 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 44 C 8.01 4.42 0.00 2.42 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.18 0.00 2.04 2.14 0.00 3.09 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 46 A 7.91 4.15 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 47 C 8.09 4.24 0.00 3.05 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 48 Q 7.68 4.24 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 49 P 0.00 4.36 0.00 2.19 2.19 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 50 A 7.31 4.55 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.38 4.11 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00