NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5276 8.1133 121.1217 56.2281 32.0663 173.7273 2 I 4.7387 8.8912 126.6004 59.2895 40.0934 172.6792 3 C 5.2323 9.5592 124.4690 54.7719 44.8044 173.4659 4 F 4.9833 8.9789 120.7679 57.6305 39.2650 175.1289 5 N 5.4910 9.3966 117.2697 51.8537 38.9234 174.1792 6 H 4.6086 8.4578 114.3347 55.4211 30.0492 174.3936 7 Q 4.5310 8.4593 119.7918 56.3937 31.0871 176.1763 8 S 3.7651 8.0890 118.9014 60.1551 63.3592 173.1076 9 S 4.5820 8.7145 123.6424 59.2933 62.3978 173.7696 10 Q 4.2434 8.1310 120.6349 54.6796 29.0622 174.3931 11 P 4.2680 0.0000 0.0000 62.4174 31.8421 176.8400 12 Q 3.6000 8.4562 121.3802 56.8438 29.2431 176.2620 13 T 4.9979 8.3755 111.2558 60.3751 72.5794 172.5621 14 T 5.2232 8.5101 111.9416 59.8771 72.6650 172.6682 15 K 4.5855 9.0175 123.1236 54.8721 35.5170 175.0589 16 T 4.5282 8.5448 124.2449 63.2666 68.8620 175.4500 17 C 4.6703 8.7966 124.6667 56.1434 42.7323 174.2272 18 S 4.3519 8.5925 116.4808 57.8656 63.1090 172.5184 19 P 4.3999 0.0000 0.0000 64.5676 31.4378 176.6389 20 G 4.0019 8.9239 111.0916 45.2593 0.0000 173.3568 21 E 4.1176 7.9433 121.2443 56.1745 30.0037 176.2096 22 S 4.7637 8.7359 118.8291 58.1527 65.3832 173.4978 23 S 5.2959 8.6553 116.9450 57.1632 66.1909 172.2877 24 C 5.6727 9.2011 118.5343 55.4222 38.8083 172.6508 25 Y 5.5096 8.8832 118.2517 55.6620 41.8486 173.9335 26 H 5.1149 9.6060 119.6271 54.5666 33.1674 171.6860 27 K 5.2622 9.2587 127.8364 54.7865 34.8484 174.5596 28 Q 5.1471 9.5071 128.0140 54.5324 33.1343 173.3492 29 W 5.6463 8.5263 121.2741 55.7734 32.3279 173.1327 30 S 5.2860 8.8573 115.6588 57.0384 65.6962 173.4546 31 D 4.8731 8.8735 121.8225 52.1561 42.6307 175.2899 32 F 5.0848 8.7974 113.4178 54.4085 35.7871 174.4495 33 R 4.6209 7.9367 128.4303 56.6544 32.7022 173.4025 34 G 3.7618 7.6862 103.2689 44.8686 0.0000 171.7715 35 T 4.5266 8.0799 115.6555 62.7718 69.7129 174.5382 36 I 4.1446 8.2665 127.3372 59.2424 40.0631 174.6611 37 I 4.8473 8.0765 126.7612 59.4122 40.6476 174.1742 38 E 5.0463 9.0946 126.1651 54.6878 32.5562 175.3855 39 R 4.7059 7.6686 120.7411 53.4085 35.2137 175.3775 40 G 3.9859 6.5136 106.5866 46.2073 0.0000 173.1656 41 C 4.7563 8.8284 116.5358 57.3553 41.4778 175.4078 42 G 3.7770 9.6061 110.3429 45.3386 0.0000 173.1542 43 C 4.7959 8.1588 115.1846 54.5802 44.0839 172.6821 44 P 4.4977 0.0000 0.0000 61.5844 32.1937 177.1431 45 T 4.1737 7.9732 115.9238 63.4614 69.0983 174.3872 46 V 4.4729 7.6388 121.3987 59.6601 34.7034 175.3851 47 K 4.1968 8.1771 120.0688 55.0165 32.7366 175.0731 48 P 4.2495 0.0000 0.0000 64.6613 31.3709 176.8925 49 G 3.9731 9.0348 109.1331 45.0397 0.0000 172.9323 50 I 4.5110 7.0124 120.5930 59.7537 38.7850 175.5780 51 K 4.4023 9.0802 126.9457 55.7876 33.3167 175.6293 52 L 5.4055 8.6451 126.8286 53.1983 44.7708 175.4654 53 S 4.9710 9.3561 120.2157 56.7955 66.3886 172.2591 54 C 5.7737 8.8417 118.3268 55.5531 43.7219 172.1617 55 C 5.1980 9.2866 115.8902 53.1054 45.1944 173.5832 56 E 5.0070 8.5725 115.7765 53.8650 29.0074 174.6072 57 S 4.6367 7.3820 111.4217 57.2329 66.5733 174.1573 58 E 4.0124 8.6763 120.7609 58.2349 29.7298 177.7973 59 V 3.0014 8.1939 116.8770 62.3449 29.6953 172.2365 60 C 4.5862 8.1148 113.6528 56.8975 42.6819 173.1329 61 N 4.7609 7.9385 118.3024 52.9067 37.5788 174.4621 62 N 4.2512 8.2900 121.9345 54.9770 39.0385 174.0404 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 R 8.11 4.53 0.00 2.03 1.90 0.00 3.11 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 2 I 8.89 4.74 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.22 0.76 0.00 0.00 3 C 9.56 5.23 0.00 2.79 2.86 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 4 F 8.98 4.98 0.00 3.10 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 5 N 9.40 5.49 0.00 2.64 2.81 0.00 0.00 6.95 8.47 0.00 0.00 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 H 8.46 4.61 0.00 3.26 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.46 4.53 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 8 S 8.09 3.77 0.00 3.79 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 9 S 8.71 4.58 0.00 3.80 3.83 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 10 Q 8.13 4.24 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 11 P 0.00 4.27 0.00 2.01 1.95 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 12 Q 8.46 3.60 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 1.66 2.03 0.00 13 T 8.38 5.00 4.28 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 1.26 0.00 0.00 14 T 8.51 5.22 4.26 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 0.99 0.00 0.00 15 K 9.02 4.59 0.00 1.76 1.63 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.39 7.81 16 T 8.54 4.53 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 1.20 0.00 0.00 17 C 8.80 4.67 0.00 2.87 3.03 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 18 S 8.59 4.35 0.00 3.89 3.79 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 19 P 0.00 4.40 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 20 G 8.92 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 0.00 0.00 0.00 21 E 7.94 4.12 0.00 1.94 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 2.36 2.41 0.00 22 S 8.74 4.76 0.00 3.91 4.05 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 0.00 0.00 0.00 23 S 8.66 5.30 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 24 C 9.20 5.67 0.00 2.85 3.03 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 25 Y 8.88 5.51 0.00 3.03 3.21 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 26 H 9.61 5.11 0.00 3.18 3.19 0.00 5.53 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.26 5.26 0.00 2.15 2.07 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.77 1.51 7.81 28 Q 9.51 5.15 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.33 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 29 W 8.53 5.65 0.00 3.44 3.24 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 30 S 8.86 5.29 0.00 3.79 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 31 D 8.87 4.87 0.00 3.03 3.03 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 32 F 8.80 5.08 0.00 3.18 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 33 R 7.94 4.62 0.00 1.59 1.73 0.00 3.05 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.00 34 G 7.69 3.76 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 0.00 0.00 0.00 35 T 8.08 4.53 4.14 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 0.00 0.00 1.09 0.00 0.00 36 I 8.27 4.14 0.56 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 0.90 0.47 0.23 0.00 0.00 37 I 8.08 4.85 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.61 0.00 0.00 38 E 9.09 5.05 0.00 2.20 2.03 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 2.35 2.52 0.00 39 R 7.67 4.71 0.00 1.64 1.76 0.00 3.33 0.00 0.00 3.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 40 G 6.51 3.99 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 0.00 0.00 0.00 41 C 8.83 4.76 0.00 3.05 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 42 G 9.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.80 0.00 2.93 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 44 P 0.00 4.50 0.00 1.96 1.72 0.00 3.36 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.00 45 T 7.97 4.17 4.18 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 1.17 0.00 0.00 46 V 7.64 4.47 2.03 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 0.77 0.00 0.00 0.87 0.00 0.00 47 K 8.18 4.20 0.00 1.72 1.69 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.33 7.81 48 P 0.00 4.25 0.00 2.16 2.06 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 49 G 9.03 3.97 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 0.00 0.00 0.00 50 I 7.01 4.51 1.93 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 1.02 0.00 0.00 51 K 9.08 4.40 0.00 1.96 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.46 7.81 52 L 8.65 5.41 0.00 1.62 1.53 1.01 0.96 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 53 S 9.36 4.97 0.00 3.91 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 54 C 8.84 5.77 0.00 2.87 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 55 C 9.29 5.20 0.00 2.97 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 56 E 8.57 5.01 0.00 2.06 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 2.17 2.22 0.00 57 S 7.38 4.64 0.00 3.94 3.83 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 58 E 8.68 4.01 0.00 1.93 1.85 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 2.29 2.25 0.00 59 V 8.19 3.00 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 -0.03 0.00 0.00 0.79 0.00 0.00 60 C 8.11 4.59 0.00 3.11 3.29 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 61 N 7.94 4.76 0.00 3.01 3.00 0.00 0.00 6.02 8.04 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 62 N 8.29 4.25 0.00 2.34 2.66 0.00 0.00 7.09 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