NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0481 8.2493 123.5376 51.4302 19.9109 175.7846 2 V 3.7394 5.9672 119.0469 59.6275 34.6555 173.8391 3 A 3.7966 8.6036 125.5745 51.2684 17.9639 177.4155 4 E 4.5592 8.3729 117.9233 57.5529 32.7340 175.7446 5 S 4.7902 8.3009 112.2059 56.7056 64.2703 174.0126 6 V 4.0442 7.9681 120.9077 60.7413 33.3703 174.6686 7 I 4.0615 7.3498 119.2080 58.9343 37.7242 173.7684 8 G 4.4994 7.3246 113.2239 45.8919 0.0000 169.9474 9 K 5.2791 8.5232 123.9998 55.0393 37.2091 176.8150 10 R 4.4509 9.0573 119.4873 56.8212 30.2639 177.4335 11 V 4.0878 7.2587 118.6275 62.6135 33.9494 172.6641 12 G 4.1228 8.5061 108.0079 44.2348 0.0000 172.4650 13 D 5.2303 8.1927 116.9624 52.7621 40.1512 176.2633 14 D 4.5952 8.0540 117.2095 55.3995 42.4333 178.0937 15 G 4.2268 8.4400 111.4074 44.5993 0.0000 174.2019 16 K 4.5181 7.7208 114.1162 56.0352 33.1333 173.8682 17 T 4.4033 7.4372 116.6500 62.1953 69.4154 173.2284 18 I 4.6019 8.0756 120.5842 62.2336 42.5588 174.9833 19 E 4.7352 7.7499 119.0195 54.8228 33.1415 172.9671 20 Y 4.9841 8.5079 122.4139 56.8715 39.7193 175.1271 21 L 4.7217 9.3877 122.6544 54.0071 46.4986 174.4985 22 V 4.1417 8.0548 124.3205 60.9745 33.7051 174.5483 23 K 4.4833 7.6738 125.8228 54.3316 34.9327 176.2988 24 W 5.1379 8.3108 125.0726 55.1538 30.8999 175.6268 25 T 4.5665 8.3827 112.9521 62.0792 67.3289 173.7732 26 D 4.7977 8.0652 120.0691 54.9094 47.3800 175.4377 27 M 4.6893 7.8258 119.7801 52.1292 32.2491 175.1389 28 S 4.0214 8.1983 116.4760 59.4313 63.9409 173.8445 29 D 4.0513 8.2090 120.3885 54.6720 38.1801 172.0840 30 A 4.2387 7.9304 123.5455 51.4740 21.4215 180.6566 31 T 3.4212 6.9225 110.8578 61.4312 69.1021 177.9012 32 W 5.0098 8.0571 126.4216 56.4258 32.8122 172.4728 33 E 4.2666 8.8239 119.9334 56.1848 30.7905 178.3403 34 P 4.0052 0.0000 0.0000 66.0327 32.8537 178.6552 35 Q 4.3145 8.9724 126.0548 56.1046 27.7523 177.1385 36 D 4.9435 7.8432 117.8514 54.0000 43.4529 175.1440 37 N 5.5215 8.2416 124.5033 53.2720 39.9480 175.1270 38 V 4.2099 7.6280 113.4501 61.7355 31.8199 174.1564 39 D 4.5674 8.2794 122.6329 55.3676 47.3800 177.2493 40 S 4.2727 8.5403 111.0724 58.9810 61.0796 169.6675 41 T 4.4382 7.8240 110.6817 63.5119 68.8083 174.8922 42 L 4.4334 9.4212 120.1748 56.4168 42.5051 178.8241 43 V 4.9159 8.0582 118.8245 65.1790 31.7445 177.9297 44 L 3.8528 7.7423 118.4456 58.1412 42.6243 178.6877 45 L 4.0578 7.9530 118.7296 58.0591 41.6996 178.8129 46 Y 4.3242 7.9801 115.5697 60.1027 37.9494 177.2619 47 Q 4.4495 8.8937 120.7948 56.7085 29.2031 176.7874 48 Q 4.0366 8.2721 118.3762 60.1057 28.5699 178.3192 49 Q 4.0244 8.0958 119.1528 58.5549 28.8656 175.6466 50 Q 4.6615 8.0785 117.8668 53.7401 29.4329 175.2542 51 P 4.2689 0.0000 0.0000 63.8590 31.4198 176.0731 52 M 3.0909 7.6649 117.1583 56.9346 30.7089 176.0202 53 N 4.7982 7.9049 111.4696 51.6921 40.3751 173.7250 54 E 4.0099 8.1427 121.3626 57.5197 29.4566 174.0418 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 4.05 1.17 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 0.00 0.00 2 V 5.97 3.74 1.83 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 0.35 0.00 0.00 0.73 0.00 0.00 3 A 8.60 3.80 1.23 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 0.00 0.00 0.00 4 E 8.37 4.56 0.00 1.98 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 2.09 2.17 0.00 5 S 8.30 4.79 0.00 3.93 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 6 V 7.97 4.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.06 0.00 0.00 7 I 7.35 4.06 1.82 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 1.14 0.28 0.93 0.00 0.00 8 G 7.32 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 5.28 0.00 1.91 1.73 0.00 2.00 0.00 0.00 2.20 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.56 7.81 10 R 9.06 4.45 0.00 1.77 1.96 0.00 3.38 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 11 V 7.26 4.09 2.13 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 0.63 0.00 0.00 1.02 0.00 0.00 12 G 8.51 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 5.23 0.00 2.87 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 D 8.05 4.60 0.00 2.64 2.48 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 0.00 0.00 0.00 0.00 15 G 8.44 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 0.00 0.00 0.00 0.00 16 K 7.72 4.52 0.00 1.83 1.79 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.41 7.81 17 T 7.44 4.40 4.25 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 1.23 0.00 0.00 18 I 8.08 4.60 1.87 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 1.28 0.65 0.88 0.00 0.00 19 E 7.75 4.74 0.00 1.97 1.76 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 2.27 2.09 0.00 20 Y 8.51 4.98 0.00 3.03 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 21 L 9.39 4.72 0.00 1.54 1.59 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.05 4.14 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.64 0.00 0.00 23 K 7.67 4.48 0.00 1.38 1.53 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.40 7.81 24 W 8.31 5.14 0.00 3.17 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 25 T 8.38 4.57 4.33 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 1.26 0.00 0.00 26 D 8.07 4.80 0.00 2.64 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 27 M 7.83 4.69 0.00 2.03 2.04 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 2.50 2.49 0.00 28 S 8.20 4.02 0.00 3.91 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 29 D 8.21 4.05 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.24 1.07 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 0.00 0.00 31 T 6.92 3.42 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 1.00 0.00 0.00 32 W 8.06 5.01 0.00 2.95 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 0.00 0.00 0.00 0.00 33 E 8.82 4.27 0.00 2.30 1.83 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 2.11 1.62 0.00 34 P 0.00 4.01 0.00 2.21 1.72 0.00 4.11 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 35 Q 8.97 4.31 0.00 1.59 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 36 D 7.84 4.94 0.00 3.16 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 37 N 8.24 5.52 0.00 2.82 2.84 0.00 0.00 7.44 7.76 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 38 V 7.63 4.21 2.17 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 0.98 0.00 0.00 1.04 0.00 0.00 39 D 8.28 4.57 0.00 2.83 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 40 S 8.54 4.27 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.44 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 1.36 0.00 0.00 42 L 9.42 4.43 0.00 1.84 1.87 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.06 4.92 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 1.08 0.00 0.00 1.16 0.00 0.00 44 L 7.74 3.85 0.00 1.71 1.76 0.95 1.01 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 45 L 7.95 4.06 0.00 1.54 1.45 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.98 4.32 0.00 3.18 3.05 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 47 Q 8.89 4.45 0.00 2.53 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 48 Q 8.27 4.04 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 49 Q 8.10 4.02 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.99 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 50 Q 8.08 4.66 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 51 P 0.00 4.27 0.00 2.16 2.17 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 52 M 7.66 3.09 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 53 N 7.90 4.80 0.00 2.66 2.71 0.00 0.00 7.23 7.64 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 54 E 8.14 4.01 0.00 2.11 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 2.26 2.22 0.00