NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2274 8.2649 123.5781 52.1387 19.7954 178.0939 3 K 4.1660 7.4531 125.8042 53.4832 30.8679 174.7917 4 H 3.9405 7.4647 118.0388 57.7054 30.5732 173.0839 5 P 4.9026 0.0000 0.0000 60.9268 33.0472 174.7212 6 V 4.4647 8.0916 121.0312 60.5552 34.6817 171.7620 7 P 4.2239 0.0000 0.0000 61.2327 33.1725 177.0297 8 K 4.5695 8.0859 117.9369 52.7459 33.7393 172.9022 9 K 3.7970 8.5763 115.1976 54.0636 33.0213 174.9749 10 K 3.6992 8.7908 126.2919 56.9513 31.9993 175.8468 11 T 3.8290 8.2044 122.7912 63.7823 69.2144 174.0419 12 S 4.3979 8.3679 118.6810 56.7913 62.1279 177.0288 13 K 4.1077 8.3124 122.9828 54.0313 36.2170 179.1522 14 S 4.0046 7.8561 106.5471 57.4504 69.3164 177.1256 15 K 4.0349 9.0894 112.9610 55.3639 32.4331 179.1951 16 R 2.9397 8.4879 112.1743 55.5431 31.1262 178.1055 17 D 4.3829 6.6033 123.5619 58.7861 40.6397 178.5749 18 M 3.9146 9.0295 119.3409 57.2211 31.9327 179.1434 19 R 3.3443 8.7736 108.8132 58.8160 30.9121 178.3237 20 R 3.3666 8.5305 117.4035 57.8087 31.6355 174.3794 21 S 4.2859 12.0000 113.7544 61.6547 63.5956 175.9801 22 H 4.1023 7.5207 120.6782 58.3014 29.6268 174.8379 23 H 4.3786 8.0196 115.2083 54.8987 29.1297 174.0990 24 A 4.8597 7.6786 126.7539 52.0353 20.3218 177.0467 25 L 4.5853 7.4468 120.5367 55.9234 43.9454 176.6769 26 T 4.1075 8.4354 104.9189 61.8518 69.1466 171.6998 27 A 3.8693 8.5024 129.9066 50.6619 19.7025 175.3865 28 P 4.2367 0.0000 0.0000 63.5086 31.3415 177.0255 29 N 4.3475 9.2526 118.7484 55.8793 38.7062 173.7707 30 L 3.5304 7.1116 114.7405 51.0459 45.4763 175.0730 31 T 4.5391 7.5145 119.0778 61.7003 72.0390 175.1653 32 E 4.9927 8.8410 116.8004 54.3676 33.4362 173.3934 33 C 3.7918 9.6481 121.2270 59.0474 28.9115 173.0703 34 P 4.3062 0.0000 0.0000 65.7885 31.5669 177.3129 35 Q 4.3639 7.5070 114.9764 55.9856 33.4812 176.0849 36 C 3.9063 8.1308 114.3212 58.7273 40.3062 171.7288 37 H 3.8249 7.9886 115.9318 58.3797 26.4144 174.7224 38 G 3.9009 7.4631 111.2519 44.1104 0.0000 169.8350 39 K 4.7852 8.1352 119.7719 54.5214 33.8706 175.8236 40 K 4.6491 8.1766 121.8659 54.1432 36.0206 176.3768 41 L 4.3255 8.5259 119.6432 58.8680 39.5103 179.7657 42 S 3.6876 7.6746 105.7013 61.9986 61.2980 171.9429 43 H 4.4638 8.5156 125.1855 56.4358 26.7759 174.9352 44 H 6.3000 7.8480 115.7870 52.8002 32.9205 175.2090 45 I 3.7494 8.9524 114.6605 63.0316 38.2169 174.4566 46 C 5.0117 8.4523 117.8308 59.5168 30.4060 172.5545 47 P 4.3706 0.0000 0.0000 64.3548 30.5596 176.4729 48 N 5.0524 7.8641 114.6197 53.4244 42.3384 175.5334 49 C 4.7131 9.4551 110.3654 55.4846 39.8413 175.9947 50 G 4.1488 9.5053 122.0975 47.2177 0.0000 173.5959 51 Y 4.7097 7.6320 119.9269 56.6151 35.6635 175.5941 52 Y 4.2913 10.4722 135.0000 57.9602 35.6901 169.2271 53 D 4.8008 7.6448 118.1834 54.6445 47.3800 176.1649 54 G 4.0764 7.8050 106.6172 43.4267 0.0000 173.8711 55 R 4.2681 8.1425 122.2501 55.8632 28.3389 178.8170 56 Q 4.4446 7.9090 120.6607 52.5115 28.4584 176.7928 57 V 4.3814 7.0246 120.6088 63.4570 37.1239 169.0012 58 L 4.2685 8.3122 122.0403 53.9772 45.1217 175.4066 59 A 4.1184 9.0409 130.4532 52.8094 18.7490 176.9330 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 2 A 8.26 4.23 1.25 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 0.00 0.00 3 K 7.45 4.17 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 H 7.46 3.94 0.00 3.12 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.90 0.00 2.16 2.04 0.00 3.77 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 1.91 1.93 0.00 6 V 8.09 4.46 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 0.83 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.22 0.00 2.09 1.97 0.00 3.74 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 2.17 0.00 8 K 8.09 4.57 0.00 1.69 1.70 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.35 1.41 7.81 9 K 8.58 3.80 0.00 1.83 2.01 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.20 7.81 10 K 8.79 3.70 0.00 1.69 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 11 T 8.20 3.83 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 12 S 8.37 4.40 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.11 0.00 1.83 1.67 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.41 7.81 14 S 7.86 4.00 0.00 4.10 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 15 K 9.09 4.03 0.00 1.97 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.58 7.81 16 R 8.49 2.94 0.00 1.96 1.75 0.00 3.16 0.00 0.00 3.16 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 17 D 6.60 4.38 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.03 3.91 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 19 R 8.77 3.34 0.00 1.87 1.85 0.00 3.12 0.00 0.00 3.10 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 20 R 8.53 3.37 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 21 S 12.00 4.29 0.00 3.88 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 22 H 7.52 4.10 0.00 3.29 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.02 4.38 0.00 3.21 3.27 0.00 6.05 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 24 A 7.68 4.86 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 25 L 7.45 4.59 0.00 1.65 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.44 4.11 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 27 A 8.50 3.87 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.24 0.00 2.23 2.23 0.00 3.70 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 2.02 0.00 29 N 9.25 4.35 0.00 2.75 2.93 0.00 0.00 7.22 7.85 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 30 L 7.11 3.53 0.00 1.77 2.04 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.51 4.54 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 1.20 0.00 0.00 32 E 8.84 4.99 0.00 1.82 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 2.20 2.33 0.00 33 C 9.65 3.79 0.00 2.92 2.91 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.10 2.03 0.00 3.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 35 Q 7.51 4.36 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.88 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 36 C 8.13 3.91 0.00 2.90 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 37 H 7.99 3.82 0.00 3.32 3.25 0.00 5.71 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 38 G 7.46 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.14 4.79 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.49 7.81 40 K 8.18 4.65 0.00 1.72 1.66 0.00 1.56 0.00 0.00 2.06 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 L 8.53 4.33 0.00 1.72 1.63 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.67 3.69 0.00 4.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.52 4.46 0.00 3.39 3.91 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.85 6.30 0.00 3.16 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.95 3.75 2.10 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 1.21 0.00 0.00 46 C 8.45 5.01 0.00 3.09 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 47 P 0.00 4.37 0.00 2.18 2.19 0.00 3.73 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 2.01 2.03 0.00 48 N 7.86 5.05 0.00 2.65 2.81 0.00 0.00 6.96 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 49 C 9.46 4.71 0.00 3.02 2.30 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 0.00 50 G 9.51 4.15 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 0.00 0.00 0.00 51 Y 7.63 4.71 0.00 2.87 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 0.00 0.00 0.00 0.00 52 Y 10.47 4.29 0.00 3.17 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 53 D 7.64 4.80 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 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 0.00 0.00 0.00 55 R 8.14 4.27 0.00 1.67 1.83 0.00 3.08 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.00 56 Q 7.91 4.44 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 57 V 7.02 4.38 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 58 L 8.31 4.27 0.00 1.64 1.08 0.93 0.75 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 59 A 9.04 4.12 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