NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8398 8.3093 119.3877 57.8195 40.2080 174.6555 4 R 4.5251 8.4934 117.1560 55.2823 31.6762 173.2994 5 I 4.1103 8.7330 122.8424 61.6805 39.1946 176.4615 6 R 5.2030 9.3659 125.5937 54.3045 34.4821 174.4661 7 K 4.7254 9.2118 121.0847 54.7728 36.2882 174.6924 8 C 4.4903 8.8811 128.3383 58.7304 31.8652 172.8256 9 P 4.2729 0.0000 0.0000 65.0628 31.4216 177.6392 10 K 4.2270 7.7306 116.2912 57.8484 32.5191 177.2974 11 C 4.4318 7.9883 110.5341 57.3096 30.8100 174.4242 12 G 3.7129 7.9517 108.1209 45.8906 0.0000 173.0574 13 R 4.1852 7.5941 120.5559 55.8228 31.2473 174.9492 14 Y 4.7627 8.6182 124.3765 58.1125 39.0575 174.5261 15 T 4.6893 9.0719 117.2341 61.6146 71.3936 173.7058 16 L 4.7586 8.5817 122.4143 54.6479 42.7834 177.3777 17 K 4.4140 7.9120 118.5410 55.6372 33.1239 176.8808 18 E 4.2098 8.7104 120.3305 58.7168 30.5644 177.1922 19 V 4.8027 7.5782 111.1375 59.3782 34.2241 175.5145 20 C 4.4348 8.9388 125.4906 58.6541 31.9675 172.8038 21 P 4.3764 0.0000 0.0000 64.6860 31.4901 177.3413 22 V 3.9738 7.7442 118.4964 64.6239 32.0558 176.0952 23 C 4.3949 8.0327 112.0398 57.4057 31.5379 172.8054 24 G 3.6053 8.5113 107.9273 45.1790 0.0000 171.4247 25 E 4.8003 7.2663 116.6674 54.3945 34.3745 176.3853 26 K 4.6328 8.6041 120.3176 56.9210 32.4275 177.2811 27 T 4.5357 8.7015 115.9334 60.8959 70.6021 174.1348 28 K 4.7318 8.8167 121.6210 54.1030 35.7788 176.0326 29 V 3.9317 8.3807 122.5222 63.2342 31.4654 176.2076 30 A 4.1980 8.8848 130.9575 54.9417 18.6461 177.9268 31 H 4.5628 7.8613 110.7699 54.0028 29.6860 173.5537 32 P 4.4298 0.0000 0.0000 61.6422 31.9885 174.3396 33 P 4.4552 0.0000 0.0000 62.0875 31.9922 176.1341 34 R 3.9481 8.5133 119.6923 56.8189 30.3638 175.4322 35 F 4.8716 8.7341 126.8314 56.3718 41.4797 174.3320 36 S 4.5260 7.1387 121.0192 55.2859 64.2513 173.0799 37 P 4.3599 0.0000 0.0000 65.5970 31.2496 177.4766 38 E 3.8241 7.8283 118.4414 57.8015 29.8840 176.6901 39 D 4.1076 7.5855 116.4433 54.7042 39.6069 172.5291 40 P 4.1497 0.0000 0.0000 64.7747 32.2069 177.4069 41 Y 5.0715 7.6432 115.0495 57.5224 38.9122 177.8881 42 G 3.8424 7.9486 111.7687 47.4560 0.0000 176.1582 43 E 3.9770 8.1509 120.3842 59.4660 29.3367 178.8014 44 Y 4.2060 7.9252 116.3590 60.7710 38.0405 177.8312 45 R 4.2342 8.3673 119.9288 59.6742 30.2083 178.8601 46 R 3.9951 8.3581 117.9108 59.1243 30.0928 179.2589 47 R 3.9419 7.9290 118.2586 58.9532 30.0869 178.8265 48 W 4.2757 8.1279 128.2155 60.4837 30.6686 177.9921 49 K 3.2085 8.2659 119.7260 59.2614 31.5232 179.0787 50 R 3.8353 8.5006 118.7990 58.9296 29.8508 178.6764 51 E 3.8573 7.9946 118.8306 59.1499 29.4482 179.1024 52 V 3.4588 7.2066 116.9186 66.0529 31.7602 177.7834 53 L 4.0934 7.7774 116.5546 55.0592 42.3167 176.5793 54 G 3.6337 7.5717 105.5700 46.7449 0.0000 173.7493 55 I 4.0368 8.2441 123.6881 61.1852 37.4284 176.2872 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 3 F 8.31 4.84 0.00 3.12 3.08 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 4 R 8.49 4.53 0.00 1.98 1.99 0.00 3.04 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 5 I 8.73 4.11 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 1.08 0.00 0.00 6 R 9.37 5.20 0.00 1.82 1.92 0.00 3.11 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 7 K 9.21 4.73 0.00 1.30 1.36 0.00 1.05 0.00 0.00 1.33 0.00 0.00 2.57 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.96 0.41 7.81 8 C 8.88 4.49 0.00 2.98 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 9 P 0.00 4.27 0.00 2.06 2.07 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 10 K 7.73 4.23 0.00 2.02 1.84 0.00 1.54 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 11 C 7.99 4.43 0.00 3.04 3.01 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 0.00 0.00 0.00 12 G 7.95 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.59 4.19 0.00 1.94 1.77 0.00 3.26 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 14 Y 8.62 4.76 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.07 4.69 4.27 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 1.27 0.00 0.00 16 L 8.58 4.76 0.00 1.69 1.71 0.94 0.93 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 17 K 7.91 4.41 0.00 1.90 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.56 7.81 18 E 8.71 4.21 0.00 1.90 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 0.00 2.41 2.29 0.00 19 V 7.58 4.80 2.08 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 0.67 0.00 0.00 0.94 0.00 0.00 20 C 8.94 4.43 0.00 2.98 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 21 P 0.00 4.38 0.00 2.23 2.17 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 22 V 7.74 3.97 2.08 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 0.85 0.00 0.00 0.94 0.00 0.00 23 C 8.03 4.39 0.00 3.09 3.01 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 0.00 0.00 0.00 24 G 8.51 3.61 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 0.00 0.00 0.00 25 E 7.27 4.80 0.00 1.99 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 0.00 2.24 2.32 0.00 26 K 8.60 4.63 0.00 1.66 1.80 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 T 8.70 4.54 4.32 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 1.20 0.00 0.00 28 K 8.82 4.73 0.00 1.62 1.69 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 29 V 8.38 3.93 2.02 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 0.86 0.00 0.00 0.96 0.00 0.00 30 A 8.88 4.20 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.86 4.56 0.00 3.02 3.05 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.43 0.00 2.21 2.09 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 33 P 0.00 4.46 0.00 2.26 2.12 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 34 R 8.51 3.95 0.00 1.85 1.95 0.00 3.24 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 35 F 8.73 4.87 0.00 3.00 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 36 S 7.14 4.53 0.00 3.70 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.23 2.26 0.00 3.73 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 2.02 0.00 38 E 7.83 3.82 0.00 1.82 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 2.29 2.24 0.00 39 D 7.59 4.11 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 0.98 1.64 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 41 Y 7.64 5.07 0.00 3.14 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 42 G 7.95 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 0.00 0.00 0.00 43 E 8.15 3.98 0.00 1.66 1.67 0.00 0.00 0.00 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 2.21 0.00 44 Y 7.93 4.21 0.00 3.34 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 45 R 8.37 4.23 0.00 2.20 2.29 0.00 3.38 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 46 R 8.36 4.00 0.00 2.16 1.98 0.00 3.20 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 47 R 7.93 3.94 0.00 2.11 2.07 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 48 W 8.13 4.28 0.00 3.36 3.47 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 0.00 0.00 0.00 0.00 49 K 8.27 3.21 0.00 1.80 1.78 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.03 7.81 50 R 8.50 3.84 0.00 1.90 1.94 0.00 3.17 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 51 E 7.99 3.86 0.00 2.18 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 0.00 2.31 2.34 0.00 52 V 7.21 3.46 1.73 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 0.71 0.00 0.00 0.60 0.00 0.00 53 L 7.78 4.09 0.00 1.56 1.63 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.57 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.04 1.83 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 1.12 0.66 0.89 0.00 0.00