NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4273 8.3044 120.3332 55.2935 34.6617 175.8378 2 K 3.9827 7.6644 120.6011 55.0119 30.7199 173.7661 3 G 4.0961 7.5522 115.0664 45.9694 0.0000 173.3289 4 M 4.3416 7.3119 120.7087 53.0605 30.2421 177.2220 5 S 4.6333 7.7794 121.9315 59.1678 60.7077 173.1465 6 K 4.2058 8.5035 120.5271 54.9121 32.1828 174.0389 7 M 2.9785 8.3304 122.8177 54.3910 29.7758 173.1110 8 P 4.3982 0.0000 0.0000 62.0648 32.4838 175.0175 9 Q 4.5669 8.9722 122.2775 54.0434 31.3392 174.2009 10 F 5.0947 7.5626 117.6962 55.0006 40.4937 174.5051 11 N 4.5174 8.9700 122.4193 51.9032 37.9649 173.7591 12 L 4.5383 7.9749 125.3844 54.2277 42.1837 176.6865 13 R 4.5275 8.3504 116.0342 54.2533 31.6880 174.5828 14 W 5.2161 8.5382 122.0916 53.4434 32.7259 173.4637 15 P 4.3590 0.0000 0.0000 63.2713 31.2014 177.1266 16 R 3.9441 8.8432 120.2186 60.0251 29.8001 178.7455 17 E 4.0013 8.1444 117.7803 59.0824 29.4917 179.3215 18 V 3.5871 7.8822 118.6814 66.0177 31.8711 178.2124 19 L 4.4232 8.0992 119.0701 58.8120 40.2228 178.8384 20 D 4.3297 8.3879 120.0296 57.3276 40.7686 178.4213 21 L 4.0767 8.4093 121.1082 57.6430 42.0448 178.8710 22 V 3.6208 8.3456 119.0058 66.0204 31.4324 177.9997 23 R 3.9320 7.9295 117.3519 59.3570 29.9478 179.1992 24 K 3.9681 7.8406 117.7349 59.6021 32.0961 179.7367 25 V 3.6305 8.1505 118.5629 65.8453 31.3902 177.9324 26 A 4.7369 8.6704 122.1146 54.3996 17.6950 179.4812 27 E 3.9613 8.2840 117.6898 59.2191 29.3194 178.7600 28 E 3.8129 7.8989 118.9366 59.4309 30.1375 178.3623 29 N 4.5962 8.2379 116.9179 53.8244 37.5532 176.0138 30 G 4.4068 7.8361 108.7975 45.9797 0.0000 173.2257 31 R 4.7665 7.9063 117.3649 53.7904 33.0661 176.3131 32 S 4.3563 8.4941 112.7658 58.7874 63.1610 175.7312 33 V 3.4666 8.1937 123.8388 65.6894 31.3671 173.6855 34 N 4.2703 7.9618 116.2524 56.9396 38.6463 176.5123 35 S 4.1972 7.7979 112.9567 60.8207 62.4634 175.8158 36 E 4.1830 7.9205 123.1111 58.8490 29.5681 178.5540 37 I 3.7945 8.2172 120.3323 64.6301 37.1799 177.2973 38 Y 4.2179 8.0121 119.9905 61.2748 38.0786 178.5317 39 Q 3.9845 8.4544 118.1513 59.2873 28.7929 178.6617 40 R 3.9250 7.8952 119.6977 59.0166 30.0828 179.1466 41 V 3.2577 7.6965 118.1144 66.0076 31.1995 178.0419 42 M 4.0192 7.3784 117.6163 58.2222 31.8594 177.8880 43 E 4.0592 8.3363 119.6896 59.3185 29.7107 179.1691 44 S 4.1573 7.8019 114.6637 61.6295 62.7941 176.4464 45 F 4.6176 8.0242 118.0732 59.4296 38.5916 177.1429 46 K 4.1040 7.6628 118.2124 58.2005 32.6362 177.2531 47 K 4.6380 8.0988 119.6309 54.8144 32.5493 175.8769 48 E 3.9134 8.0775 115.5376 58.0782 30.7219 174.9394 49 G 3.8611 9.0737 113.9041 44.6629 0.0000 175.0343 50 R 4.3164 8.4370 121.6883 53.8623 29.7840 175.3515 51 I 4.1926 6.7707 111.8000 62.2177 38.4974 175.7474 52 G 4.3434 9.7417 117.0006 45.2703 0.0000 173.2034 53 A 4.2420 7.3005 125.6024 51.7069 19.3095 175.5597 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 M 8.30 4.43 0.00 2.10 2.44 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 2 K 7.66 3.98 0.00 1.94 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 3 G 7.55 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.31 4.34 0.00 2.12 2.10 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 2.51 2.47 0.00 5 S 7.78 4.63 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.21 0.00 1.71 1.73 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.32 7.81 7 M 8.33 2.98 0.00 2.09 2.05 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 2.47 2.49 0.00 8 P 0.00 4.40 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.73 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 9 Q 8.97 4.57 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 10 F 7.56 5.09 0.00 3.05 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 11 N 8.97 4.52 0.00 2.64 2.79 0.00 0.00 7.14 7.78 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 12 L 7.97 4.54 0.00 1.76 1.75 -0.31 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.35 4.53 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 14 W 8.54 5.22 0.00 3.30 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 15 P 0.00 4.36 0.00 2.24 2.23 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 16 R 8.84 3.94 0.00 1.93 2.01 0.00 3.19 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.76 0.00 17 E 8.14 4.00 0.00 2.11 1.99 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 2.41 2.44 0.00 18 V 7.88 3.59 2.29 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 0.87 0.00 0.00 0.87 0.00 0.00 19 L 8.10 4.42 0.00 2.02 2.15 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.39 4.33 0.00 2.96 2.78 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 21 L 8.41 4.08 0.00 1.79 1.73 0.93 0.76 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 22 V 8.35 3.62 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.12 0.00 0.00 23 R 7.93 3.93 0.00 2.24 1.99 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 24 K 7.84 3.97 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.69 7.81 25 V 8.15 3.63 2.10 0.00 0.00 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 0.99 0.00 0.00 26 A 8.67 4.74 1.50 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 27 E 8.28 3.96 0.00 2.31 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 2.33 2.59 0.00 28 E 7.90 3.81 0.00 1.98 2.18 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 2.33 2.33 0.00 29 N 8.24 4.60 0.00 3.07 3.06 0.00 0.00 7.26 7.16 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 30 G 7.84 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.77 0.00 1.77 1.91 0.00 3.33 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 32 S 8.49 4.36 0.00 3.95 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 33 V 8.19 3.47 2.06 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 0.98 0.00 0.00 0.94 0.00 0.00 34 N 7.96 4.27 0.00 2.80 2.76 0.00 0.00 6.70 7.15 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 35 S 7.80 4.20 0.00 3.92 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 36 E 7.92 4.18 0.00 2.08 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 2.62 2.44 0.00 37 I 8.22 3.79 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.69 1.08 0.00 0.00 38 Y 8.01 4.22 0.00 3.16 3.18 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 0.00 39 Q 8.45 3.98 0.00 2.42 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.75 0.00 40 R 7.90 3.93 0.00 1.84 1.99 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 41 V 7.70 3.26 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 0.16 0.00 0.00 0.90 0.00 0.00 42 M 7.38 4.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 43 E 8.34 4.06 0.00 2.00 2.14 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 2.29 2.35 0.00 44 S 7.80 4.16 0.00 3.90 3.86 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 45 F 8.02 4.62 0.00 3.22 2.55 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 46 K 7.66 4.10 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.65 7.81 47 K 8.10 4.64 0.00 2.04 1.79 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.39 7.81 48 E 8.08 3.91 0.00 1.89 1.98 0.00 0.00 0.00 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 2.22 0.00 49 G 9.07 3.86 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 0.00 0.00 0.00 50 R 8.44 4.32 0.00 1.89 1.84 0.00 3.25 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 51 I 6.77 4.19 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.91 1.15 0.00 0.00 52 G 9.74 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.30 4.24 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