NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4560 8.1476 120.3264 55.1486 33.9599 177.4609 2 P 4.0390 0.0000 0.0000 61.6625 31.6429 176.3392 3 K 3.2787 7.9866 120.3636 58.0232 33.0987 175.9989 4 M 4.7375 9.0289 129.4854 55.6566 34.2334 174.8554 5 K 5.1745 7.7561 124.7194 56.8409 34.2314 177.2836 6 T 4.1427 8.4761 117.1766 61.8647 65.1302 174.3347 7 H 3.9621 8.1037 123.5525 58.1261 31.2597 177.5080 8 K 3.7049 8.7929 109.9024 59.3734 30.9330 178.4919 9 G 3.8530 9.6978 113.8661 48.0801 0.0000 173.6941 10 A 4.2609 8.0312 122.2171 55.6704 18.3813 179.3899 11 K 4.6253 8.3059 116.0055 58.6528 34.1514 178.3646 12 K 4.1799 8.4175 122.1134 58.4357 30.2165 177.6196 13 R 3.4319 9.4784 127.1833 55.5654 29.4146 176.2592 14 V 3.3291 8.5159 125.4008 63.9438 28.8206 171.8876 15 K 4.5854 8.4674 124.5700 54.2235 36.1888 175.8084 16 I 5.1923 8.3005 114.5096 58.8838 38.4249 175.5224 17 T 4.0950 8.2499 116.4260 60.4192 68.7247 176.5424 18 A 4.3950 8.5452 134.5749 51.7571 17.8170 177.9016 19 S 4.5165 10.7700 116.0795 60.0593 64.5796 173.6441 20 G 3.4585 7.4951 109.6258 44.7911 0.0000 172.6722 21 K 5.2120 7.7654 120.0396 54.9051 37.1045 175.1740 22 V 4.7047 5.4500 119.0734 61.8100 34.9511 173.0592 23 V 4.5750 7.7353 122.4529 61.9449 35.6457 172.4977 24 A 5.0473 8.7707 123.0466 49.8573 22.8410 175.2702 25 M 4.0006 8.8928 118.1366 55.6414 32.6125 177.1642 26 K 4.0482 9.1947 122.9398 59.5473 32.9136 177.7096 27 T 3.6315 8.3166 109.2153 62.5462 66.0360 172.4774 28 G 3.9379 7.6301 109.5146 48.5015 0.0000 173.9222 29 K 4.6406 7.5749 117.3449 55.2313 40.3500 176.2558 30 R 2.6337 7.1709 120.2856 55.4753 32.8673 175.3483 31 H 4.3330 9.0234 120.7351 55.8638 27.3878 172.0648 32 L 4.1677 6.6650 123.8613 53.9863 49.8100 177.7552 33 N 4.4397 5.7700 119.3322 51.8023 37.8216 176.6151 34 W 4.4303 8.7817 125.3434 58.2020 25.8078 175.0868 35 Q 4.2198 8.6046 115.8438 57.6197 29.8507 176.7872 36 K 3.9284 8.3585 110.5348 57.4449 33.7275 173.9451 37 S 5.2766 8.8602 115.1381 56.9600 59.8932 176.8604 38 G 3.6535 8.4958 115.2534 44.5398 0.0000 176.3194 39 K 3.6122 8.5689 115.3103 58.4624 34.8965 176.6675 40 E 3.9635 7.8743 118.2165 59.4936 29.5260 179.0420 41 I 3.5320 8.0397 119.4671 62.8595 37.3268 177.0168 42 R 3.9532 7.6729 120.1809 58.7418 30.1362 177.1417 43 Q 4.3008 7.6011 118.1935 54.6424 26.9280 175.1731 44 K 4.6394 7.7945 115.7820 55.6471 35.2642 178.5473 45 G 4.1526 7.7831 109.5976 44.8488 0.0000 172.7876 46 R 5.3783 8.1995 121.4473 55.1526 32.9214 173.9338 47 K 4.7422 8.7601 116.0924 56.1216 36.4717 174.8648 48 F 5.5564 8.6127 122.6332 56.8232 42.0411 174.0261 49 V 3.9271 8.6810 126.7014 61.1969 31.7820 175.5571 50 L 3.8405 7.9541 130.5509 55.5648 44.8329 177.3121 51 A 3.3854 7.4150 123.8854 53.5809 16.9970 181.5971 52 K 4.4355 8.0542 119.6387 59.7337 34.8662 174.7735 53 P 4.2272 0.0000 0.0000 64.5545 32.2301 177.1487 54 E 4.1213 9.9376 120.1021 58.5444 29.6715 177.4352 55 A 4.0795 7.7385 122.0290 54.0162 19.2478 180.1300 56 E 3.8375 7.8040 112.7932 58.2927 30.2851 179.1908 57 R 3.6553 8.1641 114.0768 60.7703 29.6456 177.3789 58 I 3.7837 6.5371 117.1978 64.0870 38.2920 177.8406 59 K 3.9317 8.4141 120.8528 59.9261 31.8497 178.7122 60 L 3.6577 8.5179 120.3084 57.4427 41.9597 178.4035 61 L 4.0105 7.9356 119.6609 56.5097 42.5749 177.5261 62 L 4.1457 8.6946 121.4678 57.4074 41.6950 174.8805 63 P 4.8725 0.0000 0.0000 62.4049 34.0739 173.4247 64 Y 4.5659 7.9999 121.7488 57.2117 37.4921 176.6569 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 8.15 4.46 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 2 P 0.00 4.04 0.00 2.26 2.16 0.00 3.91 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 3 K 7.99 3.28 0.00 1.86 1.64 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.34 7.81 4 M 9.03 4.74 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.23 0.00 5 K 7.76 5.17 0.00 1.91 1.94 0.00 1.06 0.00 0.00 2.12 0.00 0.00 2.42 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.43 1.63 7.81 6 T 8.48 4.14 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 1.23 0.00 0.00 7 H 8.10 3.96 0.00 3.18 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.79 3.70 0.00 1.84 1.49 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 9 G 9.70 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.03 4.26 1.28 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 0.00 0.00 0.00 11 K 8.31 4.63 0.00 1.97 2.09 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.55 7.81 12 K 8.42 4.18 0.00 1.95 1.81 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.51 7.81 13 R 9.48 3.43 0.00 1.94 1.74 0.00 3.52 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 14 V 8.52 3.33 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 0.78 0.00 0.00 1.00 0.00 0.00 15 K 8.47 4.59 0.00 1.70 1.49 0.00 1.56 0.00 0.00 1.41 0.00 0.00 2.49 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.21 1.30 7.81 16 I 8.30 5.19 1.85 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 1.10 0.85 0.90 0.00 0.00 17 T 8.25 4.09 4.22 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 0.00 0.00 0.00 1.16 0.00 0.00 18 A 8.55 4.40 1.29 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 0.00 0.00 19 S 10.77 4.52 0.00 3.99 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 20 G 7.50 3.46 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 0.00 0.00 0.00 21 K 7.77 5.21 0.00 1.91 1.68 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.98 1.61 7.81 22 V 5.45 4.70 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.83 0.00 0.00 23 V 7.74 4.57 1.93 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 0.89 0.00 0.00 0.84 0.00 0.00 24 A 8.77 5.05 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.89 4.00 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 26 K 9.19 4.05 0.00 1.73 1.86 0.00 1.88 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.60 7.81 27 T 8.32 3.63 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 28 G 7.63 3.94 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 0.00 0.00 0.00 29 K 7.57 4.64 0.00 1.32 1.36 0.00 1.64 0.00 0.00 1.50 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.41 7.81 30 R 7.17 2.63 0.00 1.67 2.09 0.00 3.34 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 31 H 9.02 4.33 0.00 3.36 3.45 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.67 4.17 0.00 0.93 1.04 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 33 N 5.77 4.44 0.00 2.06 1.52 0.00 0.00 7.22 7.68 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 34 W 8.78 4.43 0.00 3.41 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 4.22 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 36 K 8.36 3.93 0.00 2.00 1.54 0.00 1.95 0.00 0.00 2.33 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.19 1.60 7.81 37 S 8.86 5.28 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.65 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 0.00 0.00 0.00 39 K 8.57 3.61 0.00 1.86 1.96 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.39 7.81 40 E 7.87 3.96 0.00 2.07 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 2.34 2.66 0.00 41 I 8.04 3.53 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.81 0.00 0.00 42 R 7.67 3.95 0.00 2.14 1.83 0.00 3.27 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 43 Q 7.60 4.30 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 44 K 7.79 4.64 0.00 1.56 1.65 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.45 7.81 45 G 7.78 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 46 R 8.20 5.38 0.00 1.85 1.92 0.00 3.02 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 47 K 8.76 4.74 0.00 1.87 1.93 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 48 F 8.61 5.56 0.00 2.90 2.93 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 49 V 8.68 3.93 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 0.80 0.00 0.00 0.97 0.00 0.00 50 L 7.95 3.84 0.00 1.39 1.46 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.41 3.39 0.96 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 0.00 0.00 52 K 8.05 4.44 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.82 1.48 7.81 53 P 0.00 4.23 0.00 2.43 2.51 0.00 3.63 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 2.09 1.76 0.00 54 E 9.94 4.12 0.00 2.11 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 2.28 2.31 0.00 55 A 7.74 4.08 1.28 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 0.00 0.00 0.00 56 E 7.80 3.84 0.00 2.16 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 2.48 2.54 0.00 57 R 8.16 3.66 0.00 2.23 1.99 0.00 3.16 0.00 0.00 3.26 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 58 I 6.54 3.78 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.93 0.00 0.00 59 K 8.41 3.93 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.63 7.81 60 L 8.52 3.66 0.00 1.76 1.71 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.94 4.01 0.00 1.80 1.86 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.69 4.15 0.00 1.61 1.70 0.94 0.04 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 63 P 0.00 4.87 0.00 2.22 1.93 0.00 4.22 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 64 Y 8.00 4.57 0.00 2.84 2.89 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