NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3402 8.2027 121.9797 56.4051 29.4421 173.3927 3 S 4.7228 8.1310 116.9225 57.5446 63.9505 171.2589 4 I 4.6533 8.4709 124.3183 60.4339 42.6380 173.2282 5 N 5.2669 8.4884 121.9076 50.8601 39.9638 175.9220 6 F 4.2361 9.3116 123.5694 62.1332 38.9405 177.8713 7 R 3.8233 8.1372 119.7709 61.8736 29.2041 180.4879 8 T 4.0588 7.8482 115.9060 66.2419 68.2685 176.5769 9 A 3.8887 7.6622 121.6128 55.1974 18.5938 179.5563 10 R 3.8299 7.9696 115.6912 58.2977 30.1042 177.7986 11 G 3.9651 7.3769 102.3245 44.9569 0.0000 173.3268 12 N 5.0905 7.9508 118.8361 51.5689 40.1211 176.4348 13 L 3.9354 8.1332 121.9219 58.3004 42.4172 177.5710 14 S 4.1925 7.9782 113.7811 61.4897 62.9883 176.2345 15 E 3.9773 8.0717 121.7602 59.0099 29.2182 179.2239 16 V 3.5953 7.8764 118.4429 65.9980 31.6017 178.0940 17 L 3.9680 8.5558 119.0417 57.7413 41.4362 179.3204 18 N 4.3302 8.0901 116.5351 56.4029 38.6389 177.1469 19 N 4.3243 8.1802 117.8549 56.1734 38.6168 177.5196 20 V 4.0965 7.9338 121.0805 65.6723 31.4723 177.6930 21 E 4.1516 8.4240 117.5089 59.0340 29.4118 177.8432 22 A 4.3288 7.5201 117.9039 52.3410 18.3577 177.9624 23 G 3.8493 8.3676 106.7367 45.3789 0.0000 173.3536 24 E 4.3387 7.9483 120.7081 55.3673 31.3029 175.2980 25 E 4.6422 8.7763 125.8795 55.1031 30.8495 175.3683 26 V 4.4026 8.2514 125.8943 61.1680 33.5268 174.2190 27 E 4.8214 9.1631 130.3860 55.6295 30.9792 174.8476 28 I 5.1837 9.2332 128.4612 59.8218 39.6739 174.7343 29 T 4.9037 8.8491 115.7868 59.9722 72.2667 172.7316 30 R 4.8189 8.3700 123.3408 53.9291 32.9503 175.5367 31 R 4.0501 8.5877 124.4926 57.8216 30.4543 176.3110 32 G 3.9223 9.3624 112.9685 45.8229 0.0000 172.6529 33 R 4.6193 7.6910 118.6660 54.3054 34.1486 175.4130 34 E 4.2013 8.5588 116.0717 54.9046 30.2508 176.1624 35 P 4.7714 0.0000 0.0000 61.9699 32.3438 175.5118 36 A 4.8735 9.0066 122.7774 50.1776 22.8144 175.0656 37 V 4.7585 8.4222 119.0905 61.0333 34.3567 174.4961 38 I 4.6478 8.5291 127.9850 59.2632 40.1841 174.5526 39 V 4.9524 8.0737 127.2595 60.0416 34.7841 174.2992 40 S 4.2340 8.5820 116.2552 57.8514 63.7942 175.0303 41 K 3.8373 8.9029 124.0483 59.7698 31.7856 178.7937 42 A 3.9735 7.9131 120.2961 55.5339 18.4141 179.5729 43 T 3.4964 7.3338 113.8998 66.4380 68.4489 176.6535 44 F 4.0144 8.2018 122.4602 61.4051 39.3845 176.9353 45 E 3.8805 8.6961 118.3299 59.3119 29.3462 179.2071 46 A 3.9758 7.9516 120.6268 55.5215 18.4492 179.3844 47 Y 4.2663 7.8744 115.2061 61.0005 37.9364 178.3738 48 K 3.7711 8.3757 123.4921 60.1394 32.1298 179.6128 49 K 4.0084 8.3266 123.8862 59.7200 31.6419 180.7780 50 A 4.1780 8.0561 121.7650 54.8292 18.1351 179.6222 51 A 3.9408 8.4804 119.7824 55.3251 18.4760 179.8674 52 L 4.1630 8.0287 117.4830 58.2158 41.4943 179.5275 53 D 4.5679 8.3048 117.7468 57.0423 40.7300 178.4786 54 A 4.1848 7.6783 122.7389 55.9897 18.5429 179.8512 55 E 3.9411 7.8044 115.0884 59.9432 29.9779 178.6448 56 F 4.6435 8.5785 122.2989 57.4654 39.3385 175.3115 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 Q 8.20 4.34 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 3 S 8.13 4.72 0.00 4.02 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.65 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.92 0.00 0.00 5 N 8.49 5.27 0.00 2.82 2.98 0.00 0.00 6.37 8.12 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 6 F 9.31 4.24 0.00 3.25 3.13 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 0.00 0.00 0.00 0.00 7 R 8.14 3.82 0.00 1.85 1.93 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 8 T 7.85 4.06 4.38 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 0.00 0.00 0.00 1.19 0.00 0.00 9 A 7.66 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.83 0.00 1.17 1.54 0.00 3.36 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 11 G 7.38 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.95 5.09 0.00 2.82 2.70 0.00 0.00 6.45 7.07 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 13 L 8.13 3.94 0.00 1.83 1.62 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.98 4.19 0.00 4.07 4.09 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 0.00 0.00 0.00 0.00 15 E 8.07 3.98 0.00 2.23 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 0.00 2.40 1.93 0.00 16 V 7.88 3.60 2.21 0.00 0.00 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 0.96 0.00 0.00 17 L 8.56 3.97 0.00 1.83 1.69 0.90 0.65 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 18 N 8.09 4.33 0.00 2.94 2.86 0.00 0.00 6.97 7.08 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 19 N 8.18 4.32 0.00 2.91 2.87 0.00 0.00 6.70 7.34 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 20 V 7.93 4.10 2.24 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 1.27 0.00 0.00 0.99 0.00 0.00 21 E 8.42 4.15 0.00 2.05 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 0.00 2.32 2.33 0.00 22 A 7.52 4.33 1.40 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 0.00 0.00 23 G 8.37 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 24 E 7.95 4.34 0.00 2.12 1.96 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 2.29 2.30 0.00 25 E 8.78 4.64 0.00 1.94 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 2.31 2.34 0.00 26 V 8.25 4.40 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 0.93 0.00 0.00 0.94 0.00 0.00 27 E 9.16 4.82 0.00 2.11 1.82 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 2.30 2.31 0.00 28 I 9.23 5.18 1.93 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 1.32 0.55 1.05 0.00 0.00 29 T 8.85 4.90 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 1.24 0.00 0.00 30 R 8.37 4.82 0.00 1.64 1.68 0.00 2.53 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.42 0.00 31 R 8.59 4.05 0.00 2.04 1.85 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.20 0.00 32 G 9.36 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 0.00 0.00 0.00 33 R 7.69 4.62 0.00 1.92 1.72 0.00 3.24 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 1.48 1.57 0.00 34 E 8.56 4.20 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 35 P 0.00 4.77 0.00 1.95 2.04 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 36 A 9.01 4.87 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 37 V 8.42 4.76 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 0.88 0.00 0.00 0.98 0.00 0.00 38 I 8.53 4.65 1.86 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 1.27 1.27 0.95 0.00 0.00 39 V 8.07 4.95 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 0.83 0.00 0.00 0.94 0.00 0.00 40 S 8.58 4.23 0.00 4.01 4.02 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 41 K 8.90 3.84 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.57 7.81 42 A 7.91 3.97 1.30 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 0.00 0.00 43 T 7.33 3.50 4.20 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 0.54 0.00 0.00 44 F 8.20 4.01 0.00 3.08 3.17 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 45 E 8.70 3.88 0.00 2.00 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 2.69 2.54 0.00 46 A 7.95 3.98 1.34 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 47 Y 7.87 4.27 0.00 2.96 2.83 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 48 K 8.38 3.77 0.00 1.25 1.74 0.00 1.33 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.29 7.81 49 K 8.33 4.01 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 50 A 8.06 4.18 1.41 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 51 A 8.48 3.94 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 52 L 8.03 4.16 0.00 1.93 1.79 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.30 4.57 0.00 2.80 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 54 A 7.68 4.18 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 55 E 7.80 3.94 0.00 2.03 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 2.25 2.21 0.00 56 F 8.58 4.64 0.00 2.92 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