NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4905 8.3193 115.4167 58.6544 64.5633 172.7233 2 T 4.4091 8.6215 111.7735 59.5587 71.9975 174.1906 3 I 3.7964 8.3049 122.1046 64.4261 37.4881 179.2748 4 E 3.9252 8.2323 119.6632 59.5952 29.4583 178.7190 5 E 4.0156 8.1446 118.1037 59.4569 29.5585 179.6563 6 R 4.0066 8.2477 118.1737 59.1695 30.2002 179.2796 7 V 3.7936 8.5409 118.3909 66.1438 31.6131 178.2529 8 K 4.0630 8.3065 118.2855 59.1884 31.8304 179.2854 9 K 3.9629 8.0914 119.8898 59.6743 32.1061 178.9831 10 I 3.7756 7.7021 119.5881 64.3958 36.9226 178.5016 11 I 3.8891 8.0418 120.8790 64.3816 37.0224 178.7791 12 G 3.5929 8.2352 106.6152 47.5705 0.0000 175.4335 13 E 3.9169 8.3214 121.7115 59.1672 29.5271 178.8635 14 Q 4.0462 8.1359 116.8605 58.9297 29.0018 178.3398 15 L 4.4046 8.0657 116.5075 54.0523 42.0778 177.0225 16 G 3.9237 7.7071 105.7790 46.7586 0.0000 174.0195 17 V 4.4973 7.4226 111.7370 58.4392 34.4071 176.3009 18 K 4.2103 8.3404 122.0783 56.5808 33.7012 177.6842 19 Q 3.9926 9.0548 121.4399 59.3461 28.6803 179.4819 20 E 4.0568 8.1620 113.1667 58.4149 29.6269 177.1484 21 E 4.1717 8.1181 119.5574 57.4650 30.4924 176.8534 22 V 3.9341 7.3656 120.7419 61.8479 30.1228 174.8376 23 T 4.3151 7.2797 114.4961 60.5883 70.6705 176.4399 24 N 4.4472 8.5177 118.7444 56.2767 38.7172 177.3896 25 N 4.4009 8.0192 113.6156 54.7451 39.3310 175.4102 26 A 4.1331 7.3825 121.4986 52.2531 19.0821 176.7721 27 S 4.6946 8.8739 117.8643 57.2858 64.5800 175.4592 28 F 4.0966 8.7765 123.2012 60.8656 38.5651 177.3521 29 V 3.8454 7.3743 120.3563 65.0846 32.2042 177.2632 30 E 3.9388 8.1740 121.7453 59.5253 29.9629 178.3732 31 D 4.4884 8.0461 116.9846 56.6171 41.0223 177.4494 32 L 4.3782 7.8755 116.0395 53.8630 42.1872 176.8289 33 G 3.8649 8.2325 106.4525 46.1511 0.0000 173.9262 34 A 4.1943 8.1912 123.2259 51.8858 19.0075 179.0673 35 D 4.8089 9.3621 124.0400 51.9982 42.9230 177.3703 36 S 4.0697 8.5027 114.3202 62.1807 62.7707 176.6833 37 L 3.8962 7.9194 122.1903 58.1621 41.7929 178.4002 38 D 4.3772 8.5163 119.2320 57.3316 40.6975 178.6077 39 T 3.7278 7.7634 110.2551 64.9651 68.5443 176.3970 40 V 3.4692 7.2190 121.1617 65.5234 31.6743 177.9561 41 E 3.9906 8.2073 118.1363 59.0872 29.2646 179.2059 42 L 3.9092 8.2121 121.0384 57.8434 42.1479 179.0517 43 V 3.4625 7.5900 118.2229 66.4456 31.4910 178.0495 44 M 4.3265 8.2788 119.3730 57.7010 31.8342 178.6655 45 A 4.0227 8.0039 121.1085 54.9857 18.5364 179.6013 46 L 4.2303 7.8998 117.0598 57.6967 41.9013 179.2930 47 E 4.0743 8.3489 118.7459 59.3725 29.2285 179.0795 48 E 4.0310 8.2305 119.3977 59.1437 29.5240 178.4190 49 E 3.7390 7.8646 117.9524 58.5956 29.6555 177.9151 50 F 4.6806 7.8922 114.6015 55.7432 40.4544 175.5617 51 D 4.3426 7.6523 116.9787 55.2478 39.7006 171.5616 52 T 4.7811 8.2140 112.0286 60.7508 71.4318 172.1839 53 E 4.7362 8.6000 122.1590 54.5055 32.4908 175.0986 54 I 4.4116 8.5421 124.5205 58.3074 39.8303 174.0420 55 P 4.3503 0.0000 0.0000 62.4841 32.7360 177.1308 56 D 4.3347 8.8696 122.7521 57.7471 40.6025 179.1315 57 E 4.0342 8.0706 116.0425 58.9249 30.0354 178.2473 58 E 4.2023 7.9484 118.9303 58.5458 29.9304 178.3158 59 A 3.8263 8.1188 121.2691 54.9717 18.2112 179.1994 60 E 3.8680 8.1135 117.1397 58.4177 29.7666 177.2443 61 K 4.3178 7.5400 117.0046 56.1857 32.4646 176.5215 62 I 4.2458 7.4408 119.8761 61.1663 35.8551 175.2857 63 T 4.3772 8.2939 116.4663 62.7609 69.7498 175.0476 64 T 4.7082 7.4765 111.6978 58.7297 73.1471 174.7311 65 V 3.4059 7.5014 120.7690 66.3812 31.4434 178.0233 66 Q 3.9649 8.0220 118.8573 59.1357 28.8157 178.0997 67 A 4.1201 8.0374 121.3630 54.9058 18.3479 179.5560 68 A 4.0237 8.0317 119.3064 55.3233 18.4341 179.8894 69 I 3.5734 7.8971 118.3076 64.6959 37.1869 178.2183 70 D 4.3597 8.5023 120.0880 57.6735 40.7032 178.4970 71 Y 3.8881 8.0911 119.7842 60.7060 38.7526 178.0531 72 I 3.7179 7.8643 120.7802 64.5439 36.9550 178.2226 73 N 4.3361 8.2780 116.5332 55.9796 38.3673 177.1597 74 G 3.6213 7.5778 105.5642 46.3018 0.0000 174.0191 75 H 4.6738 7.6585 115.3273 55.4975 31.0921 174.3291 76 Q 4.1355 8.1946 120.8963 55.9141 29.4739 175.7044 77 A 4.2994 8.3898 126.1367 52.4375 19.3853 175.6990 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 S 8.32 4.49 0.00 4.13 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 2 T 8.62 4.41 4.26 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 1.23 0.00 0.00 3 I 8.30 3.80 1.85 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.79 0.00 0.00 4 E 8.23 3.93 0.00 2.03 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 2.40 2.43 0.00 5 E 8.14 4.02 0.00 2.29 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 2.35 2.37 0.00 6 R 8.25 4.01 0.00 2.28 2.15 0.00 3.21 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 7 V 8.54 3.79 2.19 0.00 0.00 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 0.00 0.00 0.90 0.00 0.00 8 K 8.31 4.06 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.63 7.81 9 K 8.09 3.96 0.00 2.00 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 I 7.70 3.78 2.10 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 1.54 0.71 0.95 0.00 0.00 11 I 8.04 3.89 2.12 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.87 1.11 0.00 0.00 12 G 8.24 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.92 0.00 2.23 2.13 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 2.31 2.40 0.00 14 Q 8.14 4.05 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 15 L 8.07 4.40 0.00 1.72 1.75 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.71 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 17 V 7.42 4.50 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 0.84 0.00 0.00 0.96 0.00 0.00 18 K 8.34 4.21 0.00 2.06 1.94 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.46 7.81 19 Q 9.05 3.99 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 20 E 8.16 4.06 0.00 2.07 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 0.00 2.28 2.25 0.00 21 E 8.12 4.17 0.00 2.00 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 0.00 2.27 2.23 0.00 22 V 7.37 3.93 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 0.86 0.00 0.00 1.01 0.00 0.00 23 T 7.28 4.32 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 24 N 8.52 4.45 0.00 2.83 2.99 0.00 0.00 6.83 6.92 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 25 N 8.02 4.40 0.00 2.67 2.83 0.00 0.00 6.85 7.35 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 26 A 7.38 4.13 1.17 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 0.00 0.00 27 S 8.87 4.69 0.00 4.00 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 28 F 8.78 4.10 0.00 3.22 3.12 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 0.00 0.00 0.00 0.00 29 V 7.37 3.85 2.13 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 0.98 0.00 0.00 0.99 0.00 0.00 30 E 8.17 3.94 0.00 1.97 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 2.29 2.34 0.00 31 D 8.05 4.49 0.00 2.90 2.67 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 0.00 0.00 0.00 32 L 7.88 4.38 0.00 1.93 1.75 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.23 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 34 A 8.19 4.19 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 35 D 9.36 4.81 0.00 2.90 2.85 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 36 S 8.50 4.07 0.00 3.88 3.96 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 37 L 7.92 3.90 0.00 1.74 1.78 0.91 1.24 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 38 D 8.52 4.38 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.73 4.17 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 1.29 0.00 0.00 40 V 7.22 3.47 2.20 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 0.99 0.00 0.00 0.90 0.00 0.00 41 E 8.21 3.99 0.00 2.04 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 2.31 2.42 0.00 42 L 8.21 3.91 0.00 1.70 1.68 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.59 3.46 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 0.92 0.00 0.00 0.85 0.00 0.00 44 M 8.28 4.33 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 45 A 8.00 4.02 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 46 L 7.90 4.23 0.00 1.77 1.89 0.92 1.24 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 47 E 8.35 4.07 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 2.40 2.48 0.00 48 E 8.23 4.03 0.00 2.12 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 0.00 2.26 2.29 0.00 49 E 7.86 3.74 0.00 1.78 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 50 F 7.89 4.68 0.00 3.23 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 51 D 7.65 4.34 0.00 2.68 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 52 T 8.21 4.78 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 53 E 8.60 4.74 0.00 1.97 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 2.22 2.22 0.00 54 I 8.54 4.41 1.44 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 0.78 0.00 0.00 55 P 0.00 4.35 0.00 2.19 1.96 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 56 D 8.87 4.33 0.00 2.65 2.71 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 57 E 8.07 4.03 0.00 2.11 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 0.00 2.27 2.39 0.00 58 E 7.95 4.20 0.00 2.09 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 2.39 2.37 0.00 59 A 8.12 3.83 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.11 3.87 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 2.31 2.24 0.00 61 K 7.54 4.32 0.00 1.76 1.92 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 62 I 7.44 4.25 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 1.07 0.00 0.00 63 T 8.29 4.38 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 1.29 0.00 0.00 64 T 7.48 4.71 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 1.18 0.00 0.00 65 V 7.50 3.41 2.20 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 0.98 0.00 0.00 0.78 0.00 0.00 66 Q 8.02 3.96 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 67 A 8.04 4.12 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 68 A 8.03 4.02 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.90 3.57 2.02 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 1.52 0.87 0.89 0.00 0.00 70 D 8.50 4.36 0.00 2.90 2.75 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 71 Y 8.09 3.89 0.00 3.24 3.09 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 72 I 7.86 3.72 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.16 0.00 0.00 73 N 8.28 4.34 0.00 2.76 2.84 0.00 0.00 7.04 8.10 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 74 G 7.58 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.66 4.67 0.00 2.89 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.19 4.14 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 77 A 8.39 4.30 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00