NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3427 8.3349 115.2921 57.6893 63.8318 173.1405 3 R 3.5794 8.0326 114.3995 55.8478 27.4415 170.8565 4 V 4.3447 7.6236 117.3489 60.8122 34.4668 175.1526 5 C 3.7664 8.5291 127.8442 60.9850 31.6561 174.6368 6 Q 4.0607 7.8679 123.6428 56.7903 29.0255 174.6513 7 V 3.8843 7.6573 115.0087 63.3298 32.0927 176.5724 8 T 4.4171 7.6425 106.5983 60.0885 69.3110 173.6496 9 G 3.8587 8.1819 108.7060 46.4905 0.0000 173.7659 10 K 4.0285 7.5634 121.5009 55.8874 31.8090 176.7258 11 R 4.8256 8.2140 125.7490 53.5987 32.2670 173.9699 12 P 4.5803 0.0000 0.0000 62.7804 32.0818 176.2836 13 V 4.5222 8.1628 116.2464 60.2261 34.1304 175.0109 14 T 4.6780 8.1709 112.1861 60.9062 71.4385 174.4392 15 G 4.1134 7.5790 106.9479 46.2209 0.0000 171.5633 16 N 5.6315 8.7304 116.6000 51.5235 41.5147 174.8727 17 N 4.3027 9.0254 118.8386 53.6499 39.2710 175.7165 18 R 4.2931 7.2641 116.8010 55.9195 28.8867 174.3245 19 S 4.3427 7.4110 114.1477 57.9955 64.2450 173.3974 20 H 4.0768 8.5485 119.7315 57.4472 29.7374 174.4693 21 A 3.5164 8.2585 122.7669 51.7483 16.4293 177.9636 22 L 3.6430 7.2360 115.5901 56.3303 39.3358 173.4671 23 N 5.0574 7.5330 116.1050 51.3605 41.6787 175.1772 24 A 4.6471 8.4903 124.7878 51.8860 20.1986 177.5832 25 T 4.1063 8.1571 109.0469 60.6666 70.6432 172.4029 26 K 4.4019 8.8281 127.6320 57.6552 32.0858 176.0748 27 R 4.3099 8.6685 121.0210 57.5097 31.0362 173.5606 28 R 3.9127 7.5147 122.5457 54.9068 30.0790 175.7055 29 F 4.8046 8.4499 121.2392 56.0967 40.6550 174.6983 30 L 4.7609 8.0701 120.9336 53.2100 43.1721 174.3169 31 P 4.3238 0.0000 0.0000 62.9227 31.2476 175.2861 32 N 4.3696 8.1242 117.3967 52.9042 39.4804 172.3776 33 L 4.1097 7.5130 122.5206 54.4494 41.4774 175.1104 34 H 4.7101 8.8784 113.6988 55.9093 32.3056 174.3187 35 S 4.3428 7.9943 109.5769 58.7986 61.1117 170.7843 36 H 4.6199 8.0820 127.3987 56.1188 32.1244 173.5257 37 R 4.3904 7.4383 121.7565 55.1518 30.5841 175.7633 38 F 4.9576 9.1768 123.5243 55.5591 41.8946 175.0611 39 W 5.3116 9.1985 133.8391 55.9601 30.1082 176.3832 40 V 3.0979 8.2993 120.6784 62.3893 31.3502 175.9333 41 E 2.5400 6.1771 123.4904 56.7107 29.6992 176.1254 42 S 3.9332 7.6964 112.3125 61.5526 62.9451 175.2192 43 E 3.9491 7.9244 119.9307 55.2146 29.4735 176.4470 44 K 3.2998 7.5892 116.9978 57.4820 31.6804 173.7889 45 R 4.8087 7.0604 116.5595 53.7049 32.4052 176.0091 46 F 6.1596 8.5750 128.4937 56.9973 37.3216 175.9521 47 V 4.0915 7.9809 114.4097 62.0796 33.3255 176.8704 48 T 5.2917 8.5868 117.1376 60.5266 70.1511 172.8962 49 L 4.9718 8.8139 125.6879 52.2882 46.5879 176.3161 50 R 4.4544 8.2829 119.9319 55.8932 30.1473 176.9830 51 V 3.8135 7.8148 117.4410 63.1546 32.7005 174.3376 52 S 5.0704 8.2851 117.9482 55.6827 65.7682 173.3130 53 A 4.1181 8.4465 124.1365 53.7001 18.9569 177.4234 54 K 4.1856 9.1083 125.9906 58.0150 31.6653 178.4249 55 G 3.7824 7.8132 104.0459 47.4226 0.0000 174.9334 56 M 4.1065 7.9679 120.2268 58.6221 32.6180 178.1002 57 R 4.0498 7.8702 118.1799 59.4553 30.0847 179.1888 58 V 3.6754 7.2612 117.8329 66.0083 31.0224 177.9180 59 I 3.6229 7.8727 119.8087 64.5295 36.7101 177.1867 60 D 4.8707 7.4530 115.0707 54.3172 40.6364 175.8479 61 K 4.4007 7.3299 117.5388 58.1467 34.2729 177.7311 62 K 4.0079 8.8418 117.6158 59.5673 32.0177 176.1590 63 G 4.1478 8.1038 106.7595 44.7759 0.0000 173.7088 64 I 3.5981 8.3154 127.4757 64.4759 37.0259 177.6132 65 D 4.4211 7.8537 118.3445 56.4752 41.2784 178.8167 66 T 3.9406 7.5532 116.0449 66.2772 68.2421 176.8087 67 V 3.5726 8.5873 120.1242 66.1156 31.7427 178.0779 68 L 3.6703 7.5054 117.8096 56.9079 41.0006 179.4642 69 A 3.8842 7.8270 120.9190 56.8282 19.1223 178.7215 70 E 4.2306 8.2362 122.4506 55.5878 31.4443 176.6348 71 L 3.7032 9.1816 121.0985 56.8387 42.6397 176.4695 72 R 4.1175 6.4125 119.9607 59.1301 29.8674 178.8030 73 A 4.1274 7.7745 121.4224 55.2335 18.6087 179.6564 74 R 4.0610 7.8646 112.4362 57.6815 29.6587 177.0609 75 G 3.9860 8.0669 108.1553 45.7252 0.0000 173.2657 76 E 4.5339 7.9130 120.6803 54.0440 32.3834 178.3311 77 K 4.3966 7.9468 121.1253 55.0576 31.9502 176.2458 78 Y 3.9868 8.8845 118.9791 57.9459 39.5564 168.4005 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 S 8.33 4.34 0.00 3.86 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 3 R 8.03 3.58 0.00 2.03 1.96 0.00 3.24 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 4 V 7.62 4.34 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 1.00 0.00 0.00 1.01 0.00 0.00 5 C 8.53 3.77 0.00 3.03 3.07 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 0.00 0.00 0.00 0.00 6 Q 7.87 4.06 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 7 V 7.66 3.88 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 0.86 0.00 0.00 0.90 0.00 0.00 8 T 7.64 4.42 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 1.20 0.00 0.00 9 G 8.18 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 10 K 7.56 4.03 0.00 1.80 1.73 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 11 R 8.21 4.83 0.00 1.85 1.87 0.00 3.26 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 12 P 0.00 4.58 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 13 V 8.16 4.52 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 0.80 0.00 0.00 1.17 0.00 0.00 14 T 8.17 4.68 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 15 G 7.58 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.73 5.63 0.00 2.58 2.68 0.00 0.00 6.80 8.00 0.00 0.00 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 N 9.03 4.30 0.00 2.59 2.87 0.00 0.00 7.13 7.20 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 18 R 7.26 4.29 0.00 1.88 1.90 0.00 3.18 0.00 0.00 3.14 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 19 S 7.41 4.34 0.00 4.06 4.03 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 0.00 0.00 0.00 20 H 8.55 4.08 0.00 3.11 3.30 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.26 3.52 1.37 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 0.00 0.00 0.00 22 L 7.24 3.64 0.00 1.70 1.68 0.90 1.05 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 23 N 7.53 5.06 0.00 2.63 2.70 0.00 0.00 6.86 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 24 A 8.49 4.65 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 25 T 8.16 4.11 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 1.20 0.00 0.00 26 K 8.83 4.40 0.00 1.62 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.37 7.81 27 R 8.67 4.31 0.00 1.55 1.89 0.00 2.73 0.00 0.00 2.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 28 R 7.51 3.91 0.00 2.15 2.03 0.00 2.97 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 29 F 8.45 4.80 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.76 0.00 1.71 1.61 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.32 0.00 2.07 2.08 0.00 3.69 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 2.19 2.11 0.00 32 N 8.12 4.37 0.00 2.68 2.78 0.00 0.00 7.06 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 33 L 7.51 4.11 0.00 1.75 1.62 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.88 4.71 0.00 3.14 3.25 0.00 5.85 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.99 4.34 0.00 4.10 3.95 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 0.00 0.00 0.00 36 H 8.08 4.62 0.00 3.25 3.21 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.44 4.39 0.00 1.31 1.33 0.00 2.21 0.00 0.00 2.89 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.00 38 F 9.18 4.96 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 39 W 9.20 5.31 0.00 3.19 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 40 V 8.30 3.10 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 0.77 0.00 0.00 0.72 0.00 0.00 41 E 6.18 2.54 0.00 1.89 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 2.19 2.34 0.00 42 S 7.70 3.93 0.00 3.93 3.88 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 43 E 7.92 3.95 0.00 1.99 1.88 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 2.36 2.29 0.00 44 K 7.59 3.30 0.00 1.77 1.83 0.00 1.89 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 45 R 7.06 4.81 0.00 1.93 1.80 0.00 3.19 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 46 F 8.58 6.16 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.09 2.35 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 0.89 0.00 0.00 1.20 0.00 0.00 48 T 8.59 5.29 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 1.26 0.00 0.00 49 L 8.81 4.97 0.00 1.71 1.51 0.65 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.28 4.45 0.00 1.79 1.93 0.00 3.33 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 51 V 7.81 3.81 2.37 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 1.17 0.00 0.00 1.00 0.00 0.00 52 S 8.29 5.07 0.00 4.00 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 53 A 8.45 4.12 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 54 K 9.11 4.19 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.36 7.81 55 G 7.81 3.78 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 0.00 0.00 0.00 56 M 7.97 4.11 0.00 2.16 2.27 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 2.94 2.80 0.00 57 R 7.87 4.05 0.00 2.18 2.00 0.00 3.19 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 V 7.26 3.68 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 59 I 7.87 3.62 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 0.73 0.00 0.00 60 D 7.45 4.87 0.00 2.75 2.73 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 0.00 0.00 0.00 0.00 61 K 7.33 4.40 0.00 1.77 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 62 K 8.84 4.01 0.00 1.84 1.80 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.36 7.81 63 G 8.10 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 64 I 8.32 3.60 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.26 0.89 0.00 0.00 65 D 7.85 4.42 0.00 2.62 2.63 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 66 T 7.55 3.94 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 1.17 0.00 0.00 67 V 8.59 3.57 1.88 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 0.65 0.00 0.00 0.87 0.00 0.00 68 L 7.51 3.67 0.00 1.39 0.99 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.83 3.88 1.27 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 0.00 0.00 0.00 70 E 8.24 4.23 0.00 2.10 1.77 0.00 0.00 0.00 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 2.55 0.00 71 L 9.18 3.70 0.00 1.78 1.36 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.41 4.12 0.00 2.27 2.42 0.00 3.22 0.00 0.00 3.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.74 0.00 73 A 7.77 4.13 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 74 R 7.86 4.06 0.00 1.98 2.08 0.00 3.26 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 75 G 8.07 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 0.00 0.00 0.00 76 E 7.91 4.53 0.00 1.94 1.94 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 2.30 2.39 0.00 77 K 7.95 4.40 0.00 1.94 1.07 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 Y 8.88 3.99 0.00 3.06 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