NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0016 8.3393 109.7366 45.5004 0.0000 172.6714 2 S 4.4934 8.2211 115.1071 56.6236 66.0049 171.4966 3 S 4.4892 7.8290 117.0494 57.6808 67.4683 174.5772 4 G 4.0539 8.6688 111.1785 43.9888 0.0000 173.1700 5 S 4.1373 8.3511 120.1198 59.3960 63.2952 173.2183 6 S 4.4232 8.6528 119.0786 60.0348 65.4847 175.4693 7 G 3.6135 8.6521 107.7830 47.1507 0.0000 172.5253 8 R 3.7115 8.4595 114.1069 57.3890 28.6974 176.7792 9 S 4.7471 7.9501 105.9716 58.0432 63.9603 173.5834 10 E 4.6444 7.9778 117.6080 56.0384 31.5982 175.0680 11 W 4.4300 8.7894 129.1711 58.3582 32.0852 176.2766 12 Q 4.3613 8.0183 119.1378 54.1101 31.0273 173.0078 13 Q 4.6015 8.6261 123.6485 54.6848 30.3115 175.9846 14 R 4.5534 8.2321 123.0936 54.1302 29.9348 173.9898 15 E 4.3187 7.8897 118.2292 54.5139 31.3505 177.5078 16 R 4.0000 8.4314 117.3353 55.9550 29.7892 176.1563 17 R 3.8968 8.4397 116.5751 56.7424 30.6414 176.9689 18 R 3.8244 8.6235 120.7254 59.2045 30.0991 176.4515 19 Y 5.0284 7.4522 116.9734 55.9502 39.9704 174.1372 20 K 5.2265 8.4857 123.4957 54.7941 36.1619 174.4986 21 C 4.6587 9.5130 126.7702 58.5997 32.7522 173.7755 22 D 4.5760 8.7619 123.6985 55.9015 41.6450 177.4746 23 E 4.0455 8.2802 118.2398 59.2311 29.7800 177.4882 24 C 4.3269 7.8563 111.5238 61.1478 30.7945 175.4394 25 G 4.5656 8.1015 108.7581 45.5308 0.0000 173.1307 26 K 4.7552 8.2941 117.4479 54.2397 35.7264 175.8279 27 S 5.3867 8.0616 115.1911 56.9671 66.1667 172.9648 28 F 4.8654 9.1892 118.1991 56.3709 42.5758 175.3654 29 S 4.4254 9.1425 117.3271 60.9705 63.0477 174.9030 30 H 4.9597 8.0909 118.6681 54.2916 32.9311 175.2699 31 S 3.2519 7.3584 121.7929 60.9850 62.6234 176.5184 32 S 3.9347 7.7253 116.2743 61.2718 62.1604 175.8462 33 D 4.2230 7.8762 120.9490 57.2216 40.7281 178.1968 34 L 2.8226 7.1041 120.3851 57.7945 41.7491 178.7799 35 S 3.9218 7.7028 112.1181 61.5205 62.6577 176.2536 36 K 4.0418 7.6014 120.2602 59.0248 31.6926 179.0424 37 H 4.1024 7.6837 118.5216 59.4501 29.8229 177.2953 38 R 4.0599 7.8783 119.8127 59.5361 29.9152 178.9320 39 R 4.5375 7.3873 118.3089 59.0131 29.9053 178.6552 40 T 3.8217 7.9276 111.5161 64.8343 67.1823 174.4226 41 H 4.7104 7.4921 116.3409 56.5194 30.8572 174.7292 42 T 4.1417 7.1159 110.6092 61.6187 70.9953 172.8508 43 G 4.2381 8.5840 118.4680 43.9617 0.0000 171.2691 44 E 4.7352 7.2709 118.1555 54.3149 33.2317 175.7827 45 K 3.9835 8.3932 116.1146 55.9663 32.3950 175.5880 46 P 4.3226 0.0000 0.0000 63.9800 31.6222 175.5268 47 Y 4.9961 7.4719 116.7387 56.5794 42.2107 174.6505 48 K 4.8931 8.5739 121.6301 55.7940 35.1844 174.6996 49 C 4.5002 9.8356 128.9691 59.9512 32.6109 173.2416 50 D 4.5813 8.6887 120.6660 56.0206 42.1651 177.2081 51 E 4.0401 8.2570 117.0411 59.6592 29.5961 178.0847 52 C 4.2547 8.1535 112.0782 59.1121 30.7066 173.8710 53 G 3.9542 8.3520 106.1873 46.1171 0.0000 172.3616 54 K 4.5847 7.8484 118.1591 54.1275 36.0286 174.5634 55 A 5.1228 8.0154 125.7167 50.3009 21.0783 176.1298 56 F 4.8664 8.7920 118.7468 56.2113 42.5113 175.5213 57 I 4.1215 8.7914 122.5012 64.2742 36.7631 177.4514 58 Q 4.2817 7.4239 118.5063 55.0688 30.9507 176.7118 59 R 2.9972 8.1418 121.2916 59.0436 30.2107 178.5487 60 S 4.0493 7.8938 113.4054 62.1497 62.5406 175.9206 61 H 3.9821 7.5769 116.4718 58.6679 28.4483 177.2191 62 L 3.0992 7.8860 121.6663 57.3917 41.8051 178.3906 63 I 3.7635 7.6172 118.3536 64.7327 37.2965 177.9726 64 G 3.6606 8.2316 106.2370 47.7021 0.0000 175.0439 65 H 3.9984 7.7746 120.7859 59.8827 29.7866 176.9177 66 H 3.8586 8.3303 117.9967 58.9239 28.2122 177.1401 67 R 3.8473 7.7289 119.2824 59.8025 30.0673 178.3183 68 V 3.5625 7.3538 110.3526 64.1279 31.8125 176.4732 69 H 4.9423 7.9566 116.4812 53.8109 30.1306 175.0686 70 T 3.8587 8.6160 120.8725 63.8232 68.7754 174.0865 71 G 4.0200 8.3708 113.9883 44.2803 0.0000 172.3874 72 S 4.5567 8.3021 120.7978 56.6304 66.8561 175.3224 73 G 4.0634 9.1053 112.4915 44.9403 0.0000 171.2428 74 P 4.6719 0.0000 0.0000 62.5424 31.9086 176.1137 75 S 4.8080 8.5907 118.1491 57.0503 65.2506 173.0786 76 S 4.5657 8.2871 114.0858 56.4187 65.1629 174.1686 77 G 4.1457 8.8203 113.7451 46.2228 0.0000 173.1553 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 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.49 0.00 4.00 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 3 S 7.83 4.49 0.00 3.83 3.77 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 0.00 0.00 0.00 4 G 8.67 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.35 4.14 0.00 3.87 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 6 S 8.65 4.42 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.46 3.71 0.00 1.86 1.93 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 9 S 7.95 4.75 0.00 4.04 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 10 E 7.98 4.64 0.00 2.12 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 2.21 2.35 0.00 11 W 8.79 4.43 0.00 3.23 3.30 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 12 Q 8.02 4.36 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 13 Q 8.63 4.60 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 14 R 8.23 4.55 0.00 1.75 1.84 0.00 3.24 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 15 E 7.89 4.32 0.00 2.09 1.91 0.00 0.00 0.00 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 2.26 0.00 16 R 8.43 4.00 0.00 1.93 2.04 0.00 3.13 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 17 R 8.44 3.90 0.00 1.83 1.94 0.00 3.35 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 18 R 8.62 3.82 0.00 1.08 1.01 0.00 3.11 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 19 Y 7.45 5.03 0.00 3.22 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.49 5.23 0.00 1.78 1.68 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.58 7.81 21 C 9.51 4.66 0.00 3.23 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 22 D 8.76 4.58 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.05 0.00 1.71 1.70 0.00 0.00 0.00 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 2.16 0.00 24 C 7.86 4.33 0.00 3.15 3.14 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 0.00 0.00 0.00 25 G 8.10 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 4.76 0.00 1.73 1.40 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.37 7.81 27 S 8.06 5.39 0.00 3.83 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 28 F 9.19 4.87 0.00 2.89 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 29 S 9.14 4.43 0.00 3.98 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 30 H 8.09 4.96 0.00 3.19 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.36 3.25 0.00 3.53 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 32 S 7.73 3.93 0.00 3.96 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 33 D 7.88 4.22 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.10 2.82 0.00 1.40 1.53 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.70 3.92 0.00 3.69 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 4.04 0.00 1.87 1.77 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.48 7.81 37 H 7.68 4.10 0.00 3.00 2.98 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.88 4.06 0.00 2.03 1.97 0.00 3.30 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 39 R 7.39 4.54 0.00 2.08 1.93 0.00 3.09 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 40 T 7.93 3.82 4.12 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 0.77 0.00 0.00 41 H 7.49 4.71 0.00 3.24 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.12 4.14 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 43 G 8.58 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.27 4.74 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 45 K 8.39 3.98 0.00 1.91 2.16 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.61 7.81 46 P 0.00 4.32 0.00 1.33 1.87 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 47 Y 7.47 5.00 0.00 3.24 2.95 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 48 K 8.57 4.89 0.00 1.78 1.72 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 49 C 9.84 4.50 0.00 3.37 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 50 D 8.69 4.58 0.00 2.69 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 51 E 8.26 4.04 0.00 1.41 1.61 0.00 0.00 0.00 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 2.04 0.00 52 C 8.15 4.25 0.00 3.19 3.28 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 53 G 8.35 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 0.00 0.00 0.00 54 K 7.85 4.58 0.00 1.71 1.26 0.00 1.56 0.00 0.00 1.25 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.88 1.19 7.81 55 A 8.02 5.12 1.16 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 0.00 0.00 0.00 0.00 0.00 56 F 8.79 4.87 0.00 2.89 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 57 I 8.79 4.12 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.42 0.96 0.00 0.00 58 Q 7.42 4.28 0.00 1.15 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 59 R 8.14 3.00 0.00 1.70 1.73 0.00 3.25 0.00 0.00 2.90 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 60 S 7.89 4.05 0.00 4.05 4.12 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 61 H 7.58 3.98 0.00 3.30 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.89 3.10 0.00 1.06 1.39 0.58 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.62 3.76 1.91 0.00 0.00 0.79 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 0.63 0.88 0.00 0.00 64 G 8.23 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.77 4.00 0.00 3.09 3.13 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.33 3.86 0.00 3.38 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.73 3.85 0.00 1.79 1.99 0.00 3.35 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 68 V 7.35 3.56 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 0.68 0.00 0.00 0.38 0.00 0.00 69 H 7.96 4.94 0.00 3.20 3.21 0.00 5.67 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 70 T 8.62 3.86 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 1.22 0.00 0.00 71 G 8.37 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 0.00 0.00 0.00 72 S 8.30 4.56 0.00 3.74 3.76 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 73 G 9.11 4.06 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 0.00 0.00 0.00 74 P 0.00 4.67 0.00 2.10 2.09 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 75 S 8.59 4.81 0.00 3.99 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 76 S 8.29 4.57 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.82 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