NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9775 8.3549 109.7361 45.8370 0.0000 173.5865 2 S 4.2459 8.1285 116.4949 56.2678 65.1437 172.3578 3 H 3.9749 9.0587 124.2463 55.1774 30.4252 173.4451 4 M 4.0071 7.3193 120.2424 54.3554 32.1408 176.0366 5 P 4.3720 0.0000 0.0000 64.5263 31.9380 176.7489 6 L 4.6844 7.6641 119.0920 54.5065 42.0010 177.7807 7 E 3.8726 7.5699 118.6453 58.8260 29.3853 179.2249 8 F 4.2410 7.6177 117.4702 60.3521 39.3220 176.4970 9 L 3.7961 8.2868 120.9646 57.4579 41.4338 178.9437 10 R 4.1961 7.8067 115.6286 57.7274 29.8306 176.6160 11 N 4.9707 7.9213 113.3141 52.6644 40.4729 173.8676 12 Q 4.4660 8.1047 119.6144 54.1708 30.2338 174.5957 13 P 4.3227 0.0000 0.0000 65.8380 31.6903 178.3751 14 Q 4.2220 8.1504 114.3446 58.0271 29.0200 177.1862 15 F 4.2923 8.1408 116.1407 58.9804 39.1558 176.9827 16 Q 4.2126 7.8170 116.6146 57.6952 28.6713 176.8660 17 Q 4.4837 7.6527 117.1508 57.5809 30.6906 177.4408 18 M 4.0272 7.9074 117.7630 58.6380 30.9918 178.7842 19 R 3.9568 7.8944 118.4141 58.9590 30.0739 178.7371 20 Q 4.0487 7.7365 117.0436 58.7661 28.8104 178.5756 21 I 3.8797 7.4535 121.1227 64.4841 36.9874 178.5516 22 I 3.9595 7.6834 120.1484 64.1978 36.8052 177.6719 23 Q 4.3715 7.8815 115.8416 57.1836 28.3956 176.6518 24 Q 4.5030 7.6298 116.9735 56.4069 31.6631 175.4477 25 N 4.9694 8.2906 115.7329 49.7108 39.1286 172.9426 26 P 4.4234 0.0000 0.0000 65.1746 31.5157 178.3735 27 S 4.2550 8.1855 113.0123 60.5643 62.8803 175.1916 28 L 4.5355 7.7624 121.3625 54.2067 41.7611 177.5387 29 L 3.9664 7.8605 122.7304 57.9651 41.9514 176.9337 30 P 4.2290 0.0000 0.0000 65.8315 31.0336 178.2813 31 A 4.2845 8.0400 117.7453 53.8989 18.1936 178.6150 32 L 4.1015 7.5412 118.5521 57.0400 42.7246 178.2710 33 L 3.9044 7.8428 118.9068 58.1398 41.3950 179.6537 34 Q 3.9892 8.2731 116.7769 58.7026 28.7501 178.2777 35 Q 4.1417 7.5193 120.5201 58.7176 29.1851 177.7392 36 I 3.8193 8.1284 121.4640 64.2684 36.9852 178.0595 37 G 3.8222 8.1056 103.5192 46.1211 0.0000 174.4046 38 R 4.6581 7.9491 118.7327 55.8481 31.3413 175.7981 39 E 4.6851 7.9933 113.3394 56.4663 32.9921 175.4868 40 N 5.0199 8.6919 118.3460 50.3686 39.7255 172.7060 41 P 4.3847 0.0000 0.0000 65.0566 31.8681 178.5678 42 Q 3.9861 8.0402 118.2176 58.7824 28.8204 177.7450 43 L 3.9785 8.4038 121.4355 57.6806 41.9450 178.8797 44 L 3.8419 7.8893 120.4924 58.3663 42.2419 178.8983 45 Q 3.9463 7.9173 117.6624 59.0915 28.3350 179.2539 46 Q 3.9508 7.6572 117.9136 58.9521 29.2529 178.1767 47 I 3.8193 8.0687 121.2565 64.5757 36.8360 178.7241 48 S 4.1440 8.0906 115.3304 61.5540 62.7456 176.3812 49 Q 4.2012 7.8300 118.9835 57.7692 28.7573 176.1523 50 H 5.1413 7.9330 117.4155 54.7875 30.4934 175.5498 51 Q 4.1724 8.3674 122.6906 59.1679 28.8045 176.7103 52 E 3.9658 8.1270 120.1604 59.6296 30.1255 178.3961 53 H 4.5793 8.0332 117.0300 57.9504 28.7791 177.5260 54 F 4.2557 8.4735 122.8351 61.4932 39.3396 177.1561 55 I 3.7253 7.9474 119.4548 64.5140 36.5834 178.0791 56 Q 4.1686 8.5060 118.1209 57.8563 28.4192 177.5657 57 M 4.3230 7.0544 117.8719 56.7474 33.8187 177.4303 58 L 3.6187 7.5882 119.6324 57.4848 42.1181 177.0151 59 N 4.7126 7.9225 114.2268 52.9148 39.2383 174.3674 60 E 4.2663 7.6599 115.1735 55.2607 30.7234 174.7167 61 P 4.2678 0.0000 0.0000 63.0683 31.6407 176.4288 62 V 4.5239 8.1096 121.9431 60.0537 34.2721 174.5591 63 Q 4.6090 8.2480 120.2167 54.0531 33.1560 174.4590 64 E 4.3002 8.5090 118.4564 56.1393 30.0453 178.3154 65 A 4.1767 8.9532 124.9423 54.4291 18.5681 178.7772 66 G 4.1654 7.9201 102.9263 45.0197 0.0000 174.0974 67 G 3.9821 8.1806 107.2708 46.3766 0.0000 174.8281 68 Q 4.5219 7.9679 114.8133 55.9168 29.9609 175.7441 69 G 4.0624 8.2196 105.9687 45.7898 0.0000 173.6245 70 G 3.9579 6.9876 107.6379 44.6840 0.0000 174.7314 71 G 5.0500 8.4445 119.7751 46.4661 0.0000 172.9662 72 G 3.7564 7.6992 113.0138 46.4461 0.0000 172.8621 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 8.35 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.25 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.06 3.97 0.00 3.18 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.32 4.01 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 5 P 0.00 4.37 0.00 2.00 2.05 0.00 3.53 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 6 L 7.66 4.68 0.00 1.80 1.81 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.57 3.87 0.00 2.06 2.12 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 1.85 1.59 0.00 8 F 7.62 4.24 0.00 3.03 3.10 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 0.00 0.00 0.00 9 L 8.29 3.80 0.00 1.71 1.47 1.13 0.16 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 10 R 7.81 4.20 0.00 1.97 1.97 0.00 3.10 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 11 N 7.92 4.97 0.00 2.67 2.81 0.00 0.00 6.99 7.69 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 12 Q 8.10 4.47 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 13 P 0.00 4.32 0.00 2.23 2.16 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 14 Q 8.15 4.22 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 7.43 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 15 F 8.14 4.29 0.00 3.36 3.25 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 0.00 0.00 0.00 0.00 16 Q 7.82 4.21 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 17 Q 7.65 4.48 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 18 M 7.91 4.03 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 19 R 7.89 3.96 0.00 1.85 2.10 0.00 2.91 0.00 0.00 3.50 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 20 Q 7.74 4.05 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 21 I 7.45 3.88 1.97 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 1.51 0.93 0.90 0.00 0.00 22 I 7.68 3.96 1.88 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 1.88 1.49 0.94 0.00 0.00 23 Q 7.88 4.37 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 24 Q 7.63 4.50 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 25 N 8.29 4.97 0.00 2.76 2.69 0.00 0.00 6.72 8.89 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 26 P 0.00 4.42 0.00 2.27 2.32 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 27 S 8.19 4.25 0.00 4.05 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 28 L 7.76 4.54 0.00 1.84 1.71 0.92 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.86 3.97 0.00 1.86 1.80 1.15 1.11 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 30 P 0.00 4.23 0.00 2.20 2.11 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 31 A 8.04 4.28 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 32 L 7.54 4.10 0.00 1.75 1.86 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.84 3.90 0.00 1.88 1.65 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.27 3.99 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 35 Q 7.52 4.14 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 36 I 8.13 3.82 1.99 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 1.50 0.52 1.02 0.00 0.00 37 G 8.11 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.95 4.66 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 39 E 7.99 4.69 0.00 2.02 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 2.35 2.32 0.00 40 N 8.69 5.02 0.00 2.68 2.72 0.00 0.00 6.82 7.67 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 41 P 0.00 4.38 0.00 2.29 2.44 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 42 Q 8.04 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 43 L 8.40 3.98 0.00 1.87 1.84 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.89 3.84 0.00 1.84 1.81 0.89 0.63 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 45 Q 7.92 3.95 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 46 Q 7.66 3.95 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 47 I 8.07 3.82 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.27 0.00 0.00 48 S 8.09 4.14 0.00 3.93 3.89 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 49 Q 7.83 4.20 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.39 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 50 H 7.93 5.14 0.00 3.23 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.37 4.17 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 52 E 8.13 3.97 0.00 2.05 1.81 0.00 0.00 0.00 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 2.39 0.00 53 H 8.03 4.58 0.00 3.44 3.32 0.00 5.95 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.47 4.26 0.00 3.18 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.73 2.04 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 1.60 0.97 0.92 0.00 0.00 56 Q 8.51 4.17 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 57 M 7.05 4.32 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 58 L 7.59 3.62 0.00 0.49 1.41 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.92 4.71 0.00 2.71 2.83 0.00 0.00 7.23 7.10 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 60 E 7.66 4.27 0.00 2.12 1.89 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 2.37 2.25 0.00 61 P 0.00 4.27 0.00 2.05 2.05 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 62 V 8.11 4.52 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 0.86 0.00 0.00 0.98 0.00 0.00 63 Q 8.25 4.61 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 64 E 8.51 4.30 0.00 2.04 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 2.41 2.31 0.00 65 A 8.95 4.18 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 66 G 7.92 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 0.00 0.00 0.00 0.00 67 G 8.18 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 4.52 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 7.45 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 69 G 8.22 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 70 G 6.99 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 0.00 0.00 0.00 71 G 8.44 5.05 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 72 G 7.70 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 0.00 0.00 0.00