NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9588 8.3549 109.7368 45.4822 0.0000 172.5559 2 S 4.5698 7.8297 119.9651 56.8542 67.4802 171.6011 3 S 4.6542 8.4988 114.1719 58.5344 68.1036 173.6614 4 G 4.1768 7.5258 105.1471 45.2947 0.0000 173.7990 5 S 4.5916 8.2756 117.4352 56.7543 64.3482 172.5496 6 S 4.6530 8.4004 116.9686 59.4895 69.8863 174.8457 7 G 4.1780 8.6937 107.1217 45.7663 0.0000 172.2567 8 T 4.4814 7.9174 116.7615 64.3714 73.6710 174.0954 9 S 3.5926 7.8984 117.9377 57.6803 59.7985 170.5540 10 S 4.5072 7.8421 115.1715 56.4865 65.1580 174.6237 11 N 4.2084 8.9216 120.8101 53.4690 38.6905 173.6427 12 P 4.3169 0.0000 0.0000 64.4936 31.9647 177.1639 13 V 3.3351 7.8328 116.2388 61.1256 30.3465 173.2232 14 L 4.1568 7.9003 118.6009 56.2803 44.9738 173.6565 15 E 3.9978 9.4220 125.4697 56.1350 29.8230 173.8539 16 L 4.3344 7.8274 121.6085 53.8451 44.0319 171.8554 17 E 3.7647 8.8602 131.2086 55.6975 29.9855 174.7245 18 L 4.3147 7.7672 120.3983 55.5614 46.9602 173.2474 19 A 4.4912 8.5696 119.3954 52.8813 18.8299 178.7975 20 E 4.4557 7.8478 121.9867 55.2887 30.8585 173.9875 21 E 4.5519 8.4694 121.3656 55.3612 30.5216 177.5164 22 K 4.0384 7.7657 120.2046 57.8871 32.3108 174.9382 23 L 3.6167 8.4598 121.0191 53.5161 41.0790 173.1390 24 P 4.5247 0.0000 0.0000 62.0936 32.9206 174.2205 25 M 3.2012 8.5764 119.4871 56.5999 31.4740 176.2435 26 T 4.1982 8.5597 116.6533 62.4988 70.0697 175.1185 27 L 4.6105 7.8288 121.7845 52.7492 43.2212 177.0339 28 S 4.3857 8.4816 120.2041 57.2921 64.9570 175.2383 29 R 3.9007 8.4734 119.8706 60.0466 28.7291 178.2791 30 Q 3.9615 8.1024 120.3320 58.5850 28.9058 177.8849 31 E 3.8363 8.1234 118.1885 58.7748 29.9219 178.0096 32 V 4.0116 8.2400 118.3190 64.9191 31.7190 178.0624 33 I 3.7169 8.5455 120.9878 64.3676 36.9062 177.6511 34 R 4.2012 8.6753 119.7401 60.3234 29.7126 178.2210 35 R 3.8985 8.0108 116.5828 59.1214 30.2281 178.6693 36 L 3.9259 7.9787 118.3954 58.4345 41.6921 179.7588 37 R 3.9217 8.9734 118.5853 59.6000 29.8822 178.9061 38 E 3.7734 8.3681 117.8823 58.8989 29.6019 178.9023 39 R 4.3359 8.2109 117.0696 55.9924 30.6082 177.4779 40 G 3.9217 8.5544 107.1499 45.4062 0.0000 173.5775 41 E 4.2381 8.3932 119.1899 54.6470 30.3691 174.7945 42 P 4.4587 0.0000 0.0000 62.2095 31.6696 177.4316 43 I 3.6094 8.3820 117.8044 63.2361 37.5763 176.2069 44 R 4.3515 7.3642 120.6908 55.0875 31.9846 174.6290 45 L 4.3758 8.1279 127.3293 54.3654 43.5076 177.2958 46 F 4.5788 8.4032 120.4016 55.5984 37.9588 175.8371 47 G 4.0605 7.5832 113.3297 46.7290 0.0000 170.8375 48 E 4.7407 7.8513 116.1168 54.3112 33.5255 175.6223 49 T 4.7433 7.8957 112.8917 59.4662 72.0467 173.8636 50 D 4.4544 8.7168 121.3461 58.0072 40.2521 178.4028 51 Y 4.4793 8.1731 119.1361 60.6382 38.9061 176.9280 52 D 4.4239 8.4471 118.0322 57.6308 41.2552 178.4306 53 A 3.9726 8.7645 121.1586 55.2950 18.3131 178.9899 54 F 4.1630 8.9029 119.8369 61.6757 39.4379 176.9827 55 Q 3.2981 8.9556 117.9158 58.9191 28.5535 178.9198 56 R 3.7506 8.1684 119.5847 59.6820 29.9825 178.0657 57 L 3.8334 7.9976 119.3926 58.3091 42.0382 178.8160 58 R 3.8423 8.1521 118.2730 59.1405 29.9508 177.4066 59 K 4.1135 7.7553 118.6650 58.4287 32.4572 178.5348 60 I 3.6595 7.6282 120.2177 64.5042 36.9414 178.1037 61 E 4.0063 8.7294 119.5117 59.4137 28.9277 179.6623 62 I 3.7614 7.3874 118.7289 64.5659 37.5305 177.5063 63 L 4.2291 7.7560 118.5382 56.6881 42.1124 178.3673 64 T 4.4555 8.1626 124.4255 61.0731 68.9149 172.6892 65 P 4.5294 0.0000 0.0000 64.7582 31.9410 178.0956 66 E 4.6125 8.0678 115.7255 56.5681 31.6343 173.8541 67 V 3.0944 8.0621 113.5083 63.4692 29.3101 171.4451 68 N 4.6527 8.0265 118.8208 51.4484 39.8714 173.3381 69 K 3.8133 8.4255 122.5977 56.3930 33.0221 175.9614 70 G 4.0457 7.9761 110.0203 44.3610 0.0000 172.3651 71 S 4.5523 8.0944 120.1359 56.2549 63.7042 174.7390 72 G 3.8360 8.6109 114.9719 44.9491 0.0000 170.6340 73 P 4.5399 0.0000 0.0000 62.0772 32.3363 177.3680 74 S 4.3317 8.1885 114.3650 57.3833 61.6116 171.4467 75 S 3.8514 8.1657 126.7719 57.9300 63.2510 171.3722 76 G 3.7513 8.5055 112.1767 45.8938 0.0000 173.6145 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 3.96 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 2 S 7.83 4.57 0.00 3.89 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 3 S 8.50 4.65 0.00 3.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.59 0.00 3.81 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 6 S 8.40 4.65 0.00 3.78 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 7 G 8.69 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.48 4.25 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 1.21 0.00 0.00 9 S 7.90 3.59 0.00 3.98 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 10 S 7.84 4.51 0.00 3.80 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 11 N 8.92 4.21 0.00 2.75 2.80 0.00 0.00 6.97 8.02 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 12 P 0.00 4.32 0.00 2.19 2.19 0.00 3.92 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 1.97 0.00 13 V 7.83 3.34 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 0.73 0.00 0.00 0.93 0.00 0.00 14 L 7.90 4.16 0.00 1.82 1.55 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.42 4.00 0.00 2.14 1.98 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 2.17 2.38 0.00 16 L 7.83 4.33 0.00 1.61 1.55 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.86 3.76 0.00 2.10 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 2.37 0.00 18 L 7.77 4.31 0.00 1.58 1.57 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.57 4.49 1.25 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 0.00 0.00 20 E 7.85 4.46 0.00 1.86 1.84 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 2.18 2.33 0.00 21 E 8.47 4.55 0.00 2.03 1.95 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 2.14 2.24 0.00 22 K 7.77 4.04 0.00 1.75 1.84 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 23 L 8.46 3.62 0.00 1.86 1.68 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.52 0.00 2.18 2.14 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 25 M 8.58 3.20 0.00 1.69 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.24 0.00 26 T 8.56 4.20 4.30 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 1.30 0.00 0.00 27 L 7.83 4.61 0.00 1.86 1.73 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.48 4.39 0.00 3.86 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 29 R 8.47 3.90 0.00 2.09 2.26 0.00 3.04 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 30 Q 8.10 3.96 0.00 2.15 2.15 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 2.44 2.43 0.00 31 E 8.12 3.84 0.00 2.00 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 2.33 2.47 0.00 32 V 8.24 4.01 2.38 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 1.18 0.00 0.00 1.19 0.00 0.00 33 I 8.55 3.72 2.03 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 1.43 0.82 0.93 0.00 0.00 34 R 8.68 4.20 0.00 2.06 1.94 0.00 3.16 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 35 R 8.01 3.90 0.00 1.90 2.02 0.00 3.49 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.74 0.00 36 L 7.98 3.93 0.00 1.90 1.77 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.97 3.92 0.00 2.08 1.97 0.00 3.15 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 38 E 8.37 3.77 0.00 2.03 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 2.35 2.36 0.00 39 R 8.21 4.34 0.00 1.83 1.97 0.00 3.34 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 40 G 8.55 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 41 E 8.39 4.24 0.00 1.99 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 2.34 2.38 0.00 42 P 0.00 4.46 0.00 2.24 2.22 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 43 I 8.38 3.61 1.89 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 1.32 0.61 0.93 0.00 0.00 44 R 7.36 4.35 0.00 1.88 1.85 0.00 3.33 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 45 L 8.13 4.38 0.00 1.87 1.71 1.01 0.86 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 46 F 8.40 4.58 0.00 2.87 3.01 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 0.00 0.00 0.00 47 G 7.58 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 48 E 7.85 4.74 0.00 2.02 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 2.36 2.27 0.00 49 T 7.90 4.74 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 1.39 0.00 0.00 50 D 8.72 4.45 0.00 2.79 2.78 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 51 Y 8.17 4.48 0.00 3.04 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 52 D 8.45 4.42 0.00 2.87 2.72 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 53 A 8.76 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.90 4.16 0.00 3.04 3.22 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 55 Q 8.96 3.30 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.33 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 56 R 8.17 3.75 0.00 1.97 2.03 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 57 L 8.00 3.83 0.00 1.70 1.73 0.91 0.79 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 58 R 8.15 3.84 0.00 0.99 1.50 0.00 3.29 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.00 59 K 7.76 4.11 0.00 1.93 1.72 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 60 I 7.63 3.66 1.95 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 1.49 0.71 0.89 0.00 0.00 61 E 8.73 4.01 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 62 I 7.39 3.76 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.60 0.88 0.00 0.00 63 L 7.76 4.23 0.00 1.60 1.68 0.93 0.65 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 64 T 8.16 4.46 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 65 P 0.00 4.53 0.00 2.17 2.28 0.00 3.40 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 66 E 8.07 4.61 0.00 1.92 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 2.19 2.25 0.00 67 V 8.06 3.09 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 0.72 0.00 0.00 0.93 0.00 0.00 68 N 8.03 4.65 0.00 2.65 2.66 0.00 0.00 7.24 6.68 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 69 K 8.43 3.81 0.00 1.89 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 70 G 7.98 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 71 S 8.09 4.55 0.00 3.86 3.81 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 0.00 0.00 0.00 72 G 8.61 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 0.00 0.00 0.00 73 P 0.00 4.54 0.00 2.18 2.08 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 74 S 8.19 4.33 0.00 3.99 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 75 S 8.17 3.85 0.00 4.01 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 76 G 8.51 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 0.00 0.00 0.00