NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4047 8.3049 120.3537 55.5680 34.8380 176.4011 2 T 4.5946 7.5192 114.2275 61.3198 67.7398 172.7881 3 H 5.3231 8.0185 116.3215 53.8260 31.5781 174.8013 4 L 4.6675 8.7974 124.0851 54.1492 43.5200 175.1863 5 K 4.9700 8.6854 119.0751 54.7930 34.4099 175.8018 6 I 4.6538 8.5430 126.4343 60.9441 37.8042 175.7044 7 T 4.3032 9.2765 114.6712 62.4923 71.0219 175.5342 8 G 3.7995 7.6487 111.2104 44.1599 0.0000 170.3438 9 M 3.2425 8.1023 121.8596 56.0485 30.5130 177.0609 10 T 4.3790 8.2109 113.3491 61.6969 70.6717 174.4863 11 C 4.1463 7.8499 117.3549 58.1253 30.0721 173.1954 12 D 4.1229 8.0730 120.1920 52.6699 38.5797 173.8237 13 S 4.5305 7.3525 122.7663 59.3028 70.0800 178.2738 14 C 3.7506 7.7807 117.4089 62.7036 28.3146 175.4372 15 A 4.4874 7.3386 122.3160 51.1412 17.5183 176.4460 16 A 4.7376 7.5120 126.8736 53.1583 26.3000 179.0770 17 H 4.2324 8.3108 115.5849 59.2111 29.7542 177.6495 18 V 3.6338 7.9673 120.5033 65.6980 31.3188 177.9114 19 K 3.9567 7.9230 118.9500 59.4305 32.1021 178.3498 20 E 3.9333 8.4672 118.8780 59.5607 29.2605 179.1579 21 A 4.0449 8.1514 119.5487 55.1427 18.6061 179.4696 22 L 4.0980 8.3747 117.7308 58.1921 41.6233 179.7137 23 E 4.0198 8.6022 116.7984 58.8345 29.4184 179.0702 24 K 4.2231 7.9400 117.5401 57.0570 32.4262 177.1288 25 V 3.9297 7.6201 121.4693 60.8957 32.0548 173.4458 26 P 4.3706 0.0000 0.0000 64.0643 31.7826 176.4204 27 G 4.0015 9.0582 109.4811 45.1752 0.0000 172.9190 28 V 4.3306 7.2280 119.8751 61.8820 32.5849 175.1051 29 Q 4.4337 8.9300 126.6824 57.9842 29.9600 176.6586 30 S 4.7109 7.8151 113.1331 57.4084 67.6541 173.5851 31 A 4.6932 9.3083 127.8789 50.4325 18.6816 176.1812 32 L 4.3234 8.8297 123.0485 54.4745 40.4705 175.6393 33 V 4.3411 7.7202 114.4674 60.6856 33.4755 175.8364 34 S 4.1564 9.0602 121.0121 56.7007 65.3080 174.7016 35 Y 4.3594 7.4413 123.9030 59.0167 38.0495 176.1640 36 P 4.6695 0.0000 0.0000 62.9321 31.1970 176.5876 37 K 4.3389 7.8313 116.8954 56.0132 35.0679 177.2416 38 G 3.8960 9.0584 106.7638 45.9701 0.0000 172.1775 39 T 4.9913 7.8146 108.4880 59.3585 72.0207 172.7700 40 A 4.8382 9.2345 126.7583 50.4940 21.0662 175.6206 41 Q 4.5628 8.9386 122.5209 55.7936 29.4354 175.0530 42 L 4.6752 8.3607 124.5428 53.5885 42.7235 177.8490 43 A 4.5840 9.3035 128.9585 50.4730 17.6973 175.8840 44 I 4.7339 7.6201 114.5378 58.5711 40.9749 176.1182 45 V 3.8363 8.8982 123.7313 61.8069 32.4242 173.7562 46 P 4.3758 0.0000 0.0000 63.9854 31.7383 175.0694 47 G 4.0305 9.0511 113.1349 46.5799 0.0000 174.3963 48 T 4.0405 7.6881 117.5305 62.7581 68.6456 174.7217 49 S 4.2576 8.6069 123.7590 57.8615 63.6510 173.7261 50 P 4.2723 0.0000 0.0000 65.7458 31.0475 178.3146 51 D 4.3362 8.1095 115.7950 56.7392 41.0702 177.9293 52 A 4.0177 7.9765 121.7531 54.9671 18.3579 179.5977 53 L 3.9547 7.8068 117.1078 58.1856 41.8172 179.5103 54 T 3.8500 8.1651 115.6252 66.6780 68.2988 176.5225 55 A 4.0503 8.2129 122.6682 54.9948 18.3853 179.5399 56 A 3.8604 8.2091 119.6225 55.3088 18.3032 180.0961 57 V 3.6411 8.2019 116.8323 65.9797 31.6089 178.1765 58 A 4.9885 7.9465 122.5743 54.7786 18.0784 179.7448 59 G 3.6896 8.6032 103.0061 46.9698 0.0000 175.1736 60 L 4.2460 7.5574 119.7055 55.5735 41.8669 177.7397 61 G 3.6847 7.9282 107.5296 44.8406 0.0000 172.7514 62 Y 4.7930 7.3591 117.6743 56.2219 41.4944 174.0458 63 K 4.9373 8.6203 119.6799 55.0376 35.2439 174.9315 64 A 5.2612 8.6542 127.2575 50.7668 23.0669 174.9210 65 T 4.5447 8.8235 114.8612 61.6411 73.0567 173.7513 66 L 4.3564 8.7402 127.7654 55.1564 41.9310 176.1985 67 A 4.3531 8.1319 129.3391 50.5907 20.1644 175.5846 68 D 4.6583 8.6443 119.1912 55.7842 41.5066 176.2180 69 A 4.1981 7.6183 126.2691 53.3361 19.3747 176.2550 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 M 8.30 4.40 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 T 7.52 4.59 4.41 0.00 0.00 0.00 0.00 0.00 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 3 H 8.02 5.32 0.00 3.22 3.25 0.00 5.54 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.80 4.67 0.00 1.74 1.88 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.69 4.97 0.00 1.68 1.73 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 6 I 8.54 4.65 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.94 0.00 0.00 7 T 9.28 4.30 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 8 G 7.65 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 0.00 0.00 0.00 9 M 8.10 3.24 0.00 2.22 2.45 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 10 T 8.21 4.38 4.27 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 1.23 0.00 0.00 11 C 7.85 4.15 0.00 3.08 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 12 D 8.07 4.12 0.00 1.79 2.28 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 13 S 7.35 4.53 0.00 3.80 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 14 C 7.78 3.75 0.00 2.68 1.79 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 15 A 7.34 4.49 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.74 1.23 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 0.00 0.00 0.00 17 H 8.31 4.23 0.00 3.42 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.97 3.63 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 1.06 0.00 0.00 0.75 0.00 0.00 19 K 7.92 3.96 0.00 1.88 1.96 0.00 1.81 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.81 7.81 20 E 8.47 3.93 0.00 2.30 2.05 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 2.35 2.35 0.00 21 A 8.15 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.10 0.00 2.02 1.74 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.60 4.02 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 2.35 2.36 0.00 24 K 7.94 4.22 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.67 7.81 25 V 7.62 3.93 2.26 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 1.07 0.00 0.00 1.04 0.00 0.00 26 P 0.00 4.37 0.00 2.22 2.05 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 27 G 9.06 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 28 V 7.23 4.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 29 Q 8.93 4.43 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.31 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 30 S 7.82 4.71 0.00 3.73 3.69 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 31 A 9.31 4.69 1.22 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 0.00 0.00 32 L 8.83 4.32 0.00 1.77 1.59 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.72 4.34 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 0.68 0.00 0.00 1.03 0.00 0.00 34 S 9.06 4.16 0.00 3.55 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.44 4.36 0.00 3.12 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 36 P 0.00 4.67 0.00 2.20 2.24 0.00 3.28 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 37 K 7.83 4.34 0.00 1.66 1.80 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.38 7.81 38 G 9.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.99 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 1.28 0.00 0.00 40 A 9.23 4.84 1.23 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 0.00 0.00 0.00 41 Q 8.94 4.56 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 42 L 8.36 4.68 0.00 1.72 1.62 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.30 4.58 1.23 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 0.00 0.00 0.00 44 I 7.62 4.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.92 0.00 0.00 45 V 8.90 3.84 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 0.88 0.00 0.00 1.02 0.00 0.00 46 P 0.00 4.38 0.00 2.08 2.01 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 2.04 2.11 0.00 47 G 9.05 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 0.00 0.00 0.00 48 T 7.69 4.04 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 1.22 0.00 0.00 49 S 8.61 4.26 0.00 3.88 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 50 P 0.00 4.27 0.00 2.15 2.10 0.00 3.60 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 2.11 2.15 0.00 51 D 8.11 4.34 0.00 2.79 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 52 A 7.98 4.02 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 53 L 7.81 3.95 0.00 1.86 1.73 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.17 3.85 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 1.26 0.00 0.00 55 A 8.21 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.86 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.64 2.28 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 1.10 0.00 0.00 1.02 0.00 0.00 58 A 7.95 4.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.60 3.69 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 0.00 0.00 0.00 60 L 7.56 4.25 0.00 1.96 1.96 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.93 3.68 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 0.00 0.00 0.00 62 Y 7.36 4.79 0.00 3.00 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 63 K 8.62 4.94 0.00 1.83 1.71 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 64 A 8.65 5.26 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.82 4.54 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 1.21 0.00 0.00 66 L 8.74 4.36 0.00 1.65 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.13 4.35 1.23 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 0.00 0.00 0.00 68 D 8.64 4.66 0.00 2.64 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 69 A 7.62 4.20 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