NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2401 8.1701 117.3740 63.1528 69.8794 173.5098 3 A 4.0685 8.3824 127.5876 51.6256 19.1711 175.1708 4 L 4.6171 8.4652 121.1466 52.8728 44.5051 175.2647 5 A 4.2407 8.2610 125.5444 51.0006 19.4087 177.1327 6 K 3.9200 8.4847 122.3963 55.9860 32.3683 175.3489 7 P 4.6083 0.0000 0.0000 61.2840 33.0355 174.7998 8 Q 4.1812 8.3662 119.6332 56.1395 29.2175 175.0721 9 M 4.6132 8.6396 123.0848 54.9692 34.1120 175.7471 10 R 4.5814 7.8815 117.1461 55.0665 32.7981 175.4276 11 G 4.0885 8.5472 106.3408 46.5444 0.0000 175.8897 12 L 3.9976 7.8852 120.3346 57.1649 41.8686 178.6156 13 L 3.9186 7.8495 119.7100 58.1824 42.1361 178.7521 14 A 4.0248 7.9491 120.2890 55.0014 18.4028 179.3999 15 R 3.8339 8.1930 117.4477 59.5966 30.1620 178.7675 16 R 4.0004 8.0670 118.5967 59.1869 29.9810 178.2392 17 L 3.9615 8.1426 120.1428 58.3325 42.2825 178.9400 18 R 3.9224 8.2231 118.2090 59.3296 30.1505 178.7357 19 F 4.0743 8.2011 119.9558 61.8715 39.4231 177.0036 20 H 4.1290 8.3670 115.6403 58.5369 28.4941 177.9240 21 I 3.7117 8.1150 122.3045 64.2472 36.9188 178.5896 22 V 3.6337 7.6635 118.7841 65.8177 31.2800 178.2713 23 G 3.4349 7.6517 104.7775 47.7843 0.0000 175.3397 24 A 3.9738 8.1163 123.6260 54.7578 18.3423 179.5499 25 F 4.0660 8.2331 118.9487 61.7037 39.4670 177.1106 26 M 3.9902 8.2049 118.3323 58.6064 31.7820 178.9393 27 V 3.5620 7.9875 118.2950 66.0323 31.5529 178.1384 28 S 4.1193 7.9471 114.8449 61.5735 62.6386 176.7102 29 L 3.9410 7.7186 121.6097 57.7237 41.3648 179.8329 30 G 3.6221 8.2380 105.8007 47.8085 0.0000 175.5318 31 F 4.2217 8.8022 123.4109 60.7455 39.3328 177.0083 32 A 3.9487 8.4801 120.8362 55.5791 18.0201 179.4976 33 T 3.8063 7.7676 112.7010 66.8412 68.8653 176.2221 34 F 4.2801 8.3133 122.1806 61.4579 39.4849 176.4049 35 Y 3.6625 8.2062 119.4552 60.3343 38.5046 178.5421 36 K 4.5726 8.1150 118.3860 55.7887 32.8037 177.2391 37 F 4.8237 8.3126 120.9367 59.6801 46.5136 175.5943 38 A 3.6750 7.7672 120.9878 53.1803 18.6807 177.2726 39 V 3.7993 6.7984 113.2058 63.4771 33.2955 176.8562 40 A 3.9057 7.2378 120.7988 55.2531 18.1427 179.0913 41 E 3.8275 7.8734 115.1998 59.1312 29.6617 179.2803 42 K 3.6209 7.2664 118.1537 59.6180 32.1377 178.5445 43 R 3.9348 7.8852 118.5518 59.5683 30.0121 178.6328 44 K 4.0568 8.0313 118.2353 59.1920 31.9103 179.3971 45 K 3.9360 8.4050 120.0128 59.3539 32.1628 178.5423 46 A 3.9327 8.2970 121.5052 55.6812 18.2706 179.3329 47 Y 3.7738 8.0660 114.3709 60.9593 37.8285 178.3621 48 A 4.1687 8.2698 121.7875 55.3796 18.3112 179.4611 49 D 4.3280 8.7469 116.9653 57.3064 40.9431 178.5401 50 F 4.0189 8.0660 120.0975 61.5220 39.5946 176.3741 51 Y 4.5242 7.9351 112.8372 58.8156 37.8889 177.3431 52 R 4.1938 7.7126 120.5881 58.8822 30.4564 177.9722 53 N 5.0409 7.8352 113.8805 52.8057 39.6363 173.8999 54 Y 4.0726 8.1333 119.1960 57.2461 39.7714 174.5729 55 D 4.5189 7.6906 125.9654 52.0655 42.9475 176.4370 56 S 3.8214 7.9273 123.6221 61.4824 63.1785 176.1673 57 M 4.1468 7.9422 121.8535 58.0389 31.8186 178.4153 58 K 3.9671 8.0241 119.5613 59.3438 32.3332 178.3257 59 D 4.3274 8.0669 118.3038 57.3538 41.1448 177.8932 60 F 4.2400 8.7009 121.5306 61.4222 39.3230 176.5285 61 E 3.7597 8.8700 119.1305 59.4198 29.4651 178.6558 62 E 3.9129 8.2224 118.4674 59.6870 29.3683 179.3262 63 M 3.9014 7.8606 118.7802 58.0824 31.8672 178.8323 64 R 3.8615 7.8730 119.1732 59.4386 30.0709 178.7291 65 K 3.8645 8.0166 117.0200 59.3076 32.0963 178.6477 66 A 4.1706 7.5553 118.9009 52.3918 18.4873 177.5901 67 G 3.7551 8.0053 105.6860 46.4988 0.0000 175.1931 68 I 3.8203 7.0208 115.4284 62.2941 38.2130 176.4610 69 F 4.8372 7.5056 118.9330 57.2755 39.5898 174.8863 70 Q 4.3578 8.9171 124.1558 57.2336 29.6123 176.4395 71 S 4.5112 8.1560 109.4143 57.9680 64.0114 173.6664 72 A 4.5517 7.8717 123.0299 50.6966 20.3577 175.9190 73 K 4.2497 8.7038 120.1475 57.4303 32.3501 177.1637 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 T 8.17 4.24 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 3 A 8.38 4.07 1.26 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 0.00 0.00 0.00 4 L 8.47 4.62 0.00 1.63 1.58 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.26 4.24 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 6 K 8.48 3.92 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.61 0.00 2.20 2.05 0.00 3.81 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 1.95 1.93 0.00 8 Q 8.37 4.18 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.64 4.61 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 10 R 7.88 4.58 0.00 1.77 1.82 0.00 3.35 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 11 G 8.55 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.89 4.00 0.00 1.70 1.72 0.92 0.52 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 13 L 7.85 3.92 0.00 1.76 1.66 0.93 0.98 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 14 A 7.95 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.83 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 R 8.07 4.00 0.00 2.04 2.16 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 17 L 8.14 3.96 0.00 1.84 1.86 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.22 3.92 0.00 2.06 2.03 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 19 F 8.20 4.07 0.00 3.08 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 20 H 8.37 4.13 0.00 3.35 3.35 0.00 5.87 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 21 I 8.12 3.71 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 0.90 0.00 0.00 22 V 7.66 3.63 2.19 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 0.90 0.00 0.00 0.85 0.00 0.00 23 G 7.65 3.43 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 0.00 24 A 8.12 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.07 0.00 3.16 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 26 M 8.20 3.99 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.06 0.00 27 V 7.99 3.56 2.20 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 1.02 0.00 0.00 0.98 0.00 0.00 28 S 7.95 4.12 0.00 3.89 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 29 L 7.72 3.94 0.00 1.70 1.59 0.36 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.24 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 4.22 0.00 3.07 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 32 A 8.48 3.95 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 33 T 7.77 3.81 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 1.18 0.00 0.00 34 F 8.31 4.28 0.00 3.15 3.16 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 35 Y 8.21 3.66 0.00 2.57 2.80 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 36 K 8.11 4.57 0.00 1.80 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.53 7.81 37 F 8.31 4.82 0.00 2.83 3.06 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 38 A 7.77 3.68 0.43 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 39 V 6.80 3.80 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 0.00 0.00 0.62 0.00 0.00 0.36 0.00 0.00 40 A 7.24 3.91 1.28 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 0.00 0.00 41 E 7.87 3.83 0.00 2.01 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 2.61 2.36 0.00 42 K 7.27 3.62 0.00 1.68 1.74 0.00 1.54 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.25 7.81 43 R 7.89 3.93 0.00 2.02 2.09 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 44 K 8.03 4.06 0.00 1.99 1.86 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.53 7.81 45 K 8.40 3.94 0.00 1.89 1.90 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.45 7.81 46 A 8.30 3.93 1.28 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 0.00 0.00 47 Y 8.07 3.77 0.00 3.13 3.18 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 48 A 8.27 4.17 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 49 D 8.75 4.33 0.00 2.85 2.75 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 50 F 8.07 4.02 0.00 2.83 2.80 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 51 Y 7.94 4.52 0.00 3.26 3.05 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 52 R 7.71 4.19 0.00 2.01 2.10 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 53 N 7.84 5.04 0.00 2.68 2.74 0.00 0.00 6.85 7.46 0.00 0.00 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 Y 8.13 4.07 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 55 D 7.69 4.52 0.00 2.63 2.30 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 56 S 7.93 3.82 0.00 4.17 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 0.00 57 M 7.94 4.15 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 58 K 8.02 3.97 0.00 1.95 1.86 0.00 1.59 0.00 0.00 1.50 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.42 7.81 59 D 8.07 4.33 0.00 2.92 2.94 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 0.00 0.00 0.00 60 F 8.70 4.24 0.00 3.19 3.37 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 61 E 8.87 3.76 0.00 2.36 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 2.34 2.42 0.00 62 E 8.22 3.91 0.00 2.20 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 2.31 2.71 0.00 63 M 7.86 3.90 0.00 1.55 2.21 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.46 0.00 64 R 7.87 3.86 0.00 1.32 1.83 0.00 3.39 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 65 K 8.02 3.86 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 66 A 7.56 4.17 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 67 G 8.01 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 68 I 7.02 3.82 1.55 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.72 0.00 0.00 69 F 7.51 4.84 0.00 3.36 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 70 Q 8.92 4.36 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 71 S 8.16 4.51 0.00 4.01 3.97 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 0.00 0.00 0.00 72 A 7.87 4.55 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 73 K 8.70 4.25 0.00 1.79 1.75 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81