NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.6884 8.1593 111.0830 61.6879 70.1753 172.7149 6 I 4.4482 9.0212 118.5267 58.2647 40.9280 172.5271 7 R 5.0680 9.1958 125.1523 54.6911 31.5993 176.8613 8 V 4.6819 8.8703 118.5166 59.7536 37.1129 174.2897 9 I 4.9211 8.5595 122.4212 59.7711 39.8753 174.9109 10 V 4.6927 8.6147 128.0380 61.3814 33.6077 174.7287 11 S 4.8305 8.8910 124.7307 57.9370 63.9836 173.7644 12 V 4.8051 8.4496 117.9276 59.4065 35.1417 175.0411 13 D 4.6755 8.8914 123.4341 52.8968 41.3187 177.4957 14 K 4.0263 8.9234 126.4204 59.0222 32.2859 178.3043 15 A 4.2323 8.5356 121.0563 53.6633 18.4459 177.9359 16 K 4.5579 8.2519 112.8657 55.6545 33.8508 175.7880 17 F 5.0574 7.9431 120.2798 55.9250 41.1955 174.3802 18 N 4.4751 7.2733 123.5645 50.2174 41.8824 173.3213 19 P 4.0292 0.0000 0.0000 66.4088 30.8265 178.0304 20 H 4.2449 9.3749 116.3582 58.0955 28.6642 177.3242 21 E 3.8556 8.2442 121.2964 59.0273 29.1776 179.3008 22 V 3.7270 7.7033 118.6860 65.7993 31.5129 177.6142 23 L 4.4217 7.0783 121.2498 57.5612 41.5918 179.0824 24 G 3.8135 7.5731 103.8689 47.1112 0.0000 174.0005 25 I 4.1695 7.5276 111.7908 60.5491 37.8461 176.3759 26 G 3.9127 8.7647 109.6039 45.4558 0.0000 173.3258 27 G 4.2324 7.7908 108.8287 43.7449 0.0000 171.6360 28 H 5.0748 8.5675 113.1345 53.8553 32.3155 172.8224 29 I 4.2064 8.4032 120.7514 61.5969 37.3343 175.5643 30 V 4.1698 8.9477 127.0198 64.6014 32.9246 175.7405 31 Y 4.4304 7.5388 119.8863 56.6738 42.1487 172.8128 32 Q 4.5642 7.9565 126.2579 54.2556 29.8407 175.6643 33 F 4.3272 8.4935 123.6460 57.6364 39.0237 176.3006 34 K 4.2022 9.0376 121.8817 58.1635 32.3685 177.7421 35 L 4.7261 8.0981 115.7779 54.1440 43.4164 175.9289 36 I 4.7054 7.4432 110.8141 58.1463 40.8964 174.0924 37 P 4.7347 0.0000 0.0000 61.4643 29.6657 174.4047 38 A 5.0684 7.6599 126.6666 51.7543 23.3940 175.5768 39 V 4.8449 8.7916 119.1033 61.1978 35.6809 174.3804 40 V 4.6021 9.2427 127.8065 62.2128 32.9301 175.1515 41 V 4.9419 9.0333 120.2075 59.9334 36.1565 173.6395 42 D 5.3309 8.7795 123.1143 52.9553 43.1044 176.0917 43 V 4.5465 8.8440 115.4265 58.8819 36.7952 173.2953 44 P 4.5758 0.0000 0.0000 62.2647 32.2130 177.6755 45 A 3.9972 8.7584 124.5032 55.3214 18.3872 178.7408 46 N 4.6141 8.1845 110.3379 53.2448 37.7610 175.7959 47 A 4.6070 8.0231 120.0644 52.3147 19.7469 179.1768 48 V 3.6227 7.4465 117.9899 65.9361 31.6061 178.3008 49 G 3.6525 8.0656 105.0354 47.6386 0.0000 175.6732 50 K 4.0038 7.9435 119.4759 59.2054 32.3733 178.7957 51 L 4.1556 7.8275 119.0636 57.9232 41.3583 179.7327 52 K 3.9209 7.6552 116.4981 59.3848 32.0827 179.0682 53 K 4.0950 7.9781 118.5056 57.9739 32.5556 176.9092 54 M 4.2969 7.8788 120.7033 54.5363 32.4011 175.7786 55 P 4.3751 0.0000 0.0000 65.3335 31.9306 177.7757 56 S 4.3471 8.1098 112.5278 60.3172 64.4343 174.0836 57 V 4.1987 7.5751 121.4412 62.2467 30.9146 175.5379 58 E 4.3611 8.8818 128.6307 58.2613 30.5380 177.0515 59 K 4.5198 7.6744 118.7434 55.0656 35.8908 174.4969 60 V 4.5637 8.3324 126.2329 61.0805 33.7337 174.2767 61 E 4.6691 8.6221 126.7914 54.2160 32.8996 175.8875 62 F 4.3743 8.4739 121.5522 57.4248 40.2670 174.7284 63 D 4.6087 8.6605 121.0496 53.7900 41.1624 175.8736 64 H 4.7856 8.6606 123.4419 54.9049 30.2998 174.3227 65 Q 4.5850 8.4694 120.9491 54.2910 30.7187 174.3577 66 A 4.8809 8.3982 126.8412 50.4343 21.7714 175.8347 67 V 4.5787 7.8459 112.1003 58.7225 35.4817 176.0254 68 L 4.1262 8.4275 122.1257 56.1433 40.8401 177.2381 69 L 4.3120 8.3105 119.0170 55.0398 41.9956 176.4638 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 5 T 8.16 4.69 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 1.24 0.00 0.00 6 I 9.02 4.45 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.97 0.00 0.00 7 R 9.20 5.07 0.00 1.92 1.89 0.00 3.01 0.00 0.00 3.20 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 8 V 8.87 4.68 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 0.51 0.00 0.00 0.86 0.00 0.00 9 I 8.56 4.92 1.86 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 1.21 0.95 0.99 0.00 0.00 10 V 8.61 4.69 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 0.98 0.00 0.00 0.88 0.00 0.00 11 S 8.89 4.83 0.00 3.74 3.70 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 12 V 8.45 4.81 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 -0.05 0.00 0.00 0.66 0.00 0.00 13 D 8.89 4.68 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 4.03 0.00 1.82 1.92 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.46 7.81 15 A 8.54 4.23 1.31 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 0.00 0.00 16 K 8.25 4.56 0.00 1.73 1.84 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 17 F 7.94 5.06 0.00 2.95 2.93 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 18 N 7.27 4.48 0.00 2.54 2.36 0.00 0.00 6.79 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.03 0.00 2.18 2.47 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 20 H 9.37 4.24 0.00 3.14 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.24 3.86 0.00 1.89 1.96 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 2.24 2.24 0.00 22 V 7.70 3.73 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 1.04 0.00 0.00 1.08 0.00 0.00 23 L 7.08 4.42 0.00 1.83 1.67 0.93 0.94 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 24 G 7.57 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 0.00 0.00 0.00 25 I 7.53 4.17 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 1.37 0.74 0.92 0.00 0.00 26 G 8.76 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 0.00 0.00 0.00 27 G 7.79 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 0.00 0.00 0.00 0.00 28 H 8.57 5.07 0.00 3.14 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.40 4.21 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.92 0.00 0.00 30 V 8.95 4.17 2.23 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 0.75 0.00 0.00 0.94 0.00 0.00 31 Y 7.54 4.43 0.00 2.93 2.46 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 0.00 0.00 0.00 0.00 32 Q 7.96 4.56 0.00 1.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 33 F 8.49 4.33 0.00 3.24 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 34 K 9.04 4.20 0.00 1.83 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 35 L 8.10 4.73 0.00 1.67 1.70 0.97 0.78 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 36 I 7.44 4.71 1.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.82 0.00 0.00 37 P 0.00 4.73 0.00 2.31 2.24 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 38 A 7.66 5.07 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 39 V 8.79 4.84 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 1.15 0.00 0.00 0.75 0.00 0.00 40 V 9.24 4.60 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 0.92 0.00 0.00 1.05 0.00 0.00 41 V 9.03 4.94 2.16 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 0.73 0.00 0.00 0.99 0.00 0.00 42 D 8.78 5.33 0.00 2.16 2.43 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 43 V 8.84 4.55 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 0.75 0.00 0.00 0.93 0.00 0.00 44 P 0.00 4.58 0.00 2.19 1.98 0.00 3.62 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 2.12 2.10 0.00 45 A 8.76 4.00 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 46 N 8.18 4.61 0.00 2.84 2.94 0.00 0.00 5.84 7.26 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 47 A 8.02 4.61 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 48 V 7.45 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.05 0.00 0.00 49 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.94 4.00 0.00 1.88 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 51 L 7.83 4.16 0.00 1.92 1.71 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.66 3.92 0.00 1.99 1.87 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.57 7.81 53 K 7.98 4.10 0.00 1.94 2.07 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.49 7.81 54 M 7.88 4.30 0.00 2.15 2.14 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 2.95 2.53 0.00 55 P 0.00 4.38 0.00 2.06 2.13 0.00 3.70 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 2.08 0.00 56 S 8.11 4.35 0.00 4.15 4.35 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 57 V 7.58 4.20 2.32 0.00 0.00 0.00 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 1.02 0.00 0.00 58 E 8.88 4.36 0.00 1.87 1.96 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 2.30 2.23 0.00 59 K 7.67 4.52 0.00 1.75 1.53 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 60 V 8.33 4.56 1.93 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 0.64 0.00 0.00 0.86 0.00 0.00 61 E 8.62 4.67 0.00 1.87 1.76 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 2.17 2.18 0.00 62 F 8.47 4.37 0.00 2.87 2.93 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 63 D 8.66 4.61 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.66 4.79 0.00 3.24 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.47 4.58 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 66 A 8.40 4.88 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 67 V 7.85 4.58 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 0.80 0.00 0.00 0.93 0.00 0.00 68 L 8.43 4.13 0.00 1.73 1.68 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.31 4.31 0.00 1.62 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00