NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5713 8.3644 120.3164 53.3664 40.6262 174.9075 6 S 4.5345 7.5857 112.7732 56.5586 64.4581 172.2728 7 G 3.7795 9.5073 117.1407 47.1576 0.0000 172.8212 8 L 4.8673 7.6175 119.2122 52.2136 42.1292 175.6675 9 P 4.2470 0.0000 0.0000 65.8911 31.6516 178.8726 10 S 4.0716 7.9848 114.5168 61.4867 62.8449 176.5827 11 V 3.5803 7.7026 120.3613 65.9789 31.3424 177.7929 12 R 4.2581 8.1962 120.1007 59.1324 29.9502 178.5276 13 Q 3.9927 8.5663 118.2871 58.9276 28.6203 178.9579 14 V 3.6179 7.9118 119.3977 65.8581 31.4097 177.8625 15 Q 4.0167 8.5094 118.3779 59.2072 28.5127 179.2855 16 L 4.0182 8.1141 119.6945 57.8079 41.6895 179.4258 17 L 3.9859 8.0120 118.8974 57.8423 41.4864 179.8125 18 I 4.1620 7.8679 120.9776 63.9657 36.9105 178.6305 19 K 3.9994 7.9751 117.9186 59.5998 32.0280 178.7830 20 D 4.4778 8.3881 117.1840 54.3673 41.2540 176.2436 21 Q 3.5033 7.7237 116.9716 56.9948 26.8035 174.0789 22 T 4.1239 7.7357 114.2510 62.8500 69.3261 173.7746 23 P 4.6262 0.0000 0.0000 62.8785 32.6862 175.8207 24 V 5.0013 9.0803 116.6773 59.5922 36.4296 173.8233 25 E 4.4846 9.2230 123.8398 54.6637 31.6707 174.6976 26 I 4.4589 8.1561 128.4408 59.3498 39.2030 174.6204 27 K 4.0301 7.9636 130.2412 55.6428 32.9634 176.4651 28 L 4.8022 8.5640 127.9685 53.5611 43.5975 177.4959 29 L 4.2995 8.7647 120.2988 56.6225 41.3296 178.7701 30 T 3.9151 7.9269 108.8313 62.8797 69.1046 175.5307 31 G 3.9371 8.3568 111.2040 44.9765 0.0000 173.1808 32 D 4.8734 7.6709 119.1188 53.4188 43.0106 175.6538 33 S 5.0582 8.4822 115.3526 56.8144 66.2414 173.5023 34 L 4.8523 8.2527 121.6915 53.1841 45.0054 175.5850 35 F 5.0260 8.7323 118.4190 55.4539 42.8163 175.4123 36 G 3.9869 7.6667 109.9134 46.3237 0.0000 171.0090 37 T 4.8908 7.5585 109.8229 59.9356 72.2209 173.5094 38 I 4.4830 8.0839 123.9392 60.6865 38.2106 176.5713 39 R 4.3633 8.9552 127.0581 58.0497 31.1841 176.6502 40 W 5.2057 7.2374 113.3559 55.8404 31.1922 173.7663 41 Q 5.1594 8.8902 117.9064 54.9769 30.0512 174.2507 42 D 4.7090 9.1500 118.0505 52.9875 41.7318 175.5228 43 T 3.9917 8.6527 107.4205 63.8816 69.4713 174.6172 44 D 4.7800 7.8999 121.2446 55.0648 42.7710 175.5129 45 G 4.4500 8.3556 104.9967 45.6637 0.0000 171.8659 46 L 4.6026 8.6709 119.1856 53.5809 44.5778 175.5828 47 G 3.1537 6.3950 107.1575 44.0288 0.0000 172.3464 48 L 5.1321 8.5759 127.5868 53.1329 45.2726 175.0779 49 V 4.8991 8.7933 125.0687 61.2493 34.7529 174.3389 50 D 5.2535 8.2863 125.9971 51.5176 42.2855 176.4096 51 D 4.4372 8.8969 117.0850 56.6637 40.8031 177.1804 52 S 4.4768 8.2065 111.9572 57.4720 62.5523 173.2395 53 E 3.7804 8.5058 118.2307 57.2384 28.5017 173.6039 54 R 4.2091 7.9984 117.5332 55.3784 30.8432 175.2428 55 S 5.0445 8.4839 121.4067 58.4004 64.2426 173.7623 56 T 4.6854 8.8601 119.6557 61.9653 72.8951 172.8968 57 I 4.6070 8.4855 126.5476 60.1312 38.4578 175.0500 58 V 4.3188 8.5609 128.1968 60.9649 33.8936 175.1564 59 R 4.5789 8.4187 126.7159 55.5944 31.0891 177.6727 60 L 3.9481 8.9411 123.2728 57.7456 41.7904 179.2610 61 A 4.0155 7.9875 119.5183 54.0762 18.5769 177.5391 62 A 4.3772 7.9429 118.0255 52.2204 19.4797 176.7610 63 I 4.3012 7.4770 117.6754 60.2279 38.2960 175.6888 64 A 4.3890 8.8405 128.7324 54.4847 18.9332 176.8608 65 Y 4.8650 7.0684 111.0076 56.2385 41.5656 173.0515 66 I 5.0694 8.4450 120.4027 59.8917 40.1633 175.0070 67 T 4.7716 8.9970 121.0661 59.3315 71.1919 171.2198 68 P 4.7644 0.0000 0.0000 63.1671 31.3840 176.6729 69 R 4.2538 9.0632 124.7377 58.3796 30.8690 176.6322 70 R 4.2406 7.7026 121.7801 56.4070 31.2241 174.6624 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 D 8.36 4.57 0.00 2.80 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 6 S 7.59 4.53 0.00 3.91 3.78 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 7 G 9.51 3.78 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 0.00 0.00 0.00 8 L 7.62 4.87 0.00 1.70 1.58 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.25 0.00 2.26 2.31 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 10 S 7.98 4.07 0.00 3.89 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 11 V 7.70 3.58 2.24 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 1.07 0.00 0.00 0.95 0.00 0.00 12 R 8.20 4.26 0.00 1.95 2.01 0.00 3.25 0.00 0.00 3.48 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 13 Q 8.57 3.99 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 14 V 7.91 3.62 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 1.13 0.00 0.00 0.96 0.00 0.00 15 Q 8.51 4.02 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 16 L 8.11 4.02 0.00 1.86 1.72 0.93 0.48 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 17 L 8.01 3.99 0.00 1.87 1.71 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.87 4.16 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.39 0.98 0.00 0.00 19 K 7.98 4.00 0.00 1.85 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.70 7.81 20 D 8.39 4.48 0.00 2.75 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 21 Q 7.72 3.50 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 22 T 7.74 4.12 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 1.22 0.00 0.00 23 P 0.00 4.63 0.00 2.10 2.01 0.00 3.55 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 24 V 9.08 5.00 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 0.70 0.00 0.00 0.90 0.00 0.00 25 E 9.22 4.48 0.00 2.02 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 1.88 1.47 0.00 26 I 8.16 4.46 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.48 0.74 0.00 0.00 27 K 7.96 4.03 0.00 0.87 0.74 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.04 1.11 7.81 28 L 8.56 4.80 0.00 1.64 1.48 0.84 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.76 4.30 0.00 1.46 1.69 0.96 0.75 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 30 T 7.93 3.92 4.22 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 1.19 0.00 0.00 31 G 8.36 3.94 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 0.00 0.00 0.00 32 D 7.67 4.87 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 5.06 0.00 3.59 2.98 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 34 L 8.25 4.85 0.00 1.37 1.45 0.83 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.73 5.03 0.00 2.83 2.89 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 36 G 7.67 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.56 4.89 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 1.25 0.00 0.00 38 I 8.08 4.48 1.81 0.00 0.00 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 1.21 1.05 0.76 0.00 0.00 39 R 8.96 4.36 0.00 1.66 2.13 0.00 3.25 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 40 W 7.24 5.21 0.00 3.34 3.11 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 0.00 0.00 0.00 0.00 41 Q 8.89 5.16 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 42 D 9.15 4.71 0.00 2.89 2.89 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 43 T 8.65 3.99 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 1.23 0.00 0.00 44 D 7.90 4.78 0.00 2.85 2.77 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 45 G 8.36 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.67 4.60 0.00 1.46 1.50 0.66 0.92 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 47 G 6.39 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 5.13 0.00 1.55 1.37 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.79 4.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 50 D 8.29 5.25 0.00 2.90 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 D 8.90 4.44 0.00 2.69 2.77 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 52 S 8.21 4.48 0.00 3.81 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 53 E 8.51 3.78 0.00 2.13 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 0.00 2.21 2.24 0.00 54 R 8.00 4.21 0.00 1.89 2.13 0.00 3.23 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 55 S 8.48 5.04 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.86 4.69 4.19 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 0.00 0.00 0.00 1.17 0.00 0.00 57 I 8.49 4.61 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 1.14 0.00 0.00 58 V 8.56 4.32 1.92 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 0.95 0.00 0.00 0.80 0.00 0.00 59 R 8.42 4.58 0.00 1.87 1.83 0.00 3.39 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 60 L 8.94 3.95 0.00 1.68 1.71 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.99 4.02 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 62 A 7.94 4.38 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.48 4.30 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.89 0.00 0.00 64 A 8.84 4.39 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 65 Y 7.07 4.86 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 5.07 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.89 0.00 0.00 67 T 9.00 4.77 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 1.39 0.00 0.00 68 P 0.00 4.76 0.00 1.99 2.00 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 69 R 9.06 4.25 0.00 1.91 2.02 0.00 3.64 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 70 R 7.70 4.24 0.00 1.79 1.75 0.00 3.46 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00