NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2860 8.5298 118.1440 55.6788 33.2419 173.6662 2 V 4.3609 8.0901 116.2861 59.8853 34.9183 168.6306 3 V 4.8309 9.2739 124.6394 61.0217 34.5696 175.4737 4 L 4.7573 8.8329 127.4100 52.7903 44.3635 175.0791 5 K 4.9229 8.7626 125.2904 54.5643 34.4386 175.0013 6 V 4.3762 8.8715 128.0005 61.5788 33.6182 174.1905 7 T 5.2465 8.5984 125.2098 62.0472 69.8304 173.8981 8 L 4.3620 8.2439 125.2620 53.9052 44.3723 174.7001 9 L 3.7612 7.3498 122.1822 54.5214 42.2255 176.4578 10 E 3.9920 8.4907 123.6212 56.8879 30.5470 177.1304 11 G 3.9346 8.9704 107.3488 45.7340 0.0000 174.9376 12 R 4.0068 7.7125 119.3355 55.2277 30.9950 175.4065 13 P 4.4128 0.0000 0.0000 61.8295 33.3829 175.7679 14 P 4.2393 0.0000 0.0000 66.0755 31.2438 178.6999 15 E 3.9344 8.0880 117.4578 58.9752 29.5820 178.6165 16 K 3.9525 7.9526 119.3996 59.3424 32.2940 178.8801 17 K 3.9860 8.0034 118.8800 59.3822 32.0060 179.6054 18 R 3.9396 8.2099 116.5592 59.2352 29.3017 178.8348 19 E 3.9712 8.2201 119.4005 58.9386 29.3833 178.8776 20 L 3.9158 8.0654 120.5025 58.2397 42.1855 179.2094 21 V 3.5521 7.9639 118.1661 65.9693 31.3821 178.1583 22 R 3.9547 8.0831 117.6617 59.4193 30.0030 179.1805 23 R 3.9491 8.2338 117.9880 59.4082 30.0271 179.1977 24 L 4.0227 8.1581 118.8190 57.9963 41.5913 179.8191 25 T 3.6916 7.9491 115.6809 66.5048 68.3019 176.4895 26 E 4.1938 8.4006 121.3575 59.5221 29.6313 178.5264 27 M 4.0082 8.1823 118.0559 58.5730 32.3283 178.0607 28 A 3.9704 8.2035 121.1211 55.2286 18.4299 179.5430 29 S 4.1495 8.1404 111.7014 61.3828 62.2183 176.4604 30 R 3.8929 7.9491 120.6030 59.6411 30.0692 178.3462 31 L 4.1951 8.1813 117.3233 56.5600 41.7683 178.2782 32 L 4.6157 7.8091 116.4931 53.1507 42.6645 176.3712 33 G 3.9028 7.8122 106.9182 46.6785 0.0000 173.4004 34 E 4.6238 7.8837 118.0433 53.1625 31.6429 174.1832 35 P 4.5166 0.0000 0.0000 63.0869 32.0061 176.4950 36 Y 4.0357 9.0387 123.9992 60.9443 38.7341 178.1606 37 E 4.1273 8.2984 117.1467 58.5869 29.7504 177.2935 38 E 4.2676 8.0666 117.0515 56.7949 30.1160 176.4441 39 V 3.9843 7.1977 120.3747 62.6325 32.1365 175.4337 40 R 4.7564 8.6577 126.5157 54.3706 33.3562 175.0333 41 V 4.8475 8.2337 121.1088 61.1352 34.6581 174.2651 42 I 4.5721 8.8751 127.5079 59.1449 41.2267 173.8666 43 L 4.8563 8.6101 128.9010 53.6367 43.2180 175.9594 44 Y 4.6961 9.2056 128.0311 56.4643 38.7804 172.9125 45 E 4.6414 8.5306 124.5841 55.1184 30.6513 175.8866 46 V 3.9938 8.0865 125.6300 61.4868 33.4670 175.7856 47 R 4.5468 8.5434 125.7478 55.5071 31.0107 178.1640 48 R 3.9739 8.7610 120.4841 59.2111 30.3264 177.8914 49 D 4.9296 7.9709 114.7591 52.6663 39.4494 176.5055 50 Q 4.5474 8.2654 115.3641 55.3473 30.6014 174.7896 51 W 4.6932 8.2911 128.5695 55.3977 32.4951 173.7681 52 A 5.5592 8.5350 127.0317 49.2750 21.7586 174.7081 53 A 4.4925 7.9545 122.1674 51.5406 22.1954 176.6886 54 G 3.6440 9.5632 109.4717 46.6951 0.0000 174.8521 55 G 3.8911 8.5151 105.5438 45.0933 0.0000 174.2051 56 V 4.4023 7.5151 119.7732 60.2107 34.0569 174.8563 57 L 4.6599 8.3721 127.0306 54.4531 43.4414 177.9170 58 F 4.1072 9.5166 125.8670 61.5893 39.1924 177.8153 59 S 4.4645 8.3063 113.8006 61.4544 62.4574 176.3540 60 D 4.3126 7.8338 121.2550 56.7638 40.8791 178.0671 61 K 3.9371 7.7864 118.9979 59.6735 32.3191 178.2101 62 E 3.9653 8.0514 118.7324 58.1536 29.5900 176.6524 63 G 3.6835 7.9717 111.6821 45.5550 0.0000 172.0483 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 8.53 5.29 0.00 2.03 2.38 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 2 V 8.09 4.36 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 0.63 0.00 0.00 0.92 0.00 0.00 3 V 9.27 4.83 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 0.83 0.00 0.00 0.91 0.00 0.00 4 L 8.83 4.76 0.00 1.58 1.53 0.89 0.76 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 5 K 8.76 4.92 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.44 7.81 6 V 8.87 4.38 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 0.89 0.00 0.00 0.94 0.00 0.00 7 T 8.60 5.25 4.40 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 1.38 0.00 0.00 8 L 8.24 4.36 0.00 1.51 1.63 0.83 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.35 3.76 0.00 0.49 0.97 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.49 3.99 0.00 1.99 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 2.25 2.17 0.00 11 G 8.97 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 0.00 0.00 0.00 12 R 7.71 4.01 0.00 1.72 1.83 0.00 3.16 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 13 P 0.00 4.41 0.00 2.14 1.95 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 14 P 0.00 4.24 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.68 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 15 E 8.09 3.93 0.00 2.07 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 0.00 2.37 2.48 0.00 16 K 7.95 3.95 0.00 1.89 1.76 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.57 7.81 17 K 8.00 3.99 0.00 2.02 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 18 R 8.21 3.94 0.00 2.04 2.19 0.00 3.02 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 19 E 8.22 3.97 0.00 2.19 2.04 0.00 0.00 0.00 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 2.57 0.00 20 L 8.07 3.92 0.00 1.82 1.83 0.92 0.72 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 21 V 7.96 3.55 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 0.95 0.00 0.00 0.95 0.00 0.00 22 R 8.08 3.95 0.00 2.07 2.02 0.00 3.48 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 1.83 1.86 0.00 23 R 8.23 3.95 0.00 1.94 1.99 0.00 3.31 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 24 L 8.16 4.02 0.00 1.65 1.69 0.91 0.88 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 25 T 7.95 3.69 4.16 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 0.27 0.00 0.00 26 E 8.40 4.19 0.00 2.22 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 2.43 2.54 0.00 27 M 8.18 4.01 0.00 2.19 2.13 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 2.61 2.61 0.00 28 A 8.20 3.97 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 29 S 8.14 4.15 0.00 3.97 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 30 R 7.95 3.89 0.00 2.12 2.12 0.00 3.33 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 1.66 1.69 0.00 31 L 8.18 4.20 0.00 1.64 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.81 4.62 0.00 1.72 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.81 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 34 E 7.88 4.62 0.00 2.00 1.85 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 2.32 2.24 0.00 35 P 0.00 4.52 0.00 2.20 2.03 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 36 Y 9.04 4.04 0.00 2.97 2.95 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 0.00 0.00 0.00 37 E 8.30 4.13 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 38 E 8.07 4.27 0.00 2.07 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 2.31 2.38 0.00 39 V 7.20 3.98 1.85 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 0.64 0.00 0.00 0.90 0.00 0.00 40 R 8.66 4.76 0.00 1.74 1.75 0.00 3.25 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 41 V 8.23 4.85 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 0.82 0.00 0.00 0.88 0.00 0.00 42 I 8.88 4.57 1.87 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 1.26 1.62 0.91 0.00 0.00 43 L 8.61 4.86 0.00 1.57 1.60 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.21 4.70 0.00 2.92 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 45 E 8.53 4.64 0.00 1.85 1.77 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 2.20 2.27 0.00 46 V 8.09 3.99 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 1.13 0.00 0.00 0.51 0.00 0.00 47 R 8.54 4.55 0.00 2.04 1.95 0.00 3.21 0.00 0.00 3.40 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 0.00 48 R 8.76 3.97 0.00 1.96 2.29 0.00 3.22 0.00 0.00 3.78 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 49 D 7.97 4.93 0.00 2.82 2.79 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 50 Q 8.27 4.55 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 51 W 8.29 4.69 0.00 3.28 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.54 5.56 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 53 A 7.95 4.49 1.19 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 0.00 0.00 0.00 54 G 9.56 3.64 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 0.00 0.00 0.00 55 G 8.52 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 0.00 0.00 0.00 56 V 7.52 4.40 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 1.00 0.00 0.00 1.00 0.00 0.00 57 L 8.37 4.66 0.00 1.78 1.67 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 F 9.52 4.11 0.00 3.51 3.33 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 59 S 8.31 4.46 0.00 4.16 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 0.00 60 D 7.83 4.31 0.00 2.83 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 61 K 7.79 3.94 0.00 1.67 1.68 0.00 1.80 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.36 7.81 62 E 8.05 3.97 0.00 1.38 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 63 G 7.97 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