NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5860 8.1633 120.6462 55.5091 33.9488 173.6823 2 I 4.9280 8.5956 126.8256 59.2796 39.6711 173.3999 3 I 4.5711 8.6281 128.5174 59.8857 39.3044 174.2703 4 N 5.4013 8.7935 123.1981 50.7893 40.5090 173.7529 5 N 4.9233 8.5844 117.0861 52.9257 39.7090 176.9212 6 L 3.7889 8.2103 122.9456 58.0210 41.9773 178.5492 7 K 4.0133 7.9038 118.9763 59.6853 32.2240 178.6140 8 L 3.9666 7.7896 118.6755 57.7748 41.6907 179.5010 9 I 3.6924 7.7350 119.8583 64.2064 37.0405 178.4001 10 R 3.8818 8.2177 119.8602 59.6140 29.9395 178.4991 11 E 3.9715 8.4006 118.5310 59.1721 29.2156 179.0928 12 K 3.9166 7.9867 118.8992 59.3584 32.3325 178.1327 13 K 4.2283 7.7742 115.1675 55.7410 32.2646 176.8444 14 K 3.8430 7.8646 117.7145 57.5032 29.9049 175.4101 15 I 4.8656 7.7969 119.3461 59.1986 38.3433 177.1086 16 S 4.4973 8.5304 120.6381 57.6154 65.3372 175.2572 17 Q 4.0015 8.4752 121.0906 59.1711 28.4319 179.2038 18 S 4.0987 8.0424 114.8055 61.2586 63.0901 176.0719 19 E 3.8515 7.8803 122.5528 59.0862 29.4827 178.6198 20 L 3.9276 8.0734 120.1913 57.9029 42.1318 178.5595 21 A 3.9730 8.2848 120.8066 55.1472 18.1993 179.3523 22 A 3.8805 8.0955 119.2010 55.3297 18.2534 179.5725 23 L 3.7251 7.5599 117.3591 57.9857 42.2564 178.4540 24 L 4.2480 7.7837 115.7509 53.8985 42.6308 176.1404 25 E 3.7656 7.7529 117.8368 57.6981 27.3023 173.5515 26 V 4.5837 7.6284 109.7333 58.6697 36.2640 176.6000 27 S 4.4807 8.2404 115.4666 57.9366 65.1239 174.9819 28 R 3.8871 8.5117 122.7855 59.7242 29.7085 178.3436 29 Q 3.9778 8.1892 118.8053 59.6244 28.9263 178.5285 30 T 4.1801 7.9761 117.7384 66.2360 68.5618 176.5345 31 I 3.7244 7.5806 121.1249 64.5302 37.0915 178.0648 32 N 4.4007 8.5702 118.2626 56.6146 38.7710 177.1775 33 G 3.2996 8.4395 107.5703 47.4745 0.0000 175.7302 34 I 3.6858 7.5432 122.0731 64.4567 36.9877 178.4724 35 E 4.0428 7.9081 117.6978 58.7303 29.3056 178.5537 36 K 4.2808 7.9297 116.1987 55.3814 32.4098 176.2430 37 N 4.1875 7.8365 115.4940 54.3684 35.8766 176.2635 38 K 4.2938 7.7118 118.7499 56.9359 34.0775 178.5144 39 Y 4.5534 6.2860 120.1166 57.6134 42.9494 176.5490 40 N 4.8419 9.4151 119.8090 50.9812 38.6545 172.7778 41 P 4.6074 0.0000 0.0000 61.7823 32.4862 176.4677 42 S 4.3055 8.2236 113.7414 57.7401 64.7980 174.7742 43 L 3.8034 8.3138 123.5519 58.4472 41.7356 178.8251 44 Q 3.9122 7.9680 118.7893 59.1885 28.9746 177.8952 45 L 3.9710 8.1330 121.1764 57.9812 42.1153 178.6700 46 A 4.0086 8.1352 120.9375 55.2423 18.2304 179.6052 47 L 4.0271 8.2830 117.7794 57.8540 41.6593 179.9507 48 K 4.0388 8.3266 118.5183 59.4501 31.9230 179.3969 49 I 3.8649 8.2605 120.1162 64.5399 37.1073 178.3615 50 A 4.0698 8.3618 121.5645 55.1558 17.9553 178.9469 51 Y 3.8479 8.0294 117.1951 61.3194 38.9982 177.8358 52 Y 4.3845 8.0015 115.8859 60.5611 38.2263 177.3130 53 L 4.1940 8.3579 118.0818 54.4415 42.4660 176.0038 54 N 4.0941 7.9924 116.5128 53.8032 37.6676 172.7277 55 C 4.7487 7.5907 108.9683 55.8951 33.1220 171.8766 56 P 4.3601 0.0000 0.0000 62.4937 31.6638 177.4430 57 L 4.0832 8.7473 123.6199 58.4692 42.0861 178.7168 58 E 4.9378 8.0198 114.8649 57.6971 29.6705 177.5634 59 D 4.4943 8.0913 118.7133 56.5483 41.3988 177.1445 60 I 3.9989 8.0552 119.7362 62.0170 39.5391 175.7969 61 F 5.3283 8.0268 120.8304 55.7748 42.1850 174.3954 62 Q 4.7676 9.3301 124.1279 53.4759 31.2278 175.1078 63 W 4.7298 9.0156 135.0000 57.5109 31.6886 175.5185 64 Q 4.0553 8.2870 126.8923 53.9067 28.4497 174.2772 65 P 2.0000 0.0000 0.0000 61.9037 31.9974 176.4398 66 E 4.0830 7.6599 121.8841 56.5550 29.6488 174.5350 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 8.16 4.59 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 2 I 8.60 4.93 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.09 1.15 0.00 0.00 3 I 8.63 4.57 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.91 0.00 0.00 4 N 8.79 5.40 0.00 2.46 2.90 0.00 0.00 5.99 8.04 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 5 N 8.58 4.92 0.00 2.69 2.73 0.00 0.00 6.83 6.47 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 6 L 8.21 3.79 0.00 1.57 1.70 0.91 0.47 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 7 K 7.90 4.01 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.52 7.81 8 L 7.79 3.97 0.00 1.69 1.67 0.90 0.85 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 9 I 7.74 3.69 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.89 0.00 0.00 10 R 8.22 3.88 0.00 1.90 2.10 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 11 E 8.40 3.97 0.00 2.10 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 0.00 2.32 2.44 0.00 12 K 7.99 3.92 0.00 1.83 2.02 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.62 7.81 13 K 7.77 4.23 0.00 1.96 1.83 0.00 1.99 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 14 K 7.86 3.84 0.00 1.92 1.91 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.54 7.81 15 I 7.80 4.87 1.98 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 0.98 1.86 0.96 0.00 0.00 16 S 8.53 4.50 0.00 4.04 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 17 Q 8.48 4.00 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 18 S 8.04 4.10 0.00 4.04 4.12 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 19 E 7.88 3.85 0.00 2.05 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 0.00 2.28 2.29 0.00 20 L 8.07 3.93 0.00 1.81 1.65 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.28 3.97 1.46 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 0.00 0.00 22 A 8.10 3.88 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 23 L 7.56 3.73 0.00 1.49 1.71 0.46 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.78 4.25 0.00 1.69 1.74 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.75 3.77 0.00 2.05 2.00 0.00 0.00 0.00 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 26 V 7.63 4.58 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 0.79 0.00 0.00 0.97 0.00 0.00 27 S 8.24 4.48 0.00 4.07 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 28 R 8.51 3.89 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 29 Q 8.19 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 30 T 7.98 4.18 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 31 I 7.58 3.72 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.99 0.93 0.00 0.00 32 N 8.57 4.40 0.00 2.96 2.81 0.00 0.00 7.16 8.46 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 33 G 8.44 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 0.00 0.00 0.00 34 I 7.54 3.69 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 1.10 0.00 0.00 35 E 7.91 4.04 0.00 2.06 1.99 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 2.33 2.52 0.00 36 K 7.93 4.28 0.00 1.63 1.79 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.58 7.81 37 N 7.84 4.19 0.00 2.87 2.91 0.00 0.00 6.95 7.02 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 38 K 7.71 4.29 0.00 1.55 1.80 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.24 7.81 39 Y 6.29 4.55 0.00 3.03 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 0.00 0.00 0.00 0.00 40 N 9.42 4.84 0.00 2.78 2.80 0.00 0.00 6.80 8.02 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 41 P 0.00 4.61 0.00 2.09 2.12 0.00 3.63 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 1.47 1.69 0.00 42 S 8.22 4.31 0.00 4.03 4.01 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 43 L 8.31 3.80 0.00 1.71 1.67 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.97 3.91 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 45 L 8.13 3.97 0.00 1.82 1.65 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.14 4.01 1.01 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 0.00 0.00 47 L 8.28 4.03 0.00 1.86 1.75 0.91 1.02 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 48 K 8.33 4.04 0.00 2.07 2.04 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.65 7.81 49 I 8.26 3.86 2.30 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.03 1.06 0.00 0.00 50 A 8.36 4.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.85 0.00 2.97 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 52 Y 8.00 4.38 0.00 3.15 3.03 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 53 L 8.36 4.19 0.00 1.72 1.74 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.99 4.09 0.00 2.76 2.82 0.00 0.00 6.92 8.50 0.00 0.00 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 C 7.59 4.75 0.00 3.22 2.83 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 P 0.00 4.36 0.00 2.22 2.04 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 57 L 8.75 4.08 0.00 1.77 1.76 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.02 4.94 0.00 2.03 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 2.39 2.45 0.00 59 D 8.09 4.49 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 60 I 8.06 4.00 1.63 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.08 0.00 0.00 61 F 8.03 5.33 0.00 2.97 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 62 Q 9.33 4.77 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 63 W 9.02 4.73 0.00 3.26 3.20 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 64 Q 8.29 4.06 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 65 P 0.00 2.00 0.00 1.74 1.69 0.00 3.36 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 66 E 7.66 4.08 0.00 1.73 1.78 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 2.26 2.30 0.00