NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4147 8.3049 120.3312 55.6910 32.2684 175.5282 2 I 2.5980 8.1057 118.8783 60.7622 35.8661 169.3058 3 V 2.8927 8.4824 125.0717 62.1354 32.3914 173.7463 4 P 3.9974 0.0000 0.0000 62.9523 31.5123 176.1110 5 V 3.5750 8.2349 123.2213 63.3445 31.8514 172.4542 6 R 4.1037 8.5567 132.3794 55.5189 30.2179 175.3466 7 C 3.9931 8.2752 122.0604 59.0209 31.6602 173.8238 8 F 4.1380 7.6050 126.0194 61.1653 38.2854 177.0481 9 S 3.9650 7.6215 115.3433 61.5588 63.2108 175.1661 10 C 4.2987 7.9548 119.5063 58.5307 30.8885 175.1447 11 G 3.8816 8.1614 108.0817 44.6479 0.0000 173.2210 12 K 3.9567 7.8337 121.8826 55.6836 32.3709 176.0907 13 V 3.6016 8.3870 125.7125 63.8942 31.9427 175.6092 14 V 4.3495 8.3716 123.2834 62.7208 33.2888 177.1321 15 G 3.8180 8.2673 107.4478 47.4964 0.0000 173.2305 16 D 4.9863 7.8959 118.6418 53.2141 39.9858 176.9747 17 K 4.6473 8.0902 115.1199 55.9011 34.9467 178.2914 18 W 4.1437 8.4348 129.8519 60.6645 30.6839 177.5598 19 E 3.9223 8.3710 117.9589 59.4877 28.9651 179.1196 20 S 4.0840 8.1622 114.6197 61.9350 62.6995 175.7974 21 Y 3.9351 7.8202 120.4060 60.8083 38.7216 177.8241 22 L 3.7339 7.7829 119.8361 57.8866 41.6199 179.1490 23 N 4.1730 8.1320 116.1564 56.6591 38.1925 177.2327 24 L 3.8664 7.8289 119.9642 58.4067 41.4531 179.0996 25 L 3.9964 7.6724 119.2471 57.0671 41.3872 178.4746 26 Q 3.9087 7.8034 119.9143 60.0103 29.3995 178.8408 27 E 4.1029 8.1608 118.4869 59.4067 29.8373 178.8277 28 D 4.4149 8.0127 115.7419 54.7285 42.2151 176.1966 29 E 3.8918 7.2855 117.2378 56.4219 27.2602 173.4800 30 L 4.7532 7.4553 118.0282 52.5624 45.5492 176.7821 31 D 4.7345 8.2481 119.8358 52.6103 41.9369 177.5242 32 E 3.8995 8.6511 122.6527 59.4954 29.5145 180.0583 33 G 3.6521 8.1096 105.2002 48.3005 0.0000 175.7723 34 T 3.9161 7.7829 117.2341 65.9140 68.3223 176.6387 35 A 3.9253 7.5916 121.6011 55.6223 18.5314 179.2590 36 L 4.1678 8.0014 116.9057 58.2950 41.7480 179.7057 37 S 4.1348 8.0098 114.8738 62.0761 62.6462 177.1475 38 R 3.9901 8.2033 120.6275 59.0549 29.8715 177.7065 39 L 4.3814 7.7862 116.1954 54.6915 41.6500 177.8317 40 G 3.9346 7.8890 107.3347 45.6395 0.0000 175.1149 41 L 4.3652 7.4952 120.6340 53.4456 40.1668 176.0166 42 K 4.2385 8.1901 121.8441 57.5637 34.0927 178.1608 43 R 4.5107 7.5371 115.7997 54.2497 31.4188 176.7808 44 Y 4.2993 8.1703 118.8632 60.3154 36.8122 178.4057 45 C 4.2903 7.8362 116.2089 61.2227 29.5393 174.7150 46 C 4.1152 7.8288 116.1244 60.2597 28.3971 175.0746 47 R 4.3336 7.6406 120.1189 58.1155 30.4559 178.5194 48 R 4.0507 8.1771 115.9907 58.9693 29.2771 178.3720 49 M 3.8977 7.2425 118.9531 58.6713 32.2989 177.8320 50 I 4.1045 7.5042 118.7143 63.9432 37.5808 177.6178 51 L 3.9276 7.5947 119.7223 58.4122 41.8722 178.5191 52 T 4.2928 7.8760 113.6363 63.9090 69.3277 174.9490 53 H 4.0975 7.3165 120.4111 56.6798 30.1479 175.1301 54 V 4.0608 7.7855 125.5537 60.2325 31.8324 173.8462 55 D 4.3105 7.6682 131.0829 53.5903 40.6291 177.4190 56 L 3.6635 7.5902 121.9127 57.6923 42.0147 178.9454 57 I 3.8563 7.6840 118.2279 64.3307 37.5733 177.2418 58 E 4.0682 7.7490 117.7447 58.4403 29.2738 178.3381 59 K 4.3412 8.0810 117.9978 57.2647 32.9525 178.3078 60 F 4.8358 7.9311 118.0775 59.9983 38.7093 177.4618 61 L 4.2116 8.0237 117.1071 56.9091 41.7541 177.7570 62 R 3.9630 7.4419 117.1584 57.5926 30.1331 175.8734 63 Y 4.2197 7.8759 115.6053 58.1415 36.5243 175.3083 64 N 3.8593 7.9881 121.7950 55.9644 40.2700 172.6422 65 P 4.4779 0.0000 0.0000 62.9291 31.7132 175.9386 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 8.30 4.41 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.73 0.00 2 I 8.11 2.60 1.84 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 1.25 -0.01 0.82 0.00 0.00 3 V 8.48 2.89 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 0.77 0.00 0.00 0.33 0.00 0.00 4 P 0.00 4.00 0.00 1.73 1.66 0.00 3.43 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 5 V 8.23 3.58 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.56 4.10 0.00 1.97 1.91 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 7 C 8.28 3.99 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 4.14 0.00 3.11 2.99 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 9 S 7.62 3.96 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.95 4.30 0.00 3.05 3.02 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 0.00 0.00 0.00 0.00 11 G 8.16 3.88 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 0.00 0.00 0.00 12 K 7.83 3.96 0.00 1.77 1.68 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.41 7.81 13 V 8.39 3.60 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 0.86 0.00 0.00 0.92 0.00 0.00 14 V 8.37 4.35 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 0.94 0.00 0.00 0.94 0.00 0.00 15 G 8.27 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.90 4.99 0.00 2.81 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 17 K 8.09 4.65 0.00 1.99 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 18 W 8.43 4.14 0.00 3.43 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.92 0.00 2.11 2.02 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 0.00 2.59 2.56 0.00 20 S 8.16 4.08 0.00 4.04 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 21 Y 7.82 3.94 0.00 2.88 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 22 L 7.78 3.73 0.00 1.63 1.55 0.27 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.13 4.17 0.00 2.81 2.81 0.00 0.00 7.08 7.56 0.00 0.00 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 L 7.83 3.87 0.00 1.61 1.59 0.91 0.45 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 25 L 7.67 4.00 0.00 1.60 1.42 0.56 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.80 3.91 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 27 E 8.16 4.10 0.00 1.96 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 0.00 2.29 2.31 0.00 28 D 8.01 4.41 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.29 3.89 0.00 2.02 1.89 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 2.41 2.35 0.00 30 L 7.46 4.75 0.00 1.71 1.47 0.86 0.85 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 31 D 8.25 4.73 0.00 2.85 2.76 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 32 E 8.65 3.90 0.00 2.14 2.21 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 2.48 2.50 0.00 33 G 8.11 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 34 T 7.78 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 1.20 0.00 0.00 35 A 7.59 3.93 1.15 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 36 L 8.00 4.17 0.00 2.01 1.78 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.01 4.13 0.00 3.94 3.95 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 38 R 8.20 3.99 0.00 1.77 2.10 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 L 7.79 4.38 0.00 1.87 1.72 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.89 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 41 L 7.50 4.37 0.00 1.78 1.65 0.92 0.91 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 42 K 8.19 4.24 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 43 R 7.54 4.51 0.00 1.72 1.93 0.00 2.85 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 44 Y 8.17 4.30 0.00 3.18 3.26 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 45 C 7.84 4.29 0.00 3.20 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 46 C 7.83 4.12 0.00 3.08 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 47 R 7.64 4.33 0.00 1.94 2.02 0.00 3.22 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 48 R 8.18 4.05 0.00 2.16 2.25 0.00 2.92 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 49 M 7.24 3.90 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 50 I 7.50 4.10 1.64 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.08 0.00 0.00 51 L 7.59 3.93 0.00 1.77 1.81 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.88 4.29 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 1.26 0.00 0.00 53 H 7.32 4.10 0.00 3.05 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.79 4.06 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 0.83 0.00 0.00 0.97 0.00 0.00 55 D 7.67 4.31 0.00 2.41 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.66 0.00 1.57 0.75 1.00 0.67 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 57 I 7.68 3.86 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.92 0.00 0.00 58 E 7.75 4.07 0.00 2.00 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 2.57 2.56 0.00 59 K 8.08 4.34 0.00 1.53 1.78 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.27 7.81 60 F 7.93 4.84 0.00 3.27 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 61 L 8.02 4.21 0.00 1.70 1.79 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.44 3.96 0.00 1.77 1.70 0.00 3.20 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 63 Y 7.88 4.22 0.00 3.20 2.96 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 64 N 7.99 3.86 0.00 2.70 2.80 0.00 0.00 7.24 7.69 0.00 0.00 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 P 0.00 4.48 0.00 2.24 2.04 0.00 3.95 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 1.99 0.00