NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2839 8.2644 123.5828 51.3435 20.1544 175.5108 3 K 4.4029 8.0499 119.1094 56.5901 36.9760 175.6223 4 H 3.6217 7.9624 114.3551 54.2888 33.2346 174.8976 5 P 4.3328 0.0000 0.0000 62.9180 31.7145 176.0884 6 V 4.4896 8.0071 121.5452 59.7540 34.7623 172.8758 7 P 4.3712 0.0000 0.0000 62.5154 31.6046 176.6391 8 K 4.1374 8.6502 124.1910 58.6745 32.5715 176.8327 9 K 4.6257 7.5488 115.9388 54.0506 36.0600 175.6130 10 K 3.8780 8.6109 123.7150 56.8920 32.5569 176.1629 11 T 4.0574 8.3828 121.2212 61.2511 67.9598 174.1842 12 S 4.3461 8.5741 123.1359 58.2886 63.7990 175.5228 13 K 3.9590 8.6373 119.1489 59.3614 31.6266 179.4780 14 A 3.9395 7.8960 120.5549 55.3405 18.2446 179.6185 15 R 3.8156 7.7175 115.4075 59.0555 30.2824 178.5627 16 R 4.0130 7.6545 118.8527 59.6602 29.8280 178.2214 17 D 4.4278 8.6303 118.5031 56.7849 40.3096 178.5772 18 A 4.0175 8.2661 121.9128 54.7448 18.0867 179.5441 19 R 3.9254 7.5042 116.5039 59.2103 30.4540 178.0161 20 R 3.6451 7.4749 115.5444 56.4230 29.9507 178.2121 21 S 4.1080 7.3511 113.8173 60.8520 62.9068 174.8863 22 H 4.8545 7.8424 116.0321 55.9571 28.8121 174.9350 23 H 4.5188 8.6549 118.0929 57.1752 28.9867 175.9448 24 A 3.9879 8.0572 122.0869 52.4839 18.4368 177.3352 25 L 4.2912 8.3450 122.1939 54.7421 42.5939 176.4515 26 T 4.5374 8.0539 116.3640 60.9414 70.3479 172.7713 27 P 4.2390 0.0000 0.0000 62.0317 31.9088 174.4456 28 P 4.3045 0.0000 0.0000 63.1967 31.3330 175.7695 29 T 4.2949 8.4190 112.3940 61.4996 70.0260 173.4691 30 L 4.9683 8.4367 124.4887 53.2063 46.0077 176.0508 31 V 4.6845 8.4063 113.1181 59.0276 36.3770 173.0253 32 P 5.3725 0.0000 0.0000 62.9421 32.3074 175.6786 33 C 4.5147 8.4283 122.4830 56.9557 31.6472 171.4501 34 P 4.2164 0.0000 0.0000 64.0819 31.6684 175.7950 35 E 3.5595 9.1078 118.2263 55.3073 26.0433 171.3301 36 C 4.1567 7.8458 114.1477 57.4482 33.4028 173.5331 37 K 4.3816 8.2700 128.8018 56.8519 31.4107 175.7355 38 A 4.5916 8.0958 127.0721 51.6288 22.8982 174.3100 39 M 5.0770 8.5896 120.0047 53.5912 33.6795 175.8251 40 K 4.8141 8.9993 122.8262 54.0134 36.7267 173.9928 41 P 4.9328 0.0000 0.0000 61.6933 32.0711 174.2527 42 P 4.4498 0.0000 0.0000 64.1499 31.6111 175.1655 43 H 4.1539 8.6252 113.5601 56.9135 26.4631 174.9549 44 T 4.9700 7.2034 110.8735 60.2995 70.7905 171.6355 45 V 4.2554 8.2424 116.1179 64.8363 33.3141 173.2196 46 C 3.8723 8.1222 123.5065 58.3254 32.1439 171.0899 47 P 4.8412 0.0000 0.0000 62.0477 28.6626 175.9579 48 E 4.8164 7.1833 119.4239 57.2292 35.0784 176.2389 49 C 5.3299 6.6506 118.0881 58.1410 31.3305 175.5873 50 G 4.0353 8.2631 114.5854 45.2655 0.0000 172.2258 51 Y 3.9358 7.4620 124.5432 55.8049 46.2620 175.9326 52 Y 4.2335 8.4632 123.1909 58.8661 40.6793 173.8232 53 A 4.0673 8.3780 120.5600 52.8617 16.0981 176.2832 54 G 3.8480 7.6255 110.6036 45.8431 0.0000 173.7715 55 R 4.1594 8.2738 120.6468 54.8084 30.9015 175.5431 56 K 4.7513 8.6391 123.8963 57.3858 34.5753 175.5066 57 V 3.5643 6.4631 106.0394 60.5434 33.6472 178.8997 58 L 4.8828 8.1638 126.6739 53.6152 44.6027 175.2189 59 E 4.8385 7.9083 115.2612 55.9496 31.3875 176.6551 60 V 3.8970 8.4302 121.3188 63.8668 31.7469 171.1363 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 2 A 8.26 4.28 1.30 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 3 K 8.05 4.40 0.00 1.74 1.69 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.54 7.81 4 H 7.96 3.62 0.00 3.19 2.70 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.33 0.00 2.21 2.05 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 6 V 8.01 4.49 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 0.89 0.00 0.00 0.99 0.00 0.00 7 P 0.00 4.37 0.00 2.22 2.06 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.65 4.14 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.55 4.63 0.00 1.73 1.63 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.61 3.88 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 T 8.38 4.06 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 1.21 0.00 0.00 12 S 8.57 4.35 0.00 4.04 4.02 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 13 K 8.64 3.96 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.50 7.81 14 A 7.90 3.94 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 15 R 7.72 3.82 0.00 1.84 1.97 0.00 3.26 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 7.65 4.01 0.00 1.89 2.07 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.63 4.43 0.00 2.67 2.69 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 0.00 0.00 0.00 0.00 18 A 8.27 4.02 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 19 R 7.50 3.93 0.00 1.80 2.15 0.00 3.28 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 20 R 7.47 3.65 0.00 1.99 1.88 0.00 3.20 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 21 S 7.35 4.11 0.00 3.87 4.05 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 22 H 7.84 4.85 0.00 3.17 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.65 4.52 0.00 3.21 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.06 3.99 1.26 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 0.00 0.00 25 L 8.35 4.29 0.00 1.65 1.63 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.05 4.54 4.25 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 1.22 0.00 0.00 27 P 0.00 4.24 0.00 2.03 2.02 0.00 3.69 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 2.04 2.11 0.00 28 P 0.00 4.30 0.00 2.17 2.07 0.00 3.76 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 1.99 1.96 0.00 29 T 8.42 4.29 4.25 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 1.22 0.00 0.00 30 L 8.44 4.97 0.00 1.49 1.55 0.92 0.88 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 31 V 8.41 4.68 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 0.69 0.00 0.00 0.96 0.00 0.00 32 P 0.00 5.37 0.00 2.05 2.04 0.00 3.34 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 33 C 8.43 4.51 0.00 2.94 2.97 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 0.00 0.00 0.00 34 P 0.00 4.22 0.00 2.22 2.04 0.00 3.89 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 1.96 1.98 0.00 35 E 9.11 3.56 0.00 2.16 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 0.00 2.24 2.28 0.00 36 C 7.85 4.16 0.00 3.04 3.04 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 0.00 0.00 0.00 37 K 8.27 4.38 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 8.10 4.59 1.20 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 0.00 0.00 39 M 8.59 5.08 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 40 K 9.00 4.81 0.00 1.74 1.82 0.00 1.24 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.33 7.81 41 P 0.00 4.93 0.00 2.15 2.24 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.83 0.00 42 P 0.00 4.45 0.00 2.27 2.11 0.00 4.02 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 43 H 8.63 4.15 0.00 3.37 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.20 4.97 4.28 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 1.32 0.00 0.00 45 V 8.24 4.26 2.14 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 0.98 0.00 0.00 1.01 0.00 0.00 46 C 8.12 3.87 0.00 3.13 2.82 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 47 P 0.00 4.84 0.00 2.22 2.08 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 48 E 7.18 4.82 0.00 1.91 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 2.19 2.20 0.00 49 C 6.65 5.33 0.00 2.95 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 0.00 0.00 0.00 50 G 8.26 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.46 3.94 0.00 2.29 1.43 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 52 Y 8.46 4.23 0.00 3.38 3.28 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 53 A 8.38 4.07 1.67 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 0.00 0.00 54 G 7.63 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.27 4.16 0.00 1.71 1.80 0.00 3.41 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 56 K 8.64 4.75 0.00 2.14 1.81 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.15 1.60 7.81 57 V 6.46 3.56 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 0.71 0.00 0.00 0.97 0.00 0.00 58 L 8.16 4.88 0.00 1.56 1.52 0.92 0.81 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 59 E 7.91 4.84 0.00 2.03 1.88 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 2.02 2.12 0.00 60 V 8.43 3.90 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 0.70 0.00 0.00 0.94 0.00 0.00