NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3723 8.1627 120.6188 55.5632 34.1330 173.8749 2 E 4.8627 8.8736 126.9066 54.1927 30.2694 169.8997 3 V 4.3702 9.3702 120.9761 59.6809 34.4318 174.6698 4 N 5.0514 8.4893 119.8513 52.0086 40.3708 176.4182 5 K 3.9554 9.2988 119.7849 60.5057 32.1370 178.7959 6 K 3.9483 7.9452 119.9347 59.3259 31.5899 178.6603 7 Q 3.9689 7.9740 117.8249 58.6780 28.6737 178.4467 8 L 3.6047 9.2256 121.2370 58.1036 42.1047 179.0264 9 A 3.7261 8.3479 121.4438 54.8475 18.1595 179.4777 10 D 4.2114 8.3382 117.9467 57.5756 40.8456 178.7245 11 I 3.9243 8.8438 117.7797 63.3704 37.9615 176.7535 12 F 4.9624 7.9579 115.9377 56.1785 39.4305 176.2167 13 G 3.9181 8.1982 106.4937 46.1397 0.0000 174.6026 14 A 4.4292 8.0339 123.8165 51.1546 20.6523 176.7744 15 S 4.6905 8.0509 110.1140 56.7434 65.2740 175.3096 16 I 3.1937 8.3193 125.7533 64.5345 36.5961 178.6741 17 R 3.9138 7.7643 118.5367 59.4998 29.9485 178.9262 18 T 3.6758 8.3141 116.1465 66.4666 68.2250 176.8469 19 I 3.4320 6.8978 121.2636 64.0373 36.8799 178.2130 20 Q 4.0197 8.0270 118.6312 58.3395 28.6172 177.3728 21 N 4.9397 8.2388 119.3816 54.5813 38.4867 177.2529 22 W 4.7285 8.5795 121.2628 60.1316 29.0994 178.0028 23 Q 4.4519 8.2411 118.8692 58.7916 28.4698 177.2160 24 E 4.4984 8.0469 112.3805 56.4972 30.1749 176.8841 25 Q 4.6193 9.6618 118.5296 56.0840 29.3159 175.9429 26 G 4.0890 8.3745 106.0247 45.9764 0.0000 173.3752 27 M 2.5500 7.7038 118.4421 53.0186 33.0414 175.1783 28 P 4.4905 0.0000 0.0000 62.3596 29.5448 175.1957 29 V 4.0912 7.4556 125.2992 61.3828 32.2185 176.5529 30 L 3.7712 7.3197 121.4531 58.4581 42.0723 180.7131 31 R 4.2732 7.3312 120.3116 55.6910 32.5486 175.9411 32 G 3.7257 8.5817 105.2152 45.9437 0.0000 174.6636 33 G 4.2511 7.8553 106.5507 46.4059 0.0000 173.6678 34 G 4.0494 7.7476 105.4498 44.8520 0.0000 175.4342 35 K 4.4538 7.1410 118.1805 54.9665 32.4851 176.8100 36 G 3.9015 8.0452 103.0798 46.2713 0.0000 171.9703 37 N 4.9372 7.3630 117.1506 51.8200 40.4555 174.3077 38 E 4.4408 8.2626 114.9574 55.2906 31.0764 172.4033 39 V 2.9361 7.6322 125.6750 62.6123 32.7708 171.7122 40 L 4.2107 7.5737 126.2729 53.8234 45.2039 174.3382 41 Y 4.8492 8.1525 116.8592 57.1736 41.5506 175.0440 42 D 5.2316 8.8101 125.2598 54.1819 38.7024 176.6833 43 S 4.5076 9.4095 119.5923 60.4935 63.5246 176.4313 44 A 4.1590 8.2226 121.2226 54.6061 18.9988 179.1811 45 A 4.1258 8.1349 118.5602 55.0245 18.4704 179.8333 46 V 3.6379 9.4469 117.8035 65.6569 31.2987 178.2838 47 I 4.1139 7.6670 112.7919 64.0344 37.4774 177.8089 48 K 3.8563 8.1246 122.2717 58.8250 31.6073 177.7370 49 W 3.9893 8.0914 127.1518 59.2533 31.0733 176.9231 50 Y 4.1490 8.6251 120.3545 58.6939 38.1917 177.0338 51 A 3.5435 9.5211 120.8314 54.0572 18.6046 177.8037 52 E 4.1769 6.9865 114.9406 55.9915 29.9395 175.9714 53 R 4.1236 6.6736 121.1544 55.5273 32.7004 175.2977 54 D 4.4557 6.9646 117.7758 53.8969 40.5065 177.8273 55 A 3.6811 6.7437 120.8817 53.9522 18.3643 179.4125 56 E 4.2067 7.7956 116.6221 58.1031 29.8271 178.1575 57 I 3.9491 7.5113 119.8015 64.9621 36.9470 177.7752 58 E 4.0950 8.7276 118.3856 59.5714 29.1991 178.5888 59 N 4.5476 9.2590 117.4027 55.4174 38.7304 176.2114 60 E 3.9914 9.4339 119.7296 59.8554 29.7191 178.6936 61 K 4.3378 7.6146 114.3103 56.8800 32.5172 176.7959 62 L 4.5463 7.8486 121.2285 55.1822 42.0297 176.3838 63 R 4.6743 7.8335 113.7388 55.2956 32.2831 175.2487 64 R 4.0109 8.5397 119.8084 57.4038 28.5225 177.4008 65 E 4.7659 9.0348 111.3886 55.7694 30.8040 176.2948 66 V 3.8786 7.7613 116.6018 63.8062 32.5792 174.2449 67 E 4.8054 7.6990 124.3171 57.0019 34.4694 175.1555 68 E 4.2488 8.0796 119.6673 56.4816 29.7806 174.7702 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 4.37 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 2 E 8.87 4.86 0.00 2.04 1.82 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 2.14 2.35 0.00 3 V 9.37 4.37 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 0.67 0.00 0.00 0.98 0.00 0.00 4 N 8.49 5.05 0.00 2.67 2.76 0.00 0.00 6.52 7.67 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 5 K 9.30 3.96 0.00 1.95 2.37 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.56 7.81 6 K 7.95 3.95 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.49 7.81 7 Q 7.97 3.97 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 8 L 9.23 3.60 0.00 1.65 1.28 -0.08 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.35 3.73 1.14 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 0.00 0.00 10 D 8.34 4.21 0.00 2.84 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 11 I 8.84 3.92 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 0.75 0.00 0.00 12 F 7.96 4.96 0.00 2.94 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 13 G 8.20 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.03 4.43 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.05 4.69 0.00 3.74 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 16 I 8.32 3.19 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.43 0.84 0.00 0.00 17 R 7.76 3.91 0.00 1.74 1.93 0.00 3.24 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 1.64 1.62 0.00 18 T 8.31 3.68 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 0.60 0.00 0.00 19 I 6.90 3.43 1.70 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.21 0.00 0.00 20 Q 8.03 4.02 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 21 N 8.24 4.94 0.00 2.94 3.07 0.00 0.00 7.39 8.62 0.00 0.00 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 W 8.58 4.73 0.00 3.49 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 23 Q 8.24 4.45 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 24 E 8.05 4.50 0.00 2.31 2.26 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 2.76 2.37 0.00 25 Q 9.66 4.62 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.20 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 26 G 8.37 4.09 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 0.00 0.00 0.00 27 M 7.70 2.55 0.00 1.44 0.57 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.65 0.00 28 P 0.00 4.49 0.00 2.23 2.18 0.00 2.66 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 29 V 7.46 4.09 2.13 0.00 0.00 0.00 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 0.72 0.00 0.00 30 L 7.32 3.77 0.00 1.51 1.57 0.97 1.13 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 31 R 7.33 4.27 0.00 1.71 1.80 0.00 3.16 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 32 G 8.58 3.73 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 0.00 0.00 0.00 33 G 7.86 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 0.00 0.00 0.00 0.00 34 G 7.75 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 0.00 0.00 0.00 35 K 7.14 4.45 0.00 1.79 1.68 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 36 G 8.05 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 37 N 7.36 4.94 0.00 2.75 2.75 0.00 0.00 6.60 7.51 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 38 E 8.26 4.44 0.00 1.99 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 2.11 2.17 0.00 39 V 7.63 2.94 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 0.49 0.00 0.00 0.84 0.00 0.00 40 L 7.57 4.21 0.00 1.46 1.42 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.15 4.85 0.00 3.06 2.68 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 42 D 8.81 5.23 0.00 2.87 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 43 S 9.41 4.51 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.22 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.13 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 0.00 0.00 46 V 9.45 3.64 2.46 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 1.11 0.00 0.00 1.09 0.00 0.00 47 I 7.67 4.11 1.99 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 1.92 0.99 0.62 0.00 0.00 48 K 8.12 3.86 0.00 1.94 2.02 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.54 7.81 49 W 8.09 3.99 0.00 3.29 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.63 4.15 0.00 3.00 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 51 A 9.52 3.54 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.99 4.18 0.00 1.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 53 R 6.67 4.12 0.00 1.58 1.70 0.00 2.35 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.73 0.00 54 D 6.96 4.46 0.00 1.86 2.46 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 55 A 6.74 3.68 1.04 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 56 E 7.80 4.21 0.00 1.97 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 2.31 2.29 0.00 57 I 7.51 3.95 2.69 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.35 1.35 0.00 0.00 58 E 8.73 4.10 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 59 N 9.26 4.55 0.00 2.70 2.88 0.00 0.00 7.01 7.54 0.00 0.00 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 E 9.43 3.99 0.00 2.01 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 2.44 2.61 0.00 61 K 7.61 4.34 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 62 L 7.85 4.55 0.00 1.57 1.94 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.83 4.67 0.00 1.93 1.84 0.00 3.47 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 64 R 8.54 4.01 0.00 1.82 1.51 0.00 3.23 0.00 0.00 3.23 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 65 E 9.03 4.77 0.00 1.94 1.86 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 2.20 2.25 0.00 66 V 7.76 3.88 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 0.72 0.00 0.00 0.94 0.00 0.00 67 E 7.70 4.81 0.00 1.90 1.86 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 2.08 2.16 0.00 68 E 8.08 4.25 0.00 2.04 1.82 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 2.16 2.29 0.00