NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8442 8.3549 109.7365 46.1580 0.0000 173.4179 4 I 3.4720 8.5549 131.4919 60.8452 36.1574 172.9560 5 R 4.5628 8.3679 118.9292 54.6748 32.8325 175.1865 6 E 4.5776 8.1248 120.1698 55.3062 31.6583 175.5437 7 K 4.5993 8.4961 121.6725 56.0597 33.3367 176.3560 8 I 4.6932 8.5502 124.7638 59.2970 40.6632 174.9699 9 K 5.1531 8.2984 122.9479 53.9370 34.7407 175.7286 10 L 4.7440 8.5648 126.2050 53.8339 42.6389 176.6250 11 V 4.5341 8.5415 124.7882 61.7982 33.2063 175.4841 12 S 2.8502 8.6116 121.3430 57.8503 62.7764 174.1935 13 S 4.1859 7.8967 119.8979 58.8061 63.8656 173.7483 14 A 4.4446 7.2450 124.8312 50.4418 20.4549 177.7349 15 G 3.8077 8.3868 105.7226 46.8169 0.0000 174.3123 16 T 4.0693 7.4671 110.6701 61.2258 69.5653 175.1488 17 G 3.6752 8.8512 113.8213 49.0700 0.0000 173.5524 18 H 3.7330 7.9894 118.9660 55.4602 30.4427 172.9685 19 F 5.2830 6.8394 117.6245 56.2397 41.5805 172.1915 20 Y 4.7997 9.0880 117.3322 57.7756 41.1847 174.4929 21 T 5.0689 8.0330 109.9804 63.4349 70.4200 172.8282 22 T 4.7234 8.1333 122.9449 61.5998 71.1906 171.3933 23 T 4.8952 8.1395 111.3678 60.3439 70.3854 174.2813 24 K 4.1875 7.9719 119.9331 56.1189 36.8450 172.9780 25 N 4.9961 8.3524 126.1643 51.6251 39.4522 174.1480 26 K 3.7531 8.3943 127.2780 60.3312 32.6248 177.5138 27 R 4.0814 7.9169 119.5855 59.4356 30.6373 178.6304 28 T 3.9440 8.4204 107.7724 64.0779 68.7617 175.0576 29 K 4.3908 8.0967 124.5101 54.0746 34.1428 174.1367 30 P 4.4189 0.0000 0.0000 64.5971 31.7940 177.5328 31 E 4.1703 7.9609 116.1125 55.4003 30.3195 176.6010 32 K 4.1010 8.5632 121.9841 57.0804 33.0579 175.6958 33 L 4.7794 8.4419 121.0087 53.2161 43.8955 175.4888 34 E 5.0081 8.4037 122.8059 54.5922 32.7215 175.8492 35 L 4.1481 8.6510 120.0734 55.4508 43.0294 172.0492 36 K 4.1155 8.3604 123.8974 55.8741 29.2087 174.7222 37 K 4.4567 8.3464 121.8889 53.7906 35.0894 176.5739 38 F 4.1114 8.6665 125.8497 58.8348 39.6508 173.0575 39 D 4.5976 6.0500 119.3257 52.1280 41.2440 174.1419 40 P 4.5554 0.0000 0.0000 63.0108 31.6766 176.8918 41 V 4.1536 7.4945 117.6230 62.8013 33.2144 176.1934 42 V 4.0804 7.6506 116.8625 61.7105 32.1960 175.5181 43 R 3.7319 7.2140 116.2014 57.2712 28.3066 175.5129 44 Q 4.6554 7.0062 114.1243 54.7281 32.2703 175.3580 45 H 4.5491 8.4264 121.1111 55.9054 26.3117 175.6604 46 V 3.8956 7.6316 124.1790 61.3309 33.7438 175.9805 47 I 4.5371 8.0171 122.2226 60.1118 36.7111 174.7549 48 Y 4.1768 8.3714 125.3707 57.5853 39.4995 174.9939 49 K 4.8284 8.2783 122.0534 54.6012 37.0118 171.4580 50 E 4.0140 9.8137 124.9899 56.5345 29.6518 174.1169 51 A 4.8188 7.9537 129.0760 50.3511 19.3801 175.6239 52 K 4.2339 8.3469 121.9435 56.0164 32.4834 177.0158 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 3 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.55 3.47 1.87 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 1.41 0.57 0.91 0.00 0.00 5 R 8.37 4.56 0.00 1.79 1.84 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 6 E 8.12 4.58 0.00 1.95 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 2.28 2.28 0.00 7 K 8.50 4.60 0.00 1.63 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 8 I 8.55 4.69 1.90 0.00 0.00 0.87 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 1.01 0.95 0.00 0.00 9 K 8.30 5.15 0.00 1.62 1.67 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.21 7.81 10 L 8.56 4.74 0.00 1.75 1.87 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.54 4.53 2.11 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 0.96 0.00 0.00 1.03 0.00 0.00 12 S 8.61 2.85 0.00 3.88 3.67 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 13 S 7.90 4.19 0.00 3.92 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 14 A 7.24 4.44 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.47 4.07 4.26 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 1.24 0.00 0.00 17 G 8.85 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 18 H 7.99 3.73 0.00 3.02 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.84 5.28 0.00 3.17 3.08 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 20 Y 9.09 4.80 0.00 2.79 2.92 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 21 T 8.03 5.07 4.33 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 1.17 0.00 0.00 22 T 8.13 4.72 4.33 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 1.27 0.00 0.00 23 T 8.14 4.90 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 24 K 7.97 4.19 0.00 1.95 1.65 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.27 7.81 25 N 8.35 5.00 0.00 2.76 2.67 0.00 0.00 6.81 7.38 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 26 K 8.39 3.75 0.00 1.93 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.56 7.81 27 R 7.92 4.08 0.00 1.84 2.00 0.00 3.27 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 28 T 8.42 3.94 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 1.28 0.00 0.00 29 K 8.10 4.39 0.00 1.70 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.42 0.00 2.04 2.10 0.00 3.68 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 2.02 2.07 0.00 31 E 7.96 4.17 0.00 2.08 1.96 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 2.28 2.28 0.00 32 K 8.56 4.10 0.00 1.67 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 33 L 8.44 4.78 0.00 1.65 1.59 0.94 0.82 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 34 E 8.40 5.01 0.00 1.80 1.83 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 2.20 2.34 0.00 35 L 8.65 4.15 0.00 1.68 1.69 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.36 4.12 0.00 1.97 2.00 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 37 K 8.35 4.46 0.00 1.02 0.79 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.11 0.60 7.81 38 F 8.67 4.11 0.00 2.67 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 39 D 6.05 4.60 0.00 2.93 2.94 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 40 P 0.00 4.56 0.00 2.03 2.15 0.00 3.48 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 1.87 2.08 0.00 41 V 7.49 4.15 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 0.74 0.00 0.00 0.91 0.00 0.00 42 V 7.65 4.08 2.11 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 0.90 0.00 0.00 0.86 0.00 0.00 43 R 7.21 3.73 0.00 1.98 2.04 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 44 Q 7.01 4.66 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 7.33 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 45 H 8.43 4.55 0.00 3.26 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.63 3.90 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 0.83 0.00 0.00 0.79 0.00 0.00 47 I 8.02 4.54 1.84 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 1.34 0.48 0.91 0.00 0.00 48 Y 8.37 4.18 0.00 2.74 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 49 K 8.28 4.83 0.00 1.73 1.89 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.20 7.81 50 E 9.81 4.01 0.00 2.18 2.15 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 2.25 2.24 0.00 51 A 7.95 4.82 1.25 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 52 K 8.35 4.23 0.00 1.98 1.96 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.36 7.81