NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3961 8.3049 120.3278 54.3692 33.3976 174.6876 2 K 3.6537 8.5429 119.5161 56.8648 32.0322 175.9967 3 R 4.4097 8.5161 123.4461 54.7935 32.5344 176.2001 4 T 3.8611 8.5840 113.5063 65.3365 67.0593 174.3203 5 W 4.4198 8.1186 135.0000 56.8368 29.5488 175.2988 6 Q 4.1206 7.5718 125.5685 52.3704 28.3821 174.0700 7 P 3.4774 0.0000 0.0000 62.8893 31.9150 176.4821 8 N 4.3103 7.8587 112.4939 51.8231 42.3657 175.3999 9 R 3.9141 8.3537 127.5672 59.3525 30.3982 178.7343 10 R 3.8780 7.9780 117.9717 59.4490 30.0543 177.9520 11 K 3.8515 8.1653 118.6036 59.5361 32.2608 178.0309 12 R 3.9925 8.3053 118.8638 59.7557 29.9318 178.2752 13 A 4.0302 8.1296 119.9710 55.2613 18.3226 179.8561 14 K 4.0443 8.2915 115.6805 59.1363 32.0432 179.3212 15 T 4.1624 8.2970 115.7705 65.8370 69.0666 175.5461 16 H 4.6884 7.9864 114.5339 55.3357 30.1767 175.3937 17 G 4.0363 7.7046 109.7028 45.1672 0.0000 172.8192 18 F 4.0449 8.3422 119.3951 61.3773 38.8056 176.9365 19 R 3.9611 8.3821 120.8512 59.3782 30.5534 178.4691 20 A 4.0868 7.9288 120.3103 55.3140 18.0985 179.5534 21 R 3.8429 8.1142 115.7387 59.4861 30.0402 179.0021 22 M 4.0066 7.7731 116.9912 57.2504 31.9232 177.9257 23 R 4.3251 7.4327 117.2771 57.0531 31.7468 176.8995 24 T 4.0079 7.2853 113.8438 61.0680 67.8902 173.1416 25 P 4.5465 0.0000 0.0000 63.6311 31.1207 176.5861 26 G 3.9397 8.4878 109.4096 47.0772 0.0000 175.9936 27 G 3.7076 7.6956 108.0188 46.9982 0.0000 175.9464 28 R 3.9080 7.8617 119.6725 59.0773 30.1317 179.0854 29 K 4.0384 7.7940 117.9017 59.2764 32.0893 179.4455 30 V 3.6498 7.9690 118.9866 65.6875 31.3955 178.2258 31 L 3.9699 7.6273 118.6701 57.6008 41.6585 179.2710 32 K 4.0529 8.1239 119.1540 58.9721 32.0112 178.9547 33 R 4.1433 7.9200 118.6394 59.0717 30.2263 178.8714 34 R 4.0044 8.0052 117.8820 59.3034 29.3227 179.1298 35 R 3.9402 8.1433 118.0591 59.2956 29.9192 178.6103 36 Q 4.3949 7.6011 117.4837 59.2721 29.1805 178.2221 37 K 4.2099 8.1372 118.4574 56.0178 33.6818 176.2005 38 G 3.9390 9.0486 107.9052 46.7711 0.0000 173.1659 39 R 4.6180 8.3838 119.4949 55.1462 31.9929 177.6041 40 W 4.4907 8.8562 120.2461 58.7604 29.6053 177.0772 41 R 4.8078 7.9262 115.7067 54.3929 33.1105 174.7462 42 L 4.6230 8.6977 120.2602 55.1522 43.6015 176.9812 43 T 4.6925 7.6109 113.6871 60.4499 71.5462 171.7328 44 P 4.0984 0.0000 0.0000 63.1427 31.8434 176.0020 45 A 4.3173 8.4132 125.3423 52.1146 19.2677 176.3257 46 V 4.4882 7.7077 118.8534 62.4979 34.7488 173.2972 47 R 4.6072 7.9447 114.9282 55.4909 31.3399 174.8002 48 K 4.1614 8.3808 117.4214 57.3208 32.6541 176.0004 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 4.40 0.00 2.01 2.09 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 2.51 2.64 0.00 2 K 8.54 3.65 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 3 R 8.52 4.41 0.00 1.85 1.92 0.00 3.44 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 4 T 8.58 3.86 4.31 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 1.30 0.00 0.00 5 W 8.12 4.42 0.00 3.37 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 6 Q 7.57 4.12 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 7 P 0.00 3.48 0.00 2.12 2.08 0.00 3.47 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 8 N 7.86 4.31 0.00 2.62 2.55 0.00 0.00 6.96 7.65 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 9 R 8.35 3.91 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 10 R 7.98 3.88 0.00 1.87 1.93 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.17 3.85 0.00 1.88 1.95 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.60 7.81 12 R 8.31 3.99 0.00 2.22 2.15 0.00 3.42 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 13 A 8.13 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 4.04 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.59 7.81 15 T 8.30 4.16 4.29 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 0.86 0.00 0.00 16 H 7.99 4.69 0.00 3.20 3.37 0.00 5.70 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 17 G 7.70 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 18 F 8.34 4.04 0.00 3.13 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 19 R 8.38 3.96 0.00 1.91 2.08 0.00 3.35 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 20 A 7.93 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.84 0.00 1.72 2.00 0.00 3.29 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 22 M 7.77 4.01 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.64 0.00 23 R 7.43 4.33 0.00 1.79 1.95 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 24 T 7.29 4.01 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 1.26 0.00 0.00 25 P 0.00 4.55 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 26 G 8.49 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 0.00 0.00 0.00 27 G 7.70 3.71 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 0.00 0.00 0.00 28 R 7.86 3.91 0.00 1.91 1.95 0.00 3.10 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 29 K 7.79 4.04 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.66 7.81 30 V 7.97 3.65 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 1.03 0.00 0.00 1.01 0.00 0.00 31 L 7.63 3.97 0.00 1.86 1.67 0.63 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.12 4.05 0.00 1.83 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 33 R 7.92 4.14 0.00 2.07 1.95 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 34 R 8.01 4.00 0.00 2.03 2.02 0.00 3.14 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 35 R 8.14 3.94 0.00 1.89 1.98 0.00 3.16 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 36 Q 7.60 4.39 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 37 K 8.14 4.21 0.00 1.82 1.92 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.46 7.81 38 G 9.05 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 0.00 0.00 0.00 39 R 8.38 4.62 0.00 1.99 2.08 0.00 3.34 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 40 W 8.86 4.49 0.00 3.24 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 41 R 7.93 4.81 0.00 1.78 1.84 0.00 3.37 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 42 L 8.70 4.62 0.00 1.71 1.75 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.61 4.69 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 44 P 0.00 4.10 0.00 2.09 2.06 0.00 3.73 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 2.03 2.11 0.00 45 A 8.41 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.49 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 0.88 0.00 0.00 1.05 0.00 0.00 47 R 7.94 4.61 0.00 1.92 1.85 0.00 3.07 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 48 K 8.38 4.16 0.00 1.83 1.75 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.43 7.81