NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9042 8.3093 119.3891 57.6582 40.3022 174.5027 4 R 4.4176 8.5889 117.8165 55.6336 31.6529 173.6495 5 I 3.9386 8.8345 121.5901 61.6923 38.9093 176.8343 6 R 5.0690 8.5935 126.1257 54.4856 34.0256 174.8365 7 K 4.7800 8.9374 120.3300 55.1602 36.6036 174.4284 8 C 4.6210 8.5186 126.6792 57.8460 32.9252 171.9072 9 P 5.2488 0.0000 0.0000 62.2362 31.9217 175.8455 10 K 4.6778 8.0178 118.8912 58.6028 39.0212 175.4506 11 C 4.4745 8.2124 111.1197 58.8702 31.1533 174.7549 12 G 3.9587 7.3534 106.2733 45.4232 0.0000 172.8658 13 R 4.5357 7.8240 118.9444 54.2455 32.7614 174.0923 14 Y 5.0705 8.4639 123.5855 57.3913 39.3739 174.7332 15 T 4.6360 8.2107 115.8801 61.6986 70.4157 172.8324 16 L 4.6296 8.5651 117.9484 54.7839 44.0160 176.9695 17 K 4.3761 7.5452 117.6382 56.0843 33.2213 176.2420 18 E 4.4127 8.5819 117.3443 57.9066 30.8145 177.4595 19 V 4.5484 7.5686 110.8820 59.8321 33.5126 175.8754 20 C 4.2991 9.3679 125.5212 59.0396 31.9378 172.4235 21 P 4.4803 0.0000 0.0000 63.8019 31.1128 176.4325 22 V 3.9984 6.8227 117.9840 64.2476 32.9787 176.3268 23 C 4.1979 8.2973 116.5417 60.7741 30.5618 175.3455 24 G 4.1126 8.2784 107.9894 45.1403 0.0000 172.7900 25 E 4.4821 8.0730 120.6009 54.2510 32.0829 174.8788 26 K 4.5618 8.4675 122.0126 56.4155 32.6960 176.9975 27 T 4.5970 8.9181 115.3484 60.4407 71.1726 173.8505 28 K 4.7995 8.3552 121.5960 54.1391 36.5608 175.7134 29 V 3.9746 8.3533 121.8499 63.2664 31.5400 176.0988 30 A 4.1410 8.7291 131.1248 55.2464 18.6175 178.1434 31 H 4.1208 7.9936 112.9187 55.3433 28.9457 173.8232 32 P 4.4246 0.0000 0.0000 61.2792 31.8967 174.4634 33 P 4.2632 0.0000 0.0000 63.0057 31.4741 176.2595 34 R 4.1276 8.4455 121.3709 56.2865 30.7524 175.3262 35 F 4.9026 8.6212 125.4938 56.2743 42.1692 173.7785 36 S 4.6895 7.0120 120.4025 55.4256 64.3916 173.1376 37 P 4.4604 0.0000 0.0000 64.8794 31.4406 177.0067 38 E 4.0796 7.9868 118.2707 56.8056 30.5987 175.5904 39 D 3.9626 7.2588 114.6502 53.6009 39.5284 171.3313 40 P 3.8960 0.0000 0.0000 65.4974 31.3828 178.3617 41 Y 4.9443 7.5886 115.3463 57.0775 38.5337 177.6767 42 G 3.9374 7.9736 110.2989 48.3009 0.0000 175.5236 43 E 3.8572 8.1495 119.8371 59.5747 29.8959 178.2346 44 Y 4.3562 8.1925 116.6940 60.9874 38.0816 178.0466 45 R 4.2416 8.2866 119.2608 59.5950 30.2869 178.6526 46 R 4.0558 8.2193 118.0761 59.1158 30.1701 178.9572 47 R 3.9984 7.9842 118.2824 58.9895 29.5329 178.3690 48 W 4.3656 8.3344 128.0177 60.1468 30.9426 177.7647 49 K 3.3176 8.0386 118.9774 58.6526 31.4958 179.2131 50 R 3.8444 7.8070 118.7550 59.1142 30.1465 178.5009 51 E 3.9031 7.6893 117.9989 59.1258 29.4221 179.0580 52 V 3.5742 6.9256 116.1601 66.0530 31.7508 177.8451 53 L 4.1043 7.4693 116.4857 54.9672 42.8606 176.0404 54 G 3.5559 7.3417 105.4479 45.7665 0.0000 173.6944 55 I 4.0414 8.4054 122.8107 61.6528 37.4416 176.1262 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 F 8.31 4.90 0.00 3.09 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 4 R 8.59 4.42 0.00 1.98 2.02 0.00 3.05 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 5 I 8.83 3.94 1.93 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 1.37 0.71 0.91 0.00 0.00 6 R 8.59 5.07 0.00 1.74 1.93 0.00 3.32 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 7 K 8.94 4.78 0.00 1.74 1.50 0.00 1.46 0.00 0.00 1.45 0.00 0.00 2.55 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.01 0.43 7.81 8 C 8.52 4.62 0.00 3.02 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 9 P 0.00 5.25 0.00 2.20 2.10 0.00 3.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 10 K 8.02 4.68 0.00 1.67 1.76 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 11 C 8.21 4.47 0.00 3.06 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 12 G 7.35 3.96 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 0.00 0.00 0.00 13 R 7.82 4.54 0.00 1.87 1.71 0.00 3.24 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 14 Y 8.46 5.07 0.00 2.90 2.83 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 0.00 0.00 0.00 15 T 8.21 4.64 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 1.24 0.00 0.00 16 L 8.57 4.63 0.00 1.65 1.68 0.94 0.89 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 17 K 7.55 4.38 0.00 1.83 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.57 7.81 18 E 8.58 4.41 0.00 1.93 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 2.37 2.19 0.00 19 V 7.57 4.55 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 0.66 0.00 0.00 0.94 0.00 0.00 20 C 9.37 4.30 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.22 2.16 0.00 3.79 0.00 0.00 3.77 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 22 V 6.82 4.00 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 0.83 0.00 0.00 0.93 0.00 0.00 23 C 8.30 4.20 0.00 3.11 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 24 G 8.28 4.11 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 0.00 0.00 0.00 25 E 8.07 4.48 0.00 2.10 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 2.32 2.39 0.00 26 K 8.47 4.56 0.00 1.69 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 T 8.92 4.60 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 1.21 0.00 0.00 28 K 8.36 4.80 0.00 1.71 1.70 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 29 V 8.35 3.97 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 0.78 0.00 0.00 0.98 0.00 0.00 30 A 8.73 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.99 4.12 0.00 2.78 2.97 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.42 0.00 2.03 1.98 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 33 P 0.00 4.26 0.00 2.26 2.11 0.00 3.78 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 2.04 2.03 0.00 34 R 8.45 4.13 0.00 1.83 1.92 0.00 3.22 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 35 F 8.62 4.90 0.00 2.94 2.91 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 36 S 7.01 4.69 0.00 3.70 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 37 P 0.00 4.46 0.00 2.21 2.19 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 38 E 7.99 4.08 0.00 1.86 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 2.22 2.17 0.00 39 D 7.26 3.96 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 3.90 0.00 0.61 1.67 0.00 3.60 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 41 Y 7.59 4.94 0.00 3.24 3.27 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 42 G 7.97 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 43 E 8.15 3.86 0.00 1.79 1.54 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 0.00 2.00 2.24 0.00 44 Y 8.19 4.36 0.00 3.32 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.24 0.00 2.07 2.25 0.00 3.43 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 46 R 8.22 4.06 0.00 2.15 1.99 0.00 3.19 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 47 R 7.98 4.00 0.00 1.99 2.15 0.00 3.20 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 48 W 8.33 4.37 0.00 3.45 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.32 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.01 7.81 50 R 7.81 3.84 0.00 2.12 1.94 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 51 E 7.69 3.90 0.00 2.13 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 2.30 2.32 0.00 52 V 6.93 3.57 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 0.75 0.00 0.00 0.64 0.00 0.00 53 L 7.47 4.10 0.00 1.69 1.64 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.34 3.56 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 0.00 0.00 0.00 55 I 8.41 4.04 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 1.13 0.66 0.89 0.00 0.00