NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7305 8.3431 109.7413 46.0849 0.0000 173.6390 3 G 3.6207 8.5523 106.1657 43.7436 0.0000 170.2013 4 Y 4.9202 8.8850 116.0273 56.0387 42.8493 173.8027 5 V 4.1465 8.8190 122.7495 61.5042 33.4490 174.5433 6 N 4.9323 8.6416 127.2585 52.1542 39.5822 174.0537 7 I 4.9206 8.8472 126.3749 59.4397 39.5999 174.8658 8 K 4.9486 9.0373 128.8202 54.8563 34.4413 174.9527 9 T 4.6658 8.7867 118.1470 60.2548 71.4769 173.4669 10 F 5.4124 8.1807 121.7011 55.8799 41.2338 176.0275 11 T 4.8614 8.9230 119.2306 64.1212 69.0613 173.1543 12 H 4.8186 8.3395 118.3028 53.8155 31.5573 171.3307 13 P 4.8159 0.0000 0.0000 62.4299 31.9995 176.4945 14 A 4.6032 8.2043 124.1087 51.0068 19.5111 177.5390 15 G 4.0442 8.2100 108.0173 45.5400 0.0000 172.3703 16 E 4.0742 8.4471 121.4964 57.8345 30.0742 177.5548 17 G 4.0354 9.2010 113.7367 44.9675 0.0000 172.5712 18 K 5.2878 7.9293 118.4839 54.7106 36.2684 174.8520 19 E 5.0569 9.4369 119.1000 55.2499 33.9236 173.8637 20 V 4.5648 8.5179 120.9400 60.9808 33.4941 174.9282 21 K 4.4492 8.6726 128.0106 55.9854 32.6936 177.4258 22 G 4.2129 8.9032 112.0253 46.1550 0.0000 172.2888 23 M 5.0330 9.1523 117.5671 53.5914 35.4896 173.4864 24 E 4.9186 8.5508 118.5739 54.3807 32.2393 176.0576 25 V 4.7795 8.8619 123.6224 60.2819 35.4272 174.1060 26 S 5.1537 9.2334 120.5031 57.0022 64.9868 173.1528 27 V 4.5565 8.4903 124.8176 60.0166 34.2008 172.9593 28 P 3.8477 0.0000 0.0000 62.9622 31.8620 177.0496 29 F 4.0296 9.0002 126.3280 61.3360 39.3760 177.1027 30 E 3.6902 8.0547 118.3168 59.3632 28.9579 178.7711 31 I 3.6609 7.4821 119.2343 64.3090 36.9759 177.6118 32 Y 3.5527 7.3679 119.5141 60.6385 38.7204 178.0674 33 S 4.0107 7.6299 114.0459 61.3841 63.0247 175.8154 34 N 4.5379 7.6551 119.1144 54.7646 38.3439 175.3554 35 E 4.5181 7.4059 119.3305 55.4397 32.7997 173.7584 36 H 5.1604 8.2913 120.7920 53.9054 31.5866 172.6261 37 R 4.2797 9.2512 121.8232 54.7204 31.3611 175.3424 38 I 4.3308 8.3306 126.8961 59.9109 37.4842 174.8374 39 A 4.3309 8.1299 128.0932 51.9994 20.3216 176.0443 40 D 5.0313 8.0296 113.1765 52.7151 44.5977 175.3569 41 A 4.5377 8.4508 121.8076 53.0852 19.8917 177.9814 42 H 4.9631 7.8655 116.4271 53.8013 26.8102 173.2420 43 Y 4.6687 6.7810 116.2161 55.9697 41.3760 175.1085 44 Q 4.6892 9.1223 117.6488 54.9443 32.7613 173.7950 45 T 5.4819 8.5302 113.6921 60.6188 70.6764 172.7763 46 F 5.2120 8.9661 122.6532 54.5701 41.5500 172.0329 47 P 5.3647 0.0000 0.0000 61.7319 33.1587 174.6230 48 S 4.5658 7.9148 113.6954 57.7538 65.5898 175.5733 49 E 4.0915 9.0125 120.4780 58.5136 29.5104 177.6607 50 K 4.5708 7.5820 115.3345 53.7236 35.0695 175.5635 51 A 3.3015 7.5669 124.0014 52.0263 18.4163 177.9601 52 A 4.0007 8.2540 126.9450 53.8520 18.9150 176.9589 53 Y 5.1104 7.0802 112.2838 56.3375 40.6521 176.3235 54 T 3.9328 8.7017 118.5413 67.2177 68.7945 175.2599 55 T 4.2026 7.9145 120.5806 63.3307 69.3735 173.6886 56 V 4.7574 8.1880 127.0083 60.5922 33.6304 175.3527 57 V 3.9859 8.7894 129.6483 63.7187 31.4781 175.7723 58 T 4.1875 9.3397 119.9964 63.6299 69.6220 174.4865 59 D 4.8932 7.5589 119.8400 49.7575 43.0879 175.4230 60 A 4.0891 8.7706 119.1340 55.6327 18.1536 179.5706 61 A 3.9758 8.0745 118.7186 55.3717 18.5311 179.2014 62 D 4.3351 8.5497 116.6192 57.0979 41.2719 178.3640 63 W 4.5630 8.3302 128.9758 60.6138 30.8395 177.9533 64 R 3.5744 8.0507 118.0459 59.6289 29.3719 179.0669 65 T 3.7621 7.7790 115.0112 66.7281 68.3086 176.9777 66 K 3.9613 7.8066 118.8871 59.2652 32.4989 178.6174 67 N 3.7736 7.9176 117.4129 56.4490 38.5149 176.7829 68 A 4.0350 7.6402 121.6481 55.0300 18.3498 179.2467 69 A 4.1170 7.6024 119.6923 54.0704 18.2221 179.1464 70 M 3.9298 7.1974 115.8066 56.6929 31.8253 176.8706 71 F 4.9661 7.1823 116.0450 57.1380 40.5544 174.3769 72 T 4.4027 7.6844 119.6352 62.2673 69.2898 172.6188 73 P 4.9979 0.0000 0.0000 62.4094 32.6198 175.6835 74 T 4.7922 8.9938 112.7349 58.9369 72.7331 171.3864 75 P 4.8653 0.0000 0.0000 62.5364 32.1482 177.0257 76 V 3.9396 8.6650 122.7666 62.0620 31.3799 175.9396 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 G 8.34 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 3 G 8.55 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.89 4.92 0.00 2.72 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 5 V 8.82 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.82 0.00 0.00 6 N 8.64 4.93 0.00 1.44 1.91 0.00 0.00 6.47 6.96 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 7 I 8.85 4.92 1.94 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 0.96 0.66 0.98 0.00 0.00 8 K 9.04 4.95 0.00 1.97 1.81 0.00 1.77 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.35 7.81 9 T 8.79 4.67 4.19 0.00 0.00 0.00 0.00 0.00 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 10 F 8.18 5.41 0.00 3.04 2.90 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 11 T 8.92 4.86 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 1.22 0.00 0.00 12 H 8.34 4.82 0.00 3.07 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.82 0.00 2.00 2.05 0.00 3.70 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 2.06 2.12 0.00 14 A 8.20 4.60 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 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 16 E 8.45 4.07 0.00 1.94 1.90 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 2.30 2.34 0.00 17 G 9.20 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 K 7.93 5.29 0.00 1.86 1.67 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.34 7.81 19 E 9.44 5.06 0.00 2.02 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 2.32 2.23 0.00 20 V 8.52 4.56 1.84 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 0.96 0.00 0.00 0.94 0.00 0.00 21 K 8.67 4.45 0.00 1.66 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.43 7.81 22 G 8.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.15 5.03 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 24 E 8.55 4.92 0.00 1.38 1.12 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 0.00 1.68 2.01 0.00 25 V 8.86 4.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.11 0.00 0.00 26 S 9.23 5.15 0.00 3.68 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 4.56 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.34 0.00 0.00 28 P 0.00 3.85 0.00 1.93 1.64 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 29 F 9.00 4.03 0.00 2.99 2.99 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 0.00 0.00 0.00 30 E 8.05 3.69 0.00 2.08 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 2.35 2.41 0.00 31 I 7.48 3.66 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 1.52 0.82 0.95 0.00 0.00 32 Y 7.37 3.55 0.00 2.45 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.01 0.00 3.75 3.05 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 34 N 7.66 4.54 0.00 2.71 2.89 0.00 0.00 6.76 7.26 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 35 E 7.41 4.52 0.00 1.90 1.84 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 2.20 2.18 0.00 36 H 8.29 5.16 0.00 3.15 2.91 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.25 4.28 0.00 1.61 1.95 0.00 3.09 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 38 I 8.33 4.33 1.92 0.00 0.00 0.95 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 0.84 1.07 0.00 0.00 39 A 8.13 4.33 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 5.03 0.00 2.97 2.73 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 41 A 8.45 4.54 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.87 4.96 0.00 3.13 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 6.78 4.67 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.12 4.69 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 45 T 8.53 5.48 4.44 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 1.32 0.00 0.00 46 F 8.97 5.21 0.00 3.06 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 47 P 0.00 5.36 0.00 2.00 1.97 0.00 3.31 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 48 S 7.91 4.57 0.00 3.88 3.97 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 49 E 9.01 4.09 0.00 1.97 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 0.00 2.32 2.39 0.00 50 K 7.58 4.57 0.00 1.64 1.58 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.39 7.81 51 A 7.57 3.30 0.56 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 52 A 8.25 4.00 0.92 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 53 Y 7.08 5.11 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 3.93 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 1.23 0.00 0.00 55 T 7.91 4.20 4.46 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 1.26 0.00 0.00 56 V 8.19 4.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 57 V 8.79 3.99 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 0.99 0.00 0.00 1.14 0.00 0.00 58 T 9.34 4.19 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 1.31 0.00 0.00 59 D 7.56 4.89 0.00 2.89 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 60 A 8.77 4.09 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 61 A 8.07 3.98 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 62 D 8.55 4.34 0.00 3.05 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 63 W 8.33 4.56 0.00 3.44 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.05 3.57 0.00 2.03 1.88 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 65 T 7.78 3.76 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 66 K 7.81 3.96 0.00 1.97 1.99 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.40 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.71 7.81 67 N 7.92 3.77 0.00 1.44 2.01 0.00 0.00 7.09 8.69 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 68 A 7.64 4.03 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 69 A 7.60 4.12 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 70 M 7.20 3.93 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 71 F 7.18 4.97 0.00 2.94 2.96 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 72 T 7.68 4.40 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 1.21 0.00 0.00 73 P 0.00 5.00 0.00 1.94 1.98 0.00 3.63 0.00 0.00 3.92 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 74 T 8.99 4.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 75 P 0.00 4.87 0.00 1.95 2.03 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 76 V 8.67 3.94 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 0.68 0.00 0.00 0.98 0.00 0.00