NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7888 8.2076 120.4764 54.4611 43.0668 173.6695 9 F 5.2700 7.9768 116.5898 55.0950 41.4813 168.4600 10 V 4.6399 9.0325 112.2575 59.5965 36.0478 176.0501 11 V 4.7820 8.8392 124.4740 61.3664 33.8291 174.5037 12 I 5.0077 8.8075 128.0530 59.4739 40.8808 173.9928 13 K 4.9052 9.0895 129.1464 54.3586 34.5443 174.8412 14 A 4.5620 8.8926 130.2512 52.0039 18.9971 177.7459 15 V 4.2788 8.7855 122.7404 63.0192 32.7603 175.0152 16 E 4.8717 7.8778 116.0818 54.5610 32.9898 174.9541 17 D 4.4007 8.6626 119.8492 54.9967 41.7432 176.5700 18 G 3.8157 8.3320 107.6619 46.2598 0.0000 174.0512 19 V 3.8663 7.4947 119.4245 62.9612 32.7996 174.3699 20 N 5.2924 9.0037 124.9346 51.5825 41.0392 173.8170 21 V 4.5171 8.7826 124.8372 61.4491 33.4350 174.1950 22 I 4.6461 8.8099 130.0488 59.3558 39.8133 174.9910 23 G 4.1428 9.0791 114.7573 44.8128 0.0000 172.4773 24 L 5.5031 8.7038 125.4924 52.9306 44.2345 176.2417 25 T 4.4042 8.7963 114.2017 61.9433 69.2630 174.0578 26 R 4.2443 7.9682 126.4527 56.2090 30.8644 175.6551 27 G 3.8197 8.7680 111.2468 44.3793 0.0000 172.9904 28 T 3.9746 8.5463 109.3079 63.9943 68.9996 174.1437 29 D 4.8609 7.8162 119.9483 52.7128 42.8069 175.8357 30 T 4.7576 8.3088 118.3573 61.8842 70.7585 173.2798 31 K 4.6675 8.8316 125.0302 55.0003 36.8668 175.3942 32 F 5.2416 8.6582 120.4854 58.0809 38.8608 175.1538 33 H 4.9041 9.0428 119.5181 56.4332 30.1519 174.5027 34 H 4.6495 7.4908 116.2103 55.3156 33.1596 172.2921 35 S 4.8598 8.3693 119.0068 56.4842 64.8313 172.3445 36 E 4.4144 9.2423 129.6182 54.7106 31.0212 174.5011 37 K 4.7842 8.5961 128.7127 55.5614 33.5854 175.4142 38 L 4.9628 9.0484 127.4617 53.1496 44.7172 176.0244 39 D 5.0201 9.0319 123.0848 52.5024 43.2278 175.9548 40 K 3.9906 8.9244 122.1115 58.4885 32.3149 177.0255 41 G 4.0120 9.3507 115.6331 45.0966 0.0000 173.4184 42 E 4.3642 7.9722 119.3896 56.0131 30.9697 175.9438 43 V 4.8685 8.2201 121.1988 61.1305 34.7707 174.4008 44 I 4.5851 8.7072 126.4795 59.1877 41.3309 173.8377 45 I 4.8423 8.3938 128.9788 59.5349 39.0910 174.7085 46 A 4.6896 8.8344 128.8500 50.1557 21.8853 175.3298 47 Q 4.8360 8.5643 120.7193 54.7419 30.7488 175.5025 48 F 4.6822 8.5752 120.3422 57.7126 38.6399 175.3601 49 T 4.7340 9.0647 111.3986 60.2658 71.9165 174.2925 50 E 4.2223 8.9129 119.9454 59.3872 29.6212 177.9968 51 H 4.6249 7.8191 113.1204 55.8779 30.1053 174.3467 52 T 5.1528 8.0582 116.7989 62.0041 69.9352 173.9305 53 S 5.0347 8.7880 120.0196 57.8771 64.7968 173.3985 54 A 5.0211 7.9663 121.7401 51.0465 22.6193 175.2809 55 I 4.9597 8.6155 121.3523 59.3204 40.7575 174.7776 56 K 4.6163 8.9258 127.6523 54.4320 35.3393 174.6579 57 V 4.7972 8.3704 125.8560 61.0423 34.0289 174.3467 58 R 4.4206 9.0891 128.5766 56.3295 32.4639 174.2857 59 G 4.1947 9.1168 112.2654 43.3716 0.0000 172.3242 60 E 4.3713 9.0465 120.4102 56.4002 30.4549 175.3365 61 A 4.9659 8.9017 127.5505 50.8397 23.5297 174.1680 62 L 4.7707 8.6528 122.4775 53.6319 44.2492 175.3188 63 I 5.0684 8.5954 126.6526 59.5917 40.4084 174.4235 64 Q 5.2890 9.3104 125.9125 54.4088 32.1842 174.8525 65 T 4.7641 8.8173 112.5638 59.5129 72.4747 174.2345 66 A 3.8321 8.4349 123.3527 55.4700 18.0470 178.0016 67 Y 4.7170 7.4990 110.7540 57.6339 39.0363 174.7750 68 G 3.9644 7.5347 105.8850 44.2120 0.0000 172.5793 69 E 5.1807 8.6104 120.5889 55.2779 32.0288 175.5547 70 M 4.8055 8.8074 121.4569 53.9387 36.1902 173.3243 71 K 5.1077 8.6992 127.0796 54.8612 34.0862 175.6316 72 S 4.6532 8.9536 122.5350 57.7949 64.9547 173.4830 73 E 4.7540 8.5279 120.9845 54.8185 31.1861 176.0321 74 K 4.1451 8.6849 120.4404 56.7008 32.8277 177.3121 75 K 4.1324 9.0225 122.2793 57.2573 32.4502 176.7328 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 8 D 8.21 4.79 0.00 2.80 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 9 F 7.98 5.27 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 10 V 9.03 4.64 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 0.58 0.00 0.00 0.82 0.00 0.00 11 V 8.84 4.78 2.14 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 1.00 0.00 0.00 1.15 0.00 0.00 12 I 8.81 5.01 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.55 0.89 0.00 0.00 13 K 9.09 4.91 0.00 1.78 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 8.89 4.56 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 15 V 8.79 4.28 2.19 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 0.89 0.00 0.00 0.93 0.00 0.00 16 E 7.88 4.87 0.00 1.94 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 2.16 2.31 0.00 17 D 8.66 4.40 0.00 2.58 2.64 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 18 G 8.33 3.82 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 0.00 0.00 0.00 19 V 7.49 3.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 20 N 9.00 5.29 0.00 2.70 2.63 0.00 0.00 6.28 7.20 0.00 0.00 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 V 8.78 4.52 2.03 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 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.81 4.65 1.41 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.35 -0.15 0.00 0.00 23 G 9.08 4.14 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 0.00 24 L 8.70 5.50 0.00 1.78 1.72 1.78 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.80 4.40 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 R 7.97 4.24 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.77 3.82 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 0.00 0.00 0.00 28 T 8.55 3.97 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 29 D 7.82 4.86 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.76 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 1.30 0.00 0.00 31 K 8.83 4.67 0.00 1.78 1.80 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 32 F 8.66 5.24 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 33 H 9.04 4.90 0.00 3.12 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.49 4.65 0.00 3.31 3.10 0.00 5.80 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 35 S 8.37 4.86 0.00 3.79 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 36 E 9.24 4.41 0.00 2.10 1.77 0.00 0.00 0.00 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 2.28 0.00 37 K 8.60 4.78 0.00 1.76 1.67 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 L 9.05 4.96 0.00 1.54 1.50 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.03 5.02 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 3.99 0.00 1.87 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 41 G 9.35 4.01 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 0.00 0.00 0.00 42 E 7.97 4.36 0.00 2.01 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 2.31 2.39 0.00 43 V 8.22 4.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 44 I 8.71 4.59 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.54 0.88 0.00 0.00 45 I 8.39 4.84 1.66 0.00 0.00 0.77 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 0.57 0.45 0.00 0.00 46 A 8.83 4.69 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.56 4.84 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.58 4.68 0.00 3.02 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 49 T 9.06 4.73 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 1.30 0.00 0.00 50 E 8.91 4.22 0.00 1.87 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 2.31 2.40 0.00 51 H 7.82 4.62 0.00 3.19 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.06 5.15 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 S 8.79 5.03 0.00 3.77 4.07 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 0.00 0.00 0.00 0.00 54 A 7.97 5.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.96 1.83 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.86 0.00 0.00 56 K 8.93 4.62 0.00 1.68 1.39 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.33 7.81 57 V 8.37 4.80 2.06 0.00 0.00 0.00 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 0.90 0.00 0.00 58 R 9.09 4.42 0.00 1.85 1.71 0.00 3.14 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.12 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 0.00 0.00 0.00 0.00 60 E 9.05 4.37 0.00 2.06 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 2.37 2.32 0.00 61 A 8.90 4.97 1.22 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 0.00 0.00 0.00 62 L 8.65 4.77 0.00 1.75 1.54 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.60 5.07 2.07 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 1.22 0.89 0.91 0.00 0.00 64 Q 9.31 5.29 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 65 T 8.82 4.76 3.98 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 1.16 0.00 0.00 66 A 8.43 3.83 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 67 Y 7.50 4.72 0.00 2.99 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 68 G 7.53 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 69 E 8.61 5.18 0.00 1.87 1.88 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 2.25 2.30 0.00 70 M 8.81 4.81 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 71 K 8.70 5.11 0.00 1.80 1.68 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.53 7.81 72 S 8.95 4.65 0.00 3.96 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 73 E 8.53 4.75 0.00 1.87 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 2.27 2.28 0.00 74 K 8.68 4.15 0.00 1.64 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.47 7.81 75 K 9.02 4.13 0.00 1.85 1.80 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.39 7.81