NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3528 8.4449 121.4523 54.5314 31.8361 175.7357 8 K 4.7861 8.0081 118.5654 56.2137 35.2885 175.1243 9 K 4.7537 8.6615 121.6773 55.7275 33.7922 175.4995 10 Y 5.2780 8.8061 121.3735 56.3807 43.3543 174.2149 11 I 4.9242 9.4789 122.1868 59.7046 40.5860 174.8967 12 V 4.1953 9.2347 129.2421 61.3121 32.8387 174.8443 13 G 2.6241 7.9088 116.7023 44.9511 0.0000 172.4268 14 F 5.2651 9.5612 124.8471 56.2164 40.7925 175.6196 15 K 4.3888 8.7942 121.7767 56.1179 33.2713 177.0038 16 Q 4.8735 8.8689 122.0811 57.6118 29.8101 177.2603 17 T 4.4097 7.6551 113.5021 63.0221 69.0607 175.4435 18 M 4.2416 7.8894 121.1263 57.7957 33.0689 175.5282 19 S 4.6490 7.5479 119.0947 59.0435 70.0800 175.9701 20 T 4.8505 9.2598 116.6887 62.0897 71.1659 172.9894 21 M 4.5095 7.9765 122.5714 56.1299 35.0189 176.5551 22 S 4.1870 7.6069 113.4039 58.3043 65.3689 175.0775 23 A 4.3016 8.7128 126.4610 54.8806 18.2510 180.0447 24 A 3.9538 7.8056 118.8686 54.7600 18.5414 179.6888 25 K 3.8282 8.0211 118.4673 59.5109 31.7965 179.0459 26 K 3.0566 8.5133 119.9917 59.1848 31.7575 179.2057 27 K 3.9419 7.9901 119.6300 59.4528 32.1066 178.5193 28 D 4.2343 7.8941 117.8723 57.3973 40.6703 178.0148 29 V 3.6438 8.1727 119.2006 66.4795 31.2694 177.8756 30 I 3.7969 7.6324 118.8307 64.1599 37.2972 178.3906 31 S 4.3811 8.3244 116.4652 60.9564 62.4363 176.3392 32 E 4.0641 8.4900 121.9592 58.2548 28.8179 177.7679 33 K 4.4067 7.3406 114.2135 56.0518 32.5184 177.3367 34 G 3.8760 7.9996 105.3956 46.1127 0.0000 174.6975 35 G 3.9171 7.9580 107.3129 45.1831 0.0000 173.6941 36 K 4.8315 8.9028 121.4471 53.6759 34.4732 175.1933 37 V 3.6256 8.4623 126.1083 63.1446 30.9269 175.0122 38 Q 4.3632 9.6765 125.6260 56.4172 29.3815 175.4847 39 K 4.3839 8.4298 119.7515 54.9454 36.0013 174.9180 40 Q 4.4019 8.5889 127.3911 54.6674 29.7301 175.4705 41 F 4.7294 8.1683 124.1499 57.6708 39.0773 176.1369 42 K 3.9686 8.9821 124.2614 58.8411 32.4545 176.9879 43 Y 4.6712 7.8204 113.5877 59.0459 40.2058 176.4373 44 V 3.8929 7.8358 119.0323 62.7343 32.4159 176.1577 45 D 4.9691 8.7581 128.9987 52.6146 39.1807 173.9165 46 A 4.9661 7.7982 121.7572 51.4745 23.5620 176.0483 47 A 4.4730 8.7200 120.1579 49.9315 23.2590 175.8785 48 S 4.8121 8.3204 116.0760 58.2551 64.6325 173.2146 49 A 5.0544 9.2925 124.6249 50.6548 23.2676 175.0907 50 T 4.8095 9.0489 117.6062 62.4479 69.8792 174.0767 51 L 5.0374 8.8319 127.0485 52.6108 45.5834 177.0621 52 N 4.8184 8.6586 120.9226 51.7042 38.9664 175.3812 53 E 3.9124 8.6936 118.0701 59.0963 29.3371 178.7071 54 K 3.8498 8.3225 119.5366 59.4841 32.3649 178.6123 55 A 4.2351 8.1336 121.8664 54.4092 18.0978 179.6644 56 V 3.1729 7.5838 116.6049 66.0538 31.4231 178.3116 57 K 3.9007 7.5691 117.5452 59.3558 32.1684 178.3773 58 E 4.0830 8.6739 119.3048 59.4596 29.2029 179.3441 59 L 3.9456 8.2375 119.4126 57.6730 41.3951 179.7186 60 K 3.9392 8.1088 117.9431 58.9400 32.0552 178.6844 61 K 4.2611 7.5231 116.5286 55.9827 32.9297 176.7390 62 D 4.4459 7.4194 121.0117 53.2076 41.5982 175.2566 63 P 4.3673 0.0000 0.0000 65.3324 31.5409 177.1177 64 S 4.9497 8.3585 113.8148 58.2638 63.4273 173.2453 65 V 4.5144 7.5428 120.9457 61.2779 32.1104 175.1681 66 A 4.6246 9.0780 130.2293 54.0319 20.2047 176.7904 67 Y 4.8650 7.0984 110.6310 56.1156 41.4146 174.3479 68 V 4.9368 8.4675 120.5835 61.4404 34.2208 174.0825 69 E 5.0146 9.3803 125.5443 54.2584 33.3095 174.9783 70 E 3.7728 8.6577 120.8712 56.5153 30.3029 177.2305 71 D 4.6174 8.5442 125.0682 53.1914 39.7915 175.6804 72 H 4.3300 8.3895 120.5124 55.4826 29.6638 174.8429 73 V 4.2549 8.2072 120.4057 61.0794 32.9525 174.8875 74 A 4.7521 8.4144 129.5100 50.4551 21.3992 174.8303 75 H 4.8661 7.7935 114.4159 53.0859 31.7997 172.9814 76 A 4.0454 8.2451 123.4183 52.0251 18.9960 177.4272 77 Y 4.5524 8.4137 119.5299 58.3726 38.0756 175.5471 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 7 E 8.44 4.35 0.00 1.94 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 2.23 2.30 0.00 8 K 8.01 4.79 0.00 1.84 1.90 0.00 2.04 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.36 7.81 9 K 8.66 4.75 0.00 1.65 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.47 7.81 10 Y 8.81 5.28 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.48 4.92 2.13 0.00 0.00 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 1.32 1.08 1.28 0.00 0.00 12 V 9.23 4.20 1.78 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 0.26 0.00 0.00 0.79 0.00 0.00 13 G 7.91 2.62 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 14 F 9.56 5.27 0.00 3.15 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 15 K 8.79 4.39 0.00 1.79 1.74 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.40 7.81 16 Q 8.87 4.87 0.00 2.24 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 17 T 7.66 4.41 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 1.22 0.00 0.00 18 M 7.89 4.24 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 19 S 7.55 4.65 0.00 3.93 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 20 T 9.26 4.85 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 0.81 0.00 0.00 21 M 7.98 4.51 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 22 S 7.61 4.19 0.00 3.98 3.93 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 23 A 8.71 4.30 1.26 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 0.00 0.00 0.00 24 A 7.81 3.95 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 25 K 8.02 3.83 0.00 1.81 1.84 0.00 1.50 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 26 K 8.51 3.06 0.00 1.69 1.13 0.00 1.46 0.00 0.00 1.09 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.88 7.81 27 K 7.99 3.94 0.00 2.04 1.91 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.54 7.81 28 D 7.89 4.23 0.00 2.91 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.17 3.64 2.16 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 30 I 7.63 3.80 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.50 0.90 0.00 0.00 31 S 8.32 4.38 0.00 4.03 4.13 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 0.00 0.00 0.00 0.00 32 E 8.49 4.06 0.00 2.11 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 0.00 2.53 2.47 0.00 33 K 7.34 4.41 0.00 1.77 1.73 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.47 7.81 34 G 8.00 3.88 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 0.00 0.00 0.00 35 G 7.96 3.92 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 0.00 36 K 8.90 4.83 0.00 1.75 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.49 7.81 37 V 8.46 3.63 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 0.73 0.00 0.00 0.94 0.00 0.00 38 Q 9.68 4.36 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 39 K 8.43 4.38 0.00 1.80 1.51 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.53 7.81 40 Q 8.59 4.40 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 41 F 8.17 4.73 0.00 3.19 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 42 K 8.98 3.97 0.00 1.59 1.54 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.40 1.11 7.81 43 Y 7.82 4.67 0.00 2.95 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 44 V 7.84 3.89 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 0.92 0.00 0.00 0.88 0.00 0.00 45 D 8.76 4.97 0.00 2.96 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 46 A 7.80 4.97 1.62 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 47 A 8.72 4.47 1.21 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 48 S 8.32 4.81 0.00 3.90 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 A 9.29 5.05 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 50 T 9.05 4.81 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 51 L 8.83 5.04 0.00 1.30 1.33 0.86 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.66 4.82 0.00 2.95 2.96 0.00 0.00 5.89 7.66 0.00 0.00 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 E 8.69 3.91 0.00 2.06 2.00 0.00 0.00 0.00 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 2.38 0.00 54 K 8.32 3.85 0.00 1.90 2.05 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.57 7.81 55 A 8.13 4.24 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 56 V 7.58 3.17 1.32 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 0.84 0.00 0.00 -0.26 0.00 0.00 57 K 7.57 3.90 0.00 1.77 1.78 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.50 7.81 58 E 8.67 4.08 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 59 L 8.24 3.95 0.00 1.65 1.59 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.11 3.94 0.00 1.91 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 61 K 7.52 4.26 0.00 1.67 1.84 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 62 D 7.42 4.45 0.00 2.79 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 63 P 0.00 4.37 0.00 2.22 2.18 0.00 3.81 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 2.00 2.00 0.00 64 S 8.36 4.95 0.00 4.12 4.03 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 65 V 7.54 4.51 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 0.57 0.00 0.00 0.78 0.00 0.00 66 A 9.08 4.62 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 67 Y 7.10 4.86 0.00 3.02 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 68 V 8.47 4.94 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 0.76 0.00 0.00 0.80 0.00 0.00 69 E 9.38 5.01 0.00 2.09 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 2.50 2.40 0.00 70 E 8.66 3.77 0.00 1.46 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.07 0.00 71 D 8.54 4.62 0.00 2.55 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 72 H 8.39 4.33 0.00 3.15 3.18 0.00 5.74 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 73 V 8.21 4.25 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 0.80 0.00 0.00 0.93 0.00 0.00 74 A 8.41 4.75 1.14 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 75 H 7.79 4.87 0.00 3.12 3.16 0.00 5.53 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 76 A 8.25 4.05 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 77 Y 8.41 4.55 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00