NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4303 0.0000 0.0000 62.4510 33.5344 174.7644 2 Y 4.7297 8.7464 121.2752 55.4347 40.1556 169.7175 3 V 4.4617 9.9402 126.8298 61.4029 34.4036 173.9312 4 T 5.1699 8.7384 124.4367 61.8469 70.8755 173.7598 5 V 4.2640 9.1707 126.9658 61.0772 33.8214 174.1067 6 K 5.1109 8.6736 130.4041 55.0966 33.2489 174.9416 7 M 4.8299 8.9481 124.4153 53.3851 35.1642 174.4653 8 L 4.5911 8.2934 119.2689 54.6312 42.5091 177.1632 9 E 3.9695 8.4625 121.5654 57.0751 30.1725 176.6355 10 G 4.0130 8.5299 110.6383 45.5666 0.0000 173.8473 11 R 4.7809 7.6814 118.0797 53.9266 32.9411 176.6853 12 T 4.1781 9.2762 112.4221 61.4877 70.9533 175.4231 13 D 4.3627 8.5503 120.6696 57.3661 41.1561 178.4115 14 E 3.9563 8.0697 118.9365 59.4699 29.5651 178.9302 15 Q 3.9889 8.2751 118.1790 58.9780 28.7114 179.2455 16 K 3.9834 8.0139 119.2788 59.3230 32.0843 179.4425 17 R 3.9562 8.0935 121.6297 60.0555 29.9648 179.0270 18 N 4.3923 8.4554 119.4910 57.0548 37.5021 178.9643 19 L 4.0968 8.0925 122.5951 58.2478 42.2079 179.3038 20 V 3.6109 7.8362 120.4626 66.7525 31.4196 178.1396 21 E 3.9253 8.1240 117.9218 60.9986 29.4890 180.7838 22 K 4.0264 8.4910 119.5066 59.5212 32.3389 179.6271 23 V 3.5719 8.0601 118.4717 66.4006 31.4076 178.1566 24 T 3.8359 7.9189 115.4759 66.5145 68.2275 176.3241 25 E 3.8935 8.2199 121.0947 59.1377 29.2241 178.5529 26 A 3.9833 8.2884 121.2449 55.2797 18.4560 179.8319 27 V 3.6069 7.7780 116.5959 65.7139 31.7510 178.1324 28 K 3.8885 8.1635 119.7643 59.3975 31.8714 178.2385 29 E 4.2794 8.0787 115.8974 58.0174 30.0307 177.6789 30 T 4.4252 7.4670 108.1605 61.9533 69.7842 175.0018 31 T 4.3923 7.4608 109.1484 60.3198 69.7849 174.3422 32 G 3.8734 7.8339 108.0796 46.4168 0.0000 173.7486 33 A 4.1834 7.3903 121.0614 51.0994 19.2188 178.4689 34 S 4.2174 8.4121 116.5547 57.7850 63.5961 174.2490 35 E 3.8582 9.1511 129.0856 59.5191 29.1979 178.4080 36 E 4.1615 8.1130 112.3047 57.4741 29.6284 176.9874 37 K 4.1979 7.9830 118.6661 56.5142 33.0057 176.0233 38 I 4.2107 7.3634 120.9999 60.1127 37.8409 175.3029 39 V 4.1864 8.1935 127.9317 60.8161 33.9156 174.4989 40 V 4.8140 7.9415 126.2766 61.0297 34.2659 174.3069 41 F 5.0237 9.5347 126.1575 55.7348 42.1120 174.1427 42 I 4.9511 8.5611 123.3482 59.6012 39.4029 174.7538 43 E 4.6623 9.5304 126.3573 54.6428 32.4701 174.7246 44 E 5.0496 8.8748 124.3423 55.5538 31.2934 175.5814 45 M 4.6858 8.7982 123.4147 53.7304 35.2144 175.3180 46 R 4.8925 8.2743 120.3646 54.5319 31.7857 177.9110 47 K 4.0648 8.8082 121.9161 59.4225 32.1617 177.3088 48 D 4.8368 7.9441 115.0273 53.0968 39.6214 176.1171 49 H 4.9668 8.9071 115.2855 55.5678 30.1565 172.4803 50 Y 4.8375 7.9865 120.7599 55.7953 41.1065 173.8949 51 A 4.9287 8.2495 128.7320 50.2657 22.5777 174.9838 52 V 4.1439 7.8036 118.0822 62.3237 34.6026 175.1883 53 A 3.4198 9.6590 128.4082 53.2607 15.9137 178.2384 54 G 3.8967 8.7097 108.9262 47.3526 0.0000 174.9403 55 K 4.5646 7.7180 121.7472 52.1664 34.7051 181.3316 56 R 4.4603 8.3568 123.2087 54.9476 30.7480 177.9451 57 L 4.0160 8.6949 122.0686 57.4784 41.6739 179.5093 58 S 4.3115 8.1139 112.4706 60.0666 63.3844 174.9094 59 D 4.8751 8.1550 120.6214 54.1324 40.7895 175.4969 60 M 4.8355 7.5888 120.4956 53.5447 35.6302 176.2940 61 E 4.1743 8.6867 114.8296 56.4496 29.8393 177.5908 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 P 0.00 4.43 0.00 2.00 2.01 0.00 3.47 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 2 Y 8.75 4.73 0.00 3.03 3.18 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 3 V 9.94 4.46 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 1.00 0.00 0.00 0.93 0.00 0.00 4 T 8.74 5.17 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 1.25 0.00 0.00 5 V 9.17 4.26 2.11 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 0.94 0.00 0.00 0.95 0.00 0.00 6 K 8.67 5.11 0.00 1.77 1.64 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.37 7.81 7 M 8.95 4.83 0.00 2.02 2.04 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 2.45 2.49 0.00 8 L 8.29 4.59 0.00 1.53 1.63 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.46 3.97 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 2.33 2.52 0.00 10 G 8.53 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 11 R 7.68 4.78 0.00 1.76 1.82 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 12 T 9.28 4.18 4.38 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 1.21 0.00 0.00 13 D 8.55 4.36 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 3.96 0.00 2.09 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 2.39 2.45 0.00 15 Q 8.28 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.01 3.98 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.64 7.81 17 R 8.09 3.96 0.00 1.89 2.07 0.00 3.08 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 18 N 8.46 4.39 0.00 2.76 2.81 0.00 0.00 6.66 6.98 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 19 L 8.09 4.10 0.00 1.85 1.94 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.84 3.61 2.20 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 0.88 0.00 0.00 0.95 0.00 0.00 21 E 8.12 3.93 0.00 2.04 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 2.24 2.23 0.00 22 K 8.49 4.03 0.00 1.96 1.89 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.50 7.81 23 V 8.06 3.57 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 24 T 7.92 3.84 4.37 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 1.16 0.00 0.00 25 E 8.22 3.89 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 26 A 8.29 3.98 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 27 V 7.78 3.61 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 0.95 0.00 0.00 0.94 0.00 0.00 28 K 8.16 3.89 0.00 1.94 1.93 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.57 7.81 29 E 8.08 4.28 0.00 2.17 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 0.00 2.57 2.30 0.00 30 T 7.47 4.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 T 7.46 4.39 4.24 0.00 0.00 0.00 0.00 0.00 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 32 G 7.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.39 4.18 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 34 S 8.41 4.22 0.00 3.85 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 35 E 9.15 3.86 0.00 2.00 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 2.35 2.29 0.00 36 E 8.11 4.16 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 37 K 7.98 4.20 0.00 1.83 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.49 7.81 38 I 7.36 4.21 1.86 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 1.02 0.62 0.82 0.00 0.00 39 V 8.19 4.19 1.71 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 0.24 0.00 0.00 0.73 0.00 0.00 40 V 7.94 4.81 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 0.90 0.00 0.00 0.85 0.00 0.00 41 F 9.53 5.02 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.56 4.95 1.91 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 1.36 0.60 0.92 0.00 0.00 43 E 9.53 4.66 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 44 E 8.87 5.05 0.00 1.84 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 2.24 2.33 0.00 45 M 8.80 4.69 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 46 R 8.27 4.89 0.00 1.74 1.93 0.00 3.08 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 47 K 8.81 4.06 0.00 1.77 2.02 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 48 D 7.94 4.84 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.91 4.97 0.00 3.23 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.99 4.84 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.25 4.93 1.11 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 52 V 7.80 4.14 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 0.88 0.00 0.00 0.54 0.00 0.00 53 A 9.66 3.42 1.31 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 0.00 0.00 0.00 54 G 8.71 3.90 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 0.00 0.00 0.00 55 K 7.72 4.56 0.00 1.67 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.23 7.81 56 R 8.36 4.46 0.00 2.00 1.88 0.00 3.34 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 57 L 8.69 4.02 0.00 1.96 1.78 0.71 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.11 4.31 0.00 4.02 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 0.00 59 D 8.16 4.88 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 60 M 7.59 4.84 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 61 E 8.69 4.17 0.00 1.98 1.73 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 2.23 1.88 0.00