NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4145 0.0000 0.0000 62.3515 32.4579 176.5495 4 R 4.4773 8.1854 125.4346 53.6249 33.0158 173.3490 5 P 4.2186 0.0000 0.0000 65.8959 32.2480 178.4633 6 L 3.8654 7.8983 116.9617 57.4491 41.4651 179.2255 7 D 4.3038 8.1178 119.4145 57.4111 40.5792 178.8492 8 V 3.5889 7.6320 116.9223 65.5864 31.7826 177.3217 9 L 3.9025 7.4614 120.2946 58.1782 41.8964 178.5521 10 N 4.4715 7.8039 116.8237 56.6962 38.7057 176.5496 11 R 4.1896 7.8353 117.5912 57.7826 30.3738 177.7905 12 S 4.7936 7.6860 115.9660 56.1114 63.3421 173.5841 13 L 4.3895 7.3136 123.3686 56.2498 41.6350 177.7041 14 K 4.1104 9.2171 122.7593 56.2256 30.2252 176.0407 15 S 5.0356 7.6816 114.2389 55.4561 66.2738 172.0839 16 P 4.7081 0.0000 0.0000 63.5982 32.7758 175.2832 17 V 4.8413 8.9215 113.8600 60.5708 37.2536 173.2799 18 I 4.9759 9.2376 122.3170 59.7312 40.1793 175.0084 19 V 4.6474 8.7758 127.2593 61.0019 34.1263 174.1299 20 R 4.6641 8.1999 127.5147 54.4859 32.2308 174.6492 21 L 5.3204 8.3029 124.6093 52.3476 45.3732 176.3676 22 K 4.0128 8.3867 120.1131 57.8034 32.8944 179.0437 23 G 3.9712 8.9834 108.8983 45.2605 0.0000 173.7164 24 G 3.7854 7.5521 110.3143 46.0250 0.0000 175.1974 25 R 4.3520 7.9349 118.5637 56.1969 31.4663 175.8044 26 E 5.2637 8.9978 120.0301 54.7341 34.2586 174.8322 27 F 5.1952 9.1655 119.2260 55.8936 43.4462 174.2214 28 R 5.0593 9.6399 121.3927 53.5970 33.6903 176.0026 29 G 4.2558 7.7682 109.8081 46.1354 0.0000 170.4200 30 T 4.6634 7.4693 116.2964 62.7810 69.7707 174.3705 31 L 4.2748 8.5064 129.6214 55.4282 42.5868 176.2318 32 D 4.4838 9.3597 127.1707 56.0326 42.4752 176.0040 33 G 4.3490 7.5388 103.1095 45.6718 0.0000 169.8600 34 Y 5.7731 7.8991 116.7714 58.0492 40.2260 172.2343 35 D 4.5594 8.4289 118.0557 52.1063 41.8841 175.8926 36 I 3.7020 8.3792 112.5073 63.4832 37.3697 176.0863 37 H 4.6043 8.6355 117.5851 55.5719 29.1033 175.4883 38 M 3.0902 9.4135 119.4971 56.1674 31.1888 175.4774 39 N 4.8093 8.2792 113.8648 52.9350 39.9570 174.0690 40 L 5.2966 8.6291 121.6258 52.9161 46.3243 175.5676 41 V 4.7553 8.3835 119.6501 61.3010 34.3202 174.3182 42 L 5.3284 8.8756 127.6858 52.9220 45.3433 175.3759 43 L 4.8784 8.6430 121.4602 53.9900 44.8179 175.4639 44 D 4.4491 8.4259 121.0141 55.1477 38.4801 172.5251 45 A 5.8257 8.5578 121.8896 49.0455 23.5330 175.3439 46 E 5.0558 8.6165 117.9944 54.4180 33.1464 174.8565 47 E 3.6385 8.8482 126.0254 55.3282 31.1977 175.0547 48 I 4.8452 8.8131 127.9036 59.4204 40.7179 174.1180 49 Q 4.4377 8.7697 127.9882 54.6757 31.2539 175.4238 50 N 3.9924 9.6592 124.2636 54.3220 36.0665 174.5269 51 G 4.2023 7.9741 109.3288 45.6556 0.0000 172.6014 52 E 4.3659 7.8126 118.6563 54.8864 30.6602 176.1368 53 V 4.0764 8.0602 122.0478 62.9730 32.2462 175.8129 54 V 4.3467 9.5737 124.0242 61.1357 32.4174 174.6779 55 R 4.9622 6.9364 117.7489 55.3186 29.7001 173.2624 56 K 5.0602 7.9346 119.6094 55.0299 34.9830 176.1729 57 V 4.5771 8.8451 114.0841 59.6234 35.9283 176.8703 58 G 3.6627 8.9783 112.6449 48.1383 0.0000 173.1059 59 S 5.1440 7.3042 111.7122 58.4950 64.8378 176.8023 60 V 4.5056 8.2263 113.4484 59.9154 36.5306 174.4588 61 V 4.5942 8.2013 121.9811 61.4291 33.6802 174.5412 62 I 4.3292 8.3460 129.6566 59.5944 39.3771 175.8541 63 R 4.4115 8.5377 125.9865 55.7393 30.7118 177.4642 64 G 4.2621 9.7741 112.8775 47.7040 0.0000 174.5318 65 D 4.5041 8.1462 114.9740 55.6026 41.2923 176.1672 66 T 4.5086 8.2726 113.9776 63.6325 70.4688 173.9596 67 V 4.2750 7.8400 122.2178 62.3838 32.4745 175.0408 68 V 4.3231 8.2913 126.9012 64.2428 32.5756 175.4568 69 F 5.0276 7.1281 112.8623 55.9279 41.1246 172.5105 70 V 5.2018 8.5357 118.9369 61.3429 34.4058 174.5863 71 S 4.9416 9.2052 121.1505 56.0094 66.6907 171.6928 72 P 4.9389 0.0000 0.0000 62.6555 32.4565 176.0782 73 A 4.3412 7.9275 121.9983 52.4314 19.1077 176.4804 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 P 0.00 4.41 0.00 2.05 1.71 0.00 3.58 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 1.92 2.07 0.00 4 R 8.19 4.48 0.00 1.91 2.04 0.00 3.24 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 5 P 0.00 4.22 0.00 2.17 2.08 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 L 7.90 3.87 0.00 1.70 1.76 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.12 4.30 0.00 2.95 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 8 V 7.63 3.59 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 0.80 0.00 0.00 0.91 0.00 0.00 9 L 7.46 3.90 0.00 1.54 0.90 0.79 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.80 4.47 0.00 3.01 3.02 0.00 0.00 7.31 7.68 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 11 R 7.84 4.19 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 12 S 7.69 4.79 0.00 3.99 3.85 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 0.00 0.00 0.00 13 L 7.31 4.39 0.00 1.70 1.67 1.03 1.21 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 14 K 9.22 4.11 0.00 1.92 2.05 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 15 S 7.68 5.04 0.00 3.90 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 16 P 0.00 4.71 0.00 2.16 2.24 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 8.92 4.84 2.21 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 0.82 0.00 0.00 0.99 0.00 0.00 18 I 9.24 4.98 1.97 0.00 0.00 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 1.16 0.78 0.96 0.00 0.00 19 V 8.78 4.65 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 0.96 0.00 0.00 0.93 0.00 0.00 20 R 8.20 4.66 0.00 0.82 0.66 0.00 2.94 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.38 0.00 21 L 8.30 5.32 0.00 1.57 1.53 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.39 4.01 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 23 G 8.98 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 0.00 0.00 0.00 24 G 7.55 3.79 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 0.00 0.00 0.00 25 R 7.93 4.35 0.00 1.77 1.77 0.00 3.05 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 26 E 9.00 5.26 0.00 1.92 1.75 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 2.14 2.20 0.00 27 F 9.17 5.20 0.00 2.95 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 28 R 9.64 5.06 0.00 1.76 1.81 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 29 G 7.77 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 0.00 0.00 0.00 0.00 30 T 7.47 4.66 4.36 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 1.23 0.00 0.00 31 L 8.51 4.27 0.00 1.77 1.72 1.06 1.48 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 32 D 9.36 4.48 0.00 2.67 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 33 G 7.54 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 0.00 0.00 0.00 0.00 34 Y 7.90 5.77 0.00 2.95 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 35 D 8.43 4.56 0.00 2.85 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 36 I 8.38 3.70 1.81 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 1.37 0.45 0.92 0.00 0.00 37 H 8.64 4.60 0.00 3.42 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 9.41 3.09 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 39 N 8.28 4.81 0.00 2.98 2.72 0.00 0.00 6.79 6.74 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 40 L 8.63 5.30 0.00 1.53 1.52 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.38 4.76 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 1.04 0.00 0.00 0.91 0.00 0.00 42 L 8.88 5.33 0.00 1.51 1.50 0.81 0.69 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 43 L 8.64 4.88 0.00 1.56 1.53 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.43 4.45 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 45 A 8.56 5.83 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 5.06 0.00 1.86 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 2.28 2.28 0.00 47 E 8.85 3.64 0.00 1.49 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 48 I 8.81 4.85 1.78 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 1.02 0.64 0.93 0.00 0.00 49 Q 8.77 4.44 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 50 N 9.66 3.99 0.00 2.88 2.75 0.00 0.00 7.08 7.58 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 51 G 7.97 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.81 4.37 0.00 2.00 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 2.27 2.36 0.00 53 V 8.06 4.08 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 0.78 0.00 0.00 0.90 0.00 0.00 54 V 9.57 4.35 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 0.84 0.00 0.00 0.92 0.00 0.00 55 R 6.94 4.96 0.00 2.13 2.13 0.00 3.03 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 0.00 56 K 7.93 5.06 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.42 7.81 57 V 8.85 4.58 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 0.76 0.00 0.00 1.19 0.00 0.00 58 G 8.98 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.30 5.14 0.00 3.88 3.80 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 60 V 8.23 4.51 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 0.62 0.00 0.00 0.60 0.00 0.00 61 V 8.20 4.59 2.04 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 0.78 0.00 0.00 0.89 0.00 0.00 62 I 8.35 4.33 1.76 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.36 0.84 0.00 0.00 63 R 8.54 4.41 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 64 G 9.77 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 0.00 0.00 0.00 0.00 65 D 8.15 4.50 0.00 2.64 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 66 T 8.27 4.51 4.45 0.00 0.00 0.00 0.00 0.00 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 67 V 7.84 4.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 68 V 8.29 4.32 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 1.03 0.00 0.00 0.92 0.00 0.00 69 F 7.13 5.03 0.00 3.12 3.12 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 0.00 0.00 0.00 70 V 8.54 5.20 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 0.88 0.00 0.00 0.93 0.00 0.00 71 S 9.21 4.94 0.00 3.92 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 72 P 0.00 4.94 0.00 2.11 2.10 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 73 A 7.93 4.34 1.28 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 0.00 0.00 0.00