NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3478 8.1693 120.6332 54.5211 42.9966 176.0124 14 S 4.2524 8.5232 119.5256 56.5300 64.1696 172.9476 15 P 4.3183 0.0000 0.0000 64.8163 32.2450 179.4898 16 Q 3.8767 7.9679 115.3671 58.3063 28.4089 176.5821 17 Y 4.7991 7.7282 115.7574 57.3801 38.7072 175.9301 18 N 4.8347 7.9690 119.4580 51.8515 39.7890 175.4070 19 W 4.2434 8.6757 117.4580 59.2632 28.0359 178.6503 20 V 2.8262 6.8469 118.7478 65.5721 31.0612 177.5244 21 A 3.8673 8.3540 120.8670 55.5410 18.1410 179.0367 22 C 4.4607 8.6024 115.3696 60.0614 41.2063 176.6436 23 G 3.5525 8.4179 107.7676 47.6306 0.0000 175.9749 24 I 3.7023 7.9775 122.3012 64.0616 37.0726 178.1122 25 L 3.9268 7.9781 121.1659 58.1630 41.8440 178.7287 26 E 4.0168 8.5491 119.4474 59.1908 29.6486 178.8069 27 G 3.7901 8.3497 106.0621 47.9695 0.0000 175.8241 28 G 3.6963 8.3765 108.7617 47.4547 0.0000 175.8353 29 L 4.0991 8.2358 121.5110 57.2463 41.6183 179.7652 30 K 3.9395 8.3503 118.5018 59.5328 31.8540 179.3483 31 A 4.0508 8.3321 119.6749 54.7247 18.3588 178.7511 32 A 4.2744 7.9720 117.3412 52.2800 18.7471 178.0633 33 G 3.8802 7.9204 105.1281 46.2804 0.0000 175.0273 34 V 4.1878 7.7778 114.1291 60.9466 33.4655 176.0118 35 L 4.7396 7.7774 121.3533 53.3977 43.0671 174.9132 36 E 4.6757 8.7552 122.6506 54.6509 32.8025 174.0052 37 E 4.0230 8.6213 118.9542 57.0393 30.2114 176.8134 38 G 3.9814 8.6399 112.4191 46.2874 0.0000 173.1236 39 Q 4.2726 7.2349 121.0036 55.5344 29.9108 175.2646 40 Y 4.7556 8.7036 122.4358 56.8912 40.3394 176.1948 41 N 4.2023 9.1665 121.2101 57.3874 39.0157 177.0149 42 R 3.9010 7.9968 119.6788 59.6802 30.0329 178.2954 43 E 4.0082 8.2043 117.6866 59.2376 29.5210 178.8338 44 L 3.9285 7.9736 120.1388 58.1347 42.1228 178.7698 45 A 4.0082 8.1740 120.7205 55.3879 18.3010 179.5004 46 E 3.9095 8.3882 116.7681 59.4218 29.6371 179.4945 47 A 4.0248 8.1938 120.9826 55.0841 18.4625 179.7344 48 I 3.6538 8.2011 118.5235 64.5232 37.0345 178.4099 49 A 4.2058 8.2372 121.4383 55.2311 17.9635 179.4563 50 A 4.2562 7.8322 119.3979 54.8581 18.5839 179.7907 51 K 4.2531 7.9396 114.9962 58.6966 32.2869 179.1384 52 G 4.0699 7.8789 105.8568 44.5504 0.0000 174.0777 53 E 4.2295 7.7052 121.6343 56.4012 30.5253 177.1534 54 G 4.0207 8.7094 108.0924 44.8286 0.0000 172.8015 55 F 3.6842 8.6719 120.3614 61.6199 39.0909 178.4850 56 W 4.6138 8.0954 117.8323 59.8900 28.7588 178.6189 57 T 4.2126 8.0758 109.0552 64.8052 68.4129 176.4484 58 T 3.9513 7.6445 112.0742 64.8452 68.9372 176.3705 59 Q 4.0137 7.5863 119.2349 56.0796 29.0426 176.0678 60 F 4.7035 7.9149 117.7964 54.3392 41.8736 173.3374 61 P 4.3282 0.0000 0.0000 66.0196 31.1160 178.5341 62 Q 4.1804 8.2449 115.5960 59.2926 28.4455 178.5801 63 I 4.0045 7.8741 121.4843 63.9557 37.3721 178.0833 64 G 3.8303 8.3128 106.6957 48.0749 0.0000 175.1824 65 D 4.3698 8.6795 120.9152 56.6872 41.2101 177.9348 66 W 4.0724 8.4634 128.9725 60.4835 30.5660 177.1146 67 N 4.5255 8.9504 117.3233 57.0775 38.3002 176.5445 68 E 3.9784 8.2046 119.5781 59.5894 29.6160 179.1421 69 D 4.2555 8.3493 119.2104 57.5627 40.7937 178.9961 70 Q 3.6749 7.9849 118.5983 58.3851 28.4944 178.5078 71 A 3.9090 8.0938 121.9240 54.9887 18.4009 179.4752 72 A 3.8859 8.2231 119.3264 55.3402 18.4775 179.7360 73 A 3.8953 7.9564 119.2535 55.2167 18.3479 179.6679 74 L 3.9172 8.2047 118.8886 58.1442 42.1318 179.0700 75 A 4.0008 8.2340 120.9416 55.0039 18.2964 179.2371 76 D 4.3159 8.2805 117.5930 57.7825 40.9526 179.3406 77 R 4.0721 8.0919 118.2122 59.1615 29.9609 178.9235 78 A 4.0540 8.3155 120.8368 55.2055 18.2768 179.4869 79 Q 3.8832 8.2922 118.0558 59.6818 28.9346 178.4802 80 T 3.7405 7.7022 115.6072 66.7449 68.5225 175.1686 81 C 4.7035 8.0466 115.2741 56.8914 40.2670 174.1158 82 G 3.9112 8.0256 108.9853 46.5016 0.0000 174.9462 83 L 4.3604 8.1657 121.1723 55.6458 42.2843 177.1087 84 V 4.6820 7.2390 109.4477 59.3316 36.0982 175.2157 85 K 4.3788 8.7677 121.7732 55.8452 33.2695 176.9310 86 A 4.6271 8.5354 124.7803 51.9940 19.3006 177.1286 87 D 4.4340 8.6888 120.2666 54.2656 41.8013 177.0178 88 T 4.1591 8.1767 112.2429 61.7586 68.9626 174.1910 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 13 L 8.17 4.35 0.00 1.68 1.74 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.52 4.25 0.00 4.08 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 15 P 0.00 4.32 0.00 2.13 2.08 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 16 Q 7.97 3.88 0.00 1.58 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.44 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 17 Y 7.73 4.80 0.00 3.01 2.93 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 18 N 7.97 4.83 0.00 3.03 2.97 0.00 0.00 6.77 8.47 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 19 W 8.68 4.24 0.00 3.63 3.37 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 0.00 20 V 6.85 2.83 1.63 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 0.76 0.00 0.00 -0.87 0.00 0.00 21 A 8.35 3.87 1.24 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 0.00 0.00 0.00 22 C 8.60 4.46 0.00 3.15 3.24 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 0.00 23 G 8.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.70 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.89 0.00 0.00 25 L 7.98 3.93 0.00 1.77 1.89 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.55 4.02 0.00 2.16 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 2.33 2.35 0.00 27 G 8.35 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 28 G 8.38 3.70 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 0.00 0.00 0.00 29 L 8.24 4.10 0.00 1.72 1.74 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.35 3.94 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.64 7.81 31 A 8.33 4.05 1.35 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 32 A 7.97 4.27 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 33 G 7.92 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 34 V 7.78 4.19 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 0.72 0.00 0.00 1.01 0.00 0.00 35 L 7.78 4.74 0.00 1.59 1.57 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.76 4.68 0.00 2.06 1.89 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 2.20 2.22 0.00 37 E 8.62 4.02 0.00 2.05 1.82 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 2.35 2.33 0.00 38 G 8.64 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 0.00 0.00 0.00 0.00 39 Q 7.23 4.27 0.00 2.23 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 40 Y 8.70 4.76 0.00 3.10 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 41 N 9.17 4.20 0.00 2.95 3.05 0.00 0.00 7.11 7.69 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 42 R 8.00 3.90 0.00 2.05 1.95 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 43 E 8.20 4.01 0.00 2.29 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 0.00 2.47 2.50 0.00 44 L 7.97 3.93 0.00 1.95 1.85 0.99 1.29 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 45 A 8.17 4.01 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 46 E 8.39 3.91 0.00 2.21 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 0.00 2.34 2.59 0.00 47 A 8.19 4.02 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 48 I 8.20 3.65 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.93 0.00 0.00 49 A 8.24 4.21 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 50 A 7.83 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.25 0.00 1.94 1.93 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.62 7.81 52 G 7.88 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 0.00 0.00 0.00 53 E 7.71 4.23 0.00 2.23 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 2.38 2.55 0.00 54 G 8.71 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.67 3.68 0.00 2.93 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 56 W 8.10 4.61 0.00 3.55 3.30 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 57 T 8.08 4.21 4.34 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 1.37 0.00 0.00 58 T 7.64 3.95 4.09 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 0.00 0.00 1.22 0.00 0.00 59 Q 7.59 4.01 0.00 1.88 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 60 F 7.91 4.70 0.00 3.27 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 61 P 0.00 4.33 0.00 2.22 2.18 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 62 Q 8.24 4.18 0.00 2.35 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 63 I 7.87 4.00 2.35 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 0.98 0.00 0.00 64 G 8.31 3.83 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 0.00 0.00 0.00 65 D 8.68 4.37 0.00 2.90 2.93 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 66 W 8.46 4.07 0.00 3.62 3.38 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 67 N 8.95 4.53 0.00 3.18 3.18 0.00 0.00 7.28 7.23 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 68 E 8.20 3.98 0.00 2.19 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 0.00 2.57 2.53 0.00 69 D 8.35 4.26 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 3.67 0.00 1.31 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 8.09 3.91 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 72 A 8.22 3.89 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 73 A 7.96 3.90 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 74 L 8.20 3.92 0.00 1.84 1.79 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.23 4.00 1.46 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 0.00 0.00 0.00 76 D 8.28 4.32 0.00 2.92 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 77 R 8.09 4.07 0.00 2.08 2.18 0.00 3.19 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 78 A 8.32 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.29 3.88 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 80 T 7.70 3.74 4.06 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 0.00 0.00 0.43 0.00 0.00 81 C 8.05 4.70 0.00 3.26 3.21 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 82 G 8.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.17 4.36 0.00 1.72 1.75 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.24 4.68 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 0.72 0.00 0.00 0.96 0.00 0.00 85 K 8.77 4.38 0.00 1.42 1.74 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.15 7.81 86 A 8.54 4.63 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 87 D 8.69 4.43 0.00 2.67 2.56 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 88 T 8.18 4.16 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 1.24 0.00 0.00