NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1695 8.1733 122.0400 56.2956 33.7973 174.5016 9 S 5.0838 8.2251 121.7592 56.4826 66.1562 173.5334 10 F 5.3425 9.1072 120.8943 54.0357 40.1345 173.8305 11 P 4.5072 0.0000 0.0000 64.6764 32.0742 179.3897 12 E 4.0103 8.2978 118.8101 58.8156 29.6701 178.7750 13 V 3.5861 7.5995 118.4793 64.5635 31.9009 175.5742 14 V 4.1996 7.5956 119.0257 62.3835 28.6720 174.0534 15 G 3.8273 7.3663 117.5815 45.4605 0.0000 171.7534 16 K 4.4112 7.8011 117.1353 55.3865 33.1040 177.5119 17 T 4.5793 8.2802 112.3016 60.8232 71.7182 175.8690 18 V 3.4830 8.1214 119.5610 66.3500 31.3328 177.6629 19 D 4.1761 7.8819 118.0233 57.5498 40.5197 178.2040 20 Q 3.9343 8.0469 118.0340 58.8452 28.7800 178.2194 21 A 4.2270 8.0223 121.3599 55.4836 18.5538 179.4150 22 R 4.0028 8.1831 117.2210 59.6887 30.1264 177.8788 23 E 3.8997 8.1311 118.8901 60.5693 29.5222 177.4551 24 Y 4.0250 8.5885 116.9464 60.9363 38.4004 178.3049 25 F 3.8542 8.4641 117.3228 61.1035 39.4156 178.3232 26 T 3.9205 7.8426 113.7274 66.4959 68.2604 176.5042 27 L 4.1216 7.5497 119.8310 57.9909 41.9954 178.8918 28 H 3.9807 8.2845 115.5467 57.8263 30.2364 175.8970 29 Y 5.5034 7.7953 116.5580 54.5830 37.8235 174.7652 30 P 4.3589 0.0000 0.0000 65.4610 32.1471 178.7246 31 Q 4.0169 8.2384 116.6635 58.1535 28.6982 175.1492 32 Y 5.1883 7.8639 115.7637 56.2098 40.8830 175.2812 33 N 4.5738 9.5967 121.9710 52.7781 39.9132 173.9387 34 V 4.9114 7.7181 119.5644 58.9839 33.7993 175.2223 35 Y 4.5512 7.6427 121.1128 56.0255 41.9058 174.1344 36 F 5.1578 9.0362 121.7632 55.8165 41.2597 174.9228 37 L 4.6293 8.9555 123.0973 51.8492 46.7589 174.1096 38 P 4.3521 0.0000 0.0000 62.4784 32.2462 175.7522 39 E 4.1021 8.8472 123.4360 58.4598 29.5685 177.8469 40 G 3.8121 8.4455 110.3498 45.0396 0.0000 173.7986 41 S 4.2630 8.0653 116.3129 57.8590 63.4265 172.3219 42 P 4.5145 0.0000 0.0000 62.5275 32.0383 175.7092 43 V 4.5427 7.8411 113.2201 59.2769 35.8110 175.1182 44 T 4.0381 8.1918 111.2682 62.0933 69.1381 174.6654 45 R 4.3645 8.3340 124.3610 56.5849 30.5775 175.7348 46 D 4.8372 7.8110 116.4277 51.6861 41.9815 175.0119 47 L 4.7374 8.1458 118.8048 52.8428 43.9391 176.4975 48 R 4.5836 8.2060 122.0377 54.6499 32.8883 176.0573 49 Y 4.3325 8.8681 120.3435 59.6005 38.5436 175.6949 50 N 5.2428 8.3128 116.1822 52.5050 39.1485 173.6771 51 R 5.0795 7.9622 120.9465 54.8899 32.7091 174.5600 52 V 4.4595 8.9037 126.2498 60.9524 34.4589 174.0893 53 R 4.6440 8.3784 126.3729 54.2764 32.3321 175.2846 54 V 4.0660 7.8751 124.7592 60.9902 33.3763 174.2131 55 F 5.1129 8.5883 127.5375 56.6265 40.7378 174.6686 56 Y 5.4201 8.5288 120.7613 55.3225 42.2617 173.3195 57 N 5.2358 9.0613 118.3433 51.3438 40.9639 172.2687 58 P 4.6472 0.0000 0.0000 65.1589 31.2027 174.3924 59 G 4.0254 8.8529 115.8758 45.3773 0.0000 174.7287 60 T 3.7444 8.5985 118.4636 64.7692 69.4002 174.5682 61 N 4.6848 8.0020 116.7448 53.0007 38.3324 172.7835 62 V 4.3600 7.5294 117.4469 60.6425 31.5341 175.2205 63 V 4.3687 9.2608 128.0760 63.7503 30.3603 175.2152 64 N 4.8685 8.1166 125.6418 52.2271 37.7317 174.8435 65 H 4.7154 7.7863 112.7526 55.2929 32.6988 173.6723 66 V 3.8838 8.5198 124.0813 62.5160 31.9337 173.8659 67 P 4.7346 0.0000 0.0000 62.8955 32.4342 175.1685 68 H 5.5667 8.4629 118.0368 53.6163 31.8111 173.2663 69 V 3.7868 8.4355 120.2406 63.6957 32.5551 176.3383 70 G 3.8831 8.5017 113.7976 45.6110 0.0000 173.8004 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 K 8.17 4.17 0.00 1.73 1.52 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.02 7.81 9 S 8.23 5.08 0.00 3.84 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 10 F 9.11 5.34 0.00 3.20 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.25 2.35 0.00 3.77 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 2.11 2.01 0.00 12 E 8.30 4.01 0.00 1.81 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 2.47 2.43 0.00 13 V 7.60 3.59 2.07 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 1.12 0.00 0.00 0.75 0.00 0.00 14 V 7.60 4.20 2.13 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 0.83 0.00 0.00 1.05 0.00 0.00 15 G 7.37 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 16 K 7.80 4.41 0.00 1.89 1.74 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.39 1.43 7.81 17 T 8.28 4.58 4.27 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 1.19 0.00 0.00 18 V 8.12 3.48 1.56 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 0.44 0.00 0.00 0.11 0.00 0.00 19 D 7.88 4.18 0.00 2.64 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 20 Q 8.05 3.93 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 21 A 8.02 4.23 1.74 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 0.00 0.00 22 R 8.18 4.00 0.00 1.33 1.70 0.00 3.11 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 23 E 8.13 3.90 0.00 2.40 2.12 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 2.33 2.35 0.00 24 Y 8.59 4.02 0.00 2.95 2.97 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 25 F 8.46 3.85 0.00 3.51 3.14 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 26 T 7.84 3.92 4.48 0.00 0.00 0.00 0.00 0.00 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 27 L 7.55 4.12 0.00 1.87 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.28 3.98 0.00 1.70 1.84 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.80 5.50 0.00 3.34 3.34 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 0.00 30 P 0.00 4.36 0.00 2.18 2.21 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 31 Q 8.24 4.02 0.00 1.92 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 1.31 1.80 0.00 32 Y 7.86 5.19 0.00 2.80 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 33 N 9.60 4.57 0.00 2.79 2.89 0.00 0.00 7.27 8.10 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 34 V 7.72 4.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 35 Y 7.64 4.55 0.00 2.67 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 36 F 9.04 5.16 0.00 3.08 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 37 L 8.96 4.63 0.00 1.20 1.35 0.68 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.35 0.00 2.02 1.95 0.00 3.53 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 39 E 8.85 4.10 0.00 2.14 2.30 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 2.33 2.29 0.00 40 G 8.45 3.81 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 0.00 0.00 0.00 41 S 8.07 4.26 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 42 P 0.00 4.51 0.00 2.14 2.02 0.00 3.44 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 1.97 2.08 0.00 43 V 7.84 4.54 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 0.83 0.00 0.00 0.98 0.00 0.00 44 T 8.19 4.04 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 1.15 0.00 0.00 45 R 8.33 4.36 0.00 1.80 1.96 0.00 3.32 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 46 D 7.81 4.84 0.00 2.73 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 47 L 8.15 4.74 0.00 1.49 1.15 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.21 4.58 0.00 1.81 1.81 0.00 3.11 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 49 Y 8.87 4.33 0.00 3.07 3.03 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 50 N 8.31 5.24 0.00 2.92 3.12 0.00 0.00 5.75 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 51 R 7.96 5.08 0.00 1.97 1.96 0.00 2.95 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 52 V 8.90 4.46 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 0.32 0.00 0.00 0.36 0.00 0.00 53 R 8.38 4.64 0.00 1.47 1.24 0.00 3.11 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 54 V 7.88 4.07 1.55 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 1.12 0.00 0.00 0.38 0.00 0.00 55 F 8.59 5.11 0.00 3.10 2.97 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 56 Y 8.53 5.42 0.00 3.11 3.16 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 0.00 0.00 0.00 0.00 57 N 9.06 5.24 0.00 3.13 2.82 0.00 0.00 7.65 7.33 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 58 P 0.00 4.65 0.00 2.16 2.15 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 59 G 8.85 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 0.00 0.00 0.00 60 T 8.60 3.74 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 1.23 0.00 0.00 61 N 8.00 4.68 0.00 3.03 2.74 0.00 0.00 6.93 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 62 V 7.53 4.36 2.13 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 0.97 0.00 0.00 1.04 0.00 0.00 63 V 9.26 4.37 2.33 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 1.11 0.00 0.00 1.17 0.00 0.00 64 N 8.12 4.87 0.00 2.63 2.99 0.00 0.00 6.79 7.78 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 65 H 7.79 4.72 0.00 3.28 3.30 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.52 3.88 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 0.88 0.00 0.00 1.00 0.00 0.00 67 P 0.00 4.73 0.00 2.42 1.94 0.00 3.93 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 68 H 8.46 5.57 0.00 3.17 3.25 0.00 5.73 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 69 V 8.44 3.79 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 0.83 0.00 0.00 0.77 0.00 0.00 70 G 8.50 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