NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 S 4.3916 8.3193 115.4165 58.3262 64.4074 170.4158 25 H 4.2210 8.7352 112.6258 51.2776 28.1849 172.6069 26 P 4.4004 0.0000 0.0000 62.1722 32.9383 177.3480 27 T 4.0725 8.7307 109.5850 61.9829 70.3480 174.6592 28 Y 3.6870 8.7224 119.1069 61.2904 37.9219 179.1652 29 S 4.1746 8.1468 115.7032 61.5565 62.9035 176.3640 30 E 4.0107 7.5528 121.7390 59.4077 29.3090 179.1152 31 M 3.9017 7.8301 118.7824 58.2814 31.8838 178.9403 32 I 3.7206 7.8177 119.7568 64.3386 37.2722 178.2441 33 A 3.9446 7.9140 121.1306 55.1464 18.1458 179.5972 34 A 3.8679 8.0957 119.0453 55.2497 18.2673 179.7811 35 A 2.6750 7.7325 118.2425 54.7401 18.6455 179.7698 36 I 3.8691 7.7173 119.7450 64.1796 37.0607 178.9765 37 R 3.9008 7.8806 117.1309 58.8366 29.9166 178.4373 38 A 4.3334 7.6894 119.0188 52.4140 18.6152 176.6557 39 E 4.3591 8.0164 119.2451 54.3476 29.8884 174.8409 40 K 4.8600 8.3977 125.0581 54.8997 35.7783 176.2178 41 S 4.3439 8.5031 110.0519 56.7673 60.8802 170.0939 42 R 3.9151 8.4455 120.6283 56.5659 28.9844 178.1129 43 G 3.9354 8.7065 115.6588 48.2258 0.0000 173.2733 44 G 4.4852 7.1584 107.4418 47.2660 0.0000 173.8187 45 S 4.7610 8.2936 122.0438 58.9075 65.1511 173.9995 46 S 4.5627 8.2135 116.6990 57.3816 65.7103 174.4729 47 R 4.1069 8.2253 117.1535 59.7940 29.6732 178.7415 48 Q 3.9703 8.0448 118.9859 59.2147 29.2114 177.8538 49 S 4.1737 7.8455 115.9679 61.9549 62.8924 176.9378 50 I 3.7946 7.8025 122.0719 64.4726 36.7930 178.2333 51 Q 4.0507 8.3638 120.4749 59.2168 28.9328 178.2552 52 K 4.1192 8.2851 120.3370 58.9212 32.2769 178.2319 53 Y 4.0040 8.2420 120.1852 60.8670 38.4214 178.1487 54 I 4.0983 8.4493 121.1286 64.4193 36.9472 178.6427 55 K 4.0532 7.9355 118.7103 58.7792 31.9363 178.6674 56 S 4.4438 7.7414 112.1851 59.3045 63.7669 175.0593 57 H 4.2889 7.5905 117.7441 54.7982 29.0101 173.7967 58 Y 4.6581 6.7734 117.0150 56.3980 41.9764 175.4022 59 K 4.3173 8.5948 122.0943 55.5936 31.2121 176.7828 60 V 4.5500 7.9918 122.3642 59.5312 33.5937 176.4861 61 G 4.1942 7.7496 108.7399 45.1977 0.0000 174.0841 62 H 4.4135 8.8941 115.4818 58.0002 29.2685 175.4355 63 N 4.9252 7.4744 115.4101 52.9830 39.2157 177.4047 64 A 4.1299 8.2146 121.7689 55.4836 18.6632 179.0693 65 D 4.4845 8.1136 116.8396 57.6581 40.9151 179.0122 66 L 3.9403 7.7967 118.7297 57.9985 41.7370 179.5371 67 Q 3.7309 7.6285 118.0626 58.5985 28.4640 178.8150 68 I 3.7569 8.0249 121.2827 64.2256 37.2467 177.9588 69 K 3.7553 8.1398 120.6705 59.7815 31.8088 178.1867 70 L 3.9003 8.1729 120.5680 58.3327 41.8589 178.9745 71 S 4.0814 8.1223 112.9576 61.3161 62.2483 176.2035 72 I 3.4738 8.2478 122.9680 64.2149 36.7868 178.2822 73 R 3.8626 7.8982 118.9473 59.6695 29.9421 179.1158 74 R 4.0692 7.7559 117.0932 58.6900 30.1548 178.9433 75 L 4.0605 8.1551 119.1379 57.1998 41.6644 179.5401 76 L 4.0364 8.1605 119.3936 57.8624 41.4444 179.0914 77 A 3.9980 7.7516 118.9692 55.3477 18.3009 179.2689 78 A 4.1349 7.9276 118.2383 53.1192 18.4538 178.3158 79 G 3.7907 7.8333 104.4042 46.3088 0.0000 175.0523 80 V 3.8570 8.1943 121.6094 64.9640 32.6339 175.8096 81 L 4.9479 7.7606 118.8679 53.6344 42.7250 176.3229 82 K 4.7268 8.9333 122.5524 54.7055 35.2881 175.1534 83 Q 4.8429 8.6511 123.7641 55.7590 29.8549 175.2695 84 T 4.6682 8.7716 113.6101 61.5583 70.7989 173.7164 85 K 4.2890 7.9261 119.8362 56.7673 36.7294 177.2525 86 G 3.4802 9.3821 110.7603 44.9696 0.0000 173.2098 87 V 4.2578 7.6744 120.2060 63.1265 33.4117 174.5686 88 G 3.8178 9.2120 113.6152 44.0020 0.0000 172.5959 89 A 4.0942 8.4925 120.3427 54.2920 18.3123 178.1235 90 S 4.6508 7.5639 112.4935 57.8500 62.6952 173.0901 91 G 3.9926 7.3103 113.1457 46.3947 0.0000 169.8887 92 S 4.5001 7.7394 115.8547 56.6816 66.9490 173.6055 93 F 5.4155 8.6233 121.1033 56.1941 44.1418 173.1463 94 R 5.0137 8.6218 115.7758 54.4303 33.3781 174.2598 95 L 4.6998 8.4526 118.6756 54.4278 42.4969 177.1293 96 A 4.5469 8.9778 124.8474 51.5329 19.9731 177.9267 97 K 4.0638 8.1664 117.0920 57.4143 32.4468 176.0342 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 24 S 8.32 4.39 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.74 4.22 0.00 3.31 3.54 0.00 5.55 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 26 P 0.00 4.40 0.00 2.20 2.09 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.91 0.00 27 T 8.73 4.07 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 1.22 0.00 0.00 28 Y 8.72 3.69 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 29 S 8.15 4.17 0.00 3.86 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 30 E 7.55 4.01 0.00 2.27 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 2.30 2.31 0.00 31 M 7.83 3.90 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.44 0.00 32 I 7.82 3.72 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.87 0.00 0.00 33 A 7.91 3.94 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 34 A 8.10 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.73 2.68 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 36 I 7.72 3.87 1.98 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 1.58 1.43 0.96 0.00 0.00 37 R 7.88 3.90 0.00 1.72 1.96 0.00 3.14 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 38 A 7.69 4.33 1.05 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 0.00 0.00 0.00 0.00 0.00 39 E 8.02 4.36 0.00 1.94 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 0.00 2.26 2.23 0.00 40 K 8.40 4.86 0.00 1.75 1.67 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 41 S 8.50 4.34 0.00 4.02 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 0.00 42 R 8.45 3.92 0.00 1.88 1.89 0.00 3.08 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 43 G 8.71 3.94 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 0.00 0.00 0.00 44 G 7.16 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.76 0.00 3.85 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 46 S 8.21 4.56 0.00 3.92 3.95 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 0.00 0.00 0.00 47 R 8.23 4.11 0.00 2.28 2.06 0.00 3.16 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 48 Q 8.04 3.97 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 49 S 7.85 4.17 0.00 4.12 3.95 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 0.00 0.00 0.00 50 I 7.80 3.79 2.12 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 1.46 0.81 0.99 0.00 0.00 51 Q 8.36 4.05 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 52 K 8.29 4.12 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 53 Y 8.24 4.00 0.00 3.07 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 54 I 8.45 4.10 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.00 0.96 0.00 0.00 55 K 7.94 4.05 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.74 7.81 56 S 7.74 4.44 0.00 3.85 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 57 H 7.59 4.29 0.00 2.24 2.39 0.00 5.84 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 6.77 4.66 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.32 0.00 1.79 1.84 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.49 7.81 60 V 7.99 4.55 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 0.79 0.00 0.00 0.76 0.00 0.00 61 G 7.75 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 0.00 0.00 0.00 0.00 62 H 8.89 4.41 0.00 3.17 3.40 0.00 5.88 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.47 4.93 0.00 2.70 2.78 0.00 0.00 6.72 6.92 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 64 A 8.21 4.13 1.45 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 0.00 0.00 0.00 65 D 8.11 4.48 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.94 0.00 1.63 1.65 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.63 3.73 0.00 1.27 0.88 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 2.08 2.43 0.00 68 I 8.02 3.76 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.92 0.98 0.00 0.00 69 K 8.14 3.76 0.00 2.06 1.96 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.62 7.81 70 L 8.17 3.90 0.00 1.80 1.79 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.12 4.08 0.00 4.02 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 72 I 8.25 3.47 1.72 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 1.03 0.38 0.20 0.00 0.00 73 R 7.90 3.86 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 74 R 7.76 4.07 0.00 1.77 1.94 0.00 3.20 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 75 L 8.16 4.06 0.00 1.60 1.63 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.16 4.04 0.00 1.95 1.68 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.75 4.00 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 78 A 7.93 4.13 1.37 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 0.00 0.00 79 G 7.83 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 80 V 8.19 3.86 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 0.91 0.00 0.00 0.91 0.00 0.00 81 L 7.76 4.95 0.00 1.47 1.53 0.46 0.83 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 82 K 8.93 4.73 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.37 7.81 83 Q 8.65 4.84 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 84 T 8.77 4.67 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 1.21 0.00 0.00 85 K 7.93 4.29 0.00 1.62 1.59 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.36 7.81 86 G 9.38 3.48 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 0.00 0.00 0.00 0.00 87 V 7.67 4.26 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 0.70 0.00 0.00 0.94 0.00 0.00 88 G 9.21 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.56 4.65 0.00 4.06 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 91 G 7.31 3.99 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 0.00 0.00 0.00 92 S 7.74 4.50 0.00 3.51 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 93 F 8.62 5.42 0.00 2.96 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 94 R 8.62 5.01 0.00 1.80 2.01 0.00 2.78 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 95 L 8.45 4.70 0.00 1.56 1.63 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.98 4.55 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 97 K 8.17 4.06 0.00 1.82 1.72 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81