NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3113 8.2649 123.5816 51.8518 19.9532 176.3046 4 L 4.1805 8.2045 121.8011 53.0551 42.8313 175.3221 5 A 4.1250 8.4372 125.1949 51.3343 19.9981 177.0756 6 K 3.8548 8.5384 122.1781 56.1786 32.3830 175.2209 7 P 4.6098 0.0000 0.0000 61.2822 32.6981 175.4662 8 Q 4.0761 8.4118 120.0221 56.8257 29.2280 175.7321 9 M 4.7574 8.5653 121.5927 54.5712 33.9637 175.5046 10 R 4.6302 7.7037 117.2482 55.0333 33.2978 175.5778 11 G 4.0411 8.6481 106.6188 46.6581 0.0000 176.0691 12 L 3.9772 7.3102 118.5942 57.1168 41.5897 178.8127 13 L 3.9616 7.8795 119.9013 57.9705 42.2011 178.6384 14 A 4.0007 7.9184 120.3169 55.0175 18.3981 179.2022 15 R 3.8499 8.1488 117.3622 59.8182 30.2136 178.7118 16 R 3.9888 7.9221 117.9775 59.1953 30.0200 178.1762 17 L 3.9784 7.9584 120.2270 58.1241 42.1651 179.0217 18 R 3.8244 8.1862 118.4899 59.4878 30.2786 177.8717 19 F 3.9745 8.1015 120.5639 61.9759 39.2689 176.7840 20 H 4.3943 8.4236 114.4081 57.7185 28.6976 177.7810 21 I 3.8040 7.8070 122.3044 64.1176 36.8622 178.4632 22 V 3.7015 7.8282 119.3469 65.8196 31.2691 178.2717 23 G 3.4698 7.7618 104.8823 47.7371 0.0000 175.5404 24 A 3.9750 8.0592 122.5594 54.6379 18.6948 179.0109 25 F 4.2726 8.5961 119.6573 61.9203 39.5551 177.1160 26 M 3.8784 8.4469 118.3728 58.6329 31.8053 179.0610 27 V 3.6180 8.0194 118.2237 65.8433 31.4909 178.3457 28 S 4.1005 7.9161 115.0784 61.5603 62.8237 176.1689 29 L 3.9051 7.6915 121.2487 58.1856 41.3254 179.9950 30 G 3.5780 7.8778 104.9716 47.6848 0.0000 175.6366 31 F 4.3099 8.5718 122.9384 60.7263 39.3732 176.9663 32 A 3.8295 8.4825 120.9486 55.6306 17.9556 179.3331 33 T 3.8137 7.6842 112.5206 67.1831 68.8401 176.1646 34 F 4.2721 8.1620 122.0149 61.3246 39.3573 176.5941 35 Y 3.5021 8.2076 119.6766 59.9951 38.3758 176.7583 36 K 4.2637 8.0702 118.0133 56.3358 32.9826 177.3491 37 F 4.6908 7.6173 119.6904 59.5837 44.5128 175.3543 38 A 3.6464 7.7344 120.3482 52.3970 19.3373 176.9646 39 V 3.8266 7.2587 113.3952 63.7158 33.5609 177.5831 40 A 3.8786 7.4930 120.5906 55.2425 18.4047 179.3620 41 E 3.8667 7.8653 116.6608 59.1509 29.5895 178.9404 42 K 3.6248 7.2246 119.4826 59.6873 32.1109 178.7079 43 R 3.9094 7.8943 118.5354 59.4706 30.0785 178.6171 44 K 4.0650 8.0642 118.3542 59.3066 31.9923 179.3243 45 K 3.9673 8.5301 120.2303 59.1482 32.1429 178.5507 46 A 3.9094 8.1412 121.2808 55.6936 18.2936 179.3357 47 Y 3.6711 8.2443 114.7465 60.9007 37.9105 178.6165 48 A 4.1234 8.2730 121.7806 55.3686 18.3521 179.3590 49 D 4.3270 8.4774 116.4686 57.4496 40.9520 178.5671 50 F 4.0544 8.0041 119.9564 61.4893 39.7144 176.4100 51 Y 4.4221 8.1092 115.3638 59.6115 37.6197 177.5424 52 R 4.0537 7.7675 119.8566 58.9270 30.1755 177.5682 53 N 5.0272 7.7653 113.2086 52.8011 39.5393 173.9350 54 Y 4.0164 8.0005 119.7741 57.4155 39.5491 174.9688 55 D 4.5775 7.9076 125.7116 52.2952 43.2755 176.6663 56 S 3.7247 8.1036 123.1488 60.9923 63.3920 176.0523 57 M 4.1244 7.9267 122.4089 58.0177 31.7298 178.4585 58 K 4.0819 8.0787 119.5268 59.1291 32.3777 178.2548 59 D 4.3233 7.9624 118.4963 57.3231 41.2097 177.7466 60 F 4.3433 8.5583 121.4619 61.6744 39.2494 176.7200 61 E 3.6768 8.8034 119.0249 59.1442 29.4525 178.5525 62 E 3.8973 8.2026 118.6362 59.7452 29.4202 179.2919 63 M 3.9075 8.1218 118.7691 58.1880 31.9206 178.8220 64 R 3.9355 8.0850 119.2496 59.4806 30.0378 178.8500 65 K 3.9465 7.9714 116.8126 58.9582 32.0959 178.5280 66 A 4.2235 7.6560 119.1140 52.5725 18.4846 178.1079 67 G 3.8330 7.8613 105.7566 45.5152 0.0000 175.0325 68 I 3.7080 6.9991 115.1726 62.4334 37.9213 176.3394 69 F 4.9723 7.4703 118.9760 56.2652 40.0918 175.9677 70 Q 4.2095 8.9582 123.3718 58.2231 28.7874 177.1850 71 S 4.6031 8.1815 109.2206 57.8273 63.8897 173.7437 72 A 4.5881 7.9543 124.0853 51.0964 21.1893 176.1872 73 K 4.2616 8.7827 121.4753 56.8682 32.5726 176.3577 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 A 8.26 4.31 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 4 L 8.20 4.18 0.00 1.72 1.59 0.92 0.51 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 5 A 8.44 4.13 1.23 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 0.00 0.00 6 K 8.54 3.85 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.61 0.00 2.20 2.03 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 8 Q 8.41 4.08 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.57 4.76 0.00 1.99 2.02 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 2.65 2.51 0.00 10 R 7.70 4.63 0.00 1.86 1.78 0.00 3.27 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 11 G 8.65 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 0.00 0.00 0.00 12 L 7.31 3.98 0.00 1.75 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.88 3.96 0.00 1.76 1.66 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.92 4.00 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 15 R 8.15 3.85 0.00 2.03 2.09 0.00 3.21 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 16 R 7.92 3.99 0.00 2.06 2.12 0.00 3.16 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 17 L 7.96 3.98 0.00 1.84 1.94 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.19 3.82 0.00 1.96 2.10 0.00 3.20 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 19 F 8.10 3.97 0.00 3.17 3.27 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 0.00 20 H 8.42 4.39 0.00 3.36 3.36 0.00 5.86 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 21 I 7.81 3.80 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.97 0.91 0.00 0.00 22 V 7.83 3.70 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 1.05 0.00 0.00 0.86 0.00 0.00 23 G 7.76 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.06 3.97 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 25 F 8.60 4.27 0.00 3.08 3.20 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 26 M 8.45 3.88 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 27 V 8.02 3.62 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 1.00 0.00 0.00 0.94 0.00 0.00 28 S 7.92 4.10 0.00 4.05 3.84 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 0.00 0.00 0.00 29 L 7.69 3.91 0.00 1.54 1.58 0.36 0.35 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 30 G 7.88 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.57 4.31 0.00 3.13 3.23 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 32 A 8.48 3.83 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 33 T 7.68 3.81 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 1.15 0.00 0.00 34 F 8.16 4.27 0.00 3.09 3.06 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 0.00 35 Y 8.21 3.50 0.00 2.28 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.26 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.56 7.81 37 F 7.62 4.69 0.00 2.90 3.05 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 38 A 7.73 3.65 0.72 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 0.00 0.00 39 V 7.26 3.83 0.80 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 0.55 0.00 0.00 0.49 0.00 0.00 40 A 7.49 3.88 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 41 E 7.87 3.87 0.00 1.85 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 0.00 2.56 2.31 0.00 42 K 7.22 3.62 0.00 1.47 1.57 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.33 7.81 43 R 7.89 3.91 0.00 1.99 2.07 0.00 3.09 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 44 K 8.06 4.07 0.00 1.85 1.86 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.43 7.81 45 K 8.53 3.97 0.00 1.77 1.89 0.00 1.62 0.00 0.00 1.59 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.56 7.81 46 A 8.14 3.91 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 47 Y 8.24 3.67 0.00 3.20 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 48 A 8.27 4.12 1.41 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 0.00 0.00 49 D 8.48 4.33 0.00 2.65 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 50 F 8.00 4.05 0.00 2.73 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 51 Y 8.11 4.42 0.00 3.37 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 52 R 7.77 4.05 0.00 1.98 2.01 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 53 N 7.77 5.03 0.00 2.69 2.75 0.00 0.00 6.84 7.46 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 54 Y 8.00 4.02 0.00 2.83 3.08 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 0.00 0.00 0.00 0.00 55 D 7.91 4.58 0.00 2.57 2.31 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 56 S 8.10 3.72 0.00 4.16 4.14 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 57 M 7.93 4.12 0.00 2.10 2.26 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 2.59 2.64 0.00 58 K 8.08 4.08 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 59 D 7.96 4.32 0.00 2.83 2.92 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 0.00 0.00 0.00 60 F 8.56 4.34 0.00 3.14 3.39 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 61 E 8.80 3.68 0.00 2.31 1.91 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 2.34 2.39 0.00 62 E 8.20 3.90 0.00 2.23 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 0.00 2.31 2.62 0.00 63 M 8.12 3.91 0.00 1.60 2.35 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.47 0.00 64 R 8.08 3.94 0.00 1.15 1.72 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 65 K 7.97 3.95 0.00 1.77 1.81 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 66 A 7.66 4.22 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 67 G 7.86 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 68 I 7.00 3.71 1.55 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.69 0.00 0.00 69 F 7.47 4.97 0.00 3.37 3.09 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 0.00 70 Q 8.96 4.21 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 71 S 8.18 4.60 0.00 3.96 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 72 A 7.95 4.59 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 73 K 8.78 4.26 0.00 1.76 1.72 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81