NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4911 8.3049 120.3773 54.9039 33.7531 173.1841 2 I 3.0396 7.1860 118.6579 58.7340 37.4292 168.7726 3 V 3.0761 8.4678 123.6694 61.8400 32.9475 173.8173 4 P 4.3385 0.0000 0.0000 61.2930 31.1511 176.6817 5 V 3.5103 8.2874 123.6660 64.1868 31.9801 173.9100 6 R 3.7062 8.4854 127.3098 56.2837 29.1514 175.6625 7 C 4.1543 8.1698 119.6656 58.4846 32.8789 173.8010 8 F 4.6422 8.2741 123.5021 58.7539 37.2662 177.3740 9 S 3.6498 8.2228 118.4258 63.4003 64.3807 175.2724 10 C 4.2963 7.9794 118.2870 59.3819 42.0598 175.1336 11 G 3.8205 8.2647 106.3125 44.1595 0.0000 173.9133 12 K 4.0362 8.0413 122.0330 55.7112 32.9026 176.1205 13 V 3.9175 8.0967 124.9430 64.2490 31.7492 176.1946 14 V 4.3139 7.9564 121.2833 63.8522 32.9001 174.2174 15 G 3.7724 8.2559 110.0172 47.7177 0.0000 175.6274 16 D 4.5174 8.3388 119.4647 56.4492 40.1424 178.8138 17 K 4.0312 8.1527 119.9497 58.8968 31.9132 177.2010 18 W 4.5897 8.5865 128.7396 60.5263 30.3628 177.1129 19 E 3.7488 8.4441 116.9621 59.7992 29.2833 179.6990 20 S 4.0487 8.0717 114.1598 61.8486 62.7593 175.8626 21 Y 3.9026 8.2158 120.7510 60.7037 38.6959 177.6060 22 L 3.4796 8.1763 121.4048 57.5930 41.8998 178.4028 23 N 4.3838 7.6522 116.7174 56.0292 38.6877 176.7604 24 L 4.1149 7.5863 116.0400 56.2642 41.1364 177.3779 25 L 4.3717 8.1250 117.6274 55.8768 44.5838 178.4232 26 Q 3.8788 7.7225 122.1553 59.4569 29.4335 178.2071 27 E 3.9578 7.8577 117.7614 58.2889 29.0525 178.8991 28 D 4.3931 8.9962 119.9743 57.7236 40.9888 179.1759 29 E 3.8834 8.4535 116.4839 58.9657 24.8713 175.2785 30 L 4.8623 7.7757 123.4077 52.5695 45.8158 175.2532 31 D 4.9667 7.9315 117.7160 52.1467 42.1565 175.7297 32 E 3.2152 9.1620 114.5640 57.8920 30.2546 181.2449 33 G 3.8680 8.3520 110.5394 48.2056 0.0000 175.5149 34 T 3.8775 8.1646 119.1205 65.6437 68.2258 177.0898 35 A 3.8763 7.8715 123.0866 55.6424 19.0327 178.9960 36 L 4.0516 8.5092 117.2129 57.7408 41.6457 179.9698 37 S 4.1829 8.2679 114.2868 61.8875 62.8406 177.2463 38 R 3.9440 7.7614 120.0595 59.3385 29.9691 178.0142 39 L 4.2384 8.4348 116.9770 55.8123 41.7061 177.7487 40 G 3.9521 8.0342 107.6775 45.2111 0.0000 173.9025 41 L 4.0937 7.6280 118.2565 55.0118 40.8628 176.2307 42 K 4.2468 8.6785 125.1539 57.6693 32.8243 176.8711 43 R 4.7179 7.6952 115.3459 54.3173 31.1944 176.2802 44 Y 4.1554 9.5150 120.1751 60.4343 37.2499 177.5793 45 C 3.5785 7.3386 112.8553 62.4874 29.7248 173.4963 46 C 4.5366 7.9613 115.4090 55.3028 36.3913 175.5353 47 R 4.1128 7.7179 122.0611 59.2194 28.5907 177.9845 48 R 3.9166 9.0423 117.0247 59.7196 29.1959 177.8715 49 M 3.6415 8.0546 118.0957 58.7771 32.1634 178.2813 50 I 3.6497 7.4485 119.0097 64.2792 37.2777 178.0873 51 L 4.0955 7.0101 119.0130 57.1911 41.9017 177.0394 52 T 4.3903 7.3154 112.2043 66.0260 70.6682 174.1217 53 H 3.7157 7.4782 118.3030 56.2181 30.0226 173.8551 54 V 4.0550 8.1422 126.4518 60.9511 32.5893 176.5271 55 D 4.6464 8.1108 132.4724 53.3388 39.8553 177.0759 56 L 3.7514 8.2468 123.0189 58.7357 42.4750 180.4831 57 I 4.0845 8.3544 117.4302 64.4315 37.8654 176.9055 58 E 3.9459 8.0051 118.5006 59.6353 29.1026 179.3243 59 K 4.0643 8.8455 119.2661 58.8924 31.8304 179.6126 60 F 4.6311 7.7359 117.2035 60.8204 39.3616 177.1119 61 L 4.2773 9.0051 119.6400 57.7365 41.1113 179.0171 62 R 4.2227 7.2597 114.0271 55.3465 29.9320 175.3848 63 Y 4.1493 8.1632 117.7591 58.8118 35.6691 175.0848 64 N 4.9553 9.0698 126.3854 53.0631 45.7800 171.0780 65 P 4.5065 0.0000 0.0000 62.8528 31.7088 176.0272 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 1 M 8.30 4.49 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 2 I 7.19 3.04 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.13 0.82 0.00 0.00 3 V 8.47 3.08 1.95 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 0.75 0.00 0.00 0.41 0.00 0.00 4 P 0.00 4.34 0.00 1.74 1.75 0.00 3.49 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 5 V 8.29 3.51 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 0.78 0.00 0.00 0.91 0.00 0.00 6 R 8.49 3.71 0.00 1.95 2.02 0.00 3.26 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 7 C 8.17 4.15 0.00 2.86 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 8 F 8.27 4.64 0.00 3.05 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 9 S 8.22 3.65 0.00 3.82 3.76 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 10 C 7.98 4.30 0.00 3.06 3.18 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 0.00 0.00 0.00 0.00 11 G 8.26 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 12 K 8.04 4.04 0.00 1.80 1.67 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.10 3.92 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 7.96 4.31 2.01 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 0.72 0.00 0.00 0.93 0.00 0.00 15 G 8.26 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.34 4.52 0.00 2.96 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 17 K 8.15 4.03 0.00 1.93 2.03 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.66 7.81 18 W 8.59 4.59 0.00 3.39 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 19 E 8.44 3.75 0.00 2.08 2.02 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 2.55 2.60 0.00 20 S 8.07 4.05 0.00 4.05 3.93 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 21 Y 8.22 3.90 0.00 2.86 3.11 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 0.00 0.00 0.00 0.00 22 L 8.18 3.48 0.00 0.44 1.08 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.65 4.38 0.00 3.07 2.73 0.00 0.00 7.03 6.68 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 24 L 7.59 4.11 0.00 1.59 1.52 0.89 0.36 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 25 L 8.12 4.37 0.00 1.55 1.36 0.63 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.72 3.88 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 27 E 7.86 3.96 0.00 2.15 1.70 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 2.36 2.28 0.00 28 D 9.00 4.39 0.00 2.57 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 29 E 8.45 3.88 0.00 1.98 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 0.00 2.26 2.50 0.00 30 L 7.78 4.86 0.00 1.65 1.51 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.93 4.97 0.00 2.79 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 32 E 9.16 3.22 0.00 2.18 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 2.51 2.60 0.00 33 G 8.35 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 0.00 0.00 0.00 34 T 8.16 3.88 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 1.21 0.00 0.00 35 A 7.87 3.88 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 36 L 8.51 4.05 0.00 1.94 1.71 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.27 4.18 0.00 3.99 3.93 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 38 R 7.76 3.94 0.00 1.83 2.18 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 8.43 4.24 0.00 1.85 1.76 1.20 1.09 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 40 G 8.03 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 0.00 0.00 0.00 41 L 7.63 4.09 0.00 1.67 1.69 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.68 4.25 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.44 7.81 43 R 7.70 4.72 0.00 2.20 2.14 0.00 3.09 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 44 Y 9.52 4.16 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 45 C 7.34 3.58 0.00 3.00 2.85 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 46 C 7.96 4.54 0.00 2.90 3.19 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 47 R 7.72 4.11 0.00 2.13 2.11 0.00 3.29 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 48 R 9.04 3.92 0.00 2.02 2.27 0.00 2.88 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.15 0.00 49 M 8.05 3.64 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 I 7.45 3.65 1.68 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 1.34 1.18 0.29 0.00 0.00 51 L 7.01 4.10 0.00 1.77 1.71 1.01 0.99 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 52 T 7.32 4.39 4.30 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 1.24 0.00 0.00 53 H 7.48 3.72 0.00 2.94 3.01 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.14 4.05 2.08 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 0.83 0.00 0.00 1.02 0.00 0.00 55 D 8.11 4.65 0.00 2.65 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 56 L 8.25 3.75 0.00 2.03 1.12 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.35 4.08 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.49 1.05 0.00 0.00 58 E 8.01 3.95 0.00 2.15 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 0.00 2.64 2.61 0.00 59 K 8.85 4.06 0.00 1.44 1.67 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.47 7.81 60 F 7.74 4.63 0.00 3.28 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 61 L 9.01 4.28 0.00 1.85 1.80 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.26 4.22 0.00 1.89 1.75 0.00 3.18 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 63 Y 8.16 4.15 0.00 3.22 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.07 4.96 0.00 2.71 2.64 0.00 0.00 6.82 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 65 P 0.00 4.51 0.00 2.22 2.02 0.00 3.90 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 1.93 1.96 0.00