NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3906 8.2644 123.5848 51.9195 19.5995 177.6550 3 R 4.4930 8.3729 110.6644 56.7090 35.5084 174.9487 4 K 4.1874 8.5402 119.7752 58.6274 33.5153 177.7923 5 A 4.1163 7.8961 120.2032 54.5584 18.3924 179.3098 6 L 4.1020 7.8666 117.7643 57.5714 41.8278 179.1628 7 I 3.8080 7.2815 110.7712 63.8011 37.6855 178.1198 8 E 4.0387 8.0551 120.0806 59.2861 29.0710 178.9036 9 K 4.0339 8.3989 119.6228 59.6161 31.8500 178.2976 10 A 3.8838 7.7040 119.7019 54.3063 18.3440 178.7145 11 K 3.9845 8.2328 116.8896 59.0193 32.4472 177.7615 12 R 4.1499 7.1361 117.2195 56.8466 30.6662 176.1444 13 T 4.2065 8.3254 114.0152 65.5167 70.1538 174.1604 14 P 3.4430 0.0000 0.0000 60.3629 32.6492 176.4482 15 K 2.9171 8.9953 113.2621 57.9083 29.0128 173.6555 16 F 3.7842 7.6820 128.8733 57.2647 37.3010 175.4185 17 K 4.4837 8.2785 118.4740 57.0275 33.5961 178.5316 18 V 3.8539 7.9081 119.0104 65.5691 32.1724 176.4148 19 R 4.3068 7.3185 121.2933 56.0267 31.1709 171.6039 20 A 3.6179 9.0835 131.3808 52.8344 18.5349 176.4487 21 Y 4.9021 7.4556 119.2657 55.0318 41.3067 174.7555 22 T 3.9317 8.5253 110.6913 61.8600 68.9308 173.3182 23 R 5.4554 8.6223 131.4732 56.9500 31.5804 172.4135 24 C 3.7841 8.4557 125.0100 58.3523 32.3703 174.6597 25 V 3.7367 8.7079 127.3268 65.7095 30.7850 176.8911 26 R 4.1272 7.4065 118.9392 57.4016 30.4976 176.7332 27 C 4.5196 7.6257 111.6021 57.2172 31.5819 174.2341 28 G 3.9500 8.5329 107.1479 45.5830 0.0000 173.6393 29 R 3.7520 7.4475 119.4635 56.7835 30.3973 176.7365 30 A 4.4108 8.6526 126.4718 53.0128 20.3113 177.2477 31 R 4.3946 7.7936 113.2763 55.1258 32.7240 175.9275 32 S 3.4523 8.1809 112.7729 60.1817 60.1167 174.0748 33 V 4.7246 7.0654 111.2954 59.4004 32.9771 175.9236 34 Y 4.1052 9.0097 124.4932 57.8167 38.1918 177.4460 35 R 3.9129 8.9614 124.8959 59.5284 30.6129 177.5958 36 F 3.9959 8.5164 118.3667 61.3975 39.2925 176.4658 37 F 4.5535 8.4521 116.8082 58.5105 39.4151 177.0255 38 G 4.0332 9.4695 108.0250 45.2870 0.0000 172.4236 39 L 5.1250 7.9473 118.4960 52.5047 45.2028 175.2137 40 C 5.1791 8.2970 115.4005 56.9602 32.8380 174.8081 41 R 3.9761 8.6660 120.4677 60.6013 28.8463 178.1405 42 I 3.6176 8.0800 119.9157 64.2982 36.8875 177.4707 43 C 3.9457 8.0445 116.2712 63.1568 28.2485 175.9451 44 L 3.5948 8.3902 121.8668 58.1889 41.6480 179.2287 45 R 3.6392 7.9785 118.2609 59.4086 29.8608 177.3960 46 E 3.8470 8.1580 117.9464 59.8420 29.7847 178.6866 47 L 4.0593 8.7799 118.8877 57.8823 42.0307 179.3618 48 A 4.1305 7.8692 120.4871 55.4584 17.9070 178.8331 49 H 4.6049 7.8839 112.3734 57.2920 29.0946 176.6952 50 K 4.4579 8.4136 119.1327 55.3653 32.4735 176.9365 51 G 3.9008 7.4536 106.3713 46.4182 0.0000 174.7249 52 Q 4.1407 8.0557 117.2307 56.1916 29.2092 175.7163 53 L 4.5570 7.5636 118.3991 52.0382 42.2266 174.3787 54 P 4.1604 0.0000 0.0000 64.1773 33.1422 175.9021 55 G 3.3970 8.7704 114.5038 46.2243 0.0000 176.5817 56 V 3.0670 8.1394 119.4564 62.7496 30.4693 172.7857 57 R 4.6580 7.9974 127.0871 53.8831 33.3250 174.4712 58 K 4.0234 8.6737 121.0679 56.3600 33.8061 176.1626 59 A 3.9206 9.2740 124.3057 53.5942 17.1295 175.3523 60 S 4.0324 10.4444 118.1959 56.9685 64.3074 168.9617 61 W 4.1315 8.0156 122.9765 57.3882 27.1841 174.0654 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 2 A 8.26 4.39 1.18 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 0.00 0.00 3 R 8.37 4.49 0.00 1.90 1.86 0.00 3.18 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 4 K 8.54 4.19 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.56 7.81 5 A 7.90 4.12 1.34 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 0.00 0.00 6 L 7.87 4.10 0.00 1.76 1.82 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.28 3.81 1.88 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 1.65 0.51 1.01 0.00 0.00 8 E 8.06 4.04 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 2.58 2.46 0.00 9 K 8.40 4.03 0.00 1.93 2.05 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 10 A 7.70 3.88 1.06 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 0.00 0.00 11 K 8.23 3.98 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.56 7.81 12 R 7.14 4.15 0.00 2.08 1.87 0.00 3.11 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 13 T 8.33 4.21 4.21 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 1.19 0.00 0.00 14 P 0.00 3.44 0.00 2.06 2.07 0.00 3.57 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 1.97 2.10 0.00 15 K 9.00 2.92 0.00 1.61 1.32 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.49 1.14 7.81 16 F 7.68 3.78 0.00 3.21 2.98 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 17 K 8.28 4.48 0.00 1.92 2.07 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.37 7.81 18 V 7.91 3.85 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 0.82 0.00 0.00 0.96 0.00 0.00 19 R 7.32 4.31 0.00 2.15 1.98 0.00 3.76 0.00 0.00 3.38 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 20 A 9.08 3.62 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.46 4.90 0.00 3.08 2.89 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 0.00 0.00 0.00 22 T 8.53 3.93 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 1.25 0.00 0.00 23 R 8.62 5.46 0.00 1.81 1.92 0.00 3.81 0.00 0.00 3.42 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 24 C 8.46 3.78 0.00 3.04 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 25 V 8.71 3.74 2.19 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 0.84 0.00 0.00 1.01 0.00 0.00 26 R 7.41 4.13 0.00 1.86 1.87 0.00 3.25 0.00 0.00 3.28 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 27 C 7.63 4.52 0.00 3.12 3.07 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 28 G 8.53 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 29 R 7.45 3.75 0.00 1.93 1.91 0.00 3.15 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 30 A 8.65 4.41 1.34 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 0.00 0.00 31 R 7.79 4.39 0.00 1.81 1.86 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 S 8.18 3.45 0.00 4.00 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 33 V 7.07 4.72 2.14 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 0.93 0.00 0.00 1.03 0.00 0.00 34 Y 9.01 4.11 0.00 3.49 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 35 R 8.96 3.91 0.00 1.88 2.04 0.00 3.28 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 36 F 8.52 4.00 0.00 2.87 2.63 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 0.00 0.00 0.00 0.00 37 F 8.45 4.55 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.47 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 39 L 7.95 5.12 0.00 1.76 1.58 0.86 0.88 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 40 C 8.30 5.18 0.00 3.27 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 41 R 8.67 3.98 0.00 2.15 2.50 0.00 2.88 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 1.88 1.80 0.00 42 I 8.08 3.62 1.89 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 1.67 0.89 1.00 0.00 0.00 43 C 8.04 3.95 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.59 0.00 1.51 1.78 -0.31 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.98 3.64 0.00 1.83 1.99 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 46 E 8.16 3.85 0.00 2.16 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 2.33 2.38 0.00 47 L 8.78 4.06 0.00 1.56 1.64 0.91 -0.19 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 48 A 7.87 4.13 1.22 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 0.00 0.00 0.00 49 H 7.88 4.60 0.00 3.45 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.41 4.46 0.00 1.66 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.70 7.81 51 G 7.45 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 0.00 0.00 0.00 52 Q 8.06 4.14 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 53 L 7.56 4.56 0.00 1.59 1.69 0.45 1.05 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 54 P 0.00 4.16 0.00 2.12 2.09 0.00 3.85 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 2.10 2.17 0.00 55 G 8.77 3.40 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 0.00 56 V 8.14 3.07 2.24 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 0.69 0.00 0.00 1.18 0.00 0.00 57 R 8.00 4.66 0.00 1.73 1.72 0.00 3.37 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 58 K 8.67 4.02 0.00 1.81 1.80 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.42 7.81 59 A 9.27 3.92 1.48 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 60 S 10.44 4.03 0.00 4.06 4.01 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 0.00 0.00 0.00 0.00 61 W 8.02 4.13 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