NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3262 8.4449 120.2257 56.3223 30.6989 175.8966 4 R 3.9649 7.4301 120.3687 54.5703 32.8332 174.6953 5 P 4.2135 0.0000 0.0000 66.2315 31.8561 178.8385 6 L 3.9655 7.8499 116.6984 57.6391 41.5523 179.2118 7 D 4.3641 7.8631 118.7392 57.2057 40.6230 178.7306 8 V 3.5723 7.5805 117.8567 66.0047 31.9576 177.8732 9 I 3.6696 7.4913 119.3217 64.4667 36.9243 177.8615 10 H 4.0765 8.0040 119.0562 59.2771 29.5278 177.2519 11 R 4.0124 7.9258 118.8050 58.5399 30.1600 177.4935 12 S 4.5673 7.5665 113.5208 57.3011 63.1070 173.7109 13 L 4.3205 7.1394 122.9284 56.4718 41.7256 177.0067 14 D 4.5703 10.1415 121.8196 54.6466 39.1147 173.5468 15 K 4.7646 7.8077 118.4678 54.2077 36.1860 174.9371 16 D 5.0549 8.4959 121.5240 54.5856 42.4739 175.4087 17 V 5.0177 9.0222 117.6091 59.6944 36.8239 173.7155 18 L 4.7666 9.0485 125.3577 53.5887 44.2759 175.3980 19 V 4.7432 8.9499 126.7155 61.1112 33.5378 173.9052 20 I 4.3231 8.6547 129.8277 60.9782 38.2207 175.7736 21 L 5.0011 8.3921 126.7098 52.7907 44.3304 177.3062 22 K 4.4569 8.2428 118.0851 57.1219 31.7999 178.0818 23 K 4.1929 8.2321 117.5656 55.7983 33.1080 177.1884 24 G 3.9753 8.4691 107.5411 44.9559 0.0000 173.3590 25 F 5.1058 7.5475 118.7808 57.1011 42.0132 174.0361 26 E 5.2103 7.5213 114.1096 56.5358 32.8665 175.5152 27 F 5.4052 8.7972 119.9223 55.8208 42.7082 174.3765 28 R 5.0543 9.1165 121.6909 54.2799 33.5556 174.9283 29 G 3.9831 7.8617 111.0857 46.6647 0.0000 170.7287 30 R 4.9641 7.9569 120.7787 54.4948 31.0297 175.6668 31 L 4.6444 8.9412 130.3391 55.3966 42.6796 176.8223 32 I 4.5148 8.3391 119.1857 60.2070 38.9173 175.2230 33 G 4.1415 7.6452 109.0508 46.5899 0.0000 171.5595 34 Y 5.3399 7.6520 117.3997 56.6185 40.5432 171.7959 35 D 4.7978 8.4949 118.5831 51.4433 43.0158 176.1213 36 I 3.6419 8.5512 117.5951 64.1788 37.8004 175.8959 37 H 4.6077 8.1623 115.1087 55.4916 28.7498 175.2262 38 L 3.8055 8.1017 118.5821 55.6837 39.5277 174.1557 39 N 4.9061 8.2304 115.6007 53.3741 39.9467 174.6737 40 V 5.0643 8.7295 114.6767 59.6549 36.9224 174.4838 41 V 4.7826 8.7181 121.5482 61.2514 34.2572 174.3546 42 L 5.3255 8.8299 127.1526 52.9497 45.0692 175.0956 43 A 4.9146 8.7567 123.5099 50.6969 21.6726 175.8702 44 D 4.6076 8.2982 119.6628 55.1905 40.1100 172.7971 45 A 5.1451 8.5231 122.6696 50.8960 22.3759 177.2512 46 E 5.1062 9.3008 119.5645 54.6976 33.2521 174.9189 47 M 4.4377 9.3759 125.4137 55.0756 33.2324 174.6912 48 I 4.5449 8.7667 127.3674 59.5784 39.7779 174.6994 49 Q 4.0831 8.1892 126.8478 54.3572 31.6600 174.4784 50 D 4.0473 9.3593 128.0420 55.6988 37.9539 175.1661 51 G 3.8815 8.6127 103.7499 45.8532 0.0000 173.7325 52 E 4.4708 7.6242 118.1018 53.6618 32.4390 175.4683 53 V 3.9480 8.5477 123.9442 63.7864 31.7837 175.5642 54 V 4.3524 8.3036 119.6099 61.6754 33.9315 175.8327 55 K 4.5304 7.5623 117.6846 55.2689 36.5949 174.9495 56 R 5.0728 7.8868 119.7745 54.7633 34.1890 174.4251 57 Y 4.7118 9.4304 119.6006 56.2613 41.7217 176.8398 58 G 3.7296 9.0242 110.9321 49.0400 0.0000 173.3446 59 K 5.1676 7.8872 119.5115 55.0923 35.4629 175.2302 60 I 4.4231 8.5817 126.0454 59.6882 42.0008 173.2394 61 V 4.5392 8.2313 128.7614 61.4215 33.0142 174.5373 62 I 4.2879 8.4137 129.8681 59.3899 39.4254 175.6557 63 R 4.5370 8.5495 126.8456 55.6427 30.7456 177.7795 64 G 3.7636 9.7475 112.9860 48.6511 0.0000 174.9088 65 D 4.2748 8.1905 118.2634 56.9151 41.2227 176.5354 66 N 4.6811 8.1102 114.3786 53.1278 39.1679 174.6936 67 V 4.0420 7.7291 119.7167 62.4160 32.5035 175.3366 68 L 4.4872 9.0139 127.5122 56.8335 42.5887 176.4827 69 A 4.6932 7.5764 117.6782 51.0917 23.0310 174.8984 70 I 5.0927 8.1410 118.9195 59.8203 41.0725 175.0158 71 S 4.6881 9.2354 121.9420 55.6845 65.3353 171.1268 72 P 4.8013 0.0000 0.0000 62.3948 31.8472 176.4457 73 T 4.1732 8.4732 114.5826 61.9511 68.4926 174.5351 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 E 8.44 4.33 0.00 1.97 1.99 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 2.21 2.28 0.00 4 R 7.43 3.96 0.00 2.12 1.84 0.00 3.31 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 5 P 0.00 4.21 0.00 2.13 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 6 L 7.85 3.97 0.00 1.68 1.72 0.95 1.20 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 7 D 7.86 4.36 0.00 2.93 2.71 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 8 V 7.58 3.57 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 0.80 0.00 0.00 1.02 0.00 0.00 9 I 7.49 3.67 1.40 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.26 0.00 0.00 10 H 8.00 4.08 0.00 3.38 3.48 0.00 5.78 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 11 R 7.93 4.01 0.00 2.04 1.92 0.00 3.36 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 12 S 7.57 4.57 0.00 4.02 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 13 L 7.14 4.32 0.00 1.71 1.64 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 D 10.14 4.57 0.00 2.85 2.82 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 15 K 7.81 4.76 0.00 1.85 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 16 D 8.50 5.05 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 5.02 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 0.72 0.00 0.00 1.00 0.00 0.00 18 L 9.05 4.77 0.00 1.73 1.64 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.95 4.74 2.26 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 1.11 0.00 0.00 0.98 0.00 0.00 20 I 8.65 4.32 1.90 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 1.26 0.40 0.94 0.00 0.00 21 L 8.39 5.00 0.00 1.83 1.60 1.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.24 4.46 0.00 1.56 1.80 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 23 K 8.23 4.19 0.00 1.06 1.05 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.16 7.81 24 G 8.47 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 0.00 0.00 0.00 25 F 7.55 5.11 0.00 2.82 2.77 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 26 E 7.52 5.21 0.00 2.15 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 2.12 2.08 0.00 27 F 8.80 5.41 0.00 3.05 2.94 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 28 R 9.12 5.05 0.00 1.95 1.78 0.00 3.57 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 29 G 7.86 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 0.00 0.00 0.00 30 R 7.96 4.96 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 L 8.94 4.64 0.00 1.82 1.75 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.34 4.51 1.88 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 1.34 0.86 0.96 0.00 0.00 33 G 7.65 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 0.00 0.00 0.00 34 Y 7.65 5.34 0.00 3.03 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 35 D 8.49 4.80 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.64 1.82 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 1.38 0.66 0.64 0.00 0.00 37 H 8.16 4.61 0.00 3.32 3.31 0.00 5.80 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 38 L 8.10 3.81 0.00 1.82 1.84 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.23 4.91 0.00 2.95 2.74 0.00 0.00 6.76 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 40 V 8.73 5.06 2.11 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 0.77 0.00 0.00 0.91 0.00 0.00 41 V 8.72 4.78 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 1.02 0.00 0.00 0.91 0.00 0.00 42 L 8.83 5.33 0.00 1.55 1.53 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.76 4.91 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 44 D 8.30 4.61 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 45 A 8.52 5.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.30 5.11 0.00 1.91 1.84 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 2.24 2.27 0.00 47 M 9.38 4.44 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.07 0.00 48 I 8.77 4.54 1.80 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 1.08 1.08 0.91 0.00 0.00 49 Q 8.19 4.08 0.00 1.53 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.19 0.00 0.00 0.00 0.00 0.00 2.08 1.74 0.00 50 D 9.36 4.05 0.00 2.84 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 51 G 8.61 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 52 E 7.62 4.47 0.00 2.10 1.76 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 2.18 2.18 0.00 53 V 8.55 3.95 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 0.75 0.00 0.00 0.91 0.00 0.00 54 V 8.30 4.35 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 0.62 0.00 0.00 0.75 0.00 0.00 55 K 7.56 4.53 0.00 1.57 1.22 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 56 R 7.89 5.07 0.00 1.50 1.70 0.00 3.10 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 57 Y 9.43 4.71 0.00 2.89 2.82 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 58 G 9.02 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 5.17 0.00 1.75 1.65 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.43 7.81 60 I 8.58 4.42 1.57 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.92 0.57 0.00 0.00 61 V 8.23 4.54 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 0.82 0.00 0.00 0.88 0.00 0.00 62 I 8.41 4.29 1.73 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.26 0.85 0.00 0.00 63 R 8.55 4.54 0.00 1.86 1.85 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 9.75 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 0.00 0.00 0.00 65 D 8.19 4.27 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.68 0.00 2.86 2.84 0.00 0.00 6.51 7.47 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 67 V 7.73 4.04 2.23 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 0.82 0.00 0.00 0.96 0.00 0.00 68 L 9.01 4.49 0.00 1.69 1.71 0.95 0.72 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 69 A 7.58 4.69 1.21 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 0.00 0.00 0.00 70 I 8.14 5.09 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.95 0.00 0.00 71 S 9.24 4.69 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 1.97 1.97 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 73 T 8.47 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00