NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2680 8.4293 120.2263 56.5174 29.9005 175.1249 2 Q 4.2254 7.9066 122.8814 54.1120 30.1103 172.6742 3 V 3.6132 9.1173 111.9722 64.5770 32.4803 179.4563 4 V 4.1533 7.7088 110.4489 61.3031 31.8170 175.7153 5 A 4.5583 7.7110 122.0830 53.5395 20.6751 179.5922 6 I 3.8109 7.9319 109.7071 63.9099 37.5043 177.8520 7 A 4.1215 7.8605 121.3855 53.9986 18.5680 179.5557 8 S 4.0623 7.8391 113.3787 61.6814 63.2751 176.1769 9 N 4.3395 8.6485 119.9778 56.9086 38.5623 177.1145 10 I 3.9381 7.2335 119.5326 63.8303 37.2622 177.7967 11 G 3.8355 7.7947 103.8743 44.7112 0.0000 173.8330 12 G 4.3543 7.8584 113.7843 45.8533 0.0000 175.5143 13 K 4.2930 7.4125 121.2761 54.5084 30.7526 177.1893 14 Q 3.9095 8.2933 123.5034 58.6071 29.6246 177.5070 15 A 4.4704 7.8981 116.6810 52.4066 18.6859 177.0973 16 L 4.5539 7.5920 117.9687 56.7556 44.2596 179.1144 17 E 4.0105 8.6142 118.5005 59.4466 29.1477 179.2777 18 T 3.8490 7.8572 113.1994 64.9392 67.5647 176.3331 19 V 3.7328 7.6625 120.6706 64.5067 31.6223 178.0838 20 Q 3.9591 7.8801 119.5483 58.8910 28.9569 177.2287 21 R 4.0312 8.2157 119.9041 58.8326 30.4063 177.0004 22 L 4.3305 7.7483 115.8717 55.3054 42.3189 178.2465 23 L 3.9441 7.7117 121.4425 57.7537 41.9899 176.9798 24 P 4.2257 0.0000 0.0000 65.7513 31.1485 178.3868 25 V 3.5519 7.6901 117.3970 66.0290 31.6290 177.9745 26 L 4.1195 8.2980 119.0041 57.8436 41.2790 179.3619 27 C 4.1857 8.4314 117.2667 62.7716 27.8283 175.8183 28 Q 3.9846 8.1000 119.8668 58.5679 28.7926 177.4145 29 A 4.2046 8.1792 121.4652 55.1911 18.6235 178.0697 30 H 4.6062 7.9144 108.3235 54.7710 32.5853 174.5350 31 G 3.9721 8.8836 107.2286 45.7702 0.0000 174.3373 32 L 4.2427 7.9816 118.4500 56.5775 43.1017 176.9533 33 T 3.4008 7.7226 113.4761 64.2144 65.2126 171.2004 34 P 4.5196 0.0000 0.0000 64.5234 32.0130 178.1918 35 E 3.9593 8.1600 119.3409 59.5216 29.2417 178.3013 36 Q 4.1503 7.6347 113.8022 57.7071 28.9501 177.2737 37 V 4.1052 7.8126 119.7767 63.5058 32.7187 176.8443 38 V 4.1277 7.5081 117.4353 63.4521 32.5267 177.8853 39 A 3.9743 8.1920 121.9697 54.8510 18.3118 179.7004 40 I 3.6867 7.7592 117.6880 64.2732 37.2039 178.3884 41 A 3.9890 7.9417 121.4287 55.2642 18.3768 179.7310 42 S 4.3693 7.9344 113.9090 61.2468 62.4925 176.1744 43 H 4.1445 8.4289 121.9604 59.0034 29.4273 176.8614 44 D 4.5752 8.5009 119.2093 55.4472 41.4940 176.1138 45 G 3.8590 9.0418 110.9562 47.0856 0.0000 170.7372 46 G 3.7356 8.4908 118.1552 45.3702 0.0000 174.8408 47 K 3.9641 9.1912 122.5319 58.5309 32.1430 179.3754 48 Q 4.2040 7.4022 113.8261 58.6774 28.4972 177.5528 49 A 4.3470 7.7810 120.1632 52.5214 19.0200 177.3759 50 L 4.3217 7.5085 116.4172 53.7899 43.9152 176.1215 51 E 4.0653 8.5761 123.4411 56.5546 31.0605 173.5365 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 E 8.43 4.27 0.00 1.97 2.00 0.00 0.00 0.00 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 2.25 0.00 2 Q 7.91 4.23 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.62 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 3 V 9.12 3.61 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 0.88 0.00 0.00 0.93 0.00 0.00 4 V 7.71 4.15 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 0.77 0.00 0.00 0.96 0.00 0.00 5 A 7.71 4.56 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 6 I 7.93 3.81 1.87 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 1.70 0.79 0.95 0.00 0.00 7 A 7.86 4.12 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 8 S 7.84 4.06 0.00 3.87 4.08 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 9 N 8.65 4.34 0.00 2.72 2.87 0.00 0.00 7.66 7.62 0.00 0.00 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 I 7.23 3.94 2.17 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 1.45 0.52 0.91 0.00 0.00 11 G 7.79 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 0.00 0.00 0.00 12 G 7.86 4.35 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 0.00 13 K 7.41 4.29 0.00 1.81 1.74 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.58 7.81 14 Q 8.29 3.91 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.12 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 15 A 7.90 4.47 1.27 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 0.00 0.00 16 L 7.59 4.55 0.00 1.73 1.60 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.61 4.01 0.00 2.01 1.98 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 2.41 2.45 0.00 18 T 7.86 3.85 4.33 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 1.23 0.00 0.00 19 V 7.66 3.73 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 0.72 0.00 0.00 0.92 0.00 0.00 20 Q 7.88 3.96 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 21 R 8.22 4.03 0.00 1.99 1.93 0.00 3.35 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 22 L 7.75 4.33 0.00 1.83 1.68 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.71 3.94 0.00 2.04 1.77 0.92 0.77 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 24 P 0.00 4.23 0.00 2.30 2.29 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 25 V 7.69 3.55 2.22 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 1.08 0.00 0.00 0.98 0.00 0.00 26 L 8.30 4.12 0.00 1.83 1.79 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.43 4.19 0.00 3.14 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 28 Q 8.10 3.98 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 A 8.18 4.20 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 30 H 7.91 4.61 0.00 3.10 3.28 0.00 5.74 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 31 G 8.88 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 0.00 0.00 0.00 32 L 7.98 4.24 0.00 1.65 1.72 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.72 3.40 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 1.21 0.00 0.00 34 P 0.00 4.52 0.00 2.26 2.29 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 35 E 8.16 3.96 0.00 2.00 2.05 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 2.40 2.32 0.00 36 Q 7.63 4.15 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.36 0.00 37 V 7.81 4.11 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 0.98 0.00 0.00 0.96 0.00 0.00 38 V 7.51 4.13 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 0.94 0.00 0.00 0.93 0.00 0.00 39 A 8.19 3.97 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 40 I 7.76 3.69 2.11 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 0.81 0.93 0.00 0.00 41 A 7.94 3.99 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 42 S 7.93 4.37 0.00 4.11 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 43 H 8.43 4.14 0.00 3.27 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.50 4.58 0.00 2.68 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 45 G 9.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.49 3.74 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 0.00 0.00 0.00 47 K 9.19 3.96 0.00 1.98 1.83 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.62 7.81 48 Q 7.40 4.20 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 49 A 7.78 4.35 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 50 L 7.51 4.32 0.00 1.78 1.70 0.92 0.97 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 51 E 8.58 4.07 0.00 2.03 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 0.00 2.20 2.28 0.00