NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4927 8.2893 120.3262 55.1679 33.4536 175.2358 2 V 3.6715 8.2749 120.0638 63.7673 31.9539 175.0290 3 G 4.3889 8.0650 108.0004 44.9789 0.0000 174.2670 4 R 4.6642 8.1380 117.0813 54.1446 34.2420 175.1259 5 R 4.7051 8.2703 120.0466 53.0471 32.9770 174.0914 6 P 4.2085 0.0000 0.0000 63.1328 31.3733 176.4855 7 G 3.4629 8.4802 111.2477 46.6719 0.0000 173.7461 8 G 3.9478 8.9869 111.8129 45.9890 0.0000 174.1543 9 G 3.9234 8.5626 111.8849 45.8316 0.0000 172.8776 10 L 4.5950 7.7770 119.3463 54.5924 41.8794 177.5125 11 K 4.6771 8.3091 116.6603 56.5983 33.6644 177.9221 12 D 4.6740 8.3161 121.0408 55.9235 39.6893 176.3686 13 T 4.6394 7.1050 106.9605 59.4188 71.3943 173.6951 14 K 4.2723 8.5004 124.4215 54.9339 33.1004 174.9207 15 P 4.4728 0.0000 0.0000 62.5225 31.9518 176.1786 16 V 4.4573 8.0306 121.3892 59.7863 34.3442 174.4471 17 V 4.1724 8.3436 122.6410 60.1652 32.5572 175.5087 18 V 4.3704 8.2360 123.8968 59.5371 33.5414 175.0048 19 R 4.4391 8.4244 121.4544 54.3834 31.6248 175.2044 20 L 4.6739 8.0560 124.0950 52.8699 44.9590 175.8020 21 Y 4.2472 8.3187 120.2794 56.9078 39.7243 174.9000 22 P 4.2771 0.0000 0.0000 66.2553 31.5389 178.8173 23 D 4.4370 8.1695 116.7653 57.3881 40.7258 178.6928 24 E 4.0067 8.1904 118.7539 59.4453 29.5815 179.1617 25 I 3.7623 8.1437 120.1991 64.3580 36.8997 178.1388 26 E 4.0073 8.3994 119.6610 59.1183 28.8283 178.4319 27 A 4.1456 8.3338 121.1550 54.6243 18.3112 179.5070 28 L 4.0247 8.0594 119.4018 58.2051 42.0858 179.2095 29 K 3.8533 8.2424 117.7556 60.0295 32.3207 178.5666 30 S 4.3229 7.5316 113.9330 59.7774 62.2565 174.5183 31 R 4.6018 7.7734 116.9580 55.7304 29.5869 175.8006 32 V 3.7208 7.5273 111.1081 60.0567 32.6548 174.2713 33 P 4.4051 0.0000 0.0000 62.6191 32.1319 175.6008 34 A 4.4948 8.3071 119.0359 52.1569 18.4120 176.9236 35 N 4.7581 7.5277 112.6613 55.7432 41.1304 174.7158 36 T 4.2770 7.5401 114.8845 62.7890 69.8060 175.9595 37 S 4.4239 8.4463 121.4245 57.8524 65.3371 174.9614 38 M 4.0687 8.5675 121.9298 59.1995 31.5387 179.1945 39 S 4.0980 8.2107 112.7437 61.3793 63.0962 175.9245 40 A 4.3780 7.9172 122.3172 54.1968 18.7223 178.6301 41 Y 4.0462 8.4890 118.6253 61.0047 39.0685 178.2987 42 I 3.6923 8.2619 120.6652 63.7984 37.2329 178.2384 43 R 3.9240 7.6514 120.4728 59.2195 29.6627 178.6477 44 R 3.9083 7.5913 115.5438 59.0324 29.1955 178.9888 45 I 3.6027 7.2395 119.5148 64.1837 37.3717 178.1597 46 I 3.8432 7.6210 113.4653 63.8327 37.4981 177.5339 47 L 3.9238 7.8068 121.7522 58.1038 41.8900 178.5884 48 N 4.2875 7.9269 116.1336 56.8368 38.8686 176.7720 49 H 4.4139 8.1443 118.6090 58.6189 29.6302 176.9944 50 L 4.1053 7.6561 120.4228 57.3904 41.8969 178.4051 51 E 4.0924 8.1409 116.8897 59.4833 30.0457 177.7216 52 D 4.3723 7.7927 118.3660 56.3161 41.5785 175.6835 53 E 4.2114 7.3105 119.7716 56.3692 29.5807 175.7423 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 8.29 4.49 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.74 0.00 2 V 8.27 3.67 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 0.65 0.00 0.00 0.93 0.00 0.00 3 G 8.06 4.39 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 0.00 0.00 0.00 4 R 8.14 4.66 0.00 1.74 1.77 0.00 3.16 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 5 R 8.27 4.71 0.00 1.74 1.81 0.00 3.28 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 6 P 0.00 4.21 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 7 G 8.48 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.99 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 9 G 8.56 3.92 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 0.00 0.00 0.00 10 L 7.78 4.60 0.00 1.63 1.71 0.92 0.85 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 11 K 8.31 4.68 0.00 1.87 1.92 0.00 1.31 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.36 7.81 12 D 8.32 4.67 0.00 2.81 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 13 T 7.11 4.64 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 14 K 8.50 4.27 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.36 7.81 15 P 0.00 4.47 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 16 V 8.03 4.46 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 0.92 0.00 0.00 17 V 8.34 4.17 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 0.85 0.00 0.00 0.91 0.00 0.00 18 V 8.24 4.37 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 0.87 0.00 0.00 0.91 0.00 0.00 19 R 8.42 4.44 0.00 1.68 1.76 0.00 3.12 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 20 L 8.06 4.67 0.00 1.55 1.52 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.32 4.25 0.00 3.19 2.88 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 22 P 0.00 4.28 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 23 D 8.17 4.44 0.00 2.71 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 24 E 8.19 4.01 0.00 2.31 2.06 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 2.41 2.42 0.00 25 I 8.14 3.76 2.04 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 1.44 0.91 0.93 0.00 0.00 26 E 8.40 4.01 0.00 2.03 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 0.00 2.33 2.33 0.00 27 A 8.33 4.15 1.39 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 0.00 0.00 28 L 8.06 4.02 0.00 1.93 1.88 1.06 0.75 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 29 K 8.24 3.85 0.00 1.89 1.94 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.45 7.81 30 S 7.53 4.32 0.00 4.08 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 31 R 7.77 4.60 0.00 1.91 1.94 0.00 3.15 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 32 V 7.53 3.72 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 0.65 0.00 0.00 0.88 0.00 0.00 33 P 0.00 4.41 0.00 2.12 2.01 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 34 A 8.31 4.49 1.25 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 0.00 0.00 0.00 35 N 7.53 4.76 0.00 2.71 2.78 0.00 0.00 7.09 7.54 0.00 0.00 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 T 7.54 4.28 4.41 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 1.35 0.00 0.00 37 S 8.45 4.42 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.57 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 39 S 8.21 4.10 0.00 3.86 3.96 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 40 A 7.92 4.38 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 41 Y 8.49 4.05 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 3.69 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.23 0.91 0.00 0.00 43 R 7.65 3.92 0.00 1.83 2.01 0.00 3.09 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 44 R 7.59 3.91 0.00 2.00 2.06 0.00 2.68 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 45 I 7.24 3.60 1.94 0.00 0.00 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 1.44 0.27 0.88 0.00 0.00 46 I 7.62 3.84 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 1.75 0.79 0.89 0.00 0.00 47 L 7.81 3.92 0.00 1.95 1.89 0.91 0.45 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 48 N 7.93 4.29 0.00 2.86 2.86 0.00 0.00 6.63 9.27 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 49 H 8.14 4.41 0.00 3.21 3.44 0.00 5.77 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 50 L 7.66 4.11 0.00 1.86 1.67 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.14 4.09 0.00 2.12 2.06 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 2.53 2.30 0.00 52 D 7.79 4.37 0.00 2.66 2.91 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 0.00 0.00 0.00 53 E 7.31 4.21 0.00 1.95 1.68 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 2.23 2.19 0.00