NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4057 0.0000 0.0000 61.8862 32.6612 175.8175 2 I 3.8363 8.2662 112.5564 61.2721 37.8279 172.1288 3 E 4.7722 9.8490 122.8041 55.1550 34.0066 177.6761 4 V 4.6329 8.3448 113.6849 59.9011 32.0477 177.3093 5 N 4.2058 7.9022 118.8828 53.0648 37.4476 172.3779 6 D 4.7985 8.2120 114.5063 55.7717 43.0991 178.4453 7 D 4.2966 8.1129 117.6979 56.7522 41.0175 176.3019 8 C 4.1631 7.2223 118.2003 59.8676 31.7889 171.3679 9 M 4.1966 8.2182 120.4746 53.8401 34.0585 176.5287 10 A 5.4116 7.4252 135.0000 53.5440 20.8790 176.9011 11 C 4.0818 7.2157 124.5285 60.0217 32.6718 174.2957 12 E 4.1208 8.4136 117.5818 56.9649 28.1629 175.4533 13 A 3.9749 7.6318 120.8876 55.4138 18.4315 180.2713 14 C 4.1224 7.9752 112.5501 61.4710 29.3547 176.0439 15 V 4.0792 7.6150 119.5328 65.3864 31.3578 176.7683 16 E 4.1865 8.2312 117.2845 57.3151 29.6547 177.1077 17 I 4.4139 7.3537 116.8784 62.2621 40.2854 174.9078 18 C 4.8382 8.6260 121.3046 54.8287 44.1702 171.7511 19 P 5.0345 0.0000 0.0000 62.5867 31.3029 177.1380 20 D 4.6114 7.8308 117.5998 54.6681 42.1557 176.3858 21 V 3.9419 7.3514 117.4245 63.6265 34.7414 175.1228 22 F 5.3832 8.2916 118.9669 55.7253 42.6430 173.8825 23 E 5.0872 9.5207 124.3543 54.0618 33.4950 174.7647 24 M 4.4236 8.6462 122.8658 55.1115 32.4687 178.6823 25 N 4.7559 8.4267 120.2724 53.5271 40.2623 175.6201 26 E 4.1893 9.0151 115.2592 58.0815 30.1526 177.2615 27 E 4.5584 7.7065 113.9687 55.1421 31.4312 175.6911 28 G 3.8784 8.2308 106.8103 46.5249 0.0000 174.7997 29 D 4.3812 8.0873 117.3872 54.6834 41.8359 175.6421 30 K 4.5845 7.2535 116.8806 56.0676 36.4022 173.9805 31 A 4.4717 8.7566 128.4129 51.7445 18.8497 177.2412 32 V 4.2406 8.9018 123.1882 61.1088 33.7152 175.8821 33 V 4.4384 8.3469 122.6289 62.9224 31.9530 175.3717 34 I 4.2753 8.4867 125.9651 61.5294 40.2640 175.5266 35 N 4.8037 7.7146 121.0123 50.9496 38.2000 172.7220 36 P 4.8697 0.0000 0.0000 61.9201 31.7448 176.4709 37 D 5.0182 7.7890 118.7024 55.5324 44.8333 176.8542 38 S 4.7751 8.2712 113.7851 59.3396 62.6893 173.1554 39 D 4.5410 7.9171 116.3755 53.0125 39.4037 174.8507 40 L 4.8090 7.5056 118.8381 54.5037 43.5966 175.9017 41 D 4.4940 8.4211 115.7871 55.2365 41.1392 178.0251 42 C 4.8028 8.1787 117.9769 60.4371 34.4314 175.9061 43 V 3.3963 7.5345 119.3758 65.8131 31.0792 178.0022 44 E 4.0436 8.9662 119.6438 59.0357 29.3630 178.7163 45 E 4.1372 8.1610 116.6888 58.7027 29.9456 178.4210 46 A 4.1025 8.7314 121.6766 54.1870 18.7045 179.1873 47 I 3.9110 7.4621 118.2185 63.8902 37.4799 177.5649 48 D 4.3122 7.8282 117.2236 57.7149 41.2194 178.4841 49 S 4.3863 8.0491 113.5565 59.7071 62.8783 173.8925 50 C 4.3636 7.7201 123.5235 57.4133 31.2985 172.3026 51 P 4.2224 0.0000 0.0000 65.3129 31.3237 177.2095 52 A 4.0481 8.0018 119.4864 52.5779 18.9837 176.4328 53 E 3.6396 7.4415 116.1767 56.8954 28.7099 175.5185 54 A 4.1963 7.6522 121.1826 53.2974 19.5124 177.7173 55 I 4.6092 7.3651 117.1903 60.4530 38.2743 175.6646 56 V 4.5835 8.6990 117.6532 60.1068 35.8062 174.9328 57 R 4.6579 8.3104 119.6115 55.8217 30.4252 176.8135 58 S 4.2707 8.2617 117.2298 58.9993 62.1788 173.5942 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 P 0.00 4.41 0.00 2.21 2.29 0.00 3.90 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 1.90 1.97 0.00 2 I 8.27 3.84 2.10 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.37 0.98 0.00 0.00 3 E 9.85 4.77 0.00 2.02 1.83 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 2.24 2.28 0.00 4 V 8.34 4.63 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 0.72 0.00 0.00 0.97 0.00 0.00 5 N 7.90 4.21 0.00 2.85 2.85 0.00 0.00 6.82 8.05 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 6 D 8.21 4.80 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.11 4.30 0.00 2.69 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 C 7.22 4.16 0.00 3.03 2.95 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 9 M 8.22 4.20 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 10 A 7.43 5.41 1.30 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 0.00 0.00 0.00 11 C 7.22 4.08 0.00 2.95 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 12 E 8.41 4.12 0.00 2.22 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 0.00 2.38 2.31 0.00 13 A 7.63 3.97 1.24 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 0.00 0.00 0.00 14 C 7.98 4.12 0.00 2.84 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 15 V 7.62 4.08 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 1.00 0.00 0.00 0.98 0.00 0.00 16 E 8.23 4.19 0.00 2.23 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 0.00 2.32 2.36 0.00 17 I 7.35 4.41 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 1.08 0.00 0.00 18 C 8.63 4.84 0.00 2.99 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 19 P 0.00 5.03 0.00 2.23 2.29 0.00 3.42 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 20 D 7.83 4.61 0.00 2.61 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 21 V 7.35 3.94 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 -0.30 0.00 0.00 0.73 0.00 0.00 22 F 8.29 5.38 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.52 5.09 0.00 1.97 1.75 0.00 0.00 0.00 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 2.27 0.00 24 M 8.65 4.42 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 25 N 8.43 4.76 0.00 2.99 2.62 0.00 0.00 7.12 7.82 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 26 E 9.02 4.19 0.00 1.97 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 0.00 2.29 2.27 0.00 27 E 7.71 4.56 0.00 1.94 1.88 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 2.20 2.27 0.00 28 G 8.23 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 29 D 8.09 4.38 0.00 2.63 2.69 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 0.00 0.00 0.00 0.00 30 K 7.25 4.58 0.00 1.66 1.57 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.33 7.81 31 A 8.76 4.47 1.24 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 0.00 0.00 0.00 32 V 8.90 4.24 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 0.95 0.00 0.00 0.98 0.00 0.00 33 V 8.35 4.44 2.12 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 0.91 0.00 0.00 1.10 0.00 0.00 34 I 8.49 4.28 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.89 0.89 0.00 0.00 35 N 7.71 4.80 0.00 2.75 2.46 0.00 0.00 7.05 7.65 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 36 P 0.00 4.87 0.00 2.21 2.12 0.00 3.87 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 37 D 7.79 5.02 0.00 2.58 2.62 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 0.00 0.00 0.00 0.00 38 S 8.27 4.78 0.00 3.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.54 0.00 2.73 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 40 L 7.51 4.81 0.00 1.84 1.78 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.42 4.49 0.00 2.82 2.69 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 0.00 0.00 0.00 0.00 42 C 8.18 4.80 0.00 3.02 3.21 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 43 V 7.53 3.40 2.15 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 1.13 0.00 0.00 1.00 0.00 0.00 44 E 8.97 4.04 0.00 2.40 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 2.34 2.33 0.00 45 E 8.16 4.14 0.00 2.21 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 0.00 2.50 2.41 0.00 46 A 8.73 4.10 1.45 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 0.00 0.00 0.00 47 I 7.46 3.91 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.92 0.00 0.00 48 D 7.83 4.31 0.00 2.93 2.70 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 0.00 0.00 0.00 49 S 8.05 4.39 0.00 3.97 3.91 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 50 C 7.72 4.36 0.00 2.99 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 51 P 0.00 4.22 0.00 2.20 2.15 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 52 A 8.00 4.05 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 53 E 7.44 3.64 0.00 1.93 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 2.23 2.21 0.00 54 A 7.65 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.37 4.61 1.69 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.67 0.00 0.00 56 V 8.70 4.58 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 0.83 0.00 0.00 1.01 0.00 0.00 57 R 8.31 4.66 0.00 1.82 1.96 0.00 3.27 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 58 S 8.26 4.27 0.00 3.81 3.89 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