NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2247 8.2644 123.5813 52.6081 19.8223 176.5910 3 R 4.1411 7.8485 117.9431 55.4992 30.3867 172.8018 4 R 4.2774 8.1191 123.9699 56.3141 32.0827 176.2337 5 T 4.6702 8.1233 108.1266 59.9517 72.6996 172.8615 6 W 4.1732 9.1585 127.7649 61.4935 30.5887 177.3885 7 L 3.2742 8.5546 118.7475 58.2594 41.5478 179.6584 8 G 3.6653 7.8580 104.2046 47.9910 0.0000 175.1283 9 D 4.4148 8.3313 121.5904 57.2606 40.7204 178.7620 10 I 3.4435 6.9602 118.4828 63.9514 37.2905 177.4700 11 L 4.3256 7.6113 117.6933 54.8782 41.7795 178.2805 12 R 3.8543 7.7304 119.6521 58.9207 29.6946 175.4065 13 P 4.3303 0.0000 0.0000 65.7670 31.5274 178.1631 14 L 3.7583 7.0662 118.8273 56.2095 41.6461 176.8080 15 N 4.8527 7.2605 115.7605 51.9429 39.4917 171.6868 16 S 4.7022 7.9935 121.7271 59.1588 68.2758 177.9793 17 E 4.5898 8.6091 119.6686 58.2960 30.7306 177.7962 18 Y 4.0554 8.9227 114.9256 58.8999 39.1966 178.0889 19 G 3.2105 8.7402 109.6158 46.7315 0.0000 173.8218 20 K 3.7742 7.4969 121.4892 55.2028 31.5820 181.7415 21 V 4.4752 7.9514 116.7433 58.1567 34.8248 175.7816 22 A 4.3116 8.2233 124.7953 51.1027 19.3205 175.4461 23 P 4.6416 0.0000 0.0000 62.7052 33.6914 176.6694 24 G 4.0144 8.2531 108.3427 47.3553 0.0000 174.1030 25 W 4.2867 9.4655 123.6244 58.2681 30.2155 178.0522 26 G 3.9211 7.1395 106.8659 45.4135 0.0000 178.0787 27 T 4.2525 8.6627 119.2985 62.5124 69.1224 176.5365 28 T 3.7603 7.5198 119.5108 66.4518 68.1553 173.4238 29 P 4.3702 0.0000 0.0000 66.3380 31.3737 177.7450 30 L 4.1908 7.9885 119.4163 57.9418 42.0960 178.4660 31 M 4.1148 8.1751 118.0211 58.6076 32.4537 177.7872 32 A 4.2387 8.6013 120.2510 53.9490 18.3905 179.0411 33 V 3.9342 7.5881 116.6000 65.0728 32.1186 177.8780 34 F 3.9973 8.3511 117.0530 60.5512 38.7929 176.9057 35 M 4.3274 8.4481 118.1004 59.0329 32.1736 178.7111 36 G 3.7004 7.8124 104.1038 47.5388 0.0000 175.7767 37 L 4.1073 8.2003 121.6350 57.5839 41.6298 179.2008 38 F 4.7079 9.2013 121.4996 61.4297 39.4771 176.6619 39 L 3.8193 8.2323 120.0385 58.4691 41.9236 179.2706 40 V 3.6611 7.8285 117.4807 65.5921 31.4551 177.7383 41 F 4.3777 8.4798 120.7153 61.3450 39.2704 177.0202 42 L 3.2942 7.8825 118.7851 57.6794 41.3407 179.1106 43 L 3.9246 7.5382 119.5461 58.4789 41.7458 179.1391 44 I 3.7562 7.5766 119.5551 64.2776 37.1393 178.3820 45 I 3.7077 7.7687 113.8595 64.0045 37.1774 177.6320 46 L 3.9302 8.4784 122.8320 57.9743 42.0216 178.5569 47 E 4.0077 8.6774 118.9758 59.2107 29.5664 179.6548 48 I 4.0916 7.7793 121.6042 63.6500 37.0699 177.5802 49 Y 4.0945 7.6843 119.2842 60.3226 38.6846 176.4316 50 N 4.6571 8.2169 115.2460 52.8060 39.0385 174.4929 51 S 3.8106 7.5573 112.4785 60.3018 61.2189 173.5219 52 T 4.1446 8.0034 118.1819 64.3486 69.0903 174.7574 53 L 4.5457 7.5727 122.5662 52.9732 42.6186 174.9256 54 I 4.2550 7.9559 125.7232 60.4565 38.3667 176.6268 55 L 4.4259 8.0818 123.1599 52.9105 43.6708 175.1615 56 D 4.4474 8.7140 123.1053 54.5678 39.3750 176.0352 57 G 3.9498 8.8504 114.3130 45.3638 0.0000 173.7509 58 V 3.9888 8.2903 120.6062 59.8674 31.4564 175.2119 59 N 4.6760 8.3238 124.8217 51.6989 39.2311 175.7137 60 V 3.8722 7.8938 123.1893 60.4693 29.6921 174.6940 61 S 4.5510 7.1313 117.4130 56.4706 67.6319 175.6571 62 W 3.9822 8.6023 120.4864 59.5935 28.6383 177.5285 63 K 4.1907 7.6140 117.1429 57.0928 32.4946 177.4540 64 A 3.7478 8.7718 122.8551 53.2001 16.0731 176.4493 65 L 4.8170 7.6352 117.2562 53.1264 45.2114 176.7283 66 G 3.8040 8.4326 108.1802 46.5156 0.0000 172.7614 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 4.22 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 3 R 7.85 4.14 0.00 1.82 1.82 0.00 3.25 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 4 R 8.12 4.28 0.00 1.85 2.00 0.00 3.52 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 5 T 8.12 4.67 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 1.30 0.00 0.00 6 W 9.16 4.17 0.00 3.41 3.26 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 7 L 8.55 3.27 0.00 2.05 1.74 0.85 1.01 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 8 G 7.86 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 0.00 0.00 0.00 9 D 8.33 4.41 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 10 I 6.96 3.44 1.51 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.01 0.64 0.00 0.00 11 L 7.61 4.33 0.00 1.62 1.62 0.88 0.66 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 12 R 7.73 3.85 0.00 1.81 2.20 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 13 P 0.00 4.33 0.00 2.22 2.26 0.00 3.81 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 2.02 1.94 0.00 14 L 7.07 3.76 0.00 1.88 1.80 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.26 4.85 0.00 2.60 2.67 0.00 0.00 7.06 7.51 0.00 0.00 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 S 7.99 4.70 0.00 3.98 4.11 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 0.00 0.00 0.00 0.00 17 E 8.61 4.59 0.00 2.00 2.02 0.00 0.00 0.00 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 2.30 0.00 18 Y 8.92 4.06 0.00 2.91 2.33 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 19 G 8.74 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 0.00 0.00 0.00 20 K 7.50 3.77 0.00 1.82 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.31 7.81 21 V 7.95 4.48 2.02 0.00 0.00 0.00 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 0.88 0.00 0.00 22 A 8.22 4.31 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 23 P 0.00 4.64 0.00 2.24 2.18 0.00 3.83 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 2.05 1.96 0.00 24 G 8.25 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 0.00 0.00 0.00 25 W 9.47 4.29 0.00 3.45 3.34 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 26 G 7.14 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 27 T 8.66 4.25 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 1.23 0.00 0.00 28 T 7.52 3.76 4.64 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 1.42 0.00 0.00 29 P 0.00 4.37 0.00 2.28 2.29 0.00 4.03 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 2.08 2.13 0.00 30 L 7.99 4.19 0.00 1.88 1.96 1.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.18 4.11 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 32 A 8.60 4.24 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 33 V 7.59 3.93 2.21 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 0.97 0.00 0.00 0.99 0.00 0.00 34 F 8.35 4.00 0.00 3.15 3.11 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 0.00 0.00 0.00 0.00 35 M 8.45 4.33 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 36 G 7.81 3.70 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 0.00 0.00 0.00 37 L 8.20 4.11 0.00 1.91 1.79 0.71 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.20 4.71 0.00 3.19 3.38 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 39 L 8.23 3.82 0.00 1.95 1.92 0.94 0.78 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 40 V 7.83 3.66 2.28 0.00 0.00 0.00 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 1.05 0.00 0.00 41 F 8.48 4.38 0.00 3.11 3.35 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 42 L 7.88 3.29 0.00 1.34 1.34 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.54 3.92 0.00 1.71 1.82 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.58 3.76 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.69 0.96 0.00 0.00 45 I 7.77 3.71 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.86 0.00 0.00 46 L 8.48 3.93 0.00 1.66 1.85 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.68 4.01 0.00 2.10 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 2.32 2.52 0.00 48 I 7.78 4.09 2.01 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 1.53 1.60 0.86 0.00 0.00 49 Y 7.68 4.09 0.00 3.08 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 50 N 8.22 4.66 0.00 2.75 2.80 0.00 0.00 7.34 7.25 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 51 S 7.56 3.81 0.00 4.08 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 52 T 8.00 4.14 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 1.21 0.00 0.00 53 L 7.57 4.55 0.00 1.63 1.65 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.96 4.26 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 1.41 0.94 0.91 0.00 0.00 55 L 8.08 4.43 0.00 1.63 1.54 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.71 4.45 0.00 2.75 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 57 G 8.85 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 58 V 8.29 3.99 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 0.75 0.00 0.00 0.88 0.00 0.00 59 N 8.32 4.68 0.00 2.64 2.76 0.00 0.00 7.27 7.71 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 60 V 7.89 3.87 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 0.63 0.00 0.00 0.94 0.00 0.00 61 S 7.13 4.55 0.00 3.82 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 62 W 8.60 3.98 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.61 4.19 0.00 1.90 1.82 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.58 7.81 64 A 8.77 3.75 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.82 0.00 1.79 1.72 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.43 3.80 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 0.00 0.00 0.00