NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.2828 8.1849 122.4908 54.7640 42.7004 175.8918 14 E 4.1070 8.6203 126.7473 55.4046 30.5650 174.0457 15 T 5.0716 8.6985 120.8783 61.9840 71.6572 173.4861 16 F 4.9388 8.9492 122.8608 54.8047 43.4507 173.0608 17 P 4.3699 0.0000 0.0000 62.7674 32.0965 177.2013 18 L 3.9181 8.3835 124.4228 58.7130 41.8947 179.2948 19 D 4.2968 8.1002 117.2049 57.1800 41.2623 178.2822 20 V 3.5728 7.7238 118.5024 66.0032 31.4690 177.9367 21 L 4.0336 7.7773 117.5963 57.3650 41.4858 179.2098 22 V 4.1935 7.8295 119.1049 64.3129 31.7742 176.8758 23 N 4.8438 8.0788 112.6984 52.2402 39.7625 175.1479 24 T 4.0225 7.3410 118.0166 62.6631 69.3448 174.4729 25 A 4.0351 8.5176 128.2797 52.1053 19.4884 177.9632 26 A 3.9668 8.9213 125.0452 55.3986 18.3862 179.9078 27 E 4.1063 8.1537 111.1168 58.3957 29.7728 177.0834 28 D 4.7982 7.9025 118.3115 53.6027 41.6068 176.0908 29 L 3.9214 7.4948 121.7324 53.9943 42.7872 175.0225 30 P 4.1625 0.0000 0.0000 62.7129 31.6763 177.5915 31 R 3.9021 8.6807 118.8354 59.0590 29.2986 177.8068 32 G 4.0627 7.8823 104.4467 45.5644 0.0000 173.5222 33 V 3.2728 7.3169 121.1066 61.8515 32.1083 174.9135 34 D 4.5121 8.6214 127.0378 53.1630 40.9639 174.8453 35 P 4.2004 0.0000 0.0000 65.3039 31.4430 177.6344 36 S 4.3896 8.1984 112.1950 59.2220 63.7639 174.1988 37 R 5.0369 7.8747 119.5619 53.0880 30.9485 176.9469 38 K 4.0650 8.2712 119.5282 59.6459 31.9320 178.6436 39 E 4.2082 8.3761 117.3431 59.4604 29.2196 178.6540 40 N 4.4732 8.3625 116.3267 55.4250 38.7608 175.8259 41 H 4.7981 8.2317 116.7723 54.7233 29.2091 174.6959 42 L 4.6660 7.2053 121.2531 53.7621 42.6421 177.4931 43 S 4.4179 8.3665 116.3617 58.1926 65.1286 175.0820 44 D 4.4025 8.6052 122.1946 57.6949 40.5808 178.9425 45 E 4.0231 8.1775 118.4523 59.7009 29.4775 179.0922 46 D 4.3915 8.2977 118.8657 57.1051 40.8290 178.5670 47 F 4.0119 8.6812 121.7252 61.0193 39.4238 177.0722 48 K 4.0413 8.4490 119.0620 59.6063 31.8321 178.6477 49 A 3.9520 7.8184 119.6702 55.0250 18.3415 179.5122 50 V 3.3377 7.7523 116.0657 65.5175 30.6648 177.5308 51 F 4.5148 8.0825 116.7402 56.4324 39.3363 177.5506 52 G 4.0237 8.4373 105.3736 45.9275 0.0000 172.5277 53 M 4.9095 7.5278 115.8982 52.4762 34.6704 175.0192 54 T 4.2939 8.3027 109.5883 61.4413 71.1147 175.6049 55 R 3.4895 8.1818 120.6729 59.1983 30.1028 179.3264 56 S 4.0567 7.9562 112.3518 61.2752 62.2811 175.8845 57 A 4.0282 7.9910 122.4603 55.0882 18.4143 179.0392 58 F 4.1730 8.5489 118.9914 61.4404 39.3183 177.2232 59 A 4.0220 8.1032 118.7285 54.3955 18.2447 178.4311 60 N 4.4990 7.5835 112.7839 53.3351 39.2580 175.6408 61 L 4.1289 6.7239 120.6771 53.2513 42.6739 175.2187 62 P 4.2690 0.0000 0.0000 62.3892 32.1013 177.3071 63 L 3.8428 8.6148 123.0111 58.6055 41.8270 179.0834 64 Y 4.4201 7.8927 118.3879 59.4500 37.8076 178.2452 65 K 3.6556 6.8319 121.3146 58.8494 32.2026 178.8256 66 Q 3.5810 7.5608 117.9341 58.8961 28.3741 178.6537 67 Q 4.2771 8.3595 119.2117 59.2719 28.3126 178.7375 68 N 4.4149 8.4074 117.5235 56.2242 38.2645 177.5087 69 L 4.1186 8.1904 120.3700 57.9150 41.7309 179.7196 70 K 4.2298 8.5360 118.4010 59.3783 31.9883 179.5003 71 K 4.0206 8.4703 119.0679 59.7505 31.8010 179.2980 72 E 4.0722 7.7401 116.4767 58.7891 29.4233 178.5651 73 K 4.3373 7.5574 115.8847 55.7081 32.4110 177.3753 74 G 3.9328 7.8594 107.5247 46.3138 0.0000 174.9219 75 L 4.7244 8.0765 116.8486 53.9994 42.3881 176.5401 76 F 4.4571 8.2812 126.5432 58.4951 39.3608 174.7396 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 13 L 8.18 4.28 0.00 1.58 1.66 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.62 4.11 0.00 2.37 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 2.38 2.46 0.00 15 T 8.70 5.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 16 F 8.95 4.94 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.13 2.01 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 18 L 8.38 3.92 0.00 1.73 1.67 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.10 4.30 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.57 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 0.94 0.00 0.00 0.99 0.00 0.00 21 L 7.78 4.03 0.00 1.73 1.75 1.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.83 4.19 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 1.14 0.00 0.00 0.98 0.00 0.00 23 N 8.08 4.84 0.00 2.84 2.81 0.00 0.00 7.11 8.40 0.00 0.00 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 T 7.34 4.02 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 1.18 0.00 0.00 25 A 8.52 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.11 0.00 2.07 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 0.00 2.26 2.26 0.00 28 D 7.90 4.80 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 3.92 0.00 1.64 1.47 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.16 0.00 1.34 1.61 0.00 3.19 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.71 0.00 31 R 8.68 3.90 0.00 1.90 2.06 0.00 3.03 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 32 G 7.88 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.32 3.27 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 0.61 0.00 0.00 0.55 0.00 0.00 34 D 8.62 4.51 0.00 2.80 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 35 P 0.00 4.20 0.00 2.01 2.04 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 36 S 8.20 4.39 0.00 3.97 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 37 R 7.87 5.04 0.00 1.83 1.88 0.00 3.36 0.00 0.00 3.33 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 38 K 8.27 4.07 0.00 2.00 1.95 0.00 1.88 0.00 0.00 2.04 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.67 7.81 39 E 8.38 4.21 0.00 2.28 2.30 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 2.50 2.22 0.00 40 N 8.36 4.47 0.00 2.80 2.81 0.00 0.00 6.95 7.78 0.00 0.00 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 H 8.23 4.80 0.00 3.45 3.66 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.21 4.67 0.00 1.99 1.73 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.37 4.42 0.00 4.06 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 44 D 8.61 4.40 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.02 0.00 2.03 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 2.42 2.42 0.00 46 D 8.30 4.39 0.00 2.87 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 47 F 8.68 4.01 0.00 3.33 3.23 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 0.00 0.00 0.00 0.00 48 K 8.45 4.04 0.00 2.08 2.04 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 49 A 7.82 3.95 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 50 V 7.75 3.34 1.46 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 -0.37 0.00 0.00 0.75 0.00 0.00 51 F 8.08 4.51 0.00 2.44 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 52 G 8.44 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.53 4.91 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.70 0.00 54 T 8.30 4.29 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 1.25 0.00 0.00 55 R 8.18 3.49 0.00 1.58 1.65 0.00 2.81 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.76 0.00 56 S 7.96 4.06 0.00 3.86 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 57 A 7.99 4.03 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 58 F 8.55 4.17 0.00 3.27 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 59 A 8.10 4.02 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 60 N 7.58 4.50 0.00 2.87 2.84 0.00 0.00 7.02 7.32 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 61 L 6.72 4.13 0.00 1.36 1.28 0.76 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.27 0.00 1.61 1.98 0.00 3.33 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 63 L 8.61 3.84 0.00 1.73 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.89 4.42 0.00 3.27 3.23 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 0.00 0.00 0.00 0.00 65 K 6.83 3.66 0.00 0.93 1.45 0.00 1.45 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.37 7.81 66 Q 7.56 3.58 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 1.16 2.03 0.00 67 Q 8.36 4.28 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 68 N 8.41 4.41 0.00 2.78 2.91 0.00 0.00 7.09 6.67 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 69 L 8.19 4.12 0.00 2.19 2.05 1.16 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.54 4.23 0.00 2.34 2.13 0.00 2.08 0.00 0.00 2.08 0.00 0.00 3.18 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.82 2.01 7.81 71 K 8.47 4.02 0.00 1.88 1.78 0.00 1.45 0.00 0.00 1.31 0.00 0.00 2.44 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.84 1.39 7.81 72 E 7.74 4.07 0.00 1.97 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 2.56 2.50 0.00 73 K 7.56 4.34 0.00 1.66 1.66 0.00 1.79 0.00 0.00 1.06 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.47 7.81 74 G 7.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.08 4.72 0.00 1.76 1.82 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.28 4.46 0.00 3.00 3.02 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 0.00 0.00 0.00