NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8818 8.3544 109.7317 45.5225 0.0000 172.7280 2 S 4.5159 8.2970 118.6075 54.7970 65.8959 170.7670 3 S 4.7384 8.3045 116.4179 56.7487 66.7547 173.4456 4 G 3.8566 8.3495 108.2808 44.4562 0.0000 172.2320 5 S 4.0704 8.7194 120.2838 59.3412 62.0047 173.0087 6 S 4.6136 8.5132 120.0390 58.2325 66.2066 177.0781 7 G 3.9692 8.5637 116.1171 46.9075 0.0000 176.9125 8 M 4.7636 8.7013 121.2965 52.5450 35.2344 174.1911 9 E 3.9380 8.9984 123.4144 57.0420 30.1078 176.3909 10 E 4.6259 8.6787 123.6036 54.7420 31.8849 175.3538 11 W 4.6174 8.9318 124.0795 55.7914 31.1153 176.3664 12 S 4.9189 8.2045 114.0645 56.2435 66.3515 174.9873 13 A 4.0761 8.6351 127.2778 55.8548 18.1605 180.3789 14 S 4.1326 8.1806 112.6535 61.8500 63.0501 176.6403 15 E 4.0818 8.2554 120.3604 59.4468 29.4113 178.8100 16 A 3.9186 8.6338 121.0178 55.7042 18.4926 179.2549 17 C 4.1107 8.2137 114.7204 63.0899 28.0362 176.2633 18 L 4.2504 7.8886 119.1808 58.2707 41.5733 179.0600 19 F 4.4018 8.4707 119.9872 61.3511 39.3117 176.5079 20 E 3.2089 8.1698 117.4882 59.7019 29.4210 179.6627 21 E 3.9827 8.4389 116.8471 59.4394 29.5061 179.0253 22 A 3.6170 8.3271 122.3277 54.5539 18.2946 179.4395 23 L 3.6672 7.3173 119.1338 58.2371 42.0210 178.9487 24 E 3.9301 7.9243 115.6418 59.3970 29.3806 178.3717 25 K 4.0197 7.7779 119.8047 59.4129 32.4785 178.0022 26 Y 4.4151 8.0501 117.6799 60.8255 38.6664 176.0384 27 G 4.3268 8.1812 107.1126 44.4273 0.0000 175.0557 28 K 4.0350 8.3202 116.6216 56.9131 32.1510 177.8926 29 D 4.5056 7.0703 116.7765 51.3177 41.6030 176.7872 30 F 4.3316 6.7712 120.9951 60.9188 39.2667 176.6777 31 N 4.1998 8.0115 115.8933 56.8241 38.3519 176.1183 32 D 4.0296 7.7800 119.4879 57.9931 40.7213 178.7385 33 I 3.6975 7.3486 119.8097 63.6604 37.1423 178.0847 34 R 4.5956 8.7584 121.8359 59.0134 29.6409 178.2142 35 Q 3.9007 8.0485 118.9249 58.4197 29.1453 175.9436 36 D 4.6927 7.7359 117.0959 56.2986 42.3315 178.2431 37 F 3.7819 8.3174 115.9545 60.2299 39.3221 176.8839 38 L 3.4942 8.0675 126.8943 51.6521 42.9046 175.7268 39 P 4.8629 0.0000 0.0000 64.7815 31.8871 178.5472 40 W 4.3030 7.7878 115.0349 58.8521 28.1703 176.7727 41 K 3.9467 6.5822 116.9506 56.2909 31.8788 176.4180 42 S 4.6083 8.1839 116.7789 57.2476 64.3675 175.2318 43 L 4.0485 8.2589 122.5469 58.8210 42.1339 178.8045 44 T 3.8832 7.8094 114.7813 66.8076 67.9446 176.6526 45 S 4.2297 8.2035 116.6082 62.2076 62.6451 177.0747 46 I 4.3427 7.3884 120.8477 64.2136 37.0422 178.3771 47 I 3.3020 8.0253 121.0196 64.5346 37.0041 178.2374 48 E 4.1301 7.9170 118.9593 59.7004 29.3030 178.6026 49 Y 3.6727 7.1856 119.7653 61.2782 38.4905 177.8761 50 Y 4.2800 7.4014 120.2321 60.9483 38.8685 177.8181 51 Y 4.1133 7.4891 117.1308 61.5521 37.8554 178.4969 52 M 4.3570 7.8991 118.1639 57.6419 32.2956 177.6326 53 W 4.0500 8.0166 129.1677 60.0783 30.7257 178.2523 54 K 3.8663 8.0657 118.0936 59.3114 32.3803 178.1410 55 T 4.3555 7.9132 110.8164 61.7446 68.9291 175.0460 56 T 4.2281 7.0642 112.7565 62.5662 69.5118 172.9394 57 D 4.2265 8.3350 117.7408 55.6323 39.0252 174.2166 58 R 4.1680 7.9191 117.5335 54.9403 29.9242 176.4310 59 Y 3.5971 8.2448 128.4987 58.3678 37.1509 172.8163 60 V 3.8772 7.6422 121.1181 63.9022 32.6670 176.8878 61 Q 4.4755 7.7520 117.8542 54.3470 30.2170 174.7321 62 Q 4.5059 8.2088 120.3800 54.8659 30.1839 175.4736 63 K 4.2459 8.4361 123.1036 56.6115 32.9530 176.1882 64 R 4.6963 7.9002 118.3402 54.6653 32.1281 174.9909 65 S 4.4737 8.5027 114.5399 58.0306 63.1171 174.0674 66 G 4.4143 8.0138 110.5160 43.8247 0.0000 171.6592 67 P 4.2791 0.0000 0.0000 63.9048 31.7820 176.2136 68 S 3.6366 7.1124 113.5127 59.2677 60.9593 172.2785 69 S 4.3687 7.9704 113.5042 57.6852 63.2003 173.6687 70 G 3.9308 9.0116 115.6101 45.8529 0.0000 173.3803 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 G 8.35 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 2 S 8.30 4.52 0.00 3.84 3.68 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 0.00 0.00 0.00 3 S 8.30 4.74 0.00 3.93 3.72 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 4 G 8.35 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 5 S 8.72 4.07 0.00 3.86 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 6 S 8.51 4.61 0.00 3.90 3.68 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 0.00 0.00 0.00 7 G 8.56 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 8 M 8.70 4.76 0.00 1.98 1.97 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 2.51 2.57 0.00 9 E 9.00 3.94 0.00 2.04 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 0.00 2.69 2.90 0.00 10 E 8.68 4.63 0.00 2.01 1.92 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 2.29 2.60 0.00 11 W 8.93 4.62 0.00 3.15 3.07 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 0.00 0.00 0.00 0.00 12 S 8.20 4.92 0.00 3.83 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 13 A 8.64 4.08 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 14 S 8.18 4.13 0.00 3.93 3.99 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 0.00 0.00 0.00 15 E 8.26 4.08 0.00 2.35 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 0.00 2.46 2.21 0.00 16 A 8.63 3.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.11 0.00 3.25 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 18 L 7.89 4.25 0.00 2.09 1.98 1.12 0.62 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 19 F 8.47 4.40 0.00 3.28 3.24 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 20 E 8.17 3.21 0.00 2.17 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.07 0.00 21 E 8.44 3.98 0.00 2.26 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 0.00 2.68 2.64 0.00 22 A 8.33 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.32 3.67 0.00 1.21 1.45 0.76 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.92 3.93 0.00 2.14 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 2.33 2.34 0.00 25 K 7.78 4.02 0.00 1.90 1.69 0.00 1.92 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 1.39 7.81 26 Y 8.05 4.42 0.00 2.85 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 27 G 8.18 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 0.00 0.00 0.00 0.00 28 K 8.32 4.03 0.00 1.57 1.49 0.00 1.44 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.27 7.81 29 D 7.07 4.51 0.00 2.47 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 0.00 0.00 0.00 30 F 6.77 4.33 0.00 3.05 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 31 N 8.01 4.20 0.00 2.67 2.66 0.00 0.00 7.20 8.47 0.00 0.00 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 D 7.78 4.03 0.00 1.99 1.54 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 0.00 0.00 0.00 0.00 33 I 7.35 3.70 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.40 0.86 0.00 0.00 34 R 8.76 4.60 0.00 1.84 2.03 0.00 3.16 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 35 Q 8.05 3.90 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 36 D 7.74 4.69 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 3.78 0.00 3.07 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 38 L 8.07 3.49 0.00 1.30 0.57 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.86 0.00 2.20 2.13 0.00 2.20 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 40 W 7.79 4.30 0.00 3.35 3.39 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 41 K 6.58 3.95 0.00 1.47 1.65 0.00 1.10 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.30 1.10 7.81 42 S 8.18 4.61 0.00 3.91 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 43 L 8.26 4.05 0.00 1.66 1.71 1.12 1.05 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 44 T 7.81 3.88 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 1.22 0.00 0.00 45 S 8.20 4.23 0.00 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.39 4.34 2.05 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 1.77 0.68 1.02 0.00 0.00 47 I 8.03 3.30 1.68 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.23 0.51 0.00 0.00 48 E 7.92 4.13 0.00 2.26 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 0.00 2.51 2.49 0.00 49 Y 7.19 3.67 0.00 1.94 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 0.00 0.00 0.00 50 Y 7.40 4.28 0.00 3.06 2.74 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 51 Y 7.49 4.11 0.00 3.20 2.92 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 52 M 7.90 4.36 0.00 1.50 1.90 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 53 W 8.02 4.05 0.00 3.14 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 54 K 8.07 3.87 0.00 1.74 1.61 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.67 7.81 55 T 7.91 4.36 4.19 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 0.00 0.00 1.25 0.00 0.00 56 T 7.06 4.23 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 1.00 0.00 0.00 57 D 8.33 4.23 0.00 2.68 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 58 R 7.92 4.17 0.00 1.82 1.92 0.00 3.52 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 59 Y 8.24 3.60 0.00 3.02 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 60 V 7.64 3.88 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 0.86 0.00 0.00 0.95 0.00 0.00 61 Q 7.75 4.48 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 62 Q 8.21 4.51 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 63 K 8.44 4.25 0.00 1.89 1.77 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.44 7.81 64 R 7.90 4.70 0.00 1.90 1.83 0.00 3.06 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 65 S 8.50 4.47 0.00 4.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.01 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 0.00 0.00 0.00 0.00 67 P 0.00 4.28 0.00 2.18 2.19 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 68 S 7.11 3.64 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.97 4.37 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 70 G 9.01 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