NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.6019 8.1133 121.1210 56.2428 31.9330 173.7895 2 I 4.7579 8.9621 126.8609 59.2906 40.2760 172.6670 3 C 5.2022 9.7223 124.2852 54.8070 44.9047 173.3362 4 F 5.0396 8.8541 120.1159 57.3994 39.3578 175.1318 5 N 5.5561 9.4174 118.1208 51.7666 38.5668 174.1098 6 H 4.6516 8.4708 114.0504 55.2754 30.3058 174.2037 7 Q 4.4945 8.4869 121.6191 56.0394 31.0822 176.2625 8 G 3.6995 8.0553 113.6432 47.3376 0.0000 174.2653 9 S 4.6735 8.4343 116.6369 57.8164 63.2010 174.4040 10 Q 4.2261 7.5612 119.3318 55.2873 29.1263 174.3259 11 P 4.2202 0.0000 0.0000 63.0488 31.7977 176.5959 12 Q 3.6416 8.3190 121.1975 55.8403 29.4627 175.6165 13 T 4.9780 8.4004 111.8096 60.0664 72.4088 172.6662 14 T 5.2182 8.5298 112.0532 59.9334 72.3670 172.8850 15 K 4.5863 8.9569 123.1114 55.1178 35.8490 174.9761 16 T 4.6483 8.5236 124.1558 62.8884 69.2104 175.5946 17 C 4.6886 8.9090 124.8626 56.1705 41.0563 173.9646 18 S 4.3852 8.5348 115.8570 57.8088 63.0596 172.5968 19 P 4.4795 0.0000 0.0000 64.3005 31.4558 177.2317 20 G 3.9204 8.9277 110.7985 45.1721 0.0000 172.8581 21 E 4.2224 7.9207 121.5061 55.6271 29.9551 176.1033 22 S 4.6112 8.6905 119.7481 58.3075 64.6955 173.5448 23 S 5.3047 8.3673 117.6561 57.2904 65.8818 172.3347 24 C 5.6285 9.1410 118.1955 55.5319 38.8539 172.7299 25 Y 5.4879 8.6364 118.2133 55.5264 42.0195 173.7830 26 N 5.2677 9.5002 118.2668 52.0815 42.3580 172.7077 27 K 5.2889 9.6642 128.2972 54.9034 35.3848 174.7855 28 Q 5.6501 9.7024 125.2054 53.3477 33.5077 174.0512 29 W 5.4429 8.0462 118.4154 56.0178 31.8503 172.8716 30 S 5.1695 8.8816 115.2407 56.9008 65.9424 173.5136 31 D 5.1724 8.6105 121.9664 51.3500 42.1990 176.0813 32 F 4.3632 9.0677 112.8874 59.4532 37.8015 176.1282 33 R 4.0266 8.4312 120.0275 55.5268 30.9847 176.9052 34 G 3.7302 6.5346 103.8478 45.9418 0.0000 170.0151 35 T 4.7205 7.8587 116.9366 62.3536 69.9129 174.5102 36 I 4.1044 8.2195 127.5285 59.2791 39.8831 174.7175 37 I 4.6921 7.9435 126.3748 59.6695 40.2386 174.1380 38 E 5.0514 9.4805 127.1208 54.6236 32.8879 175.5828 39 R 4.8174 7.5168 119.7830 53.5100 35.0393 174.9683 40 G 4.0988 6.4791 105.7981 46.4494 0.0000 172.7631 41 C 4.8159 9.0295 117.0315 57.5519 41.4481 175.0691 42 G 3.8626 9.6848 109.7545 45.2447 0.0000 173.1311 43 C 4.8292 8.0753 116.6523 53.4360 43.7310 171.6996 44 P 4.4122 0.0000 0.0000 62.0322 31.7012 177.0629 45 T 3.9608 7.9841 115.9227 62.9795 68.9639 174.9371 46 V 3.5862 8.2955 125.3676 63.1296 32.1190 175.3255 47 K 4.5646 8.2548 126.3650 53.5311 34.2573 174.0354 48 P 4.2810 0.0000 0.0000 64.5439 31.5222 177.0755 49 G 3.9505 8.9197 110.0852 45.5500 0.0000 172.7076 50 I 4.5527 7.3033 119.9427 59.4587 39.1145 175.3566 51 K 4.4775 8.9583 126.5438 55.3583 33.4721 175.4714 52 L 5.2691 8.5868 126.6357 53.2251 45.0912 175.2942 53 S 4.7409 9.3157 120.1388 56.8196 65.2611 171.8535 54 C 5.7585 9.0144 124.0837 55.5142 44.0487 172.0393 55 C 5.0440 9.0579 115.1688 53.5977 45.2335 173.3068 56 E 5.1271 8.4987 116.2004 53.5654 29.4158 174.7766 57 S 4.6430 7.4108 112.0408 56.4120 66.6351 174.3835 58 E 3.7396 8.8225 120.4765 58.8378 29.8390 178.4246 59 V 2.9038 8.0376 117.2920 62.4503 29.2905 172.3241 60 C 4.5997 7.9552 114.6801 56.3676 42.6605 173.7323 61 N 4.9021 7.9410 117.4507 52.7858 37.5175 174.3975 62 N 4.3334 8.4269 122.9071 54.7071 39.0275 174.3992 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 R 8.11 4.60 0.00 1.95 1.96 0.00 3.18 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 2 I 8.96 4.76 1.88 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 1.18 0.75 0.82 0.00 0.00 3 C 9.72 5.20 0.00 2.75 2.84 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 4 F 8.85 5.04 0.00 3.10 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 5 N 9.42 5.56 0.00 2.64 2.81 0.00 0.00 6.93 7.88 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 6 H 8.47 4.65 0.00 3.26 3.39 0.00 5.51 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.49 4.49 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 8 G 8.06 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 9 S 8.43 4.67 0.00 3.92 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 10 Q 7.56 4.23 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 11 P 0.00 4.22 0.00 2.00 1.96 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 12 Q 8.32 3.64 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 13 T 8.40 4.98 4.32 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 1.23 0.00 0.00 14 T 8.53 5.22 4.15 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 0.00 0.00 0.00 1.11 0.00 0.00 15 K 8.96 4.59 0.00 1.82 1.61 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.44 7.81 16 T 8.52 4.65 4.23 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 1.20 0.00 0.00 17 C 8.91 4.69 0.00 2.85 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.39 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 4.48 0.00 2.04 1.99 0.00 3.69 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 2.03 2.09 0.00 20 G 8.93 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 21 E 7.92 4.22 0.00 1.95 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 2.34 2.31 0.00 22 S 8.69 4.61 0.00 4.03 4.07 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 23 S 8.37 5.30 0.00 3.84 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 24 C 9.14 5.63 0.00 2.83 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 25 Y 8.64 5.49 0.00 3.05 3.22 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 26 N 9.50 5.27 0.00 2.74 2.72 0.00 0.00 7.00 7.90 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 27 K 9.66 5.29 0.00 2.17 2.02 0.00 1.92 0.00 0.00 1.55 0.00 0.00 2.64 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 Q 9.70 5.65 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.28 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 29 W 8.05 5.44 0.00 3.36 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 30 S 8.88 5.17 0.00 3.78 3.77 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 31 D 8.61 5.17 0.00 3.02 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 32 F 9.07 4.36 0.00 3.19 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 33 R 8.43 4.03 0.00 1.52 1.75 0.00 3.08 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 34 G 6.53 3.73 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 0.00 0.00 0.00 35 T 7.86 4.72 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 1.15 0.00 0.00 36 I 8.22 4.10 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.19 -0.01 0.00 0.00 37 I 7.94 4.69 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.89 0.00 0.00 38 E 9.48 5.05 0.00 2.19 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 2.29 2.25 0.00 39 R 7.52 4.82 0.00 1.57 1.72 0.00 3.23 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 40 G 6.48 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 0.00 0.00 0.00 0.00 41 C 9.03 4.82 0.00 2.94 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 42 G 9.68 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 43 C 8.08 4.83 0.00 2.93 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 44 P 0.00 4.41 0.00 1.97 1.74 0.00 3.52 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.00 45 T 7.98 3.96 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 46 V 8.30 3.59 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 0.78 0.00 0.00 0.91 0.00 0.00 47 K 8.25 4.56 0.00 1.72 1.58 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.66 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.35 1.47 7.81 48 P 0.00 4.28 0.00 2.00 2.00 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 49 G 8.92 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 50 I 7.30 4.55 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.95 0.00 0.00 51 K 8.96 4.48 0.00 1.91 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 52 L 8.59 5.27 0.00 1.61 1.52 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.32 4.74 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 9.01 5.76 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.06 5.04 0.00 2.98 3.15 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 0.00 0.00 0.00 0.00 56 E 8.50 5.13 0.00 1.94 1.91 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 2.21 2.23 0.00 57 S 7.41 4.64 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 3.74 0.00 1.93 1.86 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 2.28 2.25 0.00 59 V 8.04 2.90 0.88 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 0.03 0.00 0.00 0.75 0.00 0.00 60 C 7.96 4.60 0.00 3.10 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 61 N 7.94 4.90 0.00 2.94 2.95 0.00 0.00 6.04 8.04 0.00 0.00 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 N 8.43 4.33 0.00 2.52 2.74 0.00 0.00 7.03 7.56 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