NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5343 8.1833 119.4397 57.6270 41.5062 177.0488 2 L 3.9826 7.8390 120.2850 57.0910 41.3475 177.8466 3 D 4.4346 8.2915 118.9967 57.4223 41.2990 178.5028 4 G 3.6039 7.9500 105.5198 47.8649 0.0000 175.4547 5 I 3.5441 7.3399 121.2776 63.9101 36.7454 177.8080 6 D 4.5361 8.1257 118.8911 57.5440 40.7773 178.7590 7 K 4.0132 7.6127 117.1766 59.3495 32.0584 179.3472 8 A 3.5923 7.7473 121.5431 54.8183 18.1405 179.3609 9 Q 3.9053 9.3886 118.3755 59.2998 29.0899 178.2481 10 E 3.9297 7.9188 120.0224 59.2576 29.6486 178.3533 11 E 4.1255 8.0610 119.1937 59.5682 29.3341 178.2348 12 H 4.0706 8.3906 118.2835 59.2877 29.7298 176.8076 13 E 3.9280 8.0231 119.7849 59.2598 29.5245 178.5710 14 K 3.7691 7.8384 117.3974 58.8196 32.1029 177.2834 15 Y 4.6926 7.2055 111.2784 56.5932 40.1952 174.6150 16 H 3.7698 9.3193 117.0620 56.1103 26.9847 175.3215 17 S 4.3015 7.9687 111.5392 58.2797 63.8978 173.6388 18 N 4.7088 8.3579 118.9419 52.3529 39.2748 176.3499 19 W 4.4068 8.7901 117.6099 60.0304 28.0163 178.6469 20 R 2.8345 6.4596 118.0763 58.4709 29.3479 178.7110 21 A 3.8702 7.5874 120.0212 55.4870 18.4684 179.5829 22 M 4.3789 8.1172 116.5587 58.5051 32.0322 178.6462 23 A 4.2398 8.5802 121.3149 55.5760 18.4191 179.9733 24 S 4.1065 7.7976 111.8903 61.6990 62.9393 176.2583 25 D 4.3285 8.4134 121.2987 56.5089 40.6282 177.9011 26 F 4.5891 8.0312 114.3104 55.8536 40.1081 175.0156 27 N 4.2817 8.1706 115.0691 54.3997 36.5660 174.0220 28 L 4.7766 7.7928 115.5273 52.0350 44.4299 175.6736 29 P 4.5267 0.0000 0.0000 62.2200 32.9359 175.5448 30 P 4.1436 0.0000 0.0000 65.9629 30.7992 178.5481 31 V 3.4805 7.6604 117.4049 65.8894 31.1539 178.0833 32 V 3.5549 7.6391 115.4677 65.9971 31.5037 177.3647 33 A 4.2462 7.8516 120.3602 55.2245 18.2971 179.7351 34 K 3.9352 9.4952 117.1778 59.5224 32.0231 179.1409 35 E 3.9462 8.2498 119.6612 59.2995 29.6169 178.8820 36 I 3.6827 7.5323 119.5659 64.4240 36.9278 178.5488 37 V 3.6379 7.8162 117.3913 65.9252 31.5178 177.4081 38 A 4.1316 7.7882 119.7035 55.2563 18.2436 179.4003 39 S 4.4903 7.7870 112.6940 60.0532 63.3008 174.5964 40 C 4.3342 7.7026 121.8136 58.5705 31.4889 173.5223 41 D 4.4167 8.6389 129.6271 57.2192 40.2401 178.9526 42 K 4.0304 7.9477 117.9926 59.4383 32.3322 177.9559 43 C 4.3177 7.9812 114.6207 61.7404 28.1714 174.3136 44 Q 3.9956 7.8925 121.5696 58.2154 29.0457 176.0393 45 L 4.2200 7.9709 127.0158 54.2453 41.5595 178.0655 46 K 4.3735 8.3934 129.8201 55.2840 31.8012 176.9090 47 G 3.7686 7.6536 116.5727 44.7494 0.0000 175.2293 48 E 3.3913 9.8203 126.1552 55.6995 29.8125 176.5827 49 A 3.8551 9.1323 115.0298 52.8940 19.6930 179.2830 50 M 4.8064 7.9181 115.0512 53.6322 35.0195 176.1843 51 H 3.9161 9.6518 123.2277 57.5088 28.2438 173.0793 52 G 3.9207 7.7931 107.1439 46.2031 0.0000 173.1296 53 Q 4.2808 8.5113 118.6272 55.1612 28.7670 174.6961 54 V 3.1976 7.5073 121.8544 62.1005 32.0528 171.7892 55 D 4.4732 8.4700 121.0246 54.4797 41.0989 176.0911 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 F 8.18 4.53 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.98 0.00 1.81 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.29 4.43 0.00 2.69 2.72 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 7.95 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 3.54 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.87 0.00 0.00 6 D 8.13 4.54 0.00 2.80 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 7 K 7.61 4.01 0.00 1.97 2.01 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.47 7.81 8 A 7.75 3.59 0.67 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 9 Q 9.39 3.91 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 10 E 7.92 3.93 0.00 2.09 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 0.00 2.33 2.32 0.00 11 E 8.06 4.13 0.00 2.40 2.29 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 2.50 2.63 0.00 12 H 8.39 4.07 0.00 3.39 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.02 3.93 0.00 2.00 2.04 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 2.25 2.31 0.00 14 K 7.84 3.77 0.00 1.50 0.74 0.00 1.71 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.56 7.81 15 Y 7.21 4.69 0.00 2.91 2.94 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 16 H 9.32 3.77 0.00 3.12 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.97 4.30 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 18 N 8.36 4.71 0.00 2.61 2.60 0.00 0.00 6.65 7.68 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 19 W 8.79 4.41 0.00 3.62 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.46 2.83 0.00 1.22 1.41 0.00 2.69 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.59 3.87 1.28 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 0.00 0.00 22 M 8.12 4.38 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.79 0.00 23 A 8.58 4.24 1.71 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 0.00 0.00 24 S 7.80 4.11 0.00 3.97 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 25 D 8.41 4.33 0.00 2.78 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 4.59 0.00 3.05 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 27 N 8.17 4.28 0.00 2.88 2.90 0.00 0.00 6.79 7.35 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 28 L 7.79 4.78 0.00 1.70 1.58 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.53 0.00 2.24 2.19 0.00 3.68 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 2.05 2.00 0.00 30 P 0.00 4.14 0.00 1.63 1.35 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 31 V 7.66 3.48 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 0.99 0.00 0.00 0.87 0.00 0.00 32 V 7.64 3.55 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 0.84 0.00 0.00 0.89 0.00 0.00 33 A 7.85 4.25 1.64 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 0.00 0.00 34 K 9.50 3.94 0.00 1.70 1.68 0.00 0.67 0.00 0.00 1.09 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.59 0.69 7.81 35 E 8.25 3.95 0.00 2.13 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 0.00 2.30 2.50 0.00 36 I 7.53 3.68 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.85 0.00 0.00 37 V 7.82 3.64 2.35 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 0.91 0.00 0.00 1.21 0.00 0.00 38 A 7.79 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.49 0.00 3.97 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 40 C 7.70 4.33 0.00 2.90 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 41 D 8.64 4.42 0.00 2.74 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 42 K 7.95 4.03 0.00 1.74 1.81 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 43 C 7.98 4.32 0.00 3.08 3.10 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 44 Q 7.89 4.00 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 45 L 7.97 4.22 0.00 1.68 1.64 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.39 4.37 0.00 1.72 1.75 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.42 7.81 47 G 7.65 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 0.00 0.00 0.00 48 E 9.82 3.39 0.00 2.05 1.15 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 2.22 2.30 0.00 49 A 9.13 3.86 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 50 M 7.92 4.81 0.00 1.97 1.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 51 H 9.65 3.92 0.00 3.21 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.79 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 53 Q 8.51 4.28 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.15 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 54 V 7.51 3.20 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 0.79 0.00 0.00 0.88 0.00 0.00 55 D 8.47 4.47 0.00 2.67 2.51 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 0.00 0.00 0.00 0.00