NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8475 8.1976 109.7374 45.9275 0.0000 175.0814 4 I 2.9384 8.2870 118.8609 60.2624 38.0076 172.0976 5 R 4.4958 9.1971 124.0847 54.8705 31.8034 176.8265 6 E 4.5471 8.5221 126.2890 55.1188 32.1119 176.1323 7 K 4.8273 8.3879 121.7223 54.8239 32.1470 176.8056 8 I 4.1145 8.2713 126.6809 61.1290 38.9759 175.4295 9 K 4.7528 8.2256 121.4850 55.4256 34.8244 175.9225 10 L 4.6333 8.5756 125.2732 54.3543 42.8939 176.3819 11 V 4.8321 9.0720 124.3347 60.7645 34.5247 174.6688 12 S 3.2475 8.4288 122.0846 57.8672 62.0666 174.5251 13 S 4.2371 8.1912 122.2921 60.6028 63.2267 174.4975 14 A 4.3033 7.4415 123.4095 50.8982 19.4169 177.6377 15 G 3.7149 8.7738 107.9679 49.1997 0.0000 174.3866 16 T 3.8568 7.5767 108.9955 60.7382 69.5082 173.6084 17 G 3.8953 8.4658 110.3536 46.2001 0.0000 173.6082 18 H 4.4790 8.1037 121.1818 56.7385 31.1814 173.9426 19 F 5.2983 6.9876 113.9422 56.5382 40.1280 173.5136 20 Y 4.3291 8.2240 118.7914 58.1162 40.4025 173.9564 21 T 4.5598 8.3454 112.8254 62.3039 70.1404 172.7234 22 T 4.6146 8.1565 123.8654 61.8994 71.2333 171.7641 23 T 5.2531 8.4843 109.2868 60.4246 72.5138 172.7875 24 K 4.5920 8.7271 120.3987 55.6517 37.0377 175.0108 25 N 4.7902 8.7146 119.4652 52.0693 38.2908 175.0312 26 K 3.8680 8.7600 127.3223 59.5098 32.0962 177.5230 27 R 4.1026 7.4809 118.3940 58.9865 30.4690 178.4618 28 T 4.2820 7.8635 104.4379 61.8661 68.7992 175.3112 29 K 4.6010 7.8399 115.7936 56.0740 35.1433 174.3230 30 P 4.4766 0.0000 0.0000 64.8636 32.2831 177.1911 31 E 3.9488 8.1124 117.3225 55.9168 29.6541 176.7882 32 K 3.9729 8.7044 122.8505 56.7462 32.5262 175.9243 33 L 4.3280 8.4704 126.0225 54.3781 42.7628 175.3297 34 E 5.1797 8.1049 124.9682 54.6330 32.9217 175.1435 35 L 4.4822 8.2953 119.7042 55.0432 44.1289 173.6068 36 K 4.8895 8.8393 120.6503 56.7995 32.9220 176.4109 37 K 4.5176 9.1070 122.4035 54.6708 37.3744 174.9187 38 F 4.7912 8.5834 124.5369 58.2051 40.3368 174.0947 39 D 4.9963 9.3513 127.4820 51.4227 41.3892 175.2437 40 P 3.9534 0.0000 0.0000 64.9883 31.8159 178.0830 41 V 3.7283 7.6393 111.2724 62.9193 30.7078 176.6810 42 V 4.0852 7.8393 117.9001 61.6530 32.0771 175.6608 43 R 4.0156 7.3321 115.7933 57.6920 28.4074 175.5827 44 Q 4.8780 6.9044 113.5668 54.6269 34.0511 174.1331 45 H 5.1143 9.0432 118.4388 55.5868 29.5910 174.9165 46 V 4.6022 8.7147 122.6330 60.6562 36.0381 174.1183 47 I 4.4906 8.1975 123.5856 61.2382 38.1293 174.7422 48 Y 4.9599 8.9260 125.1919 56.5975 40.3845 175.0302 49 K 4.9078 8.4447 124.4756 55.5927 36.1141 172.2715 50 E 4.1413 9.0715 122.6285 55.6471 30.4517 174.4181 51 A 5.1487 8.6709 132.0468 52.9601 21.1534 176.7163 52 K 4.2068 8.1586 125.5281 57.6907 32.1461 176.3596 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 3 G 8.20 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 0.00 0.00 0.00 4 I 8.29 2.94 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 1.30 0.64 0.91 0.00 0.00 5 R 9.20 4.50 0.00 1.80 1.88 0.00 3.25 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 6 E 8.52 4.55 0.00 1.91 1.84 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 2.27 2.28 0.00 7 K 8.39 4.83 0.00 1.65 1.82 0.00 1.82 0.00 0.00 0.85 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.32 7.81 8 I 8.27 4.11 1.90 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 1.39 1.14 0.95 0.00 0.00 9 K 8.23 4.75 0.00 1.55 1.70 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.25 7.81 10 L 8.58 4.63 0.00 1.86 1.85 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.07 4.83 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 0.95 0.00 0.00 0.96 0.00 0.00 12 S 8.43 3.25 0.00 3.85 3.62 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 13 S 8.19 4.24 0.00 3.87 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 0.00 14 A 7.44 4.30 1.19 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 0.00 0.00 0.00 15 G 8.77 3.71 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 0.00 16 T 7.58 3.86 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 1.27 0.00 0.00 17 G 8.47 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 0.00 0.00 0.00 18 H 8.10 4.48 0.00 3.23 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.99 5.30 0.00 3.44 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 20 Y 8.22 4.33 0.00 2.78 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.35 4.56 4.48 0.00 0.00 0.00 0.00 0.00 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 22 T 8.16 4.61 4.27 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 1.24 0.00 0.00 23 T 8.48 5.25 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 1.27 0.00 0.00 24 K 8.73 4.59 0.00 1.82 1.91 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.38 7.81 25 N 8.71 4.79 0.00 2.80 2.77 0.00 0.00 6.45 6.75 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 26 K 8.76 3.87 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 27 R 7.48 4.10 0.00 2.02 1.84 0.00 3.18 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 28 T 7.86 4.28 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 1.21 0.00 0.00 29 K 7.84 4.60 0.00 1.79 1.76 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.40 7.81 30 P 0.00 4.48 0.00 2.18 2.26 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 31 E 8.11 3.95 0.00 2.10 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 2.29 2.29 0.00 32 K 8.70 3.97 0.00 1.77 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 33 L 8.47 4.33 0.00 1.59 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.10 5.18 0.00 1.87 1.93 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 2.22 2.43 0.00 35 L 8.30 4.48 0.00 1.68 1.72 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.84 4.89 0.00 1.74 1.91 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.53 7.81 37 K 9.11 4.52 0.00 0.82 0.74 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.31 7.81 38 F 8.58 4.79 0.00 2.84 3.06 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 39 D 9.35 5.00 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.95 0.00 2.13 2.14 0.00 3.28 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 41 V 7.64 3.73 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 0.63 0.00 0.00 0.92 0.00 0.00 42 V 7.84 4.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 43 R 7.33 4.02 0.00 2.05 2.14 0.00 3.21 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 44 Q 6.90 4.88 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 45 H 9.04 5.11 0.00 3.12 3.38 0.00 5.83 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.71 4.60 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 0.94 0.00 0.00 0.96 0.00 0.00 47 I 8.20 4.49 1.87 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 1.36 0.36 0.95 0.00 0.00 48 Y 8.93 4.96 0.00 3.07 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 49 K 8.44 4.91 0.00 1.80 1.66 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 50 E 9.07 4.14 0.00 2.13 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 2.35 2.35 0.00 51 A 8.67 5.15 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 52 K 8.16 4.21 0.00 1.93 1.82 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81