NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3090 8.2649 123.5821 51.0811 19.8028 176.5456 2 P 4.1343 0.0000 0.0000 65.7429 31.4584 175.6194 3 M 4.1279 7.9862 117.5416 54.9451 33.4091 177.3215 4 G 3.9297 8.4104 112.4615 45.6390 0.0000 172.9176 5 S 4.2439 8.6634 114.3799 61.4868 63.4020 175.6213 6 D 4.6981 7.4977 116.6195 52.4140 41.5869 174.8350 7 P 4.3433 0.0000 0.0000 61.7800 31.7363 175.2891 8 P 4.4943 0.0000 0.0000 62.8182 32.2421 176.0734 9 T 4.3004 8.2741 108.8018 62.9235 69.9895 177.3853 10 A 4.4452 7.3772 123.3680 50.9540 19.7698 176.8192 11 C 4.9596 8.1612 119.2284 57.5370 42.6969 173.4880 12 C 4.9957 8.2974 118.0089 55.5536 46.3069 173.9936 13 A 4.1782 8.4567 127.2835 53.6015 19.5344 177.8258 14 S 4.2902 7.3379 109.0392 57.3444 67.0062 173.4764 15 Y 4.8427 7.9330 121.0120 56.9996 40.2156 174.0426 16 T 4.5625 8.6073 115.0914 61.3161 68.4487 175.0206 17 A 4.7397 8.4818 132.5390 51.7919 19.6368 176.0274 18 R 4.5882 7.4332 118.3585 56.7029 34.6623 174.3243 19 K 4.9176 8.4199 119.0305 55.0885 33.9488 175.8899 20 L 4.6130 8.5924 124.0118 52.1377 43.9169 174.3987 21 P 4.1727 0.0000 0.0000 62.4211 32.2399 178.0933 22 R 3.4791 8.0857 117.6810 59.0881 29.4492 178.4585 23 N 4.2549 8.0222 115.8598 55.8287 39.0067 174.6131 24 F 4.9721 7.7923 115.9905 57.1849 39.4614 175.6211 25 V 4.4720 7.4883 118.8446 61.3275 34.2058 174.8800 26 V 3.9277 8.1013 126.3726 64.6212 32.2120 175.9023 27 D 5.0497 7.5927 116.4429 53.3298 46.0152 172.2505 28 Y 5.3293 7.7591 116.8179 55.9452 41.4912 174.0291 29 Y 4.9653 8.6128 118.5987 56.6245 42.5232 173.4390 30 E 4.9357 8.1961 124.6987 54.9562 32.1734 175.4371 31 T 5.0832 7.4449 109.0749 60.1338 70.7646 175.4158 32 S 4.4018 8.3896 117.1672 57.9689 63.3984 173.9618 33 S 4.8086 8.4733 113.9267 58.3253 63.1648 174.6627 34 L 4.4756 7.9547 122.3252 56.8342 43.1139 178.0784 35 C 4.6155 7.9156 114.6835 56.7351 40.9616 173.0034 36 S 4.7314 8.5066 118.5022 58.4222 62.5642 175.4493 37 Q 4.5121 7.6430 119.6745 53.8175 28.7018 172.2284 38 P 4.3755 0.0000 0.0000 63.9865 31.2186 175.7223 39 A 4.6343 8.1741 118.9855 51.0592 23.3737 175.5341 40 V 4.1407 8.2993 123.4797 61.7022 32.8829 175.5062 41 V 4.5890 8.8441 128.7593 62.4575 33.8187 175.2669 42 F 5.3100 9.2075 123.7458 55.7898 42.3019 173.3337 43 Q 4.4858 9.0118 123.9520 56.1029 29.3783 176.6927 44 T 4.6536 8.1559 115.0379 60.1936 70.1315 174.8232 45 K 4.0357 8.3554 121.2263 59.4999 32.4723 178.6809 46 R 4.1961 7.7634 117.3301 58.2920 30.8848 177.6587 47 S 4.4943 7.6545 112.2137 57.5375 64.1315 174.3386 48 K 4.3805 8.0611 120.4568 55.8803 33.8855 176.4771 49 Q 4.2262 8.5450 118.1009 57.2701 29.6390 176.9198 50 V 4.4126 8.4283 121.1000 61.3958 34.3539 173.8847 51 C 5.2721 8.9450 125.8213 56.6952 37.9520 172.8049 52 A 5.2045 9.0107 123.6387 50.0661 22.8649 174.9688 53 D 4.0479 8.8186 121.5596 53.9615 40.7525 175.7732 54 P 4.3446 0.0000 0.0000 65.2962 31.6475 178.2921 55 S 4.2251 8.0803 113.5968 61.3910 62.8744 174.6870 56 E 4.2838 7.9390 118.3454 56.7216 30.1790 177.6257 57 S 4.4878 8.7334 116.0317 60.8886 63.5130 176.7084 58 W 4.1498 8.5668 119.0486 59.5946 27.3596 178.3944 59 V 3.1360 7.6343 118.4255 65.9613 31.2399 177.6451 60 Q 4.0069 8.0261 118.6546 58.9610 28.7749 177.9546 61 E 3.8987 7.9594 119.6802 59.7592 29.5040 178.9468 62 Y 4.3267 7.3346 116.1092 61.1393 37.4725 178.7998 63 V 3.5235 8.0252 119.2510 65.8734 31.4189 177.2731 64 Y 4.0186 7.9269 118.9136 60.1875 38.6019 177.1181 65 D 4.5371 8.3898 119.2708 57.1983 40.9457 178.3076 66 L 4.2177 8.0266 119.0866 58.0141 41.7284 179.1546 67 E 4.1258 7.5313 114.2669 58.1109 29.8103 177.7782 68 L 4.3730 7.1394 117.9930 54.6375 42.5916 176.4426 69 N 4.4475 8.4483 119.2882 54.2357 38.7516 174.0230 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 A 8.26 4.31 1.27 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 0.00 0.00 0.00 2 P 0.00 4.13 0.00 2.13 2.12 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 2.16 0.00 3 M 7.99 4.13 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 4 G 8.41 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 5 S 8.66 4.24 0.00 3.87 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 6 D 7.50 4.70 0.00 2.60 2.56 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 7 P 0.00 4.34 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 8 P 0.00 4.49 0.00 2.20 2.09 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 9 T 8.27 4.30 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 10 A 7.38 4.45 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 11 C 8.16 4.96 0.00 2.97 3.08 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 0.00 0.00 0.00 12 C 8.30 5.00 0.00 2.88 2.75 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 8.46 4.18 1.22 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 0.00 0.00 14 S 7.34 4.29 0.00 3.74 3.66 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 15 Y 7.93 4.84 0.00 3.07 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 16 T 8.61 4.56 4.42 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 1.65 0.00 0.00 17 A 8.48 4.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.43 4.59 0.00 1.69 1.88 0.00 3.15 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 19 K 8.42 4.92 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.60 1.83 7.81 20 L 8.59 4.61 0.00 1.62 1.46 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.17 0.00 2.23 2.01 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 22 R 8.09 3.48 0.00 1.86 1.85 0.00 2.97 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 23 N 8.02 4.25 0.00 2.59 2.67 0.00 0.00 6.80 6.91 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 24 F 7.79 4.97 0.00 3.16 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 V 7.49 4.47 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 0.95 0.00 0.00 0.77 0.00 0.00 26 V 8.10 3.93 2.10 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 0.92 0.00 0.00 0.96 0.00 0.00 27 D 7.59 5.05 0.00 2.60 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 0.00 0.00 0.00 0.00 28 Y 7.76 5.33 0.00 2.57 2.60 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 29 Y 8.61 4.97 0.00 2.95 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 30 E 8.20 4.94 0.00 1.69 1.72 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 2.18 2.28 0.00 31 T 7.44 5.08 4.28 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 1.29 0.00 0.00 32 S 8.39 4.40 0.00 3.88 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 33 S 8.47 4.81 0.00 3.96 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 34 L 7.95 4.48 0.00 1.64 1.74 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.92 4.62 0.00 2.97 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 36 S 8.51 4.73 0.00 3.87 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 37 Q 7.64 4.51 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 7.14 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 38 P 0.00 4.38 0.00 2.06 2.05 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 39 A 8.17 4.63 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 4.14 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 0.44 0.00 0.00 0.85 0.00 0.00 41 V 8.84 4.59 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.04 0.00 0.00 42 F 9.21 5.31 0.00 3.13 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 43 Q 9.01 4.49 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 44 T 8.16 4.65 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 1.29 0.00 0.00 45 K 8.36 4.04 0.00 1.87 1.93 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.56 7.81 46 R 7.76 4.20 0.00 1.77 1.96 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 47 S 7.65 4.49 0.00 3.83 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 48 K 8.06 4.38 0.00 1.83 1.77 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.45 7.81 49 Q 8.55 4.23 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 50 V 8.43 4.41 2.39 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 1.31 0.00 0.00 1.09 0.00 0.00 51 C 8.94 5.27 0.00 3.20 3.30 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 0.00 0.00 0.00 52 A 9.01 5.20 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 53 D 8.82 4.05 0.00 2.82 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.02 2.10 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 55 S 8.08 4.23 0.00 3.84 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 56 E 7.94 4.28 0.00 2.52 2.21 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 2.40 2.56 0.00 57 S 8.73 4.49 0.00 3.91 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 58 W 8.57 4.15 0.00 3.43 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 59 V 7.63 3.14 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 0.96 0.00 0.00 0.84 0.00 0.00 60 Q 8.03 4.01 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 61 E 7.96 3.90 0.00 1.86 1.70 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 2.24 2.28 0.00 62 Y 7.33 4.33 0.00 2.86 2.68 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 63 V 8.03 3.52 2.18 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 0.79 0.00 0.00 0.93 0.00 0.00 64 Y 7.93 4.02 0.00 3.29 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 65 D 8.39 4.54 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.22 0.00 1.70 1.88 1.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.53 4.13 0.00 2.07 1.97 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 2.31 2.34 0.00 68 L 7.14 4.37 0.00 1.83 1.67 1.04 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.45 4.45 0.00 2.66 2.63 0.00 0.00 6.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00