NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 C 4.5376 8.3293 120.8388 59.1609 31.8388 172.5286 21 K 4.6748 8.1263 125.0097 54.5826 36.6486 173.6470 22 M 4.7807 8.9283 121.3907 55.6774 34.5352 175.7429 23 F 5.3115 8.6684 122.1955 57.0319 43.4159 172.7792 24 I 4.2388 8.7424 127.4755 59.5650 39.5164 174.8289 25 G 3.7700 8.0498 112.8908 44.8953 0.0000 173.5921 26 G 4.4382 9.1125 117.5860 45.2006 0.0000 173.7160 27 L 3.6890 7.7750 121.2382 54.9711 42.3532 176.5775 28 S 4.2443 8.6984 120.6373 58.0713 62.5296 173.7187 29 W 4.5827 8.9929 116.8709 57.2779 27.8327 177.2186 30 Q 4.2703 8.6653 114.2688 57.1847 29.9657 174.7448 31 T 4.0598 7.8725 115.1733 64.5387 69.0866 172.8052 32 T 4.5660 7.7860 115.7202 60.4457 69.9056 172.5977 33 Q 4.2328 7.8946 118.6258 57.4901 28.7217 177.1549 34 E 3.9830 8.1861 119.7120 59.9343 29.7256 179.7304 35 G 3.7787 8.1541 103.6689 47.6812 0.0000 174.7355 36 L 4.3393 8.8690 123.5264 57.8743 42.2273 179.0551 37 R 4.0371 7.9358 117.7666 58.6935 29.8044 177.9860 38 E 4.2405 8.6337 116.2036 57.9995 30.3684 177.4880 39 Y 3.8705 8.2285 121.2876 59.5274 38.7888 176.4442 40 F 3.9837 8.1477 117.2305 57.9621 40.6805 177.6740 41 G 3.7162 8.0545 104.2915 46.7546 0.0000 175.0132 42 Q 4.0659 7.5855 121.3456 58.3366 29.2122 176.4879 43 F 4.8595 6.6597 109.9982 55.9179 39.5369 174.8264 44 G 4.1424 8.6324 110.0830 43.8808 0.0000 170.9661 45 E 4.3029 9.9024 126.9370 56.4590 30.5631 176.6370 46 V 4.6121 8.5308 124.8245 61.7297 32.3100 175.4810 47 K 4.3248 8.0665 128.2767 57.5061 33.3333 175.5783 48 E 5.0626 7.6507 116.9288 56.0625 32.6894 174.4697 49 C 5.3935 8.6657 117.8176 57.1094 33.3713 172.8542 50 L 4.8617 9.2159 119.6263 54.0306 43.1230 175.3553 51 V 4.6864 8.5606 122.9911 61.1499 33.7637 174.0784 52 M 4.7017 7.6391 126.3228 54.1642 36.1162 174.3696 53 R 4.4952 7.9898 120.8702 56.6493 32.9046 172.8546 54 D 4.2942 8.6510 117.1379 53.8770 36.9934 169.8306 55 P 4.3938 0.0000 0.0000 62.4105 31.7429 176.5029 56 L 4.4007 8.5442 124.2346 57.3899 41.7243 176.5808 57 T 4.3382 7.3574 116.2215 61.1905 68.5101 174.4078 58 K 4.4804 8.7699 123.5110 56.9969 33.0691 178.2054 59 R 4.2674 7.2283 116.7742 55.9299 31.2095 175.2031 60 S 4.4855 8.4401 114.1403 59.9815 62.8656 174.9886 61 R 4.5565 8.7683 116.2250 56.2183 29.5462 173.6445 62 G 3.9033 8.2654 107.2967 46.5828 0.0000 173.1263 63 F 4.9995 7.2677 122.0954 55.5203 42.3430 173.4591 64 G 4.2428 8.6454 105.4950 45.6910 0.0000 172.8663 65 F 5.0929 9.9256 126.2058 57.1696 41.2166 175.8796 66 V 4.5728 8.5788 122.0150 61.5902 34.1336 174.9785 67 T 4.7688 8.6715 129.6718 61.7035 65.9704 173.4547 68 F 4.9892 8.0348 117.5231 57.8159 40.7600 175.3599 69 M 3.8900 8.6162 113.6904 55.3172 35.7548 173.7524 70 D 4.3446 7.7808 124.6581 53.0638 45.1374 174.6497 71 Q 3.8667 9.0614 118.6957 59.0399 29.2039 177.9521 72 A 4.6587 7.7971 116.6638 52.5448 19.8811 179.0526 73 G 3.4595 7.9479 103.4477 50.1814 0.0000 175.5674 74 V 3.8664 8.2141 123.9293 66.2924 32.4192 176.4139 75 D 4.3576 8.3572 118.8787 54.9019 40.5092 177.5322 76 K 3.7259 7.6642 124.1165 59.9835 32.4889 178.8616 77 V 3.9482 7.7580 118.4993 65.9392 31.2080 177.6932 78 L 3.9588 8.5326 120.2685 58.1116 41.6550 178.4969 79 A 3.9728 7.2639 119.1119 54.6152 18.2811 178.5073 80 Q 4.6669 8.1559 116.1661 55.5481 30.2029 177.7848 81 S 4.0670 9.1883 119.0274 60.6623 63.1758 175.8100 82 R 4.4414 7.9425 115.1170 54.2896 30.2187 175.4566 83 H 4.5685 8.7646 117.0076 51.5149 30.5280 170.8640 84 E 4.2572 8.6473 121.6804 54.9069 30.8648 172.3212 85 L 4.6207 8.0933 126.6207 56.6094 46.9898 175.4374 86 D 4.5003 8.5230 118.8201 53.3291 41.3836 177.0057 87 S 4.0833 8.0567 110.5257 58.1700 61.5378 168.3570 88 K 4.3824 7.4114 118.7194 55.3899 34.2129 175.6824 89 T 5.0122 8.3289 121.7648 59.9104 65.8969 174.1224 90 I 3.9456 7.7368 126.9836 61.4944 39.0292 174.2548 91 D 5.6180 9.3654 120.5409 51.3099 42.2195 170.7771 92 P 4.3923 0.0000 0.0000 62.6743 32.4258 176.3343 93 K 4.4442 9.0809 124.8074 55.0452 35.0090 175.7954 94 V 4.4335 8.6330 124.5807 61.8906 33.2634 176.9863 95 A 3.6528 7.9670 126.6171 53.7212 18.4140 177.0242 96 F 4.1257 8.5975 115.4025 59.1669 39.3801 174.9937 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 20 C 8.33 4.54 0.00 2.97 2.97 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 21 K 8.13 4.67 0.00 2.07 1.89 0.00 1.34 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.63 7.81 22 M 8.93 4.78 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 23 F 8.67 5.31 0.00 3.30 3.03 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 0.00 0.00 0.00 24 I 8.74 4.24 1.80 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.11 0.69 0.00 0.00 25 G 8.05 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 26 G 9.11 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.69 0.00 1.77 1.60 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.70 4.24 0.00 3.97 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 29 W 8.99 4.58 0.00 3.64 3.13 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 30 Q 8.67 4.27 0.00 1.81 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 7.09 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 31 T 7.87 4.06 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 1.18 0.00 0.00 32 T 7.79 4.57 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 1.24 0.00 0.00 33 Q 7.89 4.23 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 34 E 8.19 3.98 0.00 2.04 1.99 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 2.41 2.43 0.00 35 G 8.15 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.87 4.34 0.00 1.74 1.97 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.94 4.04 0.00 2.08 2.03 0.00 3.21 0.00 0.00 3.43 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 38 E 8.63 4.24 0.00 2.05 2.25 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 2.28 2.57 0.00 39 Y 8.23 3.87 0.00 3.19 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 40 F 8.15 3.98 0.00 3.17 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 41 G 8.05 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 0.00 0.00 0.00 42 Q 7.59 4.07 0.00 1.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 43 F 6.66 4.86 0.00 3.11 3.18 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 44 G 8.63 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.90 4.30 0.00 2.09 2.00 0.00 0.00 0.00 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 2.47 0.00 46 V 8.53 4.61 2.19 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 0.87 0.00 0.00 1.23 0.00 0.00 47 K 8.07 4.32 0.00 1.99 1.86 0.00 1.95 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.54 7.81 48 E 7.65 5.06 0.00 2.07 1.75 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 2.17 2.18 0.00 49 C 8.67 5.39 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.22 4.86 0.00 1.78 1.88 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.56 4.69 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 0.68 0.00 0.00 0.97 0.00 0.00 52 M 7.64 4.70 0.00 0.99 1.70 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.76 0.00 53 R 7.99 4.50 0.00 1.66 1.73 0.00 3.39 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 54 D 8.65 4.29 0.00 2.85 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 55 P 0.00 4.39 0.00 2.08 2.27 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 56 L 8.54 4.40 0.00 1.75 1.82 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.36 4.34 4.26 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 1.25 0.00 0.00 58 K 8.77 4.48 0.00 1.92 1.90 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 59 R 7.23 4.27 0.00 1.98 2.05 0.00 3.26 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 60 S 8.44 4.49 0.00 4.00 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 61 R 8.77 4.56 0.00 1.92 2.00 0.00 3.06 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 62 G 8.27 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 63 F 7.27 5.00 0.00 3.32 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 64 G 8.65 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 0.00 0.00 0.00 0.00 65 F 9.93 5.09 0.00 3.11 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 66 V 8.58 4.57 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 67 T 8.67 4.77 4.31 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 1.33 0.00 0.00 68 F 8.03 4.99 0.00 3.45 3.03 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 0.00 0.00 0.00 69 M 8.62 3.89 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 70 D 7.78 4.34 0.00 2.60 2.42 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 71 Q 9.06 3.87 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.37 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 72 A 7.80 4.66 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 73 G 7.95 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.21 3.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 75 D 8.36 4.36 0.00 2.74 2.41 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 76 K 7.66 3.73 0.00 1.63 0.74 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.06 7.81 77 V 7.76 3.95 2.48 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 1.39 0.00 0.00 1.78 0.00 0.00 78 L 8.53 3.96 0.00 1.72 1.95 0.92 1.14 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 79 A 7.26 3.97 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 80 Q 8.16 4.67 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 81 S 9.19 4.07 0.00 3.83 4.21 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 82 R 7.94 4.44 0.00 2.01 2.21 0.00 3.31 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 83 H 8.76 4.57 0.00 3.32 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.65 4.26 0.00 2.13 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 2.20 2.24 0.00 85 L 8.09 4.62 0.00 1.83 1.59 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.52 4.50 0.00 2.88 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 87 S 8.06 4.08 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.41 4.38 0.00 1.52 1.68 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.61 7.81 89 T 8.33 5.01 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 1.20 0.00 0.00 90 I 7.74 3.95 1.52 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.74 0.00 0.00 91 D 9.37 5.62 0.00 2.57 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 92 P 0.00 4.39 0.00 2.30 2.51 0.00 3.98 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 93 K 9.08 4.44 0.00 1.74 1.83 0.00 1.25 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.57 0.00 0.00 0.00 0.00 1.04 1.34 7.81 94 V 8.63 4.43 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 1.00 0.00 0.00 1.06 0.00 0.00 95 A 7.97 3.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.60 4.13 0.00 2.98 2.97 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