NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3359 8.2544 120.8599 56.7654 30.5545 174.5378 2 C 4.5932 8.3851 123.1265 56.2051 49.7865 169.6903 3 G 2.9800 8.5061 107.9923 43.8262 0.0000 172.3225 4 A 3.9477 8.1950 131.4288 52.2855 18.0412 177.3333 5 G 3.6686 9.0715 113.9255 47.2529 0.0000 173.9745 6 E 4.1548 7.7296 119.5476 54.2220 29.1251 174.4172 7 P 4.4409 0.0000 0.0000 62.0148 30.6477 176.3170 8 W 4.5478 8.5896 132.7206 57.5133 32.5535 175.4858 9 G 4.0784 7.3835 104.3238 45.4587 0.0000 175.2450 10 N 4.8908 9.3157 120.0343 52.1034 39.0057 173.5204 11 A 5.1410 7.7559 119.4999 50.7636 22.3968 177.2465 12 T 4.0596 9.0556 113.5090 61.3251 69.3459 175.3965 13 N 3.1491 8.7452 122.4439 55.3915 37.3069 175.9737 14 L 3.7299 7.5540 119.5931 56.3749 42.3279 176.6433 15 G 3.9706 7.8704 108.4346 45.6744 0.0000 174.1445 16 V 4.3985 7.6523 118.9106 59.7786 35.2019 172.9543 17 P 4.8701 0.0000 0.0000 63.0840 32.4721 176.2954 18 C 4.8567 9.3129 121.7003 56.8904 40.8699 173.3041 19 L 4.4565 8.6819 125.8772 53.8579 43.6168 175.7364 20 H 4.5020 8.4130 118.8607 55.0606 29.3798 177.1701 21 W 3.9708 8.6474 123.7312 59.5913 28.9957 176.9344 22 D 4.7533 8.1324 115.2621 55.2228 40.8893 176.2239 23 E 4.4882 8.1221 117.0985 56.5188 29.7894 175.9261 24 V 3.5839 7.6492 120.3351 61.6786 31.2187 174.0770 25 P 4.5368 0.0000 0.0000 61.7955 31.9142 175.6486 26 P 4.2076 0.0000 0.0000 65.2356 31.2654 176.3506 27 F 4.4576 7.4783 114.7055 55.8027 37.8324 174.1100 28 L 4.6026 8.0384 126.6656 53.4929 43.4395 176.4550 29 E 4.2689 8.2492 125.5916 58.1122 29.9741 177.2976 30 R 4.7054 7.6990 115.9587 54.2201 32.3100 175.3611 31 S 4.7344 8.6629 116.5787 56.4645 63.0137 172.2377 32 P 3.6888 0.0000 0.0000 61.5217 32.0068 175.5977 33 P 4.2121 0.0000 0.0000 65.4264 31.3586 175.6785 34 A 4.4456 6.8569 119.0494 51.0603 22.2905 175.3051 35 S 4.1733 8.6255 113.7852 58.6135 62.8109 173.8227 36 W 4.7818 8.1048 122.4126 56.1045 28.5782 177.2340 37 A 3.5993 7.3331 123.9013 55.5364 17.7734 179.4300 38 E 4.5362 7.8919 112.5724 56.4358 29.4976 177.4406 39 L 3.8022 8.1083 122.8664 55.7638 41.6547 177.9210 40 R 4.1318 7.3643 114.5522 57.4393 28.1277 176.5615 41 G 3.9617 6.8912 103.8738 45.0247 0.0000 176.6339 42 Q 4.1961 8.4392 119.8260 58.4500 28.8322 178.0867 43 P 4.4239 0.0000 0.0000 65.0882 31.7730 174.8072 44 H 5.3038 8.3261 113.9713 53.8035 31.3619 171.4669 45 N 5.3425 9.3907 114.9173 50.6513 39.8513 173.2667 46 F 5.2599 8.6318 127.0543 58.1257 41.8137 173.9297 47 C 4.5022 7.4820 122.3878 58.0625 39.2766 173.6435 48 R 4.6671 9.0979 122.0216 54.5236 33.7922 174.9334 49 S 4.3427 8.2966 116.6845 57.7752 63.4181 172.6029 50 P 4.4182 0.0000 0.0000 65.0635 31.5552 176.0147 51 D 4.6466 8.0448 113.8828 52.4232 44.0227 172.8411 52 G 4.1366 8.1676 109.5656 45.7926 0.0000 175.1428 53 A 4.4922 7.9509 121.6624 51.0263 20.3045 176.1972 54 G 3.9999 8.4589 105.0255 47.8343 0.0000 175.0964 55 R 4.6152 7.9407 118.2629 53.8130 32.9026 173.0390 56 P 4.9387 0.0000 0.0000 62.7161 32.8735 175.4759 57 W 5.9191 8.7260 118.7617 55.5191 32.2080 170.9327 58 C 5.2701 9.2313 115.0055 53.8167 44.0231 172.4506 59 F 5.0972 7.2740 117.7912 56.5740 39.9441 174.7536 60 Y 5.1474 8.9542 122.9528 55.2055 40.8437 174.4863 61 R 5.1895 8.5113 121.7765 54.7117 32.3584 175.1864 62 N 4.8461 9.1343 123.7633 51.3798 39.3891 174.8712 63 A 4.2795 8.4228 118.9292 52.7166 18.1171 178.0425 64 Q 4.4434 8.3607 115.0524 56.6350 29.8087 176.5674 65 G 4.0217 8.3599 106.6820 44.7281 0.0000 173.7919 66 K 4.8118 8.1746 119.4400 55.2231 33.9201 176.2769 67 V 4.6109 9.2798 122.6974 61.4209 33.8203 173.8898 68 D 5.3076 8.1270 127.1072 51.9724 45.3906 174.6959 69 W 5.1068 8.3803 116.5208 55.2813 30.3820 175.7988 70 G 4.2872 9.5069 107.9575 44.8682 0.0000 171.4676 71 Y 4.9819 8.5838 120.6689 58.2264 38.6697 177.3662 72 C 4.4805 9.6480 123.6757 55.9938 36.9125 171.6428 73 D 4.7491 8.8443 118.8772 52.9360 43.7815 175.4912 74 C 6.1286 8.3059 127.2192 57.5110 45.0213 172.9317 75 G 3.5062 8.5393 113.5736 45.7665 0.0000 170.6798 76 Q 4.1827 7.9045 119.2781 55.7865 29.2861 175.8105 77 G 3.7144 8.2860 113.7455 45.9870 0.0000 171.4843 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 8.25 4.34 0.00 1.77 1.94 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 2 C 8.39 4.59 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.51 2.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.19 3.95 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 5 G 9.07 3.67 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 0.00 6 E 7.73 4.15 0.00 1.84 2.23 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 2.44 2.46 0.00 7 P 0.00 4.44 0.00 2.14 2.20 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 8 W 8.59 4.55 0.00 3.21 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.38 4.08 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 0.00 0.00 0.00 10 N 9.32 4.89 0.00 2.84 2.85 0.00 0.00 6.65 8.06 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 11 A 7.76 5.14 1.51 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 0.00 0.00 12 T 9.06 4.06 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 1.23 0.00 0.00 13 N 8.75 3.15 0.00 2.53 2.93 0.00 0.00 6.28 7.89 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 14 L 7.55 3.73 0.00 1.45 1.54 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.87 3.97 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 0.00 0.00 0.00 16 V 7.65 4.40 1.58 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 0.60 0.00 0.00 0.61 0.00 0.00 17 P 0.00 4.87 0.00 2.19 2.22 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 18 C 9.31 4.86 0.00 2.84 2.86 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 19 L 8.68 4.46 0.00 1.52 1.53 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.41 4.50 0.00 3.43 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 8.65 3.97 0.00 3.49 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.75 0.00 2.80 2.79 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 23 E 8.12 4.49 0.00 2.13 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 0.00 2.29 2.26 0.00 24 V 7.65 3.58 2.22 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 0.54 0.00 0.00 0.42 0.00 0.00 25 P 0.00 4.54 0.00 2.35 2.21 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 26 P 0.00 4.21 0.00 1.90 2.15 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 27 F 7.48 4.46 0.00 3.05 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 28 L 8.04 4.60 0.00 1.60 1.62 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.25 4.27 0.00 2.48 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 2.35 2.31 0.00 30 R 7.70 4.71 0.00 1.99 2.02 0.00 3.33 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 31 S 8.66 4.73 0.00 3.94 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 32 P 0.00 3.69 0.00 2.59 2.42 0.00 3.96 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 33 P 0.00 4.21 0.00 1.73 1.94 0.00 2.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.19 0.00 34 A 6.86 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 35 S 8.63 4.17 0.00 3.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.10 4.78 0.00 3.47 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.33 3.60 1.10 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 38 E 7.89 4.54 0.00 1.93 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 2.26 0.00 39 L 8.11 3.80 0.00 1.18 0.81 -0.51 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.36 4.13 0.00 1.92 1.96 0.00 3.24 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 41 G 6.89 3.96 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 0.00 0.00 0.00 42 Q 8.44 4.20 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 7.55 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 43 P 0.00 4.42 0.00 2.26 2.25 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 44 H 8.33 5.30 0.00 3.48 3.55 0.00 5.40 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.39 5.34 0.00 2.69 2.57 0.00 0.00 5.86 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.63 5.26 0.00 3.32 3.32 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 47 C 7.48 4.50 0.00 2.55 2.99 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 0.00 0.00 0.00 48 R 9.10 4.67 0.00 0.72 1.25 0.00 3.28 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.50 0.00 49 S 8.30 4.34 0.00 4.03 3.82 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 50 P 0.00 4.42 0.00 2.10 2.07 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 51 D 8.04 4.65 0.00 2.65 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 52 G 8.17 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 53 A 7.95 4.49 1.24 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 54 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.62 0.00 1.97 1.96 0.00 3.00 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 56 P 0.00 4.94 0.00 2.19 2.00 0.00 3.93 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 2.19 2.17 0.00 57 W 8.73 5.92 0.00 3.67 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 58 C 9.23 5.27 0.00 2.59 3.20 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 59 F 7.27 5.10 0.00 2.36 2.66 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 60 Y 8.95 5.15 0.00 3.13 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 61 R 8.51 5.19 0.00 1.82 1.84 0.00 3.23 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 62 N 9.13 4.85 0.00 3.01 3.03 0.00 0.00 6.87 8.22 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 63 A 8.42 4.28 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 64 Q 8.36 4.44 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.52 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 65 G 8.36 4.02 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 0.00 0.00 0.00 66 K 8.17 4.81 0.00 1.89 1.77 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.39 7.81 67 V 9.28 4.61 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.89 0.00 0.00 68 D 8.13 5.31 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.38 5.11 0.00 3.18 1.78 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 70 G 9.51 4.29 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 0.00 71 Y 8.58 4.98 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 72 C 9.65 4.48 0.00 3.01 3.29 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 73 D 8.84 4.75 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.31 6.13 0.00 3.01 2.99 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 0.00 0.00 0.00 75 G 8.54 3.51 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 0.00 0.00 0.00 76 Q 7.90 4.18 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 77 G 8.29 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