NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2611 0.0000 0.0000 61.4632 33.2910 177.6637 17 S 3.6496 8.1207 110.8858 58.6270 60.5598 170.3130 18 R 4.4406 7.4188 118.8038 56.0264 30.2860 177.2959 19 K 3.9305 7.4370 119.9179 56.1505 33.0591 175.6828 20 A 4.2502 7.2027 117.7590 51.3575 22.0864 176.6095 21 K 4.3811 8.0873 123.0583 56.4522 32.8457 178.6440 22 V 3.5658 7.7672 120.0584 65.2525 31.8543 177.8095 23 K 4.2277 7.9217 119.8720 59.5232 32.3518 177.6105 24 A 4.1760 8.2886 120.0167 55.4672 18.4657 178.5230 25 T 4.3050 6.9126 113.5725 60.1234 66.9247 173.1580 26 L 4.2844 6.9437 124.7598 54.9269 45.3481 172.4341 27 G 4.5252 8.2788 109.8433 43.8214 0.0000 172.0221 28 E 4.2174 8.8017 120.0285 56.3256 29.9769 176.3508 29 F 4.9103 7.8957 117.1799 55.3389 40.6208 173.2919 30 D 4.3626 8.6805 123.3217 54.0333 41.6426 177.1344 31 L 3.9322 8.2960 126.4284 57.2922 41.9571 178.0612 32 R 4.2259 7.9863 115.6892 56.8618 30.4827 176.5961 33 D 4.6038 7.7408 118.9846 53.3083 39.5927 175.6205 34 Y 4.5620 8.6004 120.5229 57.5121 38.1535 176.9523 35 R 4.1973 7.1231 118.8706 57.0216 31.8828 176.8602 36 N 4.6639 7.6707 118.6584 52.6008 37.0614 175.1848 37 V 3.6100 7.7902 122.1955 65.8072 31.9560 176.4773 38 E 3.9412 8.2587 117.0707 59.0930 29.3602 179.1245 39 V 3.8440 7.5607 118.0233 63.8676 31.4981 177.9598 40 L 4.2591 7.9647 120.5502 57.3513 41.5544 179.4656 41 K 4.4847 7.8454 117.8709 60.4512 31.8798 178.9144 42 R 3.7065 8.2412 118.1215 58.3487 30.1977 177.2843 43 F 4.6518 9.3155 115.2070 57.2363 39.4475 175.1954 44 L 5.1152 7.3885 121.1816 52.6763 43.5887 176.9346 45 S 4.5145 8.3376 116.3342 57.6338 64.3886 173.9845 46 E 4.0487 8.6902 118.6112 59.0663 29.4272 176.8961 47 T 4.6242 7.2684 115.4584 62.1852 70.7824 174.4446 48 G 3.9403 8.5295 110.8954 46.3673 0.0000 174.1746 49 K 4.2712 7.6477 119.7058 56.1918 33.7432 176.0281 50 I 4.3506 8.1313 123.1842 60.4420 37.6614 176.0920 51 L 4.1221 8.4757 127.9181 54.6218 42.2050 176.0827 52 P 4.5259 0.0000 0.0000 62.0271 32.4157 177.4895 53 R 4.0402 8.7264 119.6021 59.6921 29.6019 179.3404 54 R 3.9631 8.0552 114.5132 59.1968 29.3431 178.2876 55 R 4.3090 8.3727 118.6587 58.3621 30.1619 178.8705 56 T 4.2260 7.8283 109.4462 63.0458 68.7871 176.2668 57 G 3.9821 8.1905 108.9060 44.8699 0.0000 173.2024 58 L 4.4321 7.5319 119.5316 54.5326 42.6830 176.1293 59 S 4.8500 8.0430 113.7734 56.6052 66.2425 174.9415 60 G 3.7153 8.5014 107.4664 47.9941 0.0000 175.4143 61 K 3.9279 7.8778 121.0197 58.7046 32.4995 178.4626 62 E 3.8611 7.8992 118.4370 59.6009 29.4685 179.0384 63 Q 3.9554 8.1259 119.4093 59.2531 28.7397 178.3911 64 R 3.8746 7.5372 119.2880 59.3451 30.0247 178.6670 65 I 3.7485 7.4762 119.0089 64.3747 37.3408 177.9337 66 L 3.9597 8.3531 121.1776 58.2219 41.7236 178.8772 67 A 3.8978 7.9561 120.7148 55.0580 18.1629 179.5652 68 K 3.8594 7.4559 114.3408 59.8381 32.4273 179.3575 69 T 4.0390 8.2650 116.2300 66.7716 68.3342 176.5483 70 I 3.6864 7.6485 121.4242 64.4589 37.2366 178.5356 71 K 3.7415 7.8335 118.1948 58.7263 31.7825 179.2500 72 R 4.0202 8.1306 118.8890 58.8255 30.4162 178.5637 73 A 4.1951 8.0398 119.7785 55.1720 18.3812 179.3714 74 R 4.5095 8.1124 118.5219 59.0567 29.8411 178.8148 75 I 3.8723 7.1518 118.1986 64.2756 38.1754 177.5522 76 L 4.5156 7.8285 119.6945 57.8681 40.1371 177.1496 77 G 4.1126 7.7297 99.8806 46.6918 0.0000 175.4246 78 L 4.3177 8.2718 123.8648 56.0282 42.6036 177.3779 79 L 4.7382 7.4656 117.9863 51.7165 43.8889 174.5420 80 P 4.8235 0.0000 0.0000 63.1854 31.8860 175.7044 81 F 4.5762 8.3435 115.1694 57.8114 40.8600 176.2353 82 T 4.1712 7.4670 110.4256 61.6741 69.7261 171.8959 83 E 4.7014 8.8715 128.4316 54.8374 32.1413 174.4899 84 K 4.5920 8.3001 118.1584 55.1457 34.9845 174.9517 85 L 4.6598 8.0583 121.1384 53.6157 43.5770 176.3226 86 V 4.0822 8.2484 123.2310 63.9932 33.1103 176.2388 87 R 4.5133 7.1890 116.1749 55.6892 30.3240 175.2162 88 K 4.1853 9.0182 129.3653 57.6894 32.8420 175.2376 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 16 P 0.00 4.26 0.00 2.23 2.37 0.00 3.80 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 1.97 2.00 0.00 17 S 8.12 3.65 0.00 4.13 4.01 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 18 R 7.42 4.44 0.00 1.87 1.93 0.00 3.33 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 19 K 7.44 3.93 0.00 1.71 1.67 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 20 A 7.20 4.25 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 21 K 8.09 4.38 0.00 1.86 1.79 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.44 7.81 22 V 7.77 3.57 2.02 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 0.05 0.00 0.00 0.85 0.00 0.00 23 K 7.92 4.23 0.00 2.08 1.91 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.57 7.81 24 A 8.29 4.18 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 25 T 6.91 4.30 4.20 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 1.18 0.00 0.00 26 L 6.94 4.28 0.00 1.68 1.67 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.28 4.53 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 0.00 0.00 0.00 28 E 8.80 4.22 0.00 2.00 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 2.33 2.39 0.00 29 F 7.90 4.91 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.36 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.30 3.93 0.00 1.57 1.66 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.99 4.23 0.00 1.96 2.03 0.00 3.15 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 33 D 7.74 4.60 0.00 2.82 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 34 Y 8.60 4.56 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.12 4.20 0.00 1.56 1.83 0.00 3.04 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.61 0.00 36 N 7.67 4.66 0.00 2.94 2.76 0.00 0.00 6.65 8.12 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 37 V 7.79 3.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 38 E 8.26 3.94 0.00 1.93 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 0.00 2.31 2.44 0.00 39 V 7.56 3.84 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 1.05 0.00 0.00 0.58 0.00 0.00 40 L 7.96 4.26 0.00 1.76 1.89 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.85 4.48 0.00 1.92 2.09 0.00 1.28 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.43 7.81 42 R 8.24 3.71 0.00 1.21 1.31 0.00 3.06 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 43 F 9.32 4.65 0.00 3.32 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 5.12 0.00 1.77 1.57 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.34 4.51 0.00 3.98 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 46 E 8.69 4.05 0.00 1.98 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 2.33 0.00 47 T 7.27 4.62 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 1.26 0.00 0.00 48 G 8.53 3.94 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 0.00 0.00 0.00 49 K 7.65 4.27 0.00 1.74 1.76 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.49 7.81 50 I 8.13 4.35 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.93 0.00 0.00 51 L 8.48 4.12 0.00 1.71 1.68 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.53 0.00 2.19 1.98 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 53 R 8.73 4.04 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 54 R 8.06 3.96 0.00 1.97 2.09 0.00 3.03 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 55 R 8.37 4.31 0.00 1.96 2.03 0.00 3.30 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 56 T 7.83 4.23 4.43 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 1.45 0.00 0.00 57 G 8.19 3.98 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 58 L 7.53 4.43 0.00 1.67 1.64 0.78 1.04 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 59 S 8.04 4.85 0.00 4.06 3.98 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 60 G 8.50 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 61 K 7.88 3.93 0.00 1.81 1.77 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 62 E 7.90 3.86 0.00 2.10 1.91 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 2.27 2.28 0.00 63 Q 8.13 3.96 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 64 R 7.54 3.87 0.00 2.18 2.04 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 65 I 7.48 3.75 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.88 0.00 0.00 66 L 8.35 3.96 0.00 1.51 1.64 0.75 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.96 3.90 1.42 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 0.00 0.00 68 K 7.46 3.86 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 69 T 8.27 4.04 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 1.36 0.00 0.00 70 I 7.65 3.69 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.83 0.00 0.00 71 K 7.83 3.74 0.00 1.93 1.83 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.67 7.81 72 R 8.13 4.02 0.00 2.09 1.87 0.00 2.88 0.00 0.00 2.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 73 A 8.04 4.20 1.41 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 0.00 0.00 74 R 8.11 4.51 0.00 1.68 0.77 0.00 2.53 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 75 I 7.15 3.87 2.14 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 1.69 0.76 0.97 0.00 0.00 76 L 7.83 4.52 0.00 1.72 1.73 1.21 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.73 4.11 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 0.00 0.00 0.00 78 L 8.27 4.32 0.00 1.84 1.74 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.47 4.74 0.00 1.61 1.51 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.82 0.00 2.24 2.20 0.00 3.72 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 2.00 2.01 0.00 81 F 8.34 4.58 0.00 2.93 3.16 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 82 T 7.47 4.17 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 1.28 0.00 0.00 83 E 8.87 4.70 0.00 1.90 1.90 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 2.25 2.26 0.00 84 K 8.30 4.59 0.00 1.72 1.72 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 85 L 8.06 4.66 0.00 1.57 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.25 4.08 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 7.19 4.51 0.00 1.79 1.03 0.00 3.30 0.00 0.00 3.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 88 K 9.02 4.19 0.00 1.90 1.88 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.41 7.81