NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4157 8.2649 123.5816 52.0244 22.6672 179.0251 3 K 3.7533 8.3871 117.0879 55.9363 30.8379 176.0329 4 E 4.8730 8.4564 118.1639 55.6870 32.4301 170.0839 5 P 4.7457 0.0000 0.0000 59.9897 33.4543 174.5209 6 C 4.0484 8.6569 124.1560 59.6510 32.0815 175.1223 7 V 3.7378 8.3313 125.8002 64.5663 30.8691 178.1394 8 E 4.0547 8.1066 118.7378 58.3099 29.0833 178.8659 9 S 4.2233 7.5917 113.9321 61.2106 63.2261 176.1596 10 L 4.1147 7.6929 122.1481 57.4093 41.4611 179.6434 11 V 2.6960 7.4631 112.2404 63.6909 31.4310 178.6396 12 S 4.1542 7.4046 112.5462 60.7879 62.4620 176.6301 13 Q 3.9359 7.3353 121.6968 59.1559 28.5903 178.0827 14 Y 4.1611 7.4027 118.6720 58.6866 38.4724 177.4794 15 F 4.7195 7.4501 120.1183 60.8458 38.9504 177.4725 16 Q 4.1269 8.1643 117.2430 59.0913 28.3645 178.7911 17 T 4.2722 7.5256 118.1137 65.9438 68.3771 177.0117 18 V 3.8752 8.0103 120.4379 66.1371 31.6383 178.3180 19 T 3.9567 7.8812 115.6013 66.6699 68.1582 176.5270 20 D 4.4422 8.3472 120.9370 57.3157 40.6566 178.1129 21 Y 4.5241 8.2788 120.4962 60.7266 38.7952 178.4388 22 G 3.5091 7.9995 106.4276 47.4408 0.0000 175.9793 23 K 3.9902 7.8326 120.3486 59.4364 31.9547 179.1064 24 D 4.4781 8.2083 119.2106 57.3505 40.2132 178.9463 25 L 3.8772 7.4737 119.3311 58.1003 41.6398 179.5384 26 M 4.1232 8.0339 118.5533 58.3166 31.6870 178.7132 27 E 4.0169 8.3575 118.9870 59.1567 29.3978 179.1982 28 K 4.0841 7.6713 117.3567 58.3485 32.2217 178.6841 29 V 3.9496 7.0530 116.4601 64.5795 31.7427 177.5551 30 K 4.9959 8.2759 119.7969 58.1714 31.8587 179.4421 31 S 4.1503 7.8260 115.5108 60.8853 62.8248 174.7685 32 P 4.5378 0.0000 0.0000 64.4758 31.4709 177.8336 33 E 4.0934 7.7651 118.9678 58.8738 29.0849 178.6928 34 L 4.5134 7.7112 116.8804 55.7490 42.7754 176.9877 35 Q 4.2889 8.1377 121.1935 55.2367 28.3490 174.2710 36 A 4.6990 7.5762 127.9148 50.6221 21.7592 176.1943 37 E 3.9149 8.7609 112.9275 59.1727 29.5270 179.8013 38 A 3.2728 7.5820 121.8131 54.0247 17.8202 178.9731 39 K 3.7509 7.3851 115.5710 57.8783 31.8403 179.4932 40 S 4.0310 7.1790 115.3490 61.2983 63.0185 175.4253 41 Y 4.4839 6.6898 119.4275 57.7670 38.1441 177.2745 42 F 4.6584 6.9571 119.4166 60.7016 38.8686 176.9742 43 E 4.2121 8.0355 117.5492 58.6268 29.7428 177.7760 44 K 4.5388 7.5279 118.4656 55.5806 31.8389 178.0037 45 S 4.6874 7.5989 108.1806 58.7425 66.1343 174.3284 46 K 4.5665 8.0618 119.3381 56.1012 33.5177 177.2768 47 E 4.2070 8.3508 116.3700 58.3574 29.5494 176.8539 48 Q 4.4306 7.7767 118.1337 56.3793 30.4850 176.7036 49 L 4.1291 7.6495 118.5277 58.5318 42.3478 178.6620 50 T 4.0613 7.7755 115.4224 66.0463 68.7369 174.4018 51 P 4.6167 0.0000 0.0000 63.7325 31.2560 177.6177 52 L 3.9526 7.3271 119.6925 58.5740 41.9884 178.3867 53 I 4.0176 7.6600 119.0720 63.7488 37.3626 177.6141 54 K 4.2441 7.8327 117.3096 57.5387 32.0713 178.7215 55 K 3.9956 7.9940 120.5699 59.2402 32.0237 178.3417 56 A 4.2446 7.9314 120.6685 54.3391 17.9614 179.7552 57 G 3.5615 7.7623 104.2934 47.8806 0.0000 175.0916 58 T 4.3476 7.8038 112.1407 62.8906 68.1587 174.3570 59 E 4.2213 8.0258 120.4488 58.3173 29.7594 177.3485 60 L 4.2283 7.8334 117.8043 57.9085 42.1859 179.6031 61 V 3.6485 8.0076 117.6695 66.1936 31.5605 177.6549 62 N 4.5853 8.2017 115.4756 55.8071 38.6066 177.0727 63 F 4.6355 8.4674 122.6288 61.1665 39.4634 177.2721 64 L 4.4270 8.5196 118.7163 57.4565 41.2953 179.2587 65 S 4.1222 7.7641 112.2557 61.3348 62.2274 175.5172 66 Y 3.9668 7.7568 122.0745 60.5810 38.3608 177.8208 67 F 4.1600 7.6685 118.2726 60.0326 39.0801 177.9022 68 V 3.6669 7.9484 118.2838 66.1896 31.5688 178.1017 69 E 3.9649 8.3134 118.3170 59.0608 28.9809 179.0505 70 L 3.9733 7.6009 119.8415 56.7165 42.1696 177.9765 71 G 4.0372 7.3574 101.1144 44.4920 0.0000 174.2275 72 T 4.3150 7.6935 117.7514 65.7504 69.1846 176.8516 73 Q 3.9848 7.5833 117.9319 58.7451 28.6456 177.2309 74 P 4.3634 0.0000 0.0000 64.4321 31.5179 176.5067 75 A 5.1492 7.4400 119.8133 52.2254 19.5278 177.8761 76 T 4.6376 7.7000 116.7592 64.6784 73.3951 174.6116 77 Q 4.0768 7.6796 123.2240 56.2913 28.7664 174.4707 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 2 A 8.26 4.42 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 3 K 8.39 3.75 0.00 1.82 1.56 0.00 1.68 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 1.44 1.55 7.81 4 E 8.46 4.87 0.00 1.86 1.79 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 2.07 2.16 0.00 5 P 0.00 4.75 0.00 2.14 1.98 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 6 C 8.66 4.05 0.00 2.96 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 7 V 8.33 3.74 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 0.77 0.00 0.00 0.91 0.00 0.00 8 E 8.11 4.05 0.00 2.00 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 2.37 2.34 0.00 9 S 7.59 4.22 0.00 4.00 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 10 L 7.69 4.11 0.00 1.69 1.77 0.93 0.98 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 7.46 2.70 1.25 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 0.99 0.00 0.00 0.65 0.00 0.00 12 S 7.40 4.15 0.00 4.08 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 13 Q 7.34 3.94 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 14 Y 7.40 4.16 0.00 3.13 3.21 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 15 F 7.45 4.72 0.00 2.93 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 16 Q 8.16 4.13 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 17 T 7.53 4.27 4.54 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 1.28 0.00 0.00 18 V 8.01 3.88 2.36 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 1.12 0.00 0.00 1.27 0.00 0.00 19 T 7.88 3.96 4.45 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 1.21 0.00 0.00 20 D 8.35 4.44 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 21 Y 8.28 4.52 0.00 3.16 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 22 G 8.00 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 23 K 7.83 3.99 0.00 2.03 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.75 7.81 24 D 8.21 4.48 0.00 2.75 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 25 L 7.47 3.88 0.00 1.61 1.56 0.49 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.03 4.12 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 27 E 8.36 4.02 0.00 2.16 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 0.00 2.32 2.57 0.00 28 K 7.67 4.08 0.00 1.81 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 V 7.05 3.95 2.20 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 0.83 0.00 0.00 1.00 0.00 0.00 30 K 8.28 5.00 0.00 1.99 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.55 7.81 31 S 7.83 4.15 0.00 3.99 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 32 P 0.00 4.54 0.00 2.24 2.22 0.00 3.36 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.90 0.00 33 E 7.77 4.09 0.00 2.11 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 2.33 2.54 0.00 34 L 7.71 4.51 0.00 1.63 1.76 0.93 0.94 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 35 Q 8.14 4.29 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 36 A 7.58 4.70 1.21 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 0.00 0.00 37 E 8.76 3.91 0.00 1.97 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 2.34 2.31 0.00 38 A 7.58 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.39 3.75 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.64 1.54 7.81 40 S 7.18 4.03 0.00 4.00 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 41 Y 6.69 4.48 0.00 3.27 3.21 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 42 F 6.96 4.66 0.00 3.15 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 43 E 8.04 4.21 0.00 2.07 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 2.36 2.58 0.00 44 K 7.53 4.54 0.00 1.69 1.86 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.48 7.81 45 S 7.60 4.69 0.00 4.00 4.10 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 46 K 8.06 4.57 0.00 1.80 1.76 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.38 7.81 47 E 8.35 4.21 0.00 2.02 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 2.33 2.56 0.00 48 Q 7.78 4.43 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 49 L 7.65 4.13 0.00 1.69 1.88 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.78 4.06 4.25 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 0.00 0.00 1.22 0.00 0.00 51 P 0.00 4.62 0.00 2.27 2.29 0.00 3.53 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 2.23 2.16 0.00 52 L 7.33 3.95 0.00 1.93 1.88 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.66 4.02 1.88 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 1.64 0.69 0.92 0.00 0.00 54 K 7.83 4.24 0.00 1.85 1.85 0.00 1.56 0.00 0.00 2.00 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.56 7.81 55 K 7.99 4.00 0.00 1.99 1.90 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 56 A 7.93 4.24 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 57 G 7.76 3.56 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 0.00 0.00 0.00 58 T 7.80 4.35 4.25 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 0.00 0.00 1.29 0.00 0.00 59 E 8.03 4.22 0.00 2.10 1.85 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 2.22 2.26 0.00 60 L 7.83 4.23 0.00 1.92 1.82 0.97 0.93 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 61 V 8.01 3.65 2.40 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 0.87 0.00 0.00 0.99 0.00 0.00 62 N 8.20 4.59 0.00 3.05 2.91 0.00 0.00 6.76 8.13 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 63 F 8.47 4.64 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.43 0.00 2.14 1.79 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.76 4.12 0.00 3.99 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 66 Y 7.76 3.97 0.00 2.95 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 67 F 7.67 4.16 0.00 3.28 2.93 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 68 V 7.95 3.67 2.24 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 1.03 0.00 0.00 0.99 0.00 0.00 69 E 8.31 3.96 0.00 1.89 1.89 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 0.00 2.30 2.45 0.00 70 L 7.60 3.97 0.00 1.37 1.69 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.36 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.69 4.32 4.22 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 1.20 0.00 0.00 73 Q 7.58 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 74 P 0.00 4.36 0.00 2.12 2.07 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.10 0.00 75 A 7.44 5.15 1.33 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 0.00 0.00 0.00 76 T 7.70 4.64 4.38 0.00 0.00 0.00 0.00 0.00 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 77 Q 7.68 4.08 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00