NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0623 8.0244 120.7865 60.4001 39.1534 174.7773 4 K 3.9097 8.5975 129.1156 55.2267 32.7089 172.2775 5 E 4.4522 9.4682 128.4749 54.5286 31.4602 174.6803 6 L 4.0507 8.5684 124.9321 54.4585 42.1988 176.5731 7 H 4.2947 8.8127 123.9073 56.6508 31.0299 173.8230 8 V 4.8048 7.8708 124.5463 61.0979 33.5434 174.7760 9 K 4.5288 8.9444 128.3680 55.2830 35.5928 174.5571 10 T 5.1049 8.6053 124.4599 61.9373 70.2240 174.4366 11 V 4.3203 9.6150 125.8839 59.7699 34.3674 175.3224 12 K 4.8792 8.9078 123.9567 55.3423 33.7874 176.3603 13 R 3.9279 8.6582 119.7247 56.6084 30.7441 176.6881 14 G 4.1074 10.5021 108.6489 46.2498 0.0000 173.3613 15 E 4.1858 8.9030 119.8144 56.3615 31.0730 175.5450 16 N 5.5287 8.4599 118.9005 51.6885 40.5974 174.6177 17 V 4.6434 8.2358 115.8393 59.7923 35.4143 174.4146 18 T 4.9406 8.3468 119.4186 62.0951 70.9467 173.7059 19 M 4.4641 8.8596 126.5404 53.4878 33.7131 175.7703 20 E 5.5276 8.8209 123.3091 54.9548 31.1241 176.8871 21 C 5.6778 7.9288 124.7788 56.2728 45.5697 172.1880 22 S 4.9670 8.0350 118.7712 56.6399 64.5044 173.3378 23 M 3.6987 9.8245 130.0937 57.8085 32.1128 177.6991 24 S 3.4759 8.3127 113.5265 59.8610 60.2156 172.3356 25 K 3.7470 8.6445 129.5279 56.5773 29.7058 176.3720 26 V 3.6058 8.1500 119.9067 62.6776 30.5198 175.8740 27 T 3.7756 8.3282 117.8607 63.8669 69.0351 173.9710 28 N 4.6487 9.0181 126.0837 50.1908 40.2874 174.3167 29 K 3.8828 8.4661 125.4161 57.3474 32.5304 178.2371 30 N 4.1296 9.0015 110.1379 56.5402 38.8982 176.3694 31 N 4.7413 7.6115 111.8709 54.0065 38.6188 174.9350 32 L 5.0882 7.7483 119.9728 53.3283 44.3367 173.6941 33 A 5.6786 7.6943 118.4657 53.2762 22.2223 175.6718 34 W 5.5780 8.7832 114.4483 55.7739 33.8138 174.4084 35 Y 5.0590 9.8342 121.1637 56.6634 40.3818 174.4844 36 R 4.0679 8.0880 122.4296 54.2803 32.6381 174.0874 37 Q 4.7487 8.1107 128.2815 54.4625 30.5898 175.0286 38 S 4.6978 8.3938 122.3229 57.4200 64.8202 173.5817 39 F 3.9770 8.7612 124.4353 60.0679 39.4565 175.6230 40 G 3.7490 8.4935 114.9441 45.2827 0.0000 172.9419 41 K 4.6570 7.3143 116.9313 54.1931 36.1217 176.2221 42 V 4.0778 8.0922 120.7162 59.9246 32.6799 174.4707 43 P 4.5137 0.0000 0.0000 63.1351 32.2456 175.4287 44 Q 4.8804 8.5012 118.0912 53.8845 32.7326 174.5699 45 Y 3.0510 8.7241 123.6710 58.1373 38.9909 173.9402 46 F 4.8359 8.4928 128.4518 58.5225 41.3141 174.9160 47 V 4.1733 6.7984 116.2251 59.7903 34.4731 174.1358 48 R 4.6392 8.5882 126.0045 56.2793 31.5137 174.7293 49 Y 4.8384 8.2346 123.1526 57.7771 39.7653 174.3230 50 Y 4.4802 9.0270 126.5566 55.8683 42.0646 174.2919 51 S 3.7447 8.1747 123.1755 59.7571 62.7460 173.3668 52 S 4.4496 7.7676 118.9977 57.8976 64.6176 176.3600 53 N 4.2608 8.1546 117.7608 56.6514 38.6087 176.7061 54 S 4.0764 8.0280 113.0805 62.8120 62.4104 174.6225 55 G 4.0004 6.9994 112.7162 44.9920 0.0000 172.7578 56 Y 5.1439 6.7084 114.8449 55.6262 42.2488 175.5048 57 K 4.2993 8.5274 118.6604 55.5510 34.3188 174.8542 58 F 4.1258 9.0865 125.9991 57.4318 39.5906 175.0901 59 A 4.0985 7.9261 122.5239 51.2593 19.3350 176.9995 60 E 3.9141 9.2928 119.2756 59.7930 29.9714 179.1570 61 G 3.8618 8.0073 107.9986 46.9420 0.0000 172.7204 62 F 4.5063 8.1317 123.3787 56.8475 40.1475 174.8904 63 K 4.1771 7.5985 126.7044 55.7424 33.3471 174.9434 64 D 4.2951 7.5817 121.4931 53.8834 43.5792 176.4259 65 S 4.3391 8.6941 122.1867 60.0165 63.3452 175.1232 66 R 3.9889 8.7159 120.6800 58.0997 31.2311 176.2679 67 F 5.4464 7.8372 117.6930 56.7921 39.4398 174.9303 68 S 5.1231 8.1053 122.1883 58.3045 66.4636 172.2854 69 M 4.5787 8.1313 115.4880 55.2615 35.9938 174.7281 70 T 4.5014 8.7255 120.8089 62.1730 70.3339 173.6322 71 V 5.1668 8.3915 127.2889 61.5527 33.3505 174.1563 72 N 4.8631 8.7054 126.5167 52.9105 39.4744 173.7182 73 D 4.5108 8.7651 116.1780 57.3419 41.1885 176.6795 74 Q 4.1437 7.7692 119.1733 56.2929 28.6652 176.1214 75 K 4.8841 9.0265 119.6267 54.8865 35.4629 176.2313 76 F 5.6076 8.4563 122.7273 57.9268 38.8722 174.8824 77 D 4.9043 8.5670 119.1890 54.2076 42.3126 177.0263 78 L 4.2641 8.6336 125.3913 54.1481 43.9891 175.0020 79 N 5.4360 8.4858 120.0973 51.5300 43.3286 173.4861 80 I 4.8312 8.4631 122.2110 59.6867 40.9694 174.2147 81 I 4.9859 7.8921 128.4784 59.5523 38.5041 175.2632 82 G 3.5190 8.9096 116.4312 45.4926 0.0000 171.7888 83 A 4.0469 8.8684 125.5059 52.4710 19.4462 177.5972 84 R 5.0532 9.0102 119.4459 53.9541 32.5824 176.7337 85 E 2.8472 8.5232 116.8796 58.6130 29.9212 177.2641 86 D 5.0562 7.5605 117.0711 53.7051 39.8106 177.2862 87 D 4.8071 8.8198 123.0898 57.5330 41.4123 178.0477 88 G 3.9396 8.2373 107.0008 45.0931 0.0000 173.4849 89 G 4.1337 7.6587 108.8119 44.2891 0.0000 170.8435 90 E 5.1626 8.4144 119.7018 54.9439 31.7314 175.2582 91 Y 4.6066 9.1907 121.4920 56.0177 41.2115 174.6847 92 F 5.6117 8.8884 121.8594 55.9078 42.2404 173.6349 93 C 4.5867 9.6194 123.5142 55.0095 41.6043 172.9327 94 G 3.9598 8.5658 113.3821 44.1443 0.0000 169.9974 95 E 4.8130 8.2009 119.6887 53.8476 32.5128 175.1043 96 V 3.9372 8.3912 127.7490 63.3187 32.4046 176.1773 97 E 4.5035 8.8499 128.0125 56.4948 31.6198 174.7145 98 G 4.1672 8.1756 114.1313 44.2104 0.0000 172.4229 99 I 4.3492 8.6080 116.6463 59.8955 38.1001 174.3710 100 I 4.3086 7.4190 122.7921 59.8740 39.0759 174.1947 101 I 4.0558 8.1846 128.2446 59.9411 39.0457 175.2779 102 K 4.3059 8.2257 129.7274 54.4240 32.9686 175.3160 103 F 4.8115 8.2912 124.0949 57.7058 39.3687 175.4142 104 T 4.8351 10.2105 111.2973 61.1542 70.4461 173.1006 105 S 4.8074 7.9223 116.2820 57.7849 67.1072 172.5486 106 G 4.7379 8.4959 105.2741 46.1107 0.0000 172.1003 107 T 5.2390 9.6064 116.9013 61.7152 73.3368 173.2329 108 R 4.8234 9.7658 127.6730 55.1326 31.7328 174.7563 109 L 5.0720 9.1212 130.7415 53.8036 43.1144 174.9807 110 Q 5.2621 9.0952 125.6153 54.6438 32.2933 172.9621 111 F 5.2930 8.1859 118.1188 57.7964 41.7135 173.1285 112 E 3.2164 8.1525 112.5422 55.9381 32.0641 182.1146 113 G 4.3413 7.2443 109.7991 45.8755 0.0000 173.9892 114 S 4.5235 8.0400 118.4705 58.7920 64.3397 174.6843 115 N 4.5547 7.6329 115.4453 53.9292 39.7369 173.0168 116 E 4.4894 8.4103 119.5869 54.9754 31.1845 176.9217 117 G 4.0091 8.3233 106.6144 47.7102 0.0000 174.5421 118 S 4.8428 8.5789 113.8795 57.1762 64.4453 176.5226 119 K 4.4973 7.8467 115.4866 58.0873 34.0315 176.9102 120 S 4.6385 8.2078 113.6257 58.2848 64.1143 173.3697 121 S 4.7592 7.6031 114.6163 56.5288 65.5154 172.7702 122 D 4.3862 8.7349 126.9442 57.4977 41.3352 179.6682 123 G 3.9205 8.2492 107.0309 44.9474 0.0000 173.3232 124 E 3.7651 9.3699 114.6873 56.4142 28.5089 174.7385 125 G 4.0069 7.4383 105.2344 48.3641 0.0000 174.9130 126 S 3.9177 9.0669 111.8344 59.0695 63.4313 177.5949 127 S 4.0222 8.1735 115.2670 57.7173 61.3491 173.8820 128 C 4.3544 8.0671 122.4233 59.4185 28.6998 174.4506 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 3 I 8.02 4.06 1.86 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 1.28 1.33 0.90 0.00 0.00 4 K 8.60 3.91 0.00 1.84 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.60 7.81 5 E 9.47 4.45 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 6 L 8.57 4.05 0.00 1.74 1.73 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.81 4.29 0.00 3.29 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.87 4.80 2.05 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 0.89 0.00 0.00 0.98 0.00 0.00 9 K 8.94 4.53 0.00 1.83 1.54 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.44 7.81 10 T 8.61 5.10 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 11 V 9.61 4.32 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.72 0.00 0.00 12 K 8.91 4.88 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 13 R 8.66 3.93 0.00 2.00 1.88 0.00 3.33 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 14 G 10.50 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 15 E 8.90 4.19 0.00 1.97 1.81 0.00 0.00 0.00 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 2.28 0.00 16 N 8.46 5.53 0.00 2.59 2.67 0.00 0.00 7.42 7.68 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 17 V 8.24 4.64 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 0.72 0.00 0.00 0.77 0.00 0.00 18 T 8.35 4.94 4.19 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 1.18 0.00 0.00 19 M 8.86 4.46 0.00 1.75 1.37 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 20 E 8.82 5.53 0.00 1.94 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 2.49 2.17 0.00 21 C 7.93 5.68 0.00 3.20 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 22 S 8.04 4.97 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.82 3.70 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.87 0.00 24 S 8.31 3.48 0.00 3.92 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 0.00 25 K 8.64 3.75 0.00 1.93 1.90 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.40 7.81 26 V 8.15 3.61 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 0.64 0.00 0.00 0.89 0.00 0.00 27 T 8.33 3.78 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 1.16 0.00 0.00 28 N 9.02 4.65 0.00 2.65 2.62 0.00 0.00 7.33 5.95 0.00 0.00 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 K 8.47 3.88 0.00 1.40 0.74 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.81 1.12 7.81 30 N 9.00 4.13 0.00 2.93 3.03 0.00 0.00 6.86 6.92 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 31 N 7.61 4.74 0.00 2.89 2.91 0.00 0.00 7.00 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 32 L 7.75 5.09 0.00 1.20 1.49 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.69 5.68 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.78 5.58 0.00 3.42 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 35 Y 9.83 5.06 0.00 3.37 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 36 R 8.09 4.07 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.55 0.00 37 Q 8.11 4.75 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 38 S 8.39 4.70 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 39 F 8.76 3.98 0.00 2.99 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 40 G 8.49 3.75 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 0.00 0.00 0.00 41 K 7.31 4.66 0.00 1.84 1.65 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.51 7.81 42 V 8.09 4.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.51 0.00 2.34 2.30 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 44 Q 8.50 4.88 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 45 Y 8.72 3.05 0.00 2.62 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.84 0.00 2.98 2.72 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 47 V 6.80 4.17 0.67 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 0.27 0.00 0.00 0.07 0.00 0.00 48 R 8.59 4.64 0.00 2.21 2.04 0.00 3.61 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 49 Y 8.23 4.84 0.00 2.88 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 50 Y 9.03 4.48 0.00 2.87 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 51 S 8.17 3.74 0.00 3.61 3.68 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 52 S 7.77 4.45 0.00 3.97 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 53 N 8.15 4.26 0.00 2.67 2.87 0.00 0.00 7.00 8.81 0.00 0.00 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 S 8.03 4.08 0.00 3.36 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.00 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 56 Y 6.71 5.14 0.00 3.03 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 57 K 8.53 4.30 0.00 1.41 1.45 0.00 1.08 0.00 0.00 1.29 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.25 7.81 58 F 9.09 4.13 0.00 2.55 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 0.00 0.00 0.00 59 A 7.93 4.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.29 3.91 0.00 2.09 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 2.44 2.38 0.00 61 G 8.01 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 0.00 0.00 0.00 62 F 8.13 4.51 0.00 3.22 3.06 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 0.00 0.00 0.00 63 K 7.60 4.18 0.00 1.72 1.70 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.27 7.81 64 D 7.58 4.30 0.00 2.11 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 0.00 0.00 0.00 0.00 65 S 8.69 4.34 0.00 3.82 3.84 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 66 R 8.72 3.99 0.00 1.20 1.74 0.00 2.98 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 67 F 7.84 5.45 0.00 2.26 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 5.12 0.00 3.97 4.05 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 69 M 8.13 4.58 0.00 1.35 0.57 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.87 0.00 70 T 8.73 4.50 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 1.27 0.00 0.00 71 V 8.39 5.17 2.37 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 1.27 0.00 0.00 1.34 0.00 0.00 72 N 8.71 4.86 0.00 2.90 2.87 0.00 0.00 7.10 7.34 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 73 D 8.77 4.51 0.00 2.72 2.78 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 74 Q 7.77 4.14 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 75 K 9.03 4.88 0.00 1.76 2.00 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.44 7.81 76 F 8.46 5.61 0.00 3.02 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 77 D 8.57 4.90 0.00 2.66 2.55 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 0.00 0.00 0.00 0.00 78 L 8.63 4.26 0.00 0.27 0.59 0.59 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.49 5.44 0.00 2.59 2.56 0.00 0.00 6.87 7.39 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 80 I 8.46 4.83 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.77 0.00 0.00 81 I 7.89 4.99 1.77 0.00 0.00 0.80 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 0.36 0.85 0.00 0.00 82 G 8.91 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.87 4.05 1.30 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 0.00 0.00 84 R 9.01 5.05 0.00 1.99 2.02 0.00 2.89 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 85 E 8.52 2.85 0.00 1.79 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 2.13 2.15 0.00 86 D 7.56 5.06 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 4.81 0.00 3.03 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 88 G 8.24 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 89 G 7.66 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 0.00 0.00 0.00 0.00 90 E 8.41 5.16 0.00 1.52 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 91 Y 9.19 4.61 0.00 2.77 2.90 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 92 F 8.89 5.61 0.00 2.94 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 93 C 9.62 4.59 0.00 1.23 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 0.00 0.00 0.00 0.00 94 G 8.57 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 95 E 8.20 4.81 0.00 1.89 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 96 V 8.39 3.94 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 0.70 0.00 0.00 0.89 0.00 0.00 97 E 8.85 4.50 0.00 1.85 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 2.17 2.21 0.00 98 G 8.18 4.17 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 0.00 0.00 0.00 99 I 8.61 4.35 1.85 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 1.39 0.75 0.89 0.00 0.00 100 I 7.42 4.31 1.81 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 1.19 0.96 0.85 0.00 0.00 101 I 8.18 4.06 1.56 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.63 0.00 0.00 102 K 8.23 4.31 0.00 1.63 1.64 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.30 7.81 103 F 8.29 4.81 0.00 2.91 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 0.00 104 T 10.21 4.84 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 1.25 0.00 0.00 105 S 7.92 4.81 0.00 3.98 4.03 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 0.00 106 G 8.50 4.74 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 0.00 0.00 0.00 107 T 9.61 5.24 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 1.29 0.00 0.00 108 R 9.77 4.82 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 109 L 9.12 5.07 0.00 1.74 1.62 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.10 5.26 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.24 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 111 F 8.19 5.29 0.00 3.00 2.85 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 0.00 112 E 8.15 3.22 0.00 2.04 1.73 0.00 0.00 0.00 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 2.42 0.00 113 G 7.24 4.34 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 0.00 0.00 0.00 114 S 8.04 4.52 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 7.63 4.55 0.00 2.63 2.70 0.00 0.00 6.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.41 4.49 0.00 2.08 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 2.22 2.24 0.00 117 G 8.32 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 0.00 0.00 0.00 118 S 8.58 4.84 0.00 3.97 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 0.00 119 K 7.85 4.50 0.00 1.72 1.78 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.36 7.81 120 S 8.21 4.64 0.00 3.97 4.07 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 0.00 121 S 7.60 4.76 0.00 3.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.73 4.39 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.25 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 0.00 0.00 0.00 124 E 9.37 3.77 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 2.67 2.37 0.00 125 G 7.44 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 0.00 0.00 0.00 126 S 9.07 3.92 0.00 3.91 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.17 4.02 0.00 4.01 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 0.00 128 C 8.07 4.35 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00