NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4701 8.3044 118.1951 55.2076 32.5730 174.2787 1 V 4.2740 7.8803 118.4323 60.8327 34.5827 173.2010 2 L 4.4306 8.2504 127.0319 53.6729 43.8897 176.7460 3 S 4.5632 8.6701 117.5152 57.5839 65.4520 175.1530 4 E 4.2856 8.7799 122.1696 59.3774 29.3468 178.8587 5 G 3.6409 8.1067 105.4219 47.8559 0.0000 175.4041 6 E 3.9363 8.0166 120.5767 58.9606 29.3780 179.4578 7 W 4.3854 8.1002 119.0227 59.8791 29.0783 178.5750 8 Q 4.1239 8.5751 118.3108 59.0353 27.9462 178.8781 9 L 4.1050 7.9062 119.6174 57.5951 41.6319 179.7973 10 V 3.7783 7.9030 118.2094 66.2463 31.6295 178.2654 11 L 4.2848 8.5225 118.7967 57.5777 40.9142 179.1064 12 H 4.2220 8.4705 119.0522 59.3001 29.8936 177.7289 13 V 3.4370 7.7614 120.9412 64.3801 31.2947 178.1241 14 W 3.9033 8.5129 128.9262 60.0825 30.2614 177.7528 15 A 3.9731 7.8854 120.2367 54.9694 18.0306 179.4884 16 K 3.9451 7.3259 116.8352 59.3717 32.1420 179.6125 17 V 2.8808 7.0778 118.4886 65.7859 31.0572 177.6300 18 E 3.8632 7.5558 115.7602 58.0040 29.2793 178.4661 19 A 4.1839 7.5183 120.6166 53.6297 19.9304 177.5204 20 D 4.6291 7.9077 116.7597 51.7604 42.2110 175.4343 21 V 3.3639 7.8731 123.3833 65.7025 32.0594 176.7311 22 A 4.0175 7.9452 120.0079 55.0526 18.2476 179.6105 23 G 3.7233 8.1311 105.4894 47.8148 0.0000 175.6987 24 H 4.1719 8.1641 119.2006 58.2810 28.5678 178.0656 25 G 3.5997 8.2272 107.8729 47.8271 0.0000 175.5644 26 Q 3.9646 8.2029 121.8569 59.0061 29.1235 177.6022 27 D 4.3406 8.1430 120.0058 57.6327 40.8569 179.1248 28 I 3.7359 7.9755 120.0040 64.3988 37.0820 178.5437 29 L 3.3939 7.6549 119.8861 57.5923 41.3800 179.6344 30 I 3.6315 7.6836 119.7934 64.2427 37.0140 178.3997 31 R 3.8070 8.0278 119.6299 59.1909 29.8424 178.2246 32 L 3.8598 7.7473 120.0165 58.3886 41.6258 179.0744 33 F 4.5880 7.9439 117.8795 60.5029 38.5185 177.8671 34 K 4.0575 7.9945 117.5541 59.3653 32.0236 179.2567 35 S 4.2889 7.9747 114.5880 60.2602 64.2220 174.4567 36 H 4.6827 8.3364 118.6968 51.6837 29.2281 171.6318 37 P 4.4360 0.0000 0.0000 64.7308 31.3142 177.4824 38 E 4.1091 8.2258 115.9640 59.4148 29.4554 179.1519 39 T 3.6985 8.1207 111.1966 64.4936 68.7764 176.2511 40 L 3.7133 7.9050 122.8514 57.8513 41.7660 178.6178 41 E 4.1588 7.8617 117.5435 58.5215 29.4341 178.5963 42 K 4.4140 8.0582 117.3929 56.9230 33.2237 177.8275 43 F 4.5938 8.0256 119.5596 55.3891 38.1897 175.7089 44 D 4.4199 8.3817 123.2142 56.6549 41.0912 178.1842 45 R 3.8817 7.7246 117.9895 57.8301 30.4692 176.4439 46 F 5.0890 8.1670 114.2198 56.5121 40.6307 176.6593 47 K 3.8737 8.4192 120.6839 59.7330 31.9611 177.7386 48 H 4.3694 8.2866 113.0226 57.7134 28.9435 175.9168 49 L 3.9618 7.2204 120.0950 55.4166 41.7522 176.9859 50 K 4.2740 9.5170 123.4855 57.5156 33.2951 177.0764 51 T 4.7287 7.2889 107.4130 58.9407 73.1942 174.2854 52 E 3.9262 8.6215 120.8352 59.2032 29.7090 178.5260 53 A 3.9889 7.9338 120.5035 55.2957 18.2918 179.3329 54 E 3.9666 7.8372 115.4428 59.6043 29.8128 179.3061 55 M 4.1656 7.9223 118.8586 58.4155 31.8708 178.9684 56 K 3.9725 8.2571 117.4625 59.1023 32.2677 178.6302 57 A 4.3964 7.7087 118.9672 52.2559 18.8943 177.3042 58 S 4.1768 7.4337 113.2145 57.9352 62.7888 174.5064 59 E 4.0330 8.8882 129.2341 59.3746 29.4783 178.2656 60 D 4.5343 8.1455 118.7718 57.1754 41.0012 178.2566 61 L 3.4421 7.9842 120.8889 57.6767 42.1262 178.9410 62 K 3.9503 7.8954 119.5677 59.4351 32.2727 179.0003 63 K 4.0581 8.2060 118.8721 59.7898 31.9344 178.8655 64 H 4.5832 8.7029 118.6814 58.9086 29.9117 177.5078 65 G 3.8528 8.2941 108.0315 47.8409 0.0000 175.8676 66 V 3.5103 7.7275 120.2214 65.8510 31.4078 178.1923 67 T 3.8683 7.7405 115.2532 66.5043 68.4112 176.6863 68 W 4.2888 8.3469 118.7080 59.5473 28.2685 178.1107 69 L 2.8459 6.5798 120.7625 57.6422 41.3488 179.1081 70 T 3.8971 7.7908 115.6554 66.4031 68.1897 176.5700 71 A 4.0282 7.8157 122.8098 55.0197 18.3215 179.4789 72 L 3.8425 7.9846 119.0823 58.0431 42.1520 179.3870 73 G 3.3314 8.2678 105.5791 47.6377 0.0000 175.4852 74 A 3.9998 7.7752 122.1983 54.8851 18.6681 179.6007 75 I 3.7955 7.4326 118.2339 64.5705 37.2334 178.6421 76 L 3.9679 7.7869 119.9688 57.6870 41.1667 179.5623 77 K 4.0059 7.6986 116.7261 58.2851 32.3902 178.7227 78 K 3.9733 7.7820 118.3926 56.0572 32.2950 176.7932 79 K 2.0000 8.2101 117.9275 56.4752 29.9010 175.7136 80 G 3.9895 8.1109 106.5986 45.8815 0.0000 174.6272 81 H 4.5716 7.2685 118.8270 55.0823 27.4137 174.7906 82 H 5.5357 7.2828 111.2326 54.4618 29.5738 176.3436 83 E 3.9552 8.6181 122.5343 60.1175 29.0023 178.6064 84 A 4.0394 7.9260 118.6150 55.3907 17.8502 179.0428 85 E 4.1032 8.1787 116.5513 59.4894 29.4905 179.4357 86 L 4.2645 8.2174 119.1776 57.3297 41.6437 179.2639 87 K 3.9357 7.8439 118.9322 59.2675 32.1175 177.5064 88 P 4.3390 0.0000 0.0000 65.7006 31.2721 178.1552 89 L 4.0555 7.5586 116.9915 57.9609 42.0414 178.8313 90 A 4.2208 8.4746 121.2231 55.0867 18.2513 179.4033 91 Q 3.8963 8.2695 118.3628 59.3831 29.1194 178.6969 92 S 4.0094 8.1725 115.2948 61.8751 63.1136 176.0628 93 H 4.1945 8.6063 119.3126 57.4896 28.2282 177.4388 94 A 2.8750 7.6179 121.9857 54.1608 18.9966 178.4745 95 T 3.8663 7.5583 112.5253 65.3845 69.2485 176.2867 96 K 4.0457 7.6177 120.7691 58.9113 32.6876 177.3225 97 H 4.2640 7.9563 114.7128 56.1608 29.4906 175.5624 98 K 3.2564 7.4686 117.3129 57.0168 28.6324 175.2810 99 I 4.3115 8.1763 118.6356 58.9193 38.5290 175.1012 100 P 4.4918 0.0000 0.0000 62.0583 32.1389 177.6127 101 I 3.6825 8.1837 122.3105 64.5381 36.9087 178.6226 102 K 3.8086 7.9203 119.8802 59.9200 31.8998 178.2050 103 Y 4.1996 7.8342 116.4698 60.6403 37.8440 178.1224 104 L 4.2344 7.9713 120.2671 57.4632 41.6845 179.1989 105 E 4.0776 7.9154 118.4589 59.2951 29.6337 179.0228 106 F 4.5075 7.9232 117.9288 60.7882 38.9855 177.5712 107 I 3.8515 8.0822 118.0299 63.7618 37.7153 178.1406 108 S 4.2566 8.0195 116.0879 61.5196 62.6732 176.1062 109 E 4.0435 8.4467 121.9219 59.2413 29.3739 178.7684 110 A 4.0694 7.9973 120.5355 55.0194 18.4301 179.6969 111 I 3.7632 8.0775 118.3885 64.7499 37.2956 178.6686 112 I 3.8802 7.9125 120.6233 64.6441 36.9788 177.9582 113 H 4.1385 8.4445 119.0194 59.3847 29.6620 177.5634 114 V 3.5851 7.8753 120.0274 65.9646 31.2765 178.0179 115 L 3.7909 7.8881 118.8161 57.8508 41.0549 178.9606 116 H 4.3528 7.8960 117.4496 59.3268 29.8673 177.3032 117 S 4.2028 7.7959 116.1793 61.3735 62.8331 176.2467 118 R 4.1628 7.9314 118.9883 57.2010 31.0678 176.2827 119 H 5.0282 8.3418 116.6174 53.7530 29.8883 173.2541 120 P 4.3112 0.0000 0.0000 66.0258 31.3247 178.9482 121 G 3.6786 8.1728 106.4143 47.5484 0.0000 173.6707 122 N 5.0442 8.3125 115.2904 52.8863 39.5214 174.9404 123 F 4.9239 7.8988 118.4199 56.3435 39.5336 174.1507 124 G 3.9205 7.6483 109.2188 43.7351 0.0000 171.8951 125 A 3.9015 8.4505 120.6843 55.4897 18.2238 179.6439 126 D 4.2061 7.9820 116.4326 57.4641 40.9779 178.7928 127 A 3.9251 7.7417 120.7797 55.0930 18.3637 179.3131 128 Q 3.0814 7.8993 118.5834 58.7825 29.0172 178.6469 129 G 3.4934 8.0670 106.6920 47.6810 0.0000 175.5909 130 A 3.8802 7.8958 123.2798 54.9931 18.3720 179.4371 131 M 3.9988 8.1379 116.8012 58.7292 32.2856 177.9561 132 N 4.3385 8.4907 117.6147 56.5368 39.0664 176.7466 133 K 3.8552 8.1449 120.8265 59.4289 32.2547 178.6395 134 A 3.7986 8.0197 121.1338 55.1469 18.2065 179.6501 135 L 4.1580 8.1950 117.5165 57.7679 41.6110 179.5452 136 E 3.9920 8.6500 119.2570 59.1241 29.3690 178.9955 137 L 3.9450 8.1775 120.5790 58.0980 42.1163 178.6799 138 F 4.1603 8.2716 120.5102 61.6500 39.3003 177.3730 139 R 3.4852 8.2955 117.6473 58.7571 29.8158 179.0582 140 K 3.8409 8.2470 119.7953 59.6516 32.2422 178.7412 141 D 4.3250 8.1290 119.2032 57.3166 40.6194 178.8420 142 I 3.4026 7.5822 120.3555 64.0560 36.9427 178.3161 143 A 3.6871 7.8658 121.5119 54.9359 18.2426 179.5118 144 A 3.9319 7.8349 119.1785 55.2930 18.4543 180.0843 145 K 4.0028 8.0330 117.0078 59.6434 32.0661 179.0026 146 Y 4.4329 8.3230 117.4086 61.2463 37.9918 178.7956 147 K 3.9378 8.1526 120.2226 59.7747 32.0946 178.7002 148 E 4.0628 7.9302 117.0168 59.0438 29.4614 178.5370 149 L 4.3556 7.9049 116.8141 55.1116 41.9776 177.7488 150 G 3.9152 7.9308 107.1813 45.2539 0.0000 172.2645 151 Y 4.7153 7.7298 120.3720 55.3009 40.1679 175.1389 152 Q 3.7643 8.2176 127.0772 59.1869 29.3226 177.1714 153 G 3.9387 6.2739 109.8897 45.6547 0.0000 173.1158 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 0 M 8.30 4.47 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.88 4.27 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 0.88 0.00 0.00 0.95 0.00 0.00 2 L 8.25 4.43 0.00 0.95 0.79 0.59 -0.25 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 3 S 8.67 4.56 0.00 4.05 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 4 E 8.78 4.29 0.00 2.19 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 0.00 2.43 2.51 0.00 5 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.94 0.00 1.91 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 2.21 2.26 0.00 7 W 8.10 4.39 0.00 3.54 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 8 Q 8.58 4.12 0.00 2.32 2.21 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 2.70 2.60 0.00 9 L 7.91 4.10 0.00 1.87 1.75 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.90 3.78 2.46 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 1.17 0.00 0.00 0.95 0.00 0.00 11 L 8.52 4.28 0.00 1.84 1.81 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.47 4.22 0.00 3.44 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.76 3.44 2.43 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 1.04 0.00 0.00 0.88 0.00 0.00 14 W 8.51 3.90 0.00 3.66 3.27 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 15 A 7.89 3.97 1.38 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 0.00 0.00 0.00 16 K 7.33 3.95 0.00 1.36 1.70 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 17 V 7.08 2.88 0.98 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 -0.10 0.00 0.00 0.36 0.00 0.00 18 E 7.56 3.86 0.00 1.97 1.88 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 2.18 2.05 0.00 19 A 7.52 4.18 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 20 D 7.91 4.63 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.36 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 0.94 0.00 0.00 0.78 0.00 0.00 22 A 7.95 4.02 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 23 G 8.13 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 24 H 8.16 4.17 0.00 2.99 3.18 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.23 3.60 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 0.00 0.00 0.00 26 Q 8.20 3.96 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 27 D 8.14 4.34 0.00 2.86 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 28 I 7.98 3.74 2.29 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 1.13 0.00 0.00 29 L 7.65 3.39 0.00 1.52 0.93 0.89 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.68 3.63 1.94 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 1.40 0.96 0.89 0.00 0.00 31 R 8.03 3.81 0.00 1.94 2.06 0.00 3.03 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 L 7.75 3.86 0.00 1.59 1.36 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.94 4.59 0.00 3.12 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 34 K 7.99 4.06 0.00 1.70 1.83 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 S 7.97 4.29 0.00 3.74 3.59 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 36 H 8.34 4.68 0.00 2.93 2.84 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.44 0.00 2.14 2.12 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 38 E 8.23 4.11 0.00 2.29 2.29 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 2.28 2.53 0.00 39 T 8.12 3.70 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 0.84 0.00 0.00 40 L 7.91 3.71 0.00 1.25 1.71 -0.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.86 4.16 0.00 2.18 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 2.37 2.38 0.00 42 K 8.06 4.41 0.00 1.93 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.73 1.95 7.81 43 F 8.03 4.59 0.00 3.23 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 D 8.38 4.42 0.00 2.61 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 45 R 7.72 3.88 0.00 1.45 1.26 0.00 2.98 0.00 0.00 2.79 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 46 F 8.17 5.09 0.00 2.92 2.75 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 47 K 8.42 3.87 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.65 7.81 48 H 8.29 4.37 0.00 3.28 3.42 0.00 5.55 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.22 3.96 0.00 1.55 1.60 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.52 4.27 0.00 1.67 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 51 T 7.29 4.73 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 1.20 0.00 0.00 52 E 8.62 3.93 0.00 2.05 1.97 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 2.36 2.37 0.00 53 A 7.93 3.99 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 54 E 7.84 3.97 0.00 2.12 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 2.34 2.34 0.00 55 M 7.92 4.17 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 56 K 8.26 3.97 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 57 A 7.71 4.40 1.34 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 58 S 7.43 4.18 0.00 4.01 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 59 E 8.89 4.03 0.00 2.15 1.97 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 2.40 2.49 0.00 60 D 8.15 4.53 0.00 2.99 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 61 L 7.98 3.44 0.00 1.29 1.61 -0.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.90 3.95 0.00 1.81 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.21 4.06 0.00 2.13 1.94 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.74 7.81 64 H 8.70 4.58 0.00 3.65 3.66 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.29 3.85 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 0.00 0.00 0.00 66 V 7.73 3.51 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 1.00 0.00 0.00 0.94 0.00 0.00 67 T 7.74 3.87 4.48 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 0.00 0.00 0.00 1.34 0.00 0.00 68 W 8.35 4.29 0.00 3.71 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 69 L 6.58 2.85 0.00 0.73 1.22 0.37 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.79 3.90 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 1.22 0.00 0.00 71 A 7.82 4.03 1.43 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 0.00 0.00 0.00 72 L 7.98 3.84 0.00 1.79 1.71 0.44 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.27 3.33 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 0.00 74 A 7.78 4.00 1.35 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 0.00 0.00 75 I 7.43 3.80 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.94 0.00 0.00 76 L 7.79 3.97 0.00 1.23 1.46 -0.17 0.98 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 77 K 7.70 4.01 0.00 1.64 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.52 7.81 78 K 7.78 3.97 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.66 1.77 7.81 79 K 8.21 2.00 0.00 1.26 0.74 0.00 1.44 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.33 0.82 7.81 80 G 8.11 3.99 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 0.00 0.00 0.00 81 H 7.27 4.57 0.00 3.21 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.28 5.54 0.00 3.31 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.62 3.96 0.00 2.09 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 0.00 2.41 2.43 0.00 84 A 7.93 4.04 1.32 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 0.00 0.00 85 E 8.18 4.10 0.00 2.26 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 2.41 2.48 0.00 86 L 8.22 4.26 0.00 2.03 1.72 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.94 0.00 1.81 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.70 7.81 88 P 0.00 4.34 0.00 2.31 2.34 0.00 3.96 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 89 L 7.56 4.06 0.00 1.87 1.96 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.22 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.27 3.90 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.17 4.01 0.00 4.06 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 93 H 8.61 4.19 0.00 3.60 3.61 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.62 2.88 0.76 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.56 3.87 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 1.11 0.00 0.00 96 K 7.62 4.05 0.00 1.52 1.65 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.33 7.81 97 H 7.96 4.26 0.00 3.00 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.47 3.26 0.00 1.76 1.75 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.17 7.81 99 I 8.18 4.31 2.09 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 1.12 0.00 0.00 100 P 0.00 4.49 0.00 1.65 1.73 0.00 2.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.94 0.00 101 I 8.18 3.68 1.90 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.82 0.00 0.00 102 K 7.92 3.81 0.00 1.69 1.58 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 0.70 7.81 103 Y 7.83 4.20 0.00 3.17 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 0.00 104 L 7.97 4.23 0.00 1.88 1.82 0.74 0.96 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 0.00 105 E 7.92 4.08 0.00 2.06 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 0.00 2.39 2.55 0.00 106 F 7.92 4.51 0.00 3.22 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 0.00 107 I 8.08 3.85 1.85 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 1.00 0.00 0.00 108 S 8.02 4.26 0.00 4.24 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 0.00 109 E 8.45 4.04 0.00 2.18 2.26 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 2.38 2.41 0.00 110 A 8.00 4.07 1.43 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 0.00 0.00 0.00 111 I 8.08 3.76 2.21 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.31 1.11 0.00 0.00 112 I 7.91 3.88 2.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.17 1.15 0.00 0.00 113 H 8.44 4.14 0.00 3.38 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.88 3.59 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 1.02 0.00 0.00 1.03 0.00 0.00 115 L 7.89 3.79 0.00 0.67 0.59 0.81 0.60 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 0.00 116 H 7.90 4.35 0.00 3.52 3.59 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.20 0.00 3.96 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 0.00 118 R 7.93 4.16 0.00 1.59 1.63 0.00 3.07 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 119 H 8.34 5.03 0.00 3.17 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.20 2.27 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 121 G 8.17 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 0.00 0.00 0.00 122 N 8.31 5.04 0.00 2.79 2.93 0.00 0.00 6.67 6.82 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 0.00 123 F 7.90 4.92 0.00 2.98 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 0.00 124 G 7.65 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 0.00 125 A 8.45 3.90 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 0.00 126 D 7.98 4.21 0.00 2.68 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 0.00 127 A 7.74 3.93 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 0.00 128 Q 7.90 3.08 0.00 1.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 129 G 8.07 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.90 3.88 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 0.00 131 M 8.14 4.00 0.00 2.52 2.39 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.93 0.00 132 N 8.49 4.34 0.00 2.88 2.94 0.00 0.00 6.85 7.31 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 0.00 133 K 8.14 3.86 0.00 1.91 1.76 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 8.02 3.80 1.23 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 0.00 0.00 0.00 135 L 8.20 4.16 0.00 1.92 1.85 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.65 3.99 0.00 2.15 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 2.58 0.00 137 L 8.18 3.95 0.00 1.85 1.96 1.02 1.12 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 0.00 138 F 8.27 4.16 0.00 3.11 3.26 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 0.00 139 R 8.30 3.49 0.00 1.99 1.86 0.00 3.19 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 140 K 8.25 3.84 0.00 1.85 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.13 4.33 0.00 2.67 2.67 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 0.00 142 I 7.58 3.40 1.23 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.33 0.10 0.00 0.00 143 A 7.87 3.69 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 0.00 144 A 7.83 3.93 1.39 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 0.00 0.00 145 K 8.03 4.00 0.00 1.96 1.94 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 146 Y 8.32 4.43 0.00 3.16 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 0.00 147 K 8.15 3.94 0.00 1.87 2.04 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.93 4.06 0.00 2.17 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 0.00 2.36 2.60 0.00 149 L 7.90 4.36 0.00 1.82 1.72 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.93 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 0.00 151 Y 7.73 4.72 0.00 2.61 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 0.00 152 Q 8.22 3.76 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 153 G 6.27 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