NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3484 0.0000 0.0000 62.5682 32.5118 175.5312 8 E 4.5000 8.3807 120.9924 52.3303 32.6912 174.4089 9 T 4.2127 8.8103 112.0443 61.3275 71.8476 175.0515 10 L 3.9994 8.3682 121.1743 58.1004 41.6048 179.1922 11 E 3.9769 8.3874 117.6423 59.8737 29.4498 179.1624 12 A 4.0510 8.1898 120.2242 55.3154 18.3675 180.0134 13 R 3.8994 8.0832 116.5249 59.4943 30.1334 179.0900 14 I 3.3173 8.3455 118.8474 64.0154 37.6588 177.7135 15 N 4.3517 8.0491 116.7502 55.9717 38.4513 177.4911 16 R 3.9947 7.9761 119.3801 59.2871 30.1121 178.9332 17 A 4.0707 8.0161 118.8528 53.9725 18.2713 177.9601 18 T 4.1212 7.2625 105.7367 60.5631 69.9241 173.1160 19 N 4.2458 7.7596 121.8124 53.7419 39.1181 173.9057 20 P 4.4590 0.0000 0.0000 65.5806 31.5657 177.3849 21 L 4.2982 8.3406 116.6266 56.0649 41.9387 177.1902 22 N 4.4974 7.8314 117.0489 53.6477 38.8103 175.4003 23 K 4.2158 8.7715 122.1286 58.4107 32.7035 176.2269 24 E 4.8372 7.9051 114.3099 54.4690 32.2659 174.4477 25 L 3.6665 8.6471 118.8065 55.8733 41.9077 178.2930 26 D 4.6654 7.9729 122.6970 52.7438 40.1467 176.5739 27 W 4.2081 8.3266 125.4387 58.8657 29.4264 177.4731 28 A 4.0910 8.2194 120.6015 55.5555 17.8513 179.6965 29 S 4.2196 8.0649 112.9504 61.3286 63.0433 176.9236 30 I 3.6317 7.9675 122.7990 64.6043 36.8475 178.2019 31 N 4.5772 8.8578 117.7502 56.3992 38.4105 177.7984 32 G 3.6222 8.3138 107.1486 47.5056 0.0000 175.5266 33 F 4.0327 8.3095 122.8759 61.4074 39.2443 176.3129 34 C 3.9433 7.9354 114.4044 60.1856 38.5903 175.7002 35 E 3.9858 8.2562 119.9373 59.7003 29.0493 179.3890 36 Q 3.9166 8.0839 119.3753 58.4907 29.2230 177.7457 37 L 3.6970 7.4617 120.4746 57.8328 40.0869 177.9458 38 N 4.6611 7.0464 115.2516 53.1596 39.2230 175.6542 39 E 3.9848 8.2242 120.5746 58.5134 29.9382 175.8791 40 D 5.0824 7.5331 115.7199 50.6781 42.5988 176.0972 41 F 4.1885 8.9212 120.7253 60.9101 39.3757 175.0723 42 E 4.2593 8.1983 119.2188 55.8426 29.9449 177.4256 43 G 3.8727 7.9233 107.3673 47.3114 0.0000 174.2036 44 P 4.3242 0.0000 0.0000 64.5981 31.4124 176.9282 45 P 4.2175 0.0000 0.0000 65.6736 31.0182 178.1929 46 L 3.9036 7.7804 119.6815 57.9100 42.0626 178.6002 47 A 4.2224 8.4324 121.1771 55.7551 18.2376 179.5755 48 T 3.8554 8.0226 111.3220 64.9817 67.2630 176.4516 49 R 3.9866 8.0613 120.8017 59.6372 30.1549 178.5701 50 L 4.0889 8.3193 118.7755 57.8119 41.6300 179.3801 51 L 4.0192 8.7681 119.0827 57.8698 41.3605 179.5017 52 A 4.0478 8.2658 119.7611 55.2953 18.5483 178.9603 53 H 4.2356 8.1023 116.8549 59.4715 30.0663 177.5463 54 K 3.8655 7.9760 120.1810 59.7487 31.6470 179.3735 55 I 3.8748 7.8331 118.8833 63.7041 36.9895 177.3473 56 Q 4.4104 7.3898 117.0416 54.7158 28.9685 175.7093 57 S 4.1625 7.2871 116.3165 57.5668 62.7308 172.7690 58 P 4.3040 0.0000 0.0000 64.4544 31.6429 176.6445 59 Q 4.3724 8.0965 120.0806 54.5200 29.3184 175.5488 60 E 3.9720 8.7846 126.8478 59.2678 29.7567 178.5095 61 W 4.6898 8.2692 127.7365 60.1733 30.8072 177.4797 62 E 3.8480 8.4673 120.1856 58.6194 29.1324 178.4486 63 A 4.0637 7.8134 120.4703 55.3001 18.4524 179.6811 64 I 3.6697 8.2168 118.7034 64.6601 37.1424 178.7549 65 Q 3.5626 7.6153 118.6648 58.6262 28.2960 178.6940 66 A 3.8222 7.7572 121.8454 54.9394 18.3032 179.6191 67 L 4.0252 8.1548 117.7925 58.3462 41.6878 179.8970 68 T 3.9070 7.9428 115.7058 66.4852 68.2277 176.6242 69 V 3.5225 7.8767 120.2772 65.8624 31.5443 177.3999 70 L 4.1207 8.1669 120.0751 58.5717 41.8035 178.6525 71 E 4.3425 8.7005 118.9805 59.8836 29.3747 179.0034 72 T 4.0583 7.9985 114.2677 67.0757 69.0228 175.8929 73 C 4.4408 8.6423 118.6299 60.1501 39.9415 176.0572 74 M 4.0895 8.3044 119.6296 58.2095 31.5788 178.5433 75 K 4.2611 7.8832 117.5467 57.4386 32.4786 177.0806 76 S 4.8684 7.0475 114.6432 56.0861 65.1597 173.7346 77 C 4.1888 8.6324 117.6508 57.2868 30.0433 173.8532 78 G 4.7989 8.3025 123.6297 44.8020 0.0000 172.7508 79 K 3.8701 8.1110 128.1079 59.2282 32.2372 178.5260 80 R 3.8316 7.8734 117.6664 59.2949 30.0491 178.7624 81 F 3.9743 8.0123 119.8593 61.4142 39.5833 176.6160 82 H 3.9191 8.1326 115.8859 59.0357 28.2637 177.5398 83 D 4.3877 8.1448 119.8557 57.1837 40.8251 178.3741 84 E 3.9307 8.1061 119.3483 59.4556 29.2710 179.6913 85 V 3.1590 6.8612 116.7648 65.0536 31.3861 177.1892 86 G 3.7960 7.1693 103.1271 43.7089 0.0000 173.4127 87 K 4.3269 6.9853 120.4404 54.5742 33.9634 177.9717 88 F 4.4137 8.1141 119.9903 60.4783 38.5346 177.7979 89 R 4.0952 8.1789 117.5743 58.7844 29.9938 177.1901 90 F 4.5043 7.9935 118.9673 60.1276 40.2368 177.1861 91 L 3.9577 8.2656 118.9863 58.2805 41.5976 179.3161 92 N 4.2591 8.6736 116.3676 56.4810 38.2098 177.2670 93 E 3.9764 7.7439 119.0488 59.1235 29.5759 179.1231 94 L 4.0611 7.3283 118.6976 57.7209 41.8485 179.1236 95 I 3.7154 7.8640 119.8240 64.4484 36.9863 178.6288 96 K 3.9777 7.8570 118.8250 59.0789 31.7677 179.6255 97 V 3.6970 7.5259 119.3761 65.4539 31.6047 177.7468 98 V 4.0480 7.6340 110.1587 61.6686 32.3835 175.6086 99 S 4.5943 7.7879 116.1018 56.3983 62.9551 173.1649 100 P 4.5481 0.0000 0.0000 64.6843 31.2485 177.1711 101 K 4.1918 7.7403 115.5186 57.2310 34.5727 176.5252 102 Y 4.1468 8.2858 114.5419 58.2874 38.7747 175.9345 103 L 4.5369 6.0093 132.6354 55.3880 43.1449 178.8529 104 G 4.2230 8.5793 109.2184 48.9120 0.0000 176.2244 105 S 4.2836 8.0925 115.2819 60.3822 63.0705 174.9188 106 R 4.6299 7.7635 115.3525 55.8971 29.4714 175.2464 107 T 4.5884 7.2602 113.9827 62.2806 70.4913 175.6353 108 S 4.3206 8.3728 120.6705 58.3276 65.1580 175.2089 109 E 3.9675 8.7254 123.5394 58.9808 29.4687 178.9527 110 K 3.8334 8.1035 119.6242 59.6780 32.2425 178.7156 111 V 3.6257 7.6014 118.1251 65.8437 31.4815 178.1345 112 K 3.9952 8.0029 118.1758 59.6612 31.8831 179.1400 113 N 4.3779 8.6627 117.1553 55.9686 38.3978 177.3785 114 K 4.0519 8.0136 120.9264 59.6359 32.3515 178.7067 115 I 3.6792 7.7815 119.9596 64.6130 37.0466 178.4462 116 L 4.1406 8.0141 119.5700 57.7878 41.4528 179.4143 117 E 3.9994 8.5935 119.0095 59.3529 29.4155 179.4693 118 L 3.3924 7.8091 118.9115 57.3839 41.5715 179.3981 119 L 3.7381 7.4607 118.7908 57.8726 41.2630 178.7695 120 Y 3.1832 7.5896 119.4559 60.6244 38.5981 178.5405 121 S 3.7630 7.5227 114.7146 61.1507 62.8376 176.4401 122 W 4.4073 7.6850 122.6682 59.4496 28.5813 178.5648 123 T 3.8703 7.4427 109.3567 64.3829 68.0191 176.1907 124 V 3.8278 6.9244 119.7029 65.1675 31.9382 177.8201 125 G 3.8604 8.0224 103.7699 45.7595 0.0000 173.8531 126 L 5.4694 8.3014 120.1481 51.4751 41.9977 175.5318 127 P 4.3934 0.0000 0.0000 64.9764 32.2700 178.5851 128 E 4.0768 8.0693 118.6057 58.8312 30.0505 176.2809 129 E 4.7091 7.8085 120.2982 55.1126 28.0513 177.4079 130 V 3.7352 7.7098 116.3218 63.7951 32.0019 177.6195 131 K 4.1307 7.8614 117.5637 58.7250 31.8594 179.1638 132 I 3.8430 7.6964 120.4795 64.1865 36.9157 178.1565 133 A 4.1613 7.9893 121.3492 54.8936 18.3448 179.1084 134 E 3.9463 8.4489 117.7765 59.3677 29.7924 178.7370 135 A 4.1607 8.4201 120.8931 55.6721 18.4910 179.0721 136 Y 4.0370 8.2594 117.9344 60.8557 38.9065 177.7755 137 Q 4.0052 8.6632 120.9344 59.2151 29.0685 177.8979 138 M 4.0290 8.2314 119.3858 58.6793 32.3096 178.2679 139 L 3.9438 7.9553 119.0865 57.4826 41.7964 179.7051 140 K 4.2492 7.6944 119.9045 58.9760 31.7896 179.5680 141 K 4.0172 7.8320 117.3807 59.2486 32.0727 178.6871 142 Q 4.2982 8.0957 115.7802 56.0935 28.9938 176.8731 143 G 3.9525 7.6498 108.2494 45.3699 0.0000 174.8343 144 I 3.6758 7.7292 121.3218 63.8103 37.2377 176.7132 145 V 3.7574 7.2135 123.0802 64.7102 30.5534 175.5303 146 K 4.1260 8.5748 127.2602 56.4262 32.5427 175.8429 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 7 P 0.00 4.35 0.00 2.18 2.12 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 8 E 8.38 4.50 0.00 2.04 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 2.21 2.32 0.00 9 T 8.81 4.21 4.47 0.00 0.00 0.00 0.00 0.00 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 10 L 8.37 4.00 0.00 1.75 1.87 0.54 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.39 3.98 0.00 2.08 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 2.43 2.50 0.00 12 A 8.19 4.05 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 13 R 8.08 3.90 0.00 2.29 2.20 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 14 I 8.35 3.32 1.80 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 1.29 0.98 0.99 0.00 0.00 15 N 8.05 4.35 0.00 2.90 2.84 0.00 0.00 7.07 7.01 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 16 R 7.98 3.99 0.00 2.04 1.94 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 17 A 8.02 4.07 1.14 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 18 T 7.26 4.12 4.15 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 0.98 0.00 0.00 19 N 7.76 4.25 0.00 2.90 2.88 0.00 0.00 7.19 8.62 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 20 P 0.00 4.46 0.00 2.13 2.20 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 21 L 8.34 4.30 0.00 1.81 1.76 0.94 1.17 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 22 N 7.83 4.50 0.00 3.08 3.12 0.00 0.00 6.99 7.62 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 23 K 8.77 4.22 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 24 E 7.91 4.84 0.00 2.12 1.94 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 2.25 2.41 0.00 25 L 8.65 3.67 0.00 1.41 0.77 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.97 4.67 0.00 2.72 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 0.00 0.00 0.00 0.00 27 W 8.33 4.21 0.00 3.48 3.18 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 0.00 28 A 8.22 4.09 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 29 S 8.06 4.22 0.00 3.93 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 30 I 7.97 3.63 2.04 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 0.98 0.00 0.00 31 N 8.86 4.58 0.00 2.93 3.07 0.00 0.00 7.01 7.13 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 32 G 8.31 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.31 4.03 0.00 3.14 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 34 C 7.94 3.94 0.00 3.16 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 35 E 8.26 3.99 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 2.31 2.44 0.00 36 Q 8.08 3.92 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 37 L 7.46 3.70 0.00 1.61 1.16 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.05 4.66 0.00 2.56 2.82 0.00 0.00 6.91 7.54 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 39 E 8.22 3.98 0.00 1.84 2.11 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 2.43 2.27 0.00 40 D 7.53 5.08 0.00 2.93 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 41 F 8.92 4.19 0.00 2.96 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 42 E 8.20 4.26 0.00 2.07 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 2.23 2.22 0.00 43 G 7.92 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 0.00 0.00 0.00 44 P 0.00 4.32 0.00 2.09 2.19 0.00 3.54 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 45 P 0.00 4.22 0.00 2.21 2.23 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.85 0.00 46 L 7.78 3.90 0.00 1.80 1.89 0.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.43 4.22 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 48 T 8.02 3.86 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 1.22 0.00 0.00 49 R 8.06 3.99 0.00 2.20 2.04 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 50 L 8.32 4.09 0.00 2.05 1.78 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.77 4.02 0.00 2.04 1.96 1.20 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.27 4.05 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.10 4.24 0.00 3.19 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.98 3.87 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.54 7.81 55 I 7.83 3.87 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.92 0.00 0.00 56 Q 7.39 4.41 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 57 S 7.29 4.16 0.00 3.88 3.76 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 58 P 0.00 4.30 0.00 2.22 2.17 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 59 Q 8.10 4.37 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 60 E 8.78 3.97 0.00 2.08 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 2.48 2.43 0.00 61 W 8.27 4.69 0.00 3.30 3.04 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 62 E 8.47 3.85 0.00 2.02 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 0.00 2.29 2.25 0.00 63 A 7.81 4.06 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 64 I 8.22 3.67 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.10 1.11 0.00 0.00 65 Q 7.62 3.56 0.00 1.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 66 A 7.76 3.82 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 67 L 8.15 4.03 0.00 1.87 1.79 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.94 3.91 4.21 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 1.02 0.00 0.00 69 V 7.88 3.52 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 0.83 0.00 0.00 0.71 0.00 0.00 70 L 8.17 4.12 0.00 2.08 2.12 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.70 4.34 0.00 2.30 2.32 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 2.49 2.54 0.00 72 T 8.00 4.06 4.56 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 1.47 0.00 0.00 73 C 8.64 4.44 0.00 2.86 2.58 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 0.00 0.00 0.00 0.00 74 M 8.30 4.09 0.00 1.83 2.55 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.80 0.00 75 K 7.88 4.26 0.00 1.95 1.94 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.76 7.81 76 S 7.05 4.87 0.00 3.87 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 77 C 8.63 4.19 0.00 3.08 2.94 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 78 G 8.30 4.80 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 0.00 0.00 0.00 79 K 8.11 3.87 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.41 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.52 7.81 80 R 7.87 3.83 0.00 1.84 1.86 0.00 2.95 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 81 F 8.01 3.97 0.00 2.96 2.88 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 82 H 8.13 3.92 0.00 3.34 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.14 4.39 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.93 0.00 1.58 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 0.00 2.42 2.41 0.00 85 V 6.86 3.16 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 0.19 0.00 0.00 -0.51 0.00 0.00 86 G 7.17 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 0.00 0.00 0.00 87 K 6.99 4.33 0.00 1.88 1.68 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.55 7.81 88 F 8.11 4.41 0.00 3.08 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 89 R 8.18 4.10 0.00 1.85 2.02 0.00 3.24 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 90 F 7.99 4.50 0.00 3.13 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 91 L 8.27 3.96 0.00 2.00 1.91 1.22 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.67 4.26 0.00 2.76 2.78 0.00 0.00 7.05 7.69 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 93 E 7.74 3.98 0.00 1.68 1.95 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 0.00 2.39 2.43 0.00 94 L 7.33 4.06 0.00 1.80 1.69 1.20 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.86 3.72 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.86 0.00 0.00 96 K 7.86 3.98 0.00 1.89 1.81 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.65 1.12 7.81 97 V 7.53 3.70 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 0.96 0.00 0.00 0.97 0.00 0.00 98 V 7.63 4.05 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 0.80 0.00 0.00 0.98 0.00 0.00 99 S 7.79 4.59 0.00 3.98 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 0.00 100 P 0.00 4.55 0.00 2.06 2.09 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 101 K 7.74 4.19 0.00 1.54 1.77 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.11 7.81 102 Y 8.29 4.15 0.00 3.14 2.74 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 0.00 103 L 6.01 4.54 0.00 1.84 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.58 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 0.00 0.00 0.00 0.00 105 S 8.09 4.28 0.00 3.87 3.93 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 0.00 106 R 7.76 4.63 0.00 1.88 1.97 0.00 3.04 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 107 T 7.26 4.59 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 0.00 108 S 8.37 4.32 0.00 4.06 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 8.73 3.97 0.00 2.10 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 2.38 2.43 0.00 110 K 8.10 3.83 0.00 1.88 1.83 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.54 7.81 111 V 7.60 3.63 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 0.99 0.00 0.00 0.97 0.00 0.00 112 K 8.00 4.00 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.67 7.81 113 N 8.66 4.38 0.00 2.80 2.87 0.00 0.00 6.70 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 0.00 114 K 8.01 4.05 0.00 2.03 2.00 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 115 I 7.78 3.68 2.04 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 1.56 0.81 0.94 0.00 0.00 116 L 8.01 4.14 0.00 1.90 1.82 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.59 4.00 0.00 2.12 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 2.33 2.53 0.00 118 L 7.81 3.39 0.00 1.34 0.33 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.46 3.74 0.00 1.96 1.87 1.08 0.86 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 0.00 120 Y 7.59 3.18 0.00 2.68 2.96 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 0.00 121 S 7.52 3.76 0.00 3.99 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 0.00 122 W 7.69 4.41 0.00 3.53 3.04 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 0.00 123 T 7.44 3.87 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 1.08 0.00 0.00 124 V 6.92 3.83 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 0.75 0.00 0.00 0.46 0.00 0.00 125 G 8.02 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 0.00 126 L 8.30 5.47 0.00 1.73 1.44 0.59 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.39 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 128 E 8.07 4.08 0.00 2.05 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 2.37 2.36 0.00 129 E 7.81 4.71 0.00 1.95 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 2.19 2.24 0.00 130 V 7.71 3.74 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 0.87 0.00 0.00 0.92 0.00 0.00 131 K 7.86 4.13 0.00 1.55 0.76 0.00 1.43 0.00 0.00 0.81 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.34 7.81 132 I 7.70 3.84 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 1.16 0.00 0.00 133 A 7.99 4.16 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 0.00 134 E 8.45 3.95 0.00 2.21 2.35 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 2.54 2.45 0.00 135 A 8.42 4.16 1.64 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 0.00 136 Y 8.26 4.04 0.00 3.29 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 0.00 137 Q 8.66 4.01 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 138 M 8.23 4.03 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 139 L 7.96 3.94 0.00 1.68 1.56 0.96 0.79 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 0.00 140 K 7.69 4.25 0.00 1.88 1.77 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 1.04 7.81 141 K 7.83 4.02 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 142 Q 8.10 4.30 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.69 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 143 G 7.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.73 3.68 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.89 0.00 0.00 145 V 7.21 3.76 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 0.85 0.00 0.00 0.58 0.00 0.00 146 K 8.57 4.13 0.00 1.74 2.08 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.28 7.81