NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3374 8.2649 123.5826 52.3337 19.8992 175.6062 3 R 4.1689 8.4208 113.7442 57.6829 31.8716 176.5500 4 R 3.8400 9.0352 117.4433 57.8194 29.6141 177.9891 5 R 4.3465 8.6559 121.4837 55.5883 32.0661 177.4651 6 R 3.9096 8.5405 118.7485 57.3351 30.3710 176.1310 7 A 3.6930 7.3635 116.5549 53.5202 15.7796 175.7919 8 E 4.1947 7.7761 120.4322 54.9519 30.8092 176.9817 9 V 3.7138 7.9420 120.0626 62.7535 32.1508 175.3929 10 R 4.2677 8.1462 122.9443 55.0013 29.2305 176.1818 11 Q 4.2784 8.2645 129.0099 54.2098 27.2797 175.2152 12 L 4.1509 7.7332 121.7939 54.9976 41.3650 177.5784 13 Q 4.1086 8.3258 120.5549 54.9864 29.5991 174.3272 14 P 4.4718 0.0000 0.0000 62.4698 31.5370 174.9279 15 D 4.6909 8.4780 117.5285 54.6397 41.6710 176.0849 16 L 5.2124 8.5026 124.7295 54.7952 42.0808 177.1385 17 V 4.4814 7.8016 116.7873 63.9237 38.1535 174.4015 18 Y 4.4547 8.7534 115.6410 56.9495 39.6456 175.6209 19 G 3.8660 7.9300 106.8079 46.4832 0.0000 173.1165 20 D 4.8210 7.8440 116.9695 51.1737 44.7831 175.8193 21 V 3.7532 8.7208 119.9605 64.6464 31.4506 178.1841 22 L 3.9875 8.1591 119.9359 58.3915 41.5728 179.1857 23 V 3.2414 7.1928 115.7102 66.1309 31.6294 177.6692 24 T 3.9909 7.9788 108.7432 64.7261 68.4526 175.6106 25 A 3.9628 7.6779 123.6619 55.1222 17.8826 179.3449 26 F 3.9501 7.9413 118.6816 61.3755 39.3584 176.8861 27 I 3.7209 7.4483 119.2232 64.8279 36.9781 177.5850 28 N 4.2315 7.7141 115.2702 56.7553 38.3042 177.6182 29 K 4.0063 7.3413 116.6979 58.7622 32.1037 179.0558 30 I 4.0759 7.3726 119.9126 62.6949 37.2370 175.4883 31 M 4.0256 7.5096 119.4537 55.9081 30.6945 175.2688 32 R 4.4495 8.4399 125.7993 55.8867 31.8182 176.5846 33 D 4.5140 9.2650 120.5527 55.0404 38.6464 174.1818 34 G 3.9580 7.4745 105.8433 46.6621 0.0000 174.7701 35 K 4.6928 7.2345 120.3644 54.5922 33.7539 178.3402 36 K 3.5594 8.2563 121.0864 60.0513 31.6262 176.7961 37 N 4.4534 8.1437 116.2361 55.9285 38.5537 176.9862 38 L 4.0174 8.7507 122.4160 57.9365 42.1302 178.9508 39 A 4.0093 7.9950 120.0205 55.1576 18.5189 178.9444 40 A 4.1771 8.2020 119.4583 55.6312 17.6610 179.7679 41 R 3.9907 7.8664 115.8527 59.9631 30.2466 178.7223 42 I 4.4609 7.7432 119.0581 64.3185 37.0298 178.2261 43 F 4.4843 8.7110 121.7815 61.4712 39.2726 177.1974 44 Y 3.6962 8.5177 116.6408 60.7501 37.6327 178.0970 45 D 4.3679 9.6430 120.1012 57.4928 40.7897 178.7005 46 A 4.1494 7.4465 118.7551 54.5980 18.5431 179.0591 47 C 4.0853 7.6606 115.9053 62.9647 28.2196 176.2359 48 K 4.1198 7.9105 119.3538 58.7629 31.5307 178.7421 49 I 3.9502 7.5209 118.1569 62.4593 36.8843 177.9482 50 I 3.8414 7.3608 122.3231 64.2217 37.1427 177.6612 51 Q 5.0298 7.3276 116.4077 57.5359 28.6603 177.5496 52 E 4.1961 8.0815 120.0910 58.5143 29.8236 178.2820 53 K 4.1784 7.7464 121.9652 58.4171 32.7740 177.5902 54 T 4.3570 7.5511 112.8850 60.8200 70.3787 174.1704 55 G 3.8646 8.9208 118.0227 47.1752 0.0000 173.3927 56 Q 4.1468 7.5085 119.6295 55.4258 29.5157 176.5744 57 E 4.1957 8.6114 120.4690 55.6969 31.5834 176.4344 58 P 4.3468 0.0000 0.0000 65.0702 31.3801 178.5240 59 L 3.7283 7.8712 119.3955 57.6288 42.0932 178.1492 60 K 4.1907 7.9346 118.3190 58.1827 32.2631 178.3362 61 V 3.6747 7.5717 117.1004 64.8294 31.6934 177.1692 62 F 4.2894 8.0034 120.0778 60.7102 39.5322 177.4739 63 K 3.9071 8.0359 118.1415 59.6441 31.3615 178.6692 64 Q 4.0517 8.3675 118.4804 57.8712 28.8536 177.3133 65 A 4.1388 7.6060 120.7682 54.1475 18.8232 179.2820 66 V 3.7021 7.2317 116.5158 65.4789 31.8565 177.1708 67 E 4.1778 7.6118 115.7745 57.5362 29.4061 176.3973 68 N 4.8509 7.8987 113.5812 53.9139 38.9802 175.2535 69 V 4.2797 7.8903 114.7720 62.2789 33.4351 175.6481 70 K 4.3025 7.9461 120.2887 55.0268 30.6149 173.9057 71 P 4.5386 0.0000 0.0000 62.8445 31.7797 176.8758 72 R 4.2601 8.5863 121.4706 58.6391 30.6501 176.0674 73 M 5.1416 7.5403 114.1707 54.3330 36.0929 173.7738 74 E 4.7684 9.1021 118.4879 55.1965 34.1456 174.7705 75 V 4.6175 8.4561 113.9425 60.5655 32.0741 175.5364 76 R 4.6995 9.0287 126.0946 54.3918 32.1498 176.5364 77 S 5.3115 8.6261 119.7611 58.1921 63.9887 173.6160 78 R 4.5703 8.2145 122.1736 54.7230 33.6170 174.3643 79 R 4.9755 8.2381 123.3995 55.1701 31.2551 177.3501 80 V 4.1124 7.2254 112.9663 60.0587 32.6014 175.0858 81 G 4.1872 8.3134 113.6279 45.5656 0.0000 172.2453 82 G 4.4057 6.8767 106.8392 43.1304 0.0000 171.7496 83 A 4.0935 6.0928 121.0442 51.8822 22.7020 176.2707 84 N 5.0617 8.6111 118.4598 51.7426 39.1667 173.9298 85 Y 4.3834 8.1355 121.0708 57.1290 39.7063 175.4903 86 Q 4.6866 8.1483 122.3802 54.3759 26.9403 175.5287 87 V 3.9483 8.1782 121.4927 62.7831 33.0786 173.7370 88 P 5.3170 0.0000 0.0000 62.7646 32.7855 174.9185 89 M 4.5880 8.9477 117.8848 54.2375 34.9293 173.7207 90 E 4.3631 8.8614 119.7321 57.0088 30.0182 177.7502 91 V 3.9737 8.3308 117.0992 60.4510 33.0098 176.5896 92 S 4.2076 8.4218 116.1260 57.6547 64.1502 173.0181 93 P 4.2465 0.0000 0.0000 66.1210 31.0765 179.0365 94 R 3.9535 7.9334 115.8520 59.3123 30.0002 178.8203 95 R 3.8411 7.8035 118.1733 59.8582 29.9416 177.9738 96 Q 4.0190 8.2565 117.6628 58.8495 28.7131 178.2932 97 Q 3.9488 7.8353 119.1954 59.8052 29.1853 179.3299 98 S 4.0453 8.2328 115.8555 61.8269 62.8846 177.0756 99 L 3.3908 8.0456 121.1504 57.6622 41.3612 178.7096 100 A 4.3438 8.6493 120.7726 55.7000 18.2260 179.2983 101 L 4.0080 8.6462 116.3556 58.3655 41.8466 179.5838 102 R 3.6687 7.8657 118.1841 58.9752 29.8407 178.1805 103 W 5.1659 8.6953 119.8874 59.5742 29.0710 178.3547 104 L 4.0003 8.3160 117.4035 58.1565 41.3752 179.5033 105 V 3.7446 7.6066 117.1564 66.3905 31.6613 178.1404 106 Q 4.0235 8.1038 117.2367 58.8160 28.4292 179.0307 107 A 4.1201 8.4206 122.0501 55.0727 18.2328 179.2928 108 A 4.0475 7.9748 118.3217 55.5969 18.4044 179.2462 109 N 4.5267 7.6794 112.7639 56.1357 38.7715 177.4894 110 Q 4.1475 7.8559 119.0391 57.9895 29.1433 177.2117 111 R 4.0631 7.4444 116.8197 56.2808 30.5972 174.5669 112 P 4.6174 0.0000 0.0000 62.7876 31.7042 176.5782 113 E 4.1747 7.8919 119.2408 56.3557 30.0617 177.2173 114 R 4.0686 8.7922 123.1011 58.9390 30.6081 177.7265 115 R 4.5448 7.7322 116.4227 54.4096 32.5552 176.6873 116 A 3.9943 8.6206 125.5619 55.5813 18.5883 179.8392 117 A 4.1107 8.1218 118.2090 55.4480 18.3054 180.1103 118 V 3.6586 7.7219 111.0129 64.3357 31.5593 179.0274 119 R 3.9792 8.2690 118.3042 59.4960 30.0626 179.1812 120 I 3.9948 7.8790 118.1738 63.4791 36.5817 178.2735 121 A 3.9767 7.9766 122.4558 55.6170 17.9567 179.4653 122 H 4.3146 8.5969 114.6761 58.3130 28.7326 177.7937 123 E 4.0433 8.2692 121.5234 59.1170 29.7302 178.4858 124 L 4.0908 7.9507 118.4285 57.2755 41.5372 179.4555 125 M 4.0777 7.7017 118.2511 58.3776 32.0252 178.2290 126 D 4.4778 7.8161 117.3170 56.3611 40.6593 178.8421 127 A 3.9896 7.6715 120.9953 55.1320 18.7898 179.3582 128 A 4.3079 7.2793 118.0352 54.1806 18.4378 179.0612 129 E 4.0661 8.2348 118.1784 58.1980 29.8749 177.9919 130 G 4.6236 6.4628 118.1798 45.6695 0.0000 172.4709 131 K 4.5199 7.0685 120.8447 54.2143 34.6712 175.6231 132 G 4.1283 8.1034 109.4639 42.9500 0.0000 174.6070 133 G 3.7313 8.9765 108.3838 47.5734 0.0000 175.4079 134 A 4.2278 7.8530 121.1238 54.4994 18.8430 179.7949 135 V 3.5781 7.5518 116.3670 65.8585 31.7418 178.1569 136 K 4.0287 8.0577 118.2020 58.6404 31.4620 178.6953 137 K 3.9811 7.4826 116.2249 57.2782 31.9421 178.2249 138 K 3.4796 7.1218 119.7232 58.0198 33.0670 177.5986 139 E 3.9175 7.9365 118.7911 59.3515 28.7459 178.9933 140 D 4.2163 7.8088 117.9181 57.3263 41.1077 178.4393 141 V 3.7223 7.1703 118.1357 65.5288 31.3772 177.7268 142 E 4.0481 8.1904 118.3045 58.9161 29.1305 179.0616 143 R 3.9062 7.6865 118.4801 59.4169 30.1846 178.5208 144 M 3.9466 7.8835 117.2377 59.2006 31.7681 177.9469 145 A 3.9877 7.6202 119.4321 56.0725 18.8435 179.1619 146 E 4.0332 8.5181 115.3902 58.6347 29.5233 179.6563 147 A 4.0144 8.0302 120.7732 55.2238 18.7536 178.6954 148 N 4.6998 7.7834 112.7832 53.5043 38.4616 177.1223 149 R 3.8770 7.5237 121.8658 58.5215 30.6106 177.5536 150 A 3.8077 7.6760 120.8795 56.1170 18.3188 178.7018 151 Y 4.1272 7.1182 110.2316 58.2006 37.9341 177.4086 152 A 4.1728 7.6494 124.9187 54.6461 18.4674 178.6859 153 H 4.6234 7.2110 111.2335 56.0667 29.0445 175.1359 154 Y 5.3197 7.9001 116.2092 58.3618 39.1577 177.9000 155 R 4.0240 8.8402 121.2576 57.3783 30.5594 177.0231 156 W 4.1454 7.8140 117.6297 56.9139 30.1311 173.9896 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 4.34 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 3 R 8.42 4.17 0.00 1.89 1.99 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 4 R 9.04 3.84 0.00 1.80 1.73 0.00 3.20 0.00 0.00 3.23 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 R 8.66 4.35 0.00 1.92 1.85 0.00 3.19 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 6 R 8.54 3.91 0.00 1.78 1.96 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 7 A 7.36 3.69 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 8 E 7.78 4.19 0.00 1.97 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 2.32 2.30 0.00 9 V 7.94 3.71 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 0.75 0.00 0.00 0.93 0.00 0.00 10 R 8.15 4.27 0.00 1.80 1.85 0.00 3.28 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 11 Q 8.26 4.28 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 12 L 7.73 4.15 0.00 1.80 1.69 0.94 0.62 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 13 Q 8.33 4.11 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 14 P 0.00 4.47 0.00 2.12 2.08 0.00 3.75 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 2.06 2.12 0.00 15 D 8.48 4.69 0.00 2.99 2.79 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 0.00 0.00 0.00 16 L 8.50 5.21 0.00 1.76 1.68 0.96 0.86 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 17 V 7.80 4.48 2.54 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 0.16 0.00 0.00 0.66 0.00 0.00 18 Y 8.75 4.45 0.00 3.07 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 19 G 7.93 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 0.00 0.00 0.00 20 D 7.84 4.82 0.00 2.68 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 8.72 3.75 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 1.00 0.00 0.00 0.96 0.00 0.00 22 L 8.16 3.99 0.00 1.84 1.77 1.02 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 23 V 7.19 3.24 2.18 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 0.92 0.00 0.00 0.70 0.00 0.00 24 T 7.98 3.99 4.27 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 1.33 0.00 0.00 25 A 7.68 3.96 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 26 F 7.94 3.95 0.00 3.37 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 27 I 7.45 3.72 2.04 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 1.72 0.73 0.99 0.00 0.00 28 N 7.71 4.23 0.00 2.87 2.86 0.00 0.00 7.16 6.89 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 29 K 7.34 4.01 0.00 1.36 1.66 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.42 7.81 30 I 7.37 4.08 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.97 0.00 0.00 31 M 7.51 4.03 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 32 R 8.44 4.45 0.00 1.91 1.81 0.00 3.32 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 33 D 9.26 4.51 0.00 2.81 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 34 G 7.47 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 35 K 7.23 4.69 0.00 1.79 1.75 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.55 7.81 36 K 8.26 3.56 0.00 1.85 1.88 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.62 7.81 37 N 8.14 4.45 0.00 2.80 2.87 0.00 0.00 6.81 6.74 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 38 L 8.75 4.02 0.00 1.75 1.82 0.96 0.98 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 39 A 7.99 4.01 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 40 A 8.20 4.18 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 0.00 0.00 0.00 0.00 0.00 41 R 7.87 3.99 0.00 2.17 2.02 0.00 3.14 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.71 0.00 42 I 7.74 4.46 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.00 1.04 0.00 0.00 43 F 8.71 4.48 0.00 3.06 3.12 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 0.00 0.00 0.00 0.00 44 Y 8.52 3.70 0.00 3.23 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 45 D 9.64 4.37 0.00 2.95 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 46 A 7.45 4.15 1.47 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 0.00 0.00 0.00 47 C 7.66 4.09 0.00 3.04 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 48 K 7.91 4.12 0.00 1.73 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 49 I 7.52 3.95 1.97 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 1.69 1.12 0.88 0.00 0.00 50 I 7.36 3.84 2.11 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 1.83 1.54 1.00 0.00 0.00 51 Q 7.33 5.03 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.54 2.27 0.00 52 E 8.08 4.20 0.00 1.93 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 2.55 2.33 0.00 53 K 7.75 4.18 0.00 1.65 1.90 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.59 7.81 54 T 7.55 4.36 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 1.27 0.00 0.00 55 G 8.92 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 56 Q 7.51 4.15 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 57 E 8.61 4.20 0.00 2.26 2.13 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 2.38 2.42 0.00 58 P 0.00 4.35 0.00 2.16 2.10 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 59 L 7.87 3.73 0.00 1.73 1.68 0.78 0.45 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 60 K 7.93 4.19 0.00 1.92 1.79 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.55 7.81 61 V 7.57 3.67 2.12 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 0.87 0.00 0.00 0.99 0.00 0.00 62 F 8.00 4.29 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 63 K 8.04 3.91 0.00 2.07 1.87 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 64 Q 8.37 4.05 0.00 2.23 2.12 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 2.33 2.39 0.00 65 A 7.61 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.23 3.70 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 1.00 0.00 0.00 0.56 0.00 0.00 67 E 7.61 4.18 0.00 2.05 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 2.31 2.32 0.00 68 N 7.90 4.85 0.00 2.85 2.82 0.00 0.00 6.67 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 69 V 7.89 4.28 2.12 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 0.76 0.00 0.00 0.91 0.00 0.00 70 K 7.95 4.30 0.00 1.95 1.76 0.00 2.12 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.46 7.81 71 P 0.00 4.54 0.00 2.34 2.08 0.00 4.02 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.63 0.00 72 R 8.59 4.26 0.00 1.92 2.11 0.00 3.29 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 73 M 7.54 5.14 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 74 E 9.10 4.77 0.00 2.09 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 0.00 2.25 2.36 0.00 75 V 8.46 4.62 2.15 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 0.77 0.00 0.00 0.99 0.00 0.00 76 R 9.03 4.70 0.00 1.86 1.92 0.00 3.24 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 77 S 8.63 5.31 0.00 3.75 3.77 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 78 R 8.21 4.57 0.00 1.74 1.64 0.00 3.01 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 79 R 8.24 4.98 0.00 1.57 1.67 0.00 3.30 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.00 80 V 7.23 4.11 1.80 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 0.01 0.00 0.00 0.36 0.00 0.00 81 G 8.31 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 0.00 0.00 0.00 0.00 82 G 6.88 4.41 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 0.00 83 A 6.09 4.09 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 84 N 8.61 5.06 0.00 2.50 2.70 0.00 0.00 6.99 7.46 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 85 Y 8.14 4.38 0.00 2.82 2.51 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 86 Q 8.15 4.69 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 87 V 8.18 3.95 2.28 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 1.30 0.00 0.00 1.19 0.00 0.00 88 P 0.00 5.32 0.00 2.15 2.20 0.00 3.96 0.00 0.00 3.96 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 89 M 8.95 4.59 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 90 E 8.86 4.36 0.00 1.82 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 2.30 2.41 0.00 91 V 8.33 3.97 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 0.75 0.00 0.00 1.08 0.00 0.00 92 S 8.42 4.21 0.00 3.89 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 93 P 0.00 4.25 0.00 2.19 2.12 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 94 R 7.93 3.95 0.00 1.85 1.97 0.00 3.14 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 95 R 7.80 3.84 0.00 1.91 2.15 0.00 3.10 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 96 Q 8.26 4.02 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.46 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 97 Q 7.84 3.95 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 98 S 8.23 4.05 0.00 3.95 3.82 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 0.00 0.00 0.00 0.00 99 L 8.05 3.39 0.00 1.70 0.43 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.65 4.34 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 0.00 101 L 8.65 4.01 0.00 1.65 1.68 0.96 1.09 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 0.00 102 R 7.87 3.67 0.00 1.73 1.56 0.00 2.67 0.00 0.00 2.91 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 103 W 8.70 5.17 0.00 3.61 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 0.00 104 L 8.32 4.00 0.00 1.92 2.08 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.61 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 0.97 0.00 0.00 0.47 0.00 0.00 106 Q 8.10 4.02 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 107 A 8.42 4.12 1.45 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 0.00 0.00 0.00 108 A 7.97 4.05 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 0.00 109 N 7.68 4.53 0.00 2.95 2.91 0.00 0.00 7.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.86 4.15 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 111 R 7.44 4.06 0.00 1.83 1.92 0.00 3.30 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 112 P 0.00 4.62 0.00 2.05 2.08 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 113 E 7.89 4.17 0.00 2.01 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 2.36 2.36 0.00 114 R 8.79 4.07 0.00 1.82 2.00 0.00 3.21 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 115 R 7.73 4.54 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 116 A 8.62 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.12 4.11 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 0.00 118 V 7.72 3.66 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 0.85 0.00 0.00 1.12 0.00 0.00 119 R 8.27 3.98 0.00 2.01 2.13 0.00 3.35 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 120 I 7.88 3.99 2.04 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.86 1.13 0.00 0.00 121 A 7.98 3.98 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 0.00 122 H 8.60 4.31 0.00 3.34 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.27 4.04 0.00 2.35 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 2.44 0.00 124 L 7.95 4.09 0.00 1.89 1.72 1.01 0.67 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 0.00 125 M 7.70 4.08 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 126 D 7.82 4.48 0.00 2.76 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 0.00 127 A 7.67 3.99 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.28 4.31 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 0.00 129 E 8.23 4.07 0.00 1.98 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 2.31 2.32 0.00 130 G 6.46 4.62 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 0.00 131 K 7.07 4.52 0.00 1.67 1.65 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.36 7.81 132 G 8.10 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 0.00 133 G 8.98 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.85 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.58 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 1.07 0.00 0.00 0.93 0.00 0.00 136 K 8.06 4.03 0.00 1.79 1.76 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 137 K 7.48 3.98 0.00 1.30 1.23 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.52 7.81 138 K 7.12 3.48 0.00 1.41 1.71 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.54 7.81 139 E 7.94 3.92 0.00 1.98 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 2.27 2.41 0.00 140 D 7.81 4.22 0.00 3.02 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 0.00 141 V 7.17 3.72 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 1.07 0.00 0.00 0.94 0.00 0.00 142 E 8.19 4.05 0.00 2.17 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 2.30 2.57 0.00 143 R 7.69 3.91 0.00 2.07 1.94 0.00 3.13 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 144 M 7.88 3.95 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 145 A 7.62 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.52 4.03 0.00 1.93 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 2.32 2.45 0.00 147 A 8.03 4.01 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 0.00 148 N 7.78 4.70 0.00 2.91 3.03 0.00 0.00 6.71 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 0.00 149 R 7.52 3.88 0.00 1.83 1.91 0.00 3.49 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 150 A 7.68 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.12 4.13 0.00 3.09 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 0.00 152 A 7.65 4.17 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 0.00 153 H 7.21 4.62 0.00 3.00 3.27 0.00 5.51 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.90 5.32 0.00 3.23 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 0.00 155 R 8.84 4.02 0.00 1.82 2.02 0.00 3.36 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 156 W 7.81 4.15 0.00 3.75 3.11 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