NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0747 8.2601 123.5826 51.8611 19.9647 175.4094 *3 A 4.0136 8.2352 120.3990 51.9739 19.3358 177.2791 4 C 4.0265 8.7743 121.3211 57.4791 40.4287 173.8022 5 S 4.6549 8.4076 118.2660 57.7525 63.2740 173.4818 6 F 4.8371 6.9294 114.3849 55.2412 40.1245 171.9122 7 P 4.6825 0.0000 0.0000 60.8069 33.5600 177.3138 8 P 5.1793 0.0000 0.0000 61.8868 30.2279 178.0261 *10 E 4.3053 8.7509 116.6106 55.5147 31.5515 175.1572 11 I 4.7055 7.1762 112.1694 59.0734 37.6848 175.1586 12 P 4.2014 0.0000 0.0000 66.4074 31.5195 177.7438 13 G 3.7971 7.8896 105.3496 46.0471 0.0000 173.7310 14 S 4.3291 8.0591 116.0537 57.6623 62.9285 175.1613 15 K 4.1166 8.5836 125.6035 58.8808 32.1057 178.1244 16 E 4.3861 8.3762 117.8679 56.3269 29.5705 177.3293 17 C 4.0147 7.8807 120.7897 62.7757 31.6367 175.6336 18 L 4.0791 7.9100 119.6001 57.6507 41.4581 179.0344 19 A 4.0466 8.0253 120.2863 55.3867 18.3230 179.4318 20 E 3.9376 8.6888 117.2228 59.3491 29.5515 179.3657 21 A 3.8983 8.0904 120.9866 54.8817 18.1584 179.2860 22 L 4.0217 8.0584 117.9537 58.5339 42.2538 178.8271 23 Q 4.0535 7.6910 117.4295 59.1339 29.1416 177.8230 24 K 4.3333 7.9697 117.8334 57.0229 32.5493 176.4429 25 H 4.7200 7.6897 116.0512 53.2387 30.3217 173.9681 26 Q 4.0527 8.7880 126.8306 59.0619 28.8365 178.2929 27 G 3.8332 8.1348 106.4107 47.7721 0.0000 175.3466 28 F 4.4947 8.0791 122.5780 60.8631 39.4416 177.0414 29 K 3.5660 8.0301 119.3800 59.2048 31.8570 178.7926 30 K 4.1365 8.5622 119.0168 59.7600 32.0979 179.4946 31 K 4.0779 8.1945 118.5584 59.4932 31.9118 179.7666 32 S 4.2379 8.2766 115.6193 61.9754 62.8431 176.3696 33 Y 4.4043 8.6819 119.7175 60.7995 37.5292 177.8893 34 A 3.3277 8.4113 122.3058 55.0406 18.2867 179.4043 35 L 3.7912 7.9070 118.5342 58.2581 42.0716 179.2005 36 I 4.0394 7.8870 119.7163 64.7654 36.8859 177.6789 37 C 4.2657 8.0861 115.6569 60.0851 34.7052 175.7646 38 A 4.0710 8.2325 122.4057 55.2563 17.8942 178.9456 39 Y 3.3168 8.4560 118.3715 60.7132 38.5691 178.4232 40 L 4.0717 7.8917 118.0240 56.5737 41.9884 177.5851 41 N 4.8434 7.4421 115.2022 52.8914 39.6639 175.4411 42 Y 3.7806 7.7612 122.3751 60.9937 38.3736 178.7410 43 K 3.9705 7.8571 116.5163 58.3653 32.2755 177.9341 44 E 4.5578 7.6007 116.8247 56.0087 30.9254 176.1894 45 D 4.4344 7.3232 117.5881 52.1164 42.7908 175.0462 46 A 3.5398 7.8697 126.9834 54.2578 18.6441 178.9120 47 E 4.2210 7.9930 118.1788 59.0527 29.5211 178.7617 48 N 4.2717 8.7546 117.4416 56.7722 38.9710 176.3197 49 Y 3.9958 7.7404 119.8761 60.7912 38.7135 177.5527 50 E 3.9697 8.7275 119.9562 59.7003 29.4723 179.7962 51 R 4.0754 8.1571 117.6569 59.1781 30.0735 178.9582 52 A 3.8857 8.2173 120.6919 54.8727 18.3007 179.5755 53 A 3.7170 8.0551 119.7111 55.2512 18.4062 179.6260 54 E 3.9308 8.2829 117.2532 59.6802 29.4647 179.3352 55 D 4.4823 8.3549 119.0762 57.3911 40.9319 178.6598 56 F 4.1736 8.4852 121.2645 61.4236 38.9108 176.6164 57 D 4.3630 8.6820 118.9569 57.5182 40.4186 178.9099 58 S 4.0361 7.9814 111.8793 61.4889 62.8783 175.8149 59 A 4.1504 8.2031 123.5857 55.1511 18.1457 179.7300 60 V 3.3345 8.0752 117.1815 65.9793 31.0508 178.4398 61 K 3.9620 7.6906 117.5136 59.4109 31.4945 178.5904 62 C 3.8495 7.8452 117.0140 59.9397 39.6912 176.1790 63 T 4.1652 7.5543 111.0071 61.9710 68.7278 170.9761 64 G 3.5192 7.2291 115.4727 44.8587 0.0000 172.7722 *66 K 4.2468 8.2895 125.2189 55.5980 34.1587 176.7233 67 E 4.0260 8.1982 119.8511 55.8460 29.8410 176.2768 68 G 3.8739 8.5504 115.7110 45.1960 0.0000 173.5284 69 V 4.2105 8.0642 121.9085 60.6495 31.9624 172.9834 70 D 4.6472 8.3866 124.0755 52.6231 40.6225 176.2768 71 L 4.2368 8.5650 127.3922 55.7746 42.5255 176.9573 72 H 3.8978 8.3985 115.9587 56.5807 26.7903 176.3427 73 E 4.2969 8.4595 116.6853 58.5206 29.9704 177.5471 74 G 3.9271 8.1013 106.9923 45.2856 0.0000 173.1161 75 N 4.8512 8.2100 119.5394 50.5702 39.4704 172.5901 76 P 4.2172 0.0000 0.0000 65.6078 31.6627 178.9462 77 E 4.1264 8.0734 116.4932 58.3375 29.5467 177.5197 78 L 4.6616 8.0954 117.1962 54.2160 43.1145 178.1702 79 I 3.7014 7.5347 120.3088 64.5192 36.8403 178.0601 80 E 4.0622 8.0358 118.6775 59.3714 29.4160 178.7087 81 E 4.0413 8.2936 118.9733 59.4471 29.7471 179.0050 82 G 3.8131 8.5046 107.3750 47.2373 0.0000 175.5012 83 F 4.2440 8.5183 123.0702 61.1263 39.3051 177.1127 84 E 3.7988 8.5683 118.6029 59.0997 29.1429 179.1748 85 K 3.8705 8.2394 119.7344 59.4340 32.2599 178.3987 86 F 4.1673 8.1987 120.7712 61.4848 39.2686 177.0968 87 L 3.3431 7.7525 118.2258 57.3823 41.4139 179.4647 88 A 3.8830 8.0676 120.8829 55.3800 18.1668 179.9208 89 S 4.2467 8.1407 112.6888 61.2443 62.9982 176.0450 90 L 4.3210 7.5211 118.6765 53.4650 42.0961 176.4559 91 K 3.7830 7.5442 117.2301 57.3025 30.0682 175.7752 92 I 3.8519 7.3899 118.5304 60.4878 38.1147 176.0247 93 D 4.3643 8.4400 123.8473 54.2612 40.7005 176.9516 94 R 4.0701 8.4169 126.1116 57.9338 30.3221 177.6776 95 K 4.2312 8.3009 116.1915 56.7900 32.6034 176.9770 96 A 4.6984 7.8388 121.7650 51.7673 19.6249 178.4312 97 L 4.0837 8.0483 120.7732 58.4747 41.6295 179.4658 98 G 3.6918 8.0989 105.2847 47.9961 0.0000 175.3607 99 S 4.1090 7.9989 115.4772 61.0184 62.2225 176.0790 100 L 3.6251 7.6257 120.4462 57.6291 41.5039 178.2777 101 C 4.4456 8.2685 118.7703 59.9679 41.8643 175.8093 102 T 3.7601 8.0543 111.0650 64.5157 68.1491 175.7187 103 L 4.1039 7.8163 120.3416 56.0144 41.7176 178.4673 104 F 4.3152 8.4709 121.9169 61.4414 39.0692 176.5028 105 Q 3.8964 7.5860 117.9283 59.2535 28.8744 178.1842 106 K 4.0848 7.8542 119.0107 59.3398 32.4590 178.2962 107 L 4.2052 7.9864 118.2175 55.8716 43.0239 176.4890 108 Y 4.1955 7.4647 118.6108 55.2519 38.3591 174.9088 109 A 4.0875 7.4299 124.1876 52.0235 19.7089 177.2783 110 I 4.5839 7.8381 114.1991 57.9526 40.4839 173.6560 111 P 4.4486 0.0000 0.0000 63.0203 31.9289 174.2185 112 H 4.8343 7.8619 113.2732 54.4104 31.6661 172.8916 113 N 4.5125 8.6244 116.6696 53.7233 38.8564 174.0756 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 1 A 8.26 4.07 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 A 8.24 4.01 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 4 C 8.77 4.03 0.00 2.76 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 5 S 8.41 4.65 0.00 4.07 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 6 F 6.93 4.84 0.00 2.54 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 7 P 0.00 4.68 0.00 2.21 2.09 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 8 P 0.00 5.18 0.00 2.18 1.61 0.00 3.37 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 *10 E 8.75 4.31 0.00 2.01 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 2.23 2.26 0.00 11 I 7.18 4.71 1.87 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 1.47 0.87 0.91 0.00 0.00 12 P 0.00 4.20 0.00 2.19 2.31 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 13 G 7.89 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 14 S 8.06 4.33 0.00 3.87 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 15 K 8.58 4.12 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 16 E 8.38 4.39 0.00 1.96 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 2.28 2.44 0.00 17 C 7.88 4.01 0.00 3.25 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 18 L 7.91 4.08 0.00 1.97 1.90 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.03 4.05 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 20 E 8.69 3.94 0.00 2.18 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 2.40 2.46 0.00 21 A 8.09 3.90 1.22 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 22 L 8.06 4.02 0.00 1.95 2.02 0.72 0.69 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 23 Q 7.69 4.05 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 24 K 7.97 4.33 0.00 1.43 1.56 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.52 7.81 25 H 7.69 4.72 0.00 2.68 2.44 0.00 5.62 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.79 4.05 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 27 G 8.13 3.83 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 0.00 0.00 0.00 28 F 8.08 4.49 0.00 2.66 2.95 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 29 K 8.03 3.57 0.00 1.90 1.74 0.00 1.48 0.00 0.00 1.28 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.45 0.64 7.81 30 K 8.56 4.14 0.00 2.10 2.12 0.00 1.97 0.00 0.00 1.87 0.00 0.00 3.31 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.59 1.67 7.81 31 K 8.19 4.08 0.00 1.95 2.04 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.82 1.78 7.81 32 S 8.28 4.24 0.00 3.95 4.09 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 33 Y 8.68 4.40 0.00 3.19 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 34 A 8.41 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.91 3.79 0.00 1.68 1.58 0.46 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.89 4.04 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.90 1.08 0.00 0.00 37 C 8.09 4.27 0.00 3.00 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 38 A 8.23 4.07 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 39 Y 8.46 3.32 0.00 2.55 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 40 L 7.89 4.07 0.00 1.83 1.72 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.44 4.84 0.00 2.63 2.70 0.00 0.00 6.43 8.83 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 42 Y 7.76 3.78 0.00 2.37 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 43 K 7.86 3.97 0.00 1.68 1.79 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 7.60 4.56 0.00 1.87 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 2.19 2.21 0.00 45 D 7.32 4.43 0.00 2.58 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 46 A 7.87 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.99 4.22 0.00 1.99 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 2.18 0.00 48 N 8.75 4.27 0.00 2.91 2.95 0.00 0.00 6.87 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.74 4.00 0.00 3.25 3.31 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 50 E 8.73 3.97 0.00 2.20 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 2.55 2.67 0.00 51 R 8.16 4.08 0.00 1.96 1.94 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 52 A 8.22 3.89 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 53 A 8.06 3.72 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.28 3.93 0.00 2.16 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 2.33 2.56 0.00 55 D 8.35 4.48 0.00 2.88 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 56 F 8.49 4.17 0.00 3.06 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 57 D 8.68 4.36 0.00 2.90 2.73 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 58 S 7.98 4.04 0.00 3.95 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 59 A 8.20 4.15 1.63 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 0.00 0.00 60 V 8.08 3.33 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 0.99 0.00 0.00 0.31 0.00 0.00 61 K 7.69 3.96 0.00 1.97 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.64 7.81 62 C 7.85 3.85 0.00 2.67 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 0.00 0.00 0.00 63 T 7.55 4.17 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 64 G 7.23 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 *66 K 8.29 4.25 0.00 1.85 1.93 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.54 7.81 67 E 8.20 4.03 0.00 1.95 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 2.34 2.34 0.00 68 G 8.55 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 69 V 8.06 4.21 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.14 0.00 0.00 70 D 8.39 4.65 0.00 2.66 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 0.00 0.00 0.00 0.00 71 L 8.57 4.24 0.00 2.01 1.79 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.40 3.90 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.46 4.30 0.00 2.16 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 0.00 2.32 2.23 0.00 74 G 8.10 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 0.00 0.00 0.00 75 N 8.21 4.85 0.00 2.75 2.87 0.00 0.00 7.16 7.27 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 76 P 0.00 4.22 0.00 2.25 2.18 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 77 E 8.07 4.13 0.00 2.08 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 2.28 0.00 78 L 8.10 4.66 0.00 1.63 1.54 0.69 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.53 3.70 1.53 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 1.55 0.28 0.25 0.00 0.00 80 E 8.04 4.06 0.00 2.08 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 2.42 2.41 0.00 81 E 8.29 4.04 0.00 2.01 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 0.00 2.40 2.34 0.00 82 G 8.50 3.81 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 0.00 0.00 0.00 83 F 8.52 4.24 0.00 3.09 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 84 E 8.57 3.80 0.00 2.21 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 2.43 0.00 85 K 8.24 3.87 0.00 1.94 2.12 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.50 7.81 86 F 8.20 4.17 0.00 2.96 2.92 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 87 L 7.75 3.34 0.00 1.61 1.42 0.63 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.07 3.88 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 89 S 8.14 4.25 0.00 3.91 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 90 L 7.52 4.32 0.00 1.29 1.48 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.54 3.78 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 92 I 7.39 3.85 1.59 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.34 0.77 0.00 0.00 93 D 8.44 4.36 0.00 2.64 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 0.00 0.00 0.00 0.00 94 R 8.42 4.07 0.00 1.80 1.93 0.00 3.20 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 95 K 8.30 4.23 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.36 7.81 96 A 7.84 4.70 1.22 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 97 L 8.05 4.08 0.00 1.75 1.82 1.04 0.82 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 98 G 8.10 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 0.00 0.00 0.00 99 S 8.00 4.11 0.00 3.89 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 0.00 100 L 7.63 3.63 0.00 1.41 0.47 0.72 0.51 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 0.00 101 C 8.27 4.45 0.00 3.02 3.25 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 0.00 102 T 8.05 3.76 4.28 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 1.30 0.00 0.00 103 L 7.82 4.10 0.00 2.11 1.97 1.01 0.77 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 0.00 104 F 8.47 4.32 0.00 3.33 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 0.00 105 Q 7.59 3.90 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 106 K 7.85 4.08 0.00 1.81 2.03 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.53 7.81 107 L 7.99 4.21 0.00 1.74 1.69 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.46 4.20 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.43 4.09 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 0.00 110 I 7.84 4.58 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 1.00 0.00 0.00 111 P 0.00 4.45 0.00 2.15 2.07 0.00 3.71 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 1.96 1.93 0.00 112 H 7.86 4.83 0.00 3.05 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.62 4.51 0.00 2.66 2.71 0.00 0.00 6.77 7.56 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 * Residues marked with a * may have inaccurate shift predictions.