NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3743 8.1233 123.5852 52.4000 20.9721 179.0274 10 N 4.1409 8.1633 112.9584 56.2866 38.6368 176.0108 11 S 4.2863 8.9126 117.0383 61.6866 63.2776 176.4450 12 T 4.0448 7.6838 118.2446 66.1865 68.3212 177.0377 13 V 3.4190 7.5055 119.7624 65.7078 31.4520 178.1440 14 L 3.8170 8.2173 119.2126 57.7454 41.0460 179.2875 15 S 4.0761 7.8865 112.6014 61.3422 62.0700 175.8940 16 F 4.3647 7.8346 121.4870 61.7625 39.4028 176.6496 17 C 3.8785 8.4166 116.2510 62.5653 27.7102 175.6296 18 A 3.7107 8.2298 122.3573 54.9434 17.8638 178.8020 19 F 4.6543 7.1123 110.8817 56.4575 39.7975 176.1517 20 A 4.1557 7.4580 123.6386 51.6418 18.7558 179.4262 21 V 3.7629 8.2198 114.5375 63.4703 31.9347 176.8249 22 D 4.5698 7.8135 119.9214 51.1858 42.4013 173.2680 23 P 4.2152 0.0000 0.0000 65.2943 31.4682 177.6146 24 A 3.9941 8.0942 118.6091 55.2325 18.2857 179.3801 25 K 3.8743 8.6785 118.0001 59.4891 32.1433 178.7884 26 A 4.1227 8.0097 121.0811 55.4680 18.2460 179.0206 27 Y 4.3798 8.6978 118.3975 60.6339 38.8093 177.9838 28 K 3.7838 8.8586 120.9355 59.6690 32.2999 178.3153 29 D 4.3695 8.8484 119.8483 57.5769 40.8016 177.9704 30 Y 4.1479 8.4711 120.2025 61.0872 38.5230 178.4181 31 L 3.5128 7.7398 117.9562 57.4157 41.9317 178.9735 32 A 4.0977 7.9544 120.6928 55.4445 18.1042 179.8823 33 S 4.1293 7.6585 108.1797 59.3556 62.7238 175.6389 34 G 3.7440 8.0955 110.1707 45.1322 0.0000 174.5402 35 G 2.6626 6.8985 108.2344 44.9973 0.0000 173.1362 36 Q 4.2432 8.3044 121.0954 54.1576 29.9352 174.1570 37 P 4.6473 0.0000 0.0000 62.6132 32.0448 176.1757 38 I 4.0034 8.7639 123.2811 61.7212 37.4393 176.1651 39 T 4.5667 8.9296 116.3693 60.7758 71.2502 172.8793 40 N 4.2451 7.8607 114.4155 55.0418 35.6466 174.4534 41 C 4.6542 7.9554 114.8097 57.9845 30.1510 174.4639 42 V 3.8636 8.8890 119.4115 61.4898 32.1648 175.3247 43 K 4.4937 8.5799 125.4036 55.4661 33.1200 176.4310 44 M 4.1569 8.4567 125.3966 54.6194 32.9139 177.3814 45 L 4.1773 8.1685 125.2873 54.2809 40.7487 176.5628 46 C 4.3264 7.6392 123.0334 57.5946 29.4583 172.6176 47 T 3.3937 7.5555 112.3516 66.3725 67.7086 178.2745 48 H 4.5476 6.5446 121.9564 55.6929 29.3853 174.8899 49 T 4.6529 8.3490 112.5337 61.0807 70.7383 173.5280 50 G 4.6153 8.3142 118.4902 44.0135 0.0000 172.9627 51 T 3.9364 8.9457 109.1463 62.2240 68.7147 174.5240 52 G 4.2231 8.0552 110.1942 46.6891 0.0000 173.8709 53 Q 4.2008 7.3732 117.0881 54.5855 29.5059 175.6955 54 A 3.7913 8.0948 122.3034 54.9479 18.4233 176.9768 55 I 5.0903 7.3600 113.4079 59.5861 40.5662 174.4351 56 T 4.8215 9.0846 116.3758 60.0519 72.3489 174.9701 57 V 4.1705 8.6128 113.5898 62.8402 32.1546 176.5024 58 T 4.7395 7.6097 107.9480 58.9056 71.5396 171.5574 59 P 4.2185 0.0000 0.0000 63.8726 31.7875 176.4778 60 E 4.6175 10.1214 119.9780 56.1015 31.7424 174.8935 61 A 4.4720 7.8574 123.6778 52.6470 19.1643 177.9097 62 N 4.9604 9.0289 124.6770 52.4943 39.0546 174.9845 63 M 4.1673 8.7859 115.3627 58.5333 32.7142 177.3451 64 D 5.1128 9.3162 118.7012 53.9707 42.3010 175.9417 65 Q 5.2499 8.1289 116.0614 54.5221 33.5800 173.9671 66 E 4.6934 9.0725 118.2531 54.8724 33.7124 175.3744 67 S 5.3567 8.2582 118.5037 57.1733 65.5373 173.1733 68 F 5.3661 9.4542 121.8526 55.2282 43.3179 174.3771 69 G 3.7778 9.1628 108.7189 46.3127 0.0000 174.2201 70 G 3.9152 9.0793 112.9272 48.4120 0.0000 175.2133 71 A 3.9286 7.9222 122.3043 54.7640 18.2144 179.2165 72 S 4.0457 7.4341 109.2027 61.0386 62.5007 174.9289 73 C 4.5042 8.1306 117.2460 59.3408 28.4938 171.8715 74 C 4.7956 8.1135 121.6346 54.7559 42.0081 173.4357 75 L 3.4791 8.1723 130.3281 58.5831 41.4489 178.5648 76 Y 3.8721 6.8392 115.4951 61.3354 37.7785 178.9254 77 C 4.3047 8.0870 115.0026 59.4817 40.3263 175.5892 78 R 3.8789 7.6370 119.0353 58.1816 30.0785 177.6125 79 C 4.1486 8.0178 114.2804 58.9844 29.6299 172.8518 80 H 4.0093 7.7552 117.3168 56.1837 25.8982 174.0467 81 I 4.6605 6.9575 110.1112 58.8621 40.9875 175.1705 82 D 4.7541 8.6388 121.3870 55.4616 41.2634 176.1936 83 H 4.0503 8.7152 118.2140 53.8156 30.2638 172.2719 84 P 4.0537 0.0000 0.0000 60.6932 31.7041 181.1287 85 N 3.3676 7.8196 114.1715 53.7557 41.3434 177.5223 *89 F 4.8185 7.8667 128.6178 58.0422 40.5345 174.1598 90 C 3.5253 8.0897 121.7154 60.1299 30.9289 173.0786 91 D 4.8682 8.5354 125.8230 53.0191 39.5245 176.9809 92 L 4.5618 7.5983 120.9699 55.5788 44.2535 176.8125 93 K 3.8158 8.0442 118.8222 58.0855 32.1425 176.7377 94 G 3.7976 8.8238 113.0553 45.5636 0.0000 172.2036 95 K 4.5711 7.9514 119.1078 54.4634 36.4444 174.1134 96 Y 5.1136 9.1288 117.8938 56.5193 41.1265 175.3488 97 V 4.8579 8.7604 124.1788 61.7603 33.7044 174.3112 98 Q 5.2822 9.2262 127.2469 54.4920 30.4720 175.0620 99 I 4.2097 8.8107 125.0730 58.3035 40.7330 173.7487 100 P 4.7489 0.0000 0.0000 62.8890 31.8836 177.4438 101 T 4.0223 8.7694 119.7889 67.1120 68.5241 176.2334 102 T 4.1065 7.8758 109.0557 63.5361 69.1396 174.2451 103 C 4.7021 8.3941 118.3267 58.8548 29.9660 175.2959 104 A 3.9498 7.4735 123.5673 54.3628 18.0234 178.6533 105 N 4.5119 7.9908 112.0426 54.7135 38.3663 174.8464 106 D 4.8302 7.9512 118.1849 50.9782 41.4159 173.3924 107 P 3.8830 0.0000 0.0000 65.6049 31.6900 177.9503 108 V 4.3708 7.2356 117.5307 65.7357 31.2561 178.2948 109 G 4.0169 8.3876 105.6825 46.8293 0.0000 175.2344 110 F 3.7100 8.2294 123.4894 61.4317 39.2291 177.1413 111 T 3.7014 7.4466 107.5650 64.7806 68.3964 175.8574 112 L 4.1295 7.3285 120.8137 57.8976 41.8304 179.5374 113 R 4.0294 7.8391 116.3964 57.7942 30.2257 176.6334 114 N 4.7663 7.3955 115.3996 52.0382 40.7473 173.7802 115 T 4.9505 8.2553 114.0014 62.0852 72.9059 173.3886 116 V 4.3975 8.1952 124.0379 60.9491 33.1376 174.8608 117 C 4.1782 8.9936 129.8003 59.9484 31.7036 174.5253 118 T 3.8192 8.7360 117.8685 64.8600 68.3872 176.3520 119 V 3.7061 7.5660 119.7855 65.7760 31.9004 177.1058 120 C 4.2243 7.8183 116.9782 63.0620 31.9245 174.5731 121 G 3.9461 8.4505 107.5987 45.2988 0.0000 173.0060 122 M 4.7016 7.5326 118.7133 52.6439 34.7558 175.0329 123 W 4.6707 8.4542 119.9703 56.4984 29.4094 175.6914 124 K 4.1130 9.2025 126.0788 59.2460 31.5655 176.7387 125 G 4.0527 10.0983 115.2480 45.6505 0.0000 172.1821 126 Y 4.8371 8.9603 117.1841 56.7134 38.8091 174.5583 127 G 3.6635 8.6024 109.8906 45.8553 0.0000 173.9705 128 C 4.1267 8.2781 120.1180 60.3977 32.2922 173.3277 129 S 4.0978 8.4356 118.9821 59.0842 62.4776 172.1519 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 9 A 8.12 4.37 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 10 N 8.16 4.14 0.00 2.82 2.85 0.00 0.00 7.02 6.68 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 11 S 8.91 4.29 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 12 T 7.68 4.04 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 1.21 0.00 0.00 13 V 7.51 3.42 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 0.59 0.00 0.00 0.65 0.00 0.00 14 L 8.22 3.82 0.00 1.62 1.58 0.84 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.89 4.08 0.00 4.08 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 16 F 7.83 4.36 0.00 3.05 3.28 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 17 C 8.42 3.88 0.00 2.81 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 18 A 8.23 3.71 0.72 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 19 F 7.11 4.65 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.46 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.22 3.76 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.81 4.57 0.00 2.61 2.49 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 23 P 0.00 4.22 0.00 2.23 1.99 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 24 A 8.09 3.99 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 25 K 8.68 3.87 0.00 1.99 1.98 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.49 7.81 26 A 8.01 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.70 4.38 0.00 2.92 3.13 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 28 K 8.86 3.78 0.00 1.90 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 29 D 8.85 4.37 0.00 2.87 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 30 Y 8.47 4.15 0.00 3.21 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 31 L 7.74 3.51 0.00 1.54 1.48 0.35 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.95 4.10 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 33 S 7.66 4.13 0.00 3.81 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 34 G 8.10 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 0.00 0.00 0.00 35 G 6.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.30 4.24 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 37 P 0.00 4.65 0.00 2.14 2.22 0.00 3.77 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 2.04 2.12 0.00 38 I 8.76 4.00 1.77 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.85 0.00 0.00 39 T 8.93 4.57 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 1.31 0.00 0.00 40 N 7.86 4.25 0.00 2.78 3.02 0.00 0.00 6.94 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 41 C 7.96 4.65 0.00 3.05 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 42 V 8.89 3.86 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 0.75 0.00 0.00 1.04 0.00 0.00 43 K 8.58 4.49 0.00 1.53 1.48 0.00 1.66 0.00 0.00 1.44 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.82 1.46 7.81 44 M 8.46 4.16 0.00 1.71 1.84 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 45 L 8.17 4.18 0.00 1.53 1.53 0.88 0.89 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 46 C 7.64 4.33 0.00 2.86 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 47 T 7.56 3.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 48 H 6.54 4.55 0.00 3.18 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.35 4.65 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 1.21 0.00 0.00 50 G 8.31 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 51 T 8.95 3.94 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 1.31 0.00 0.00 52 G 8.06 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 53 Q 7.37 4.20 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 54 A 8.09 3.79 0.26 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 0.00 0.00 55 I 7.36 5.09 1.81 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 1.49 0.52 0.93 0.00 0.00 56 T 9.08 4.82 4.36 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 1.24 0.00 0.00 57 V 8.61 4.17 2.14 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 0.78 0.00 0.00 0.98 0.00 0.00 58 T 7.61 4.74 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 1.25 0.00 0.00 59 P 0.00 4.22 0.00 1.82 1.83 0.00 3.21 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 60 E 10.12 4.62 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 61 A 7.86 4.47 1.26 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 0.00 0.00 62 N 9.03 4.96 0.00 2.82 2.85 0.00 0.00 6.98 7.20 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 63 M 8.79 4.17 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 64 D 9.32 5.11 0.00 2.63 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 65 Q 8.13 5.25 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 66 E 9.07 4.69 0.00 1.99 1.40 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 0.00 2.23 2.48 0.00 67 S 8.26 5.36 0.00 3.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.45 5.37 0.00 2.98 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 69 G 9.16 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.08 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 71 A 7.92 3.93 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 72 S 7.43 4.05 0.00 3.90 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 0.00 73 C 8.13 4.50 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.11 4.80 0.00 2.96 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 75 L 8.17 3.48 0.00 1.30 0.74 0.41 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 6.84 3.87 0.00 2.74 2.76 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 77 C 8.09 4.30 0.00 2.87 3.10 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 0.00 78 R 7.64 3.88 0.00 1.75 1.78 0.00 3.20 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 79 C 8.02 4.15 0.00 2.77 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 80 H 7.76 4.01 0.00 3.26 3.31 0.00 5.63 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 81 I 6.96 4.66 1.84 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 1.38 0.56 0.81 0.00 0.00 82 D 8.64 4.75 0.00 2.74 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 83 H 8.72 4.05 0.00 2.91 2.87 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.05 0.00 2.04 1.72 0.00 2.75 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 85 N 7.82 3.37 0.00 2.79 2.91 0.00 0.00 6.76 7.45 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 *89 F 7.87 4.82 0.00 2.87 2.82 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 90 C 8.09 3.53 0.00 2.50 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 91 D 8.54 4.87 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.60 4.56 0.00 1.68 1.71 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.04 3.82 0.00 1.65 1.83 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 94 G 8.82 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 95 K 7.95 4.57 0.00 1.75 1.87 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.33 7.81 96 Y 9.13 5.11 0.00 2.95 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 97 V 8.76 4.86 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 1.39 0.00 0.00 1.07 0.00 0.00 98 Q 9.23 5.28 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.35 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 99 I 8.81 4.21 1.76 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 1.27 0.88 -0.33 0.00 0.00 100 P 0.00 4.75 0.00 2.06 2.08 0.00 2.22 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.18 0.00 101 T 8.77 4.02 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 0.00 102 T 7.88 4.11 4.30 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 1.25 0.00 0.00 103 C 8.39 4.70 0.00 2.22 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 0.00 104 A 7.47 3.95 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 0.00 105 N 7.99 4.51 0.00 2.85 2.97 0.00 0.00 5.75 8.06 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 0.00 106 D 7.95 4.83 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.88 0.00 1.84 1.33 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 108 V 7.24 4.37 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 0.54 0.00 0.00 0.75 0.00 0.00 109 G 8.39 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.23 3.71 0.00 3.08 2.89 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 0.00 0.00 0.00 0.00 111 T 7.45 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 1.33 0.00 0.00 112 L 7.33 4.13 0.00 1.71 1.79 0.96 0.87 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 0.00 113 R 7.84 4.03 0.00 1.60 1.84 0.00 3.07 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 114 N 7.40 4.77 0.00 1.71 2.63 0.00 0.00 6.80 8.17 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 0.00 115 T 8.26 4.95 4.35 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 1.27 0.00 0.00 116 V 8.20 4.40 1.84 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 0.47 0.00 0.00 -0.18 0.00 0.00 117 C 8.99 4.18 0.00 3.05 2.89 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 0.00 0.00 0.00 0.00 118 T 8.74 3.82 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 0.00 119 V 7.57 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 0.86 0.00 0.00 0.93 0.00 0.00 120 C 7.82 4.22 0.00 3.01 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 0.00 121 G 8.45 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 0.00 122 M 7.53 4.70 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 123 W 8.45 4.67 0.00 3.67 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 0.00 124 K 9.20 4.11 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 125 G 10.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.96 4.84 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 0.00 127 G 8.60 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.28 4.13 0.00 3.09 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 0.00 129 S 8.44 4.10 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.