NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1797 8.0385 122.4826 55.0719 44.3570 178.4335 3 A 3.7514 8.0435 120.2190 54.4303 18.0351 177.8853 4 K 3.9138 8.7342 119.0195 59.7708 32.8013 177.7649 5 V 3.6719 7.6944 112.2422 64.1702 31.4603 178.4139 6 L 3.9826 8.0078 119.0078 57.4090 41.4348 179.3859 7 K 3.9121 8.0503 119.5897 59.5341 32.0116 178.7359 8 K 3.9710 8.0153 118.4244 59.0386 32.1149 177.8558 9 R 4.4943 7.9075 115.4473 54.5715 30.8325 176.2460 10 G 3.9788 7.8751 106.4657 46.7027 0.0000 174.7260 11 A 4.1861 8.3858 121.2785 52.9963 20.1560 178.3553 12 V 4.3792 7.6769 115.5085 61.4031 32.5234 175.0285 13 L 5.1402 9.0924 128.4534 53.2588 44.7859 175.9137 14 R 5.9233 9.0137 119.4812 53.6157 33.0179 177.3871 15 G 3.4197 7.3635 106.1018 46.0946 0.0000 170.9219 16 D 4.8413 7.3937 120.3983 52.3634 42.2081 176.2786 17 F 5.0028 8.9063 124.2163 55.4506 42.3845 175.2466 18 V 4.5461 8.3118 121.5501 60.9726 32.4327 175.4057 19 L 4.3326 8.7268 128.7625 54.2361 42.1333 178.9891 20 S 4.1914 8.5681 115.0560 60.8845 62.9507 175.6869 21 S 4.2301 7.9395 114.7818 59.1989 63.2851 174.6911 22 G 4.1038 8.2401 109.4893 45.3457 0.0000 174.2667 23 R 4.3599 7.5652 114.9478 55.4262 30.7395 175.8293 24 R 4.9831 8.2334 118.4866 56.0622 31.4842 175.6893 25 S 4.8563 9.3005 116.1080 56.9658 66.6273 174.1146 26 S 5.6290 8.8880 117.8219 57.5965 64.2592 173.1467 27 V 5.3114 8.1593 119.7993 61.7045 34.4101 174.1068 28 Y 4.5204 8.9407 127.3254 55.6371 42.2595 173.3796 29 I 4.5049 7.3048 126.1083 59.2361 39.6554 174.0040 30 D 4.5944 8.8982 129.1252 52.7098 43.8895 176.9435 *32 R 4.4155 8.4111 119.6258 56.3655 32.3185 178.3838 33 R 4.0993 7.7701 116.5462 58.6670 30.2473 178.8179 34 L 4.3278 8.0922 117.7800 57.3575 41.9794 179.1011 35 L 3.9533 7.9831 118.1920 57.2933 41.5543 177.8985 36 G 3.9851 7.6304 105.3317 45.2688 0.0000 173.7296 37 D 4.4177 8.1089 120.1316 51.6497 43.9972 174.9566 38 E 2.5400 8.7748 128.5350 59.3332 29.2767 178.8404 39 S 4.0338 7.7735 114.3309 61.3958 62.9767 176.7905 40 S 4.1007 7.7822 118.0072 61.6530 62.8104 176.2811 41 Y 4.6555 8.0601 120.5223 59.8700 37.7553 178.1694 42 S 4.3733 7.8570 116.7230 61.3142 63.0912 176.6822 43 V 3.5717 7.4931 121.3505 65.6840 31.2810 177.8992 44 A 3.9462 8.0659 120.2336 55.1094 18.2401 179.5717 45 L 4.0906 8.6654 117.9460 58.1917 41.7535 179.4944 46 D 4.4209 8.3442 118.7892 57.4551 40.8441 178.9395 47 L 4.0317 8.0109 119.5000 57.6228 41.5539 179.5370 48 L 3.9593 8.0897 119.1349 57.8203 41.4874 179.5745 49 L 4.1019 8.0745 118.8352 57.4139 41.2692 179.1696 50 E 3.9322 8.0058 119.2967 58.6001 29.7435 178.3182 51 V 4.2245 7.6386 116.5568 62.1143 32.4925 176.5578 52 G 4.1072 8.3455 106.3238 43.9568 0.0000 174.6081 53 G 3.7951 8.3623 107.9353 48.1441 0.0000 175.2599 54 Q 4.0133 8.0598 119.3385 59.4941 28.4803 178.3115 55 D 4.3978 8.5839 122.8831 55.9062 41.0958 178.5075 56 L 4.0926 7.8897 121.2325 58.0758 41.9345 178.7958 57 A 4.0893 8.2758 119.8729 54.5108 18.3974 178.8263 58 R 4.3173 7.5135 114.5317 55.7030 30.7751 176.9651 59 S 4.6222 6.9747 114.0622 57.7857 64.0282 174.4062 60 S 4.5104 9.0660 116.1968 60.6554 63.6263 173.8217 61 A 4.6090 7.6776 119.6838 51.2015 22.5491 174.8842 62 V 4.4945 8.4013 119.8907 61.3972 33.8667 174.6854 63 I 4.9219 8.8664 129.0048 59.6084 39.6650 175.1976 64 G 4.2634 9.0496 114.6323 44.8520 0.0000 172.9144 65 V 4.3796 8.0163 121.6975 60.9260 32.5681 174.6279 66 A 4.0287 8.5428 131.2561 53.2747 18.4494 176.6566 67 T 4.2708 8.5528 116.1640 65.7762 72.1174 176.7699 68 G 3.9404 8.0715 108.5802 48.8795 0.0000 174.7825 69 G 4.0953 8.2349 105.1989 44.0783 0.0000 175.1729 70 L 3.8570 7.5954 123.7147 57.6095 41.9180 177.1633 71 P 3.9823 0.0000 0.0000 65.1893 31.2839 178.3253 72 W 4.2518 7.6421 116.1078 59.6683 29.2803 177.9416 73 A 4.2409 8.1721 120.5530 54.9445 17.7806 179.9219 74 A 4.2200 7.9718 115.8060 53.1173 18.1286 179.1817 *76 L 4.2080 7.9040 122.1948 56.2263 43.9617 179.2722 77 A 3.9905 8.3060 121.4850 55.1835 18.9348 179.4052 78 L 3.9689 8.1514 117.7519 58.2895 42.3337 179.3746 79 R 3.9672 8.0895 115.9972 58.7518 30.0472 177.2630 80 L 4.4556 7.9319 114.7586 53.7250 42.1424 176.2618 81 S 3.7496 7.5546 113.4154 59.8592 60.8778 172.0642 82 K 4.7695 8.0017 117.4602 53.7700 34.9920 175.5768 83 P 4.5115 0.0000 0.0000 62.7245 32.6165 175.0422 84 L 5.2535 8.4558 123.4958 53.6326 45.0058 175.3205 85 G 4.3945 8.7555 110.7303 45.6614 0.0000 170.6922 86 Y 5.3107 8.2414 116.0875 56.0322 41.7443 173.5250 87 V 4.6425 8.4197 120.0822 61.7921 34.2857 176.1253 88 R 4.0662 8.7940 126.0109 58.2911 30.9738 176.9440 *98 S 4.2964 7.6029 111.3141 58.3674 63.9353 172.7327 99 Q 4.4986 8.1170 118.4916 54.4667 31.7233 175.0954 100 V 3.9472 7.9935 118.2456 60.9335 31.4407 174.9546 101 E 3.9286 8.1742 128.2092 57.8237 29.6933 177.7140 102 G 3.8460 8.7794 110.4779 44.3039 0.0000 172.8954 103 D 4.3644 7.6157 117.9512 54.5075 39.9169 171.1909 104 P 4.5712 0.0000 0.0000 61.4852 32.6170 174.6689 105 P 4.3555 0.0000 0.0000 62.5657 31.5927 176.5307 106 K 3.6326 8.6126 121.2536 55.7134 32.9701 177.7927 107 G 3.8322 7.8856 107.6616 45.7833 0.0000 170.0441 108 R 5.0895 7.9005 120.3736 55.2643 31.2327 177.1472 109 V 4.9075 8.8191 119.2353 59.5148 35.6897 174.8914 110 V 4.5225 8.1073 121.2102 61.2237 34.2443 174.4181 111 V 4.6158 8.1498 127.9629 61.9119 33.1990 174.6344 112 V 4.9839 9.0553 127.3441 61.2707 34.6294 173.7227 113 D 4.9118 8.8470 126.0980 52.8317 45.2639 175.7635 114 D 4.1112 8.8261 120.7831 55.6619 40.6353 176.2574 115 V 4.8130 7.5784 117.3588 60.1708 34.7264 173.8191 116 A 4.2499 8.9115 129.6035 51.8073 20.3415 175.0220 117 T 4.4554 8.8432 119.1740 64.3588 70.2587 176.1552 118 T 4.1842 8.4443 117.9063 62.8712 70.5524 177.3194 119 G 4.0496 8.2715 109.9617 45.6749 0.0000 174.9997 120 T 3.8511 7.9258 117.3268 66.8574 68.3016 176.4275 121 S 4.1299 8.0479 116.3537 61.7168 62.8446 176.8040 122 I 3.7206 7.7068 121.7155 64.2422 36.9787 178.0414 123 A 3.9804 8.4024 122.1218 55.1627 18.2097 179.6375 124 K 4.1702 8.2737 119.6276 59.2464 32.2148 179.3170 125 S 4.1626 7.9550 115.4182 61.5691 62.7026 176.7181 126 I 3.7253 7.9208 122.7072 64.2436 36.3510 178.2482 127 E 3.9675 8.3258 119.5284 59.5179 29.2976 179.6755 128 V 3.6730 7.7676 118.0972 65.8046 31.5720 177.9990 129 L 4.0391 8.0970 118.8388 58.1042 41.5309 179.8415 130 R 4.5097 8.1174 119.2320 58.9294 29.7644 179.3414 131 S 4.2858 8.1574 114.0356 60.7553 62.7376 175.3545 132 N 4.8894 7.7962 117.2521 52.7895 38.8498 176.1241 133 G 3.8431 8.0721 109.8042 45.2579 0.0000 173.9383 134 Y 4.6943 7.8522 117.8439 57.6610 39.6888 174.5291 135 T 5.0472 8.6986 111.2960 60.1945 72.1896 173.4849 136 V 4.7740 8.2465 121.9232 60.7388 34.1807 174.1755 137 G 4.2379 9.0037 109.0078 45.9157 0.0000 171.8539 138 T 5.3673 7.7981 116.3335 61.7367 73.4214 172.5247 139 A 4.9313 8.8769 126.4921 49.9652 22.5344 174.5837 140 L 5.1829 9.1744 123.9239 53.3913 45.2985 175.7605 141 V 5.4259 8.4304 117.6210 58.8541 36.4639 176.5780 142 L 3.8459 8.2625 121.4303 57.2584 42.7299 177.4874 143 V 4.7817 7.7430 118.0294 60.9831 35.2194 173.4402 144 D 5.1915 8.6270 127.3493 52.7615 42.6827 176.7081 145 R 4.0283 8.9837 124.9167 55.6709 30.8473 176.6668 146 G 3.8089 8.1619 107.0884 47.2900 0.0000 174.0499 147 E 4.5467 8.2642 114.9347 56.1735 30.3410 177.4842 148 G 4.0523 8.5002 107.3954 44.7776 0.0000 176.3500 149 A 4.3764 7.5138 122.5500 54.6813 18.3595 179.7779 150 G 3.6012 8.0816 103.6037 48.1171 0.0000 175.5702 151 E 3.9892 8.0511 120.4508 58.9467 29.3811 178.9903 152 L 3.9711 7.8234 119.3127 58.2385 42.4486 178.7700 153 L 4.1242 8.2450 118.9540 57.6596 41.3193 179.2953 154 A 4.2036 7.9331 119.9918 54.8224 18.3361 180.4344 155 R 4.0981 7.6821 115.8538 56.2982 30.3175 176.9252 *157 G 3.8096 8.0027 103.2821 44.7814 0.0000 173.3194 158 V 4.5332 8.0795 119.6823 60.6023 34.3537 174.5775 159 R 4.3494 9.0397 129.3829 55.1055 31.2304 174.7942 160 L 4.7326 8.5075 129.4772 54.6679 43.1097 175.7582 161 V 4.5956 9.0943 126.8136 61.0437 34.1395 174.3633 162 S 5.5160 8.3595 120.7613 55.3723 65.5622 174.2292 163 V 3.8021 8.4900 121.3243 66.0660 32.0917 175.5766 164 A 4.6694 7.9697 119.4226 51.2733 23.1019 175.7579 165 T 4.8334 8.1325 109.0751 59.7461 71.3225 175.7185 166 L 3.8330 8.2737 124.6354 57.9682 41.9562 179.2777 167 K 3.8272 7.9825 119.2311 59.9821 32.1108 178.6900 168 T 3.8597 7.7456 115.5280 66.5156 68.3310 176.6913 169 I 3.5885 7.6100 121.6540 64.5225 37.1217 178.4632 170 L 3.8109 8.2055 119.9944 57.7346 41.5108 179.6373 171 E 3.9930 8.2114 118.5225 59.4993 29.2551 179.6124 172 K 4.0807 8.0062 117.1614 59.0429 32.1817 178.7137 173 L 4.4054 7.9543 117.2396 55.0046 41.8294 177.8498 174 G 4.0182 7.8491 106.8002 45.3614 0.0000 173.7727 175 W 4.2919 8.5739 124.9880 56.7841 29.0634 176.1678 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 L 8.04 4.18 0.00 1.67 1.65 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.04 3.75 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 4 K 8.73 3.91 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 5 V 7.69 3.67 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 0.80 0.00 0.00 0.94 0.00 0.00 6 L 8.01 3.98 0.00 1.78 1.62 0.78 0.49 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 7 K 8.05 3.91 0.00 1.94 2.04 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.52 7.81 8 K 8.02 3.97 0.00 1.80 1.99 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 9 R 7.91 4.49 0.00 1.93 1.97 0.00 3.56 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 10 G 7.88 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 0.00 0.00 0.00 11 A 8.39 4.19 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 12 V 7.68 4.38 1.74 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 -0.17 0.00 0.00 0.61 0.00 0.00 13 L 9.09 5.14 0.00 1.81 1.80 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.01 5.92 0.00 1.79 1.93 0.00 3.26 0.00 0.00 3.71 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 15 G 7.36 3.42 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 0.00 16 D 7.39 4.84 0.00 2.47 2.37 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 17 F 8.91 5.00 0.00 3.12 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 18 V 8.31 4.55 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 0.84 0.00 0.00 0.96 0.00 0.00 19 L 8.73 4.33 0.00 1.87 1.62 0.97 0.60 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 20 S 8.57 4.19 0.00 3.99 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 21 S 7.94 4.23 0.00 4.02 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 22 G 8.24 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 0.00 0.00 0.00 0.00 23 R 7.57 4.36 0.00 2.08 2.08 0.00 2.79 0.00 0.00 3.69 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 24 R 8.23 4.98 0.00 1.75 1.92 0.00 3.18 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 25 S 9.30 4.86 0.00 3.93 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 26 S 8.89 5.63 0.00 4.02 4.12 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 27 V 8.16 5.31 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 0.65 0.00 0.00 1.25 0.00 0.00 28 Y 8.94 4.52 0.00 1.43 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 0.00 0.00 0.00 0.00 29 I 7.30 4.50 1.57 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 1.00 0.65 0.56 0.00 0.00 30 D 8.90 4.59 0.00 2.75 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 *32 R 8.41 4.42 0.00 2.15 2.04 0.00 3.21 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 33 R 7.77 4.10 0.00 1.86 2.03 0.00 3.18 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 34 L 8.09 4.33 0.00 2.18 2.06 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.98 3.95 0.00 1.64 1.48 0.60 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.63 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 37 D 8.11 4.42 0.00 2.74 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 38 E 8.77 2.54 0.00 1.84 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 2.02 2.25 0.00 39 S 7.77 4.03 0.00 4.02 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 40 S 7.78 4.10 0.00 4.14 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 41 Y 8.06 4.66 0.00 3.16 3.45 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 42 S 7.86 4.37 0.00 4.10 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 0.00 43 V 7.49 3.57 2.27 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 1.00 0.00 0.00 0.97 0.00 0.00 44 A 8.07 3.95 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 45 L 8.67 4.09 0.00 2.06 1.86 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.34 4.42 0.00 2.85 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 47 L 8.01 4.03 0.00 1.81 1.66 0.88 0.66 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 48 L 8.09 3.96 0.00 1.88 1.70 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.07 4.10 0.00 1.90 1.73 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.01 3.93 0.00 1.97 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 0.00 2.31 2.30 0.00 51 V 7.64 4.22 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 0.87 0.00 0.00 0.90 0.00 0.00 52 G 8.35 4.11 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 0.00 0.00 0.00 53 G 8.36 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 54 Q 8.06 4.01 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.55 3.75 0.00 4.04 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 82 K 8.00 4.77 0.00 1.60 1.71 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.54 7.81 83 P 0.00 4.51 0.00 2.10 1.99 0.00 3.70 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 2.23 2.10 0.00 84 L 8.46 5.25 0.00 1.61 1.53 1.04 0.99 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 85 G 8.76 4.39 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 0.00 86 Y 8.24 5.31 0.00 3.19 2.97 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 87 V 8.42 4.64 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 0.98 0.00 0.00 0.89 0.00 0.00 88 R 8.79 4.07 0.00 1.88 2.01 0.00 3.40 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 *98 S 7.60 4.30 0.00 3.89 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 99 Q 8.12 4.50 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.94 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 100 V 7.99 3.95 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 0.91 0.00 0.00 101 E 8.17 3.93 0.00 1.16 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 0.00 0.00 0.00 1.97 1.84 0.00 102 G 8.78 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 0.00 103 D 7.62 4.36 0.00 2.77 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 0.00 104 P 0.00 4.57 0.00 2.29 2.06 0.00 3.86 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 1.96 1.83 0.00 105 P 0.00 4.36 0.00 2.23 2.13 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 106 K 8.61 3.63 0.00 1.62 1.54 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.13 7.81 107 G 7.89 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 0.00 108 R 7.90 5.09 0.00 1.94 1.84 0.00 3.17 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 109 V 8.82 4.91 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 0.74 0.00 0.00 0.91 0.00 0.00 110 V 8.11 4.52 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 1.02 0.00 0.00 0.93 0.00 0.00 111 V 8.15 4.62 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 0.70 0.00 0.00 0.91 0.00 0.00 112 V 9.06 4.98 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 0.93 0.00 0.00 0.94 0.00 0.00 113 D 8.85 4.91 0.00 2.79 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 0.00 0.00 0.00 0.00 114 D 8.83 4.11 0.00 2.66 2.98 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.57 0.57 0.90 0.00 0.00 123 A 8.40 3.98 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 0.00 124 K 8.27 4.17 0.00 1.96 1.96 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.39 7.81 125 S 7.95 4.16 0.00 4.02 3.89 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 0.00 126 I 7.92 3.73 2.05 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 1.52 0.84 0.92 0.00 0.00 127 E 8.33 3.97 0.00 2.22 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 2.53 0.00 128 V 7.77 3.67 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 1.04 0.00 0.00 1.00 0.00 0.00 129 L 8.10 4.04 0.00 1.90 1.73 0.88 0.30 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 0.00 130 R 8.12 4.51 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.19 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 0.00 140 L 9.17 5.18 0.00 1.66 1.46 0.93 0.85 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 0.00 141 V 8.43 5.43 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 0.98 0.00 0.00 0.90 0.00 0.00 142 L 8.26 3.85 0.00 1.41 1.37 -0.64 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.74 4.78 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 0.90 0.00 0.00 0.77 0.00 0.00 144 D 8.63 5.19 0.00 2.78 2.44 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 0.00 145 R 8.98 4.03 0.00 1.70 1.92 0.00 3.21 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 146 G 8.16 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 0.00 147 E 8.26 4.55 0.00 2.04 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 2.21 2.21 0.00 148 G 8.50 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 0.00 149 A 7.51 4.38 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 0.00 150 G 8.08 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 0.00 151 E 8.05 3.99 0.00 2.22 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 2.40 2.42 0.00 152 L 7.82 3.97 0.00 1.62 1.84 0.92 0.99 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 0.00 153 L 8.24 4.12 0.00 1.71 1.79 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.93 4.20 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 0.00 155 R 7.68 4.10 0.00 1.98 2.13 0.00 3.30 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 *157 G 8.00 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 0.00 158 V 8.08 4.53 2.20 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 0.77 0.00 0.00 0.93 0.00 0.00 159 R 9.04 4.35 0.00 1.89 1.78 0.00 3.13 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 160 L 8.51 4.73 0.00 1.66 1.54 0.93 0.90 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 0.00 161 V 9.09 4.60 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 0.96 0.00 0.00 0.91 0.00 0.00 162 S 8.36 5.52 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.49 3.80 2.17 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 0.69 0.00 0.00 0.86 0.00 0.00 164 A 7.97 4.67 1.13 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 0.00 165 T 8.13 4.83 4.20 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 1.17 0.00 0.00 166 L 8.27 3.83 0.00 1.70 1.64 0.73 0.62 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 0.00 167 K 7.98 3.83 0.00 1.84 1.77 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 168 T 7.75 3.86 4.32 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 1.18 0.00 0.00 169 I 7.61 3.59 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.68 0.00 0.00 170 L 8.21 3.81 0.00 1.63 1.79 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.21 3.99 0.00 2.17 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 2.35 2.70 0.00 172 K 8.01 4.08 0.00 1.70 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.74 7.81 173 L 7.95 4.41 0.00 1.56 1.91 0.58 0.88 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 0.00 174 G 7.85 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 0.00 175 W 8.57 4.29 0.00 3.37 3.22 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 * Residues marked with a * may have inaccurate shift predictions.