NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.5300 8.1648 122.9781 51.9374 19.9600 175.8126 *2 I 4.0429 7.9540 119.1669 61.6143 37.9905 176.0104 3 V 4.1488 8.5777 124.9807 63.6755 32.7475 175.7992 4 G 4.6779 7.4640 104.1408 46.2934 0.0000 172.1782 5 L 5.2600 8.2145 123.1582 53.1345 45.8431 175.2596 6 G 4.3694 9.0828 111.8541 45.1715 0.0000 171.1943 7 T 5.2458 8.2510 115.3026 60.8360 70.8976 172.1815 8 D 4.7799 8.8279 124.4053 53.1033 45.2735 173.6410 9 I 5.0954 8.4421 123.7622 59.1477 40.9699 174.1270 10 A 4.9304 9.4307 130.4149 50.0226 22.3934 174.8024 11 E 4.4878 8.8715 123.0192 55.3908 30.2658 177.1283 12 I 3.6987 8.5189 128.7174 64.5891 37.1002 177.9691 13 E 3.8648 8.0946 119.4897 59.4370 29.3712 179.0133 14 R 3.8291 7.7166 118.2464 58.9447 29.9952 179.2025 15 V 3.4520 7.5846 117.6829 65.9163 31.6763 177.6706 16 E 3.9609 8.3267 118.4947 59.4921 29.1798 179.5635 17 K 3.9025 8.2511 118.3467 59.3401 32.0784 179.2615 18 A 3.6693 7.7484 121.0018 54.9806 18.1357 179.7076 19 L 4.0646 8.0457 117.4337 57.9225 41.4946 179.6371 20 A 4.0520 7.9846 119.6763 54.4885 18.2769 179.2872 21 R 4.2242 7.4031 115.5929 58.1813 31.0719 178.2114 22 S 4.7100 8.5176 112.7073 56.2124 64.8502 176.0204 23 G 3.9792 8.7094 111.1803 45.9883 0.0000 175.7597 24 E 4.0465 9.0678 123.8564 59.2180 28.9708 177.6902 25 N 4.4568 7.8477 115.9125 56.0032 38.8088 176.9588 26 F 4.3681 8.1901 121.3904 61.2719 39.6872 176.9662 27 A 3.4856 8.1054 120.3871 55.2682 17.8049 179.7869 28 R 3.7955 8.1136 115.8478 59.4285 30.1464 179.2415 29 R 4.0077 7.6020 117.0882 58.3807 30.0200 177.5311 30 I 3.7367 7.1133 117.6236 61.5179 38.6105 175.7153 31 L 4.8546 7.5777 119.3785 52.9501 43.5021 177.0806 32 T 4.0417 8.8179 113.5909 61.2977 70.7323 175.5714 33 D 4.3578 8.4248 121.3051 57.5526 40.5238 178.7798 34 S 4.2527 7.9719 113.2142 61.4866 62.5442 175.9501 35 E 4.1862 8.2300 120.8758 59.1498 29.0923 179.2220 36 L 4.0349 7.8828 119.3415 57.5437 41.4213 179.3485 37 E 3.9899 7.8831 117.8884 59.6135 29.2172 179.4159 38 Q 3.9974 8.0038 116.2982 58.6341 29.1742 177.8669 39 F 2.8946 7.9572 121.6976 61.4359 39.1545 177.0109 40 H 3.9655 8.1805 114.2384 58.5464 28.5245 177.1727 41 A 4.0853 7.3125 121.1883 52.9354 18.7973 177.8639 42 S 4.1332 6.8901 112.0503 58.3534 62.8993 173.9200 43 K 4.4616 8.4702 124.0264 56.2526 32.9253 177.1457 44 Q 4.5695 8.0354 117.4625 53.8941 28.5122 175.6320 45 Q 4.0696 8.0445 123.3881 59.4422 29.1892 178.2070 46 G 3.7697 8.1613 106.4568 47.9988 0.0000 175.8476 47 R 3.9815 8.0165 120.2211 58.7291 30.3290 178.4869 48 F 4.0495 8.5772 120.7384 61.5622 39.3276 177.0733 49 L 4.1847 8.9693 120.0067 58.0271 41.8501 178.6023 50 A 4.0950 8.4568 121.1060 55.1751 18.2761 179.7925 51 K 3.9612 8.1041 116.8764 59.6718 32.0482 179.8838 52 R 3.8539 7.8820 118.0834 58.9619 29.9239 178.7172 53 F 3.9582 8.6431 120.6882 61.3603 39.3193 177.0393 54 A 4.5011 8.6838 121.4458 54.6138 18.0992 179.4234 55 A 3.8507 8.1308 119.2942 55.3255 18.4474 180.1145 56 K 3.3756 8.1253 117.1053 59.2460 32.0843 179.5412 57 E 3.5880 8.0357 118.7198 59.1481 29.3800 179.0722 58 A 3.8584 8.0713 120.8442 55.2548 18.4078 179.5612 59 A 3.8573 7.8876 119.5691 55.2106 18.3465 180.0507 60 S 4.1963 7.6521 112.7807 61.4048 63.0770 176.9347 61 K 3.9753 7.9983 122.0560 59.0695 31.7778 179.1532 62 A 4.2538 7.8964 122.4869 54.5223 18.0469 179.5023 63 L 4.1478 7.8003 116.5548 56.0856 41.8008 178.3997 64 G 4.0037 8.0329 106.6521 45.2610 0.0000 173.7781 65 T 4.2806 7.5696 108.4824 60.0811 70.9448 175.6904 66 G 4.0391 7.8202 110.5631 45.7839 0.0000 173.7981 67 I 3.8425 7.8327 117.1578 59.0967 35.5976 174.4307 68 A 4.2345 8.3716 127.5467 52.1520 22.6755 176.2448 69 Q 3.5598 9.7934 114.8806 57.1846 26.0402 175.6634 70 G 3.9026 8.4880 106.4394 45.2052 0.0000 174.5283 71 V 3.9227 7.7604 121.4165 62.4752 32.0822 175.0539 72 T 4.8629 8.4590 116.5218 59.2118 71.8565 174.9157 73 F 4.2701 8.6445 120.2505 61.1792 38.9659 177.2606 74 H 4.6600 7.8718 115.5036 57.5828 28.7433 175.8941 75 D 4.5087 8.1134 118.8973 54.5666 40.9488 175.4149 76 F 5.3308 7.8212 117.9924 55.7858 41.5915 174.9500 77 T 4.8055 9.0670 119.9687 61.8736 71.6196 172.8399 78 I 4.9309 9.0026 128.2182 60.0893 38.9057 175.3044 79 S 4.9217 8.8625 121.6458 57.3691 66.5793 172.4497 80 H 5.2458 8.6126 114.6354 54.5687 32.6669 173.1005 81 D 4.7814 8.7521 122.8838 51.9024 40.8735 177.3095 82 K 4.0646 8.5159 117.3862 59.2329 32.4990 177.5276 83 L 4.3195 8.2440 118.2487 54.6152 41.9846 177.2693 84 G 4.0086 8.1930 107.4937 44.4014 0.0000 173.8530 85 K 4.2389 8.0960 122.4736 55.6775 33.2154 174.2341 86 P 4.7347 0.0000 0.0000 62.7510 32.4375 175.5096 87 L 4.8567 9.0621 121.6102 52.8324 45.7342 175.0393 88 L 5.1382 8.5720 124.1123 53.3512 44.3651 175.3221 89 I 4.6327 8.9219 127.0470 59.5406 40.2917 174.7329 90 L 5.1058 8.5142 125.9661 53.6217 43.9291 175.4687 91 S 4.3806 8.6937 115.7405 56.8568 67.1200 174.7250 92 G 3.7524 8.7662 108.3376 46.6551 0.0000 176.0459 93 Q 3.9047 8.5934 119.5680 58.7471 28.9052 177.8430 94 A 3.8175 7.9441 121.3935 55.1276 18.3191 179.3346 95 A 3.8510 7.6734 119.0981 55.0152 18.4036 179.4668 96 E 3.8238 8.0698 117.8726 59.4572 29.7224 179.1080 97 L 3.9586 8.1466 118.9817 57.7676 41.5943 179.3728 98 A 3.9848 8.2389 120.9537 55.1004 18.2921 179.5913 99 S 4.0068 8.2611 111.8000 61.7551 62.2531 176.5186 100 Q 4.0594 7.8490 119.5933 58.5831 28.5282 177.8537 101 L 4.2414 7.8535 117.4019 54.2164 42.2871 176.6355 102 Q 3.5004 8.1520 117.6999 56.5800 26.7919 173.6425 103 V 3.7932 8.0319 118.1237 63.3186 31.8247 175.0762 104 E 4.7382 9.1444 125.9339 56.2846 32.0689 176.0549 105 N 5.0471 8.0020 116.2434 51.4500 43.2086 173.3018 106 I 4.9297 8.3225 123.0295 59.7716 40.2759 174.5143 107 H 5.0209 9.3043 123.7334 53.8896 32.1147 172.6441 108 L 5.1925 8.4360 123.2092 53.5700 45.2841 175.1058 109 S 4.8447 9.1366 119.5048 56.6699 66.2202 172.5379 110 I 5.0610 8.2591 124.4955 59.8142 40.7990 174.7146 111 S 4.6846 8.4615 118.3721 56.8644 65.5022 172.4622 112 D 5.1916 8.4345 124.3114 51.6438 41.2997 174.6765 113 E 4.8990 8.7357 118.1562 55.1307 32.0488 176.2302 114 R 4.1262 8.8638 115.8110 59.5257 30.3840 177.1100 115 H 4.5954 9.0640 113.5407 55.6159 30.7083 173.4963 116 Y 5.3374 7.7051 115.8296 56.0870 42.2105 174.5875 117 A 5.4941 9.2746 123.7421 49.1856 23.0457 174.8845 *119 A 4.5255 8.2183 119.0092 52.4799 20.4693 175.9935 120 T 5.1343 8.6204 115.0821 61.7654 73.1286 173.3927 121 V 4.9380 8.9619 124.2879 61.2082 35.2102 174.1748 122 I 5.0637 8.9250 127.7453 59.5023 40.7852 174.2137 123 L 5.2925 8.8576 126.5814 52.9268 44.2693 175.3872 124 E 5.0841 9.3694 121.1068 54.3678 33.8549 176.1609 125 R 4.5693 8.3392 115.5695 55.6040 29.7826 175.7581 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 0 A 8.16 4.53 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 *2 I 7.95 4.04 1.87 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 1.30 0.59 0.97 0.00 0.00 3 V 8.58 4.15 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 0.74 0.00 0.00 0.98 0.00 0.00 4 G 7.46 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.21 5.26 0.00 1.71 1.44 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.08 4.37 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 0.00 7 T 8.25 5.25 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 1.19 0.00 0.00 8 D 8.83 4.78 0.00 2.77 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 9 I 8.44 5.10 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.27 0.91 0.00 0.00 10 A 9.43 4.93 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 0.00 0.00 0.00 0.00 0.00 11 E 8.87 4.49 0.00 2.15 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 2.26 2.10 0.00 12 I 8.52 3.70 1.78 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 1.42 0.42 0.90 0.00 0.00 13 E 8.09 3.86 0.00 1.98 1.89 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 2.33 2.37 0.00 14 R 7.72 3.83 0.00 1.92 1.86 0.00 3.41 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 15 V 7.58 3.45 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 1.36 0.00 0.00 0.87 0.00 0.00 16 E 8.33 3.96 0.00 2.16 1.97 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 2.35 2.51 0.00 17 K 8.25 3.90 0.00 1.82 1.77 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.60 7.81 18 A 7.75 3.67 0.30 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 19 L 8.05 4.06 0.00 1.91 1.84 1.19 1.13 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 20 A 7.98 4.05 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 21 R 7.40 4.22 0.00 1.66 1.94 0.00 3.04 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 22 S 8.52 4.71 0.00 3.89 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 23 G 8.71 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 24 E 9.07 4.05 0.00 2.19 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 2.45 2.53 0.00 25 N 7.85 4.46 0.00 2.92 2.93 0.00 0.00 7.00 7.35 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 26 F 8.19 4.37 0.00 3.06 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 27 A 8.11 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.11 3.80 0.00 1.80 2.02 0.00 3.20 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 29 R 7.60 4.01 0.00 1.73 1.89 0.00 3.22 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 30 I 7.11 3.74 1.41 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.20 0.60 0.00 0.00 31 L 7.58 4.85 0.00 1.51 1.52 0.55 1.20 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 32 T 8.82 4.04 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 1.27 0.00 0.00 33 D 8.42 4.36 0.00 2.65 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 34 S 7.97 4.25 0.00 3.90 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 35 E 8.23 4.19 0.00 2.29 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 0.00 2.42 2.41 0.00 36 L 7.88 4.03 0.00 1.92 1.62 0.99 0.87 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 37 E 7.88 3.99 0.00 2.17 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 2.36 2.54 0.00 38 Q 8.00 4.00 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 39 F 7.96 2.89 0.00 2.72 2.98 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 40 H 8.18 3.97 0.00 3.22 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.31 4.09 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 42 S 6.89 4.13 0.00 3.60 3.50 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 43 K 8.47 4.46 0.00 1.74 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.34 7.81 44 Q 8.04 4.57 0.00 2.20 2.19 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 2.27 2.40 0.00 45 Q 8.04 4.07 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 1.72 2.18 0.00 46 G 8.16 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 0.00 0.00 0.00 47 R 8.02 3.98 0.00 2.07 2.04 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.58 4.05 0.00 3.33 3.38 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 49 L 8.97 4.18 0.00 2.10 1.92 0.70 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.46 4.10 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 51 K 8.10 3.96 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.50 7.81 52 R 7.88 3.85 0.00 2.00 1.96 0.00 3.23 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 53 F 8.64 3.96 0.00 3.17 3.27 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 54 A 8.68 4.50 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 55 A 8.13 3.85 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 56 K 8.13 3.38 0.00 1.86 1.72 0.00 1.85 0.00 0.00 2.15 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.65 7.81 57 E 8.04 3.59 0.00 1.90 1.81 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 1.95 1.61 0.00 58 A 8.07 3.86 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 59 A 7.89 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.65 4.20 0.00 4.12 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 61 K 8.00 3.98 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.52 7.81 62 A 7.90 4.25 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 63 L 7.80 4.15 0.00 1.89 1.78 1.10 1.05 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 64 G 8.03 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 0.00 0.00 0.00 65 T 7.57 4.28 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 66 G 7.82 4.04 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 0.00 67 I 7.83 3.84 1.66 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.07 0.64 0.00 0.00 68 A 8.37 4.23 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 69 Q 9.79 3.56 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.49 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 0.00 0.00 0.00 71 V 7.76 3.92 2.33 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 1.04 0.00 0.00 0.92 0.00 0.00 72 T 8.46 4.86 4.24 0.00 0.00 0.00 0.00 0.00 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 73 F 8.64 4.27 0.00 3.33 3.36 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 74 H 7.87 4.66 0.00 3.14 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.11 4.51 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 5.33 0.00 2.94 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 77 T 9.07 4.81 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 1.24 0.00 0.00 78 I 9.00 4.93 1.85 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 1.24 0.40 0.79 0.00 0.00 79 S 8.86 4.92 0.00 3.85 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 80 H 8.61 5.25 0.00 3.12 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.75 4.78 0.00 2.91 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 82 K 8.52 4.06 0.00 1.90 2.01 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.24 4.32 0.00 1.78 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.19 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 0.00 0.00 0.00 85 K 8.10 4.24 0.00 1.87 2.00 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 86 P 0.00 4.73 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 87 L 9.06 4.86 0.00 1.49 1.53 0.89 0.39 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 88 L 8.57 5.14 0.00 1.60 1.53 1.12 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.92 4.63 1.88 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 1.23 0.67 0.90 0.00 0.00 90 L 8.51 5.11 0.00 1.46 1.43 0.92 0.92 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 91 S 8.69 4.38 0.00 3.74 3.88 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 92 G 8.77 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 0.00 0.00 0.00 93 Q 8.59 3.90 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 94 A 7.94 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.67 3.85 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 96 E 8.07 3.82 0.00 2.08 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 0.00 2.28 2.37 0.00 97 L 8.15 3.96 0.00 1.84 1.68 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.24 3.98 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 99 S 8.26 4.01 0.00 3.98 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 0.00 100 Q 7.85 4.06 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 101 L 7.85 4.24 0.00 1.76 1.70 0.92 0.80 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 0.00 102 Q 8.15 3.50 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 103 V 8.03 3.79 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 0.75 0.00 0.00 0.97 0.00 0.00 104 E 9.14 4.74 0.00 1.81 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 2.22 2.39 0.00 105 N 8.00 5.05 0.00 2.67 2.56 0.00 0.00 6.93 7.24 0.00 0.00 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 I 8.32 4.93 1.84 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 1.34 0.59 0.91 0.00 0.00 107 H 9.30 5.02 0.00 3.01 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.44 5.19 0.00 1.55 1.45 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.14 4.84 0.00 3.89 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 0.00 110 I 8.26 5.06 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.90 0.00 0.00 111 S 8.46 4.68 0.00 3.80 3.65 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 0.00 112 D 8.43 5.19 0.00 2.94 2.60 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 0.00 113 E 8.74 4.90 0.00 2.19 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 0.00 2.27 2.40 0.00 114 R 8.86 4.13 0.00 1.70 1.86 0.00 3.15 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 115 H 9.06 4.60 0.00 2.90 2.55 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.71 5.34 0.00 3.07 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 0.00 117 A 9.27 5.49 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 *119 A 8.22 4.53 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 0.00 120 T 8.62 5.13 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 1.25 0.00 0.00 121 V 8.96 4.94 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 1.01 0.00 0.00 0.90 0.00 0.00 122 I 8.93 5.06 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.98 0.00 0.00 123 L 8.86 5.29 0.00 1.58 1.56 0.99 0.60 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 0.00 124 E 9.37 5.08 0.00 1.98 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 2.37 2.25 0.00 125 R 8.34 4.57 0.00 2.08 2.07 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.