NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3185 8.1744 115.2537 62.4510 68.5082 172.4788 3 T 4.6854 7.9430 119.3390 60.5178 70.3622 172.2015 4 R 4.2769 8.6911 123.8174 57.4797 31.7618 176.5335 5 L 4.5037 7.6281 119.2908 52.8961 45.1540 176.4414 6 E 4.3065 8.7011 127.0656 55.2088 27.7700 177.0291 7 W 4.3618 8.3871 121.5314 59.0707 28.4834 178.1662 8 A 3.4440 6.6798 120.5923 54.3235 17.7298 179.3464 9 K 3.9352 7.5803 115.9070 59.5604 32.3570 178.9674 10 A 4.3320 7.8170 119.8626 53.8225 19.6753 177.6784 11 S 4.5724 8.2690 112.1593 54.3651 62.8211 171.8713 12 P 4.3035 0.0000 0.0000 65.4454 31.2560 177.2493 13 D 4.3884 8.2075 116.6760 57.3423 40.5896 178.5939 14 A 4.0559 7.7867 119.4135 55.3455 18.5497 178.6298 15 Y 4.2807 7.9439 116.5105 60.9948 39.1813 177.9461 16 A 4.0765 8.5678 121.7901 54.8757 18.5316 179.3938 17 A 4.2325 7.9301 116.7799 52.9891 18.2579 179.2451 *19 L 4.4770 7.9938 123.0515 56.2502 43.9871 179.5703 20 G 3.8273 7.7918 104.7639 47.7474 0.0000 175.7170 21 L 4.0462 7.5848 119.8457 57.9135 41.6279 179.4670 22 E 4.1710 8.3923 117.9899 59.3481 29.2233 179.4645 23 K 4.0127 8.3785 118.1567 59.3555 32.4627 178.9679 24 A 4.1690 8.0761 121.3193 54.9113 18.3238 179.5217 25 L 4.1586 8.1070 117.9599 58.4634 40.5774 179.0454 26 A 4.0210 8.2309 121.4169 54.6007 18.3074 178.7492 27 K 4.2541 7.4555 112.8049 55.9530 32.9570 177.1321 28 A 4.2575 7.2409 122.7476 51.5757 18.9816 178.1373 29 G 3.6860 8.8694 109.4389 48.0334 0.0000 174.6440 30 L 4.0029 7.9293 121.5975 55.0748 42.7556 177.1655 31 E 4.0525 8.8497 125.0652 56.5578 30.8739 178.0447 32 R 3.8679 8.6905 123.2969 59.2968 30.3166 176.9860 33 P 4.2338 0.0000 0.0000 65.1862 31.2370 178.3483 34 L 3.9644 7.8774 118.7707 58.3013 42.1492 178.6628 35 I 3.7269 7.6082 119.5008 64.6868 36.9750 178.1581 36 E 3.9545 8.3949 119.2801 59.3885 29.2634 179.4305 37 L 4.0009 7.8558 118.5219 57.8141 41.7284 179.6845 38 V 3.5895 8.0766 118.2867 66.3107 31.4721 177.7053 39 Y 3.8536 8.6952 116.8693 60.8147 37.7956 178.3470 40 L 3.9893 8.3245 121.4449 58.2754 42.3330 178.9449 41 R 4.2161 8.5268 120.3188 59.1771 29.9799 178.5025 42 T 3.8549 7.9840 115.5031 66.9333 68.4190 176.8376 43 S 4.3004 8.1720 116.8869 61.4078 62.5418 176.8602 44 Q 4.0012 8.0551 120.6183 59.1448 28.3187 178.7523 45 I 3.8236 7.5433 119.2573 64.3646 37.2881 177.5733 46 N 4.6648 8.2908 114.3128 52.6452 38.8092 175.2522 47 G 3.7667 7.6319 108.1281 46.7231 0.0000 174.0569 48 C 4.4477 8.1204 121.7009 57.3668 31.2805 173.7215 49 A 4.0586 8.5494 130.4834 55.0740 17.8356 178.2147 50 Y 3.9960 8.0446 116.7915 61.2692 39.0756 177.7897 51 C 4.3503 8.2322 115.8007 62.4474 28.5735 175.7186 52 V 3.8384 8.0238 120.1228 65.9959 31.1056 178.2019 53 N 4.5287 7.9089 112.5466 55.1054 38.4245 175.7687 *55 H 4.5772 8.1982 117.7594 55.3171 31.1397 175.4535 56 A 4.0140 8.3109 121.4860 55.2703 18.1470 179.3166 57 N 4.2318 8.0852 114.8511 56.6446 38.7164 177.4729 58 D 4.2766 7.9530 119.4272 57.2340 40.8036 178.4517 59 A 3.9929 7.8992 120.2013 55.1492 18.6636 179.3741 60 R 3.9492 8.2982 117.5100 59.4831 29.9846 178.6100 61 K 3.8833 8.4385 118.3437 59.0255 32.1940 177.5473 62 A 4.4188 7.7872 118.2689 51.0734 19.1056 176.9105 63 G 3.7379 7.2381 105.4110 49.3575 0.0000 173.7124 64 E 3.6032 7.2658 118.0532 53.8537 31.0972 176.4850 65 T 4.6551 8.0752 116.9966 59.9367 72.5900 175.5544 66 E 4.0306 8.5162 121.8928 59.1115 29.4029 179.4942 67 Q 3.7530 7.7826 119.6557 59.2425 29.2651 178.2830 68 R 3.8491 7.6683 118.9187 58.8505 29.8590 178.9395 69 L 4.0882 7.7612 118.4626 57.9442 41.7634 179.3430 70 Q 4.1730 8.1721 115.9250 58.6477 28.9177 177.4462 71 A 4.5198 7.9367 121.7467 53.0703 18.9345 178.6798 72 L 4.0043 8.0143 119.3494 58.4055 42.1450 177.9043 73 C 4.5875 8.1498 110.4704 59.8626 29.5104 174.1954 74 V 4.5218 8.2775 115.9859 60.2962 32.8510 177.2405 75 W 4.5145 8.5055 119.5579 59.5947 28.3867 177.8440 76 Q 3.2457 7.0245 117.1178 58.1729 27.9917 177.6178 77 E 4.6571 7.4384 114.8841 56.3128 30.1183 175.7525 78 T 4.4577 7.6343 107.7446 59.2668 71.4109 171.8718 79 P 4.5813 0.0000 0.0000 63.2204 31.6972 176.3319 80 Y 4.3761 7.2920 116.5411 59.5651 38.2356 175.2897 81 F 5.1724 7.8752 118.0380 55.2882 41.8687 175.9399 82 T 4.1857 8.7664 114.9569 60.9914 70.6891 173.7716 83 P 4.2286 0.0000 0.0000 65.9782 31.3502 178.9612 84 R 3.4511 7.6948 116.6324 59.4066 30.1276 178.1723 85 E 4.0111 8.1149 118.3634 59.5594 29.4373 179.6654 86 R 3.3355 8.4039 118.1815 59.0349 30.1454 178.9883 87 A 4.0733 8.0549 120.3730 55.1812 18.3943 179.5999 88 A 3.9966 8.0563 118.7640 55.0073 18.4225 179.7316 89 L 3.7887 7.4774 117.3907 57.0709 41.5729 179.2715 90 A 4.3373 7.9810 121.0309 55.0220 18.3349 179.2018 91 W 4.3732 8.3118 126.8894 61.2188 30.6536 178.2598 92 T 3.8208 7.9519 115.3735 66.6083 67.7552 176.5234 93 E 3.9978 8.7402 120.7569 59.6612 29.3563 179.5223 94 Q 3.9564 7.8609 116.5221 59.0008 28.8647 178.5670 95 L 3.9176 7.7654 118.6007 57.0132 41.6865 178.8887 96 A 4.0861 7.9717 120.6223 54.2631 18.9129 179.0359 97 R 4.5363 7.5908 116.6997 56.1311 30.6462 178.6600 98 L 3.9618 7.7790 122.3834 57.9515 42.2038 177.1482 99 S 4.2338 7.9804 111.8665 60.2302 63.0601 174.5327 100 Q 4.2570 8.7608 119.1410 55.5630 29.0133 175.7729 101 G 4.0192 6.6865 103.9680 43.8161 0.0000 172.3478 102 A 4.1366 7.8720 122.9524 51.7412 18.9122 177.1497 103 L 4.3600 8.0821 121.0944 53.7913 41.8855 175.1873 104 P 4.0417 0.0000 0.0000 63.0327 31.9928 176.8704 105 H 4.2284 8.2645 120.2798 59.2872 28.9414 177.5444 106 G 4.0713 8.1124 105.3397 45.8612 0.0000 175.0019 107 L 4.0559 8.0034 123.1662 58.1292 42.1377 178.6717 108 L 3.6109 7.6931 120.4436 58.0033 41.9492 178.4458 109 D 4.3666 8.1716 118.4466 57.5347 40.7827 178.6220 110 E 4.5320 8.1833 120.1305 58.9053 29.4145 179.0473 111 L 4.1394 7.9482 119.3771 58.0249 41.5600 179.3447 112 R 4.7174 7.4901 113.0537 56.7488 29.7142 177.7846 113 E 4.0412 8.1928 120.8213 58.9107 29.2249 177.7661 114 H 4.6224 8.1725 114.0852 55.3755 31.1203 174.1450 115 F 5.0558 7.7234 116.8040 54.7494 42.7484 174.0365 116 D 4.7835 8.8718 123.4486 52.8729 41.6783 177.3090 117 D 4.3471 8.5946 119.9200 57.4499 40.7378 179.0450 118 K 3.9142 8.0825 119.5415 59.6550 32.2348 178.5123 119 E 4.1604 8.9309 119.1908 59.4528 29.2667 179.4727 120 I 3.2721 7.7492 119.6500 64.1682 37.1117 178.3224 121 A 4.0094 7.9648 121.6316 55.1664 18.1080 179.6051 122 E 3.9277 8.2000 117.1658 59.3559 29.4913 179.1416 123 L 3.9035 8.4017 120.7107 58.7200 42.0776 179.3172 124 T 4.1793 8.2586 115.7875 66.1491 68.3773 176.5838 125 L 3.9554 8.4589 122.8074 58.1255 42.1188 178.9176 126 A 4.2223 8.1959 120.6373 55.2862 18.4331 179.4673 127 V 3.5022 8.1738 117.1574 66.4482 31.5359 178.4603 128 S 4.0319 8.2345 114.2889 61.4837 62.7167 176.4811 129 A 3.9340 8.4398 123.7998 55.3202 18.2145 179.5641 130 I 3.5547 7.6237 117.0674 64.1020 37.8090 177.7918 131 N 4.2962 8.1924 117.2554 56.0470 38.1820 177.1000 132 A 3.8240 7.9726 122.0392 55.0327 18.4943 179.4692 133 W 4.5632 8.5993 117.5349 60.4233 29.1822 178.5341 134 N 4.4766 8.9662 116.4214 56.4086 37.8207 177.7749 135 R 3.8616 7.7617 119.1675 59.0909 29.9238 179.0311 136 F 3.8813 7.5839 116.7775 60.3186 38.8860 177.3715 137 G 4.0527 8.6274 104.4723 48.3121 0.0000 175.5123 138 V 3.9631 8.2194 120.7735 65.0780 31.6890 179.3260 139 G 3.8929 7.9409 101.8380 44.1010 0.0000 173.2906 *141 G 3.5753 7.7496 109.1155 45.0198 0.0000 173.1635 *143 Q 4.2490 8.3793 123.9658 54.5621 30.0605 173.8065 144 P 4.5740 0.0000 0.0000 63.2484 31.3607 176.2137 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 T 8.17 4.32 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 1.30 0.00 0.00 3 T 7.94 4.69 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 1.21 0.00 0.00 4 R 8.69 4.28 0.00 1.87 1.99 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 5 L 7.63 4.50 0.00 1.58 1.61 0.98 1.63 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 6 E 8.70 4.31 0.00 2.00 1.77 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 2.37 2.34 0.00 7 W 8.39 4.36 0.00 3.76 3.46 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 8 A 6.68 3.44 0.11 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 9 K 7.58 3.94 0.00 1.70 1.82 0.00 1.46 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.48 7.81 10 A 7.82 4.33 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 11 S 8.27 4.57 0.00 3.92 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 12 P 0.00 4.30 0.00 2.22 2.14 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 13 D 8.21 4.39 0.00 2.82 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 14 A 7.79 4.06 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.94 4.28 0.00 2.57 3.09 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 16 A 8.57 4.08 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 17 A 7.93 4.23 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 *19 L 7.99 4.48 0.00 1.76 1.73 0.57 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.79 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 21 L 7.58 4.05 0.00 1.87 1.83 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.39 4.17 0.00 2.29 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 2.99 2.63 0.00 23 K 8.38 4.01 0.00 1.84 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.64 7.81 24 A 8.08 4.17 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 25 L 8.11 4.16 0.00 1.99 1.99 1.00 0.92 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 26 A 8.23 4.02 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 27 K 7.46 4.25 0.00 1.97 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 28 A 7.24 4.26 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 29 G 8.87 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 30 L 7.93 4.00 0.00 1.82 1.63 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.85 4.05 0.00 2.13 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 2.42 2.46 0.00 32 R 8.69 3.87 0.00 1.89 1.92 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 33 P 0.00 4.23 0.00 2.22 2.10 0.00 3.60 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 2.12 2.14 0.00 34 L 7.88 3.96 0.00 1.90 1.86 1.12 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.61 3.73 1.94 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 1.54 0.57 0.63 0.00 0.00 36 E 8.39 3.95 0.00 2.12 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 2.54 2.48 0.00 37 L 7.86 4.00 0.00 1.87 1.66 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.08 3.59 2.38 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 1.11 0.00 0.00 1.00 0.00 0.00 39 Y 8.70 3.85 0.00 3.15 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 40 L 8.32 3.99 0.00 1.89 1.77 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.53 4.22 0.00 1.90 1.95 0.00 3.54 0.00 0.00 3.58 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 42 T 7.98 3.85 4.17 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 1.14 0.00 0.00 43 S 8.17 4.30 0.00 3.93 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 44 Q 8.06 4.00 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 45 I 7.54 3.82 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.60 0.91 0.00 0.00 46 N 8.29 4.66 0.00 2.80 2.86 0.00 0.00 7.05 7.25 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 47 G 7.63 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 48 C 8.12 4.45 0.00 3.03 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 49 A 8.55 4.06 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 50 Y 8.04 4.00 0.00 3.04 3.09 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 51 C 8.23 4.35 0.00 3.12 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 52 V 8.02 3.84 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 1.10 0.00 0.00 1.04 0.00 0.00 53 N 7.91 4.53 0.00 2.92 2.77 0.00 0.00 7.26 7.17 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 *55 H 8.20 4.58 0.00 3.48 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.31 4.01 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 57 N 8.09 4.23 0.00 2.72 2.82 0.00 0.00 7.09 8.05 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 58 D 7.95 4.28 0.00 2.62 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 59 A 7.90 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 60 R 8.30 3.95 0.00 1.91 2.13 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 61 K 8.44 3.88 0.00 1.79 1.92 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 62 A 7.79 4.42 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 63 G 7.24 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 64 E 7.27 3.60 0.00 2.04 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 2.34 2.44 0.00 65 T 8.08 4.66 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 1.14 0.00 0.00 66 E 8.52 4.03 0.00 1.96 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 2.29 0.00 67 Q 7.78 3.75 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 68 R 7.67 3.85 0.00 1.85 1.99 0.00 3.01 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.24 0.00 69 L 7.76 4.09 0.00 1.85 1.77 0.93 0.98 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 70 Q 8.17 4.17 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 71 A 7.94 4.52 1.78 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 72 L 8.01 4.00 0.00 2.03 1.87 0.66 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 73 C 8.15 4.59 0.00 3.18 3.24 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 74 V 8.28 4.52 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 0.91 0.00 0.00 1.06 0.00 0.00 75 W 8.51 4.51 0.00 3.10 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 76 Q 7.02 3.25 0.00 1.52 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.58 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 77 E 7.44 4.66 0.00 1.90 1.88 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 2.12 2.28 0.00 78 T 7.63 4.46 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 1.39 0.00 0.00 79 P 0.00 4.58 0.00 2.11 2.06 0.00 2.40 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.72 0.00 80 Y 7.29 4.38 0.00 2.28 2.35 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 0.00 81 F 7.88 5.17 0.00 3.14 3.04 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 82 T 8.77 4.19 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 1.23 0.00 0.00 83 P 0.00 4.23 0.00 2.13 2.18 0.00 3.60 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 2.14 2.20 0.00 84 R 7.69 3.45 0.00 1.59 1.74 0.00 2.82 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.00 85 E 8.11 4.01 0.00 2.32 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 2.41 2.41 0.00 86 R 8.40 3.34 0.00 2.04 2.24 0.00 3.32 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 87 A 8.05 4.07 1.51 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 0.00 0.00 88 A 8.06 4.00 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 89 L 7.48 3.79 0.00 0.27 0.38 -0.23 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.98 4.34 1.67 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 0.00 0.00 91 W 8.31 4.37 0.00 3.50 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 92 T 7.95 3.82 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 1.20 0.00 0.00 93 E 8.74 4.00 0.00 2.23 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 2.53 3.08 0.00 94 Q 7.86 3.96 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 95 L 7.77 3.92 0.00 1.34 1.44 -0.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.97 4.09 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 97 R 7.59 4.54 0.00 1.76 1.89 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 98 L 7.78 3.96 0.00 1.84 1.58 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.98 4.23 0.00 3.98 3.94 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 0.00 100 Q 8.76 4.26 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 101 G 6.69 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 0.00 102 A 7.87 4.14 1.24 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 0.00 0.00 103 L 8.08 4.36 0.00 1.65 1.56 0.95 0.37 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 0.00 104 P 0.00 4.04 0.00 2.21 1.96 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 105 H 8.26 4.23 0.00 3.23 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.11 4.07 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 0.00 107 L 8.00 4.06 0.00 2.15 2.09 1.07 0.61 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 0.00 108 L 7.69 3.61 0.00 1.96 1.73 0.70 1.30 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 0.00 109 D 8.17 4.37 0.00 2.94 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 0.00 110 E 8.18 4.53 0.00 2.25 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 0.00 2.39 2.38 0.00 111 L 7.95 4.14 0.00 1.71 1.52 0.72 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.49 4.72 0.00 1.98 2.01 0.00 3.23 0.00 0.00 3.06 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.51 0.00 113 E 8.19 4.04 0.00 1.85 1.79 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 2.27 2.43 0.00 114 H 8.17 4.62 0.00 2.86 2.81 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.72 5.06 0.00 2.89 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 0.00 116 D 8.87 4.78 0.00 2.98 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 D 8.59 4.35 0.00 2.78 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 0.00 118 K 8.08 3.91 0.00 1.82 2.00 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.63 7.81 119 E 8.93 4.16 0.00 2.35 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 0.00 2.43 2.57 0.00 120 I 7.75 3.27 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.59 0.00 0.00 121 A 7.96 4.01 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 0.00 122 E 8.20 3.93 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 2.34 2.44 0.00 123 L 8.40 3.90 0.00 1.42 1.61 0.87 0.43 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 0.00 124 T 8.26 4.18 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 1.34 0.00 0.00 125 L 8.46 3.96 0.00 1.83 1.95 0.96 1.02 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 0.00 126 A 8.20 4.22 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.50 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 0.90 0.00 0.00 1.04 0.00 0.00 128 S 8.23 4.03 0.00 4.14 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 0.00 129 A 8.44 3.93 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.62 3.55 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.39 0.69 0.00 0.00 131 N 8.19 4.30 0.00 2.99 2.77 0.00 0.00 6.86 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.97 3.82 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 0.00 133 W 8.60 4.56 0.00 3.49 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 0.00 134 N 8.97 4.48 0.00 2.90 2.90 0.00 0.00 7.08 7.53 0.00 0.00 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 R 7.76 3.86 0.00 1.88 1.64 0.00 3.19 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 136 F 7.58 3.88 0.00 2.90 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 0.00 137 G 8.63 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 0.00 138 V 8.22 3.96 2.16 0.00 0.00 0.00 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 1.06 0.00 0.00 139 G 7.94 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 0.00 0.00 0.00 *141 G 7.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 Q 8.38 4.25 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 144 P 0.00 4.57 0.00 2.19 2.05 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.