NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.5660 8.4045 120.3081 54.9874 33.3858 175.0220 6 R 4.2712 8.1040 123.8125 52.9456 31.1683 168.9403 7 V 3.6669 8.3533 123.3043 63.8636 32.6107 176.0469 8 G 3.9752 9.2399 115.3011 45.1347 0.0000 173.5278 9 E 4.1488 8.2454 120.8650 56.8934 30.4211 176.2232 10 R 5.3784 8.7733 122.8334 54.3500 33.3967 174.7284 11 F 5.1366 9.6981 125.6467 56.7141 42.6101 173.6449 12 T 4.7813 7.7649 121.3875 61.8303 71.0087 173.0894 13 H 4.4250 8.4868 124.7099 54.3114 32.8923 171.6294 14 D 5.2954 8.3416 124.8588 52.6110 43.7147 175.7683 15 F 4.5800 8.6359 124.3818 56.8517 42.9659 173.3352 16 V 3.8198 7.7348 127.1402 62.3279 32.2586 175.4895 17 V 3.6152 8.2199 129.1909 62.0752 32.2338 174.0367 18 P 4.8243 0.0000 0.0000 60.5364 32.8151 174.8793 19 P 4.2327 0.0000 0.0000 65.9481 30.9031 176.1717 20 H 4.2020 7.7373 112.8577 55.5943 29.2030 175.1482 21 K 3.9007 7.5621 118.3628 56.8633 32.8786 176.5458 22 T 5.5373 7.6990 108.0189 59.5612 70.9687 175.4021 23 V 3.3246 8.5752 120.3909 66.5843 30.9061 178.0995 24 R 3.9913 7.5139 114.6348 59.1852 29.9338 178.1447 25 H 4.5507 7.8811 114.2837 57.4038 28.9800 177.1005 26 L 4.1253 7.6327 122.2665 56.7595 43.0911 176.4095 27 Y 4.6665 7.7520 116.9952 53.8220 38.5953 173.8551 28 P 4.6099 0.0000 0.0000 64.3747 31.4883 177.8577 29 E 4.1272 8.3526 116.7141 57.2535 30.2970 175.6839 30 S 4.8067 7.9308 115.8460 56.0388 63.3037 172.7851 31 P 4.2717 0.0000 0.0000 65.5564 31.3973 178.7859 32 E 4.0085 7.3683 114.7609 58.7366 29.5626 177.6967 33 F 4.5758 7.8241 115.4792 57.2374 39.6922 177.3310 34 A 4.1118 7.7590 123.9128 54.9065 18.1255 178.5012 35 E 4.7913 8.1155 112.6723 56.1461 30.1762 176.3756 36 F 4.2941 8.2679 117.4042 56.4802 39.5949 173.8487 37 P 4.4271 0.0000 0.0000 63.1573 32.1774 177.0420 38 E 4.4692 8.4942 121.0411 56.1556 28.5864 175.9713 39 V 4.8080 7.1401 112.9407 58.7949 36.7490 176.6002 40 F 4.9857 9.1179 125.1323 59.0556 39.5662 174.9758 41 A 4.2088 8.7096 127.9060 51.9558 19.3536 178.3454 42 T 3.7803 8.7769 117.5566 66.8757 68.6019 177.3782 43 G 3.5073 7.7666 106.8909 47.6480 0.0000 175.6164 44 F 4.2831 7.4517 119.5257 60.2584 39.0690 177.3530 45 M 3.8986 7.6032 118.3021 58.4029 31.8845 178.2553 46 V 3.6078 8.2396 118.8203 66.1146 31.5924 178.0564 47 G 3.6746 7.9895 105.2377 47.9742 0.0000 175.3227 48 L 4.2180 8.3069 122.7888 58.0908 41.8852 178.9700 49 M 4.0647 8.2136 118.8647 58.2349 31.8379 178.5415 50 E 3.8119 8.3867 119.1151 59.0354 29.6417 179.0528 51 W 4.2869 8.5072 128.4444 60.4272 30.7180 177.6571 52 A 3.9239 7.8356 120.5921 55.5947 17.8273 179.5100 53 C 2.9935 7.4366 114.9090 62.4622 27.8699 176.5569 54 V 3.5603 7.8067 119.9514 65.8025 30.8463 178.3633 55 R 3.7791 7.7968 116.8204 59.1584 29.9963 178.3927 56 A 3.8344 7.1707 119.2940 55.2038 18.6790 179.0715 57 M 4.4769 8.2796 114.1311 56.9879 31.5647 178.2561 58 A 3.9952 7.7150 124.2814 54.9846 18.5432 177.3116 59 P 4.5693 0.0000 0.0000 63.6189 31.1060 176.1014 60 Y 4.6329 7.8981 114.7937 57.7849 39.5287 175.7990 61 L 4.4305 7.5994 120.3117 53.9429 42.9154 176.6082 62 E 4.3699 9.4903 122.1022 54.7404 30.4960 174.6623 63 P 4.4368 0.0000 0.0000 64.4737 31.9241 177.2719 64 G 3.9561 8.9759 109.5402 45.5786 0.0000 172.5110 65 E 5.1187 8.0087 118.9434 54.8071 31.9524 176.0971 66 G 4.2117 8.3252 110.1816 45.6726 0.0000 171.0652 67 S 5.2474 8.3771 115.7797 57.6443 66.1751 174.0969 68 L 4.7617 8.6493 119.4096 52.7406 46.1390 176.2275 69 G 4.2267 8.7559 109.6105 46.5918 0.0000 173.4184 70 T 4.7798 8.5823 113.4195 61.1453 70.5804 173.9050 71 A 4.5101 7.4538 121.0443 51.3956 22.4297 174.9756 72 I 4.9652 8.4360 120.4190 59.5668 41.3436 174.2258 73 C 4.7133 9.4495 129.3526 58.0631 33.9156 172.7757 74 V 5.1070 8.2067 118.1467 59.9076 35.5686 175.1556 75 T 4.4653 8.6967 113.4863 61.2648 71.3971 173.5676 76 H 5.2882 8.6446 121.4024 55.3128 31.1428 172.3252 77 T 4.6589 9.5829 115.8662 61.6159 70.0801 174.3684 78 A 4.6124 7.9251 122.9596 50.8725 22.1994 174.9111 79 A 4.7752 8.3256 121.4117 51.1406 21.1096 177.2667 80 T 4.6479 8.3753 116.0848 61.0325 71.6517 172.1096 81 P 5.0009 0.0000 0.0000 61.4516 33.1415 174.2979 82 P 4.4507 0.0000 0.0000 63.9936 31.8069 175.9328 83 G 4.0462 8.3766 110.7762 45.9571 0.0000 174.8150 84 L 4.2306 7.3732 119.1351 54.6286 43.2763 176.6493 85 T 4.5293 8.2534 118.8017 62.9070 70.0335 173.8154 86 V 4.2255 8.5329 127.8106 62.1488 33.3284 174.5820 87 T 4.8671 8.6130 125.2977 61.8582 70.7435 173.5052 88 V 4.5851 8.5553 127.3704 61.9129 33.6641 174.4963 89 T 4.9851 8.9772 124.7708 61.8483 70.9019 173.1340 90 A 5.0853 9.2441 129.2244 50.2073 21.4762 174.6167 91 E 5.2271 9.3415 124.6283 54.2491 32.4533 174.9121 92 L 3.7851 9.3024 130.5947 55.4441 42.4329 177.2885 93 R 4.2796 9.0532 126.3936 57.5939 31.8507 176.7701 94 S 4.5580 7.3139 110.8731 57.0331 66.4024 173.7305 95 V 4.6274 8.2482 123.1706 61.9629 34.3275 175.6114 96 E 4.4888 9.0755 124.0847 54.3666 32.5428 174.6755 97 G 3.9334 8.5918 121.3921 47.0169 0.0000 174.3720 98 R 4.1874 9.0508 128.2214 57.0140 30.1234 176.9757 99 R 5.1014 7.8522 118.5519 55.9872 32.0509 180.4263 100 L 5.0181 8.7648 124.4089 51.8137 45.0208 175.4674 101 S 5.1608 8.7506 118.0765 56.2397 65.1881 172.5129 102 W 5.2084 9.3254 127.1473 54.7971 32.2866 174.7407 103 R 4.7216 9.0720 125.2745 56.0193 30.7337 175.4140 104 V 5.2392 8.8506 120.1268 59.8463 34.9547 174.9678 105 S 5.2067 8.7952 116.9656 57.2172 66.8430 172.6739 106 A 5.3620 9.2941 122.3879 50.7904 22.8601 174.7876 107 H 5.3739 8.8746 114.8524 53.7482 32.4728 173.3989 108 D 5.1036 8.6240 119.0786 52.4480 39.4840 177.1648 109 G 4.1197 8.7903 110.3798 45.7313 0.0000 174.7364 110 V 4.1864 7.9593 116.2168 63.8063 33.2816 175.2009 111 D 4.9718 8.9823 118.8287 51.7751 44.2446 175.0987 112 E 4.4015 8.8990 122.1720 57.2134 29.8887 176.8907 113 I 4.4062 8.6696 116.9111 60.6645 39.9893 175.5735 114 G 4.4625 7.4139 110.5859 46.9146 0.0000 172.1680 115 S 5.0403 6.9875 112.1890 56.0324 66.2054 174.9886 116 G 4.2385 7.7383 113.8678 46.5002 0.0000 171.2797 117 T 5.2754 8.3722 113.3281 60.1403 72.6021 173.0799 118 H 5.4237 9.3953 122.6305 54.6821 33.3005 171.7957 119 E 5.3686 9.1057 124.7292 54.8337 32.6311 175.2544 120 R 5.1896 8.9694 120.2950 54.4679 35.3368 173.8543 121 A 5.2085 8.9266 123.1337 49.9202 21.9746 175.8545 122 V 4.3582 8.7209 123.9259 62.8271 32.3714 175.3970 123 I 4.6621 8.6992 123.2561 59.8813 41.3961 175.3713 *124 H 4.5604 8.6635 120.6089 53.4893 27.8354 176.8159 125 L 4.2667 8.5746 127.4721 56.9316 41.2890 179.7583 126 E 4.0355 8.1100 118.1352 59.2305 29.7371 179.2003 127 K 3.9917 7.9791 118.0723 59.2291 32.2731 179.0261 128 F 4.0648 8.9006 121.2244 61.5539 39.3037 176.8290 129 N 4.2266 8.3858 115.8316 56.1554 38.1492 177.1645 130 A 3.9137 8.1863 122.1900 55.2472 18.3051 179.5879 131 K 3.7253 7.5118 115.2255 59.9433 32.4187 179.5762 132 V 3.5458 7.3945 112.3395 64.2073 31.3836 178.5829 133 R 4.1118 7.9695 119.8956 58.7005 29.7641 178.0372 134 Q 4.2848 7.6966 115.1043 57.3393 28.6049 176.5318 135 K 4.5198 7.4832 118.2969 56.6081 33.6199 175.9900 136 T 4.1650 7.8501 118.4463 62.4573 69.0608 173.1341 137 P 4.4051 0.0000 0.0000 63.0561 31.3454 176.1035 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 5 M 8.40 3.57 0.00 1.57 1.23 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.06 0.00 6 R 8.10 4.27 0.00 1.75 1.78 0.00 3.35 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 7 V 8.35 3.67 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 0.95 0.00 0.00 0.81 0.00 0.00 8 G 9.24 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 9 E 8.25 4.15 0.00 2.12 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 2.39 2.41 0.00 10 R 8.77 5.38 0.00 1.72 1.88 0.00 3.27 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 11 F 9.70 5.14 0.00 3.07 2.91 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 0.00 0.00 0.00 12 T 7.76 4.78 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 1.02 0.00 0.00 13 H 8.49 4.43 0.00 2.88 2.88 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.34 5.30 0.00 2.42 2.41 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 15 F 8.64 4.58 0.00 2.87 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 16 V 7.73 3.82 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 0.56 0.00 0.00 0.75 0.00 0.00 17 V 8.22 3.62 1.85 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 0.86 0.00 0.00 0.36 0.00 0.00 18 P 0.00 4.82 0.00 1.99 2.00 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 19 P 0.00 4.23 0.00 2.20 2.24 0.00 3.70 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 2.01 1.97 0.00 20 H 7.74 4.20 0.00 3.11 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.56 3.90 0.00 1.80 1.49 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.99 1.52 7.81 22 T 7.70 5.54 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 1.46 0.00 0.00 23 V 8.58 3.32 2.04 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 0.08 0.00 0.00 1.06 0.00 0.00 24 R 7.51 3.99 0.00 1.79 2.00 0.00 3.35 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 25 H 7.88 4.55 0.00 3.49 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.63 4.13 0.00 1.27 1.65 -0.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.75 4.67 0.00 3.25 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 28 P 0.00 4.61 0.00 2.19 2.21 0.00 3.49 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 29 E 8.35 4.13 0.00 2.20 2.30 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 2.61 2.38 0.00 30 S 7.93 4.81 0.00 3.81 4.15 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 0.00 0.00 0.00 31 P 0.00 4.27 0.00 2.19 2.08 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 32 E 7.37 4.01 0.00 1.61 1.80 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 2.22 2.25 0.00 33 F 7.82 4.58 0.00 2.97 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 34 A 7.76 4.11 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 35 E 8.12 4.79 0.00 2.03 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 2.30 2.37 0.00 36 F 8.27 4.29 0.00 3.22 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 37 P 0.00 4.43 0.00 2.09 2.02 0.00 3.63 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 38 E 8.49 4.47 0.00 2.01 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 2.37 2.32 0.00 39 V 7.14 4.81 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 0.94 0.00 0.00 1.03 0.00 0.00 40 F 9.12 4.99 0.00 3.13 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 41 A 8.71 4.21 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 42 T 8.78 3.78 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 1.19 0.00 0.00 43 G 7.77 3.51 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 0.00 44 F 7.45 4.28 0.00 2.88 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 45 M 7.60 3.90 0.00 1.92 1.55 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 46 V 8.24 3.61 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 0.98 0.00 0.00 0.92 0.00 0.00 47 G 7.99 3.67 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 0.00 48 L 8.31 4.22 0.00 2.02 1.99 0.71 1.15 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 49 M 8.21 4.06 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 50 E 8.39 3.81 0.00 2.14 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 1.93 2.36 0.00 51 W 8.51 4.29 0.00 3.43 3.19 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 52 A 7.84 3.92 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 53 C 7.44 2.99 0.00 2.68 1.76 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 54 V 7.81 3.56 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 1.05 0.00 0.00 0.93 0.00 0.00 55 R 7.80 3.78 0.00 1.83 1.49 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 56 A 7.17 3.83 1.25 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 0.00 0.00 57 M 8.28 4.48 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 58 A 7.72 4.00 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 59 P 0.00 4.57 0.00 1.63 1.96 0.00 3.75 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 1.85 1.99 0.00 60 Y 7.90 4.63 0.00 3.18 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 61 L 7.60 4.43 0.00 1.63 1.62 1.00 1.40 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 62 E 9.49 4.37 0.00 2.05 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 2.34 2.44 0.00 63 P 0.00 4.44 0.00 2.04 2.00 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 64 G 8.98 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 0.00 0.00 0.00 65 E 8.01 5.12 0.00 2.17 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 2.28 2.25 0.00 66 G 8.33 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 0.00 0.00 0.00 67 S 8.38 5.25 0.00 3.94 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 68 L 8.65 4.76 0.00 1.44 1.44 0.36 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.76 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 0.00 0.00 0.00 0.00 70 T 8.58 4.78 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 1.24 0.00 0.00 71 A 7.45 4.51 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 72 I 8.44 4.97 1.91 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 1.22 0.87 0.92 0.00 0.00 73 C 9.45 4.71 0.00 2.99 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 74 V 8.21 5.11 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 0.81 0.00 0.00 0.93 0.00 0.00 75 T 8.70 4.47 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 1.24 0.00 0.00 76 H 8.64 5.29 0.00 3.12 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.58 4.66 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 1.25 0.00 0.00 78 A 7.93 4.61 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 79 A 8.33 4.78 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 80 T 8.38 4.65 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 1.12 0.00 0.00 81 P 0.00 5.00 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.45 0.00 2.03 1.95 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 G 8.38 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 84 L 7.37 4.23 0.00 1.48 1.69 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.25 4.53 4.16 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 0.00 0.00 0.00 1.10 0.00 0.00 86 V 8.53 4.23 1.98 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 0.99 0.00 0.00 0.65 0.00 0.00 87 T 8.61 4.87 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 1.11 0.00 0.00 88 V 8.56 4.59 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 0.92 0.00 0.00 0.95 0.00 0.00 89 T 8.98 4.99 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 1.24 0.00 0.00 90 A 9.24 5.09 1.21 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 0.00 0.00 91 E 9.34 5.23 0.00 2.09 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 2.23 2.26 0.00 92 L 9.30 3.79 0.00 1.16 1.27 -0.49 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 93 R 9.05 4.28 0.00 1.73 1.90 0.00 3.39 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 94 S 7.31 4.56 0.00 3.75 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 95 V 8.25 4.63 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 0.72 0.00 0.00 0.65 0.00 0.00 96 E 9.08 4.49 0.00 1.85 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 2.12 2.09 0.00 97 G 8.59 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 98 R 9.05 4.19 0.00 1.75 1.93 0.00 3.21 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.00 99 R 7.85 5.10 0.00 1.51 1.82 0.00 3.18 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 100 L 8.76 5.02 0.00 1.66 1.02 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.75 5.16 0.00 3.77 3.57 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 0.00 102 W 9.33 5.21 0.00 3.24 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 0.00 103 R 9.07 4.72 0.00 1.94 1.88 0.00 3.07 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 104 V 8.85 5.24 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 0.80 0.00 0.00 1.05 0.00 0.00 105 S 8.80 5.21 0.00 3.90 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 0.00 106 A 9.29 5.36 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 0.00 107 H 8.87 5.37 0.00 3.27 3.56 0.00 5.24 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.62 5.10 0.00 2.72 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 0.00 109 G 8.79 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 0.00 0.00 0.00 110 V 7.96 4.19 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.98 4.97 0.00 2.68 2.52 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 0.00 112 E 8.90 4.40 0.00 1.98 1.95 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 2.34 2.28 0.00 113 I 8.67 4.41 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 1.12 0.00 0.00 114 G 7.41 4.46 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 0.00 115 S 6.99 5.04 0.00 3.88 3.68 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 0.00 116 G 7.74 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 0.00 0.00 0.00 0.00 117 T 8.37 5.28 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 0.00 118 H 9.40 5.42 0.00 3.22 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.11 5.37 0.00 1.94 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 2.24 2.29 0.00 120 R 8.97 5.19 0.00 1.88 1.86 0.00 3.06 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 121 A 8.93 5.21 1.18 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 0.00 0.00 0.00 122 V 8.72 4.36 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 0.86 0.00 0.00 1.00 0.00 0.00 123 I 8.70 4.66 1.78 0.00 0.00 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 0.86 0.49 0.77 0.00 0.00 *124 H 8.66 4.56 0.00 2.86 3.02 0.00 7.20 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.57 4.27 0.00 1.88 1.81 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.11 4.04 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 2.41 2.48 0.00 127 K 7.98 3.99 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.46 7.81 128 F 8.90 4.06 0.00 3.13 3.16 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 0.00 0.00 0.00 0.00 129 N 8.39 4.23 0.00 3.00 2.88 0.00 0.00 6.99 7.60 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 0.00 130 A 8.19 3.91 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 0.00 131 K 7.51 3.73 0.00 1.73 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 132 V 7.39 3.55 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 0.20 0.00 0.00 0.89 0.00 0.00 133 R 7.97 4.11 0.00 2.00 1.93 0.00 3.12 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 134 Q 7.70 4.28 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 135 K 7.48 4.52 0.00 1.83 1.85 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.31 7.81 136 T 7.85 4.17 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 0.00 137 P 0.00 4.41 0.00 2.17 2.03 0.00 3.78 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.