NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A A 4.2197 8.1233 123.5877 53.1921 19.8823 176.6538 1 M 3.0728 8.5507 115.3599 56.6085 29.4139 175.4842 2 H 5.0976 7.8371 113.5133 55.2346 30.7359 174.6026 3 V 4.4616 7.7957 118.2392 61.8172 34.3377 173.1897 4 A 4.8506 8.4382 129.7229 50.3323 21.1112 175.1061 5 Q 5.0072 8.4499 122.7522 53.7592 33.0213 172.4692 6 P 4.3635 0.0000 0.0000 62.5257 32.3660 177.1549 7 A 3.9936 8.5793 123.6799 54.5670 19.4466 177.1549 8 V 4.6572 7.0528 111.0926 60.3261 35.1713 175.1412 9 V 4.3662 8.5226 120.3839 61.1835 34.8523 173.9019 10 L 4.9562 8.7018 127.5532 54.1140 42.4599 175.9749 11 A 4.9919 8.7771 125.8079 50.1827 21.8025 176.6584 12 S 4.4547 8.2140 116.0508 57.7696 63.9770 176.0831 13 S 4.1365 8.5959 117.2584 61.9060 62.5932 176.4175 14 R 3.9209 7.9094 119.1488 58.1572 30.2390 176.4779 15 G 4.1411 7.9235 107.4889 45.8504 0.0000 173.6796 16 I 4.7420 7.9542 121.3190 59.6380 38.6453 175.2173 17 A 4.8944 9.0696 130.7538 50.2243 20.8588 175.4013 18 S 5.2168 8.6754 118.0943 57.1352 66.4313 173.6707 19 F 4.9948 8.2557 118.0554 55.6437 41.9040 173.1190 20 V 5.1479 8.3941 118.6975 60.3674 33.7946 175.0143 21 C 5.1111 8.8401 128.7038 54.9943 43.2801 172.7060 22 E 4.8454 9.0230 125.6520 56.3029 31.2843 174.8220 23 Y 5.1872 8.3359 117.8231 55.6220 41.9230 173.8818 24 A 4.8217 8.8620 120.1561 50.1607 21.4876 175.7972 25 S 4.9094 8.5412 115.7317 55.5384 66.3402 173.3658 26 P 4.2117 0.0000 0.0000 65.0863 31.4128 175.8281 27 G 3.9922 7.0597 105.5963 45.5975 0.0000 172.0847 28 K 4.4805 8.6377 118.1670 54.7920 33.5474 175.7576 29 A 4.7354 7.9816 124.5653 50.6368 22.5807 175.9479 30 T 3.9906 8.2436 107.6749 62.8753 69.3537 173.9134 31 E 4.3635 7.8171 121.0307 54.7911 32.3088 175.6762 32 V 4.2500 7.9484 125.7663 59.9529 32.0109 172.8680 33 R 4.4458 8.7065 124.0595 56.3823 31.3026 175.3728 34 V 5.4835 8.8675 119.4392 59.4054 35.4465 174.8738 35 T 5.1098 8.2836 117.8233 62.1302 73.2165 172.7870 36 V 5.6696 8.9345 125.1737 60.4840 34.1438 174.3645 37 L 4.8966 8.7676 126.5942 52.9821 45.8976 175.2478 38 R 5.2167 8.2056 119.6724 53.7729 32.3557 174.9304 39 Q 4.6767 8.4511 125.1092 54.6817 29.7371 174.4658 40 A 4.7949 8.2891 127.3838 50.0912 22.5924 176.8545 41 D 4.5519 8.8018 119.7233 57.7682 41.2249 178.8574 42 S 4.1949 8.1355 113.5279 61.1579 63.0745 173.6626 43 Q 4.4654 7.2681 119.0270 55.3787 32.2043 171.9965 44 V 4.7417 8.1976 120.3027 61.1768 33.9860 174.4456 45 T 4.8209 8.2895 115.7053 59.7333 72.4840 172.9955 46 E 4.0903 8.7059 121.4493 57.1832 30.1771 175.1405 47 V 4.3404 8.5288 118.0510 62.3572 33.0681 174.4158 48 C 5.3716 8.3960 114.7846 55.5907 44.0904 172.8753 49 A 5.2656 8.5027 121.0782 51.3372 21.8041 175.2321 50 A 4.2320 8.4683 120.7500 51.5755 23.5304 175.4035 51 T 4.5246 8.1946 116.2878 62.3234 69.6045 175.2149 52 Y 4.4887 8.9498 129.6861 57.7547 38.5723 173.5069 53 M 5.0346 8.2993 124.7781 53.5597 33.1983 177.8221 54 M 4.1615 8.6150 123.5043 57.8402 32.3109 177.3939 55 G 4.0480 7.9146 105.2772 44.8391 0.0000 171.8355 56 N 4.8910 8.0561 117.5506 52.4739 42.2561 172.9162 57 E 4.7794 8.2431 118.1813 54.0380 31.9668 176.2073 58 L 3.9136 8.3084 121.2969 54.8213 42.2686 176.8112 59 T 4.3418 7.8292 112.8772 60.2110 69.9260 174.8275 60 F 4.8861 8.2848 127.3964 56.6371 39.9561 177.8953 61 L 3.9669 8.1830 124.3748 57.9681 42.2164 176.7522 62 D 4.5906 8.0465 117.9671 54.6919 41.7643 175.9827 63 D 4.5612 8.8935 124.6851 54.9405 39.8638 175.4550 64 S 4.7747 8.1962 114.2873 59.3140 62.0476 176.1047 *67 I 4.0506 8.8861 113.9372 60.1806 38.7434 173.4178 68 C 4.7847 7.3756 112.2393 54.8631 42.0864 172.9826 69 T 4.3509 8.1885 113.8779 60.2831 70.3638 172.8356 70 G 4.3759 8.1937 113.2927 45.0449 0.0000 171.3346 71 T 4.9538 9.5581 117.9319 61.6231 73.3305 172.9817 72 S 4.7520 8.2452 116.7630 56.7574 65.3968 173.3842 73 S 4.6400 8.7869 121.0769 57.7770 66.9131 173.6378 74 G 4.0795 8.4719 112.7389 47.4070 0.0000 173.5219 75 N 4.5703 8.7933 121.3949 52.3411 38.7379 172.9893 76 Q 5.0264 8.4623 119.0177 54.2140 31.8905 174.8173 77 V 4.4009 8.3553 118.0245 59.8085 33.8285 174.3965 78 N 5.0703 9.3154 125.0233 51.8862 40.9566 173.0882 79 L 4.7917 8.0432 126.6062 53.0708 44.6124 175.6191 80 T 4.9169 8.6841 120.1641 61.6478 71.9959 172.9335 81 I 4.6522 9.1013 127.4858 59.4513 40.1939 174.5176 82 Q 4.8349 8.7095 125.1940 54.6402 31.3466 176.1669 83 G 4.1434 8.3919 116.6483 46.1686 0.0000 174.7121 84 L 4.5121 7.6570 118.7673 53.3510 42.2616 178.1187 85 R 4.3755 9.2584 124.6771 54.7937 32.7635 177.0577 86 A 4.0273 8.4220 120.4541 56.1646 18.3501 179.4405 87 M 4.1848 7.9388 115.4589 58.6031 32.1900 178.1930 88 D 4.5325 8.1161 117.7359 56.5354 41.4267 177.4910 89 T 4.1113 7.2741 114.9126 63.6376 69.9471 174.7034 90 G 4.0689 7.5192 112.7647 46.4653 0.0000 171.1151 91 L 5.0127 7.6137 124.3408 53.4845 44.9375 175.4204 92 Y 5.0579 8.9292 123.0697 56.2998 41.5252 174.4187 93 I 4.6986 8.7131 125.8469 59.9066 39.1935 172.4707 94 C 5.0467 8.9512 122.8444 54.9039 40.7978 172.7376 95 K 5.0758 8.9908 123.0719 54.5557 35.3499 175.9687 96 V 4.3542 8.1515 121.1138 61.5983 34.1067 174.3144 97 E 4.7616 9.7285 128.9315 54.3293 33.1171 176.5881 98 L 4.5058 8.7016 126.7177 54.5903 39.9323 177.2113 99 M 3.0714 7.6689 121.0673 57.9880 33.0643 177.1731 100 Y 4.0530 8.0714 115.5222 60.1382 38.5359 174.7048 101 P 4.5865 0.0000 0.0000 61.4779 32.4822 173.3207 102 P 5.0852 0.0000 0.0000 61.4206 33.1434 174.3895 103 P 4.7376 0.0000 0.0000 62.6107 30.5657 173.2350 104 Y 4.1494 8.3642 117.7556 58.2443 38.7002 169.8698 105 Y 4.0209 8.4568 126.5875 57.3149 41.0406 172.4699 106 L 3.9060 7.3482 135.0000 54.3986 44.9851 174.0242 *108 G 4.1768 8.4679 104.0751 47.0063 0.0000 171.1115 109 I 4.8219 8.2137 119.5285 59.0875 40.5915 175.7478 110 G 3.9493 9.1850 112.3599 45.7363 0.0000 174.0826 111 N 4.4828 8.9993 121.2145 56.0133 38.9342 174.6526 112 G 3.9887 7.1913 102.5441 43.6828 0.0000 172.8690 113 T 4.6426 8.8742 120.3337 61.2998 71.2806 173.4574 114 Q 4.4874 8.7378 128.4075 55.8643 30.6362 174.4135 115 I 4.5398 9.1159 127.7591 60.2129 39.0012 174.3316 116 Y 5.2689 9.4472 126.2717 56.7113 40.2496 175.0078 117 V 4.8782 8.3523 120.8241 61.3962 35.5205 174.2562 118 I 4.3647 8.3242 123.7536 59.3871 39.1976 175.1253 119 D 4.6961 8.4341 124.4784 51.7041 41.1683 174.2689 120 P 4.5163 0.0000 0.0000 62.6251 31.9241 175.6319 121 E 4.7430 8.3281 118.7084 53.8828 32.8337 175.2053 122 P 4.1099 0.0000 0.0000 64.4986 31.1999 175.8797 123 C 4.9028 7.3333 117.1469 57.0049 30.6366 173.1423 124 P 4.4187 0.0000 0.0000 64.9480 31.2078 175.7508 125 D 4.8361 7.3814 117.6390 51.9020 42.4061 175.0100 126 S 4.6442 8.4089 112.3993 58.1086 63.3655 174.5645 127 D 4.4618 8.1629 122.2128 56.9244 41.1478 176.3478 128 Q 4.5849 7.4349 115.2211 54.8870 32.5471 174.4191 129 E 3.7970 8.8193 118.0110 56.8451 27.0661 173.5313 130 P 4.4596 0.0000 0.0000 62.9994 32.6581 176.4954 131 K 4.0321 8.2537 119.8764 57.2098 31.9064 175.0976 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 1A A 8.12 4.22 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 1 M 8.55 3.07 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 H 7.84 5.10 0.00 3.15 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.80 4.46 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 0.85 0.00 0.00 1.04 0.00 0.00 4 A 8.44 4.85 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 5 Q 8.45 5.01 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 6 P 0.00 4.36 0.00 2.37 2.17 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 7 A 8.58 3.99 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 8 V 7.05 4.66 1.82 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 0.53 0.00 0.00 -0.31 0.00 0.00 9 V 8.52 4.37 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 0.97 0.00 0.00 0.65 0.00 0.00 10 L 8.70 4.96 0.00 1.61 1.64 1.13 0.83 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 11 A 8.78 4.99 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 12 S 8.21 4.45 0.00 3.90 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 13 S 8.60 4.14 0.00 3.86 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 14 R 7.91 3.92 0.00 1.76 1.96 0.00 3.20 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 15 G 7.92 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 0.00 0.00 0.00 0.00 16 I 7.95 4.74 1.86 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 1.26 0.66 0.89 0.00 0.00 17 A 9.07 4.89 1.20 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 0.00 0.00 0.00 18 S 8.68 5.22 0.00 3.69 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 19 F 8.26 4.99 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.39 5.15 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 0.79 0.00 0.00 0.90 0.00 0.00 21 C 8.84 5.11 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.02 4.85 0.00 2.19 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 2.59 2.28 0.00 23 Y 8.34 5.19 0.00 3.06 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 24 A 8.86 4.82 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 25 S 8.54 4.91 0.00 4.13 4.33 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 26 P 0.00 4.21 0.00 2.21 2.23 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 27 G 7.06 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 28 K 8.64 4.48 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.43 7.81 29 A 7.98 4.74 1.17 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 0.00 0.00 0.00 30 T 8.24 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 31 E 7.82 4.36 0.00 1.84 1.91 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 2.03 2.13 0.00 32 V 7.95 4.25 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 0.73 0.00 0.00 0.66 0.00 0.00 33 R 8.71 4.45 0.00 1.99 1.90 0.00 2.92 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 34 V 8.87 5.48 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 0.88 0.00 0.00 1.04 0.00 0.00 35 T 8.28 5.11 4.29 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 1.30 0.00 0.00 36 V 8.93 5.67 2.22 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 1.37 0.00 0.00 1.03 0.00 0.00 37 L 8.77 4.90 0.00 1.61 1.50 0.94 1.00 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 38 R 8.21 5.22 0.00 1.60 1.55 0.00 2.99 0.00 0.00 3.36 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 39 Q 8.45 4.68 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 40 A 8.29 4.79 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 41 D 8.80 4.55 0.00 2.67 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 42 S 8.14 4.19 0.00 3.85 3.91 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 43 Q 7.27 4.47 0.00 2.21 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 44 V 8.20 4.74 2.06 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 0.98 0.00 0.00 0.90 0.00 0.00 45 T 8.29 4.82 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 1.20 0.00 0.00 46 E 8.71 4.09 0.00 1.90 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 2.33 2.31 0.00 47 V 8.53 4.34 2.45 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 0.88 0.00 0.00 1.01 0.00 0.00 48 C 8.40 5.37 0.00 3.00 3.17 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 0.00 49 A 8.50 5.27 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.47 4.23 0.58 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 51 T 8.19 4.52 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 1.07 0.00 0.00 52 Y 8.95 4.49 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 8.30 5.03 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 54 M 8.62 4.16 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 55 G 7.91 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 56 N 8.06 4.89 0.00 2.60 2.66 0.00 0.00 6.88 7.11 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 57 E 8.24 4.78 0.00 1.97 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 0.00 2.23 2.25 0.00 58 L 8.31 3.91 0.00 1.68 0.89 1.03 0.87 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 59 T 7.83 4.34 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 60 F 8.28 4.89 0.00 3.16 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.18 3.97 0.00 1.59 1.71 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.05 4.59 0.00 2.74 2.62 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 63 D 8.89 4.56 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.20 4.77 0.00 4.03 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 I 8.89 4.05 2.00 0.00 0.00 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 1.48 0.57 0.92 0.00 0.00 68 C 7.38 4.78 0.00 2.67 2.88 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 69 T 8.19 4.35 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 1.15 0.00 0.00 70 G 8.19 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 0.00 0.00 0.00 0.00 71 T 9.56 4.95 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 1.15 0.00 0.00 72 S 8.25 4.75 0.00 3.29 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 73 S 8.79 4.64 0.00 3.96 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 74 G 8.47 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.79 4.57 0.00 2.56 2.45 0.00 0.00 6.53 7.63 0.00 0.00 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 8.46 5.03 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 77 V 8.36 4.40 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 0.93 0.00 0.00 1.02 0.00 0.00 78 N 9.32 5.07 0.00 2.61 2.55 0.00 0.00 6.65 6.16 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 79 L 8.04 4.79 0.00 0.51 1.05 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.68 4.92 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 81 I 9.10 4.65 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 0.92 0.47 0.75 0.00 0.00 82 Q 8.71 4.83 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 83 G 8.39 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 0.00 0.00 0.00 0.00 84 L 7.66 4.51 0.00 1.67 1.70 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.26 4.38 0.00 1.93 1.90 0.00 3.14 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 86 A 8.42 4.03 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 87 M 7.94 4.18 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 88 D 8.12 4.53 0.00 2.90 2.85 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 89 T 7.27 4.11 4.44 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 1.42 0.00 0.00 90 G 7.52 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 91 L 7.61 5.01 0.00 1.71 1.38 0.86 0.85 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 92 Y 8.93 5.06 0.00 2.83 3.01 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 93 I 8.71 4.70 1.92 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 1.29 0.87 1.00 0.00 0.00 94 C 8.95 5.05 0.00 3.15 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 95 K 8.99 5.08 0.00 1.95 2.05 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.41 1.46 7.81 96 V 8.15 4.35 2.25 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 0.28 0.00 0.00 0.99 0.00 0.00 97 E 9.73 4.76 0.00 1.76 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 98 L 8.70 4.51 0.00 1.99 1.75 0.98 0.94 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 99 M 7.67 3.07 0.00 1.46 1.44 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 100 Y 8.07 4.05 0.00 2.97 3.01 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 0.00 101 P 0.00 4.59 0.00 2.28 2.22 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 102 P 0.00 5.09 0.00 2.23 2.12 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 103 P 0.00 4.74 0.00 2.20 2.13 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 104 Y 8.36 4.15 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.46 4.02 0.00 2.89 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 0.00 106 L 7.35 3.91 0.00 1.79 1.64 1.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *108 G 8.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.21 4.82 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.95 0.00 0.00 110 G 9.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 9.00 4.48 0.00 2.72 2.89 0.00 0.00 7.09 7.65 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 0.00 112 G 7.19 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 0.00 113 T 8.87 4.64 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 0.70 0.00 0.00 114 Q 8.74 4.49 0.00 1.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 115 I 9.12 4.54 2.09 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 1.37 0.72 0.92 0.00 0.00 116 Y 9.45 5.27 0.00 2.90 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 0.00 117 V 8.35 4.88 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 0.86 0.00 0.00 1.00 0.00 0.00 118 I 8.32 4.36 1.88 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 1.31 0.64 0.91 0.00 0.00 119 D 8.43 4.70 0.00 2.62 2.59 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 0.00 120 P 0.00 4.52 0.00 2.22 2.04 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 121 E 8.33 4.74 0.00 1.99 1.82 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 2.28 2.43 0.00 122 P 0.00 4.11 0.00 2.17 2.17 0.00 3.72 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 1.98 1.98 0.00 123 C 7.33 4.90 0.00 2.97 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 0.00 124 P 0.00 4.42 0.00 2.17 2.18 0.00 3.71 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 1.98 1.95 0.00 125 D 7.38 4.84 0.00 2.93 2.62 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 0.00 126 S 8.41 4.64 0.00 3.98 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 0.00 127 D 8.16 4.46 0.00 2.65 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 0.00 128 Q 7.43 4.58 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 129 E 8.82 3.80 0.00 2.07 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 0.00 2.22 2.27 0.00 130 P 0.00 4.46 0.00 2.17 2.22 0.00 3.80 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 131 K 8.25 4.03 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.