NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2902 8.1593 117.3740 63.4439 69.5869 173.6658 2 S 4.3108 8.4443 121.5132 56.2551 64.6957 173.3003 3 K 3.9983 8.8642 121.3880 59.7089 32.9265 179.5004 4 K 3.8075 8.1547 119.2990 59.6974 31.7031 178.1759 5 K 3.9685 7.6128 118.1023 59.4317 31.0708 178.1335 6 R 4.2801 7.8639 115.8451 56.7402 30.0162 178.1410 7 Q 3.8305 7.9472 118.9287 57.7738 28.9984 176.2066 8 R 4.0955 7.1474 118.1439 58.1729 29.8950 176.6518 9 G 4.1113 9.0113 111.6497 45.4256 0.0000 174.2998 10 S 4.1020 7.7334 113.5274 59.0036 63.1394 173.8592 11 R 4.1422 7.8355 123.9127 57.2411 29.3375 176.6714 12 T 4.1733 7.5687 105.8644 62.0087 69.6832 174.3469 13 H 4.4191 8.3384 117.9153 55.8245 26.6076 175.8843 14 G 3.9594 8.4023 106.2933 45.6340 0.0000 175.6749 15 G 3.8690 8.2159 107.7116 45.9871 0.0000 174.8755 16 G 3.9626 7.3984 110.9977 46.0264 0.0000 177.6301 17 S 4.4120 8.6235 118.4363 57.5644 62.8043 173.7213 18 H 4.5048 8.7074 119.5757 57.0630 28.6656 175.9871 19 K 4.1077 7.5448 118.6409 56.6721 31.6336 177.3281 20 N 4.3521 7.0814 117.2272 55.3096 39.2302 176.4197 21 R 4.3641 7.4701 121.3270 56.9916 29.4448 176.9800 22 R 4.5073 7.4427 121.1375 56.2174 30.4658 180.5930 23 G 4.0341 8.6781 124.3336 46.1772 0.0000 174.4126 24 A 4.2185 8.6600 120.6225 54.6048 18.4879 179.9411 25 G 3.5903 8.0750 104.4921 48.1915 0.0000 175.2642 26 H 4.3124 7.8614 118.6205 58.4820 29.9419 176.6519 27 R 4.3224 7.9046 117.2699 55.6992 30.6913 177.2298 28 G 3.9069 7.2229 107.1068 44.8778 0.0000 172.7720 29 G 4.3728 6.9521 105.5076 42.9788 0.0000 173.4082 30 R 4.1068 8.3106 120.7926 56.5256 31.5756 176.5875 31 G 3.7365 8.3499 111.8371 47.4238 0.0000 173.6295 32 D 4.6936 8.6472 123.9710 54.1209 40.5871 175.7030 33 A 3.9039 7.5031 122.3936 53.8333 18.9558 178.2485 34 G 3.9504 8.9286 107.4936 46.3331 0.0000 175.6964 35 R 3.9303 7.5977 116.7438 57.5588 29.2679 177.1234 36 D 4.9973 7.8494 115.2293 52.4981 41.7573 175.7306 37 K 4.2086 8.1247 119.0295 57.5816 32.0853 176.6121 38 H 4.5464 9.1587 124.6158 57.8074 28.7824 176.2114 39 E 4.6048 7.4762 120.7859 55.8089 30.2952 177.5078 40 F 5.0503 7.7125 114.1815 58.5752 38.6250 175.3112 41 H 3.9196 6.3032 117.1297 57.2415 29.0255 175.1282 42 N 4.2638 8.9764 122.5546 54.5177 35.5757 174.3033 43 H 4.8723 7.8264 112.5108 53.7178 33.1880 174.1484 44 E 4.0897 8.8196 123.5910 55.5823 29.8675 174.9949 45 P 4.4822 0.0000 0.0000 62.7219 32.0065 175.4189 46 L 4.3469 8.2316 118.3905 54.4260 42.6138 176.0478 47 G 4.1944 8.4482 107.9698 43.6201 0.0000 173.8279 48 K 4.3891 8.2380 120.6018 55.7300 33.3352 176.6900 49 S 4.4183 8.3440 114.1547 58.2142 65.3614 175.5717 50 G 4.0233 9.2860 117.3392 45.0054 0.0000 171.6990 51 F 5.0234 8.3274 112.3123 55.4296 40.9863 173.3562 52 K 4.3397 8.3643 119.3898 54.4694 35.0138 176.5480 53 R 4.4843 8.1224 121.5145 54.1806 31.4334 174.7276 54 P 4.2755 0.0000 0.0000 63.3849 31.9477 176.7417 55 Q 3.8973 9.0204 122.3827 59.2546 28.6692 179.4094 56 K 4.2689 8.0244 112.3761 57.9085 32.5931 177.1283 57 V 4.2808 8.0102 118.4660 62.8027 31.7179 174.7262 58 Q 4.6370 7.7158 116.6533 54.2439 30.3237 174.7134 59 E 4.9535 8.5366 120.3851 53.7443 31.7188 174.9745 60 E 4.4663 8.6955 124.0668 54.3515 31.6845 174.2958 61 A 4.2195 8.1876 128.7040 50.6859 20.5332 176.2867 62 A 4.3683 8.7593 124.1420 51.2135 19.6830 177.2147 63 T 4.9483 8.1882 112.3910 60.9987 71.1810 174.3424 64 I 4.1923 7.7111 118.9945 60.5832 41.6143 172.9902 65 D 5.6520 8.4826 128.7743 52.8748 42.0852 177.6939 66 V 3.7573 8.5618 116.3449 64.8366 31.5839 178.6773 67 R 3.8635 7.8665 118.0079 59.4786 29.5306 178.0708 68 E 3.8783 8.3199 118.5619 59.4611 29.9561 178.2673 69 I 3.7216 7.7835 119.1083 64.7311 36.9997 177.3871 70 D 4.2633 8.1741 118.1083 57.8370 41.1547 178.4801 71 E 4.1472 7.9832 117.0023 57.8969 30.7612 177.0234 72 N 4.9567 7.8693 115.2954 51.6195 38.9790 173.7111 73 V 3.7656 7.2020 115.6221 63.2284 33.3375 179.2505 74 T 3.7564 7.3843 108.2524 64.4789 68.7646 175.5531 75 L 4.0757 7.7476 120.3739 56.4871 42.1422 177.5372 76 L 4.4693 7.0641 120.1467 52.6569 40.3802 175.7405 77 A 4.1023 8.0618 124.3954 55.1726 19.1861 179.3118 78 A 4.4460 7.6841 117.1489 51.6003 18.5586 178.1075 79 D 4.4258 8.1045 120.9109 55.2589 44.8177 176.3878 80 D 4.1418 7.4295 122.1998 53.0542 39.8594 176.6824 81 V 4.5367 8.0004 123.6337 61.6214 31.7563 174.1098 82 A 4.1953 7.7514 123.1507 51.8154 19.0461 178.0211 83 E 3.6340 8.6936 115.9108 58.5853 29.9945 176.9448 *89 F 4.6121 7.7239 117.7135 57.7279 40.9503 173.7269 90 R 5.2382 8.7134 120.5167 54.7719 33.1057 174.8184 91 V 4.4914 9.0815 125.2969 60.2365 35.3822 173.8654 92 D 5.0103 8.7857 124.2438 52.8941 41.0976 176.3826 93 V 3.5642 8.6082 127.8350 66.0616 31.6595 178.5295 94 R 4.0136 8.2289 117.1637 58.6991 29.9498 176.7837 95 D 4.8154 8.2275 116.0042 53.8981 41.0643 176.8443 96 V 4.1664 7.8709 120.6360 63.6251 33.4048 176.5813 97 V 3.7474 7.5855 119.2382 62.4145 31.9344 175.0870 98 E 4.0958 8.6224 126.8529 57.1903 30.5608 176.1556 99 E 3.6468 8.6610 121.1517 57.3300 26.2462 173.4862 100 A 4.5640 7.4451 123.1168 53.1086 21.7982 179.0241 101 D 4.3679 8.2188 114.7337 56.3878 39.4659 176.7101 102 D 4.7564 7.9191 117.1359 52.9568 39.9310 175.5678 103 A 4.6983 7.3906 121.3461 50.9197 22.2548 176.5432 104 D 4.7377 8.4155 122.1235 57.5518 42.0435 176.2487 105 Y 4.9613 7.0533 113.3565 56.5013 41.5997 172.7327 106 V 4.8012 9.3894 119.9942 60.9853 33.9035 173.9762 107 K 4.8445 8.9500 129.3127 54.5744 35.2528 174.7923 108 V 4.4319 8.4451 128.1231 61.5934 32.4906 174.9492 109 L 4.5585 9.2435 129.2662 53.4305 43.3696 177.4306 110 G 4.2763 8.1881 107.6650 45.3258 0.0000 173.2008 111 A 4.5654 7.9776 121.3513 51.9747 21.7201 179.7312 112 G 3.9660 8.8652 107.5132 44.6790 0.0000 172.2669 113 Q 4.6321 8.1238 117.2540 54.6010 31.3030 176.7868 114 V 4.6709 7.6198 110.9276 60.2289 32.1880 176.1115 115 R 4.2725 8.4766 119.7137 56.4201 29.8581 175.9459 116 H 4.8621 8.0421 115.1754 54.6433 32.8986 171.7922 117 E 4.8838 8.8624 118.2841 55.1934 30.8320 175.5318 118 L 5.0545 8.5355 123.8529 53.1611 46.0487 175.7984 119 T 5.1776 8.6499 120.1998 61.2148 69.7213 173.0642 120 L 5.1530 8.2088 126.0192 53.5917 44.5183 175.7586 121 I 5.7106 8.9643 121.7344 58.8690 40.4684 174.4141 122 A 4.7431 8.6258 127.0368 50.7052 22.0698 176.4563 123 D 4.3621 8.6495 119.0326 57.2393 41.6676 176.5462 124 D 4.7318 7.6758 116.1147 52.9447 45.0404 174.2886 125 F 5.4599 8.5894 121.8275 55.7616 43.3519 174.6012 126 S 4.5585 8.6795 116.2642 57.5870 64.6480 174.8959 127 E 4.0757 8.9970 121.4329 59.5251 29.3804 179.3948 128 G 3.5999 8.1018 105.1421 47.6689 0.0000 175.4233 129 A 4.1257 8.3066 123.1591 55.0855 18.3357 179.7586 130 R 3.8519 8.0055 116.4170 59.0884 30.1980 178.5921 131 E 3.9424 8.1854 118.0626 59.7358 29.4230 179.8467 132 K 3.9091 7.8412 116.5298 59.5421 32.4597 179.3232 133 V 3.7425 7.4903 118.2555 66.0920 31.5281 177.9349 134 E 4.8043 7.7439 119.8232 58.8773 29.1580 179.0480 135 G 3.8908 8.3956 102.4034 45.5679 0.0000 173.5279 136 A 4.6741 7.5494 123.4818 51.5642 19.4774 176.4134 137 G 3.8464 8.1443 105.4651 48.5094 0.0000 173.9628 138 G 4.4722 7.7980 105.8995 44.1008 0.0000 172.0988 139 S 5.0907 9.1514 113.0746 56.5392 66.9376 173.1874 140 V 4.4313 8.1764 119.8796 61.0037 34.1105 174.3619 141 E 4.6831 9.1045 126.9065 54.3420 32.6448 174.8490 142 L 4.8917 8.6335 127.0967 55.0454 42.8324 176.6270 143 T 4.3170 8.3458 122.9900 63.0718 69.6716 175.4508 144 D 4.3941 8.6749 121.9038 57.3822 41.5226 178.2538 145 L 4.0578 8.1076 121.0692 57.9985 42.2016 178.5986 146 G 3.8229 7.4551 104.0769 47.1725 0.0000 173.3201 147 E 4.4233 7.5813 120.2136 56.6320 28.9654 176.4905 148 E 4.7822 7.7469 112.4634 56.6779 31.3642 177.4542 149 R 4.4911 7.5596 117.0597 52.4813 29.8874 176.1758 150 Q 4.2806 7.8086 121.4822 56.7911 29.2172 173.1872 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 1 T 8.16 4.29 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 1.21 0.00 0.00 2 S 8.44 4.31 0.00 4.06 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 3 K 8.86 4.00 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.50 7.81 4 K 8.15 3.81 0.00 1.86 1.82 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.54 7.81 5 K 7.61 3.97 0.00 1.80 2.05 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.86 4.28 0.00 2.02 1.91 0.00 3.17 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 7 Q 7.95 3.83 0.00 2.07 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.99 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 8 R 7.15 4.10 0.00 1.92 1.90 0.00 3.31 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 9 G 9.01 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 10 S 7.73 4.10 0.00 4.00 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 11 R 7.84 4.14 0.00 1.98 2.07 0.00 3.21 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 12 T 7.57 4.17 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 1.31 0.00 0.00 13 H 8.34 4.42 0.00 3.23 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.40 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 15 G 8.22 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 0.00 0.00 0.00 16 G 7.40 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 17 S 8.62 4.41 0.00 3.88 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 18 H 8.71 4.50 0.00 3.31 3.38 0.00 5.57 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 19 K 7.54 4.11 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 20 N 7.08 4.35 0.00 2.74 2.47 0.00 0.00 6.94 7.79 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 21 R 7.47 4.36 0.00 1.76 1.90 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 22 R 7.44 4.51 0.00 1.75 0.98 0.00 3.23 0.00 0.00 3.19 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 23 G 8.68 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 0.00 0.00 0.00 24 A 8.66 4.22 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 25 G 8.07 3.59 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 0.00 26 H 7.86 4.31 0.00 3.23 3.50 0.00 5.94 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 27 R 7.90 4.32 0.00 1.90 1.94 0.00 3.27 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 1.54 1.68 0.00 28 G 7.22 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 0.00 0.00 0.00 29 G 6.95 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 30 R 8.31 4.11 0.00 1.86 1.88 0.00 3.45 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 31 G 8.35 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 32 D 8.65 4.69 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.50 3.90 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 34 G 8.93 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 35 R 7.60 3.93 0.00 1.91 2.34 0.00 2.77 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 36 D 7.85 5.00 0.00 2.74 2.75 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 37 K 8.12 4.21 0.00 1.84 1.72 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.53 7.81 38 H 9.16 4.55 0.00 3.27 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.48 4.60 0.00 1.97 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 2.23 2.11 0.00 40 F 7.71 5.05 0.00 3.03 3.15 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 41 H 6.30 3.92 0.00 2.98 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.98 4.26 0.00 2.88 2.88 0.00 0.00 6.90 8.16 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 43 H 7.83 4.87 0.00 3.29 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.82 4.09 0.00 1.97 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 2.33 2.31 0.00 45 P 0.00 4.48 0.00 2.17 2.08 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 46 L 8.23 4.35 0.00 1.65 1.63 0.91 0.93 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 47 G 8.45 4.19 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 0.00 48 K 8.24 4.39 0.00 1.78 1.77 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 S 8.34 4.42 0.00 3.79 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 50 G 9.29 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 51 F 8.33 5.02 0.00 3.12 2.93 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 52 K 8.36 4.34 0.00 1.70 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.35 7.81 53 R 8.12 4.48 0.00 1.77 1.89 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 54 P 0.00 4.28 0.00 2.23 2.23 0.00 3.80 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 2.11 2.04 0.00 55 Q 9.02 3.90 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 56 K 8.02 4.27 0.00 1.86 1.92 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 V 8.01 4.28 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.72 4.64 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.37 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 59 E 8.54 4.95 0.00 1.97 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 2.26 0.00 60 E 8.70 4.47 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 61 A 8.19 4.22 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.76 4.37 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 63 T 8.19 4.95 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 1.17 0.00 0.00 64 I 7.71 4.19 1.85 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 1.34 1.22 0.95 0.00 0.00 65 D 8.48 5.65 0.00 2.75 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 66 V 8.56 3.76 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 0.92 0.00 0.00 1.01 0.00 0.00 67 R 7.87 3.86 0.00 1.97 1.99 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 68 E 8.32 3.88 0.00 1.95 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 0.00 2.31 2.33 0.00 69 I 7.78 3.72 2.01 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 1.53 0.45 0.90 0.00 0.00 70 D 8.17 4.26 0.00 2.73 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 71 E 7.98 4.15 0.00 2.20 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 2.34 2.60 0.00 72 N 7.87 4.96 0.00 2.59 2.66 0.00 0.00 6.93 7.98 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 73 V 7.20 3.77 0.95 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 0.59 0.00 0.00 0.44 0.00 0.00 74 T 7.38 3.76 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 75 L 7.75 4.08 0.00 1.60 1.74 0.94 0.90 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 76 L 7.06 4.47 0.00 1.69 1.74 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.06 4.10 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 78 A 7.68 4.45 1.28 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 0.00 0.00 79 D 8.10 4.43 0.00 2.83 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 80 D 7.43 4.14 0.00 3.14 2.80 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 81 V 8.00 4.54 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 0.47 0.00 0.00 1.12 0.00 0.00 82 A 7.75 4.20 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 83 E 8.69 3.63 0.00 2.03 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 2.27 2.41 0.00 *89 F 7.72 4.61 0.00 3.12 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 90 R 8.71 5.24 0.00 1.84 1.79 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 91 V 9.08 4.49 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 0.71 0.00 0.00 0.95 0.00 0.00 92 D 8.79 5.01 0.00 2.86 2.75 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 93 V 8.61 3.56 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 0.92 0.00 0.00 1.00 0.00 0.00 94 R 8.23 4.01 0.00 1.97 2.00 0.00 3.25 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 95 D 8.23 4.82 0.00 2.76 2.68 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 96 V 7.87 4.17 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.59 3.75 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 0.82 0.00 0.00 0.98 0.00 0.00 98 E 8.62 4.10 0.00 1.98 1.84 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 2.30 2.31 0.00 99 E 8.66 3.65 0.00 2.09 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 0.00 2.19 2.27 0.00 100 A 7.45 4.56 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 0.00 101 D 8.22 4.37 0.00 2.79 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 0.00 102 D 7.92 4.76 0.00 2.78 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 0.00 103 A 7.39 4.70 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 0.00 104 D 8.42 4.74 0.00 2.62 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 0.00 105 Y 7.05 4.96 0.00 3.12 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 0.00 106 V 9.39 4.80 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 0.91 0.00 0.00 0.93 0.00 0.00 107 K 8.95 4.84 0.00 2.06 1.65 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 108 V 8.45 4.43 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 1.07 0.00 0.00 0.66 0.00 0.00 109 L 9.24 4.56 0.00 1.81 1.57 0.92 0.93 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 0.00 110 G 8.19 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 0.00 0.00 0.00 0.00 111 A 7.98 4.57 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 0.00 112 G 8.87 3.97 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 0.00 0.00 0.00 113 Q 8.12 4.63 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 114 V 7.62 4.67 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 1.00 0.00 0.00 1.01 0.00 0.00 115 R 8.48 4.27 0.00 1.97 1.91 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 116 H 8.04 4.86 0.00 3.31 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.86 4.88 0.00 2.15 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 2.24 2.44 0.00 118 L 8.54 5.05 0.00 1.62 1.61 1.00 0.78 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 0.00 119 T 8.65 5.18 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 1.22 0.00 0.00 120 L 8.21 5.15 0.00 1.81 1.83 1.14 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.96 5.71 1.94 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 1.19 0.75 1.03 0.00 0.00 122 A 8.63 4.74 0.77 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 0.00 123 D 8.65 4.36 0.00 2.75 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 0.00 124 D 7.68 4.73 0.00 2.51 2.39 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 0.00 125 F 8.59 5.46 0.00 2.88 2.87 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 0.00 126 S 8.68 4.56 0.00 3.95 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 0.00 127 E 9.00 4.08 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 2.39 2.39 0.00 128 G 8.10 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 0.00 129 A 8.31 4.13 1.52 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 0.00 0.00 130 R 8.01 3.85 0.00 2.09 1.91 0.00 3.17 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 131 E 8.19 3.94 0.00 2.04 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 2.34 2.56 0.00 132 K 7.84 3.91 0.00 1.81 1.90 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.68 7.81 133 V 7.49 3.74 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 1.08 0.00 0.00 1.04 0.00 0.00 134 E 7.74 4.80 0.00 2.03 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 2.41 2.12 0.00 135 G 8.40 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 0.00 136 A 7.55 4.67 1.46 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 0.00 137 G 8.14 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 0.00 138 G 7.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.15 5.09 0.00 3.76 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 0.00 140 V 8.18 4.43 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.59 0.00 0.00 0.49 0.00 0.00 141 E 9.10 4.68 0.00 2.07 1.84 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 2.20 2.19 0.00 142 L 8.63 4.89 0.00 1.72 1.61 1.21 1.11 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 0.00 143 T 8.35 4.32 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 1.23 0.00 0.00 144 D 8.67 4.39 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 0.00 145 L 8.11 4.06 0.00 1.68 1.78 1.06 1.06 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 0.00 146 G 7.46 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 0.00 0.00 0.00 147 E 7.58 4.42 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 2.34 2.51 0.00 148 E 7.75 4.78 0.00 1.81 1.83 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 2.18 2.41 0.00 149 R 7.56 4.49 0.00 1.75 1.84 0.00 3.29 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 150 Q 7.81 4.28 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.