NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2434 8.2033 118.9184 55.9786 30.7212 173.5917 3 F 5.2661 8.6552 118.7687 55.0289 41.7904 173.5080 4 S 4.7621 8.8819 119.0470 56.8827 66.3401 174.3712 5 T 4.5611 8.8130 115.1363 62.5118 69.4917 175.0798 6 T 4.3219 7.7970 113.9962 60.4551 69.7438 174.0380 7 P 4.3825 0.0000 0.0000 64.9068 31.8602 175.8046 8 T 4.7022 7.6473 107.0432 59.6211 72.1186 172.7987 9 L 4.6423 8.0579 120.4927 52.5020 43.5685 176.3323 10 E 4.1757 8.7042 124.1749 57.9165 29.9758 177.6757 11 G 3.9987 9.3771 111.9036 44.9294 0.0000 172.5586 12 L 5.2719 7.4507 117.7022 53.0361 45.3538 175.5638 13 T 4.6999 8.4096 115.7838 61.7616 72.0581 173.7187 14 I 4.1974 8.4218 126.9278 61.4856 37.2044 176.1504 15 V 4.2733 8.6709 120.2733 61.7137 33.3186 175.7582 16 E 4.7296 7.7103 120.3397 54.9827 33.2654 173.0332 17 Y 4.7157 8.7345 123.5512 56.4987 39.4346 175.0882 18 C 4.6571 9.3982 122.0868 59.4598 29.4406 174.6728 19 G 3.9363 8.4472 105.5597 44.5671 0.0000 172.8583 20 V 4.3544 7.9408 118.9388 62.5373 32.1911 175.5304 21 V 4.6891 8.8835 120.6067 60.1148 35.5599 174.6017 22 T 5.1053 8.2616 117.0610 62.4269 72.6312 173.5672 23 G 4.3271 8.8740 110.9018 45.0933 0.0000 171.0098 24 E 5.2640 8.7717 116.9600 55.7200 32.6873 174.3478 25 A 4.7691 8.6594 121.1096 50.6947 22.7411 175.6767 26 I 4.7104 8.2007 119.7999 59.4525 40.1905 175.1362 27 L 4.4266 9.2004 128.1308 53.6550 42.5680 177.5001 28 G 3.8019 8.7884 112.4855 44.7548 0.0000 173.8932 29 A 4.4983 9.0244 123.6635 54.4926 18.1186 179.8909 30 N 4.3289 8.2321 114.8028 56.4156 37.3297 177.4173 31 I 4.1139 7.9483 121.9989 63.9718 37.1243 178.1426 32 F 4.0200 8.3419 121.1130 61.4654 39.0854 177.2765 33 R 4.0100 8.3491 116.7885 59.4023 29.9201 178.5167 34 D 4.2446 8.0124 117.8279 56.3184 40.8917 177.8209 35 F 4.8361 8.2452 115.1754 57.0199 41.0846 176.6261 36 F 4.2970 7.9470 115.9873 58.5872 40.0578 177.3712 37 A 3.9263 7.9457 120.8287 55.1242 18.2497 178.3619 38 G 3.9105 7.8476 101.5628 45.6064 0.0000 173.6637 39 I 3.7311 7.3475 121.7690 61.1918 37.4225 175.4682 40 R 4.5591 8.3818 125.1421 55.4992 32.5724 177.1697 41 D 4.1178 8.4266 122.3303 55.4575 39.2622 173.0783 42 I 4.3859 8.3210 124.5086 60.4669 38.8999 174.9468 43 V 4.3221 8.3891 124.7610 60.9364 33.7046 175.2564 44 G 4.0788 8.4975 115.9499 43.7882 0.0000 174.3618 45 G 3.6214 8.7177 107.7942 47.8902 0.0000 175.0162 46 R 4.0051 8.1656 117.8746 59.1598 30.1032 178.3363 47 S 4.2191 7.9888 111.6504 60.7215 63.4622 175.2133 48 G 3.7585 7.4710 108.7939 44.1621 0.0000 174.6668 49 A 3.9715 8.4187 124.4526 54.7294 18.9599 179.4475 50 Y 3.8221 7.6343 114.6555 59.7734 37.9700 177.6452 51 E 3.6224 6.6396 120.7385 58.8875 29.5900 178.6971 52 K 3.9637 7.6990 119.1526 59.1930 32.1755 178.6438 53 E 3.8652 7.8173 118.5067 59.2943 29.6089 178.7863 54 L 4.1764 7.9659 118.9511 58.0579 41.8105 179.5473 55 R 3.9239 8.2265 118.5758 59.4123 29.9887 178.3260 56 K 3.9224 8.1014 119.0829 59.4535 32.1744 178.6054 57 A 4.0313 8.2686 121.0275 55.1694 18.2554 179.7462 58 R 3.9244 8.6595 116.8800 59.5686 30.2462 178.7592 59 E 3.9721 8.7599 119.2981 59.5813 29.6674 179.0563 60 I 3.7539 8.0398 119.4924 64.1349 37.2011 178.1857 61 A 3.9794 8.1174 121.6706 55.2611 18.2115 179.7471 62 F 3.7592 8.3800 116.4485 60.5936 38.8504 177.7251 63 E 4.1122 8.2611 118.2744 59.5108 29.2567 179.0992 64 E 3.9524 8.1559 118.9632 58.9261 29.6756 178.6411 65 L 4.1774 7.9941 120.6415 58.1018 42.1938 179.2304 66 G 3.8527 8.7904 106.0602 48.0700 0.0000 175.5007 67 S 4.1472 8.5139 116.4787 61.0679 62.0401 176.0519 68 Q 3.9464 8.2548 122.0531 59.1293 28.9367 178.1048 69 A 4.0771 8.1799 121.8640 54.9347 18.3476 179.4764 70 R 3.7803 8.6961 117.3625 59.7479 30.0065 178.5367 71 A 4.1061 7.9266 118.8818 54.8662 18.3480 178.5796 72 L 4.3847 7.3448 113.5763 54.3289 42.0481 177.7657 73 G 3.8413 8.2549 107.3996 45.5233 0.0000 174.1139 74 A 4.1842 7.6318 121.9058 52.0573 18.7941 177.5954 75 D 4.9829 8.4446 117.9865 53.0282 40.6029 175.5046 76 A 4.7408 7.6162 120.0952 50.6380 23.4942 175.1440 77 V 4.7765 8.4520 118.6809 61.3983 34.5207 175.2439 78 V 4.8205 8.6460 120.5922 59.0057 35.6283 175.4996 79 G 4.1916 8.7551 107.7339 46.7792 0.0000 174.1301 80 I 4.3351 7.8847 120.1189 60.9070 38.6248 175.2080 81 D 5.0610 9.2411 126.0007 52.4257 44.5174 174.2280 82 I 4.8387 8.4000 125.1509 59.5748 39.6696 174.5659 83 D 5.0090 8.8473 126.2652 52.5553 44.7270 174.3380 84 Y 4.9258 8.6445 118.8165 56.2030 40.3009 174.7330 85 E 4.7340 8.7270 124.3677 54.5821 32.8153 175.0099 86 T 4.1960 8.5571 123.3187 63.0563 69.4484 174.4127 87 V 4.3362 8.1624 118.1621 59.8173 35.4358 175.4921 88 G 3.9526 8.5658 106.6314 44.9693 0.0000 173.9046 89 Q 4.0826 8.4903 117.1845 58.8256 28.6102 178.1974 90 N 4.7656 8.0858 112.1574 52.5400 38.8291 174.7358 91 G 3.9472 7.8525 104.2683 46.8141 0.0000 174.7866 92 S 3.2919 7.3108 110.9861 56.0801 62.8458 172.0230 *94 L 4.3577 7.1888 123.6754 54.7598 44.6457 175.3538 *96 V 4.1632 8.0251 117.8620 62.7597 32.8195 174.5300 97 S 5.1813 8.7719 122.8895 56.3863 65.8193 173.3470 98 V 4.7484 8.6962 124.0570 59.9916 33.9770 174.8515 99 S 4.9287 8.6083 116.2374 57.6418 66.8774 173.6495 100 G 4.1220 8.3786 106.7878 46.4864 0.0000 171.1624 101 T 5.1681 8.4881 117.2360 61.3489 71.3418 174.0342 102 A 4.6898 8.9739 129.8719 52.2523 19.6089 176.6446 103 V 4.7592 8.7246 114.6637 59.6403 36.8389 174.3795 104 K 4.9985 8.6544 123.0446 55.5533 33.6656 176.0334 105 T 5.0683 8.7771 114.1265 59.8673 72.1267 173.3291 106 R 4.5730 8.7216 121.9898 54.1930 33.4686 174.2633 107 R 4.1626 8.8350 126.5181 57.1535 29.9886 176.2737 108 N 4.5214 9.0878 123.3095 55.2354 39.3359 175.4077 109 I 4.0427 7.6069 123.4249 61.2676 37.6381 175.2113 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 Q 8.20 4.24 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 3 F 8.66 5.27 0.00 3.07 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 4 S 8.88 4.76 0.00 3.83 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 5 T 8.81 4.56 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 1.34 0.00 0.00 6 T 7.80 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 1.24 0.00 0.00 7 P 0.00 4.38 0.00 2.25 2.26 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 8 T 7.65 4.70 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 1.27 0.00 0.00 9 L 8.06 4.64 0.00 1.66 1.59 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.70 4.18 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 11 G 9.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.45 5.27 0.00 1.59 1.70 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.41 4.70 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 1.22 0.00 0.00 14 I 8.42 4.20 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.34 -0.09 0.00 0.00 15 V 8.67 4.27 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 0.61 0.00 0.00 0.93 0.00 0.00 16 E 7.71 4.73 0.00 1.97 1.68 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 2.32 2.37 0.00 17 Y 8.73 4.72 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 9.40 4.66 0.00 2.79 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.45 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 0.00 0.00 0.00 20 V 7.94 4.35 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 0.84 0.00 0.00 0.95 0.00 0.00 21 V 8.88 4.69 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 0.72 0.00 0.00 1.04 0.00 0.00 22 T 8.26 5.11 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 1.21 0.00 0.00 23 G 8.87 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 0.00 0.00 0.00 24 E 8.77 5.26 0.00 2.06 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 2.13 2.32 0.00 25 A 8.66 4.77 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 26 I 8.20 4.71 1.87 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 1.33 0.70 0.90 0.00 0.00 27 L 9.20 4.43 0.00 1.47 1.66 1.00 1.20 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 28 G 8.79 3.80 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 0.00 0.00 0.00 29 A 9.02 4.50 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 30 N 8.23 4.33 0.00 2.97 3.14 0.00 0.00 6.28 7.83 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 31 I 7.95 4.11 2.20 0.00 0.00 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 1.56 1.32 1.28 0.00 0.00 32 F 8.34 4.02 0.00 3.14 3.21 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 33 R 8.35 4.01 0.00 1.97 2.00 0.00 3.25 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00 34 D 8.01 4.24 0.00 2.16 1.68 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 35 F 8.25 4.84 0.00 3.02 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 36 F 7.95 4.30 0.00 1.89 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 0.00 0.00 0.00 37 A 7.95 3.93 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 38 G 7.85 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 0.00 0.00 0.00 39 I 7.35 3.73 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.52 0.88 0.00 0.00 40 R 8.38 4.56 0.00 1.74 1.79 0.00 3.39 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 1.52 1.62 0.00 41 D 8.43 4.12 0.00 2.86 2.56 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 0.00 0.00 0.00 42 I 8.32 4.39 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.92 0.00 0.00 43 V 8.39 4.32 2.19 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 0.90 0.00 0.00 1.01 0.00 0.00 44 G 8.50 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 45 G 8.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.17 4.01 0.00 1.74 1.99 0.00 3.23 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 47 S 7.99 4.22 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.47 3.76 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 0.00 0.00 0.00 49 A 8.42 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.82 0.00 1.43 2.46 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 51 E 6.64 3.62 0.00 1.58 1.61 0.00 0.00 0.00 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 2.21 0.00 52 K 7.70 3.96 0.00 1.74 1.60 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.41 7.81 53 E 7.82 3.87 0.00 2.35 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 1.92 2.10 0.00 54 L 7.97 4.18 0.00 2.02 1.92 1.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.23 3.92 0.00 1.89 2.13 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 56 K 8.10 3.92 0.00 1.95 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 57 A 8.27 4.03 1.48 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 58 R 8.66 3.92 0.00 2.16 2.18 0.00 3.35 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 59 E 8.76 3.97 0.00 2.05 2.19 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 2.34 2.38 0.00 60 I 8.04 3.75 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 0.91 0.00 0.00 61 A 8.12 3.98 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 62 F 8.38 3.76 0.00 3.11 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 63 E 8.26 4.11 0.00 2.19 2.05 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 2.38 2.40 0.00 64 E 8.16 3.95 0.00 2.07 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 2.44 2.31 0.00 65 L 7.99 4.18 0.00 1.78 1.84 0.88 0.77 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 66 G 8.79 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 67 S 8.51 4.15 0.00 3.91 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 68 Q 8.25 3.95 0.00 2.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 69 A 8.18 4.08 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 3.78 0.00 2.10 1.95 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 71 A 7.93 4.11 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 72 L 7.34 4.38 0.00 1.68 1.72 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.25 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 0.00 0.00 0.00 74 A 7.63 4.18 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 75 D 8.44 4.98 0.00 2.60 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 76 A 7.62 4.74 1.12 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 77 V 8.45 4.78 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 1.13 0.00 0.00 1.01 0.00 0.00 78 V 8.65 4.82 2.28 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 0.69 0.00 0.00 1.03 0.00 0.00 79 G 8.76 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 80 I 7.88 4.34 2.13 0.00 0.00 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 1.24 1.29 1.01 0.00 0.00 81 D 9.24 5.06 0.00 2.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.84 1.82 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.59 0.00 0.00 83 D 8.85 5.01 0.00 2.44 2.47 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 84 Y 8.64 4.93 0.00 2.80 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 85 E 8.73 4.73 0.00 1.90 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 2.16 2.35 0.00 86 T 8.56 4.20 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 1.03 0.00 0.00 87 V 8.16 4.34 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 0.69 0.00 0.00 0.88 0.00 0.00 88 G 8.57 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 89 Q 8.49 4.08 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.43 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 90 N 8.09 4.77 0.00 2.63 2.77 0.00 0.00 7.04 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 91 G 7.85 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 92 S 7.31 3.29 0.00 3.68 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 *94 L 7.19 4.36 0.00 1.66 1.61 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *96 V 8.03 4.16 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 0.68 0.00 0.00 1.09 0.00 0.00 97 S 8.77 5.18 0.00 3.76 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 98 V 8.70 4.75 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 0.26 0.00 0.00 0.31 0.00 0.00 99 S 8.61 4.93 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.38 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 0.00 101 T 8.49 5.17 4.34 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 1.38 0.00 0.00 102 A 8.97 4.69 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 0.00 103 V 8.72 4.76 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 0.38 0.00 0.00 0.87 0.00 0.00 104 K 8.65 5.00 0.00 1.68 1.65 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 105 T 8.78 5.07 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 1.13 0.00 0.00 106 R 8.72 4.57 0.00 1.82 1.72 0.00 3.10 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 107 R 8.84 4.16 0.00 1.84 1.82 0.00 3.45 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 108 N 9.09 4.52 0.00 2.74 2.86 0.00 0.00 6.86 6.97 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 0.00 109 I 7.61 4.04 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.