NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3316 8.2493 123.5822 51.8158 19.7377 176.5496 3 D 4.4192 8.3243 122.8805 51.1062 40.4694 174.7386 4 P 4.4828 0.0000 0.0000 63.9518 32.3397 179.3619 5 K 3.9267 8.0279 120.4984 59.9575 32.1096 178.0247 6 E 3.9980 7.8370 117.7272 59.3826 29.2982 179.4295 7 L 4.0028 7.8319 118.4321 57.9220 41.8032 179.1394 8 Q 3.9668 8.1138 119.5038 59.2271 28.9567 178.0760 9 D 4.5568 8.5756 120.2043 57.4277 40.9365 178.8276 10 K 4.0099 8.1986 118.9570 59.3498 32.0366 179.0666 11 F 4.0920 8.4663 120.9708 61.2305 39.2696 177.1821 12 W 4.0317 8.0852 118.4930 59.4167 28.8574 178.4114 13 K 3.9027 8.2303 119.3086 59.5272 31.6226 178.6294 14 A 4.0381 7.9888 120.9394 55.1670 18.3464 179.3699 15 L 3.3867 7.7530 119.1808 57.9848 41.8110 179.1430 16 K 4.0010 8.0762 119.0674 59.0617 32.1443 178.6608 17 S 4.3251 7.8462 113.7900 61.3554 63.5295 175.7438 18 D 4.4797 8.3232 121.4256 54.2853 41.1365 178.0540 19 R 4.4539 8.5095 122.5248 57.3322 29.8570 176.8504 20 T 4.4843 7.9569 113.8888 63.6151 69.5378 173.5513 21 V 4.6830 8.2569 127.8689 61.7974 33.6181 173.8741 *23 L 4.1938 8.4283 117.9061 54.7866 42.8756 176.0177 24 G 4.3421 8.6309 112.0908 44.3713 0.0000 171.6134 25 L 5.0721 8.2477 125.0254 52.5517 44.2813 175.6204 26 D 4.2534 8.7176 124.3705 55.4222 41.6662 176.3131 27 G 3.9676 9.1383 113.9779 45.4772 0.0000 173.0841 28 V 4.3293 7.0890 119.2154 62.0324 34.5953 175.1293 29 E 3.5495 9.4362 124.0108 57.4707 26.8546 174.7715 30 D 4.1214 9.1628 114.3802 55.2108 38.3192 174.9367 31 G 3.8878 8.2265 105.3194 45.8722 0.0000 174.2334 32 H 4.2022 7.8892 116.9613 56.0520 29.2967 175.6195 33 A 4.6393 8.6713 125.6076 50.8330 18.4324 176.1754 34 R 4.3383 8.3813 118.4147 55.6870 30.6239 175.2928 35 P 5.1192 0.0000 0.0000 62.0740 33.0423 175.8699 *37 T 4.1661 8.2423 115.4039 63.3073 68.8924 173.9031 38 A 3.9642 8.9088 129.4942 51.6109 19.6303 176.5730 39 Q 4.7892 9.0034 119.9027 54.0189 32.6221 174.6385 40 I 5.0598 8.4110 115.9828 59.0654 40.8970 174.6943 41 E 4.1822 8.9700 123.3338 56.5974 30.4481 178.3501 42 G 3.8753 8.4265 112.6831 44.9288 0.0000 172.3710 43 D 4.4897 8.5206 117.1990 55.8449 41.2746 176.6496 44 S 3.7632 7.1047 110.8826 56.5724 66.1773 171.4359 45 G 3.4497 5.3800 112.4031 44.8697 0.0000 174.4004 46 G 3.9675 8.1801 110.9399 43.5421 0.0000 171.2641 47 P 4.4143 0.0000 0.0000 62.9478 32.3085 175.8281 48 I 4.2459 8.1897 121.9747 59.7861 38.7892 174.9500 49 W 5.1891 8.9531 127.5821 55.1129 32.0933 175.5307 50 F 5.2163 9.2444 121.1449 55.8464 42.2967 174.2267 51 F 4.7807 9.4194 123.3706 58.2069 39.9431 174.9888 52 T 4.8154 9.6426 116.9867 61.5729 71.0015 171.8436 53 S 5.5370 8.6851 114.2020 56.5322 65.5097 175.4444 54 K 3.9594 9.1569 122.1883 59.7446 31.9637 177.6721 55 D 4.7442 8.0377 115.6782 53.1578 39.6008 175.7142 56 N 4.4180 8.2869 119.6263 53.6042 39.3707 175.5551 57 A 4.0228 8.8394 128.4030 55.4223 18.7326 179.5852 58 L 3.8499 7.9081 114.4028 58.0450 42.0105 178.8555 59 I 3.8181 7.6071 118.3861 64.5836 36.9980 179.0917 60 A 4.1287 7.2065 119.6368 52.4538 17.5653 178.4271 *62 L 4.3531 8.1883 121.3010 55.1087 44.4533 177.7828 63 G 3.7611 7.8838 106.3517 46.7991 0.0000 175.4995 64 Q 4.1240 8.8990 121.1985 56.3978 29.0638 175.8359 65 G 4.4518 6.1665 114.1456 44.8898 0.0000 171.6983 66 R 4.6459 8.1747 124.3907 53.9412 33.1387 174.8721 67 R 4.5572 8.7566 125.3296 56.7630 30.9062 176.2121 68 V 4.7811 9.1940 115.5893 59.7111 36.9143 174.4100 69 I 4.9335 8.2297 121.5127 59.6394 40.7565 174.7659 70 G 4.4299 9.5807 115.1449 44.5368 0.0000 172.0757 71 A 5.2416 8.6883 127.3223 50.6456 20.3941 175.9684 72 F 5.0972 9.6910 125.7124 56.4653 42.7920 173.9931 73 S 4.6097 7.3893 118.8683 55.9680 66.1145 173.8452 74 S 4.2198 8.0691 116.6505 57.6398 64.4565 173.4666 75 K 4.1550 9.0602 123.9422 57.7349 32.2855 177.1186 76 G 3.9258 8.7395 114.7046 44.5365 0.0000 172.7503 77 H 3.6190 7.5241 115.2899 56.9529 26.3898 175.2395 78 D 4.8849 7.7637 118.7553 53.7536 41.0562 175.8021 79 L 5.1075 7.2913 121.6493 53.7793 45.8491 174.1764 80 F 5.4113 9.8112 124.6112 55.8066 42.6578 174.2301 81 A 5.4451 9.8110 123.4352 50.6524 23.1119 174.8427 82 S 5.2175 9.5869 117.5712 56.9222 64.4394 172.7560 83 I 4.7158 9.0281 129.5090 59.5439 39.1120 174.9228 84 S 5.0800 8.9795 122.3830 56.2003 65.9600 174.7506 85 G 4.0790 7.1397 107.1200 46.1759 0.0000 170.9458 86 S 5.1260 7.7109 114.1596 56.3496 65.7271 173.9952 87 L 5.3160 8.8974 128.5268 53.4683 44.3961 175.2257 88 R 4.9635 8.6664 120.8433 54.8406 33.3557 173.5858 89 E 4.5431 8.7022 121.1496 56.2791 30.4674 176.7118 90 D 4.7768 8.6772 123.9870 54.1122 42.1657 176.2659 91 T 4.2044 7.7073 120.7883 62.2357 67.5703 173.6395 92 D 4.6202 7.7296 121.7344 52.4382 42.6175 173.6806 93 P 4.1477 0.0000 0.0000 65.8903 31.4466 178.3960 94 A 3.9093 7.9924 118.8817 54.9598 18.2637 179.7672 95 V 3.1892 7.4639 116.2575 65.8886 31.6409 177.8714 96 V 3.7286 7.6200 118.0891 66.3520 31.0689 177.0547 97 D 4.3421 7.9932 116.2883 57.8698 41.0409 178.6179 98 R 4.0885 7.5651 116.4491 58.9993 30.1953 178.4259 99 L 4.3080 8.0531 116.6205 54.5877 42.3616 177.2662 100 W 4.1271 7.7466 129.8877 57.5839 31.3386 174.8974 101 N 4.5972 6.9782 120.6474 50.4106 40.5026 173.6382 102 P 3.9760 0.0000 0.0000 65.7596 30.9185 178.6611 103 Y 3.5625 7.3954 114.4495 60.6849 38.1665 177.9112 104 V 2.1459 7.2034 118.8254 65.2472 31.3638 177.7789 105 A 3.7157 7.0079 120.5738 55.0607 17.8212 179.3450 106 A 3.8464 6.9345 118.0297 54.9309 18.4822 178.5869 107 W 4.4399 7.1796 114.2314 57.6624 29.4255 175.8903 108 Y 4.9859 7.4737 116.0772 55.9649 40.9140 175.1250 109 E 4.0939 9.5437 125.8904 59.4531 29.9327 177.7584 110 G 3.9682 8.3783 104.2367 44.8607 0.0000 175.7510 111 G 4.0440 8.1841 107.7907 45.7256 0.0000 176.4608 112 K 3.1444 7.9731 119.2652 59.2412 32.0673 177.3165 113 D 4.5574 7.6555 115.5912 53.9898 41.0183 175.5786 114 D 4.4264 7.8180 120.8073 53.6679 41.2284 175.4553 115 P 4.2694 0.0000 0.0000 66.1277 31.7283 178.1062 116 K 4.3733 8.5344 120.3532 56.2340 32.6484 180.9591 117 L 4.5668 7.9057 122.3763 55.8651 42.5527 176.0279 118 A 4.9630 9.3159 127.1135 50.0744 23.1944 174.2257 119 L 5.1554 8.8874 121.2554 53.3194 45.3637 175.3751 120 L 5.3950 9.4011 126.3583 53.1074 44.7917 175.5417 121 R 4.7870 9.3779 118.2996 54.2040 32.8964 173.8735 122 L 5.0216 8.8667 124.5403 53.6902 44.5345 174.9454 123 D 4.9829 8.9327 127.7275 52.9340 41.5167 175.1233 124 A 4.6568 8.3881 126.0832 50.9741 18.8805 176.5365 125 D 4.5104 8.5707 123.5250 56.1038 40.3832 176.1378 126 H 5.0071 7.4925 112.7776 54.1426 32.2247 172.1010 127 A 4.9583 8.1658 119.0695 50.3644 22.4028 174.9874 128 Q 4.2771 8.9539 121.4906 54.1592 31.4713 174.4344 129 I 4.9912 7.6550 126.0359 59.2052 40.4653 174.6565 130 W 4.7650 9.6858 127.0413 54.8183 31.5618 175.1471 131 L 4.7127 8.7795 125.1644 54.6076 42.3060 176.6680 132 N 4.8974 9.3741 121.5194 51.9284 40.5763 174.1653 133 G 3.9459 8.5727 114.8089 43.9730 0.0000 170.8560 134 S 4.7384 8.2383 113.6996 56.7375 64.7049 173.9888 135 S 4.5100 8.1923 115.5184 56.5092 65.0097 173.5171 136 L 4.1972 8.5276 126.0733 53.8867 41.9288 177.1252 137 L 4.2608 8.3114 123.5158 53.6660 42.5502 176.5566 138 A 4.1169 8.3095 123.2020 52.0258 18.8477 177.9313 139 G 3.7280 8.5317 111.0709 45.4051 0.0000 173.0736 140 I 4.4406 8.1137 123.8991 59.0426 39.4440 175.4422 141 K 4.2913 8.5547 125.3495 55.7614 32.8653 176.6174 142 V 4.4409 7.9699 121.9313 60.7017 34.4915 174.8636 143 L 4.1468 8.5346 126.9389 54.5829 42.1661 176.1974 144 L 4.5499 8.4539 123.4241 53.1064 43.0389 176.8160 145 G 3.7481 8.6313 111.7716 45.6907 0.0000 173.1740 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 A 8.25 4.33 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 3 D 8.32 4.42 0.00 2.92 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 4 P 0.00 4.48 0.00 2.27 2.30 0.00 3.71 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 2.07 2.00 0.00 5 K 8.03 3.93 0.00 1.91 1.96 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.65 7.81 6 E 7.84 4.00 0.00 2.18 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 2.35 2.37 0.00 7 L 7.83 4.00 0.00 1.82 1.68 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.11 3.97 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.79 2.46 0.00 9 D 8.58 4.56 0.00 3.04 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 10 K 8.20 4.01 0.00 2.14 1.93 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.32 7.81 11 F 8.47 4.09 0.00 2.99 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 12 W 8.09 4.03 0.00 3.44 3.27 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 13 K 8.23 3.90 0.00 2.01 1.99 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 14 A 7.99 4.04 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 0.00 0.00 0.00 0.00 0.00 15 L 7.75 3.39 0.00 0.45 1.28 0.50 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.08 4.00 0.00 1.91 1.83 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 S 7.85 4.33 0.00 4.10 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 18 D 8.32 4.48 0.00 2.99 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 19 R 8.51 4.45 0.00 2.16 2.31 0.00 3.32 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 20 T 7.96 4.48 4.31 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 1.28 0.00 0.00 21 V 8.26 4.68 2.40 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 1.22 0.00 0.00 1.23 0.00 0.00 *23 L 8.43 4.19 0.00 1.52 1.52 0.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.63 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 0.00 0.00 0.00 0.00 25 L 8.25 5.07 0.00 1.57 1.56 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.72 4.25 0.00 2.61 2.57 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 27 G 9.14 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 28 V 7.09 4.33 2.07 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 0.99 0.00 0.00 0.93 0.00 0.00 29 E 9.44 3.55 0.00 2.21 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 2.29 2.25 0.00 30 D 9.16 4.12 0.00 2.82 2.69 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 31 G 8.23 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 32 H 7.89 4.20 0.00 3.22 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.67 4.64 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 34 R 8.38 4.34 0.00 2.08 1.92 0.00 3.18 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.00 35 P 0.00 5.12 0.00 2.11 2.12 0.00 3.38 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 *37 T 8.24 4.17 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 1.44 0.00 0.00 38 A 8.91 3.96 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 39 Q 9.00 4.79 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 40 I 8.41 5.06 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 1.02 0.00 0.00 41 E 8.97 4.18 0.00 2.04 1.92 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 2.27 2.30 0.00 42 G 8.43 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 0.00 0.00 0.00 43 D 8.52 4.49 0.00 2.62 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 44 S 7.10 3.76 0.00 3.34 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 45 G 5.38 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 0.00 0.00 0.00 0.00 46 G 8.18 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 47 P 0.00 4.41 0.00 0.91 1.82 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 48 I 8.19 4.25 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.66 0.00 0.00 49 W 8.95 5.19 0.00 3.20 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 50 F 9.24 5.22 0.00 2.98 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 51 F 9.42 4.78 0.00 3.46 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.64 4.82 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 1.34 0.00 0.00 53 S 8.69 5.54 0.00 4.04 4.09 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 54 K 9.16 3.96 0.00 1.78 1.98 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.29 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.79 1.76 7.81 55 D 8.04 4.74 0.00 2.79 2.79 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 0.00 0.00 0.00 56 N 8.29 4.42 0.00 2.89 2.81 0.00 0.00 7.08 7.38 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 57 A 8.84 4.02 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 58 L 7.91 3.85 0.00 1.68 1.75 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.61 3.82 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 1.00 0.00 0.00 60 A 7.21 4.13 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 *62 L 8.19 4.35 0.00 1.76 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.88 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 64 Q 8.90 4.12 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 65 G 6.17 4.45 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 0.00 0.00 0.00 0.00 66 R 8.17 4.65 0.00 1.85 1.73 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 67 R 8.76 4.56 0.00 1.73 1.85 0.00 3.36 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 68 V 9.19 4.78 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 0.96 0.00 0.00 69 I 8.23 4.93 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.21 0.95 0.00 0.00 70 G 9.58 4.43 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 0.00 71 A 8.69 5.24 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 72 F 9.69 5.10 0.00 3.27 3.22 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 73 S 7.39 4.61 0.00 2.96 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.22 0.00 3.98 4.01 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 75 K 9.06 4.16 0.00 1.65 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.35 7.81 76 G 8.74 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 77 H 7.52 3.62 0.00 3.34 3.51 0.00 5.67 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 78 D 7.76 4.88 0.00 2.77 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 79 L 7.29 5.11 0.00 1.74 1.51 1.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.81 5.41 0.00 3.11 2.97 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 81 A 9.81 5.45 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 82 S 9.59 5.22 0.00 4.30 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 83 I 9.03 4.72 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 0.89 0.00 0.00 84 S 8.98 5.08 0.00 3.77 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 85 G 7.14 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 86 S 7.71 5.13 0.00 3.89 3.66 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 87 L 8.90 5.32 0.00 1.72 1.46 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.67 4.96 0.00 1.91 1.96 0.00 2.99 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 89 E 8.70 4.54 0.00 2.05 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 0.00 2.36 2.46 0.00 90 D 8.68 4.78 0.00 2.78 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 91 T 7.71 4.20 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 1.28 0.00 0.00 92 D 7.73 4.62 0.00 2.98 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 93 P 0.00 4.15 0.00 2.14 2.04 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 94 A 7.99 3.91 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 95 V 7.46 3.19 1.62 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 -0.55 0.00 0.00 0.66 0.00 0.00 96 V 7.62 3.73 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 1.05 0.00 0.00 1.02 0.00 0.00 97 D 7.99 4.34 0.00 2.62 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 98 R 7.57 4.09 0.00 1.90 2.03 0.00 3.29 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 99 L 8.05 4.31 0.00 1.91 2.00 0.47 1.16 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 0.00 100 W 7.75 4.13 0.00 3.58 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 N 6.98 4.60 0.00 2.90 2.79 0.00 0.00 6.21 7.76 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 0.00 102 P 0.00 3.98 0.00 1.66 1.85 0.00 3.44 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 103 Y 7.40 3.56 0.00 2.69 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 0.00 104 V 7.20 2.15 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 0.00 0.00 -0.58 0.00 0.00 0.45 0.00 0.00 105 A 7.01 3.72 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 0.00 106 A 6.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.18 4.44 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.47 4.99 0.00 3.24 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 0.00 109 E 9.54 4.09 0.00 2.00 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 0.00 2.35 2.43 0.00 110 G 8.38 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 0.00 111 G 8.18 4.04 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 0.00 0.00 0.00 112 K 7.97 3.14 0.00 1.25 1.41 0.00 1.23 0.00 0.00 1.27 0.00 0.00 2.38 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.21 7.81 113 D 7.66 4.56 0.00 2.57 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 0.00 114 D 7.82 4.43 0.00 2.89 2.60 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 0.00 115 P 0.00 4.27 0.00 2.11 2.12 0.00 3.76 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 2.04 2.09 0.00 116 K 8.53 4.37 0.00 1.46 1.80 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.26 7.81 117 L 7.91 4.57 0.00 1.36 1.62 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.32 4.96 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 0.00 119 L 8.89 5.16 0.00 1.64 1.62 -0.05 0.15 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 0.00 120 L 9.40 5.40 0.00 1.83 1.66 0.93 0.71 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 0.00 121 R 9.38 4.79 0.00 0.84 1.21 0.00 2.63 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 122 L 8.87 5.02 0.00 1.96 1.95 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.93 4.98 0.00 2.60 2.58 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 0.00 124 A 8.39 4.66 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 0.00 125 D 8.57 4.51 0.00 2.78 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 0.00 126 H 7.49 5.01 0.00 3.08 3.35 0.00 5.41 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.17 4.96 0.67 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 0.00 128 Q 8.95 4.28 0.00 1.86 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.57 0.00 129 I 7.66 4.99 1.71 0.00 0.00 0.64 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 0.48 1.01 0.00 0.00 130 W 9.69 4.77 0.00 3.37 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 0.00 131 L 8.78 4.71 0.00 1.61 1.67 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 132 N 9.37 4.90 0.00 3.11 2.99 0.00 0.00 7.03 8.70 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 0.00 133 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 0.00 134 S 8.24 4.74 0.00 4.00 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 0.00 135 S 8.19 4.51 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.53 4.20 0.00 1.67 1.66 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.31 4.26 0.00 1.64 1.61 0.92 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 0.00 138 A 8.31 4.12 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 0.00 139 G 8.53 3.73 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 0.00 0.00 0.00 140 I 8.11 4.44 1.87 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 1.41 0.88 0.91 0.00 0.00 141 K 8.55 4.29 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 142 V 7.97 4.44 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 143 L 8.53 4.15 0.00 1.68 1.59 0.92 0.98 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 0.00 144 L 8.45 4.55 0.00 1.62 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.63 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.