NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2938 8.0249 121.4514 61.4952 38.2781 174.9542 3 V 4.0146 8.3460 118.7751 61.6563 32.8890 174.7567 4 G 4.7389 7.7530 105.6368 45.9190 0.0000 171.7449 5 L 5.2894 8.4419 123.4877 53.0310 45.8488 175.3049 6 G 4.3663 9.2455 112.3449 44.9397 0.0000 171.2158 7 T 5.2755 8.3340 116.3700 60.5218 71.1256 172.2467 8 D 4.7864 8.9289 124.5698 52.9569 45.2186 173.5799 9 I 5.1197 8.4662 124.1852 59.1536 40.9042 174.2164 10 A 4.9173 9.4282 129.9846 50.0429 22.4720 174.8277 11 E 4.4444 8.9487 123.3489 55.4988 30.3537 177.3152 12 I 3.7284 8.6172 128.9020 64.4589 37.0799 178.0010 13 E 3.9165 8.1049 119.6568 59.4024 29.3730 179.0340 14 R 3.8700 7.7649 118.3718 59.0087 30.0855 179.1579 15 V 3.6259 7.6695 117.6765 65.9724 31.6361 177.7504 16 E 4.0355 8.3704 118.4072 59.4773 29.2043 179.5231 17 K 3.9601 8.3444 118.4344 59.3609 31.9792 179.2948 18 A 3.8352 7.9803 121.1117 55.0340 18.1912 179.7275 19 L 4.1373 8.3300 117.4126 57.9513 41.5021 179.5859 20 A 4.0813 8.0831 119.8471 54.7042 18.2859 179.5181 21 R 4.1718 7.6151 115.6693 58.5651 31.0979 178.3013 22 S 4.7217 8.4251 112.4528 55.7850 64.9009 176.3013 23 G 4.0219 8.7550 110.7797 46.1354 0.0000 176.6628 24 E 4.0065 9.0345 124.8192 59.0766 28.8065 177.9074 25 N 4.4206 7.9279 115.7726 56.0938 38.7679 176.9955 26 F 4.5398 8.1931 121.3027 61.3645 39.7157 176.8038 27 A 3.2554 7.9708 120.5747 55.1198 17.8491 179.6617 28 R 3.8038 8.1129 116.1763 59.1735 30.1409 178.4296 29 R 4.0559 7.5403 117.9831 59.3412 30.1788 178.0674 30 I 3.6765 7.3744 117.7865 61.9218 37.8584 176.0174 31 L 4.8306 7.1822 118.8935 52.8434 43.4741 177.1542 32 T 3.9089 8.6519 113.7216 61.4856 70.8023 175.4117 33 D 4.3251 8.4910 121.2191 57.5342 40.8041 179.1344 34 S 4.2176 7.9555 113.3395 61.4276 62.4431 175.9060 35 E 4.2327 8.1957 120.8977 59.2184 29.1821 179.1663 36 L 3.9095 8.1100 119.3634 57.6398 41.1393 179.1999 37 E 3.9648 7.7960 117.1527 59.7769 29.2423 179.5846 38 Q 3.9823 7.3198 114.0498 58.6335 29.0800 178.0616 39 F 2.8987 8.1223 121.9184 61.3842 39.1613 177.0507 40 H 4.0104 8.3325 114.2629 58.4312 28.5084 177.1991 41 A 4.0530 7.3103 120.7303 53.0539 18.7399 177.8513 42 S 4.1073 6.8820 112.1066 58.2939 62.8799 174.0108 43 K 4.3616 8.4231 124.3513 56.4520 33.0628 176.8931 44 Q 4.5812 8.0324 117.0680 53.8958 28.3374 175.9074 45 Q 3.9680 7.9225 121.8797 59.5121 29.2242 178.6587 46 G 3.7170 8.1063 106.4622 47.8237 0.0000 175.9243 47 R 3.9786 7.9898 120.0534 58.8321 30.1180 178.4742 48 F 4.0229 8.4960 120.6568 61.5469 39.3894 177.0707 49 L 4.1364 8.8473 119.9711 57.9688 41.7730 178.6745 50 A 4.1146 8.3352 121.0092 55.0779 18.2596 179.7576 51 K 3.9287 8.0111 116.7361 59.7470 32.0854 179.8855 52 R 3.8630 7.7572 118.1046 58.9776 29.9015 178.8974 53 F 4.0369 8.7689 120.7514 61.2177 39.3550 177.0024 54 A 4.7509 8.7119 121.7113 54.6787 18.1051 179.4095 55 A 3.8551 8.1566 119.3320 55.3626 18.3868 180.1121 56 K 3.4724 8.1364 117.0319 59.3384 32.1177 179.5790 57 E 3.6472 8.1406 118.8264 59.0752 29.3358 179.1321 58 A 3.8804 8.0885 120.8578 55.0775 18.4359 179.5636 59 A 3.8381 7.9141 119.6642 55.2456 18.2947 180.0009 60 S 4.1187 7.6890 113.0625 61.5564 62.8993 176.9366 61 K 3.9516 7.9732 121.8297 58.9907 31.7740 179.2034 62 A 4.2575 7.9217 122.5655 54.5473 18.0461 179.6682 63 L 4.0840 7.8963 116.8754 56.1426 41.7112 178.5540 64 G 4.0062 7.9431 105.8157 45.2716 0.0000 173.6670 65 T 4.2187 7.6875 109.1334 60.6518 70.7337 175.5487 66 G 3.8612 7.8029 109.8177 45.3603 0.0000 173.7453 67 I 3.9108 7.7891 117.4049 59.5010 35.5083 174.6041 68 A 4.4803 8.1783 128.2266 51.4256 22.6342 176.1737 69 Q 3.5742 9.7366 114.8576 57.0522 26.1456 175.6208 70 G 3.9236 8.4775 106.2023 45.0745 0.0000 174.6557 71 V 3.9333 7.8987 121.5792 62.6187 32.1880 175.0167 72 T 4.8538 8.4508 116.1399 59.2863 71.7264 174.9656 73 F 4.4376 8.6905 119.9781 60.9376 38.9991 176.9972 74 H 4.7273 7.9974 115.5300 57.0971 28.7807 175.9106 75 D 4.3851 8.2864 119.6956 54.8181 40.9120 175.4715 76 F 4.9702 7.7846 118.1703 55.7692 41.5784 174.8923 77 T 4.7027 8.9315 119.9434 61.8231 71.6404 172.8858 78 I 4.7794 8.8926 127.7269 60.1102 38.9345 174.9810 79 S 4.8905 8.9803 120.8721 57.0038 66.4935 171.7070 80 H 5.4786 8.5745 116.1731 54.1384 32.8174 173.6804 81 D 4.7684 8.7156 121.5637 51.7230 41.0394 177.4097 82 K 3.9741 8.5321 117.4948 59.4021 32.4188 177.5717 83 L 4.3106 8.1166 117.7109 54.6025 41.9633 177.2808 84 G 4.0077 8.2788 107.6631 44.6060 0.0000 174.0121 85 K 4.0688 8.0723 122.0686 55.5948 32.8223 173.8974 86 P 4.8351 0.0000 0.0000 62.6332 32.4616 175.4000 87 L 4.8291 8.9063 121.9630 52.8405 45.3304 174.9570 88 L 5.1139 8.5448 124.4692 53.3797 44.2344 175.3242 89 I 4.6446 8.7902 126.7244 59.5315 40.4463 174.5943 90 L 5.1266 8.5656 126.3889 53.8000 43.4864 175.7514 91 S 4.3444 8.6373 116.0704 57.5170 67.0804 174.1610 92 G 3.9262 8.6928 106.9409 45.4396 0.0000 175.3964 93 Q 3.8984 8.6092 118.1885 58.9997 28.9702 178.4613 94 A 3.8463 7.9344 121.2514 55.0144 18.4024 179.2404 95 A 3.8690 7.7515 119.1921 55.2645 18.4512 179.6987 96 E 3.8859 7.9224 116.7446 59.5930 29.5884 179.6574 97 L 3.9483 8.2273 119.0635 57.7458 41.6410 179.3577 98 A 4.0122 8.2504 120.9905 55.2018 18.2625 179.6412 99 S 4.0087 8.2040 111.5911 61.7055 62.2686 176.4148 100 Q 4.0396 7.8188 119.5611 58.7612 28.5488 178.1311 101 L 4.2140 7.7561 117.3879 54.5113 42.3099 176.7798 102 Q 3.5796 8.1090 117.6682 56.6889 26.5448 173.5022 103 V 3.8414 7.9369 118.0085 63.2513 31.8876 175.1710 104 E 4.7629 9.0156 125.0993 56.0285 32.0006 175.8900 105 N 5.0364 8.0133 116.5328 51.4401 43.1035 173.2885 106 I 4.9135 8.3178 123.1408 59.7520 40.5039 174.4741 107 H 5.0116 9.2617 123.6578 53.8576 32.0548 172.5504 108 L 5.2324 8.5186 123.6711 53.4395 45.2834 175.2058 109 S 4.8392 9.0925 119.4322 56.6305 66.1428 172.5408 110 I 5.0657 8.2815 124.7381 59.7992 40.4154 174.7578 111 S 4.6894 8.4238 118.1720 56.9127 65.4976 172.5138 112 D 5.1064 8.4046 124.3118 51.7109 42.6296 174.8380 113 E 4.7346 8.6789 118.7282 55.1791 31.8664 174.8094 114 R 3.9493 8.9892 116.9915 59.9492 30.1617 178.0326 115 H 4.6195 8.5078 112.4354 55.7485 30.6745 173.5086 116 Y 5.3322 7.9145 115.8602 56.0538 42.2181 174.3914 117 A 5.5059 9.2948 123.6338 49.1386 23.1270 174.8587 *119 A 4.5297 8.2234 119.0741 52.4267 20.5037 175.9912 120 T 5.1405 8.5760 115.6090 61.7408 72.8826 173.3449 121 V 4.9698 9.1011 124.6456 61.1721 35.1589 174.1669 122 I 5.0409 8.9489 127.6395 59.5150 40.8121 174.2045 123 L 5.2617 8.8290 126.5151 52.9614 44.1859 175.3914 124 E 5.0774 9.3189 120.9201 54.4020 33.5493 176.0782 125 R 4.5821 8.4371 115.7695 55.6120 29.7450 175.7813 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 I 8.02 4.29 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 1.42 1.07 0.98 0.00 0.00 3 V 8.35 4.01 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 0.61 0.00 0.00 0.97 0.00 0.00 4 G 7.75 4.74 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 5 L 8.44 5.29 0.00 1.72 1.45 0.96 1.03 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 6 G 9.25 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 7 T 8.33 5.28 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 8 D 8.93 4.79 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 5.12 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.30 0.92 0.00 0.00 10 A 9.43 4.92 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.95 4.44 0.00 2.18 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 2.25 2.03 0.00 12 I 8.62 3.73 1.80 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 1.43 0.51 0.91 0.00 0.00 13 E 8.10 3.92 0.00 1.99 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 2.35 2.39 0.00 14 R 7.76 3.87 0.00 1.93 1.89 0.00 3.31 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 15 V 7.67 3.63 2.26 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 1.26 0.00 0.00 0.86 0.00 0.00 16 E 8.37 4.04 0.00 2.21 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 2.37 2.51 0.00 17 K 8.34 3.96 0.00 1.89 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.60 7.81 18 A 7.98 3.84 0.76 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 19 L 8.33 4.14 0.00 1.99 1.87 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.08 4.08 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 21 R 7.62 4.17 0.00 1.84 1.96 0.00 3.07 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 22 S 8.43 4.72 0.00 3.94 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 23 G 8.76 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 24 E 9.03 4.01 0.00 2.04 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 0.00 2.47 2.41 0.00 25 N 7.93 4.42 0.00 2.94 2.94 0.00 0.00 6.97 6.78 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 26 F 8.19 4.54 0.00 2.97 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 27 A 7.97 3.26 0.73 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 28 R 8.11 3.80 0.00 2.08 1.99 0.00 3.33 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 29 R 7.54 4.06 0.00 2.00 2.17 0.00 3.42 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 30 I 7.37 3.68 1.52 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.47 0.72 0.00 0.00 31 L 7.18 4.83 0.00 1.51 1.51 0.49 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.65 3.91 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 1.25 0.00 0.00 33 D 8.49 4.33 0.00 2.69 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 34 S 7.96 4.22 0.00 3.89 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 35 E 8.20 4.23 0.00 2.27 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 2.42 2.40 0.00 36 L 8.11 3.91 0.00 1.85 1.58 0.94 0.52 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 37 E 7.80 3.96 0.00 2.20 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 2.35 2.56 0.00 38 Q 7.32 3.98 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 39 F 8.12 2.90 0.00 2.65 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 40 H 8.33 4.01 0.00 3.09 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.31 4.05 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 42 S 6.88 4.11 0.00 3.55 3.46 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 43 K 8.42 4.36 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.34 7.81 44 Q 8.03 4.58 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 45 Q 7.92 3.97 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 1.21 2.06 0.00 46 G 8.11 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.99 3.98 0.00 2.06 2.03 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 48 F 8.50 4.02 0.00 3.21 3.33 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 49 L 8.85 4.14 0.00 2.06 1.78 0.55 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.34 4.11 1.44 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 0.00 0.00 0.00 51 K 8.01 3.93 0.00 1.88 1.79 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.59 7.81 52 R 7.76 3.86 0.00 1.91 1.97 0.00 3.21 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.71 0.00 53 F 8.77 4.04 0.00 3.10 3.25 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 54 A 8.71 4.75 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 55 A 8.16 3.86 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 56 K 8.14 3.47 0.00 1.91 1.80 0.00 1.87 0.00 0.00 2.21 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.71 7.81 57 E 8.14 3.65 0.00 1.89 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 2.06 1.73 0.00 58 A 8.09 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.84 0.97 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 60 S 7.69 4.12 0.00 4.03 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 61 K 7.97 3.95 0.00 1.94 1.85 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.53 7.81 62 A 7.92 4.26 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 63 L 7.90 4.08 0.00 1.88 1.79 1.00 0.89 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 64 G 7.94 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 0.00 0.00 0.00 65 T 7.69 4.22 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 1.21 0.00 0.00 66 G 7.80 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 0.00 0.00 0.00 67 I 7.79 3.91 1.70 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.29 0.76 0.00 0.00 68 A 8.18 4.48 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 69 Q 9.74 3.57 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.48 3.92 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 0.00 0.00 0.00 71 V 7.90 3.93 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 1.03 0.00 0.00 0.92 0.00 0.00 72 T 8.45 4.85 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 1.25 0.00 0.00 73 F 8.69 4.44 0.00 3.38 3.39 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 74 H 8.00 4.73 0.00 3.11 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.29 4.39 0.00 1.94 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 0.00 0.00 0.00 76 F 7.78 4.97 0.00 2.88 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 77 T 8.93 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 1.24 0.00 0.00 78 I 8.89 4.78 1.96 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 1.08 0.39 0.81 0.00 0.00 79 S 8.98 4.89 0.00 3.85 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 80 H 8.57 5.48 0.00 3.00 3.15 0.00 5.94 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 81 D 8.72 4.77 0.00 2.93 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 82 K 8.53 3.97 0.00 1.89 2.01 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.48 7.81 83 L 8.12 4.31 0.00 1.79 1.75 0.93 0.79 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 84 G 8.28 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 0.00 0.00 0.00 85 K 8.07 4.07 0.00 1.82 2.00 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.44 7.81 86 P 0.00 4.84 0.00 2.04 1.96 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 87 L 8.91 4.83 0.00 1.50 1.54 0.92 0.42 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 88 L 8.54 5.11 0.00 1.61 1.54 1.06 1.02 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 89 I 8.79 4.64 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 1.23 0.66 0.91 0.00 0.00 90 L 8.57 5.13 0.00 1.47 1.50 1.08 0.86 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 91 S 8.64 4.34 0.00 3.75 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 92 G 8.69 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 93 Q 8.61 3.90 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 94 A 7.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.75 3.87 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 96 E 7.92 3.89 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 2.30 2.47 0.00 97 L 8.23 3.95 0.00 1.65 1.70 0.90 0.78 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 98 A 8.25 4.01 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 99 S 8.20 4.01 0.00 3.96 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 0.00 100 Q 7.82 4.04 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 101 L 7.76 4.21 0.00 1.79 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.11 3.58 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 103 V 7.94 3.84 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 0.81 0.00 0.00 0.96 0.00 0.00 104 E 9.02 4.76 0.00 1.83 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 2.22 2.40 0.00 105 N 8.01 5.04 0.00 2.73 2.56 0.00 0.00 6.92 7.21 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 0.00 106 I 8.32 4.91 1.84 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 1.34 0.59 0.91 0.00 0.00 107 H 9.26 5.01 0.00 3.02 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.52 5.23 0.00 1.56 1.46 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.09 4.84 0.00 3.90 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 0.00 110 I 8.28 5.07 1.86 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 1.21 0.76 0.90 0.00 0.00 111 S 8.42 4.69 0.00 3.80 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 0.00 112 D 8.40 5.11 0.00 2.93 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 0.00 113 E 8.68 4.73 0.00 2.04 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 2.28 2.36 0.00 114 R 8.99 3.95 0.00 1.70 1.91 0.00 3.10 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 115 H 8.51 4.62 0.00 3.10 2.57 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.91 5.33 0.00 3.00 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 0.00 117 A 9.29 5.51 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 *119 A 8.22 4.53 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 0.00 120 T 8.58 5.14 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 0.00 121 V 9.10 4.97 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 1.06 0.00 0.00 0.89 0.00 0.00 122 I 8.95 5.04 1.92 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 1.23 0.70 0.97 0.00 0.00 123 L 8.83 5.26 0.00 1.59 1.56 0.94 0.53 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 0.00 124 E 9.32 5.08 0.00 1.98 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 2.37 2.25 0.00 125 R 8.44 4.58 0.00 1.97 1.96 0.00 2.67 0.00 0.00 3.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.