NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4927 8.3049 120.3440 55.0016 34.2499 175.3638 5 F 5.1700 7.7362 116.9721 57.2103 40.1235 175.9188 6 R 3.9994 8.5942 122.7490 59.5555 31.2443 175.2123 7 K 4.8425 7.9331 119.5161 55.8151 34.0882 173.4561 8 V 4.3028 8.9180 125.8797 61.1331 33.5671 173.8655 9 L 5.2779 8.7449 128.9244 53.3107 45.3315 175.0679 10 F 5.0208 9.0303 127.0317 55.8999 42.0383 171.4622 11 P 4.6847 0.0000 0.0000 62.2437 32.0902 175.9243 12 T 4.1365 8.7631 119.9157 60.1271 68.8482 173.4432 13 D 4.2921 8.5476 128.4200 54.4303 40.1499 177.1147 14 F 4.3344 7.9634 117.2010 56.9582 36.6182 174.9034 15 S 4.3555 10.7563 115.5840 58.6266 63.9895 174.6803 16 E 4.0920 9.1590 125.8519 59.5885 29.1832 179.5367 17 G 3.7641 8.3596 105.9053 47.8129 0.0000 175.2149 18 A 4.0170 7.9441 123.1355 55.0871 18.2890 179.1939 19 Y 4.0999 8.5933 114.4326 61.0663 38.0468 178.6987 20 R 4.1583 8.2727 119.8053 59.3121 30.3468 178.2576 21 A 3.7060 8.1922 120.6757 55.1267 18.0898 179.9194 22 V 3.8010 7.4421 116.5439 64.6203 31.7152 178.1596 23 E 4.2546 9.0885 120.6335 59.0035 29.4781 178.7918 24 V 3.6118 7.8876 117.8406 66.2334 31.4850 177.7594 25 F 3.7389 8.1963 119.6607 60.8977 38.9303 176.7135 26 E 4.4953 8.0066 119.7836 58.2443 29.4762 178.5646 27 K 4.1192 7.7802 117.7435 59.2687 32.3737 178.8344 28 R 4.0497 7.8840 117.2105 56.8402 30.5436 176.4712 29 N 4.4559 7.3982 117.5747 52.3589 39.5948 174.6392 30 K 4.4876 8.3626 122.8785 56.4440 33.9112 176.4517 31 M 4.3474 7.3524 118.7509 54.6904 32.6167 175.6336 32 E 4.3862 8.6214 122.6974 55.9303 30.8565 175.7222 33 V 4.4658 8.4276 125.7901 62.2646 33.8868 174.3128 34 G 4.0294 9.5459 111.6421 48.8501 0.0000 174.3825 35 E 5.2934 6.3052 121.6918 54.3353 33.9159 174.6625 36 V 4.6950 8.8342 125.0916 60.9718 34.0702 174.6009 37 I 4.2453 8.5157 130.6281 61.0974 38.1839 174.9580 38 L 5.0661 9.1946 130.8714 53.2511 43.8906 174.7959 39 L 5.2888 8.9276 128.3683 53.4234 45.6250 174.2829 40 H 5.1451 9.1841 125.5149 54.2053 32.7311 172.2831 41 V 4.6032 7.9430 125.2497 59.8988 33.2974 175.5385 42 I 3.7151 9.0283 127.8187 61.0213 38.2949 175.4769 43 D 4.2329 8.6527 127.2186 53.3902 39.1953 175.9049 44 E 3.7684 8.5713 126.8583 57.3796 29.7108 177.8280 45 G 4.0353 7.9393 106.5583 46.5331 0.0000 174.9584 46 T 4.4852 8.0107 117.2721 63.6886 71.6923 176.5661 47 L 3.9522 8.0680 122.7976 58.4324 42.2185 178.4344 48 E 4.2977 7.8554 114.1260 56.7683 28.8180 177.3350 49 E 4.6399 7.7795 119.1441 56.7720 31.9349 177.6688 50 L 4.1243 8.5233 119.5862 58.2216 41.6720 178.8948 51 M 4.0596 7.6870 116.8656 58.6958 32.2621 177.8997 52 D 4.7674 8.0040 119.5103 51.4628 37.0328 175.9483 53 G 4.9924 7.8484 124.6954 47.0964 0.0000 170.6267 *65 L 4.0400 7.4883 120.0404 53.9648 43.3143 177.1537 66 K 4.3417 8.4886 124.9004 57.2863 31.0918 176.2638 67 D 4.9428 7.3785 111.4299 54.3738 42.1499 178.1316 68 I 3.9763 7.8878 120.7871 63.8405 37.0046 176.1089 69 K 3.7947 8.4476 119.7969 59.5297 31.6151 177.4696 70 E 4.0063 8.2310 118.0786 59.8699 30.0019 179.5182 71 K 4.8631 7.7552 118.0282 57.7856 31.9301 178.9072 72 L 4.1199 8.8123 121.1881 57.3052 42.4177 178.1067 73 K 4.1070 8.0296 119.3844 59.4789 32.2638 178.1431 74 E 3.9288 8.2080 117.7374 59.7147 29.4480 178.3910 75 E 3.8349 8.0965 119.8764 59.8113 29.4011 177.7773 76 A 4.2417 9.1003 121.4701 53.1180 18.3311 180.8600 77 S 3.8479 7.1869 110.6649 60.9666 63.8369 176.0484 78 R 4.0643 8.2760 122.3396 57.8832 29.5277 177.8616 79 K 3.7263 7.9334 120.9589 59.8846 32.3747 178.5723 80 L 4.3166 8.3354 120.4433 58.1944 42.0063 178.6224 81 Q 4.1994 7.9704 117.5962 57.7676 28.6112 177.3985 82 E 4.3261 8.3592 117.1516 56.8931 29.4830 176.8282 83 K 5.1183 8.7261 115.2369 56.2304 37.1827 177.2794 84 A 4.0746 7.9192 120.2310 54.8961 18.0147 179.1032 85 E 4.0338 8.0730 116.9992 59.0089 29.8432 178.8364 86 E 3.9728 8.0042 118.5001 59.3532 29.6517 179.2827 87 V 3.2848 7.4834 118.4159 65.4272 31.3606 177.8626 88 K 3.7362 7.7350 119.3242 59.1926 31.6849 178.7440 89 R 4.0376 7.4749 115.0628 58.8378 30.1272 178.0224 90 A 4.2170 8.1997 121.8019 54.1730 18.2167 177.6693 91 F 5.2116 8.0549 115.1042 57.1255 41.1856 175.7489 92 R 4.8363 8.4254 118.0567 55.6641 29.1488 176.2107 93 A 5.6431 7.6807 120.3969 50.4291 19.9916 179.6027 94 K 4.2255 8.7744 121.6095 58.8482 33.2246 177.5411 95 N 5.0938 8.0201 117.5374 51.6344 42.9176 173.7583 96 V 4.9720 8.5273 123.3287 59.7856 34.0907 174.8547 97 R 4.8061 8.5783 118.6080 54.7143 33.3592 173.9621 98 T 5.0941 8.4061 115.0800 61.8087 71.4889 173.8199 99 I 4.6176 8.8097 126.2895 59.5963 40.6644 174.6680 100 I 5.2803 8.3516 126.9446 59.8816 38.7830 175.0545 101 R 4.7174 8.2729 123.8079 55.0893 33.8259 173.1232 102 F 4.7902 9.5695 126.5511 55.8836 41.4429 175.0273 103 G 3.8342 6.7669 114.4376 46.4878 0.0000 170.8934 104 I 4.0290 7.1801 122.9697 60.5052 39.1783 173.6118 105 P 4.0158 0.0000 0.0000 65.4839 30.9517 178.3050 106 W 4.5527 7.9500 116.4775 60.0790 28.1151 177.9919 107 D 3.6441 6.0500 117.4033 56.8143 40.4139 177.8400 108 E 4.0751 8.2163 119.2019 58.5788 29.5284 179.1670 109 I 3.6123 7.4946 119.7041 64.4883 37.2460 178.3487 110 V 3.7621 7.6280 118.7098 66.1164 31.1783 177.7958 111 K 3.9377 7.7258 117.0200 59.1174 31.8816 178.9593 112 V 3.5612 8.2783 118.3194 66.3528 31.2456 177.9783 113 A 4.0063 8.1626 118.9619 55.4097 18.3793 179.2460 114 E 4.0406 8.4605 116.9206 60.2489 29.4114 178.6716 115 E 3.8625 8.7779 116.8409 60.7498 29.4310 178.7634 116 E 4.1103 8.8164 116.3876 56.5976 29.4360 177.0032 117 N 3.9891 8.0217 116.7167 54.8820 38.1704 173.6777 118 V 3.6724 6.9379 113.7816 60.8082 32.6601 175.6722 119 S 4.6077 9.6162 119.8975 59.8460 64.1997 173.6570 120 L 4.6707 7.4794 119.8584 54.3561 45.5199 173.0405 121 I 5.0322 8.4394 123.8677 59.5369 40.5839 174.6707 122 I 5.4089 8.7233 127.8683 59.1054 38.7720 174.8069 123 L 4.6986 8.2862 127.7127 51.9563 43.9144 174.6138 124 P 4.7538 0.0000 0.0000 62.9617 31.7326 176.2866 125 S 4.1502 9.2476 118.5729 61.2363 63.4488 174.0618 126 R 4.5188 7.9418 120.7950 54.3528 29.7265 176.1675 127 G 4.0202 8.7598 112.5612 48.5751 0.0000 173.5238 128 K 3.7519 7.6757 119.6008 58.6312 32.1670 177.1547 *133 H 4.5340 8.1545 116.1356 55.1326 31.3738 172.1934 134 E 3.5821 8.6415 114.9383 57.1860 29.2173 174.3867 135 F 4.5078 9.1696 122.4384 57.0689 39.7945 174.7725 136 L 3.8289 7.9306 128.8126 53.4732 42.2607 177.1475 137 G 3.7805 7.6349 113.2571 45.9070 0.0000 174.1172 138 S 4.2281 8.5328 114.0036 60.6407 63.4845 176.3248 139 T 4.2597 7.8072 112.7029 63.7472 68.9967 177.0155 140 V 3.5148 7.7508 122.1848 64.9232 31.4507 177.7638 141 M 3.6948 7.4188 119.7575 57.7815 32.3078 177.9445 142 R 3.8755 7.5859 118.1680 58.7505 30.4313 178.7222 143 V 3.7849 7.7311 112.2858 64.1261 31.2062 178.2093 144 L 4.1334 7.6391 116.0268 55.2869 41.6481 175.8766 145 R 4.5384 7.3749 119.1413 56.8330 36.2160 175.8217 146 K 4.1353 8.1381 116.0214 57.7497 32.4775 176.6612 147 T 4.5812 7.5582 113.5324 60.2691 68.6833 174.6591 148 K 4.1831 8.2649 125.8424 58.3331 32.5561 177.9612 149 K 4.2367 7.8181 117.2853 55.7421 32.8485 174.3408 150 P 4.8643 0.0000 0.0000 62.1519 33.4613 175.3763 151 V 5.0283 8.0381 112.8834 59.9507 36.1062 174.5307 152 L 4.7312 8.9669 125.4512 53.5428 44.8612 174.9910 153 I 5.0066 8.5325 127.4438 59.8446 38.8981 175.2528 154 I 4.6682 8.9302 119.7305 59.5078 41.0343 174.5715 155 K 4.3541 8.9690 124.2411 56.7638 30.1408 178.8756 156 E 4.7084 8.9202 126.2636 54.5835 33.1276 173.5914 157 V 3.9516 8.0115 121.2301 62.1690 32.6525 175.2511 158 D 4.7097 8.1547 121.6263 53.9597 42.4462 176.7633 159 E 4.2593 8.6509 119.9249 57.4446 29.7471 175.7573 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 4 M 8.30 4.49 0.00 1.81 2.09 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 5 F 7.74 5.17 0.00 3.08 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 6 R 8.59 4.00 0.00 1.94 1.99 0.00 3.24 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 7 K 7.93 4.84 0.00 1.87 1.66 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.45 7.81 8 V 8.92 4.30 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 0.79 0.00 0.00 0.84 0.00 0.00 9 L 8.74 5.28 0.00 1.80 1.47 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 10 F 9.03 5.02 0.00 3.13 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 11 P 0.00 4.68 0.00 1.69 1.77 0.00 3.32 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 12 T 8.76 4.14 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 0.22 0.00 0.00 13 D 8.55 4.29 0.00 2.79 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 14 F 7.96 4.33 0.00 3.27 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 15 S 10.76 4.36 0.00 4.29 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 16 E 9.16 4.09 0.00 2.32 2.29 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 2.46 2.47 0.00 17 G 8.36 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 18 A 7.94 4.02 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 19 Y 8.59 4.10 0.00 3.25 3.09 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 20 R 8.27 4.16 0.00 2.13 2.01 0.00 3.72 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 21 A 8.19 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.44 3.80 1.94 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 0.92 0.00 0.00 0.91 0.00 0.00 23 E 9.09 4.25 0.00 2.14 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 2.41 2.73 0.00 24 V 7.89 3.61 2.32 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 1.13 0.00 0.00 1.12 0.00 0.00 25 F 8.20 3.74 0.00 3.14 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 26 E 8.01 4.50 0.00 2.28 2.31 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 2.36 2.28 0.00 27 K 7.78 4.12 0.00 1.97 1.82 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.48 7.81 28 R 7.88 4.05 0.00 1.43 1.80 0.00 3.07 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 29 N 7.40 4.46 0.00 1.44 2.34 0.00 0.00 7.06 6.52 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 30 K 8.36 4.49 0.00 1.74 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.34 7.81 31 M 7.35 4.35 0.00 1.90 2.14 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 2.64 2.47 0.00 32 E 8.62 4.39 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 2.43 2.44 0.00 33 V 8.43 4.47 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 0.96 0.00 0.00 0.85 0.00 0.00 34 G 9.55 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 35 E 6.31 5.29 0.00 2.03 1.79 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 2.20 2.42 0.00 36 V 8.83 4.70 1.94 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 0.69 0.00 0.00 0.91 0.00 0.00 37 I 8.52 4.25 1.87 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 1.11 0.48 0.90 0.00 0.00 38 L 9.19 5.07 0.00 1.65 1.61 1.00 0.50 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 39 L 8.93 5.29 0.00 1.70 1.37 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 40 H 9.18 5.15 0.00 3.08 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.94 4.60 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 0.61 0.00 0.00 0.69 0.00 0.00 42 I 9.03 3.72 1.98 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 1.02 0.00 0.00 43 D 8.65 4.23 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 3.77 0.00 1.16 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 2.26 2.47 0.00 45 G 7.94 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 46 T 8.01 4.49 4.42 0.00 0.00 0.00 0.00 0.00 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 47 L 8.07 3.95 0.00 1.83 1.93 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.86 4.30 0.00 2.02 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 0.00 2.41 2.46 0.00 49 E 7.78 4.64 0.00 2.10 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 2.20 2.42 0.00 50 L 8.52 4.12 0.00 1.93 1.73 0.94 0.74 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 51 M 7.69 4.06 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 52 D 8.00 4.77 0.00 2.79 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 53 G 7.85 4.99 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 *65 L 7.49 4.04 0.00 1.64 1.61 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.49 4.34 0.00 1.90 1.89 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 67 D 7.38 4.94 0.00 2.59 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 68 I 7.89 3.98 1.90 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 1.55 0.90 0.93 0.00 0.00 69 K 8.45 3.79 0.00 1.96 1.60 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.28 1.45 7.81 70 E 8.23 4.01 0.00 1.99 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 2.38 2.36 0.00 71 K 7.76 4.86 0.00 2.04 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 72 L 8.81 4.12 0.00 1.96 1.76 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.03 4.11 0.00 1.89 1.81 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.56 7.81 74 E 8.21 3.93 0.00 2.25 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 2.50 2.39 0.00 75 E 8.10 3.83 0.00 2.24 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 2.27 2.29 0.00 76 A 9.10 4.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.19 3.85 0.00 4.05 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 78 R 8.28 4.06 0.00 1.97 2.01 0.00 3.10 0.00 0.00 3.07 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 79 K 7.93 3.73 0.00 1.70 1.37 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.88 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.21 1.24 7.81 80 L 8.34 4.32 0.00 2.10 1.83 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.97 4.20 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 82 E 8.36 4.33 0.00 2.01 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 0.00 2.33 2.32 0.00 83 K 8.73 5.12 0.00 1.97 2.17 0.00 1.85 0.00 0.00 2.06 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.40 7.81 84 A 7.92 4.07 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 85 E 8.07 4.03 0.00 1.99 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 2.38 2.33 0.00 86 E 8.00 3.97 0.00 2.24 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 2.45 2.45 0.00 87 V 7.48 3.28 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 0.12 0.00 0.00 0.52 0.00 0.00 88 K 7.73 3.74 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.64 7.81 89 R 7.47 4.04 0.00 2.00 2.04 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 90 A 8.20 4.22 1.58 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 91 F 8.05 5.21 0.00 2.75 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 92 R 8.43 4.84 0.00 2.11 1.95 0.00 3.50 0.00 0.00 3.51 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 93 A 7.68 5.64 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 94 K 8.77 4.23 0.00 1.70 1.90 0.00 1.71 0.00 0.00 2.09 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.46 7.81 95 N 8.02 5.09 0.00 2.67 2.65 0.00 0.00 6.71 7.68 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 96 V 8.53 4.97 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 0.72 0.00 0.00 0.89 0.00 0.00 97 R 8.58 4.81 0.00 1.89 2.03 0.00 2.71 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 98 T 8.41 5.09 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 1.23 0.00 0.00 99 I 8.81 4.62 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 1.23 0.80 0.91 0.00 0.00 100 I 8.35 5.28 1.92 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 1.28 0.11 1.02 0.00 0.00 101 R 8.27 4.72 0.00 1.86 1.64 0.00 3.17 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 102 F 9.57 4.79 0.00 3.08 2.89 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 0.00 103 G 6.77 3.83 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 0.00 0.00 0.00 104 I 7.18 4.03 1.17 0.00 0.00 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 1.47 0.91 0.34 0.00 0.00 105 P 0.00 4.02 0.00 2.09 1.86 0.00 3.47 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 106 W 7.95 4.55 0.00 3.62 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 0.00 107 D 6.05 3.64 0.00 1.58 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 0.00 0.00 0.00 108 E 8.22 4.08 0.00 1.79 1.86 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 2.24 2.31 0.00 109 I 7.49 3.61 1.89 0.00 0.00 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 1.50 0.78 0.89 0.00 0.00 110 V 7.63 3.76 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 1.22 0.00 0.00 1.13 0.00 0.00 111 K 7.73 3.94 0.00 1.95 1.78 0.00 1.72 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.68 7.81 112 V 8.28 3.56 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 0.99 0.00 0.00 0.91 0.00 0.00 113 A 8.16 4.01 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 0.00 114 E 8.46 4.04 0.00 1.99 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 2.60 2.51 0.00 115 E 8.78 3.86 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 2.36 2.59 0.00 116 E 8.82 4.11 0.00 1.99 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 2.46 2.46 0.00 117 N 8.02 3.99 0.00 2.79 2.85 0.00 0.00 7.03 7.78 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 0.00 118 V 6.94 3.67 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 0.94 0.00 0.00 0.95 0.00 0.00 119 S 9.62 4.61 0.00 3.97 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 0.00 120 L 7.48 4.67 0.00 1.86 1.62 1.07 1.32 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 0.00 121 I 8.44 5.03 1.89 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 1.24 0.65 0.90 0.00 0.00 122 I 8.72 5.41 2.15 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.99 0.00 0.00 123 L 8.29 4.70 0.00 1.54 1.52 0.80 0.96 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 0.00 124 P 0.00 4.75 0.00 2.09 2.12 0.00 3.56 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 125 S 9.25 4.15 0.00 3.93 3.90 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 0.00 126 R 7.94 4.52 0.00 1.88 1.94 0.00 3.39 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 127 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 0.00 128 K 7.68 3.75 0.00 1.97 1.85 0.00 2.00 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.70 7.81 *133 H 8.15 4.53 0.00 3.25 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.64 3.58 0.00 2.06 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 1.99 2.21 0.00 135 F 9.17 4.51 0.00 3.05 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 0.00 136 L 7.93 3.83 0.00 1.35 1.28 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.63 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 0.00 0.00 0.00 138 S 8.53 4.23 0.00 4.09 4.20 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 0.00 139 T 7.81 4.26 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 1.27 0.00 0.00 140 V 7.75 3.51 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 0.87 0.00 0.00 0.86 0.00 0.00 141 M 7.42 3.69 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 142 R 7.59 3.88 0.00 1.47 1.60 0.00 2.21 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 143 V 7.73 3.78 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 0.95 0.00 0.00 1.02 0.00 0.00 144 L 7.64 4.13 0.00 1.87 1.68 0.88 0.77 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 0.00 145 R 7.37 4.54 0.00 1.66 1.87 0.00 3.35 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 146 K 8.14 4.14 0.00 1.90 1.94 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.26 7.81 147 T 7.56 4.58 4.36 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 1.31 0.00 0.00 148 K 8.26 4.18 0.00 1.83 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 149 K 7.82 4.24 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 150 P 0.00 4.86 0.00 2.10 1.98 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 151 V 8.04 5.03 2.20 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 0.70 0.00 0.00 0.94 0.00 0.00 152 L 8.97 4.73 0.00 1.85 1.58 1.01 1.08 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 0.00 153 I 8.53 5.01 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 1.38 0.59 0.91 0.00 0.00 154 I 8.93 4.67 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 1.03 0.00 0.00 155 K 8.97 4.35 0.00 1.79 1.23 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 156 E 8.92 4.71 0.00 1.87 1.79 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 2.19 2.33 0.00 157 V 8.01 3.95 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 0.94 0.00 0.00 158 D 8.15 4.71 0.00 2.69 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 0.00 159 E 8.65 4.26 0.00 1.93 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 2.22 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.