NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2550 8.2649 123.5829 52.1472 19.7841 177.5637 2 D 4.3326 7.8527 123.7226 56.3715 41.7336 177.5245 3 D 4.1908 8.4571 119.3331 56.8030 42.0724 175.3304 4 A 4.4588 7.3029 118.9988 51.5067 17.3012 176.1839 5 K 4.2472 8.3448 120.2029 54.6389 34.8366 174.1890 6 P 4.0159 0.0000 0.0000 62.6151 32.0561 176.2181 7 R 4.5681 9.3797 124.2290 54.2845 33.2576 174.8013 8 V 4.6010 8.3362 123.4050 60.8011 34.6041 174.1887 9 K 4.6210 9.0178 130.0973 54.7739 33.7484 175.2186 10 V 4.7475 8.0412 125.8145 59.6244 34.1678 172.5694 11 P 4.4334 0.0000 0.0000 62.7194 31.9451 176.9200 12 S 4.5740 8.6920 116.5088 60.9131 64.1112 173.6678 13 S 5.7840 8.1153 112.6438 57.4609 65.8165 173.0356 14 A 4.8195 8.3335 121.1876 49.9793 23.2830 175.4058 15 K 4.2003 9.7172 120.7945 55.6756 32.9244 176.6445 16 A 4.3221 8.4763 128.4036 53.8993 18.6621 178.0374 17 G 4.0815 8.8448 109.4145 44.9833 0.0000 173.6912 18 E 4.2429 8.0477 121.1921 56.3275 31.1495 175.3981 19 T 4.9891 8.3850 121.1255 62.3011 70.0961 174.4412 20 V 4.5246 8.5300 119.7314 59.6412 34.8256 175.2235 21 T 4.5845 8.5599 121.9378 63.4022 69.4214 173.9833 22 V 4.2460 8.5763 126.3859 60.8119 34.2918 174.3446 23 K 4.5644 8.6686 126.3633 54.4525 35.2871 174.8598 24 A 5.0849 8.8092 127.5145 49.9123 21.8421 174.4985 25 L 5.3226 9.5333 124.2114 53.4186 46.3186 175.0371 26 I 4.7856 8.1555 123.6479 59.1161 42.2219 173.7088 27 S 4.8906 7.7856 122.8602 57.9339 64.5724 172.5407 28 H 4.6467 9.2906 122.0844 55.2169 33.8066 173.0492 29 K 4.0497 8.7499 124.1062 57.0137 31.2067 179.4551 *31 E 4.0786 9.2641 134.5222 56.4956 30.2183 175.1729 32 S 4.0384 8.8112 121.9522 61.6299 63.1741 175.4340 33 G 4.3395 8.7322 105.8284 43.6184 0.0000 175.4367 34 Q 3.2446 8.7354 122.5866 56.8269 29.0490 175.3224 *42 L 4.2696 8.9646 109.5194 54.5285 43.7203 176.1245 43 I 4.1205 8.4927 125.0004 59.7460 37.8410 173.7915 44 P 4.6003 0.0000 0.0000 62.5001 31.9709 176.2719 45 R 4.1651 8.5106 123.3874 57.1379 30.8129 176.5143 46 S 4.7180 9.2542 121.9966 57.4210 64.2261 172.6263 47 I 4.8610 9.5490 120.4716 58.4198 41.5572 174.8804 48 I 4.4623 8.3155 124.0197 61.5299 37.4518 175.8099 49 N 5.2303 9.3093 122.0910 52.1526 39.0389 174.2587 50 R 5.1214 7.8184 119.1197 55.4703 33.9418 172.9747 51 F 5.4761 9.1609 127.8081 56.5816 42.8413 173.5484 52 T 4.5132 8.1564 115.1750 59.7343 72.5142 172.2351 53 C 4.8349 8.1857 122.9354 57.5013 34.8480 172.5470 54 E 5.0476 9.0155 123.5700 54.3280 33.5003 174.3925 55 L 4.6180 8.5576 122.3851 53.4837 45.3108 176.1675 56 N 4.1812 9.7279 124.9420 54.2996 36.6730 176.1697 57 G 3.9817 8.4742 105.0719 45.1255 0.0000 173.9598 58 V 4.2343 7.3205 120.1789 60.4209 33.2650 174.4006 59 N 4.5462 8.5635 125.8661 53.8686 39.5251 173.9047 60 V 4.1212 8.5073 126.3400 64.5482 32.3399 176.0877 61 V 4.4093 7.0194 111.9779 59.5595 36.4327 173.5252 62 D 4.7812 8.3300 121.6840 52.7147 43.9067 174.4579 63 V 4.2761 8.8384 126.7923 60.9004 33.8064 174.1719 64 A 4.6924 8.5453 130.0119 51.2977 19.7431 176.1664 65 I 4.5614 8.7425 123.8985 59.6795 40.0077 175.2374 66 D 5.0474 8.5885 125.8754 51.6325 43.4477 175.4207 67 P 4.4018 0.0000 0.0000 64.7054 31.2658 177.4152 68 A 4.2825 7.8386 119.8368 52.7968 19.0150 177.8421 69 V 3.8342 7.6027 116.9021 62.0334 32.1609 176.1271 70 S 4.3155 8.4546 120.9190 58.0875 63.4813 173.9594 71 T 3.7139 8.4128 117.3040 65.7747 68.8874 173.7504 72 N 4.6682 8.6998 121.8980 52.2377 36.0308 172.0732 73 P 4.2522 0.0000 0.0000 62.9948 33.1708 175.4551 74 Y 4.8668 7.8674 123.8818 55.7001 41.6719 174.3769 75 F 4.8729 8.4346 124.6061 55.4916 43.0100 173.4878 76 E 5.3624 8.8729 122.9924 53.4663 32.5816 174.3409 77 F 4.9294 7.5890 119.3828 56.5567 41.5172 171.8632 78 D 5.4856 8.9931 118.0144 52.5437 43.4401 175.5974 79 A 4.9131 9.1445 125.3748 50.1497 22.2039 175.3950 80 K 4.5890 8.6776 122.0903 55.1623 33.4358 176.2366 81 V 4.1619 8.7404 129.6723 61.7666 31.9817 175.5431 82 D 4.5788 8.6600 128.2727 55.2630 41.8540 176.5849 83 A 4.7142 7.4907 118.9122 49.7984 22.2414 175.1839 84 A 4.1444 8.5672 121.4415 52.8411 19.0946 177.6237 85 G 3.8864 8.0979 106.1552 46.6599 0.0000 171.2129 86 E 5.1473 7.9513 118.5244 54.6706 31.9883 175.6985 87 F 4.8057 9.4660 123.4021 56.7338 40.8066 174.4785 88 K 4.8967 8.9353 124.7731 54.6005 34.8437 174.4155 89 F 4.9627 9.5203 126.6333 55.9500 41.6000 174.6909 90 T 5.0672 8.4302 120.4436 61.4378 71.9659 172.9039 91 W 5.4530 9.8473 126.0991 55.1869 32.5050 174.1233 92 Y 4.8966 9.4461 122.3773 56.3056 40.0327 174.2539 93 D 5.2569 8.9727 124.6508 52.7711 42.8437 176.8650 94 D 4.5342 9.2681 126.0016 57.7960 40.9796 177.8676 95 D 4.4936 8.9371 116.2068 54.2077 39.4883 177.0492 96 G 4.0293 8.1862 109.3317 45.2867 0.0000 174.3887 97 S 4.2507 8.6887 116.4539 58.6393 64.0090 173.5315 98 V 4.3935 7.8553 121.4528 61.1186 34.5108 174.0916 99 Y 4.9989 8.6717 124.3233 56.2220 40.8314 174.2734 100 E 5.4134 9.1054 124.1779 54.5422 33.2260 174.1246 101 D 5.0228 9.7165 125.5317 52.6901 44.7993 173.8817 102 V 5.1225 8.7465 125.3941 61.1243 34.1048 174.6263 103 K 4.8539 9.2877 128.7302 54.5039 35.6466 173.6431 104 P 5.0953 0.0000 0.0000 62.5917 33.0004 175.1508 105 I 4.9215 9.4379 121.5037 59.3137 41.3273 173.9277 106 A 5.0410 8.9639 130.2260 50.7978 21.3627 176.8676 107 V 4.7785 9.4266 110.4407 60.3579 34.0680 176.0221 108 A 4.1016 7.8867 124.8319 53.0457 18.9323 176.0325 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 A 8.26 4.26 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 2 D 7.85 4.33 0.00 2.77 2.70 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 3 D 8.46 4.19 0.00 2.54 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 4 A 7.30 4.46 0.31 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 5 K 8.34 4.25 0.00 1.76 1.82 0.00 1.12 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.27 7.81 6 P 0.00 4.02 0.00 1.96 1.86 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.86 0.00 7 R 9.38 4.57 0.00 1.61 1.75 0.00 3.00 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 8 V 8.34 4.60 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 0.15 0.00 0.00 0.43 0.00 0.00 9 K 9.02 4.62 0.00 1.79 1.61 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.34 7.81 10 V 8.04 4.75 1.85 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 0.70 0.00 0.00 0.66 0.00 0.00 11 P 0.00 4.43 0.00 2.20 2.06 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 12 S 8.69 4.57 0.00 3.94 4.17 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 13 S 8.12 5.78 0.00 3.91 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 14 A 8.33 4.82 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 15 K 9.72 4.20 0.00 1.87 1.70 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 16 A 8.48 4.32 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 17 G 8.84 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 18 E 8.05 4.24 0.00 2.26 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 2.33 2.31 0.00 19 T 8.39 4.99 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 1.25 0.00 0.00 20 V 8.53 4.52 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 0.84 0.00 0.00 1.10 0.00 0.00 21 T 8.56 4.58 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 1.22 0.00 0.00 22 V 8.58 4.25 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 0.84 0.00 0.00 0.68 0.00 0.00 23 K 8.67 4.56 0.00 1.66 1.71 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.26 7.81 24 A 8.81 5.08 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 25 L 9.53 5.32 0.00 1.84 1.64 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.16 4.79 0.56 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.68 0.52 0.00 0.00 27 S 7.79 4.89 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 28 H 9.29 4.65 0.00 3.11 3.09 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.75 4.05 0.00 1.72 1.17 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 *31 E 9.26 4.08 0.00 2.09 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 2.35 2.45 0.00 32 S 8.81 4.04 0.00 4.04 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 33 G 8.73 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 34 Q 8.74 3.24 0.00 2.16 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.34 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 *42 L 8.96 4.27 0.00 1.71 1.65 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.49 4.12 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 1.30 0.97 0.92 0.00 0.00 44 P 0.00 4.60 0.00 1.95 2.01 0.00 3.70 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 2.04 2.11 0.00 45 R 8.51 4.17 0.00 1.99 1.87 0.00 3.27 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 46 S 9.25 4.72 0.00 3.86 3.77 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 47 I 9.55 4.86 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 1.01 0.00 0.00 48 I 8.32 4.46 2.02 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 1.80 0.50 1.43 0.00 0.00 49 N 9.31 5.23 0.00 2.75 3.23 0.00 0.00 6.27 7.42 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 50 R 7.82 5.12 0.00 1.82 1.80 0.00 2.77 0.00 0.00 2.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 51 F 9.16 5.48 0.00 3.06 2.42 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 0.00 52 T 8.16 4.51 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 1.13 0.00 0.00 53 C 8.19 4.83 0.00 2.81 2.35 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 54 E 9.02 5.05 0.00 1.95 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 2.00 2.08 0.00 55 L 8.56 4.62 0.00 1.40 1.35 -0.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.73 4.18 0.00 2.86 2.76 0.00 0.00 6.64 7.31 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 57 G 8.47 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 0.00 0.00 0.00 58 V 7.32 4.23 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 0.87 0.00 0.00 0.93 0.00 0.00 59 N 8.56 4.55 0.00 2.62 2.61 0.00 0.00 7.01 7.71 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 60 V 8.51 4.12 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 1.02 0.00 0.00 1.04 0.00 0.00 61 V 7.02 4.41 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 0.45 0.00 0.00 -0.18 0.00 0.00 62 D 8.33 4.78 0.00 2.44 2.36 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 63 V 8.84 4.28 1.66 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 0.59 0.00 0.00 0.61 0.00 0.00 64 A 8.55 4.69 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 65 I 8.74 4.56 2.03 0.00 0.00 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 1.49 0.95 1.20 0.00 0.00 66 D 8.59 5.05 0.00 2.80 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 67 P 0.00 4.40 0.00 2.07 2.27 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 68 A 7.84 4.28 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 69 V 7.60 3.83 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 0.88 0.00 0.00 1.11 0.00 0.00 70 S 8.45 4.32 0.00 3.99 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 71 T 8.41 3.71 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 1.24 0.00 0.00 72 N 8.70 4.67 0.00 2.79 2.85 0.00 0.00 6.97 8.62 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 73 P 0.00 4.25 0.00 2.17 2.00 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 74 Y 7.87 4.87 0.00 2.72 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 75 F 8.43 4.87 0.00 2.79 2.95 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 76 E 8.87 5.36 0.00 1.68 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 2.14 2.11 0.00 77 F 7.59 4.93 0.00 3.23 3.17 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 78 D 8.99 5.49 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.14 4.91 1.54 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 0.00 0.00 80 K 8.68 4.59 0.00 1.79 1.77 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.62 7.81 81 V 8.74 4.16 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 1.05 0.00 0.00 1.06 0.00 0.00 82 D 8.66 4.58 0.00 2.72 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 83 A 7.49 4.71 1.15 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 0.00 0.00 84 A 8.57 4.14 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 85 G 8.10 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 86 E 7.95 5.15 0.00 1.84 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 2.28 2.24 0.00 87 F 9.47 4.81 0.00 3.27 2.35 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 88 K 8.94 4.90 0.00 1.71 1.50 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.39 7.81 89 F 9.52 4.96 0.00 3.08 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 90 T 8.43 5.07 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 0.63 0.00 0.00 91 W 9.85 5.45 0.00 3.55 3.26 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 92 Y 9.45 4.90 0.00 2.95 2.88 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 93 D 8.97 5.26 0.00 2.84 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 94 D 9.27 4.53 0.00 2.73 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 95 D 8.94 4.49 0.00 2.76 2.85 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 96 G 8.19 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 97 S 8.69 4.25 0.00 3.65 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 98 V 7.86 4.39 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 0.61 0.00 0.00 0.57 0.00 0.00 99 Y 8.67 5.00 0.00 3.10 2.82 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 0.00 100 E 9.11 5.41 0.00 1.97 1.85 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 2.28 2.33 0.00 101 D 9.72 5.02 0.00 3.17 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 0.00 102 V 8.75 5.12 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 0.99 0.00 0.00 1.01 0.00 0.00 103 K 9.29 4.85 0.00 2.08 1.94 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.51 7.81 104 P 0.00 5.10 0.00 2.16 2.17 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 105 I 9.44 4.92 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.64 0.85 0.00 0.00 106 A 8.96 5.04 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 0.00 107 V 9.43 4.78 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 0.88 0.00 0.00 0.92 0.00 0.00 108 A 7.89 4.10 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 * Residues marked with a * may have inaccurate shift predictions.