NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1958 8.1127 119.7070 56.9525 30.2411 174.4216 3 V 3.3649 8.3001 122.4228 61.6332 29.9738 171.5026 4 K 4.5789 8.3183 117.7821 55.7568 34.8179 175.8906 5 M 4.3817 7.9474 119.4826 55.5067 32.3557 174.8144 6 H 5.0391 8.6046 115.7111 54.2790 31.7792 174.9716 7 V 3.4416 7.8936 119.7118 65.1641 31.8114 175.1718 8 K 4.8314 7.2477 116.2202 54.3866 36.4135 175.7116 9 K 4.3551 7.7750 122.7754 56.3220 33.4685 179.6740 10 G 4.1630 8.6479 110.6539 46.1578 0.0000 171.1472 11 D 5.0225 7.4157 123.5468 53.4474 44.0088 176.3682 12 T 5.0422 8.1839 113.2635 61.7970 71.6145 173.8844 13 V 4.7795 8.6234 123.7647 60.2692 35.5368 173.9267 14 L 4.5925 8.9415 124.4883 54.5784 44.2301 175.6233 15 V 4.8698 8.1536 121.7061 60.7210 32.1004 174.6342 16 A 4.6436 8.4779 124.0529 50.6743 18.7359 179.0077 17 S 4.6060 8.2494 108.4665 58.9293 62.5694 174.2456 18 G 3.8387 8.7714 104.2960 45.7122 0.0000 173.1664 19 K 4.1163 9.0016 125.4134 58.1175 33.1546 176.0086 20 Y 4.5516 7.5178 114.1166 57.5480 39.0728 175.2016 21 K 3.6349 8.0897 120.8693 57.8498 32.3162 173.7444 22 G 3.8564 9.6639 121.1096 46.1463 0.0000 173.5914 23 R 4.3083 8.6613 119.9768 57.0541 34.3460 177.2038 24 V 3.2617 7.7276 114.1265 63.4225 30.1114 173.4977 25 G 4.2687 8.4555 118.7802 43.8113 0.0000 173.5396 26 K 4.5546 8.5589 123.0427 56.6851 32.9375 175.9821 27 V 3.5906 7.5443 115.2860 62.4900 33.5731 177.1100 28 K 4.5838 8.4163 121.5173 55.3164 33.7569 176.1088 29 E 3.4488 8.1492 111.4821 57.4300 25.9587 174.8056 30 V 3.9575 7.6857 122.8274 62.1607 32.2662 174.8776 31 L 4.0631 7.7144 125.2805 54.5084 41.6150 175.4897 32 P 4.8662 0.0000 0.0000 62.7055 32.5843 177.4758 33 K 3.8771 8.2808 119.7749 60.1014 31.8540 178.1262 34 K 4.1105 8.0408 114.2806 56.4545 33.0272 175.6976 35 Y 3.5146 8.4230 120.2069 58.4512 37.2999 167.0909 36 A 5.0466 7.2111 120.8560 50.9118 24.1267 175.3472 37 V 4.5454 8.3642 111.3754 61.1667 35.1102 176.1682 38 I 4.3058 8.2643 118.6053 61.8340 43.6259 178.4624 39 V 3.2904 7.9712 119.3858 62.8490 31.3869 173.5684 40 E 4.6568 8.7558 113.2847 56.4488 32.2936 175.1763 41 G 3.6970 7.3807 109.6845 46.6978 0.0000 174.7654 42 V 2.6343 5.4500 111.8525 63.9033 29.3094 174.1317 43 N 4.9209 7.7098 121.1554 52.8583 40.1329 175.1410 44 I 4.6655 7.7567 118.4312 60.1558 42.5245 174.4257 45 V 4.1223 8.3939 124.5861 62.0299 31.6807 175.6922 46 K 4.3219 9.9224 132.2906 54.1900 32.5126 175.2886 47 K 2.7132 8.4181 125.3755 56.5284 32.4031 176.2269 48 A 4.6828 6.8198 124.6780 50.6068 21.9970 175.1059 49 V 4.2907 8.1384 113.3328 62.6272 36.6326 174.2292 50 R 4.3406 8.2854 118.5210 56.6758 27.5612 175.9803 51 V 3.9457 8.2014 114.0195 62.1825 31.5753 176.5385 52 S 4.6429 7.9274 114.3448 55.9341 65.5025 171.5911 53 P 4.2790 0.0000 0.0000 65.5955 31.1164 176.5131 54 K 3.3267 7.9202 116.5735 56.5018 32.0797 176.0567 55 Y 3.5786 8.3896 111.1308 58.2097 35.8423 171.0418 56 P 3.3354 0.0000 0.0000 63.8485 32.4856 179.2137 57 Q 4.7117 8.1772 125.8982 55.1464 31.9047 174.9908 58 G 3.9334 8.9410 102.7117 45.6742 0.0000 171.2950 59 G 4.3856 7.6944 102.9578 44.7757 0.0000 172.6523 60 F 4.7667 8.9264 113.5775 57.9169 41.8350 177.5637 61 I 4.2465 8.0226 119.1884 61.6715 38.3075 180.2140 62 E 3.4146 7.6969 116.0799 56.5452 31.0120 176.9765 63 K 5.0263 7.0127 121.1081 55.2168 36.7525 175.3203 64 E 4.6159 8.3559 117.9133 55.0455 30.9741 176.0939 65 A 4.2579 9.5282 124.4129 51.1626 19.2305 176.7191 66 P 4.5792 0.0000 0.0000 65.2225 31.6440 172.9214 67 L 3.6510 7.9261 130.5400 53.3872 42.5929 172.6481 68 H 4.1989 8.9009 124.6453 56.6592 29.9088 175.3609 69 A 3.7475 8.2062 130.5329 54.5814 18.1337 178.2380 70 S 4.3885 8.1202 110.0643 60.5973 62.5751 175.6318 71 K 4.2544 8.5272 118.8216 57.7273 31.8628 176.4121 72 V 4.7308 7.1789 111.5400 59.6060 35.1562 175.6256 73 R 4.6782 8.6261 121.4521 53.8286 34.0244 173.4226 74 P 4.9597 0.0000 0.0000 63.3726 32.1053 175.1359 75 I 4.8141 7.4355 111.7063 60.1209 40.8313 173.7721 76 C 4.5372 8.9265 119.6162 60.0326 34.2735 172.0655 77 P 4.0669 0.0000 0.0000 62.5399 29.4821 172.1047 78 A 4.9522 6.5537 131.1945 50.9953 17.6395 180.4084 79 C 4.4124 8.8224 117.9031 62.8561 32.7076 174.7092 80 G 3.4634 8.7573 105.9938 43.9669 0.0000 174.5867 81 K 3.8820 9.1122 135.0000 54.6764 31.7136 174.9209 82 P 4.7306 0.0000 0.0000 61.8895 30.7624 176.1482 83 T 4.5153 8.0941 116.4489 62.5277 70.3635 173.3847 84 R 4.7818 9.1930 127.5760 54.4871 34.1510 174.7316 85 V 4.8004 8.1895 112.2017 59.7978 34.6582 175.5072 86 R 4.7029 8.8871 125.9624 54.4173 31.1394 177.3436 87 K 4.1402 8.7832 124.3312 57.7324 34.4124 178.6418 88 K 3.9326 7.9794 117.1162 57.3066 30.2896 176.7061 89 F 5.1986 8.1261 125.9442 58.2982 39.4400 173.2389 90 L 4.8515 6.7889 129.0741 55.2632 42.7856 173.1069 91 E 4.8611 7.8561 119.1354 55.7258 31.8550 175.1041 92 N 4.7308 8.5534 120.2567 54.3107 40.4195 175.0666 93 G 4.3166 8.6956 114.0668 43.7526 0.0000 171.3322 94 K 4.5593 8.5115 121.6072 56.3523 33.8466 176.0984 95 K 4.8736 9.4453 124.8368 54.9417 35.4358 175.9175 96 I 4.3578 8.5665 128.3354 60.5509 38.3457 176.0901 97 R 3.8031 8.5632 120.7225 57.8784 29.7742 177.4044 98 V 3.3593 8.3519 118.6092 62.6744 30.5142 171.4583 99 C 4.6261 6.6101 129.4896 58.5540 34.8055 176.4727 100 A 4.7038 10.0907 135.0000 53.1464 19.6395 178.7762 101 K 3.7350 8.0362 127.6726 56.5031 32.4648 176.1458 *102 C 4.3630 8.5664 113.6686 58.3663 28.5244 169.4021 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 R 8.11 4.20 0.00 1.86 1.97 0.00 3.41 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 3 V 8.30 3.36 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 0.72 0.00 0.00 0.92 0.00 0.00 4 K 8.32 4.58 0.00 1.99 1.83 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.53 7.81 5 M 7.95 4.38 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 6 H 8.60 5.04 0.00 3.27 3.60 0.00 5.51 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.89 3.44 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 0.81 0.00 0.00 0.95 0.00 0.00 8 K 7.25 4.83 0.00 1.61 1.61 0.00 1.48 0.00 0.00 1.54 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.35 7.81 9 K 7.77 4.36 0.00 2.02 1.38 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.35 7.81 10 G 8.65 4.16 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 0.00 0.00 0.00 11 D 7.42 5.02 0.00 2.74 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 12 T 8.18 5.04 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 1.25 0.00 0.00 13 V 8.62 4.78 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 0.73 0.00 0.00 1.00 0.00 0.00 14 L 8.94 4.59 0.00 1.75 1.71 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.15 4.87 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 1.06 0.00 0.00 0.93 0.00 0.00 16 A 8.48 4.64 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 17 S 8.25 4.61 0.00 4.03 3.53 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 18 G 8.77 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 0.00 0.00 0.00 19 K 9.00 4.12 0.00 1.83 2.16 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.20 1.44 7.81 20 Y 7.52 4.55 0.00 2.97 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 21 K 8.09 3.63 0.00 1.89 1.78 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 G 9.66 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 23 R 8.66 4.31 0.00 1.94 1.98 0.00 3.41 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 V 7.73 3.26 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 0.75 0.00 0.00 0.94 0.00 0.00 25 G 8.46 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 0.00 0.00 0.00 0.00 26 K 8.56 4.55 0.00 1.72 1.69 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.41 7.81 27 V 7.54 3.59 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 1.16 0.00 0.00 0.94 0.00 0.00 28 K 8.42 4.58 0.00 1.78 1.80 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.36 1.66 7.81 29 E 8.15 3.45 0.00 1.98 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 2.22 2.32 0.00 30 V 7.69 3.96 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 0.88 0.00 0.00 0.85 0.00 0.00 31 L 7.71 4.06 0.00 1.66 1.59 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.87 0.00 2.12 2.15 0.00 3.72 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 1.97 1.92 0.00 33 K 8.28 3.88 0.00 1.78 1.95 0.00 1.74 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 1.46 1.49 7.81 34 K 8.04 4.11 0.00 1.77 1.88 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.43 7.81 35 Y 8.42 3.51 0.00 3.08 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 A 7.21 5.05 1.16 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 0.00 0.00 37 V 8.36 4.55 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 0.67 0.00 0.00 0.95 0.00 0.00 38 I 8.26 4.31 2.16 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 1.08 0.53 0.94 0.00 0.00 39 V 7.97 3.29 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 0.94 0.00 0.00 0.87 0.00 0.00 40 E 8.76 4.66 0.00 1.94 1.87 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 2.20 2.24 0.00 41 G 7.38 3.70 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 0.00 0.00 0.00 42 V 5.45 2.63 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 0.88 0.00 0.00 0.49 0.00 0.00 43 N 7.71 4.92 0.00 2.84 2.75 0.00 0.00 6.63 7.33 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 44 I 7.76 4.67 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 1.15 1.09 0.94 0.00 0.00 45 V 8.39 4.12 2.17 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 1.01 0.00 0.00 1.01 0.00 0.00 46 K 9.92 4.32 0.00 1.84 1.63 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.35 7.81 47 K 8.42 2.71 0.00 1.58 1.46 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 48 A 6.82 4.68 1.08 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 49 V 8.14 4.29 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 0.80 0.00 0.00 0.89 0.00 0.00 50 R 8.29 4.34 0.00 2.02 2.52 0.00 3.81 0.00 0.00 3.43 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.87 0.00 51 V 8.20 3.95 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 0.65 0.00 0.00 0.96 0.00 0.00 52 S 7.93 4.64 0.00 3.99 4.16 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 53 P 0.00 4.28 0.00 2.00 2.09 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 54 K 7.92 3.33 0.00 1.25 0.74 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.60 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.04 7.81 55 Y 8.39 3.58 0.00 3.12 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 56 P 0.00 3.34 0.00 2.14 1.94 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 57 Q 8.18 4.71 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 58 G 8.94 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 59 G 7.69 4.39 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 0.00 0.00 0.00 60 F 8.93 4.77 0.00 3.00 3.06 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 0.00 0.00 0.00 0.00 61 I 8.02 4.25 1.93 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 1.46 1.80 0.95 0.00 0.00 62 E 7.70 3.41 0.00 2.18 1.88 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 2.30 2.36 0.00 63 K 7.01 5.03 0.00 1.77 1.67 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.35 7.81 64 E 8.36 4.62 0.00 1.85 2.25 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 2.21 2.41 0.00 65 A 9.53 4.26 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 66 P 0.00 4.58 0.00 2.17 2.17 0.00 3.43 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 67 L 7.93 3.65 0.00 1.83 1.66 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.90 4.20 0.00 3.23 3.23 0.00 5.75 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 69 A 8.21 3.75 0.48 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 70 S 8.12 4.39 0.00 4.13 4.11 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 0.00 0.00 0.00 0.00 71 K 8.53 4.25 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.60 7.81 72 V 7.18 4.73 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 0.64 0.00 0.00 0.88 0.00 0.00 73 R 8.63 4.68 0.00 1.72 1.77 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 74 P 0.00 4.96 0.00 2.06 2.04 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 75 I 7.44 4.81 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 1.25 0.54 1.00 0.00 0.00 76 C 8.93 4.54 0.00 2.89 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 77 P 0.00 4.07 0.00 2.15 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 78 A 6.55 4.95 1.02 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 79 C 8.82 4.41 0.00 3.04 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 80 G 8.76 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 0.00 0.00 0.00 81 K 9.11 3.88 0.00 2.00 1.88 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.57 7.81 82 P 0.00 4.73 0.00 2.04 1.87 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 83 T 8.09 4.52 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 1.21 0.00 0.00 84 R 9.19 4.78 0.00 1.83 1.82 0.00 3.12 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 85 V 8.19 4.80 2.30 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 0.70 0.00 0.00 0.94 0.00 0.00 86 R 8.89 4.70 0.00 1.86 1.77 0.00 3.10 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 87 K 8.78 4.14 0.00 2.03 2.08 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 88 K 7.98 3.93 0.00 1.97 1.10 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.50 7.81 89 F 8.13 5.20 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 90 L 6.79 4.85 0.00 1.91 1.60 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.86 4.86 0.00 1.95 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 2.19 2.20 0.00 92 N 8.55 4.73 0.00 2.68 2.71 0.00 0.00 6.60 7.98 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 93 G 8.70 4.32 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 0.00 94 K 8.51 4.56 0.00 1.73 1.74 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.44 7.81 95 K 9.45 4.87 0.00 1.70 1.60 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.56 7.81 96 I 8.57 4.36 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 1.40 0.77 0.96 0.00 0.00 97 R 8.56 3.80 0.00 1.92 1.96 0.00 3.17 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 98 V 8.35 3.36 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 0.79 0.00 0.00 0.93 0.00 0.00 99 C 6.61 4.63 0.00 2.94 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 0.00 0.00 0.00 0.00 100 A 10.09 4.70 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 0.00 101 K 8.04 3.73 0.00 1.91 1.87 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.37 7.81 *102 C 8.57 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.