NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3359 8.0327 110.9161 61.2778 70.4492 174.3297 3 Y 2.5101 8.3059 123.3617 60.1007 38.6505 175.2999 4 E 3.6587 8.3780 120.9601 59.2735 30.1020 178.6081 5 A 3.8913 7.8376 120.7376 54.6577 18.2457 179.5781 6 F 3.8697 7.5486 119.3968 61.3256 39.3976 177.1947 7 V 3.1421 7.1299 117.8357 66.1750 31.1125 177.6832 8 E 3.7871 7.9482 118.5034 58.7896 29.3398 178.6488 9 L 3.8172 7.5986 120.6281 57.9420 42.2357 178.7030 10 V 3.4100 7.4985 118.5121 66.3549 31.0014 177.9625 11 E 4.0625 8.2078 117.9716 59.1410 28.9719 179.4741 12 R 3.9457 7.4629 118.1939 59.3329 30.4709 178.2075 13 L 4.3057 8.2424 118.9655 57.3719 41.6911 179.0976 14 W 4.3089 8.4820 128.5145 60.6861 30.4352 177.8946 15 E 4.0447 7.9626 116.6687 58.7093 28.8813 177.5226 16 E 4.2344 7.7817 116.9031 56.2197 29.6016 176.0690 17 V 3.9743 7.2265 120.1581 60.0951 32.1524 173.7933 18 P 3.9896 0.0000 0.0000 63.1688 31.8264 177.0716 19 E 3.8274 8.8877 122.3342 59.7976 29.4599 179.2919 20 D 4.4468 8.0759 118.3101 57.4023 40.7274 178.4605 21 F 4.4323 8.3759 117.2278 59.7556 39.1582 177.5558 22 K 4.0050 8.2231 118.1459 57.3948 32.4152 177.3696 23 R 3.6015 8.3448 117.1024 57.3087 27.8656 176.1485 24 G 4.1469 8.2446 107.3325 45.7430 0.0000 174.2553 25 L 4.1367 7.9768 120.3604 55.1744 41.9106 177.2160 26 Q 4.2509 9.5554 123.4342 55.7641 29.5592 175.9654 27 G 4.0392 6.7829 106.5240 46.1738 0.0000 171.1905 28 V 4.5560 7.4082 119.7476 61.1767 33.4789 174.4398 29 H 4.8857 9.0109 124.1799 53.8527 31.8561 173.1083 30 V 4.7281 7.9407 121.1591 61.0943 33.8596 174.4101 31 F 5.1342 9.1663 126.9158 55.2619 40.9780 175.1025 32 P 4.6238 0.0000 0.0000 65.5655 32.4355 176.3661 33 E 4.4448 8.5691 118.6252 56.4318 30.3764 176.1161 34 A 4.8369 8.4003 122.9426 50.8710 21.6889 176.7994 35 K 4.3721 8.9638 120.0373 54.4462 35.0769 173.8507 36 P 4.3187 0.0000 0.0000 62.3119 32.3531 175.9198 37 E 4.1958 8.8516 125.7244 54.7782 30.5045 174.3855 38 P 4.3202 0.0000 0.0000 63.7664 31.8316 175.8682 39 G 4.0245 8.8831 110.4149 45.4105 0.0000 172.9905 40 L 4.8167 7.3885 117.2252 52.7724 45.5416 175.2522 41 E 4.3959 8.3555 118.5737 55.8239 31.8701 176.7036 42 G 3.7515 8.6649 110.5406 45.6438 0.0000 172.7467 43 V 4.3435 6.9714 118.6933 60.4143 34.4728 174.2479 44 W 5.1166 8.7195 126.6638 54.9191 31.7032 175.2325 45 R 4.3421 9.2289 124.8983 55.6161 29.7671 176.1906 46 L 4.3302 8.9110 127.2632 57.6893 43.0246 176.7387 47 G 4.9396 7.4693 102.9693 45.3528 0.0000 171.1554 48 E 5.6852 8.4056 117.0965 56.7768 33.1330 175.0959 49 Y 5.2764 8.2899 116.9245 55.0447 40.8991 174.7170 50 L 4.8120 9.6948 121.4438 54.1218 44.6332 175.4397 51 D 4.7093 8.8624 121.7511 53.5965 37.0804 170.9454 52 P 4.9181 0.0000 0.0000 62.3958 33.8779 176.9651 53 G 4.6082 8.1460 117.5293 46.4347 0.0000 172.7574 *65 G 3.7033 7.9098 107.9567 44.8871 0.0000 172.2095 66 R 4.0696 8.7748 123.2580 58.9115 29.9135 176.2759 67 H 5.0352 8.2173 115.9816 53.5021 32.2909 173.4463 68 I 4.4457 8.0505 122.3822 60.2932 39.4639 174.6476 69 A 5.2497 9.3974 126.2386 50.1971 22.5663 175.0363 70 L 5.2906 8.7272 120.4088 53.2717 45.8118 175.6001 71 Y 5.1732 9.4014 121.1833 56.7852 38.9281 175.7867 72 Y 4.0017 9.7590 126.8441 60.9939 38.9670 178.4261 73 G 3.5657 8.1181 106.1398 47.9754 0.0000 175.7159 74 S 3.9361 8.4262 117.4253 61.3603 62.7737 176.6660 75 F 3.7766 8.2150 120.0726 60.2873 38.5030 177.5087 76 L 3.7449 7.4152 117.4241 57.7617 41.4721 179.0210 77 E 3.7405 7.3513 116.9795 59.3396 29.3032 179.4172 78 V 3.5973 7.1902 116.7697 64.5935 32.0564 176.6491 79 A 2.8796 7.2152 121.2926 52.2442 18.9127 176.9408 80 G 4.0325 8.0262 108.9111 44.0863 0.0000 170.9493 81 E 4.0654 8.7754 119.9085 57.7723 29.8770 178.1460 82 G 3.9024 8.9870 112.7803 45.4151 0.0000 172.9958 83 F 3.8613 7.9090 121.6844 58.7223 39.4826 175.6170 84 D 4.5965 7.8952 128.0729 52.2945 39.9106 175.9044 85 W 4.4145 8.6164 125.5159 59.5842 29.4200 177.1722 86 E 4.0388 8.5311 118.0406 59.5090 29.1863 178.6411 87 A 4.1515 8.6700 120.9950 55.1551 18.5359 179.5067 88 E 3.9521 8.6080 117.7395 59.3918 29.4721 179.8024 89 V 4.0295 8.3799 118.4695 65.8610 31.7066 177.7089 90 W 4.4160 8.4603 128.2205 60.7405 30.4609 177.4963 91 E 3.8838 8.5403 119.0648 59.6419 28.9551 178.8656 92 T 3.9778 7.9412 115.3664 66.9741 68.4953 176.4815 93 M 4.2553 8.3578 120.6167 58.1199 32.0398 178.7932 94 L 3.8561 7.8525 119.2988 57.9751 41.6479 179.1322 95 H 4.2446 8.3654 116.2744 59.0479 28.4900 177.7409 96 E 4.2237 8.1392 120.3705 59.3827 29.3073 179.3241 97 L 4.1318 8.1850 119.2456 57.6536 41.5475 179.6505 98 R 3.8546 8.2572 118.7361 59.8134 30.0821 178.0764 99 H 4.2837 8.4629 116.3371 59.2434 28.6511 177.0948 100 H 4.0818 8.5359 119.7939 59.2759 29.8532 176.8604 101 L 3.8246 7.9096 121.9668 58.3563 41.8674 178.7849 102 E 4.0120 8.5200 118.8662 59.4876 29.4188 179.5834 103 S 4.2092 8.4226 114.4219 61.4009 62.9586 176.5206 104 L 4.0392 8.0450 121.4642 56.6789 41.3560 178.1588 105 A 4.4711 7.4645 118.6312 51.8128 19.0025 177.7746 106 G 3.9463 7.9429 106.4630 44.9734 0.0000 174.4780 107 R 3.9705 7.7132 120.0469 55.9819 30.7096 176.3064 108 D 4.5072 8.5154 123.3939 54.1349 43.0514 176.9231 109 D 4.3891 8.7404 126.1793 57.6366 40.9428 179.0731 110 L 3.9490 7.8888 118.9105 57.6236 41.6325 179.5849 111 V 3.5218 7.5630 118.1881 65.9948 31.4720 177.5301 112 Q 3.9480 8.1355 118.7546 59.5541 28.7026 178.2900 113 E 3.8986 8.3693 119.4589 59.5007 29.4457 179.0859 114 D 4.3240 8.1022 118.7605 57.4447 40.9402 178.9328 115 L 4.0077 8.0085 119.2931 57.8613 41.5394 179.7408 116 R 3.9770 8.3098 118.3933 59.2536 29.9322 179.0706 117 R 3.9765 8.1977 118.5899 59.2524 30.0263 178.2892 118 L 3.9908 7.9927 120.1153 58.2676 42.0927 178.2317 119 D 4.3411 8.6578 118.0872 57.5211 41.1369 178.2385 120 A 4.0301 8.3779 121.3771 55.0216 18.1529 179.3479 121 F 4.1068 8.2776 118.3765 61.4062 39.8795 177.0018 122 R 3.8461 8.7815 118.6815 59.6005 29.7417 178.7640 123 R 4.1258 8.2485 116.5871 58.6746 30.0642 178.9308 124 G 3.6627 7.7439 105.2238 44.7761 0.0000 174.9518 125 G 3.9772 7.0671 105.0036 44.2415 0.0000 171.3615 126 P 4.2685 0.0000 0.0000 62.8876 31.9249 177.0162 127 S 4.2551 7.8545 113.3107 57.8391 63.0976 174.1076 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 T 8.03 4.34 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 1.17 0.00 0.00 3 Y 8.31 2.51 0.00 2.86 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 4 E 8.38 3.66 0.00 2.00 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 2.39 2.46 0.00 5 A 7.84 3.89 1.21 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 0.00 0.00 0.00 0.00 0.00 6 F 7.55 3.87 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 3.14 1.91 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 0.79 0.00 0.00 0.26 0.00 0.00 8 E 7.95 3.79 0.00 1.93 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 0.00 2.23 2.38 0.00 9 L 7.60 3.82 0.00 1.82 1.60 0.95 0.85 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 10 V 7.50 3.41 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 0.76 0.00 0.00 0.01 0.00 0.00 11 E 8.21 4.06 0.00 1.98 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 2.22 2.37 0.00 12 R 7.46 3.95 0.00 1.94 2.10 0.00 3.23 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 13 L 8.24 4.31 0.00 2.04 2.25 1.24 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.48 4.31 0.00 3.48 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 15 E 7.96 4.04 0.00 2.02 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 2.57 2.53 0.00 16 E 7.78 4.23 0.00 2.26 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 2.31 2.31 0.00 17 V 7.23 3.97 1.48 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 0.26 0.00 0.00 0.68 0.00 0.00 18 P 0.00 3.99 0.00 1.51 1.68 0.00 2.94 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.72 0.00 19 E 8.89 3.83 0.00 1.93 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 2.34 2.33 0.00 20 D 8.08 4.45 0.00 2.84 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 21 F 8.38 4.43 0.00 2.85 3.02 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 22 K 8.22 4.01 0.00 1.99 1.91 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.88 1.23 7.81 23 R 8.34 3.60 0.00 2.01 2.09 0.00 3.08 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 24 G 8.24 4.15 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 0.00 25 L 7.98 4.14 0.00 1.89 1.76 1.14 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 9.56 4.25 0.00 1.61 2.00 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 2.33 2.45 0.00 27 G 6.78 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 28 V 7.41 4.56 1.60 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 0.56 0.00 0.00 -0.44 0.00 0.00 29 H 9.01 4.89 0.00 2.82 2.59 0.00 5.80 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 30 V 7.94 4.73 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 1.03 0.00 0.00 0.69 0.00 0.00 31 F 9.17 5.13 0.00 3.00 3.50 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 32 P 0.00 4.62 0.00 1.90 1.20 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 33 E 8.57 4.44 0.00 2.08 2.04 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 2.40 2.47 0.00 34 A 8.40 4.84 0.95 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 35 K 8.96 4.37 0.00 0.84 0.95 0.00 0.90 0.00 0.00 1.08 0.00 0.00 2.65 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.07 1.12 7.81 36 P 0.00 4.32 0.00 1.75 1.42 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 1.94 2.01 0.00 37 E 8.85 4.20 0.00 2.03 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 2.29 2.25 0.00 38 P 0.00 4.32 0.00 2.15 1.98 0.00 3.71 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 1.92 1.90 0.00 39 G 8.88 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 40 L 7.39 4.82 0.00 1.50 1.51 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.36 4.40 0.00 1.84 1.75 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 2.08 2.17 0.00 42 G 8.66 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 43 V 6.97 4.34 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 1.14 0.00 0.00 1.01 0.00 0.00 44 W 8.72 5.12 0.00 3.15 3.10 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 0.00 0.00 0.00 0.00 45 R 9.23 4.34 0.00 1.91 1.92 0.00 3.21 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 46 L 8.91 4.33 0.00 1.64 1.46 0.73 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.47 4.94 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 0.00 0.00 0.00 48 E 8.41 5.69 0.00 2.05 2.16 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 2.38 2.06 0.00 49 Y 8.29 5.28 0.00 3.08 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 50 L 9.69 4.81 0.00 1.80 1.68 1.16 1.21 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 51 D 8.86 4.71 0.00 2.97 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 52 P 0.00 4.92 0.00 2.30 2.40 0.00 4.02 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 53 G 8.15 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 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 66 R 8.77 4.07 0.00 1.90 2.24 0.00 3.01 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 67 H 8.22 5.04 0.00 2.88 2.89 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.05 4.45 1.48 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 1.23 0.46 0.98 0.00 0.00 69 A 9.40 5.25 1.42 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 0.00 0.00 70 L 8.73 5.29 0.00 1.70 1.92 1.00 0.88 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 71 Y 9.40 5.17 0.00 3.32 3.35 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 72 Y 9.76 4.00 0.00 3.17 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 73 G 8.12 3.57 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 0.00 0.00 0.00 74 S 8.43 3.94 0.00 4.35 3.99 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 75 F 8.22 3.78 0.00 3.13 2.96 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 0.00 0.00 0.00 76 L 7.42 3.74 0.00 1.39 1.45 0.40 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.35 3.74 0.00 1.20 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 1.68 1.47 0.00 78 V 7.19 3.60 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 0.82 0.00 0.00 0.99 0.00 0.00 79 A 7.22 2.88 -0.05 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 80 G 8.03 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 81 E 8.78 4.07 0.00 1.97 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 2.33 2.36 0.00 82 G 8.99 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 0.00 0.00 0.00 83 F 7.91 3.86 0.00 3.02 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 84 D 7.90 4.60 0.00 2.65 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 85 W 8.62 4.41 0.00 3.61 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 86 E 8.53 4.04 0.00 2.11 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 2.34 2.39 0.00 87 A 8.67 4.15 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 88 E 8.61 3.95 0.00 1.92 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 1.82 1.47 0.00 89 V 8.38 4.03 2.34 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 1.05 0.00 0.00 1.16 0.00 0.00 90 W 8.46 4.42 0.00 3.58 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 91 E 8.54 3.88 0.00 2.20 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 0.00 2.08 2.18 0.00 92 T 7.94 3.98 4.72 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 1.49 0.00 0.00 93 M 8.36 4.26 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.69 0.00 94 L 7.85 3.86 0.00 1.53 1.61 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.37 4.24 0.00 3.39 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.14 4.22 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 2.76 2.65 0.00 97 L 8.19 4.13 0.00 1.91 1.76 0.81 0.77 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 98 R 8.26 3.85 0.00 1.99 2.03 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 99 H 8.46 4.28 0.00 3.59 3.57 0.00 5.68 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 0.00 100 H 8.54 4.08 0.00 3.23 3.52 0.00 5.79 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 0.00 101 L 7.91 3.82 0.00 1.77 1.79 0.85 0.97 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 0.00 102 E 8.52 4.01 0.00 2.24 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 2.53 2.51 0.00 103 S 8.42 4.21 0.00 4.15 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 0.00 104 L 8.05 4.04 0.00 1.73 1.71 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.46 4.47 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 0.00 106 G 7.94 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 0.00 107 R 7.71 3.97 0.00 1.81 1.99 0.00 3.32 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 108 D 8.52 4.51 0.00 2.75 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 0.00 109 D 8.74 4.39 0.00 2.73 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 0.00 110 L 7.89 3.95 0.00 1.68 1.70 0.91 0.83 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 0.00 111 V 7.56 3.52 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 1.00 0.00 0.00 0.93 0.00 0.00 112 Q 8.14 3.95 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 113 E 8.37 3.90 0.00 2.10 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 0.00 2.48 2.46 0.00 114 D 8.10 4.32 0.00 2.89 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 0.00 115 L 8.01 4.01 0.00 1.92 1.78 0.96 0.79 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 0.00 116 R 8.31 3.98 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 117 R 8.20 3.98 0.00 1.93 2.07 0.00 3.02 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 118 L 7.99 3.99 0.00 1.82 1.86 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.66 4.34 0.00 2.92 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 0.00 120 A 8.38 4.03 1.42 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 0.00 0.00 121 F 8.28 4.11 0.00 3.04 3.38 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 0.00 122 R 8.78 3.85 0.00 1.99 2.10 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 123 R 8.25 4.13 0.00 1.80 1.98 0.00 3.41 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 124 G 7.74 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 0.00 0.00 0.00 125 G 7.07 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 0.00 126 P 0.00 4.27 0.00 2.02 1.99 0.00 3.66 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 2.00 2.03 0.00 127 S 7.85 4.26 0.00 4.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.