NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 3.9786 8.1801 120.9539 55.5039 41.6804 175.1846 2 A 4.0406 7.4674 120.6372 49.7421 22.5059 173.3482 3 W 5.4582 9.4492 116.3519 55.7135 34.5476 173.3557 4 L 4.9696 9.2929 122.3935 53.0979 42.8213 178.0374 5 I 3.8850 8.7426 121.6499 64.6239 38.3132 177.8063 6 S 4.2051 8.3160 114.1373 61.3251 62.2625 175.7536 7 E 4.1994 8.2704 120.7408 59.0371 29.2879 178.8046 8 F 3.9285 8.6982 121.0191 60.8759 39.3721 177.0214 9 A 3.7503 7.8736 120.1337 55.0942 17.8812 179.9191 10 S 3.8989 7.2741 111.3315 61.6598 63.0853 176.4559 11 V 3.6897 7.3897 119.7317 64.5772 31.1724 176.1795 12 G 3.3744 6.9051 109.9710 43.8549 0.0000 173.1540 13 D 4.4620 8.3399 130.1366 54.4723 40.2583 175.0124 14 V 4.4235 7.6350 111.9836 59.3336 36.2097 175.5650 15 T 4.6097 7.7832 109.5968 59.9732 72.6450 174.9457 16 V 3.6063 8.0614 119.9575 65.8831 31.4507 177.9538 17 R 3.8691 7.9834 117.2507 59.2682 29.9312 178.3547 18 A 3.7347 7.9539 120.3236 55.3768 18.3293 179.7125 19 L 3.9262 7.8557 117.1657 57.9208 41.6574 180.0913 20 R 4.0303 8.4849 118.5388 59.2852 29.9408 178.3528 21 Y 4.1663 8.3099 119.6268 61.1738 38.7905 177.8626 22 Y 4.3152 8.3429 117.9838 61.0799 38.0131 178.2854 23 D 4.8214 8.3219 120.4104 56.6656 41.1854 178.0860 24 K 3.9598 8.3198 119.4506 59.4869 32.3531 178.1060 25 I 3.9466 7.4338 109.5824 60.2894 37.5584 174.8761 26 N 4.1816 7.6212 116.6982 54.8841 37.7943 174.9423 27 L 4.0830 8.0434 120.1211 56.4823 42.7294 176.5677 28 L 4.3420 7.6561 120.2460 54.2541 43.8562 173.5607 29 K 4.9118 8.4288 125.8413 53.3784 34.7794 174.5399 30 P 4.1086 0.0000 0.0000 62.8737 31.4218 176.9819 31 S 4.1294 8.2147 116.9860 60.4916 63.3218 172.9300 32 D 4.5866 7.2276 118.5540 53.2740 44.3397 172.8574 33 Y 5.1411 7.8831 115.5515 56.9173 41.9687 174.9308 34 T 4.4650 8.5965 112.9482 60.4424 70.4198 175.8065 35 E 4.0858 8.8361 122.1797 59.5518 29.5897 179.2012 36 G 3.6151 8.0005 106.5521 47.2020 0.0000 174.0305 37 G 3.9005 8.5299 108.3948 45.7005 0.0000 172.7826 38 H 5.1235 7.9860 115.7904 53.4349 31.8608 174.8104 39 R 4.2032 8.6115 119.7621 56.4744 31.4067 175.6916 40 L 4.6396 7.8124 123.9993 53.6250 45.2842 174.6922 41 Y 4.4913 9.2621 125.4268 57.7555 39.4813 175.8534 42 T 4.6024 9.9257 121.4406 62.2489 70.5192 176.0272 43 K 4.5414 8.7573 122.7407 59.7160 32.1057 178.6229 44 D 4.6644 8.2587 119.2161 57.4507 40.8830 178.0345 45 D 4.5142 8.1987 118.9889 57.4365 40.9223 178.2750 46 L 4.1357 8.4077 120.7741 58.6518 41.9250 178.7809 47 Y 4.1902 7.8017 116.5954 60.8581 37.7854 178.1339 48 V 3.9267 8.1767 120.7222 65.3471 31.6108 177.7713 49 L 3.9601 8.5024 120.4760 58.2838 41.8733 178.6415 50 Q 3.9768 8.0288 119.4219 59.4003 28.7285 178.4728 51 Q 4.1928 8.3410 119.0627 58.9882 28.2374 178.7106 52 I 3.8122 8.0396 121.1092 64.4600 37.0953 178.2561 53 Q 4.1068 8.5148 119.1507 58.5181 28.5834 177.7126 54 S 4.5206 7.8934 113.9252 59.1721 63.7672 174.6301 55 F 4.4706 8.4681 124.0598 59.0129 37.3332 178.0101 56 K 4.2307 7.7599 118.6608 59.2993 32.2504 177.4865 57 H 4.2950 8.1102 117.9645 58.5705 30.1344 175.3959 58 L 4.5130 7.7441 119.1619 53.3740 42.6610 177.9374 59 G 3.9545 8.2601 105.5924 45.9310 0.0000 173.8072 60 F 4.4540 8.5233 119.7959 56.7754 39.6884 176.4003 61 S 4.5975 8.7179 119.3841 57.5464 65.3476 175.2388 62 L 4.0049 8.6503 124.5900 58.2665 41.5824 179.9706 63 G 3.7354 8.2060 104.6151 48.1815 0.0000 175.0163 64 E 4.0349 7.9023 120.6922 59.1277 29.4970 179.6170 65 I 3.4122 8.0043 119.9702 64.3126 37.1537 178.1711 66 Q 3.8477 7.9849 120.3070 59.1321 28.8780 177.8779 67 N 4.1967 7.9087 117.4814 56.6328 38.7587 176.5799 68 I 3.3728 7.3530 120.1867 64.4660 37.4549 178.0618 69 I 3.6711 7.4400 120.0636 64.5014 36.7724 178.6015 70 L 3.9766 7.6734 118.1743 57.7868 41.4329 179.1737 71 Q 3.9080 7.8199 118.7623 57.1581 28.9619 176.9538 72 R 4.4121 8.5049 122.3613 56.3271 29.7412 176.3417 73 D 4.6955 7.4725 114.0724 51.6197 42.2194 174.2804 74 I 4.4907 7.7743 114.4654 57.9730 40.7857 175.2079 75 E 3.9261 8.6817 122.1277 57.0131 30.1739 177.6709 76 T 4.0211 8.6902 123.7835 66.7956 68.1679 175.7115 77 E 3.9592 8.2824 120.5431 59.5042 29.6556 178.9939 78 V 3.6334 7.6965 117.2294 65.8749 31.4136 177.3645 79 F 4.4974 7.9991 118.9623 61.8268 39.3496 177.0958 80 L 3.9160 8.2533 116.8779 57.2186 41.5365 179.1691 81 R 4.1694 7.6201 118.6478 59.0257 29.9448 177.9815 82 Q 4.3930 7.8505 116.7234 56.6826 28.9061 177.4598 *84 H 4.5679 8.2207 122.0903 56.1771 31.9824 175.0921 85 F 3.9832 8.0324 120.9343 61.3898 39.2524 176.8317 86 Q 3.8104 8.3691 119.2222 59.1394 28.5718 178.5731 87 R 3.8005 7.6420 119.3296 59.3730 30.2256 178.2043 88 E 3.7908 7.6123 118.0493 59.1070 29.4173 179.4627 89 V 3.3589 7.4440 118.4701 65.9222 31.4935 178.1656 90 L 3.9318 8.1682 119.0941 57.8021 41.5638 179.5329 91 L 3.9467 8.2107 118.9948 57.5344 41.4386 179.4827 92 A 3.9659 8.0170 121.0482 54.9418 18.2192 179.3156 93 E 3.8511 8.0860 117.8707 59.3402 29.6864 178.7758 94 Q 3.9098 8.3960 120.0850 59.2862 29.1688 178.0850 95 E 4.0747 8.1608 119.1317 58.6739 29.4132 179.2580 96 R 3.8307 7.8307 119.2087 59.5577 30.2417 178.5779 97 I 3.6559 8.0060 119.6134 64.2064 37.1493 178.1505 98 A 3.9884 7.7974 121.2175 55.1396 18.1606 179.9292 99 K 3.7830 7.9208 116.6668 59.5880 31.9683 179.6254 100 V 3.5923 7.7107 117.3154 66.1164 31.4345 177.7132 101 L 4.1524 8.1811 117.9969 57.8931 41.8136 179.4340 102 S 4.3627 7.9490 113.6978 61.4741 62.6590 176.3885 103 H 4.1951 7.9350 117.2463 56.3220 28.5902 176.0776 *105 D 4.6899 8.1212 123.1936 54.6705 42.7946 177.6901 106 E 4.2317 8.0513 114.3726 58.1842 28.9547 178.5475 *108 T 4.3707 7.9643 117.2527 63.7327 70.3191 176.5253 109 K 4.1309 8.1622 119.2020 59.2203 31.9785 179.4468 110 K 4.0784 8.0083 118.2613 59.1327 32.4832 178.6087 111 F 4.3927 8.2682 115.2058 57.3954 39.0251 177.0369 112 Q 4.0607 7.5599 119.4889 59.0530 28.8418 177.3983 113 K 4.4022 7.6963 115.2451 56.2918 32.3590 176.3506 114 E 4.4691 7.7244 118.8120 55.4076 30.6786 176.8348 115 E 4.1119 8.8350 120.9527 59.2054 29.8474 177.6075 116 R 4.6235 7.7238 115.1181 54.1801 33.1866 175.5562 117 V 4.2739 8.0989 120.2202 61.3047 32.0150 175.7306 118 N 4.5568 8.8955 126.9263 52.9638 39.5070 174.8644 119 V 3.5288 8.5571 127.9178 66.3135 31.5849 177.4893 120 A 3.9986 8.0715 119.6591 55.1290 18.1651 179.2630 121 L 3.8406 9.0637 119.0738 58.1472 42.2463 178.4976 122 F 3.7554 8.6126 121.1483 61.6209 39.1021 176.9773 123 S 4.0181 8.3845 112.4087 61.3845 62.1215 176.0764 124 S 3.9952 7.9188 115.6618 61.5443 61.9356 176.2489 125 F 4.3916 8.1339 119.3868 60.3049 38.6843 177.1967 126 L 3.6382 7.6112 119.1348 58.0681 42.1150 178.2037 127 Q 4.1637 8.2272 119.8190 59.7275 28.6469 178.7513 128 T 4.3955 7.6823 110.8939 63.9346 69.1816 175.9350 129 F 4.5582 8.0827 123.4044 55.6003 37.4294 175.8373 130 I 4.0613 7.5019 114.9612 61.0481 37.1192 175.5446 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 L 8.18 3.98 0.00 1.44 1.55 0.71 -0.50 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 2 A 7.47 4.04 1.05 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 3 W 9.45 5.46 0.00 3.48 3.08 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 4 L 9.29 4.97 0.00 1.73 1.66 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.74 3.89 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 1.03 0.00 0.00 6 S 8.32 4.21 0.00 3.98 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 7 E 8.27 4.20 0.00 2.40 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 2.51 2.61 0.00 8 F 8.70 3.93 0.00 3.20 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 9 A 7.87 3.75 1.38 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 0.00 0.00 10 S 7.27 3.90 0.00 4.01 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 11 V 7.39 3.69 1.19 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 0.21 0.00 0.00 0.21 0.00 0.00 12 G 6.91 3.37 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 13 D 8.34 4.46 0.00 2.58 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 14 V 7.63 4.42 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 0.64 0.00 0.00 0.78 0.00 0.00 15 T 7.78 4.61 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 1.15 0.00 0.00 16 V 8.06 3.61 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 1.16 0.00 0.00 1.00 0.00 0.00 17 R 7.98 3.87 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 18 A 7.95 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.86 3.93 0.00 1.86 1.84 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.48 4.03 0.00 2.13 2.06 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 21 Y 8.31 4.17 0.00 3.06 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 22 Y 8.34 4.32 0.00 3.15 2.98 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 23 D 8.32 4.82 0.00 3.04 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 24 K 8.32 3.96 0.00 1.77 2.03 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 25 I 7.43 3.95 1.71 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 1.26 0.63 0.42 0.00 0.00 26 N 7.62 4.18 0.00 2.88 2.88 0.00 0.00 7.01 7.37 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 27 L 8.04 4.08 0.00 1.49 1.50 0.84 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.66 4.34 0.00 1.77 1.64 1.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.43 4.91 0.00 1.78 1.70 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.43 7.81 30 P 0.00 4.11 0.00 1.40 0.52 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 31 S 8.21 4.13 0.00 4.06 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 32 D 7.23 4.59 0.00 2.39 2.33 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 33 Y 7.88 5.14 0.00 2.95 2.71 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 0.00 0.00 0.00 0.00 34 T 8.60 4.46 4.28 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 1.29 0.00 0.00 35 E 8.84 4.09 0.00 1.96 2.06 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 2.32 2.38 0.00 36 G 8.00 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 0.00 0.00 0.00 37 G 8.53 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 38 H 7.99 5.12 0.00 3.17 3.24 0.00 5.63 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 39 R 8.61 4.20 0.00 1.75 1.43 0.00 3.21 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 40 L 7.81 4.64 0.00 1.56 1.35 0.80 0.78 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 41 Y 9.26 4.49 0.00 2.43 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 0.00 0.00 0.00 0.00 42 T 9.93 4.60 4.31 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 1.33 0.00 0.00 43 K 8.76 4.54 0.00 2.00 1.98 0.00 1.91 0.00 0.00 2.20 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.97 1.80 7.81 44 D 8.26 4.66 0.00 2.83 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 45 D 8.20 4.51 0.00 2.95 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 46 L 8.41 4.14 0.00 1.91 1.84 0.31 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.80 4.19 0.00 3.28 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 48 V 8.18 3.93 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 1.26 0.00 0.00 1.01 0.00 0.00 49 L 8.50 3.96 0.00 1.91 1.81 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.03 3.98 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 51 Q 8.34 4.19 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 52 I 8.04 3.81 2.02 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.66 0.00 0.00 53 Q 8.51 4.11 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 54 S 7.89 4.52 0.00 3.86 3.48 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 55 F 8.47 4.47 0.00 3.45 3.15 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 56 K 7.76 4.23 0.00 1.97 2.26 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.49 7.81 57 H 8.11 4.29 0.00 3.24 3.35 0.00 5.99 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.74 4.51 0.00 2.24 1.68 1.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.26 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 60 F 8.52 4.45 0.00 3.41 3.07 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 0.00 0.00 0.00 61 S 8.72 4.60 0.00 4.16 4.06 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 62 L 8.65 4.00 0.00 1.83 1.82 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.21 3.74 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 64 E 7.90 4.03 0.00 2.45 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 0.00 2.45 2.47 0.00 65 I 8.00 3.41 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.98 0.82 0.00 0.00 66 Q 7.98 3.85 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 67 N 7.91 4.20 0.00 2.86 2.92 0.00 0.00 7.24 7.51 0.00 0.00 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 7.35 3.37 1.31 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.04 -0.18 0.00 0.00 69 I 7.44 3.67 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.94 0.00 0.00 70 L 7.67 3.98 0.00 1.66 1.68 0.88 0.84 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 71 Q 7.82 3.91 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.83 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 72 R 8.50 4.41 0.00 1.99 2.06 0.00 3.18 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 73 D 7.47 4.70 0.00 2.67 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 74 I 7.77 4.49 1.82 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 0.74 0.00 0.00 75 E 8.68 3.93 0.00 2.07 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 2.51 2.44 0.00 76 T 8.69 4.02 4.30 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 1.32 0.00 0.00 77 E 8.28 3.96 0.00 2.07 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 0.00 2.41 2.41 0.00 78 V 7.70 3.63 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 1.02 0.00 0.00 1.02 0.00 0.00 79 F 8.00 4.50 0.00 3.18 3.43 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 80 L 8.25 3.92 0.00 1.68 1.73 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.62 4.17 0.00 2.12 2.07 0.00 3.09 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 82 Q 7.85 4.39 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.15 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 *84 H 8.22 4.57 0.00 3.28 3.49 0.00 5.67 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 85 F 8.03 3.98 0.00 3.23 3.23 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 0.00 86 Q 8.37 3.81 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 87 R 7.64 3.80 0.00 1.83 1.87 0.00 3.21 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 1.59 1.65 0.00 88 E 7.61 3.79 0.00 1.77 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 2.28 2.30 0.00 89 V 7.44 3.36 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 0.46 0.00 0.00 90 L 8.17 3.93 0.00 1.75 1.63 0.86 0.51 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 91 L 8.21 3.95 0.00 1.71 1.66 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.02 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.09 3.85 0.00 2.20 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 2.27 2.33 0.00 94 Q 8.40 3.91 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 95 E 8.16 4.07 0.00 2.03 1.95 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 2.42 2.43 0.00 96 R 7.83 3.83 0.00 2.14 1.98 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 97 I 8.01 3.66 1.85 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 1.76 0.60 0.90 0.00 0.00 98 A 7.80 3.99 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 99 K 7.92 3.78 0.00 2.00 1.74 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 100 V 7.71 3.59 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 0.84 0.00 0.00 1.00 0.00 0.00 101 L 8.18 4.15 0.00 1.80 1.71 0.91 0.94 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 0.00 102 S 7.95 4.36 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 4.20 0.00 3.31 3.20 0.00 5.70 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 D 8.12 4.69 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 0.00 106 E 8.05 4.23 0.00 2.12 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 2.62 2.90 0.00 *108 T 7.96 4.37 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 1.25 0.00 0.00 109 K 8.16 4.13 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 110 K 8.01 4.08 0.00 1.92 1.68 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.30 1.51 7.81 111 F 8.27 4.39 0.00 3.21 3.18 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 0.00 0.00 0.00 0.00 112 Q 7.56 4.06 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.15 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 113 K 7.70 4.40 0.00 1.76 1.80 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 114 E 7.72 4.47 0.00 2.21 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 2.21 2.32 0.00 115 E 8.83 4.11 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 2.32 2.34 0.00 116 R 7.72 4.62 0.00 1.79 1.83 0.00 3.36 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 117 V 8.10 4.27 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 0.43 0.00 0.00 0.96 0.00 0.00 118 N 8.90 4.56 0.00 2.91 2.90 0.00 0.00 6.75 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 0.00 119 V 8.56 3.53 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 0.99 0.00 0.00 0.87 0.00 0.00 120 A 8.07 4.00 1.38 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 0.00 0.00 121 L 9.06 3.84 0.00 1.97 2.13 0.69 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.61 3.76 0.00 2.71 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 0.00 123 S 8.38 4.02 0.00 3.99 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 0.00 124 S 7.92 4.00 0.00 3.92 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 0.00 125 F 8.13 4.39 0.00 3.24 2.99 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 0.00 126 L 7.61 3.64 0.00 1.16 1.63 0.54 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.23 4.16 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 128 T 7.68 4.40 4.57 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 1.29 0.00 0.00 129 F 8.08 4.56 0.00 3.14 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 0.00 130 I 7.50 4.06 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 1.29 0.38 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.