NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5194 8.1749 117.3747 63.6660 70.0462 172.8313 2 T 4.5839 9.6787 122.6641 59.9405 71.7351 171.4616 3 I 5.1456 9.2411 120.8836 59.3136 41.2528 174.7046 4 V 4.6406 8.9975 116.8477 59.8924 36.5336 174.2971 5 G 4.5630 8.5597 108.4342 44.7062 0.0000 172.5879 6 V 4.5272 8.9585 123.7692 61.4930 34.9327 173.9538 7 K 4.6667 8.8350 128.0661 55.6613 33.3591 175.8486 8 F 5.1131 8.0413 116.7138 54.1413 40.9667 175.4773 9 N 4.2329 8.9726 117.8192 55.9419 36.7359 174.6153 10 N 4.9018 7.7445 116.6787 50.9602 40.1563 174.5079 11 G 3.5133 5.8857 104.8809 45.9371 0.0000 172.1671 12 V 4.8923 7.7307 119.5443 60.5483 34.1536 173.3608 13 V 4.8003 8.9007 121.4462 60.0081 34.8265 174.3441 14 I 5.2377 8.3179 114.5112 59.4053 40.6797 173.8248 15 A 4.9005 8.7477 124.7531 50.7815 23.1955 174.1995 16 A 5.5383 8.3558 118.3741 52.3629 22.1429 176.1095 17 D 4.7773 8.5430 119.5365 52.5394 42.0599 176.4150 18 T 4.8663 8.1649 106.8067 60.4324 70.5738 172.6740 19 R 4.8625 8.4781 122.6098 55.6784 31.3081 175.3747 20 S 5.0245 9.1259 121.4494 56.7812 65.2310 172.7135 21 T 5.1855 8.3888 115.1761 60.2884 72.1607 173.7473 22 Q 4.3668 8.8600 121.0241 55.2087 30.1876 175.8075 23 G 4.1118 8.3321 117.7754 46.1118 0.0000 171.1113 24 P 4.6546 0.0000 0.0000 62.2336 32.0348 175.0303 25 I 4.2057 7.1717 120.1414 59.9450 38.3529 175.0869 26 V 4.1603 8.2376 124.7083 62.1958 31.5116 175.6088 27 A 4.0739 8.9037 131.5546 54.5803 18.6936 176.7305 28 D 4.8705 7.7776 115.4357 52.2956 43.1995 176.5548 29 K 4.1421 8.7147 125.8995 58.7357 32.9548 177.1725 30 N 5.2493 8.0732 117.0097 52.6237 38.6642 172.8722 31 C 4.6997 8.9614 118.5168 57.1262 33.1049 173.6950 32 A 4.7215 8.4012 120.9399 50.3881 20.1647 176.8477 33 K 4.3848 8.7485 120.6274 56.1572 33.8459 175.4792 34 L 5.0900 7.7782 121.0835 53.6068 42.9551 175.4058 35 H 4.9134 10.2138 121.9190 53.9011 31.6360 173.6054 36 R 3.5520 7.9504 122.8620 54.9794 30.0455 175.9021 37 I 3.9936 8.2446 128.1854 63.1381 38.1568 176.0087 38 S 4.5544 7.4397 111.9822 56.2218 65.4440 173.1682 39 P 4.2979 0.0000 0.0000 65.2324 31.3218 177.3270 40 K 4.9077 8.0112 115.2926 55.9251 34.2070 176.0516 41 I 4.7836 8.4601 121.6466 59.7427 40.3254 174.4097 42 W 5.1515 9.2863 127.2409 54.8333 31.9693 174.6034 43 C 5.3540 9.9177 123.5663 57.5942 34.4093 172.2630 44 A 5.1046 9.2528 128.0885 50.2042 20.9387 175.5757 45 G 4.5902 9.0433 109.4713 44.3506 0.0000 171.8227 46 A 4.8541 9.6339 124.4561 50.3127 22.6948 174.4237 47 G 4.1939 8.9204 102.4936 44.3901 0.0000 174.8663 48 T 3.8467 9.1105 120.4177 63.8532 67.9811 174.6904 49 A 3.8656 8.5777 128.1870 55.4640 18.2784 178.3992 50 A 3.9157 8.0960 117.4062 55.5515 18.1470 179.4749 51 D 4.2199 8.0183 116.6102 57.7836 41.1694 178.7819 52 T 3.8984 7.8607 110.2597 64.9477 68.3691 175.7963 53 E 3.6535 8.1618 121.6536 58.8313 29.7101 178.4416 54 A 3.9275 8.2642 121.2624 55.2236 18.5332 179.9859 55 V 3.4685 7.9335 117.8113 65.1756 31.4190 178.6402 56 T 3.7836 7.6436 115.9741 66.4290 68.2088 176.6731 57 Q 3.8908 8.2178 120.0926 58.7490 28.7352 178.0624 58 L 4.0037 8.1033 121.7061 58.6725 42.0908 179.2383 59 I 3.7877 7.8798 119.4423 64.0400 36.9355 178.6900 60 G 3.4920 7.9930 106.6697 47.8944 0.0000 175.2880 61 S 4.0797 8.7352 117.2663 61.3505 62.2102 176.3133 62 N 4.3976 8.1787 118.7233 56.1812 38.1814 177.5487 63 I 3.6720 8.2174 121.7711 64.1183 37.1353 178.0110 64 E 3.9012 8.5635 120.5370 59.2651 29.4638 178.6862 65 L 3.9693 7.8005 118.8743 58.2296 41.7295 178.8593 66 H 4.0317 8.4590 118.2491 59.4834 29.7207 176.9076 67 S 4.2262 8.4103 114.8713 61.5678 61.9880 176.1906 68 L 4.0202 7.7506 120.2503 58.0246 41.4406 178.6292 69 Y 4.1153 8.2202 118.9562 60.4000 38.8840 177.1880 70 T 4.2891 8.3859 108.5523 61.1433 69.5696 174.7193 71 S 3.8105 8.0894 116.6679 59.7444 61.1239 172.0336 72 R 4.7733 7.7059 115.8087 53.8976 33.7645 175.4323 73 E 4.1968 8.5059 118.9020 55.8412 30.1212 175.5528 74 P 4.5404 0.0000 0.0000 62.4806 32.4701 176.1172 75 R 4.7985 8.1373 119.7466 54.2838 32.6900 177.3900 76 V 3.6013 8.9398 121.9218 66.4795 31.5779 179.0487 77 V 3.6415 7.8817 111.1102 64.2228 31.1873 178.6098 78 S 4.1203 8.0757 115.1592 61.3827 62.7202 176.3750 79 A 3.9547 7.8765 123.0609 54.7479 18.1915 179.2983 80 L 3.8727 8.1210 119.1852 58.3376 42.2238 179.0777 81 Q 3.9330 8.0951 119.4315 59.3572 29.0664 177.8925 82 M 4.0357 8.1869 119.8114 58.6460 32.0364 178.2954 83 L 3.9496 8.2945 119.5288 57.7650 41.7663 179.4683 84 K 3.8961 8.2714 118.1839 60.7125 32.4615 179.0904 85 Q 4.1051 8.2747 119.2617 58.3541 28.4847 178.3757 86 H 4.2267 8.1906 119.4777 59.3955 29.8318 177.1568 87 L 4.0446 8.2349 119.9347 58.0103 41.7405 179.1778 88 F 4.1747 8.7721 120.9124 61.0040 39.1026 177.1110 89 K 3.9034 7.9341 118.4767 58.9028 31.8590 176.9086 90 Y 4.2184 7.5876 115.9567 59.2425 39.2195 176.0060 91 Q 2.8585 7.4931 116.0445 56.9815 26.5969 176.4875 *93 G 3.9709 7.7241 106.5861 45.3735 0.0000 174.6136 94 H 4.0820 9.1556 117.5330 57.3438 28.7873 175.7269 95 I 4.3120 6.3459 120.1494 58.4564 36.8808 176.1319 96 G 4.0763 8.3865 116.6101 46.5122 0.0000 169.6529 97 A 5.0898 7.3139 120.4973 50.3694 22.2940 176.4602 98 Y 4.6336 9.0783 119.6061 56.2443 41.2790 174.7420 99 L 5.3961 8.7217 123.2427 52.9211 46.1670 176.3148 100 I 4.5615 9.0354 123.1330 59.7638 39.3864 174.8180 101 V 4.9370 8.4641 126.7632 60.0653 33.6323 174.8235 102 A 4.6785 9.3960 124.5379 50.5199 23.4837 174.9516 103 G 4.5266 7.7790 106.1319 44.2334 0.0000 172.6062 104 V 4.5470 7.7603 113.5808 59.4558 34.4667 176.1395 105 D 4.3092 8.4118 121.5322 53.7781 39.2359 175.0376 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 T 8.17 4.52 4.25 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 1.27 0.00 0.00 2 T 9.68 4.58 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 3 I 9.24 5.15 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.94 0.00 0.00 4 V 9.00 4.64 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 0.79 0.00 0.00 0.94 0.00 0.00 5 G 8.56 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.96 4.53 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 1.04 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.67 0.00 1.79 1.66 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81 8 F 8.04 5.11 0.00 3.27 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 9 N 8.97 4.23 0.00 2.86 3.11 0.00 0.00 5.68 8.04 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 10 N 7.74 4.90 0.00 2.62 2.82 0.00 0.00 6.82 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 11 G 5.89 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.73 4.89 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 0.75 0.00 0.00 1.03 0.00 0.00 13 V 8.90 4.80 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 1.09 0.00 0.00 0.90 0.00 0.00 14 I 8.32 5.24 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.97 0.00 0.00 15 A 8.75 4.90 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 16 A 8.36 5.54 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 17 D 8.54 4.78 0.00 2.70 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 18 T 8.16 4.87 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 1.22 0.00 0.00 19 R 8.48 4.86 0.00 1.86 2.04 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 20 S 9.13 5.02 0.00 3.90 3.88 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 21 T 8.39 5.19 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 1.25 0.00 0.00 22 Q 8.86 4.37 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.38 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 23 G 8.33 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 0.00 0.00 0.00 24 P 0.00 4.65 0.00 2.18 2.16 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 1.91 1.96 0.00 25 I 7.17 4.21 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 1.18 1.03 0.91 0.00 0.00 26 V 8.24 4.16 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 0.84 0.00 0.00 0.93 0.00 0.00 27 A 8.90 4.07 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 28 D 7.78 4.87 0.00 2.68 2.51 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 0.00 0.00 0.00 0.00 29 K 8.71 4.14 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 30 N 8.07 5.25 0.00 2.72 2.68 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.96 4.70 0.00 3.06 3.30 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 32 A 8.40 4.72 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 33 K 8.75 4.38 0.00 1.73 1.99 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.55 7.81 34 L 7.78 5.09 0.00 1.60 1.89 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 H 10.21 4.91 0.00 3.10 3.10 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.95 3.55 0.00 0.67 1.14 0.00 3.07 0.00 0.00 2.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 37 I 8.24 3.99 1.96 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 1.28 0.61 0.86 0.00 0.00 38 S 7.44 4.55 0.00 3.94 3.88 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 39 P 0.00 4.30 0.00 2.12 2.28 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 40 K 8.01 4.91 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 I 8.46 4.78 1.88 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 1.28 0.91 1.02 0.00 0.00 42 W 9.29 5.15 0.00 3.26 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 43 C 9.92 5.35 0.00 2.87 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 44 A 9.25 5.10 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 45 G 9.04 4.59 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 0.00 0.00 0.00 46 A 9.63 4.85 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 47 G 8.92 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 0.00 0.00 0.00 0.00 48 T 9.11 3.85 4.38 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 1.21 0.00 0.00 49 A 8.58 3.87 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 50 A 8.10 3.92 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 51 D 8.02 4.22 0.00 2.90 2.66 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 52 T 7.86 3.90 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 1.32 0.00 0.00 53 E 8.16 3.65 0.00 2.09 2.14 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 2.28 2.32 0.00 54 A 8.26 3.93 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 55 V 7.93 3.47 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 0.86 0.00 0.00 0.88 0.00 0.00 56 T 7.64 3.78 4.38 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 1.12 0.00 0.00 57 Q 8.22 3.89 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 58 L 8.10 4.00 0.00 1.69 1.70 0.88 0.80 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 59 I 7.88 3.79 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.20 0.87 0.00 0.00 60 G 7.99 3.49 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 0.00 61 S 8.74 4.08 0.00 3.81 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 N 8.18 4.40 0.00 2.88 2.81 0.00 0.00 7.08 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 63 I 8.22 3.67 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.90 0.00 0.00 64 E 8.56 3.90 0.00 1.98 2.14 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 2.31 2.36 0.00 65 L 7.80 3.97 0.00 1.89 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.46 4.03 0.00 3.18 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.41 4.23 0.00 4.05 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 68 L 7.75 4.02 0.00 1.93 1.76 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.22 4.12 0.00 2.94 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 70 T 8.39 4.29 4.25 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 1.15 0.00 0.00 71 S 8.09 3.81 0.00 4.02 3.96 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 72 R 7.71 4.77 0.00 1.77 1.80 0.00 3.24 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 0.00 73 E 8.51 4.20 0.00 1.98 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 0.00 2.33 2.30 0.00 74 P 0.00 4.54 0.00 2.06 1.99 0.00 3.67 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 2.04 2.12 0.00 75 R 8.14 4.80 0.00 1.85 1.81 0.00 3.16 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.94 3.60 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 1.13 0.00 0.00 1.06 0.00 0.00 77 V 7.88 3.64 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 0.85 0.00 0.00 0.93 0.00 0.00 78 S 8.08 4.12 0.00 4.04 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 79 A 7.88 3.95 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 80 L 8.12 3.87 0.00 1.85 1.85 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.10 3.93 0.00 2.42 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.19 4.04 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 83 L 8.29 3.95 0.00 1.87 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.27 3.90 0.00 2.01 2.19 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.56 7.81 85 Q 8.27 4.11 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 86 H 8.19 4.23 0.00 3.44 3.57 0.00 5.80 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 87 L 8.23 4.04 0.00 1.79 1.74 0.88 0.77 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 88 F 8.77 4.17 0.00 3.22 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 89 K 7.93 3.90 0.00 2.02 1.99 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 1.33 7.81 90 Y 7.59 4.22 0.00 2.96 2.91 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 0.00 0.00 0.00 0.00 91 Q 7.49 2.86 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.47 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 *93 G 7.72 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 94 H 9.16 4.08 0.00 3.19 3.39 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.35 4.31 1.76 0.00 0.00 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 0.91 0.75 0.87 0.00 0.00 96 G 8.39 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 97 A 7.31 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.08 4.63 0.00 3.03 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 99 L 8.72 5.40 0.00 1.51 1.57 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.04 4.56 1.93 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 1.33 0.90 0.96 0.00 0.00 101 V 8.46 4.94 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 0.74 0.00 0.00 0.97 0.00 0.00 102 A 9.40 4.68 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 0.00 103 G 7.78 4.53 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 0.00 0.00 0.00 104 V 7.76 4.55 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 0.73 0.00 0.00 0.96 0.00 0.00 105 D 8.41 4.31 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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.