NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3355 8.3049 120.3117 54.8924 33.4421 174.9986 2 Y 4.4482 8.2311 118.4665 57.9881 38.6291 174.4621 3 K 4.5784 9.9164 122.2648 57.4970 36.1252 175.4699 4 H 5.1079 8.9218 120.3699 55.5636 33.0011 172.2938 5 I 4.7168 9.0508 128.2001 59.6448 39.4880 174.6331 6 L 5.0186 8.7557 128.5114 53.2299 44.8117 174.9071 7 V 4.6874 8.7016 126.6441 61.1931 33.5241 174.0265 8 A 4.9883 8.7240 130.7601 50.8909 19.9489 176.6665 9 V 4.4034 8.6613 115.4146 59.3424 36.2417 176.0132 10 D 4.8965 8.4863 120.1090 52.4069 40.1157 176.0654 11 L 3.5797 7.8484 117.4141 56.7640 39.0177 172.4719 12 S 4.9960 7.6914 113.7399 56.2201 66.1066 174.6575 13 E 4.0341 8.7312 118.4124 59.6003 29.2900 178.5113 14 E 4.0519 8.0335 119.9441 59.1024 29.5336 178.8224 15 S 4.0714 7.7774 114.8944 61.2955 62.9378 174.9842 16 P 4.2446 0.0000 0.0000 65.5219 31.0577 178.8258 17 I 3.7217 7.5990 118.2810 64.1760 37.1645 177.9845 18 L 3.9018 7.9323 121.2343 58.0717 41.8846 178.8261 19 L 3.9328 8.2594 120.6781 57.9991 42.0924 179.0457 20 K 3.9370 8.1676 118.5696 59.2631 31.8343 179.2272 21 K 3.9088 8.0894 119.7341 59.4677 32.1577 178.8149 22 A 3.9370 8.0180 121.1172 54.9198 18.1713 179.7209 23 V 3.2520 7.9331 117.1306 65.8828 31.4031 178.4233 24 G 3.6064 7.8124 104.9244 47.9640 0.0000 175.7421 25 I 3.7812 7.5404 122.0578 63.9444 37.0377 178.3763 26 A 3.9782 8.3253 121.9929 55.1558 18.2032 179.8772 27 K 4.0546 8.2226 117.3474 59.6510 31.8515 179.8144 28 R 4.0681 7.7270 117.7534 58.6958 30.1593 177.6865 29 H 4.5758 8.2603 113.3084 54.5580 29.9618 174.4211 30 D 4.4479 7.4688 119.1221 55.4423 38.8174 172.9107 31 A 5.0133 8.0560 118.7194 50.1735 21.8754 178.4953 32 K 4.4178 8.7834 118.9463 56.3677 33.9239 176.1930 33 L 5.2948 8.5467 123.4021 53.7067 45.3849 175.3377 34 S 5.2046 9.4201 121.2718 56.8397 67.8146 172.8275 35 I 5.0070 8.5126 120.9475 59.6052 41.2585 174.6348 36 I 4.9156 8.7133 125.9076 59.3605 40.9823 173.6780 37 H 4.8510 9.3204 130.7899 55.9639 31.0826 173.8185 38 V 4.5659 8.1980 125.9354 61.0591 33.1877 174.2230 39 D 4.4973 8.6941 128.8617 53.5063 41.5702 176.2571 40 V 3.9580 8.1962 118.1884 60.9079 32.0193 175.4757 41 N 4.3812 8.3680 119.9335 53.5869 39.1591 174.7923 42 F 4.4867 8.5978 122.3925 57.5976 39.3038 175.9086 43 S 4.3029 9.8044 117.2029 58.5471 62.5777 173.4020 44 D 4.8435 8.6682 127.4141 53.5628 39.5206 176.3552 45 L 4.1139 7.8752 122.7872 56.0996 41.6598 180.8478 *46 Y 3.5636 8.4199 124.2403 56.9098 33.9398 166.5710 47 T 5.0165 7.3417 110.2979 60.2581 71.1702 174.3218 48 G 3.8829 7.3064 107.6286 43.7293 0.0000 171.3528 49 L 5.0996 8.0785 122.3028 53.6215 43.3172 176.3185 50 I 4.6331 9.0095 126.8303 59.5055 41.3206 174.0822 51 D 4.9128 8.5495 125.6780 52.6040 41.7290 177.1662 52 V 3.6637 8.5527 127.3355 65.4198 31.6558 176.4254 53 N 4.6800 8.5435 117.5641 54.6049 39.3189 175.3389 54 M 4.8275 7.8605 118.4280 54.1781 32.2607 180.6518 55 S 4.4595 7.7767 119.9341 58.4483 65.2302 175.7473 *58 Q 4.3564 8.2644 115.5754 57.5514 28.6231 172.4467 59 D 4.8026 8.6436 111.9780 56.5407 40.2598 174.1660 60 R 4.0278 8.0042 117.0795 59.3553 30.0212 176.2717 61 I 4.2229 7.7264 118.6479 59.6707 39.1482 174.8307 62 S 4.6917 8.0463 122.6659 56.8227 66.4174 175.4532 63 T 3.8126 8.3971 115.2285 65.5395 68.3192 176.9691 64 E 3.9575 8.0721 120.7824 61.2103 29.8374 181.4753 65 T 4.0305 7.9301 111.3360 64.2971 68.8251 176.2360 66 Q 3.8828 8.6328 122.9845 58.9399 29.0573 178.5181 67 K 3.8911 8.1822 120.1808 59.5163 32.2830 178.5135 68 A 4.0153 7.9137 121.0674 55.1033 18.2441 179.4387 69 L 3.8890 8.1690 119.0357 58.2998 42.3256 179.2247 70 L 4.0421 8.0191 118.9662 57.7390 41.2663 179.2472 71 D 4.3576 8.4814 118.6670 57.1331 41.0621 178.1854 72 L 4.0616 8.1003 120.6880 58.1466 41.6363 178.8840 73 A 4.1046 8.2103 123.1797 55.6324 18.1157 179.3418 74 E 4.0848 7.7741 113.9352 59.1492 30.1312 180.8589 75 S 4.5834 7.8752 112.6900 60.0107 63.5975 174.2244 76 V 4.6042 6.5707 114.6747 59.6984 35.1083 175.3534 77 D 4.5098 8.6657 121.3250 56.6332 41.2775 177.0242 78 Y 3.9545 8.1040 119.3385 56.9464 39.1040 174.0543 79 P 4.2755 0.0000 0.0000 62.8503 31.9999 175.3893 80 I 4.5329 8.0860 122.7264 60.1353 38.0560 175.6753 81 S 4.2982 9.4802 124.8024 61.2339 63.0055 174.5331 82 E 4.6779 8.3053 118.7071 54.2628 33.4704 175.2161 83 K 4.8496 8.4835 121.2318 54.9560 35.1074 175.1868 84 L 5.1974 8.9551 125.2607 52.9415 45.6984 175.6488 85 S 5.0786 9.0812 114.2639 56.9351 66.0609 172.9104 86 G 4.6346 9.2920 113.6213 44.6497 0.0000 171.4761 87 S 4.8405 8.9940 116.0263 56.3009 66.9481 174.4473 88 G 3.8481 8.8742 106.5449 44.8644 0.0000 176.6793 89 D 4.5009 8.6207 128.4395 53.2338 41.2634 176.1404 90 L 4.0447 8.3983 128.6650 57.2892 41.6843 179.6917 91 G 3.7279 7.9785 107.0780 47.2362 0.0000 175.4930 92 Q 3.9504 8.4107 122.2564 58.7162 29.0532 178.3453 93 V 3.5581 7.8975 119.3437 66.0858 31.5252 178.0730 94 L 3.9851 8.2139 119.0810 57.8194 41.4611 179.5865 95 S 4.1195 8.1006 115.1212 61.7582 62.7761 176.5652 96 D 4.3405 8.3635 121.3659 57.2971 40.5655 178.7351 97 A 4.2497 8.2530 121.3464 55.2345 18.4285 179.6625 98 I 3.6898 8.0908 118.6311 64.5904 37.0602 178.5488 99 E 3.9211 8.2518 119.1727 59.5564 29.1857 179.0032 100 Q 3.8048 8.2119 118.5476 58.8218 29.0302 177.2892 101 Y 4.5822 7.7744 114.1398 56.3942 39.2889 175.4210 102 D 4.3900 7.7224 118.7083 55.3049 38.9514 174.3068 103 V 4.0538 7.8880 117.6014 62.6301 32.5831 174.8892 104 D 5.0460 8.9496 124.8292 52.9336 40.7017 175.5037 105 L 4.4746 7.5000 121.9842 53.7210 45.5777 173.8471 106 L 4.9612 8.6268 128.8339 53.3594 44.2980 174.8896 107 V 4.9714 8.7954 126.8394 61.3531 34.0322 174.4229 108 T 4.7238 8.9684 116.9422 60.1976 72.7717 173.5352 109 G 4.1052 7.9091 110.8651 45.0732 0.0000 172.6799 110 H 4.9426 8.9298 118.6060 56.1282 31.3114 176.1714 111 H 4.4784 8.2350 116.8777 57.0332 29.8804 175.9106 112 Q 4.2422 8.9264 124.4241 59.3509 28.7201 178.7754 113 D 4.4495 8.2266 119.5010 57.0954 40.8834 178.4184 114 F 4.0556 8.2842 120.8170 61.2388 39.5440 177.1686 115 W 3.6756 8.4781 118.5176 59.6389 28.5594 178.7718 116 S 4.2593 8.3965 114.9637 61.3296 62.5161 176.3448 117 K 4.1005 8.0194 122.4322 59.5277 31.7403 178.9426 118 L 3.7364 7.3110 117.9941 57.7197 41.5114 178.6453 119 M 4.3843 7.8556 115.8967 56.1994 32.1844 176.8651 120 S 4.6562 7.6422 114.6635 57.9479 63.7117 174.3698 121 S 4.2934 7.7963 116.9183 58.6031 62.5788 173.9585 122 T 4.5710 8.4568 117.8495 60.7050 69.9607 174.8665 123 R 4.1898 8.4434 121.2822 57.4208 30.5546 178.3404 124 Q 4.1313 7.7399 116.9244 57.4512 28.1184 183.4138 125 V 4.4438 7.3723 116.3393 61.2031 34.5040 176.1829 126 M 4.4072 8.4762 128.8332 54.6191 30.0748 175.4634 127 N 4.5729 7.6387 118.0565 53.7019 39.9482 174.0470 128 T 4.4960 7.8186 112.9902 61.4741 70.3500 171.9075 129 I 4.4896 8.1627 122.2764 59.2618 39.9468 174.8345 130 K 4.5652 8.7842 125.6070 55.9237 32.4490 175.1297 131 I 4.8465 7.2595 111.5750 58.6787 41.1892 174.6556 132 D 4.6681 8.6772 121.7514 54.8475 42.0725 175.2811 133 M 5.1920 8.4531 120.2476 53.8267 35.4734 173.7632 134 L 4.6607 9.1118 128.6633 53.4017 44.4032 174.8425 135 V 4.7548 8.5066 126.6533 61.4412 32.9145 174.6660 136 V 4.4656 8.5419 129.1246 60.4572 32.6389 173.9018 137 P 4.5932 0.0000 0.0000 62.2144 32.4052 176.0994 138 L 4.1136 8.1669 120.8667 55.1366 42.1632 177.7579 139 R 4.1819 8.2408 120.8410 56.6067 31.1522 174.8899 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 M 8.30 4.34 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 2 Y 8.23 4.45 0.00 2.99 2.92 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 0.00 0.00 0.00 0.00 3 K 9.92 4.58 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 4 H 8.92 5.11 0.00 3.22 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.05 4.72 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.45 0.82 0.00 0.00 6 L 8.76 5.02 0.00 1.57 1.39 0.82 0.72 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 7 V 8.70 4.69 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 0.88 0.00 0.00 0.91 0.00 0.00 8 A 8.72 4.99 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 9 V 8.66 4.40 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 0.64 0.00 0.00 0.94 0.00 0.00 10 D 8.49 4.90 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.58 0.00 1.83 1.76 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.69 5.00 0.00 4.03 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 13 E 8.73 4.03 0.00 1.97 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 2.32 2.37 0.00 14 E 8.03 4.05 0.00 1.98 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 2.21 2.27 0.00 15 S 7.78 4.07 0.00 3.99 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 16 P 0.00 4.24 0.00 2.14 2.08 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 17 I 7.60 3.72 2.00 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 1.51 0.54 0.89 0.00 0.00 18 L 7.93 3.90 0.00 1.84 1.77 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.26 3.93 0.00 1.80 1.76 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.17 3.94 0.00 1.96 1.82 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.58 7.81 21 K 8.09 3.91 0.00 1.81 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 22 A 8.02 3.94 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 23 V 7.93 3.25 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 0.96 0.00 0.00 0.90 0.00 0.00 24 G 7.81 3.61 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 25 I 7.54 3.78 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 0.95 0.00 0.00 26 A 8.33 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.22 4.05 0.00 1.91 1.93 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.46 7.81 28 R 7.73 4.07 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 29 H 8.26 4.58 0.00 3.24 3.63 0.00 5.81 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.47 4.45 0.00 2.98 2.77 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 31 A 8.06 5.01 1.37 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 32 K 8.78 4.42 0.00 1.73 1.65 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.46 1.39 7.81 33 L 8.55 5.29 0.00 1.78 1.66 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.42 5.20 0.00 3.67 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.51 5.01 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.87 0.00 0.00 36 I 8.71 4.92 1.82 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 1.09 1.49 0.88 0.00 0.00 37 H 9.32 4.85 0.00 3.26 3.28 0.00 5.79 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 38 V 8.20 4.57 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 0.80 0.00 0.00 1.00 0.00 0.00 39 D 8.69 4.50 0.00 2.69 2.62 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 40 V 8.20 3.96 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 0.74 0.00 0.00 0.90 0.00 0.00 41 N 8.37 4.38 0.00 2.61 2.79 0.00 0.00 7.10 6.57 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 42 F 8.60 4.49 0.00 3.10 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 43 S 9.80 4.30 0.00 3.87 3.82 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 44 D 8.67 4.84 0.00 2.79 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 45 L 7.88 4.11 0.00 1.71 1.51 0.92 0.91 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 *46 Y 8.42 3.56 0.00 2.44 2.20 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 47 T 7.34 5.02 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 1.21 0.00 0.00 48 G 7.31 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 0.00 0.00 0.00 49 L 8.08 5.10 0.00 1.67 1.60 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 50 I 9.01 4.63 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 1.13 0.65 0.92 0.00 0.00 51 D 8.55 4.91 0.00 2.90 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 52 V 8.55 3.66 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 0.80 0.00 0.00 0.95 0.00 0.00 53 N 8.54 4.68 0.00 2.87 2.84 0.00 0.00 6.60 7.23 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 54 M 7.86 4.83 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 55 S 7.78 4.46 0.00 3.62 3.73 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 *58 Q 8.26 4.36 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 59 D 8.64 4.80 0.00 2.69 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 60 R 8.00 4.03 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 61 I 7.73 4.22 1.87 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 1.34 1.08 0.91 0.00 0.00 62 S 8.05 4.69 0.00 4.01 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 63 T 8.40 3.81 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 1.20 0.00 0.00 64 E 8.07 3.96 0.00 2.00 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 2.31 1.94 0.00 65 T 7.93 4.03 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 1.16 0.00 0.00 66 Q 8.63 3.88 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 67 K 8.18 3.89 0.00 1.85 1.90 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.44 7.81 68 A 7.91 4.02 1.37 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 69 L 8.17 3.89 0.00 1.70 1.78 0.90 0.97 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 70 L 8.02 4.04 0.00 1.84 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.48 4.36 0.00 2.78 2.72 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 0.00 72 L 8.10 4.06 0.00 1.82 1.87 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.21 4.10 1.37 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 74 E 7.77 4.08 0.00 2.12 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 2.26 2.18 0.00 75 S 7.88 4.58 0.00 4.03 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 76 V 6.57 4.60 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 0.74 0.00 0.00 1.09 0.00 0.00 77 D 8.67 4.51 0.00 2.71 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 78 Y 8.10 3.95 0.00 2.92 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 79 P 0.00 4.28 0.00 2.10 1.89 0.00 2.33 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 80 I 8.09 4.53 1.88 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 1.39 0.92 0.95 0.00 0.00 81 S 9.48 4.30 0.00 3.69 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 82 E 8.31 4.68 0.00 1.52 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 2.06 1.73 0.00 83 K 8.48 4.85 0.00 1.62 1.67 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 84 L 8.96 5.20 0.00 1.46 1.60 0.66 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.08 5.08 0.00 3.86 3.65 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 86 G 9.29 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.99 4.84 0.00 3.82 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 88 G 8.87 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 0.00 0.00 0.00 89 D 8.62 4.50 0.00 2.72 2.57 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 90 L 8.40 4.04 0.00 1.53 1.51 0.66 0.78 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 91 G 7.98 3.73 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 0.00 0.00 0.00 92 Q 8.41 3.95 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 93 V 7.90 3.56 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 0.96 0.00 0.00 0.99 0.00 0.00 94 L 8.21 3.99 0.00 1.74 1.67 0.82 0.80 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 95 S 8.10 4.12 0.00 4.06 3.91 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 96 D 8.36 4.34 0.00 2.89 2.72 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 0.00 97 A 8.25 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.69 2.03 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 1.52 1.02 0.96 0.00 0.00 99 E 8.25 3.92 0.00 2.11 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 2.46 2.45 0.00 100 Q 8.21 3.80 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.07 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 101 Y 7.77 4.58 0.00 3.12 3.05 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 0.00 102 D 7.72 4.39 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.05 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 0.77 0.00 0.00 0.81 0.00 0.00 104 D 8.95 5.05 0.00 2.80 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 0.00 105 L 7.50 4.47 0.00 0.27 0.93 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.63 4.96 0.00 1.78 1.47 0.94 0.64 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 0.00 107 V 8.80 4.97 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 0.96 0.00 0.00 0.82 0.00 0.00 108 T 8.97 4.72 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 1.30 0.00 0.00 109 G 7.91 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 0.00 110 H 8.93 4.94 0.00 3.29 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.24 4.48 0.00 3.29 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.93 4.24 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 113 D 8.23 4.45 0.00 2.77 2.77 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 0.00 114 F 8.28 4.06 0.00 3.04 3.25 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 0.00 115 W 8.48 3.68 0.00 3.56 3.32 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 0.00 116 S 8.40 4.26 0.00 4.10 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 0.00 117 K 8.02 4.10 0.00 1.80 1.66 0.00 1.26 0.00 0.00 0.81 0.00 0.00 2.62 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.29 7.81 118 L 7.31 3.74 0.00 1.42 1.38 -0.81 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 119 M 7.86 4.38 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.69 0.00 120 S 7.64 4.66 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.29 0.00 3.80 3.71 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 0.00 122 T 8.46 4.57 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 1.27 0.00 0.00 123 R 8.44 4.19 0.00 1.82 2.01 0.00 3.24 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 124 Q 7.74 4.13 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 125 V 7.37 4.44 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 1.02 0.00 0.00 0.93 0.00 0.00 126 M 8.48 4.41 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 127 N 7.64 4.57 0.00 2.70 2.75 0.00 0.00 6.95 7.54 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 0.00 128 T 7.82 4.50 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 1.22 0.00 0.00 129 I 8.16 4.49 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 1.65 1.08 0.94 0.00 0.00 130 K 8.78 4.57 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 131 I 7.26 4.85 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.97 0.00 0.00 132 D 8.68 4.67 0.00 2.69 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 0.00 133 M 8.45 5.19 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 134 L 9.11 4.66 0.00 1.73 1.47 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.51 4.75 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 0.95 0.00 0.00 1.20 0.00 0.00 136 V 8.54 4.47 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 0.83 0.00 0.00 0.93 0.00 0.00 137 P 0.00 4.59 0.00 2.09 2.04 0.00 3.83 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 1.98 1.99 0.00 138 L 8.17 4.11 0.00 1.57 1.61 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.24 4.18 0.00 1.72 1.73 0.00 3.39 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.