NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8952 8.2127 109.7474 45.5448 0.0000 174.9462 *2 I 3.7261 7.5478 121.3299 60.8543 39.4445 177.1837 3 Y 3.4722 7.3632 117.4449 60.8656 37.5006 178.6226 4 S 4.2798 8.0520 115.5057 61.6538 62.9579 176.7670 5 K 3.9792 7.8522 120.5526 59.4505 31.7181 179.4789 6 V 3.5662 7.7936 118.7632 66.0434 31.4004 177.9341 7 E 4.5130 8.7603 120.0847 59.1952 29.3428 179.1786 8 N 4.4712 8.9064 117.0637 56.0669 38.3748 177.3085 9 F 4.1109 8.4609 121.4356 61.4381 39.9435 176.9475 10 I 4.0597 8.5067 119.7901 64.4478 36.7246 177.7087 11 N 4.3599 8.3684 116.9091 56.8639 38.9000 176.0293 12 E 4.4039 8.0194 116.4089 56.9504 29.9262 176.6655 13 N 5.2843 7.8180 114.6868 51.8802 39.7170 174.2500 14 K 4.4155 7.8564 117.1930 57.1002 33.2888 178.8443 15 Q 4.0442 8.2295 121.4424 59.5591 28.6757 177.8544 16 N 5.0771 7.5847 113.0047 52.6654 39.7888 174.2829 17 A 4.1802 7.5363 119.4683 51.7589 19.7864 177.7999 18 I 4.3861 7.9728 118.7890 59.3257 40.7315 174.3880 19 F 5.8510 8.9954 126.5869 56.7322 43.0780 174.7679 20 T 3.9749 8.6728 111.8378 61.7471 69.2486 175.5152 21 E 4.6092 8.4165 117.8214 53.7935 34.1743 174.4967 22 G 4.0264 8.8791 113.7685 45.7440 0.0000 172.5875 23 A 4.0768 8.4688 126.6165 50.6681 19.9618 178.0032 24 S 4.3464 8.7643 117.9035 57.4623 64.4982 174.7498 25 H 3.9593 8.8837 119.2645 59.8271 29.1769 176.7288 26 E 3.8969 8.0691 119.4631 59.2919 29.3223 178.9200 27 N 4.1639 8.1886 116.7519 56.3923 38.4523 177.5565 28 I 3.7315 7.9337 121.6387 64.1707 37.0901 178.7302 29 G 3.5152 8.2764 107.0545 47.5626 0.0000 175.6783 30 R 3.8729 8.1446 121.1416 59.3570 30.0855 178.6216 31 I 3.7225 7.7964 119.4767 64.5532 37.1913 178.3153 32 E 4.0799 8.4874 119.6724 59.3282 29.0439 179.0432 33 E 3.9302 8.1284 118.4683 59.4695 29.8338 178.4393 34 N 4.5198 8.3245 115.4031 55.7694 38.3625 176.9639 35 L 4.1668 8.5227 120.6073 54.9286 41.6678 177.2067 36 Q 3.5410 7.8005 116.0415 56.8958 26.9438 173.1896 37 C 4.9003 7.3292 109.6889 57.7984 31.9336 174.0667 38 D 4.6791 8.6312 123.2123 54.1714 41.2263 175.9786 39 L 4.6945 8.7810 124.2237 52.6128 43.6171 175.5787 40 P 4.6811 0.0000 0.0000 62.5361 33.4547 177.2100 41 N 4.4256 9.1206 118.0910 56.8825 38.2996 178.0602 42 S 4.7285 9.0292 116.8468 61.0090 62.9071 175.8560 43 Y 3.9163 8.2333 123.0297 60.3067 38.5596 177.2898 44 K 3.7957 8.3632 119.5609 59.0170 32.0897 178.8630 45 W 4.1240 8.6427 128.8837 60.5481 30.5415 177.8251 46 F 4.0172 8.3538 120.1569 61.2586 38.7996 176.9841 47 L 3.5982 7.7032 118.6684 57.6630 41.3976 179.1778 48 E 4.0050 7.9793 120.6138 58.3855 29.3096 178.5971 49 K 3.3855 6.9747 118.1100 58.0925 32.0784 177.3335 50 Y 4.1502 7.2832 115.2374 57.0155 39.6729 176.0229 51 G 4.0096 9.3973 111.6847 44.9639 0.0000 172.5001 52 A 4.8696 7.7833 117.9659 51.2586 23.5726 174.3684 53 G 4.2576 9.0567 105.2233 45.1982 0.0000 172.3547 54 G 4.6388 7.5309 108.2071 46.0452 0.0000 170.8131 55 L 4.4508 8.0669 120.5756 55.3535 42.8837 174.4969 56 F 4.1386 9.3831 115.0309 58.7113 36.4856 177.0403 57 G 3.8158 8.5343 107.2742 45.2528 0.0000 174.4452 58 V 4.2771 7.8184 120.7567 61.4585 32.1374 173.8376 59 L 5.2406 8.1999 127.6312 52.7411 44.1168 176.1728 60 V 4.6756 8.8515 124.4948 60.9361 33.5300 175.3632 61 L 4.5825 9.1777 128.3484 53.7288 42.6235 179.1249 62 G 4.3405 8.4699 112.6354 46.6979 0.0000 174.2304 63 Y 4.8813 9.2455 127.3368 55.8989 38.8257 174.9331 64 N 4.4218 7.6800 125.4702 52.9860 39.6034 175.8695 65 F 3.9241 6.7063 121.2840 57.2460 37.3034 175.8400 66 D 4.9465 7.3601 116.7930 52.5929 39.9154 174.6638 67 H 4.3681 6.9838 114.1320 54.5363 31.3812 172.7941 68 A 4.8094 7.9823 121.5012 49.8188 20.3780 176.6970 69 S 4.1545 8.9660 120.5154 62.3162 62.9569 177.0699 70 V 3.6296 7.8635 122.7919 64.7190 31.0416 178.6686 71 V 3.5676 7.7497 118.5547 65.5664 31.4722 177.3998 72 N 4.3295 8.3427 116.3414 56.7402 38.4273 177.7244 73 R 4.1175 8.4029 119.5168 59.3052 30.0219 179.2513 74 T 3.8281 7.9526 115.7837 66.8079 68.4971 176.3445 75 N 4.3202 8.5920 118.7479 56.1124 38.4365 177.0169 76 E 3.9546 8.5816 121.1649 59.7547 29.8053 178.6633 77 Y 3.9390 8.4825 116.7649 60.7793 37.6340 178.5747 78 K 3.9442 8.1306 119.0966 59.3982 32.2420 178.7104 79 E 3.9939 8.0728 118.3994 59.0167 29.6788 177.5812 80 H 4.3928 7.9409 114.3518 56.2469 28.1964 175.3143 81 Y 4.9796 7.3749 116.9760 57.4367 39.0380 176.4436 82 G 4.0354 8.6075 105.5302 46.0309 0.0000 174.0562 83 L 2.5869 7.1748 119.8279 54.9445 42.5523 177.4093 84 T 4.0124 7.3495 122.0697 63.3641 69.1147 173.3439 85 D 4.4850 8.5557 124.6973 56.4021 41.3784 177.3397 86 G 3.9795 9.0626 111.8654 45.0574 0.0000 172.7920 87 L 4.7298 7.2055 119.3521 53.7527 42.7433 176.1241 88 V 4.2301 8.1386 122.5835 60.8032 34.0872 174.5877 89 V 3.9595 8.4701 129.5424 62.8369 31.3005 175.4576 90 I 4.3884 8.8362 121.4622 60.8710 40.2153 174.9764 91 E 4.9196 7.9400 123.9993 54.7974 33.1704 172.7948 92 D 5.0048 8.8004 126.6614 51.9840 42.8697 176.2239 93 V 4.2281 7.8122 128.4444 62.6728 32.1637 175.8116 94 D 4.9270 7.9016 124.5852 54.5302 40.1217 175.2272 95 Y 4.6288 7.4466 112.9777 57.7489 40.3637 174.9375 96 F 5.4064 7.5398 112.9158 56.0117 41.4705 172.5710 97 A 4.8960 9.1549 120.6666 50.1975 22.3836 174.8243 98 Y 5.0247 8.4579 118.2091 57.6560 39.6405 174.7434 99 C 5.1832 9.1525 120.7492 57.8096 33.3316 173.0602 100 L 4.5195 8.5806 122.4322 54.4963 42.8005 175.9490 101 D 5.2524 8.8890 125.4547 53.3520 40.2569 176.4914 102 T 4.2320 8.7004 113.8368 62.9075 69.0032 175.9810 103 N 4.4552 8.3761 119.4505 55.1692 38.8942 174.9924 104 K 4.3967 8.0406 118.7428 54.1121 34.0809 175.1812 *106 K 4.0595 8.3700 123.9219 57.4895 33.0057 175.0915 107 D 4.5232 9.7788 125.5700 55.5877 38.5541 174.5978 108 G 4.0139 8.4320 103.8154 45.8208 0.0000 173.4358 109 E 5.1061 8.1271 117.7069 54.4290 33.3222 174.5315 110 C 5.4661 8.4206 114.3761 54.7877 33.8447 171.4967 111 P 4.8249 0.0000 0.0000 62.8428 33.0307 174.7309 112 V 4.6953 8.3958 120.5366 61.5005 33.3774 175.0725 113 V 4.9362 8.8455 120.1205 59.5690 36.3851 173.7501 114 E 4.9354 9.0460 123.6891 54.6597 31.5321 174.4769 115 W 4.9160 9.2855 135.0000 55.4555 33.1463 173.8337 116 D 4.8372 8.6137 128.9088 54.0032 41.2386 177.4245 117 R 3.9247 8.8985 125.0326 58.9442 30.1123 177.9791 118 V 4.0733 8.4826 117.9550 64.3223 32.2413 176.6311 119 I 4.1155 7.9230 109.1802 60.0480 39.3057 177.2412 120 G 2.0000 7.4792 109.4799 44.9085 0.0000 173.7369 121 Y 4.5744 7.6331 127.3003 57.2364 39.2731 174.8449 122 Q 4.7612 9.0131 126.2267 56.2594 30.9872 179.3174 123 D 4.6963 9.0984 127.9202 55.2732 42.2714 174.2304 124 T 4.7266 8.4828 118.3116 63.0703 69.4327 175.2888 125 V 4.3497 8.6395 118.3667 61.3296 33.9724 175.5227 126 A 4.6155 7.3682 120.6146 51.3235 21.5687 176.5297 127 D 4.6498 8.6552 119.4613 55.7930 41.7404 177.2411 128 S 5.1190 7.4950 114.3455 56.2966 66.8058 174.6907 129 F 4.0835 8.9142 124.7881 61.8455 39.0719 177.3532 130 I 3.5597 7.7082 118.0147 63.8476 37.7279 177.6667 131 E 3.9200 8.0652 119.4232 59.2554 29.3291 178.7330 132 F 4.0323 8.0844 120.6162 61.4600 39.3178 176.9770 133 F 3.8694 8.1264 120.1486 61.3257 39.1441 176.4373 134 Y 3.8383 8.1829 119.5413 60.4603 38.5151 177.2379 135 N 3.8393 7.8846 117.9096 56.6237 38.9192 176.7841 136 K 3.6923 7.4542 119.7672 59.4414 32.0765 179.4313 137 I 3.7085 7.3946 113.2804 63.8934 37.3892 178.3149 138 Q 3.7587 7.4017 119.7752 58.6506 28.4026 178.4866 139 E 3.7899 8.0334 119.3429 59.4282 29.6318 179.4019 140 A 4.0325 8.2619 121.1011 54.8503 18.3382 179.5056 141 K 2.4800 8.0397 118.2855 59.3539 31.9820 178.7205 142 D 4.1879 7.6301 117.9623 57.5057 40.7890 178.2747 143 D 4.0581 7.8557 118.3908 56.0575 40.7100 177.2754 144 W 4.5703 7.2029 117.0180 57.6349 31.4331 176.3167 145 D 4.6559 7.9526 117.4612 53.4638 40.8914 175.9066 146 E 4.0400 8.6242 123.7063 56.1346 30.2785 176.5245 147 D 4.3983 8.3290 125.3698 54.0424 41.5951 175.8797 148 E 3.3978 8.0908 122.2013 56.1848 29.6634 176.8498 149 D 4.5568 8.4022 122.8160 54.3740 41.5047 175.9652 150 W 4.9454 7.1443 115.7021 54.5254 30.9038 174.4210 151 D 4.9871 8.6053 118.5089 52.8120 42.7782 176.4379 152 D 4.6784 8.6448 120.7823 54.6307 41.0863 176.5334 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 0 G 8.21 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 *2 I 7.55 3.73 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.08 0.28 0.00 0.00 3 Y 7.36 3.47 0.00 2.97 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.28 0.00 3.88 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 5 K 7.85 3.98 0.00 1.49 1.56 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.42 7.81 6 V 7.79 3.57 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 1.57 0.00 0.00 0.49 0.00 0.00 7 E 8.76 4.51 0.00 2.44 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 3.04 3.15 0.00 8 N 8.91 4.47 0.00 2.93 2.98 0.00 0.00 6.65 7.86 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 9 F 8.46 4.11 0.00 3.33 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 10 I 8.51 4.06 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.22 1.01 0.00 0.00 11 N 8.37 4.36 0.00 2.89 3.13 0.00 0.00 7.29 8.49 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 12 E 8.02 4.40 0.00 1.96 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 2.35 2.54 0.00 13 N 7.82 5.28 0.00 2.57 2.68 0.00 0.00 6.95 7.57 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 14 K 7.86 4.42 0.00 2.06 2.29 0.00 1.70 0.00 0.00 2.01 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.83 1.52 7.81 15 Q 8.23 4.04 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 16 N 7.58 5.08 0.00 2.53 2.67 0.00 0.00 6.86 7.35 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 17 A 7.54 4.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 4.39 1.77 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 1.21 1.56 0.79 0.00 0.00 19 F 9.00 5.85 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.67 3.97 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 1.04 0.00 0.00 21 E 8.42 4.61 0.00 2.05 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 0.00 2.37 2.40 0.00 22 G 8.88 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 23 A 8.47 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.76 4.35 0.00 3.92 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 25 H 8.88 3.96 0.00 3.19 3.32 0.00 5.87 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 26 E 8.07 3.90 0.00 2.00 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 2.39 2.40 0.00 27 N 8.19 4.16 0.00 2.47 2.17 0.00 0.00 7.01 7.91 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 28 I 7.93 3.73 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.84 0.00 0.00 29 G 8.28 3.52 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 0.00 0.00 0.00 30 R 8.14 3.87 0.00 1.99 2.10 0.00 3.17 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 1.66 1.74 0.00 31 I 7.80 3.72 2.01 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 1.60 0.66 0.97 0.00 0.00 32 E 8.49 4.08 0.00 1.98 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 2.43 2.49 0.00 33 E 8.13 3.93 0.00 2.01 2.15 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 2.32 2.40 0.00 34 N 8.32 4.52 0.00 2.78 2.88 0.00 0.00 7.12 8.32 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 35 L 8.52 4.17 0.00 1.80 1.70 0.95 0.77 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 36 Q 7.80 3.54 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 37 C 7.33 4.90 0.00 2.95 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 38 D 8.63 4.68 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 39 L 8.78 4.69 0.00 1.78 1.76 1.05 1.08 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 40 P 0.00 4.68 0.00 2.58 2.26 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 41 N 9.12 4.43 0.00 3.04 3.03 0.00 0.00 7.03 7.11 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 42 S 9.03 4.73 0.00 4.36 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 3.92 0.00 2.83 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 44 K 8.36 3.80 0.00 2.06 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.70 7.81 45 W 8.64 4.12 0.00 3.39 3.78 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 46 F 8.35 4.02 0.00 3.56 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 47 L 7.70 3.60 0.00 1.59 1.43 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.98 4.00 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 49 K 6.97 3.39 0.00 0.79 0.74 0.00 1.17 0.00 0.00 0.92 0.00 0.00 3.12 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.57 7.81 50 Y 7.28 4.15 0.00 1.88 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 0.00 0.00 0.00 51 G 9.40 4.01 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 0.00 0.00 0.00 52 A 7.78 4.87 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.06 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.53 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.45 0.00 1.40 1.55 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.38 4.14 0.00 3.34 3.13 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 0.00 0.00 0.00 57 G 8.53 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 0.00 0.00 0.00 58 V 7.82 4.28 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 1.13 0.00 0.00 1.00 0.00 0.00 59 L 8.20 5.24 0.00 1.62 1.62 0.93 0.80 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 60 V 8.85 4.68 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 0.92 0.00 0.00 0.96 0.00 0.00 61 L 9.18 4.58 0.00 1.61 1.75 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.47 4.34 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 0.00 63 Y 9.25 4.88 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 64 N 7.68 4.42 0.00 2.23 2.42 0.00 0.00 6.81 8.98 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 65 F 6.71 3.92 0.00 3.04 3.03 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 66 D 7.36 4.95 0.00 2.76 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 67 H 6.98 4.37 0.00 3.43 3.35 0.00 5.20 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 68 A 7.98 4.81 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 S 8.97 4.15 0.00 4.14 4.22 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 70 V 7.86 3.63 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 0.92 0.00 0.00 0.99 0.00 0.00 71 V 7.75 3.57 2.24 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 1.14 0.00 0.00 0.98 0.00 0.00 72 N 8.34 4.33 0.00 2.82 2.89 0.00 0.00 7.10 7.60 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 73 R 8.40 4.12 0.00 1.88 2.02 0.00 3.60 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 74 T 7.95 3.83 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 1.20 0.00 0.00 75 N 8.59 4.32 0.00 2.95 2.88 0.00 0.00 6.70 7.21 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 76 E 8.58 3.95 0.00 2.19 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 0.00 2.37 2.30 0.00 77 Y 8.48 3.94 0.00 3.26 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 78 K 8.13 3.94 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.60 7.81 79 E 8.07 3.99 0.00 1.88 1.96 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 2.14 2.01 0.00 80 H 7.94 4.39 0.00 1.71 2.02 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.37 4.98 0.00 2.91 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 82 G 8.61 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 83 L 7.17 2.59 0.00 1.43 1.42 -0.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.35 4.01 4.22 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 1.35 0.00 0.00 85 D 8.56 4.49 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 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 87 L 7.21 4.73 0.00 1.59 1.37 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.14 4.23 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 0.89 0.00 0.00 0.87 0.00 0.00 89 V 8.47 3.96 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 0.48 0.00 0.00 0.46 0.00 0.00 90 I 8.84 4.39 1.72 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 0.90 1.23 0.22 0.00 0.00 91 E 7.94 4.92 0.00 2.30 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 2.43 2.69 0.00 92 D 8.80 5.00 0.00 2.69 2.56 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 93 V 7.81 4.23 0.67 0.00 0.00 0.00 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 0.63 0.00 0.00 94 D 7.90 4.93 0.00 3.04 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 95 Y 7.45 4.63 0.00 3.10 3.04 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 96 F 7.54 5.41 0.00 3.16 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 97 A 9.15 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.46 5.02 0.00 2.94 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 99 C 9.15 5.18 0.00 2.66 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 0.00 100 L 8.58 4.52 0.00 1.42 1.50 0.39 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.89 5.25 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 4.23 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 0.00 103 N 8.38 4.46 0.00 2.94 2.97 0.00 0.00 6.82 8.61 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 0.00 104 K 8.04 4.40 0.00 2.03 1.75 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 *106 K 8.37 4.06 0.00 1.93 1.75 0.00 1.98 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 107 D 9.78 4.52 0.00 2.86 2.74 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 0.00 108 G 8.43 4.01 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 0.00 0.00 0.00 109 E 8.13 5.11 0.00 1.97 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 2.30 2.41 0.00 110 C 8.42 5.47 0.00 3.21 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 0.00 111 P 0.00 4.82 0.00 2.18 2.26 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 112 V 8.40 4.70 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 0.11 0.00 0.00 0.77 0.00 0.00 113 V 8.85 4.94 1.72 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 0.66 0.00 0.00 0.54 0.00 0.00 114 E 9.05 4.94 0.00 2.01 1.74 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 2.11 1.65 0.00 115 W 9.29 4.92 0.00 3.39 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 0.00 116 D 8.61 4.84 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.90 3.92 0.00 1.50 1.28 0.00 2.61 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.43 0.00 118 V 8.48 4.07 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 0.82 0.00 0.00 0.97 0.00 0.00 119 I 7.92 4.12 1.78 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 1.45 0.63 0.87 0.00 0.00 120 G 7.48 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 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 7.63 4.57 0.00 3.06 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 0.00 122 Q 9.01 4.76 0.00 2.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 123 D 9.10 4.70 0.00 2.62 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 0.00 124 T 8.48 4.73 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 1.32 0.00 0.00 125 V 8.64 4.35 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 0.84 0.00 0.00 0.97 0.00 0.00 126 A 7.37 4.62 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 0.00 127 D 8.66 4.65 0.00 2.85 2.75 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 0.00 128 S 7.50 5.12 0.00 4.25 3.94 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 0.00 129 F 8.91 4.08 0.00 3.24 3.31 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 0.00 130 I 7.71 3.56 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.04 0.68 0.00 0.00 131 E 8.07 3.92 0.00 2.24 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 0.00 2.30 2.26 0.00 132 F 8.08 4.03 0.00 2.96 3.12 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 0.00 0.00 0.00 0.00 133 F 8.13 3.87 0.00 2.24 2.74 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 0.00 134 Y 8.18 3.84 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 7.88 3.84 0.00 2.70 2.72 0.00 0.00 7.25 6.21 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 0.00 136 K 7.45 3.69 0.00 1.51 1.59 0.00 1.64 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.79 0.65 7.81 137 I 7.39 3.71 1.91 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.31 0.40 0.00 0.00 138 Q 7.40 3.76 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 1.71 1.37 0.00 139 E 8.03 3.79 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 140 A 8.26 4.03 1.57 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 0.00 141 K 8.04 2.48 0.00 1.84 1.97 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.16 7.81 142 D 7.63 4.19 0.00 2.76 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 0.00 143 D 7.86 4.06 0.00 2.38 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 W 7.20 4.57 0.00 3.37 3.36 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 0.00 145 D 7.95 4.66 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.62 4.04 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 2.29 2.34 0.00 147 D 8.33 4.40 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.09 3.40 0.00 1.18 1.12 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 0.00 1.62 1.93 0.00 149 D 8.40 4.56 0.00 2.86 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 0.00 150 W 7.14 4.95 0.00 3.39 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 0.00 151 D 8.61 4.99 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.64 4.68 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.