NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-10 H 4.6715 8.4293 117.3747 54.4746 29.4001 172.8420 -9 S 4.5481 8.1187 118.3141 54.0243 65.1654 173.2854 -8 S 4.1181 9.0011 114.8614 61.6432 63.1266 177.4888 -7 G 3.6690 8.0108 107.6709 46.6533 0.0000 172.8106 -6 L 4.1850 7.2896 122.3626 53.8873 42.6708 176.1717 -5 V 3.8525 8.2969 126.2606 61.4663 31.5853 173.7921 -4 P 4.3045 0.0000 0.0000 63.2963 31.9848 177.8617 -3 R 3.4267 8.8282 120.6033 59.7032 29.1549 178.5395 -2 G 3.8339 8.1271 106.8447 47.4560 0.0000 174.4629 -1 S 4.7653 8.3827 116.0789 57.8869 63.7934 180.6510 0 H 4.2322 8.5971 122.8606 61.0781 28.4028 177.4055 1 M 4.3136 7.9480 114.4490 55.6276 31.7901 178.4639 2 S 4.2373 7.4378 111.8141 59.6282 63.4364 174.0621 3 T 4.4389 8.2060 116.9256 61.0923 68.7503 173.6079 4 T 4.5643 8.0994 114.4220 59.6235 70.8836 173.8546 5 L 4.5478 8.1708 124.1560 52.8415 44.1263 175.8596 6 A 4.2754 8.4481 128.6762 52.1524 19.5328 175.7382 7 I 5.0456 8.2074 120.7823 59.3140 41.7924 174.1432 8 V 4.3223 8.9342 128.2000 61.2276 34.0898 174.8367 9 R 4.6987 8.6824 127.4933 55.1632 28.9395 176.0954 10 L 4.0233 8.6039 124.8978 56.6803 42.9040 176.6943 11 D 4.7120 8.2192 119.0379 51.8282 40.6668 174.4356 12 P 4.5265 0.0000 0.0000 63.4425 31.6541 177.7763 13 G 3.7659 8.2172 106.9836 46.2667 0.0000 173.8883 14 L 4.4132 7.2316 119.6025 52.1237 43.2565 174.9003 15 P 4.3243 0.0000 0.0000 62.2495 31.8982 176.4566 16 L 4.2106 8.1973 120.5625 54.0309 42.2006 175.5155 17 P 4.7907 0.0000 0.0000 62.7646 31.9763 175.6141 18 S 4.8111 8.4780 116.6106 56.5909 67.2929 172.7017 19 R 4.7649 8.4806 119.3981 55.4244 30.0566 177.1650 20 A 4.0551 8.7581 127.0165 54.9255 19.0589 176.8791 21 H 4.9265 8.2302 111.0997 53.7451 33.1105 172.3741 22 D 4.5100 8.6287 121.0444 56.0190 41.2688 177.1960 23 G 3.9854 8.9041 113.4226 45.4579 0.0000 173.4482 24 D 4.4036 7.9112 119.6500 54.3688 41.3767 176.7419 25 A 4.0873 8.8257 126.4254 54.3465 18.6964 177.6101 26 G 4.2825 7.7739 100.2780 44.5326 0.0000 173.0027 27 V 4.6803 8.3953 113.5852 59.5474 34.2472 174.9506 28 N 4.9625 8.5783 121.6898 52.4189 39.9513 174.4008 29 L 4.3673 8.6735 124.5780 54.2586 43.5798 175.7785 30 Y 5.0314 8.3954 119.9710 56.6722 40.6980 174.5678 31 S 4.9038 8.9539 117.3987 58.1857 63.1775 174.7496 32 A 4.4366 9.1504 129.4142 53.6405 18.5594 176.6835 33 E 4.7910 8.2010 112.2317 54.3864 33.3036 174.9504 34 D 5.0462 8.6729 120.8666 54.0643 41.8741 176.3878 35 V 4.5634 8.9109 122.3013 60.1731 35.3507 173.0823 36 E 5.0613 8.7952 123.3972 54.4229 32.1190 174.7555 37 L 4.7277 8.7600 126.8147 52.6092 44.1328 176.1530 38 A 4.4249 8.5513 125.9740 50.7631 20.0031 174.7060 39 P 4.2420 0.0000 0.0000 64.6753 31.6335 177.3828 40 G 3.9531 9.2380 112.0586 45.2527 0.0000 173.4806 41 R 4.6692 7.9919 119.3929 55.1812 32.2040 175.5270 42 R 5.2433 8.3143 115.8514 54.8845 33.0194 174.0364 43 A 4.6499 8.9496 120.3154 50.6157 23.2830 175.2894 44 L 4.6853 8.5349 122.6853 53.7663 43.1743 175.5397 45 V 4.5274 8.4717 127.7719 60.9288 33.6133 175.2005 46 R 4.4979 9.1340 128.0413 56.8256 30.5465 177.3230 47 T 4.9268 8.0929 112.8515 60.3766 70.0723 176.0826 48 G 3.9711 9.1704 111.3382 45.7135 0.0000 173.0608 49 V 5.1354 7.5460 111.9871 59.2772 36.0442 174.4682 50 A 5.2067 8.9229 123.3666 50.4599 22.4837 175.5410 51 V 4.8630 8.3942 111.5192 59.7863 36.2482 175.7287 52 A 4.6571 8.4114 124.4493 49.3338 18.8452 175.2035 53 V 3.5939 8.0901 119.9094 62.3348 32.6294 174.2013 54 P 4.4834 0.0000 0.0000 61.9415 31.9695 175.5728 55 F 4.1603 8.6703 123.6229 60.0782 39.7836 175.5666 56 G 3.7449 8.4027 115.4136 45.3458 0.0000 172.0529 57 M 5.2745 7.5122 117.8722 53.2613 36.1151 174.6521 58 V 4.5183 8.9069 118.3722 60.2230 35.3357 174.6412 59 G 4.4690 8.8388 109.7318 44.8832 0.0000 172.5271 60 L 5.3175 8.9466 122.4755 52.7201 45.9191 175.5951 61 V 4.5804 8.7844 124.6545 61.9540 32.9275 174.2105 62 H 5.2950 8.9766 125.6513 53.3054 31.7022 172.6634 63 P 4.7326 0.0000 0.0000 62.4003 32.3011 176.4959 64 R 4.2098 8.4512 121.7093 55.8010 31.2480 178.1416 65 S 4.2291 8.8181 117.8870 61.3874 63.0760 176.9156 66 G 3.6006 8.0088 108.8954 47.7077 0.0000 175.5226 67 L 4.0087 7.9059 121.5646 56.9046 41.5253 179.2131 68 A 4.4863 7.6772 121.8961 54.9816 18.1041 179.9434 69 T 3.8279 7.6936 112.5004 66.8738 68.6987 177.1466 70 R 4.1423 8.1411 118.9324 58.6664 30.2484 178.0129 71 V 4.3056 7.6531 106.9905 60.1718 33.6855 176.1401 72 G 3.8249 8.1913 108.5252 45.8046 0.0000 172.6383 73 L 4.5731 7.7308 122.0948 54.6980 43.5514 175.7381 74 S 5.1209 8.9829 119.9718 56.9094 67.1814 171.6541 75 I 4.9530 8.0085 119.6473 59.4915 39.6182 176.9669 76 V 3.5375 8.9338 128.5060 65.7833 31.4371 176.5610 77 N 4.8305 7.8636 114.1052 52.4596 37.5535 174.6913 78 S 4.2437 7.6702 113.8305 58.3718 62.9100 171.7380 79 P 4.6727 0.0000 0.0000 62.0923 32.2760 176.1942 80 G 3.7049 9.0783 111.8931 46.6902 0.0000 172.3066 81 T 4.9101 8.4384 121.0927 61.9072 70.4129 174.0205 82 I 4.2407 8.8620 128.9970 59.5137 39.0281 175.5365 83 D 4.7845 8.5654 127.1907 53.3247 41.7410 177.3406 84 A 4.2917 8.2387 124.6461 54.6178 18.2671 179.1279 85 G 3.8547 7.9941 101.7889 46.5696 0.0000 173.0146 86 Y 4.3738 7.9946 122.5202 57.5189 39.0341 175.0784 87 R 4.3250 8.0315 124.2026 55.6324 31.3708 175.7912 88 G 3.4692 5.5738 107.7577 43.8220 0.0000 173.0577 89 E 4.2304 8.3323 120.1333 55.8730 30.4272 176.1164 90 I 4.1950 8.8922 127.7888 61.3455 38.1427 175.1128 91 K 5.0101 8.7505 125.8827 54.4944 35.5107 175.5972 92 V 4.1979 8.8255 124.0087 61.1304 33.5712 175.1103 93 A 4.8340 8.4280 131.6448 50.9229 17.2204 175.7495 94 L 4.6124 8.4421 121.4409 54.4415 43.6240 176.1450 95 I 4.9179 8.5561 121.5822 59.4754 42.2217 173.5066 96 N 4.9183 9.0389 128.0953 52.6694 39.3806 174.6048 97 L 4.5223 8.6578 126.2304 54.5976 42.3696 176.8779 98 D 4.5640 8.6134 119.8424 53.3186 41.7413 174.8211 99 P 4.4467 0.0000 0.0000 64.5894 31.8021 177.0563 100 A 4.4910 8.1218 116.2435 51.8413 22.5301 175.6949 101 A 4.6630 8.7855 119.5017 49.4814 20.4338 174.9520 102 P 4.6724 0.0000 0.0000 63.0913 32.5616 175.6704 103 I 4.4812 8.6314 122.0943 59.6090 39.7467 174.5985 104 V 4.5829 8.4014 126.7830 61.1558 33.1816 174.6633 105 V 4.4116 8.8678 128.2055 61.4785 33.8549 173.9469 106 H 5.3991 9.4636 124.8098 53.4670 31.7546 174.0731 107 R 4.0792 9.1474 121.8040 58.6319 30.1532 176.9228 108 G 4.0302 9.1887 114.1377 45.1929 0.0000 173.4782 109 D 4.7033 8.2124 120.2066 54.2792 42.2569 175.7887 110 R 4.5874 8.5735 121.4339 55.8660 30.4581 176.2621 111 I 4.5362 8.3392 116.3235 60.3696 39.1668 174.5315 112 A 4.6102 7.2937 123.5270 51.6968 22.5907 174.6359 113 Q 4.9844 8.9835 116.9581 54.3691 32.2558 174.3941 114 L 5.0119 9.1137 123.5570 53.5822 44.2772 175.3382 115 L 4.9040 8.6984 126.5907 53.2885 44.5161 175.6688 116 V 4.8898 8.1582 120.0881 61.4187 34.1236 174.6576 117 Q 4.7369 8.9106 125.4656 53.7908 33.2021 175.1328 118 R 4.6400 8.6052 120.2415 56.5675 30.9632 176.4337 119 V 4.5180 8.2683 120.1139 60.0348 34.8306 174.8580 120 E 4.2409 8.6957 122.4374 55.7879 29.8429 177.4224 121 L 4.3100 8.1156 125.4732 53.4426 40.3573 176.6042 122 V 3.7486 7.7218 115.2009 60.8405 32.5097 175.5232 123 E 4.4447 8.4499 124.0994 54.3603 30.1679 175.8174 124 L 4.0590 8.4565 127.0140 54.6703 42.2741 176.8647 125 V 4.2103 8.1251 122.3979 60.7330 32.6148 174.3869 126 E 4.1914 8.6404 128.7503 55.8416 30.2091 176.1656 127 V 4.5713 7.9194 118.2046 59.4376 35.4409 175.7518 128 S 4.3158 8.5110 116.0038 60.3842 64.1564 174.3013 129 S 4.3795 7.2872 113.4949 56.7292 65.0325 175.1567 130 F 4.2447 8.3131 119.9301 60.4732 39.1511 177.5360 131 D 4.2962 7.7259 121.2561 58.2761 40.8532 178.2396 132 E 4.0593 7.8553 113.2020 58.9488 29.7346 178.9413 133 A 4.2688 7.3834 125.2682 52.4925 19.4868 178.3498 130 R 3.9647 8.2431 120.1301 58.7732 30.4511 178.0360 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 *-10 H 8.43 4.67 0.00 2.95 2.92 0.00 7.16 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -9 S 8.12 4.55 0.00 4.07 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 -8 S 9.00 4.12 0.00 4.00 4.07 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 -7 G 8.01 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 L 7.29 4.18 0.00 1.62 1.72 0.94 0.95 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 -5 V 8.30 3.85 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 0.93 0.00 0.00 0.94 0.00 0.00 -4 P 0.00 4.30 0.00 2.21 1.96 0.00 3.71 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 -3 R 8.83 3.43 0.00 1.73 1.98 0.00 3.25 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.00 -2 G 8.13 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 0.00 0.00 0.00 -1 S 8.38 4.77 0.00 3.58 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 0 H 8.60 4.23 0.00 3.19 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.95 4.31 0.00 2.04 1.97 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 2.50 2.09 0.00 2 S 7.44 4.24 0.00 3.94 3.93 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 0.00 0.00 0.00 0.00 3 T 8.21 4.44 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 4 T 8.10 4.56 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 5 L 8.17 4.55 0.00 1.56 1.58 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.45 4.28 1.26 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 7 I 8.21 5.05 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.93 0.00 0.00 8 V 8.93 4.32 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 0.99 0.00 0.00 0.92 0.00 0.00 9 R 8.68 4.70 0.00 1.74 2.05 0.00 3.33 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 10 L 8.60 4.02 0.00 1.54 1.74 0.92 1.02 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 11 D 8.22 4.71 0.00 2.67 2.55 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 12 P 0.00 4.53 0.00 2.07 2.07 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 13 G 8.22 3.77 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 0.00 0.00 0.00 14 L 7.23 4.41 0.00 1.61 1.38 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.32 0.00 1.76 1.88 0.00 2.65 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 16 L 8.20 4.21 0.00 1.67 1.65 0.94 1.06 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 17 P 0.00 4.79 0.00 1.96 2.13 0.00 3.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 18 S 8.48 4.81 0.00 3.85 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 19 R 8.48 4.76 0.00 1.72 2.07 0.00 3.21 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 20 A 8.76 4.06 1.26 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 21 H 8.23 4.93 0.00 3.52 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.63 4.51 0.00 2.63 2.60 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 0.00 0.00 0.00 0.00 23 G 8.90 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 0.00 0.00 0.00 24 D 7.91 4.40 0.00 2.79 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 25 A 8.83 4.09 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 26 G 7.77 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 0.00 0.00 0.00 0.00 27 V 8.40 4.68 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 0.74 0.00 0.00 0.97 0.00 0.00 28 N 8.58 4.96 0.00 2.44 2.40 0.00 0.00 7.01 6.03 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 29 L 8.67 4.37 0.00 1.52 1.55 0.91 0.86 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 30 Y 8.40 5.03 0.00 2.89 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 31 S 8.95 4.90 0.00 3.94 3.79 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 32 A 9.15 4.44 1.35 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 0.00 0.00 33 E 8.20 4.79 0.00 1.94 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 2.21 2.29 0.00 34 D 8.67 5.05 0.00 2.60 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 35 V 8.91 4.56 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 0.76 0.00 0.00 0.93 0.00 0.00 36 E 8.80 5.06 0.00 1.94 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 0.00 2.16 2.43 0.00 37 L 8.76 4.73 0.00 1.59 1.55 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.55 4.42 1.24 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 0.00 0.00 0.00 39 P 0.00 4.24 0.00 2.04 2.18 0.00 3.70 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 2.08 2.14 0.00 40 G 9.24 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 41 R 7.99 4.67 0.00 1.82 1.84 0.00 3.23 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 42 R 8.31 5.24 0.00 1.87 1.84 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 43 A 8.95 4.65 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 44 L 8.53 4.69 0.00 1.64 1.61 0.92 0.90 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 45 V 8.47 4.53 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 0.94 0.00 0.00 0.94 0.00 0.00 46 R 9.13 4.50 0.00 1.85 2.12 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 47 T 8.09 4.93 4.35 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 1.27 0.00 0.00 48 G 9.17 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 49 V 7.55 5.14 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 0.80 0.00 0.00 0.98 0.00 0.00 50 A 8.92 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.39 4.86 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 0.77 0.00 0.00 1.00 0.00 0.00 52 A 8.41 4.66 1.22 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 0.00 0.00 53 V 8.09 3.59 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 1.03 0.00 0.00 0.99 0.00 0.00 54 P 0.00 4.48 0.00 2.25 2.00 0.00 3.68 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 2.13 2.09 0.00 55 F 8.67 4.16 0.00 3.01 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 56 G 8.40 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 57 M 7.51 5.27 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 58 V 8.91 4.52 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 0.80 0.00 0.00 0.93 0.00 0.00 59 G 8.84 4.47 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 0.00 0.00 0.00 60 L 8.95 5.32 0.00 1.45 1.54 0.94 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 61 V 8.78 4.58 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 1.03 0.00 0.00 0.92 0.00 0.00 62 H 8.98 5.29 0.00 3.05 3.12 0.00 5.69 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 63 P 0.00 4.73 0.00 1.92 1.97 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 64 R 8.45 4.21 0.00 1.86 1.83 0.00 3.06 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 65 S 8.82 4.23 0.00 4.04 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 66 G 8.01 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.91 4.01 0.00 1.69 1.73 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.68 4.49 1.39 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 0.00 0.00 0.00 69 T 7.69 3.83 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 70 R 8.14 4.14 0.00 1.88 1.99 0.00 3.11 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 1.67 1.76 0.00 71 V 7.65 4.31 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 0.69 0.00 0.00 0.98 0.00 0.00 72 G 8.19 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 73 L 7.73 4.57 0.00 1.79 1.54 0.97 0.58 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 74 S 8.98 5.12 0.00 3.88 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 75 I 8.01 4.95 1.86 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 1.22 1.10 0.93 0.00 0.00 76 V 8.93 3.54 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 0.76 0.00 0.00 0.99 0.00 0.00 77 N 7.86 4.83 0.00 2.84 2.85 0.00 0.00 5.95 7.64 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 78 S 7.67 4.24 0.00 3.97 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 79 P 0.00 4.67 0.00 2.15 1.98 0.00 3.80 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 1.97 1.94 0.00 80 G 9.08 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 81 T 8.44 4.91 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 1.17 0.00 0.00 82 I 8.86 4.24 1.94 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 1.32 1.10 1.00 0.00 0.00 83 D 8.57 4.78 0.00 2.74 2.60 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 0.00 0.00 0.00 0.00 84 A 8.24 4.29 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 85 G 7.99 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 86 Y 7.99 4.37 0.00 2.85 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 87 R 8.03 4.33 0.00 1.64 1.76 0.00 3.38 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 88 G 5.57 3.47 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 0.00 0.00 0.00 89 E 8.33 4.23 0.00 1.96 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 0.00 2.35 2.55 0.00 90 I 8.89 4.19 1.94 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 1.36 0.93 0.95 0.00 0.00 91 K 8.75 5.01 0.00 1.62 1.70 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.65 7.81 92 V 8.83 4.20 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 1.02 0.00 0.00 0.94 0.00 0.00 93 A 8.43 4.83 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 94 L 8.44 4.61 0.00 1.59 1.59 0.92 1.08 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 95 I 8.56 4.92 1.86 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 1.11 1.63 0.90 0.00 0.00 96 N 9.04 4.92 0.00 2.81 2.84 0.00 0.00 7.02 6.28 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 97 L 8.66 4.52 0.00 1.68 1.66 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.61 4.56 0.00 2.77 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 99 P 0.00 4.45 0.00 2.08 2.09 0.00 3.69 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 2.02 2.07 0.00 100 A 8.12 4.49 1.22 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 0.00 0.00 101 A 8.79 4.66 1.22 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 0.00 0.00 102 P 0.00 4.67 0.00 2.08 2.07 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 103 I 8.63 4.48 1.86 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 1.11 0.71 0.90 0.00 0.00 104 V 8.40 4.58 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 0.58 0.00 0.00 0.91 0.00 0.00 105 V 8.87 4.41 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 1.01 0.00 0.00 0.92 0.00 0.00 106 H 9.46 5.40 0.00 3.42 3.17 0.00 5.90 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 0.00 107 R 9.15 4.08 0.00 1.73 1.90 0.00 3.40 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 108 G 9.19 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 0.00 109 D 8.21 4.70 0.00 2.73 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 0.00 110 R 8.57 4.59 0.00 1.63 1.69 0.00 2.98 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.56 0.00 111 I 8.34 4.54 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 1.24 0.65 0.98 0.00 0.00 112 A 7.29 4.61 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 0.00 113 Q 8.98 4.98 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 114 L 9.11 5.01 0.00 1.70 1.53 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.70 4.90 0.00 1.54 1.48 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.16 4.89 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 0.81 0.00 0.00 0.93 0.00 0.00 117 Q 8.91 4.74 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 118 R 8.61 4.64 0.00 1.68 1.84 0.00 3.15 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 119 V 8.27 4.52 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 0.62 0.00 0.00 0.89 0.00 0.00 120 E 8.70 4.24 0.00 1.96 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 0.00 2.27 2.25 0.00 121 L 8.12 4.31 0.00 1.58 1.59 0.31 0.85 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 0.00 122 V 7.72 3.75 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 0.71 0.00 0.00 0.93 0.00 0.00 123 E 8.45 4.44 0.00 1.94 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 2.24 2.33 0.00 124 L 8.46 4.06 0.00 1.69 1.61 0.93 0.91 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 0.00 125 V 8.13 4.21 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 0.82 0.00 0.00 0.95 0.00 0.00 126 E 8.64 4.19 0.00 1.96 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 2.25 2.29 0.00 127 V 7.92 4.57 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 0.84 0.00 0.00 0.84 0.00 0.00 128 S 8.51 4.32 0.00 3.92 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 S 7.29 4.38 0.00 3.91 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 0.00 130 F 8.31 4.24 0.00 3.14 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 0.00 131 D 7.73 4.30 0.00 2.72 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 0.00 132 E 7.86 4.06 0.00 1.96 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 0.00 2.27 2.17 0.00 133 A 7.38 4.27 1.31 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 0.00 0.00 130 R 8.24 3.96 0.00 1.86 1.80 0.00 2.21 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.