NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.2067 8.2649 123.5688 51.9525 19.0676 174.8721 13 I 3.1489 7.5614 121.1057 58.9994 38.1642 173.7946 14 P 3.8965 0.0000 0.0000 62.2619 32.6799 174.9830 15 E 4.0248 8.4735 122.3152 57.9446 30.1964 177.2585 16 G 3.7459 9.1512 113.7371 44.7107 0.0000 172.4300 17 F 5.4828 7.6090 117.5202 55.7029 41.6146 175.1945 18 S 5.0215 9.1962 115.6767 56.3619 66.7692 173.0003 19 Q 4.0966 8.8652 122.8625 56.1836 29.4177 175.6108 20 L 4.0444 8.3987 126.6722 54.1803 42.8270 176.3859 21 N 4.6059 7.7864 118.5844 51.2913 41.1091 173.9956 22 W 4.8280 8.6763 125.1461 55.7016 31.8395 176.7452 23 S 4.5953 8.6699 116.3805 59.2962 62.7014 174.6779 24 R 4.4642 7.8953 112.7608 56.4441 31.5054 174.3401 25 G 3.7882 8.5241 105.5435 44.9334 0.0000 173.7823 26 F 4.3163 8.5090 118.8463 60.9991 39.2374 177.4325 27 G 2.2404 7.3753 105.0507 47.3434 0.0000 175.4389 28 R 4.0769 7.3914 119.4417 59.1517 30.2789 177.9303 29 Q 4.0736 7.3837 116.7915 58.1232 28.7844 178.0187 30 I 4.2585 6.7287 110.2414 60.8817 38.3364 176.6831 31 G 3.9601 7.4570 107.4975 42.8472 0.0000 171.2241 32 P 4.4327 0.0000 0.0000 62.4409 32.1454 175.9816 33 L 5.1971 8.2641 121.4296 53.1113 45.4412 175.2263 34 F 5.4840 9.9157 119.5190 55.7413 43.2737 173.8729 35 E 5.3926 9.3627 119.9663 54.7477 32.5040 174.7768 36 H 4.3326 8.9229 122.4474 55.5727 30.6327 175.1899 37 R 4.1750 8.6406 121.8385 55.6828 30.6905 175.7242 38 E 4.1430 8.5699 120.4767 57.5272 30.7038 177.0187 39 G 3.8439 8.7478 108.4209 43.3255 0.0000 170.3801 40 P 4.2678 0.0000 0.0000 64.6282 31.7433 176.6973 41 G 3.7573 8.9303 110.3506 45.1360 0.0000 174.6179 42 Q 4.0623 8.1849 121.0358 58.3164 29.0438 178.0800 43 A 4.2400 7.8839 118.1628 53.5182 18.9250 177.0562 44 R 4.7611 8.2703 116.8325 55.5849 31.7527 176.1420 45 L 5.5125 8.5682 122.3480 53.5998 45.0878 175.0495 46 A 4.8892 9.3810 121.2010 50.8783 22.8650 175.2576 47 F 5.1711 7.6555 113.4690 55.2948 41.9501 173.1397 48 R 4.7312 8.6472 120.4658 54.6944 31.5577 175.8683 49 V 3.9064 8.3453 127.0753 63.4117 32.5473 174.7828 50 E 4.9580 9.0022 126.3710 54.0289 33.3471 176.6529 51 E 3.8851 8.8485 120.9076 59.6946 29.6590 177.7754 52 H 4.5914 7.9454 111.2426 56.7798 29.1209 175.2649 53 H 4.5909 8.2623 118.2550 56.7421 29.2288 175.2790 54 T 4.8761 7.3981 109.5972 60.3637 70.2986 174.0294 55 N 4.6916 8.9968 117.5215 52.7328 37.2231 176.3759 56 G 4.0061 8.1316 106.9822 46.0431 0.0000 174.2149 57 L 4.6670 8.4629 118.2295 54.2584 42.8808 177.7186 58 G 4.0034 8.6606 107.3751 45.0741 0.0000 172.9574 59 N 5.4643 7.7756 116.5927 50.9454 42.0931 173.5379 60 C 4.6362 8.7638 123.5717 59.8309 30.9227 172.8734 61 H 4.2718 9.4361 127.0966 55.9477 30.0445 176.6272 62 G 4.0200 8.7623 114.3720 48.6308 0.0000 175.4609 63 G 3.8857 7.6351 105.8694 46.0526 0.0000 173.8469 *65 L 4.2070 7.8778 117.6572 54.5135 43.5103 179.3593 *67 S 4.4114 8.1100 116.0280 58.7195 64.7959 176.1751 68 F 3.9622 8.2636 120.1625 61.0842 39.5242 175.8503 69 A 3.0195 8.1703 123.7970 54.8757 18.2053 178.7492 70 D 4.2700 7.3122 111.6237 56.1547 41.3529 177.5761 *72 A 4.0734 8.0212 121.1182 52.3853 19.9806 179.4265 73 W 4.3388 8.2590 116.2577 59.7907 29.1604 179.2251 74 G 2.0000 7.6175 105.3440 46.4408 0.0000 175.2913 75 R 3.9156 7.2697 120.8664 59.6524 29.7628 178.0694 76 I 3.5438 7.1120 118.4887 64.7211 37.1512 178.1805 77 I 3.1450 7.0369 119.9883 64.1232 36.7240 178.5441 78 S 4.2223 7.9163 115.4974 61.7599 62.6485 176.7836 79 L 3.9392 8.0261 121.4845 57.9937 41.1875 179.6686 80 Q 3.9387 8.0475 116.9366 58.1822 28.7061 177.5280 81 K 3.9738 7.5453 115.8379 54.7124 34.8432 176.1479 82 S 3.7847 7.8088 114.8201 59.7813 60.9506 171.0562 83 Y 5.5971 7.4402 115.2798 56.1811 40.4169 177.3590 84 S 4.4526 8.9065 117.6631 58.6751 64.3414 173.0441 85 W 5.9471 7.8332 117.7374 55.5153 31.6092 173.9751 86 V 4.7647 9.2951 119.3513 60.0815 34.3421 174.9852 87 T 4.3931 9.2296 121.2423 64.3271 68.2864 173.9161 88 V 4.1982 8.7645 126.6259 64.1256 33.3944 176.0545 89 R 4.7075 7.4324 118.8661 54.8039 33.6500 173.5744 90 L 5.0438 8.1530 125.8480 53.7781 46.2068 174.7259 *92 C 4.5436 8.4489 117.6074 59.6661 29.2596 173.0450 93 D 5.1369 8.9692 124.6934 52.6938 42.9207 175.3100 94 F 4.9032 9.2827 122.5448 56.5006 39.4514 175.3862 95 L 4.6916 9.0807 125.1893 56.1753 43.0377 176.9230 96 S 4.5700 7.9913 111.0951 57.4564 65.4534 173.2151 97 G 4.3297 8.4673 107.7973 44.7248 0.0000 172.5406 98 A 5.1994 8.4651 121.1803 49.7087 22.6134 175.4002 99 K 5.0200 9.3804 118.7509 54.1287 36.5019 175.3292 100 L 3.9845 8.7486 122.7133 57.1177 42.0433 177.6075 101 G 3.9991 9.0847 114.6354 45.2639 0.0000 173.3308 102 D 4.4487 7.9446 120.6435 54.0268 41.9764 175.5054 103 W 4.7365 8.7150 132.9161 56.6351 31.8429 174.6926 104 V 4.1337 7.4373 128.3282 60.9236 33.2978 174.3625 105 E 4.6776 8.5498 125.9840 54.4180 33.9582 174.9693 106 G 4.5261 8.5185 107.7165 45.1075 0.0000 171.3698 107 E 5.1956 9.7094 123.3781 54.8810 33.6074 174.0165 108 G 4.4235 8.8477 112.0869 44.2737 0.0000 171.9219 109 E 4.7555 9.1615 119.7859 53.9200 32.1215 174.8933 110 L 4.3273 8.5486 126.6037 55.3465 42.1029 176.1223 111 I 4.2578 8.7789 128.5561 63.5761 37.9124 176.3177 112 S 4.6905 7.6826 114.0027 57.3219 66.4325 172.5041 113 E 4.8876 8.4382 120.9256 54.3976 32.4353 174.2294 114 E 4.4004 8.6756 124.5607 55.3025 31.5023 175.3997 115 D 4.1262 8.7520 120.5330 55.8782 40.3697 173.6641 *117 L 4.4252 7.5221 117.0499 54.6474 43.4359 175.6098 118 F 5.0813 9.5933 123.7148 56.1203 41.3595 174.8833 119 T 4.9631 8.9826 121.3777 61.9384 70.5956 173.7705 120 V 4.7403 8.9900 127.0035 61.0402 34.4264 174.1881 121 R 4.4997 8.6369 129.0018 55.4403 31.6695 175.3038 122 G 3.0019 8.4054 112.0194 44.2574 0.0000 171.3704 123 R 5.6354 8.6900 118.1288 54.5598 35.3332 174.3617 124 I 5.4148 9.2458 121.9304 59.5398 41.1372 174.6364 125 W 5.7212 9.1845 122.5132 54.9877 32.5212 174.0152 126 A 4.8581 8.5751 122.3270 48.3183 21.0082 177.7565 127 G 3.8729 9.1542 113.4136 48.1252 0.0000 173.7206 128 E 4.2854 9.1041 123.4070 56.4022 29.7841 175.8201 129 R 4.4464 8.0617 120.3236 54.9668 31.0621 175.6682 130 T 4.6452 8.5073 120.4942 63.2835 69.3735 174.3860 131 L 4.6322 9.2845 127.1867 56.0495 43.5087 177.1605 132 I 5.1424 7.7050 118.0087 59.9259 41.7797 174.1464 133 T 4.9579 8.3801 120.7536 60.6141 70.7025 173.4782 134 G 4.2733 7.8480 112.2699 46.7038 0.0000 171.6564 135 T 5.0675 8.8717 115.3666 61.6350 72.3055 174.0110 136 G 4.1919 9.3353 112.5938 44.2872 0.0000 171.8507 137 V 4.8673 8.3937 123.1521 60.7364 34.4850 174.1823 138 F 5.4321 9.1986 126.3178 55.5719 42.4842 174.0665 139 K 5.0238 9.5917 124.7157 54.7242 33.7082 175.1749 140 A 4.5772 9.1711 130.0982 52.4833 18.7090 175.5925 141 L 4.6196 9.4102 122.7458 55.2285 42.6962 176.9008 142 S 4.4322 8.4900 110.2556 56.6799 67.1638 172.9032 143 A 4.7909 8.4862 122.5035 52.8730 18.6801 176.7615 144 R 4.7608 8.6168 116.7890 53.7158 33.5210 174.8297 145 K 3.9969 8.6843 120.2271 55.8854 32.3792 174.6570 146 P 4.6775 0.0000 0.0000 62.8750 32.2215 175.7758 147 R 4.6075 8.8869 120.0790 53.2877 32.6123 174.1371 148 P 2.9700 0.0000 0.0000 64.1262 31.5620 177.0409 149 G 4.0173 8.5631 109.8803 46.4862 0.0000 173.5406 150 E 4.3033 7.8035 119.4794 55.2587 30.4685 177.2853 151 L 3.8869 8.5515 124.0094 58.3657 42.0873 178.3049 152 A 4.2357 7.8438 118.1601 53.2440 18.9548 176.3698 153 Y 4.2502 7.9207 122.1157 57.6352 38.8008 174.9123 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 12 A 8.26 4.21 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.56 3.15 1.83 0.00 0.00 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 1.25 0.68 0.82 0.00 0.00 14 P 0.00 3.90 0.00 1.53 1.52 0.00 2.20 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.00 0.00 15 E 8.47 4.02 0.00 2.17 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 2.29 1.89 0.00 16 G 9.15 3.75 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 0.00 0.00 0.00 17 F 7.61 5.48 0.00 3.18 3.26 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 18 S 9.20 5.02 0.00 3.90 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 19 Q 8.87 4.10 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.01 0.00 0.00 0.00 0.00 0.00 2.21 1.85 0.00 20 L 8.40 4.04 0.00 1.07 0.22 0.98 0.73 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 21 N 7.79 4.61 0.00 2.43 2.56 0.00 0.00 6.83 7.68 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 22 W 8.68 4.83 0.00 3.39 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 23 S 8.67 4.60 0.00 3.62 3.76 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 24 R 7.90 4.46 0.00 1.87 1.93 0.00 3.03 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 25 G 8.52 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 0.00 0.00 0.00 26 F 8.51 4.32 0.00 2.92 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 27 G 7.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.39 4.08 0.00 1.96 2.10 0.00 3.51 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 29 Q 7.38 4.07 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 30 I 6.73 4.26 1.51 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.23 0.13 0.00 0.00 31 G 7.46 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 0.00 0.00 0.00 32 P 0.00 4.43 0.00 2.11 1.88 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 33 L 8.26 5.20 0.00 1.80 1.78 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 34 F 9.92 5.48 0.00 3.10 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 35 E 9.36 5.39 0.00 2.07 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 0.00 2.20 2.26 0.00 36 H 8.92 4.33 0.00 3.04 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.64 4.17 0.00 1.83 1.97 0.00 2.80 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 38 E 8.57 4.14 0.00 2.20 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 1.89 0.00 39 G 8.75 3.84 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 0.00 0.00 0.00 40 P 0.00 4.27 0.00 2.05 2.03 0.00 3.71 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 2.04 2.10 0.00 41 G 8.93 3.76 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 0.00 0.00 0.00 42 Q 8.18 4.06 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 43 A 7.88 4.24 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 44 R 8.27 4.76 0.00 2.12 2.23 0.00 3.29 0.00 0.00 3.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 45 L 8.57 5.51 0.00 1.58 1.82 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.38 4.89 -0.31 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 47 F 7.66 5.17 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.65 4.73 0.00 2.11 2.09 0.00 3.30 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 49 V 8.35 3.91 2.23 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 0.92 0.00 0.00 0.71 0.00 0.00 50 E 9.00 4.96 0.00 1.61 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 0.00 2.66 2.32 0.00 51 E 8.85 3.89 0.00 2.11 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 2.38 1.88 0.00 52 H 7.95 4.59 0.00 3.25 3.35 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.26 4.59 0.00 3.44 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.40 4.88 4.36 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 1.33 0.00 0.00 55 N 9.00 4.69 0.00 2.84 2.99 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 56 G 8.13 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 57 L 8.46 4.67 0.00 1.76 1.63 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.66 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 0.00 0.00 0.00 59 N 7.78 5.46 0.00 2.71 2.71 0.00 0.00 6.73 7.66 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 60 C 8.76 4.64 0.00 3.02 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 61 H 9.44 4.27 0.00 3.35 3.19 0.00 5.64 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 62 G 8.76 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 0.00 0.00 0.00 63 G 7.64 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 *65 L 7.88 4.21 0.00 2.10 1.81 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *67 S 8.11 4.41 0.00 3.93 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 68 F 8.26 3.96 0.00 2.60 3.17 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 0.00 0.00 0.00 0.00 69 A 8.17 3.02 -0.02 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 0.00 0.00 70 D 7.31 4.27 0.00 2.91 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 *72 A 8.02 4.07 0.77 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 73 W 8.26 4.34 0.00 3.53 3.21 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 74 G 7.62 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 75 R 7.27 3.92 0.00 1.90 2.11 0.00 3.20 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 76 I 7.11 3.54 1.70 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 1.59 0.75 0.78 0.00 0.00 77 I 7.04 3.14 1.05 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.66 0.00 0.00 78 S 7.92 4.22 0.00 4.11 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 79 L 8.03 3.94 0.00 1.76 1.67 0.91 1.35 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 80 Q 8.05 3.94 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 81 K 7.55 3.97 0.00 1.13 0.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.00 1.07 7.81 82 S 7.81 3.78 0.00 4.00 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 83 Y 7.44 5.60 0.00 2.93 2.93 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 84 S 8.91 4.45 0.00 3.86 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 85 W 7.83 5.95 0.00 3.57 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 86 V 9.30 4.76 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 0.92 0.00 0.00 1.00 0.00 0.00 87 T 9.23 4.39 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 1.18 0.00 0.00 88 V 8.76 4.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.07 0.00 0.00 89 R 7.43 4.71 0.00 1.84 1.61 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 90 L 8.15 5.04 0.00 1.58 1.49 1.09 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 *92 C 8.45 4.54 0.00 3.04 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 93 D 8.97 5.14 0.00 2.84 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 94 F 9.28 4.90 0.00 2.84 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 95 L 9.08 4.69 0.00 1.78 1.78 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.99 4.57 0.00 4.01 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 97 G 8.47 4.33 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 0.00 98 A 8.47 5.20 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.38 5.02 0.00 1.93 1.91 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.21 7.81 100 L 8.75 3.98 0.00 1.71 1.66 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.08 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 0.00 0.00 0.00 102 D 7.94 4.45 0.00 2.60 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 0.00 103 W 8.71 4.74 0.00 3.16 2.82 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 0.00 104 V 7.44 4.13 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 0.49 0.00 0.00 0.28 0.00 0.00 105 E 8.55 4.68 0.00 1.16 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 1.51 1.55 0.00 106 G 8.52 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 0.00 107 E 9.71 5.20 0.00 2.52 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 2.33 2.32 0.00 108 G 8.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.16 4.76 0.00 2.03 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 2.18 2.09 0.00 110 L 8.55 4.33 0.00 1.68 1.66 1.25 1.28 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 0.00 111 I 8.78 4.26 1.95 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 1.37 0.91 0.89 0.00 0.00 112 S 7.68 4.69 0.00 3.81 3.89 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 0.00 0.00 0.00 113 E 8.44 4.89 0.00 1.43 1.53 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 1.47 1.47 0.00 114 E 8.68 4.40 0.00 1.99 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 2.14 2.20 0.00 115 D 8.75 4.13 0.00 2.78 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 *117 L 7.52 4.43 0.00 1.67 1.68 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.59 5.08 0.00 3.03 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 0.00 119 T 8.98 4.96 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 1.20 0.00 0.00 120 V 8.99 4.74 2.40 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 1.05 0.00 0.00 1.05 0.00 0.00 121 R 8.64 4.50 0.00 1.83 1.63 0.00 3.09 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 122 G 8.41 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 0.00 0.00 0.00 123 R 8.69 5.64 0.00 2.05 2.08 0.00 3.29 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 124 I 9.25 5.41 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.03 1.10 0.00 0.00 125 W 9.18 5.72 0.00 3.47 3.26 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 0.00 126 A 8.58 4.86 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 0.00 127 G 9.15 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 9.10 4.29 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 129 R 8.06 4.45 0.00 2.03 1.91 0.00 3.15 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 130 T 8.51 4.65 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 131 L 9.28 4.63 0.00 1.63 1.88 0.89 0.75 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 0.00 132 I 7.71 5.14 1.95 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.47 0.98 0.00 0.00 133 T 8.38 4.96 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 134 G 7.85 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 0.00 0.00 0.00 0.00 135 T 8.87 5.07 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 1.24 0.00 0.00 136 G 9.34 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 0.00 137 V 8.39 4.87 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 1.08 0.00 0.00 0.88 0.00 0.00 138 F 9.20 5.43 0.00 2.87 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 0.00 139 K 9.59 5.02 0.00 1.90 1.83 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.51 7.81 140 A 9.17 4.58 1.69 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 0.00 0.00 141 L 9.41 4.62 0.00 1.62 1.64 0.96 0.89 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 0.00 142 S 8.49 4.43 0.00 3.82 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 0.00 143 A 8.49 4.79 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 0.00 144 R 8.62 4.76 0.00 1.83 1.94 0.00 3.12 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 145 K 8.68 4.00 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 146 P 0.00 4.68 0.00 2.30 2.11 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 147 R 8.89 4.61 0.00 1.76 1.69 0.00 3.12 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 148 P 0.00 2.97 0.00 1.72 1.55 0.00 3.41 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 0.00 149 G 8.56 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 0.00 0.00 0.00 150 E 7.80 4.30 0.00 2.20 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 2.30 2.33 0.00 151 L 8.55 3.89 0.00 1.76 1.69 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.84 4.24 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 0.00 153 Y 7.92 4.25 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.