NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1044 8.2601 123.5820 52.2051 20.2591 177.4779 *2 A 4.2776 7.8691 121.4560 53.1292 20.3796 177.0276 3 T 4.9929 7.6883 105.1021 59.5673 71.6963 173.1675 4 N 4.8904 8.3520 120.1518 50.7061 39.8660 175.0329 5 L 3.8740 8.6404 119.2880 58.3984 41.7845 177.9295 6 I 4.0177 7.7786 108.1975 61.0090 38.0067 176.1824 7 G 3.9279 8.4663 109.8735 45.4465 0.0000 173.5162 8 L 4.5333 7.9210 119.8354 52.6764 43.6778 175.5117 9 D 4.7434 8.3596 119.3592 54.9036 42.3964 177.2501 10 T 3.8846 8.9621 124.5378 67.0158 68.5681 177.1793 11 T 3.8531 7.8795 117.0975 66.8949 68.5055 176.6476 12 Q 4.0401 8.6060 120.0193 58.9957 28.6311 178.9943 13 S 4.1192 8.2413 116.3136 61.7004 62.8217 176.7647 14 Q 4.0341 8.3891 121.0259 58.6261 28.5261 178.7103 15 K 3.9381 8.1023 120.7598 59.5111 32.2059 178.9512 16 L 3.9885 8.2279 119.2900 57.7333 41.5138 179.2810 17 A 4.0059 8.4151 121.1526 55.2206 18.2813 179.3933 18 N 4.2806 8.4091 114.7663 56.4939 38.6644 177.5187 19 A 4.0418 7.9363 121.7607 55.2005 18.4293 179.7271 20 L 4.0325 8.3532 117.9008 57.9185 41.4352 179.4936 21 N 4.4454 8.6900 117.0331 56.4788 38.6168 177.2466 22 N 4.4324 8.3427 117.9503 55.9524 38.4856 177.2879 23 L 4.1325 8.1459 121.9590 58.1200 42.2813 178.5648 24 L 3.9392 8.4245 120.5059 58.2266 41.9300 178.7357 25 A 3.9170 8.2008 120.4265 55.3174 18.2779 179.3226 26 N 4.2190 8.0703 114.4613 56.7918 38.6323 177.0971 27 Y 3.9673 8.3863 118.3563 61.2712 37.7082 179.0953 28 Q 3.8750 7.7293 117.8088 58.8980 28.8641 178.4930 29 V 3.6731 7.4506 118.0251 65.8648 31.7837 177.4665 30 F 4.4327 8.4282 120.6754 61.3027 39.0486 177.1687 31 Y 4.0050 8.2059 116.4344 58.3468 38.3690 177.3164 *33 N 4.1627 8.1157 117.3203 52.9224 40.7965 177.0225 34 T 2.9208 6.9624 114.6978 66.0228 68.1963 176.8639 35 R 2.9101 7.1337 120.4651 58.7992 29.8961 179.1514 36 G 3.5307 7.1649 104.6218 48.0488 0.0000 175.0221 37 Y 4.1036 7.2658 119.2506 60.8524 37.4656 178.2675 38 H 4.4676 7.7500 117.9717 59.3067 30.1359 177.0639 39 W 4.6397 7.9382 119.4875 59.3285 29.1061 177.3563 40 N 4.8640 8.3539 114.0855 52.0461 38.7878 174.9029 41 I 4.0389 7.1887 121.7418 61.4260 38.6014 174.7491 42 Q 4.5897 8.6003 125.0254 54.8117 32.8889 175.1795 43 G 3.9238 8.5101 105.6405 44.6305 0.0000 174.2081 44 K 4.1519 8.2959 116.4864 58.5077 32.0730 177.9990 45 E 4.3425 8.1937 117.6839 56.6417 29.9472 177.7417 46 F 3.9530 8.4078 122.6101 61.8302 39.2181 177.2345 47 F 4.1438 7.8968 116.3148 60.3021 38.8403 177.2244 48 E 3.8604 8.1909 118.4518 59.4940 29.6139 178.7720 49 L 3.3273 8.1390 119.2006 57.1938 41.6877 178.7284 50 H 3.9847 8.0670 118.5620 59.1742 29.6763 177.1601 51 A 3.8583 7.7680 122.2922 54.9869 18.2759 179.4717 52 K 3.6673 7.8029 118.1772 59.7109 32.1306 179.0221 53 F 4.4335 8.0882 118.3568 60.3936 38.6529 177.2670 54 E 2.5400 7.7802 118.5427 58.6046 29.4926 178.2885 55 E 3.7284 7.8828 119.2566 59.3937 29.5419 179.0093 56 I 3.7357 7.6528 119.7346 64.6213 37.2874 178.1474 57 Y 4.1646 7.9148 118.7669 60.1011 37.5902 178.1011 58 T 4.0333 7.7752 118.0858 66.7986 68.6294 176.2163 59 D 4.3890 8.0405 120.3210 57.3604 40.7740 178.7837 60 L 4.2331 8.3698 119.7201 57.9802 41.7324 179.6074 61 Q 3.7800 8.3606 118.0447 58.8707 28.6248 178.8411 62 L 4.2762 7.5987 121.3568 57.2190 41.5471 179.7429 63 K 3.9170 7.7885 118.0371 59.0960 31.9043 179.3782 64 I 3.4351 7.8272 120.5275 64.4229 36.9254 177.7445 65 D 4.3705 7.7847 119.1307 57.8922 40.6631 179.1967 66 E 4.1148 8.2368 118.5613 59.2006 29.3992 179.5263 67 L 3.9485 8.3067 119.3126 57.6967 41.7080 179.3277 68 A 4.0066 8.0251 120.6403 55.3690 18.2881 179.6088 69 E 3.9358 8.2784 117.0624 59.3874 29.5619 179.5770 70 R 3.8626 8.2872 119.2966 59.3079 30.1260 178.6226 71 I 3.7006 7.9340 119.6935 64.4010 37.1380 178.2781 72 L 4.2322 7.9165 121.0482 57.7113 41.2498 179.8203 73 T 3.9412 7.9332 114.4560 66.2230 68.3500 175.6391 74 L 4.3685 7.4719 118.3756 53.8994 41.8647 176.6823 75 S 3.7352 8.1190 113.4670 59.8964 60.8849 171.2815 76 A 4.7224 7.8516 121.0623 50.1696 21.9169 175.7984 77 R 4.4926 8.2710 119.7349 54.3013 31.7526 173.9685 78 P 5.4863 0.0000 0.0000 62.0790 30.2893 177.2405 *80 H 4.7295 8.8962 106.6756 54.6486 29.5781 173.4427 81 S 4.3688 6.6779 112.8637 56.6896 67.1940 173.2591 82 F 4.6026 8.5179 123.2016 61.1437 38.7468 178.1520 83 S 4.2668 8.1743 113.4144 61.3419 62.8606 176.6514 84 G 3.4728 7.8858 109.2114 47.7376 0.0000 175.3051 85 Y 4.4584 7.8619 119.6790 60.9176 37.6844 178.7758 86 L 4.0700 8.1919 119.0502 57.5916 41.7350 179.1983 87 K 4.0925 7.9015 118.4636 59.0083 32.2280 178.1101 88 A 4.3411 7.8177 118.8270 52.4976 19.5990 177.6086 89 A 4.1659 7.6100 120.4107 52.2275 19.1900 177.3746 90 Q 4.1441 8.5993 122.6993 58.4064 29.6986 176.9443 91 I 3.7270 7.5270 118.1400 61.3193 37.5574 175.7379 92 K 4.4129 8.2810 124.3430 54.9188 33.3305 176.5468 93 E 4.0597 8.5715 121.0972 56.9931 29.8142 176.4249 94 H 4.8096 9.5188 123.2188 54.6928 31.3694 172.5166 95 T 4.5912 8.2940 116.2789 60.5662 71.2313 173.0120 96 D 4.2930 8.4576 118.6123 55.5378 38.1309 174.4725 97 S 4.4987 8.1670 114.4327 57.2813 62.3638 173.0745 98 I 4.7069 8.2209 119.7530 59.5070 38.7333 174.1842 99 D 5.1903 7.7898 121.6807 52.1941 43.2009 176.3328 100 G 3.9875 9.2336 115.4822 48.1394 0.0000 174.5446 101 R 4.2659 8.3016 119.1364 59.0374 30.6984 177.3712 102 S 4.2410 8.6143 112.5708 61.7349 62.5587 176.9175 103 S 3.1179 7.7383 113.2631 58.8526 61.8671 175.8488 *105 Q 4.2897 8.2139 124.4182 56.1023 30.7438 177.3843 106 G 3.8295 8.0059 105.9745 47.1848 0.0000 175.5849 107 L 4.3879 8.1065 121.5282 57.6663 41.7204 179.7457 108 V 3.7774 7.9484 117.6054 66.2530 31.3526 177.6291 109 D 4.4593 8.4934 118.8594 57.2528 40.6368 179.1004 110 G 2.7338 8.1963 106.2528 47.6022 0.0000 175.8465 111 F 4.0866 8.0394 120.8506 60.1701 38.9342 177.9177 112 S 4.2125 8.2748 114.9391 61.5846 62.6178 176.8477 113 I 3.6495 7.3528 122.4008 64.3229 36.8254 178.3923 114 L 3.9280 7.7392 119.7917 57.7815 41.4401 179.6288 115 L 4.0543 8.3799 119.2183 58.0941 41.7295 179.0282 116 H 4.0974 8.1547 117.9155 59.3866 29.7970 177.0649 117 Q 4.0155 8.2504 121.2980 59.3696 28.8670 178.2644 118 Q 4.1215 8.6550 119.5635 58.8985 28.7188 178.8739 119 R 4.0028 8.1749 119.3293 59.2230 30.1709 178.7942 120 D 4.3292 7.9745 118.4015 57.3675 40.8032 178.9223 121 I 3.7113 7.7799 120.3637 64.1843 37.0582 178.0209 122 L 3.9233 8.3165 121.6701 58.2651 41.8413 178.7596 123 E 3.8871 8.1280 119.0135 59.1058 29.4801 178.4938 124 L 4.2455 8.0910 121.2382 57.6682 42.1503 178.7420 125 A 4.0934 8.5100 121.2735 55.2033 17.7998 179.8997 126 G 3.5345 8.3642 104.6300 47.6299 0.0000 175.2894 127 E 4.2492 8.3477 118.8569 57.6182 29.8050 177.7886 128 T 4.5164 7.6999 109.5305 61.2169 69.6794 175.1225 129 G 3.8750 7.6164 109.3754 46.2239 0.0000 174.9438 130 D 4.5923 7.9981 121.4010 52.7020 38.8176 176.0530 131 E 4.0437 8.2397 124.7516 58.6464 30.0563 177.9866 132 G 3.5947 8.0176 105.4412 47.9416 0.0000 175.7822 133 T 3.8358 7.9950 117.2400 66.3305 68.5898 176.3871 134 S 4.1847 7.8836 113.6556 61.5243 62.6790 175.8257 135 A 4.1519 8.2966 123.6367 54.8853 18.0370 179.7832 136 L 3.5619 7.3804 115.0229 55.8410 41.7929 178.5879 *138 S 4.3450 7.9765 112.9787 58.0088 64.3799 175.3843 139 D 4.4582 8.0938 119.9168 57.7722 40.4915 178.6042 140 Y 4.3811 8.1453 117.1074 61.1651 37.8054 178.5605 141 I 3.8264 7.9083 120.5215 64.4519 36.9185 178.5679 142 R 3.9628 8.2406 117.0113 59.3548 29.3016 178.7882 143 E 4.0173 8.2575 119.0614 59.2868 29.4218 179.1891 144 Q 3.8623 8.3783 117.9300 58.2744 28.8193 178.3003 145 E 3.9757 8.4918 120.3569 59.2788 29.2979 179.1794 146 K 4.1637 7.5503 117.7837 59.5096 32.3618 178.2393 147 L 3.9617 7.5504 119.2901 58.1366 42.2675 178.7531 148 V 3.7544 7.9725 118.5242 65.5240 31.3105 177.7389 149 W 4.3680 8.0713 124.3602 58.7854 30.3707 177.0788 *151 L 4.1852 7.7796 118.5328 54.7425 43.0277 178.8721 152 N 4.3991 8.2590 114.4117 56.1868 38.5812 176.9604 153 A 4.1518 8.1343 122.4129 55.0025 18.2423 179.4896 154 W 4.0046 8.0823 125.1821 60.3873 30.9225 177.3328 155 L 4.4037 7.6705 116.7229 55.7566 41.3864 177.0780 156 K 4.1690 7.6850 123.3619 56.6176 31.9992 176.6790 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 A 8.26 4.10 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 *2 A 7.87 4.28 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.69 4.99 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 4 N 8.35 4.89 0.00 2.95 3.00 0.00 0.00 6.94 6.19 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 5 L 8.64 3.87 0.00 1.60 1.76 0.92 0.97 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 6 I 7.78 4.02 1.86 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 1.43 0.77 0.95 0.00 0.00 7 G 8.47 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 0.00 0.00 0.00 8 L 7.92 4.53 0.00 1.73 1.58 0.91 0.98 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 9 D 8.36 4.74 0.00 2.78 2.54 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 0.00 0.00 0.00 0.00 10 T 8.96 3.88 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 11 T 7.88 3.85 4.40 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 1.21 0.00 0.00 12 Q 8.61 4.04 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 13 S 8.24 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 14 Q 8.39 4.03 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 15 K 8.10 3.94 0.00 1.93 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 L 8.23 3.99 0.00 1.93 1.70 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.42 4.01 1.36 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 0.00 0.00 18 N 8.41 4.28 0.00 2.94 2.90 0.00 0.00 6.91 7.06 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 19 A 7.94 4.04 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 20 L 8.35 4.03 0.00 1.85 1.75 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.69 4.45 0.00 2.99 2.93 0.00 0.00 6.99 6.55 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 22 N 8.34 4.43 0.00 2.93 2.91 0.00 0.00 6.66 6.75 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 23 L 8.15 4.13 0.00 1.96 1.98 1.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.42 3.94 0.00 1.90 1.96 0.84 1.08 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 25 A 8.20 3.92 1.61 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 26 N 8.07 4.22 0.00 2.99 2.74 0.00 0.00 7.08 6.82 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 27 Y 8.39 3.97 0.00 3.14 2.98 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 28 Q 7.73 3.87 0.00 1.54 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.06 1.16 0.00 29 V 7.45 3.67 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 0.84 0.00 0.00 0.95 0.00 0.00 30 F 8.43 4.43 0.00 2.91 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 31 Y 8.21 4.01 0.00 3.05 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 *33 N 8.12 4.16 0.00 2.52 2.19 0.00 0.00 7.03 7.05 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 34 T 6.96 2.92 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 1.01 0.00 0.00 35 R 7.13 2.91 0.00 0.72 0.66 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 36 G 7.16 3.53 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 37 Y 7.27 4.10 0.00 2.09 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.75 4.47 0.00 3.18 3.29 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.94 4.64 0.00 3.44 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 40 N 8.35 4.86 0.00 3.05 2.91 0.00 0.00 6.63 6.61 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 41 I 7.19 4.04 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.96 0.00 0.00 42 Q 8.60 4.59 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.17 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 43 G 8.51 3.92 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 0.00 0.00 0.00 44 K 8.30 4.15 0.00 1.80 1.94 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 45 E 8.19 4.34 0.00 2.12 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 0.00 2.61 2.41 0.00 46 F 8.41 3.95 0.00 3.10 2.67 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 47 F 7.90 4.14 0.00 3.20 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 48 E 8.19 3.86 0.00 2.08 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 2.27 2.38 0.00 49 L 8.14 3.33 0.00 1.45 0.58 0.71 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.07 3.98 0.00 2.48 2.92 0.00 5.78 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 51 A 7.77 3.86 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 52 K 7.80 3.67 0.00 1.66 1.24 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.05 1.22 7.81 53 F 8.09 4.43 0.00 3.03 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 0.00 54 E 7.78 2.54 0.00 1.67 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 1.93 1.65 0.00 55 E 7.88 3.73 0.00 1.94 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 2.23 2.29 0.00 56 I 7.65 3.74 2.03 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 1.62 0.54 1.04 0.00 0.00 57 Y 7.91 4.16 0.00 2.75 2.86 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 58 T 7.78 4.03 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 D 8.04 4.39 0.00 2.91 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 60 L 8.37 4.23 0.00 2.09 1.96 0.65 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.36 3.78 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.89 2.59 0.00 62 L 7.60 4.28 0.00 1.83 1.71 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.79 3.92 0.00 1.73 1.05 0.00 1.58 0.00 0.00 0.86 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.65 1.24 7.81 64 I 7.83 3.44 1.88 0.00 0.00 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 1.41 0.93 0.79 0.00 0.00 65 D 7.78 4.37 0.00 2.94 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 66 E 8.24 4.11 0.00 2.29 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 2.37 2.50 0.00 67 L 8.31 3.95 0.00 1.84 1.67 0.58 0.75 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 8.03 4.01 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 E 8.28 3.94 0.00 2.11 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 0.00 2.32 2.50 0.00 70 R 8.29 3.86 0.00 1.96 2.03 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 71 I 7.93 3.70 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.95 0.00 0.00 72 L 7.92 4.23 0.00 1.86 1.71 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.93 3.94 4.40 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 1.20 0.00 0.00 74 L 7.47 4.37 0.00 1.81 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.12 3.74 0.00 4.03 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 76 A 7.85 4.72 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 77 R 8.27 4.49 0.00 1.79 1.87 0.00 3.26 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 78 P 0.00 5.49 0.00 2.28 1.43 0.00 3.45 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 *80 H 8.90 4.73 0.00 3.29 3.48 0.00 5.10 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 6.68 4.37 0.00 3.81 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 82 F 8.52 4.60 0.00 3.04 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 83 S 8.17 4.27 0.00 4.05 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 84 G 7.89 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 85 Y 7.86 4.46 0.00 3.22 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 86 L 8.19 4.07 0.00 1.66 1.77 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.90 4.09 0.00 1.77 2.01 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 88 A 7.82 4.34 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 0.00 0.00 0.00 0.00 0.00 89 A 7.61 4.17 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 90 Q 8.60 4.14 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 91 I 7.53 3.73 1.79 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.88 0.00 0.00 92 K 8.28 4.41 0.00 1.72 1.72 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.55 7.81 93 E 8.57 4.06 0.00 1.94 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 2.27 2.29 0.00 94 H 9.52 4.81 0.00 3.01 3.17 0.00 5.72 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 95 T 8.29 4.59 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 96 D 8.46 4.29 0.00 2.88 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 97 S 8.17 4.50 0.00 3.61 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 98 I 8.22 4.71 1.98 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 1.31 1.50 0.99 0.00 0.00 99 D 7.79 5.19 0.00 2.78 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 0.00 100 G 9.23 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 0.00 101 R 8.30 4.27 0.00 1.98 2.25 0.00 3.31 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 102 S 8.61 4.24 0.00 3.91 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 0.00 103 S 7.74 3.12 0.00 3.71 2.63 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 *105 Q 8.21 4.29 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 106 G 8.01 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 0.00 107 L 8.11 4.39 0.00 1.89 2.10 1.15 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.95 3.78 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 1.19 0.00 0.00 1.02 0.00 0.00 109 D 8.49 4.46 0.00 2.88 2.68 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 0.00 110 G 8.20 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 0.00 0.00 0.00 111 F 8.04 4.09 0.00 3.20 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 0.00 112 S 8.27 4.21 0.00 4.02 3.92 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 0.00 113 I 7.35 3.65 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.81 0.00 0.00 114 L 7.74 3.93 0.00 1.77 1.65 0.12 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.38 4.05 0.00 1.86 1.77 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.15 4.10 0.00 3.33 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.25 4.02 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 118 Q 8.65 4.12 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 119 R 8.17 4.00 0.00 1.98 1.95 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 120 D 7.97 4.33 0.00 2.87 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 0.00 121 I 7.78 3.71 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.91 0.00 0.00 122 L 8.32 3.92 0.00 1.80 1.90 0.93 0.81 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 0.00 123 E 8.13 3.89 0.00 2.09 2.05 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 2.30 2.31 0.00 124 L 8.09 4.25 0.00 1.83 1.81 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.51 4.09 1.42 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 0.00 126 G 8.36 3.53 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 0.00 127 E 8.35 4.25 0.00 2.23 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 2.57 2.31 0.00 128 T 7.70 4.52 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 0.00 129 G 7.62 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 0.00 130 D 8.00 4.59 0.00 2.71 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 0.00 131 E 8.24 4.04 0.00 2.10 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 2.36 2.42 0.00 132 G 8.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.99 3.84 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 1.17 0.00 0.00 134 S 7.88 4.18 0.00 3.93 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 0.00 135 A 8.30 4.15 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.38 3.56 0.00 1.68 1.54 0.71 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 *138 S 7.98 4.35 0.00 3.97 4.05 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 0.00 139 D 8.09 4.46 0.00 2.97 2.86 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 0.00 140 Y 8.15 4.38 0.00 3.07 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 0.00 141 I 7.91 3.83 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.82 0.96 0.00 0.00 142 R 8.24 3.96 0.00 2.07 2.22 0.00 2.80 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 143 E 8.26 4.02 0.00 2.14 2.05 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 2.37 2.54 0.00 144 Q 8.38 3.86 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 145 E 8.49 3.98 0.00 2.03 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 0.00 2.37 2.54 0.00 146 K 7.55 4.16 0.00 1.86 2.10 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.71 1.78 7.81 147 L 7.55 3.96 0.00 1.49 1.42 0.79 0.66 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 0.00 148 V 7.97 3.75 2.28 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 1.04 0.00 0.00 1.00 0.00 0.00 149 W 8.07 4.37 0.00 3.54 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 *151 L 7.78 4.19 0.00 1.78 1.76 1.06 0.62 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 0.00 152 N 8.26 4.40 0.00 2.99 2.95 0.00 0.00 7.06 6.96 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 0.00 153 A 8.13 4.15 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 0.00 154 W 8.08 4.00 0.00 3.15 3.35 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 0.00 155 L 7.67 4.40 0.00 1.91 1.81 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.69 4.17 0.00 1.82 1.72 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.