NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1422 8.1849 120.6271 54.5256 42.5885 175.3637 *5 D 4.8482 8.4641 122.1509 55.3006 42.2686 175.6860 6 V 4.6061 8.4918 121.2379 60.2953 35.2739 173.8274 7 H 5.0519 8.7167 120.5089 54.1861 30.9249 173.8438 8 V 4.6892 8.6384 123.8223 60.5966 33.7209 174.7791 9 L 4.5872 8.8657 129.2845 55.2879 42.1580 176.7037 10 F 4.8517 9.2377 126.2170 56.8525 41.2711 174.2975 11 S 4.1596 8.2765 120.4127 58.3240 63.8934 176.0212 12 G 3.4091 6.5302 108.2475 44.8716 0.0000 174.4030 13 G 3.6618 7.4813 106.5826 43.9183 0.0000 174.4377 14 K 3.6171 8.4202 120.5278 60.0537 32.2948 178.9915 15 D 4.2970 7.9342 119.3480 57.1910 40.7871 178.4380 16 S 4.0526 7.9140 113.0434 61.4432 62.2828 176.0691 17 S 4.4008 8.1242 117.8588 61.7780 62.5902 176.5784 18 L 3.9987 8.2012 121.8985 57.9614 41.4982 179.8172 19 S 4.0295 8.1151 113.8597 61.1840 62.7387 176.5037 20 A 3.6783 7.7864 124.0616 54.9410 18.0886 179.5251 21 V 3.5557 7.8526 116.8053 66.4162 31.4141 178.3333 22 I 3.6176 7.6550 119.2329 64.2422 36.9278 178.3909 23 L 4.0368 7.6783 119.5105 57.5861 41.3626 179.2578 24 K 4.0308 8.1761 119.7120 59.8186 31.9448 178.5584 25 K 3.8798 8.0215 117.3587 59.7229 32.1383 178.3349 26 L 4.3784 7.6467 115.9115 55.0439 41.7776 177.6100 27 G 3.8736 8.2633 108.1881 45.2375 0.0000 173.1294 28 Y 4.5211 7.5284 116.5972 56.6309 40.2149 175.1480 29 N 4.7718 8.6541 120.1839 51.5063 40.2787 172.0353 30 P 4.6995 0.0000 0.0000 62.2150 32.2479 175.6945 31 H 4.4953 8.9075 124.3783 54.4281 29.8447 175.0621 32 L 4.4596 8.7835 125.3815 54.5226 42.8510 176.4092 33 I 5.0374 9.1786 123.9427 59.8117 40.8038 174.6029 34 T 5.0274 8.9113 122.7067 61.8706 72.0454 172.9936 35 I 4.7459 8.4100 125.4910 59.8934 39.3330 174.6104 36 N 4.9813 8.7573 123.9043 51.7541 42.1435 174.4500 37 F 5.0381 9.2430 123.6475 56.2320 39.1458 176.0608 38 G 3.9976 7.9792 107.8566 46.8363 0.0000 176.0778 39 V 3.9613 8.7980 120.6199 64.2518 31.9383 176.0247 40 I 4.6129 7.4053 109.9434 58.6429 40.4919 173.3882 41 P 4.4169 0.0000 0.0000 62.4269 29.2977 177.1218 42 S 4.1644 7.5395 111.7037 59.7294 64.2069 175.3664 43 Y 4.3484 6.9756 119.4502 58.6134 38.7749 177.3715 44 K 3.8369 6.9902 121.3110 59.7478 32.0367 178.0619 45 L 3.8717 7.9789 119.3399 58.5861 41.8094 178.9740 46 A 3.9669 8.0287 120.1850 54.7598 17.9998 179.1831 47 E 3.8687 8.2129 117.5815 59.5930 30.1167 178.6102 48 E 4.1280 8.3289 118.4439 59.8039 29.4941 179.3092 49 T 3.8757 8.1988 115.7048 66.8315 68.5067 176.0841 50 A 3.8821 8.3730 122.5483 55.2477 18.2714 179.9672 51 K 3.8455 8.0880 116.5568 59.7714 32.0378 179.3667 52 I 3.6909 7.8172 118.0911 64.8540 37.0980 178.0406 53 L 4.1341 8.1152 118.4851 55.4712 41.4268 177.8267 54 G 3.5930 8.0987 106.5129 46.2451 0.0000 173.0264 55 F 5.1197 7.7830 117.1318 54.8223 41.9528 175.9764 56 K 4.2627 8.5884 120.3360 56.8980 33.2782 175.5496 57 H 5.3581 8.6762 122.8404 54.3891 32.8528 172.3074 58 K 4.6475 9.2268 125.0821 54.4073 35.2806 175.3262 59 V 4.4885 8.1466 123.9989 60.3646 32.8558 175.0130 60 I 4.3614 8.5222 127.2490 59.7807 39.1890 174.7549 61 T 4.8686 8.3953 123.7419 62.2264 69.8712 174.0665 62 L 4.8430 8.5410 125.6027 52.3111 46.0874 175.2797 63 D 4.5199 8.5623 119.6101 53.9648 41.9358 176.6831 64 R 4.0915 8.9834 126.1379 59.7537 29.8012 178.2998 65 K 3.8126 8.7879 118.5983 59.6718 32.0806 178.6316 66 I 3.7286 7.4534 119.4676 65.0039 37.1153 178.7225 67 V 3.5100 7.1784 111.5033 63.5782 31.3890 178.4527 68 E 3.9451 7.9460 119.1001 59.1131 29.0565 179.0660 69 K 3.9452 8.4118 118.7778 59.2517 32.2988 178.3259 70 A 4.0491 7.8523 119.7521 55.1127 18.6537 178.9413 71 A 4.0975 8.2756 119.5579 55.5331 18.4183 179.6098 72 D 4.0161 8.0806 115.0378 55.8444 41.3924 178.7196 *74 I 3.8183 7.6104 121.1884 61.4671 38.8354 178.2607 75 I 3.6375 7.3897 119.0393 63.8440 36.5581 176.7786 76 E 4.1147 7.4619 121.4154 58.4726 30.1042 177.0946 77 H 4.1010 7.9348 115.9506 56.7832 29.1382 177.9671 78 K 4.2868 8.1148 116.6493 56.9527 31.3348 175.0191 79 Y 5.0897 7.6861 115.1077 53.7159 41.2901 174.3185 80 P 4.3286 0.0000 0.0000 65.1767 31.3734 179.0661 81 G 3.9881 7.9898 104.3913 47.8103 0.0000 173.8745 82 P 4.1554 0.0000 0.0000 64.4351 31.3151 178.7889 83 A 3.9578 7.6381 119.3083 55.1588 18.3478 179.4978 84 I 3.7661 7.7923 118.2812 64.6796 37.2263 178.3737 85 Q 4.0616 8.2097 118.9046 59.3582 28.6564 178.5639 86 Y 4.0539 8.1624 120.1912 60.8965 38.8125 178.4438 87 V 2.9778 8.2020 119.2829 66.0239 31.5514 177.5085 88 H 4.2128 8.4596 118.1411 59.1585 29.7941 177.3657 89 K 3.8743 8.3850 120.7013 59.7185 31.9699 179.2676 90 T 3.6889 7.3960 115.8053 66.8008 68.3119 176.3250 91 V 3.4958 7.5854 119.7662 65.8892 31.4814 177.5750 92 L 3.8976 7.9028 118.3076 58.1661 41.3925 179.3055 93 E 3.8681 7.8458 116.6854 59.9733 29.6625 179.6494 94 I 3.8322 7.5513 118.7725 64.3212 37.1435 178.5410 95 L 4.0979 8.1367 119.6127 57.2890 41.3053 178.9878 96 A 4.3157 8.2882 120.0952 54.4926 18.2849 178.8701 97 D 4.3721 7.5956 117.0861 56.4679 40.9846 177.0512 98 E 4.1636 7.6381 116.5305 56.2957 30.9990 175.5617 99 Y 4.9080 7.5177 115.4970 56.1474 41.3222 175.3110 100 S 4.6943 8.7564 116.6513 58.4961 65.6698 173.2141 101 I 4.9674 7.8517 121.2179 59.6857 40.0402 173.7736 102 L 5.2575 9.1515 129.7833 53.3179 44.8965 175.0068 103 A 5.4924 8.8947 125.1371 50.5502 23.1116 175.1204 104 D 4.4107 8.1903 117.5513 52.3420 42.2338 176.2179 105 G 4.0794 8.6652 111.3509 45.6953 0.0000 173.1992 106 T 3.9458 8.3003 110.2119 61.8460 68.9925 173.5385 107 R 4.9105 8.1965 121.6097 53.9238 34.0957 176.2170 108 R 3.9643 8.8515 118.9292 60.0415 29.7910 176.9169 109 D 4.7616 8.1186 113.7001 54.1701 41.0329 175.5575 110 D 4.9201 7.4893 119.1108 52.3981 42.1860 176.7097 111 R 4.0911 8.7332 125.1022 58.4618 30.5302 176.6887 112 V 4.5200 7.3982 115.4203 60.1269 34.5779 172.9408 113 P 4.7735 0.0000 0.0000 62.0095 32.4151 175.3661 114 K 4.3212 8.6230 117.5484 56.1021 35.8490 174.0847 115 L 4.5659 8.7840 126.9100 53.7592 42.7682 177.5071 116 S 4.4410 9.4028 118.8862 58.1237 64.9202 174.9138 117 Y 4.3963 8.6871 123.2825 61.2507 38.5469 178.5591 118 S 4.0181 8.2126 114.4616 61.5842 62.8832 176.0863 119 E 3.9480 8.3094 122.0933 59.0598 29.1696 179.4446 120 I 3.6045 7.9239 119.9238 64.5636 37.0450 178.3285 121 Q 3.9066 7.9160 117.7827 59.0096 28.5409 179.0089 122 S 4.1409 7.7877 112.8757 61.3556 62.8301 175.2778 123 L 4.0081 7.9597 123.1156 58.5258 41.6797 179.2285 124 E 4.1267 8.3341 115.9951 57.0377 29.3998 179.0423 *126 R 4.2669 7.8747 119.8405 55.5635 31.9163 176.4586 127 K 4.3256 7.8517 113.3342 55.0462 33.7123 175.3125 128 N 4.2374 8.1632 117.1663 54.1246 37.2872 172.4666 129 I 4.9229 6.9158 112.6050 59.2725 42.5312 175.3205 130 Q 4.5291 8.8972 122.6278 55.2630 30.1791 174.0923 131 Y 5.2062 9.2612 126.4035 55.9111 40.5102 174.5072 132 I 4.3688 8.6202 127.5285 59.3069 41.3421 174.3220 133 T 4.8133 8.0099 118.3830 58.6875 68.3207 172.2994 134 P 4.2373 0.0000 0.0000 66.0506 32.3072 177.4787 135 L 4.3109 7.3547 119.8647 53.4187 39.8375 177.1965 *137 G 3.8444 7.8602 106.6979 44.6025 0.0000 170.0188 138 F 4.6399 8.4872 118.5872 54.5654 41.0824 176.2975 139 G 3.9461 8.5994 112.4643 44.4841 0.0000 172.7454 140 Y 4.1725 9.6732 121.7780 60.7989 38.4780 178.6926 141 K 3.9754 8.2130 119.8857 59.7364 32.4037 178.5460 142 T 4.0174 7.9367 112.9251 64.7001 67.3945 176.1256 143 L 3.9638 8.1462 121.2137 58.0573 41.2933 179.4937 144 R 3.7592 7.9723 118.3101 59.4796 29.8203 178.0357 145 H 4.2765 7.8848 117.9868 59.0129 29.9390 177.1818 146 L 3.9406 8.4134 121.0305 57.7999 41.4842 179.3694 147 A 4.1259 8.2606 121.0121 55.1892 18.1182 179.7252 148 S 4.2356 7.6053 110.4579 61.0141 63.3058 176.0155 149 E 3.8583 7.7531 122.7902 58.7044 29.5694 177.8934 150 F 4.1929 8.1942 117.1655 57.3281 39.5171 175.4617 151 F 5.7419 7.3691 115.4120 55.5130 42.5836 175.1584 152 I 4.2078 9.2924 123.8032 61.0127 38.2399 174.9281 153 L 5.2413 8.5947 126.2443 52.8087 44.7988 175.4017 154 E 4.6274 8.9899 123.8040 54.4059 32.2237 174.6753 155 E 4.8373 8.8833 126.8019 56.3054 30.7844 176.4180 156 I 4.6026 8.0872 115.6512 59.3397 40.7010 175.1858 157 K 4.5382 8.4646 121.0017 57.1579 33.4108 176.1395 *163 S 4.2877 7.8623 114.0953 59.7838 63.5628 174.3015 164 S 4.7704 7.6817 120.0470 58.7106 63.1096 174.2927 165 D 4.3893 7.2356 121.2263 52.7279 40.9842 176.0441 166 Y 4.6044 7.6501 114.9892 60.5391 37.7542 177.3978 167 E 3.5071 8.0184 121.0155 59.0327 29.7432 178.5806 168 A 3.8992 7.8039 120.1323 55.3466 18.6351 179.3781 169 E 4.0382 8.1628 116.5884 59.4707 29.6595 179.4539 170 I 3.7420 7.6836 119.5711 64.2061 37.0258 178.6419 171 R 3.9805 7.9900 118.9764 59.5419 29.8998 178.2364 172 H 4.0374 8.0330 117.5797 59.5508 29.5438 176.8706 173 I 3.7150 7.4439 119.5964 64.6580 37.3170 177.8998 174 L 4.1586 8.0517 119.4902 57.8878 41.5934 179.6628 175 K 4.1786 8.3415 119.7356 59.4989 31.9387 178.6547 176 E 4.1127 8.4492 118.0173 58.3717 29.8385 178.3118 177 R 4.4006 7.9850 117.2462 55.4702 30.3064 177.8674 178 G 4.0177 7.8006 106.8233 45.4767 0.0000 174.0800 179 E 4.2513 7.5429 117.9519 55.9810 30.2433 176.2133 180 S 4.7696 8.3750 115.3167 56.0737 64.7079 173.0992 181 P 4.6345 0.0000 0.0000 66.0579 31.5208 178.3965 182 E 4.0628 8.4102 116.0359 59.5545 29.5831 178.3077 183 K 3.6885 7.1907 116.9066 59.1327 32.0484 176.5895 184 Y 4.4285 7.5012 113.1020 58.1477 39.7298 175.7910 185 F 4.9933 8.4145 119.0162 54.6404 38.8962 173.0808 186 P 4.4887 0.0000 0.0000 61.9807 32.3343 177.0942 187 E 4.2472 8.6950 119.9401 56.3026 29.3526 176.0782 188 H 4.8387 8.3024 120.0101 54.0016 30.3097 173.5830 189 K 4.3046 7.9724 123.5328 54.0660 31.2221 175.1306 190 Q 4.7265 8.5651 122.6787 54.7180 31.5001 174.5122 191 T 5.0250 8.3239 116.8553 61.8646 71.6737 173.1393 192 R 4.5127 9.1183 126.9630 54.5181 32.3487 175.3300 193 V 4.1686 8.1847 126.3536 62.9277 31.9465 175.7977 194 V 4.4658 8.5934 124.3397 60.4501 33.1810 175.4343 195 G 4.0919 7.5669 110.1288 45.4594 0.0000 172.4876 196 L 4.8398 8.4760 120.5464 54.1550 41.9571 176.2372 197 K 4.1815 8.3236 121.6300 58.0735 32.9054 177.4748 198 K 4.1795 7.5022 121.8375 56.1983 33.2914 177.6483 199 E 4.4346 8.3273 119.2477 55.6803 31.7110 176.8676 200 I 4.2231 8.0498 118.8126 61.9595 38.0539 175.3894 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 3 L 8.18 4.14 0.00 1.65 1.59 0.92 0.71 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 *5 D 8.46 4.85 0.00 2.66 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 6 V 8.49 4.61 1.75 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 0.68 0.00 0.00 0.74 0.00 0.00 7 H 8.72 5.05 0.00 2.78 2.77 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.64 4.69 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 0.81 0.00 0.00 0.73 0.00 0.00 9 L 8.87 4.59 0.00 1.64 1.70 1.05 0.73 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 10 F 9.24 4.85 0.00 2.99 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 11 S 8.28 4.16 0.00 3.85 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 12 G 6.53 3.41 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 0.00 13 G 7.48 3.66 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 0.00 0.00 0.00 14 K 8.42 3.62 0.00 2.08 2.03 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 D 7.93 4.30 0.00 2.68 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 16 S 7.91 4.05 0.00 3.68 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 17 S 8.12 4.40 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.20 4.00 0.00 1.92 1.64 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.12 4.03 0.00 3.99 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 20 A 7.79 3.68 1.08 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 0.00 0.00 21 V 7.85 3.56 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 0.55 0.00 0.00 1.12 0.00 0.00 22 I 7.65 3.62 1.91 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.88 0.00 0.00 23 L 7.68 4.04 0.00 1.72 1.62 0.70 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.18 4.03 0.00 1.86 2.08 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.64 7.81 25 K 8.02 3.88 0.00 1.96 1.92 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.72 1.64 7.81 26 L 7.65 4.38 0.00 2.06 1.80 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.26 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 28 Y 7.53 4.52 0.00 2.96 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 29 N 8.65 4.77 0.00 2.83 2.82 0.00 0.00 6.64 7.71 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 30 P 0.00 4.70 0.00 1.31 1.63 0.00 3.48 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.82 0.00 31 H 8.91 4.50 0.00 2.68 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.78 4.46 0.00 1.62 1.36 0.45 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33 I 9.18 5.04 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.92 0.00 0.00 34 T 8.91 5.03 4.41 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 1.33 0.00 0.00 35 I 8.41 4.75 1.94 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 1.17 0.56 0.27 0.00 0.00 36 N 8.76 4.98 0.00 2.72 2.55 0.00 0.00 7.04 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 37 F 9.24 5.04 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 38 G 7.98 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 39 V 8.80 3.96 2.33 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 0.88 0.00 0.00 1.02 0.00 0.00 40 I 7.41 4.61 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.64 0.00 0.00 41 P 0.00 4.42 0.00 1.82 2.19 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 42 S 7.54 4.16 0.00 3.96 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 43 Y 6.98 4.35 0.00 3.30 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 44 K 6.99 3.84 0.00 1.46 1.84 0.00 1.59 0.00 0.00 1.04 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.49 7.81 45 L 7.98 3.87 0.00 1.61 1.63 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.03 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.87 0.00 2.39 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 2.43 2.53 0.00 48 E 8.33 4.13 0.00 2.16 1.99 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 2.34 2.58 0.00 49 T 8.20 3.88 4.61 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 1.38 0.00 0.00 50 A 8.37 3.88 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 51 K 8.09 3.85 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.48 7.81 52 I 7.82 3.69 2.01 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 1.64 0.46 0.93 0.00 0.00 53 L 8.12 4.13 0.00 1.93 1.81 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.10 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 55 F 7.78 5.12 0.00 2.72 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 56 K 8.59 4.26 0.00 1.72 1.75 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.46 7.81 57 H 8.68 5.36 0.00 3.02 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 9.23 4.65 0.00 1.58 1.59 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.29 7.81 59 V 8.15 4.49 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 0.38 0.00 0.00 0.49 0.00 0.00 60 I 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0.00 2.30 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 2.36 0.00 120 I 7.92 3.60 2.11 0.00 0.00 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 1.75 0.74 1.07 0.00 0.00 121 Q 7.92 3.91 0.00 1.73 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.01 1.66 0.00 122 S 7.79 4.14 0.00 3.88 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 0.00 123 L 7.96 4.01 0.00 1.87 1.61 0.54 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.33 4.13 0.00 2.00 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 2.59 2.43 0.00 *126 R 7.87 4.27 0.00 1.85 2.00 0.00 3.13 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 1.51 1.75 0.00 127 K 7.85 4.33 0.00 1.72 1.78 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.29 7.81 128 N 8.16 4.24 0.00 2.81 2.80 0.00 0.00 6.87 7.25 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 0.00 129 I 6.92 4.92 2.00 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 1.37 0.81 1.01 0.00 0.00 130 Q 8.90 4.53 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 131 Y 9.26 5.21 0.00 2.88 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 0.00 132 I 8.62 4.37 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.00 0.74 0.00 0.00 133 T 8.01 4.81 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 0.95 0.00 0.00 134 P 0.00 4.24 0.00 1.98 2.11 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 135 L 7.35 4.31 0.00 2.07 1.66 0.99 0.58 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 *137 G 7.86 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 0.00 138 F 8.49 4.64 0.00 2.97 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 0.00 139 G 8.60 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 0.00 140 Y 9.67 4.17 0.00 3.04 2.99 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 0.00 141 K 8.21 3.98 0.00 1.98 1.85 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.61 7.81 142 T 7.94 4.02 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 1.30 0.00 0.00 143 L 8.15 3.96 0.00 2.06 1.66 0.90 0.80 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 0.00 144 R 7.97 3.76 0.00 1.57 1.95 0.00 3.07 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 145 H 7.88 4.28 0.00 3.22 3.45 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 0.00 146 L 8.41 3.94 0.00 1.73 1.84 0.94 0.78 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 0.00 147 A 8.26 4.13 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 0.00 0.00 0.00 0.00 0.00 148 S 7.61 4.24 0.00 4.07 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 0.00 149 E 7.75 3.86 0.00 1.85 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 1.96 1.98 0.00 150 F 8.19 4.19 0.00 2.27 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 0.00 0.00 0.00 151 F 7.37 5.74 0.00 3.08 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 0.00 152 I 9.29 4.21 2.00 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 1.27 0.96 0.94 0.00 0.00 153 L 8.59 5.24 0.00 1.52 1.56 1.04 0.98 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 0.00 154 E 8.99 4.63 0.00 2.00 1.75 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 2.18 2.25 0.00 155 E 8.88 4.84 0.00 1.89 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 2.30 2.25 0.00 156 I 8.09 4.60 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.90 0.00 0.00 157 K 8.46 4.54 0.00 1.83 1.87 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.37 7.81 *163 S 7.86 4.29 0.00 3.89 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 0.00 164 S 7.68 4.77 0.00 3.99 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 0.00 165 D 7.24 4.39 0.00 2.40 2.49 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 0.00 0.00 0.00 0.00 166 Y 7.65 4.60 0.00 3.12 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 0.00 167 E 8.02 3.51 0.00 1.79 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 1.92 1.47 0.00 168 A 7.80 3.90 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 0.00 169 E 8.16 4.04 0.00 2.22 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 2.48 2.53 0.00 170 I 7.68 3.74 1.86 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 1.48 0.98 1.02 0.00 0.00 171 R 7.99 3.98 0.00 2.04 1.99 0.00 3.26 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 172 H 8.03 4.04 0.00 3.35 3.47 0.00 5.60 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 0.00 173 I 7.44 3.71 2.10 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 1.55 0.77 0.91 0.00 0.00 174 L 8.05 4.16 0.00 2.00 1.85 1.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.34 4.18 0.00 1.97 1.87 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 176 E 8.45 4.11 0.00 2.09 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 2.28 2.44 0.00 177 R 7.99 4.40 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 178 G 7.80 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 0.00 179 E 7.54 4.25 0.00 2.28 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 2.39 2.44 0.00 180 S 8.38 4.77 0.00 4.00 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 0.00 181 P 0.00 4.63 0.00 2.34 2.35 0.00 3.71 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 182 E 8.41 4.06 0.00 1.93 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 2.34 2.45 0.00 183 K 7.19 3.69 0.00 1.34 0.86 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.47 0.75 7.81 184 Y 7.50 4.43 0.00 2.20 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 0.00 185 F 8.41 4.99 0.00 3.08 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 0.00 186 P 0.00 4.49 0.00 2.21 2.06 0.00 3.87 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 2.01 1.99 0.00 187 E 8.70 4.25 0.00 2.02 1.99 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 2.37 2.34 0.00 188 H 8.30 4.84 0.00 3.28 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 7.97 4.30 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 190 Q 8.57 4.73 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 191 T 8.32 5.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 192 R 9.12 4.51 0.00 1.80 1.85 0.00 3.20 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 193 V 8.18 4.17 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 0.42 0.00 0.00 0.51 0.00 0.00 194 V 8.59 4.47 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 0.75 0.00 0.00 0.92 0.00 0.00 195 G 7.57 4.09 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 0.00 0.00 0.00 196 L 8.48 4.84 0.00 1.71 1.91 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.32 4.18 0.00 1.82 1.63 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.31 7.81 198 K 7.50 4.18 0.00 1.55 1.72 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.26 7.81 199 E 8.33 4.43 0.00 2.08 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 2.29 2.28 0.00 200 I 8.05 4.22 1.90 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 1.27 0.94 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.