NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4094 8.3344 115.4145 58.2388 64.5299 171.5812 4 Q 4.1109 8.3291 120.8939 54.9590 30.6837 174.0881 5 K 4.5747 9.1342 127.1956 56.3538 33.8454 174.9666 6 Y 5.1590 9.3847 123.0347 56.0753 41.6162 174.7398 7 L 5.1671 8.8140 122.4450 53.1706 44.8081 175.7326 8 F 4.9371 9.8172 124.7095 56.5173 40.2031 174.9596 9 I 5.0422 9.0489 126.0596 59.0841 39.5084 175.3869 10 D 4.9137 8.9722 127.3780 54.4036 41.6377 174.9963 11 R 4.0992 8.7704 122.6379 58.1338 31.0271 175.3199 12 D 4.6764 7.7939 119.2570 55.7613 41.3958 177.0740 13 G 4.1368 9.6588 114.1554 45.6678 0.0000 173.1288 14 T 3.7461 7.6773 113.5917 64.9128 71.3023 175.9736 15 L 4.2075 8.1918 120.8571 56.3445 42.3700 176.6085 16 I 4.9045 7.1217 109.8174 58.3837 41.4719 174.7535 17 S 4.8805 8.9381 118.2609 57.8811 62.9933 173.0118 18 E 4.3706 8.7034 127.7988 54.5720 30.5471 174.2366 19 P 4.2691 0.0000 0.0000 61.9350 31.7973 175.6952 20 P 4.0832 0.0000 0.0000 64.9424 31.6734 177.4785 21 S 4.2523 7.7032 112.5713 59.2623 64.2227 174.3466 22 D 4.7258 7.1724 116.7111 51.6367 39.9784 175.6244 23 F 3.8521 7.3193 115.8248 58.4699 37.1955 174.8248 24 Q 4.2490 7.5922 117.1440 54.1514 31.4052 176.3684 25 V 3.9660 8.3637 123.8424 61.5548 30.0212 174.5327 26 D 5.3279 8.0944 119.4656 51.5727 40.4148 176.9201 27 R 4.6106 7.3529 118.0014 54.4094 34.3743 175.9138 28 F 4.1947 8.7572 120.1228 60.8906 39.0574 176.7167 29 D 4.6494 8.2346 116.3623 53.9714 39.2342 176.5159 30 K 4.4020 7.9144 118.0781 56.1755 32.8943 175.7705 31 L 4.2923 7.7885 122.3800 54.3345 42.8149 175.6304 32 A 4.9147 8.2106 126.1846 50.5846 22.8300 174.7724 33 F 4.6092 8.9795 119.5689 56.6726 40.3012 175.7697 34 E 4.4122 8.9184 122.2267 55.5254 30.7593 174.9550 35 P 4.3439 0.0000 0.0000 63.9537 32.0637 177.1380 36 G 4.0739 9.1567 110.3245 46.1134 0.0000 175.4362 37 V 2.7954 7.6808 121.2098 64.5971 31.0504 178.5424 38 I 3.8230 7.7006 120.0218 63.6597 37.1431 176.3826 39 P 4.2812 0.0000 0.0000 66.1163 30.8391 178.3849 40 Q 4.0006 8.1236 117.7656 58.7365 28.6945 178.5037 41 L 3.8191 7.7661 120.0112 57.5471 41.5233 179.5913 42 L 3.9514 7.8988 119.1092 57.5548 41.3266 179.3421 43 K 3.9344 8.0448 118.7602 59.5074 32.4702 178.5521 44 L 4.2357 8.3424 119.6036 57.8865 41.5034 179.3166 45 Q 4.2819 8.3914 119.7089 58.4639 28.5024 179.2832 46 K 4.0660 8.0304 117.2636 58.2551 32.0646 178.1146 47 A 4.5767 7.6434 119.6834 51.5834 19.1958 177.6621 48 G 3.7707 8.0672 106.9394 45.4742 0.0000 173.6753 49 Y 4.3105 7.6881 118.0417 57.6614 39.1888 174.8463 50 K 4.4836 8.9391 123.4353 54.9083 35.0756 175.3048 51 L 5.1823 8.2736 121.7992 52.9863 45.1224 175.5813 52 V 4.9166 8.7496 122.7029 61.3514 35.0730 173.6445 53 M 4.8368 9.0813 128.0127 54.4408 34.2254 174.5656 54 I 5.0816 8.9433 125.9771 59.7275 41.6140 173.6310 55 T 4.9208 9.0760 123.7981 60.6360 71.2391 171.9356 56 N 5.0490 8.8270 125.6539 52.5494 40.5656 174.0944 57 Q 4.8512 9.4098 123.8230 53.0942 29.9657 172.6514 58 D 4.9104 8.0142 120.0508 55.0646 41.5102 176.8062 59 G 3.8646 8.9055 113.1211 46.0975 0.0000 172.3240 60 L 4.0123 7.7659 122.3864 56.0814 42.0357 177.1805 61 G 3.8862 9.4192 116.6379 45.2808 0.0000 173.3011 62 T 4.3944 7.5836 110.2300 59.8674 70.5133 175.4627 63 Q 4.0280 8.6240 122.2818 59.3859 28.9564 177.8006 64 S 4.3868 7.6154 111.9817 60.7176 63.5338 174.6131 65 F 5.3815 8.1284 122.2572 55.9526 39.7714 171.1964 66 P 4.5382 0.0000 0.0000 62.0028 32.6087 177.2680 67 Q 3.7518 8.9534 123.1398 59.6817 28.9302 179.2416 68 A 4.0879 7.9770 120.7054 55.1001 17.8494 179.2365 69 D 4.3966 8.1810 117.8236 57.2864 40.9353 178.7273 70 F 4.1126 7.9480 120.6654 61.3419 39.5383 176.5645 71 D 4.4734 8.8607 119.0651 57.7868 40.6547 178.6903 72 G 3.5736 7.5285 104.5718 47.8502 0.0000 173.8268 73 P 4.2511 0.0000 0.0000 64.6823 31.3711 178.5187 74 H 3.8753 7.7730 117.1781 59.2661 29.7362 177.0227 75 N 4.3037 8.5604 118.6516 56.1316 38.2532 177.0384 76 L 3.9571 8.0328 121.6412 58.4263 42.2188 178.3340 77 M 4.1780 8.2349 118.3073 59.4339 31.9889 178.0772 78 M 4.2587 8.3733 118.7429 58.4302 32.0054 178.5394 79 Q 3.9857 8.2355 119.6392 59.2502 29.2872 178.3453 80 I 3.5663 8.0319 120.9749 64.4037 37.0658 178.1730 81 F 4.4237 8.2906 118.4367 61.2691 38.8849 177.9776 82 T 4.1702 8.7175 116.8755 66.2278 68.0853 176.9576 83 S 4.2198 8.3166 115.1949 61.0133 62.9947 175.5598 84 Q 4.3775 7.6416 118.7343 55.6153 28.9109 176.3885 85 G 3.9243 8.0541 108.9184 44.9111 0.0000 173.6652 86 V 4.0049 8.1462 121.1609 61.6691 32.0367 174.6591 87 Q 4.5843 8.2167 125.8748 53.9572 31.2268 174.7090 88 F 4.8033 8.5522 121.1811 55.7457 40.6118 175.3887 89 D 4.7313 9.2854 126.9277 57.3035 41.1658 176.7119 90 E 4.8662 8.2648 115.2948 54.7390 34.6870 174.7570 91 V 4.5982 8.5008 121.3397 61.4344 33.6116 174.6470 92 L 4.7219 9.2703 129.6053 53.2025 43.5405 175.7780 93 I 4.8708 8.2969 124.6142 59.5068 40.1519 174.5612 94 C 4.5145 8.9629 128.4834 57.6657 32.5809 171.7469 95 P 4.7983 0.0000 0.0000 63.2267 32.4281 175.6236 96 H 4.8126 7.7676 118.2453 55.1875 30.0048 174.7439 97 L 4.3924 8.3136 121.5095 53.9457 42.4862 176.7623 98 P 4.2005 0.0000 0.0000 65.7878 31.3960 178.5127 99 A 4.1831 7.8503 118.9906 54.2758 18.5526 178.1205 100 D 4.3314 7.8704 115.3466 55.3688 41.5789 176.3410 101 E 3.6964 7.7703 117.6624 57.3694 27.2013 173.2983 102 C 4.3972 7.4060 112.7158 57.5257 31.3000 174.0328 103 D 4.5056 8.4446 118.7939 55.9145 40.5810 177.0699 104 C 4.5618 7.7303 111.8336 57.6692 31.2046 173.8728 105 R 4.1581 7.7284 121.8929 55.3575 29.9911 175.5155 106 K 4.1311 8.9093 124.9040 56.8280 32.4979 174.4771 107 P 4.6596 0.0000 0.0000 62.7062 31.4711 176.4678 108 K 4.0942 7.8706 118.3780 57.1641 32.4994 177.2059 109 V 4.0208 8.0688 119.5987 62.7511 32.5456 177.6438 110 K 3.9000 8.0469 120.7207 60.3247 32.1137 178.5858 111 L 4.0679 7.9640 116.6688 56.9785 41.8345 177.9031 112 V 4.5024 7.7438 116.7568 62.4215 32.0857 176.5524 113 E 3.9131 8.2763 119.7733 59.9227 29.4629 179.3118 114 R 3.6602 8.1961 116.5056 59.7619 29.9313 176.9624 115 Y 4.1246 7.9319 113.8901 60.0272 38.4226 176.4553 116 L 4.2706 8.1286 122.8050 53.1371 40.1313 175.6518 *121 M 4.5617 7.5000 117.1150 54.8709 32.9502 177.1741 122 D 4.7007 8.6892 120.6382 53.1577 39.1737 176.5399 123 R 3.8940 8.4267 122.0648 58.9575 30.5531 178.0621 124 A 4.1159 8.1202 118.8410 54.2192 18.6251 177.3958 125 N 5.1469 8.4390 111.2677 53.1987 40.1083 174.8745 126 S 5.4002 7.8871 115.4160 57.6677 65.9406 172.6398 127 Y 5.3311 9.1601 118.6017 56.7310 42.9270 174.1482 128 V 4.7928 9.2595 123.4668 61.8464 33.5800 174.5233 129 I 4.9797 9.0447 129.2935 59.9068 39.5230 174.9304 130 G 4.5893 8.8465 113.1674 45.2631 0.0000 173.2187 131 D 5.2594 8.8960 118.0749 53.0487 40.5252 176.6008 132 R 4.6565 8.2196 119.5218 54.0414 32.6785 176.7497 133 A 4.1556 8.6135 122.2722 55.7309 18.1792 180.3439 134 T 3.8231 7.8916 107.5864 64.8084 68.9085 176.4122 135 D 4.3952 8.4766 122.6327 57.2019 40.9622 178.6644 136 I 3.7604 7.6750 120.0017 64.3521 37.1015 178.0904 137 Q 3.9593 8.4290 120.8277 58.8776 28.8543 177.8376 138 L 3.8641 8.0801 121.2794 58.1649 42.0087 178.8287 139 A 3.9564 7.9059 120.3975 55.0358 18.2801 179.2479 140 E 3.8147 8.0743 117.4503 59.6928 29.6109 178.8071 141 N 4.3328 8.2041 115.2174 56.3264 38.6260 176.5719 142 M 4.2573 7.8566 118.3785 55.3377 32.3362 177.2560 143 G 3.8405 7.9096 107.0848 45.3532 0.0000 172.4343 144 I 4.6446 7.4976 113.0167 58.3216 40.8673 174.6384 145 N 4.5564 8.3433 118.5828 53.1954 39.6082 174.8647 146 G 4.5053 8.6408 108.4048 44.4345 0.0000 171.9864 147 L 4.7744 9.2367 125.0942 52.9381 44.4180 175.8650 148 R 4.8270 8.6016 125.3182 54.7961 29.7341 174.5893 149 Y 4.0801 8.5774 127.8415 57.8027 40.2529 174.8726 150 D 4.2111 7.8708 125.5698 52.4724 44.1697 175.4666 151 R 3.7292 8.3988 126.8420 58.5143 30.2024 177.0320 152 E 4.2372 8.3528 116.2301 57.9449 29.9048 177.2352 153 T 4.4591 7.7216 105.5442 61.5791 70.9204 174.5400 154 L 4.4022 7.7526 124.2368 52.6364 43.3365 173.6449 155 N 4.6351 7.5497 121.5687 50.1380 41.5781 175.0460 156 W 4.3921 8.7146 118.7795 60.0251 29.2865 176.6615 157 P 4.4268 0.0000 0.0000 65.8959 30.6586 178.6204 158 M 4.0854 8.1894 117.0888 58.4445 31.8972 178.9181 159 I 3.7405 8.0363 120.2168 64.1646 37.0274 178.6077 160 G 3.9570 8.3639 107.4395 47.1789 0.0000 175.1075 161 E 4.0920 8.1401 121.3798 59.0241 29.5308 178.4403 162 Q 4.0023 8.0908 118.5964 59.1385 29.2139 177.6764 163 L 4.4485 7.6458 116.4028 54.9735 41.9277 176.9410 164 T 4.2960 7.5557 115.2127 61.7519 68.8161 173.7066 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 S 8.33 4.41 0.00 4.06 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 4 Q 8.33 4.11 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.10 0.00 0.00 0.00 0.00 0.00 1.86 1.50 0.00 5 K 9.13 4.57 0.00 1.32 1.52 0.00 1.03 0.00 0.00 1.56 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.26 7.81 6 Y 9.38 5.16 0.00 2.82 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 0.00 0.00 0.00 7 L 8.81 5.17 0.00 1.55 1.61 0.67 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.82 4.94 0.00 2.95 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 9 I 9.05 5.04 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.11 1.20 0.00 0.00 10 D 8.97 4.91 0.00 2.85 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 11 R 8.77 4.10 0.00 1.86 1.80 0.00 3.28 0.00 0.00 3.44 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 12 D 7.79 4.68 0.00 2.76 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 13 G 9.66 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.68 3.75 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 1.03 0.00 0.00 15 L 8.19 4.21 0.00 1.80 1.76 0.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.12 4.90 1.86 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 1.30 1.27 0.37 0.00 0.00 17 S 8.94 4.88 0.00 3.91 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 18 E 8.70 4.37 0.00 2.19 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 2.37 2.49 0.00 19 P 0.00 4.27 0.00 2.05 1.88 0.00 3.64 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 20 P 0.00 4.08 0.00 2.07 2.11 0.00 3.65 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 1.89 1.89 0.00 21 S 7.70 4.25 0.00 3.89 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 22 D 7.17 4.73 0.00 2.74 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 23 F 7.32 3.85 0.00 3.22 3.15 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 24 Q 7.59 4.25 0.00 1.71 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.20 0.00 0.00 0.00 0.00 0.00 1.52 2.20 0.00 25 V 8.36 3.97 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 0.79 0.00 0.00 0.95 0.00 0.00 26 D 8.09 5.33 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.35 4.61 0.00 1.86 1.89 0.00 3.15 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 28 F 8.76 4.19 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 29 D 8.23 4.65 0.00 2.80 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 30 K 7.91 4.40 0.00 1.86 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.33 7.81 31 L 7.79 4.29 0.00 1.66 1.82 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.21 4.91 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 33 F 8.98 4.61 0.00 2.76 2.97 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 34 E 8.92 4.41 0.00 2.20 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 0.00 2.30 2.55 0.00 35 P 0.00 4.34 0.00 2.19 2.10 0.00 4.04 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 36 G 9.16 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 0.00 0.00 0.00 37 V 7.68 2.80 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 1.11 0.00 0.00 0.24 0.00 0.00 38 I 7.70 3.82 1.88 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.78 0.93 0.00 0.00 39 P 0.00 4.28 0.00 2.28 2.32 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 40 Q 8.12 4.00 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.70 2.86 0.00 41 L 7.77 3.82 0.00 1.49 1.39 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.90 3.95 0.00 1.85 1.69 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.04 3.93 0.00 1.87 2.05 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 L 8.34 4.24 0.00 1.77 1.64 0.98 0.65 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 45 Q 8.39 4.28 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 46 K 8.03 4.07 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 47 A 7.64 4.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.07 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 49 Y 7.69 4.31 0.00 3.02 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 50 K 8.94 4.48 0.00 1.00 1.67 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 1.40 7.81 51 L 8.27 5.18 0.00 1.31 1.34 0.37 0.59 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 52 V 8.75 4.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.69 0.00 0.00 53 M 9.08 4.84 0.00 1.88 1.10 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 54 I 8.94 5.08 1.94 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 1.13 1.33 1.00 0.00 0.00 55 T 9.08 4.92 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 1.25 0.00 0.00 56 N 8.83 5.05 0.00 2.69 2.73 0.00 0.00 6.91 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 57 Q 9.41 4.85 0.00 1.77 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 58 D 8.01 4.91 0.00 2.67 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 59 G 8.91 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 0.00 0.00 0.00 60 L 7.77 4.01 0.00 1.44 1.38 -0.26 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.42 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 62 T 7.58 4.39 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 1.24 0.00 0.00 63 Q 8.62 4.03 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.16 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 64 S 7.62 4.39 0.00 4.08 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 65 F 8.13 5.38 0.00 2.95 2.95 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 66 P 0.00 4.54 0.00 2.25 1.97 0.00 3.99 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 2.17 2.22 0.00 67 Q 8.95 3.75 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.81 0.00 68 A 7.98 4.09 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 69 D 8.18 4.40 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.95 4.11 0.00 2.31 2.85 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 71 D 8.86 4.47 0.00 2.70 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 72 G 7.53 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.25 0.00 1.96 1.95 0.00 3.44 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.49 0.00 74 H 7.77 3.88 0.00 2.08 2.70 0.00 5.79 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 75 N 8.56 4.30 0.00 2.82 2.90 0.00 0.00 6.72 6.65 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 76 L 8.03 3.96 0.00 2.07 2.00 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.23 4.18 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.75 0.00 78 M 8.37 4.26 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 79 Q 8.24 3.99 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 80 I 8.03 3.57 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.22 0.00 0.00 81 F 8.29 4.42 0.00 3.28 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.72 4.17 4.37 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 1.26 0.00 0.00 83 S 8.32 4.22 0.00 3.99 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 84 Q 7.64 4.38 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.47 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 85 G 8.05 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 86 V 8.15 4.00 2.31 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 0.28 0.00 0.00 0.96 0.00 0.00 87 Q 8.22 4.58 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.50 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 88 F 8.55 4.80 0.00 3.04 3.14 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 0.00 0.00 0.00 89 D 9.29 4.73 0.00 2.78 2.92 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 90 E 8.26 4.87 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 91 V 8.50 4.60 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 0.85 0.00 0.00 0.92 0.00 0.00 92 L 9.27 4.72 0.00 1.72 1.60 1.08 0.84 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 93 I 8.30 4.87 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.69 0.00 0.00 94 C 8.96 4.51 0.00 3.13 2.96 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 95 P 0.00 4.80 0.00 2.08 2.03 0.00 3.35 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 96 H 7.77 4.81 0.00 3.28 3.38 0.00 5.81 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 97 L 8.31 4.39 0.00 1.86 1.59 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.20 0.00 2.15 2.09 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 99 A 7.85 4.18 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 0.00 100 D 7.87 4.33 0.00 2.86 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 0.00 101 E 7.77 3.70 0.00 2.08 1.93 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 2.24 2.28 0.00 102 C 7.41 4.40 0.00 2.85 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 0.00 103 D 8.44 4.51 0.00 2.67 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 0.00 104 C 7.73 4.56 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 0.00 105 R 7.73 4.16 0.00 1.88 1.85 0.00 3.25 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 106 K 8.91 4.13 0.00 1.77 1.75 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 115 Y 7.93 4.12 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.13 4.27 0.00 1.77 1.63 0.87 0.82 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 *121 M 7.50 4.56 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.00 0.00 122 D 8.69 4.70 0.00 2.85 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 0.00 123 R 8.43 3.89 0.00 1.86 2.04 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 124 A 8.12 4.12 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 0.00 125 N 8.44 5.15 0.00 2.72 2.94 0.00 0.00 6.91 7.95 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 0.00 126 S 7.89 5.40 0.00 3.97 4.08 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 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8.48 4.40 0.00 2.81 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 0.00 136 I 7.68 3.76 2.01 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 1.54 1.39 0.92 0.00 0.00 137 Q 8.43 3.96 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 138 L 8.08 3.86 0.00 1.89 1.85 0.89 0.90 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 0.00 139 A 7.91 3.96 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 0.00 140 E 8.07 3.81 0.00 2.07 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 2.29 2.34 0.00 141 N 8.20 4.33 0.00 2.80 2.84 0.00 0.00 7.13 7.70 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 0.00 142 M 7.86 4.26 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 143 G 7.91 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 0.00 144 I 7.50 4.64 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.99 0.00 0.00 145 N 8.34 4.56 0.00 1.83 2.62 0.00 0.00 7.10 6.92 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 0.00 146 G 8.64 4.51 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 0.00 0.00 0.00 147 L 9.24 4.77 0.00 1.53 1.50 0.59 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.60 4.83 0.00 1.80 1.85 0.00 3.31 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 149 Y 8.58 4.08 0.00 2.92 2.78 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 0.00 150 D 7.87 4.21 0.00 2.48 2.27 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 0.00 151 R 8.40 3.73 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.96 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 152 E 8.35 4.24 0.00 2.05 1.93 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 2.29 2.26 0.00 153 T 7.72 4.46 4.17 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 1.19 0.00 0.00 154 L 7.75 4.40 0.00 1.55 1.40 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.55 4.64 0.00 3.04 2.94 0.00 0.00 6.12 8.88 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 0.00 156 W 8.71 4.39 0.00 3.80 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.43 0.00 2.21 2.17 0.00 3.98 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 158 M 8.19 4.09 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 159 I 8.04 3.74 1.92 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 1.26 0.84 0.80 0.00 0.00 160 G 8.36 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 0.00 161 E 8.14 4.09 0.00 2.44 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 2.32 2.33 0.00 162 Q 8.09 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 163 L 7.65 4.45 0.00 1.61 1.50 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.56 4.30 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.