NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1328 8.2649 123.5675 51.8826 20.0540 175.8564 3 R 4.5079 7.8003 120.7160 53.9938 33.6452 173.0114 4 Y 5.3855 8.5488 118.7795 56.2336 42.7263 174.0771 5 I 5.1344 9.1016 116.0572 59.4074 41.1447 174.0446 6 N 5.3918 9.1599 121.6575 52.1838 40.9608 174.1669 7 I 4.7421 8.7015 123.0432 59.8290 40.6111 174.6345 8 T 4.9824 8.5148 123.4456 61.6119 72.6469 173.1641 9 L 4.7343 8.9158 126.6895 53.5479 42.2860 177.6597 10 E 3.8964 8.9188 125.4359 59.2307 29.8350 178.9744 11 K 4.0535 8.8842 119.4166 59.4864 32.3349 178.5268 12 R 3.9210 8.2661 116.3428 57.1775 30.0694 176.9067 13 G 3.7957 7.8740 105.5706 46.7723 0.0000 173.4077 14 V 4.4253 7.6376 118.6351 60.9524 34.1348 174.2764 15 T 5.2470 8.5272 123.5237 61.8905 72.1136 172.5726 16 C 5.0455 9.1711 119.1121 56.3439 34.1181 172.2889 17 K 5.1731 8.9974 119.5602 54.5510 34.9468 174.4632 18 A 5.2760 9.2235 128.3021 49.8125 22.6264 174.9032 19 L 3.9856 8.9095 124.8724 54.6540 43.3069 175.7433 20 L 4.5766 8.4376 129.8159 54.3689 42.6980 177.9013 21 L 4.3966 8.7781 129.8143 53.6299 40.2658 177.4738 22 D 4.3943 7.7223 119.7933 57.1379 41.7797 178.5929 23 D 4.4143 8.1693 117.8972 56.2250 39.5772 177.6949 24 V 4.0205 7.6531 110.5888 61.0040 33.3181 175.9478 25 A 4.8031 8.1635 122.7773 49.3978 18.8883 174.7299 26 P 4.2836 0.0000 0.0000 65.4415 32.0098 179.1675 27 R 3.8802 8.5842 118.2983 59.1056 29.9035 179.2590 28 T 3.4869 8.6691 115.8807 66.4449 68.3348 177.0079 29 S 4.1850 8.0759 117.1014 61.5031 62.7993 176.7925 30 K 3.9589 8.1377 121.8681 59.4291 31.7775 178.4357 31 A 4.0898 7.6967 119.7230 55.3783 18.5615 179.6172 32 V 3.5060 7.9644 116.4557 65.8300 31.5471 177.7894 33 W 4.1677 8.5038 128.4024 60.8934 30.3685 177.6949 34 D 4.5112 8.6399 116.9470 56.3347 40.2967 177.5012 35 A 4.4726 7.4785 118.9159 50.8316 19.8956 176.9905 36 L 4.0732 6.7008 118.1486 53.6352 42.3615 175.2302 37 P 4.7216 0.0000 0.0000 62.8109 32.7930 175.3158 38 Q 4.7039 8.9394 119.9580 54.2692 32.0254 174.6858 39 S 5.1092 8.4380 117.5135 57.3212 65.6378 172.6229 40 S 4.5481 9.1003 119.9483 57.0276 66.6886 173.5886 41 Q 4.1829 8.8408 123.4636 56.6025 28.7201 177.1425 42 V 3.9280 7.8802 126.2593 61.6150 32.5968 175.6533 43 F 4.7552 8.5298 120.6302 55.8561 43.1044 173.4219 44 H 4.8840 8.9564 122.2032 55.1625 30.6993 175.1745 45 G 3.9447 8.8487 113.2810 46.2745 0.0000 173.5039 46 K 4.6450 8.7624 121.2321 56.4223 33.3238 176.9684 47 Y 4.6209 7.4801 115.2639 57.6427 39.8780 176.6418 48 A 4.8610 7.3774 119.4785 50.7467 20.6672 178.7132 49 R 3.7684 8.0224 120.2658 57.7785 29.5741 178.4819 50 N 4.1875 5.7700 114.0476 51.5849 37.1428 174.2643 51 E 4.7940 7.6136 120.8112 54.1264 34.0645 174.3910 52 I 4.8978 8.5827 119.4509 59.6800 41.3856 173.5431 53 Y 5.5017 8.4671 120.6212 56.4693 42.1925 172.4076 54 N 5.7547 9.5307 116.7318 51.1726 41.5632 172.9474 55 L 5.5291 8.7387 117.5990 53.2484 44.9040 176.8933 56 V 4.7078 9.0410 116.1722 58.7080 36.2511 173.3913 57 P 4.6982 0.0000 0.0000 62.4874 31.9860 176.1125 58 A 3.8137 8.3804 125.0262 52.6705 18.1958 177.5386 59 F 4.7412 7.5716 114.4592 56.9304 40.2272 175.9608 60 A 4.4692 7.3914 122.9585 50.8066 19.1186 175.4708 61 P 4.4600 0.0000 0.0000 64.9969 31.6936 177.4231 62 K 4.6354 7.5123 114.6392 54.7979 34.2177 175.6859 63 E 4.0972 8.6041 121.0855 55.8225 30.0115 176.4957 64 P 4.1090 0.0000 0.0000 63.5541 31.7167 177.6204 65 G 3.7610 7.2544 107.7740 43.8511 0.0000 172.6760 66 A 4.1061 8.2194 121.5149 52.3197 18.6739 177.0035 67 E 4.4002 9.0004 122.3858 56.3479 33.0539 174.4381 68 N 4.1611 8.8011 125.6772 54.6267 37.5684 173.6161 69 T 4.7369 7.5563 105.3949 61.4942 70.5725 173.7377 70 T 4.5901 8.4830 116.2265 60.7433 70.6987 174.5814 71 V 4.4472 8.2090 117.7616 61.3837 33.0392 175.4523 72 T 4.8597 7.6415 109.7506 59.4385 66.9386 172.1748 73 P 4.4709 0.0000 0.0000 63.3162 32.8930 177.0680 74 I 4.5663 8.8937 114.9988 57.9759 41.2500 173.0617 75 P 4.6474 0.0000 0.0000 64.4738 31.5961 177.1944 76 G 4.0738 9.5531 112.2455 45.0016 0.0000 172.9678 77 D 4.8968 8.2227 120.7302 54.3701 42.2391 175.4543 78 V 4.9018 8.6417 122.7190 61.3867 34.0106 174.1204 79 C 5.5841 9.4458 125.2142 58.1363 32.1217 172.1293 80 Y 5.2197 9.0199 122.4446 55.9580 41.3369 174.3075 81 F 5.0691 9.0638 124.5445 55.9561 42.8189 173.9786 82 T 4.7263 8.4417 119.6836 62.3036 69.7139 174.0257 83 F 5.2788 9.3707 124.8346 55.9420 43.8891 174.0777 84 T 4.9709 9.1384 110.5848 59.9859 71.3324 175.7999 85 S 4.1515 8.5446 117.5267 61.8816 63.0731 177.0672 86 N 4.2714 7.6309 116.5374 56.4179 38.4749 176.1802 87 D 4.4913 8.0026 116.8084 56.4885 41.1561 177.0706 88 L 3.9489 7.6123 119.0974 56.4988 43.9678 178.3427 89 K 4.3430 8.3959 120.9361 54.0523 30.1071 178.1351 90 T 4.7781 7.1154 112.7687 58.9271 72.1636 174.0982 91 P 4.2296 0.0000 0.0000 65.8893 31.4504 177.9692 92 S 4.2095 8.1682 110.8072 61.3834 63.3397 174.7282 93 H 3.9180 8.0566 119.7770 58.0535 27.4789 176.9254 *104 V 3.9327 8.1807 118.2530 61.1586 34.1438 177.4686 105 Q 4.6030 8.4659 121.5388 55.0679 31.0024 174.8797 106 T 4.9208 8.3252 118.5258 62.6110 70.4428 173.8226 107 I 5.0267 8.9875 127.1884 59.4230 41.0966 174.5171 108 V 4.6374 9.1148 125.7547 61.1230 34.1755 173.6317 109 D 5.4458 8.9964 127.5755 52.7657 43.4059 174.6266 110 L 5.4098 8.8111 125.8471 53.2079 43.7385 175.3576 111 A 5.5446 9.4584 126.0663 50.0889 22.6398 174.6970 112 V 4.8087 9.0541 121.0460 61.1849 34.5285 174.2793 113 F 5.1059 9.3698 127.4742 56.4489 40.1507 175.7858 114 Y 4.7616 8.7518 121.8840 57.0624 39.1178 175.2513 115 G 3.9995 7.4717 107.6179 44.5456 0.0000 170.5508 116 R 4.5328 8.1135 115.4724 54.9630 32.1567 174.5504 117 N 4.1665 8.4694 111.1914 54.9520 35.7617 173.9451 118 N 5.1440 7.9438 113.1786 51.5738 41.4164 175.7132 119 L 4.9693 8.3712 121.2614 53.1561 45.4932 176.2666 120 L 4.9979 9.3192 126.1053 53.3071 40.5508 174.3948 121 L 5.0606 8.0011 121.9861 53.4355 45.6783 173.9163 122 N 4.6206 9.0271 122.8001 51.1839 41.2259 174.9372 123 G 3.8129 8.3032 105.9404 45.9818 0.0000 174.6525 124 D 4.4531 8.3500 121.1825 56.7098 40.9890 177.5787 125 T 4.5946 7.8017 103.2494 60.4136 71.6673 174.2414 126 G 3.8655 7.8492 109.5738 44.3456 0.0000 174.8653 127 W 4.8210 8.4994 124.3683 56.6584 29.6643 175.9092 128 V 4.5915 9.0177 124.1644 60.1286 30.9282 172.6765 129 P 4.7570 0.0000 0.0000 62.0671 32.5105 175.5034 130 G 3.4531 8.6515 110.1305 43.9069 0.0000 172.1636 131 N 5.0970 8.5937 121.5586 52.3601 39.6503 174.5741 132 V 4.4360 8.4204 125.8678 62.3847 31.7599 175.4527 133 F 5.0894 9.0535 122.3948 56.6034 39.9178 174.5290 134 A 4.9954 7.0878 120.0786 51.0923 22.9700 174.7510 135 T 5.0147 8.6285 113.5759 60.0980 70.6891 173.2164 136 I 4.3307 8.8634 130.9185 61.8478 37.0369 176.2950 137 V 4.4469 9.2412 119.9308 61.4600 33.7453 175.9361 138 E 4.5422 7.9300 119.3551 55.6111 34.0471 176.3005 139 G 4.3600 9.0554 110.8116 45.3055 0.0000 174.8781 140 L 3.9696 7.9998 122.1382 58.1364 42.5769 178.0177 141 D 4.5740 8.3016 117.9130 57.6857 41.1576 179.5173 142 E 4.0231 7.7309 116.0539 56.6844 28.9090 178.8649 *144 A 4.0534 8.2147 123.5306 52.2015 20.7837 179.7580 145 A 3.9609 8.1036 117.2874 55.3605 18.3618 179.7590 146 A 3.9263 7.9775 119.2047 55.4688 18.3746 179.7143 147 C 3.9416 7.5660 114.8101 62.7959 27.8605 176.1196 148 Q 4.2039 7.8142 119.2011 58.9948 28.5637 177.9574 149 D 4.4673 8.1490 119.1357 57.1557 41.2138 178.4296 150 I 4.1932 7.6622 122.0597 63.3150 36.9408 177.6756 151 W 4.3915 8.1665 125.8404 59.2206 30.5441 176.5724 *153 G 3.7099 7.3529 104.7131 45.1043 0.0000 173.7251 154 G 3.8767 8.3547 105.6989 45.4652 0.0000 173.7200 155 A 4.6228 8.0607 117.8411 51.3055 19.7647 176.4750 156 R 4.0678 7.9167 116.0984 58.1251 30.3651 176.0927 157 D 4.3727 8.7168 120.3266 54.9716 38.8656 172.4795 158 E 4.6629 7.9259 120.2918 54.8001 32.0954 174.8300 159 T 4.9122 8.1833 121.6815 61.6504 72.6786 172.2210 160 L 4.8389 8.8234 128.9488 53.9135 44.0568 175.0482 161 T 5.0632 8.7759 123.3350 61.8189 71.7102 172.8337 162 F 5.3270 9.7003 126.0319 55.9431 41.1917 175.2196 163 S 4.9213 8.9702 117.0505 56.4581 66.9901 173.4255 164 R 4.2345 8.2396 119.6888 56.0151 30.5372 176.2193 165 A 4.3563 9.0601 128.6048 51.6333 19.4615 178.1444 166 E 4.1575 9.0138 117.4890 56.4882 29.6982 174.2353 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 2 A 8.26 4.13 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 3 R 7.80 4.51 0.00 1.33 1.02 0.00 2.21 0.00 0.00 2.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 4 Y 8.55 5.39 0.00 2.98 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 5 I 9.10 5.13 2.20 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 1.29 0.00 0.00 6 N 9.16 5.39 0.00 2.65 2.75 0.00 0.00 6.88 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 7 I 8.70 4.74 1.76 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 1.16 0.86 0.39 0.00 0.00 8 T 8.51 4.98 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 1.19 0.00 0.00 9 L 8.92 4.73 0.00 1.47 1.71 0.83 0.74 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 10 E 8.92 3.90 0.00 1.91 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 0.00 2.44 2.35 0.00 11 K 8.88 4.05 0.00 1.75 2.12 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 12 R 8.27 3.92 0.00 1.84 1.94 0.00 3.38 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 13 G 7.87 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.64 4.43 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 15 T 8.53 5.25 4.21 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 1.24 0.00 0.00 16 C 9.17 5.05 0.00 3.18 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 17 K 9.00 5.17 0.00 1.83 1.66 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 18 A 9.22 5.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.91 3.99 0.00 1.85 1.57 0.49 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.44 4.58 0.00 1.78 1.52 1.31 1.31 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 21 L 8.78 4.40 0.00 1.79 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.72 4.39 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.17 4.41 0.00 2.75 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 24 V 7.65 4.02 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 0.70 0.00 0.00 0.91 0.00 0.00 25 A 8.16 4.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.28 0.00 2.23 2.41 0.00 3.77 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 2.15 2.02 0.00 27 R 8.58 3.88 0.00 1.97 1.92 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 28 T 8.67 3.49 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 0.54 0.00 0.00 29 S 8.08 4.19 0.00 4.07 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 30 K 8.14 3.96 0.00 1.83 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.58 7.81 31 A 7.70 4.09 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 32 V 7.96 3.51 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 0.92 0.00 0.00 0.51 0.00 0.00 33 W 8.50 4.17 0.00 3.60 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 34 D 8.64 4.51 0.00 2.82 2.80 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 0.00 0.00 0.00 35 A 7.48 4.47 1.02 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 36 L 6.70 4.07 0.00 1.21 1.39 0.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.72 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 38 Q 8.94 4.70 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.04 1.68 0.00 39 S 8.44 5.11 0.00 3.84 3.69 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 40 S 9.10 4.55 0.00 3.99 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 41 Q 8.84 4.18 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 1.99 1.28 0.00 42 V 7.88 3.93 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 0.57 0.00 0.00 0.81 0.00 0.00 43 F 8.53 4.76 0.00 1.51 2.51 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 44 H 8.96 4.88 0.00 3.30 3.35 0.00 5.74 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 45 G 8.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.76 4.65 0.00 1.84 1.96 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.51 7.81 47 Y 7.48 4.62 0.00 3.09 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 48 A 7.38 4.86 1.41 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 49 R 8.02 3.77 0.00 1.84 1.96 0.00 3.27 0.00 0.00 3.26 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 50 N 5.77 4.19 0.00 2.51 1.66 0.00 0.00 6.67 7.37 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 51 E 7.61 4.79 0.00 1.54 1.52 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 2.01 1.47 0.00 52 I 8.58 4.90 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.86 0.00 0.00 53 Y 8.47 5.50 0.00 3.43 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 54 N 9.53 5.75 0.00 3.03 3.05 0.00 0.00 7.17 6.20 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 55 L 8.74 5.53 0.00 1.70 1.70 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.04 4.71 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 0.92 0.00 0.00 1.23 0.00 0.00 57 P 0.00 4.70 0.00 1.99 2.03 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 58 A 8.38 3.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.57 4.74 0.00 3.10 3.18 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 0.00 0.00 0.00 0.00 60 A 7.39 4.47 1.30 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 0.00 0.00 61 P 0.00 4.46 0.00 2.06 2.15 0.00 3.71 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 2.05 2.11 0.00 62 K 7.51 4.64 0.00 1.78 1.71 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.43 7.81 63 E 8.60 4.10 0.00 1.99 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 2.37 2.23 0.00 64 P 0.00 4.11 0.00 1.90 1.88 0.00 3.72 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.00 65 G 7.25 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 66 A 8.22 4.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.00 4.40 0.00 1.87 1.65 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 2.23 2.23 0.00 68 N 8.80 4.16 0.00 3.08 2.86 0.00 0.00 6.97 7.22 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 69 T 7.56 4.74 4.18 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 0.00 0.00 0.00 1.22 0.00 0.00 70 T 8.48 4.59 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 1.09 0.00 0.00 71 V 8.21 4.45 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 0.80 0.00 0.00 0.30 0.00 0.00 72 T 7.64 4.86 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 73 P 0.00 4.47 0.00 0.53 1.33 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.08 0.00 74 I 8.89 4.57 1.85 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 1.49 0.85 0.91 0.00 0.00 75 P 0.00 4.65 0.00 2.09 2.10 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 76 G 9.55 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 77 D 8.22 4.90 0.00 2.82 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 78 V 8.64 4.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 79 C 9.45 5.58 0.00 3.20 2.53 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 80 Y 9.02 5.22 0.00 2.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.06 5.07 0.00 2.62 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 0.00 0.00 0.00 82 T 8.44 4.73 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 1.25 0.00 0.00 83 F 9.37 5.28 0.00 2.90 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 84 T 9.14 4.97 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 1.26 0.00 0.00 85 S 8.54 4.15 0.00 3.92 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 86 N 7.63 4.27 0.00 2.67 2.90 0.00 0.00 7.08 7.94 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 87 D 8.00 4.49 0.00 2.91 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 88 L 7.61 3.95 0.00 1.41 1.36 0.83 -0.11 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 89 K 8.40 4.34 0.00 1.74 1.64 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.25 7.81 90 T 7.12 4.78 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 1.22 0.00 0.00 91 P 0.00 4.23 0.00 2.05 2.16 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 92 S 8.17 4.21 0.00 3.88 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 93 H 8.06 3.92 0.00 3.22 3.08 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 V 8.18 3.93 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 0.93 0.00 0.00 105 Q 8.47 4.60 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 106 T 8.33 4.92 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 1.18 0.00 0.00 107 I 8.99 5.03 1.98 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 1.15 1.00 1.07 0.00 0.00 108 V 9.11 4.64 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 0.19 0.00 0.00 0.39 0.00 0.00 109 D 9.00 5.45 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.81 5.41 0.00 1.85 1.13 0.50 0.21 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 0.00 111 A 9.46 5.54 1.55 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 0.00 0.00 112 V 9.05 4.81 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 1.07 0.00 0.00 1.07 0.00 0.00 113 F 9.37 5.11 0.00 3.19 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 0.00 114 Y 8.75 4.76 0.00 2.93 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 0.00 115 G 7.47 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 0.00 116 R 8.11 4.53 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 117 N 8.47 4.17 0.00 2.86 2.92 0.00 0.00 6.70 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.94 5.14 0.00 2.53 3.06 0.00 0.00 6.97 7.85 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 0.00 119 L 8.37 4.97 0.00 1.63 1.68 0.98 0.89 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 0.00 120 L 9.32 5.00 0.00 1.95 2.18 1.20 0.57 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 0.00 121 L 8.00 5.06 0.00 1.12 1.28 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 122 N 9.03 4.62 0.00 1.93 1.42 0.00 0.00 6.55 6.86 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 0.00 123 G 8.30 3.81 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 0.00 0.00 0.00 124 D 8.35 4.45 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.80 4.59 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 1.22 0.00 0.00 126 G 7.85 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 0.00 127 W 8.50 4.82 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 4.59 2.38 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 1.11 0.00 0.00 1.07 0.00 0.00 129 P 0.00 4.76 0.00 1.99 1.96 0.00 3.81 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 2.06 2.13 0.00 130 G 8.65 3.45 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 0.00 131 N 8.59 5.10 0.00 2.82 2.75 0.00 0.00 6.52 8.54 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 0.00 132 V 8.42 4.44 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 0.76 0.00 0.00 0.90 0.00 0.00 133 F 9.05 5.09 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.09 5.00 1.02 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 0.00 135 T 8.63 5.01 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 1.23 0.00 0.00 136 I 8.86 4.33 1.93 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 1.28 0.85 1.04 0.00 0.00 137 V 9.24 4.45 2.16 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 0.87 0.00 0.00 1.16 0.00 0.00 138 E 7.93 4.54 0.00 1.95 1.76 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 2.29 1.88 0.00 139 G 9.06 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 0.00 0.00 0.00 0.00 140 L 8.00 3.97 0.00 1.64 1.75 1.01 1.30 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 0.00 141 D 8.30 4.57 0.00 2.76 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 0.00 142 E 7.73 4.02 0.00 2.33 1.94 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 2.32 2.30 0.00 *144 A 8.21 4.05 1.55 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 0.00 0.00 145 A 8.10 3.96 1.32 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 0.00 0.00 0.00 146 A 7.98 3.93 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 0.00 147 C 7.57 3.94 0.00 1.62 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 0.00 0.00 0.00 148 Q 7.81 4.20 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 149 D 8.15 4.47 0.00 2.88 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 0.00 150 I 7.66 4.19 2.05 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 1.34 1.72 0.94 0.00 0.00 151 W 8.17 4.39 0.00 3.07 3.49 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 *153 G 7.35 3.71 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 0.00 0.00 0.00 154 G 8.35 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 0.00 155 A 8.06 4.62 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 0.00 156 R 7.92 4.07 0.00 1.77 1.87 0.00 3.50 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 157 D 8.72 4.37 0.00 2.78 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 0.00 158 E 7.93 4.66 0.00 2.01 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 2.13 2.20 0.00 159 T 8.18 4.91 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 160 L 8.82 4.84 0.00 1.67 1.53 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.78 5.06 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 162 F 9.70 5.33 0.00 2.96 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 0.00 163 S 8.97 4.92 0.00 3.78 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 R 8.24 4.23 0.00 1.43 1.55 0.00 2.72 0.00 0.00 2.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 165 A 9.06 4.36 1.41 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 0.00 166 E 9.01 4.16 0.00 2.00 1.76 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 2.24 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.