NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9288 8.3549 109.7348 44.9842 0.0000 173.9552 -3 P 4.3298 0.0000 0.0000 60.9455 32.1603 174.5529 -2 L 3.9830 8.6035 122.3992 55.2306 43.0056 177.2851 -1 G 4.0194 8.2081 111.4894 43.9236 0.0000 173.7846 0 S 4.2324 8.2770 113.8332 58.7384 64.5990 174.9256 1 M 4.1619 8.8302 125.0265 58.0956 32.1365 178.6493 2 S 4.0978 8.0665 114.1879 61.3820 62.9926 176.0363 3 Q 4.0623 7.9953 122.6884 58.4221 29.1096 177.7386 4 S 4.0391 7.9062 115.0815 61.5733 62.6849 176.2071 5 N 4.4602 8.6142 119.8773 55.0217 38.2539 177.0012 6 R 4.2533 7.5940 119.8881 58.4713 30.6305 177.7306 7 E 3.8826 8.7358 119.7294 59.1049 29.5609 178.6033 8 L 3.9803 7.5252 119.6006 57.6202 42.1280 178.9248 9 V 3.5001 7.1865 118.6444 66.0472 31.4146 178.1533 10 V 2.8696 7.5211 117.8490 65.6164 31.3411 177.2445 11 D 4.2032 7.7728 117.4526 57.4608 41.1936 178.1760 12 F 4.0489 8.0977 120.8392 61.2785 39.4957 177.1015 13 L 4.1277 8.2128 118.7218 57.7896 41.3431 179.6094 14 S 4.2304 8.1712 115.3425 61.7864 62.4825 175.8737 15 Y 4.1694 7.7799 121.7627 61.0277 37.9933 178.6781 16 K 4.3040 7.7131 119.8836 58.6027 31.9401 179.3886 17 L 4.0993 7.8401 119.6712 57.4858 41.5258 179.0948 18 S 4.8000 8.1732 114.2274 59.9797 63.0414 176.2425 19 Q 3.9759 7.4391 121.3856 58.8078 28.5687 177.7174 20 K 4.2038 7.1248 115.5876 56.9900 31.9996 177.7994 21 G 3.6889 7.4251 108.1643 45.3225 0.0000 172.8440 22 Y 4.9512 8.1778 119.1299 56.3684 40.5751 174.4584 23 S 4.9589 8.1731 112.9707 57.5504 65.5233 174.2251 24 W 4.3403 8.8897 131.7429 59.5113 31.0006 176.2019 25 S 4.7416 7.8137 110.1720 55.7956 66.1138 174.4081 26 Q 3.8052 8.5892 120.7066 59.3679 29.2022 177.5780 *83 M 4.2219 8.0843 115.9925 55.5087 33.9208 176.8571 84 A 4.0297 7.9850 119.7465 55.2822 18.1588 179.4225 85 A 3.9937 8.2874 119.3569 55.3981 18.5428 180.0801 86 V 3.7356 8.0945 116.8384 65.7502 31.3660 178.3937 87 K 3.8373 8.2136 118.5281 59.6436 31.9819 179.0968 88 Q 3.9819 7.8819 119.2752 59.1701 28.9290 178.1135 89 A 4.2171 7.8581 121.5493 54.9574 18.3840 179.3295 90 L 4.1947 8.1135 118.6464 57.9427 42.1147 179.3851 91 R 3.8773 7.6398 118.3783 59.4351 29.8485 178.7752 92 E 4.0504 8.3062 118.0390 59.2285 29.4128 179.2661 93 A 4.3403 8.4266 121.2037 55.3296 18.6901 179.5447 94 G 3.9654 8.3031 102.1710 46.3757 0.0000 174.7307 95 D 4.7619 8.1784 121.0314 55.9400 41.0364 177.9944 96 E 4.2112 7.9535 120.0094 58.5667 29.9627 177.7869 97 F 4.4591 8.6244 120.9073 61.7507 39.2431 176.8142 98 E 4.4182 8.0884 115.8247 58.6502 29.4999 178.3149 99 L 4.1200 7.3369 119.2334 58.8207 42.3515 178.3202 100 R 3.6104 7.3868 116.7433 58.5410 31.1287 177.2514 101 Y 4.2302 7.1517 119.6045 56.7944 36.8055 175.6046 102 R 3.9375 7.4066 124.8654 59.7011 31.0616 178.2140 103 R 4.1969 7.9564 111.6882 56.3962 29.6979 177.5609 104 A 4.0462 7.5336 123.0453 53.6741 18.8606 178.7222 105 F 5.1879 7.3177 114.4985 57.1194 39.2643 175.9925 106 S 4.4167 7.9976 117.1132 59.3787 64.5182 174.9419 107 D 4.8333 8.6363 123.9574 55.2142 37.8977 174.6863 108 L 4.1368 7.9121 123.6627 58.0324 42.1043 179.0900 109 T 3.8778 8.7861 116.4873 66.9703 68.2894 176.5090 110 S 4.2783 7.8872 113.9732 60.5103 63.4888 175.8046 111 Q 4.0353 7.7707 123.0590 59.1944 29.0264 177.4019 112 L 4.2504 8.3426 118.1446 55.0537 42.7756 175.9747 113 H 3.9581 8.2574 113.6852 56.2736 24.6805 175.4902 114 I 4.1366 8.1941 113.4813 60.5246 38.5926 175.7227 115 T 4.7970 8.1718 114.7087 58.5869 71.7158 172.9749 116 P 4.3055 0.0000 0.0000 65.7836 30.8724 177.7520 117 G 3.7330 7.5411 107.1589 48.2633 0.0000 174.7942 118 T 4.0568 8.2792 109.6143 62.0954 68.8041 175.8459 119 A 4.0508 8.0690 124.7881 56.1016 18.4007 178.9047 120 Y 2.4881 7.8208 115.9887 60.4094 38.9597 178.4805 121 Q 3.9776 8.0755 118.2513 59.2577 28.9069 179.0843 122 S 4.1219 8.0142 115.9613 61.3643 62.8975 176.2200 123 F 4.0960 8.3238 123.6028 62.2085 38.9081 176.1799 124 E 3.7554 8.1088 117.5965 59.1603 29.0132 178.8897 125 Q 3.8640 8.1621 117.0769 59.5131 29.0887 179.9423 126 V 3.2992 7.6151 118.7545 65.8000 31.0692 178.3113 127 V 3.3497 7.0581 117.2467 65.9455 31.2259 177.9060 128 N 4.4007 7.9446 114.9620 55.8578 38.5255 176.9006 129 E 3.9627 7.8219 120.7917 59.1133 29.5595 178.2242 130 L 3.6457 7.0419 119.1500 57.2398 42.2947 178.1053 131 F 5.1419 7.2458 117.6657 56.3261 40.0348 177.0642 132 R 4.1336 7.9959 121.0954 58.2806 30.3383 176.0717 133 D 4.8296 7.8830 116.7868 53.3972 39.6278 174.2921 134 G 3.6407 8.2827 105.4030 45.4375 0.0000 173.1631 135 V 4.2336 7.1842 117.1362 60.5090 34.5643 174.3955 136 N 3.8764 7.1032 118.0421 50.5819 40.5927 175.4372 137 W 4.6733 8.5280 121.0754 58.9282 29.1767 178.7908 138 G 3.8868 8.2583 106.0935 47.6753 0.0000 176.1805 139 R 3.8476 9.0345 121.3100 58.6913 30.1229 179.0079 140 I 3.8757 8.0460 120.0036 64.6758 37.1341 178.6259 141 V 3.8177 7.6215 117.2903 65.8571 31.2867 177.7896 142 A 3.1752 7.6578 120.5352 54.7864 18.0234 179.0183 143 F 4.0495 8.7778 119.4479 61.9091 39.3827 177.5938 144 F 4.0532 8.1789 116.6705 60.6226 38.7362 177.8918 145 S 4.1948 8.3911 114.7283 60.8307 62.5640 176.5755 146 F 4.2571 8.4892 124.0503 61.2573 39.1911 177.3345 147 G 3.4605 7.5996 105.5897 47.5391 0.0000 175.6454 148 G 3.5179 7.9274 107.9198 47.6698 0.0000 175.7326 149 A 3.9037 7.9950 124.1621 54.1690 18.1394 179.4145 150 L 3.8503 7.8088 119.5666 57.9986 42.0869 178.8289 151 C 4.0068 8.1659 117.2344 62.8045 28.1840 176.2815 152 V 3.5311 7.7174 119.6752 65.8030 30.9017 177.3445 153 E 3.8935 7.7253 117.6638 59.7213 29.7014 178.5153 154 S 4.2074 8.2261 115.0256 61.9314 63.0356 176.5512 155 V 3.4981 7.8391 120.1929 66.6165 31.0279 177.5869 156 D 4.4579 7.7803 117.2892 56.9905 41.2576 177.6519 157 K 4.3721 8.0960 118.2795 56.7624 32.5297 179.5527 158 E 3.8536 7.9585 118.4585 58.0306 29.7000 175.6772 159 M 4.4155 8.2481 120.7160 54.3891 30.8737 177.4341 160 Q 3.9310 7.8464 120.0257 58.8393 30.1854 177.2678 161 V 3.6910 8.0987 117.7465 66.3685 31.4453 177.5159 162 L 4.1406 7.5890 117.0604 56.0622 41.2674 179.2349 163 V 3.4361 7.4519 120.0819 65.9492 31.3527 177.9794 164 S 4.0498 7.7504 113.2425 61.0356 63.0488 176.4116 165 R 3.5503 7.4388 121.5559 59.0817 29.9379 178.5584 166 I 2.3790 7.0967 119.5056 63.9115 37.0350 178.0494 167 A 3.8958 7.6866 121.2059 55.3130 17.9638 179.6762 168 A 3.8706 7.4685 118.8039 55.1659 18.5154 179.8846 169 W 4.4191 7.4068 117.0005 60.2032 29.1293 178.5575 170 M 4.6040 8.3068 118.4178 58.4607 30.9684 178.6051 171 A 4.1449 8.1276 120.8370 55.5868 18.5428 179.7449 172 T 3.9251 8.3806 114.4758 67.1193 68.5478 176.0058 173 Y 4.2957 8.2798 121.3275 61.0728 38.6654 177.9280 174 L 3.7589 8.0848 119.3579 58.1391 41.5924 179.0785 175 N 4.2419 7.8158 115.1614 56.5706 38.5769 177.0362 176 D 4.3854 7.4307 118.9824 56.9144 40.6786 177.1187 177 H 4.5440 7.8150 114.3001 55.8059 31.5840 175.7467 178 L 3.9065 7.1266 118.3163 56.3969 41.9112 178.1267 179 E 3.8883 8.4365 119.9338 59.0759 29.4339 177.2488 180 P 4.1632 0.0000 0.0000 65.3911 31.5671 178.3735 181 W 3.8866 7.4500 123.7245 60.2941 30.5397 177.9116 182 I 3.3449 7.8750 119.8131 64.6356 36.3473 178.5690 183 Q 4.0233 7.5852 116.7493 58.4672 28.5772 177.8957 184 E 4.2055 7.6293 117.4791 56.6734 30.3138 176.0701 185 N 4.6510 7.4481 116.2685 52.7048 39.2188 175.1526 186 G 4.4135 7.8442 106.5981 45.3356 0.0000 175.0605 187 G 3.8025 8.5830 108.5220 44.8120 0.0000 173.8799 188 W 4.4582 8.5045 116.8028 58.7621 28.6835 177.7249 189 D 4.4902 8.3492 117.8313 57.9273 40.8280 178.0249 190 T 3.9645 7.6082 114.3744 66.6459 68.5126 176.0006 191 F 3.4999 7.8299 121.8733 61.5286 38.7306 177.2427 192 V 3.5515 7.5916 116.4892 66.0287 30.9829 177.7101 193 E 3.9233 7.9019 117.2517 59.5362 29.4294 179.1785 194 L 3.8504 7.5332 116.7240 57.3891 42.0199 178.1468 195 Y 4.4249 7.3500 113.4630 57.3441 38.4880 176.1557 196 G 3.7574 7.2789 109.5707 45.2871 0.0000 173.9537 197 N 4.5568 8.5391 115.5404 53.7179 38.3397 174.6166 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 -4 G 8.35 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 -3 P 0.00 4.33 0.00 2.13 1.98 0.00 3.69 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 2.02 2.16 0.00 -2 L 8.60 3.98 0.00 1.62 1.61 0.91 0.88 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 -1 G 8.21 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 0 S 8.28 4.23 0.00 4.06 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 1 M 8.83 4.16 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 2 S 8.07 4.10 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.00 4.06 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 4 S 7.91 4.04 0.00 4.08 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 5 N 8.61 4.46 0.00 2.94 2.88 0.00 0.00 6.62 7.52 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 6 R 7.59 4.25 0.00 1.96 2.02 0.00 3.13 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 7 E 8.74 3.88 0.00 2.15 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 2.26 2.27 0.00 8 L 7.53 3.98 0.00 1.88 1.59 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.19 3.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 10 V 7.52 2.87 1.77 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 0.21 0.00 0.00 0.47 0.00 0.00 11 D 7.77 4.20 0.00 2.79 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 12 F 8.10 4.05 0.00 3.14 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 13 L 8.21 4.13 0.00 1.59 1.80 1.01 0.85 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 14 S 8.17 4.23 0.00 3.83 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 15 Y 7.78 4.17 0.00 3.01 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 16 K 7.71 4.30 0.00 1.92 1.78 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.55 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.93 1.21 7.81 17 L 7.84 4.10 0.00 2.03 1.92 1.16 0.79 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 18 S 8.17 4.80 0.00 3.98 4.10 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 19 Q 7.44 3.98 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 20 K 7.12 4.20 0.00 1.47 1.74 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.69 7.81 21 G 7.43 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 0.00 0.00 0.00 22 Y 8.18 4.95 0.00 3.05 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 23 S 8.17 4.96 0.00 4.02 3.85 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 24 W 8.89 4.34 0.00 3.44 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.81 4.74 0.00 4.03 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 26 Q 8.59 3.81 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 *83 M 8.08 4.22 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 84 A 7.98 4.03 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.99 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 86 V 8.09 3.74 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 0.81 0.00 0.00 1.11 0.00 0.00 87 K 8.21 3.84 0.00 1.98 1.81 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.57 7.81 88 Q 7.88 3.98 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 89 A 7.86 4.22 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 90 L 8.11 4.19 0.00 2.00 1.86 0.75 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.64 3.88 0.00 2.13 1.98 0.00 3.21 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 92 E 8.31 4.05 0.00 2.08 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 2.49 0.00 93 A 8.43 4.34 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.30 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 0.00 0.00 0.00 95 D 8.18 4.76 0.00 3.03 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 96 E 7.95 4.21 0.00 2.26 2.29 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 2.42 2.39 0.00 97 F 8.62 4.46 0.00 3.30 3.33 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 98 E 8.09 4.42 0.00 2.45 2.42 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 2.46 2.52 0.00 99 L 7.34 4.12 0.00 1.94 1.68 0.93 0.95 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 0.00 100 R 7.39 3.61 0.00 0.88 0.66 0.00 3.17 0.00 0.00 2.97 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 101 Y 7.15 4.23 0.00 2.54 2.57 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 0.00 102 R 7.41 3.94 0.00 1.84 1.84 0.00 3.26 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 103 R 7.96 4.20 0.00 1.78 1.91 0.00 3.45 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 104 A 7.53 4.05 0.76 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 0.00 105 F 7.32 5.19 0.00 3.13 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 0.00 106 S 8.00 4.42 0.00 3.90 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 0.00 107 D 8.64 4.83 0.00 2.80 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 0.00 108 L 7.91 4.14 0.00 1.91 1.88 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.79 3.88 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 1.23 0.00 0.00 110 S 7.89 4.28 0.00 3.98 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 0.00 111 Q 7.77 4.04 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 112 L 8.34 4.25 0.00 1.83 1.80 1.13 1.19 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 0.00 113 H 8.26 3.96 0.00 3.35 3.50 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.19 4.14 1.96 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 1.40 0.58 1.00 0.00 0.00 115 T 8.17 4.80 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 1.31 0.00 0.00 116 P 0.00 4.31 0.00 2.11 2.23 0.00 3.72 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 2.06 2.14 0.00 117 G 7.54 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 0.00 0.00 0.00 118 T 8.28 4.06 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 1.24 0.00 0.00 119 A 8.07 4.05 1.71 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 0.00 120 Y 7.82 2.49 0.00 2.64 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 0.00 121 Q 8.08 3.98 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 122 S 8.01 4.12 0.00 4.05 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 0.00 123 F 8.32 4.10 0.00 3.17 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 0.00 124 E 8.11 3.76 0.00 2.13 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 1.96 2.31 0.00 125 Q 8.16 3.86 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 126 V 7.62 3.30 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 -0.19 0.00 0.00 0.80 0.00 0.00 127 V 7.06 3.35 1.81 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 0.31 0.00 0.00 0.36 0.00 0.00 128 N 7.94 4.40 0.00 2.64 2.84 0.00 0.00 7.06 8.42 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 0.00 129 E 7.82 3.96 0.00 2.03 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 2.18 2.22 0.00 130 L 7.04 3.65 0.00 1.22 1.37 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.25 5.14 0.00 3.04 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 0.00 132 R 8.00 4.13 0.00 1.80 1.94 0.00 3.17 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 133 D 7.88 4.83 0.00 2.74 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 0.00 134 G 8.28 3.64 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 0.00 0.00 0.00 135 V 7.18 4.23 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.26 0.00 0.00 136 N 7.10 3.88 0.00 3.03 2.80 0.00 0.00 5.94 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 0.00 137 W 8.53 4.67 0.00 3.93 3.51 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 0.00 138 G 8.26 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 0.00 139 R 9.03 3.85 0.00 1.83 1.42 0.00 3.03 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 140 I 8.05 3.88 1.97 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.85 1.15 0.00 0.00 141 V 7.62 3.82 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 0.97 0.00 0.00 1.14 0.00 0.00 142 A 7.66 3.18 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 0.00 143 F 8.78 4.05 0.00 3.26 3.33 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 0.00 144 F 8.18 4.05 0.00 3.40 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 0.00 145 S 8.39 4.19 0.00 4.02 3.85 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 0.00 146 F 8.49 4.26 0.00 3.10 3.16 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 0.00 147 G 7.60 3.46 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 0.00 148 G 7.93 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 0.00 0.00 0.00 149 A 7.99 3.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.85 0.00 1.30 1.48 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.17 4.01 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.72 3.53 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 0.98 0.00 0.00 0.94 0.00 0.00 153 E 7.73 3.89 0.00 2.19 2.13 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 2.35 2.39 0.00 154 S 8.23 4.21 0.00 4.05 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 0.00 155 V 7.84 3.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.92 0.00 0.00 156 D 7.78 4.46 0.00 2.72 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 0.00 157 K 8.10 4.37 0.00 1.94 1.81 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.76 7.81 158 E 7.96 3.85 0.00 2.16 2.10 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 2.24 2.41 0.00 159 M 8.25 4.42 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.49 0.00 160 Q 7.85 3.93 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 161 V 8.10 3.69 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 0.93 0.00 0.00 0.93 0.00 0.00 162 L 7.59 4.14 0.00 1.69 1.62 0.98 0.85 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 0.00 163 V 7.45 3.44 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 0.96 0.00 0.00 0.88 0.00 0.00 164 S 7.75 4.05 0.00 3.95 3.90 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 0.00 0.00 0.00 165 R 7.44 3.55 0.00 1.33 1.22 0.00 3.07 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 166 I 7.10 2.38 1.66 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 1.21 0.52 0.83 0.00 0.00 167 A 7.69 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 0.00 168 A 7.47 3.87 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 0.00 169 W 7.41 4.42 0.00 2.47 2.62 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 0.00 0.00 0.00 0.00 170 M 8.31 4.60 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.49 0.00 171 A 8.13 4.14 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 0.00 172 T 8.38 3.93 4.47 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 1.34 0.00 0.00 173 Y 8.28 4.30 0.00 3.37 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.08 3.76 0.00 2.12 1.80 1.22 0.61 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 0.00 175 N 7.82 4.24 0.00 2.85 2.93 0.00 0.00 7.22 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 0.00 176 D 7.43 4.39 0.00 2.56 2.45 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 0.00 177 H 7.82 4.54 0.00 2.25 2.93 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.13 3.91 0.00 1.25 1.30 -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.44 3.89 0.00 2.19 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 2.45 0.00 180 P 0.00 4.16 0.00 2.14 2.03 0.00 3.55 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 181 W 7.45 3.89 0.00 3.18 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 0.00 182 I 7.88 3.34 1.68 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.28 0.23 0.00 0.00 183 Q 7.59 4.02 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 184 E 7.63 4.21 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 185 N 7.45 4.65 0.00 1.44 1.87 0.00 0.00 7.22 7.16 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 0.00 186 G 7.84 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 0.00 0.00 0.00 0.00 187 G 8.58 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 0.00 188 W 8.50 4.46 0.00 3.52 3.34 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 0.00 189 D 8.35 4.49 0.00 2.79 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 0.00 190 T 7.61 3.96 4.29 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 1.29 0.00 0.00 191 F 7.83 3.50 0.00 1.88 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 0.00 192 V 7.59 3.55 2.29 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 0.99 0.00 0.00 1.05 0.00 0.00 193 E 7.90 3.92 0.00 2.16 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 2.34 0.00 194 L 7.53 3.85 0.00 1.03 1.02 0.99 0.74 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 0.00 195 Y 7.35 4.42 0.00 2.03 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 0.00 196 G 7.28 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 0.00 197 N 8.54 4.56 0.00 2.82 2.81 0.00 0.00 6.67 7.56 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 * Residues marked with a * may have inaccurate shift predictions.