NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5675 8.3881 119.7253 54.5715 32.9285 172.5425 2 K 4.2319 7.8393 122.4976 53.7612 34.4137 174.6512 3 E 3.8152 9.9930 124.3616 58.6924 29.4356 182.9250 4 V 4.0709 9.3178 104.9543 61.3218 29.5266 173.5705 5 A 4.8073 7.5482 135.0000 51.0760 20.0407 179.9390 6 V 4.1422 8.1025 121.2725 64.0866 34.3505 173.3460 7 Y 4.2605 8.5907 130.7440 59.5806 39.6913 175.1629 8 Q 4.3079 8.8396 113.1162 56.9341 30.6224 174.7265 9 I 4.2886 8.6688 129.4834 60.5121 34.9210 172.8376 10 P 4.3345 0.0000 0.0000 65.4675 32.3431 177.1872 11 V 4.4503 6.9579 117.6482 62.5851 30.9419 178.4104 12 L 4.1532 8.7408 117.3919 55.6583 41.1638 176.8144 13 S 4.2063 7.3233 116.0130 58.8294 63.9022 173.6555 14 P 4.7629 0.0000 0.0000 62.8496 34.1832 176.2619 15 S 4.8596 8.7021 116.4679 56.5224 62.4901 177.3548 16 G 3.6443 8.7386 122.7575 44.2947 0.0000 173.2960 17 R 4.3772 7.0764 121.2687 55.5310 32.3319 173.2111 18 R 4.8565 8.0018 122.8865 56.3381 33.6103 173.9138 19 E 5.1533 8.5621 113.5603 58.4101 32.5522 175.6818 20 L 4.3250 9.6725 119.0711 54.8475 43.7096 174.5631 21 A 4.3579 7.7395 119.0752 50.0471 21.0112 180.1564 22 A 4.2106 8.7189 119.6830 55.8909 18.6188 178.5525 23 D 4.4884 8.1965 114.8217 55.4675 39.5805 176.2963 24 L 4.5805 7.5448 119.0858 52.7873 43.5034 174.9271 25 P 4.1867 0.0000 0.0000 62.9000 28.9126 175.3430 26 A 5.2102 7.8785 127.8367 50.6755 21.3392 176.2281 27 E 4.3954 8.6336 117.2658 55.1942 29.2707 175.7619 28 I 4.0356 8.1726 118.2904 60.0945 38.8713 175.5908 29 N 4.8074 8.4564 123.2106 50.7394 38.8805 172.5476 30 P 4.3134 0.0000 0.0000 65.9989 31.6813 177.3566 31 H 4.1644 8.3985 116.1212 59.2731 29.5739 176.7457 32 L 4.1441 8.2621 122.1372 57.6274 41.7464 178.4962 33 L 4.0389 7.9443 120.1215 57.8163 41.9718 178.3224 34 W 4.3162 8.6444 128.5652 60.8164 30.6320 177.5992 35 E 3.3085 8.4962 118.0304 59.3531 28.4901 179.8499 36 V 3.6462 7.6309 118.0132 65.9630 31.5737 178.2278 37 V 3.5622 7.4249 117.8599 65.9465 31.4780 177.5769 38 R 3.5849 7.6296 118.6593 59.5088 29.4592 177.8931 39 W 4.0402 7.9975 128.0017 59.8110 30.8200 177.1251 40 Q 3.3144 9.0930 119.8904 59.1337 28.5496 179.1076 41 L 3.8359 8.1991 119.6742 57.1092 41.6677 179.8201 42 A 4.1665 7.4181 117.4980 52.3956 17.4634 177.9327 43 K 4.3776 7.8602 116.4657 57.7549 33.2904 176.6724 44 R 4.3219 7.3688 114.4790 55.7723 30.4205 176.2947 45 R 3.9365 7.5628 118.9317 56.7882 30.5723 176.0203 46 R 4.3825 8.3714 120.2337 55.9377 31.7179 177.0280 47 G 4.1731 8.0440 106.6693 46.6347 0.0000 175.6406 48 T 3.9099 7.5976 112.2189 62.6620 69.4152 174.7594 49 A 3.9418 8.0372 124.8100 53.0629 18.5429 176.4812 50 S 4.8490 8.6189 115.5490 55.9946 66.0222 172.3367 51 T 4.7355 8.0182 113.0391 60.8102 72.6562 171.6998 52 K 5.0135 8.4391 119.5795 54.8722 35.1491 176.5605 53 T 4.5917 10.3427 120.2043 61.1970 68.6531 175.2767 54 R 3.8856 8.7932 124.6283 58.1446 30.0927 176.6796 55 G 4.0995 7.7655 102.7972 45.8725 0.0000 173.5438 56 E 4.2478 8.2435 118.5221 57.2903 30.1147 177.2155 57 V 3.6789 7.6967 118.0043 63.2208 32.4982 175.8317 58 A 4.6091 8.4177 128.8191 52.0175 18.2558 175.5785 59 Y 4.5559 7.4957 118.4803 55.7644 41.4990 176.3636 60 S 4.4057 8.4509 115.8138 58.2976 63.1899 173.6058 61 G 4.0203 8.3175 111.4601 45.1983 0.0000 173.9672 62 R 3.9893 7.5271 121.1137 55.2075 30.6418 176.2059 63 K 4.0942 8.3799 125.5446 56.6529 32.8311 176.4748 64 I 3.8664 8.4119 124.9452 63.0072 38.3888 175.7327 65 W 5.3996 7.5419 117.6496 54.7604 33.2390 173.8446 66 P 4.1530 0.0000 0.0000 64.2256 31.0104 178.4510 67 Q 4.1276 8.3784 118.5306 55.9153 30.9713 173.5490 68 K 4.5066 7.4243 113.9329 56.2684 31.3105 178.4776 69 H 4.5302 8.8432 110.3676 55.8145 27.6866 175.9411 70 T 4.0425 9.2459 112.8604 62.3191 69.2631 176.0731 71 G 4.0793 8.2814 110.3093 45.7093 0.0000 175.5254 72 R 4.2376 7.1212 121.3848 55.9015 30.1915 175.2691 73 A 4.8841 8.9318 125.0637 50.6008 21.5889 176.3226 74 R 3.9381 8.5027 117.0028 57.4168 29.5628 175.4202 75 H 4.8210 8.4066 116.9603 54.9814 33.4611 174.9678 76 G 3.9343 9.0552 106.9128 46.5791 0.0000 175.5884 77 D 5.3719 9.2336 122.0069 50.0904 42.3324 177.6506 78 I 2.7020 7.9707 111.0679 61.6215 37.3484 176.9394 79 G 3.4505 7.8995 111.6003 47.5315 0.0000 173.8804 80 A 4.1070 7.9002 122.6707 50.8389 19.2385 175.6110 81 P 5.4545 0.0000 0.0000 62.7591 31.3401 176.7777 82 I 4.4596 7.5587 108.8732 61.3262 38.3150 175.1645 83 F 4.6011 8.0761 118.6598 57.3199 40.8445 178.5891 84 V 3.2552 8.5872 123.5153 63.6523 30.3772 173.8353 85 G 3.8778 9.6591 109.1881 47.4646 0.0000 174.5312 86 G 3.6528 7.7993 107.2688 46.0136 0.0000 173.4426 87 G 4.2251 8.7724 107.2575 45.2323 0.0000 173.9565 88 V 4.1215 8.0000 122.0445 62.1949 32.4533 174.9581 89 V 3.4339 8.7901 123.6265 64.3656 30.5603 178.3292 90 F 4.7160 8.9500 114.8629 55.9995 38.2037 175.3383 91 G 4.3180 7.9937 110.3882 43.5062 0.0000 169.8133 92 P 4.2608 0.0000 0.0000 63.1186 31.5189 175.1322 93 K 4.6125 8.4223 121.9385 53.3482 34.1637 172.5274 94 P 5.2690 0.0000 0.0000 62.2934 31.0375 174.9651 95 R 4.6096 8.2565 122.0578 54.5862 32.7143 174.1217 96 D 4.8102 8.3081 118.1839 53.2473 42.1248 175.4167 97 Y 4.3714 8.5969 121.5911 58.9186 39.7099 176.6503 98 S 4.3041 7.9780 113.1937 59.0559 63.3713 173.6444 99 Y 4.5405 8.0752 116.5892 56.2954 39.3469 173.6625 100 T 3.9865 8.7557 116.2592 61.5476 68.6049 173.5315 101 L 3.9928 7.1686 128.5315 52.9209 43.0733 174.6427 102 P 4.0090 0.0000 0.0000 62.9617 32.1056 177.3248 103 K 3.7324 8.7244 123.1229 59.3959 31.8973 179.3962 104 K 4.0348 7.8091 118.3931 59.3721 32.1183 179.3711 105 V 3.5921 7.4990 118.0484 65.9678 31.3792 178.1138 106 R 3.9064 8.2617 118.0734 58.7637 29.4054 178.5040 107 K 4.0364 7.4991 117.4779 58.2963 31.9148 178.8742 108 K 4.0789 8.1662 118.5412 59.8244 32.1320 179.2475 109 G 3.6956 7.9176 105.0422 47.7529 0.0000 174.9845 110 L 3.9518 7.5954 123.4881 57.9829 42.0137 178.7753 111 A 4.4680 9.1366 121.1665 55.4562 18.4012 178.9037 112 M 3.9598 9.5033 116.3635 59.3105 32.2540 178.0612 113 A 4.0559 8.8274 120.8887 55.3541 18.5347 179.6184 114 V 3.5829 8.1983 114.8008 66.0953 31.8561 178.2787 115 A 4.0990 8.5835 120.8135 55.3021 18.1800 179.2424 116 D 4.2277 8.2370 116.3469 57.7062 41.4879 178.3010 117 R 4.7639 8.3517 120.2750 58.7084 29.7897 178.3874 118 A 3.9426 8.1688 120.5365 55.1839 18.3702 179.5464 119 R 3.8803 7.8441 115.1758 58.7153 30.4191 177.3667 120 E 4.4269 8.1605 116.7821 56.2148 29.7844 177.4854 121 G 4.0211 8.6492 108.0674 45.1561 0.0000 174.5791 122 K 4.2248 7.7762 118.4522 58.4888 33.0066 177.6244 123 L 4.0198 7.6709 121.7677 55.8520 42.7177 177.0516 124 L 4.3794 8.3800 126.5409 54.1771 45.1317 174.1012 125 L 4.6378 8.1441 127.7705 54.5570 42.4582 177.1772 126 V 4.5906 7.6680 116.9727 62.6542 34.4414 173.7277 127 E 4.7469 8.2356 127.7240 57.8093 31.7240 177.8374 128 A 4.4371 7.8382 122.2574 51.9181 18.1968 179.8384 129 F 4.3265 7.3225 120.4228 57.8321 36.8712 175.6574 130 A 4.2309 8.7315 127.2221 55.1162 18.8511 180.0149 131 G 4.4945 7.9422 105.4826 44.0108 0.0000 174.2398 132 V 3.6710 8.8350 124.2582 63.9836 30.9094 178.1798 133 N 3.9226 8.6415 114.7799 49.0121 41.7103 175.5438 134 G 3.6032 8.4027 108.3652 47.0318 0.0000 173.4876 135 K 3.8876 7.5546 120.7793 56.7313 31.9035 176.8724 136 T 3.8389 8.5633 122.5703 65.0072 67.8148 176.0251 137 K 3.9875 8.3203 120.5377 59.5765 31.9264 178.4780 138 E 4.0084 7.9917 118.8430 59.6563 29.4284 179.0634 139 F 4.0520 8.2534 120.3064 61.5772 39.1488 177.0818 140 L 4.2436 7.9717 117.0298 57.7315 41.5106 179.3300 141 A 4.1629 8.0287 120.2979 54.8073 18.1861 179.0730 142 W 3.9998 8.3590 126.2498 60.9091 30.6701 177.6858 143 A 4.0132 8.2998 120.3807 55.5647 17.7650 178.6119 144 K 3.7030 7.9458 117.5949 59.8490 32.8682 177.9414 145 E 4.4705 7.6985 120.4557 55.0816 27.8032 176.6241 146 A 4.0427 7.4206 120.8456 51.7888 23.8213 177.6833 147 G 3.9343 8.3058 103.5140 45.1857 0.0000 174.2917 148 L 4.4271 7.7136 120.7183 53.3770 40.9069 176.1936 149 D 4.3165 8.6751 122.8202 54.4908 40.1223 178.7977 150 G 2.8008 6.7339 119.5229 45.0738 0.0000 173.3372 151 S 4.0116 7.6149 116.2567 60.8675 62.7695 173.9200 152 E 4.1397 7.7749 119.5700 56.5239 29.9393 176.8602 153 S 4.8545 9.4458 120.0530 57.7641 63.8427 173.9861 154 V 4.2747 9.9248 126.6651 62.3762 32.6912 175.0454 155 L 5.0218 8.2961 127.4217 53.0665 41.1512 175.1034 156 L 4.4123 7.8230 123.8368 55.5102 43.6477 176.2718 157 V 4.5740 9.4514 124.4656 60.8113 35.5357 174.2089 158 T 4.4086 7.5332 117.6651 61.5535 68.7007 172.2171 159 G 4.0238 8.0971 109.8627 44.7411 0.0000 173.6163 160 N 4.5786 8.6049 120.1041 52.0748 38.4530 174.7971 161 E 3.8657 8.6628 128.0870 58.7556 29.3969 179.1183 162 L 3.9565 7.5810 117.9572 57.5568 42.2616 178.9552 163 V 3.4372 7.4904 115.5656 65.5780 31.5497 177.0969 164 R 3.8383 8.1780 119.7078 58.6429 29.7815 178.0691 165 R 3.9232 8.4337 120.1659 57.6642 31.7492 176.8695 166 A 4.5145 7.3484 120.6012 47.9012 18.6346 174.7938 167 A 4.0305 7.3272 133.5832 51.9920 20.7935 179.2576 168 R 3.6917 8.0445 114.7518 59.6811 30.0081 177.6339 169 N 4.2933 7.7993 113.5573 55.4514 39.3196 174.7567 170 L 4.0196 7.5274 119.7531 53.9016 41.9887 175.8068 171 P 4.1719 0.0000 0.0000 65.3966 31.5131 176.9506 172 W 4.8399 7.8618 112.7783 56.1727 29.4316 175.6476 173 V 4.4015 7.3777 120.4356 61.2069 33.0714 176.0070 174 V 4.2762 7.6459 126.6642 60.1979 30.6635 173.3817 175 T 3.7059 7.8764 115.9991 61.8659 67.5951 171.6326 176 L 4.8036 8.2407 133.2128 53.7734 45.2678 176.5740 177 A 5.1744 9.1030 118.3745 51.0040 20.6354 174.5763 178 P 3.9173 0.0000 0.0000 65.8165 32.3995 178.2462 179 E 3.8396 8.1995 121.0379 58.5830 29.9056 179.5812 180 G 3.6697 7.9548 105.6783 47.9689 0.0000 173.5355 181 L 3.7908 7.5455 121.0493 54.7443 42.9531 175.7879 182 N 4.8116 8.3643 120.0185 50.7489 39.7489 175.7954 183 V 3.7635 8.4254 113.3131 65.4162 31.5473 177.0182 184 Y 4.2883 9.8148 120.7374 60.1982 38.2488 177.3494 185 D 4.3879 9.0157 120.0239 57.9279 41.1088 179.3497 186 I 3.7842 7.3701 119.0652 64.4466 37.2879 178.3807 187 V 3.7362 7.9685 118.9574 65.5850 31.4380 177.8625 188 R 3.8763 8.1342 118.7576 58.6392 30.0866 176.8597 189 T 4.3302 6.9889 106.5777 60.9219 69.6762 173.2660 190 E 4.3201 7.9430 120.8099 57.1554 29.4897 176.2329 191 R 4.5219 7.7850 118.0531 55.1856 32.5235 174.5426 192 L 5.0393 8.4715 127.7320 53.9684 44.9077 175.5714 193 V 4.9734 8.6622 125.3400 62.4641 34.7107 172.8676 194 M 5.2386 8.6982 124.8620 53.2677 34.0813 175.8904 195 D 4.9581 8.6497 118.8103 54.8534 41.5704 176.7390 196 L 4.0630 8.3835 118.5300 58.0839 41.9119 178.7691 197 D 4.9257 8.3115 119.4291 56.1397 39.2777 178.0393 198 A 4.2842 8.1552 119.8064 53.3083 18.5355 178.0867 199 W 4.5923 7.5534 124.1404 59.4296 31.5779 177.8548 200 E 3.5244 8.9578 119.1100 59.2628 28.7844 179.7316 201 V 3.6865 8.4842 119.2953 64.3553 31.1273 178.2900 202 F 3.9189 8.0208 121.5408 61.5855 39.3675 176.4786 203 Q 3.9859 7.7320 117.4945 58.3177 28.2825 177.7570 204 N 3.4874 8.0230 120.4527 56.4989 39.2169 175.6857 205 R 4.3381 7.4007 115.5287 56.0452 30.1877 176.0635 206 I 4.4636 8.5621 108.5618 60.7008 38.9124 176.3476 207 G 3.7258 7.8210 111.2968 43.9814 0.0000 174.1065 *208 G 3.7078 8.1641 113.5110 45.8738 0.0000 170.4165 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 1 M 8.39 4.57 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 2 K 7.84 4.23 0.00 1.94 1.92 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.44 7.81 3 E 9.99 3.82 0.00 2.07 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 0.00 2.33 2.54 0.00 4 V 9.32 4.07 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 0.78 0.00 0.00 0.92 0.00 0.00 5 A 7.55 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.10 4.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.91 0.00 0.00 7 Y 8.59 4.26 0.00 2.94 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 8 Q 8.84 4.31 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.50 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 9 I 8.67 4.29 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.92 0.96 0.00 0.00 10 P 0.00 4.33 0.00 2.16 1.94 0.00 4.03 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.40 0.00 11 V 6.96 4.45 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 1.00 0.00 0.00 0.95 0.00 0.00 12 L 8.74 4.15 0.00 1.68 1.70 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.32 4.21 0.00 3.93 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 14 P 0.00 4.76 0.00 2.06 1.93 0.00 3.58 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 2.09 2.07 0.00 15 S 8.70 4.86 0.00 3.88 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 16 G 8.74 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 17 R 7.08 4.38 0.00 1.62 1.62 0.00 3.12 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 18 R 8.00 4.86 0.00 1.62 1.49 0.00 3.24 0.00 0.00 2.82 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 19 E 8.56 5.15 0.00 2.22 1.84 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 2.06 2.01 0.00 20 L 9.67 4.32 0.00 1.83 2.62 0.99 1.05 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 21 A 7.74 4.36 1.20 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 0.00 0.00 22 A 8.72 4.21 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 23 D 8.20 4.49 0.00 2.85 2.90 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 24 L 7.54 4.58 0.00 2.13 1.69 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.19 0.00 2.33 1.98 0.00 3.68 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 2.25 2.28 0.00 26 A 7.88 5.21 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 27 E 8.63 4.40 0.00 1.99 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 0.00 2.28 2.30 0.00 28 I 8.17 4.04 1.92 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 1.34 0.45 0.99 0.00 0.00 29 N 8.46 4.81 0.00 2.83 2.79 0.00 0.00 7.17 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 4.31 0.00 2.24 2.18 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 31 H 8.40 4.16 0.00 3.26 3.39 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.26 4.14 0.00 1.86 1.82 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.94 4.04 0.00 1.96 1.85 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.64 4.32 0.00 3.43 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 35 E 8.50 3.31 0.00 2.15 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 2.52 2.92 0.00 36 V 7.63 3.65 2.32 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 1.10 0.00 0.00 1.00 0.00 0.00 37 V 7.42 3.56 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 1.12 0.00 0.00 1.08 0.00 0.00 38 R 7.63 3.58 0.00 0.90 1.19 0.00 2.93 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 39 W 8.00 4.04 0.00 3.23 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 40 Q 9.09 3.31 0.00 2.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 41 L 8.20 3.84 0.00 1.63 1.41 0.73 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.42 4.17 1.23 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 0.00 0.00 0.00 43 K 7.86 4.38 0.00 1.42 1.27 0.00 0.61 0.00 0.00 0.78 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.39 0.84 7.81 44 R 7.37 4.32 0.00 1.77 1.84 0.00 2.88 0.00 0.00 2.88 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 0.00 45 R 7.56 3.94 0.00 1.55 1.73 0.00 2.67 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 46 R 8.37 4.38 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 47 G 8.04 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 0.00 0.00 0.00 0.00 48 T 7.60 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 49 A 8.04 3.94 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 50 S 8.62 4.85 0.00 3.79 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 51 T 8.02 4.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 K 8.44 5.01 0.00 1.71 1.73 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 53 T 10.34 4.59 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 54 R 8.79 3.89 0.00 1.72 1.90 0.00 3.35 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 55 G 7.77 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 0.00 0.00 0.00 56 E 8.24 4.25 0.00 2.04 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 2.31 2.24 0.00 57 V 7.70 3.68 2.11 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 0.98 0.00 0.00 1.00 0.00 0.00 58 A 8.42 4.61 1.23 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 0.00 0.00 0.00 59 Y 7.50 4.56 0.00 2.80 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 60 S 8.45 4.41 0.00 3.82 3.75 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 61 G 8.32 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 62 R 7.53 3.99 0.00 1.81 1.78 0.00 3.11 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 63 K 8.38 4.09 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.35 7.81 64 I 8.41 3.87 1.54 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 -0.22 0.00 0.00 65 W 7.54 5.40 0.00 3.55 2.87 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 66 P 0.00 4.15 0.00 2.29 2.20 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 67 Q 8.38 4.13 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 68 K 7.42 4.51 0.00 1.83 0.74 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 0.76 7.81 69 H 8.84 4.53 0.00 3.16 3.35 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.25 4.04 4.06 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 1.25 0.00 0.00 71 G 8.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.12 4.24 0.00 1.52 1.65 0.00 3.05 0.00 0.00 2.89 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.00 73 A 8.93 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.50 3.94 0.00 1.90 2.01 0.00 3.00 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 75 H 8.41 4.82 0.00 2.22 2.88 0.00 5.66 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 76 G 9.06 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 77 D 9.23 5.37 0.00 2.86 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 78 I 7.97 2.70 1.28 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 0.27 0.00 0.00 79 G 7.90 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 80 A 7.90 4.11 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 81 P 0.00 5.45 0.00 2.11 2.09 0.00 3.28 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 82 I 7.56 4.46 1.72 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 1.14 0.25 0.84 0.00 0.00 83 F 8.08 4.60 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 84 V 8.59 3.26 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 1.05 0.00 0.00 0.95 0.00 0.00 85 G 9.66 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 86 G 7.80 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.77 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 0.00 0.00 0.00 0.00 88 V 8.00 4.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 89 V 8.79 3.43 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 0.36 0.00 0.00 0.85 0.00 0.00 90 F 8.95 4.72 0.00 3.14 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 91 G 7.99 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 0.00 0.00 0.00 0.00 92 P 0.00 4.26 0.00 2.27 2.28 0.00 3.69 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 2.11 2.05 0.00 93 K 8.42 4.61 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.35 7.81 94 P 0.00 5.27 0.00 2.07 2.17 0.00 3.33 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 95 R 8.26 4.61 0.00 1.56 1.83 0.00 2.63 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.00 96 D 8.31 4.81 0.00 2.65 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 97 Y 8.60 4.37 0.00 3.05 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 98 S 7.98 4.30 0.00 4.02 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 99 Y 8.08 4.54 0.00 3.17 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 0.00 100 T 8.76 3.99 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 1.26 0.00 0.00 101 L 7.17 3.99 0.00 0.70 0.13 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.01 0.00 2.09 1.96 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 103 K 8.72 3.73 0.00 1.70 1.79 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 104 K 7.81 4.03 0.00 1.74 1.81 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.44 7.81 105 V 7.50 3.59 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 1.03 0.00 0.00 0.89 0.00 0.00 106 R 8.26 3.91 0.00 1.86 1.81 0.00 2.30 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.42 0.00 107 K 7.50 4.04 0.00 1.95 1.72 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.49 7.81 108 K 8.17 4.08 0.00 1.79 1.92 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.65 7.81 109 G 7.92 3.70 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 0.00 0.00 0.00 110 L 7.60 3.95 0.00 1.74 1.78 0.05 1.03 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 0.00 111 A 9.14 4.47 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 0.00 112 M 9.50 3.96 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 113 A 8.83 4.06 1.49 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 0.00 0.00 114 V 8.20 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.18 0.00 0.00 115 A 8.58 4.10 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 0.00 0.00 0.00 0.00 0.00 116 D 8.24 4.23 0.00 2.87 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.35 4.76 0.00 2.03 2.10 0.00 3.58 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 118 A 8.17 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.84 3.88 0.00 1.95 2.16 0.00 3.27 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 120 E 8.16 4.43 0.00 2.26 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 2.29 2.53 0.00 121 G 8.65 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 0.00 122 K 7.78 4.22 0.00 1.82 1.92 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 123 L 7.67 4.02 0.00 1.73 1.61 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.38 4.38 0.00 1.84 1.65 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.14 4.64 0.00 1.54 1.35 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.67 4.59 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.82 0.00 0.00 127 E 8.24 4.75 0.00 1.67 1.72 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 1.88 2.03 0.00 128 A 7.84 4.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.32 4.33 0.00 2.96 2.69 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 0.00 130 A 8.73 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.94 4.49 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 0.00 0.00 0.00 132 V 8.83 3.67 2.11 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 0.80 0.00 0.00 0.94 0.00 0.00 133 N 8.64 3.92 0.00 3.19 2.72 0.00 0.00 6.71 8.09 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 0.00 134 G 8.40 3.60 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 0.00 135 K 7.55 3.89 0.00 1.95 1.90 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 136 T 8.56 3.84 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 1.20 0.00 0.00 137 K 8.32 3.99 0.00 1.88 1.92 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.58 7.81 138 E 7.99 4.01 0.00 2.13 2.09 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 2.38 2.49 0.00 139 F 8.25 4.05 0.00 3.18 3.23 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 0.00 140 L 7.97 4.24 0.00 2.05 1.89 1.27 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.03 4.16 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 142 W 8.36 4.00 0.00 3.41 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.30 4.01 1.64 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 0.00 144 K 7.95 3.70 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.48 7.81 145 E 7.70 4.47 0.00 1.57 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 2.39 2.31 0.00 146 A 7.42 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.31 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 0.00 148 L 7.71 4.43 0.00 2.03 2.19 1.40 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.68 4.32 0.00 2.58 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 0.00 150 G 6.73 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 0.00 0.00 0.00 151 S 7.61 4.01 0.00 3.75 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 0.00 152 E 7.77 4.14 0.00 2.04 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 2.33 2.28 0.00 153 S 9.45 4.85 0.00 3.99 4.16 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 0.00 154 V 9.92 4.27 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 1.08 0.00 0.00 1.50 0.00 0.00 155 L 8.30 5.02 0.00 1.84 1.70 0.94 0.49 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 0.00 156 L 7.82 4.41 0.00 1.85 1.45 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 157 V 9.45 4.57 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 0.89 0.00 0.00 1.11 0.00 0.00 158 T 7.53 4.41 4.53 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 1.12 0.00 0.00 159 G 8.10 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 0.00 160 N 8.60 4.58 0.00 2.78 2.68 0.00 0.00 7.14 7.69 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 0.00 161 E 8.66 3.87 0.00 2.01 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 2.38 2.41 0.00 162 L 7.58 3.96 0.00 1.54 1.81 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.49 3.44 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 -0.31 0.00 0.00 0.41 0.00 0.00 164 R 8.18 3.84 0.00 2.01 1.85 0.00 3.53 0.00 0.00 3.08 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 165 R 8.43 3.92 0.00 1.83 1.94 0.00 3.10 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 166 A 7.35 4.51 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 0.00 167 A 7.33 4.03 0.32 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 0.00 168 R 8.04 3.69 0.00 1.66 1.92 0.00 3.11 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 169 N 7.80 4.29 0.00 2.57 2.76 0.00 0.00 7.00 7.78 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 0.00 170 L 7.53 4.02 0.00 1.28 0.62 0.59 0.62 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 0.00 171 P 0.00 4.17 0.00 2.24 2.21 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 172 W 7.86 4.84 0.00 3.73 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 0.00 173 V 7.38 4.40 1.72 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 0.33 0.00 0.00 -0.36 0.00 0.00 174 V 7.65 4.28 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 0.76 0.00 0.00 0.93 0.00 0.00 175 T 7.88 3.71 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 1.09 0.00 0.00 176 L 8.24 4.80 0.00 1.74 1.32 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 177 A 9.10 5.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 3.92 0.00 2.25 2.25 0.00 3.92 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 2.10 2.08 0.00 179 E 8.20 3.84 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 180 G 7.95 3.67 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 0.00 0.00 0.00 181 L 7.55 3.79 0.00 1.71 1.58 1.04 1.13 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 0.00 182 N 8.36 4.81 0.00 3.16 2.96 0.00 0.00 6.26 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 0.00 183 V 8.43 3.76 2.17 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 0.86 0.00 0.00 1.10 0.00 0.00 184 Y 9.81 4.29 0.00 3.08 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 0.00 185 D 9.02 4.39 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.37 3.78 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.85 1.00 0.00 0.00 187 V 7.97 3.74 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 0.84 0.00 0.00 1.03 0.00 0.00 188 R 8.13 3.88 0.00 1.43 1.85 0.00 2.46 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.00 189 T 6.99 4.33 4.53 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 1.22 0.00 0.00 190 E 7.94 4.32 0.00 1.97 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 2.33 2.30 0.00 191 R 7.79 4.52 0.00 1.97 1.90 0.00 3.73 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 192 L 8.47 5.04 0.00 1.84 1.57 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.66 4.97 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 1.38 0.00 0.00 1.12 0.00 0.00 194 M 8.70 5.24 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.70 0.00 195 D 8.65 4.96 0.00 2.92 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 0.00 196 L 8.38 4.06 0.00 1.68 1.70 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 197 D 8.31 4.93 0.00 2.92 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 0.00 198 A 8.16 4.28 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 0.00 199 W 7.55 4.59 0.00 3.52 3.50 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 0.00 200 E 8.96 3.52 0.00 2.26 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 3.01 0.00 201 V 8.48 3.69 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 0.89 0.00 0.00 0.92 0.00 0.00 202 F 8.02 3.92 0.00 2.91 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 0.00 203 Q 7.73 3.99 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.52 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 204 N 8.02 3.49 0.00 2.64 2.99 0.00 0.00 7.26 7.69 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 0.00 205 R 7.40 4.34 0.00 1.81 1.80 0.00 3.18 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 206 I 8.56 4.46 1.82 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.56 0.00 0.00 207 G 7.82 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 *208 G 8.16 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 * Residues marked with a * may have inaccurate shift predictions.