NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2779 8.2644 123.5838 52.0787 20.0627 176.6410 2 T 4.0854 8.1314 113.4543 60.2512 69.5310 173.5149 3 L 3.9548 9.2786 127.6081 58.5682 42.4104 179.1202 4 K 4.0275 8.0460 117.6184 59.4297 31.9874 178.9487 5 D 4.3388 8.0513 118.6778 57.3846 40.8878 178.5764 6 I 3.7346 8.0217 120.4136 64.8018 37.2063 178.4430 7 T 3.7884 8.1949 116.4791 66.8695 68.3443 176.8421 8 R 3.9126 7.9715 119.7215 59.2127 30.0892 179.1351 9 R 3.8628 8.1640 118.5731 59.1888 30.1101 178.1156 10 L 3.8667 8.3801 120.4557 58.3132 42.1964 179.1500 11 K 3.9162 8.0243 118.2066 59.3605 31.9015 179.2617 12 S 4.0636 8.0675 113.3519 61.6510 62.3184 176.4277 13 I 3.7850 7.7574 122.3888 64.0075 36.7972 178.4910 14 K 3.9400 8.1107 119.5831 59.5244 31.9018 179.0635 15 N 4.3158 8.0569 116.2728 56.3825 38.4942 177.5004 16 I 3.6923 7.8990 121.2664 64.3060 37.1645 178.2126 17 Q 3.9499 8.4350 120.7219 59.2353 28.9369 178.5284 18 K 3.9638 7.9735 119.4050 59.5209 31.9868 179.5144 19 I 3.7542 7.7478 120.1547 64.5966 37.1026 178.6397 20 T 3.8867 8.0299 110.6973 64.4728 68.4942 176.4994 21 K 3.8925 8.2119 122.4940 59.5210 32.3002 178.9912 22 S 4.1456 8.0857 115.3898 61.9587 62.7875 176.5705 23 M 4.2035 8.4972 121.2512 57.4241 31.6866 178.7922 24 K 3.9462 8.0176 120.5263 59.8247 32.5435 178.7663 25 M 4.1150 7.9016 118.5880 58.1465 31.7754 178.9375 26 V 3.5563 7.9219 118.2492 66.1089 31.7861 178.0656 27 A 4.0121 8.1148 120.1711 54.9651 18.1205 179.5111 28 A 4.1009 8.0925 119.3933 55.3404 18.3373 179.7070 29 A 4.0495 8.0326 118.9521 54.9388 18.5257 180.0722 30 K 3.9400 8.3116 117.4280 59.5620 32.0354 179.0096 31 Y 4.0294 8.4828 120.1389 60.5986 38.8216 177.5913 32 A 3.4315 7.8081 121.7230 55.0565 18.3066 179.6852 33 R 3.6929 7.6172 116.7966 59.4803 30.1792 178.4964 34 A 3.8398 7.8183 120.5819 55.2434 18.0961 179.2537 35 E 3.6359 7.7084 116.8306 58.8991 29.7500 179.0529 36 R 4.0053 7.6036 117.8800 59.3823 30.1045 178.9315 37 E 4.0244 8.2972 118.2538 59.0463 29.3659 179.1746 38 L 4.0627 8.0796 120.8061 57.6503 41.5234 178.4434 39 K 3.8901 7.8707 120.0063 59.2862 32.0440 176.9613 40 P 4.3548 0.0000 0.0000 65.7988 31.3579 178.1724 41 A 4.2319 7.8439 119.1992 54.9114 18.2074 179.9039 42 R 4.1310 8.7174 117.3453 59.3787 30.1893 179.2461 43 V 3.6053 7.5654 117.2251 66.2118 31.5811 177.1176 44 Y 4.1464 8.4306 119.4625 61.0193 38.4424 178.5709 45 G 3.4541 8.6003 105.6189 47.6928 0.0000 175.4582 46 V 3.6248 7.9167 120.6638 65.4575 31.1071 178.4222 47 G 3.5404 8.0287 105.7568 47.6391 0.0000 175.4851 48 S 4.0381 7.5788 113.9958 60.2154 62.5809 175.3144 49 L 4.2169 7.4427 119.9504 55.8212 41.3911 178.4478 50 A 3.9922 7.3727 120.6063 54.8045 18.4724 179.0045 51 L 4.0003 7.7454 118.3652 58.8160 42.0145 178.8161 52 Y 4.7214 7.7039 114.1903 60.3110 37.9590 176.5595 53 E 4.7279 7.7005 118.3808 56.0128 29.9091 176.5611 54 K 4.6715 7.6190 113.6928 55.6085 34.1312 175.9577 55 A 4.5565 7.7085 120.6483 50.9108 21.8749 176.5828 56 D 4.5490 8.6900 122.7625 53.9411 40.2193 175.6731 57 I 4.3155 7.9411 124.9021 59.1066 40.0769 175.8534 58 K 4.7585 7.9686 124.2864 56.6265 33.5529 173.8409 59 T 4.1408 7.9759 124.8603 63.4536 70.4527 174.5630 *65 K 4.3776 8.5473 127.1846 57.8229 33.6707 174.3690 66 H 5.8496 9.7443 125.2204 53.0602 33.6170 171.9556 67 L 5.0259 8.1613 125.8025 53.4396 44.7162 174.7205 68 I 4.6806 8.5035 128.0626 59.9245 39.1621 174.8382 69 I 4.7030 8.8534 129.5513 59.6610 39.1030 174.9210 70 G 4.3762 8.9724 115.8272 44.7018 0.0000 172.0897 71 V 5.0871 8.8212 125.3041 60.7257 33.6911 173.5459 72 S 4.9523 9.2075 123.8702 58.1871 65.0938 177.0945 73 S 4.5771 8.8965 117.0698 58.1209 65.1904 173.3280 74 D 4.5687 8.5032 118.0728 55.5674 41.5100 177.5404 75 R 4.2672 7.7050 119.0973 55.0544 31.2675 177.8298 76 G 3.7583 8.5836 115.5078 47.0532 0.0000 173.2088 77 L 3.6751 8.4338 113.8652 56.0594 38.8292 174.5176 78 C 5.0071 6.9713 110.6387 57.8632 31.3567 175.7135 79 G 3.8493 7.9690 112.1419 48.5359 0.0000 174.4435 80 A 4.6731 8.4894 125.5373 52.2205 19.3146 179.2762 81 I 3.5107 7.5034 122.7287 66.2549 36.9597 177.9467 82 H 4.3961 7.9185 116.3114 58.4132 28.9360 177.6708 83 S 4.1512 8.0745 115.6114 61.6010 62.8159 176.2818 84 S 4.1275 8.1526 118.7198 61.5683 62.6558 176.9804 85 V 3.5797 7.4729 119.7105 66.0670 31.3474 177.9012 86 A 4.0145 8.2468 120.6300 55.1153 18.0232 179.5443 87 K 3.9206 8.5112 118.6152 59.5433 32.2342 178.6790 88 Q 4.0716 8.0602 119.0488 58.4753 29.1120 177.8716 89 M 4.0010 8.0666 120.4326 58.3007 32.0853 178.7989 90 K 3.9449 7.9797 118.9755 59.7714 32.7463 179.1885 91 S 4.0319 7.8268 114.4122 61.4026 61.9263 175.9986 92 E 4.0219 8.4269 120.7378 58.7536 28.9620 179.1098 93 A 3.9783 7.5862 120.1044 54.9415 18.5345 179.2192 94 A 4.1043 7.8459 118.1252 54.7864 18.5368 179.0766 95 N 4.4991 7.5131 113.6115 54.5927 38.9741 175.3045 96 L 4.3543 7.0722 119.1464 53.3171 43.4208 176.5908 *101 K 4.0747 8.2564 117.0352 55.8880 33.8449 175.3880 102 E 4.5166 7.9796 121.5846 54.8712 31.0245 174.5134 103 V 4.9177 8.4633 126.7634 61.0543 33.9910 174.6294 104 K 4.7177 9.0299 126.4410 54.5259 35.9241 175.0054 105 I 4.7136 8.6580 124.1178 59.4367 40.3077 174.4696 106 I 4.9463 8.9784 127.4878 59.4138 40.2055 174.7062 107 G 4.6110 8.9051 113.1510 44.3774 0.0000 172.0821 108 V 4.6936 9.1163 126.2622 62.8761 33.5927 175.9191 109 G 4.2436 9.0886 115.1947 45.4240 0.0000 173.4354 110 D 4.3311 9.6615 125.2331 57.0976 40.7690 178.2278 111 K 3.9748 7.8310 119.9045 58.8246 31.9006 178.9269 112 I 3.7788 7.7763 120.6041 64.5298 37.1598 178.2880 113 R 3.6869 7.9130 118.9862 59.2575 29.6522 178.5016 114 S 3.9692 7.6317 113.9863 61.6919 62.9126 176.4487 115 I 3.9635 7.3684 120.8880 63.7938 37.1340 177.7167 116 L 4.5420 7.9260 118.9588 56.1235 41.5895 178.3602 117 H 4.1613 8.2195 115.7905 59.1702 27.9450 177.7946 118 R 3.7727 7.7598 118.8884 58.1639 29.9397 177.6958 119 T 4.4146 7.8543 110.7517 62.4175 69.1675 174.2858 120 H 4.9403 8.3285 116.8369 55.3933 29.3975 175.6793 121 S 4.3204 8.0442 117.5965 61.6461 62.3675 176.3799 122 D 4.4712 8.1486 118.8806 57.3487 40.8646 177.2206 123 Q 4.1465 8.0603 115.9305 56.6311 29.1474 175.5765 124 F 4.4629 7.6778 117.3437 57.2225 38.9243 174.7175 125 L 4.2153 8.5819 130.1967 57.0557 41.3356 176.7917 126 V 4.5938 7.5383 110.0117 60.2163 36.4969 173.1873 127 T 4.9034 8.1865 118.2796 61.8662 71.7773 173.4900 128 F 4.9562 9.0076 122.6649 55.6969 42.5564 174.6615 129 K 5.0008 8.1929 120.6888 55.4219 35.9792 174.9821 130 E 3.6933 9.1354 118.9961 57.5224 28.5701 174.0438 131 V 4.0934 7.9856 116.4691 62.1875 32.7195 175.9533 132 G 4.0336 9.1317 115.4069 45.5741 0.0000 173.2540 133 R 4.3781 8.0433 118.7957 56.9054 31.7544 176.1743 134 R 4.6745 7.5577 114.3981 53.1281 32.6342 174.0067 135 P 4.2192 0.0000 0.0000 62.1036 31.8016 174.7252 136 P 4.4895 0.0000 0.0000 63.2534 31.6721 175.1179 137 T 4.9092 8.8713 109.7451 59.3009 71.8843 174.5111 138 F 3.9500 8.6785 121.7336 60.9648 39.0482 176.9466 139 G 3.7602 8.2591 105.3078 48.1355 0.0000 175.1693 140 D 4.2931 7.7497 120.1835 56.8816 40.7214 178.7066 141 A 3.7637 7.5956 121.4092 55.0393 18.2952 179.6124 142 S 3.8199 8.1987 111.9394 61.3985 62.4864 176.6013 143 V 3.6040 8.0198 121.3111 66.0029 31.0521 178.1159 144 I 3.0464 7.1656 118.0648 63.9303 37.0003 177.8676 145 A 4.1098 8.0073 121.8262 55.3857 18.1494 179.7567 146 L 4.0038 8.3790 117.7823 57.0220 42.7639 177.5407 147 E 4.7093 7.7871 120.6135 53.2771 26.2272 173.3678 148 L 4.5530 7.1160 126.6884 56.0632 48.5624 175.4651 149 L 4.2061 8.1563 117.6929 57.8488 42.0440 178.4999 150 N 4.9497 7.6829 115.2667 53.1432 38.1419 175.3062 151 S 4.5448 8.8736 112.7433 60.1861 65.4911 174.2485 152 G 3.4646 8.0567 112.2056 45.0251 0.0000 172.6490 153 Y 4.4793 7.3857 122.3914 56.8105 39.2883 174.7725 154 E 4.2696 8.1235 127.4718 54.4479 29.5100 174.8339 155 F 4.4486 7.8214 118.4691 55.7215 39.6568 176.0858 156 D 4.4614 8.7957 123.9145 56.9039 41.5729 175.6808 157 E 4.9400 8.4055 117.5609 54.7289 33.9219 173.9667 158 G 4.2596 8.1850 107.0700 45.3147 0.0000 172.5015 159 S 5.1244 9.4462 115.3742 56.4435 67.1660 172.4573 160 I 4.9111 8.8878 122.6421 59.4451 40.2327 174.0393 161 I 5.2191 9.3159 131.3855 59.5934 39.8800 174.6960 162 F 5.0960 8.4347 120.2371 56.0629 41.9300 172.8230 163 N 5.0961 8.7272 117.1433 52.0975 39.2661 175.0037 164 R 4.5112 8.9352 126.5125 55.4180 31.3302 175.6297 165 F 4.7803 9.5253 129.8644 58.8979 39.7011 174.5711 166 R 4.1916 7.5361 121.4991 57.3842 32.8835 175.0430 167 S 4.2281 7.0364 109.7237 56.9200 66.0009 175.2649 168 V 3.5067 8.5510 113.6200 63.8627 31.0827 177.3648 169 I 4.4339 7.2838 108.5970 60.2092 38.9261 175.3194 170 S 4.8036 7.6057 116.5404 56.9173 66.1400 172.5988 171 Y 5.1782 7.7042 118.1884 55.8101 41.1028 173.5381 172 K 4.5452 8.9099 121.6578 54.8221 35.4238 175.0895 173 T 4.6316 8.6102 124.2654 63.5132 69.1901 173.6918 174 E 4.6910 8.7990 125.7030 54.2107 33.9552 174.5012 175 E 5.1450 8.4753 120.7743 54.5199 32.5128 174.7012 176 K 4.9339 9.0735 125.9767 53.9609 35.3674 173.8507 177 P 4.7171 0.0000 0.0000 62.5031 32.7611 176.0301 178 I 4.3783 8.8573 123.3642 59.3282 39.3277 175.2543 179 F 4.6899 8.3344 125.3859 57.6497 38.6865 177.9154 180 S 4.1928 8.5028 117.1736 60.2997 62.3904 173.5645 181 L 3.5395 7.5807 121.8113 55.7475 41.5383 176.8503 182 D 4.5938 8.5446 124.8659 55.8802 41.4388 176.6614 183 T 4.2012 7.6549 115.0028 66.2216 69.1440 176.2948 184 I 3.9984 7.4612 119.8872 62.6594 38.1729 176.6115 185 S 4.3402 8.0775 114.7520 60.1324 62.7372 174.4210 186 S 4.6796 7.5050 113.9504 56.0205 63.4052 173.8170 187 A 4.4646 7.5799 135.0000 52.1421 19.5064 177.4162 188 E 4.0571 9.0376 116.2176 60.8646 29.8440 177.6689 189 S 4.4088 7.8313 110.5074 59.7371 62.9297 173.8316 190 M 4.6167 7.8988 119.0629 55.6820 31.8098 177.4315 191 S 4.1986 8.0124 113.9035 60.6488 62.7566 175.2624 192 I 3.8402 7.7600 112.5762 63.0513 38.2492 176.1784 193 Y 4.3282 7.4547 121.2962 56.7189 36.1036 176.1963 194 D 4.7406 7.2520 118.1929 51.7535 41.9374 173.4560 195 D 4.5958 7.9302 119.1118 54.1827 46.7176 175.5631 196 I 3.9104 7.6923 120.4956 61.3993 37.6682 176.1563 197 D 4.6023 8.5392 124.7252 53.7134 42.9730 177.3226 198 A 4.0148 8.5965 123.2726 55.3280 18.1142 180.0545 199 D 4.2983 8.0578 117.4213 57.6514 41.0344 179.1466 200 V 3.7322 7.7112 119.0653 64.6505 31.7646 177.9995 201 L 4.0738 7.7012 119.7144 57.5954 41.4062 179.5214 202 R 3.9307 8.0299 118.4292 59.6096 30.0682 178.3588 203 N 4.4008 7.9593 116.2779 56.3428 38.4234 176.7693 204 Y 3.9535 8.6274 121.2989 60.7656 39.0294 177.6629 205 Q 4.1033 8.7866 120.8333 59.4230 29.1625 178.3566 206 E 3.9752 8.4072 119.2931 59.6805 29.5167 178.6498 207 Y 4.1259 8.0184 119.6613 60.8842 38.8722 178.4505 208 S 3.9283 8.2619 115.1932 61.0861 62.6925 176.2283 209 L 3.9581 7.8409 123.9737 57.8832 41.8059 178.7865 210 A 3.7468 7.8469 120.7257 54.9791 18.1842 179.2667 211 N 4.5318 8.1217 115.1999 56.7123 38.6408 177.5251 212 I 3.7781 7.7201 119.9331 63.9435 37.9981 177.8103 213 I 3.6232 7.4139 120.8575 63.3678 37.7896 177.0639 214 Y 4.0026 8.2826 120.9211 60.9455 38.7193 177.5194 215 Y 4.0719 8.4423 120.8991 60.8012 38.8483 178.3966 216 S 2.7900 7.6008 115.0253 60.7897 63.0970 176.3825 217 L 3.8814 7.6532 122.6523 57.4879 40.8077 179.7198 218 K 3.8102 7.4696 118.3088 59.0613 31.9143 179.4644 219 E 3.8944 7.5638 118.4494 59.3661 29.3897 179.1027 220 S 4.1783 8.0597 113.3292 61.8836 62.3300 176.3671 221 T 3.8125 7.6483 117.8699 66.8619 68.1426 176.7612 222 T 3.6989 7.4186 116.5070 66.7151 68.4325 176.8445 223 S 4.4198 7.9426 118.3196 61.0760 62.7615 176.4902 224 E 3.7928 8.4800 122.3574 59.2670 29.3271 178.9269 225 Q 3.9821 8.3543 118.6525 58.8131 28.7837 178.7087 226 S 3.7128 8.0768 115.1231 61.5059 62.9656 176.5491 227 A 4.1275 8.1079 124.6043 54.5327 18.0289 179.9004 228 R 4.2139 8.1046 118.4442 58.9435 30.0719 178.6341 229 M 3.9739 8.1452 118.1296 59.1000 32.1304 178.3939 230 T 3.8080 7.8052 115.3059 66.6562 68.5832 176.4884 231 A 3.9887 8.0174 122.5780 55.5471 18.4032 179.6566 232 M 4.0102 8.1650 117.2134 58.2937 32.0324 178.4855 233 D 4.3240 8.3223 118.4798 57.4546 41.3518 178.1478 234 N 4.3279 8.5249 117.0843 56.1417 38.5067 177.1972 235 A 3.9898 8.2523 122.6855 55.3136 18.4999 179.8439 236 S 4.1435 8.2020 112.5180 61.1490 63.3594 176.9130 237 K 4.0009 8.0444 122.3361 59.3779 31.7999 179.0345 238 N 4.3512 8.4586 116.7825 56.1751 38.3942 177.3491 239 A 3.9941 8.2036 122.2644 55.3349 18.5161 179.8673 240 S 4.1044 8.1205 113.7106 61.5750 62.9609 176.6225 241 E 3.9328 8.1013 121.6035 59.5181 29.3770 178.7548 242 M 4.0627 8.0338 118.7179 58.4406 31.9466 178.6342 243 I 3.6827 8.1113 120.2920 64.6116 36.7744 178.1002 244 D 4.3466 8.1278 119.4455 57.3193 40.7199 178.9351 245 K 4.0011 7.9671 119.6982 59.5419 32.2576 178.9497 246 L 4.0834 8.3753 119.7539 58.0727 41.5237 179.5632 247 T 4.0707 8.2654 116.0100 66.5081 68.3307 176.7195 248 L 4.0357 7.6952 119.9739 58.1727 41.6351 179.6020 249 T 3.8868 7.7895 115.1952 66.4574 68.3541 176.2524 250 F 4.1153 8.8287 122.8521 61.6237 39.4239 177.0474 251 N 4.1599 8.3847 115.8334 56.1095 38.3311 177.4605 252 R 3.8621 7.9374 119.4786 59.8201 30.2118 179.2286 253 T 3.7885 7.9787 115.3320 66.3971 68.2857 176.5047 254 R 3.6198 7.9059 121.0086 59.6160 29.9647 178.5172 255 Q 3.9027 7.9181 117.2454 59.0057 28.6523 178.7764 256 A 3.9647 8.0527 121.7022 54.9345 18.2903 179.9677 257 V 3.4747 7.9274 116.9677 66.0958 31.6561 178.1030 258 I 3.9313 7.4034 119.3730 64.8758 37.0224 178.2649 259 T 3.8198 7.9246 116.2067 66.5750 68.3927 176.3034 260 K 3.8323 8.2309 121.4889 59.5502 32.2977 177.9236 261 E 3.8672 8.1975 119.4809 59.5361 29.4749 178.6932 262 L 3.9524 7.9311 119.9106 58.2788 42.1005 178.9543 263 I 3.7244 7.8845 119.7327 64.2975 36.9553 178.2613 264 E 3.9536 8.1456 119.4035 59.5366 29.2919 179.5235 265 I 3.7519 7.7142 119.6581 64.3448 37.1224 178.6048 266 I 3.7217 7.9360 120.7588 64.3596 36.9702 178.6360 267 S 4.2047 8.3562 116.2738 61.6452 62.4863 176.8938 268 G 3.6852 8.0072 106.7840 47.8268 0.0000 175.2585 269 A 4.1335 8.2440 122.7539 54.9475 18.2560 179.6527 270 A 4.0054 8.0138 118.0018 55.1233 18.4941 179.4130 271 A 4.1031 7.8067 118.1615 54.4934 18.5283 177.5224 272 L 4.1099 7.3788 120.6078 55.1966 41.6565 176.9029 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 A 8.26 4.28 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 2 T 8.13 4.09 4.25 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 1.30 0.00 0.00 3 L 9.28 3.95 0.00 1.77 1.68 0.81 0.65 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 4 K 8.05 4.03 0.00 1.82 1.87 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.49 7.81 5 D 8.05 4.34 0.00 2.88 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 6 I 8.02 3.73 2.15 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 1.80 0.88 1.09 0.00 0.00 7 T 8.19 3.79 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 8 R 7.97 3.91 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 9 R 8.16 3.86 0.00 1.92 2.13 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 10 L 8.38 3.87 0.00 1.82 1.51 0.55 0.51 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 11 K 8.02 3.92 0.00 1.96 1.81 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.50 7.81 12 S 8.07 4.06 0.00 3.89 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 13 I 7.76 3.79 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.90 0.00 0.00 14 K 8.11 3.94 0.00 1.93 1.83 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.59 7.81 15 N 8.06 4.32 0.00 3.02 2.85 0.00 0.00 7.04 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.90 3.69 1.99 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 1.40 0.92 0.91 0.00 0.00 17 Q 8.44 3.95 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 18 K 7.97 3.96 0.00 2.02 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.64 7.81 19 I 7.75 3.75 1.87 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 1.57 0.78 0.91 0.00 0.00 20 T 8.03 3.89 4.39 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 1.27 0.00 0.00 21 K 8.21 3.89 0.00 1.99 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.48 7.81 22 S 8.09 4.15 0.00 4.06 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 23 M 8.50 4.20 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 24 K 8.02 3.95 0.00 1.96 2.01 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.67 7.81 25 M 7.90 4.11 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 26 V 7.92 3.56 2.22 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 1.01 0.00 0.00 0.98 0.00 0.00 27 A 8.11 4.01 1.44 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 0.00 0.00 28 A 8.09 4.10 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 29 A 8.03 4.05 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 30 K 8.31 3.94 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 31 Y 8.48 4.03 0.00 2.99 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 32 A 7.81 3.43 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 33 R 7.62 3.69 0.00 1.93 2.00 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 34 A 7.82 3.84 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 35 E 7.71 3.64 0.00 1.32 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 0.00 2.26 2.12 0.00 36 R 7.60 4.01 0.00 2.01 1.91 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 37 E 8.30 4.02 0.00 2.07 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 2.31 2.37 0.00 38 L 8.08 4.06 0.00 1.84 1.78 0.91 0.42 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 39 K 7.87 3.89 0.00 1.95 1.81 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 40 P 0.00 4.35 0.00 2.34 2.32 0.00 3.93 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 2.05 0.00 41 A 7.84 4.23 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 42 R 8.72 4.13 0.00 2.15 2.13 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 43 V 7.57 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 44 Y 8.43 4.15 0.00 3.15 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 45 G 8.60 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 46 V 7.92 3.62 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 0.97 0.00 0.00 0.92 0.00 0.00 47 G 8.03 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.58 4.04 0.00 3.52 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 49 L 7.44 4.22 0.00 1.80 1.66 0.72 1.21 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 50 A 7.37 3.99 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 51 L 7.75 4.00 0.00 1.67 1.39 0.38 0.78 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 52 Y 7.70 4.72 0.00 3.09 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 53 E 7.70 4.73 0.00 2.04 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 2.40 2.45 0.00 54 K 7.62 4.67 0.00 1.92 1.82 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.39 7.81 55 A 7.71 4.56 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 56 D 8.69 4.55 0.00 2.68 2.65 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 57 I 7.94 4.32 0.62 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 1.44 0.50 -0.02 0.00 0.00 58 K 7.97 4.76 0.00 1.64 1.50 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.36 7.81 59 T 7.98 4.14 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 1.27 0.00 0.00 *65 K 8.55 4.38 0.00 1.93 1.85 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.81 1.49 7.81 66 H 9.74 5.85 0.00 3.17 3.13 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.16 5.03 0.00 1.49 1.03 0.24 0.89 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 68 I 8.50 4.68 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 0.85 0.00 0.00 69 I 8.85 4.70 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.91 0.88 0.00 0.00 70 G 8.97 4.38 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 0.00 71 V 8.82 5.09 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 0.77 0.00 0.00 0.91 0.00 0.00 72 S 9.21 4.95 0.00 3.94 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 73 S 8.90 4.58 0.00 4.08 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 74 D 8.50 4.57 0.00 2.61 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 75 R 7.71 4.27 0.00 1.76 1.83 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 76 G 8.58 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 77 L 8.43 3.68 0.00 1.80 1.81 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 78 C 6.97 5.01 0.00 2.94 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 79 G 7.97 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 0.00 0.00 0.00 80 A 8.49 4.67 1.37 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 0.00 0.00 0.00 81 I 7.50 3.51 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.19 0.57 0.00 0.00 82 H 7.92 4.40 0.00 3.25 3.33 0.00 5.82 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 83 S 8.07 4.15 0.00 4.07 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 84 S 8.15 4.13 0.00 4.22 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 0.00 85 V 7.47 3.58 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 1.07 0.00 0.00 1.08 0.00 0.00 86 A 8.25 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 3.92 0.00 2.15 1.89 0.00 1.53 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 88 Q 8.06 4.07 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 89 M 8.07 4.00 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.50 0.00 90 K 7.98 3.94 0.00 2.04 2.03 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.45 7.81 91 S 7.83 4.03 0.00 4.10 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 92 E 8.43 4.02 0.00 2.11 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 2.30 2.65 0.00 93 A 7.59 3.98 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 94 A 7.85 4.10 1.37 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 0.00 0.00 0.00 95 N 7.51 4.50 0.00 2.96 2.87 0.00 0.00 6.95 7.73 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 96 L 7.07 4.35 0.00 1.62 1.59 0.71 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *101 K 8.26 4.07 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 102 E 7.98 4.52 0.00 2.10 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 2.41 2.36 0.00 103 V 8.46 4.92 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 0.85 0.00 0.00 0.94 0.00 0.00 104 K 9.03 4.72 0.00 1.15 1.10 0.00 1.26 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.08 0.33 7.81 105 I 8.66 4.71 1.04 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 0.98 0.44 0.13 0.00 0.00 106 I 8.98 4.95 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 1.16 0.00 0.00 107 G 8.91 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 9.12 4.69 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 0.69 0.00 0.00 0.88 0.00 0.00 109 G 9.09 4.24 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 0.00 110 D 9.66 4.33 0.00 2.68 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 0.00 111 K 7.83 3.97 0.00 1.81 1.48 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.01 1.38 7.81 112 I 7.78 3.78 2.08 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 1.60 1.74 1.11 0.00 0.00 113 R 7.91 3.69 0.00 1.61 1.87 0.00 2.90 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.00 114 S 7.63 3.97 0.00 4.00 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 0.00 115 I 7.37 3.96 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 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0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.19 0.00 1.75 1.71 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 167 S 7.04 4.23 0.00 3.90 3.79 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 0.00 168 V 8.55 3.51 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 0.71 0.00 0.00 0.94 0.00 0.00 169 I 7.28 4.43 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.89 0.00 0.00 170 S 7.61 4.80 0.00 3.67 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 0.00 171 Y 7.70 5.18 0.00 3.05 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 0.00 172 K 8.91 4.55 0.00 1.74 1.61 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.46 7.81 173 T 8.61 4.63 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 0.00 174 E 8.80 4.69 0.00 1.16 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 2.09 2.18 0.00 175 E 8.48 5.14 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 176 K 9.07 4.93 0.00 1.93 1.82 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.28 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.75 1.98 7.81 177 P 0.00 4.72 0.00 0.98 1.68 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 178 I 8.86 4.38 1.87 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 0.73 1.10 0.00 0.00 179 F 8.33 4.69 0.00 2.91 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 0.00 180 S 8.50 4.19 0.00 4.09 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 0.00 181 L 7.58 3.54 0.00 1.80 1.57 0.88 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 182 D 8.54 4.59 0.00 2.63 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 0.00 183 T 7.65 4.20 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 1.19 0.00 0.00 184 I 7.46 4.00 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.03 1.00 0.00 0.00 185 S 8.08 4.34 0.00 3.92 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 0.00 186 S 7.50 4.68 0.00 3.97 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 0.00 187 A 7.58 4.46 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 9.04 4.06 0.00 1.90 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 2.27 2.34 0.00 189 S 7.83 4.41 0.00 3.93 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 0.00 190 M 7.90 4.62 0.00 2.26 1.97 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 2.56 2.62 0.00 191 S 8.01 4.20 0.00 3.94 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 0.00 192 I 7.76 3.84 1.64 0.00 0.00 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 1.58 0.63 0.86 0.00 0.00 193 Y 7.45 4.33 0.00 3.01 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 0.00 194 D 7.25 4.74 0.00 2.72 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 0.00 195 D 7.93 4.60 0.00 2.59 2.58 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 0.00 0.00 0.00 0.00 196 I 7.69 3.91 1.86 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 1.38 0.52 0.90 0.00 0.00 197 D 8.54 4.60 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 198 A 8.60 4.01 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 0.00 199 D 8.06 4.30 0.00 2.71 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 0.00 200 V 7.71 3.73 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 1.02 0.00 0.00 0.96 0.00 0.00 201 L 7.70 4.07 0.00 1.70 1.80 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.03 3.93 0.00 2.09 2.15 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 203 N 7.96 4.40 0.00 2.94 2.90 0.00 0.00 6.71 8.06 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 0.00 204 Y 8.63 3.95 0.00 3.06 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 0.00 205 Q 8.79 4.10 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.75 0.00 206 E 8.41 3.98 0.00 2.30 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 2.39 2.52 0.00 207 Y 8.02 4.13 0.00 3.17 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 0.00 208 S 8.26 3.93 0.00 3.85 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 0.00 209 L 7.84 3.96 0.00 1.97 1.96 0.98 1.18 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 0.00 210 A 7.85 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 N 8.12 4.53 0.00 2.79 2.85 0.00 0.00 6.68 7.57 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 0.00 212 I 7.72 3.78 1.89 0.00 0.00 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 1.47 1.26 1.01 0.00 0.00 213 I 7.41 3.62 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.51 0.80 0.00 0.00 214 Y 8.28 4.00 0.00 2.87 3.27 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 0.00 215 Y 8.44 4.07 0.00 3.13 3.07 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 0.00 216 S 7.60 2.79 0.00 3.30 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 0.00 217 L 7.65 3.88 0.00 1.77 1.53 0.81 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 218 K 7.47 3.81 0.00 1.36 1.61 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.62 0.87 7.81 219 E 7.56 3.89 0.00 1.78 2.22 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 1.91 1.74 0.00 220 S 8.06 4.18 0.00 3.92 3.82 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 0.00 221 T 7.65 3.81 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 222 T 7.42 3.70 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 0.23 0.00 0.00 223 S 7.94 4.42 0.00 3.94 3.68 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 0.00 224 E 8.48 3.79 0.00 2.00 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 2.22 2.42 0.00 225 Q 8.35 3.98 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 226 S 8.08 3.71 0.00 4.09 3.53 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 0.00 227 A 8.11 4.13 1.36 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 0.00 228 R 8.10 4.21 0.00 2.09 1.98 0.00 3.32 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 229 M 8.15 3.97 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 230 T 7.81 3.81 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 1.23 0.00 0.00 231 A 8.02 3.99 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 0.00 232 M 8.17 4.01 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 233 D 8.32 4.32 0.00 2.94 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 0.00 234 N 8.52 4.33 0.00 2.93 2.85 0.00 0.00 6.93 7.82 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 0.00 235 A 8.25 3.99 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 0.00 236 S 8.20 4.14 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 K 8.04 4.00 0.00 1.99 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.64 7.81 238 N 8.46 4.35 0.00 2.87 2.86 0.00 0.00 6.92 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 0.00 239 A 8.20 3.99 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 0.00 240 S 8.12 4.10 0.00 4.04 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 0.00 241 E 8.10 3.93 0.00 2.07 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 0.00 2.31 2.35 0.00 242 M 8.03 4.06 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 243 I 8.11 3.68 2.02 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 1.50 0.71 0.89 0.00 0.00 244 D 8.13 4.35 0.00 2.88 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 0.00 245 K 7.97 4.00 0.00 1.87 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 246 L 8.38 4.08 0.00 1.83 1.72 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.27 4.07 4.42 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 1.27 0.00 0.00 248 L 7.70 4.04 0.00 1.92 1.73 0.94 0.70 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 0.00 249 T 7.79 3.89 4.44 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 1.24 0.00 0.00 250 F 8.83 4.12 0.00 3.08 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 0.00 251 N 8.38 4.16 0.00 2.82 2.84 0.00 0.00 7.10 7.07 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 0.00 252 R 7.94 3.86 0.00 2.02 1.96 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 253 T 7.98 3.79 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 1.16 0.00 0.00 254 R 7.91 3.62 0.00 1.07 1.78 0.00 3.05 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 255 Q 7.92 3.90 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 256 A 8.05 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 0.00 257 V 7.93 3.47 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 1.00 0.00 0.00 0.93 0.00 0.00 258 I 7.40 3.93 1.98 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 1.50 0.61 0.94 0.00 0.00 259 T 7.92 3.82 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 1.20 0.00 0.00 260 K 8.23 3.83 0.00 1.84 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.45 7.81 261 E 8.20 3.87 0.00 2.06 2.19 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 2.31 2.33 0.00 262 L 7.93 3.95 0.00 1.97 1.85 0.91 0.96 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 0.00 263 I 7.88 3.72 1.98 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 1.51 0.50 0.90 0.00 0.00 264 E 8.15 3.95 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 265 I 7.71 3.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.91 0.00 0.00 266 I 7.94 3.72 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.86 0.91 0.00 0.00 267 S 8.36 4.20 0.00 4.00 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 0.00 268 G 8.01 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 0.00 269 A 8.24 4.13 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 0.00 270 A 8.01 4.01 1.36 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 0.00 271 A 7.81 4.10 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 0.00 272 L 7.38 4.11 0.00 1.78 1.60 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.