REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jt2_1_A DATA FIRST_RESID 2 DATA SEQUENCE GLEKTVKEKL SFEGVGIHTG EYSKLIIHPE KEGTGIRFFK NGVYIPARHE DATA SEQUENCE FVVHTNHSTD LGFKGQRIKT VEHILSVLHL LEITNVTIEV IGNEIPILDG DATA SEQUENCE SGWEFYEAIR KNILNQNREI DYFVVEEPII VEDEGRLIKA EPSDTLEVTY DATA SEQUENCE EGEFKNFLGR QKFTFVEGNE EEIVLARTFA FDWEIEHIKK VGLGKGGSLK DATA SEQUENCE NTLVLGKDKV YNPEGLRYEN EPVRHKVFDL IGDLYLLGSP VKGKFYSFRG DATA SEQUENCE GHSLNVKLVK ELAKKQKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 4.206 3.960 0.410 0.000 0.244 2 G C 0.000 175.016 174.900 0.193 0.000 0.946 2 G CA 0.000 45.243 45.100 0.238 0.000 0.502 3 L N 2.290 123.587 121.223 0.124 0.000 2.343 3 L HA 0.548 5.119 4.340 0.076 -0.185 0.275 3 L C 0.440 177.345 176.870 0.058 0.000 1.056 3 L CA -1.261 53.626 54.840 0.078 0.000 0.804 3 L CB 1.743 43.835 42.059 0.055 0.000 1.203 3 L HN 0.163 8.462 8.230 0.114 0.000 0.440 4 E N 1.273 121.492 120.200 0.031 0.000 2.502 4 E HA -0.292 4.054 4.350 -0.006 0.000 0.261 4 E C -1.250 175.357 176.600 0.012 0.000 0.974 4 E CA 1.723 58.127 56.400 0.007 0.000 0.936 4 E CB 0.561 30.257 29.700 -0.006 0.000 0.926 4 E HN 0.433 8.702 8.360 0.030 0.108 0.459 5 K N 2.412 122.817 120.400 0.009 0.000 2.318 5 K HA 0.806 5.283 4.320 0.011 -0.151 0.249 5 K C -0.847 175.749 176.600 -0.005 0.000 0.942 5 K CA -1.198 55.095 56.287 0.010 0.000 0.808 5 K CB 4.081 36.596 32.500 0.026 0.000 1.189 5 K HN -0.268 7.984 8.250 0.003 0.000 0.428 6 T N 0.986 115.535 114.554 -0.009 0.000 2.618 6 T HA 0.434 4.767 4.350 -0.027 0.000 0.286 6 T C -2.155 172.536 174.700 -0.016 0.000 1.027 6 T CA -2.620 59.469 62.100 -0.019 0.000 1.063 6 T CB 2.107 70.962 68.868 -0.020 0.000 1.440 6 T HN 0.629 8.867 8.240 -0.004 0.000 0.505 7 V N -3.252 116.652 119.914 -0.017 0.000 2.472 7 V HA 0.823 5.143 4.120 -0.014 -0.209 0.290 7 V C 0.069 176.153 176.094 -0.016 0.000 1.037 7 V CA -2.217 60.074 62.300 -0.014 0.000 0.908 7 V CB 1.849 33.666 31.823 -0.010 0.000 0.985 7 V HN 0.339 8.518 8.190 -0.019 0.000 0.454 8 K N 3.248 123.638 120.400 -0.017 0.000 2.362 8 K HA -0.174 4.138 4.320 -0.013 0.000 0.200 8 K C 0.004 176.592 176.600 -0.021 0.000 1.046 8 K CA 1.828 58.105 56.287 -0.016 0.000 0.952 8 K CB -0.109 32.382 32.500 -0.015 0.000 0.753 8 K HN 0.443 8.683 8.250 -0.017 0.000 0.466 9 E N -4.118 116.063 120.200 -0.030 0.000 2.412 9 E HA 0.055 4.383 4.350 -0.035 0.000 0.279 9 E C -2.161 174.393 176.600 -0.075 0.000 0.984 9 E CA -1.828 54.546 56.400 -0.044 0.000 0.788 9 E CB 2.975 32.649 29.700 -0.045 0.000 1.277 9 E HN -0.797 7.504 8.360 -0.029 0.042 0.455 10 K N 0.153 120.480 120.400 -0.123 0.000 2.448 10 K HA -0.002 4.347 4.320 -0.265 -0.188 0.278 10 K C -0.529 175.951 176.600 -0.201 0.000 1.009 10 K CA 0.285 56.412 56.287 -0.265 0.000 0.995 10 K CB 0.367 32.568 32.500 -0.499 0.000 0.917 10 K HN 0.032 8.224 8.250 -0.096 0.000 0.481 11 L N 1.887 123.016 121.223 -0.158 0.000 2.286 11 L HA 0.345 4.586 4.340 -0.166 0.000 0.265 11 L C -1.060 175.746 176.870 -0.107 0.000 1.012 11 L CA -1.243 53.532 54.840 -0.108 0.000 0.818 11 L CB 3.912 46.009 42.059 0.063 0.000 1.337 11 L HN 0.440 8.574 8.230 -0.159 0.000 0.438 12 S N -0.781 114.743 115.700 -0.294 0.000 2.540 12 S HA 0.494 5.151 4.470 0.087 -0.135 0.275 12 S C -1.321 172.979 174.600 -0.501 0.000 1.123 12 S CA -1.329 56.770 58.200 -0.168 0.000 0.907 12 S CB 2.431 65.561 63.200 -0.118 0.000 1.081 12 S HN -0.052 7.953 8.310 -0.508 0.000 0.476 13 F N 2.059 122.031 119.950 0.036 0.000 2.599 13 F HA 0.374 4.842 4.527 -0.098 0.000 0.311 13 F C -2.325 173.469 175.800 -0.009 0.000 1.076 13 F CA -0.728 57.253 58.000 -0.031 0.000 0.937 13 F CB 4.688 43.663 39.000 -0.041 0.000 1.282 13 F HN 0.531 8.910 8.300 0.331 0.120 0.460 14 E N -0.160 120.105 120.200 0.108 0.000 2.390 14 E HA 0.864 5.308 4.350 -0.087 -0.147 0.280 14 E C -1.964 174.588 176.600 -0.080 0.000 0.992 14 E CA -1.120 55.261 56.400 -0.031 0.000 0.790 14 E CB 4.336 34.068 29.700 0.054 0.000 1.248 14 E HN 0.176 8.584 8.360 0.080 0.000 0.447 15 G N 0.154 108.778 108.800 -0.294 0.000 2.316 15 G HA2 0.176 4.144 3.960 0.014 0.000 0.296 15 G HA3 0.176 4.121 3.960 -0.025 0.000 0.296 15 G C -2.889 171.902 174.900 -0.181 0.000 1.399 15 G CA 0.065 45.092 45.100 -0.122 0.000 0.833 15 G HN 0.439 8.379 8.290 -0.584 0.000 0.565 16 V N 1.113 121.013 119.914 -0.023 0.000 2.834 16 V HA 0.429 4.753 4.120 -0.027 -0.220 0.301 16 V C 0.055 176.136 176.094 -0.020 0.000 1.066 16 V CA -1.208 61.088 62.300 -0.007 0.000 1.052 16 V CB 2.455 34.306 31.823 0.047 0.000 1.021 16 V HN 0.273 8.485 8.190 0.036 0.000 0.480 17 G N 4.174 112.958 108.800 -0.026 0.000 2.395 17 G HA2 0.241 4.264 3.960 -0.021 0.000 0.283 17 G HA3 0.241 4.322 3.960 -0.027 -0.137 0.283 17 G C -0.637 174.230 174.900 -0.056 0.000 1.178 17 G CA -1.140 43.942 45.100 -0.030 0.000 0.837 17 G HN -0.192 8.086 8.290 -0.020 0.000 0.518 18 I N 4.380 124.885 120.570 -0.108 0.000 2.264 18 I HA -0.475 3.603 4.170 -0.153 0.000 0.248 18 I C 0.438 176.390 176.117 -0.275 0.000 1.111 18 I CA 3.020 64.190 61.300 -0.216 0.000 1.382 18 I CB 0.559 38.363 38.000 -0.326 0.000 1.060 18 I HN 0.698 8.853 8.210 -0.091 0.000 0.418 19 H N -1.017 117.995 119.070 -0.097 0.000 2.344 19 H HA -0.037 4.571 4.556 -0.126 -0.127 0.307 19 H C 2.459 177.733 175.328 -0.090 0.000 1.057 19 H CA 3.195 59.175 56.048 -0.113 0.000 1.373 19 H CB 1.156 30.836 29.762 -0.136 0.000 1.421 19 H HN -0.410 8.242 8.280 -0.114 -0.440 0.532 20 T N -3.079 111.509 114.554 0.057 0.000 2.915 20 T HA -0.202 4.153 4.350 0.008 0.000 0.269 20 T C 1.553 176.256 174.700 0.005 0.000 1.071 20 T CA 2.565 64.673 62.100 0.014 0.000 1.132 20 T CB 0.342 69.210 68.868 0.000 0.000 0.878 20 T HN 0.545 9.410 8.240 0.063 -0.587 0.479 21 G N 2.457 111.254 108.800 -0.004 0.000 2.200 21 G HA2 -0.408 3.603 3.960 -0.008 0.000 0.267 21 G HA3 -0.408 3.550 3.960 -0.004 0.000 0.267 21 G C -1.042 173.872 174.900 0.023 0.000 0.993 21 G CA 0.987 46.087 45.100 -0.000 0.000 0.701 21 G HN -0.085 8.068 8.290 -0.014 0.129 0.524 22 E N -1.364 118.853 120.200 0.028 0.000 2.235 22 E HA 0.156 4.551 4.350 0.074 0.000 0.265 22 E C -1.367 175.286 176.600 0.087 0.000 0.940 22 E CA -1.621 54.815 56.400 0.061 0.000 0.819 22 E CB 3.247 32.974 29.700 0.046 0.000 1.206 22 E HN -0.415 7.884 8.360 0.013 0.069 0.409 23 Y N 2.136 122.445 120.300 0.015 0.000 2.359 23 Y HA -0.168 4.398 4.550 0.028 0.000 0.330 23 Y C -0.827 175.093 175.900 0.034 0.000 1.143 23 Y CA 1.191 59.306 58.100 0.025 0.000 1.318 23 Y CB 0.577 39.050 38.460 0.021 0.000 1.234 23 Y HN 0.244 8.667 8.280 0.237 0.000 0.522 24 S N 7.686 122.988 115.700 -0.664 0.000 2.541 24 S HA 0.498 4.995 4.470 -0.154 -0.119 0.280 24 S C -1.990 172.317 174.600 -0.489 0.000 1.112 24 S CA -0.802 57.180 58.200 -0.364 0.000 0.925 24 S CB 3.627 66.733 63.200 -0.157 0.000 1.067 24 S HN 0.280 8.028 8.310 -0.936 0.000 0.479 25 K N 3.518 123.820 120.400 -0.163 0.000 2.221 25 K HA 0.610 4.963 4.320 -0.094 -0.090 0.243 25 K C -2.247 174.407 176.600 0.090 0.000 0.968 25 K CA -1.472 54.801 56.287 -0.023 0.000 0.846 25 K CB 3.712 36.288 32.500 0.126 0.000 1.141 25 K HN 0.360 8.583 8.250 -0.046 0.000 0.434 26 L N 0.226 121.550 121.223 0.168 0.000 2.409 26 L HA 0.928 5.596 4.340 0.217 -0.198 0.262 26 L C -1.216 175.811 176.870 0.263 0.000 0.992 26 L CA -1.573 53.416 54.840 0.250 0.000 0.817 26 L CB 4.987 47.266 42.059 0.366 0.000 1.350 26 L HN 0.796 9.046 8.230 0.163 0.078 0.411 27 I N 0.916 121.640 120.570 0.256 0.000 2.531 27 I HA 0.388 4.796 4.170 0.157 -0.143 0.283 27 I C -1.195 175.051 176.117 0.216 0.000 1.083 27 I CA -0.689 60.739 61.300 0.213 0.000 1.071 27 I CB 2.315 40.480 38.000 0.276 0.000 1.210 27 I HN 0.598 8.962 8.210 0.257 0.000 0.450 28 I N 8.194 128.838 120.570 0.124 0.000 2.301 28 I HA 0.290 4.733 4.170 0.117 -0.203 0.292 28 I C -0.821 175.241 176.117 -0.092 0.000 1.046 28 I CA -0.748 60.599 61.300 0.079 0.000 1.282 28 I CB 0.625 38.697 38.000 0.120 0.000 1.409 28 I HN 0.466 8.674 8.210 0.156 0.095 0.484 29 H N 8.673 127.739 119.070 -0.006 0.000 2.457 29 H HA 0.429 4.978 4.556 -0.012 0.000 0.335 29 H C -2.070 173.238 175.328 -0.033 0.000 1.115 29 H CA -2.174 53.860 56.048 -0.024 0.000 1.219 29 H CB 1.781 31.513 29.762 -0.051 0.000 1.471 29 H HN 0.551 8.976 8.280 0.242 0.000 0.491 30 P HA 0.039 4.457 4.420 -0.003 0.000 0.271 30 P C -0.843 176.466 177.300 0.015 0.000 1.233 30 P CA 0.231 63.340 63.100 0.016 0.000 0.795 30 P CB 0.665 32.368 31.700 0.006 0.000 0.936 31 E N -0.994 119.200 120.200 -0.010 0.000 2.456 31 E HA 0.206 4.547 4.350 -0.015 0.000 0.276 31 E C -1.536 175.048 176.600 -0.027 0.000 0.981 31 E CA -2.083 54.304 56.400 -0.022 0.000 0.814 31 E CB 4.218 33.894 29.700 -0.040 0.000 1.382 31 E HN -0.328 8.022 8.360 -0.017 0.000 0.459 32 K N -0.266 120.114 120.400 -0.034 0.000 2.154 32 K HA 0.180 4.486 4.320 -0.024 0.000 0.264 32 K C -0.158 176.422 176.600 -0.033 0.000 1.008 32 K CA -0.829 55.439 56.287 -0.031 0.000 0.937 32 K CB 0.756 33.236 32.500 -0.034 0.000 1.002 32 K HN 0.027 8.253 8.250 -0.040 0.000 0.469 33 E N -0.059 120.126 120.200 -0.026 0.000 2.508 33 E HA -0.431 4.037 4.350 -0.025 -0.132 0.266 33 E C 1.098 177.680 176.600 -0.031 0.000 1.010 33 E CA 2.157 58.542 56.400 -0.024 0.000 0.955 33 E CB -0.105 29.587 29.700 -0.015 0.000 0.946 33 E HN 0.252 8.599 8.360 -0.021 0.000 0.454 34 G N 2.500 111.280 108.800 -0.033 0.000 2.189 34 G HA2 -0.346 3.668 3.960 -0.035 0.000 0.267 34 G HA3 -0.346 3.595 3.960 -0.031 0.000 0.267 34 G C 0.734 175.602 174.900 -0.053 0.000 0.975 34 G CA 1.260 46.338 45.100 -0.037 0.000 0.644 34 G HN 0.353 9.105 8.290 -0.031 -0.481 0.537 35 T N 2.314 116.832 114.554 -0.061 0.000 2.777 35 T HA -0.235 4.066 4.350 -0.081 0.000 0.266 35 T C 0.753 175.394 174.700 -0.098 0.000 1.040 35 T CA 2.961 65.014 62.100 -0.079 0.000 1.141 35 T CB 0.561 69.384 68.868 -0.074 0.000 0.868 35 T HN -0.064 8.055 8.240 -0.053 0.088 0.444 36 G N -0.924 107.815 108.800 -0.103 0.000 2.655 36 G HA2 -0.338 3.636 3.960 -0.124 0.000 0.680 36 G HA3 -0.338 3.537 3.960 -0.142 0.000 0.680 36 G C -2.571 172.216 174.900 -0.189 0.000 1.302 36 G CA -0.670 44.347 45.100 -0.137 0.000 0.872 36 G HN -0.386 7.851 8.290 -0.088 0.000 0.540 37 I N 0.794 121.204 120.570 -0.267 0.000 2.304 37 I HA 0.387 4.501 4.170 -0.335 -0.145 0.291 37 I C -1.176 174.701 176.117 -0.401 0.000 1.018 37 I CA -0.578 60.497 61.300 -0.374 0.000 1.260 37 I CB -0.491 37.190 38.000 -0.531 0.000 1.390 37 I HN 0.311 8.361 8.210 -0.267 0.000 0.475 38 R N 4.957 125.219 120.500 -0.398 0.000 2.774 38 R HA 0.524 4.673 4.340 -0.319 0.000 0.272 38 R C -2.393 173.675 176.300 -0.387 0.000 1.000 38 R CA -2.066 53.842 56.100 -0.320 0.000 0.906 38 R CB 4.202 34.428 30.300 -0.124 0.000 1.227 38 R HN 0.508 8.559 8.270 -0.365 0.000 0.468 39 F N -1.698 118.202 119.950 -0.083 0.000 2.440 39 F HA 0.423 5.177 4.527 -0.003 -0.229 0.328 39 F C -0.889 174.915 175.800 0.007 0.000 1.070 39 F CA -1.391 56.588 58.000 -0.034 0.000 1.011 39 F CB 3.395 42.349 39.000 -0.077 0.000 1.226 39 F HN 0.226 8.513 8.300 0.178 0.121 0.491 40 F N 2.473 122.438 119.950 0.025 0.000 2.496 40 F HA 0.555 5.026 4.527 -0.355 -0.157 0.341 40 F C -2.284 173.441 175.800 -0.125 0.000 1.134 40 F CA -1.326 56.545 58.000 -0.215 0.000 0.968 40 F CB 2.972 41.775 39.000 -0.329 0.000 1.205 40 F HN 0.636 9.030 8.300 0.328 0.103 0.436 41 K N 7.812 127.782 120.400 -0.717 0.000 2.482 41 K HA 0.529 4.637 4.320 -0.353 0.000 0.251 41 K C -0.507 175.732 176.600 -0.600 0.000 0.936 41 K CA -0.831 55.162 56.287 -0.490 0.000 0.791 41 K CB 3.047 35.425 32.500 -0.204 0.000 1.213 41 K HN 0.488 8.307 8.250 -0.720 0.000 0.428 42 N N 4.422 122.853 118.700 -0.448 0.000 2.714 42 N HA -0.307 4.325 4.740 -0.180 0.000 0.250 42 N C -0.667 174.611 175.510 -0.387 0.000 1.117 42 N CA 0.647 53.520 53.050 -0.295 0.000 0.719 42 N CB -0.703 37.679 38.487 -0.175 0.000 1.081 42 N HN 0.907 9.095 8.380 -0.320 0.000 0.557 43 G N -6.726 101.591 108.800 -0.805 0.000 2.143 43 G HA2 -0.388 3.326 3.960 -0.411 0.000 0.248 43 G HA3 -0.388 3.489 3.960 -0.138 0.000 0.248 43 G C -1.357 173.277 174.900 -0.443 0.000 0.991 43 G CA 0.199 44.996 45.100 -0.504 0.000 0.689 43 G HN -0.139 7.274 8.290 -1.413 0.029 0.522 44 V N 1.099 120.614 119.914 -0.664 0.000 2.444 44 V HA 0.247 4.360 4.120 -0.011 0.000 0.294 44 V C -1.362 174.539 176.094 -0.321 0.000 1.022 44 V CA -1.179 60.970 62.300 -0.252 0.000 0.850 44 V CB 2.216 33.985 31.823 -0.091 0.000 0.992 44 V HN -0.448 6.990 8.190 -0.971 0.169 0.426 45 Y N 6.753 127.034 120.300 -0.032 0.000 2.359 45 Y HA 0.323 5.116 4.550 0.060 -0.207 0.334 45 Y C 0.703 176.558 175.900 -0.076 0.000 1.058 45 Y CA -0.250 57.852 58.100 0.004 0.000 1.244 45 Y CB 0.627 39.100 38.460 0.022 0.000 1.187 45 Y HN 0.360 8.937 8.280 0.495 0.000 0.510 46 I N 6.397 126.990 120.570 0.038 0.000 2.460 46 I HA 0.280 4.319 4.170 -0.218 0.000 0.277 46 I C -1.857 174.083 176.117 -0.296 0.000 1.057 46 I CA -3.001 58.228 61.300 -0.119 0.000 1.179 46 I CB 0.847 38.868 38.000 0.035 0.000 1.329 46 I HN 0.853 8.995 8.210 0.090 0.122 0.478 47 P HA -0.148 4.152 4.420 -0.381 -0.109 0.266 47 P C -0.691 176.284 177.300 -0.541 0.000 1.186 47 P CA 0.133 62.853 63.100 -0.632 0.000 0.767 47 P CB 0.321 31.537 31.700 -0.808 0.000 0.820 48 A N 4.163 126.791 122.820 -0.320 0.000 3.037 48 A HA 0.077 4.384 4.320 -0.021 0.000 0.272 48 A C -1.623 175.835 177.584 -0.210 0.000 1.723 48 A CA -0.389 51.544 52.037 -0.174 0.000 1.413 48 A CB -1.092 17.764 19.000 -0.239 0.000 1.112 48 A HN 0.377 8.322 8.150 -0.341 0.000 0.606 49 R N 0.329 120.703 120.500 -0.211 0.000 2.939 49 R HA 0.463 4.797 4.340 -0.211 -0.120 0.254 49 R C 1.789 178.048 176.300 -0.068 0.000 1.123 49 R CA -1.725 54.256 56.100 -0.198 0.000 1.020 49 R CB 3.726 33.895 30.300 -0.218 0.000 1.206 49 R HN -0.328 7.723 8.270 -0.284 0.049 0.491 50 H N 0.858 120.012 119.070 0.140 0.000 2.307 50 H HA -0.171 4.444 4.556 0.098 0.000 0.303 50 H C 1.641 177.057 175.328 0.147 0.000 1.073 50 H CA 2.954 59.070 56.048 0.113 0.000 1.338 50 H CB -0.611 29.184 29.762 0.055 0.000 1.389 50 H HN 0.294 7.851 8.280 -1.205 0.000 0.503 51 E N -0.811 119.473 120.200 0.140 0.000 2.352 51 E HA -0.283 4.143 4.350 0.127 0.000 0.203 51 E C 0.418 176.967 176.600 -0.086 0.000 1.024 51 E CA 2.055 58.497 56.400 0.069 0.000 0.842 51 E CB -0.751 28.925 29.700 -0.040 0.000 0.753 51 E HN 0.570 8.769 8.360 -0.268 0.000 0.508 52 F N -3.550 116.409 119.950 0.014 0.000 2.727 52 F HA 0.003 4.623 4.527 0.155 0.000 0.302 52 F C -0.377 175.454 175.800 0.050 0.000 1.097 52 F CA 0.824 58.861 58.000 0.061 0.000 1.330 52 F CB 0.998 39.998 39.000 0.000 0.000 1.084 52 F HN -0.913 7.435 8.300 0.405 0.195 0.578 53 V N 1.121 121.142 119.914 0.177 0.000 2.585 53 V HA -0.110 4.238 4.120 0.097 -0.169 0.296 53 V C 0.298 176.432 176.094 0.067 0.000 1.035 53 V CA 1.961 64.327 62.300 0.110 0.000 1.084 53 V CB 0.095 31.981 31.823 0.105 0.000 0.953 53 V HN 0.263 8.358 8.190 0.182 0.204 0.483 54 V N 2.200 122.146 119.914 0.052 0.000 3.359 54 V HA 0.251 4.365 4.120 -0.009 0.000 0.245 54 V C -0.870 175.234 176.094 0.017 0.000 1.247 54 V CA -0.293 62.018 62.300 0.018 0.000 1.145 54 V CB 1.302 33.138 31.823 0.021 0.000 0.906 54 V HN 0.138 8.362 8.190 0.056 0.000 0.464 55 H N 2.748 121.794 119.070 -0.041 0.000 2.966 55 H HA 0.350 4.880 4.556 -0.044 0.000 0.347 55 H C -2.251 173.036 175.328 -0.068 0.000 1.048 55 H CA -0.107 55.907 56.048 -0.057 0.000 1.295 55 H CB 2.928 32.644 29.762 -0.078 0.000 1.744 55 H HN -0.746 7.593 8.280 0.098 0.000 0.513 56 T N 3.453 118.202 114.554 0.326 0.000 2.977 56 T HA 0.325 4.821 4.350 0.023 -0.132 0.346 56 T C -1.129 173.640 174.700 0.115 0.000 1.140 56 T CA -1.421 60.758 62.100 0.131 0.000 1.040 56 T CB 0.169 69.102 68.868 0.109 0.000 1.046 56 T HN 0.111 8.566 8.240 0.359 0.000 0.494 57 N N 5.383 124.051 118.700 -0.054 0.000 2.554 57 N HA 0.129 4.820 4.740 -0.083 0.000 0.271 57 N C -1.506 173.912 175.510 -0.155 0.000 1.081 57 N CA 0.003 52.985 53.050 -0.114 0.000 0.994 57 N CB 1.931 40.354 38.487 -0.107 0.000 1.641 57 N HN -0.097 8.188 8.380 -0.159 0.000 0.511 58 H N -1.813 117.231 119.070 -0.043 0.000 3.056 58 H HA -0.489 4.123 4.556 0.094 0.000 0.281 58 H C -1.925 173.365 175.328 -0.064 0.000 1.097 58 H CA 1.929 57.977 56.048 0.000 0.000 1.182 58 H CB -0.525 29.210 29.762 -0.046 0.000 1.312 58 H HN 0.629 8.691 8.280 -0.362 0.000 0.338 59 S N -7.836 107.678 115.700 -0.311 0.000 2.785 59 S HA 0.028 4.002 4.470 -1.088 -0.157 0.286 59 S C -1.313 172.890 174.600 -0.662 0.000 0.918 59 S CA -0.348 57.463 58.200 -0.647 0.000 0.866 59 S CB 2.189 65.263 63.200 -0.210 0.000 1.087 59 S HN -0.471 7.556 8.310 -0.296 0.105 0.472 60 T N 5.386 119.534 114.554 -0.677 0.000 2.780 60 T HA 0.098 4.332 4.350 -0.194 0.000 0.294 60 T C -1.052 173.535 174.700 -0.189 0.000 0.949 60 T CA 1.707 63.644 62.100 -0.272 0.000 1.074 60 T CB 0.692 69.507 68.868 -0.087 0.000 0.910 60 T HN 0.602 8.910 8.240 -0.785 -0.539 0.501 61 D N 6.160 126.489 120.400 -0.118 0.000 2.457 61 D HA 0.736 5.380 4.640 -0.164 -0.102 0.240 61 D C -1.345 174.920 176.300 -0.058 0.000 1.041 61 D CA -0.711 53.222 54.000 -0.112 0.000 0.861 61 D CB 3.810 44.554 40.800 -0.092 0.000 1.394 61 D HN 0.324 8.652 8.370 -0.069 0.000 0.473 62 L N -0.768 120.398 121.223 -0.094 0.000 2.354 62 L HA 0.840 5.372 4.340 0.055 -0.159 0.269 62 L C -1.252 175.625 176.870 0.010 0.000 1.005 62 L CA -1.486 53.345 54.840 -0.015 0.000 0.819 62 L CB 3.599 45.619 42.059 -0.064 0.000 1.311 62 L HN 0.763 8.894 8.230 -0.165 0.000 0.423 63 G N -1.238 107.633 108.800 0.120 0.000 2.673 63 G HA2 0.641 4.698 3.960 0.091 0.000 0.292 63 G HA3 0.641 4.646 3.960 0.057 -0.011 0.292 63 G C -3.268 171.795 174.900 0.271 0.000 1.450 63 G CA 0.034 45.208 45.100 0.122 0.000 0.837 63 G HN 0.231 8.634 8.290 0.189 0.000 0.505 64 F N -0.745 119.234 119.950 0.048 0.000 2.703 64 F HA 0.210 4.733 4.527 -0.007 0.000 0.308 64 F C -1.321 174.488 175.800 0.016 0.000 1.126 64 F CA -0.055 57.974 58.000 0.048 0.000 0.959 64 F CB 4.375 43.488 39.000 0.188 0.000 1.297 64 F HN -0.018 8.292 8.300 0.189 0.103 0.441 65 K N 2.916 122.991 120.400 -0.542 0.000 3.048 65 K HA -0.320 3.792 4.320 -0.348 0.000 0.274 65 K C -0.597 175.935 176.600 -0.113 0.000 1.098 65 K CA 1.492 57.641 56.287 -0.231 0.000 0.807 65 K CB -1.555 30.995 32.500 0.083 0.000 1.217 65 K HN 0.776 8.149 8.250 -1.461 0.000 0.477 66 G N -4.539 104.187 108.800 -0.123 0.000 2.308 66 G HA2 -0.366 3.543 3.960 -0.085 0.000 0.221 66 G HA3 -0.366 3.555 3.960 -0.066 0.000 0.221 66 G C -0.196 174.681 174.900 -0.038 0.000 1.032 66 G CA -0.311 44.744 45.100 -0.075 0.000 0.623 66 G HN -0.223 7.906 8.290 -0.178 0.054 0.506 67 Q N 0.984 120.778 119.800 -0.010 0.000 2.386 67 Q HA -0.111 4.209 4.340 -0.033 0.000 0.282 67 Q C -0.765 175.231 176.000 -0.007 0.000 1.050 67 Q CA 0.630 56.426 55.803 -0.012 0.000 0.918 67 Q CB 0.620 29.355 28.738 -0.005 0.000 1.266 67 Q HN -0.027 8.164 8.270 0.007 0.084 0.423 68 R N -0.008 120.471 120.500 -0.035 0.000 2.604 68 R HA 0.597 5.065 4.340 -0.028 -0.145 0.281 68 R C -1.737 174.508 176.300 -0.090 0.000 1.020 68 R CA -0.530 55.542 56.100 -0.046 0.000 0.899 68 R CB 3.936 34.212 30.300 -0.040 0.000 1.205 68 R HN 0.309 8.551 8.270 -0.047 0.000 0.450 69 I N 2.937 123.427 120.570 -0.133 0.000 2.447 69 I HA 0.360 4.553 4.170 -0.169 -0.125 0.287 69 I C -1.592 174.403 176.117 -0.205 0.000 1.023 69 I CA -0.993 60.182 61.300 -0.209 0.000 1.083 69 I CB 3.185 40.958 38.000 -0.379 0.000 1.245 69 I HN 1.046 9.078 8.210 -0.116 0.108 0.434 70 K N 6.589 126.885 120.400 -0.172 0.000 2.123 70 K HA 0.525 4.900 4.320 -0.174 -0.159 0.248 70 K C 0.162 176.658 176.600 -0.174 0.000 0.969 70 K CA -1.290 54.899 56.287 -0.164 0.000 0.882 70 K CB 2.308 34.730 32.500 -0.130 0.000 1.080 70 K HN 0.450 8.508 8.250 -0.148 0.104 0.441 71 T N 2.259 116.701 114.554 -0.186 0.000 3.177 71 T HA -0.345 4.154 4.350 -0.263 -0.307 0.439 71 T C 0.170 174.737 174.700 -0.221 0.000 0.771 71 T CA 2.079 64.045 62.100 -0.223 0.000 2.254 71 T CB -2.110 66.639 68.868 -0.199 0.000 1.667 71 T HN 0.282 8.659 8.240 -0.197 -0.255 0.619 72 V N -5.620 114.168 119.914 -0.210 0.000 3.643 72 V HA 0.372 4.391 4.120 -0.169 0.000 0.280 72 V C 1.013 177.066 176.094 -0.069 0.000 1.351 72 V CA 0.867 63.062 62.300 -0.176 0.000 1.073 72 V CB 0.753 32.403 31.823 -0.290 0.000 0.863 72 V HN -0.149 7.916 8.190 -0.208 0.000 0.436 73 E N 1.223 121.382 120.200 -0.069 0.000 2.204 73 E HA -0.411 3.930 4.350 -0.015 0.000 0.195 73 E C 1.360 177.946 176.600 -0.023 0.000 0.990 73 E CA 3.170 59.563 56.400 -0.013 0.000 0.821 73 E CB -1.037 28.722 29.700 0.099 0.000 0.750 73 E HN 0.115 8.354 8.360 -0.125 0.046 0.477 74 H N 0.135 119.150 119.070 -0.092 0.000 2.256 74 H HA -0.214 4.281 4.556 -0.102 0.000 0.301 74 H C 1.788 177.068 175.328 -0.080 0.000 1.062 74 H CA 2.090 58.139 56.048 0.002 0.000 1.283 74 H CB 0.059 29.946 29.762 0.209 0.000 1.379 74 H HN -0.511 7.771 8.280 0.055 0.031 0.493 75 I N -0.294 120.237 120.570 -0.066 0.000 2.151 75 I HA -0.457 3.360 4.170 -0.588 0.000 0.243 75 I C 1.186 177.218 176.117 -0.141 0.000 1.080 75 I CA 2.291 63.385 61.300 -0.343 0.000 1.339 75 I CB -0.165 37.590 38.000 -0.407 0.000 1.039 75 I HN -0.165 8.033 8.210 -0.021 0.000 0.409 76 L N -2.069 119.123 121.223 -0.051 0.000 2.013 76 L HA -0.574 3.706 4.340 -0.101 0.000 0.212 76 L C 2.121 179.051 176.870 0.100 0.000 1.073 76 L CA 3.771 58.603 54.840 -0.013 0.000 0.753 76 L CB -0.739 41.326 42.059 0.010 0.000 0.890 76 L HN -0.084 8.138 8.230 -0.014 0.000 0.432 77 S N -1.456 114.212 115.700 -0.054 0.000 2.368 77 S HA -0.321 4.162 4.470 0.020 0.000 0.225 77 S C 1.929 176.611 174.600 0.137 0.000 1.030 77 S CA 3.394 61.517 58.200 -0.128 0.000 0.999 77 S CB -0.418 62.196 63.200 -0.977 0.000 0.844 77 S HN -0.348 7.691 8.310 -0.150 0.180 0.459 78 V N 1.964 121.995 119.914 0.195 0.000 2.332 78 V HA -0.440 3.940 4.120 0.433 0.000 0.248 78 V C 1.724 177.956 176.094 0.230 0.000 1.055 78 V CA 3.893 66.367 62.300 0.290 0.000 1.038 78 V CB -0.626 31.310 31.823 0.188 0.000 0.651 78 V HN -0.076 8.104 8.190 0.108 0.075 0.450 79 L N -2.205 119.116 121.223 0.165 0.000 2.141 79 L HA -0.449 3.968 4.340 0.129 0.000 0.209 79 L C 2.206 179.305 176.870 0.383 0.000 1.094 79 L CA 3.317 58.279 54.840 0.203 0.000 0.763 79 L CB -1.037 41.080 42.059 0.096 0.000 0.908 79 L HN -0.177 8.110 8.230 0.095 0.000 0.437 80 H N -0.184 119.056 119.070 0.284 0.000 2.387 80 H HA -0.311 4.086 4.556 -0.265 0.000 0.299 80 H C 2.218 177.594 175.328 0.080 0.000 1.090 80 H CA 2.715 58.759 56.048 -0.006 0.000 1.332 80 H CB 0.629 30.317 29.762 -0.123 0.000 1.386 80 H HN -0.223 8.225 8.280 0.459 0.108 0.516 81 L N -2.952 118.446 121.223 0.291 0.000 2.131 81 L HA -0.194 4.326 4.340 0.255 -0.027 0.206 81 L C 1.633 178.686 176.870 0.305 0.000 1.087 81 L CA 2.532 57.550 54.840 0.295 0.000 0.767 81 L CB 0.479 42.751 42.059 0.354 0.000 0.917 81 L HN -0.255 8.063 8.230 0.307 0.097 0.441 82 L N -4.861 116.513 121.223 0.252 0.000 2.599 82 L HA -0.084 4.329 4.340 0.122 0.000 0.230 82 L C -0.558 176.393 176.870 0.134 0.000 1.141 82 L CA 0.213 55.131 54.840 0.130 0.000 0.877 82 L CB -0.005 42.056 42.059 0.005 0.000 1.009 82 L HN -0.249 8.067 8.230 0.261 0.071 0.447 83 E N -6.472 113.840 120.200 0.187 0.000 2.389 83 E HA -0.405 4.052 4.350 0.179 0.000 0.243 83 E C -1.267 175.404 176.600 0.118 0.000 1.154 83 E CA 0.884 57.385 56.400 0.169 0.000 0.723 83 E CB -2.909 26.903 29.700 0.185 0.000 1.261 83 E HN -0.399 7.901 8.360 0.230 0.198 0.390 84 I N -3.239 117.408 120.570 0.127 0.000 2.472 84 I HA -0.104 4.181 4.170 0.036 -0.093 0.290 84 I C -0.102 176.051 176.117 0.059 0.000 1.016 84 I CA -1.227 60.108 61.300 0.060 0.000 1.348 84 I CB 0.100 38.110 38.000 0.017 0.000 1.417 84 I HN -0.408 7.907 8.210 0.175 0.000 0.521 85 T N 0.431 114.983 114.554 -0.003 0.000 2.992 85 T HA 0.203 4.545 4.350 -0.014 0.000 0.255 85 T C -0.936 173.713 174.700 -0.085 0.000 0.938 85 T CA -0.527 61.553 62.100 -0.034 0.000 0.895 85 T CB 2.233 71.078 68.868 -0.038 0.000 1.221 85 T HN 0.648 8.880 8.240 -0.013 0.000 0.512 86 N N 2.373 121.028 118.700 -0.075 0.000 2.531 86 N HA 0.508 5.370 4.740 -0.105 -0.185 0.268 86 N C -2.334 173.125 175.510 -0.086 0.000 1.023 86 N CA 0.364 53.364 53.050 -0.084 0.000 0.896 86 N CB 2.509 40.961 38.487 -0.057 0.000 1.233 86 N HN -0.669 7.679 8.380 -0.054 0.000 0.512 87 V N -1.912 117.931 119.914 -0.119 0.000 3.177 87 V HA 0.514 4.598 4.120 -0.060 0.000 0.287 87 V C -2.317 173.697 176.094 -0.134 0.000 1.465 87 V CA -1.069 61.167 62.300 -0.106 0.000 1.020 87 V CB 3.829 35.580 31.823 -0.121 0.000 1.152 87 V HN 0.617 8.717 8.190 -0.150 0.000 0.448 88 T N 4.909 119.423 114.554 -0.066 0.000 2.809 88 T HA 0.656 5.155 4.350 -0.106 -0.213 0.296 88 T C -1.026 173.656 174.700 -0.031 0.000 1.015 88 T CA -0.025 62.048 62.100 -0.045 0.000 0.954 88 T CB 1.136 70.032 68.868 0.047 0.000 0.950 88 T HN 0.299 8.529 8.240 -0.016 0.000 0.450 89 I N 8.399 128.876 120.570 -0.155 0.000 2.281 89 I HA 0.054 4.247 4.170 0.038 0.000 0.293 89 I C -1.449 174.775 176.117 0.178 0.000 1.085 89 I CA -0.474 60.800 61.300 -0.042 0.000 1.257 89 I CB -0.225 37.611 38.000 -0.274 0.000 1.430 89 I HN 1.083 8.986 8.210 -0.339 0.104 0.489 90 E N 9.237 129.577 120.200 0.235 0.000 2.290 90 E HA 0.169 5.027 4.350 0.395 -0.271 0.277 90 E C -1.141 175.618 176.600 0.265 0.000 1.035 90 E CA -0.530 56.057 56.400 0.312 0.000 0.873 90 E CB 1.208 31.078 29.700 0.285 0.000 1.029 90 E HN 0.424 8.923 8.360 0.232 0.000 0.419 91 V N 7.425 127.472 119.914 0.223 0.000 2.417 91 V HA 0.231 4.448 4.120 0.161 0.000 0.291 91 V C -0.714 175.434 176.094 0.089 0.000 1.024 91 V CA -1.236 61.150 62.300 0.143 0.000 0.861 91 V CB 1.724 33.597 31.823 0.085 0.000 0.985 91 V HN 0.173 8.492 8.190 0.214 0.000 0.436 92 I N 6.999 127.618 120.570 0.083 0.000 2.347 92 I HA 0.205 4.411 4.170 0.060 0.000 0.283 92 I C -1.016 175.121 176.117 0.032 0.000 1.058 92 I CA -2.229 59.111 61.300 0.066 0.000 1.202 92 I CB -2.335 35.724 38.000 0.098 0.000 1.386 92 I HN 0.806 9.070 8.210 0.090 0.000 0.475 93 G N 7.599 116.407 108.800 0.014 0.000 2.278 93 G HA2 -0.130 3.839 3.960 0.015 0.000 0.265 93 G HA3 -0.130 3.825 3.960 -0.008 0.000 0.265 93 G C -1.804 173.083 174.900 -0.023 0.000 1.329 93 G CA -0.016 45.084 45.100 0.001 0.000 1.017 93 G HN -0.248 8.048 8.290 0.009 0.000 0.472 94 N N 1.507 120.188 118.700 -0.031 0.000 2.166 94 N HA 0.273 4.979 4.740 -0.057 0.000 0.213 94 N C -1.393 174.076 175.510 -0.068 0.000 1.222 94 N CA 0.088 53.109 53.050 -0.049 0.000 0.900 94 N CB 3.179 41.642 38.487 -0.040 0.000 1.055 94 N HN 0.119 8.484 8.380 -0.025 0.000 0.515 95 E N -1.549 118.616 120.200 -0.059 0.000 2.356 95 E HA 0.169 4.672 4.350 -0.097 -0.211 0.275 95 E C -1.767 174.799 176.600 -0.057 0.000 0.904 95 E CA -1.522 54.838 56.400 -0.068 0.000 0.757 95 E CB 2.891 32.567 29.700 -0.040 0.000 1.232 95 E HN -0.912 7.420 8.360 -0.047 0.000 0.442 96 I N 2.929 123.461 120.570 -0.064 0.000 2.517 96 I HA 0.195 4.375 4.170 0.017 0.000 0.285 96 I C -1.576 174.570 176.117 0.049 0.000 1.106 96 I CA -4.040 57.258 61.300 -0.003 0.000 1.402 96 I CB -1.372 36.614 38.000 -0.024 0.000 1.399 96 I HN 0.023 8.173 8.210 -0.099 0.000 0.535 97 P HA -0.144 4.409 4.420 0.001 -0.133 0.259 97 P C -1.119 176.275 177.300 0.156 0.000 1.163 97 P CA 0.719 63.859 63.100 0.067 0.000 0.760 97 P CB -0.111 31.620 31.700 0.052 0.000 0.762 98 I N 3.799 124.433 120.570 0.106 0.000 3.111 98 I HA -0.165 4.172 4.170 0.277 0.000 0.272 98 I C 0.269 176.496 176.117 0.184 0.000 1.268 98 I CA -1.434 59.970 61.300 0.173 0.000 1.467 98 I CB 0.922 38.967 38.000 0.074 0.000 1.087 98 I HN 0.019 8.257 8.210 0.047 0.000 0.467 99 L N -3.134 118.161 121.223 0.119 0.000 6.079 99 L HA -0.518 3.856 4.340 0.056 0.000 0.053 99 L C -0.443 176.473 176.870 0.077 0.000 2.483 99 L CA 2.141 57.032 54.840 0.085 0.000 1.581 99 L CB -2.166 39.942 42.059 0.081 0.000 2.843 99 L HN -0.571 7.663 8.230 0.093 0.052 1.020 100 D N -0.164 120.287 120.400 0.085 0.000 2.340 100 D HA 0.002 4.666 4.640 0.041 0.000 0.217 100 D C 1.379 177.712 176.300 0.055 0.000 1.081 100 D CA -0.168 53.868 54.000 0.059 0.000 0.842 100 D CB 0.733 41.569 40.800 0.060 0.000 0.934 100 D HN 0.036 8.467 8.370 0.102 0.000 0.511 101 G N 0.145 109.002 108.800 0.095 0.000 2.176 101 G HA2 -0.437 3.608 3.960 0.141 0.000 0.232 101 G HA3 -0.437 3.652 3.960 0.031 -0.111 0.232 101 G C -1.406 173.567 174.900 0.121 0.000 0.986 101 G CA 1.011 46.169 45.100 0.097 0.000 0.643 101 G HN 0.484 8.680 8.290 0.131 0.172 0.522 102 S N -1.101 114.653 115.700 0.089 0.000 2.841 102 S HA 0.590 5.152 4.470 -0.039 -0.116 0.318 102 S C -0.820 173.758 174.600 -0.036 0.000 1.127 102 S CA -2.092 56.099 58.200 -0.016 0.000 0.883 102 S CB 2.992 66.187 63.200 -0.008 0.000 1.271 102 S HN -0.807 7.498 8.310 0.105 0.068 0.567 103 G N -2.585 106.103 108.800 -0.187 0.000 3.651 103 G HA2 0.414 4.538 3.960 0.272 0.000 0.279 103 G HA3 0.414 4.345 3.960 -0.049 0.000 0.279 103 G C -0.056 174.934 174.900 0.150 0.000 1.024 103 G CA -0.405 44.719 45.100 0.040 0.000 0.813 103 G HN 0.240 8.306 8.290 -0.373 0.000 0.518 104 W N 2.302 123.581 121.300 -0.036 0.000 2.338 104 W HA -0.425 4.242 4.660 0.011 0.000 0.304 104 W C -0.137 176.462 176.519 0.135 0.000 1.212 104 W CA 4.061 61.423 57.345 0.028 0.000 1.264 104 W CB -0.062 29.388 29.460 -0.016 0.000 1.142 104 W HN -0.395 7.855 8.180 0.223 0.064 0.512 105 E N -1.625 118.568 120.200 -0.012 0.000 2.017 105 E HA -0.424 3.736 4.350 -0.317 0.000 0.193 105 E C 2.355 178.925 176.600 -0.050 0.000 0.997 105 E CA 3.324 59.643 56.400 -0.136 0.000 0.804 105 E CB -0.550 29.131 29.700 -0.033 0.000 0.757 105 E HN 0.136 8.622 8.360 0.210 0.000 0.448 106 F N -1.629 118.338 119.950 0.029 0.000 2.091 106 F HA -0.353 4.053 4.527 -0.202 0.000 0.299 106 F C 1.994 177.772 175.800 -0.036 0.000 1.103 106 F CA 3.602 61.538 58.000 -0.107 0.000 1.228 106 F CB -0.392 38.492 39.000 -0.194 0.000 0.984 106 F HN -0.349 7.978 8.300 0.045 0.000 0.477 107 Y N -0.273 120.068 120.300 0.067 0.000 2.145 107 Y HA -0.569 4.006 4.550 0.042 0.000 0.286 107 Y C 1.810 177.624 175.900 -0.143 0.000 1.145 107 Y CA 3.804 61.888 58.100 -0.026 0.000 1.148 107 Y CB 0.083 38.514 38.460 -0.049 0.000 0.981 107 Y HN 0.069 8.535 8.280 0.314 0.002 0.507 108 E N -1.899 118.173 120.200 -0.213 0.000 2.072 108 E HA -0.446 3.720 4.350 -0.307 0.000 0.191 108 E C 2.385 178.871 176.600 -0.191 0.000 0.985 108 E CA 3.208 59.398 56.400 -0.350 0.000 0.801 108 E CB -0.215 29.075 29.700 -0.683 0.000 0.750 108 E HN -0.208 7.983 8.360 -0.281 0.000 0.452 109 A N -0.305 122.475 122.820 -0.068 0.000 1.855 109 A HA -0.196 4.102 4.320 -0.037 0.000 0.215 109 A C 2.369 179.991 177.584 0.063 0.000 1.191 109 A CA 3.081 55.141 52.037 0.040 0.000 0.613 109 A CB -0.406 18.730 19.000 0.227 0.000 0.829 109 A HN 0.180 8.302 8.150 -0.046 0.000 0.442 110 I N -2.529 118.104 120.570 0.105 0.000 2.394 110 I HA -0.470 3.751 4.170 0.085 0.000 0.251 110 I C 2.165 178.225 176.117 -0.095 0.000 1.136 110 I CA 3.504 64.826 61.300 0.038 0.000 1.425 110 I CB -0.303 37.716 38.000 0.032 0.000 1.079 110 I HN -0.228 8.072 8.210 0.151 0.000 0.425 111 R N 0.930 121.296 120.500 -0.223 0.000 2.081 111 R HA -0.291 3.883 4.340 -0.278 0.000 0.235 111 R C 1.757 177.973 176.300 -0.141 0.000 1.131 111 R CA 3.425 59.355 56.100 -0.283 0.000 0.960 111 R CB -0.050 29.962 30.300 -0.479 0.000 0.856 111 R HN 0.048 8.051 8.270 -0.255 0.115 0.436 112 K N -4.374 115.962 120.400 -0.107 0.000 2.569 112 K HA -0.072 4.216 4.320 -0.053 0.000 0.193 112 K C 0.593 177.166 176.600 -0.046 0.000 1.026 112 K CA 1.351 57.600 56.287 -0.062 0.000 1.093 112 K CB -0.829 31.638 32.500 -0.055 0.000 0.849 112 K HN -0.357 7.821 8.250 -0.120 0.000 0.509 113 N N -1.567 117.105 118.700 -0.045 0.000 2.475 113 N HA 0.208 4.931 4.740 -0.028 0.000 0.272 113 N C -2.127 173.367 175.510 -0.027 0.000 1.482 113 N CA -0.083 52.950 53.050 -0.030 0.000 0.863 113 N CB 2.662 41.136 38.487 -0.021 0.000 1.400 113 N HN -0.292 7.826 8.380 -0.060 0.226 0.489 114 I N 0.825 121.375 120.570 -0.033 0.000 2.575 114 I HA 0.032 4.303 4.170 -0.023 -0.116 0.285 114 I C -1.856 174.254 176.117 -0.013 0.000 1.085 114 I CA 1.105 62.390 61.300 -0.025 0.000 1.403 114 I CB 1.072 39.054 38.000 -0.030 0.000 1.409 114 I HN -0.826 7.359 8.210 -0.042 0.000 0.557 115 L N 6.041 127.259 121.223 -0.008 0.000 2.376 115 L HA 0.503 4.842 4.340 -0.002 0.000 0.275 115 L C -2.373 174.499 176.870 0.003 0.000 0.987 115 L CA -1.412 53.426 54.840 -0.003 0.000 0.828 115 L CB 3.604 45.659 42.059 -0.006 0.000 1.249 115 L HN 0.850 8.990 8.230 -0.008 0.085 0.409 116 N N 4.378 123.082 118.700 0.008 0.000 2.530 116 N HA 0.087 4.839 4.740 0.019 0.000 0.273 116 N C -0.714 174.803 175.510 0.012 0.000 1.173 116 N CA -0.446 52.613 53.050 0.015 0.000 0.967 116 N CB 0.920 39.420 38.487 0.020 0.000 1.109 116 N HN 0.338 8.722 8.380 0.007 0.000 0.453 117 Q N 0.352 120.160 119.800 0.013 0.000 2.699 117 Q HA 0.140 4.483 4.340 0.006 0.000 0.240 117 Q C -0.889 175.119 176.000 0.014 0.000 1.033 117 Q CA -1.646 54.162 55.803 0.009 0.000 0.938 117 Q CB 2.581 31.321 28.738 0.003 0.000 1.312 117 Q HN 0.422 8.703 8.270 0.018 0.000 0.507 118 N N 0.587 119.294 118.700 0.011 0.000 3.114 118 N HA 0.089 4.840 4.740 0.018 0.000 0.289 118 N C -1.360 174.159 175.510 0.015 0.000 1.519 118 N CA -0.146 52.912 53.050 0.014 0.000 1.026 118 N CB -0.594 37.898 38.487 0.010 0.000 1.306 118 N HN 0.416 8.800 8.380 0.006 0.000 0.495 119 R N -0.324 120.188 120.500 0.020 0.000 2.633 119 R HA 0.021 4.374 4.340 0.022 0.000 0.256 119 R C -2.317 174.003 176.300 0.035 0.000 1.131 119 R CA -0.222 55.890 56.100 0.021 0.000 0.994 119 R CB 3.231 33.537 30.300 0.011 0.000 1.261 119 R HN -0.461 7.824 8.270 0.025 0.000 0.446 120 E N 5.190 125.417 120.200 0.045 0.000 2.392 120 E HA 0.245 4.856 4.350 0.092 -0.206 0.264 120 E C -0.472 176.169 176.600 0.068 0.000 1.024 120 E CA 0.525 56.970 56.400 0.075 0.000 0.903 120 E CB 0.820 30.567 29.700 0.079 0.000 0.963 120 E HN 0.254 8.637 8.360 0.039 0.000 0.432 121 I N 4.149 124.775 120.570 0.092 0.000 2.532 121 I HA -0.009 4.139 4.170 -0.036 0.000 0.292 121 I C -0.398 175.736 176.117 0.028 0.000 1.014 121 I CA -0.044 61.242 61.300 -0.022 0.000 1.340 121 I CB 1.304 39.159 38.000 -0.241 0.000 1.422 121 I HN 0.246 8.556 8.210 0.168 0.000 0.528 122 D N 5.568 125.956 120.400 -0.020 0.000 2.563 122 D HA 0.097 4.806 4.640 0.115 0.000 0.222 122 D C -0.639 175.701 176.300 0.066 0.000 1.145 122 D CA -1.218 52.818 54.000 0.060 0.000 1.001 122 D CB -0.655 40.176 40.800 0.053 0.000 1.049 122 D HN 0.346 8.682 8.370 -0.056 0.000 0.515 123 Y N 1.965 122.315 120.300 0.083 0.000 2.702 123 Y HA -0.379 4.359 4.550 0.127 -0.112 0.336 123 Y C 0.057 176.045 175.900 0.146 0.000 1.235 123 Y CA 1.701 59.869 58.100 0.114 0.000 1.492 123 Y CB 0.462 38.976 38.460 0.091 0.000 1.308 123 Y HN -0.532 7.973 8.280 0.431 0.034 0.589 124 F N 5.321 125.390 119.950 0.199 0.000 2.405 124 F HA 0.191 4.803 4.527 0.142 0.000 0.358 124 F C -1.663 174.256 175.800 0.198 0.000 1.151 124 F CA -0.473 57.626 58.000 0.165 0.000 1.161 124 F CB 0.280 39.361 39.000 0.134 0.000 1.245 124 F HN 1.035 9.481 8.300 0.430 0.112 0.545 125 V N 8.352 128.174 119.914 -0.152 0.000 2.465 125 V HA 0.261 4.656 4.120 0.137 -0.193 0.279 125 V C -0.174 175.820 176.094 -0.167 0.000 1.045 125 V CA -1.133 61.141 62.300 -0.043 0.000 0.938 125 V CB 1.166 32.963 31.823 -0.044 0.000 0.986 125 V HN -0.150 7.882 8.190 -0.262 0.000 0.467 126 V N 8.094 128.031 119.914 0.038 0.000 2.421 126 V HA -0.230 3.925 4.120 0.058 0.000 0.271 126 V C -0.350 175.716 176.094 -0.046 0.000 1.031 126 V CA 1.500 63.820 62.300 0.033 0.000 1.032 126 V CB -0.365 31.482 31.823 0.039 0.000 1.009 126 V HN 0.221 8.489 8.190 0.130 0.000 0.477 127 E N 7.517 127.674 120.200 -0.071 0.000 2.276 127 E HA -0.109 4.205 4.350 -0.060 0.000 0.193 127 E C -0.793 175.785 176.600 -0.036 0.000 0.983 127 E CA 1.522 57.886 56.400 -0.061 0.000 0.861 127 E CB 0.686 30.342 29.700 -0.074 0.000 0.817 127 E HN 0.428 8.734 8.360 -0.090 0.000 0.485 128 E N -2.663 117.525 120.200 -0.019 0.000 2.343 128 E HA 0.332 4.669 4.350 -0.022 0.000 0.270 128 E C -2.360 174.236 176.600 -0.007 0.000 0.895 128 E CA -3.345 53.048 56.400 -0.012 0.000 0.767 128 E CB 1.164 30.864 29.700 0.000 0.000 1.248 128 E HN -0.409 7.947 8.360 -0.007 0.000 0.440 129 P HA 0.213 4.800 4.420 -0.041 -0.192 0.275 129 P C -1.676 175.628 177.300 0.007 0.000 1.228 129 P CA -0.582 62.506 63.100 -0.020 0.000 0.786 129 P CB 1.273 32.956 31.700 -0.028 0.000 0.927 130 I N 0.797 121.378 120.570 0.018 0.000 2.841 130 I HA 0.353 4.543 4.170 0.034 0.000 0.298 130 I C -2.549 173.599 176.117 0.052 0.000 1.304 130 I CA -0.845 60.480 61.300 0.043 0.000 1.019 130 I CB 3.381 41.423 38.000 0.071 0.000 1.282 130 I HN 0.492 8.704 8.210 0.003 0.000 0.432 131 I N 4.680 125.281 120.570 0.052 0.000 2.722 131 I HA 0.962 5.399 4.170 0.082 -0.218 0.295 131 I C -1.045 175.107 176.117 0.059 0.000 1.161 131 I CA -1.501 59.837 61.300 0.062 0.000 1.032 131 I CB 3.803 41.831 38.000 0.047 0.000 1.244 131 I HN 0.165 8.402 8.210 0.044 0.000 0.421 132 V N 0.758 120.714 119.914 0.069 0.000 2.823 132 V HA 0.509 4.658 4.120 0.049 0.000 0.312 132 V C -1.745 174.385 176.094 0.060 0.000 1.072 132 V CA -2.119 60.217 62.300 0.059 0.000 0.937 132 V CB 3.779 35.640 31.823 0.062 0.000 1.013 132 V HN 0.638 8.879 8.190 0.083 0.000 0.430 133 E N 2.757 122.987 120.200 0.050 0.000 2.369 133 E HA 0.836 5.422 4.350 0.067 -0.196 0.270 133 E C -1.697 174.934 176.600 0.051 0.000 0.909 133 E CA -1.549 54.883 56.400 0.053 0.000 0.775 133 E CB 4.022 33.745 29.700 0.038 0.000 1.270 133 E HN 0.208 8.594 8.360 0.043 0.000 0.445 134 D N -0.356 120.079 120.400 0.059 0.000 2.219 134 D HA -0.024 4.642 4.640 0.043 0.000 0.191 134 D C -1.416 174.921 176.300 0.061 0.000 1.272 134 D CA 0.419 54.451 54.000 0.053 0.000 0.873 134 D CB 1.498 42.329 40.800 0.051 0.000 1.730 134 D HN 0.176 8.588 8.370 0.071 0.000 0.519 135 E N 3.475 123.707 120.200 0.052 0.000 2.252 135 E HA -0.379 3.998 4.350 0.045 0.000 0.218 135 E C -0.379 176.270 176.600 0.082 0.000 1.253 135 E CA 0.497 56.930 56.400 0.055 0.000 0.705 135 E CB -1.180 28.550 29.700 0.050 0.000 1.172 135 E HN 0.547 8.933 8.360 0.043 0.000 0.369 136 G N -5.336 103.519 108.800 0.092 0.000 2.396 136 G HA2 -0.383 3.641 3.960 0.107 0.000 0.242 136 G HA3 -0.383 3.690 3.960 0.188 0.000 0.242 136 G C -0.381 174.676 174.900 0.262 0.000 1.069 136 G CA -0.084 45.111 45.100 0.158 0.000 0.633 136 G HN -0.082 8.248 8.290 0.067 0.000 0.517 137 R N 2.612 123.225 120.500 0.189 0.000 2.570 137 R HA -0.017 4.660 4.340 0.240 -0.194 0.277 137 R C -1.379 175.029 176.300 0.181 0.000 1.039 137 R CA 0.410 56.623 56.100 0.188 0.000 1.065 137 R CB 0.645 31.002 30.300 0.096 0.000 0.964 137 R HN -0.370 7.776 8.270 0.129 0.202 0.428 138 L N 2.794 124.145 121.223 0.213 0.000 2.482 138 L HA 0.956 5.562 4.340 0.104 -0.203 0.263 138 L C -2.464 174.470 176.870 0.107 0.000 0.957 138 L CA -1.109 53.815 54.840 0.140 0.000 0.836 138 L CB 4.473 46.600 42.059 0.114 0.000 1.324 138 L HN 0.332 8.723 8.230 0.268 0.000 0.406 139 I N 4.255 124.886 120.570 0.101 0.000 2.512 139 I HA 0.657 5.060 4.170 0.062 -0.196 0.287 139 I C -2.180 174.029 176.117 0.152 0.000 1.069 139 I CA -1.052 60.311 61.300 0.105 0.000 1.056 139 I CB 3.792 41.851 38.000 0.098 0.000 1.229 139 I HN 0.729 8.998 8.210 0.099 0.000 0.429 140 K N 7.736 128.261 120.400 0.208 0.000 2.244 140 K HA 0.718 5.257 4.320 0.115 -0.150 0.260 140 K C -2.239 174.434 176.600 0.122 0.000 0.951 140 K CA -2.002 54.380 56.287 0.158 0.000 0.826 140 K CB 3.668 36.261 32.500 0.155 0.000 1.108 140 K HN 0.711 9.122 8.250 0.268 0.000 0.433 141 A N 6.003 128.846 122.820 0.038 0.000 2.355 141 A HA 0.968 5.233 4.320 -0.351 -0.156 0.317 141 A C -2.233 175.219 177.584 -0.220 0.000 1.094 141 A CA -2.117 49.815 52.037 -0.176 0.000 0.764 141 A CB 3.594 22.583 19.000 -0.018 0.000 1.230 141 A HN 1.041 9.222 8.150 0.051 0.000 0.448 142 E N -0.047 119.935 120.200 -0.365 0.000 2.392 142 E HA 0.480 4.742 4.350 -0.146 0.000 0.279 142 E C -2.957 173.501 176.600 -0.237 0.000 0.964 142 E CA -3.273 52.999 56.400 -0.213 0.000 0.777 142 E CB 1.520 31.137 29.700 -0.138 0.000 1.249 142 E HN 0.432 8.426 8.360 -0.610 0.000 0.449 143 P HA -0.067 4.396 4.420 -0.090 -0.097 0.264 143 P C -1.187 176.055 177.300 -0.097 0.000 1.179 143 P CA 1.115 64.154 63.100 -0.101 0.000 0.763 143 P CB 0.197 31.857 31.700 -0.067 0.000 0.806 144 S N 0.933 116.592 115.700 -0.068 0.000 2.533 144 S HA 0.060 4.498 4.470 -0.055 0.000 0.271 144 S C -0.073 174.510 174.600 -0.029 0.000 1.143 144 S CA -1.278 56.892 58.200 -0.049 0.000 0.891 144 S CB 1.566 64.739 63.200 -0.045 0.000 1.105 144 S HN -0.403 7.878 8.310 -0.047 0.000 0.468 145 D N 4.396 124.775 120.400 -0.036 0.000 2.403 145 D HA -0.098 4.518 4.640 -0.042 0.000 0.227 145 D C -0.911 175.365 176.300 -0.041 0.000 0.995 145 D CA 1.729 55.706 54.000 -0.040 0.000 0.928 145 D CB 0.262 41.037 40.800 -0.042 0.000 0.887 145 D HN 0.500 8.846 8.370 -0.040 0.000 0.529 146 T N -9.053 105.488 114.554 -0.022 0.000 2.648 146 T HA 0.016 4.347 4.350 -0.033 0.000 0.304 146 T C -1.891 172.838 174.700 0.049 0.000 1.312 146 T CA -1.640 60.450 62.100 -0.016 0.000 1.023 146 T CB 2.360 71.201 68.868 -0.046 0.000 1.612 146 T HN -0.840 7.292 8.240 -0.014 0.099 0.487 147 L N 1.733 122.990 121.223 0.056 0.000 2.265 147 L HA 0.593 5.373 4.340 0.285 -0.269 0.288 147 L C -1.815 175.097 176.870 0.070 0.000 1.058 147 L CA -0.453 54.475 54.840 0.147 0.000 0.809 147 L CB 1.445 43.577 42.059 0.121 0.000 1.179 147 L HN 0.162 8.618 8.230 0.011 -0.219 0.429 148 E N 7.930 128.247 120.200 0.195 0.000 2.283 148 E HA 0.562 5.050 4.350 -0.078 -0.185 0.258 148 E C -2.310 174.477 176.600 0.313 0.000 0.893 148 E CA -1.489 54.973 56.400 0.104 0.000 0.798 148 E CB 3.633 33.350 29.700 0.028 0.000 1.242 148 E HN 0.922 9.506 8.360 0.372 0.000 0.414 149 V N 8.309 128.424 119.914 0.335 0.000 2.409 149 V HA 0.440 4.954 4.120 0.415 -0.145 0.291 149 V C -0.932 175.324 176.094 0.270 0.000 1.020 149 V CA -1.113 61.396 62.300 0.348 0.000 0.848 149 V CB 1.644 33.631 31.823 0.273 0.000 0.990 149 V HN 0.527 8.935 8.190 0.363 0.000 0.430 150 T N 9.496 124.191 114.554 0.237 0.000 2.918 150 T HA 0.724 5.306 4.350 0.131 -0.153 0.286 150 T C -1.781 173.022 174.700 0.172 0.000 1.026 150 T CA -1.242 60.969 62.100 0.184 0.000 1.031 150 T CB 2.626 71.626 68.868 0.220 0.000 1.046 150 T HN 1.048 9.338 8.240 0.277 0.116 0.479 151 Y N 4.672 125.009 120.300 0.061 0.000 2.421 151 Y HA 0.438 5.057 4.550 -0.165 -0.167 0.339 151 Y C -2.971 172.935 175.900 0.010 0.000 0.996 151 Y CA -1.204 56.883 58.100 -0.021 0.000 1.046 151 Y CB 4.161 42.655 38.460 0.056 0.000 1.226 151 Y HN 0.582 9.024 8.280 0.270 0.000 0.445 152 E N 7.200 127.061 120.200 -0.564 0.000 2.238 152 E HA 0.794 5.370 4.350 0.091 -0.171 0.267 152 E C -2.331 173.976 176.600 -0.488 0.000 0.887 152 E CA -2.454 53.829 56.400 -0.195 0.000 0.769 152 E CB 4.957 34.699 29.700 0.070 0.000 1.187 152 E HN 0.963 8.479 8.360 -1.227 0.108 0.416 153 G N 2.476 111.137 108.800 -0.231 0.000 2.701 153 G HA2 0.337 3.851 3.960 -0.743 0.000 0.300 153 G HA3 0.337 4.021 3.960 -0.460 0.000 0.300 153 G C -3.143 171.364 174.900 -0.655 0.000 1.410 153 G CA -0.165 44.614 45.100 -0.534 0.000 1.014 153 G HN 0.699 8.968 8.290 -0.036 0.000 0.509 154 E N 4.464 124.271 120.200 -0.656 0.000 2.028 154 E HA 0.127 4.353 4.350 -0.205 0.000 0.266 154 E C -1.018 175.350 176.600 -0.387 0.000 0.962 154 E CA -1.452 54.735 56.400 -0.354 0.000 0.784 154 E CB 0.123 29.729 29.700 -0.156 0.000 1.114 154 E HN 0.289 8.208 8.360 -0.734 0.000 0.414 155 F N 8.192 128.147 119.950 0.007 0.000 2.375 155 F HA -0.024 4.505 4.527 0.002 0.000 0.313 155 F C 0.350 176.113 175.800 -0.062 0.000 1.176 155 F CA -0.540 57.454 58.000 -0.011 0.000 1.142 155 F CB 1.440 40.450 39.000 0.017 0.000 1.275 155 F HN 0.431 8.598 8.300 -0.067 0.093 0.544 156 K N -1.423 119.035 120.400 0.096 0.000 2.354 156 K HA -0.106 4.188 4.320 -0.044 0.000 0.194 156 K C -0.653 175.983 176.600 0.060 0.000 1.038 156 K CA 0.360 56.613 56.287 -0.056 0.000 1.052 156 K CB 0.566 32.839 32.500 -0.379 0.000 0.861 156 K HN 0.177 8.487 8.250 0.099 0.000 0.535 157 N N -3.540 115.290 118.700 0.216 0.000 2.643 157 N HA 0.009 4.995 4.740 0.319 -0.055 0.305 157 N C 1.356 177.003 175.510 0.228 0.000 1.283 157 N CA -2.213 51.035 53.050 0.331 0.000 0.946 157 N CB 0.932 39.745 38.487 0.542 0.000 1.149 157 N HN -0.902 7.610 8.380 0.220 0.000 0.600 158 F N -4.044 116.000 119.950 0.157 0.000 2.500 158 F HA -0.179 4.411 4.527 0.106 0.000 0.294 158 F C -0.360 175.511 175.800 0.118 0.000 1.101 158 F CA 1.004 59.074 58.000 0.117 0.000 1.484 158 F CB -1.002 38.054 39.000 0.093 0.000 1.110 158 F HN -0.157 8.621 8.300 0.796 0.000 0.603 159 L N -0.943 119.862 121.223 -0.696 0.000 2.240 159 L HA -0.223 3.658 4.340 -0.766 0.000 0.211 159 L C 1.128 177.973 176.870 -0.042 0.000 1.106 159 L CA 0.343 54.847 54.840 -0.561 0.000 0.793 159 L CB 0.446 42.167 42.059 -0.564 0.000 0.927 159 L HN -0.760 7.287 8.230 -0.436 -0.078 0.446 160 G N -0.605 108.239 108.800 0.072 0.000 2.614 160 G HA2 -0.452 3.575 3.960 0.112 0.000 0.303 160 G HA3 -0.452 3.564 3.960 0.093 0.000 0.303 160 G C -2.075 172.933 174.900 0.179 0.000 1.270 160 G CA 0.452 45.624 45.100 0.121 0.000 0.988 160 G HN 0.031 8.229 8.290 0.055 0.125 0.551 161 R N 2.264 122.840 120.500 0.127 0.000 2.312 161 R HA 0.546 5.147 4.340 0.056 -0.227 0.311 161 R C -0.268 176.127 176.300 0.158 0.000 1.004 161 R CA -0.237 55.929 56.100 0.110 0.000 0.902 161 R CB 1.704 32.059 30.300 0.091 0.000 1.073 161 R HN 0.065 8.398 8.270 0.105 0.000 0.457 162 Q N 4.341 124.259 119.800 0.195 0.000 2.416 162 Q HA 0.408 4.856 4.340 0.180 0.000 0.281 162 Q C -2.493 173.650 176.000 0.238 0.000 1.067 162 Q CA -1.299 54.640 55.803 0.226 0.000 0.809 162 Q CB 5.044 33.949 28.738 0.277 0.000 1.418 162 Q HN 0.530 8.885 8.270 0.142 0.000 0.411 163 K N -1.111 119.436 120.400 0.244 0.000 2.551 163 K HA 0.979 5.687 4.320 0.323 -0.194 0.269 163 K C -1.970 174.838 176.600 0.346 0.000 0.949 163 K CA -1.479 54.976 56.287 0.281 0.000 0.849 163 K CB 3.594 36.233 32.500 0.230 0.000 1.411 163 K HN 0.126 8.509 8.250 0.223 0.000 0.432 164 F N 1.049 121.108 119.950 0.182 0.000 2.619 164 F HA 0.332 4.928 4.527 0.115 0.000 0.308 164 F C -2.652 173.250 175.800 0.169 0.000 1.097 164 F CA -0.614 57.471 58.000 0.142 0.000 0.953 164 F CB 3.923 42.988 39.000 0.109 0.000 1.287 164 F HN 0.384 8.918 8.300 0.389 0.000 0.446 165 T N 7.485 121.364 114.554 -1.125 0.000 2.770 165 T HA 0.173 4.328 4.350 -0.325 0.000 0.283 165 T C -1.796 172.276 174.700 -1.046 0.000 0.988 165 T CA -0.170 61.488 62.100 -0.735 0.000 0.957 165 T CB 0.438 69.084 68.868 -0.371 0.000 0.930 165 T HN 0.082 7.550 8.240 -1.287 0.000 0.443 166 F N 9.680 129.322 119.950 -0.512 0.000 2.385 166 F HA 0.279 4.698 4.527 -0.180 0.000 0.360 166 F C -2.939 172.812 175.800 -0.083 0.000 1.122 166 F CA -1.332 56.559 58.000 -0.181 0.000 1.090 166 F CB 1.710 40.756 39.000 0.076 0.000 1.150 166 F HN 0.684 8.855 8.300 -0.039 0.105 0.472 167 V N 6.637 126.010 119.914 -0.901 0.000 2.850 167 V HA 0.260 3.984 4.120 -0.660 0.000 0.315 167 V C -0.693 174.817 176.094 -0.973 0.000 1.064 167 V CA -2.658 59.173 62.300 -0.781 0.000 0.979 167 V CB 2.805 34.410 31.823 -0.362 0.000 1.039 167 V HN 0.251 8.097 8.190 -0.573 0.000 0.452 168 E N 3.829 123.677 120.200 -0.587 0.000 2.585 168 E HA -0.508 3.671 4.350 -0.285 0.000 0.252 168 E C 0.347 176.842 176.600 -0.175 0.000 0.981 168 E CA 2.009 58.225 56.400 -0.307 0.000 0.943 168 E CB -0.176 29.450 29.700 -0.124 0.000 0.923 168 E HN 0.044 8.149 8.360 -0.424 0.000 0.486 169 G N 4.569 113.342 108.800 -0.045 0.000 2.163 169 G HA2 -0.340 3.673 3.960 0.091 0.000 0.213 169 G HA3 -0.340 3.621 3.960 0.002 0.000 0.213 169 G C 0.060 174.994 174.900 0.057 0.000 0.991 169 G CA 0.050 45.169 45.100 0.032 0.000 0.653 169 G HN 0.295 8.840 8.290 0.038 -0.232 0.518 170 N N -0.757 117.987 118.700 0.073 0.000 2.235 170 N HA 0.156 4.978 4.740 0.137 0.000 0.231 170 N C 0.535 176.292 175.510 0.412 0.000 1.177 170 N CA -1.403 51.761 53.050 0.190 0.000 0.874 170 N CB -0.243 38.327 38.487 0.137 0.000 1.097 170 N HN -0.177 8.143 8.380 -0.021 0.048 0.518 171 E N 0.836 121.301 120.200 0.441 0.000 2.085 171 E HA -0.443 4.046 4.350 0.231 0.000 0.194 171 E C 1.521 178.102 176.600 -0.032 0.000 0.994 171 E CA 3.727 60.265 56.400 0.230 0.000 0.801 171 E CB -1.471 28.308 29.700 0.132 0.000 0.743 171 E HN 0.456 8.978 8.360 0.378 0.065 0.453 172 E N -0.068 120.105 120.200 -0.046 0.000 2.448 172 E HA -0.265 4.001 4.350 -0.140 0.000 0.203 172 E C 0.888 177.471 176.600 -0.029 0.000 1.046 172 E CA 2.232 58.600 56.400 -0.055 0.000 0.871 172 E CB -0.850 28.877 29.700 0.045 0.000 0.790 172 E HN 0.364 8.739 8.360 0.025 0.000 0.545 173 E N -4.982 115.192 120.200 -0.042 0.000 2.476 173 E HA -0.019 4.151 4.350 -0.299 0.000 0.199 173 E C 0.965 177.373 176.600 -0.321 0.000 1.021 173 E CA 0.524 56.790 56.400 -0.224 0.000 0.907 173 E CB 0.974 30.582 29.700 -0.153 0.000 0.974 173 E HN -0.346 7.802 8.360 0.040 0.236 0.489 174 I N -4.889 115.576 120.570 -0.175 0.000 4.433 174 I HA 0.242 4.254 4.170 -0.264 0.000 0.322 174 I C 1.476 177.376 176.117 -0.362 0.000 1.284 174 I CA 1.671 62.835 61.300 -0.227 0.000 1.269 174 I CB 1.185 39.099 38.000 -0.144 0.000 1.219 174 I HN 0.103 8.111 8.210 -0.108 0.137 0.436 175 V N 0.751 120.448 119.914 -0.362 0.000 2.594 175 V HA -0.351 3.125 4.120 -1.074 0.000 0.253 175 V C 0.901 176.790 176.094 -0.343 0.000 1.069 175 V CA 4.346 66.324 62.300 -0.537 0.000 1.082 175 V CB -0.323 31.290 31.823 -0.349 0.000 0.680 175 V HN 0.304 8.340 8.190 -0.256 0.000 0.469 176 L N -3.541 117.601 121.223 -0.134 0.000 2.552 176 L HA -0.070 4.267 4.340 -0.006 0.000 0.227 176 L C -0.801 176.051 176.870 -0.031 0.000 1.146 176 L CA -0.647 54.174 54.840 -0.032 0.000 0.858 176 L CB -1.390 40.694 42.059 0.042 0.000 0.969 176 L HN -0.019 8.117 8.230 -0.117 0.024 0.451 177 A N -0.892 121.874 122.820 -0.091 0.000 2.484 177 A HA -0.132 4.243 4.320 0.092 0.000 0.268 177 A C -0.095 177.625 177.584 0.227 0.000 1.114 177 A CA 0.130 52.191 52.037 0.041 0.000 0.780 177 A CB 0.247 19.234 19.000 -0.022 0.000 1.061 177 A HN -0.088 7.707 8.150 -0.218 0.224 0.505 178 R N 4.440 125.038 120.500 0.164 0.000 2.580 178 R HA 0.256 4.754 4.340 0.107 -0.094 0.267 178 R C 0.541 176.696 176.300 -0.241 0.000 1.125 178 R CA -0.685 55.457 56.100 0.071 0.000 1.188 178 R CB 1.333 31.621 30.300 -0.019 0.000 1.155 178 R HN 0.290 8.925 8.270 0.082 -0.316 0.586 179 T N -0.783 113.498 114.554 -0.455 0.000 2.828 179 T HA 0.001 3.408 4.350 -1.572 0.000 0.290 179 T C -1.293 173.250 174.700 -0.261 0.000 1.019 179 T CA -0.900 60.767 62.100 -0.721 0.000 1.031 179 T CB 1.052 69.715 68.868 -0.342 0.000 1.001 179 T HN -0.118 7.935 8.240 -0.180 0.079 0.531 180 F N -0.363 119.350 119.950 -0.395 0.000 2.619 180 F HA 0.376 4.895 4.527 -0.365 -0.211 0.308 180 F C -2.890 172.635 175.800 -0.459 0.000 1.097 180 F CA -2.744 55.018 58.000 -0.395 0.000 0.953 180 F CB 3.561 42.317 39.000 -0.407 0.000 1.287 180 F HN -0.122 7.844 8.300 -0.558 0.000 0.446 181 A N 0.043 122.503 122.820 -0.601 0.000 2.556 181 A HA 0.446 4.247 4.320 -0.866 0.000 0.294 181 A C -2.685 174.378 177.584 -0.868 0.000 1.091 181 A CA -1.522 50.080 52.037 -0.726 0.000 0.704 181 A CB 3.742 22.472 19.000 -0.449 0.000 1.300 181 A HN 0.367 8.167 8.150 -0.409 0.105 0.406 182 F N -1.303 118.351 119.950 -0.495 0.000 2.399 182 F HA 0.384 4.588 4.527 -0.749 -0.126 0.334 182 F C 1.380 176.640 175.800 -0.899 0.000 1.097 182 F CA -1.003 56.404 58.000 -0.988 0.000 1.076 182 F CB 2.194 39.894 39.000 -2.167 0.000 1.162 182 F HN 0.162 8.167 8.300 -0.492 0.000 0.495 183 D N 4.273 124.328 120.400 -0.576 0.000 2.172 183 D HA -0.439 3.925 4.640 -0.461 0.000 0.196 183 D C 1.369 177.583 176.300 -0.143 0.000 0.999 183 D CA 4.395 58.158 54.000 -0.394 0.000 0.856 183 D CB 0.372 40.992 40.800 -0.298 0.000 0.934 183 D HN 0.651 8.707 8.370 -0.525 0.000 0.453 184 W N -4.183 117.187 121.300 0.117 0.000 2.467 184 W HA -0.145 4.559 4.660 0.074 0.000 0.275 184 W C 1.213 177.803 176.519 0.118 0.000 1.239 184 W CA 1.113 58.521 57.345 0.104 0.000 1.266 184 W CB -1.327 28.193 29.460 0.101 0.000 1.112 184 W HN -0.056 7.885 8.180 -0.377 0.013 0.576 185 E N 0.954 121.176 120.200 0.037 0.000 2.076 185 E HA -0.287 4.337 4.350 0.456 0.000 0.190 185 E C 2.235 178.888 176.600 0.088 0.000 0.979 185 E CA 2.296 58.834 56.400 0.230 0.000 0.807 185 E CB 0.338 30.144 29.700 0.177 0.000 0.761 185 E HN -0.364 7.483 8.360 -0.590 0.159 0.454 186 I N 0.436 120.970 120.570 -0.060 0.000 2.113 186 I HA -0.665 3.431 4.170 -0.123 0.000 0.242 186 I C 1.300 177.415 176.117 -0.003 0.000 1.057 186 I CA 4.535 65.784 61.300 -0.085 0.000 1.314 186 I CB -0.583 37.332 38.000 -0.143 0.000 1.022 186 I HN 0.205 8.323 8.210 -0.154 0.000 0.408 187 E N -0.927 119.303 120.200 0.050 0.000 2.136 187 E HA -0.534 3.848 4.350 0.053 0.000 0.202 187 E C 2.243 178.929 176.600 0.143 0.000 1.019 187 E CA 3.639 60.092 56.400 0.088 0.000 0.819 187 E CB -0.270 29.500 29.700 0.116 0.000 0.739 187 E HN -0.270 8.118 8.360 0.047 0.000 0.458 188 H N -0.139 118.957 119.070 0.044 0.000 2.307 188 H HA -0.085 4.499 4.556 0.046 0.000 0.303 188 H C 2.472 177.783 175.328 -0.028 0.000 1.073 188 H CA 2.445 58.519 56.048 0.042 0.000 1.338 188 H CB 0.057 29.884 29.762 0.108 0.000 1.389 188 H HN -0.390 7.939 8.280 0.258 0.106 0.503 189 I N -0.454 120.061 120.570 -0.092 0.000 2.399 189 I HA -0.589 3.300 4.170 -0.468 0.000 0.254 189 I C 1.801 177.816 176.117 -0.170 0.000 1.146 189 I CA 4.340 65.472 61.300 -0.279 0.000 1.412 189 I CB -0.431 37.401 38.000 -0.280 0.000 1.076 189 I HN 0.218 8.436 8.210 0.015 0.000 0.432 190 K N -0.413 119.934 120.400 -0.089 0.000 2.078 190 K HA -0.068 4.367 4.320 -0.065 -0.154 0.203 190 K C 2.776 179.348 176.600 -0.046 0.000 1.043 190 K CA 2.742 58.994 56.287 -0.058 0.000 0.960 190 K CB 0.132 32.614 32.500 -0.030 0.000 0.761 190 K HN 0.194 8.291 8.250 -0.050 0.123 0.448 191 K N 1.473 121.867 120.400 -0.010 0.000 2.160 191 K HA -0.244 4.085 4.320 0.016 0.000 0.206 191 K C 1.861 178.439 176.600 -0.037 0.000 1.047 191 K CA 2.901 59.197 56.287 0.014 0.000 0.930 191 K CB 0.076 32.637 32.500 0.102 0.000 0.720 191 K HN -0.344 7.919 8.250 0.021 0.000 0.450 192 V N -8.033 111.804 119.914 -0.129 0.000 3.630 192 V HA 0.087 4.146 4.120 -0.102 0.000 0.273 192 V C 0.740 176.760 176.094 -0.122 0.000 1.248 192 V CA -0.121 62.083 62.300 -0.160 0.000 1.170 192 V CB -0.466 31.174 31.823 -0.304 0.000 0.899 192 V HN -0.296 7.771 8.190 -0.174 0.019 0.457 193 G N 0.603 109.347 108.800 -0.093 0.000 2.225 193 G HA2 -0.382 3.572 3.960 -0.052 0.000 0.264 193 G HA3 -0.382 3.538 3.960 -0.066 0.000 0.264 193 G C -1.395 173.453 174.900 -0.087 0.000 1.060 193 G CA 0.772 45.828 45.100 -0.073 0.000 0.833 193 G HN 0.272 8.281 8.290 -0.081 0.232 0.498 194 L N -2.393 118.775 121.223 -0.091 0.000 2.257 194 L HA 0.107 4.453 4.340 0.010 0.000 0.257 194 L C 0.006 176.918 176.870 0.069 0.000 1.033 194 L CA -1.581 53.254 54.840 -0.008 0.000 0.835 194 L CB 2.938 44.900 42.059 -0.162 0.000 1.398 194 L HN -0.228 7.938 8.230 -0.106 0.000 0.429 195 G N -2.254 106.693 108.800 0.247 0.000 2.233 195 G HA2 -0.462 3.432 3.960 -0.347 0.000 0.270 195 G HA3 -0.462 3.405 3.960 -0.155 0.000 0.270 195 G C 0.939 175.784 174.900 -0.091 0.000 1.011 195 G CA 1.396 46.423 45.100 -0.122 0.000 0.762 195 G HN 0.741 9.643 8.290 1.020 0.000 0.511 196 K N 0.799 121.176 120.400 -0.038 0.000 2.360 196 K HA -0.263 4.034 4.320 -0.039 0.000 0.201 196 K C 0.921 177.493 176.600 -0.047 0.000 1.046 196 K CA 1.900 58.165 56.287 -0.036 0.000 0.940 196 K CB -0.110 32.380 32.500 -0.017 0.000 0.748 196 K HN -0.203 7.945 8.250 0.008 0.107 0.465 197 G N -3.348 105.410 108.800 -0.070 0.000 3.324 197 G HA2 0.275 4.211 3.960 -0.039 0.000 0.251 197 G HA3 0.275 4.384 3.960 -0.055 -0.183 0.251 197 G C -0.369 174.477 174.900 -0.089 0.000 1.072 197 G CA -0.774 44.288 45.100 -0.062 0.000 0.787 197 G HN -0.035 8.046 8.290 -0.092 0.153 0.537 198 G N 1.453 110.178 108.800 -0.126 0.000 2.343 198 G HA2 -0.116 3.955 3.960 -0.150 0.000 0.254 198 G HA3 -0.116 3.739 3.960 -0.175 0.000 0.254 198 G C -1.695 173.145 174.900 -0.101 0.000 1.277 198 G CA 0.639 45.653 45.100 -0.143 0.000 0.909 198 G HN -0.340 7.675 8.290 -0.133 0.196 0.502 199 S N 2.257 117.906 115.700 -0.085 0.000 2.661 199 S HA 0.240 4.676 4.470 -0.058 0.000 0.285 199 S C -0.032 174.534 174.600 -0.056 0.000 1.138 199 S CA -1.982 56.183 58.200 -0.058 0.000 0.855 199 S CB 3.048 66.227 63.200 -0.036 0.000 1.136 199 S HN 0.160 8.842 8.310 -0.089 -0.425 0.484 200 L N -0.823 120.379 121.223 -0.036 0.000 2.549 200 L HA -0.065 4.381 4.340 -0.037 -0.129 0.229 200 L C 0.748 177.601 176.870 -0.028 0.000 1.158 200 L CA 1.967 56.792 54.840 -0.026 0.000 0.842 200 L CB -0.362 41.699 42.059 0.003 0.000 0.952 200 L HN 0.415 8.631 8.230 -0.025 0.000 0.452 201 K N -4.086 116.299 120.400 -0.026 0.000 2.361 201 K HA 0.045 4.351 4.320 -0.023 0.000 0.194 201 K C -0.508 176.080 176.600 -0.020 0.000 1.032 201 K CA 0.776 57.050 56.287 -0.021 0.000 1.048 201 K CB 1.399 33.892 32.500 -0.012 0.000 0.842 201 K HN 0.285 8.438 8.250 -0.027 0.081 0.526 202 N N -5.049 113.633 118.700 -0.031 0.000 2.143 202 N HA 0.203 5.068 4.740 -0.007 -0.129 0.229 202 N C -0.720 174.756 175.510 -0.055 0.000 1.294 202 N CA -0.842 52.193 53.050 -0.025 0.000 0.883 202 N CB 2.349 40.825 38.487 -0.018 0.000 1.148 202 N HN -0.361 7.813 8.380 -0.041 0.181 0.511 203 T N 0.414 114.923 114.554 -0.076 0.000 2.923 203 T HA 0.240 4.514 4.350 -0.127 0.000 0.311 203 T C -2.196 172.440 174.700 -0.106 0.000 1.183 203 T CA 0.066 62.095 62.100 -0.117 0.000 1.020 203 T CB 3.618 72.391 68.868 -0.158 0.000 1.165 203 T HN -0.140 8.061 8.240 -0.065 0.000 0.482 204 L N 6.297 127.452 121.223 -0.113 0.000 2.315 204 L HA 0.288 4.726 4.340 -0.069 -0.139 0.278 204 L C -1.834 174.952 176.870 -0.138 0.000 1.088 204 L CA -0.966 53.822 54.840 -0.087 0.000 0.899 204 L CB 0.841 42.867 42.059 -0.054 0.000 1.277 204 L HN 0.566 8.611 8.230 -0.130 0.107 0.431 205 V N 7.789 127.619 119.914 -0.141 0.000 2.461 205 V HA 0.406 4.545 4.120 -0.345 -0.226 0.275 205 V C -0.908 175.104 176.094 -0.136 0.000 1.047 205 V CA 0.084 62.236 62.300 -0.248 0.000 0.955 205 V CB 0.598 32.229 31.823 -0.320 0.000 0.988 205 V HN 0.626 9.088 8.190 -0.090 -0.327 0.471 206 L N 4.927 126.034 121.223 -0.195 0.000 2.256 206 L HA 0.768 5.329 4.340 0.219 -0.090 0.261 206 L C -1.050 175.888 176.870 0.115 0.000 1.022 206 L CA -2.177 52.712 54.840 0.082 0.000 0.828 206 L CB 3.702 45.846 42.059 0.142 0.000 1.374 206 L HN 0.462 8.467 8.230 -0.375 0.000 0.436 207 G N -2.339 106.658 108.800 0.329 0.000 3.176 207 G HA2 0.331 4.417 3.960 0.209 0.000 0.272 207 G HA3 0.331 4.554 3.960 0.438 0.000 0.272 207 G C -1.301 173.876 174.900 0.463 0.000 1.349 207 G CA -1.208 44.103 45.100 0.352 0.000 0.953 207 G HN 0.106 8.629 8.290 0.387 0.000 0.559 208 K N -1.589 119.101 120.400 0.484 0.000 2.209 208 K HA -0.234 4.470 4.320 0.640 0.000 0.204 208 K C -0.063 176.779 176.600 0.404 0.000 1.048 208 K CA 2.005 58.583 56.287 0.484 0.000 0.940 208 K CB 0.279 32.978 32.500 0.331 0.000 0.729 208 K HN 0.156 8.661 8.250 0.425 0.000 0.451 209 D N -6.840 113.718 120.400 0.263 0.000 2.704 209 D HA 0.050 4.785 4.640 0.158 0.000 0.291 209 D C -1.541 174.612 176.300 -0.245 0.000 1.610 209 D CA -0.355 53.680 54.000 0.057 0.000 0.807 209 D CB 0.345 41.174 40.800 0.049 0.000 1.233 209 D HN -0.225 8.262 8.370 0.232 0.022 0.445 210 K N -1.402 118.916 120.400 -0.137 0.000 2.536 210 K HA 0.253 4.348 4.320 -0.375 0.000 0.269 210 K C -2.208 174.371 176.600 -0.035 0.000 0.965 210 K CA -1.246 54.920 56.287 -0.200 0.000 0.860 210 K CB 4.096 36.520 32.500 -0.128 0.000 1.423 210 K HN -0.555 7.754 8.250 0.097 0.000 0.438 211 V N 2.626 122.500 119.914 -0.066 0.000 2.333 211 V HA 0.073 4.299 4.120 0.177 0.000 0.274 211 V C -0.168 175.976 176.094 0.084 0.000 1.028 211 V CA -0.336 62.008 62.300 0.072 0.000 0.851 211 V CB 0.175 32.014 31.823 0.028 0.000 1.000 211 V HN 0.358 8.456 8.190 -0.153 0.000 0.456 212 Y N 7.484 127.760 120.300 -0.041 0.000 2.128 212 Y HA -0.401 4.124 4.550 -0.041 0.000 0.284 212 Y C 0.757 176.627 175.900 -0.050 0.000 1.154 212 Y CA 3.070 61.142 58.100 -0.046 0.000 1.149 212 Y CB 0.156 38.587 38.460 -0.050 0.000 0.976 212 Y HN 0.022 8.610 8.280 0.515 0.000 0.505 213 N N -1.205 117.565 118.700 0.117 0.000 2.417 213 N HA -0.007 4.751 4.740 0.031 0.000 0.272 213 N C -1.300 174.205 175.510 -0.008 0.000 1.304 213 N CA 0.167 53.236 53.050 0.031 0.000 0.906 213 N CB -0.792 37.697 38.487 0.002 0.000 1.135 213 N HN -0.583 7.880 8.380 0.138 0.000 0.483 214 P HA -0.170 4.219 4.420 -0.053 0.000 0.223 214 P C -0.238 177.034 177.300 -0.047 0.000 1.144 214 P CA 1.370 64.445 63.100 -0.043 0.000 0.783 214 P CB 0.017 31.692 31.700 -0.042 0.000 0.771 215 E N -3.611 116.561 120.200 -0.047 0.000 2.358 215 E HA -0.216 4.096 4.350 -0.063 0.000 0.195 215 E C 0.837 177.396 176.600 -0.068 0.000 1.010 215 E CA 0.090 56.453 56.400 -0.062 0.000 0.856 215 E CB -0.474 29.185 29.700 -0.069 0.000 0.795 215 E HN -0.089 8.193 8.360 -0.039 0.055 0.504 216 G N 0.997 109.765 108.800 -0.053 0.000 2.750 216 G HA2 -0.353 3.589 3.960 -0.030 0.000 0.228 216 G HA3 -0.353 3.575 3.960 -0.053 0.000 0.228 216 G C -1.954 172.910 174.900 -0.060 0.000 1.367 216 G CA -0.501 44.571 45.100 -0.048 0.000 0.871 216 G HN -0.163 7.941 8.290 -0.043 0.161 0.560 217 L N -0.577 120.615 121.223 -0.052 0.000 2.312 217 L HA 0.321 4.758 4.340 -0.087 -0.149 0.281 217 L C 1.281 178.057 176.870 -0.156 0.000 1.070 217 L CA -0.504 54.288 54.840 -0.080 0.000 0.805 217 L CB 0.535 42.572 42.059 -0.037 0.000 1.174 217 L HN 0.032 8.245 8.230 -0.028 0.000 0.434 218 R N 1.206 121.554 120.500 -0.253 0.000 2.235 218 R HA -0.121 3.970 4.340 -0.415 0.000 0.213 218 R C -0.045 175.792 176.300 -0.772 0.000 1.059 218 R CA 1.652 57.440 56.100 -0.520 0.000 0.997 218 R CB 0.522 30.433 30.300 -0.648 0.000 0.884 218 R HN 0.339 8.805 8.270 -0.204 -0.318 0.462 219 Y N -4.006 116.230 120.300 -0.106 0.000 2.638 219 Y HA 0.105 4.597 4.550 -0.097 0.000 0.339 219 Y C -0.442 175.403 175.900 -0.091 0.000 1.084 219 Y CA -2.360 55.672 58.100 -0.113 0.000 1.068 219 Y CB 2.718 41.075 38.460 -0.171 0.000 1.294 219 Y HN -0.765 7.384 8.280 -0.137 0.048 0.480 220 E N -0.106 120.168 120.200 0.123 0.000 2.502 220 E HA -0.020 4.359 4.350 0.048 0.000 0.194 220 E C -0.793 175.818 176.600 0.018 0.000 1.062 220 E CA -0.050 56.384 56.400 0.057 0.000 0.867 220 E CB -0.225 29.514 29.700 0.065 0.000 0.888 220 E HN 0.474 8.934 8.360 0.166 0.000 0.510 221 N N -4.659 114.037 118.700 -0.006 0.000 2.577 221 N HA 0.136 4.840 4.740 -0.061 0.000 0.285 221 N C -0.645 174.801 175.510 -0.108 0.000 1.658 221 N CA -0.722 52.295 53.050 -0.054 0.000 0.865 221 N CB -0.834 37.644 38.487 -0.015 0.000 1.419 221 N HN -0.270 8.043 8.380 0.038 0.089 0.495 222 E N 2.690 122.839 120.200 -0.085 0.000 2.058 222 E HA -0.298 4.049 4.350 -0.005 0.000 0.194 222 E C -0.429 176.071 176.600 -0.166 0.000 0.997 222 E CA 5.173 61.532 56.400 -0.068 0.000 0.801 222 E CB -1.482 28.186 29.700 -0.052 0.000 0.746 222 E HN -0.179 8.144 8.360 -0.062 0.000 0.450 223 P HA -0.253 3.413 4.420 -1.257 0.000 0.210 223 P C 1.493 178.610 177.300 -0.306 0.000 1.185 223 P CA 3.258 65.828 63.100 -0.884 0.000 0.924 223 P CB -0.668 30.220 31.700 -1.353 0.000 0.786 224 V N -7.150 112.723 119.914 -0.068 0.000 2.392 224 V HA -0.503 3.594 4.120 -0.039 0.000 0.249 224 V C 1.721 177.850 176.094 0.059 0.000 1.059 224 V CA 3.499 65.852 62.300 0.088 0.000 1.051 224 V CB -0.702 31.314 31.823 0.321 0.000 0.658 224 V HN -0.244 7.904 8.190 -0.070 0.000 0.455 225 R N -0.942 119.571 120.500 0.021 0.000 2.081 225 R HA -0.467 3.947 4.340 0.123 0.000 0.235 225 R C 2.228 178.545 176.300 0.029 0.000 1.131 225 R CA 4.096 60.188 56.100 -0.013 0.000 0.960 225 R CB -0.215 29.941 30.300 -0.239 0.000 0.856 225 R HN -0.115 8.047 8.270 -0.039 0.085 0.436 226 H N -0.090 118.986 119.070 0.010 0.000 2.423 226 H HA -0.238 4.401 4.556 0.138 0.000 0.297 226 H C 2.037 177.445 175.328 0.133 0.000 1.075 226 H CA 3.874 59.998 56.048 0.127 0.000 1.342 226 H CB 0.072 29.963 29.762 0.215 0.000 1.395 226 H HN 0.330 8.587 8.280 0.123 0.096 0.530 227 K N -1.058 119.391 120.400 0.082 0.000 2.097 227 K HA -0.254 4.023 4.320 -0.071 0.000 0.205 227 K C 2.363 178.860 176.600 -0.171 0.000 1.050 227 K CA 2.666 58.824 56.287 -0.216 0.000 0.938 227 K CB -0.551 31.343 32.500 -1.010 0.000 0.718 227 K HN -0.241 7.928 8.250 0.068 0.121 0.442 228 V N -0.356 119.528 119.914 -0.050 0.000 2.427 228 V HA -0.330 3.837 4.120 0.079 0.000 0.248 228 V C 1.791 177.851 176.094 -0.057 0.000 1.051 228 V CA 2.732 65.057 62.300 0.041 0.000 1.048 228 V CB -1.079 30.854 31.823 0.182 0.000 0.666 228 V HN -0.105 7.969 8.190 -0.021 0.104 0.456 229 F N 2.701 122.501 119.950 -0.250 0.000 2.084 229 F HA -0.333 3.978 4.527 -0.360 0.000 0.296 229 F C 1.453 177.134 175.800 -0.198 0.000 1.111 229 F CA 3.114 60.918 58.000 -0.328 0.000 1.224 229 F CB 0.068 38.762 39.000 -0.510 0.000 0.991 229 F HN -0.178 8.041 8.300 0.038 0.104 0.471 230 D N -1.298 118.967 120.400 -0.225 0.000 2.178 230 D HA -0.281 4.241 4.640 -0.197 0.000 0.201 230 D C 2.375 178.573 176.300 -0.170 0.000 0.980 230 D CA 3.355 57.266 54.000 -0.148 0.000 0.842 230 D CB -0.365 40.467 40.800 0.052 0.000 0.948 230 D HN 0.313 8.640 8.370 -0.071 0.000 0.472 231 L N 0.206 121.333 121.223 -0.159 0.000 2.179 231 L HA -0.086 4.191 4.340 -0.104 0.000 0.208 231 L C 1.285 178.082 176.870 -0.121 0.000 1.096 231 L CA 2.463 57.238 54.840 -0.108 0.000 0.779 231 L CB -0.142 41.900 42.059 -0.029 0.000 0.922 231 L HN -0.116 7.915 8.230 -0.141 0.114 0.443 232 I N -1.018 119.444 120.570 -0.180 0.000 2.315 232 I HA -0.508 3.577 4.170 -0.143 0.000 0.248 232 I C 1.892 177.994 176.117 -0.025 0.000 1.117 232 I CA 4.548 65.751 61.300 -0.163 0.000 1.404 232 I CB -0.493 37.321 38.000 -0.309 0.000 1.071 232 I HN 0.156 8.121 8.210 -0.217 0.114 0.419 233 G N -0.215 108.483 108.800 -0.171 0.000 2.434 233 G HA2 -0.375 3.656 3.960 0.029 0.000 0.214 233 G HA3 -0.375 3.694 3.960 -0.178 -0.215 0.214 233 G C 1.331 176.252 174.900 0.035 0.000 1.202 233 G CA 2.249 47.304 45.100 -0.074 0.000 0.788 233 G HN -0.006 8.083 8.290 -0.336 0.000 0.539 234 D N 3.150 123.563 120.400 0.021 0.000 2.190 234 D HA -0.243 4.445 4.640 0.079 0.000 0.200 234 D C 2.729 179.053 176.300 0.041 0.000 0.992 234 D CA 2.925 56.961 54.000 0.060 0.000 0.854 234 D CB -0.685 40.162 40.800 0.080 0.000 0.936 234 D HN -0.281 8.081 8.370 -0.013 0.000 0.462 235 L N -0.757 120.471 121.223 0.007 0.000 2.265 235 L HA -0.342 3.954 4.340 -0.073 0.000 0.215 235 L C 1.909 178.766 176.870 -0.022 0.000 1.117 235 L CA 2.337 57.153 54.840 -0.040 0.000 0.782 235 L CB -0.153 41.850 42.059 -0.093 0.000 0.914 235 L HN -0.109 8.015 8.230 -0.007 0.102 0.441 236 Y N -0.498 119.722 120.300 -0.134 0.000 2.439 236 Y HA -0.157 4.141 4.550 -0.420 0.000 0.292 236 Y C 1.493 177.303 175.900 -0.149 0.000 1.130 236 Y CA -0.307 57.631 58.100 -0.270 0.000 1.254 236 Y CB -0.295 37.998 38.460 -0.278 0.000 1.000 236 Y HN 0.141 8.333 8.280 0.133 0.167 0.554 237 L N -1.494 119.801 121.223 0.121 0.000 2.661 237 L HA -0.316 4.051 4.340 0.045 0.000 0.236 237 L C 1.356 178.329 176.870 0.170 0.000 1.176 237 L CA 1.868 56.770 54.840 0.104 0.000 0.836 237 L CB -1.312 40.826 42.059 0.132 0.000 0.960 237 L HN -0.132 8.007 8.230 0.107 0.156 0.455 238 L N -3.953 117.321 121.223 0.086 0.000 2.478 238 L HA -0.261 4.163 4.340 0.138 0.000 0.223 238 L C 0.979 177.896 176.870 0.078 0.000 1.140 238 L CA 1.050 55.897 54.840 0.011 0.000 0.842 238 L CB 0.209 42.050 42.059 -0.363 0.000 0.953 238 L HN -0.740 7.387 8.230 0.051 0.133 0.452 239 G N -2.390 106.453 108.800 0.071 0.000 2.176 239 G HA2 -0.289 3.634 3.960 -0.062 0.000 0.232 239 G HA3 -0.289 3.687 3.960 0.026 0.000 0.232 239 G C -0.831 174.124 174.900 0.091 0.000 0.986 239 G CA 0.023 45.138 45.100 0.025 0.000 0.643 239 G HN 0.199 8.393 8.290 0.100 0.156 0.522 240 S N -1.303 114.504 115.700 0.179 0.000 2.578 240 S HA 0.225 4.823 4.470 0.213 0.000 0.272 240 S C -2.520 172.051 174.600 -0.048 0.000 1.145 240 S CA -1.477 56.812 58.200 0.147 0.000 0.835 240 S CB 2.328 65.582 63.200 0.090 0.000 1.104 240 S HN -0.740 7.615 8.310 0.172 0.059 0.458 241 P HA -0.155 3.503 4.420 -1.270 0.000 0.267 241 P C -1.663 175.655 177.300 0.029 0.000 1.195 241 P CA 0.049 62.851 63.100 -0.497 0.000 0.773 241 P CB 0.265 31.748 31.700 -0.362 0.000 0.837 242 V N 1.100 121.186 119.914 0.287 0.000 2.630 242 V HA 0.374 4.942 4.120 0.474 -0.163 0.305 242 V C -0.147 176.227 176.094 0.466 0.000 1.046 242 V CA -1.288 61.264 62.300 0.420 0.000 0.934 242 V CB 2.226 34.232 31.823 0.306 0.000 1.003 242 V HN 0.012 8.588 8.190 0.644 0.000 0.451 243 K N 4.188 124.855 120.400 0.446 0.000 2.463 243 K HA 0.321 4.800 4.320 0.265 0.000 0.255 243 K C -1.297 175.488 176.600 0.309 0.000 0.942 243 K CA -1.560 54.906 56.287 0.299 0.000 0.814 243 K CB 2.854 35.444 32.500 0.150 0.000 1.122 243 K HN 0.636 9.085 8.250 0.492 0.096 0.425 244 G N 2.808 111.788 108.800 0.300 0.000 2.359 244 G HA2 0.026 4.233 3.960 0.010 0.000 0.293 244 G HA3 0.026 3.996 3.960 0.016 0.000 0.293 244 G C -3.311 171.632 174.900 0.071 0.000 1.300 244 G CA 0.549 45.710 45.100 0.102 0.000 0.888 244 G HN 0.216 8.584 8.290 0.298 0.101 0.541 245 K N -0.147 120.044 120.400 -0.348 0.000 2.203 245 K HA 1.069 5.671 4.320 0.167 -0.181 0.251 245 K C -1.996 174.238 176.600 -0.610 0.000 0.944 245 K CA -2.428 53.748 56.287 -0.185 0.000 0.829 245 K CB 3.741 36.178 32.500 -0.106 0.000 1.125 245 K HN 0.428 8.405 8.250 -0.455 0.000 0.430 246 F N 0.854 120.869 119.950 0.108 0.000 2.591 246 F HA 0.764 5.554 4.527 0.132 -0.184 0.309 246 F C -1.754 174.148 175.800 0.171 0.000 1.098 246 F CA -1.942 56.137 58.000 0.131 0.000 0.937 246 F CB 4.251 43.322 39.000 0.119 0.000 1.250 246 F HN 1.008 9.479 8.300 0.448 0.098 0.447 247 Y N 3.370 123.784 120.300 0.189 0.000 2.338 247 Y HA 0.405 5.160 4.550 0.124 -0.131 0.333 247 Y C -2.395 173.562 175.900 0.096 0.000 0.968 247 Y CA -1.825 56.343 58.100 0.114 0.000 1.123 247 Y CB 2.744 41.234 38.460 0.050 0.000 1.165 247 Y HN 0.926 9.415 8.280 0.348 0.000 0.452 248 S N 8.469 123.755 115.700 -0.691 0.000 2.472 248 S HA 0.556 4.936 4.470 -0.365 -0.129 0.303 248 S C -2.301 171.647 174.600 -1.087 0.000 1.099 248 S CA -0.880 56.943 58.200 -0.630 0.000 1.077 248 S CB 2.375 65.435 63.200 -0.234 0.000 1.031 248 S HN 0.709 8.574 8.310 -0.556 0.111 0.487 249 F N 5.353 124.815 119.950 -0.814 0.000 2.382 249 F HA 0.522 4.744 4.527 -0.795 -0.172 0.361 249 F C -0.767 174.785 175.800 -0.412 0.000 1.109 249 F CA -1.982 55.644 58.000 -0.624 0.000 1.031 249 F CB 2.591 41.451 39.000 -0.233 0.000 1.234 249 F HN 1.039 9.070 8.300 -0.274 0.104 0.445 250 R N 4.386 124.258 120.500 -1.048 0.000 3.741 250 R HA -0.445 3.733 4.340 -0.269 0.000 0.292 250 R C -1.289 174.952 176.300 -0.097 0.000 1.176 250 R CA 1.166 56.965 56.100 -0.500 0.000 0.794 250 R CB -1.641 28.277 30.300 -0.635 0.000 1.213 250 R HN 0.709 8.193 8.270 -1.310 0.000 0.494 251 G N -4.257 104.513 108.800 -0.050 0.000 2.594 251 G HA2 0.037 4.031 3.960 0.056 0.000 0.243 251 G HA3 0.037 4.057 3.960 0.099 0.000 0.243 251 G C -1.569 173.427 174.900 0.160 0.000 1.229 251 G CA -0.108 45.047 45.100 0.093 0.000 0.843 251 G HN -0.260 7.790 8.290 -0.345 0.033 0.578 252 G N -1.820 107.027 108.800 0.079 0.000 2.680 252 G HA2 0.294 4.254 3.960 0.001 0.000 0.290 252 G HA3 0.294 4.285 3.960 0.051 0.000 0.290 252 G C -0.476 174.421 174.900 -0.005 0.000 1.355 252 G CA -1.270 43.848 45.100 0.030 0.000 0.903 252 G HN -0.286 8.046 8.290 0.069 0.000 0.474 253 H N 0.712 119.806 119.070 0.039 0.000 2.357 253 H HA -0.304 4.423 4.556 0.035 -0.150 0.296 253 H C 2.218 177.565 175.328 0.032 0.000 1.108 253 H CA 4.300 60.365 56.048 0.029 0.000 1.273 253 H CB 0.317 30.085 29.762 0.009 0.000 1.367 253 H HN 0.444 8.725 8.280 0.002 0.000 0.498 254 S N -1.808 113.980 115.700 0.146 0.000 2.351 254 S HA -0.303 4.226 4.470 0.098 0.000 0.220 254 S C 1.819 176.464 174.600 0.075 0.000 1.035 254 S CA 3.863 62.120 58.200 0.095 0.000 1.031 254 S CB -0.791 62.451 63.200 0.071 0.000 0.928 254 S HN 0.339 8.728 8.310 0.143 0.007 0.433 255 L N 2.799 124.061 121.223 0.066 0.000 2.042 255 L HA -0.311 4.062 4.340 0.056 0.000 0.210 255 L C 1.453 178.358 176.870 0.058 0.000 1.076 255 L CA 3.409 58.284 54.840 0.059 0.000 0.749 255 L CB -0.220 41.876 42.059 0.061 0.000 0.893 255 L HN -0.233 8.037 8.230 0.066 0.000 0.432 256 N N -0.377 118.355 118.700 0.053 0.000 2.037 256 N HA -0.425 4.340 4.740 0.041 0.000 0.196 256 N C 2.462 178.003 175.510 0.051 0.000 1.034 256 N CA 3.172 56.248 53.050 0.044 0.000 0.861 256 N CB -0.743 37.759 38.487 0.024 0.000 1.039 256 N HN 0.086 8.494 8.380 0.048 0.000 0.427 257 V N 1.391 121.346 119.914 0.068 0.000 2.261 257 V HA -0.583 3.576 4.120 0.064 0.000 0.246 257 V C 1.545 177.660 176.094 0.034 0.000 1.047 257 V CA 4.873 67.211 62.300 0.062 0.000 1.015 257 V CB -0.234 31.636 31.823 0.078 0.000 0.642 257 V HN 0.097 8.339 8.190 0.085 0.000 0.446 258 K N -0.100 120.323 120.400 0.037 0.000 2.020 258 K HA -0.423 3.905 4.320 0.013 0.000 0.212 258 K C 1.990 178.602 176.600 0.020 0.000 1.050 258 K CA 3.562 59.863 56.287 0.024 0.000 0.929 258 K CB -0.017 32.503 32.500 0.034 0.000 0.714 258 K HN -0.433 7.846 8.250 0.048 0.000 0.443 259 L N -0.522 120.724 121.223 0.038 0.000 1.971 259 L HA -0.417 3.960 4.340 0.062 0.000 0.215 259 L C 1.427 178.310 176.870 0.023 0.000 1.072 259 L CA 3.487 58.360 54.840 0.055 0.000 0.758 259 L CB -0.342 41.770 42.059 0.089 0.000 0.889 259 L HN 0.274 8.423 8.230 0.046 0.109 0.433 260 V N -0.257 119.652 119.914 -0.008 0.000 2.231 260 V HA -0.752 3.306 4.120 -0.105 0.000 0.248 260 V C 1.697 177.692 176.094 -0.165 0.000 1.054 260 V CA 5.562 67.810 62.300 -0.087 0.000 1.015 260 V CB -0.316 31.471 31.823 -0.060 0.000 0.638 260 V HN -0.144 8.052 8.190 0.010 0.000 0.444 261 K N -0.780 119.528 120.400 -0.154 0.000 2.059 261 K HA -0.544 3.526 4.320 -0.417 0.000 0.212 261 K C 2.399 178.924 176.600 -0.125 0.000 1.050 261 K CA 3.977 60.139 56.287 -0.209 0.000 0.927 261 K CB -0.192 32.250 32.500 -0.096 0.000 0.714 261 K HN 0.232 8.325 8.250 -0.084 0.107 0.447 262 E N -1.091 119.082 120.200 -0.046 0.000 2.051 262 E HA -0.337 4.014 4.350 0.001 0.000 0.192 262 E C 2.480 179.099 176.600 0.032 0.000 0.991 262 E CA 3.225 59.626 56.400 0.003 0.000 0.799 262 E CB -0.081 29.638 29.700 0.030 0.000 0.748 262 E HN 0.074 8.241 8.360 -0.032 0.173 0.449 263 L N -0.207 121.042 121.223 0.043 0.000 1.989 263 L HA -0.509 3.959 4.340 0.213 0.000 0.211 263 L C 2.367 179.350 176.870 0.187 0.000 1.071 263 L CA 3.473 58.403 54.840 0.149 0.000 0.749 263 L CB -0.292 41.833 42.059 0.110 0.000 0.890 263 L HN 0.530 8.602 8.230 0.017 0.169 0.431 264 A N -3.123 119.683 122.820 -0.023 0.000 2.015 264 A HA -0.301 4.171 4.320 0.253 0.000 0.219 264 A C 2.274 179.897 177.584 0.065 0.000 1.163 264 A CA 2.993 55.047 52.037 0.028 0.000 0.646 264 A CB -0.733 18.128 19.000 -0.232 0.000 0.806 264 A HN 0.552 8.607 8.150 -0.158 0.000 0.448 265 K N -1.006 119.402 120.400 0.013 0.000 2.076 265 K HA -0.168 4.171 4.320 0.032 0.000 0.204 265 K C 2.136 178.773 176.600 0.062 0.000 1.051 265 K CA 2.346 58.651 56.287 0.029 0.000 0.949 265 K CB 0.255 32.758 32.500 0.003 0.000 0.726 265 K HN -0.050 8.054 8.250 -0.026 0.131 0.443 266 K N -2.902 117.546 120.400 0.080 0.000 2.361 266 K HA -0.049 4.306 4.320 0.058 0.000 0.196 266 K C 1.547 178.205 176.600 0.096 0.000 1.039 266 K CA 1.530 57.863 56.287 0.078 0.000 1.001 266 K CB 0.008 32.553 32.500 0.074 0.000 0.795 266 K HN 0.038 8.234 8.250 0.084 0.104 0.495 267 Q N -0.442 119.451 119.800 0.155 0.000 2.200 267 Q HA -0.082 4.299 4.340 0.069 0.000 0.197 267 Q C 0.079 176.151 176.000 0.119 0.000 0.953 267 Q CA 0.926 56.813 55.803 0.140 0.000 0.851 267 Q CB 1.618 30.514 28.738 0.264 0.000 0.938 267 Q HN -0.208 8.146 8.270 0.194 0.033 0.488 268 K N -4.064 116.433 120.400 0.163 0.000 1.903 268 K HA -0.422 4.032 4.320 0.142 -0.049 0.489 268 K C -1.214 175.458 176.600 0.120 0.000 1.748 268 K CA 1.705 58.069 56.287 0.129 0.000 0.898 268 K CB -1.465 31.084 32.500 0.082 0.000 1.381 268 K HN -0.126 8.128 8.250 0.200 0.116 0.745 269 L N 0.000 121.277 121.223 0.089 0.000 2.949 269 L HA 0.000 4.383 4.340 0.071 0.000 0.249 269 L CA 0.000 54.883 54.840 0.071 0.000 0.813 269 L CB 0.000 42.105 42.059 0.077 0.000 0.961 269 L HN 0.000 8.279 8.230 0.081 0.000 0.502