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 1c4o_1_A DATA FIRST_RESID 2 DATA SEQUENCE TFRYRGPSPK GDQPKAIAGL VEALRDGERF VTLLGATGTG KTVTMAKVIE DATA SEQUENCE ALGRPALVLA PNKILAAQLA AEFRELFPEN AVEYFISYYD YYQPEAYVPG DATA SEQUENCE KDLYIEKDAS INPEIERLRH STTRSLLTRR DVIVVASVSA IYGLGDPREY DATA SEQUENCE RARNLVXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXGFVLFP ATHYLSPEGL DATA SEQUENCE EEILKEIEKE LWERVRYFEE RGEVLYAQRL KERTLYDLEM LRVMGTCPGV DATA SEQUENCE ENYARYFTGK APGEPPYTLL DYFPEDFLVF LDESHVTVPQ LQGMYRGDYA DATA SEQUENCE RKKTLVDYGF RLPSALDNRP LRFEEFLERV SQVVFVSATP GPFELAHSGR DATA SEQUENCE VVEQIIRPTG LLDPLVRVKP TENQILDLME GIRERAARGE RTLVTVLTVR DATA SEQUENCE MAEELTSFLV EHGIRARYLH HELDAFKRQA LIRDLRLGHY DCLVGINLLR DATA SEQUENCE EGLDIPEVSL VAILDADKEG FLRSERSLIQ TIGRAARNAR GEVWLYADRV DATA SEQUENCE SEAMQRAIEE TNRRRALQEA YNLEHGITPE TV 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.550 174.700 -0.250 0.000 1.109 2 T CA 0.000 61.954 62.100 -0.244 0.000 1.349 2 T CB 0.000 68.833 68.868 -0.059 0.000 0.612 3 F N 2.133 122.109 119.950 0.042 0.000 2.418 3 F HA 0.539 5.066 4.527 0.001 0.000 0.341 3 F C 1.450 177.394 175.800 0.240 0.000 1.120 3 F CA -0.546 57.509 58.000 0.092 0.000 1.232 3 F CB 0.711 39.697 39.000 -0.024 0.000 1.175 3 F HN 0.196 nan 8.300 nan 0.000 0.569 4 R N 2.598 123.431 120.500 0.555 0.000 2.415 4 R HA 0.142 4.482 4.340 0.001 0.000 0.292 4 R C -1.423 175.138 176.300 0.434 0.000 1.295 4 R CA -0.813 55.533 56.100 0.410 0.000 1.137 4 R CB 0.814 31.258 30.300 0.239 0.000 1.135 4 R HN 0.600 nan 8.270 nan 0.000 0.560 5 Y N 2.893 123.350 120.300 0.262 0.000 2.526 5 Y HA -0.010 4.541 4.550 0.001 0.000 0.330 5 Y C 0.491 176.335 175.900 -0.092 0.000 1.156 5 Y CA 0.393 58.426 58.100 -0.111 0.000 1.419 5 Y CB 0.537 38.959 38.460 -0.065 0.000 1.250 5 Y HN 0.314 nan 8.280 nan 0.000 0.540 6 R N 4.547 124.614 120.500 -0.722 0.000 2.600 6 R HA 0.250 4.590 4.340 0.001 0.000 0.392 6 R C 0.432 176.332 176.300 -0.668 0.000 1.032 6 R CA 0.301 56.106 56.100 -0.491 0.000 1.139 6 R CB 0.535 30.692 30.300 -0.238 0.000 1.400 6 R HN 0.863 nan 8.270 nan 0.000 0.566 7 G N 1.736 109.720 108.800 -1.360 0.000 2.531 7 G HA2 0.444 4.404 3.960 0.001 0.000 0.281 7 G HA3 0.444 4.404 3.960 0.001 0.000 0.281 7 G C -2.406 172.295 174.900 -0.332 0.000 1.382 7 G CA -0.880 43.729 45.100 -0.817 0.000 1.045 7 G HN -0.098 nan 8.290 nan 0.000 0.533 8 P HA 0.202 nan 4.420 nan 0.000 0.272 8 P C 0.119 177.516 177.300 0.162 0.000 1.223 8 P CA -0.319 62.802 63.100 0.034 0.000 0.784 8 P CB 0.844 32.552 31.700 0.013 0.000 0.923 9 S N 2.169 117.934 115.700 0.109 0.000 2.585 9 S HA 0.327 4.797 4.470 0.001 0.000 0.273 9 S C -2.316 172.318 174.600 0.056 0.000 1.339 9 S CA -1.106 57.158 58.200 0.106 0.000 1.028 9 S CB -0.587 62.651 63.200 0.064 0.000 0.906 9 S HN 0.229 nan 8.310 nan 0.000 0.528 10 P HA 0.289 nan 4.420 nan 0.000 0.265 10 P C -0.446 176.848 177.300 -0.010 0.000 1.193 10 P CA -0.055 63.037 63.100 -0.014 0.000 0.765 10 P CB 0.360 32.036 31.700 -0.040 0.000 0.823 11 K N 1.216 121.602 120.400 -0.025 0.000 2.399 11 K HA 0.651 4.971 4.320 0.001 0.000 0.260 11 K C 0.590 177.141 176.600 -0.081 0.000 1.049 11 K CA -0.606 55.661 56.287 -0.033 0.000 0.890 11 K CB 1.508 33.994 32.500 -0.024 0.000 1.430 11 K HN 0.559 nan 8.250 nan 0.000 0.459 12 G N 1.186 109.908 108.800 -0.130 0.000 2.611 12 G HA2 -0.325 3.635 3.960 0.001 0.000 0.301 12 G HA3 -0.325 3.635 3.960 0.001 0.000 0.301 12 G C 0.160 174.910 174.900 -0.251 0.000 1.233 12 G CA 0.747 45.652 45.100 -0.326 0.000 0.993 12 G HN 0.698 nan 8.290 nan 0.000 0.553 13 D N 1.039 121.306 120.400 -0.222 0.000 2.340 13 D HA 0.131 4.772 4.640 0.001 0.000 0.220 13 D C 2.561 178.822 176.300 -0.065 0.000 1.039 13 D CA 0.729 54.655 54.000 -0.124 0.000 0.866 13 D CB 0.042 40.776 40.800 -0.110 0.000 0.913 13 D HN 0.594 nan 8.370 nan 0.000 0.523 14 Q N 0.255 120.015 119.800 -0.066 0.000 2.061 14 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 14 Q C -0.634 175.349 176.000 -0.028 0.000 0.984 14 Q CA 1.397 57.175 55.803 -0.042 0.000 0.846 14 Q CB -0.866 27.845 28.738 -0.046 0.000 0.902 14 Q HN 0.292 nan 8.270 nan 0.000 0.421 15 P HA -0.185 nan 4.420 nan 0.000 0.215 15 P C 0.769 178.069 177.300 0.001 0.000 1.157 15 P CA 1.400 64.495 63.100 -0.009 0.000 0.868 15 P CB 0.003 31.705 31.700 0.003 0.000 0.788 16 K N -0.854 119.550 120.400 0.006 0.000 2.148 16 K HA -0.022 4.299 4.320 0.001 0.000 0.204 16 K C 2.086 178.694 176.600 0.014 0.000 1.050 16 K CA 1.326 57.622 56.287 0.015 0.000 0.942 16 K CB -0.494 32.018 32.500 0.021 0.000 0.724 16 K HN 0.042 nan 8.250 nan 0.000 0.446 17 A N 1.450 124.275 122.820 0.008 0.000 1.897 17 A HA -0.105 4.215 4.320 0.001 0.000 0.215 17 A C 2.078 179.677 177.584 0.025 0.000 1.181 17 A CA 1.051 53.098 52.037 0.018 0.000 0.620 17 A CB -0.471 18.537 19.000 0.014 0.000 0.821 17 A HN 0.136 nan 8.150 nan 0.000 0.443 18 I N -0.055 120.524 120.570 0.014 0.000 2.163 18 I HA -0.315 3.856 4.170 0.001 0.000 0.243 18 I C 2.972 179.101 176.117 0.020 0.000 1.085 18 I CA 1.213 62.523 61.300 0.016 0.000 1.347 18 I CB -0.326 37.667 38.000 -0.012 0.000 1.044 18 I HN 0.357 nan 8.210 nan 0.000 0.408 19 A N 0.762 123.591 122.820 0.015 0.000 1.933 19 A HA -0.117 4.203 4.320 0.001 0.000 0.218 19 A C 2.426 180.022 177.584 0.021 0.000 1.175 19 A CA 1.881 53.928 52.037 0.017 0.000 0.628 19 A CB -1.387 17.623 19.000 0.016 0.000 0.814 19 A HN 0.478 nan 8.150 nan 0.000 0.444 20 G N -0.320 108.494 108.800 0.023 0.000 2.402 20 G HA2 -0.109 3.852 3.960 0.001 0.000 0.216 20 G HA3 -0.109 3.852 3.960 0.001 0.000 0.216 20 G C 1.561 176.477 174.900 0.027 0.000 1.162 20 G CA 0.953 46.068 45.100 0.025 0.000 0.777 20 G HN 0.421 nan 8.290 nan 0.000 0.539 21 L N 0.144 121.388 121.223 0.034 0.000 2.027 21 L HA -0.072 4.269 4.340 0.001 0.000 0.206 21 L C 3.006 179.889 176.870 0.022 0.000 1.074 21 L CA 0.501 55.363 54.840 0.036 0.000 0.745 21 L CB -0.516 41.583 42.059 0.065 0.000 0.898 21 L HN 0.079 nan 8.230 nan 0.000 0.433 22 V N -0.056 119.874 119.914 0.027 0.000 2.343 22 V HA -0.318 3.803 4.120 0.001 0.000 0.247 22 V C 2.503 178.603 176.094 0.009 0.000 1.051 22 V CA 2.052 64.364 62.300 0.020 0.000 1.036 22 V CB -0.474 31.364 31.823 0.025 0.000 0.654 22 V HN 0.515 nan 8.190 nan 0.000 0.451 23 E N 0.125 120.331 120.200 0.011 0.000 2.085 23 E HA -0.246 4.104 4.350 0.001 0.000 0.194 23 E C 2.238 178.838 176.600 -0.001 0.000 0.994 23 E CA 1.476 57.880 56.400 0.007 0.000 0.801 23 E CB -0.203 29.504 29.700 0.010 0.000 0.743 23 E HN 0.569 nan 8.360 nan 0.000 0.453 24 A N 0.855 123.675 122.820 0.000 0.000 1.933 24 A HA -0.129 4.191 4.320 0.001 0.000 0.218 24 A C 2.190 179.758 177.584 -0.028 0.000 1.175 24 A CA 1.044 53.077 52.037 -0.007 0.000 0.628 24 A CB -0.538 18.464 19.000 0.004 0.000 0.814 24 A HN 0.287 nan 8.150 nan 0.000 0.444 25 L N -1.329 119.873 121.223 -0.036 0.000 2.072 25 L HA -0.112 4.228 4.340 0.001 0.000 0.205 25 L C 2.787 179.627 176.870 -0.052 0.000 1.079 25 L CA 1.198 56.000 54.840 -0.064 0.000 0.752 25 L CB -0.399 41.615 42.059 -0.075 0.000 0.906 25 L HN 0.304 nan 8.230 nan 0.000 0.436 26 R N -0.152 120.331 120.500 -0.029 0.000 2.148 26 R HA -0.130 4.210 4.340 0.001 0.000 0.227 26 R C 1.267 177.552 176.300 -0.024 0.000 1.103 26 R CA 1.025 57.112 56.100 -0.021 0.000 0.983 26 R CB -0.180 30.117 30.300 -0.006 0.000 0.874 26 R HN 0.306 nan 8.270 nan 0.000 0.451 27 D N -0.896 119.489 120.400 -0.024 0.000 2.363 27 D HA 0.043 4.683 4.640 0.001 0.000 0.226 27 D C 0.983 177.261 176.300 -0.036 0.000 1.020 27 D CA 0.912 54.898 54.000 -0.023 0.000 0.892 27 D CB 0.562 41.353 40.800 -0.015 0.000 0.900 27 D HN 0.437 nan 8.370 nan 0.000 0.531 28 G N 0.807 109.576 108.800 -0.052 0.000 2.141 28 G HA2 -0.239 3.722 3.960 0.001 0.000 0.231 28 G HA3 -0.239 3.722 3.960 0.001 0.000 0.231 28 G C 0.062 174.908 174.900 -0.090 0.000 0.984 28 G CA -0.380 44.677 45.100 -0.073 0.000 0.660 28 G HN 0.169 nan 8.290 nan 0.000 0.525 29 E N -0.133 120.020 120.200 -0.078 0.000 2.376 29 E HA 0.181 4.531 4.350 0.001 0.000 0.266 29 E C 1.414 177.920 176.600 -0.157 0.000 1.009 29 E CA -0.155 56.198 56.400 -0.079 0.000 0.902 29 E CB 0.974 30.655 29.700 -0.031 0.000 0.972 29 E HN 0.554 nan 8.360 nan 0.000 0.439 30 R N 2.494 122.856 120.500 -0.229 0.000 2.093 30 R HA -0.006 4.334 4.340 0.001 0.000 0.224 30 R C -0.132 175.799 176.300 -0.615 0.000 1.101 30 R CA 0.950 56.751 56.100 -0.499 0.000 0.979 30 R CB 0.322 30.207 30.300 -0.692 0.000 0.877 30 R HN 0.231 nan 8.270 nan 0.000 0.441 31 F N 0.816 120.752 119.950 -0.023 0.000 2.536 31 F HA 0.351 4.879 4.527 0.001 0.000 0.322 31 F C -0.605 175.229 175.800 0.056 0.000 1.144 31 F CA -1.253 56.760 58.000 0.022 0.000 0.924 31 F CB 2.162 41.322 39.000 0.267 0.000 1.181 31 F HN -0.194 nan 8.300 nan 0.000 0.438 32 V N -0.650 119.372 119.914 0.180 0.000 2.925 32 V HA 0.851 4.972 4.120 0.001 0.000 0.311 32 V C -0.648 175.576 176.094 0.217 0.000 1.104 32 V CA -0.555 61.840 62.300 0.158 0.000 0.954 32 V CB 1.699 33.548 31.823 0.045 0.000 1.022 32 V HN 0.636 nan 8.190 nan 0.000 0.427 33 T N 5.222 119.920 114.554 0.241 0.000 2.807 33 T HA 0.638 4.989 4.350 0.001 0.000 0.279 33 T C -0.767 174.034 174.700 0.169 0.000 0.993 33 T CA -0.209 62.052 62.100 0.268 0.000 0.970 33 T CB 1.353 70.373 68.868 0.255 0.000 0.950 33 T HN 0.920 nan 8.240 nan 0.000 0.441 34 L N 4.832 126.160 121.223 0.174 0.000 2.264 34 L HA 0.543 4.883 4.340 0.001 0.000 0.287 34 L C -0.758 176.183 176.870 0.118 0.000 1.039 34 L CA -0.468 54.452 54.840 0.134 0.000 0.829 34 L CB 0.337 42.487 42.059 0.152 0.000 1.211 34 L HN 0.625 nan 8.230 nan 0.000 0.427 35 L N 5.710 126.982 121.223 0.081 0.000 2.288 35 L HA 0.659 4.999 4.340 0.001 0.000 0.283 35 L C 0.151 177.042 176.870 0.034 0.000 1.072 35 L CA -0.245 54.627 54.840 0.053 0.000 0.862 35 L CB 0.255 42.335 42.059 0.034 0.000 1.245 35 L HN 0.808 nan 8.230 nan 0.000 0.432 36 G N 3.604 112.426 108.800 0.036 0.000 2.478 36 G HA2 0.625 4.585 3.960 0.001 0.000 0.317 36 G HA3 0.625 4.585 3.960 0.001 0.000 0.317 36 G C -0.299 174.603 174.900 0.003 0.000 1.259 36 G CA -0.287 44.824 45.100 0.018 0.000 0.933 36 G HN 0.803 nan 8.290 nan 0.000 0.478 37 A N 2.199 125.010 122.820 -0.014 0.000 2.406 37 A HA 0.585 4.906 4.320 0.001 0.000 0.243 37 A C 1.084 178.657 177.584 -0.019 0.000 1.082 37 A CA 0.190 52.214 52.037 -0.022 0.000 0.786 37 A CB 0.286 19.268 19.000 -0.029 0.000 1.029 37 A HN 0.920 nan 8.150 nan 0.000 0.495 38 T N 0.036 114.579 114.554 -0.019 0.000 2.946 38 T HA 0.400 4.751 4.350 0.001 0.000 0.311 38 T C 1.457 176.143 174.700 -0.023 0.000 1.063 38 T CA 1.702 63.793 62.100 -0.015 0.000 1.139 38 T CB -0.175 68.685 68.868 -0.014 0.000 0.994 38 T HN 2.346 nan 8.240 nan 0.000 0.547 39 G N 2.932 111.717 108.800 -0.025 0.000 2.162 39 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 39 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 39 G C 0.822 175.698 174.900 -0.040 0.000 0.976 39 G CA 1.070 46.151 45.100 -0.032 0.000 0.655 39 G HN 1.285 nan 8.290 nan 0.000 0.533 40 T N -1.814 112.717 114.554 -0.039 0.000 3.129 40 T HA 0.448 4.798 4.350 0.001 0.000 0.251 40 T C 1.920 176.592 174.700 -0.046 0.000 1.117 40 T CA 1.133 63.203 62.100 -0.050 0.000 1.034 40 T CB 0.397 69.237 68.868 -0.047 0.000 0.968 40 T HN 2.203 nan 8.240 nan 0.000 0.526 41 G N 2.059 110.834 108.800 -0.041 0.000 2.401 41 G HA2 -0.232 3.728 3.960 0.001 0.000 0.283 41 G HA3 -0.232 3.728 3.960 0.001 0.000 0.283 41 G C 0.475 175.351 174.900 -0.039 0.000 1.117 41 G CA 0.143 45.216 45.100 -0.045 0.000 1.051 41 G HN 0.506 nan 8.290 nan 0.000 0.510 42 K N -0.759 119.623 120.400 -0.029 0.000 2.211 42 K HA -0.060 4.261 4.320 0.001 0.000 0.203 42 K C 2.578 179.157 176.600 -0.035 0.000 1.050 42 K CA 1.640 57.922 56.287 -0.009 0.000 0.945 42 K CB -0.070 32.443 32.500 0.022 0.000 0.732 42 K HN 0.448 nan 8.250 nan 0.000 0.451 43 T N 0.913 115.408 114.554 -0.098 0.000 2.777 43 T HA -0.093 4.258 4.350 0.001 0.000 0.266 43 T C 1.991 176.607 174.700 -0.140 0.000 1.040 43 T CA 0.927 62.901 62.100 -0.209 0.000 1.141 43 T CB -0.109 68.538 68.868 -0.368 0.000 0.868 43 T HN -0.050 nan 8.240 nan 0.000 0.444 44 V N 1.576 121.442 119.914 -0.080 0.000 2.427 44 V HA -0.180 3.941 4.120 0.001 0.000 0.248 44 V C 2.775 178.846 176.094 -0.040 0.000 1.051 44 V CA 1.916 64.205 62.300 -0.018 0.000 1.048 44 V CB -0.978 30.847 31.823 0.003 0.000 0.666 44 V HN 0.536 nan 8.190 nan 0.000 0.456 45 T N -0.187 114.349 114.554 -0.029 0.000 2.708 45 T HA -0.219 4.131 4.350 0.001 0.000 0.266 45 T C 1.892 176.601 174.700 0.014 0.000 1.037 45 T CA 1.862 63.955 62.100 -0.012 0.000 1.146 45 T CB -0.271 68.606 68.868 0.014 0.000 0.865 45 T HN 0.316 nan 8.240 nan 0.000 0.435 46 M N 0.863 120.470 119.600 0.012 0.000 2.080 46 M HA -0.090 4.390 4.480 0.001 0.000 0.260 46 M C 2.862 179.144 176.300 -0.030 0.000 1.068 46 M CA 1.659 56.907 55.300 -0.086 0.000 1.109 46 M CB -0.567 31.901 32.600 -0.220 0.000 1.342 46 M HN 0.320 nan 8.290 nan 0.000 0.405 47 A N 0.485 123.411 122.820 0.176 0.000 1.883 47 A HA -0.178 4.143 4.320 0.001 0.000 0.217 47 A C 2.155 179.842 177.584 0.171 0.000 1.186 47 A CA 1.606 53.873 52.037 0.383 0.000 0.624 47 A CB -0.473 18.783 19.000 0.428 0.000 0.822 47 A HN 0.300 nan 8.150 nan 0.000 0.444 48 K N -0.333 120.020 120.400 -0.078 0.000 2.148 48 K HA -0.005 4.315 4.320 0.001 0.000 0.204 48 K C 1.965 178.548 176.600 -0.029 0.000 1.050 48 K CA 1.124 57.310 56.287 -0.169 0.000 0.942 48 K CB -0.754 31.588 32.500 -0.263 0.000 0.724 48 K HN 0.374 nan 8.250 nan 0.000 0.446 49 V N 1.660 121.589 119.914 0.025 0.000 2.358 49 V HA -0.188 3.933 4.120 0.001 0.000 0.246 49 V C 2.315 178.454 176.094 0.075 0.000 1.047 49 V CA 1.307 63.658 62.300 0.085 0.000 1.035 49 V CB -0.341 31.602 31.823 0.200 0.000 0.658 49 V HN 0.166 nan 8.190 nan 0.000 0.452 50 I N 0.022 120.598 120.570 0.009 0.000 2.226 50 I HA -0.268 3.903 4.170 0.001 0.000 0.245 50 I C 2.599 178.597 176.117 -0.199 0.000 1.100 50 I CA 1.941 63.142 61.300 -0.165 0.000 1.374 50 I CB -0.327 37.376 38.000 -0.496 0.000 1.057 50 I HN 0.425 nan 8.210 nan 0.000 0.413 51 E N 1.315 121.473 120.200 -0.070 0.000 2.051 51 E HA -0.266 4.084 4.350 0.001 0.000 0.192 51 E C 2.287 178.984 176.600 0.162 0.000 0.991 51 E CA 1.436 57.919 56.400 0.138 0.000 0.799 51 E CB -0.054 29.807 29.700 0.267 0.000 0.748 51 E HN 0.478 nan 8.360 nan 0.000 0.449 52 A N 1.046 123.923 122.820 0.095 0.000 1.908 52 A HA -0.147 4.173 4.320 0.001 0.000 0.218 52 A C 2.185 179.825 177.584 0.093 0.000 1.181 52 A CA 1.318 53.406 52.037 0.085 0.000 0.627 52 A CB -0.580 18.451 19.000 0.052 0.000 0.818 52 A HN 0.335 nan 8.150 nan 0.000 0.445 53 L N -1.289 119.990 121.223 0.093 0.000 2.418 53 L HA 0.146 4.486 4.340 0.001 0.000 0.218 53 L C 1.735 178.685 176.870 0.133 0.000 1.125 53 L CA 0.456 55.351 54.840 0.090 0.000 0.835 53 L CB -0.612 41.486 42.059 0.066 0.000 0.953 53 L HN 0.568 nan 8.230 nan 0.000 0.454 54 G N 1.484 110.417 108.800 0.222 0.000 2.283 54 G HA2 -0.313 3.647 3.960 0.001 0.000 0.280 54 G HA3 -0.313 3.647 3.960 0.001 0.000 0.280 54 G C 0.153 175.208 174.900 0.259 0.000 1.029 54 G CA 0.321 45.597 45.100 0.294 0.000 0.840 54 G HN 0.406 nan 8.290 nan 0.000 0.505 55 R N 0.256 120.938 120.500 0.303 0.000 2.711 55 R HA 0.557 4.897 4.340 0.001 0.000 0.284 55 R C -2.301 174.209 176.300 0.350 0.000 0.968 55 R CA -2.096 54.150 56.100 0.244 0.000 0.924 55 R CB 1.875 32.266 30.300 0.151 0.000 1.162 55 R HN 0.074 nan 8.270 nan 0.000 0.465 56 P HA 0.059 nan 4.420 nan 0.000 0.268 56 P C -1.235 176.314 177.300 0.414 0.000 1.208 56 P CA -0.046 63.295 63.100 0.402 0.000 0.777 56 P CB 0.936 32.852 31.700 0.359 0.000 0.875 57 A N 2.318 125.365 122.820 0.379 0.000 2.435 57 A HA 0.653 4.974 4.320 0.001 0.000 0.304 57 A C -1.512 176.250 177.584 0.297 0.000 1.064 57 A CA -0.676 51.524 52.037 0.271 0.000 0.727 57 A CB 1.323 20.402 19.000 0.131 0.000 1.284 57 A HN 0.492 nan 8.150 nan 0.000 0.415 58 L N 2.174 123.506 121.223 0.181 0.000 2.333 58 L HA 0.723 5.064 4.340 0.001 0.000 0.280 58 L C -1.235 175.763 176.870 0.214 0.000 1.004 58 L CA -0.340 54.603 54.840 0.172 0.000 0.820 58 L CB 1.790 43.834 42.059 -0.025 0.000 1.247 58 L HN 0.413 nan 8.230 nan 0.000 0.416 59 V N 6.567 126.600 119.914 0.200 0.000 2.357 59 V HA 0.454 4.574 4.120 0.001 0.000 0.284 59 V C -0.058 176.173 176.094 0.228 0.000 1.018 59 V CA -0.548 61.889 62.300 0.228 0.000 0.841 59 V CB 1.377 33.297 31.823 0.160 0.000 0.991 59 V HN 0.601 nan 8.190 nan 0.000 0.437 60 L N 4.441 125.799 121.223 0.224 0.000 2.295 60 L HA 0.868 5.208 4.340 0.001 0.000 0.285 60 L C 0.346 177.308 176.870 0.153 0.000 1.035 60 L CA -0.350 54.602 54.840 0.186 0.000 0.806 60 L CB 1.723 43.881 42.059 0.164 0.000 1.214 60 L HN 0.730 nan 8.230 nan 0.000 0.426 61 A N 4.646 127.542 122.820 0.126 0.000 2.354 61 A HA 0.759 5.079 4.320 0.001 0.000 0.321 61 A C -2.069 175.542 177.584 0.044 0.000 1.125 61 A CA -1.423 50.666 52.037 0.086 0.000 0.799 61 A CB 1.239 20.287 19.000 0.080 0.000 1.293 61 A HN 0.565 nan 8.150 nan 0.000 0.452 62 P HA 0.004 nan 4.420 nan 0.000 0.236 62 P C -0.393 176.885 177.300 -0.036 0.000 1.177 62 P CA 0.948 64.029 63.100 -0.031 0.000 0.773 62 P CB -0.147 31.517 31.700 -0.061 0.000 0.878 63 N N -1.582 117.107 118.700 -0.018 0.000 2.927 63 N HA 0.126 4.866 4.740 0.001 0.000 0.248 63 N C 0.627 176.132 175.510 -0.008 0.000 1.443 63 N CA -0.998 52.030 53.050 -0.036 0.000 0.870 63 N CB 0.484 38.933 38.487 -0.063 0.000 1.444 63 N HN -0.309 nan 8.380 nan 0.000 0.519 64 K N -0.386 119.997 120.400 -0.028 0.000 2.147 64 K HA -0.047 4.273 4.320 0.001 0.000 0.205 64 K C 0.772 177.391 176.600 0.031 0.000 1.049 64 K CA 0.991 57.302 56.287 0.040 0.000 0.936 64 K CB -0.252 32.224 32.500 -0.039 0.000 0.722 64 K HN 0.429 nan 8.250 nan 0.000 0.446 65 I N 1.550 122.099 120.570 -0.035 0.000 2.233 65 I HA -0.171 3.999 4.170 0.001 0.000 0.243 65 I C 2.395 178.489 176.117 -0.039 0.000 1.093 65 I CA 0.758 62.035 61.300 -0.038 0.000 1.380 65 I CB -1.112 36.850 38.000 -0.064 0.000 1.067 65 I HN 0.203 nan 8.210 nan 0.000 0.413 66 L N 1.488 122.692 121.223 -0.031 0.000 2.093 66 L HA -0.042 4.298 4.340 0.001 0.000 0.208 66 L C 2.551 179.400 176.870 -0.036 0.000 1.085 66 L CA 1.954 56.779 54.840 -0.025 0.000 0.755 66 L CB -0.990 41.066 42.059 -0.005 0.000 0.904 66 L HN 0.180 nan 8.230 nan 0.000 0.435 67 A N -0.296 122.508 122.820 -0.027 0.000 1.865 67 A HA -0.172 4.148 4.320 0.001 0.000 0.217 67 A C 2.473 179.868 177.584 -0.315 0.000 1.191 67 A CA 2.152 54.153 52.037 -0.059 0.000 0.623 67 A CB -1.282 17.772 19.000 0.090 0.000 0.826 67 A HN 0.559 nan 8.150 nan 0.000 0.444 68 A N -1.000 121.571 122.820 -0.414 0.000 1.902 68 A HA -0.221 4.100 4.320 0.001 0.000 0.217 68 A C 2.135 179.577 177.584 -0.237 0.000 1.181 68 A CA 1.730 53.455 52.037 -0.520 0.000 0.623 68 A CB -0.592 18.271 19.000 -0.228 0.000 0.818 68 A HN 0.673 nan 8.150 nan 0.000 0.443 69 Q N -0.602 119.117 119.800 -0.135 0.000 2.084 69 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 69 Q C 2.091 178.037 176.000 -0.090 0.000 0.978 69 Q CA 1.405 57.155 55.803 -0.087 0.000 0.844 69 Q CB -0.290 28.410 28.738 -0.064 0.000 0.898 69 Q HN 0.684 nan 8.270 nan 0.000 0.426 70 L N -0.050 121.127 121.223 -0.077 0.000 2.056 70 L HA -0.172 4.168 4.340 0.001 0.000 0.207 70 L C 2.497 179.404 176.870 0.061 0.000 1.078 70 L CA 0.889 55.698 54.840 -0.051 0.000 0.749 70 L CB -0.551 41.548 42.059 0.066 0.000 0.901 70 L HN 0.218 nan 8.230 nan 0.000 0.433 71 A N 0.069 122.918 122.820 0.048 0.000 1.908 71 A HA -0.219 4.101 4.320 0.001 0.000 0.218 71 A C 2.528 180.173 177.584 0.102 0.000 1.181 71 A CA 1.855 53.962 52.037 0.116 0.000 0.627 71 A CB -0.765 18.211 19.000 -0.040 0.000 0.818 71 A HN 0.412 nan 8.150 nan 0.000 0.445 72 A N -0.369 122.457 122.820 0.009 0.000 1.902 72 A HA -0.196 4.124 4.320 0.001 0.000 0.217 72 A C 1.962 179.550 177.584 0.007 0.000 1.181 72 A CA 1.727 53.772 52.037 0.013 0.000 0.623 72 A CB -0.543 18.445 19.000 -0.019 0.000 0.818 72 A HN 0.648 nan 8.150 nan 0.000 0.443 73 E N -1.280 118.887 120.200 -0.055 0.000 2.047 73 E HA -0.150 4.200 4.350 0.001 0.000 0.191 73 E C 1.716 178.264 176.600 -0.087 0.000 0.987 73 E CA 1.168 57.490 56.400 -0.131 0.000 0.799 73 E CB -0.277 29.262 29.700 -0.268 0.000 0.752 73 E HN 0.648 nan 8.360 nan 0.000 0.449 74 F N 1.115 121.099 119.950 0.057 0.000 2.171 74 F HA -0.110 4.418 4.527 0.001 0.000 0.300 74 F C 2.418 178.326 175.800 0.180 0.000 1.090 74 F CA 1.049 59.142 58.000 0.154 0.000 1.293 74 F CB -0.278 38.828 39.000 0.177 0.000 1.013 74 F HN -0.116 nan 8.300 nan 0.000 0.486 75 R N 0.228 120.901 120.500 0.289 0.000 2.091 75 R HA -0.183 4.157 4.340 0.001 0.000 0.238 75 R C 2.061 178.440 176.300 0.131 0.000 1.136 75 R CA 1.792 58.016 56.100 0.207 0.000 0.959 75 R CB -0.378 30.006 30.300 0.141 0.000 0.856 75 R HN 0.384 nan 8.270 nan 0.000 0.437 76 E N 0.173 120.406 120.200 0.056 0.000 2.152 76 E HA -0.138 4.212 4.350 0.001 0.000 0.192 76 E C 1.900 178.435 176.600 -0.107 0.000 0.983 76 E CA 0.833 57.218 56.400 -0.025 0.000 0.818 76 E CB 0.055 29.722 29.700 -0.056 0.000 0.758 76 E HN 0.324 nan 8.360 nan 0.000 0.467 77 L N -0.530 120.610 121.223 -0.139 0.000 2.341 77 L HA 0.012 4.352 4.340 0.001 0.000 0.214 77 L C 0.432 176.943 176.870 -0.599 0.000 1.115 77 L CA 0.439 55.014 54.840 -0.442 0.000 0.820 77 L CB 0.271 42.075 42.059 -0.426 0.000 0.944 77 L HN 0.040 nan 8.230 nan 0.000 0.452 78 F N -0.223 119.782 119.950 0.091 0.000 2.564 78 F HA 0.293 4.821 4.527 0.001 0.000 0.329 78 F C -1.460 174.405 175.800 0.109 0.000 1.458 78 F CA -2.042 56.040 58.000 0.137 0.000 1.117 78 F CB 0.251 39.387 39.000 0.228 0.000 1.383 78 F HN -0.161 nan 8.300 nan 0.000 0.571 79 P HA -0.187 nan 4.420 nan 0.000 0.221 79 P C 0.419 177.797 177.300 0.130 0.000 1.145 79 P CA 1.609 64.782 63.100 0.121 0.000 0.795 79 P CB 0.367 32.098 31.700 0.051 0.000 0.775 80 E N -1.240 119.054 120.200 0.156 0.000 2.481 80 E HA 0.116 4.467 4.350 0.001 0.000 0.198 80 E C 0.542 177.215 176.600 0.122 0.000 1.027 80 E CA -0.185 56.287 56.400 0.120 0.000 0.900 80 E CB 0.091 29.854 29.700 0.104 0.000 0.993 80 E HN 0.370 nan 8.360 nan 0.000 0.482 81 N N 0.918 119.727 118.700 0.181 0.000 2.592 81 N HA 0.394 5.135 4.740 0.001 0.000 0.292 81 N C -0.689 174.893 175.510 0.120 0.000 1.260 81 N CA -0.556 52.572 53.050 0.130 0.000 0.910 81 N CB 1.152 39.757 38.487 0.196 0.000 1.257 81 N HN -0.062 nan 8.380 nan 0.000 0.569 82 A N 0.786 123.652 122.820 0.076 0.000 2.391 82 A HA 0.422 4.743 4.320 0.001 0.000 0.316 82 A C -0.330 177.314 177.584 0.099 0.000 1.381 82 A CA -0.463 51.616 52.037 0.071 0.000 0.998 82 A CB -0.413 18.598 19.000 0.019 0.000 1.147 82 A HN 0.328 nan 8.150 nan 0.000 0.545 83 V N 4.468 124.460 119.914 0.129 0.000 2.350 83 V HA 0.333 4.453 4.120 0.001 0.000 0.276 83 V C -0.248 175.934 176.094 0.147 0.000 1.028 83 V CA -0.452 61.934 62.300 0.143 0.000 0.860 83 V CB 1.157 33.106 31.823 0.209 0.000 0.990 83 V HN 0.878 nan 8.190 nan 0.000 0.453 84 E N 3.423 123.711 120.200 0.147 0.000 2.244 84 E HA 0.404 4.754 4.350 0.001 0.000 0.266 84 E C -1.462 175.315 176.600 0.295 0.000 0.914 84 E CA -0.779 55.731 56.400 0.184 0.000 0.794 84 E CB 2.864 32.638 29.700 0.122 0.000 1.210 84 E HN 0.538 nan 8.360 nan 0.000 0.414 85 Y N 1.976 122.366 120.300 0.150 0.000 2.376 85 Y HA 0.313 4.863 4.550 0.001 0.000 0.326 85 Y C -1.408 174.610 175.900 0.197 0.000 0.970 85 Y CA -1.936 56.265 58.100 0.168 0.000 1.248 85 Y CB 0.255 38.796 38.460 0.135 0.000 1.117 85 Y HN 0.434 nan 8.280 nan 0.000 0.476 86 F N 8.338 128.336 119.950 0.080 0.000 2.605 86 F HA 0.338 4.865 4.527 0.001 0.000 0.352 86 F C 0.094 175.762 175.800 -0.219 0.000 1.236 86 F CA -0.707 57.240 58.000 -0.089 0.000 1.267 86 F CB -0.408 38.584 39.000 -0.012 0.000 1.632 86 F HN 0.560 nan 8.300 nan 0.000 0.639 87 I N 2.003 122.139 120.570 -0.724 0.000 3.004 87 I HA 0.189 4.360 4.170 0.001 0.000 0.287 87 I C -0.008 175.830 176.117 -0.466 0.000 1.144 87 I CA 0.308 61.200 61.300 -0.680 0.000 1.353 87 I CB 0.655 38.184 38.000 -0.786 0.000 1.417 87 I HN 0.288 nan 8.210 nan 0.000 0.602 88 S N 3.962 119.524 115.700 -0.230 0.000 2.542 88 S HA 0.216 4.686 4.470 0.001 0.000 0.293 88 S C 0.093 174.639 174.600 -0.091 0.000 1.089 88 S CA -0.563 57.531 58.200 -0.177 0.000 0.961 88 S CB 1.436 64.601 63.200 -0.059 0.000 1.062 88 S HN 0.636 nan 8.310 nan 0.000 0.483 89 Y N 0.999 121.239 120.300 -0.100 0.000 2.333 89 Y HA -0.124 4.426 4.550 0.001 0.000 0.290 89 Y C 1.352 177.260 175.900 0.014 0.000 1.144 89 Y CA 1.239 59.330 58.100 -0.015 0.000 1.228 89 Y CB -0.893 37.462 38.460 -0.176 0.000 0.985 89 Y HN 0.702 nan 8.280 nan 0.000 0.542 90 Y N 1.590 121.445 120.300 -0.742 0.000 2.298 90 Y HA -0.232 4.319 4.550 0.001 0.000 0.287 90 Y C 1.966 177.707 175.900 -0.263 0.000 1.164 90 Y CA 1.593 59.352 58.100 -0.568 0.000 1.229 90 Y CB -0.542 37.552 38.460 -0.611 0.000 0.977 90 Y HN 0.291 nan 8.280 nan 0.000 0.538 91 D N -1.979 118.375 120.400 -0.077 0.000 2.183 91 D HA -0.142 4.498 4.640 0.001 0.000 0.203 91 D C 1.085 177.054 176.300 -0.553 0.000 0.969 91 D CA 1.492 55.324 54.000 -0.279 0.000 0.842 91 D CB -0.143 40.510 40.800 -0.246 0.000 0.957 91 D HN 0.431 nan 8.370 nan 0.000 0.484 92 Y N -2.046 118.252 120.300 -0.004 0.000 2.425 92 Y HA 0.181 4.731 4.550 0.001 0.000 0.261 92 Y C 0.082 175.817 175.900 -0.274 0.000 1.084 92 Y CA -0.342 57.676 58.100 -0.136 0.000 1.248 92 Y CB 0.585 38.910 38.460 -0.226 0.000 1.270 92 Y HN -0.181 nan 8.280 nan 0.000 0.524 93 Y N 0.050 120.465 120.300 0.192 0.000 2.621 93 Y HA 0.463 5.013 4.550 0.001 0.000 0.334 93 Y C 0.229 176.205 175.900 0.126 0.000 1.074 93 Y CA -1.658 56.533 58.100 0.153 0.000 1.149 93 Y CB 0.812 39.364 38.460 0.153 0.000 1.302 93 Y HN -0.301 nan 8.280 nan 0.000 0.501 94 Q N 3.829 123.783 119.800 0.257 0.000 2.288 94 Q HA 0.262 4.603 4.340 0.001 0.000 0.258 94 Q C -2.408 173.680 176.000 0.146 0.000 0.957 94 Q CA -1.718 54.167 55.803 0.136 0.000 0.919 94 Q CB 1.389 30.157 28.738 0.051 0.000 1.185 94 Q HN 0.346 nan 8.270 nan 0.000 0.408 95 P HA 0.158 nan 4.420 nan 0.000 0.284 95 P C -0.652 176.658 177.300 0.016 0.000 1.292 95 P CA -0.508 62.707 63.100 0.192 0.000 0.800 95 P CB 0.982 32.847 31.700 0.276 0.000 1.188 96 E N -0.281 119.919 120.200 -0.001 0.000 2.338 96 E HA 0.457 4.808 4.350 0.001 0.000 0.272 96 E C -0.990 175.546 176.600 -0.108 0.000 1.029 96 E CA -0.437 55.899 56.400 -0.108 0.000 0.872 96 E CB 0.295 29.989 29.700 -0.010 0.000 1.015 96 E HN 0.539 nan 8.360 nan 0.000 0.417 97 A N 3.895 126.563 122.820 -0.252 0.000 2.610 97 A HA 0.450 4.770 4.320 0.001 0.000 0.291 97 A C -2.175 175.276 177.584 -0.222 0.000 1.086 97 A CA -0.647 51.288 52.037 -0.170 0.000 0.677 97 A CB 1.192 20.109 19.000 -0.139 0.000 1.278 97 A HN 0.612 nan 8.150 nan 0.000 0.414 98 Y N 0.790 120.925 120.300 -0.276 0.000 2.346 98 Y HA 0.575 5.125 4.550 0.000 0.000 0.332 98 Y C -1.312 174.460 175.900 -0.213 0.000 0.985 98 Y CA -0.969 56.944 58.100 -0.312 0.000 1.112 98 Y CB 2.029 40.255 38.460 -0.390 0.000 1.170 98 Y HN 0.528 nan 8.280 nan 0.000 0.447 99 V N 10.152 129.590 119.914 -0.792 0.000 2.294 99 V HA 0.254 4.374 4.120 0.001 0.000 0.272 99 V C -1.954 173.551 176.094 -0.981 0.000 1.027 99 V CA -1.569 60.343 62.300 -0.647 0.000 0.823 99 V CB 1.107 32.707 31.823 -0.372 0.000 1.030 99 V HN 0.727 nan 8.190 nan 0.000 0.457 100 P HA -0.122 nan 4.420 nan 0.000 0.214 100 P C 1.780 178.884 177.300 -0.326 0.000 1.163 100 P CA 1.636 64.325 63.100 -0.686 0.000 0.883 100 P CB 0.200 31.690 31.700 -0.351 0.000 0.788 101 G N -0.333 108.336 108.800 -0.218 0.000 2.499 101 G HA2 -0.245 3.715 3.960 0.001 0.000 0.221 101 G HA3 -0.245 3.715 3.960 0.001 0.000 0.221 101 G C 1.219 176.054 174.900 -0.109 0.000 1.109 101 G CA 0.835 45.866 45.100 -0.115 0.000 0.749 101 G HN 0.343 nan 8.290 nan 0.000 0.568 102 K N -0.360 119.939 120.400 -0.169 0.000 2.413 102 K HA 0.133 4.454 4.320 0.001 0.000 0.204 102 K C 0.324 176.859 176.600 -0.107 0.000 1.041 102 K CA 0.090 56.307 56.287 -0.117 0.000 1.082 102 K CB 0.829 33.256 32.500 -0.121 0.000 0.871 102 K HN 0.063 nan 8.250 nan 0.000 0.535 103 D N 2.072 122.375 120.400 -0.161 0.000 2.704 103 D HA -0.216 4.424 4.640 0.001 0.000 0.232 103 D C -1.158 175.159 176.300 0.028 0.000 1.183 103 D CA 0.639 54.625 54.000 -0.023 0.000 0.647 103 D CB -0.788 40.085 40.800 0.122 0.000 1.013 103 D HN 0.257 nan 8.370 nan 0.000 0.415 104 L N 1.672 122.777 121.223 -0.198 0.000 2.325 104 L HA 0.439 4.780 4.340 0.001 0.000 0.281 104 L C -0.766 176.102 176.870 -0.004 0.000 1.004 104 L CA -1.203 53.603 54.840 -0.057 0.000 0.823 104 L CB 1.117 43.105 42.059 -0.118 0.000 1.236 104 L HN 0.111 nan 8.230 nan 0.000 0.415 105 Y N 5.848 126.173 120.300 0.041 0.000 2.320 105 Y HA 0.571 5.121 4.550 0.000 0.000 0.334 105 Y C -0.738 175.113 175.900 -0.082 0.000 1.055 105 Y CA -0.613 57.454 58.100 -0.056 0.000 1.143 105 Y CB 1.088 39.520 38.460 -0.047 0.000 1.193 105 Y HN 0.430 nan 8.280 nan 0.000 0.477 106 I N 6.201 126.263 120.570 -0.847 0.000 2.389 106 I HA 0.261 4.431 4.170 0.001 0.000 0.288 106 I C -0.502 175.081 176.117 -0.890 0.000 0.999 106 I CA -0.647 60.269 61.300 -0.641 0.000 1.129 106 I CB 1.524 39.314 38.000 -0.350 0.000 1.288 106 I HN 0.586 nan 8.210 nan 0.000 0.444 107 E N 5.727 125.572 120.200 -0.592 0.000 2.366 107 E HA 0.164 4.514 4.350 0.001 0.000 0.266 107 E C -0.382 176.091 176.600 -0.211 0.000 1.051 107 E CA -0.729 55.463 56.400 -0.348 0.000 0.884 107 E CB 0.850 30.493 29.700 -0.095 0.000 1.006 107 E HN 0.472 nan 8.360 nan 0.000 0.417 108 K N 2.024 122.333 120.400 -0.153 0.000 2.326 108 K HA 0.116 4.437 4.320 0.001 0.000 0.275 108 K C -0.501 176.010 176.600 -0.149 0.000 1.018 108 K CA -0.598 55.602 56.287 -0.146 0.000 0.962 108 K CB 0.559 32.940 32.500 -0.197 0.000 0.953 108 K HN 0.209 nan 8.250 nan 0.000 0.475 109 D N 1.345 121.668 120.400 -0.129 0.000 2.455 109 D HA 0.102 4.742 4.640 0.001 0.000 0.241 109 D C -0.189 175.968 176.300 -0.239 0.000 1.138 109 D CA 0.339 54.267 54.000 -0.120 0.000 0.877 109 D CB 1.162 41.961 40.800 -0.002 0.000 1.187 109 D HN 0.687 nan 8.370 nan 0.000 0.451 110 A N 1.328 124.040 122.820 -0.180 0.000 2.299 110 A HA 0.542 4.862 4.320 0.001 0.000 0.332 110 A C 0.347 177.815 177.584 -0.193 0.000 1.131 110 A CA -0.165 51.760 52.037 -0.187 0.000 0.844 110 A CB 0.681 19.616 19.000 -0.109 0.000 1.251 110 A HN 0.931 nan 8.150 nan 0.000 0.486 111 S N -0.693 114.902 115.700 -0.175 0.000 3.405 111 S HA -0.188 4.283 4.470 0.001 0.000 0.373 111 S C 0.118 174.603 174.600 -0.192 0.000 0.939 111 S CA 0.993 59.105 58.200 -0.146 0.000 1.295 111 S CB -2.646 60.503 63.200 -0.085 0.000 0.919 111 S HN 1.905 nan 8.310 nan 0.000 0.535 112 I N -1.972 118.402 120.570 -0.328 0.000 3.276 112 I HA 0.442 4.612 4.170 0.001 0.000 0.306 112 I C 0.937 176.939 176.117 -0.193 0.000 1.060 112 I CA -0.987 60.024 61.300 -0.482 0.000 1.133 112 I CB 0.322 37.640 38.000 -1.136 0.000 1.473 112 I HN 0.337 nan 8.210 nan 0.000 0.649 113 N N 2.646 121.332 118.700 -0.023 0.000 2.365 113 N HA 0.009 4.749 4.740 0.001 0.000 0.265 113 N C -1.773 173.744 175.510 0.011 0.000 1.288 113 N CA -0.786 52.302 53.050 0.062 0.000 0.869 113 N CB 0.873 39.458 38.487 0.164 0.000 1.071 113 N HN 0.438 nan 8.380 nan 0.000 0.480 114 P HA -0.118 nan 4.420 nan 0.000 0.219 114 P C 0.907 178.217 177.300 0.017 0.000 1.146 114 P CA 0.919 64.018 63.100 -0.002 0.000 0.808 114 P CB 0.306 32.004 31.700 -0.004 0.000 0.779 115 E N -0.158 120.057 120.200 0.025 0.000 2.209 115 E HA -0.176 4.174 4.350 0.001 0.000 0.196 115 E C 1.774 178.387 176.600 0.023 0.000 0.993 115 E CA 1.044 57.462 56.400 0.029 0.000 0.819 115 E CB -1.018 28.700 29.700 0.029 0.000 0.745 115 E HN 0.193 nan 8.360 nan 0.000 0.477 116 I N 0.416 121.003 120.570 0.028 0.000 2.113 116 I HA -0.228 3.942 4.170 0.001 0.000 0.238 116 I C 2.325 178.430 176.117 -0.021 0.000 1.070 116 I CA 1.326 62.629 61.300 0.004 0.000 1.332 116 I CB -0.341 37.698 38.000 0.065 0.000 1.044 116 I HN 0.143 nan 8.210 nan 0.000 0.402 117 E N 0.499 120.713 120.200 0.024 0.000 2.153 117 E HA -0.220 4.130 4.350 0.001 0.000 0.194 117 E C 2.191 178.894 176.600 0.172 0.000 0.988 117 E CA 0.797 57.253 56.400 0.094 0.000 0.811 117 E CB -0.217 29.562 29.700 0.133 0.000 0.746 117 E HN 0.367 nan 8.360 nan 0.000 0.466 118 R N 0.509 121.073 120.500 0.107 0.000 2.092 118 R HA -0.063 4.277 4.340 0.001 0.000 0.231 118 R C 2.469 178.832 176.300 0.105 0.000 1.119 118 R CA 0.692 56.861 56.100 0.115 0.000 0.970 118 R CB -0.133 30.204 30.300 0.063 0.000 0.864 118 R HN 0.141 nan 8.270 nan 0.000 0.440 119 L N -0.035 121.215 121.223 0.045 0.000 2.093 119 L HA -0.110 4.230 4.340 0.001 0.000 0.208 119 L C 2.636 179.522 176.870 0.026 0.000 1.085 119 L CA 1.257 56.113 54.840 0.027 0.000 0.755 119 L CB -0.251 41.780 42.059 -0.046 0.000 0.904 119 L HN 0.167 nan 8.230 nan 0.000 0.435 120 R N -1.314 119.153 120.500 -0.056 0.000 2.075 120 R HA -0.113 4.227 4.340 0.001 0.000 0.232 120 R C 2.323 178.684 176.300 0.101 0.000 1.126 120 R CA 0.959 57.012 56.100 -0.079 0.000 0.963 120 R CB -0.343 29.753 30.300 -0.341 0.000 0.858 120 R HN 0.411 nan 8.270 nan 0.000 0.435 121 H N -0.547 118.632 119.070 0.181 0.000 2.395 121 H HA -0.018 4.538 4.556 0.001 0.000 0.299 121 H C 2.237 177.629 175.328 0.106 0.000 1.070 121 H CA 1.448 57.598 56.048 0.170 0.000 1.356 121 H CB -0.022 29.794 29.762 0.090 0.000 1.401 121 H HN 0.151 nan 8.280 nan 0.000 0.524 122 S N 0.000 115.805 115.700 0.174 0.000 2.382 122 S HA -0.135 4.335 4.470 0.001 0.000 0.228 122 S C 2.104 176.733 174.600 0.048 0.000 1.027 122 S CA 1.695 59.952 58.200 0.096 0.000 0.991 122 S CB -0.181 63.072 63.200 0.089 0.000 0.823 122 S HN 0.399 nan 8.310 nan 0.000 0.469 123 T N 0.572 115.166 114.554 0.068 0.000 2.643 123 T HA -0.104 4.247 4.350 0.001 0.000 0.264 123 T C 2.030 176.638 174.700 -0.153 0.000 1.045 123 T CA 1.957 64.054 62.100 -0.005 0.000 1.155 123 T CB -1.091 67.850 68.868 0.123 0.000 0.863 123 T HN 0.568 nan 8.240 nan 0.000 0.420 124 T N 1.578 116.028 114.554 -0.173 0.000 2.821 124 T HA -0.107 4.243 4.350 0.001 0.000 0.267 124 T C 2.167 176.827 174.700 -0.067 0.000 1.046 124 T CA 0.950 62.889 62.100 -0.267 0.000 1.139 124 T CB -0.234 68.334 68.868 -0.500 0.000 0.871 124 T HN 0.090 nan 8.240 nan 0.000 0.454 125 R N 0.635 121.110 120.500 -0.042 0.000 2.066 125 R HA 0.011 4.351 4.340 0.001 0.000 0.232 125 R C 2.604 178.730 176.300 -0.289 0.000 1.131 125 R CA 1.845 57.772 56.100 -0.288 0.000 0.955 125 R CB -1.046 29.120 30.300 -0.224 0.000 0.851 125 R HN 0.384 nan 8.270 nan 0.000 0.432 126 S N 1.341 116.943 115.700 -0.165 0.000 2.368 126 S HA -0.068 4.403 4.470 0.001 0.000 0.225 126 S C 2.029 176.533 174.600 -0.160 0.000 1.030 126 S CA 1.095 59.213 58.200 -0.136 0.000 0.999 126 S CB -0.217 62.930 63.200 -0.089 0.000 0.844 126 S HN 0.298 nan 8.310 nan 0.000 0.459 127 L N 0.937 122.032 121.223 -0.214 0.000 2.187 127 L HA -0.068 4.273 4.340 0.001 0.000 0.213 127 L C 1.804 178.582 176.870 -0.153 0.000 1.100 127 L CA 0.944 55.621 54.840 -0.272 0.000 0.765 127 L CB -0.394 41.393 42.059 -0.453 0.000 0.904 127 L HN 0.317 nan 8.230 nan 0.000 0.437 128 L N -1.193 119.970 121.223 -0.100 0.000 2.529 128 L HA 0.005 4.346 4.340 0.001 0.000 0.223 128 L C 2.087 178.955 176.870 -0.002 0.000 1.113 128 L CA 0.954 55.786 54.840 -0.012 0.000 0.861 128 L CB -0.292 41.821 42.059 0.089 0.000 1.012 128 L HN 0.380 nan 8.230 nan 0.000 0.461 129 T N -2.953 111.564 114.554 -0.061 0.000 2.975 129 T HA 0.190 4.540 4.350 0.001 0.000 0.257 129 T C 0.693 175.380 174.700 -0.022 0.000 1.003 129 T CA -0.512 61.582 62.100 -0.010 0.000 0.932 129 T CB 0.341 69.197 68.868 -0.020 0.000 1.087 129 T HN 0.304 nan 8.240 nan 0.000 0.512 130 R N -0.672 119.796 120.500 -0.054 0.000 2.734 130 R HA 0.599 4.940 4.340 0.001 0.000 0.271 130 R C -0.334 175.916 176.300 -0.083 0.000 1.021 130 R CA -1.064 54.997 56.100 -0.064 0.000 0.893 130 R CB 1.219 31.476 30.300 -0.072 0.000 1.244 130 R HN -0.154 nan 8.270 nan 0.000 0.464 131 R N -0.075 120.361 120.500 -0.106 0.000 2.282 131 R HA 0.023 4.363 4.340 0.001 0.000 0.195 131 R C -0.306 175.861 176.300 -0.222 0.000 0.909 131 R CA 0.611 56.645 56.100 -0.110 0.000 1.039 131 R CB 0.288 30.536 30.300 -0.087 0.000 1.015 131 R HN 0.663 nan 8.270 nan 0.000 0.513 132 D N 1.281 121.458 120.400 -0.371 0.000 2.713 132 D HA 0.048 4.689 4.640 0.001 0.000 0.229 132 D C -0.466 175.680 176.300 -0.256 0.000 1.136 132 D CA 0.014 53.544 54.000 -0.783 0.000 1.010 132 D CB 0.310 40.655 40.800 -0.759 0.000 1.084 132 D HN -0.206 nan 8.370 nan 0.000 0.495 133 V N 1.079 121.004 119.914 0.019 0.000 2.540 133 V HA 0.435 4.556 4.120 0.001 0.000 0.302 133 V C 0.185 176.404 176.094 0.209 0.000 1.035 133 V CA -0.883 61.480 62.300 0.106 0.000 0.873 133 V CB 2.042 33.857 31.823 -0.014 0.000 0.992 133 V HN 0.245 nan 8.190 nan 0.000 0.428 134 I N 4.401 125.029 120.570 0.096 0.000 2.418 134 I HA 0.510 4.680 4.170 0.001 0.000 0.287 134 I C -0.760 175.377 176.117 0.034 0.000 1.008 134 I CA -0.717 60.559 61.300 -0.040 0.000 1.104 134 I CB 2.123 39.907 38.000 -0.362 0.000 1.264 134 I HN 0.298 nan 8.210 nan 0.000 0.438 135 V N 7.152 127.148 119.914 0.136 0.000 2.417 135 V HA 0.460 4.580 4.120 0.001 0.000 0.291 135 V C -0.070 176.151 176.094 0.213 0.000 1.024 135 V CA -0.698 61.721 62.300 0.198 0.000 0.861 135 V CB 1.967 33.956 31.823 0.277 0.000 0.985 135 V HN 0.373 nan 8.190 nan 0.000 0.436 136 V N 3.651 123.718 119.914 0.255 0.000 2.513 136 V HA 0.972 5.092 4.120 0.001 0.000 0.299 136 V C 0.245 176.574 176.094 0.393 0.000 1.035 136 V CA -0.195 62.270 62.300 0.276 0.000 0.889 136 V CB 1.511 33.480 31.823 0.243 0.000 0.988 136 V HN 1.114 nan 8.190 nan 0.000 0.440 137 A N 2.806 125.834 122.820 0.346 0.000 2.610 137 A HA 0.858 5.178 4.320 0.001 0.000 0.291 137 A C -0.304 177.447 177.584 0.278 0.000 1.086 137 A CA -0.189 52.081 52.037 0.387 0.000 0.677 137 A CB 1.721 20.950 19.000 0.382 0.000 1.278 137 A HN 1.084 nan 8.150 nan 0.000 0.414 138 S N -0.263 115.586 115.700 0.248 0.000 2.652 138 S HA 0.431 4.901 4.470 0.001 0.000 0.270 138 S C 0.993 175.664 174.600 0.119 0.000 1.243 138 S CA 0.070 58.356 58.200 0.143 0.000 0.999 138 S CB 1.040 64.296 63.200 0.094 0.000 0.973 138 S HN 1.200 nan 8.310 nan 0.000 0.544 139 V N 2.082 122.031 119.914 0.058 0.000 2.490 139 V HA -0.170 3.950 4.120 0.001 0.000 0.250 139 V C 2.918 179.034 176.094 0.037 0.000 1.061 139 V CA 2.233 64.551 62.300 0.030 0.000 1.064 139 V CB -1.496 30.301 31.823 -0.043 0.000 0.670 139 V HN 1.074 nan 8.190 nan 0.000 0.461 140 S N 1.015 116.719 115.700 0.006 0.000 2.442 140 S HA -0.123 4.347 4.470 0.001 0.000 0.236 140 S C 1.959 176.563 174.600 0.007 0.000 1.007 140 S CA 1.196 59.374 58.200 -0.036 0.000 0.965 140 S CB -0.435 62.701 63.200 -0.106 0.000 0.773 140 S HN 0.587 nan 8.310 nan 0.000 0.504 141 A N 1.314 124.192 122.820 0.097 0.000 2.066 141 A HA 0.281 4.602 4.320 0.001 0.000 0.218 141 A C 0.931 178.693 177.584 0.297 0.000 1.157 141 A CA 0.291 52.442 52.037 0.189 0.000 0.670 141 A CB -0.440 18.726 19.000 0.277 0.000 0.804 141 A HN 0.523 nan 8.150 nan 0.000 0.453 142 I N 0.365 121.084 120.570 0.248 0.000 2.372 142 I HA 0.298 4.468 4.170 0.001 0.000 0.298 142 I C -0.307 175.992 176.117 0.304 0.000 1.137 142 I CA 0.325 61.785 61.300 0.266 0.000 1.314 142 I CB -1.685 36.460 38.000 0.242 0.000 1.444 142 I HN 0.328 nan 8.210 nan 0.000 0.541 143 Y N 3.417 123.809 120.300 0.153 0.000 2.728 143 Y HA 0.621 5.172 4.550 0.001 0.000 0.330 143 Y C 0.772 176.777 175.900 0.175 0.000 1.234 143 Y CA -0.902 57.280 58.100 0.135 0.000 1.070 143 Y CB 1.667 40.190 38.460 0.106 0.000 1.300 143 Y HN 0.533 nan 8.280 nan 0.000 0.467 144 G N 1.978 110.854 108.800 0.126 0.000 2.414 144 G HA2 0.385 4.346 3.960 0.001 0.000 0.236 144 G HA3 0.385 4.346 3.960 0.001 0.000 0.236 144 G C -1.570 173.548 174.900 0.363 0.000 1.293 144 G CA 0.195 45.422 45.100 0.211 0.000 0.869 144 G HN 0.534 nan 8.290 nan 0.000 0.556 145 L N 1.243 122.639 121.223 0.288 0.000 2.469 145 L HA 0.761 5.102 4.340 0.001 0.000 0.256 145 L C 0.706 177.684 176.870 0.179 0.000 1.006 145 L CA -0.242 54.698 54.840 0.166 0.000 0.832 145 L CB 1.697 43.783 42.059 0.045 0.000 1.421 145 L HN 0.796 nan 8.230 nan 0.000 0.410 146 G N 0.227 109.006 108.800 -0.034 0.000 2.716 146 G HA2 0.142 4.103 3.960 0.001 0.000 0.251 146 G HA3 0.142 4.103 3.960 0.001 0.000 0.251 146 G C -0.680 174.232 174.900 0.019 0.000 1.224 146 G CA -0.300 44.841 45.100 0.069 0.000 0.891 146 G HN 0.708 nan 8.290 nan 0.000 0.561 147 D N 0.155 120.485 120.400 -0.117 0.000 2.401 147 D HA 0.145 4.785 4.640 0.001 0.000 0.254 147 D C -1.229 174.777 176.300 -0.490 0.000 1.192 147 D CA -1.773 51.817 54.000 -0.683 0.000 0.885 147 D CB 1.526 42.085 40.800 -0.401 0.000 1.147 147 D HN -0.084 nan 8.370 nan 0.000 0.478 148 P HA -0.064 nan 4.420 nan 0.000 0.218 148 P C 1.218 178.337 177.300 -0.302 0.000 1.149 148 P CA 0.954 63.550 63.100 -0.840 0.000 0.817 148 P CB 0.293 31.301 31.700 -1.153 0.000 0.785 149 R N -0.327 119.999 120.500 -0.290 0.000 2.083 149 R HA -0.175 4.165 4.340 0.001 0.000 0.237 149 R C 2.214 178.492 176.300 -0.037 0.000 1.137 149 R CA 1.367 57.391 56.100 -0.127 0.000 0.951 149 R CB -0.694 29.538 30.300 -0.114 0.000 0.851 149 R HN 0.145 nan 8.270 nan 0.000 0.434 150 E N 0.074 120.264 120.200 -0.017 0.000 2.047 150 E HA -0.188 4.162 4.350 0.001 0.000 0.191 150 E C 1.639 178.308 176.600 0.116 0.000 0.987 150 E CA 1.128 57.562 56.400 0.056 0.000 0.799 150 E CB -0.325 29.433 29.700 0.095 0.000 0.752 150 E HN 0.330 nan 8.360 nan 0.000 0.449 151 Y N 0.838 121.163 120.300 0.042 0.000 2.224 151 Y HA -0.200 4.351 4.550 0.001 0.000 0.289 151 Y C 2.407 178.402 175.900 0.159 0.000 1.146 151 Y CA 2.161 60.348 58.100 0.145 0.000 1.182 151 Y CB -0.015 38.600 38.460 0.258 0.000 0.983 151 Y HN -0.062 nan 8.280 nan 0.000 0.524 152 R N 0.023 120.628 120.500 0.175 0.000 2.062 152 R HA -0.070 4.270 4.340 0.001 0.000 0.229 152 R C 2.307 178.589 176.300 -0.029 0.000 1.128 152 R CA 1.173 57.339 56.100 0.109 0.000 0.960 152 R CB -0.540 29.825 30.300 0.108 0.000 0.855 152 R HN 0.370 nan 8.270 nan 0.000 0.432 153 A N 0.685 123.489 122.820 -0.027 0.000 2.067 153 A HA -0.043 4.278 4.320 0.001 0.000 0.219 153 A C 1.147 178.675 177.584 -0.093 0.000 1.158 153 A CA 0.625 52.629 52.037 -0.055 0.000 0.661 153 A CB -0.144 18.839 19.000 -0.028 0.000 0.801 153 A HN 0.187 nan 8.150 nan 0.000 0.452 154 R N 1.721 122.158 120.500 -0.106 0.000 2.565 154 R HA 0.203 4.543 4.340 0.001 0.000 0.286 154 R C -0.892 175.268 176.300 -0.235 0.000 1.256 154 R CA -0.098 55.927 56.100 -0.124 0.000 1.238 154 R CB 0.049 30.315 30.300 -0.056 0.000 1.153 154 R HN 0.738 nan 8.270 nan 0.000 0.553 155 N N 2.841 121.377 118.700 -0.273 0.000 2.357 155 N HA 0.271 5.011 4.740 0.001 0.000 0.284 155 N C -1.417 173.942 175.510 -0.252 0.000 1.236 155 N CA -0.831 51.984 53.050 -0.392 0.000 0.774 155 N CB 1.971 40.029 38.487 -0.715 0.000 1.534 155 N HN 0.245 nan 8.380 nan 0.000 0.478 156 L N 0.690 121.783 121.223 -0.217 0.000 2.333 156 L HA 0.810 5.150 4.340 0.001 0.000 0.280 156 L C -0.603 176.169 176.870 -0.164 0.000 1.004 156 L CA -0.592 54.162 54.840 -0.143 0.000 0.820 156 L CB 1.021 43.037 42.059 -0.071 0.000 1.247 156 L HN 0.673 nan 8.230 nan 0.000 0.416 237 F N -0.478 119.474 119.950 0.004 0.000 2.686 237 F HA 0.631 5.158 4.527 0.001 0.000 0.315 237 F C -1.361 174.440 175.800 0.002 0.000 1.088 237 F CA -1.473 56.537 58.000 0.016 0.000 1.034 237 F CB 0.799 39.813 39.000 0.022 0.000 1.280 237 F HN 0.328 nan 8.300 nan 0.000 0.463 238 V N 4.743 124.794 119.914 0.228 0.000 2.385 238 V HA 0.329 4.449 4.120 0.001 0.000 0.269 238 V C -0.170 176.049 176.094 0.209 0.000 1.043 238 V CA -0.546 61.809 62.300 0.092 0.000 0.906 238 V CB 1.207 33.056 31.823 0.043 0.000 0.995 238 V HN 0.780 nan 8.190 nan 0.000 0.467 239 L N 6.488 127.792 121.223 0.134 0.000 2.264 239 L HA 0.567 4.908 4.340 0.001 0.000 0.289 239 L C -0.703 176.117 176.870 -0.082 0.000 1.044 239 L CA 0.222 55.157 54.840 0.159 0.000 0.807 239 L CB 0.916 43.113 42.059 0.231 0.000 1.192 239 L HN 0.427 nan 8.230 nan 0.000 0.425 240 F N 5.238 125.167 119.950 -0.035 0.000 2.403 240 F HA 0.522 5.050 4.527 0.001 0.000 0.326 240 F C -1.435 174.277 175.800 -0.148 0.000 1.081 240 F CA -1.898 56.006 58.000 -0.159 0.000 1.041 240 F CB -0.000 38.888 39.000 -0.185 0.000 1.234 240 F HN 0.467 nan 8.300 nan 0.000 0.503 241 P HA -0.011 nan 4.420 nan 0.000 0.269 241 P C -0.427 176.880 177.300 0.011 0.000 1.205 241 P CA 0.375 63.479 63.100 0.007 0.000 0.780 241 P CB 0.487 32.220 31.700 0.056 0.000 0.858 242 A N 0.200 122.994 122.820 -0.043 0.000 2.308 242 A HA 0.239 4.559 4.320 0.001 0.000 0.217 242 A C 0.823 178.318 177.584 -0.148 0.000 1.216 242 A CA 0.846 52.759 52.037 -0.206 0.000 0.864 242 A CB -0.179 18.756 19.000 -0.109 0.000 0.902 242 A HN 0.551 nan 8.150 nan 0.000 0.499 243 T N -2.562 112.048 114.554 0.093 0.000 2.883 243 T HA 0.443 4.793 4.350 0.001 0.000 0.301 243 T C -0.099 174.716 174.700 0.192 0.000 1.158 243 T CA -0.502 61.724 62.100 0.210 0.000 1.007 243 T CB 0.849 69.867 68.868 0.250 0.000 1.186 243 T HN 0.242 nan 8.240 nan 0.000 0.499 244 H N 2.129 121.307 119.070 0.180 0.000 2.551 244 H HA 0.197 4.753 4.556 0.001 0.000 0.271 244 H C -0.367 174.764 175.328 -0.329 0.000 0.984 244 H CA 0.385 56.348 56.048 -0.143 0.000 1.164 244 H CB 0.286 29.747 29.762 -0.502 0.000 1.437 244 H HN 0.529 nan 8.280 nan 0.000 0.550 245 Y N 0.769 121.234 120.300 0.274 0.000 2.724 245 Y HA 0.197 4.747 4.550 0.001 0.000 0.370 245 Y C 1.255 177.350 175.900 0.326 0.000 0.978 245 Y CA -0.317 57.899 58.100 0.193 0.000 1.443 245 Y CB -0.107 38.306 38.460 -0.078 0.000 1.386 245 Y HN -0.047 nan 8.280 nan 0.000 0.557 246 L N 0.217 121.684 121.223 0.407 0.000 1.848 246 L HA -0.151 4.190 4.340 0.001 0.000 0.225 246 L C 1.642 178.780 176.870 0.447 0.000 1.106 246 L CA 1.087 56.150 54.840 0.372 0.000 0.906 246 L CB -0.792 41.419 42.059 0.253 0.000 0.914 246 L HN 0.501 nan 8.230 nan 0.000 0.476 247 S N -1.327 114.550 115.700 0.295 0.000 3.425 247 S HA -0.158 4.312 4.470 0.001 0.000 0.377 247 S C -1.478 173.170 174.600 0.080 0.000 0.989 247 S CA 0.622 58.950 58.200 0.214 0.000 1.183 247 S CB -2.435 60.934 63.200 0.282 0.000 0.908 247 S HN 0.353 nan 8.310 nan 0.000 0.472 248 P HA -0.010 nan 4.420 nan 0.000 0.231 248 P C 1.244 178.484 177.300 -0.099 0.000 1.158 248 P CA 1.149 64.189 63.100 -0.099 0.000 0.763 248 P CB -0.046 31.646 31.700 -0.013 0.000 0.805 249 E N -0.610 119.568 120.200 -0.037 0.000 3.566 249 E HA -0.282 4.069 4.350 0.001 0.000 0.485 249 E C 0.662 177.241 176.600 -0.036 0.000 1.666 249 E CA 1.870 58.256 56.400 -0.024 0.000 1.181 249 E CB -1.650 28.038 29.700 -0.020 0.000 1.166 249 E HN 0.275 nan 8.360 nan 0.000 0.391 250 G N 0.100 108.870 108.800 -0.050 0.000 3.678 250 G HA2 0.447 4.408 3.960 0.001 0.000 0.344 250 G HA3 0.447 4.408 3.960 0.001 0.000 0.344 250 G C 0.366 175.218 174.900 -0.081 0.000 1.450 250 G CA 0.142 45.214 45.100 -0.047 0.000 1.078 250 G HN 0.383 nan 8.290 nan 0.000 0.474 251 L N 1.772 122.935 121.223 -0.100 0.000 2.030 251 L HA -0.231 4.109 4.340 0.001 0.000 0.222 251 L C 2.645 179.448 176.870 -0.112 0.000 1.082 251 L CA 2.384 57.140 54.840 -0.140 0.000 0.785 251 L CB -0.123 41.877 42.059 -0.099 0.000 0.895 251 L HN 0.612 nan 8.230 nan 0.000 0.439 252 E N -0.914 119.242 120.200 -0.073 0.000 2.065 252 E HA -0.345 4.006 4.350 0.001 0.000 0.201 252 E C 2.128 178.696 176.600 -0.053 0.000 1.016 252 E CA 1.857 58.224 56.400 -0.056 0.000 0.818 252 E CB -0.230 29.448 29.700 -0.036 0.000 0.749 252 E HN 0.640 nan 8.360 nan 0.000 0.453 253 E N 0.384 120.558 120.200 -0.043 0.000 2.274 253 E HA -0.136 4.214 4.350 0.001 0.000 0.194 253 E C 1.913 178.491 176.600 -0.035 0.000 0.996 253 E CA 0.453 56.837 56.400 -0.026 0.000 0.840 253 E CB 0.060 29.755 29.700 -0.007 0.000 0.772 253 E HN 0.249 nan 8.360 nan 0.000 0.491 254 I N 0.501 121.027 120.570 -0.074 0.000 2.233 254 I HA -0.257 3.913 4.170 0.001 0.000 0.243 254 I C 2.152 178.164 176.117 -0.175 0.000 1.093 254 I CA 0.803 62.041 61.300 -0.103 0.000 1.380 254 I CB -0.196 37.681 38.000 -0.205 0.000 1.067 254 I HN 0.205 nan 8.210 nan 0.000 0.413 255 L N 0.511 121.633 121.223 -0.168 0.000 2.131 255 L HA -0.206 4.134 4.340 0.001 0.000 0.210 255 L C 2.478 179.264 176.870 -0.140 0.000 1.092 255 L CA 1.434 56.164 54.840 -0.183 0.000 0.759 255 L CB -0.679 41.299 42.059 -0.136 0.000 0.903 255 L HN 0.228 nan 8.230 nan 0.000 0.435 256 K N -0.266 120.085 120.400 -0.081 0.000 2.097 256 K HA -0.143 4.177 4.320 0.001 0.000 0.205 256 K C 2.086 178.670 176.600 -0.027 0.000 1.050 256 K CA 0.937 57.206 56.287 -0.030 0.000 0.938 256 K CB 0.011 32.508 32.500 -0.004 0.000 0.718 256 K HN 0.195 nan 8.250 nan 0.000 0.442 257 E N 0.858 121.030 120.200 -0.047 0.000 2.106 257 E HA -0.101 4.249 4.350 0.001 0.000 0.192 257 E C 2.007 178.531 176.600 -0.128 0.000 0.984 257 E CA 0.869 57.274 56.400 0.009 0.000 0.806 257 E CB -0.062 29.727 29.700 0.149 0.000 0.750 257 E HN 0.346 nan 8.360 nan 0.000 0.458 258 I N 0.792 121.102 120.570 -0.434 0.000 2.252 258 I HA -0.226 3.945 4.170 0.001 0.000 0.245 258 I C 2.537 178.534 176.117 -0.200 0.000 1.102 258 I CA 1.050 62.026 61.300 -0.540 0.000 1.385 258 I CB -0.177 37.446 38.000 -0.629 0.000 1.064 258 I HN 0.095 nan 8.210 nan 0.000 0.414 259 E N 1.042 121.164 120.200 -0.131 0.000 2.150 259 E HA -0.227 4.123 4.350 0.001 0.000 0.193 259 E C 2.168 178.803 176.600 0.057 0.000 0.985 259 E CA 0.867 57.238 56.400 -0.048 0.000 0.814 259 E CB 0.196 29.935 29.700 0.065 0.000 0.752 259 E HN 0.173 nan 8.360 nan 0.000 0.466 260 K N 0.828 121.283 120.400 0.093 0.000 2.057 260 K HA -0.197 4.123 4.320 0.001 0.000 0.207 260 K C 1.992 178.667 176.600 0.126 0.000 1.049 260 K CA 1.291 57.669 56.287 0.152 0.000 0.931 260 K CB -0.180 32.393 32.500 0.122 0.000 0.714 260 K HN 0.266 nan 8.250 nan 0.000 0.440 261 E N 0.531 120.785 120.200 0.090 0.000 2.106 261 E HA -0.189 4.162 4.350 0.001 0.000 0.192 261 E C 2.095 178.709 176.600 0.024 0.000 0.984 261 E CA 0.709 57.167 56.400 0.096 0.000 0.806 261 E CB -0.045 29.762 29.700 0.178 0.000 0.750 261 E HN 0.093 nan 8.360 nan 0.000 0.458 262 L N 0.214 121.390 121.223 -0.077 0.000 1.990 262 L HA -0.183 4.158 4.340 0.001 0.000 0.213 262 L C 1.884 178.587 176.870 -0.278 0.000 1.072 262 L CA 2.063 56.751 54.840 -0.255 0.000 0.755 262 L CB -0.824 40.930 42.059 -0.508 0.000 0.889 262 L HN 0.280 nan 8.230 nan 0.000 0.432 263 W N 0.045 121.383 121.300 0.062 0.000 2.425 263 W HA -0.098 4.562 4.660 0.000 0.000 0.277 263 W C 2.441 178.997 176.519 0.062 0.000 1.231 263 W CA 0.925 58.306 57.345 0.060 0.000 1.248 263 W CB -0.198 29.288 29.460 0.044 0.000 1.117 263 W HN 0.242 nan 8.180 nan 0.000 0.568 264 E N 0.189 120.516 120.200 0.213 0.000 2.072 264 E HA -0.221 4.130 4.350 0.001 0.000 0.191 264 E C 2.097 178.759 176.600 0.103 0.000 0.985 264 E CA 1.031 57.517 56.400 0.144 0.000 0.801 264 E CB -0.224 29.534 29.700 0.097 0.000 0.750 264 E HN 0.007 nan 8.360 nan 0.000 0.452 265 R N 0.864 121.393 120.500 0.049 0.000 2.090 265 R HA -0.069 4.271 4.340 0.001 0.000 0.228 265 R C 2.043 178.394 176.300 0.086 0.000 1.110 265 R CA 0.774 56.863 56.100 -0.019 0.000 0.973 265 R CB -0.546 29.721 30.300 -0.055 0.000 0.869 265 R HN 0.015 nan 8.270 nan 0.000 0.440 266 V N 0.817 120.828 119.914 0.163 0.000 2.343 266 V HA -0.227 3.894 4.120 0.001 0.000 0.247 266 V C 2.516 178.770 176.094 0.267 0.000 1.051 266 V CA 2.218 64.680 62.300 0.271 0.000 1.036 266 V CB -0.564 31.415 31.823 0.260 0.000 0.654 266 V HN 0.393 nan 8.190 nan 0.000 0.451 267 R N -0.963 119.674 120.500 0.228 0.000 2.081 267 R HA -0.245 4.096 4.340 0.001 0.000 0.235 267 R C 2.376 178.751 176.300 0.124 0.000 1.131 267 R CA 2.184 58.386 56.100 0.170 0.000 0.960 267 R CB -0.551 29.841 30.300 0.152 0.000 0.856 267 R HN 0.618 nan 8.270 nan 0.000 0.436 268 Y N 0.440 120.717 120.300 -0.038 0.000 2.114 268 Y HA -0.274 4.276 4.550 0.000 0.000 0.282 268 Y C 1.595 177.437 175.900 -0.097 0.000 1.165 268 Y CA 1.994 60.011 58.100 -0.137 0.000 1.148 268 Y CB -0.465 37.805 38.460 -0.318 0.000 0.972 268 Y HN 0.014 nan 8.280 nan 0.000 0.504 269 F N 0.901 120.886 119.950 0.058 0.000 2.146 269 F HA -0.137 4.391 4.527 0.001 0.000 0.298 269 F C 2.409 178.159 175.800 -0.083 0.000 1.096 269 F CA 1.603 59.579 58.000 -0.040 0.000 1.275 269 F CB -0.818 38.245 39.000 0.105 0.000 1.008 269 F HN 0.081 nan 8.300 nan 0.000 0.480 270 E N 0.516 120.819 120.200 0.172 0.000 2.085 270 E HA -0.230 4.120 4.350 0.001 0.000 0.194 270 E C 1.967 178.576 176.600 0.015 0.000 0.994 270 E CA 1.464 57.913 56.400 0.083 0.000 0.801 270 E CB -0.549 29.209 29.700 0.097 0.000 0.743 270 E HN 0.571 nan 8.360 nan 0.000 0.453 271 E N 0.364 120.553 120.200 -0.018 0.000 2.265 271 E HA -0.129 4.221 4.350 0.001 0.000 0.196 271 E C 1.824 178.373 176.600 -0.086 0.000 0.996 271 E CA 0.543 56.911 56.400 -0.053 0.000 0.832 271 E CB -0.060 29.600 29.700 -0.067 0.000 0.756 271 E HN 0.117 nan 8.360 nan 0.000 0.491 272 R N -0.714 119.713 120.500 -0.123 0.000 2.317 272 R HA 0.098 4.439 4.340 0.001 0.000 0.208 272 R C 1.108 177.369 176.300 -0.065 0.000 0.914 272 R CA 0.471 56.502 56.100 -0.115 0.000 1.060 272 R CB 0.661 30.857 30.300 -0.173 0.000 1.015 272 R HN 0.215 nan 8.270 nan 0.000 0.498 273 G N 1.425 110.195 108.800 -0.050 0.000 2.162 273 G HA2 -0.319 3.642 3.960 0.001 0.000 0.260 273 G HA3 -0.319 3.642 3.960 0.001 0.000 0.260 273 G C -0.045 174.795 174.900 -0.101 0.000 0.976 273 G CA 0.053 45.118 45.100 -0.058 0.000 0.655 273 G HN 0.438 nan 8.290 nan 0.000 0.533 274 E N 0.840 120.978 120.200 -0.103 0.000 2.261 274 E HA 0.322 4.673 4.350 0.001 0.000 0.308 274 E C 1.973 178.406 176.600 -0.278 0.000 1.400 274 E CA 0.130 56.361 56.400 -0.283 0.000 1.542 274 E CB 0.306 29.875 29.700 -0.218 0.000 1.369 274 E HN 0.666 nan 8.360 nan 0.000 0.493 275 V N -0.496 119.296 119.914 -0.203 0.000 2.720 275 V HA -0.223 3.898 4.120 0.001 0.000 0.256 275 V C 1.879 177.854 176.094 -0.198 0.000 1.082 275 V CA 1.087 63.304 62.300 -0.138 0.000 1.101 275 V CB -0.399 31.377 31.823 -0.080 0.000 0.693 275 V HN 0.402 nan 8.190 nan 0.000 0.479 276 L N -0.290 120.741 121.223 -0.320 0.000 2.093 276 L HA -0.019 4.322 4.340 0.001 0.000 0.208 276 L C 2.521 179.238 176.870 -0.256 0.000 1.085 276 L CA 2.009 56.684 54.840 -0.276 0.000 0.755 276 L CB -0.706 41.175 42.059 -0.298 0.000 0.904 276 L HN 0.350 nan 8.230 nan 0.000 0.435 277 Y N -0.220 119.791 120.300 -0.482 0.000 2.263 277 Y HA 0.044 4.595 4.550 0.000 0.000 0.292 277 Y C 2.623 178.074 175.900 -0.748 0.000 1.130 277 Y CA 0.392 57.971 58.100 -0.869 0.000 1.179 277 Y CB -1.655 35.867 38.460 -1.563 0.000 0.998 277 Y HN 0.272 nan 8.280 nan 0.000 0.532 278 A N 0.072 122.723 122.820 -0.281 0.000 1.877 278 A HA -0.267 4.053 4.320 0.001 0.000 0.216 278 A C 2.313 179.874 177.584 -0.040 0.000 1.186 278 A CA 1.870 53.916 52.037 0.016 0.000 0.620 278 A CB -0.885 18.193 19.000 0.129 0.000 0.822 278 A HN 0.514 nan 8.150 nan 0.000 0.443 279 Q N -0.399 119.352 119.800 -0.081 0.000 2.050 279 Q HA -0.244 4.096 4.340 0.001 0.000 0.202 279 Q C 2.351 178.284 176.000 -0.112 0.000 0.980 279 Q CA 1.858 57.620 55.803 -0.068 0.000 0.840 279 Q CB -0.217 28.479 28.738 -0.071 0.000 0.898 279 Q HN 0.687 nan 8.270 nan 0.000 0.424 280 R N -0.011 120.374 120.500 -0.191 0.000 2.083 280 R HA -0.200 4.141 4.340 0.001 0.000 0.237 280 R C 2.347 178.511 176.300 -0.227 0.000 1.137 280 R CA 1.615 57.553 56.100 -0.271 0.000 0.951 280 R CB -0.420 29.593 30.300 -0.478 0.000 0.851 280 R HN 0.384 nan 8.270 nan 0.000 0.434 281 L N 1.541 122.646 121.223 -0.196 0.000 2.056 281 L HA -0.136 4.205 4.340 0.001 0.000 0.207 281 L C 2.446 179.258 176.870 -0.097 0.000 1.078 281 L CA 1.955 56.733 54.840 -0.103 0.000 0.749 281 L CB -0.508 41.559 42.059 0.014 0.000 0.901 281 L HN 0.193 nan 8.230 nan 0.000 0.433 282 K N -0.418 119.913 120.400 -0.114 0.000 2.002 282 K HA -0.224 4.096 4.320 0.001 0.000 0.209 282 K C 1.941 178.498 176.600 -0.072 0.000 1.048 282 K CA 1.993 58.188 56.287 -0.153 0.000 0.930 282 K CB -0.223 32.225 32.500 -0.087 0.000 0.714 282 K HN 0.469 nan 8.250 nan 0.000 0.438 283 E N 0.111 120.286 120.200 -0.043 0.000 2.051 283 E HA -0.196 4.154 4.350 0.001 0.000 0.192 283 E C 2.297 178.908 176.600 0.019 0.000 0.991 283 E CA 1.407 57.802 56.400 -0.008 0.000 0.799 283 E CB -0.006 29.672 29.700 -0.036 0.000 0.748 283 E HN 0.294 nan 8.360 nan 0.000 0.449 284 R N 0.054 120.545 120.500 -0.016 0.000 2.075 284 R HA -0.067 4.274 4.340 0.001 0.000 0.232 284 R C 2.480 178.850 176.300 0.118 0.000 1.126 284 R CA 1.736 57.856 56.100 0.034 0.000 0.963 284 R CB -0.317 29.979 30.300 -0.006 0.000 0.858 284 R HN 0.103 nan 8.270 nan 0.000 0.435 285 T N 1.299 115.891 114.554 0.063 0.000 2.857 285 T HA -0.013 4.337 4.350 0.001 0.000 0.266 285 T C 1.820 176.541 174.700 0.035 0.000 1.048 285 T CA 0.858 63.004 62.100 0.077 0.000 1.139 285 T CB -0.059 68.808 68.868 -0.000 0.000 0.874 285 T HN 0.103 nan 8.240 nan 0.000 0.455 286 L N -0.281 120.952 121.223 0.017 0.000 2.141 286 L HA -0.048 4.292 4.340 0.001 0.000 0.209 286 L C 2.363 179.278 176.870 0.075 0.000 1.094 286 L CA 1.289 56.146 54.840 0.029 0.000 0.763 286 L CB -0.552 41.538 42.059 0.051 0.000 0.908 286 L HN 0.269 nan 8.230 nan 0.000 0.437 287 Y N 1.335 121.635 120.300 -0.000 0.000 2.145 287 Y HA -0.302 4.249 4.550 0.001 0.000 0.286 287 Y C 2.296 178.203 175.900 0.012 0.000 1.145 287 Y CA 1.877 59.984 58.100 0.011 0.000 1.148 287 Y CB -0.163 38.307 38.460 0.018 0.000 0.981 287 Y HN 0.197 nan 8.280 nan 0.000 0.507 288 D N 0.309 120.801 120.400 0.154 0.000 2.104 288 D HA -0.210 4.430 4.640 0.001 0.000 0.194 288 D C 2.320 178.560 176.300 -0.101 0.000 0.994 288 D CA 1.749 55.780 54.000 0.052 0.000 0.830 288 D CB -0.552 40.364 40.800 0.194 0.000 0.959 288 D HN 0.412 nan 8.370 nan 0.000 0.452 289 L N 0.682 121.836 121.223 -0.114 0.000 2.079 289 L HA -0.164 4.176 4.340 0.001 0.000 0.210 289 L C 2.451 179.249 176.870 -0.121 0.000 1.081 289 L CA 1.000 55.752 54.840 -0.146 0.000 0.752 289 L CB -0.226 41.761 42.059 -0.121 0.000 0.896 289 L HN -0.054 nan 8.230 nan 0.000 0.433 290 E N -0.217 119.907 120.200 -0.126 0.000 2.072 290 E HA -0.233 4.117 4.350 0.001 0.000 0.191 290 E C 2.138 178.636 176.600 -0.171 0.000 0.985 290 E CA 1.290 57.609 56.400 -0.134 0.000 0.801 290 E CB -0.136 29.478 29.700 -0.142 0.000 0.750 290 E HN 0.404 nan 8.360 nan 0.000 0.452 291 M N -0.087 119.361 119.600 -0.255 0.000 2.229 291 M HA -0.111 4.369 4.480 0.001 0.000 0.264 291 M C 2.045 178.281 176.300 -0.107 0.000 1.063 291 M CA 0.978 56.145 55.300 -0.221 0.000 1.114 291 M CB 0.057 32.480 32.600 -0.296 0.000 1.387 291 M HN 0.053 nan 8.290 nan 0.000 0.420 292 L N -0.696 120.475 121.223 -0.088 0.000 2.056 292 L HA -0.205 4.135 4.340 0.001 0.000 0.207 292 L C 2.658 179.505 176.870 -0.039 0.000 1.078 292 L CA 1.329 56.148 54.840 -0.035 0.000 0.749 292 L CB -0.619 41.410 42.059 -0.050 0.000 0.901 292 L HN 0.327 nan 8.230 nan 0.000 0.433 293 R N -0.289 120.172 120.500 -0.064 0.000 2.081 293 R HA -0.133 4.207 4.340 0.001 0.000 0.235 293 R C 1.781 178.056 176.300 -0.041 0.000 1.131 293 R CA 1.369 57.437 56.100 -0.053 0.000 0.960 293 R CB -0.012 30.253 30.300 -0.058 0.000 0.856 293 R HN 0.164 nan 8.270 nan 0.000 0.436 294 V N 0.105 119.989 119.914 -0.050 0.000 3.633 294 V HA 0.092 4.213 4.120 0.001 0.000 0.283 294 V C 1.333 177.410 176.094 -0.029 0.000 1.305 294 V CA 0.714 62.990 62.300 -0.040 0.000 1.153 294 V CB 0.394 32.186 31.823 -0.051 0.000 0.950 294 V HN 0.395 nan 8.190 nan 0.000 0.432 295 M N -1.241 118.347 119.600 -0.020 0.000 2.204 295 M HA 0.264 4.744 4.480 0.001 0.000 0.407 295 M C 1.339 177.655 176.300 0.027 0.000 0.920 295 M CA 0.844 56.143 55.300 -0.001 0.000 1.037 295 M CB 1.360 33.954 32.600 -0.010 0.000 2.010 295 M HN 0.377 nan 8.290 nan 0.000 0.674 296 G N 1.702 110.521 108.800 0.033 0.000 2.196 296 G HA2 -0.256 3.704 3.960 0.001 0.000 0.268 296 G HA3 -0.256 3.704 3.960 0.001 0.000 0.268 296 G C 0.135 175.119 174.900 0.140 0.000 0.975 296 G CA 1.098 46.243 45.100 0.075 0.000 0.648 296 G HN 0.464 nan 8.290 nan 0.000 0.538 297 T N -1.164 113.452 114.554 0.103 0.000 2.718 297 T HA 0.620 4.970 4.350 0.001 0.000 0.306 297 T C -0.420 174.318 174.700 0.064 0.000 1.485 297 T CA 0.126 62.297 62.100 0.118 0.000 0.997 297 T CB 2.084 71.017 68.868 0.109 0.000 1.504 297 T HN 1.642 nan 8.240 nan 0.000 0.497 298 C N -0.636 118.702 119.300 0.063 0.000 3.311 298 C HA 0.829 5.290 4.460 0.001 0.000 0.325 298 C C -3.175 171.848 174.990 0.055 0.000 1.352 298 C CA -2.074 56.979 59.018 0.058 0.000 1.308 298 C CB 0.365 28.152 27.740 0.080 0.000 1.619 298 C HN 0.642 nan 8.230 nan 0.000 0.469 299 P HA 0.404 nan 4.420 nan 0.000 0.268 299 P C 0.927 178.241 177.300 0.024 0.000 1.205 299 P CA 2.197 65.312 63.100 0.024 0.000 0.771 299 P CB 0.378 32.109 31.700 0.052 0.000 0.858 300 G N 1.752 110.517 108.800 -0.059 0.000 2.225 300 G HA2 -0.298 3.662 3.960 0.001 0.000 0.267 300 G HA3 -0.298 3.662 3.960 0.001 0.000 0.267 300 G C 0.932 175.783 174.900 -0.083 0.000 1.024 300 G CA 0.198 45.253 45.100 -0.075 0.000 0.784 300 G HN 0.531 nan 8.290 nan 0.000 0.507 301 V N 0.972 120.823 119.914 -0.104 0.000 2.568 301 V HA -0.170 3.950 4.120 0.001 0.000 0.253 301 V C 2.798 178.703 176.094 -0.315 0.000 1.072 301 V CA 2.867 65.113 62.300 -0.090 0.000 1.084 301 V CB -0.045 31.662 31.823 -0.193 0.000 0.676 301 V HN 0.782 nan 8.190 nan 0.000 0.469 302 E N -0.326 119.574 120.200 -0.501 0.000 2.267 302 E HA -0.281 4.069 4.350 0.001 0.000 0.197 302 E C 1.593 178.110 176.600 -0.139 0.000 0.998 302 E CA 1.639 57.765 56.400 -0.458 0.000 0.830 302 E CB -0.915 28.621 29.700 -0.274 0.000 0.751 302 E HN 0.695 nan 8.360 nan 0.000 0.491 303 N N 0.226 118.807 118.700 -0.199 0.000 2.364 303 N HA -0.124 4.617 4.740 0.001 0.000 0.183 303 N C 0.519 175.855 175.510 -0.290 0.000 1.022 303 N CA 0.929 53.825 53.050 -0.257 0.000 0.883 303 N CB -0.149 38.085 38.487 -0.421 0.000 0.965 303 N HN 0.353 nan 8.380 nan 0.000 0.438 304 Y N 0.313 120.681 120.300 0.114 0.000 2.524 304 Y HA 0.371 4.922 4.550 0.001 0.000 0.266 304 Y C 1.906 178.012 175.900 0.344 0.000 1.180 304 Y CA -0.638 57.647 58.100 0.308 0.000 1.244 304 Y CB -0.307 38.365 38.460 0.353 0.000 1.125 304 Y HN -0.049 nan 8.280 nan 0.000 0.524 305 A N 0.963 123.932 122.820 0.249 0.000 1.929 305 A HA -0.345 3.975 4.320 0.001 0.000 0.221 305 A C 2.397 180.197 177.584 0.361 0.000 1.211 305 A CA 2.411 54.620 52.037 0.287 0.000 0.657 305 A CB -0.633 18.529 19.000 0.269 0.000 0.827 305 A HN 0.493 nan 8.150 nan 0.000 0.462 306 R N -2.114 118.525 120.500 0.231 0.000 2.127 306 R HA -0.187 4.154 4.340 0.001 0.000 0.238 306 R C 1.884 178.240 176.300 0.093 0.000 1.134 306 R CA 1.887 58.039 56.100 0.087 0.000 0.975 306 R CB -0.347 29.894 30.300 -0.098 0.000 0.865 306 R HN 0.669 nan 8.270 nan 0.000 0.447 307 Y N -1.142 119.364 120.300 0.343 0.000 2.314 307 Y HA -0.125 4.426 4.550 0.001 0.000 0.293 307 Y C 1.735 177.811 175.900 0.293 0.000 1.129 307 Y CA 1.011 59.286 58.100 0.291 0.000 1.201 307 Y CB -0.108 38.532 38.460 0.300 0.000 0.999 307 Y HN 0.013 nan 8.280 nan 0.000 0.541 308 F N -0.717 119.430 119.950 0.328 0.000 2.234 308 F HA -0.107 4.421 4.527 0.001 0.000 0.296 308 F C 2.522 178.464 175.800 0.238 0.000 1.089 308 F CA 1.544 59.709 58.000 0.275 0.000 1.343 308 F CB -1.009 38.183 39.000 0.319 0.000 1.040 308 F HN 0.024 nan 8.300 nan 0.000 0.498 309 T N -3.683 111.136 114.554 0.441 0.000 3.081 309 T HA 0.337 4.687 4.350 0.001 0.000 0.250 309 T C 1.840 176.697 174.700 0.262 0.000 1.100 309 T CA 0.587 62.913 62.100 0.377 0.000 1.038 309 T CB -0.092 69.049 68.868 0.455 0.000 0.962 309 T HN 0.416 nan 8.240 nan 0.000 0.516 310 G N 1.708 110.620 108.800 0.187 0.000 2.168 310 G HA2 -0.254 3.706 3.960 0.001 0.000 0.263 310 G HA3 -0.254 3.706 3.960 0.001 0.000 0.263 310 G C 0.141 175.072 174.900 0.053 0.000 0.977 310 G CA 0.139 45.306 45.100 0.111 0.000 0.659 310 G HN 0.592 nan 8.290 nan 0.000 0.533 311 K N 0.665 121.084 120.400 0.032 0.000 2.319 311 K HA 0.556 4.876 4.320 0.001 0.000 0.265 311 K C 0.932 177.503 176.600 -0.049 0.000 1.000 311 K CA 0.468 56.734 56.287 -0.034 0.000 0.943 311 K CB 0.977 33.434 32.500 -0.072 0.000 0.950 311 K HN 0.591 nan 8.250 nan 0.000 0.485 312 A N 3.842 126.632 122.820 -0.050 0.000 2.287 312 A HA 0.394 4.715 4.320 0.001 0.000 0.273 312 A C -2.205 175.348 177.584 -0.053 0.000 1.091 312 A CA -1.383 50.627 52.037 -0.046 0.000 0.817 312 A CB -0.222 18.758 19.000 -0.033 0.000 1.069 312 A HN 0.362 nan 8.150 nan 0.000 0.492 313 P HA 0.296 nan 4.420 nan 0.000 0.268 313 P C 0.969 178.256 177.300 -0.021 0.000 1.204 313 P CA 1.750 64.829 63.100 -0.034 0.000 0.768 313 P CB 0.748 32.434 31.700 -0.023 0.000 0.842 314 G N 1.687 110.482 108.800 -0.008 0.000 2.253 314 G HA2 -0.246 3.715 3.960 0.001 0.000 0.251 314 G HA3 -0.246 3.715 3.960 0.001 0.000 0.251 314 G C 0.112 174.991 174.900 -0.035 0.000 0.998 314 G CA -0.237 44.859 45.100 -0.007 0.000 0.621 314 G HN 0.569 nan 8.290 nan 0.000 0.524 315 E N 1.815 121.986 120.200 -0.048 0.000 2.383 315 E HA 0.349 4.699 4.350 0.001 0.000 0.264 315 E C -2.297 174.254 176.600 -0.081 0.000 1.050 315 E CA -1.527 54.830 56.400 -0.071 0.000 0.896 315 E CB 0.517 30.167 29.700 -0.083 0.000 0.982 315 E HN 0.195 nan 8.360 nan 0.000 0.424 316 P HA 0.046 nan 4.420 nan 0.000 0.268 316 P C -2.355 174.870 177.300 -0.125 0.000 1.205 316 P CA -0.815 62.230 63.100 -0.092 0.000 0.771 316 P CB 0.026 31.674 31.700 -0.087 0.000 0.858 317 P HA 0.139 nan 4.420 nan 0.000 0.276 317 P C -0.798 176.470 177.300 -0.054 0.000 1.261 317 P CA -0.271 62.788 63.100 -0.067 0.000 0.800 317 P CB 0.532 32.239 31.700 0.011 0.000 1.066 318 Y N 0.084 120.424 120.300 0.066 0.000 2.397 318 Y HA 0.333 4.884 4.550 0.001 0.000 0.335 318 Y C 1.681 177.643 175.900 0.102 0.000 1.213 318 Y CA 0.942 59.083 58.100 0.067 0.000 1.391 318 Y CB 0.357 38.858 38.460 0.068 0.000 1.293 318 Y HN 0.435 nan 8.280 nan 0.000 0.557 319 T N -1.196 113.531 114.554 0.287 0.000 2.696 319 T HA 0.258 4.609 4.350 0.001 0.000 0.291 319 T C 0.351 175.165 174.700 0.191 0.000 1.095 319 T CA -0.923 61.304 62.100 0.212 0.000 1.026 319 T CB 0.655 69.626 68.868 0.172 0.000 1.390 319 T HN 0.443 nan 8.240 nan 0.000 0.513 320 L N 0.562 121.802 121.223 0.028 0.000 2.187 320 L HA 0.112 4.452 4.340 0.001 0.000 0.213 320 L C 2.215 179.136 176.870 0.085 0.000 1.100 320 L CA 1.540 56.281 54.840 -0.165 0.000 0.765 320 L CB -1.148 40.612 42.059 -0.497 0.000 0.904 320 L HN 0.724 nan 8.230 nan 0.000 0.437 321 L N -0.845 120.435 121.223 0.095 0.000 2.187 321 L HA -0.217 4.124 4.340 0.001 0.000 0.213 321 L C 1.867 178.722 176.870 -0.024 0.000 1.100 321 L CA 1.252 56.091 54.840 -0.001 0.000 0.765 321 L CB -0.843 41.225 42.059 0.015 0.000 0.904 321 L HN 0.346 nan 8.230 nan 0.000 0.437 322 D N -0.948 119.504 120.400 0.086 0.000 2.347 322 D HA -0.120 4.520 4.640 0.001 0.000 0.215 322 D C 1.641 177.873 176.300 -0.114 0.000 0.976 322 D CA 0.984 54.990 54.000 0.011 0.000 0.884 322 D CB 0.181 41.030 40.800 0.081 0.000 0.915 322 D HN 0.401 nan 8.370 nan 0.000 0.526 323 Y N -0.487 119.714 120.300 -0.165 0.000 2.511 323 Y HA 0.108 4.658 4.550 0.001 0.000 0.279 323 Y C 0.699 176.418 175.900 -0.302 0.000 1.157 323 Y CA -0.037 57.915 58.100 -0.247 0.000 1.300 323 Y CB -0.073 38.163 38.460 -0.374 0.000 1.052 323 Y HN -0.189 nan 8.280 nan 0.000 0.529 324 F N 0.941 120.717 119.950 -0.291 0.000 2.371 324 F HA 0.369 4.897 4.527 0.001 0.000 0.329 324 F C -1.736 173.891 175.800 -0.288 0.000 1.107 324 F CA -2.693 55.056 58.000 -0.417 0.000 1.137 324 F CB 0.273 38.630 39.000 -1.072 0.000 1.214 324 F HN -0.206 nan 8.300 nan 0.000 0.536 325 P HA 0.077 nan 4.420 nan 0.000 0.272 325 P C 0.201 177.597 177.300 0.161 0.000 1.223 325 P CA 0.002 63.152 63.100 0.082 0.000 0.784 325 P CB 0.554 32.314 31.700 0.100 0.000 0.923 326 E N 1.005 121.282 120.200 0.128 0.000 2.219 326 E HA -0.215 4.136 4.350 0.001 0.000 0.198 326 E C 0.722 177.449 176.600 0.212 0.000 0.998 326 E CA 1.315 57.813 56.400 0.164 0.000 0.818 326 E CB -0.189 29.557 29.700 0.077 0.000 0.741 326 E HN 0.585 nan 8.360 nan 0.000 0.477 327 D N 0.478 120.989 120.400 0.184 0.000 2.358 327 D HA -0.054 4.587 4.640 0.001 0.000 0.224 327 D C 0.361 176.743 176.300 0.136 0.000 1.123 327 D CA -0.435 53.630 54.000 0.107 0.000 0.833 327 D CB -0.661 40.175 40.800 0.060 0.000 0.946 327 D HN 0.051 nan 8.370 nan 0.000 0.505 328 F N 0.607 120.547 119.950 -0.016 0.000 2.539 328 F HA 0.392 4.919 4.527 0.001 0.000 0.340 328 F C -0.216 175.503 175.800 -0.136 0.000 1.185 328 F CA -1.639 56.341 58.000 -0.033 0.000 1.333 328 F CB 0.123 39.081 39.000 -0.071 0.000 1.152 328 F HN -0.152 nan 8.300 nan 0.000 0.602 329 L N 3.143 124.250 121.223 -0.194 0.000 2.317 329 L HA 0.703 5.043 4.340 0.001 0.000 0.281 329 L C -1.124 175.531 176.870 -0.357 0.000 1.024 329 L CA -0.784 53.843 54.840 -0.354 0.000 0.810 329 L CB 1.693 43.661 42.059 -0.151 0.000 1.240 329 L HN 0.613 nan 8.230 nan 0.000 0.427 330 V N 5.127 124.733 119.914 -0.513 0.000 2.495 330 V HA 0.492 4.613 4.120 0.001 0.000 0.298 330 V C -0.825 175.055 176.094 -0.357 0.000 1.031 330 V CA -0.372 61.750 62.300 -0.297 0.000 0.871 330 V CB 1.496 33.141 31.823 -0.297 0.000 0.988 330 V HN 0.526 nan 8.190 nan 0.000 0.432 331 F N 4.689 124.613 119.950 -0.043 0.000 2.467 331 F HA 0.600 5.127 4.527 0.001 0.000 0.336 331 F C -0.022 175.819 175.800 0.068 0.000 1.123 331 F CA -0.707 57.296 58.000 0.005 0.000 0.964 331 F CB 1.639 40.668 39.000 0.049 0.000 1.136 331 F HN 0.167 nan 8.300 nan 0.000 0.447 332 L N 3.624 124.982 121.223 0.224 0.000 2.283 332 L HA 0.327 4.668 4.340 0.001 0.000 0.281 332 L C -0.402 176.624 176.870 0.259 0.000 1.033 332 L CA -0.646 54.337 54.840 0.238 0.000 0.848 332 L CB 0.729 42.954 42.059 0.277 0.000 1.226 332 L HN 0.500 nan 8.230 nan 0.000 0.429 333 D N 3.280 123.814 120.400 0.224 0.000 2.362 333 D HA 0.022 4.662 4.640 0.001 0.000 0.242 333 D C 0.396 176.784 176.300 0.146 0.000 1.132 333 D CA 0.309 54.425 54.000 0.192 0.000 0.907 333 D CB 0.815 41.710 40.800 0.159 0.000 1.195 333 D HN 0.343 nan 8.370 nan 0.000 0.429 334 E N 1.125 121.419 120.200 0.156 0.000 2.210 334 E HA -0.204 4.146 4.350 0.001 0.000 0.201 334 E C 0.957 177.597 176.600 0.066 0.000 1.339 334 E CA 0.855 57.336 56.400 0.136 0.000 0.699 334 E CB -1.880 27.837 29.700 0.029 0.000 1.126 334 E HN 0.501 nan 8.360 nan 0.000 0.355 335 S N -0.195 115.629 115.700 0.207 0.000 2.419 335 S HA -0.245 4.225 4.470 0.001 0.000 0.235 335 S C 1.633 176.269 174.600 0.060 0.000 1.019 335 S CA 1.453 59.757 58.200 0.174 0.000 0.982 335 S CB -0.514 62.876 63.200 0.317 0.000 0.789 335 S HN 0.655 nan 8.310 nan 0.000 0.490 336 H N 0.505 119.588 119.070 0.022 0.000 2.545 336 H HA 0.198 4.754 4.556 0.001 0.000 0.282 336 H C 1.681 177.013 175.328 0.007 0.000 1.020 336 H CA 1.057 57.105 56.048 -0.000 0.000 1.243 336 H CB -0.583 29.188 29.762 0.015 0.000 1.377 336 H HN 0.446 nan 8.280 nan 0.000 0.581 337 V N 1.252 120.856 119.914 -0.517 0.000 2.690 337 V HA -0.131 3.990 4.120 0.001 0.000 0.240 337 V C 2.778 178.745 176.094 -0.211 0.000 1.078 337 V CA 1.542 63.635 62.300 -0.344 0.000 1.102 337 V CB 0.097 31.697 31.823 -0.372 0.000 0.800 337 V HN 0.601 nan 8.190 nan 0.000 0.479 338 T N -1.275 113.182 114.554 -0.162 0.000 2.821 338 T HA -0.147 4.204 4.350 0.001 0.000 0.267 338 T C 1.853 176.446 174.700 -0.179 0.000 1.046 338 T CA 1.589 63.617 62.100 -0.120 0.000 1.139 338 T CB -0.562 68.286 68.868 -0.034 0.000 0.871 338 T HN 0.169 nan 8.240 nan 0.000 0.454 339 V N 3.009 122.813 119.914 -0.184 0.000 2.287 339 V HA -0.074 4.047 4.120 0.001 0.000 0.248 339 V C -0.166 175.628 176.094 -0.500 0.000 1.053 339 V CA 1.877 63.955 62.300 -0.370 0.000 1.027 339 V CB -1.433 30.187 31.823 -0.339 0.000 0.646 339 V HN 0.398 nan 8.190 nan 0.000 0.447 340 P HA -0.141 nan 4.420 nan 0.000 0.218 340 P C 1.759 178.894 177.300 -0.274 0.000 1.149 340 P CA 1.270 64.192 63.100 -0.297 0.000 0.817 340 P CB -0.037 31.549 31.700 -0.190 0.000 0.785 341 Q N -0.657 118.999 119.800 -0.240 0.000 2.050 341 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 341 Q C 2.168 178.040 176.000 -0.213 0.000 0.980 341 Q CA 1.215 56.902 55.803 -0.194 0.000 0.840 341 Q CB -0.779 27.865 28.738 -0.157 0.000 0.898 341 Q HN 0.273 nan 8.270 nan 0.000 0.424 342 L N 0.542 121.590 121.223 -0.292 0.000 2.127 342 L HA -0.246 4.094 4.340 0.001 0.000 0.211 342 L C 2.403 179.103 176.870 -0.283 0.000 1.089 342 L CA 1.264 55.923 54.840 -0.302 0.000 0.757 342 L CB -0.297 41.513 42.059 -0.414 0.000 0.899 342 L HN 0.286 nan 8.230 nan 0.000 0.434 343 Q N -0.727 118.789 119.800 -0.474 0.000 2.172 343 Q HA -0.083 4.257 4.340 0.001 0.000 0.200 343 Q C 2.124 178.042 176.000 -0.136 0.000 0.964 343 Q CA 1.255 56.837 55.803 -0.369 0.000 0.855 343 Q CB -0.174 28.267 28.738 -0.496 0.000 0.918 343 Q HN 0.574 nan 8.270 nan 0.000 0.444 344 G N -0.325 108.393 108.800 -0.136 0.000 2.939 344 G HA2 -0.076 3.885 3.960 0.001 0.000 0.210 344 G HA3 -0.076 3.885 3.960 0.001 0.000 0.210 344 G C 1.173 176.056 174.900 -0.030 0.000 1.160 344 G CA -0.116 44.943 45.100 -0.068 0.000 0.770 344 G HN 0.108 nan 8.290 nan 0.000 0.543 345 M N -0.010 119.576 119.600 -0.024 0.000 2.108 345 M HA -0.021 4.459 4.480 0.001 0.000 0.261 345 M C 2.127 178.457 176.300 0.049 0.000 1.066 345 M CA 1.274 56.576 55.300 0.002 0.000 1.107 345 M CB -0.510 32.096 32.600 0.009 0.000 1.356 345 M HN 0.351 nan 8.290 nan 0.000 0.406 346 Y N 0.248 120.544 120.300 -0.006 0.000 2.097 346 Y HA -0.263 4.287 4.550 0.000 0.000 0.282 346 Y C 2.187 178.116 175.900 0.049 0.000 1.152 346 Y CA 1.842 59.951 58.100 0.014 0.000 1.136 346 Y CB -0.279 38.179 38.460 -0.003 0.000 0.975 346 Y HN 0.085 nan 8.280 nan 0.000 0.498 347 R N 0.403 120.854 120.500 -0.083 0.000 2.081 347 R HA -0.078 4.262 4.340 0.001 0.000 0.235 347 R C 2.578 178.828 176.300 -0.082 0.000 1.131 347 R CA 1.104 57.123 56.100 -0.136 0.000 0.960 347 R CB -1.665 28.636 30.300 0.002 0.000 0.856 347 R HN 0.590 nan 8.270 nan 0.000 0.436 348 G N 0.541 109.306 108.800 -0.058 0.000 2.421 348 G HA2 -0.327 3.633 3.960 0.001 0.000 0.216 348 G HA3 -0.327 3.633 3.960 0.001 0.000 0.216 348 G C 1.217 176.086 174.900 -0.051 0.000 1.171 348 G CA 1.100 46.170 45.100 -0.048 0.000 0.775 348 G HN 0.419 nan 8.290 nan 0.000 0.543 349 D N -1.292 119.072 120.400 -0.060 0.000 2.117 349 D HA -0.166 4.475 4.640 0.001 0.000 0.198 349 D C 2.026 178.291 176.300 -0.059 0.000 0.982 349 D CA 0.674 54.655 54.000 -0.032 0.000 0.828 349 D CB -0.269 40.559 40.800 0.046 0.000 0.967 349 D HN 0.332 nan 8.370 nan 0.000 0.464 350 Y N 0.795 120.924 120.300 -0.286 0.000 2.165 350 Y HA -0.209 4.341 4.550 0.001 0.000 0.286 350 Y C 2.175 177.997 175.900 -0.130 0.000 1.155 350 Y CA 2.023 59.952 58.100 -0.285 0.000 1.164 350 Y CB -0.610 37.538 38.460 -0.519 0.000 0.978 350 Y HN 0.071 nan 8.280 nan 0.000 0.513 351 A N 0.437 123.260 122.820 0.006 0.000 1.908 351 A HA -0.215 4.105 4.320 0.001 0.000 0.218 351 A C 2.308 179.851 177.584 -0.069 0.000 1.181 351 A CA 1.968 53.997 52.037 -0.013 0.000 0.627 351 A CB -0.662 18.358 19.000 0.033 0.000 0.818 351 A HN 0.546 nan 8.150 nan 0.000 0.445 352 R N -0.992 119.473 120.500 -0.059 0.000 2.066 352 R HA -0.109 4.231 4.340 0.001 0.000 0.232 352 R C 2.341 178.618 176.300 -0.039 0.000 1.131 352 R CA 1.706 57.783 56.100 -0.039 0.000 0.955 352 R CB -0.199 30.082 30.300 -0.031 0.000 0.851 352 R HN 0.415 nan 8.270 nan 0.000 0.432 353 K N 0.957 121.311 120.400 -0.077 0.000 2.103 353 K HA -0.133 4.187 4.320 0.001 0.000 0.204 353 K C 1.852 178.378 176.600 -0.122 0.000 1.052 353 K CA 1.349 57.596 56.287 -0.066 0.000 0.945 353 K CB 0.011 32.478 32.500 -0.056 0.000 0.722 353 K HN -0.215 nan 8.250 nan 0.000 0.443 354 K N -0.027 120.191 120.400 -0.304 0.000 2.211 354 K HA -0.059 4.262 4.320 0.001 0.000 0.204 354 K C 1.636 178.198 176.600 -0.064 0.000 1.047 354 K CA 1.881 57.970 56.287 -0.330 0.000 0.935 354 K CB -0.670 31.439 32.500 -0.652 0.000 0.728 354 K HN 0.190 nan 8.250 nan 0.000 0.452 355 T N 0.852 115.422 114.554 0.027 0.000 2.777 355 T HA -0.037 4.314 4.350 0.001 0.000 0.266 355 T C 1.647 176.537 174.700 0.317 0.000 1.040 355 T CA 1.306 63.538 62.100 0.220 0.000 1.141 355 T CB -0.143 68.836 68.868 0.185 0.000 0.868 355 T HN 0.129 nan 8.240 nan 0.000 0.444 356 L N 0.690 122.037 121.223 0.206 0.000 2.083 356 L HA -0.084 4.256 4.340 0.001 0.000 0.209 356 L C 2.562 179.578 176.870 0.243 0.000 1.083 356 L CA 0.821 55.817 54.840 0.259 0.000 0.752 356 L CB -0.496 41.663 42.059 0.167 0.000 0.899 356 L HN 0.160 nan 8.230 nan 0.000 0.433 357 V N -0.589 119.402 119.914 0.129 0.000 2.323 357 V HA -0.245 3.875 4.120 0.001 0.000 0.244 357 V C 1.980 178.144 176.094 0.116 0.000 1.041 357 V CA 1.723 64.076 62.300 0.089 0.000 1.025 357 V CB -0.468 31.354 31.823 -0.002 0.000 0.656 357 V HN 0.406 nan 8.190 nan 0.000 0.451 358 D N -0.783 119.659 120.400 0.069 0.000 2.218 358 D HA -0.152 4.488 4.640 0.001 0.000 0.204 358 D C 1.468 177.541 176.300 -0.379 0.000 0.976 358 D CA 1.463 55.434 54.000 -0.048 0.000 0.853 358 D CB -0.153 40.573 40.800 -0.124 0.000 0.939 358 D HN 0.599 nan 8.370 nan 0.000 0.481 359 Y N -0.772 119.334 120.300 -0.324 0.000 2.555 359 Y HA 0.351 4.902 4.550 0.001 0.000 0.259 359 Y C 1.666 176.904 175.900 -1.104 0.000 1.179 359 Y CA 0.020 57.501 58.100 -1.032 0.000 1.230 359 Y CB 0.755 38.737 38.460 -0.797 0.000 1.146 359 Y HN -0.017 nan 8.280 nan 0.000 0.526 360 G N -0.564 107.953 108.800 -0.472 0.000 2.136 360 G HA2 -0.337 3.623 3.960 0.001 0.000 0.242 360 G HA3 -0.337 3.623 3.960 0.001 0.000 0.242 360 G C 0.619 175.275 174.900 -0.407 0.000 0.989 360 G CA 0.470 45.320 45.100 -0.416 0.000 0.682 360 G HN 0.419 nan 8.290 nan 0.000 0.522 361 F N 0.125 119.992 119.950 -0.138 0.000 2.416 361 F HA 0.370 4.898 4.527 0.000 0.000 0.296 361 F C 1.775 177.550 175.800 -0.041 0.000 1.099 361 F CA 0.729 58.652 58.000 -0.128 0.000 1.427 361 F CB 0.216 39.151 39.000 -0.107 0.000 1.079 361 F HN 0.019 nan 8.300 nan 0.000 0.536 362 R N -0.109 120.485 120.500 0.156 0.000 2.771 362 R HA 0.469 4.809 4.340 0.001 0.000 0.274 362 R C -0.905 175.445 176.300 0.083 0.000 0.987 362 R CA -0.875 55.283 56.100 0.097 0.000 0.908 362 R CB 1.555 31.904 30.300 0.081 0.000 1.213 362 R HN -0.001 nan 8.270 nan 0.000 0.468 363 L N 2.428 123.692 121.223 0.068 0.000 2.452 363 L HA 0.220 4.561 4.340 0.001 0.000 0.267 363 L C -1.140 175.757 176.870 0.045 0.000 1.188 363 L CA -1.506 53.377 54.840 0.073 0.000 0.821 363 L CB 0.446 42.583 42.059 0.130 0.000 1.102 363 L HN 0.275 nan 8.230 nan 0.000 0.470 364 P HA -0.171 nan 4.420 nan 0.000 0.219 364 P C 1.440 178.757 177.300 0.028 0.000 1.146 364 P CA 1.213 64.307 63.100 -0.011 0.000 0.808 364 P CB 0.137 31.802 31.700 -0.058 0.000 0.779 365 S N -0.765 114.977 115.700 0.071 0.000 2.469 365 S HA -0.096 4.374 4.470 0.001 0.000 0.238 365 S C 1.989 176.628 174.600 0.066 0.000 0.998 365 S CA 0.969 59.215 58.200 0.076 0.000 0.957 365 S CB -1.234 62.066 63.200 0.168 0.000 0.764 365 S HN 0.123 nan 8.310 nan 0.000 0.514 366 A N 1.778 124.627 122.820 0.048 0.000 2.067 366 A HA 0.214 4.534 4.320 0.001 0.000 0.219 366 A C 2.111 179.720 177.584 0.042 0.000 1.158 366 A CA 0.895 52.944 52.037 0.020 0.000 0.661 366 A CB -0.742 18.252 19.000 -0.010 0.000 0.801 366 A HN 0.571 nan 8.150 nan 0.000 0.452 367 L N -0.471 120.774 121.223 0.037 0.000 2.362 367 L HA -0.126 4.215 4.340 0.001 0.000 0.219 367 L C 1.123 178.041 176.870 0.080 0.000 1.134 367 L CA 0.834 55.706 54.840 0.053 0.000 0.807 367 L CB -0.336 41.764 42.059 0.069 0.000 0.927 367 L HN 0.304 nan 8.230 nan 0.000 0.447 368 D N -0.537 119.899 120.400 0.059 0.000 2.349 368 D HA -0.042 4.598 4.640 0.001 0.000 0.224 368 D C 0.437 176.757 176.300 0.033 0.000 1.029 368 D CA 0.417 54.443 54.000 0.044 0.000 0.879 368 D CB -0.088 40.721 40.800 0.016 0.000 0.906 368 D HN 0.164 nan 8.370 nan 0.000 0.528 369 N N 1.474 120.204 118.700 0.050 0.000 2.527 369 N HA 0.160 4.900 4.740 0.001 0.000 0.236 369 N C -0.552 174.897 175.510 -0.101 0.000 0.999 369 N CA -0.338 52.750 53.050 0.064 0.000 0.935 369 N CB 0.371 38.972 38.487 0.190 0.000 1.132 369 N HN 0.053 nan 8.380 nan 0.000 0.511 370 R N 1.467 121.686 120.500 -0.467 0.000 2.756 370 R HA 0.631 4.971 4.340 0.001 0.000 0.273 370 R C -3.143 172.586 176.300 -0.951 0.000 1.030 370 R CA -1.542 54.075 56.100 -0.805 0.000 0.887 370 R CB 0.399 30.605 30.300 -0.156 0.000 1.274 370 R HN 0.152 nan 8.270 nan 0.000 0.461 371 P HA 0.282 nan 4.420 nan 0.000 0.278 371 P C -0.667 176.645 177.300 0.020 0.000 1.266 371 P CA -0.711 62.295 63.100 -0.157 0.000 0.807 371 P CB 0.541 32.276 31.700 0.057 0.000 1.094 372 L N 0.636 121.907 121.223 0.080 0.000 2.399 372 L HA 0.379 4.719 4.340 0.001 0.000 0.266 372 L C 1.256 178.192 176.870 0.110 0.000 1.114 372 L CA -0.589 54.306 54.840 0.093 0.000 0.804 372 L CB 0.298 42.450 42.059 0.154 0.000 1.146 372 L HN 0.268 nan 8.230 nan 0.000 0.451 373 R N 0.209 120.714 120.500 0.007 0.000 2.679 373 R HA 0.033 4.374 4.340 0.001 0.000 0.269 373 R C 0.778 177.156 176.300 0.129 0.000 1.076 373 R CA -0.405 55.690 56.100 -0.008 0.000 1.160 373 R CB 0.439 30.628 30.300 -0.186 0.000 1.054 373 R HN 0.462 nan 8.270 nan 0.000 0.507 374 F N 2.102 122.035 119.950 -0.029 0.000 2.161 374 F HA -0.189 4.338 4.527 0.000 0.000 0.300 374 F C 1.476 177.314 175.800 0.063 0.000 1.089 374 F CA 1.874 59.864 58.000 -0.017 0.000 1.282 374 F CB 0.002 38.934 39.000 -0.115 0.000 1.010 374 F HN 0.586 nan 8.300 nan 0.000 0.485 375 E N 0.043 120.239 120.200 -0.005 0.000 2.110 375 E HA -0.191 4.160 4.350 0.001 0.000 0.193 375 E C 2.007 178.564 176.600 -0.071 0.000 0.988 375 E CA 1.632 57.985 56.400 -0.079 0.000 0.804 375 E CB -0.402 29.282 29.700 -0.027 0.000 0.745 375 E HN 0.531 nan 8.360 nan 0.000 0.458 376 E N -0.016 120.167 120.200 -0.029 0.000 2.106 376 E HA -0.142 4.208 4.350 0.001 0.000 0.192 376 E C 1.745 178.345 176.600 -0.001 0.000 0.984 376 E CA 0.732 57.117 56.400 -0.026 0.000 0.806 376 E CB -0.200 29.485 29.700 -0.025 0.000 0.750 376 E HN 0.242 nan 8.360 nan 0.000 0.458 377 F N 1.536 121.428 119.950 -0.097 0.000 2.134 377 F HA -0.156 4.372 4.527 0.001 0.000 0.299 377 F C 1.860 177.573 175.800 -0.144 0.000 1.097 377 F CA 1.250 59.203 58.000 -0.080 0.000 1.264 377 F CB -0.054 38.928 39.000 -0.030 0.000 1.001 377 F HN -0.096 nan 8.300 nan 0.000 0.479 378 L N 0.108 121.220 121.223 -0.186 0.000 2.131 378 L HA -0.184 4.157 4.340 0.001 0.000 0.210 378 L C 2.227 178.966 176.870 -0.218 0.000 1.092 378 L CA 1.405 56.099 54.840 -0.245 0.000 0.759 378 L CB -0.705 41.221 42.059 -0.222 0.000 0.903 378 L HN 0.210 nan 8.230 nan 0.000 0.435 379 E N 0.041 120.142 120.200 -0.166 0.000 2.347 379 E HA -0.141 4.210 4.350 0.001 0.000 0.196 379 E C 1.616 178.132 176.600 -0.140 0.000 1.008 379 E CA 0.569 56.893 56.400 -0.127 0.000 0.852 379 E CB 0.137 29.784 29.700 -0.087 0.000 0.783 379 E HN 0.458 nan 8.360 nan 0.000 0.505 380 R N 0.408 120.792 120.500 -0.193 0.000 2.393 380 R HA 0.101 4.441 4.340 0.001 0.000 0.244 380 R C 0.129 176.336 176.300 -0.155 0.000 0.920 380 R CA -0.107 55.907 56.100 -0.143 0.000 1.076 380 R CB 0.879 31.116 30.300 -0.106 0.000 1.119 380 R HN -0.036 nan 8.270 nan 0.000 0.524 381 V N -3.055 116.660 119.914 -0.331 0.000 3.001 381 V HA 0.511 4.631 4.120 0.001 0.000 0.314 381 V C 0.683 176.522 176.094 -0.425 0.000 1.099 381 V CA -0.592 61.422 62.300 -0.476 0.000 0.989 381 V CB 2.180 33.592 31.823 -0.685 0.000 1.040 381 V HN 0.062 nan 8.190 nan 0.000 0.434 382 S N 1.200 116.589 115.700 -0.518 0.000 2.691 382 S HA 0.345 4.815 4.470 0.001 0.000 0.241 382 S C 0.467 174.802 174.600 -0.441 0.000 1.077 382 S CA -0.165 57.798 58.200 -0.396 0.000 0.900 382 S CB -0.069 62.952 63.200 -0.298 0.000 0.805 382 S HN 0.846 nan 8.310 nan 0.000 0.529 383 Q N 0.587 120.093 119.800 -0.489 0.000 2.347 383 Q HA 0.736 5.077 4.340 0.001 0.000 0.271 383 Q C -1.950 173.753 176.000 -0.495 0.000 1.064 383 Q CA -0.720 54.807 55.803 -0.459 0.000 0.800 383 Q CB 2.864 31.380 28.738 -0.370 0.000 1.304 383 Q HN 0.230 nan 8.270 nan 0.000 0.438 384 V N 2.166 121.813 119.914 -0.446 0.000 2.638 384 V HA 0.424 4.545 4.120 0.001 0.000 0.306 384 V C -0.693 175.068 176.094 -0.556 0.000 1.052 384 V CA -0.782 61.233 62.300 -0.475 0.000 0.885 384 V CB 2.083 33.701 31.823 -0.341 0.000 0.999 384 V HN 0.522 nan 8.190 nan 0.000 0.424 385 V N 5.189 124.732 119.914 -0.620 0.000 2.347 385 V HA 0.484 4.604 4.120 0.001 0.000 0.280 385 V C -0.585 175.354 176.094 -0.259 0.000 1.021 385 V CA -0.431 61.603 62.300 -0.443 0.000 0.847 385 V CB 1.132 32.617 31.823 -0.564 0.000 0.990 385 V HN 0.640 nan 8.190 nan 0.000 0.444 386 F N 4.003 124.018 119.950 0.108 0.000 2.404 386 F HA 0.553 5.080 4.527 0.001 0.000 0.345 386 F C 0.272 176.165 175.800 0.154 0.000 1.110 386 F CA -0.615 57.474 58.000 0.147 0.000 1.130 386 F CB 1.461 40.554 39.000 0.155 0.000 1.129 386 F HN 0.159 nan 8.300 nan 0.000 0.500 387 V N 2.693 122.818 119.914 0.352 0.000 2.444 387 V HA 0.698 4.819 4.120 0.001 0.000 0.294 387 V C -0.430 175.804 176.094 0.233 0.000 1.022 387 V CA -0.421 62.038 62.300 0.265 0.000 0.850 387 V CB 1.536 33.511 31.823 0.253 0.000 0.992 387 V HN 0.804 nan 8.190 nan 0.000 0.426 388 S N 2.951 118.759 115.700 0.180 0.000 2.558 388 S HA 0.636 5.107 4.470 0.001 0.000 0.277 388 S C 0.512 175.140 174.600 0.048 0.000 1.143 388 S CA 0.307 58.598 58.200 0.151 0.000 0.865 388 S CB 1.903 65.224 63.200 0.202 0.000 1.102 388 S HN 1.047 nan 8.310 nan 0.000 0.454 389 A N 1.722 124.533 122.820 -0.015 0.000 2.123 389 A HA 0.308 4.628 4.320 0.001 0.000 0.214 389 A C 0.987 178.500 177.584 -0.119 0.000 1.152 389 A CA 1.310 53.314 52.037 -0.055 0.000 0.728 389 A CB -0.393 18.574 19.000 -0.055 0.000 0.814 389 A HN 1.438 nan 8.150 nan 0.000 0.464 390 T N -2.070 112.349 114.554 -0.226 0.000 3.428 390 T HA 0.462 4.812 4.350 0.001 0.000 0.301 390 T C -3.253 171.318 174.700 -0.215 0.000 1.323 390 T CA -1.779 60.167 62.100 -0.257 0.000 1.647 390 T CB 0.841 69.480 68.868 -0.382 0.000 0.871 390 T HN -0.056 nan 8.240 nan 0.000 0.627 391 P HA 0.260 nan 4.420 nan 0.000 0.264 391 P C 0.994 178.285 177.300 -0.015 0.000 1.183 391 P CA 0.413 63.508 63.100 -0.008 0.000 0.763 391 P CB 0.383 32.082 31.700 -0.003 0.000 0.807 392 G N 4.322 113.133 108.800 0.018 0.000 2.588 392 G HA2 0.214 4.174 3.960 0.001 0.000 0.278 392 G HA3 0.214 4.174 3.960 0.001 0.000 0.278 392 G C -1.471 173.412 174.900 -0.027 0.000 1.307 392 G CA -1.067 44.043 45.100 0.017 0.000 1.016 392 G HN 0.282 nan 8.290 nan 0.000 0.503 393 P HA -0.170 nan 4.420 nan 0.000 0.216 393 P C 1.638 178.924 177.300 -0.023 0.000 1.150 393 P CA 0.974 64.064 63.100 -0.017 0.000 0.837 393 P CB 0.044 31.748 31.700 0.007 0.000 0.786 394 F N 1.679 121.554 119.950 -0.123 0.000 2.075 394 F HA -0.193 4.335 4.527 0.000 0.000 0.297 394 F C 2.100 177.770 175.800 -0.216 0.000 1.113 394 F CA 1.855 59.793 58.000 -0.103 0.000 1.218 394 F CB -0.584 38.301 39.000 -0.192 0.000 0.984 394 F HN -0.156 nan 8.300 nan 0.000 0.472 395 E N 0.550 120.568 120.200 -0.303 0.000 2.085 395 E HA -0.216 4.135 4.350 0.001 0.000 0.194 395 E C 2.205 178.667 176.600 -0.229 0.000 0.994 395 E CA 1.790 57.864 56.400 -0.544 0.000 0.801 395 E CB -0.518 28.853 29.700 -0.548 0.000 0.743 395 E HN 0.447 nan 8.360 nan 0.000 0.453 396 L N -0.020 121.105 121.223 -0.163 0.000 2.217 396 L HA -0.050 4.290 4.340 0.001 0.000 0.211 396 L C 2.289 179.069 176.870 -0.150 0.000 1.107 396 L CA 0.840 55.613 54.840 -0.111 0.000 0.783 396 L CB -0.324 41.686 42.059 -0.083 0.000 0.919 396 L HN 0.170 nan 8.230 nan 0.000 0.442 397 A N -1.309 121.367 122.820 -0.239 0.000 1.975 397 A HA -0.111 4.209 4.320 0.001 0.000 0.215 397 A C 1.970 179.257 177.584 -0.494 0.000 1.170 397 A CA 0.874 52.694 52.037 -0.362 0.000 0.656 397 A CB -0.373 18.352 19.000 -0.458 0.000 0.821 397 A HN 0.407 nan 8.150 nan 0.000 0.449 398 H N -0.613 118.220 119.070 -0.394 0.000 2.654 398 H HA 0.212 4.769 4.556 0.001 0.000 0.264 398 H C 0.140 175.457 175.328 -0.018 0.000 0.954 398 H CA 0.327 56.174 56.048 -0.335 0.000 1.199 398 H CB 0.301 29.523 29.762 -0.900 0.000 1.446 398 H HN 0.325 nan 8.280 nan 0.000 0.516 399 S N 0.356 116.132 115.700 0.127 0.000 2.549 399 S HA 0.126 4.596 4.470 0.001 0.000 0.283 399 S C 1.520 176.221 174.600 0.168 0.000 1.320 399 S CA 0.026 58.383 58.200 0.262 0.000 1.058 399 S CB 1.332 64.676 63.200 0.239 0.000 0.882 399 S HN 0.505 nan 8.310 nan 0.000 0.498 400 G N 1.604 110.514 108.800 0.183 0.000 2.880 400 G HA2 0.158 4.119 3.960 0.001 0.000 0.209 400 G HA3 0.158 4.119 3.960 0.001 0.000 0.209 400 G C 0.399 175.343 174.900 0.073 0.000 1.157 400 G CA -0.057 45.104 45.100 0.102 0.000 0.779 400 G HN 0.585 nan 8.290 nan 0.000 0.539 401 R N -1.135 119.419 120.500 0.091 0.000 2.634 401 R HA 0.464 4.804 4.340 0.001 0.000 0.263 401 R C -2.259 174.092 176.300 0.085 0.000 1.060 401 R CA -0.462 55.679 56.100 0.068 0.000 0.898 401 R CB 1.866 32.197 30.300 0.052 0.000 1.253 401 R HN -0.094 nan 8.270 nan 0.000 0.461 402 V N 3.935 123.887 119.914 0.065 0.000 2.483 402 V HA 0.466 4.586 4.120 0.001 0.000 0.297 402 V C -0.707 175.419 176.094 0.053 0.000 1.027 402 V CA -0.720 61.621 62.300 0.069 0.000 0.855 402 V CB 1.924 33.778 31.823 0.051 0.000 0.995 402 V HN 0.491 nan 8.190 nan 0.000 0.424 403 V N 4.767 124.716 119.914 0.060 0.000 2.384 403 V HA 0.441 4.561 4.120 0.001 0.000 0.287 403 V C 0.053 176.173 176.094 0.043 0.000 1.020 403 V CA -0.652 61.676 62.300 0.047 0.000 0.850 403 V CB 1.683 33.536 31.823 0.050 0.000 0.987 403 V HN 0.867 nan 8.190 nan 0.000 0.436 404 E N 3.725 123.942 120.200 0.028 0.000 2.242 404 E HA 0.472 4.823 4.350 0.001 0.000 0.275 404 E C -0.539 176.065 176.600 0.008 0.000 1.002 404 E CA -0.508 55.903 56.400 0.018 0.000 0.841 404 E CB 2.064 31.769 29.700 0.009 0.000 1.109 404 E HN 0.719 nan 8.360 nan 0.000 0.394 405 Q N 4.058 123.858 119.800 -0.001 0.000 2.337 405 Q HA 0.224 4.564 4.340 0.001 0.000 0.260 405 Q C -0.766 175.214 176.000 -0.034 0.000 0.982 405 Q CA -0.318 55.472 55.803 -0.021 0.000 0.734 405 Q CB 0.693 29.424 28.738 -0.011 0.000 1.272 405 Q HN 0.496 nan 8.270 nan 0.000 0.461 406 I N 2.471 123.010 120.570 -0.053 0.000 3.718 406 I HA 0.143 4.313 4.170 0.001 0.000 0.297 406 I C 0.637 176.698 176.117 -0.092 0.000 1.220 406 I CA 0.006 61.273 61.300 -0.056 0.000 1.381 406 I CB 0.169 38.147 38.000 -0.038 0.000 1.238 406 I HN 0.653 nan 8.210 nan 0.000 0.448 407 I N 3.402 123.880 120.570 -0.153 0.000 2.533 407 I HA 0.083 4.253 4.170 0.001 0.000 0.284 407 I C 0.862 176.838 176.117 -0.235 0.000 1.109 407 I CA 0.220 61.362 61.300 -0.264 0.000 1.412 407 I CB -0.205 37.461 38.000 -0.556 0.000 1.396 407 I HN 0.054 nan 8.210 nan 0.000 0.543 408 R N 7.461 127.853 120.500 -0.181 0.000 2.410 408 R HA 0.233 4.573 4.340 0.001 0.000 0.288 408 R C -1.447 174.773 176.300 -0.133 0.000 1.051 408 R CA -1.359 54.665 56.100 -0.126 0.000 1.021 408 R CB 0.455 30.709 30.300 -0.077 0.000 1.032 408 R HN 0.318 nan 8.270 nan 0.000 0.481 409 P HA -0.168 nan 4.420 nan 0.000 0.218 409 P C 1.079 178.355 177.300 -0.040 0.000 1.148 409 P CA 1.409 64.466 63.100 -0.072 0.000 0.822 409 P CB 0.220 31.890 31.700 -0.050 0.000 0.784 410 T N -5.701 108.831 114.554 -0.036 0.000 3.067 410 T HA 0.198 4.549 4.350 0.001 0.000 0.261 410 T C 1.678 176.378 174.700 0.000 0.000 1.110 410 T CA 0.738 62.828 62.100 -0.016 0.000 1.113 410 T CB -0.914 67.943 68.868 -0.019 0.000 0.917 410 T HN 0.220 nan 8.240 nan 0.000 0.499 411 G N 1.158 109.953 108.800 -0.008 0.000 2.179 411 G HA2 -0.227 3.734 3.960 0.001 0.000 0.260 411 G HA3 -0.227 3.734 3.960 0.001 0.000 0.260 411 G C -0.009 174.900 174.900 0.016 0.000 0.977 411 G CA 0.149 45.264 45.100 0.025 0.000 0.641 411 G HN 0.632 nan 8.290 nan 0.000 0.533 412 L N 0.627 121.848 121.223 -0.004 0.000 2.456 412 L HA 0.430 4.771 4.340 0.001 0.000 0.272 412 L C 1.201 178.067 176.870 -0.006 0.000 1.189 412 L CA -0.323 54.514 54.840 -0.004 0.000 0.846 412 L CB 0.569 42.620 42.059 -0.013 0.000 1.111 412 L HN 0.116 nan 8.230 nan 0.000 0.475 413 L N 1.793 123.017 121.223 0.001 0.000 2.357 413 L HA 0.305 4.645 4.340 0.001 0.000 0.273 413 L C -0.138 176.729 176.870 -0.005 0.000 1.080 413 L CA -0.913 53.928 54.840 0.002 0.000 0.803 413 L CB 1.082 43.148 42.059 0.011 0.000 1.174 413 L HN 0.510 nan 8.230 nan 0.000 0.443 414 D N 2.918 123.314 120.400 -0.007 0.000 2.449 414 D HA 0.090 4.731 4.640 0.001 0.000 0.236 414 D C -2.080 174.218 176.300 -0.004 0.000 1.149 414 D CA -0.357 53.638 54.000 -0.009 0.000 0.878 414 D CB 0.429 41.223 40.800 -0.011 0.000 1.198 414 D HN 0.266 nan 8.370 nan 0.000 0.446 415 P HA 0.061 nan 4.420 nan 0.000 0.272 415 P C -0.412 176.896 177.300 0.013 0.000 1.240 415 P CA -0.328 62.773 63.100 0.001 0.000 0.791 415 P CB 0.659 32.354 31.700 -0.008 0.000 0.978 416 L N 0.782 122.022 121.223 0.028 0.000 2.380 416 L HA 0.242 4.582 4.340 0.001 0.000 0.273 416 L C 0.254 177.159 176.870 0.058 0.000 1.138 416 L CA -0.584 54.281 54.840 0.041 0.000 0.832 416 L CB 0.670 42.765 42.059 0.058 0.000 1.124 416 L HN 0.107 nan 8.230 nan 0.000 0.454 417 V N 4.213 124.154 119.914 0.044 0.000 2.417 417 V HA 0.484 4.604 4.120 0.001 0.000 0.291 417 V C -0.023 176.091 176.094 0.034 0.000 1.024 417 V CA -0.676 61.654 62.300 0.050 0.000 0.861 417 V CB 1.620 33.454 31.823 0.019 0.000 0.985 417 V HN 0.723 nan 8.190 nan 0.000 0.436 418 R N 2.902 123.432 120.500 0.050 0.000 2.711 418 R HA 0.820 5.161 4.340 0.001 0.000 0.284 418 R C -1.443 174.792 176.300 -0.107 0.000 0.968 418 R CA -0.807 55.261 56.100 -0.053 0.000 0.924 418 R CB 2.568 32.780 30.300 -0.145 0.000 1.162 418 R HN 0.488 nan 8.270 nan 0.000 0.465 419 V N 2.709 122.541 119.914 -0.137 0.000 2.417 419 V HA 0.394 4.515 4.120 0.001 0.000 0.291 419 V C -0.358 175.618 176.094 -0.196 0.000 1.024 419 V CA -0.698 61.517 62.300 -0.142 0.000 0.861 419 V CB 1.585 33.360 31.823 -0.081 0.000 0.985 419 V HN 0.648 nan 8.190 nan 0.000 0.436 420 K N 5.779 126.027 120.400 -0.252 0.000 2.375 420 K HA 0.576 4.896 4.320 0.001 0.000 0.249 420 K C -2.776 173.812 176.600 -0.020 0.000 0.942 420 K CA -1.892 54.263 56.287 -0.219 0.000 0.806 420 K CB 2.695 34.930 32.500 -0.442 0.000 1.227 420 K HN 0.352 nan 8.250 nan 0.000 0.430 421 P HA -0.053 nan 4.420 nan 0.000 0.272 421 P C 0.575 177.964 177.300 0.147 0.000 1.230 421 P CA -0.021 63.117 63.100 0.064 0.000 0.788 421 P CB 0.535 32.246 31.700 0.019 0.000 0.949 422 T N -2.696 111.912 114.554 0.089 0.000 3.023 422 T HA -0.067 4.284 4.350 0.001 0.000 0.266 422 T C 0.668 175.365 174.700 -0.006 0.000 1.093 422 T CA 0.320 62.450 62.100 0.051 0.000 1.129 422 T CB -0.527 68.352 68.868 0.018 0.000 0.899 422 T HN 0.470 nan 8.240 nan 0.000 0.491 423 E N 1.797 121.998 120.200 0.003 0.000 2.351 423 E HA 0.089 4.439 4.350 0.001 0.000 0.266 423 E C -0.156 176.433 176.600 -0.018 0.000 1.031 423 E CA 0.143 56.534 56.400 -0.016 0.000 0.911 423 E CB -0.409 29.285 29.700 -0.010 0.000 0.986 423 E HN 0.540 nan 8.360 nan 0.000 0.446 424 N N 2.179 120.853 118.700 -0.043 0.000 2.800 424 N HA -0.315 4.425 4.740 0.001 0.000 0.250 424 N C 0.953 176.426 175.510 -0.063 0.000 1.078 424 N CA 0.792 53.816 53.050 -0.043 0.000 0.804 424 N CB -0.680 37.799 38.487 -0.014 0.000 1.135 424 N HN 0.748 nan 8.380 nan 0.000 0.565 425 Q N 0.179 119.902 119.800 -0.129 0.000 2.124 425 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 425 Q C 1.652 177.440 176.000 -0.353 0.000 0.977 425 Q CA 1.200 56.809 55.803 -0.324 0.000 0.850 425 Q CB -0.058 28.322 28.738 -0.598 0.000 0.901 425 Q HN 0.471 nan 8.270 nan 0.000 0.429 426 I N 0.949 121.366 120.570 -0.255 0.000 2.353 426 I HA -0.154 4.017 4.170 0.001 0.000 0.248 426 I C 2.335 178.421 176.117 -0.053 0.000 1.119 426 I CA 0.647 61.832 61.300 -0.193 0.000 1.417 426 I CB -1.087 36.749 38.000 -0.274 0.000 1.078 426 I HN 0.284 nan 8.210 nan 0.000 0.421 427 L N 1.285 122.490 121.223 -0.030 0.000 2.093 427 L HA -0.196 4.145 4.340 0.001 0.000 0.208 427 L C 2.052 178.967 176.870 0.074 0.000 1.085 427 L CA 1.983 56.845 54.840 0.038 0.000 0.755 427 L CB -0.814 41.262 42.059 0.029 0.000 0.904 427 L HN 0.192 nan 8.230 nan 0.000 0.435 428 D N -0.948 119.496 120.400 0.075 0.000 2.097 428 D HA -0.249 4.391 4.640 0.001 0.000 0.195 428 D C 2.123 178.603 176.300 0.301 0.000 0.989 428 D CA 1.556 55.646 54.000 0.150 0.000 0.827 428 D CB -0.131 40.768 40.800 0.165 0.000 0.966 428 D HN 0.312 nan 8.370 nan 0.000 0.456 429 L N 0.166 121.563 121.223 0.290 0.000 2.017 429 L HA -0.040 4.300 4.340 0.001 0.000 0.208 429 L C 2.314 179.329 176.870 0.242 0.000 1.073 429 L CA 1.832 56.898 54.840 0.376 0.000 0.745 429 L CB -0.778 41.390 42.059 0.181 0.000 0.894 429 L HN 0.250 nan 8.230 nan 0.000 0.432 430 M N -0.891 118.804 119.600 0.158 0.000 2.159 430 M HA -0.239 4.241 4.480 0.001 0.000 0.263 430 M C 2.028 178.408 176.300 0.133 0.000 1.063 430 M CA 1.898 57.275 55.300 0.128 0.000 1.110 430 M CB -0.149 32.514 32.600 0.106 0.000 1.374 430 M HN 0.358 nan 8.290 nan 0.000 0.411 431 E N -0.490 119.802 120.200 0.154 0.000 2.106 431 E HA -0.132 4.219 4.350 0.001 0.000 0.192 431 E C 1.960 178.670 176.600 0.183 0.000 0.984 431 E CA 1.110 57.598 56.400 0.147 0.000 0.806 431 E CB -0.349 29.431 29.700 0.133 0.000 0.750 431 E HN 0.741 nan 8.360 nan 0.000 0.458 432 G N 1.270 110.243 108.800 0.288 0.000 2.408 432 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 432 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 432 G C 1.599 176.547 174.900 0.080 0.000 1.150 432 G CA 0.440 45.718 45.100 0.295 0.000 0.776 432 G HN 0.104 nan 8.290 nan 0.000 0.542 433 I N -0.022 120.589 120.570 0.069 0.000 2.202 433 I HA -0.110 4.060 4.170 0.001 0.000 0.242 433 I C 3.029 179.169 176.117 0.038 0.000 1.091 433 I CA 0.880 62.194 61.300 0.023 0.000 1.368 433 I CB -0.170 37.858 38.000 0.045 0.000 1.058 433 I HN 0.062 nan 8.210 nan 0.000 0.410 434 R N 0.435 120.972 120.500 0.062 0.000 2.092 434 R HA -0.191 4.149 4.340 0.001 0.000 0.231 434 R C 2.230 178.559 176.300 0.047 0.000 1.119 434 R CA 1.379 57.511 56.100 0.054 0.000 0.970 434 R CB -0.320 30.016 30.300 0.060 0.000 0.864 434 R HN 0.424 nan 8.270 nan 0.000 0.440 435 E N 1.148 121.385 120.200 0.061 0.000 2.085 435 E HA -0.239 4.111 4.350 0.001 0.000 0.194 435 E C 1.936 178.557 176.600 0.035 0.000 0.994 435 E CA 1.337 57.771 56.400 0.057 0.000 0.801 435 E CB 0.117 29.868 29.700 0.085 0.000 0.743 435 E HN 0.254 nan 8.360 nan 0.000 0.453 436 R N -0.078 120.434 120.500 0.019 0.000 2.075 436 R HA -0.033 4.307 4.340 0.001 0.000 0.232 436 R C 2.486 178.783 176.300 -0.005 0.000 1.126 436 R CA 1.066 57.162 56.100 -0.006 0.000 0.963 436 R CB -0.305 29.969 30.300 -0.043 0.000 0.858 436 R HN 0.192 nan 8.270 nan 0.000 0.435 437 A N 1.293 124.115 122.820 0.003 0.000 1.940 437 A HA -0.144 4.176 4.320 0.001 0.000 0.219 437 A C 2.334 179.923 177.584 0.009 0.000 1.176 437 A CA 1.721 53.762 52.037 0.007 0.000 0.631 437 A CB -0.647 18.367 19.000 0.022 0.000 0.814 437 A HN 0.407 nan 8.150 nan 0.000 0.446 438 A N 0.403 123.232 122.820 0.015 0.000 2.019 438 A HA -0.136 4.184 4.320 0.001 0.000 0.219 438 A C 1.976 179.565 177.584 0.009 0.000 1.164 438 A CA 1.484 53.530 52.037 0.015 0.000 0.644 438 A CB -0.380 18.632 19.000 0.021 0.000 0.805 438 A HN 0.722 nan 8.150 nan 0.000 0.449 439 R N -2.011 118.492 120.500 0.005 0.000 2.586 439 R HA 0.435 4.775 4.340 0.001 0.000 0.336 439 R C 0.827 177.122 176.300 -0.008 0.000 1.060 439 R CA 0.434 56.534 56.100 0.000 0.000 1.079 439 R CB -0.557 29.745 30.300 0.004 0.000 1.317 439 R HN 0.654 nan 8.270 nan 0.000 0.568 440 G N 0.825 109.618 108.800 -0.012 0.000 2.137 440 G HA2 -0.295 3.665 3.960 0.001 0.000 0.237 440 G HA3 -0.295 3.665 3.960 0.001 0.000 0.237 440 G C -0.483 174.396 174.900 -0.034 0.000 1.002 440 G CA 0.129 45.215 45.100 -0.023 0.000 0.702 440 G HN 0.518 nan 8.290 nan 0.000 0.515 441 E N -0.025 120.155 120.200 -0.033 0.000 2.202 441 E HA 0.658 5.008 4.350 0.001 0.000 0.272 441 E C 0.351 176.919 176.600 -0.053 0.000 0.951 441 E CA -1.058 55.314 56.400 -0.046 0.000 0.813 441 E CB 1.167 30.840 29.700 -0.044 0.000 1.151 441 E HN 0.185 nan 8.360 nan 0.000 0.398 442 R N 0.894 121.353 120.500 -0.068 0.000 2.758 442 R HA 0.592 4.932 4.340 0.001 0.000 0.265 442 R C -0.513 175.741 176.300 -0.076 0.000 1.016 442 R CA -0.663 55.394 56.100 -0.072 0.000 1.040 442 R CB 1.453 31.695 30.300 -0.097 0.000 1.152 442 R HN 0.444 nan 8.270 nan 0.000 0.503 443 T N 1.505 116.026 114.554 -0.055 0.000 2.886 443 T HA 0.519 4.870 4.350 0.001 0.000 0.292 443 T C -0.276 174.413 174.700 -0.018 0.000 1.012 443 T CA -0.640 61.420 62.100 -0.066 0.000 0.982 443 T CB 1.552 70.376 68.868 -0.072 0.000 1.018 443 T HN 0.213 nan 8.240 nan 0.000 0.451 444 L N 2.567 123.774 121.223 -0.026 0.000 2.334 444 L HA 0.834 5.175 4.340 0.001 0.000 0.276 444 L C -0.778 176.105 176.870 0.023 0.000 1.014 444 L CA -1.147 53.704 54.840 0.018 0.000 0.815 444 L CB 1.826 43.893 42.059 0.013 0.000 1.268 444 L HN 0.321 nan 8.230 nan 0.000 0.428 445 V N 0.873 120.821 119.914 0.055 0.000 2.577 445 V HA 0.430 4.550 4.120 0.001 0.000 0.303 445 V C -0.146 175.990 176.094 0.070 0.000 1.042 445 V CA -0.518 61.820 62.300 0.064 0.000 0.872 445 V CB 1.999 33.861 31.823 0.066 0.000 0.998 445 V HN 0.805 nan 8.190 nan 0.000 0.423 446 T N 4.413 119.008 114.554 0.069 0.000 2.797 446 T HA 0.771 5.122 4.350 0.001 0.000 0.279 446 T C -0.555 174.179 174.700 0.057 0.000 0.991 446 T CA -0.308 61.831 62.100 0.065 0.000 0.979 446 T CB 1.291 70.195 68.868 0.060 0.000 0.943 446 T HN 0.875 nan 8.240 nan 0.000 0.444 447 V N 3.494 123.434 119.914 0.044 0.000 3.158 447 V HA 0.631 4.751 4.120 0.001 0.000 0.315 447 V C 0.527 176.635 176.094 0.024 0.000 1.148 447 V CA -0.954 61.360 62.300 0.023 0.000 1.042 447 V CB 1.579 33.397 31.823 -0.008 0.000 1.101 447 V HN 0.858 nan 8.190 nan 0.000 0.448 448 L N 0.577 121.807 121.223 0.011 0.000 2.590 448 L HA 0.301 4.641 4.340 0.001 0.000 0.227 448 L C 0.998 177.867 176.870 -0.001 0.000 1.099 448 L CA 0.931 55.778 54.840 0.011 0.000 0.872 448 L CB 0.508 42.574 42.059 0.010 0.000 1.088 448 L HN 1.043 nan 8.230 nan 0.000 0.479 449 T N -3.999 110.551 114.554 -0.006 0.000 2.916 449 T HA 0.334 4.685 4.350 0.001 0.000 0.292 449 T C 1.053 175.756 174.700 0.005 0.000 1.055 449 T CA -0.281 61.814 62.100 -0.009 0.000 1.009 449 T CB 2.090 70.951 68.868 -0.013 0.000 1.118 449 T HN -0.133 nan 8.240 nan 0.000 0.497 450 V N 0.067 120.000 119.914 0.030 0.000 2.427 450 V HA -0.022 4.098 4.120 0.001 0.000 0.248 450 V C 2.665 178.782 176.094 0.038 0.000 1.051 450 V CA 1.645 64.006 62.300 0.102 0.000 1.048 450 V CB -1.253 30.679 31.823 0.182 0.000 0.666 450 V HN 0.974 nan 8.190 nan 0.000 0.456 451 R N -0.026 120.483 120.500 0.017 0.000 2.081 451 R HA -0.092 4.248 4.340 0.001 0.000 0.235 451 R C 2.325 178.589 176.300 -0.059 0.000 1.131 451 R CA 2.236 58.330 56.100 -0.010 0.000 0.960 451 R CB -0.346 29.951 30.300 -0.005 0.000 0.856 451 R HN 0.513 nan 8.270 nan 0.000 0.436 452 M N 0.109 119.671 119.600 -0.064 0.000 2.117 452 M HA -0.111 4.369 4.480 0.001 0.000 0.262 452 M C 2.487 178.704 176.300 -0.138 0.000 1.065 452 M CA 1.840 57.087 55.300 -0.088 0.000 1.114 452 M CB -0.226 32.334 32.600 -0.067 0.000 1.361 452 M HN 0.335 nan 8.290 nan 0.000 0.408 453 A N 0.251 122.961 122.820 -0.184 0.000 1.902 453 A HA -0.178 4.143 4.320 0.001 0.000 0.217 453 A C 1.922 179.138 177.584 -0.612 0.000 1.181 453 A CA 1.757 53.574 52.037 -0.366 0.000 0.623 453 A CB -0.674 18.097 19.000 -0.381 0.000 0.818 453 A HN 0.509 nan 8.150 nan 0.000 0.443 454 E N -0.340 119.527 120.200 -0.555 0.000 2.038 454 E HA -0.211 4.139 4.350 0.001 0.000 0.195 454 E C 2.080 178.574 176.600 -0.176 0.000 1.000 454 E CA 1.519 57.687 56.400 -0.386 0.000 0.803 454 E CB -0.186 29.449 29.700 -0.108 0.000 0.750 454 E HN 0.723 nan 8.360 nan 0.000 0.448 455 E N 0.325 120.456 120.200 -0.114 0.000 2.106 455 E HA -0.181 4.170 4.350 0.001 0.000 0.192 455 E C 2.124 178.717 176.600 -0.011 0.000 0.984 455 E CA 0.553 56.927 56.400 -0.043 0.000 0.806 455 E CB -0.016 29.652 29.700 -0.053 0.000 0.750 455 E HN 0.093 nan 8.360 nan 0.000 0.458 456 L N 0.905 122.090 121.223 -0.063 0.000 2.056 456 L HA -0.117 4.223 4.340 0.001 0.000 0.207 456 L C 2.162 179.066 176.870 0.058 0.000 1.078 456 L CA 1.849 56.682 54.840 -0.011 0.000 0.749 456 L CB -0.663 41.362 42.059 -0.058 0.000 0.901 456 L HN -0.001 nan 8.230 nan 0.000 0.433 457 T N -0.649 113.893 114.554 -0.022 0.000 2.708 457 T HA -0.188 4.162 4.350 0.001 0.000 0.266 457 T C 2.060 176.797 174.700 0.061 0.000 1.037 457 T CA 1.812 63.920 62.100 0.013 0.000 1.146 457 T CB -0.545 68.304 68.868 -0.031 0.000 0.865 457 T HN 0.680 nan 8.240 nan 0.000 0.435 458 S N 1.314 117.050 115.700 0.060 0.000 2.368 458 S HA -0.114 4.356 4.470 0.001 0.000 0.225 458 S C 1.873 176.556 174.600 0.140 0.000 1.030 458 S CA 0.844 59.093 58.200 0.081 0.000 0.999 458 S CB -0.957 62.285 63.200 0.069 0.000 0.844 458 S HN 0.417 nan 8.310 nan 0.000 0.459 459 F N 2.490 122.463 119.950 0.038 0.000 2.102 459 F HA 0.051 4.579 4.527 0.001 0.000 0.298 459 F C 2.029 177.924 175.800 0.157 0.000 1.105 459 F CA 1.403 59.460 58.000 0.096 0.000 1.239 459 F CB -0.398 38.601 39.000 -0.002 0.000 0.991 459 F HN 0.152 nan 8.300 nan 0.000 0.474 460 L N -0.848 120.492 121.223 0.196 0.000 2.046 460 L HA -0.234 4.107 4.340 0.001 0.000 0.208 460 L C 2.353 179.258 176.870 0.058 0.000 1.077 460 L CA 1.011 55.915 54.840 0.106 0.000 0.747 460 L CB -0.970 41.160 42.059 0.119 0.000 0.896 460 L HN 0.006 nan 8.230 nan 0.000 0.432 461 V N -0.095 119.848 119.914 0.048 0.000 2.407 461 V HA -0.250 3.871 4.120 0.001 0.000 0.248 461 V C 2.180 178.256 176.094 -0.030 0.000 1.055 461 V CA 1.684 63.994 62.300 0.017 0.000 1.049 461 V CB -0.461 31.372 31.823 0.016 0.000 0.662 461 V HN 0.468 nan 8.190 nan 0.000 0.455 462 E N -1.157 119.006 120.200 -0.061 0.000 2.418 462 E HA -0.086 4.264 4.350 0.001 0.000 0.197 462 E C 1.034 177.398 176.600 -0.393 0.000 1.026 462 E CA 0.479 56.763 56.400 -0.192 0.000 0.862 462 E CB -0.024 29.554 29.700 -0.203 0.000 0.799 462 E HN 0.708 nan 8.360 nan 0.000 0.518 463 H N -0.735 118.192 119.070 -0.238 0.000 2.472 463 H HA 0.216 4.772 4.556 0.001 0.000 0.287 463 H C 0.742 176.008 175.328 -0.103 0.000 1.112 463 H CA 0.335 56.255 56.048 -0.213 0.000 1.021 463 H CB 0.937 30.501 29.762 -0.330 0.000 1.635 463 H HN 0.269 nan 8.280 nan 0.000 0.559 464 G N 1.542 110.329 108.800 -0.021 0.000 2.136 464 G HA2 -0.259 3.701 3.960 0.001 0.000 0.242 464 G HA3 -0.259 3.701 3.960 0.001 0.000 0.242 464 G C 0.042 174.960 174.900 0.030 0.000 0.989 464 G CA -0.037 45.065 45.100 0.002 0.000 0.682 464 G HN 0.369 nan 8.290 nan 0.000 0.522 465 I N -0.168 120.427 120.570 0.041 0.000 2.474 465 I HA 0.417 4.587 4.170 0.001 0.000 0.294 465 I C 0.755 176.913 176.117 0.069 0.000 1.005 465 I CA -1.099 60.237 61.300 0.061 0.000 1.113 465 I CB 1.618 39.662 38.000 0.073 0.000 1.289 465 I HN -0.036 nan 8.210 nan 0.000 0.436 466 R N 5.059 125.616 120.500 0.094 0.000 2.893 466 R HA 0.500 4.840 4.340 0.001 0.000 0.243 466 R C -0.461 175.948 176.300 0.182 0.000 1.481 466 R CA -0.217 55.959 56.100 0.127 0.000 1.250 466 R CB 0.266 30.666 30.300 0.166 0.000 1.213 466 R HN 0.625 nan 8.270 nan 0.000 0.609 467 A N 2.736 125.621 122.820 0.107 0.000 2.337 467 A HA 0.668 4.988 4.320 0.001 0.000 0.329 467 A C -0.357 177.209 177.584 -0.029 0.000 1.146 467 A CA -0.886 51.213 52.037 0.104 0.000 0.800 467 A CB 1.041 20.098 19.000 0.095 0.000 1.220 467 A HN 0.387 nan 8.150 nan 0.000 0.472 468 R N 0.300 120.729 120.500 -0.117 0.000 2.854 468 R HA 0.404 4.744 4.340 0.001 0.000 0.271 468 R C -1.692 174.640 176.300 0.053 0.000 0.996 468 R CA -0.638 55.342 56.100 -0.199 0.000 0.961 468 R CB 1.474 31.383 30.300 -0.652 0.000 1.182 468 R HN 0.734 nan 8.270 nan 0.000 0.479 469 Y N 1.601 121.865 120.300 -0.059 0.000 2.331 469 Y HA 0.357 4.907 4.550 0.001 0.000 0.338 469 Y C -0.811 175.112 175.900 0.039 0.000 0.976 469 Y CA -1.658 56.452 58.100 0.017 0.000 1.137 469 Y CB 0.885 39.368 38.460 0.039 0.000 1.172 469 Y HN 0.480 nan 8.280 nan 0.000 0.478 470 L N 7.916 129.261 121.223 0.204 0.000 2.356 470 L HA 0.230 4.570 4.340 0.001 0.000 0.282 470 L C -0.033 176.739 176.870 -0.164 0.000 1.132 470 L CA 0.120 54.970 54.840 0.017 0.000 0.923 470 L CB -0.620 41.499 42.059 0.100 0.000 1.278 470 L HN 0.699 nan 8.230 nan 0.000 0.436 471 H N 3.492 122.217 119.070 -0.576 0.000 2.732 471 H HA 0.036 4.592 4.556 0.001 0.000 0.351 471 H C 0.882 176.057 175.328 -0.255 0.000 1.090 471 H CA 0.478 56.128 56.048 -0.663 0.000 1.431 471 H CB 0.900 30.212 29.762 -0.751 0.000 1.447 471 H HN 0.803 nan 8.280 nan 0.000 0.582 472 H N 2.905 121.579 119.070 -0.660 0.000 2.521 472 H HA -0.061 4.495 4.556 0.001 0.000 0.286 472 H C 0.591 175.810 175.328 -0.181 0.000 1.034 472 H CA 1.017 56.868 56.048 -0.329 0.000 1.278 472 H CB 0.159 29.751 29.762 -0.282 0.000 1.386 472 H HN 0.659 nan 8.280 nan 0.000 0.567 473 E N 0.931 120.857 120.200 -0.457 0.000 2.481 473 E HA 0.164 4.515 4.350 0.001 0.000 0.195 473 E C 0.371 176.955 176.600 -0.026 0.000 1.047 473 E CA -0.338 55.984 56.400 -0.129 0.000 0.867 473 E CB 0.346 30.019 29.700 -0.044 0.000 0.858 473 E HN 0.394 nan 8.360 nan 0.000 0.513 474 L N 2.723 123.938 121.223 -0.014 0.000 2.485 474 L HA -0.019 4.321 4.340 0.001 0.000 0.275 474 L C 0.517 177.379 176.870 -0.014 0.000 1.207 474 L CA -0.268 54.563 54.840 -0.015 0.000 0.855 474 L CB 0.038 42.086 42.059 -0.017 0.000 1.114 474 L HN 0.124 nan 8.230 nan 0.000 0.485 475 D N 1.657 122.057 120.400 0.001 0.000 2.423 475 D HA 0.316 4.957 4.640 0.001 0.000 0.255 475 D C 0.926 177.215 176.300 -0.019 0.000 1.174 475 D CA -0.080 53.915 54.000 -0.008 0.000 1.008 475 D CB 0.960 41.774 40.800 0.025 0.000 1.101 475 D HN 0.488 nan 8.370 nan 0.000 0.516 476 A N -0.135 122.627 122.820 -0.097 0.000 1.903 476 A HA -0.212 4.108 4.320 0.001 0.000 0.219 476 A C 1.978 179.486 177.584 -0.126 0.000 1.191 476 A CA 1.486 53.421 52.037 -0.171 0.000 0.638 476 A CB -1.190 17.607 19.000 -0.339 0.000 0.823 476 A HN 0.566 nan 8.150 nan 0.000 0.451 477 F N 0.014 119.976 119.950 0.021 0.000 2.146 477 F HA -0.096 4.432 4.527 0.001 0.000 0.298 477 F C 2.330 178.142 175.800 0.019 0.000 1.096 477 F CA 1.792 59.811 58.000 0.031 0.000 1.275 477 F CB -0.406 38.616 39.000 0.036 0.000 1.008 477 F HN 0.159 nan 8.300 nan 0.000 0.480 478 K N -0.078 120.441 120.400 0.198 0.000 2.026 478 K HA -0.140 4.180 4.320 0.001 0.000 0.208 478 K C 2.195 178.841 176.600 0.076 0.000 1.048 478 K CA 1.349 57.699 56.287 0.104 0.000 0.929 478 K CB -0.248 32.285 32.500 0.055 0.000 0.713 478 K HN 0.161 nan 8.250 nan 0.000 0.439 479 R N 1.106 121.638 120.500 0.054 0.000 2.083 479 R HA -0.177 4.164 4.340 0.001 0.000 0.237 479 R C 2.471 178.810 176.300 0.065 0.000 1.137 479 R CA 1.729 57.855 56.100 0.044 0.000 0.951 479 R CB -0.329 29.982 30.300 0.018 0.000 0.851 479 R HN 0.313 nan 8.270 nan 0.000 0.434 480 Q N 0.015 119.855 119.800 0.067 0.000 2.096 480 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 480 Q C 2.191 178.254 176.000 0.104 0.000 0.982 480 Q CA 1.859 57.710 55.803 0.081 0.000 0.850 480 Q CB -0.194 28.601 28.738 0.095 0.000 0.901 480 Q HN 0.395 nan 8.270 nan 0.000 0.422 481 A N 0.517 123.409 122.820 0.121 0.000 1.873 481 A HA -0.169 4.151 4.320 0.001 0.000 0.215 481 A C 2.016 179.678 177.584 0.130 0.000 1.186 481 A CA 1.157 53.264 52.037 0.116 0.000 0.616 481 A CB -0.629 18.430 19.000 0.100 0.000 0.823 481 A HN 0.350 nan 8.150 nan 0.000 0.442 482 L N 0.013 121.310 121.223 0.123 0.000 2.046 482 L HA -0.100 4.240 4.340 0.001 0.000 0.208 482 L C 2.226 179.242 176.870 0.243 0.000 1.077 482 L CA 1.756 56.698 54.840 0.169 0.000 0.747 482 L CB -0.442 41.681 42.059 0.106 0.000 0.896 482 L HN 0.438 nan 8.230 nan 0.000 0.432 483 I N -0.895 119.771 120.570 0.160 0.000 2.315 483 I HA -0.276 3.894 4.170 0.001 0.000 0.248 483 I C 2.690 178.856 176.117 0.081 0.000 1.117 483 I CA 1.196 62.570 61.300 0.123 0.000 1.404 483 I CB -0.374 37.671 38.000 0.076 0.000 1.071 483 I HN 0.292 nan 8.210 nan 0.000 0.419 484 R N 1.040 121.594 120.500 0.089 0.000 2.105 484 R HA -0.217 4.123 4.340 0.001 0.000 0.239 484 R C 1.683 178.025 176.300 0.069 0.000 1.135 484 R CA 1.986 58.125 56.100 0.065 0.000 0.967 484 R CB -0.179 30.169 30.300 0.080 0.000 0.861 484 R HN 0.281 nan 8.270 nan 0.000 0.442 485 D N 0.424 120.924 120.400 0.168 0.000 2.219 485 D HA -0.147 4.494 4.640 0.001 0.000 0.205 485 D C 1.700 177.982 176.300 -0.030 0.000 0.970 485 D CA 0.666 54.820 54.000 0.258 0.000 0.851 485 D CB -0.023 41.073 40.800 0.494 0.000 0.943 485 D HN 0.207 nan 8.370 nan 0.000 0.488 486 L N 0.544 121.631 121.223 -0.228 0.000 2.095 486 L HA -0.016 4.325 4.340 0.001 0.000 0.204 486 L C 2.137 178.836 176.870 -0.285 0.000 1.080 486 L CA 1.289 55.784 54.840 -0.576 0.000 0.759 486 L CB -0.265 41.489 42.059 -0.507 0.000 0.914 486 L HN -0.220 nan 8.230 nan 0.000 0.439 487 R N 0.101 120.508 120.500 -0.156 0.000 2.127 487 R HA -0.084 4.257 4.340 0.001 0.000 0.238 487 R C 1.754 177.971 176.300 -0.138 0.000 1.134 487 R CA 1.793 57.824 56.100 -0.115 0.000 0.975 487 R CB -0.872 29.390 30.300 -0.063 0.000 0.865 487 R HN 0.510 nan 8.270 nan 0.000 0.447 488 L N -0.881 120.238 121.223 -0.173 0.000 2.591 488 L HA 0.285 4.625 4.340 0.001 0.000 0.228 488 L C 1.011 177.686 176.870 -0.326 0.000 1.133 488 L CA 0.437 55.130 54.840 -0.245 0.000 0.880 488 L CB -0.157 41.719 42.059 -0.305 0.000 1.033 488 L HN 0.544 nan 8.230 nan 0.000 0.450 489 G N -0.303 108.333 108.800 -0.273 0.000 2.143 489 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 489 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 489 G C 0.704 175.521 174.900 -0.137 0.000 0.991 489 G CA 0.271 45.242 45.100 -0.215 0.000 0.689 489 G HN 0.391 nan 8.290 nan 0.000 0.522 490 H N -1.090 117.950 119.070 -0.050 0.000 2.457 490 H HA 0.131 4.687 4.556 0.001 0.000 0.294 490 H C 1.329 176.754 175.328 0.160 0.000 1.064 490 H CA 1.697 57.788 56.048 0.071 0.000 1.330 490 H CB 0.023 29.877 29.762 0.153 0.000 1.395 490 H HN 0.840 nan 8.280 nan 0.000 0.541 491 Y N -2.827 117.550 120.300 0.129 0.000 2.715 491 Y HA 0.446 4.997 4.550 0.001 0.000 0.331 491 Y C 0.077 176.005 175.900 0.047 0.000 1.197 491 Y CA -1.376 56.771 58.100 0.079 0.000 1.079 491 Y CB 0.889 39.394 38.460 0.075 0.000 1.298 491 Y HN -0.334 nan 8.280 nan 0.000 0.477 492 D N -0.333 120.147 120.400 0.132 0.000 2.454 492 D HA 0.133 4.774 4.640 0.001 0.000 0.214 492 D C -0.701 175.632 176.300 0.056 0.000 1.088 492 D CA 0.721 54.735 54.000 0.023 0.000 0.855 492 D CB 1.014 41.842 40.800 0.046 0.000 1.025 492 D HN 0.474 nan 8.370 nan 0.000 0.502 493 C N 1.346 120.778 119.300 0.221 0.000 2.608 493 C HA 0.668 5.128 4.460 0.001 0.000 0.325 493 C C -1.650 173.543 174.990 0.337 0.000 1.147 493 C CA -0.843 58.292 59.018 0.195 0.000 1.359 493 C CB 0.361 28.183 27.740 0.136 0.000 1.912 493 C HN 0.114 nan 8.230 nan 0.000 0.466 494 L N 6.582 127.962 121.223 0.262 0.000 2.333 494 L HA 0.833 5.174 4.340 0.001 0.000 0.280 494 L C -0.812 176.163 176.870 0.174 0.000 1.004 494 L CA -0.086 54.923 54.840 0.281 0.000 0.820 494 L CB 1.832 44.066 42.059 0.291 0.000 1.247 494 L HN 0.576 nan 8.230 nan 0.000 0.416 495 V N 4.801 124.819 119.914 0.173 0.000 2.459 495 V HA 0.982 5.102 4.120 0.001 0.000 0.295 495 V C 0.423 176.646 176.094 0.216 0.000 1.029 495 V CA 0.054 62.439 62.300 0.142 0.000 0.874 495 V CB 1.039 32.912 31.823 0.082 0.000 0.985 495 V HN 0.973 nan 8.190 nan 0.000 0.438 496 G N 2.669 111.573 108.800 0.173 0.000 2.645 496 G HA2 0.602 4.562 3.960 0.001 0.000 0.292 496 G HA3 0.602 4.562 3.960 0.001 0.000 0.292 496 G C -0.051 174.936 174.900 0.144 0.000 1.415 496 G CA -0.504 44.727 45.100 0.218 0.000 0.785 496 G HN 0.469 nan 8.290 nan 0.000 0.483 497 I N -0.491 120.164 120.570 0.141 0.000 2.522 497 I HA 0.127 4.297 4.170 0.001 0.000 0.240 497 I C 0.630 176.794 176.117 0.078 0.000 1.078 497 I CA 0.146 61.498 61.300 0.088 0.000 1.422 497 I CB 0.206 38.244 38.000 0.064 0.000 1.188 497 I HN 0.304 nan 8.210 nan 0.000 0.442 498 N N 1.788 120.535 118.700 0.078 0.000 2.500 498 N HA 0.219 4.959 4.740 0.001 0.000 0.236 498 N C -0.002 175.553 175.510 0.076 0.000 1.022 498 N CA 0.097 53.195 53.050 0.080 0.000 0.935 498 N CB 0.955 39.485 38.487 0.071 0.000 1.147 498 N HN 0.192 nan 8.380 nan 0.000 0.512 499 L N 3.142 124.409 121.223 0.073 0.000 2.628 499 L HA 0.230 4.571 4.340 0.001 0.000 0.229 499 L C 0.665 177.570 176.870 0.058 0.000 1.137 499 L CA 0.099 54.978 54.840 0.064 0.000 0.909 499 L CB 0.134 42.227 42.059 0.056 0.000 1.137 499 L HN 0.407 nan 8.230 nan 0.000 0.470 500 L N 1.558 122.824 121.223 0.071 0.000 2.727 500 L HA 0.194 4.534 4.340 0.001 0.000 0.237 500 L C 0.209 177.115 176.870 0.060 0.000 1.370 500 L CA -0.024 54.862 54.840 0.075 0.000 1.248 500 L CB -0.581 41.547 42.059 0.115 0.000 1.556 500 L HN 0.201 nan 8.230 nan 0.000 0.420 501 R N 0.401 120.928 120.500 0.044 0.000 2.787 501 R HA 0.442 4.782 4.340 0.001 0.000 0.271 501 R C -0.129 176.183 176.300 0.021 0.000 0.993 501 R CA -1.020 55.097 56.100 0.028 0.000 0.993 501 R CB 1.360 31.677 30.300 0.028 0.000 1.155 501 R HN 0.106 nan 8.270 nan 0.000 0.486 502 E N -0.285 119.919 120.200 0.007 0.000 2.398 502 E HA 0.325 4.676 4.350 0.001 0.000 0.263 502 E C 1.060 177.664 176.600 0.006 0.000 1.046 502 E CA 0.749 57.150 56.400 0.003 0.000 0.908 502 E CB 0.288 29.981 29.700 -0.011 0.000 0.963 502 E HN 0.800 nan 8.360 nan 0.000 0.431 503 G N 1.373 110.175 108.800 0.003 0.000 2.176 503 G HA2 -0.296 3.665 3.960 0.001 0.000 0.253 503 G HA3 -0.296 3.665 3.960 0.001 0.000 0.253 503 G C 0.508 175.411 174.900 0.004 0.000 0.979 503 G CA 0.189 45.291 45.100 0.003 0.000 0.641 503 G HN 0.448 nan 8.290 nan 0.000 0.530 504 L N 1.007 122.235 121.223 0.008 0.000 2.672 504 L HA 0.247 4.588 4.340 0.001 0.000 0.236 504 L C -0.086 176.780 176.870 -0.006 0.000 1.186 504 L CA -0.059 54.785 54.840 0.006 0.000 0.977 504 L CB 0.159 42.229 42.059 0.019 0.000 1.203 504 L HN 0.102 nan 8.230 nan 0.000 0.448 505 D N 1.637 122.031 120.400 -0.011 0.000 2.499 505 D HA 0.366 5.006 4.640 0.001 0.000 0.225 505 D C -0.077 176.206 176.300 -0.027 0.000 1.124 505 D CA 0.139 54.128 54.000 -0.019 0.000 0.938 505 D CB 1.242 42.032 40.800 -0.017 0.000 1.014 505 D HN 0.144 nan 8.370 nan 0.000 0.517 506 I N 2.002 122.552 120.570 -0.034 0.000 2.406 506 I HA 0.181 4.351 4.170 0.001 0.000 0.290 506 I C -1.588 174.502 176.117 -0.046 0.000 0.999 506 I CA -2.326 58.948 61.300 -0.044 0.000 1.124 506 I CB 2.518 40.485 38.000 -0.055 0.000 1.289 506 I HN -0.111 nan 8.210 nan 0.000 0.441 507 P HA -0.150 nan 4.420 nan 0.000 0.218 507 P C 0.784 178.056 177.300 -0.047 0.000 1.148 507 P CA 1.195 64.270 63.100 -0.042 0.000 0.822 507 P CB 0.270 31.947 31.700 -0.038 0.000 0.784 508 E N -1.141 119.025 120.200 -0.056 0.000 2.427 508 E HA -0.008 4.342 4.350 0.001 0.000 0.196 508 E C 0.261 176.822 176.600 -0.066 0.000 1.028 508 E CA 0.186 56.550 56.400 -0.061 0.000 0.864 508 E CB -0.520 29.136 29.700 -0.073 0.000 0.813 508 E HN 0.040 nan 8.360 nan 0.000 0.514 509 V N 2.014 121.888 119.914 -0.066 0.000 2.415 509 V HA -0.005 4.115 4.120 0.001 0.000 0.267 509 V C 1.098 177.149 176.094 -0.073 0.000 1.042 509 V CA 0.788 63.045 62.300 -0.071 0.000 1.000 509 V CB 0.938 32.724 31.823 -0.062 0.000 1.015 509 V HN 0.277 nan 8.190 nan 0.000 0.478 510 S N 4.668 120.314 115.700 -0.088 0.000 2.559 510 S HA 0.349 4.819 4.470 0.001 0.000 0.226 510 S C -0.231 174.278 174.600 -0.151 0.000 1.000 510 S CA -0.214 57.929 58.200 -0.095 0.000 0.948 510 S CB 0.301 63.455 63.200 -0.077 0.000 0.870 510 S HN 0.464 nan 8.310 nan 0.000 0.497 511 L N 1.473 122.581 121.223 -0.192 0.000 2.464 511 L HA 0.731 5.072 4.340 0.001 0.000 0.266 511 L C -1.680 175.047 176.870 -0.238 0.000 0.965 511 L CA -0.629 54.020 54.840 -0.319 0.000 0.833 511 L CB 2.225 43.987 42.059 -0.495 0.000 1.296 511 L HN 0.021 nan 8.230 nan 0.000 0.405 512 V N 4.356 124.136 119.914 -0.222 0.000 2.444 512 V HA 0.878 4.998 4.120 0.001 0.000 0.294 512 V C -0.004 176.029 176.094 -0.100 0.000 1.022 512 V CA -0.300 61.931 62.300 -0.115 0.000 0.850 512 V CB 1.478 33.265 31.823 -0.060 0.000 0.992 512 V HN 0.962 nan 8.190 nan 0.000 0.426 513 A N 6.440 129.248 122.820 -0.019 0.000 2.303 513 A HA 0.865 5.186 4.320 0.001 0.000 0.320 513 A C -0.616 177.062 177.584 0.157 0.000 1.192 513 A CA -0.463 51.649 52.037 0.124 0.000 0.821 513 A CB 0.570 19.713 19.000 0.239 0.000 1.188 513 A HN 0.788 nan 8.150 nan 0.000 0.492 514 I N 4.453 125.137 120.570 0.189 0.000 2.371 514 I HA 0.186 4.356 4.170 0.001 0.000 0.282 514 I C -0.552 175.700 176.117 0.225 0.000 1.031 514 I CA -0.552 60.839 61.300 0.152 0.000 1.180 514 I CB 0.898 38.950 38.000 0.085 0.000 1.336 514 I HN 0.422 nan 8.210 nan 0.000 0.467 515 L N 5.007 126.343 121.223 0.188 0.000 2.453 515 L HA 0.186 4.527 4.340 0.001 0.000 0.261 515 L C 0.795 177.724 176.870 0.098 0.000 1.179 515 L CA 0.435 55.369 54.840 0.156 0.000 0.813 515 L CB 0.313 42.399 42.059 0.044 0.000 1.110 515 L HN 0.658 nan 8.230 nan 0.000 0.466 516 D N 1.650 122.100 120.400 0.083 0.000 2.689 516 D HA -0.204 4.436 4.640 0.001 0.000 0.237 516 D C 1.278 177.609 176.300 0.050 0.000 1.148 516 D CA 0.968 54.999 54.000 0.051 0.000 0.656 516 D CB -0.215 40.600 40.800 0.025 0.000 1.050 516 D HN 0.737 nan 8.370 nan 0.000 0.426 517 A N 0.675 123.536 122.820 0.069 0.000 2.019 517 A HA -0.200 4.120 4.320 0.001 0.000 0.219 517 A C 1.710 179.306 177.584 0.020 0.000 1.164 517 A CA 1.770 53.834 52.037 0.045 0.000 0.644 517 A CB 0.062 19.092 19.000 0.049 0.000 0.805 517 A HN 0.367 nan 8.150 nan 0.000 0.449 518 D N -0.907 119.505 120.400 0.020 0.000 2.349 518 D HA 0.050 4.691 4.640 0.001 0.000 0.214 518 D C 0.077 176.380 176.300 0.004 0.000 1.063 518 D CA 0.057 54.061 54.000 0.007 0.000 0.847 518 D CB 0.000 40.805 40.800 0.008 0.000 0.933 518 D HN 0.065 nan 8.370 nan 0.000 0.513 519 K N 1.000 121.405 120.400 0.008 0.000 2.118 519 K HA 0.246 4.567 4.320 0.001 0.000 0.264 519 K C 0.339 176.941 176.600 0.003 0.000 1.000 519 K CA -0.572 55.719 56.287 0.006 0.000 0.929 519 K CB 1.476 33.981 32.500 0.009 0.000 1.021 519 K HN 0.141 nan 8.250 nan 0.000 0.463 520 E N -0.059 120.143 120.200 0.004 0.000 2.404 520 E HA 0.324 4.674 4.350 0.001 0.000 0.261 520 E C -0.071 176.539 176.600 0.017 0.000 1.074 520 E CA 0.401 56.805 56.400 0.007 0.000 0.917 520 E CB 0.519 30.223 29.700 0.008 0.000 0.965 520 E HN 0.689 nan 8.360 nan 0.000 0.433 521 G N 1.869 110.684 108.800 0.026 0.000 2.316 521 G HA2 -0.182 3.778 3.960 0.001 0.000 0.468 521 G HA3 -0.182 3.778 3.960 0.001 0.000 0.468 521 G C -0.378 174.567 174.900 0.075 0.000 1.523 521 G CA -0.393 44.742 45.100 0.060 0.000 0.972 521 G HN 0.551 nan 8.290 nan 0.000 0.667 522 F N 0.741 120.685 119.950 -0.010 0.000 2.126 522 F HA 0.023 4.550 4.527 0.000 0.000 0.299 522 F C 2.306 178.105 175.800 -0.001 0.000 1.096 522 F CA 2.138 60.133 58.000 -0.007 0.000 1.255 522 F CB 0.001 38.994 39.000 -0.012 0.000 0.997 522 F HN 0.295 nan 8.300 nan 0.000 0.479 523 L N 0.107 121.361 121.223 0.052 0.000 2.610 523 L HA 0.012 4.353 4.340 0.001 0.000 0.232 523 L C 1.114 177.934 176.870 -0.083 0.000 1.149 523 L CA 0.290 55.111 54.840 -0.031 0.000 0.872 523 L CB -0.347 41.766 42.059 0.090 0.000 0.992 523 L HN 0.040 nan 8.230 nan 0.000 0.447 524 R N -0.734 119.711 120.500 -0.092 0.000 2.600 524 R HA 0.189 4.529 4.340 0.001 0.000 0.392 524 R C 0.645 176.883 176.300 -0.102 0.000 1.032 524 R CA -0.016 56.041 56.100 -0.072 0.000 1.139 524 R CB 0.364 30.649 30.300 -0.026 0.000 1.400 524 R HN 0.223 nan 8.270 nan 0.000 0.566 525 S N -0.234 115.357 115.700 -0.181 0.000 2.600 525 S HA 0.069 4.539 4.470 0.001 0.000 0.265 525 S C 1.304 175.812 174.600 -0.154 0.000 1.325 525 S CA -0.481 57.614 58.200 -0.174 0.000 1.002 525 S CB 1.946 64.986 63.200 -0.266 0.000 0.921 525 S HN 0.305 nan 8.310 nan 0.000 0.554 526 E N 1.225 121.355 120.200 -0.116 0.000 2.070 526 E HA -0.247 4.103 4.350 0.001 0.000 0.197 526 E C 2.157 178.683 176.600 -0.123 0.000 1.004 526 E CA 1.365 57.706 56.400 -0.098 0.000 0.805 526 E CB -0.127 29.527 29.700 -0.076 0.000 0.744 526 E HN 0.707 nan 8.360 nan 0.000 0.451 527 R N -0.021 120.387 120.500 -0.152 0.000 2.081 527 R HA -0.063 4.277 4.340 0.001 0.000 0.235 527 R C 2.704 178.889 176.300 -0.192 0.000 1.131 527 R CA 1.471 57.467 56.100 -0.174 0.000 0.960 527 R CB -0.263 29.935 30.300 -0.169 0.000 0.856 527 R HN 0.092 nan 8.270 nan 0.000 0.436 528 S N 1.210 116.751 115.700 -0.265 0.000 2.382 528 S HA -0.063 4.407 4.470 0.001 0.000 0.228 528 S C 1.983 176.500 174.600 -0.138 0.000 1.027 528 S CA 0.974 59.025 58.200 -0.249 0.000 0.991 528 S CB -0.146 62.805 63.200 -0.416 0.000 0.823 528 S HN 0.207 nan 8.310 nan 0.000 0.469 529 L N 0.817 121.966 121.223 -0.123 0.000 2.046 529 L HA -0.086 4.254 4.340 0.001 0.000 0.208 529 L C 2.183 179.014 176.870 -0.064 0.000 1.077 529 L CA 1.110 55.905 54.840 -0.075 0.000 0.747 529 L CB -0.559 41.462 42.059 -0.063 0.000 0.896 529 L HN 0.305 nan 8.230 nan 0.000 0.432 530 I N -0.744 119.778 120.570 -0.080 0.000 2.226 530 I HA -0.281 3.889 4.170 0.001 0.000 0.245 530 I C 2.724 178.802 176.117 -0.064 0.000 1.100 530 I CA 1.078 62.335 61.300 -0.071 0.000 1.374 530 I CB -0.297 37.651 38.000 -0.086 0.000 1.057 530 I HN 0.353 nan 8.210 nan 0.000 0.413 531 Q N 0.122 119.878 119.800 -0.074 0.000 2.124 531 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 531 Q C 2.287 178.275 176.000 -0.020 0.000 0.977 531 Q CA 1.909 57.687 55.803 -0.042 0.000 0.850 531 Q CB -0.583 28.143 28.738 -0.019 0.000 0.901 531 Q HN 0.504 nan 8.270 nan 0.000 0.429 532 T N 1.529 116.069 114.554 -0.023 0.000 2.777 532 T HA -0.037 4.313 4.350 0.001 0.000 0.266 532 T C 2.045 176.736 174.700 -0.014 0.000 1.040 532 T CA 0.687 62.781 62.100 -0.010 0.000 1.141 532 T CB -0.185 68.677 68.868 -0.009 0.000 0.868 532 T HN 0.176 nan 8.240 nan 0.000 0.444 533 I N 1.424 121.981 120.570 -0.021 0.000 2.248 533 I HA -0.163 4.007 4.170 0.001 0.000 0.248 533 I C 2.774 178.878 176.117 -0.023 0.000 1.107 533 I CA 1.260 62.547 61.300 -0.021 0.000 1.373 533 I CB -0.557 37.430 38.000 -0.022 0.000 1.055 533 I HN 0.327 nan 8.210 nan 0.000 0.418 534 G N 0.205 108.991 108.800 -0.023 0.000 2.470 534 G HA2 -0.245 3.715 3.960 0.001 0.000 0.220 534 G HA3 -0.245 3.715 3.960 0.001 0.000 0.220 534 G C 1.620 176.508 174.900 -0.020 0.000 1.121 534 G CA 0.297 45.384 45.100 -0.022 0.000 0.766 534 G HN 0.235 nan 8.290 nan 0.000 0.553 535 R N 0.290 120.780 120.500 -0.018 0.000 2.328 535 R HA 0.211 4.551 4.340 0.001 0.000 0.207 535 R C 2.156 178.437 176.300 -0.031 0.000 1.056 535 R CA 0.827 56.916 56.100 -0.019 0.000 1.016 535 R CB -0.074 30.219 30.300 -0.012 0.000 0.872 535 R HN 0.290 nan 8.270 nan 0.000 0.471 536 A N -0.776 122.023 122.820 -0.035 0.000 2.430 536 A HA 0.432 4.752 4.320 0.001 0.000 0.243 536 A C 1.332 178.895 177.584 -0.035 0.000 1.254 536 A CA 0.301 52.311 52.037 -0.045 0.000 0.914 536 A CB 0.226 19.192 19.000 -0.056 0.000 0.998 536 A HN 0.197 nan 8.150 nan 0.000 0.515 537 A N -0.323 122.479 122.820 -0.029 0.000 2.337 537 A HA 0.229 4.549 4.320 0.001 0.000 0.227 537 A C 1.525 179.094 177.584 -0.025 0.000 1.259 537 A CA -0.022 52.001 52.037 -0.025 0.000 0.870 537 A CB -0.247 18.739 19.000 -0.023 0.000 0.927 537 A HN 0.379 nan 8.150 nan 0.000 0.497 538 R N -0.041 120.442 120.500 -0.028 0.000 2.432 538 R HA 0.159 4.500 4.340 0.001 0.000 0.260 538 R C -0.219 176.064 176.300 -0.028 0.000 0.935 538 R CA -0.125 55.958 56.100 -0.028 0.000 1.080 538 R CB 0.235 30.517 30.300 -0.031 0.000 1.155 538 R HN 0.404 nan 8.270 nan 0.000 0.531 539 N N -0.218 118.465 118.700 -0.028 0.000 2.284 539 N HA 0.178 4.918 4.740 0.001 0.000 0.300 539 N C 0.094 175.593 175.510 -0.018 0.000 1.047 539 N CA -0.024 53.010 53.050 -0.027 0.000 0.821 539 N CB 2.049 40.515 38.487 -0.036 0.000 1.337 539 N HN -0.022 nan 8.380 nan 0.000 0.482 540 A N 3.147 125.959 122.820 -0.013 0.000 2.216 540 A HA -0.022 4.299 4.320 0.001 0.000 0.214 540 A C 1.204 178.787 177.584 -0.001 0.000 1.160 540 A CA 1.037 53.072 52.037 -0.004 0.000 0.725 540 A CB -0.040 18.960 19.000 -0.001 0.000 0.784 540 A HN 0.729 nan 8.150 nan 0.000 0.472 541 R N -0.635 119.862 120.500 -0.006 0.000 2.629 541 R HA 0.175 4.515 4.340 0.001 0.000 0.408 541 R C 0.650 176.945 176.300 -0.008 0.000 1.057 541 R CA 0.132 56.232 56.100 0.000 0.000 1.119 541 R CB 0.663 30.965 30.300 0.003 0.000 1.403 541 R HN 0.348 nan 8.270 nan 0.000 0.576 542 G N 1.276 110.065 108.800 -0.018 0.000 2.321 542 G HA2 0.008 3.968 3.960 0.001 0.000 0.237 542 G HA3 0.008 3.968 3.960 0.001 0.000 0.237 542 G C -0.305 174.582 174.900 -0.022 0.000 1.282 542 G CA 0.168 45.248 45.100 -0.034 0.000 0.886 542 G HN 0.213 nan 8.290 nan 0.000 0.528 543 E N 0.083 120.249 120.200 -0.055 0.000 2.367 543 E HA 0.481 4.832 4.350 0.001 0.000 0.273 543 E C -1.235 175.307 176.600 -0.097 0.000 0.903 543 E CA -0.832 55.556 56.400 -0.019 0.000 0.764 543 E CB 2.868 32.601 29.700 0.055 0.000 1.252 543 E HN 0.264 nan 8.360 nan 0.000 0.446 544 V N 1.896 121.818 119.914 0.013 0.000 2.487 544 V HA 0.360 4.480 4.120 0.001 0.000 0.298 544 V C -1.261 174.959 176.094 0.210 0.000 1.028 544 V CA -0.826 61.477 62.300 0.006 0.000 0.860 544 V CB 1.158 32.990 31.823 0.014 0.000 0.991 544 V HN 0.585 nan 8.190 nan 0.000 0.427 545 W N 5.365 126.600 121.300 -0.108 0.000 2.361 545 W HA 0.647 5.308 4.660 0.001 0.000 0.314 545 W C -0.564 175.785 176.519 -0.283 0.000 1.041 545 W CA -1.475 55.721 57.345 -0.249 0.000 1.241 545 W CB 1.155 30.409 29.460 -0.343 0.000 1.279 545 W HN 0.324 nan 8.180 nan 0.000 0.436 546 L N 4.974 126.153 121.223 -0.073 0.000 2.262 546 L HA 0.312 4.653 4.340 0.001 0.000 0.288 546 L C -0.703 176.078 176.870 -0.148 0.000 1.035 546 L CA -0.985 53.822 54.840 -0.055 0.000 0.820 546 L CB 0.221 42.266 42.059 -0.024 0.000 1.204 546 L HN 0.220 nan 8.230 nan 0.000 0.424 547 Y N 2.941 123.279 120.300 0.063 0.000 2.383 547 Y HA 0.602 5.152 4.550 0.000 0.000 0.344 547 Y C 0.507 176.413 175.900 0.010 0.000 0.986 547 Y CA -0.244 57.874 58.100 0.030 0.000 1.175 547 Y CB 1.299 39.782 38.460 0.038 0.000 1.152 547 Y HN 0.659 nan 8.280 nan 0.000 0.511 548 A N 2.213 125.107 122.820 0.123 0.000 2.599 548 A HA 0.414 4.735 4.320 0.001 0.000 0.294 548 A C -0.636 176.970 177.584 0.036 0.000 1.055 548 A CA -0.852 51.225 52.037 0.066 0.000 0.683 548 A CB 1.028 20.049 19.000 0.036 0.000 1.278 548 A HN 0.603 nan 8.150 nan 0.000 0.412 549 D N 0.478 120.893 120.400 0.024 0.000 2.369 549 D HA 0.175 4.815 4.640 0.001 0.000 0.211 549 D C 0.277 176.577 176.300 0.001 0.000 1.077 549 D CA 0.683 54.689 54.000 0.010 0.000 0.842 549 D CB 0.453 41.258 40.800 0.008 0.000 0.947 549 D HN 0.472 nan 8.370 nan 0.000 0.509 550 R N -0.399 120.101 120.500 0.001 0.000 2.799 550 R HA 0.537 4.877 4.340 0.001 0.000 0.270 550 R C -1.181 175.115 176.300 -0.007 0.000 1.010 550 R CA -0.832 55.265 56.100 -0.005 0.000 0.916 550 R CB 2.456 32.754 30.300 -0.004 0.000 1.228 550 R HN -0.249 nan 8.270 nan 0.000 0.469 551 V N 2.107 122.015 119.914 -0.011 0.000 2.328 551 V HA 0.196 4.316 4.120 0.001 0.000 0.278 551 V C 0.366 176.453 176.094 -0.012 0.000 1.021 551 V CA -0.550 61.742 62.300 -0.013 0.000 0.838 551 V CB 1.191 33.004 31.823 -0.017 0.000 0.999 551 V HN 0.928 nan 8.190 nan 0.000 0.447 552 S N 2.805 118.498 115.700 -0.012 0.000 2.614 552 S HA 0.228 4.699 4.470 0.001 0.000 0.265 552 S C 1.051 175.640 174.600 -0.018 0.000 1.303 552 S CA -0.105 58.087 58.200 -0.014 0.000 1.000 552 S CB 1.405 64.597 63.200 -0.014 0.000 0.935 552 S HN 0.729 nan 8.310 nan 0.000 0.551 553 E N 1.380 121.569 120.200 -0.019 0.000 2.110 553 E HA -0.089 4.261 4.350 0.001 0.000 0.193 553 E C 2.006 178.590 176.600 -0.027 0.000 0.988 553 E CA 1.725 58.112 56.400 -0.021 0.000 0.804 553 E CB -0.883 28.805 29.700 -0.020 0.000 0.745 553 E HN 0.783 nan 8.360 nan 0.000 0.458 554 A N 0.269 123.071 122.820 -0.030 0.000 1.877 554 A HA -0.183 4.137 4.320 0.001 0.000 0.216 554 A C 2.311 179.872 177.584 -0.038 0.000 1.186 554 A CA 1.882 53.895 52.037 -0.040 0.000 0.620 554 A CB -0.580 18.392 19.000 -0.048 0.000 0.822 554 A HN 0.364 nan 8.150 nan 0.000 0.443 555 M N -1.428 118.154 119.600 -0.030 0.000 2.080 555 M HA -0.227 4.254 4.480 0.001 0.000 0.260 555 M C 2.480 178.765 176.300 -0.025 0.000 1.068 555 M CA 2.119 57.403 55.300 -0.025 0.000 1.109 555 M CB -0.310 32.279 32.600 -0.019 0.000 1.342 555 M HN 0.557 nan 8.290 nan 0.000 0.405 556 Q N 0.479 120.264 119.800 -0.024 0.000 2.061 556 Q HA -0.157 4.183 4.340 0.001 0.000 0.204 556 Q C 1.980 177.966 176.000 -0.024 0.000 0.984 556 Q CA 1.798 57.587 55.803 -0.022 0.000 0.846 556 Q CB -0.072 28.653 28.738 -0.021 0.000 0.902 556 Q HN 0.239 nan 8.270 nan 0.000 0.421 557 R N -0.346 120.137 120.500 -0.028 0.000 2.115 557 R HA 0.071 4.411 4.340 0.001 0.000 0.226 557 R C 2.090 178.370 176.300 -0.034 0.000 1.100 557 R CA 1.105 57.186 56.100 -0.030 0.000 0.980 557 R CB -0.896 29.384 30.300 -0.034 0.000 0.875 557 R HN 0.407 nan 8.270 nan 0.000 0.445 558 A N 1.082 123.880 122.820 -0.037 0.000 1.898 558 A HA -0.068 4.252 4.320 0.001 0.000 0.216 558 A C 2.274 179.840 177.584 -0.029 0.000 1.181 558 A CA 0.938 52.952 52.037 -0.039 0.000 0.620 558 A CB -0.403 18.571 19.000 -0.043 0.000 0.819 558 A HN 0.161 nan 8.150 nan 0.000 0.442 559 I N -0.403 120.153 120.570 -0.024 0.000 2.226 559 I HA -0.261 3.910 4.170 0.001 0.000 0.245 559 I C 2.477 178.584 176.117 -0.017 0.000 1.100 559 I CA 1.597 62.886 61.300 -0.018 0.000 1.374 559 I CB -0.431 37.558 38.000 -0.018 0.000 1.057 559 I HN 0.415 nan 8.210 nan 0.000 0.413 560 E N 0.360 120.549 120.200 -0.019 0.000 2.110 560 E HA -0.285 4.066 4.350 0.001 0.000 0.193 560 E C 2.015 178.605 176.600 -0.017 0.000 0.988 560 E CA 1.318 57.708 56.400 -0.017 0.000 0.804 560 E CB -0.034 29.655 29.700 -0.018 0.000 0.745 560 E HN 0.338 nan 8.360 nan 0.000 0.458 561 E N 0.383 120.570 120.200 -0.022 0.000 2.072 561 E HA -0.123 4.227 4.350 0.001 0.000 0.191 561 E C 1.913 178.501 176.600 -0.020 0.000 0.985 561 E CA 1.646 58.032 56.400 -0.023 0.000 0.801 561 E CB -0.224 29.456 29.700 -0.032 0.000 0.750 561 E HN 0.062 nan 8.360 nan 0.000 0.452 562 T N 0.997 115.539 114.554 -0.020 0.000 2.746 562 T HA -0.161 4.190 4.350 0.001 0.000 0.267 562 T C 1.648 176.342 174.700 -0.009 0.000 1.039 562 T CA 1.326 63.417 62.100 -0.016 0.000 1.142 562 T CB -0.467 68.392 68.868 -0.014 0.000 0.866 562 T HN 0.300 nan 8.240 nan 0.000 0.444 563 N N 1.120 119.815 118.700 -0.008 0.000 2.166 563 N HA -0.131 4.609 4.740 0.001 0.000 0.186 563 N C 2.129 177.638 175.510 -0.002 0.000 1.019 563 N CA 0.999 54.047 53.050 -0.004 0.000 0.856 563 N CB -0.132 38.353 38.487 -0.004 0.000 0.993 563 N HN 0.348 nan 8.380 nan 0.000 0.426 564 R N 0.760 121.257 120.500 -0.005 0.000 2.073 564 R HA -0.056 4.285 4.340 0.001 0.000 0.234 564 R C 2.377 178.677 176.300 -0.000 0.000 1.134 564 R CA 1.245 57.344 56.100 -0.003 0.000 0.952 564 R CB -0.021 30.276 30.300 -0.006 0.000 0.850 564 R HN 0.254 nan 8.270 nan 0.000 0.433 565 R N -0.279 120.217 120.500 -0.006 0.000 2.073 565 R HA -0.117 4.223 4.340 0.001 0.000 0.234 565 R C 2.553 178.853 176.300 -0.000 0.000 1.134 565 R CA 1.627 57.722 56.100 -0.007 0.000 0.952 565 R CB -0.401 29.889 30.300 -0.015 0.000 0.850 565 R HN 0.218 nan 8.270 nan 0.000 0.433 566 R N 0.720 121.221 120.500 0.001 0.000 2.091 566 R HA -0.145 4.195 4.340 0.001 0.000 0.238 566 R C 2.176 178.486 176.300 0.018 0.000 1.136 566 R CA 1.675 57.780 56.100 0.008 0.000 0.959 566 R CB -0.252 30.053 30.300 0.008 0.000 0.856 566 R HN 0.248 nan 8.270 nan 0.000 0.437 567 A N 0.874 123.704 122.820 0.017 0.000 1.902 567 A HA -0.111 4.209 4.320 0.001 0.000 0.217 567 A C 2.191 179.797 177.584 0.036 0.000 1.181 567 A CA 1.115 53.166 52.037 0.023 0.000 0.623 567 A CB -0.477 18.533 19.000 0.017 0.000 0.818 567 A HN 0.342 nan 8.150 nan 0.000 0.443 568 L N -0.995 120.248 121.223 0.033 0.000 2.046 568 L HA -0.264 4.077 4.340 0.001 0.000 0.208 568 L C 2.882 179.798 176.870 0.077 0.000 1.077 568 L CA 1.659 56.529 54.840 0.049 0.000 0.747 568 L CB -0.543 41.534 42.059 0.029 0.000 0.896 568 L HN 0.473 nan 8.230 nan 0.000 0.432 569 Q N -0.310 119.521 119.800 0.051 0.000 2.079 569 Q HA -0.205 4.135 4.340 0.001 0.000 0.200 569 Q C 2.120 178.186 176.000 0.111 0.000 0.974 569 Q CA 1.395 57.236 55.803 0.063 0.000 0.840 569 Q CB -0.023 28.726 28.738 0.019 0.000 0.898 569 Q HN 0.492 nan 8.270 nan 0.000 0.430 570 E N 0.379 120.626 120.200 0.079 0.000 2.106 570 E HA -0.172 4.179 4.350 0.001 0.000 0.192 570 E C 1.944 178.598 176.600 0.089 0.000 0.984 570 E CA 0.880 57.325 56.400 0.074 0.000 0.806 570 E CB -0.095 29.633 29.700 0.046 0.000 0.750 570 E HN 0.359 nan 8.360 nan 0.000 0.458 571 A N 0.635 123.512 122.820 0.094 0.000 1.898 571 A HA -0.204 4.116 4.320 0.001 0.000 0.216 571 A C 2.003 179.662 177.584 0.125 0.000 1.181 571 A CA 1.219 53.306 52.037 0.084 0.000 0.620 571 A CB -0.711 18.333 19.000 0.074 0.000 0.819 571 A HN 0.393 nan 8.150 nan 0.000 0.442 572 Y N 1.394 121.736 120.300 0.071 0.000 2.145 572 Y HA -0.230 4.320 4.550 0.001 0.000 0.286 572 Y C 2.214 178.222 175.900 0.180 0.000 1.145 572 Y CA 2.141 60.331 58.100 0.149 0.000 1.148 572 Y CB -0.211 38.313 38.460 0.107 0.000 0.981 572 Y HN 0.328 nan 8.280 nan 0.000 0.507 573 N N 0.371 119.246 118.700 0.292 0.000 2.120 573 N HA -0.183 4.557 4.740 0.001 0.000 0.188 573 N C 1.785 177.332 175.510 0.061 0.000 1.024 573 N CA 1.427 54.586 53.050 0.181 0.000 0.852 573 N CB -0.729 37.846 38.487 0.147 0.000 1.003 573 N HN 0.398 nan 8.380 nan 0.000 0.424 574 L N 1.422 122.664 121.223 0.032 0.000 2.141 574 L HA -0.083 4.257 4.340 0.001 0.000 0.209 574 L C 2.058 178.878 176.870 -0.082 0.000 1.094 574 L CA 1.654 56.486 54.840 -0.014 0.000 0.763 574 L CB -0.572 41.484 42.059 -0.005 0.000 0.908 574 L HN 0.052 nan 8.230 nan 0.000 0.437 575 E N -1.399 118.710 120.200 -0.153 0.000 2.107 575 E HA -0.162 4.188 4.350 0.001 0.000 0.191 575 E C 1.696 177.985 176.600 -0.518 0.000 0.982 575 E CA 1.294 57.490 56.400 -0.341 0.000 0.809 575 E CB -0.067 29.366 29.700 -0.444 0.000 0.756 575 E HN 0.615 nan 8.360 nan 0.000 0.459 576 H N -1.458 117.465 119.070 -0.246 0.000 2.586 576 H HA 0.281 4.838 4.556 0.001 0.000 0.273 576 H C 0.745 176.013 175.328 -0.100 0.000 0.997 576 H CA 0.552 56.472 56.048 -0.214 0.000 1.177 576 H CB 0.846 30.390 29.762 -0.364 0.000 1.471 576 H HN 0.295 nan 8.280 nan 0.000 0.538 577 G N 1.879 110.676 108.800 -0.005 0.000 2.221 577 G HA2 -0.271 3.689 3.960 0.001 0.000 0.265 577 G HA3 -0.271 3.689 3.960 0.001 0.000 0.265 577 G C 0.021 174.942 174.900 0.036 0.000 1.041 577 G CA 0.115 45.221 45.100 0.009 0.000 0.807 577 G HN 0.331 nan 8.290 nan 0.000 0.502 578 I N 0.588 121.194 120.570 0.059 0.000 2.392 578 I HA 0.480 4.650 4.170 0.001 0.000 0.295 578 I C 0.263 176.414 176.117 0.056 0.000 0.985 578 I CA -0.513 60.828 61.300 0.069 0.000 1.221 578 I CB 2.018 40.087 38.000 0.115 0.000 1.366 578 I HN 0.034 nan 8.210 nan 0.000 0.467 579 T N 6.186 120.765 114.554 0.042 0.000 2.809 579 T HA 0.398 4.749 4.350 0.001 0.000 0.284 579 T C -2.337 172.381 174.700 0.030 0.000 0.992 579 T CA -1.178 60.942 62.100 0.033 0.000 0.957 579 T CB 1.514 70.395 68.868 0.023 0.000 0.942 579 T HN 0.282 nan 8.240 nan 0.000 0.439 580 P HA 0.218 nan 4.420 nan 0.000 0.268 580 P C -0.484 176.824 177.300 0.013 0.000 1.208 580 P CA -0.182 62.931 63.100 0.021 0.000 0.777 580 P CB 0.425 32.136 31.700 0.019 0.000 0.875 581 E N -0.718 119.486 120.200 0.008 0.000 2.352 581 E HA 0.419 4.769 4.350 0.001 0.000 0.280 581 E C -1.358 175.240 176.600 -0.004 0.000 0.930 581 E CA -0.953 55.449 56.400 0.002 0.000 0.765 581 E CB 0.948 30.649 29.700 0.003 0.000 1.219 581 E HN 0.087 nan 8.360 nan 0.000 0.434 582 T N 1.808 116.357 114.554 -0.008 0.000 2.832 582 T HA 0.497 4.847 4.350 0.001 0.000 0.296 582 T C 0.597 175.287 174.700 -0.016 0.000 0.968 582 T CA -0.075 62.016 62.100 -0.014 0.000 1.107 582 T CB 0.967 69.824 68.868 -0.017 0.000 0.916 582 T HN 0.544 nan 8.240 nan 0.000 0.517 583 V N 0.000 119.903 119.914 -0.019 0.000 2.409 583 V HA 0.000 4.120 4.120 0.001 0.000 0.244 583 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 583 V CB 0.000 31.811 31.823 -0.021 0.000 1.184 583 V HN 0.000 nan 8.190 nan 0.000 0.556