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 3nl2_1_F DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGXTL VQIRXXXADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVXXDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PXXXXXXXXX DATA SEQUENCE XXMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NXVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYXXTETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXXXSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.412 176.600 -0.314 0.000 0.988 2 K CA 0.000 56.180 56.287 -0.178 0.000 0.838 2 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 3 F N 1.540 121.473 119.950 -0.028 0.000 2.432 3 F HA 0.672 5.199 4.527 0.001 0.000 0.329 3 F C 1.391 177.264 175.800 0.122 0.000 1.076 3 F CA -0.378 57.606 58.000 -0.027 0.000 1.018 3 F CB 2.518 41.394 39.000 -0.206 0.000 1.201 3 F HN 0.603 nan 8.300 nan 0.000 0.489 4 S N 0.767 116.649 115.700 0.303 0.000 2.585 4 S HA 0.312 4.783 4.470 0.001 0.000 0.277 4 S C 0.702 175.523 174.600 0.369 0.000 1.241 4 S CA -0.913 57.444 58.200 0.262 0.000 1.041 4 S CB 1.461 64.753 63.200 0.154 0.000 0.987 4 S HN 0.717 nan 8.310 nan 0.000 0.512 5 K N 0.966 121.526 120.400 0.266 0.000 2.242 5 K HA -0.215 4.106 4.320 0.001 0.000 0.206 5 K C 1.253 178.015 176.600 0.271 0.000 1.045 5 K CA 2.115 58.519 56.287 0.195 0.000 0.930 5 K CB -0.216 32.339 32.500 0.091 0.000 0.726 5 K HN 0.665 nan 8.250 nan 0.000 0.462 6 E N 0.239 120.583 120.200 0.240 0.000 2.385 6 E HA -0.037 4.314 4.350 0.001 0.000 0.194 6 E C 1.195 177.901 176.600 0.177 0.000 1.013 6 E CA 0.416 56.934 56.400 0.196 0.000 0.866 6 E CB 0.272 30.059 29.700 0.145 0.000 0.832 6 E HN 0.267 nan 8.360 nan 0.000 0.500 7 Q N -0.395 119.525 119.800 0.199 0.000 2.482 7 Q HA 0.057 4.398 4.340 0.001 0.000 0.209 7 Q C -0.462 175.495 176.000 -0.072 0.000 0.961 7 Q CA 0.024 55.886 55.803 0.100 0.000 0.945 7 Q CB 0.098 28.942 28.738 0.177 0.000 1.012 7 Q HN 0.201 nan 8.270 nan 0.000 0.515 8 F N 1.638 121.469 119.950 -0.199 0.000 2.466 8 F HA 0.034 4.562 4.527 0.001 0.000 0.363 8 F C 0.429 175.889 175.800 -0.566 0.000 1.109 8 F CA -0.583 57.111 58.000 -0.509 0.000 1.161 8 F CB 0.529 39.142 39.000 -0.645 0.000 1.117 8 F HN -0.149 nan 8.300 nan 0.000 0.539 9 D N 4.027 124.154 120.400 -0.455 0.000 2.428 9 D HA 0.075 4.715 4.640 0.001 0.000 0.221 9 D C 0.210 176.307 176.300 -0.339 0.000 1.123 9 D CA -0.141 53.687 54.000 -0.286 0.000 0.869 9 D CB 0.198 40.878 40.800 -0.200 0.000 1.032 9 D HN 0.423 nan 8.370 nan 0.000 0.506 10 Y N 1.696 121.940 120.300 -0.093 0.000 2.529 10 Y HA -0.031 4.520 4.550 0.001 0.000 0.290 10 Y C 2.380 178.251 175.900 -0.048 0.000 1.177 10 Y CA -0.150 57.871 58.100 -0.131 0.000 1.305 10 Y CB 0.081 38.467 38.460 -0.124 0.000 1.047 10 Y HN 0.292 nan 8.280 nan 0.000 0.522 11 S N 0.654 116.396 115.700 0.070 0.000 2.452 11 S HA -0.241 4.230 4.470 0.001 0.000 0.253 11 S C 0.642 175.285 174.600 0.073 0.000 1.061 11 S CA 1.436 59.674 58.200 0.064 0.000 1.273 11 S CB -0.577 62.638 63.200 0.025 0.000 1.191 11 S HN 0.270 nan 8.310 nan 0.000 0.430 12 L N 1.402 122.654 121.223 0.049 0.000 2.356 12 L HA 0.415 4.756 4.340 0.001 0.000 0.264 12 L C -1.376 175.558 176.870 0.106 0.000 1.029 12 L CA -0.579 54.297 54.840 0.062 0.000 0.897 12 L CB 0.628 42.702 42.059 0.026 0.000 1.256 12 L HN 0.291 nan 8.230 nan 0.000 0.444 13 Y N 5.532 125.822 120.300 -0.017 0.000 2.477 13 Y HA 0.389 4.940 4.550 0.001 0.000 0.349 13 Y C -0.835 175.046 175.900 -0.032 0.000 0.977 13 Y CA -1.324 56.764 58.100 -0.019 0.000 1.214 13 Y CB 1.180 39.650 38.460 0.017 0.000 1.124 13 Y HN 0.579 nan 8.280 nan 0.000 0.521 14 L N 7.932 129.306 121.223 0.250 0.000 2.268 14 L HA 0.393 4.734 4.340 0.001 0.000 0.289 14 L C -1.097 175.782 176.870 0.014 0.000 1.064 14 L CA -0.189 54.687 54.840 0.059 0.000 0.824 14 L CB 0.339 42.413 42.059 0.025 0.000 1.202 14 L HN 0.342 nan 8.230 nan 0.000 0.433 15 V N 4.530 124.361 119.914 -0.138 0.000 2.385 15 V HA 0.298 4.419 4.120 0.001 0.000 0.269 15 V C 0.772 176.812 176.094 -0.090 0.000 1.043 15 V CA -0.213 61.987 62.300 -0.167 0.000 0.906 15 V CB 0.906 32.551 31.823 -0.298 0.000 0.995 15 V HN 0.878 nan 8.190 nan 0.000 0.467 16 T N 0.941 115.467 114.554 -0.046 0.000 2.897 16 T HA 0.354 4.705 4.350 0.001 0.000 0.294 16 T C -0.417 174.256 174.700 -0.045 0.000 1.004 16 T CA -0.628 61.450 62.100 -0.036 0.000 1.106 16 T CB 1.418 70.275 68.868 -0.019 0.000 0.949 16 T HN 0.622 nan 8.240 nan 0.000 0.520 17 D N 2.018 122.395 120.400 -0.039 0.000 2.375 17 D HA 0.258 4.899 4.640 0.001 0.000 0.259 17 D C 1.099 177.383 176.300 -0.026 0.000 1.235 17 D CA -0.461 53.516 54.000 -0.038 0.000 0.924 17 D CB 1.490 42.269 40.800 -0.034 0.000 1.143 17 D HN 0.540 nan 8.370 nan 0.000 0.529 18 S N 2.048 117.730 115.700 -0.031 0.000 2.380 18 S HA -0.135 4.335 4.470 0.001 0.000 0.229 18 S C 1.594 176.196 174.600 0.003 0.000 1.043 18 S CA 1.664 59.860 58.200 -0.007 0.000 1.038 18 S CB -0.181 63.016 63.200 -0.006 0.000 0.872 18 S HN 0.583 nan 8.310 nan 0.000 0.456 19 G N 1.429 110.224 108.800 -0.007 0.000 3.455 19 G HA2 0.413 4.374 3.960 0.001 0.000 0.250 19 G HA3 0.413 4.374 3.960 0.001 0.000 0.250 19 G C 0.268 175.167 174.900 -0.003 0.000 1.071 19 G CA 0.058 45.156 45.100 -0.004 0.000 1.812 19 G HN 0.699 nan 8.290 nan 0.000 0.643 20 M N -1.613 117.987 119.600 0.000 0.000 5.540 20 M HA 0.353 4.834 4.480 0.001 0.000 0.662 20 M C -1.161 175.141 176.300 0.005 0.000 2.370 20 M CA -0.350 54.951 55.300 0.001 0.000 0.329 20 M CB -0.399 32.200 32.600 -0.000 0.000 1.452 20 M HN -0.124 nan 8.290 nan 0.000 0.702 21 I N 3.200 123.775 120.570 0.009 0.000 2.474 21 I HA 0.426 4.597 4.170 0.001 0.000 0.287 21 I C -1.903 174.221 176.117 0.011 0.000 1.048 21 I CA -1.664 59.644 61.300 0.013 0.000 1.383 21 I CB 0.764 38.778 38.000 0.022 0.000 1.412 21 I HN 0.123 nan 8.210 nan 0.000 0.531 22 P HA 0.106 nan 4.420 nan 0.000 0.271 22 P C -0.618 176.688 177.300 0.011 0.000 1.218 22 P CA -0.384 62.721 63.100 0.009 0.000 0.780 22 P CB 0.407 32.112 31.700 0.008 0.000 0.901 23 E N 0.963 121.168 120.200 0.008 0.000 2.437 23 E HA 0.187 4.537 4.350 0.001 0.000 0.263 23 E C 1.131 177.738 176.600 0.012 0.000 1.030 23 E CA 0.891 57.297 56.400 0.009 0.000 0.934 23 E CB -0.132 29.570 29.700 0.005 0.000 0.943 23 E HN 0.809 nan 8.360 nan 0.000 0.444 24 G N 2.392 111.201 108.800 0.014 0.000 2.162 24 G HA2 -0.314 3.647 3.960 0.001 0.000 0.260 24 G HA3 -0.314 3.647 3.960 0.001 0.000 0.260 24 G C 0.004 174.918 174.900 0.023 0.000 0.976 24 G CA 0.488 45.597 45.100 0.017 0.000 0.655 24 G HN 0.412 nan 8.290 nan 0.000 0.533 25 K N 0.468 120.884 120.400 0.027 0.000 2.422 25 K HA 0.625 4.946 4.320 0.001 0.000 0.251 25 K C 0.276 176.904 176.600 0.046 0.000 0.933 25 K CA -0.198 56.110 56.287 0.036 0.000 0.798 25 K CB 1.908 34.425 32.500 0.028 0.000 1.238 25 K HN 0.238 nan 8.250 nan 0.000 0.428 26 T N -0.933 113.661 114.554 0.065 0.000 2.923 26 T HA 0.235 4.585 4.350 0.001 0.000 0.281 26 T C 0.898 175.650 174.700 0.087 0.000 0.995 26 T CA -0.873 61.280 62.100 0.087 0.000 0.985 26 T CB 0.925 69.864 68.868 0.119 0.000 1.114 26 T HN 0.383 nan 8.240 nan 0.000 0.548 27 L N -0.259 121.023 121.223 0.099 0.000 2.109 27 L HA 0.114 4.455 4.340 0.001 0.000 0.207 27 L C 2.243 179.162 176.870 0.081 0.000 1.086 27 L CA 1.477 56.361 54.840 0.073 0.000 0.760 27 L CB -1.196 40.904 42.059 0.068 0.000 0.910 27 L HN 0.810 nan 8.230 nan 0.000 0.437 28 Y N -0.003 120.304 120.300 0.012 0.000 2.145 28 Y HA -0.156 4.394 4.550 0.001 0.000 0.286 28 Y C 2.324 178.226 175.900 0.002 0.000 1.145 28 Y CA 1.950 60.054 58.100 0.006 0.000 1.148 28 Y CB -0.696 37.773 38.460 0.016 0.000 0.981 28 Y HN 0.230 nan 8.280 nan 0.000 0.507 29 G N -0.338 108.582 108.800 0.201 0.000 2.491 29 G HA2 -0.284 3.676 3.960 0.001 0.000 0.218 29 G HA3 -0.284 3.676 3.960 0.001 0.000 0.218 29 G C 1.445 176.357 174.900 0.020 0.000 1.180 29 G CA 1.116 46.286 45.100 0.116 0.000 0.774 29 G HN 0.329 nan 8.290 nan 0.000 0.562 30 Q N 0.177 119.981 119.800 0.006 0.000 1.993 30 Q HA -0.038 4.302 4.340 0.001 0.000 0.202 30 Q C 3.006 178.963 176.000 -0.071 0.000 0.984 30 Q CA 1.175 56.964 55.803 -0.022 0.000 0.837 30 Q CB -1.211 27.520 28.738 -0.011 0.000 0.902 30 Q HN 0.359 nan 8.270 nan 0.000 0.423 31 V N 1.623 121.476 119.914 -0.101 0.000 2.688 31 V HA -0.245 3.875 4.120 0.001 0.000 0.256 31 V C 2.286 178.233 176.094 -0.245 0.000 1.084 31 V CA 1.962 64.169 62.300 -0.155 0.000 1.103 31 V CB -0.582 31.145 31.823 -0.159 0.000 0.688 31 V HN 0.435 nan 8.190 nan 0.000 0.480 32 E N 0.565 120.598 120.200 -0.278 0.000 2.016 32 E HA -0.168 4.183 4.350 0.001 0.000 0.190 32 E C 2.317 178.804 176.600 -0.188 0.000 0.985 32 E CA 1.195 57.415 56.400 -0.300 0.000 0.802 32 E CB -0.316 29.247 29.700 -0.229 0.000 0.762 32 E HN 0.491 nan 8.360 nan 0.000 0.448 33 A N 0.919 123.680 122.820 -0.099 0.000 1.903 33 A HA -0.198 4.122 4.320 0.001 0.000 0.219 33 A C 2.465 180.007 177.584 -0.071 0.000 1.191 33 A CA 2.122 54.126 52.037 -0.055 0.000 0.638 33 A CB -1.599 17.385 19.000 -0.027 0.000 0.823 33 A HN 0.493 nan 8.150 nan 0.000 0.451 34 G N -0.924 107.823 108.800 -0.088 0.000 2.470 34 G HA2 -0.056 3.905 3.960 0.001 0.000 0.220 34 G HA3 -0.056 3.905 3.960 0.001 0.000 0.220 34 G C 1.482 176.318 174.900 -0.107 0.000 1.121 34 G CA 0.970 46.022 45.100 -0.079 0.000 0.766 34 G HN 0.454 nan 8.290 nan 0.000 0.553 35 L N -0.665 120.443 121.223 -0.191 0.000 2.162 35 L HA 0.036 4.376 4.340 0.001 0.000 0.205 35 L C 2.986 179.778 176.870 -0.129 0.000 1.086 35 L CA 0.629 55.311 54.840 -0.264 0.000 0.778 35 L CB -0.203 41.475 42.059 -0.635 0.000 0.928 35 L HN 0.214 nan 8.230 nan 0.000 0.446 36 Q N -0.152 119.603 119.800 -0.076 0.000 2.369 36 Q HA -0.056 4.285 4.340 0.001 0.000 0.206 36 Q C 0.857 176.877 176.000 0.033 0.000 0.963 36 Q CA 0.791 56.631 55.803 0.061 0.000 0.894 36 Q CB 0.148 28.930 28.738 0.073 0.000 0.965 36 Q HN 0.544 nan 8.270 nan 0.000 0.475 37 N N -0.617 118.082 118.700 -0.001 0.000 2.197 37 N HA 0.201 4.942 4.740 0.001 0.000 0.228 37 N C 0.044 175.552 175.510 -0.003 0.000 1.212 37 N CA 0.477 53.529 53.050 0.002 0.000 0.883 37 N CB 2.034 40.520 38.487 -0.002 0.000 1.107 37 N HN 0.130 nan 8.380 nan 0.000 0.519 41 L N 1.174 122.284 121.223 -0.188 0.000 2.643 41 L HA 0.783 5.124 4.340 0.001 0.000 0.257 41 L C -2.005 174.845 176.870 -0.033 0.000 0.922 41 L CA -0.547 54.130 54.840 -0.271 0.000 0.909 41 L CB 2.248 43.963 42.059 -0.575 0.000 1.424 41 L HN 0.114 nan 8.230 nan 0.000 0.422 42 V N 3.964 123.881 119.914 0.004 0.000 2.588 42 V HA 0.604 4.725 4.120 0.001 0.000 0.304 42 V C -0.684 175.546 176.094 0.226 0.000 1.042 42 V CA -0.484 61.892 62.300 0.127 0.000 0.877 42 V CB 1.810 33.648 31.823 0.025 0.000 0.996 42 V HN 0.831 nan 8.190 nan 0.000 0.425 43 Q N 4.361 124.337 119.800 0.292 0.000 2.333 43 Q HA 0.678 5.018 4.340 0.001 0.000 0.267 43 Q C -1.571 174.506 176.000 0.129 0.000 1.012 43 Q CA -0.621 55.335 55.803 0.256 0.000 0.824 43 Q CB 2.002 30.899 28.738 0.265 0.000 1.290 43 Q HN 0.743 nan 8.270 nan 0.000 0.449 44 I N 3.673 124.332 120.570 0.147 0.000 2.359 44 I HA 0.444 4.614 4.170 0.001 0.000 0.294 44 I C 0.140 176.329 176.117 0.119 0.000 0.987 44 I CA -0.570 60.800 61.300 0.118 0.000 1.225 44 I CB 1.528 39.639 38.000 0.185 0.000 1.366 44 I HN 0.636 nan 8.210 nan 0.000 0.466 50 D N 1.618 122.137 120.400 0.199 0.000 2.317 50 D HA 0.359 5.000 4.640 0.001 0.000 0.252 50 D C 1.445 177.908 176.300 0.270 0.000 1.174 50 D CA 0.913 55.031 54.000 0.197 0.000 0.866 50 D CB 1.481 42.381 40.800 0.167 0.000 1.127 50 D HN 0.700 nan 8.370 nan 0.000 0.467 51 T N 0.335 115.027 114.554 0.230 0.000 3.118 51 T HA -0.181 4.170 4.350 0.001 0.000 0.269 51 T C 1.198 176.009 174.700 0.184 0.000 1.166 51 T CA 1.108 63.364 62.100 0.260 0.000 1.073 51 T CB 0.056 69.027 68.868 0.171 0.000 0.884 51 T HN 0.371 nan 8.240 nan 0.000 0.550 52 K N -1.056 119.458 120.400 0.189 0.000 2.329 52 K HA 0.145 4.466 4.320 0.001 0.000 0.198 52 K C 1.752 178.463 176.600 0.185 0.000 1.085 52 K CA 0.034 56.406 56.287 0.141 0.000 0.961 52 K CB -0.204 32.365 32.500 0.115 0.000 0.971 52 K HN 0.317 nan 8.250 nan 0.000 0.502 53 F N 1.564 121.584 119.950 0.116 0.000 2.186 53 F HA -0.130 4.398 4.527 0.001 0.000 0.299 53 F C 1.780 177.691 175.800 0.186 0.000 1.090 53 F CA 0.913 58.980 58.000 0.112 0.000 1.307 53 F CB -0.385 38.662 39.000 0.077 0.000 1.019 53 F HN 0.041 nan 8.300 nan 0.000 0.489 54 F N 1.764 121.632 119.950 -0.137 0.000 2.045 54 F HA -0.301 4.227 4.527 0.001 0.000 0.297 54 F C 2.177 177.850 175.800 -0.210 0.000 1.114 54 F CA 1.894 59.777 58.000 -0.195 0.000 1.207 54 F CB -1.155 37.833 39.000 -0.020 0.000 0.964 54 F HN 0.055 nan 8.300 nan 0.000 0.486 55 I N -0.233 120.368 120.570 0.053 0.000 2.454 55 I HA -0.257 3.913 4.170 0.001 0.000 0.254 55 I C 2.064 178.147 176.117 -0.056 0.000 1.156 55 I CA 1.400 62.651 61.300 -0.082 0.000 1.433 55 I CB -0.580 37.371 38.000 -0.083 0.000 1.082 55 I HN 0.273 nan 8.210 nan 0.000 0.432 56 E N 0.515 120.671 120.200 -0.074 0.000 2.170 56 E HA -0.180 4.171 4.350 0.001 0.000 0.191 56 E C 2.019 178.552 176.600 -0.112 0.000 0.981 56 E CA 0.550 56.906 56.400 -0.072 0.000 0.830 56 E CB 0.071 29.754 29.700 -0.029 0.000 0.775 56 E HN 0.416 nan 8.360 nan 0.000 0.470 57 E N 0.528 120.585 120.200 -0.238 0.000 2.107 57 E HA -0.129 4.221 4.350 0.001 0.000 0.191 57 E C 1.984 178.568 176.600 -0.027 0.000 0.982 57 E CA 0.767 57.054 56.400 -0.189 0.000 0.809 57 E CB 0.037 29.508 29.700 -0.382 0.000 0.756 57 E HN 0.205 nan 8.360 nan 0.000 0.459 58 A N 0.874 123.706 122.820 0.021 0.000 1.898 58 A HA -0.121 4.199 4.320 0.001 0.000 0.216 58 A C 2.129 179.712 177.584 -0.002 0.000 1.181 58 A CA 0.847 52.913 52.037 0.048 0.000 0.620 58 A CB -0.526 18.489 19.000 0.025 0.000 0.819 58 A HN 0.253 nan 8.150 nan 0.000 0.442 59 L N -0.904 120.307 121.223 -0.019 0.000 2.093 59 L HA -0.197 4.144 4.340 0.001 0.000 0.208 59 L C 2.882 179.755 176.870 0.006 0.000 1.085 59 L CA 1.613 56.440 54.840 -0.020 0.000 0.755 59 L CB -0.419 41.629 42.059 -0.019 0.000 0.904 59 L HN 0.589 nan 8.230 nan 0.000 0.435 60 Q N 0.362 120.178 119.800 0.028 0.000 2.167 60 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 60 Q C 2.193 178.299 176.000 0.177 0.000 0.970 60 Q CA 1.367 57.220 55.803 0.083 0.000 0.855 60 Q CB 0.152 28.928 28.738 0.063 0.000 0.911 60 Q HN 0.550 nan 8.270 nan 0.000 0.438 61 I N 0.060 120.696 120.570 0.110 0.000 2.852 61 I HA -0.131 4.040 4.170 0.001 0.000 0.264 61 I C 2.320 178.432 176.117 -0.009 0.000 1.179 61 I CA 0.409 61.747 61.300 0.064 0.000 1.480 61 I CB -0.070 37.948 38.000 0.030 0.000 1.111 61 I HN 0.136 nan 8.210 nan 0.000 0.441 62 K N 1.239 121.611 120.400 -0.046 0.000 2.211 62 K HA -0.167 4.154 4.320 0.001 0.000 0.203 62 K C 1.764 178.248 176.600 -0.194 0.000 1.050 62 K CA 1.192 57.368 56.287 -0.185 0.000 0.945 62 K CB 0.163 32.520 32.500 -0.240 0.000 0.732 62 K HN 0.317 nan 8.250 nan 0.000 0.451 63 E N 0.746 120.925 120.200 -0.034 0.000 2.072 63 E HA -0.167 4.184 4.350 0.001 0.000 0.191 63 E C 2.036 178.706 176.600 0.118 0.000 0.985 63 E CA 0.702 57.136 56.400 0.057 0.000 0.801 63 E CB 0.009 29.765 29.700 0.094 0.000 0.750 63 E HN 0.283 nan 8.360 nan 0.000 0.452 64 L N 0.554 121.845 121.223 0.114 0.000 1.994 64 L HA -0.239 4.101 4.340 0.001 0.000 0.208 64 L C 2.405 179.336 176.870 0.101 0.000 1.071 64 L CA 1.323 56.206 54.840 0.072 0.000 0.745 64 L CB -0.252 41.668 42.059 -0.232 0.000 0.892 64 L HN 0.351 nan 8.230 nan 0.000 0.431 65 C N -0.665 118.655 119.300 0.033 0.000 2.442 65 C HA -0.195 4.266 4.460 0.001 0.000 0.279 65 C C 2.585 177.723 174.990 0.248 0.000 1.237 65 C CA 0.640 59.704 59.018 0.076 0.000 1.722 65 C CB -1.372 26.385 27.740 0.028 0.000 2.056 65 C HN 0.588 nan 8.230 nan 0.000 0.469 66 H N 0.916 120.055 119.070 0.115 0.000 2.431 66 H HA -0.119 4.437 4.556 0.001 0.000 0.297 66 H C 2.285 177.671 175.328 0.097 0.000 1.115 66 H CA 1.834 57.955 56.048 0.122 0.000 1.277 66 H CB -0.750 29.058 29.762 0.077 0.000 1.372 66 H HN 0.526 nan 8.280 nan 0.000 0.516 67 A N -0.072 122.891 122.820 0.239 0.000 2.015 67 A HA -0.149 4.171 4.320 0.001 0.000 0.219 67 A C 1.277 178.882 177.584 0.034 0.000 1.163 67 A CA 1.415 53.528 52.037 0.127 0.000 0.646 67 A CB -0.348 18.734 19.000 0.136 0.000 0.806 67 A HN 0.467 nan 8.150 nan 0.000 0.448 68 H N -1.684 117.417 119.070 0.050 0.000 2.517 68 H HA 0.196 4.753 4.556 0.001 0.000 0.282 68 H C 0.614 175.966 175.328 0.039 0.000 1.023 68 H CA 0.250 56.313 56.048 0.025 0.000 1.169 68 H CB -0.036 29.725 29.762 -0.002 0.000 1.454 68 H HN 0.542 nan 8.280 nan 0.000 0.556 69 N N 0.072 118.876 118.700 0.173 0.000 2.725 69 N HA -0.188 4.553 4.740 0.001 0.000 0.249 69 N C -0.802 174.856 175.510 0.246 0.000 1.103 69 N CA 0.782 53.953 53.050 0.202 0.000 0.707 69 N CB -1.083 37.465 38.487 0.103 0.000 1.043 69 N HN 0.280 nan 8.380 nan 0.000 0.553 70 V N -0.565 119.437 119.914 0.147 0.000 2.459 70 V HA 0.794 4.914 4.120 0.001 0.000 0.295 70 V C -2.256 173.732 176.094 -0.177 0.000 1.029 70 V CA -1.842 60.371 62.300 -0.145 0.000 0.874 70 V CB 1.740 33.488 31.823 -0.125 0.000 0.985 70 V HN 0.003 nan 8.190 nan 0.000 0.438 71 P HA 0.294 nan 4.420 nan 0.000 0.272 71 P C -1.203 176.030 177.300 -0.113 0.000 1.240 71 P CA -0.214 62.592 63.100 -0.490 0.000 0.791 71 P CB 0.571 31.591 31.700 -1.135 0.000 0.978 72 L N 2.398 123.660 121.223 0.066 0.000 2.341 72 L HA 0.540 4.881 4.340 0.001 0.000 0.278 72 L C -1.026 175.935 176.870 0.152 0.000 1.005 72 L CA -0.293 54.593 54.840 0.078 0.000 0.818 72 L CB 0.741 42.822 42.059 0.036 0.000 1.259 72 L HN 0.237 nan 8.230 nan 0.000 0.418 73 I N 5.187 125.870 120.570 0.189 0.000 2.693 73 I HA 0.487 4.657 4.170 0.001 0.000 0.303 73 I C -0.818 175.448 176.117 0.249 0.000 1.025 73 I CA -0.747 60.710 61.300 0.262 0.000 1.086 73 I CB 2.250 40.473 38.000 0.372 0.000 1.268 73 I HN 0.508 nan 8.210 nan 0.000 0.440 74 I N 3.966 124.684 120.570 0.245 0.000 2.533 74 I HA 0.295 4.466 4.170 0.001 0.000 0.290 74 I C -0.617 175.651 176.117 0.252 0.000 1.056 74 I CA -0.312 61.127 61.300 0.232 0.000 1.057 74 I CB 2.079 40.168 38.000 0.149 0.000 1.240 74 I HN 0.553 nan 8.210 nan 0.000 0.423 75 N N 4.214 123.075 118.700 0.269 0.000 2.354 75 N HA 0.351 5.092 4.740 0.001 0.000 0.287 75 N C -1.377 174.282 175.510 0.249 0.000 1.016 75 N CA -0.554 52.642 53.050 0.244 0.000 0.871 75 N CB 1.349 39.948 38.487 0.187 0.000 1.299 75 N HN 0.663 nan 8.380 nan 0.000 0.482 76 D N 1.921 122.449 120.400 0.214 0.000 2.891 76 D HA 0.163 4.804 4.640 0.001 0.000 0.332 76 D C -0.533 175.851 176.300 0.140 0.000 1.369 76 D CA -0.380 53.727 54.000 0.178 0.000 0.827 76 D CB 0.243 41.139 40.800 0.160 0.000 1.141 76 D HN 0.232 nan 8.370 nan 0.000 0.464 77 R N 0.854 121.439 120.500 0.141 0.000 2.391 77 R HA 0.293 4.634 4.340 0.001 0.000 0.310 77 R C 0.439 176.753 176.300 0.022 0.000 1.174 77 R CA -0.517 55.627 56.100 0.074 0.000 1.118 77 R CB 0.500 30.834 30.300 0.056 0.000 1.134 77 R HN 0.133 nan 8.270 nan 0.000 0.524 78 I N 1.934 122.524 120.570 0.033 0.000 2.194 78 I HA -0.383 3.788 4.170 0.001 0.000 0.246 78 I C 1.983 178.096 176.117 -0.007 0.000 1.093 78 I CA 1.708 63.019 61.300 0.019 0.000 1.355 78 I CB -0.307 37.703 38.000 0.017 0.000 1.046 78 I HN 0.563 nan 8.210 nan 0.000 0.413 79 D N 0.576 120.966 120.400 -0.017 0.000 2.084 79 D HA -0.152 4.489 4.640 0.001 0.000 0.194 79 D C 2.101 178.358 176.300 -0.072 0.000 0.990 79 D CA 1.468 55.448 54.000 -0.033 0.000 0.826 79 D CB -1.204 39.581 40.800 -0.023 0.000 0.971 79 D HN 0.231 nan 8.370 nan 0.000 0.453 80 V N 1.046 120.881 119.914 -0.132 0.000 2.469 80 V HA -0.226 3.895 4.120 0.001 0.000 0.251 80 V C 2.709 178.700 176.094 -0.172 0.000 1.064 80 V CA 1.864 64.019 62.300 -0.241 0.000 1.066 80 V CB -1.077 30.418 31.823 -0.548 0.000 0.667 80 V HN 0.441 nan 8.190 nan 0.000 0.461 81 A N -0.484 122.277 122.820 -0.099 0.000 1.840 81 A HA -0.183 4.137 4.320 0.001 0.000 0.214 81 A C 2.246 179.823 177.584 -0.011 0.000 1.198 81 A CA 2.011 54.028 52.037 -0.032 0.000 0.608 81 A CB -0.488 18.523 19.000 0.018 0.000 0.839 81 A HN 0.440 nan 8.150 nan 0.000 0.443 82 M N -0.280 119.315 119.600 -0.009 0.000 2.106 82 M HA -0.227 4.253 4.480 0.001 0.000 0.259 82 M C 2.497 178.792 176.300 -0.009 0.000 1.068 82 M CA 1.619 56.919 55.300 -0.001 0.000 1.100 82 M CB -0.461 32.137 32.600 -0.003 0.000 1.351 82 M HN 0.516 nan 8.290 nan 0.000 0.404 83 A N 0.887 123.689 122.820 -0.031 0.000 1.865 83 A HA -0.157 4.164 4.320 0.001 0.000 0.217 83 A C 1.884 179.450 177.584 -0.030 0.000 1.191 83 A CA 1.893 53.910 52.037 -0.035 0.000 0.623 83 A CB -1.020 17.946 19.000 -0.057 0.000 0.826 83 A HN 0.710 nan 8.150 nan 0.000 0.444 84 I N -3.633 116.911 120.570 -0.044 0.000 3.810 84 I HA 0.487 4.657 4.170 0.001 0.000 0.322 84 I C 0.976 177.089 176.117 -0.006 0.000 1.288 84 I CA 0.362 61.641 61.300 -0.035 0.000 1.143 84 I CB -0.553 37.409 38.000 -0.062 0.000 1.012 84 I HN 0.375 nan 8.210 nan 0.000 0.423 85 G N 1.889 110.698 108.800 0.015 0.000 2.350 85 G HA2 -0.167 3.793 3.960 0.001 0.000 0.298 85 G HA3 -0.167 3.793 3.960 0.001 0.000 0.298 85 G C 0.312 175.262 174.900 0.082 0.000 1.037 85 G CA 0.153 45.284 45.100 0.052 0.000 1.074 85 G HN 0.973 nan 8.290 nan 0.000 0.511 86 A N -0.461 122.402 122.820 0.071 0.000 2.332 86 A HA 0.622 4.943 4.320 0.001 0.000 0.258 86 A C 1.193 178.883 177.584 0.176 0.000 1.087 86 A CA 0.338 52.437 52.037 0.104 0.000 0.802 86 A CB 0.498 19.545 19.000 0.078 0.000 1.042 86 A HN 0.283 nan 8.150 nan 0.000 0.489 87 D N 0.113 120.660 120.400 0.245 0.000 2.333 87 D HA 0.243 4.884 4.640 0.001 0.000 0.208 87 D C 0.764 177.273 176.300 0.349 0.000 0.984 87 D CA 1.570 55.779 54.000 0.349 0.000 0.873 87 D CB 0.462 41.517 40.800 0.426 0.000 0.935 87 D HN 0.738 nan 8.370 nan 0.000 0.521 88 G N 0.629 109.590 108.800 0.269 0.000 2.547 88 G HA2 0.507 4.467 3.960 0.001 0.000 0.291 88 G HA3 0.507 4.467 3.960 0.001 0.000 0.291 88 G C -1.592 173.439 174.900 0.218 0.000 1.471 88 G CA -0.820 44.417 45.100 0.229 0.000 0.798 88 G HN 0.084 nan 8.290 nan 0.000 0.504 89 I N -1.502 119.184 120.570 0.192 0.000 2.582 89 I HA 0.626 4.796 4.170 0.001 0.000 0.292 89 I C -1.373 174.872 176.117 0.214 0.000 1.066 89 I CA -1.004 60.413 61.300 0.195 0.000 1.053 89 I CB 2.634 40.704 38.000 0.117 0.000 1.241 89 I HN 0.563 nan 8.210 nan 0.000 0.421 90 H N 6.296 125.480 119.070 0.189 0.000 2.519 90 H HA 0.640 5.197 4.556 0.001 0.000 0.316 90 H C -1.176 174.233 175.328 0.135 0.000 1.065 90 H CA -0.289 55.860 56.048 0.167 0.000 1.264 90 H CB 2.017 31.928 29.762 0.249 0.000 1.413 90 H HN 0.712 nan 8.280 nan 0.000 0.465 91 V N 2.721 122.652 119.914 0.028 0.000 3.046 91 V HA 0.879 4.999 4.120 0.001 0.000 0.316 91 V C 0.164 176.362 176.094 0.173 0.000 1.104 91 V CA -0.369 62.025 62.300 0.157 0.000 1.006 91 V CB 1.659 33.567 31.823 0.141 0.000 1.058 91 V HN 0.758 nan 8.190 nan 0.000 0.440 92 G N 0.552 109.456 108.800 0.172 0.000 2.642 92 G HA2 0.448 4.409 3.960 0.001 0.000 0.291 92 G HA3 0.448 4.409 3.960 0.001 0.000 0.291 92 G C -0.001 174.927 174.900 0.047 0.000 1.345 92 G CA -0.132 45.009 45.100 0.069 0.000 1.043 92 G HN 0.819 nan 8.290 nan 0.000 0.528 93 Q N -1.008 118.733 119.800 -0.098 0.000 2.230 93 Q HA -0.008 4.332 4.340 0.001 0.000 0.202 93 Q C 1.277 177.316 176.000 0.065 0.000 0.963 93 Q CA 1.461 57.209 55.803 -0.091 0.000 0.866 93 Q CB 0.155 28.780 28.738 -0.189 0.000 0.931 93 Q HN 0.515 nan 8.270 nan 0.000 0.452 94 D N 0.144 120.575 120.400 0.052 0.000 2.339 94 D HA 0.047 4.688 4.640 0.001 0.000 0.217 94 D C -0.377 175.972 176.300 0.081 0.000 1.050 94 D CA 0.156 54.193 54.000 0.061 0.000 0.856 94 D CB 0.224 41.047 40.800 0.039 0.000 0.922 94 D HN 0.231 nan 8.370 nan 0.000 0.518 95 D N -0.065 120.402 120.400 0.112 0.000 2.539 95 D HA 0.115 4.756 4.640 0.001 0.000 0.276 95 D C 0.622 176.990 176.300 0.114 0.000 1.206 95 D CA -0.606 53.461 54.000 0.111 0.000 1.081 95 D CB 0.828 41.703 40.800 0.124 0.000 1.142 95 D HN -0.072 nan 8.370 nan 0.000 0.595 96 M N 1.225 120.876 119.600 0.085 0.000 2.261 96 M HA 0.066 4.547 4.480 0.001 0.000 0.350 96 M C -2.236 174.089 176.300 0.042 0.000 1.343 96 M CA -0.568 54.764 55.300 0.054 0.000 1.003 96 M CB 0.449 33.068 32.600 0.032 0.000 1.848 96 M HN -0.082 nan 8.290 nan 0.000 0.456 97 P HA -0.100 nan 4.420 nan 0.000 0.264 97 P C 0.546 177.786 177.300 -0.099 0.000 1.179 97 P CA -0.029 63.061 63.100 -0.017 0.000 0.763 97 P CB 0.325 32.016 31.700 -0.015 0.000 0.806 98 I N 5.390 125.824 120.570 -0.226 0.000 2.202 98 I HA -0.110 4.061 4.170 0.001 0.000 0.242 98 I C -0.585 175.410 176.117 -0.204 0.000 1.091 98 I CA 1.770 62.887 61.300 -0.305 0.000 1.368 98 I CB -2.723 34.935 38.000 -0.570 0.000 1.058 98 I HN 0.368 nan 8.210 nan 0.000 0.410 99 P HA -0.226 nan 4.420 nan 0.000 0.217 99 P C 2.018 179.262 177.300 -0.093 0.000 1.162 99 P CA 1.982 65.006 63.100 -0.127 0.000 0.901 99 P CB -0.148 31.490 31.700 -0.103 0.000 0.793 100 M N -1.612 117.943 119.600 -0.075 0.000 2.213 100 M HA -0.106 4.375 4.480 0.001 0.000 0.263 100 M C 2.357 178.627 176.300 -0.050 0.000 1.062 100 M CA 1.526 56.795 55.300 -0.051 0.000 1.105 100 M CB -0.668 31.912 32.600 -0.034 0.000 1.385 100 M HN -0.154 nan 8.290 nan 0.000 0.417 101 I N -0.732 119.800 120.570 -0.064 0.000 2.179 101 I HA -0.290 3.880 4.170 0.001 0.000 0.242 101 I C 2.637 178.720 176.117 -0.056 0.000 1.088 101 I CA 1.018 62.286 61.300 -0.054 0.000 1.357 101 I CB -0.412 37.546 38.000 -0.070 0.000 1.051 101 I HN 0.227 nan 8.210 nan 0.000 0.409 102 R N 1.732 122.184 120.500 -0.079 0.000 2.083 102 R HA -0.187 4.154 4.340 0.001 0.000 0.237 102 R C 2.155 178.422 176.300 -0.054 0.000 1.137 102 R CA 1.700 57.756 56.100 -0.074 0.000 0.951 102 R CB -0.614 29.626 30.300 -0.100 0.000 0.851 102 R HN 0.181 nan 8.270 nan 0.000 0.434 103 K N -0.047 120.321 120.400 -0.054 0.000 2.089 103 K HA -0.172 4.148 4.320 0.001 0.000 0.210 103 K C 1.935 178.517 176.600 -0.029 0.000 1.048 103 K CA 1.945 58.208 56.287 -0.041 0.000 0.926 103 K CB -0.193 32.284 32.500 -0.039 0.000 0.714 103 K HN 0.241 nan 8.250 nan 0.000 0.448 104 L N 0.629 121.836 121.223 -0.026 0.000 2.068 104 L HA -0.037 4.304 4.340 0.001 0.000 0.204 104 L C 1.526 178.389 176.870 -0.012 0.000 1.076 104 L CA 0.321 55.151 54.840 -0.016 0.000 0.753 104 L CB -0.571 41.480 42.059 -0.013 0.000 0.910 104 L HN -0.001 nan 8.230 nan 0.000 0.439 109 M N 1.912 121.548 119.600 0.060 0.000 2.436 109 M HA 0.475 4.955 4.480 0.001 0.000 0.331 109 M C -0.912 175.405 176.300 0.029 0.000 1.135 109 M CA -0.721 54.627 55.300 0.079 0.000 0.987 109 M CB 2.079 34.724 32.600 0.075 0.000 1.687 109 M HN -0.336 nan 8.290 nan 0.000 0.445 110 V N 5.658 125.577 119.914 0.009 0.000 2.555 110 V HA 0.239 4.359 4.120 0.001 0.000 0.286 110 V C -0.010 176.093 176.094 0.015 0.000 1.044 110 V CA 0.030 62.288 62.300 -0.071 0.000 1.026 110 V CB 0.964 32.580 31.823 -0.346 0.000 0.981 110 V HN 0.678 nan 8.190 nan 0.000 0.480 111 I N 4.367 124.918 120.570 -0.031 0.000 2.382 111 I HA 0.474 4.644 4.170 0.001 0.000 0.286 111 I C 0.735 176.674 176.117 -0.296 0.000 1.002 111 I CA -0.186 61.054 61.300 -0.100 0.000 1.135 111 I CB 1.564 39.486 38.000 -0.130 0.000 1.288 111 I HN 0.706 nan 8.210 nan 0.000 0.448 112 G N 5.292 113.813 108.800 -0.466 0.000 2.348 112 G HA2 0.408 4.368 3.960 0.001 0.000 0.312 112 G HA3 0.408 4.368 3.960 0.001 0.000 0.312 112 G C -1.945 172.465 174.900 -0.817 0.000 1.126 112 G CA -0.192 44.187 45.100 -1.202 0.000 0.865 112 G HN 0.516 nan 8.290 nan 0.000 0.474 113 W N 1.379 122.152 121.300 -0.879 0.000 2.819 113 W HA 0.591 5.251 4.660 0.001 0.000 0.337 113 W C -0.330 175.975 176.519 -0.357 0.000 1.077 113 W CA -1.273 55.752 57.345 -0.533 0.000 1.226 113 W CB 2.196 31.481 29.460 -0.292 0.000 1.419 113 W HN 0.383 nan 8.180 nan 0.000 0.502 114 S N 3.281 118.775 115.700 -0.343 0.000 2.409 114 S HA 0.427 4.898 4.470 0.001 0.000 0.308 114 S C -0.454 173.886 174.600 -0.435 0.000 1.080 114 S CA -0.475 57.602 58.200 -0.205 0.000 1.081 114 S CB 0.149 63.330 63.200 -0.030 0.000 1.009 114 S HN 0.209 nan 8.310 nan 0.000 0.502 115 V N 2.714 122.437 119.914 -0.317 0.000 2.532 115 V HA 0.677 4.798 4.120 0.001 0.000 0.295 115 V C 1.100 177.046 176.094 -0.248 0.000 1.041 115 V CA -0.317 61.786 62.300 -0.329 0.000 0.926 115 V CB 1.793 33.481 31.823 -0.226 0.000 0.992 115 V HN 0.915 nan 8.190 nan 0.000 0.457 116 G N 2.709 111.352 108.800 -0.262 0.000 2.989 116 G HA2 0.310 4.271 3.960 0.001 0.000 0.221 116 G HA3 0.310 4.271 3.960 0.001 0.000 0.221 116 G C -0.235 174.186 174.900 -0.800 0.000 1.050 116 G CA 0.132 44.926 45.100 -0.510 0.000 0.913 116 G HN 0.444 nan 8.290 nan 0.000 0.587 117 F N -0.705 119.169 119.950 -0.127 0.000 2.588 117 F HA 0.459 4.986 4.527 0.001 0.000 0.314 117 F C -1.864 173.889 175.800 -0.080 0.000 1.069 117 F CA -2.308 55.637 58.000 -0.092 0.000 0.931 117 F CB 2.154 41.105 39.000 -0.081 0.000 1.260 117 F HN -0.241 nan 8.300 nan 0.000 0.465 118 P HA -0.167 nan 4.420 nan 0.000 0.216 118 P C 1.016 178.358 177.300 0.070 0.000 1.153 118 P CA 1.645 64.781 63.100 0.061 0.000 0.858 118 P CB 0.261 31.991 31.700 0.051 0.000 0.789 119 E N -0.019 120.231 120.200 0.084 0.000 2.147 119 E HA -0.224 4.127 4.350 0.001 0.000 0.199 119 E C 1.798 178.443 176.600 0.075 0.000 1.005 119 E CA 1.410 57.843 56.400 0.055 0.000 0.810 119 E CB -0.855 28.852 29.700 0.011 0.000 0.736 119 E HN 0.490 nan 8.360 nan 0.000 0.460 120 E N -0.339 119.907 120.200 0.078 0.000 2.285 120 E HA -0.061 4.289 4.350 0.001 0.000 0.194 120 E C 1.800 178.507 176.600 0.178 0.000 0.997 120 E CA 0.632 57.081 56.400 0.082 0.000 0.845 120 E CB 0.223 29.852 29.700 -0.118 0.000 0.782 120 E HN 0.098 nan 8.360 nan 0.000 0.491 121 V N 1.672 121.650 119.914 0.106 0.000 2.488 121 V HA -0.187 3.934 4.120 0.001 0.000 0.246 121 V C 1.589 177.742 176.094 0.099 0.000 1.046 121 V CA 1.503 63.859 62.300 0.094 0.000 1.053 121 V CB -0.348 31.486 31.823 0.018 0.000 0.679 121 V HN 0.173 nan 8.190 nan 0.000 0.458 122 D N 0.561 121.012 120.400 0.086 0.000 2.106 122 D HA -0.206 4.435 4.640 0.001 0.000 0.191 122 D C 2.160 178.524 176.300 0.106 0.000 0.997 122 D CA 1.657 55.704 54.000 0.079 0.000 0.834 122 D CB -0.177 40.660 40.800 0.061 0.000 0.956 122 D HN 0.559 nan 8.370 nan 0.000 0.448 123 E N 0.509 120.794 120.200 0.141 0.000 2.051 123 E HA -0.133 4.218 4.350 0.001 0.000 0.192 123 E C 2.343 179.021 176.600 0.131 0.000 0.991 123 E CA 0.288 56.777 56.400 0.148 0.000 0.799 123 E CB -0.258 29.578 29.700 0.228 0.000 0.748 123 E HN 0.227 nan 8.360 nan 0.000 0.449 124 L N 0.771 122.123 121.223 0.215 0.000 2.129 124 L HA -0.231 4.109 4.340 0.001 0.000 0.212 124 L C 2.011 179.009 176.870 0.214 0.000 1.087 124 L CA 1.352 56.287 54.840 0.158 0.000 0.757 124 L CB -0.038 42.190 42.059 0.282 0.000 0.896 124 L HN 0.028 nan 8.230 nan 0.000 0.434 125 S N -0.309 115.514 115.700 0.206 0.000 2.404 125 S HA -0.050 4.421 4.470 0.001 0.000 0.223 125 S C 1.677 176.411 174.600 0.222 0.000 1.040 125 S CA 0.728 59.106 58.200 0.298 0.000 0.957 125 S CB 0.020 63.319 63.200 0.166 0.000 0.826 125 S HN 0.416 nan 8.310 nan 0.000 0.491 126 K N 1.181 121.653 120.400 0.120 0.000 2.442 126 K HA 0.049 4.369 4.320 0.001 0.000 0.199 126 K C 1.422 178.033 176.600 0.019 0.000 1.044 126 K CA 0.904 57.229 56.287 0.062 0.000 0.941 126 K CB -0.223 32.302 32.500 0.042 0.000 0.759 126 K HN 0.421 nan 8.250 nan 0.000 0.472 127 M N -0.132 119.477 119.600 0.015 0.000 2.441 127 M HA 0.123 4.604 4.480 0.001 0.000 0.244 127 M C 0.879 177.090 176.300 -0.147 0.000 1.122 127 M CA 0.147 55.407 55.300 -0.067 0.000 1.041 127 M CB 0.265 32.804 32.600 -0.103 0.000 1.438 127 M HN 0.226 nan 8.290 nan 0.000 0.484 128 G N 1.826 110.534 108.800 -0.154 0.000 2.749 128 G HA2 -0.208 3.753 3.960 0.001 0.000 0.242 128 G HA3 -0.208 3.753 3.960 0.001 0.000 0.242 128 G C -2.963 171.285 174.900 -1.088 0.000 1.364 128 G CA -1.105 43.666 45.100 -0.549 0.000 0.888 128 G HN 0.155 nan 8.290 nan 0.000 0.566 129 P HA 0.452 nan 4.420 nan 0.000 0.277 129 P C 0.747 177.645 177.300 -0.670 0.000 1.276 129 P CA 1.500 63.673 63.100 -1.545 0.000 0.788 129 P CB -0.118 30.946 31.700 -1.060 0.000 1.114 130 D N -2.996 117.143 120.400 -0.435 0.000 2.955 130 D HA -0.246 4.395 4.640 0.001 0.000 0.226 130 D C 0.692 176.869 176.300 -0.204 0.000 1.178 130 D CA 1.713 55.577 54.000 -0.226 0.000 0.808 130 D CB -1.917 38.779 40.800 -0.173 0.000 1.099 130 D HN 0.080 nan 8.370 nan 0.000 0.421 131 M N -1.015 118.444 119.600 -0.235 0.000 2.368 131 M HA 0.643 5.123 4.480 0.001 0.000 0.146 131 M C 1.838 178.065 176.300 -0.120 0.000 1.502 131 M CA 0.747 55.940 55.300 -0.179 0.000 1.424 131 M CB -0.649 31.835 32.600 -0.193 0.000 0.768 131 M HN 0.883 nan 8.290 nan 0.000 0.541 132 V N 1.874 121.756 119.914 -0.054 0.000 2.389 132 V HA 0.207 4.327 4.120 0.001 0.000 0.264 132 V C 0.183 176.348 176.094 0.117 0.000 1.049 132 V CA 0.064 62.339 62.300 -0.041 0.000 0.932 132 V CB -0.317 31.458 31.823 -0.080 0.000 1.011 132 V HN 0.416 nan 8.190 nan 0.000 0.475 133 D N 3.043 123.468 120.400 0.041 0.000 2.354 133 D HA 0.200 4.840 4.640 0.001 0.000 0.209 133 D C -0.131 176.267 176.300 0.163 0.000 1.015 133 D CA 1.451 55.531 54.000 0.134 0.000 0.867 133 D CB 0.407 41.255 40.800 0.079 0.000 0.933 133 D HN 0.849 nan 8.370 nan 0.000 0.520 134 Y N -0.554 119.729 120.300 -0.028 0.000 2.583 134 Y HA 0.367 4.917 4.550 0.001 0.000 0.330 134 Y C -1.963 173.914 175.900 -0.037 0.000 1.185 134 Y CA -1.803 56.219 58.100 -0.131 0.000 1.107 134 Y CB 0.171 38.434 38.460 -0.328 0.000 1.344 134 Y HN -0.169 nan 8.280 nan 0.000 0.463 135 I N 0.871 121.458 120.570 0.028 0.000 2.646 135 I HA 0.993 5.164 4.170 0.001 0.000 0.299 135 I C -0.035 176.202 176.117 0.200 0.000 1.036 135 I CA -1.277 60.022 61.300 -0.002 0.000 1.074 135 I CB 2.522 40.522 38.000 0.001 0.000 1.258 135 I HN 1.067 nan 8.210 nan 0.000 0.430 136 G N 4.452 113.395 108.800 0.239 0.000 2.320 136 G HA2 0.494 4.455 3.960 0.001 0.000 0.300 136 G HA3 0.494 4.455 3.960 0.001 0.000 0.300 136 G C -0.126 174.792 174.900 0.031 0.000 1.126 136 G CA -0.568 44.662 45.100 0.217 0.000 0.896 136 G HN 0.756 nan 8.290 nan 0.000 0.436 137 V N 2.710 122.607 119.914 -0.028 0.000 2.405 137 V HA 0.671 4.792 4.120 0.001 0.000 0.264 137 V C 1.213 177.213 176.094 -0.157 0.000 1.048 137 V CA -0.122 62.113 62.300 -0.108 0.000 0.966 137 V CB -0.262 31.490 31.823 -0.118 0.000 1.015 137 V HN 1.628 nan 8.190 nan 0.000 0.477 138 G N 5.253 113.934 108.800 -0.198 0.000 2.566 138 G HA2 -0.224 3.737 3.960 0.001 0.000 0.308 138 G HA3 -0.224 3.737 3.960 0.001 0.000 0.308 138 G C 0.095 174.881 174.900 -0.190 0.000 1.317 138 G CA 0.228 45.181 45.100 -0.245 0.000 0.930 138 G HN 1.406 nan 8.290 nan 0.000 0.547 139 T N 1.344 115.781 114.554 -0.195 0.000 2.801 139 T HA 0.524 4.874 4.350 0.001 0.000 0.306 139 T C 1.804 176.366 174.700 -0.230 0.000 1.020 139 T CA -0.293 61.712 62.100 -0.158 0.000 0.948 139 T CB 1.270 70.084 68.868 -0.091 0.000 0.962 139 T HN 0.523 nan 8.240 nan 0.000 0.465 140 L N 1.725 122.760 121.223 -0.312 0.000 2.012 140 L HA 0.047 4.388 4.340 0.001 0.000 0.210 140 L C 0.075 176.474 176.870 -0.785 0.000 1.073 140 L CA 1.610 56.071 54.840 -0.632 0.000 0.748 140 L CB -0.167 41.427 42.059 -0.776 0.000 0.891 140 L HN 0.479 nan 8.230 nan 0.000 0.431 141 F N -1.893 118.037 119.950 -0.033 0.000 2.603 141 F HA 0.492 5.020 4.527 0.001 0.000 0.317 141 F C -1.936 173.870 175.800 0.010 0.000 1.066 141 F CA -2.777 55.225 58.000 0.004 0.000 0.941 141 F CB 0.035 39.049 39.000 0.024 0.000 1.291 141 F HN -0.316 nan 8.300 nan 0.000 0.472 155 G N 1.701 110.309 108.800 -0.321 0.000 2.682 155 G HA2 -0.339 3.622 3.960 0.001 0.000 0.256 155 G HA3 -0.339 3.622 3.960 0.001 0.000 0.256 155 G C 0.515 175.215 174.900 -0.334 0.000 1.333 155 G CA 1.490 46.335 45.100 -0.425 0.000 0.904 155 G HN 1.075 nan 8.290 nan 0.000 0.569 156 T N -1.598 112.812 114.554 -0.239 0.000 2.788 156 T HA 0.129 4.480 4.350 0.001 0.000 0.268 156 T C 2.730 177.336 174.700 -0.156 0.000 1.044 156 T CA 2.777 64.769 62.100 -0.179 0.000 1.139 156 T CB -0.626 68.179 68.868 -0.105 0.000 0.867 156 T HN 1.968 nan 8.240 nan 0.000 0.454 157 A N 2.108 124.871 122.820 -0.095 0.000 1.892 157 A HA 0.128 4.449 4.320 0.001 0.000 0.218 157 A C 2.749 180.272 177.584 -0.103 0.000 1.188 157 A CA 1.888 53.877 52.037 -0.080 0.000 0.631 157 A CB -1.632 17.410 19.000 0.071 0.000 0.822 157 A HN 0.614 nan 8.150 nan 0.000 0.447 158 G N -1.104 107.623 108.800 -0.122 0.000 2.448 158 G HA2 0.109 4.070 3.960 0.001 0.000 0.218 158 G HA3 0.109 4.070 3.960 0.001 0.000 0.218 158 G C 1.648 176.437 174.900 -0.184 0.000 1.135 158 G CA 1.272 46.280 45.100 -0.154 0.000 0.784 158 G HN 0.791 nan 8.290 nan 0.000 0.543 159 A N 0.900 123.603 122.820 -0.195 0.000 1.898 159 A HA 0.087 4.407 4.320 0.001 0.000 0.216 159 A C 2.345 179.846 177.584 -0.139 0.000 1.181 159 A CA 1.084 53.013 52.037 -0.180 0.000 0.620 159 A CB -0.359 18.527 19.000 -0.189 0.000 0.819 159 A HN 0.336 nan 8.150 nan 0.000 0.442 160 I N -0.693 119.795 120.570 -0.136 0.000 2.151 160 I HA -0.328 3.842 4.170 0.001 0.000 0.243 160 I C 2.747 178.813 176.117 -0.085 0.000 1.080 160 I CA 1.607 62.840 61.300 -0.112 0.000 1.339 160 I CB -0.299 37.618 38.000 -0.138 0.000 1.039 160 I HN 0.295 nan 8.210 nan 0.000 0.409 161 R N -0.128 120.322 120.500 -0.084 0.000 2.127 161 R HA -0.153 4.187 4.340 0.001 0.000 0.238 161 R C 2.212 178.480 176.300 -0.054 0.000 1.134 161 R CA 1.257 57.324 56.100 -0.055 0.000 0.975 161 R CB -0.291 29.985 30.300 -0.039 0.000 0.865 161 R HN 0.272 nan 8.270 nan 0.000 0.447 162 V N 1.069 120.936 119.914 -0.079 0.000 2.273 162 V HA -0.189 3.932 4.120 0.001 0.000 0.242 162 V C 2.254 178.306 176.094 -0.070 0.000 1.035 162 V CA 1.446 63.701 62.300 -0.076 0.000 1.013 162 V CB -0.340 31.418 31.823 -0.107 0.000 0.652 162 V HN 0.273 nan 8.190 nan 0.000 0.452 163 L N 0.009 121.187 121.223 -0.076 0.000 2.089 163 L HA -0.271 4.069 4.340 0.001 0.000 0.213 163 L C 2.295 179.132 176.870 -0.055 0.000 1.079 163 L CA 1.740 56.540 54.840 -0.066 0.000 0.758 163 L CB -0.808 41.217 42.059 -0.058 0.000 0.891 163 L HN 0.368 nan 8.230 nan 0.000 0.433 164 D N -0.080 120.292 120.400 -0.046 0.000 2.144 164 D HA -0.110 4.531 4.640 0.001 0.000 0.200 164 D C 2.227 178.506 176.300 -0.036 0.000 0.978 164 D CA 1.413 55.392 54.000 -0.036 0.000 0.833 164 D CB 0.041 40.824 40.800 -0.030 0.000 0.961 164 D HN 0.310 nan 8.370 nan 0.000 0.470 165 A N 0.323 123.121 122.820 -0.036 0.000 1.969 165 A HA -0.048 4.272 4.320 0.001 0.000 0.218 165 A C 2.217 179.769 177.584 -0.053 0.000 1.169 165 A CA 0.544 52.563 52.037 -0.031 0.000 0.635 165 A CB -0.630 18.360 19.000 -0.017 0.000 0.810 165 A HN 0.234 nan 8.150 nan 0.000 0.445 166 L N -1.118 120.058 121.223 -0.078 0.000 2.549 166 L HA -0.121 4.219 4.340 0.001 0.000 0.229 166 L C 2.300 179.098 176.870 -0.120 0.000 1.158 166 L CA 1.218 55.980 54.840 -0.129 0.000 0.842 166 L CB -0.102 41.871 42.059 -0.143 0.000 0.952 166 L HN 0.452 nan 8.230 nan 0.000 0.452 167 E N -0.270 119.887 120.200 -0.072 0.000 2.288 167 E HA -0.067 4.284 4.350 0.001 0.000 0.200 167 E C 2.101 178.682 176.600 -0.032 0.000 0.880 167 E CA 0.147 56.517 56.400 -0.050 0.000 0.971 167 E CB 0.104 29.782 29.700 -0.037 0.000 0.954 167 E HN 0.110 nan 8.360 nan 0.000 0.489 168 R N 0.407 120.891 120.500 -0.028 0.000 2.159 168 R HA -0.084 4.256 4.340 0.001 0.000 0.237 168 R C 0.754 177.051 176.300 -0.006 0.000 1.131 168 R CA 1.840 57.931 56.100 -0.014 0.000 0.982 168 R CB -0.216 30.077 30.300 -0.012 0.000 0.868 168 R HN 0.069 nan 8.270 nan 0.000 0.453 169 N N 0.386 119.075 118.700 -0.019 0.000 2.280 169 N HA -0.035 4.705 4.740 0.001 0.000 0.192 169 N C -0.646 174.863 175.510 -0.001 0.000 1.109 169 N CA 0.061 53.108 53.050 -0.005 0.000 0.855 169 N CB 0.296 38.770 38.487 -0.021 0.000 0.974 169 N HN 0.200 nan 8.380 nan 0.000 0.482 170 N N 0.963 119.654 118.700 -0.014 0.000 2.666 170 N HA -0.249 4.491 4.740 0.001 0.000 0.274 170 N C -0.776 174.699 175.510 -0.058 0.000 1.043 170 N CA 0.565 53.624 53.050 0.015 0.000 0.782 170 N CB -0.852 37.694 38.487 0.098 0.000 0.912 170 N HN 0.286 nan 8.380 nan 0.000 0.556 171 A N 3.308 125.921 122.820 -0.344 0.000 3.258 171 A HA 0.132 4.453 4.320 0.001 0.000 0.275 171 A C 1.576 178.655 177.584 -0.841 0.000 1.452 171 A CA 0.114 51.522 52.037 -1.048 0.000 1.120 171 A CB -0.580 17.746 19.000 -1.123 0.000 1.107 171 A HN 0.739 nan 8.150 nan 0.000 0.651 172 H N -1.079 117.839 119.070 -0.252 0.000 2.478 172 H HA -0.279 4.278 4.556 0.001 0.000 0.294 172 H C 1.398 176.720 175.328 -0.011 0.000 1.125 172 H CA 2.070 58.083 56.048 -0.059 0.000 1.225 172 H CB -0.506 29.306 29.762 0.085 0.000 1.360 172 H HN 0.915 nan 8.280 nan 0.000 0.519 173 W N 0.982 121.993 121.300 -0.482 0.000 3.003 173 W HA 0.309 4.970 4.660 0.001 0.000 0.257 173 W C 0.310 176.761 176.519 -0.114 0.000 1.308 173 W CA -0.635 56.538 57.345 -0.286 0.000 1.529 173 W CB -0.561 28.655 29.460 -0.408 0.000 1.115 173 W HN 0.171 nan 8.180 nan 0.000 0.659 174 C N 5.419 124.377 119.300 -0.569 0.000 2.239 174 C HA 0.518 4.979 4.460 0.001 0.000 0.325 174 C C 0.745 175.617 174.990 -0.196 0.000 1.231 174 C CA -1.209 57.593 59.018 -0.359 0.000 1.652 174 C CB -0.481 26.899 27.740 -0.600 0.000 2.284 174 C HN 0.180 nan 8.230 nan 0.000 0.499 175 R N 3.308 123.747 120.500 -0.101 0.000 2.580 175 R HA 0.614 4.955 4.340 0.001 0.000 0.267 175 R C 0.199 176.395 176.300 -0.174 0.000 1.125 175 R CA -0.079 55.922 56.100 -0.165 0.000 1.188 175 R CB 0.449 30.568 30.300 -0.301 0.000 1.155 175 R HN 0.850 nan 8.270 nan 0.000 0.586 176 T N -2.612 111.828 114.554 -0.191 0.000 2.916 176 T HA 0.544 4.894 4.350 0.001 0.000 0.298 176 T C -0.251 174.393 174.700 -0.093 0.000 1.031 176 T CA -0.956 61.085 62.100 -0.098 0.000 0.993 176 T CB 1.525 70.352 68.868 -0.068 0.000 1.045 176 T HN 0.405 nan 8.240 nan 0.000 0.454 177 V N -0.458 119.461 119.914 0.009 0.000 2.656 177 V HA 0.985 5.106 4.120 0.001 0.000 0.307 177 V C 0.464 176.577 176.094 0.032 0.000 1.051 177 V CA -0.845 61.487 62.300 0.054 0.000 0.893 177 V CB 1.362 33.295 31.823 0.183 0.000 0.999 177 V HN 1.285 nan 8.190 nan 0.000 0.426 178 G N 2.774 111.571 108.800 -0.005 0.000 2.444 178 G HA2 0.643 4.604 3.960 0.001 0.000 0.268 178 G HA3 0.643 4.604 3.960 0.001 0.000 0.268 178 G C -0.894 173.971 174.900 -0.058 0.000 1.203 178 G CA -0.446 44.624 45.100 -0.050 0.000 0.835 178 G HN 1.115 nan 8.290 nan 0.000 0.543 179 I N -0.072 120.444 120.570 -0.090 0.000 2.827 179 I HA 0.634 4.805 4.170 0.001 0.000 0.298 179 I C -0.137 175.919 176.117 -0.103 0.000 1.235 179 I CA -0.219 61.019 61.300 -0.104 0.000 1.021 179 I CB 2.190 40.118 38.000 -0.120 0.000 1.259 179 I HN 1.233 nan 8.210 nan 0.000 0.427 180 G N 4.286 113.036 108.800 -0.084 0.000 2.798 180 G HA2 0.380 4.341 3.960 0.001 0.000 0.658 180 G HA3 0.380 4.341 3.960 0.001 0.000 0.658 180 G C 0.386 175.318 174.900 0.053 0.000 1.148 180 G CA -0.326 44.749 45.100 -0.042 0.000 1.200 180 G HN 1.890 nan 8.290 nan 0.000 0.519 181 G N -0.692 108.123 108.800 0.025 0.000 2.182 181 G HA2 0.018 3.978 3.960 0.001 0.000 0.248 181 G HA3 0.018 3.978 3.960 0.001 0.000 0.248 181 G C 0.300 175.233 174.900 0.055 0.000 1.042 181 G CA 0.412 45.580 45.100 0.112 0.000 0.775 181 G HN 1.574 nan 8.290 nan 0.000 0.501 182 L N 1.892 123.014 121.223 -0.168 0.000 2.281 182 L HA 0.597 4.938 4.340 0.001 0.000 0.285 182 L C 0.639 177.207 176.870 -0.503 0.000 1.074 182 L CA -0.429 54.308 54.840 -0.172 0.000 0.817 182 L CB 0.511 42.508 42.059 -0.103 0.000 1.168 182 L HN 0.341 nan 8.230 nan 0.000 0.434 183 H N 3.704 122.743 119.070 -0.052 0.000 2.941 183 H HA 0.346 4.903 4.556 0.002 0.000 0.344 183 H C -1.911 173.368 175.328 -0.081 0.000 1.235 183 H CA -1.600 54.409 56.048 -0.066 0.000 1.149 183 H CB 1.241 30.955 29.762 -0.080 0.000 1.885 183 H HN 0.187 nan 8.280 nan 0.000 0.558 184 P HA -0.117 nan 4.420 nan 0.000 0.222 184 P C 0.532 177.813 177.300 -0.032 0.000 1.147 184 P CA 1.490 64.590 63.100 -0.001 0.000 0.790 184 P CB -0.030 31.674 31.700 0.006 0.000 0.780 185 D N -1.433 118.952 120.400 -0.025 0.000 2.352 185 D HA -0.071 4.569 4.640 0.001 0.000 0.232 185 D C 0.807 177.042 176.300 -0.108 0.000 1.055 185 D CA 0.277 54.238 54.000 -0.064 0.000 0.891 185 D CB -0.859 39.892 40.800 -0.082 0.000 0.897 185 D HN 0.193 nan 8.370 nan 0.000 0.529 186 N N -0.775 117.849 118.700 -0.125 0.000 1.903 186 N HA -0.032 4.709 4.740 0.001 0.000 0.220 186 N C 0.553 175.974 175.510 -0.149 0.000 1.427 186 N CA -0.303 52.643 53.050 -0.173 0.000 0.697 186 N CB -1.104 37.198 38.487 -0.308 0.000 1.097 186 N HN 0.246 nan 8.380 nan 0.000 0.564 187 I N 1.733 122.212 120.570 -0.152 0.000 2.286 187 I HA -0.174 3.997 4.170 0.001 0.000 0.245 187 I C 2.129 178.060 176.117 -0.310 0.000 1.104 187 I CA 1.492 62.696 61.300 -0.160 0.000 1.397 187 I CB 0.085 38.016 38.000 -0.116 0.000 1.072 187 I HN 0.254 nan 8.210 nan 0.000 0.417 188 E N 0.863 120.790 120.200 -0.456 0.000 2.072 188 E HA -0.297 4.054 4.350 0.001 0.000 0.191 188 E C 2.179 178.247 176.600 -0.887 0.000 0.985 188 E CA 0.992 56.900 56.400 -0.820 0.000 0.801 188 E CB -0.504 28.670 29.700 -0.877 0.000 0.750 188 E HN 0.459 nan 8.360 nan 0.000 0.452 189 R N 1.492 121.581 120.500 -0.685 0.000 2.120 189 R HA -0.103 4.237 4.340 0.001 0.000 0.234 189 R C 2.192 178.427 176.300 -0.108 0.000 1.123 189 R CA 1.044 57.002 56.100 -0.237 0.000 0.975 189 R CB -0.121 30.152 30.300 -0.046 0.000 0.866 189 R HN 0.073 nan 8.270 nan 0.000 0.446 190 V N 0.965 120.802 119.914 -0.129 0.000 2.323 190 V HA -0.202 3.919 4.120 0.001 0.000 0.244 190 V C 2.203 178.217 176.094 -0.133 0.000 1.041 190 V CA 1.182 63.441 62.300 -0.069 0.000 1.025 190 V CB -0.369 31.453 31.823 -0.001 0.000 0.656 190 V HN 0.277 nan 8.190 nan 0.000 0.451 191 L N -0.804 120.278 121.223 -0.235 0.000 2.079 191 L HA -0.206 4.134 4.340 0.001 0.000 0.210 191 L C 2.204 179.003 176.870 -0.118 0.000 1.081 191 L CA 2.049 56.751 54.840 -0.230 0.000 0.752 191 L CB -1.175 40.606 42.059 -0.462 0.000 0.896 191 L HN 0.524 nan 8.230 nan 0.000 0.433 192 Y N 0.375 120.474 120.300 -0.335 0.000 2.220 192 Y HA -0.243 4.307 4.550 0.001 0.000 0.291 192 Y C 2.378 178.234 175.900 -0.073 0.000 1.129 192 Y CA 1.424 59.467 58.100 -0.094 0.000 1.161 192 Y CB 0.271 38.731 38.460 0.001 0.000 0.997 192 Y HN 0.440 nan 8.280 nan 0.000 0.522 193 Q N -1.615 118.021 119.800 -0.273 0.000 2.319 193 Q HA 0.153 4.494 4.340 0.001 0.000 0.209 193 Q C 0.391 176.225 176.000 -0.276 0.000 0.884 193 Q CA 0.055 55.602 55.803 -0.428 0.000 0.938 193 Q CB -0.089 28.390 28.738 -0.431 0.000 1.098 193 Q HN 0.259 nan 8.270 nan 0.000 0.517 194 C N 3.361 122.557 119.300 -0.173 0.000 2.756 194 C HA 0.408 4.869 4.460 0.001 0.000 0.504 194 C C 0.384 175.320 174.990 -0.090 0.000 1.028 194 C CA -0.885 58.054 59.018 -0.132 0.000 1.167 194 C CB -1.762 25.913 27.740 -0.108 0.000 1.444 194 C HN 0.374 nan 8.230 nan 0.000 0.577 195 V N 0.452 120.308 119.914 -0.096 0.000 2.962 195 V HA 0.716 4.837 4.120 0.001 0.000 0.313 195 V C 0.126 176.240 176.094 0.034 0.000 1.099 195 V CA -0.551 61.740 62.300 -0.014 0.000 0.971 195 V CB 1.573 33.402 31.823 0.011 0.000 1.028 195 V HN 0.374 nan 8.190 nan 0.000 0.430 196 S N 1.835 117.569 115.700 0.058 0.000 2.569 196 S HA 0.120 4.590 4.470 0.001 0.000 0.274 196 S C 1.336 176.013 174.600 0.127 0.000 1.353 196 S CA 0.525 58.755 58.200 0.050 0.000 1.023 196 S CB 0.957 64.170 63.200 0.021 0.000 0.876 196 S HN 1.000 nan 8.310 nan 0.000 0.540 197 S N 1.713 117.448 115.700 0.058 0.000 2.489 197 S HA -0.042 4.429 4.470 0.001 0.000 0.228 197 S C 1.217 175.732 174.600 -0.142 0.000 0.995 197 S CA 0.855 59.072 58.200 0.028 0.000 0.934 197 S CB -0.482 62.710 63.200 -0.012 0.000 0.771 197 S HN 0.864 nan 8.310 nan 0.000 0.522 198 N N 0.344 118.991 118.700 -0.088 0.000 2.276 198 N HA 0.236 4.977 4.740 0.001 0.000 0.212 198 N C 0.991 176.448 175.510 -0.089 0.000 1.127 198 N CA 0.623 53.597 53.050 -0.126 0.000 0.834 198 N CB -0.292 38.149 38.487 -0.077 0.000 1.014 198 N HN 0.193 nan 8.380 nan 0.000 0.491 199 G N 0.619 109.411 108.800 -0.012 0.000 2.270 199 G HA2 -0.428 3.532 3.960 0.001 0.000 0.268 199 G HA3 -0.428 3.532 3.960 0.001 0.000 0.268 199 G C 1.010 175.957 174.900 0.078 0.000 0.982 199 G CA 0.801 45.967 45.100 0.109 0.000 0.628 199 G HN 0.486 nan 8.290 nan 0.000 0.544 200 K N -0.239 120.182 120.400 0.033 0.000 2.432 200 K HA 0.084 4.405 4.320 0.001 0.000 0.196 200 K C 1.207 177.826 176.600 0.031 0.000 1.038 200 K CA 0.486 56.789 56.287 0.027 0.000 0.986 200 K CB 0.192 32.697 32.500 0.008 0.000 0.782 200 K HN 0.421 nan 8.250 nan 0.000 0.485 201 R N 0.675 121.196 120.500 0.034 0.000 2.522 201 R HA 0.130 4.471 4.340 0.001 0.000 0.283 201 R C -1.094 175.222 176.300 0.026 0.000 1.074 201 R CA -0.220 55.893 56.100 0.022 0.000 0.925 201 R CB 1.650 31.947 30.300 -0.005 0.000 1.205 201 R HN 0.027 nan 8.270 nan 0.000 0.436 202 S N 3.937 119.654 115.700 0.029 0.000 2.874 202 S HA 0.541 5.012 4.470 0.001 0.000 0.318 202 S C -0.135 174.470 174.600 0.008 0.000 1.109 202 S CA -0.954 57.260 58.200 0.023 0.000 0.878 202 S CB 0.815 64.048 63.200 0.055 0.000 1.307 202 S HN 0.471 nan 8.310 nan 0.000 0.592 203 L N 1.358 122.584 121.223 0.006 0.000 2.410 203 L HA 0.244 4.585 4.340 0.001 0.000 0.273 203 L C 0.239 177.123 176.870 0.023 0.000 1.152 203 L CA -0.098 54.740 54.840 -0.003 0.000 0.855 203 L CB 0.215 42.266 42.059 -0.012 0.000 1.129 203 L HN 0.769 nan 8.230 nan 0.000 0.463 204 D N 1.474 121.879 120.400 0.009 0.000 2.347 204 D HA 0.145 4.786 4.640 0.001 0.000 0.215 204 D C 0.758 177.118 176.300 0.100 0.000 0.976 204 D CA 0.639 54.668 54.000 0.048 0.000 0.884 204 D CB 0.475 41.282 40.800 0.011 0.000 0.915 204 D HN 0.716 nan 8.370 nan 0.000 0.526 205 G N -0.640 108.208 108.800 0.080 0.000 2.430 205 G HA2 0.479 4.440 3.960 0.001 0.000 0.300 205 G HA3 0.479 4.440 3.960 0.001 0.000 0.300 205 G C -1.846 173.102 174.900 0.081 0.000 1.330 205 G CA -0.847 44.319 45.100 0.109 0.000 0.813 205 G HN 0.013 nan 8.290 nan 0.000 0.487 206 I N -0.165 120.455 120.570 0.084 0.000 2.498 206 I HA 0.369 4.540 4.170 0.001 0.000 0.290 206 I C -0.534 175.607 176.117 0.040 0.000 1.032 206 I CA -0.644 60.677 61.300 0.036 0.000 1.073 206 I CB 2.225 40.226 38.000 0.002 0.000 1.251 206 I HN 0.457 nan 8.210 nan 0.000 0.426 207 C N 6.803 126.086 119.300 -0.028 0.000 2.246 207 C HA 0.454 4.914 4.460 0.001 0.000 0.329 207 C C 0.358 175.267 174.990 -0.134 0.000 1.221 207 C CA -0.680 58.267 59.018 -0.119 0.000 1.697 207 C CB -0.003 27.589 27.740 -0.247 0.000 2.312 207 C HN 0.470 nan 8.230 nan 0.000 0.509 208 V N 4.167 124.012 119.914 -0.116 0.000 2.612 208 V HA 0.840 4.960 4.120 0.001 0.000 0.301 208 V C -0.104 175.913 176.094 -0.128 0.000 1.046 208 V CA -0.188 62.030 62.300 -0.136 0.000 0.946 208 V CB 1.396 33.157 31.823 -0.103 0.000 1.003 208 V HN 0.608 nan 8.190 nan 0.000 0.459 209 V N 2.383 122.219 119.914 -0.130 0.000 4.213 209 V HA 0.078 4.199 4.120 0.001 0.000 0.179 209 V C 2.229 178.295 176.094 -0.048 0.000 1.148 209 V CA 1.065 63.311 62.300 -0.091 0.000 1.346 209 V CB 0.053 31.821 31.823 -0.093 0.000 1.703 209 V HN 0.970 nan 8.190 nan 0.000 0.525 210 S N 0.164 115.852 115.700 -0.019 0.000 2.537 210 S HA -0.186 4.285 4.470 0.001 0.000 0.240 210 S C 1.190 175.833 174.600 0.072 0.000 0.981 210 S CA 1.820 60.046 58.200 0.043 0.000 0.948 210 S CB -0.410 62.851 63.200 0.102 0.000 0.759 210 S HN 0.649 nan 8.310 nan 0.000 0.531 211 D N 0.610 121.033 120.400 0.038 0.000 2.327 211 D HA 0.266 4.907 4.640 0.001 0.000 0.205 211 D C 1.511 177.826 176.300 0.025 0.000 0.989 211 D CA 0.533 54.574 54.000 0.069 0.000 0.873 211 D CB 0.096 40.923 40.800 0.046 0.000 0.955 211 D HN 0.462 nan 8.370 nan 0.000 0.515 212 I N -0.372 120.197 120.570 -0.002 0.000 3.194 212 I HA -0.036 4.135 4.170 0.001 0.000 0.271 212 I C 1.595 177.708 176.117 -0.007 0.000 1.150 212 I CA -0.089 61.206 61.300 -0.008 0.000 1.440 212 I CB 0.297 38.284 38.000 -0.021 0.000 1.276 212 I HN -0.045 nan 8.210 nan 0.000 0.457 213 I N 1.899 122.463 120.570 -0.010 0.000 2.127 213 I HA -0.244 3.927 4.170 0.001 0.000 0.241 213 I C 2.576 178.694 176.117 0.002 0.000 1.075 213 I CA 1.904 63.200 61.300 -0.007 0.000 1.334 213 I CB -1.305 36.688 38.000 -0.012 0.000 1.040 213 I HN 0.151 nan 8.210 nan 0.000 0.405 214 A N -0.231 122.594 122.820 0.008 0.000 2.238 214 A HA 0.033 4.353 4.320 0.001 0.000 0.208 214 A C 1.391 178.981 177.584 0.009 0.000 1.177 214 A CA 0.157 52.200 52.037 0.010 0.000 0.804 214 A CB -0.416 18.593 19.000 0.015 0.000 0.823 214 A HN 0.332 nan 8.150 nan 0.000 0.482 215 S N -0.414 115.291 115.700 0.009 0.000 2.549 215 S HA 0.303 4.774 4.470 0.001 0.000 0.283 215 S C 1.052 175.655 174.600 0.005 0.000 1.320 215 S CA -0.470 57.734 58.200 0.007 0.000 1.058 215 S CB 0.207 63.411 63.200 0.007 0.000 0.882 215 S HN 0.382 nan 8.310 nan 0.000 0.498 216 L N 2.869 124.094 121.223 0.003 0.000 2.291 216 L HA 0.172 4.512 4.340 0.001 0.000 0.214 216 L C 0.736 177.609 176.870 0.005 0.000 1.120 216 L CA 0.698 55.540 54.840 0.004 0.000 0.799 216 L CB -0.018 42.042 42.059 0.001 0.000 0.925 216 L HN 0.573 nan 8.230 nan 0.000 0.446 217 D N -0.619 119.783 120.400 0.004 0.000 2.400 217 D HA 0.298 4.939 4.640 0.001 0.000 0.272 217 D C 0.771 177.072 176.300 0.002 0.000 1.220 217 D CA -0.023 53.980 54.000 0.004 0.000 0.897 217 D CB 1.315 42.117 40.800 0.003 0.000 1.134 217 D HN 0.016 nan 8.370 nan 0.000 0.507 218 A N 2.409 125.230 122.820 0.001 0.000 2.019 218 A HA 0.065 4.385 4.320 0.001 0.000 0.219 218 A C 2.129 179.709 177.584 -0.007 0.000 1.164 218 A CA 1.627 53.662 52.037 -0.004 0.000 0.644 218 A CB -0.250 18.744 19.000 -0.009 0.000 0.805 218 A HN 0.539 nan 8.150 nan 0.000 0.449 219 A N -0.042 122.776 122.820 -0.004 0.000 1.902 219 A HA -0.168 4.153 4.320 0.001 0.000 0.217 219 A C 2.131 179.714 177.584 -0.001 0.000 1.181 219 A CA 1.971 54.006 52.037 -0.003 0.000 0.623 219 A CB -0.405 18.597 19.000 0.003 0.000 0.818 219 A HN 0.557 nan 8.150 nan 0.000 0.443 220 K N -0.454 119.947 120.400 0.001 0.000 2.001 220 K HA -0.080 4.241 4.320 0.001 0.000 0.208 220 K C 2.238 178.840 176.600 0.002 0.000 1.048 220 K CA 1.446 57.734 56.287 0.002 0.000 0.932 220 K CB -0.265 32.237 32.500 0.002 0.000 0.715 220 K HN 0.361 nan 8.250 nan 0.000 0.437 221 S N 0.231 115.932 115.700 0.002 0.000 2.402 221 S HA -0.138 4.333 4.470 0.001 0.000 0.233 221 S C 1.742 176.343 174.600 0.001 0.000 1.030 221 S CA 1.885 60.087 58.200 0.004 0.000 1.003 221 S CB -0.309 62.895 63.200 0.007 0.000 0.813 221 S HN 0.475 nan 8.310 nan 0.000 0.477 222 T N 1.390 115.942 114.554 -0.003 0.000 2.896 222 T HA 0.027 4.377 4.350 0.001 0.000 0.263 222 T C 2.370 177.069 174.700 -0.001 0.000 1.050 222 T CA 1.514 63.611 62.100 -0.006 0.000 1.140 222 T CB -0.360 68.499 68.868 -0.014 0.000 0.877 222 T HN 0.569 nan 8.240 nan 0.000 0.457 223 K N 1.218 121.619 120.400 0.001 0.000 2.209 223 K HA 0.119 4.439 4.320 0.001 0.000 0.204 223 K C 2.050 178.654 176.600 0.007 0.000 1.048 223 K CA 0.932 57.222 56.287 0.004 0.000 0.940 223 K CB -1.040 31.463 32.500 0.005 0.000 0.729 223 K HN 0.490 nan 8.250 nan 0.000 0.451 224 I N 0.206 120.779 120.570 0.006 0.000 2.193 224 I HA -0.172 3.998 4.170 0.001 0.000 0.240 224 I C 2.394 178.516 176.117 0.008 0.000 1.084 224 I CA 1.016 62.321 61.300 0.008 0.000 1.365 224 I CB -0.083 37.921 38.000 0.006 0.000 1.064 224 I HN 0.205 nan 8.210 nan 0.000 0.410 225 L N -0.089 121.137 121.223 0.005 0.000 2.191 225 L HA -0.169 4.172 4.340 0.001 0.000 0.212 225 L C 2.680 179.557 176.870 0.011 0.000 1.103 225 L CA 0.740 55.582 54.840 0.002 0.000 0.769 225 L CB -0.598 41.458 42.059 -0.006 0.000 0.908 225 L HN 0.209 nan 8.230 nan 0.000 0.438 226 R N 0.550 121.057 120.500 0.013 0.000 2.066 226 R HA -0.049 4.292 4.340 0.001 0.000 0.232 226 R C 2.304 178.620 176.300 0.027 0.000 1.131 226 R CA 1.382 57.493 56.100 0.018 0.000 0.955 226 R CB -1.218 29.090 30.300 0.012 0.000 0.851 226 R HN 0.368 nan 8.270 nan 0.000 0.432 227 G N 0.940 109.754 108.800 0.023 0.000 2.503 227 G HA2 -0.246 3.714 3.960 0.001 0.000 0.221 227 G HA3 -0.246 3.714 3.960 0.001 0.000 0.221 227 G C 1.309 176.237 174.900 0.047 0.000 1.131 227 G CA 0.705 45.822 45.100 0.028 0.000 0.756 227 G HN 0.192 nan 8.290 nan 0.000 0.572 228 L N 0.222 121.475 121.223 0.049 0.000 2.131 228 L HA 0.220 4.560 4.340 0.001 0.000 0.206 228 L C 2.767 179.717 176.870 0.133 0.000 1.087 228 L CA 0.823 55.709 54.840 0.076 0.000 0.767 228 L CB -0.459 41.611 42.059 0.018 0.000 0.917 228 L HN 0.203 nan 8.230 nan 0.000 0.441 229 I N 0.116 120.741 120.570 0.092 0.000 2.353 229 I HA -0.217 3.954 4.170 0.001 0.000 0.248 229 I C 1.089 177.291 176.117 0.141 0.000 1.119 229 I CA 1.231 62.602 61.300 0.117 0.000 1.417 229 I CB -0.242 37.798 38.000 0.066 0.000 1.078 229 I HN 0.388 nan 8.210 nan 0.000 0.421 230 D N -0.237 120.214 120.400 0.085 0.000 2.368 230 D HA 0.046 4.687 4.640 0.001 0.000 0.218 230 D C 0.666 176.972 176.300 0.009 0.000 1.112 230 D CA -0.258 53.770 54.000 0.047 0.000 0.834 230 D CB -0.053 40.764 40.800 0.029 0.000 0.953 230 D HN 0.077 nan 8.370 nan 0.000 0.505 231 K N -0.032 120.380 120.400 0.020 0.000 2.118 231 K HA 0.331 4.651 4.320 0.001 0.000 0.240 231 K C 0.509 176.942 176.600 -0.279 0.000 1.035 231 K CA 0.234 56.485 56.287 -0.060 0.000 0.899 231 K CB 0.626 33.139 32.500 0.022 0.000 1.085 231 K HN 0.082 nan 8.250 nan 0.000 0.498 232 T N -2.327 111.992 114.554 -0.391 0.000 3.130 232 T HA 0.217 4.567 4.350 0.001 0.000 0.288 232 T C -0.856 173.482 174.700 -0.603 0.000 0.936 232 T CA -0.588 61.131 62.100 -0.635 0.000 0.897 232 T CB 0.190 68.876 68.868 -0.302 0.000 1.178 232 T HN 0.393 nan 8.240 nan 0.000 0.543 233 D N 1.787 121.964 120.400 -0.371 0.000 2.425 233 D HA 0.229 4.869 4.640 0.001 0.000 0.240 233 D C -1.562 174.798 176.300 0.100 0.000 1.080 233 D CA -0.457 53.461 54.000 -0.136 0.000 0.836 233 D CB 1.544 42.302 40.800 -0.070 0.000 1.125 233 D HN 0.135 nan 8.370 nan 0.000 0.525 234 Y N 2.934 123.236 120.300 0.003 0.000 2.804 234 Y HA 0.127 4.677 4.550 0.001 0.000 0.330 234 Y C 0.088 175.962 175.900 -0.043 0.000 1.092 234 Y CA -0.989 57.138 58.100 0.044 0.000 1.315 234 Y CB 0.249 38.659 38.460 -0.083 0.000 1.188 234 Y HN -0.016 nan 8.280 nan 0.000 0.512 235 K N 6.822 127.208 120.400 -0.023 0.000 2.081 235 K HA -0.015 4.305 4.320 0.001 0.000 0.230 235 K C 0.600 176.990 176.600 -0.349 0.000 1.199 235 K CA 0.090 56.237 56.287 -0.233 0.000 1.130 235 K CB -0.897 31.531 32.500 -0.120 0.000 1.386 235 K HN 0.737 nan 8.250 nan 0.000 0.280 236 F N -0.416 119.156 119.950 -0.630 0.000 2.615 236 F HA 0.114 4.641 4.527 0.001 0.000 0.297 236 F C 0.560 176.200 175.800 -0.268 0.000 1.124 236 F CA -0.494 57.087 58.000 -0.698 0.000 1.451 236 F CB 0.244 38.558 39.000 -1.142 0.000 1.103 236 F HN -0.068 nan 8.300 nan 0.000 0.569 237 V N 1.492 121.007 119.914 -0.666 0.000 2.760 237 V HA 0.347 4.467 4.120 0.001 0.000 0.309 237 V C -0.781 175.145 176.094 -0.280 0.000 1.077 237 V CA -0.969 61.129 62.300 -0.337 0.000 0.910 237 V CB 1.756 33.403 31.823 -0.294 0.000 1.008 237 V HN 0.177 nan 8.190 nan 0.000 0.424 238 N N 5.685 124.303 118.700 -0.137 0.000 3.210 238 N HA 0.348 5.089 4.740 0.001 0.000 0.314 238 N C -0.754 174.708 175.510 -0.081 0.000 1.291 238 N CA 0.356 53.343 53.050 -0.105 0.000 1.202 238 N CB -0.752 37.692 38.487 -0.071 0.000 1.475 238 N HN 0.608 nan 8.380 nan 0.000 0.554 239 I N -1.186 119.314 120.570 -0.118 0.000 2.913 239 I HA 0.352 4.522 4.170 0.001 0.000 0.302 239 I C 0.723 176.781 176.117 -0.099 0.000 1.246 239 I CA -1.605 59.651 61.300 -0.073 0.000 1.010 239 I CB 2.037 40.009 38.000 -0.047 0.000 1.259 239 I HN 0.073 nan 8.210 nan 0.000 0.434 240 G N 3.376 112.146 108.800 -0.050 0.000 2.414 240 G HA2 0.315 4.275 3.960 0.001 0.000 0.236 240 G HA3 0.315 4.275 3.960 0.001 0.000 0.236 240 G C 0.181 175.046 174.900 -0.059 0.000 1.293 240 G CA -0.034 45.037 45.100 -0.048 0.000 0.869 240 G HN 0.615 nan 8.290 nan 0.000 0.556 241 L N 1.626 122.806 121.223 -0.070 0.000 2.906 241 L HA 0.145 4.486 4.340 0.001 0.000 0.255 241 L C 1.063 177.923 176.870 -0.017 0.000 1.166 241 L CA -0.229 54.580 54.840 -0.052 0.000 0.977 241 L CB 0.197 42.196 42.059 -0.100 0.000 1.313 241 L HN 0.385 nan 8.230 nan 0.000 0.549 242 S N 0.613 116.304 115.700 -0.015 0.000 2.561 242 S HA -0.016 4.454 4.470 0.001 0.000 0.294 242 S C 0.564 175.157 174.600 -0.011 0.000 1.294 242 S CA 0.205 58.402 58.200 -0.005 0.000 1.055 242 S CB 0.342 63.545 63.200 0.006 0.000 0.819 242 S HN 0.172 nan 8.310 nan 0.000 0.503 243 T N 5.262 119.811 114.554 -0.010 0.000 2.779 243 T HA 0.184 4.534 4.350 0.001 0.000 0.296 243 T C 0.051 174.748 174.700 -0.005 0.000 0.938 243 T CA -0.423 61.656 62.100 -0.034 0.000 1.119 243 T CB 0.167 69.019 68.868 -0.025 0.000 0.891 243 T HN 0.283 nan 8.240 nan 0.000 0.526 244 K N 3.734 124.130 120.400 -0.007 0.000 2.307 244 K HA 0.361 4.681 4.320 0.001 0.000 0.263 244 K C 0.464 177.163 176.600 0.164 0.000 0.973 244 K CA -0.708 55.636 56.287 0.095 0.000 0.846 244 K CB 1.538 34.059 32.500 0.035 0.000 1.100 244 K HN 0.440 nan 8.250 nan 0.000 0.438 245 N N 0.225 119.033 118.700 0.180 0.000 2.348 245 N HA -0.009 4.731 4.740 0.001 0.000 0.183 245 N C -0.229 175.472 175.510 0.317 0.000 1.094 245 N CA 0.034 53.221 53.050 0.229 0.000 0.885 245 N CB 0.514 39.087 38.487 0.143 0.000 1.065 245 N HN 0.274 nan 8.380 nan 0.000 0.472 246 S N 2.491 118.345 115.700 0.257 0.000 2.481 246 S HA 0.099 4.569 4.470 0.001 0.000 0.282 246 S C 0.393 175.137 174.600 0.239 0.000 1.243 246 S CA -0.448 57.894 58.200 0.236 0.000 1.078 246 S CB 0.296 63.599 63.200 0.172 0.000 0.916 246 S HN 0.103 nan 8.310 nan 0.000 0.495 247 L N 3.678 124.996 121.223 0.158 0.000 2.605 247 L HA -0.042 4.298 4.340 0.001 0.000 0.296 247 L C 1.129 178.012 176.870 0.022 0.000 1.255 247 L CA 0.876 55.736 54.840 0.034 0.000 0.879 247 L CB -0.593 41.431 42.059 -0.058 0.000 1.124 247 L HN 0.602 nan 8.230 nan 0.000 0.507 248 T N 2.640 117.179 114.554 -0.026 0.000 2.793 248 T HA 0.158 4.509 4.350 0.001 0.000 0.289 248 T C 0.640 175.220 174.700 -0.201 0.000 0.956 248 T CA -0.121 61.844 62.100 -0.226 0.000 1.177 248 T CB -0.367 68.394 68.868 -0.177 0.000 0.897 248 T HN 0.808 nan 8.240 nan 0.000 0.533 249 T N 1.281 115.692 114.554 -0.239 0.000 2.868 249 T HA 0.137 4.488 4.350 0.001 0.000 0.292 249 T C 1.731 176.318 174.700 -0.189 0.000 1.028 249 T CA -0.655 61.346 62.100 -0.166 0.000 1.059 249 T CB 0.861 69.649 68.868 -0.133 0.000 0.991 249 T HN 0.417 nan 8.240 nan 0.000 0.531 250 T N 1.415 115.864 114.554 -0.176 0.000 2.653 250 T HA -0.145 4.205 4.350 0.001 0.000 0.268 250 T C 1.429 176.001 174.700 -0.214 0.000 1.035 250 T CA 1.994 63.958 62.100 -0.227 0.000 1.154 250 T CB -0.633 68.107 68.868 -0.212 0.000 0.862 250 T HN 0.716 nan 8.240 nan 0.000 0.441 251 D N 0.509 120.813 120.400 -0.161 0.000 2.178 251 D HA -0.036 4.604 4.640 0.001 0.000 0.202 251 D C 2.206 178.427 176.300 -0.133 0.000 0.974 251 D CA 0.869 54.789 54.000 -0.133 0.000 0.841 251 D CB -0.209 40.533 40.800 -0.098 0.000 0.953 251 D HN 0.527 nan 8.370 nan 0.000 0.478 252 E N 0.164 120.267 120.200 -0.162 0.000 2.028 252 E HA -0.069 4.282 4.350 0.001 0.000 0.191 252 E C 2.320 178.832 176.600 -0.147 0.000 0.988 252 E CA 0.396 56.693 56.400 -0.173 0.000 0.799 252 E CB -0.006 29.505 29.700 -0.314 0.000 0.755 252 E HN 0.236 nan 8.360 nan 0.000 0.447 253 I N 1.146 121.610 120.570 -0.176 0.000 2.194 253 I HA -0.367 3.804 4.170 0.001 0.000 0.246 253 I C 2.751 178.794 176.117 -0.123 0.000 1.093 253 I CA 1.395 62.609 61.300 -0.142 0.000 1.355 253 I CB -0.320 37.548 38.000 -0.219 0.000 1.046 253 I HN 0.227 nan 8.210 nan 0.000 0.413 254 Q N 0.216 119.917 119.800 -0.165 0.000 2.124 254 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 254 Q C 2.319 178.276 176.000 -0.071 0.000 0.977 254 Q CA 2.061 57.787 55.803 -0.130 0.000 0.850 254 Q CB -0.020 28.631 28.738 -0.146 0.000 0.901 254 Q HN 0.332 nan 8.270 nan 0.000 0.429 255 S N -0.374 115.286 115.700 -0.067 0.000 2.406 255 S HA -0.033 4.438 4.470 0.001 0.000 0.228 255 S C 1.817 176.402 174.600 -0.024 0.000 1.020 255 S CA 0.631 58.806 58.200 -0.042 0.000 0.965 255 S CB -0.145 63.032 63.200 -0.038 0.000 0.798 255 S HN 0.408 nan 8.310 nan 0.000 0.488 256 I N 1.679 122.238 120.570 -0.019 0.000 2.127 256 I HA -0.195 3.975 4.170 0.001 0.000 0.241 256 I C 2.187 178.308 176.117 0.007 0.000 1.075 256 I CA 1.534 62.836 61.300 0.004 0.000 1.334 256 I CB -1.181 36.830 38.000 0.017 0.000 1.040 256 I HN 0.342 nan 8.210 nan 0.000 0.405 257 I N 0.518 121.099 120.570 0.017 0.000 2.286 257 I HA -0.251 3.920 4.170 0.001 0.000 0.248 257 I C 2.720 178.836 176.117 -0.001 0.000 1.115 257 I CA 1.096 62.413 61.300 0.029 0.000 1.392 257 I CB -0.358 37.687 38.000 0.074 0.000 1.065 257 I HN 0.157 nan 8.210 nan 0.000 0.418 258 S N 0.712 116.403 115.700 -0.014 0.000 2.370 258 S HA -0.164 4.306 4.470 0.001 0.000 0.226 258 S C 1.832 176.410 174.600 -0.036 0.000 1.033 258 S CA 1.296 59.481 58.200 -0.026 0.000 1.011 258 S CB -0.345 62.838 63.200 -0.028 0.000 0.852 258 S HN 0.446 nan 8.310 nan 0.000 0.457 259 N N 0.750 119.429 118.700 -0.036 0.000 2.084 259 N HA -0.110 4.631 4.740 0.001 0.000 0.190 259 N C 2.112 177.568 175.510 -0.089 0.000 1.030 259 N CA 1.843 54.857 53.050 -0.059 0.000 0.849 259 N CB -0.746 37.717 38.487 -0.041 0.000 1.012 259 N HN 0.548 nan 8.380 nan 0.000 0.423 260 T N 0.657 115.178 114.554 -0.056 0.000 2.867 260 T HA 0.008 4.358 4.350 0.001 0.000 0.268 260 T C 2.170 176.840 174.700 -0.050 0.000 1.057 260 T CA 0.537 62.604 62.100 -0.054 0.000 1.136 260 T CB -0.114 68.746 68.868 -0.014 0.000 0.874 260 T HN 0.086 nan 8.240 nan 0.000 0.466 261 L N 0.265 121.463 121.223 -0.041 0.000 2.027 261 L HA 0.055 4.396 4.340 0.001 0.000 0.206 261 L C 3.002 179.845 176.870 -0.044 0.000 1.074 261 L CA 1.658 56.475 54.840 -0.038 0.000 0.745 261 L CB -0.466 41.569 42.059 -0.039 0.000 0.898 261 L HN 0.278 nan 8.230 nan 0.000 0.433 262 K N 0.242 120.608 120.400 -0.057 0.000 2.211 262 K HA -0.110 4.210 4.320 0.001 0.000 0.203 262 K C 1.788 178.337 176.600 -0.085 0.000 1.050 262 K CA 1.165 57.417 56.287 -0.058 0.000 0.945 262 K CB 0.098 32.566 32.500 -0.054 0.000 0.732 262 K HN 0.274 nan 8.250 nan 0.000 0.451 263 A N 0.864 123.595 122.820 -0.147 0.000 2.195 263 A HA 0.045 4.366 4.320 0.001 0.000 0.210 263 A C 0.639 178.152 177.584 -0.117 0.000 1.165 263 A CA 0.190 52.075 52.037 -0.252 0.000 0.806 263 A CB -0.189 18.426 19.000 -0.642 0.000 0.847 263 A HN 0.476 nan 8.150 nan 0.000 0.482 264 R N -0.466 119.999 120.500 -0.057 0.000 2.965 264 R HA -0.139 4.201 4.340 0.001 0.000 0.245 264 R C -2.538 173.780 176.300 0.030 0.000 0.861 264 R CA 0.344 56.442 56.100 -0.002 0.000 0.614 264 R CB -1.519 28.790 30.300 0.014 0.000 1.229 264 R HN 0.246 nan 8.270 nan 0.000 0.503 265 P HA -0.019 nan 4.420 nan 0.000 0.268 265 P C -0.547 176.810 177.300 0.094 0.000 1.205 265 P CA -0.352 62.801 63.100 0.088 0.000 0.771 265 P CB 0.580 32.326 31.700 0.076 0.000 0.858 266 L N 5.180 126.472 121.223 0.116 0.000 2.260 266 L HA 0.296 4.637 4.340 0.001 0.000 0.289 266 L C -0.959 175.989 176.870 0.130 0.000 1.057 266 L CA -0.177 54.732 54.840 0.117 0.000 0.811 266 L CB 0.407 42.535 42.059 0.114 0.000 1.184 266 L HN 0.035 nan 8.230 nan 0.000 0.429 267 V N 5.916 125.906 119.914 0.126 0.000 2.311 267 V HA 0.305 4.425 4.120 0.001 0.000 0.275 267 V C 0.221 176.396 176.094 0.136 0.000 1.022 267 V CA -0.520 61.835 62.300 0.092 0.000 0.830 267 V CB 0.838 32.706 31.823 0.073 0.000 1.012 267 V HN 0.859 nan 8.190 nan 0.000 0.452 268 Q N 3.719 123.570 119.800 0.084 0.000 2.286 268 Q HA 0.177 4.518 4.340 0.001 0.000 0.267 268 Q C -0.842 175.159 176.000 0.002 0.000 1.028 268 Q CA -0.170 55.697 55.803 0.107 0.000 0.901 268 Q CB 0.359 29.182 28.738 0.141 0.000 1.183 268 Q HN 0.778 nan 8.270 nan 0.000 0.392 269 H N 4.087 123.165 119.070 0.013 0.000 2.556 269 H HA 0.346 4.903 4.556 0.001 0.000 0.310 269 H C -0.765 174.570 175.328 0.013 0.000 1.057 269 H CA -0.311 55.736 56.048 -0.001 0.000 1.264 269 H CB 0.684 30.450 29.762 0.005 0.000 1.404 269 H HN 0.560 nan 8.280 nan 0.000 0.462 270 I N 3.746 124.356 120.570 0.066 0.000 2.388 270 I HA 0.267 4.438 4.170 0.001 0.000 0.281 270 I C 0.240 176.392 176.117 0.058 0.000 1.046 270 I CA -0.091 61.250 61.300 0.068 0.000 1.187 270 I CB 0.735 38.767 38.000 0.054 0.000 1.351 270 I HN 0.530 nan 8.210 nan 0.000 0.472 271 T N 3.401 118.009 114.554 0.091 0.000 2.731 271 T HA 0.402 4.753 4.350 0.001 0.000 0.300 271 T C -0.450 174.318 174.700 0.112 0.000 1.283 271 T CA -0.738 61.419 62.100 0.095 0.000 1.005 271 T CB 1.075 70.018 68.868 0.124 0.000 1.420 271 T HN 0.569 nan 8.240 nan 0.000 0.503 275 H N 1.561 120.687 119.070 0.093 0.000 2.551 275 H HA 0.244 4.801 4.556 0.001 0.000 0.266 275 H C 2.159 177.532 175.328 0.074 0.000 0.977 275 H CA 1.058 57.179 56.048 0.122 0.000 1.163 275 H CB 0.148 29.964 29.762 0.090 0.000 1.381 275 H HN 0.433 nan 8.280 nan 0.000 0.581 276 Q N 0.954 120.829 119.800 0.124 0.000 1.927 276 Q HA -0.214 4.127 4.340 0.001 0.000 0.210 276 Q C 1.998 178.014 176.000 0.026 0.000 1.001 276 Q CA 1.623 57.458 55.803 0.054 0.000 0.862 276 Q CB -0.615 28.146 28.738 0.038 0.000 0.934 276 Q HN 0.421 nan 8.270 nan 0.000 0.420 277 N N 0.141 118.873 118.700 0.053 0.000 2.043 277 N HA -0.154 4.587 4.740 0.001 0.000 0.193 277 N C 1.523 177.116 175.510 0.139 0.000 1.037 277 N CA 1.018 54.105 53.050 0.061 0.000 0.851 277 N CB -0.434 38.084 38.487 0.052 0.000 1.027 277 N HN 0.121 nan 8.380 nan 0.000 0.422 278 F N 1.052 121.001 119.950 -0.002 0.000 2.069 278 F HA 0.002 4.529 4.527 0.001 0.000 0.298 278 F C 2.259 178.074 175.800 0.025 0.000 1.113 278 F CA 1.764 59.780 58.000 0.027 0.000 1.214 278 F CB -1.116 37.926 39.000 0.070 0.000 0.978 278 F HN 0.112 nan 8.300 nan 0.000 0.474 279 G N -0.659 108.120 108.800 -0.035 0.000 2.442 279 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 279 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 279 G C 1.800 176.535 174.900 -0.275 0.000 1.141 279 G CA 0.930 45.918 45.100 -0.187 0.000 0.763 279 G HN 0.625 nan 8.290 nan 0.000 0.554 280 A N 0.729 123.388 122.820 -0.268 0.000 2.014 280 A HA 0.025 4.345 4.320 0.001 0.000 0.218 280 A C 2.124 179.650 177.584 -0.097 0.000 1.163 280 A CA 1.569 53.458 52.037 -0.246 0.000 0.652 280 A CB -0.398 18.499 19.000 -0.171 0.000 0.808 280 A HN 0.496 nan 8.150 nan 0.000 0.449 281 N N -0.359 118.316 118.700 -0.041 0.000 2.171 281 N HA -0.076 4.665 4.740 0.001 0.000 0.184 281 N C 1.519 177.023 175.510 -0.010 0.000 1.021 281 N CA 1.147 54.204 53.050 0.012 0.000 0.854 281 N CB -0.117 38.434 38.487 0.107 0.000 0.994 281 N HN 0.221 nan 8.380 nan 0.000 0.426 282 V N 0.895 120.754 119.914 -0.091 0.000 2.332 282 V HA -0.237 3.883 4.120 0.001 0.000 0.248 282 V C 2.124 178.205 176.094 -0.021 0.000 1.055 282 V CA 1.772 64.016 62.300 -0.093 0.000 1.038 282 V CB -0.789 30.907 31.823 -0.212 0.000 0.651 282 V HN 0.405 nan 8.190 nan 0.000 0.450 283 T N 0.191 114.738 114.554 -0.012 0.000 2.737 283 T HA -0.122 4.228 4.350 0.001 0.000 0.265 283 T C 1.883 176.608 174.700 0.040 0.000 1.038 283 T CA 1.263 63.388 62.100 0.042 0.000 1.144 283 T CB -0.326 68.597 68.868 0.092 0.000 0.866 283 T HN 0.181 nan 8.240 nan 0.000 0.434 284 L N 1.382 122.620 121.223 0.026 0.000 2.131 284 L HA 0.147 4.488 4.340 0.001 0.000 0.210 284 L C 2.574 179.491 176.870 0.079 0.000 1.092 284 L CA 1.350 56.215 54.840 0.042 0.000 0.759 284 L CB -1.355 40.717 42.059 0.023 0.000 0.903 284 L HN 0.249 nan 8.230 nan 0.000 0.435 285 A N -1.231 121.640 122.820 0.085 0.000 1.968 285 A HA -0.066 4.254 4.320 0.001 0.000 0.217 285 A C 1.954 179.618 177.584 0.134 0.000 1.169 285 A CA 0.860 52.996 52.037 0.165 0.000 0.638 285 A CB -0.528 18.548 19.000 0.128 0.000 0.812 285 A HN 0.406 nan 8.150 nan 0.000 0.446 286 L N -0.225 121.037 121.223 0.064 0.000 2.682 286 L HA 0.190 4.531 4.340 0.001 0.000 0.240 286 L C 1.395 178.279 176.870 0.024 0.000 1.178 286 L CA 0.316 55.173 54.840 0.028 0.000 0.970 286 L CB -0.632 41.441 42.059 0.022 0.000 1.179 286 L HN 0.538 nan 8.230 nan 0.000 0.435 287 G N 0.701 109.530 108.800 0.048 0.000 2.273 287 G HA2 -0.276 3.685 3.960 0.001 0.000 0.280 287 G HA3 -0.276 3.685 3.960 0.001 0.000 0.280 287 G C 0.053 174.973 174.900 0.034 0.000 1.047 287 G CA 0.526 45.651 45.100 0.041 0.000 0.869 287 G HN 0.493 nan 8.290 nan 0.000 0.502 288 S N -1.145 114.581 115.700 0.044 0.000 2.541 288 S HA 0.777 5.248 4.470 0.001 0.000 0.280 288 S C -0.236 174.399 174.600 0.059 0.000 1.112 288 S CA -0.078 58.151 58.200 0.048 0.000 0.925 288 S CB 2.070 65.299 63.200 0.049 0.000 1.067 288 S HN 1.329 nan 8.310 nan 0.000 0.479 289 S N 2.483 118.220 115.700 0.062 0.000 2.499 289 S HA 0.570 5.041 4.470 0.001 0.000 0.275 289 S C -2.625 172.025 174.600 0.082 0.000 1.257 289 S CA -1.072 57.165 58.200 0.061 0.000 1.050 289 S CB 0.155 63.388 63.200 0.055 0.000 0.937 289 S HN 0.645 nan 8.310 nan 0.000 0.490 290 P HA 0.561 nan 4.420 nan 0.000 0.296 290 P C -0.971 176.380 177.300 0.085 0.000 1.301 290 P CA -0.713 62.448 63.100 0.100 0.000 0.862 290 P CB 1.105 32.794 31.700 -0.018 0.000 1.046 291 I N 3.802 124.454 120.570 0.137 0.000 2.545 291 I HA 0.300 4.471 4.170 0.001 0.000 0.292 291 I C 0.937 177.130 176.117 0.126 0.000 1.040 291 I CA -0.956 60.407 61.300 0.106 0.000 1.068 291 I CB 2.484 40.548 38.000 0.106 0.000 1.251 291 I HN 0.149 nan 8.210 nan 0.000 0.424 292 M N 3.902 123.553 119.600 0.086 0.000 2.756 292 M HA 0.134 4.614 4.480 0.001 0.000 0.320 292 M C 0.519 176.868 176.300 0.081 0.000 1.245 292 M CA -0.020 55.334 55.300 0.091 0.000 0.972 292 M CB -0.314 32.318 32.600 0.053 0.000 1.327 292 M HN 0.459 nan 8.290 nan 0.000 0.505 293 S N 1.742 117.493 115.700 0.085 0.000 2.465 293 S HA 0.109 4.580 4.470 0.001 0.000 0.280 293 S C 0.608 175.255 174.600 0.078 0.000 1.232 293 S CA 0.119 58.364 58.200 0.074 0.000 1.066 293 S CB 0.332 63.577 63.200 0.075 0.000 0.929 293 S HN 0.503 nan 8.310 nan 0.000 0.494 294 E N 4.363 124.602 120.200 0.065 0.000 2.499 294 E HA 0.265 4.615 4.350 0.001 0.000 0.207 294 E C -0.643 175.989 176.600 0.053 0.000 1.034 294 E CA -0.072 56.366 56.400 0.063 0.000 1.098 294 E CB 0.351 30.086 29.700 0.059 0.000 1.148 294 E HN 0.643 nan 8.360 nan 0.000 0.447 295 I N 1.677 122.278 120.570 0.051 0.000 2.315 295 I HA 0.034 4.205 4.170 0.001 0.000 0.291 295 I C 1.507 177.647 176.117 0.037 0.000 1.006 295 I CA -0.165 61.158 61.300 0.039 0.000 1.265 295 I CB 1.360 39.381 38.000 0.034 0.000 1.387 295 I HN 0.084 nan 8.210 nan 0.000 0.475 296 Q N 2.731 122.547 119.800 0.027 0.000 2.084 296 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 296 Q C 2.083 178.089 176.000 0.011 0.000 0.978 296 Q CA 2.123 57.937 55.803 0.018 0.000 0.844 296 Q CB 0.148 28.889 28.738 0.006 0.000 0.898 296 Q HN 0.886 nan 8.270 nan 0.000 0.426 297 S N 0.640 116.344 115.700 0.007 0.000 2.382 297 S HA -0.153 4.317 4.470 0.001 0.000 0.228 297 S C 1.626 176.228 174.600 0.002 0.000 1.027 297 S CA 0.968 59.168 58.200 0.000 0.000 0.991 297 S CB -0.260 62.941 63.200 0.000 0.000 0.823 297 S HN 0.339 nan 8.310 nan 0.000 0.469 298 E N 0.735 120.942 120.200 0.013 0.000 2.150 298 E HA -0.045 4.306 4.350 0.001 0.000 0.193 298 E C 1.985 178.593 176.600 0.014 0.000 0.985 298 E CA 0.670 57.080 56.400 0.016 0.000 0.814 298 E CB -0.270 29.448 29.700 0.030 0.000 0.752 298 E HN 0.297 nan 8.360 nan 0.000 0.466 299 V N 2.028 121.958 119.914 0.026 0.000 2.370 299 V HA -0.322 3.798 4.120 0.001 0.000 0.252 299 V C 1.989 178.064 176.094 -0.032 0.000 1.068 299 V CA 1.758 64.083 62.300 0.041 0.000 1.061 299 V CB -0.368 31.494 31.823 0.066 0.000 0.656 299 V HN 0.330 nan 8.190 nan 0.000 0.455 300 N N -0.275 118.397 118.700 -0.048 0.000 2.207 300 N HA -0.106 4.634 4.740 0.001 0.000 0.182 300 N C 1.515 176.966 175.510 -0.097 0.000 1.020 300 N CA 1.464 54.460 53.050 -0.089 0.000 0.858 300 N CB -0.303 38.144 38.487 -0.066 0.000 0.991 300 N HN 0.521 nan 8.380 nan 0.000 0.427 301 D N 0.801 121.166 120.400 -0.058 0.000 2.144 301 D HA -0.125 4.516 4.640 0.001 0.000 0.199 301 D C 1.969 178.237 176.300 -0.053 0.000 0.984 301 D CA 0.415 54.387 54.000 -0.047 0.000 0.834 301 D CB -0.137 40.649 40.800 -0.023 0.000 0.955 301 D HN 0.119 nan 8.370 nan 0.000 0.465 302 L N 1.138 122.333 121.223 -0.047 0.000 2.027 302 L HA -0.018 4.322 4.340 0.001 0.000 0.206 302 L C 2.270 179.083 176.870 -0.096 0.000 1.074 302 L CA 1.268 56.096 54.840 -0.020 0.000 0.745 302 L CB -1.081 41.007 42.059 0.048 0.000 0.898 302 L HN -0.045 nan 8.230 nan 0.000 0.433 303 A N -1.477 121.161 122.820 -0.303 0.000 2.209 303 A HA 0.129 4.450 4.320 0.001 0.000 0.212 303 A C 2.281 179.687 177.584 -0.298 0.000 1.158 303 A CA 1.111 52.785 52.037 -0.605 0.000 0.742 303 A CB -0.630 17.621 19.000 -1.249 0.000 0.790 303 A HN 0.401 nan 8.150 nan 0.000 0.472 304 A N -0.178 122.538 122.820 -0.173 0.000 1.975 304 A HA 0.270 4.591 4.320 0.001 0.000 0.215 304 A C 0.957 178.499 177.584 -0.069 0.000 1.170 304 A CA 0.024 51.995 52.037 -0.109 0.000 0.656 304 A CB -0.336 18.615 19.000 -0.081 0.000 0.821 304 A HN 0.436 nan 8.150 nan 0.000 0.449 305 I N 1.549 122.092 120.570 -0.045 0.000 2.775 305 I HA 0.026 4.197 4.170 0.001 0.000 0.290 305 I C -2.054 174.063 176.117 -0.000 0.000 1.203 305 I CA -1.325 59.971 61.300 -0.007 0.000 1.433 305 I CB 0.532 38.544 38.000 0.021 0.000 1.354 305 I HN 0.119 nan 8.210 nan 0.000 0.579 306 P HA 0.010 nan 4.420 nan 0.000 0.267 306 P C -0.576 176.763 177.300 0.066 0.000 1.200 306 P CA 0.140 63.228 63.100 -0.019 0.000 0.772 306 P CB 0.166 31.883 31.700 0.029 0.000 0.855 307 H N -1.457 117.631 119.070 0.031 0.000 2.557 307 H HA -0.145 4.412 4.556 0.001 0.000 0.319 307 H C 0.408 175.777 175.328 0.069 0.000 1.102 307 H CA 0.467 56.541 56.048 0.044 0.000 1.126 307 H CB -1.737 28.047 29.762 0.036 0.000 1.498 307 H HN 0.495 nan 8.280 nan 0.000 0.411 308 A N 0.353 123.260 122.820 0.145 0.000 2.271 308 A HA 0.735 5.056 4.320 0.001 0.000 0.288 308 A C 0.573 178.319 177.584 0.270 0.000 1.094 308 A CA 0.350 52.505 52.037 0.197 0.000 0.828 308 A CB 1.066 20.166 19.000 0.168 0.000 1.091 308 A HN 0.311 nan 8.150 nan 0.000 0.493 309 T N 0.590 115.321 114.554 0.296 0.000 3.097 309 T HA 0.422 4.772 4.350 0.001 0.000 0.332 309 T C -1.480 173.137 174.700 -0.138 0.000 1.269 309 T CA -0.349 61.822 62.100 0.118 0.000 1.076 309 T CB 1.132 70.033 68.868 0.055 0.000 1.209 309 T HN 0.686 nan 8.240 nan 0.000 0.474 310 L N 3.897 124.853 121.223 -0.445 0.000 2.287 310 L HA 0.686 5.027 4.340 0.001 0.000 0.287 310 L C -1.049 175.636 176.870 -0.309 0.000 1.022 310 L CA -0.711 53.769 54.840 -0.599 0.000 0.814 310 L CB 0.960 42.385 42.059 -1.057 0.000 1.217 310 L HN 0.588 nan 8.230 nan 0.000 0.420 311 L N 6.815 127.855 121.223 -0.306 0.000 2.296 311 L HA 0.520 4.861 4.340 0.001 0.000 0.286 311 L C -1.594 175.145 176.870 -0.217 0.000 1.023 311 L CA -0.555 54.104 54.840 -0.301 0.000 0.812 311 L CB 1.604 43.354 42.059 -0.516 0.000 1.223 311 L HN 0.695 nan 8.230 nan 0.000 0.421 312 L N 5.122 126.245 121.223 -0.166 0.000 2.372 312 L HA 0.423 4.764 4.340 0.001 0.000 0.274 312 L C -0.897 175.860 176.870 -0.188 0.000 0.988 312 L CA -0.416 54.371 54.840 -0.088 0.000 0.833 312 L CB 1.947 44.038 42.059 0.054 0.000 1.236 312 L HN 0.651 nan 8.230 nan 0.000 0.410 313 N N 1.142 119.759 118.700 -0.139 0.000 2.443 313 N HA 0.478 5.219 4.740 0.001 0.000 0.295 313 N C -0.638 174.805 175.510 -0.111 0.000 1.076 313 N CA -0.267 52.671 53.050 -0.187 0.000 0.919 313 N CB 1.854 40.278 38.487 -0.105 0.000 1.176 313 N HN 0.396 nan 8.380 nan 0.000 0.487 314 T N -0.030 114.424 114.554 -0.168 0.000 2.874 314 T HA 0.485 4.836 4.350 0.001 0.000 0.281 314 T C 1.130 175.822 174.700 -0.014 0.000 0.994 314 T CA 0.366 62.435 62.100 -0.051 0.000 1.015 314 T CB 0.953 69.783 68.868 -0.063 0.000 1.028 314 T HN 0.711 nan 8.240 nan 0.000 0.523 315 G N 1.130 109.945 108.800 0.026 0.000 2.148 315 G HA2 -0.263 3.698 3.960 0.001 0.000 0.254 315 G HA3 -0.263 3.698 3.960 0.001 0.000 0.254 315 G C 0.380 175.308 174.900 0.048 0.000 0.981 315 G CA 0.397 45.520 45.100 0.039 0.000 0.670 315 G HN 0.922 nan 8.290 nan 0.000 0.528 316 S N -1.348 114.381 115.700 0.049 0.000 2.600 316 S HA 0.438 4.908 4.470 0.001 0.000 0.265 316 S C 1.604 176.239 174.600 0.057 0.000 1.325 316 S CA 0.497 58.731 58.200 0.057 0.000 1.002 316 S CB 1.644 64.880 63.200 0.060 0.000 0.921 316 S HN 1.377 nan 8.310 nan 0.000 0.554 317 V N 2.896 122.843 119.914 0.055 0.000 3.406 317 V HA 0.419 4.539 4.120 0.001 0.000 0.263 317 V C 0.901 177.026 176.094 0.053 0.000 1.172 317 V CA 0.929 63.259 62.300 0.049 0.000 1.140 317 V CB -0.864 30.984 31.823 0.042 0.000 0.784 317 V HN 0.919 nan 8.190 nan 0.000 0.467 318 A N 1.850 124.706 122.820 0.061 0.000 2.407 318 A HA 0.628 4.948 4.320 0.001 0.000 0.248 318 A C -2.374 175.253 177.584 0.071 0.000 1.082 318 A CA -1.083 50.992 52.037 0.063 0.000 0.785 318 A CB -0.217 18.824 19.000 0.069 0.000 1.020 318 A HN 0.453 nan 8.150 nan 0.000 0.489 319 P HA 0.257 nan 4.420 nan 0.000 0.276 319 P C -2.106 175.247 177.300 0.088 0.000 1.230 319 P CA -1.398 61.742 63.100 0.067 0.000 0.776 319 P CB 0.301 32.029 31.700 0.047 0.000 0.888 320 P HA -0.310 nan 4.420 nan 0.000 0.219 320 P C 1.630 178.983 177.300 0.089 0.000 1.158 320 P CA 2.591 65.807 63.100 0.193 0.000 0.895 320 P CB -0.469 31.364 31.700 0.223 0.000 0.792 321 E N -0.502 119.712 120.200 0.024 0.000 2.219 321 E HA -0.261 4.090 4.350 0.001 0.000 0.198 321 E C 1.720 178.275 176.600 -0.075 0.000 0.998 321 E CA 2.222 58.587 56.400 -0.059 0.000 0.818 321 E CB -1.443 28.238 29.700 -0.031 0.000 0.741 321 E HN 0.484 nan 8.360 nan 0.000 0.477 322 M N -1.147 118.445 119.600 -0.013 0.000 2.447 322 M HA 0.265 4.745 4.480 0.001 0.000 0.266 322 M C 2.170 178.485 176.300 0.024 0.000 1.120 322 M CA 1.010 56.311 55.300 0.002 0.000 1.166 322 M CB 0.155 32.772 32.600 0.029 0.000 1.349 322 M HN 0.188 nan 8.290 nan 0.000 0.463 323 L N 0.640 121.905 121.223 0.070 0.000 2.012 323 L HA -0.191 4.150 4.340 0.001 0.000 0.210 323 L C 2.744 179.666 176.870 0.086 0.000 1.073 323 L CA 1.948 56.872 54.840 0.141 0.000 0.748 323 L CB -1.066 41.142 42.059 0.249 0.000 0.891 323 L HN 0.456 nan 8.230 nan 0.000 0.431 324 K N 0.473 120.773 120.400 -0.167 0.000 2.020 324 K HA -0.255 4.066 4.320 0.001 0.000 0.212 324 K C 2.168 178.617 176.600 -0.252 0.000 1.050 324 K CA 1.673 57.593 56.287 -0.612 0.000 0.929 324 K CB -0.211 31.514 32.500 -1.292 0.000 0.714 324 K HN 0.274 nan 8.250 nan 0.000 0.443 325 A N 0.754 123.474 122.820 -0.167 0.000 1.927 325 A HA -0.216 4.105 4.320 0.001 0.000 0.220 325 A C 2.272 179.854 177.584 -0.002 0.000 1.185 325 A CA 2.348 54.336 52.037 -0.082 0.000 0.639 325 A CB -0.820 18.150 19.000 -0.050 0.000 0.820 325 A HN 0.566 nan 8.150 nan 0.000 0.451 326 A N -0.418 122.437 122.820 0.059 0.000 1.850 326 A HA 0.120 4.441 4.320 0.001 0.000 0.212 326 A C 2.067 179.789 177.584 0.230 0.000 1.208 326 A CA 1.029 53.169 52.037 0.172 0.000 0.609 326 A CB -0.600 18.510 19.000 0.183 0.000 0.860 326 A HN 0.425 nan 8.150 nan 0.000 0.448 327 I N -0.327 120.346 120.570 0.171 0.000 2.181 327 I HA -0.367 3.804 4.170 0.001 0.000 0.247 327 I C 2.725 178.908 176.117 0.109 0.000 1.081 327 I CA 2.167 63.565 61.300 0.164 0.000 1.340 327 I CB -0.287 37.824 38.000 0.184 0.000 1.036 327 I HN 0.399 nan 8.210 nan 0.000 0.417 328 R N 1.462 121.990 120.500 0.047 0.000 2.062 328 R HA -0.118 4.223 4.340 0.001 0.000 0.231 328 R C 2.327 178.653 176.300 0.044 0.000 1.136 328 R CA 1.799 57.904 56.100 0.009 0.000 0.948 328 R CB -0.675 29.589 30.300 -0.060 0.000 0.845 328 R HN 0.310 nan 8.270 nan 0.000 0.430 329 A N -0.454 122.399 122.820 0.055 0.000 1.948 329 A HA -0.210 4.110 4.320 0.001 0.000 0.220 329 A C 2.043 179.605 177.584 -0.037 0.000 1.177 329 A CA 1.723 53.760 52.037 0.000 0.000 0.636 329 A CB -0.891 18.102 19.000 -0.011 0.000 0.815 329 A HN 0.560 nan 8.150 nan 0.000 0.449 330 Y N -0.421 119.892 120.300 0.021 0.000 2.286 330 Y HA -0.070 4.481 4.550 0.001 0.000 0.293 330 Y C 2.337 178.260 175.900 0.038 0.000 1.124 330 Y CA 1.466 59.587 58.100 0.035 0.000 1.178 330 Y CB -0.485 38.010 38.460 0.059 0.000 1.010 330 Y HN 0.410 nan 8.280 nan 0.000 0.536 331 N N -0.098 118.709 118.700 0.178 0.000 2.223 331 N HA -0.183 4.558 4.740 0.001 0.000 0.185 331 N C 1.025 176.592 175.510 0.095 0.000 1.016 331 N CA 1.081 54.209 53.050 0.131 0.000 0.863 331 N CB -0.071 38.476 38.487 0.101 0.000 0.983 331 N HN 0.274 nan 8.380 nan 0.000 0.429 332 D N 0.273 120.704 120.400 0.051 0.000 2.117 332 D HA -0.083 4.558 4.640 0.001 0.000 0.197 332 D C 1.601 177.906 176.300 0.008 0.000 0.987 332 D CA 0.895 54.907 54.000 0.020 0.000 0.829 332 D CB -0.122 40.670 40.800 -0.014 0.000 0.961 332 D HN 0.059 nan 8.370 nan 0.000 0.460 333 V N 0.147 120.052 119.914 -0.015 0.000 3.623 333 V HA 0.033 4.154 4.120 0.001 0.000 0.271 333 V C 0.641 176.729 176.094 -0.009 0.000 1.248 333 V CA 0.101 62.380 62.300 -0.036 0.000 1.156 333 V CB -0.789 30.977 31.823 -0.096 0.000 0.870 333 V HN 0.267 nan 8.190 nan 0.000 0.453 334 K N 0.007 120.425 120.400 0.029 0.000 3.129 334 K HA -0.185 4.136 4.320 0.001 0.000 0.273 334 K C 0.325 176.947 176.600 0.038 0.000 1.123 334 K CA 0.434 56.738 56.287 0.028 0.000 0.800 334 K CB -0.639 31.852 32.500 -0.015 0.000 1.238 334 K HN 0.385 nan 8.250 nan 0.000 0.492 335 R N -0.025 120.536 120.500 0.103 0.000 2.596 335 R HA 0.371 4.712 4.340 0.001 0.000 0.267 335 R C -2.520 173.912 176.300 0.220 0.000 1.026 335 R CA -2.101 54.096 56.100 0.161 0.000 1.087 335 R CB 0.619 31.058 30.300 0.232 0.000 1.132 335 R HN -0.120 nan 8.270 nan 0.000 0.531 336 P HA 0.333 nan 4.420 nan 0.000 0.286 336 P C -0.484 176.883 177.300 0.113 0.000 1.269 336 P CA -0.102 63.094 63.100 0.159 0.000 0.787 336 P CB 0.595 32.366 31.700 0.117 0.000 0.920 337 I N 2.810 123.474 120.570 0.156 0.000 2.354 337 I HA 0.314 4.484 4.170 0.001 0.000 0.292 337 I C -0.226 175.984 176.117 0.154 0.000 0.989 337 I CA -1.064 60.312 61.300 0.127 0.000 1.188 337 I CB 1.844 40.031 38.000 0.312 0.000 1.342 337 I HN -0.043 nan 8.210 nan 0.000 0.457 338 V N 6.691 126.620 119.914 0.025 0.000 2.370 338 V HA 0.294 4.415 4.120 0.001 0.000 0.283 338 V C -0.582 175.458 176.094 -0.089 0.000 1.023 338 V CA -0.538 61.752 62.300 -0.016 0.000 0.857 338 V CB 1.477 33.256 31.823 -0.074 0.000 0.985 338 V HN 0.411 nan 8.190 nan 0.000 0.443 339 F N 4.599 124.330 119.950 -0.365 0.000 2.411 339 F HA 0.583 5.110 4.527 0.001 0.000 0.352 339 F C -0.154 175.411 175.800 -0.392 0.000 1.123 339 F CA -0.972 56.684 58.000 -0.574 0.000 1.044 339 F CB 1.344 39.651 39.000 -1.156 0.000 1.135 339 F HN 0.491 nan 8.300 nan 0.000 0.461 340 D N 8.405 128.272 120.400 -0.889 0.000 2.438 340 D HA 0.343 4.984 4.640 0.001 0.000 0.257 340 D C -2.900 172.855 176.300 -0.908 0.000 1.148 340 D CA -2.405 51.161 54.000 -0.722 0.000 0.902 340 D CB 1.478 42.009 40.800 -0.449 0.000 1.062 340 D HN 0.157 nan 8.370 nan 0.000 0.518 341 P HA 0.101 nan 4.420 nan 0.000 0.273 341 P C 0.063 177.179 177.300 -0.306 0.000 1.428 341 P CA -0.261 62.420 63.100 -0.698 0.000 0.995 341 P CB 0.802 32.161 31.700 -0.569 0.000 1.286 342 V N 2.083 121.861 119.914 -0.227 0.000 2.966 342 V HA 0.508 4.629 4.120 0.001 0.000 0.378 342 V C 1.401 177.481 176.094 -0.024 0.000 1.279 342 V CA 0.196 62.435 62.300 -0.102 0.000 1.439 342 V CB -0.107 31.663 31.823 -0.088 0.000 1.451 342 V HN 0.640 nan 8.190 nan 0.000 0.570 343 G N -1.783 107.025 108.800 0.013 0.000 3.988 343 G HA2 0.058 4.018 3.960 0.001 0.000 0.195 343 G HA3 0.058 4.018 3.960 0.001 0.000 0.195 343 G C -0.048 174.924 174.900 0.121 0.000 1.060 343 G CA -0.170 44.964 45.100 0.056 0.000 0.847 343 G HN 0.262 nan 8.290 nan 0.000 0.515 348 E N 1.336 121.533 120.200 -0.004 0.000 2.164 348 E HA -0.210 4.140 4.350 0.001 0.000 0.206 348 E C 1.885 178.496 176.600 0.018 0.000 1.032 348 E CA 2.536 58.936 56.400 0.000 0.000 0.832 348 E CB -0.536 29.166 29.700 0.002 0.000 0.742 348 E HN 0.823 nan 8.360 nan 0.000 0.460 349 T N 0.223 114.792 114.554 0.025 0.000 2.788 349 T HA -0.130 4.221 4.350 0.001 0.000 0.268 349 T C 1.993 176.724 174.700 0.052 0.000 1.044 349 T CA 1.272 63.395 62.100 0.037 0.000 1.139 349 T CB -0.088 68.800 68.868 0.035 0.000 0.867 349 T HN 0.147 nan 8.240 nan 0.000 0.454 350 R N -0.011 120.522 120.500 0.055 0.000 2.062 350 R HA 0.139 4.479 4.340 0.001 0.000 0.226 350 R C 2.413 178.791 176.300 0.129 0.000 1.125 350 R CA 0.627 56.776 56.100 0.081 0.000 0.966 350 R CB -0.534 29.809 30.300 0.072 0.000 0.861 350 R HN 0.232 nan 8.270 nan 0.000 0.433 351 L N 1.059 122.342 121.223 0.099 0.000 1.997 351 L HA -0.262 4.079 4.340 0.001 0.000 0.216 351 L C 2.014 178.981 176.870 0.160 0.000 1.074 351 L CA 1.760 56.665 54.840 0.108 0.000 0.763 351 L CB -0.542 41.485 42.059 -0.055 0.000 0.890 351 L HN 0.200 nan 8.230 nan 0.000 0.434 352 L N -0.913 120.365 121.223 0.090 0.000 1.989 352 L HA -0.226 4.115 4.340 0.001 0.000 0.211 352 L C 2.585 179.500 176.870 0.074 0.000 1.071 352 L CA 2.166 57.051 54.840 0.076 0.000 0.749 352 L CB -1.155 40.937 42.059 0.056 0.000 0.890 352 L HN 0.487 nan 8.230 nan 0.000 0.431 353 L N 0.404 121.675 121.223 0.080 0.000 2.046 353 L HA -0.198 4.142 4.340 0.001 0.000 0.208 353 L C 2.202 179.100 176.870 0.047 0.000 1.077 353 L CA 1.681 56.561 54.840 0.068 0.000 0.747 353 L CB -0.926 41.184 42.059 0.085 0.000 0.896 353 L HN 0.271 nan 8.230 nan 0.000 0.432 354 N N 0.449 119.212 118.700 0.105 0.000 2.058 354 N HA -0.189 4.552 4.740 0.001 0.000 0.191 354 N C 1.643 177.118 175.510 -0.059 0.000 1.037 354 N CA 1.988 55.085 53.050 0.079 0.000 0.848 354 N CB -0.710 37.831 38.487 0.089 0.000 1.021 354 N HN 0.541 nan 8.380 nan 0.000 0.422 355 N N 0.408 119.134 118.700 0.043 0.000 2.205 355 N HA -0.145 4.596 4.740 0.001 0.000 0.186 355 N C 1.612 177.044 175.510 -0.130 0.000 1.015 355 N CA 0.782 53.834 53.050 0.003 0.000 0.862 355 N CB 0.011 38.566 38.487 0.113 0.000 0.986 355 N HN 0.296 nan 8.380 nan 0.000 0.429 356 K N 1.087 121.381 120.400 -0.177 0.000 2.062 356 K HA -0.024 4.297 4.320 0.001 0.000 0.205 356 K C 1.842 177.876 176.600 -0.943 0.000 1.051 356 K CA 0.703 56.764 56.287 -0.378 0.000 0.941 356 K CB 0.067 32.443 32.500 -0.206 0.000 0.719 356 K HN 0.121 nan 8.250 nan 0.000 0.440 357 L N 0.816 121.628 121.223 -0.684 0.000 2.093 357 L HA -0.144 4.197 4.340 0.001 0.000 0.208 357 L C 2.069 178.664 176.870 -0.459 0.000 1.085 357 L CA 0.849 55.287 54.840 -0.671 0.000 0.755 357 L CB -0.256 41.666 42.059 -0.229 0.000 0.904 357 L HN 0.202 nan 8.230 nan 0.000 0.435 358 L N -0.246 120.745 121.223 -0.386 0.000 2.633 358 L HA -0.106 4.235 4.340 0.001 0.000 0.235 358 L C 1.953 178.738 176.870 -0.142 0.000 1.163 358 L CA 1.162 55.860 54.840 -0.237 0.000 0.859 358 L CB -0.624 41.226 42.059 -0.348 0.000 0.973 358 L HN 0.450 nan 8.230 nan 0.000 0.451 359 T N -6.088 108.355 114.554 -0.186 0.000 3.085 359 T HA 0.141 4.492 4.350 0.001 0.000 0.264 359 T C 1.211 176.013 174.700 0.170 0.000 1.019 359 T CA -0.230 61.894 62.100 0.040 0.000 0.910 359 T CB -0.239 68.694 68.868 0.108 0.000 1.059 359 T HN 0.172 nan 8.240 nan 0.000 0.542 360 F N 1.716 121.634 119.950 -0.052 0.000 2.512 360 F HA 0.451 4.979 4.527 0.002 0.000 0.296 360 F C 1.738 177.417 175.800 -0.202 0.000 1.110 360 F CA -0.049 57.888 58.000 -0.106 0.000 1.446 360 F CB 0.458 39.424 39.000 -0.056 0.000 1.092 360 F HN 0.525 nan 8.300 nan 0.000 0.554 361 G N -0.806 107.895 108.800 -0.166 0.000 2.490 361 G HA2 0.230 4.190 3.960 0.001 0.000 0.308 361 G HA3 0.230 4.190 3.960 0.001 0.000 0.308 361 G C -1.955 172.596 174.900 -0.581 0.000 1.286 361 G CA -0.586 44.332 45.100 -0.303 0.000 0.825 361 G HN -0.268 nan 8.290 nan 0.000 0.479 362 Q N 0.154 119.667 119.800 -0.478 0.000 2.325 362 Q HA 0.523 4.864 4.340 0.001 0.000 0.262 362 Q C -1.266 174.389 176.000 -0.575 0.000 0.968 362 Q CA -0.361 55.123 55.803 -0.531 0.000 0.877 362 Q CB 1.306 29.790 28.738 -0.424 0.000 1.253 362 Q HN 0.358 nan 8.270 nan 0.000 0.448 363 F N 0.539 120.375 119.950 -0.190 0.000 2.408 363 F HA 0.189 4.717 4.527 0.001 0.000 0.344 363 F C 1.659 177.462 175.800 0.006 0.000 1.112 363 F CA -0.373 57.579 58.000 -0.079 0.000 1.096 363 F CB 1.360 40.307 39.000 -0.088 0.000 1.129 363 F HN 0.460 nan 8.300 nan 0.000 0.486 364 S N 0.803 116.714 115.700 0.353 0.000 2.406 364 S HA -0.091 4.380 4.470 0.001 0.000 0.228 364 S C 0.186 174.952 174.600 0.278 0.000 1.020 364 S CA 0.393 58.831 58.200 0.397 0.000 0.965 364 S CB 0.013 63.408 63.200 0.325 0.000 0.798 364 S HN 0.687 nan 8.310 nan 0.000 0.488 365 C N 1.183 120.616 119.300 0.222 0.000 2.752 365 C HA 0.606 5.067 4.460 0.001 0.000 0.360 365 C C -1.370 173.678 174.990 0.096 0.000 1.081 365 C CA -1.194 57.915 59.018 0.153 0.000 1.272 365 C CB -0.112 27.692 27.740 0.106 0.000 1.754 365 C HN 0.391 nan 8.230 nan 0.000 0.483 366 I N 5.587 126.210 120.570 0.089 0.000 2.354 366 I HA 0.465 4.636 4.170 0.001 0.000 0.292 366 I C -0.155 175.956 176.117 -0.010 0.000 0.989 366 I CA -0.192 61.125 61.300 0.028 0.000 1.188 366 I CB 1.372 39.404 38.000 0.054 0.000 1.342 366 I HN 0.572 nan 8.210 nan 0.000 0.457 367 K N 5.403 125.742 120.400 -0.101 0.000 2.376 367 K HA 0.772 5.093 4.320 0.001 0.000 0.257 367 K C -0.847 175.673 176.600 -0.133 0.000 0.939 367 K CA -0.364 55.862 56.287 -0.102 0.000 0.809 367 K CB 2.123 34.538 32.500 -0.140 0.000 1.121 367 K HN 0.860 nan 8.250 nan 0.000 0.425 368 G N 1.972 110.733 108.800 -0.065 0.000 2.645 368 G HA2 0.308 4.269 3.960 0.001 0.000 0.292 368 G HA3 0.308 4.269 3.960 0.001 0.000 0.292 368 G C -1.632 173.268 174.900 -0.001 0.000 1.415 368 G CA -0.809 44.258 45.100 -0.054 0.000 0.785 368 G HN 0.712 nan 8.290 nan 0.000 0.483 369 N N -1.430 117.279 118.700 0.015 0.000 2.402 369 N HA 0.341 5.082 4.740 0.001 0.000 0.294 369 N C 1.486 177.038 175.510 0.071 0.000 1.203 369 N CA 0.234 53.313 53.050 0.047 0.000 0.838 369 N CB 1.536 40.043 38.487 0.034 0.000 1.306 369 N HN 0.863 nan 8.380 nan 0.000 0.510 370 S N 1.294 117.050 115.700 0.092 0.000 2.570 370 S HA -0.378 4.093 4.470 0.001 0.000 0.328 370 S C 1.693 176.340 174.600 0.079 0.000 1.282 370 S CA 2.496 60.753 58.200 0.095 0.000 1.204 370 S CB -1.514 61.739 63.200 0.088 0.000 1.271 370 S HN 0.663 nan 8.310 nan 0.000 0.449 371 S N 2.379 118.117 115.700 0.064 0.000 2.343 371 S HA -0.129 4.342 4.470 0.001 0.000 0.219 371 S C 2.010 176.659 174.600 0.082 0.000 1.033 371 S CA 1.522 59.757 58.200 0.058 0.000 1.014 371 S CB -0.653 62.573 63.200 0.043 0.000 0.915 371 S HN 0.784 nan 8.310 nan 0.000 0.435 372 E N 0.662 120.915 120.200 0.088 0.000 2.110 372 E HA -0.103 4.247 4.350 0.001 0.000 0.193 372 E C 1.857 178.552 176.600 0.157 0.000 0.988 372 E CA 0.850 57.330 56.400 0.132 0.000 0.804 372 E CB -0.202 29.535 29.700 0.062 0.000 0.745 372 E HN 0.363 nan 8.360 nan 0.000 0.458 373 I N 0.935 121.574 120.570 0.115 0.000 2.333 373 I HA -0.163 4.008 4.170 0.001 0.000 0.246 373 I C 2.352 178.551 176.117 0.137 0.000 1.106 373 I CA 0.992 62.367 61.300 0.124 0.000 1.411 373 I CB -0.738 37.331 38.000 0.115 0.000 1.082 373 I HN 0.158 nan 8.210 nan 0.000 0.420 374 L N 0.424 121.714 121.223 0.113 0.000 2.046 374 L HA -0.122 4.218 4.340 0.001 0.000 0.208 374 L C 2.672 179.610 176.870 0.114 0.000 1.077 374 L CA 1.550 56.446 54.840 0.094 0.000 0.747 374 L CB -1.165 40.933 42.059 0.064 0.000 0.896 374 L HN 0.263 nan 8.230 nan 0.000 0.432 375 G N 0.079 108.958 108.800 0.132 0.000 2.446 375 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 375 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 375 G C 1.648 176.739 174.900 0.317 0.000 1.168 375 G CA 0.588 45.761 45.100 0.123 0.000 0.771 375 G HN 0.223 nan 8.290 nan 0.000 0.551 376 L N 0.529 122.033 121.223 0.469 0.000 2.141 376 L HA 0.001 4.341 4.340 0.001 0.000 0.209 376 L C 3.213 180.297 176.870 0.358 0.000 1.094 376 L CA 0.895 56.020 54.840 0.475 0.000 0.763 376 L CB -0.133 42.053 42.059 0.212 0.000 0.908 376 L HN 0.329 nan 8.230 nan 0.000 0.437 377 A N -1.038 121.924 122.820 0.236 0.000 2.123 377 A HA -0.063 4.258 4.320 0.001 0.000 0.214 377 A C 0.697 178.352 177.584 0.118 0.000 1.152 377 A CA 0.226 52.357 52.037 0.158 0.000 0.728 377 A CB -0.094 18.972 19.000 0.110 0.000 0.814 377 A HN 0.502 nan 8.150 nan 0.000 0.464 378 E N -2.359 117.920 120.200 0.130 0.000 2.271 378 E HA -0.166 4.185 4.350 0.001 0.000 0.215 378 E C 0.360 176.988 176.600 0.048 0.000 1.256 378 E CA 0.023 56.472 56.400 0.083 0.000 0.678 378 E CB -2.751 26.995 29.700 0.077 0.000 1.187 378 E HN 1.055 nan 8.360 nan 0.000 0.392 395 N N -0.225 118.464 118.700 -0.018 0.000 2.324 395 N HA 0.309 5.050 4.740 0.001 0.000 0.235 395 N C 0.945 176.355 175.510 -0.166 0.000 1.162 395 N CA 0.644 53.668 53.050 -0.043 0.000 0.834 395 N CB 0.274 38.724 38.487 -0.062 0.000 1.354 395 N HN 0.568 nan 8.380 nan 0.000 0.471 396 E N 0.232 120.347 120.200 -0.142 0.000 2.208 396 E HA -0.081 4.269 4.350 0.001 0.000 0.193 396 E C 1.415 177.914 176.600 -0.168 0.000 0.988 396 E CA 0.506 56.802 56.400 -0.174 0.000 0.828 396 E CB 0.168 29.802 29.700 -0.110 0.000 0.763 396 E HN 0.181 nan 8.360 nan 0.000 0.478 397 L N 1.014 122.169 121.223 -0.112 0.000 2.027 397 L HA -0.132 4.209 4.340 0.001 0.000 0.206 397 L C 1.987 178.801 176.870 -0.094 0.000 1.074 397 L CA 1.481 56.273 54.840 -0.079 0.000 0.745 397 L CB -0.278 41.759 42.059 -0.036 0.000 0.898 397 L HN 0.121 nan 8.230 nan 0.000 0.433 398 L N -0.903 120.257 121.223 -0.105 0.000 2.079 398 L HA -0.274 4.067 4.340 0.001 0.000 0.210 398 L C 2.542 179.257 176.870 -0.257 0.000 1.081 398 L CA 1.452 56.239 54.840 -0.088 0.000 0.752 398 L CB -0.536 41.554 42.059 0.052 0.000 0.896 398 L HN 0.327 nan 8.230 nan 0.000 0.433 399 I N -0.689 119.565 120.570 -0.526 0.000 2.202 399 I HA -0.316 3.855 4.170 0.001 0.000 0.242 399 I C 2.668 178.651 176.117 -0.223 0.000 1.091 399 I CA 1.356 62.325 61.300 -0.551 0.000 1.368 399 I CB -0.428 37.219 38.000 -0.587 0.000 1.058 399 I HN 0.446 nan 8.210 nan 0.000 0.410 400 Q N 1.043 120.745 119.800 -0.163 0.000 2.050 400 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 400 Q C 2.341 178.314 176.000 -0.044 0.000 0.980 400 Q CA 2.100 57.850 55.803 -0.088 0.000 0.840 400 Q CB -0.032 28.661 28.738 -0.074 0.000 0.898 400 Q HN 0.535 nan 8.270 nan 0.000 0.424 401 A N -0.047 122.755 122.820 -0.030 0.000 1.902 401 A HA -0.167 4.154 4.320 0.001 0.000 0.217 401 A C 2.216 179.833 177.584 0.054 0.000 1.181 401 A CA 1.942 53.992 52.037 0.022 0.000 0.623 401 A CB -0.974 18.049 19.000 0.038 0.000 0.818 401 A HN 0.467 nan 8.150 nan 0.000 0.443 402 T N 0.172 114.755 114.554 0.047 0.000 2.759 402 T HA -0.140 4.211 4.350 0.001 0.000 0.269 402 T C 1.889 176.649 174.700 0.100 0.000 1.042 402 T CA 1.689 63.849 62.100 0.099 0.000 1.140 402 T CB -0.190 68.759 68.868 0.135 0.000 0.864 402 T HN 0.527 nan 8.240 nan 0.000 0.455 403 K N 0.574 121.008 120.400 0.057 0.000 2.057 403 K HA 0.065 4.385 4.320 0.001 0.000 0.206 403 K C 2.276 178.928 176.600 0.087 0.000 1.050 403 K CA 0.972 57.296 56.287 0.062 0.000 0.935 403 K CB -0.374 32.131 32.500 0.008 0.000 0.715 403 K HN 0.340 nan 8.250 nan 0.000 0.439 404 I N 1.018 121.624 120.570 0.060 0.000 2.151 404 I HA -0.310 3.860 4.170 0.001 0.000 0.243 404 I C 2.367 178.555 176.117 0.118 0.000 1.080 404 I CA 1.217 62.560 61.300 0.072 0.000 1.339 404 I CB -0.387 37.639 38.000 0.044 0.000 1.039 404 I HN -0.088 nan 8.210 nan 0.000 0.409 405 V N 0.921 120.921 119.914 0.144 0.000 2.295 405 V HA -0.315 3.806 4.120 0.001 0.000 0.246 405 V C 2.714 178.942 176.094 0.224 0.000 1.049 405 V CA 2.040 64.473 62.300 0.221 0.000 1.024 405 V CB -1.055 30.905 31.823 0.228 0.000 0.648 405 V HN 0.516 nan 8.190 nan 0.000 0.447 406 A N -0.611 122.320 122.820 0.185 0.000 1.883 406 A HA -0.282 4.039 4.320 0.001 0.000 0.217 406 A C 2.150 179.816 177.584 0.137 0.000 1.186 406 A CA 2.315 54.454 52.037 0.170 0.000 0.624 406 A CB -0.793 18.301 19.000 0.158 0.000 0.822 406 A HN 0.530 nan 8.150 nan 0.000 0.444 407 F N 0.271 120.217 119.950 -0.007 0.000 2.113 407 F HA -0.134 4.394 4.527 0.001 0.000 0.297 407 F C 2.276 177.992 175.800 -0.140 0.000 1.103 407 F CA 2.265 60.228 58.000 -0.061 0.000 1.248 407 F CB -0.117 38.846 39.000 -0.061 0.000 0.999 407 F HN 0.178 nan 8.300 nan 0.000 0.475 408 K N -0.165 120.195 120.400 -0.066 0.000 2.020 408 K HA -0.238 4.082 4.320 0.001 0.000 0.212 408 K C 1.210 177.441 176.600 -0.613 0.000 1.050 408 K CA 2.192 58.245 56.287 -0.388 0.000 0.929 408 K CB -0.632 31.535 32.500 -0.555 0.000 0.714 408 K HN 0.450 nan 8.250 nan 0.000 0.443 409 Y N 0.956 121.175 120.300 -0.134 0.000 2.532 409 Y HA 0.237 4.788 4.550 0.001 0.000 0.283 409 Y C -0.411 175.346 175.900 -0.238 0.000 1.181 409 Y CA -0.622 57.383 58.100 -0.159 0.000 1.256 409 Y CB 0.481 38.910 38.460 -0.050 0.000 1.112 409 Y HN -0.143 nan 8.280 nan 0.000 0.521 410 K N 1.594 121.830 120.400 -0.274 0.000 4.430 410 K HA -0.223 4.097 4.320 0.001 0.000 0.283 410 K C -0.200 176.360 176.600 -0.067 0.000 0.845 410 K CA 1.075 57.160 56.287 -0.336 0.000 0.819 410 K CB -1.354 30.609 32.500 -0.896 0.000 1.735 410 K HN 0.474 nan 8.250 nan 0.000 0.429 411 T N -1.620 112.971 114.554 0.062 0.000 2.786 411 T HA 0.373 4.724 4.350 0.001 0.000 0.316 411 T C -1.001 173.810 174.700 0.185 0.000 1.503 411 T CA -0.580 61.616 62.100 0.159 0.000 1.019 411 T CB 1.450 70.415 68.868 0.163 0.000 1.415 411 T HN -0.019 nan 8.240 nan 0.000 0.496 412 V N 3.021 123.069 119.914 0.223 0.000 2.446 412 V HA 0.572 4.693 4.120 0.001 0.000 0.276 412 V C 0.798 177.011 176.094 0.198 0.000 1.030 412 V CA -0.166 62.275 62.300 0.235 0.000 1.033 412 V CB 0.136 32.131 31.823 0.288 0.000 0.993 412 V HN 0.977 nan 8.190 nan 0.000 0.477 413 A N 5.612 128.547 122.820 0.192 0.000 2.304 413 A HA 0.774 5.094 4.320 0.001 0.000 0.323 413 A C -0.575 177.106 177.584 0.163 0.000 1.195 413 A CA -0.499 51.635 52.037 0.161 0.000 0.826 413 A CB 1.283 20.381 19.000 0.164 0.000 1.184 413 A HN 0.617 nan 8.150 nan 0.000 0.496 414 V N 1.853 121.836 119.914 0.116 0.000 2.417 414 V HA 0.395 4.515 4.120 0.001 0.000 0.291 414 V C -0.296 175.856 176.094 0.096 0.000 1.024 414 V CA -0.537 61.826 62.300 0.106 0.000 0.861 414 V CB 1.307 33.157 31.823 0.046 0.000 0.985 414 V HN 1.005 nan 8.190 nan 0.000 0.436 415 C N 6.051 125.440 119.300 0.148 0.000 2.291 415 C HA 0.670 5.131 4.460 0.001 0.000 0.322 415 C C 0.800 175.858 174.990 0.113 0.000 1.205 415 C CA -0.443 58.670 59.018 0.158 0.000 1.495 415 C CB -0.261 27.642 27.740 0.271 0.000 2.127 415 C HN 1.023 nan 8.230 nan 0.000 0.452 416 T N 3.307 117.893 114.554 0.054 0.000 2.910 416 T HA 0.783 5.133 4.350 0.001 0.000 0.293 416 T C 0.526 175.255 174.700 0.048 0.000 1.015 416 T CA 0.366 62.480 62.100 0.023 0.000 1.094 416 T CB 1.628 70.494 68.868 -0.003 0.000 0.968 416 T HN 1.437 nan 8.240 nan 0.000 0.521 417 G N 0.920 109.737 108.800 0.028 0.000 2.474 417 G HA2 0.273 4.234 3.960 0.001 0.000 0.234 417 G HA3 0.273 4.234 3.960 0.001 0.000 0.234 417 G C 0.181 175.093 174.900 0.020 0.000 1.204 417 G CA -0.007 45.127 45.100 0.056 0.000 0.939 417 G HN 0.675 nan 8.290 nan 0.000 0.491 418 E N -0.914 119.315 120.200 0.048 0.000 2.031 418 E HA 0.059 4.409 4.350 0.001 0.000 0.193 418 E C 0.044 176.491 176.600 -0.256 0.000 0.994 418 E CA 0.794 57.152 56.400 -0.069 0.000 0.800 418 E CB -0.104 29.594 29.700 -0.002 0.000 0.752 418 E HN 0.278 nan 8.360 nan 0.000 0.447 419 F N 1.417 121.268 119.950 -0.165 0.000 2.404 419 F HA 0.268 4.795 4.527 0.001 0.000 0.339 419 F C 0.038 175.475 175.800 -0.605 0.000 1.105 419 F CA -1.108 56.658 58.000 -0.389 0.000 1.087 419 F CB 1.067 39.746 39.000 -0.533 0.000 1.143 419 F HN -0.160 nan 8.300 nan 0.000 0.491 420 D N 3.178 123.367 120.400 -0.352 0.000 2.193 420 D HA 0.289 4.929 4.640 0.001 0.000 0.244 420 D C -0.825 175.229 176.300 -0.410 0.000 1.064 420 D CA -0.051 53.770 54.000 -0.299 0.000 0.845 420 D CB 1.463 42.208 40.800 -0.092 0.000 1.148 420 D HN 0.209 nan 8.370 nan 0.000 0.464 421 F N 1.561 121.592 119.950 0.136 0.000 2.458 421 F HA 0.457 4.985 4.527 0.001 0.000 0.336 421 F C 0.310 176.189 175.800 0.133 0.000 1.114 421 F CA -1.043 57.036 58.000 0.132 0.000 0.987 421 F CB 1.249 40.317 39.000 0.112 0.000 1.130 421 F HN 0.039 nan 8.300 nan 0.000 0.458 422 I N 3.061 123.831 120.570 0.333 0.000 2.389 422 I HA 0.621 4.792 4.170 0.001 0.000 0.288 422 I C -0.370 175.985 176.117 0.397 0.000 0.999 422 I CA -0.408 61.085 61.300 0.320 0.000 1.129 422 I CB 1.734 39.891 38.000 0.260 0.000 1.288 422 I HN 0.666 nan 8.210 nan 0.000 0.444 423 A N 3.968 126.979 122.820 0.319 0.000 2.342 423 A HA 0.647 4.967 4.320 0.001 0.000 0.323 423 A C -1.095 176.570 177.584 0.134 0.000 1.125 423 A CA -0.538 51.622 52.037 0.205 0.000 0.785 423 A CB 1.032 20.121 19.000 0.148 0.000 1.221 423 A HN 0.605 nan 8.150 nan 0.000 0.463 424 D N 2.299 122.620 120.400 -0.131 0.000 2.412 424 D HA 0.448 5.089 4.640 0.001 0.000 0.224 424 D C 0.823 177.100 176.300 -0.039 0.000 1.093 424 D CA 0.279 54.163 54.000 -0.194 0.000 0.850 424 D CB 1.167 41.526 40.800 -0.734 0.000 1.046 424 D HN 0.517 nan 8.370 nan 0.000 0.507 425 G N 2.013 110.856 108.800 0.072 0.000 3.502 425 G HA2 -0.052 3.908 3.960 0.001 0.000 0.267 425 G HA3 -0.052 3.908 3.960 0.001 0.000 0.267 425 G C 1.263 176.212 174.900 0.081 0.000 1.090 425 G CA 0.303 45.471 45.100 0.113 0.000 0.795 425 G HN 0.531 nan 8.290 nan 0.000 0.535 426 T N -0.860 113.778 114.554 0.141 0.000 2.995 426 T HA 0.021 4.372 4.350 0.001 0.000 0.269 426 T C 1.580 176.441 174.700 0.269 0.000 1.091 426 T CA 0.407 62.672 62.100 0.276 0.000 1.128 426 T CB -0.332 68.737 68.868 0.335 0.000 0.891 426 T HN 0.558 nan 8.240 nan 0.000 0.492 427 I N 2.008 122.674 120.570 0.161 0.000 6.572 427 I HA -0.291 3.879 4.170 0.001 0.000 0.126 427 I C 0.417 176.620 176.117 0.144 0.000 1.771 427 I CA 0.900 62.291 61.300 0.152 0.000 2.241 427 I CB -2.209 35.904 38.000 0.189 0.000 3.401 427 I HN 0.517 nan 8.210 nan 0.000 0.227 428 E N -0.906 119.356 120.200 0.102 0.000 3.170 428 E HA -0.310 4.041 4.350 0.001 0.000 0.284 428 E C 1.211 177.833 176.600 0.036 0.000 0.967 428 E CA 0.782 57.211 56.400 0.048 0.000 0.919 428 E CB -1.605 28.112 29.700 0.027 0.000 1.469 428 E HN 1.272 nan 8.360 nan 0.000 0.444 429 G N 0.385 109.250 108.800 0.108 0.000 2.147 429 G HA2 -0.333 3.627 3.960 0.001 0.000 0.244 429 G HA3 -0.333 3.627 3.960 0.001 0.000 0.244 429 G C 0.056 174.946 174.900 -0.017 0.000 1.005 429 G CA 0.570 45.654 45.100 -0.027 0.000 0.713 429 G HN 0.073 nan 8.290 nan 0.000 0.515 430 K N 0.096 120.574 120.400 0.130 0.000 2.276 430 K HA 0.513 4.834 4.320 0.001 0.000 0.283 430 K C 0.085 176.842 176.600 0.261 0.000 1.044 430 K CA -0.254 56.088 56.287 0.092 0.000 0.944 430 K CB 0.871 33.418 32.500 0.079 0.000 1.012 430 K HN 0.664 nan 8.250 nan 0.000 0.472 431 Y N -1.640 118.742 120.300 0.136 0.000 2.581 431 Y HA 0.647 5.198 4.550 0.001 0.000 0.345 431 Y C -0.457 175.496 175.900 0.089 0.000 1.036 431 Y CA -1.119 57.076 58.100 0.158 0.000 1.042 431 Y CB 1.733 40.315 38.460 0.202 0.000 1.289 431 Y HN 0.551 nan 8.280 nan 0.000 0.471 432 S N 1.821 117.679 115.700 0.263 0.000 2.565 432 S HA 0.655 5.126 4.470 0.001 0.000 0.269 432 S C -1.722 172.982 174.600 0.173 0.000 1.153 432 S CA -1.142 57.152 58.200 0.157 0.000 0.835 432 S CB 1.065 64.304 63.200 0.065 0.000 1.122 432 S HN 0.897 nan 8.310 nan 0.000 0.462 433 L N 2.320 123.623 121.223 0.134 0.000 2.371 433 L HA 0.634 4.975 4.340 0.001 0.000 0.272 433 L C 1.677 178.597 176.870 0.083 0.000 1.124 433 L CA 0.520 55.425 54.840 0.108 0.000 0.816 433 L CB 0.491 42.610 42.059 0.099 0.000 1.129 433 L HN 1.350 nan 8.230 nan 0.000 0.448 434 S N 0.265 116.007 115.700 0.070 0.000 3.017 434 S HA -0.354 4.116 4.470 0.001 0.000 0.283 434 S C 1.436 176.068 174.600 0.054 0.000 1.304 434 S CA 2.159 60.393 58.200 0.057 0.000 1.224 434 S CB -1.707 61.533 63.200 0.068 0.000 1.480 434 S HN 0.814 nan 8.310 nan 0.000 0.698 435 K N -0.968 119.470 120.400 0.062 0.000 2.118 435 K HA 0.691 5.012 4.320 0.001 0.000 0.214 435 K C 2.464 179.100 176.600 0.059 0.000 1.023 435 K CA 1.421 57.743 56.287 0.059 0.000 0.948 435 K CB -1.065 31.470 32.500 0.060 0.000 0.851 435 K HN 1.461 nan 8.250 nan 0.000 0.455 436 G N -1.426 107.419 108.800 0.075 0.000 2.633 436 G HA2 0.203 4.164 3.960 0.001 0.000 0.198 436 G HA3 0.203 4.164 3.960 0.001 0.000 0.198 436 G C 0.482 175.450 174.900 0.113 0.000 1.198 436 G CA 0.838 45.994 45.100 0.093 0.000 0.685 436 G HN 0.435 nan 8.290 nan 0.000 0.868 437 T N 1.825 116.456 114.554 0.128 0.000 2.762 437 T HA 0.434 4.785 4.350 0.001 0.000 0.303 437 T C 1.680 176.440 174.700 0.100 0.000 0.977 437 T CA 0.734 62.920 62.100 0.144 0.000 0.961 437 T CB 0.137 69.146 68.868 0.235 0.000 0.944 437 T HN 0.470 nan 8.240 nan 0.000 0.481 438 N N 3.190 121.936 118.700 0.077 0.000 2.217 438 N HA -0.206 4.535 4.740 0.001 0.000 0.195 438 N C 1.434 176.971 175.510 0.044 0.000 0.950 438 N CA 2.074 55.155 53.050 0.053 0.000 0.910 438 N CB -0.794 37.718 38.487 0.041 0.000 1.073 438 N HN 0.859 nan 8.380 nan 0.000 0.663 439 G N -2.897 105.929 108.800 0.043 0.000 5.364 439 G HA2 0.391 4.352 3.960 0.001 0.000 0.220 439 G HA3 0.391 4.352 3.960 0.001 0.000 0.220 439 G C -0.246 174.661 174.900 0.010 0.000 0.838 439 G CA 0.674 45.788 45.100 0.023 0.000 0.727 439 G HN 0.539 nan 8.290 nan 0.000 0.303 440 T N 2.194 116.774 114.554 0.043 0.000 2.863 440 T HA 0.486 4.836 4.350 0.001 0.000 0.299 440 T C 0.848 175.514 174.700 -0.057 0.000 0.973 440 T CA 0.155 62.275 62.100 0.033 0.000 0.994 440 T CB 0.931 69.869 68.868 0.117 0.000 0.961 440 T HN 0.516 nan 8.240 nan 0.000 0.552 441 S N 2.271 117.848 115.700 -0.204 0.000 2.713 441 S HA 0.334 4.804 4.470 0.001 0.000 0.277 441 S C 1.685 175.855 174.600 -0.716 0.000 1.168 441 S CA -0.843 57.065 58.200 -0.486 0.000 0.994 441 S CB 0.764 63.785 63.200 -0.298 0.000 1.054 441 S HN 0.216 nan 8.310 nan 0.000 0.555 442 V N 1.764 121.121 119.914 -0.929 0.000 2.370 442 V HA -0.179 3.941 4.120 0.001 0.000 0.252 442 V C 2.684 178.613 176.094 -0.276 0.000 1.068 442 V CA 2.398 64.341 62.300 -0.594 0.000 1.061 442 V CB -1.040 30.568 31.823 -0.360 0.000 0.656 442 V HN 0.834 nan 8.190 nan 0.000 0.455 443 E N 0.796 120.858 120.200 -0.229 0.000 2.110 443 E HA -0.174 4.177 4.350 0.001 0.000 0.193 443 E C 1.287 177.827 176.600 -0.099 0.000 0.988 443 E CA 1.575 57.895 56.400 -0.134 0.000 0.804 443 E CB -0.364 29.268 29.700 -0.113 0.000 0.745 443 E HN 0.941 nan 8.360 nan 0.000 0.458 444 D N 0.047 120.384 120.400 -0.106 0.000 2.593 444 D HA 0.130 4.770 4.640 0.001 0.000 0.241 444 D C 0.760 177.038 176.300 -0.037 0.000 1.257 444 D CA -0.340 53.623 54.000 -0.061 0.000 0.828 444 D CB -0.776 39.992 40.800 -0.055 0.000 1.049 444 D HN 0.175 nan 8.370 nan 0.000 0.490 445 I N -2.674 117.876 120.570 -0.033 0.000 2.612 445 I HA 0.462 4.633 4.170 0.001 0.000 0.295 445 I C -2.133 173.971 176.117 -0.021 0.000 1.011 445 I CA -2.491 58.803 61.300 -0.010 0.000 1.326 445 I CB 0.327 38.348 38.000 0.036 0.000 1.427 445 I HN -0.304 nan 8.210 nan 0.000 0.537 446 P HA -0.025 nan 4.420 nan 0.000 0.262 446 P C -0.833 176.457 177.300 -0.016 0.000 1.199 446 P CA -0.045 63.017 63.100 -0.064 0.000 0.763 446 P CB 0.423 31.962 31.700 -0.268 0.000 0.790 447 C N 5.421 124.797 119.300 0.126 0.000 2.432 447 C HA 0.551 5.012 4.460 0.001 0.000 0.334 447 C C -0.112 175.041 174.990 0.271 0.000 1.155 447 C CA -0.373 58.764 59.018 0.199 0.000 1.335 447 C CB 0.410 28.229 27.740 0.130 0.000 1.964 447 C HN 0.554 nan 8.230 nan 0.000 0.444 448 V N 3.783 123.895 119.914 0.330 0.000 2.994 448 V HA 1.038 5.159 4.120 0.001 0.000 0.318 448 V C 0.066 176.339 176.094 0.298 0.000 1.085 448 V CA -0.197 62.255 62.300 0.254 0.000 0.998 448 V CB 1.550 33.480 31.823 0.178 0.000 1.063 448 V HN 1.358 nan 8.190 nan 0.000 0.447 449 A N 1.691 124.658 122.820 0.246 0.000 2.380 449 A HA 0.915 5.236 4.320 0.001 0.000 0.315 449 A C -0.930 176.722 177.584 0.114 0.000 1.101 449 A CA -0.741 51.438 52.037 0.237 0.000 0.771 449 A CB 2.050 21.270 19.000 0.367 0.000 1.287 449 A HN 1.464 nan 8.150 nan 0.000 0.436 450 V N 2.217 122.151 119.914 0.034 0.000 2.488 450 V HA 0.448 4.569 4.120 0.001 0.000 0.293 450 V C -0.945 175.121 176.094 -0.046 0.000 1.027 450 V CA -0.412 61.896 62.300 0.013 0.000 0.862 450 V CB 1.318 33.145 31.823 0.007 0.000 1.008 450 V HN 1.076 nan 8.190 nan 0.000 0.428 451 E N 3.820 123.987 120.200 -0.054 0.000 2.299 451 E HA 0.918 5.269 4.350 0.001 0.000 0.265 451 E C -0.206 176.297 176.600 -0.161 0.000 0.911 451 E CA -0.875 55.384 56.400 -0.235 0.000 0.789 451 E CB 2.459 31.889 29.700 -0.449 0.000 1.246 451 E HN 0.608 nan 8.360 nan 0.000 0.427 452 A N 1.572 124.268 122.820 -0.207 0.000 2.758 452 A HA 0.659 4.980 4.320 0.001 0.000 0.223 452 A C 0.661 178.166 177.584 -0.132 0.000 0.877 452 A CA -0.036 51.930 52.037 -0.119 0.000 1.152 452 A CB -0.581 18.376 19.000 -0.071 0.000 1.239 452 A HN 1.334 nan 8.150 nan 0.000 0.470 453 G N 0.966 109.648 108.800 -0.196 0.000 2.804 453 G HA2 -0.103 3.858 3.960 0.001 0.000 0.230 453 G HA3 -0.103 3.858 3.960 0.001 0.000 0.230 453 G C -2.277 172.536 174.900 -0.145 0.000 1.386 453 G CA -0.300 44.706 45.100 -0.157 0.000 0.875 453 G HN 0.611 nan 8.290 nan 0.000 0.557 454 P HA 0.545 nan 4.420 nan 0.000 0.269 454 P C 0.147 177.413 177.300 -0.056 0.000 1.215 454 P CA 0.096 63.155 63.100 -0.068 0.000 0.780 454 P CB 0.840 32.516 31.700 -0.040 0.000 0.898 468 L N 3.373 124.119 121.223 -0.795 0.000 2.083 468 L HA 0.181 4.522 4.340 0.001 0.000 0.209 468 L C 2.067 178.701 176.870 -0.393 0.000 1.083 468 L CA 2.585 56.901 54.840 -0.873 0.000 0.752 468 L CB -1.140 40.388 42.059 -0.885 0.000 0.899 468 L HN 0.386 nan 8.230 nan 0.000 0.433 469 G N -1.242 107.366 108.800 -0.320 0.000 2.459 469 G HA2 -0.296 3.665 3.960 0.001 0.000 0.217 469 G HA3 -0.296 3.665 3.960 0.001 0.000 0.217 469 G C 1.533 176.323 174.900 -0.183 0.000 1.183 469 G CA 1.002 45.960 45.100 -0.236 0.000 0.776 469 G HN 0.505 nan 8.290 nan 0.000 0.552 470 S N 0.278 115.890 115.700 -0.147 0.000 2.399 470 S HA -0.117 4.354 4.470 0.001 0.000 0.231 470 S C 2.459 177.033 174.600 -0.044 0.000 1.022 470 S CA 1.699 59.871 58.200 -0.047 0.000 0.983 470 S CB -0.469 62.782 63.200 0.085 0.000 0.803 470 S HN 0.473 nan 8.310 nan 0.000 0.480 471 T N 3.056 117.568 114.554 -0.070 0.000 2.639 471 T HA 0.039 4.390 4.350 0.001 0.000 0.261 471 T C 1.794 176.477 174.700 -0.028 0.000 1.053 471 T CA 1.208 63.293 62.100 -0.025 0.000 1.158 471 T CB -0.549 68.324 68.868 0.009 0.000 0.863 471 T HN 0.294 nan 8.240 nan 0.000 0.413 472 I N 1.664 122.199 120.570 -0.059 0.000 2.185 472 I HA -0.299 3.871 4.170 0.001 0.000 0.246 472 I C 2.914 179.016 176.117 -0.024 0.000 1.088 472 I CA 1.388 62.665 61.300 -0.037 0.000 1.347 472 I CB -0.591 37.374 38.000 -0.058 0.000 1.041 472 I HN 0.231 nan 8.210 nan 0.000 0.415 473 A N -0.209 122.580 122.820 -0.052 0.000 1.902 473 A HA -0.237 4.083 4.320 0.001 0.000 0.217 473 A C 2.415 179.995 177.584 -0.008 0.000 1.181 473 A CA 1.961 53.969 52.037 -0.049 0.000 0.623 473 A CB -1.145 17.784 19.000 -0.118 0.000 0.818 473 A HN 0.569 nan 8.150 nan 0.000 0.443 474 C N -0.865 118.437 119.300 0.003 0.000 2.450 474 C HA -0.029 4.432 4.460 0.001 0.000 0.279 474 C C 2.865 177.870 174.990 0.025 0.000 1.335 474 C CA 1.044 60.075 59.018 0.023 0.000 1.749 474 C CB -0.951 26.806 27.740 0.027 0.000 1.963 474 C HN 0.565 nan 8.230 nan 0.000 0.501 475 M N 0.649 120.263 119.600 0.024 0.000 2.123 475 M HA -0.005 4.476 4.480 0.001 0.000 0.263 475 M C 2.014 178.337 176.300 0.039 0.000 1.069 475 M CA 1.702 57.021 55.300 0.032 0.000 1.133 475 M CB -1.268 31.353 32.600 0.036 0.000 1.356 475 M HN 0.322 nan 8.290 nan 0.000 0.415 476 I N -0.062 120.534 120.570 0.042 0.000 2.361 476 I HA -0.174 3.996 4.170 0.001 0.000 0.251 476 I C 2.532 178.692 176.117 0.072 0.000 1.133 476 I CA 1.202 62.536 61.300 0.057 0.000 1.413 476 I CB -1.028 37.008 38.000 0.061 0.000 1.073 476 I HN 0.334 nan 8.210 nan 0.000 0.424 477 G N 0.719 109.560 108.800 0.068 0.000 2.422 477 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 477 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 477 G C 1.697 176.668 174.900 0.119 0.000 1.146 477 G CA 0.818 45.977 45.100 0.099 0.000 0.769 477 G HN 0.498 nan 8.290 nan 0.000 0.547 478 G N -0.483 108.343 108.800 0.044 0.000 2.511 478 G HA2 0.036 3.996 3.960 0.001 0.000 0.217 478 G HA3 0.036 3.996 3.960 0.001 0.000 0.217 478 G C 0.884 175.782 174.900 -0.004 0.000 1.133 478 G CA -0.086 44.986 45.100 -0.046 0.000 0.792 478 G HN 0.301 nan 8.290 nan 0.000 0.539 479 Q N 1.199 121.040 119.800 0.068 0.000 2.304 479 Q HA 0.152 4.493 4.340 0.001 0.000 0.301 479 Q C -2.141 173.949 176.000 0.150 0.000 1.063 479 Q CA -0.707 55.145 55.803 0.083 0.000 0.947 479 Q CB 1.018 29.799 28.738 0.072 0.000 1.201 479 Q HN 0.247 nan 8.270 nan 0.000 0.389 480 P HA 0.241 nan 4.420 nan 0.000 0.286 480 P C 0.514 177.855 177.300 0.069 0.000 1.292 480 P CA -0.573 62.618 63.100 0.151 0.000 0.842 480 P CB 0.782 32.553 31.700 0.118 0.000 1.207 481 S N 0.133 115.857 115.700 0.040 0.000 2.408 481 S HA -0.314 4.156 4.470 0.001 0.000 0.241 481 S C 1.926 176.529 174.600 0.005 0.000 1.080 481 S CA 2.416 60.619 58.200 0.004 0.000 1.109 481 S CB -1.068 62.131 63.200 -0.002 0.000 0.966 481 S HN 0.720 nan 8.310 nan 0.000 0.449 482 E N 0.648 120.860 120.200 0.019 0.000 2.502 482 E HA 0.346 4.697 4.350 0.001 0.000 0.194 482 E C 0.900 177.517 176.600 0.028 0.000 1.062 482 E CA 0.664 57.076 56.400 0.019 0.000 0.867 482 E CB -0.898 28.815 29.700 0.021 0.000 0.888 482 E HN 0.700 nan 8.360 nan 0.000 0.510 483 G N 0.084 108.905 108.800 0.034 0.000 2.479 483 G HA2 0.328 4.289 3.960 0.001 0.000 0.275 483 G HA3 0.328 4.289 3.960 0.001 0.000 0.275 483 G C 0.010 174.940 174.900 0.049 0.000 1.421 483 G CA 0.181 45.310 45.100 0.048 0.000 1.059 483 G HN 0.462 nan 8.290 nan 0.000 0.535 484 N N -1.953 116.787 118.700 0.068 0.000 2.478 484 N HA 0.220 4.961 4.740 0.001 0.000 0.291 484 N C 0.550 176.099 175.510 0.065 0.000 1.090 484 N CA -0.654 52.429 53.050 0.056 0.000 0.911 484 N CB 1.710 40.235 38.487 0.064 0.000 1.546 484 N HN 0.289 nan 8.380 nan 0.000 0.500 485 L N 4.127 125.384 121.223 0.057 0.000 2.017 485 L HA 0.139 4.479 4.340 0.001 0.000 0.208 485 L C 1.527 178.482 176.870 0.143 0.000 1.073 485 L CA 1.814 56.707 54.840 0.089 0.000 0.745 485 L CB -0.793 41.315 42.059 0.083 0.000 0.894 485 L HN 0.752 nan 8.230 nan 0.000 0.432 486 F N -0.166 119.768 119.950 -0.027 0.000 2.102 486 F HA -0.231 4.297 4.527 0.001 0.000 0.298 486 F C 2.589 178.402 175.800 0.021 0.000 1.105 486 F CA 1.958 59.942 58.000 -0.026 0.000 1.239 486 F CB -0.640 38.304 39.000 -0.093 0.000 0.991 486 F HN 0.271 nan 8.300 nan 0.000 0.474 487 H N 0.072 119.082 119.070 -0.100 0.000 2.353 487 H HA -0.049 4.508 4.556 0.001 0.000 0.300 487 H C 2.415 177.659 175.328 -0.142 0.000 1.090 487 H CA 1.281 57.211 56.048 -0.196 0.000 1.327 487 H CB -1.144 28.582 29.762 -0.060 0.000 1.383 487 H HN 0.363 nan 8.280 nan 0.000 0.508 488 A N 0.686 123.549 122.820 0.071 0.000 1.883 488 A HA -0.161 4.159 4.320 0.001 0.000 0.217 488 A C 2.872 180.464 177.584 0.014 0.000 1.186 488 A CA 2.118 54.182 52.037 0.047 0.000 0.624 488 A CB -0.973 18.062 19.000 0.058 0.000 0.822 488 A HN 0.231 nan 8.150 nan 0.000 0.444 489 V N -0.415 119.498 119.914 -0.002 0.000 2.295 489 V HA -0.248 3.872 4.120 0.001 0.000 0.246 489 V C 2.557 178.622 176.094 -0.050 0.000 1.049 489 V CA 2.011 64.308 62.300 -0.006 0.000 1.024 489 V CB -1.010 30.840 31.823 0.044 0.000 0.648 489 V HN 0.368 nan 8.190 nan 0.000 0.447 490 V N 0.392 120.211 119.914 -0.159 0.000 2.287 490 V HA -0.297 3.824 4.120 0.001 0.000 0.248 490 V C 2.769 178.845 176.094 -0.030 0.000 1.053 490 V CA 2.083 64.297 62.300 -0.144 0.000 1.027 490 V CB -1.278 30.375 31.823 -0.283 0.000 0.646 490 V HN 0.566 nan 8.190 nan 0.000 0.447 491 A N 0.619 123.434 122.820 -0.009 0.000 1.873 491 A HA -0.210 4.111 4.320 0.001 0.000 0.218 491 A C 2.467 180.117 177.584 0.110 0.000 1.193 491 A CA 2.358 54.436 52.037 0.069 0.000 0.629 491 A CB -1.470 17.565 19.000 0.057 0.000 0.826 491 A HN 0.553 nan 8.150 nan 0.000 0.447 492 G N -0.767 108.071 108.800 0.062 0.000 2.476 492 G HA2 -0.170 3.791 3.960 0.001 0.000 0.218 492 G HA3 -0.170 3.791 3.960 0.001 0.000 0.218 492 G C 1.493 176.433 174.900 0.067 0.000 1.164 492 G CA 1.425 46.558 45.100 0.055 0.000 0.768 492 G HN 0.403 nan 8.290 nan 0.000 0.560 493 V N 1.188 121.131 119.914 0.048 0.000 2.515 493 V HA -0.142 3.979 4.120 0.001 0.000 0.250 493 V C 2.913 179.065 176.094 0.097 0.000 1.058 493 V CA 1.594 63.929 62.300 0.058 0.000 1.064 493 V CB -0.318 31.521 31.823 0.027 0.000 0.675 493 V HN 0.313 nan 8.190 nan 0.000 0.461 494 M N -0.783 118.883 119.600 0.110 0.000 2.064 494 M HA -0.127 4.354 4.480 0.001 0.000 0.260 494 M C 2.330 178.688 176.300 0.097 0.000 1.073 494 M CA 1.799 57.197 55.300 0.163 0.000 1.124 494 M CB -1.003 31.762 32.600 0.276 0.000 1.326 494 M HN 0.272 nan 8.290 nan 0.000 0.410 495 L N -0.668 120.603 121.223 0.079 0.000 2.051 495 L HA -0.307 4.034 4.340 0.001 0.000 0.214 495 L C 2.635 179.374 176.870 -0.220 0.000 1.076 495 L CA 2.035 56.709 54.840 -0.276 0.000 0.758 495 L CB -0.579 41.430 42.059 -0.084 0.000 0.890 495 L HN 0.233 nan 8.230 nan 0.000 0.433 496 Y N 0.624 120.837 120.300 -0.146 0.000 2.133 496 Y HA -0.308 4.243 4.550 0.001 0.000 0.287 496 Y C 2.659 178.497 175.900 -0.104 0.000 1.134 496 Y CA 2.052 60.082 58.100 -0.117 0.000 1.133 496 Y CB -0.131 38.289 38.460 -0.067 0.000 0.987 496 Y HN 0.000 nan 8.280 nan 0.000 0.502 497 K N 0.528 120.965 120.400 0.062 0.000 2.113 497 K HA -0.162 4.159 4.320 0.001 0.000 0.208 497 K C 2.101 178.628 176.600 -0.122 0.000 1.047 497 K CA 1.381 57.663 56.287 -0.009 0.000 0.928 497 K CB -0.716 31.804 32.500 0.035 0.000 0.716 497 K HN 0.441 nan 8.250 nan 0.000 0.446 498 A N 0.162 122.873 122.820 -0.182 0.000 1.855 498 A HA 0.006 4.326 4.320 0.001 0.000 0.215 498 A C 2.265 179.648 177.584 -0.335 0.000 1.191 498 A CA 1.760 53.635 52.037 -0.270 0.000 0.613 498 A CB -0.969 17.734 19.000 -0.495 0.000 0.829 498 A HN 0.325 nan 8.150 nan 0.000 0.442 499 A N -0.607 121.963 122.820 -0.416 0.000 2.178 499 A HA 0.208 4.528 4.320 0.001 0.000 0.218 499 A C 2.113 179.475 177.584 -0.370 0.000 1.157 499 A CA 1.619 53.424 52.037 -0.388 0.000 0.689 499 A CB -0.969 17.795 19.000 -0.393 0.000 0.787 499 A HN 0.648 nan 8.150 nan 0.000 0.465 500 G N -0.538 108.064 108.800 -0.331 0.000 2.408 500 G HA2 0.071 4.031 3.960 0.001 0.000 0.213 500 G HA3 0.071 4.031 3.960 0.001 0.000 0.213 500 G C 1.767 176.638 174.900 -0.047 0.000 1.177 500 G CA 1.452 46.442 45.100 -0.184 0.000 0.802 500 G HN 0.712 nan 8.290 nan 0.000 0.533 501 K N 1.080 121.437 120.400 -0.072 0.000 2.009 501 K HA 0.038 4.359 4.320 0.001 0.000 0.210 501 K C 2.360 178.932 176.600 -0.048 0.000 1.049 501 K CA 1.524 57.789 56.287 -0.037 0.000 0.929 501 K CB -0.913 31.559 32.500 -0.046 0.000 0.714 501 K HN 0.391 nan 8.250 nan 0.000 0.440 502 I N 0.585 121.092 120.570 -0.105 0.000 2.163 502 I HA -0.269 3.901 4.170 0.001 0.000 0.243 502 I C 3.038 179.085 176.117 -0.115 0.000 1.085 502 I CA 1.327 62.562 61.300 -0.108 0.000 1.347 502 I CB -0.380 37.533 38.000 -0.146 0.000 1.044 502 I HN 0.453 nan 8.210 nan 0.000 0.408 503 A N 0.695 123.395 122.820 -0.199 0.000 1.877 503 A HA -0.243 4.078 4.320 0.001 0.000 0.216 503 A C 2.501 180.045 177.584 -0.067 0.000 1.186 503 A CA 2.209 54.069 52.037 -0.295 0.000 0.620 503 A CB -0.965 17.584 19.000 -0.752 0.000 0.822 503 A HN 0.525 nan 8.150 nan 0.000 0.443 504 S N -0.042 115.756 115.700 0.163 0.000 2.419 504 S HA -0.231 4.240 4.470 0.001 0.000 0.235 504 S C 1.597 176.269 174.600 0.119 0.000 1.019 504 S CA 1.722 60.106 58.200 0.306 0.000 0.982 504 S CB -0.425 62.922 63.200 0.245 0.000 0.789 504 S HN 0.676 nan 8.310 nan 0.000 0.490 505 E N 1.181 121.409 120.200 0.047 0.000 2.051 505 E HA 0.054 4.404 4.350 0.001 0.000 0.189 505 E C 1.752 178.358 176.600 0.009 0.000 0.979 505 E CA 0.859 57.270 56.400 0.018 0.000 0.803 505 E CB -0.045 29.654 29.700 -0.001 0.000 0.761 505 E HN 0.553 nan 8.360 nan 0.000 0.451 506 K N 0.567 120.961 120.400 -0.011 0.000 2.522 506 K HA 0.059 4.380 4.320 0.001 0.000 0.194 506 K C 0.150 176.743 176.600 -0.012 0.000 1.026 506 K CA -0.081 56.194 56.287 -0.021 0.000 1.119 506 K CB -0.239 32.233 32.500 -0.046 0.000 0.856 506 K HN 0.214 nan 8.250 nan 0.000 0.513 507 C N -1.532 117.778 119.300 0.017 0.000 2.719 507 C HA 0.459 4.920 4.460 0.001 0.000 0.327 507 C C 0.585 175.597 174.990 0.037 0.000 1.238 507 C CA -1.046 57.991 59.018 0.033 0.000 1.727 507 C CB 1.278 29.072 27.740 0.090 0.000 2.256 507 C HN 0.245 nan 8.230 nan 0.000 0.489 508 N N 0.533 119.250 118.700 0.028 0.000 2.187 508 N HA 0.417 5.158 4.740 0.001 0.000 0.212 508 N C 0.448 175.968 175.510 0.017 0.000 1.152 508 N CA 0.882 53.942 53.050 0.017 0.000 0.872 508 N CB 1.302 39.792 38.487 0.005 0.000 1.025 508 N HN 1.163 nan 8.380 nan 0.000 0.514 509 G N -0.579 108.242 108.800 0.035 0.000 2.327 509 G HA2 0.019 3.979 3.960 0.001 0.000 0.291 509 G HA3 0.019 3.979 3.960 0.001 0.000 0.291 509 G C 0.122 175.048 174.900 0.044 0.000 1.290 509 G CA -0.377 44.735 45.100 0.020 0.000 0.857 509 G HN -0.088 nan 8.290 nan 0.000 0.520 510 S N -0.355 115.347 115.700 0.004 0.000 2.365 510 S HA -0.095 4.376 4.470 0.001 0.000 0.225 510 S C 2.552 177.177 174.600 0.043 0.000 1.039 510 S CA 2.625 60.827 58.200 0.003 0.000 1.033 510 S CB -0.821 62.357 63.200 -0.037 0.000 0.887 510 S HN 1.343 nan 8.310 nan 0.000 0.447 511 G N 1.796 110.600 108.800 0.006 0.000 2.511 511 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 511 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 511 G C 1.719 176.616 174.900 -0.005 0.000 1.218 511 G CA 1.638 46.728 45.100 -0.016 0.000 0.788 511 G HN 0.670 nan 8.290 nan 0.000 0.560 512 S N 0.343 116.050 115.700 0.012 0.000 2.399 512 S HA -0.097 4.373 4.470 0.001 0.000 0.231 512 S C 2.119 176.725 174.600 0.009 0.000 1.022 512 S CA 1.354 59.554 58.200 -0.001 0.000 0.983 512 S CB -0.575 62.623 63.200 -0.002 0.000 0.803 512 S HN 0.381 nan 8.310 nan 0.000 0.480 513 F N 2.277 122.191 119.950 -0.060 0.000 2.154 513 F HA -0.166 4.361 4.527 0.001 0.000 0.301 513 F C 2.633 178.400 175.800 -0.055 0.000 1.087 513 F CA 1.996 59.963 58.000 -0.055 0.000 1.274 513 F CB -0.398 38.571 39.000 -0.052 0.000 1.009 513 F HN 0.274 nan 8.300 nan 0.000 0.485 514 Q N -0.257 119.560 119.800 0.029 0.000 2.020 514 Q HA -0.167 4.174 4.340 0.001 0.000 0.198 514 Q C 2.442 178.373 176.000 -0.116 0.000 0.974 514 Q CA 1.858 57.606 55.803 -0.091 0.000 0.829 514 Q CB -0.426 28.164 28.738 -0.246 0.000 0.894 514 Q HN 0.423 nan 8.270 nan 0.000 0.433 515 V N 0.627 120.480 119.914 -0.100 0.000 2.490 515 V HA -0.185 3.936 4.120 0.001 0.000 0.250 515 V C 1.706 177.742 176.094 -0.097 0.000 1.061 515 V CA 1.858 64.118 62.300 -0.068 0.000 1.064 515 V CB -0.299 31.488 31.823 -0.060 0.000 0.670 515 V HN 0.355 nan 8.190 nan 0.000 0.461 516 E N 0.044 120.149 120.200 -0.159 0.000 2.208 516 E HA -0.110 4.240 4.350 0.001 0.000 0.193 516 E C 2.087 178.530 176.600 -0.261 0.000 0.988 516 E CA 1.384 57.667 56.400 -0.194 0.000 0.828 516 E CB -0.215 29.360 29.700 -0.208 0.000 0.763 516 E HN 0.676 nan 8.360 nan 0.000 0.478 517 L N 0.493 121.498 121.223 -0.364 0.000 2.027 517 L HA -0.128 4.213 4.340 0.001 0.000 0.206 517 L C 2.302 179.076 176.870 -0.160 0.000 1.074 517 L CA 0.904 55.522 54.840 -0.370 0.000 0.745 517 L CB -0.148 41.663 42.059 -0.412 0.000 0.898 517 L HN 0.075 nan 8.230 nan 0.000 0.433 518 I N -0.032 120.518 120.570 -0.033 0.000 2.208 518 I HA -0.334 3.837 4.170 0.001 0.000 0.245 518 I C 2.085 178.201 176.117 -0.002 0.000 1.097 518 I CA 1.333 62.645 61.300 0.021 0.000 1.363 518 I CB -0.476 37.578 38.000 0.090 0.000 1.051 518 I HN 0.294 nan 8.210 nan 0.000 0.413 519 D N 1.116 121.493 120.400 -0.037 0.000 2.092 519 D HA -0.188 4.453 4.640 0.001 0.000 0.193 519 D C 2.280 178.582 176.300 0.003 0.000 0.994 519 D CA 1.802 55.791 54.000 -0.019 0.000 0.828 519 D CB -0.303 40.464 40.800 -0.056 0.000 0.963 519 D HN 0.344 nan 8.370 nan 0.000 0.450 520 A N 0.426 123.194 122.820 -0.086 0.000 1.940 520 A HA -0.146 4.175 4.320 0.001 0.000 0.219 520 A C 2.418 179.918 177.584 -0.140 0.000 1.176 520 A CA 0.990 52.949 52.037 -0.130 0.000 0.631 520 A CB -0.760 18.113 19.000 -0.211 0.000 0.814 520 A HN 0.242 nan 8.150 nan 0.000 0.446 521 L N -2.343 118.809 121.223 -0.119 0.000 2.056 521 L HA -0.187 4.154 4.340 0.001 0.000 0.207 521 L C 2.573 179.422 176.870 -0.034 0.000 1.078 521 L CA 1.802 56.578 54.840 -0.107 0.000 0.749 521 L CB -0.574 41.446 42.059 -0.066 0.000 0.901 521 L HN 0.615 nan 8.230 nan 0.000 0.433 522 Y N 0.837 121.089 120.300 -0.080 0.000 2.114 522 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 522 Y C 2.816 178.691 175.900 -0.041 0.000 1.143 522 Y CA 1.588 59.659 58.100 -0.048 0.000 1.135 522 Y CB -0.101 38.336 38.460 -0.039 0.000 0.980 522 Y HN -0.039 nan 8.280 nan 0.000 0.499 523 R N -0.707 119.840 120.500 0.079 0.000 2.073 523 R HA -0.161 4.180 4.340 0.001 0.000 0.234 523 R C 2.072 178.331 176.300 -0.068 0.000 1.134 523 R CA 1.389 57.490 56.100 0.003 0.000 0.952 523 R CB -0.658 29.670 30.300 0.046 0.000 0.850 523 R HN 0.289 nan 8.270 nan 0.000 0.433 524 L N 0.794 121.959 121.223 -0.096 0.000 2.081 524 L HA -0.186 4.155 4.340 0.001 0.000 0.212 524 L C 2.494 179.390 176.870 0.044 0.000 1.080 524 L CA 2.263 57.047 54.840 -0.092 0.000 0.754 524 L CB -1.152 40.675 42.059 -0.387 0.000 0.893 524 L HN 0.394 nan 8.230 nan 0.000 0.433 525 T N -5.424 109.102 114.554 -0.047 0.000 3.054 525 T HA -0.041 4.310 4.350 0.001 0.000 0.259 525 T C 1.995 176.646 174.700 -0.081 0.000 1.092 525 T CA 0.043 62.136 62.100 -0.011 0.000 1.121 525 T CB -0.023 68.817 68.868 -0.048 0.000 0.912 525 T HN -0.022 nan 8.240 nan 0.000 0.489 526 R N 2.542 122.928 120.500 -0.190 0.000 2.189 526 R HA 0.121 4.462 4.340 0.001 0.000 0.223 526 R C 0.628 176.882 176.300 -0.076 0.000 1.092 526 R CA 0.693 56.676 56.100 -0.196 0.000 0.989 526 R CB -0.314 29.789 30.300 -0.328 0.000 0.876 526 R HN 0.847 nan 8.270 nan 0.000 0.457 527 E N -0.025 120.163 120.200 -0.020 0.000 2.255 527 E HA 0.266 4.617 4.350 0.001 0.000 0.245 527 E C -1.180 175.465 176.600 0.074 0.000 0.909 527 E CA -0.685 55.728 56.400 0.021 0.000 0.747 527 E CB 0.519 30.239 29.700 0.034 0.000 1.215 527 E HN -0.152 nan 8.360 nan 0.000 0.424 528 N N 2.395 121.117 118.700 0.036 0.000 2.410 528 N HA 0.028 4.769 4.740 0.001 0.000 0.281 528 N C -0.526 174.951 175.510 -0.055 0.000 1.241 528 N CA 0.189 53.250 53.050 0.018 0.000 0.998 528 N CB 0.702 39.168 38.487 -0.035 0.000 1.376 528 N HN 0.618 nan 8.380 nan 0.000 0.490 529 T N -1.978 112.545 114.554 -0.051 0.000 3.483 529 T HA 0.302 4.653 4.350 0.001 0.000 0.258 529 T C -2.014 172.443 174.700 -0.405 0.000 1.013 529 T CA -1.561 60.457 62.100 -0.138 0.000 1.078 529 T CB 0.882 69.742 68.868 -0.014 0.000 1.111 529 T HN 0.027 nan 8.240 nan 0.000 0.538 530 P HA -0.047 nan 4.420 nan 0.000 0.219 530 P C 2.032 178.875 177.300 -0.762 0.000 1.144 530 P CA 1.098 63.303 63.100 -1.491 0.000 0.806 530 P CB -0.211 30.796 31.700 -1.156 0.000 0.771 531 V N -0.933 118.739 119.914 -0.404 0.000 2.469 531 V HA -0.320 3.801 4.120 0.001 0.000 0.251 531 V C 2.396 178.417 176.094 -0.121 0.000 1.064 531 V CA 2.960 65.135 62.300 -0.208 0.000 1.066 531 V CB -1.877 29.863 31.823 -0.139 0.000 0.667 531 V HN 0.111 nan 8.190 nan 0.000 0.461 532 T N -0.631 113.864 114.554 -0.098 0.000 2.720 532 T HA -0.108 4.243 4.350 0.001 0.000 0.268 532 T C 0.531 175.353 174.700 0.204 0.000 1.037 532 T CA 1.057 63.199 62.100 0.070 0.000 1.144 532 T CB -0.351 68.621 68.868 0.174 0.000 0.864 532 T HN 0.717 nan 8.240 nan 0.000 0.444 533 W N 0.986 122.269 121.300 -0.028 0.000 2.210 533 W HA 0.525 5.185 4.660 0.001 0.000 0.330 533 W C 1.517 178.019 176.519 -0.028 0.000 1.334 533 W CA -1.575 55.751 57.345 -0.031 0.000 1.227 533 W CB -0.574 28.866 29.460 -0.034 0.000 1.178 533 W HN 0.169 nan 8.180 nan 0.000 0.560 534 A N 4.940 127.873 122.820 0.189 0.000 1.948 534 A HA -0.114 4.207 4.320 0.001 0.000 0.220 534 A C -0.979 176.647 177.584 0.070 0.000 1.177 534 A CA 1.020 53.108 52.037 0.086 0.000 0.636 534 A CB -2.129 16.886 19.000 0.026 0.000 0.815 534 A HN 0.429 nan 8.150 nan 0.000 0.449 535 P HA 0.295 nan 4.420 nan 0.000 0.281 535 P C -1.208 176.129 177.300 0.061 0.000 1.252 535 P CA -0.121 63.013 63.100 0.057 0.000 0.778 535 P CB 0.924 32.664 31.700 0.068 0.000 0.895 536 K N 2.689 123.110 120.400 0.035 0.000 2.234 536 K HA 0.368 4.688 4.320 0.001 0.000 0.277 536 K C -0.248 176.380 176.600 0.046 0.000 1.038 536 K CA -0.876 55.435 56.287 0.040 0.000 0.888 536 K CB 0.932 33.457 32.500 0.041 0.000 1.091 536 K HN 0.323 nan 8.250 nan 0.000 0.467 537 L N 4.026 125.272 121.223 0.037 0.000 2.287 537 L HA 0.182 4.522 4.340 0.001 0.000 0.280 537 L C 0.020 176.904 176.870 0.023 0.000 1.055 537 L CA 0.148 55.005 54.840 0.028 0.000 0.863 537 L CB 0.409 42.469 42.059 0.001 0.000 1.245 537 L HN 0.760 nan 8.230 nan 0.000 0.432 538 T N 0.552 115.144 114.554 0.063 0.000 2.888 538 T HA 0.449 4.800 4.350 0.001 0.000 0.283 538 T C 0.340 175.062 174.700 0.036 0.000 1.013 538 T CA -0.532 61.617 62.100 0.083 0.000 0.938 538 T CB 0.592 69.550 68.868 0.150 0.000 1.298 538 T HN 0.472 nan 8.240 nan 0.000 0.580 539 H N -0.250 118.898 119.070 0.130 0.000 2.508 539 H HA 0.607 5.164 4.556 0.001 0.000 0.344 539 H C 0.866 176.277 175.328 0.138 0.000 1.192 539 H CA 0.034 56.163 56.048 0.135 0.000 1.290 539 H CB 1.304 31.128 29.762 0.103 0.000 1.571 539 H HN 1.076 nan 8.280 nan 0.000 0.555 540 T N 0.000 114.722 114.554 0.280 0.000 3.816 540 T HA 0.000 4.351 4.350 0.001 0.000 0.228 540 T CA 0.000 62.206 62.100 0.176 0.000 1.349 540 T CB 0.000 68.961 68.868 0.155 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658