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_D DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTXXXXXXXX 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 VGXSATETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE AXXXXXXXXX XXXGCSLGST 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 0.000 176.404 176.600 -0.327 0.000 0.988 2 K CA 0.000 56.173 56.287 -0.190 0.000 0.838 2 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 3 F N 1.516 121.440 119.950 -0.042 0.000 2.432 3 F HA 0.672 5.200 4.527 0.001 0.000 0.329 3 F C 1.386 177.250 175.800 0.106 0.000 1.076 3 F CA -0.379 57.593 58.000 -0.046 0.000 1.018 3 F CB 2.520 41.375 39.000 -0.242 0.000 1.201 3 F HN 0.597 nan 8.300 nan 0.000 0.489 4 S N 0.839 116.714 115.700 0.291 0.000 2.585 4 S HA 0.306 4.777 4.470 0.001 0.000 0.277 4 S C 0.766 175.592 174.600 0.376 0.000 1.241 4 S CA -0.907 57.450 58.200 0.261 0.000 1.041 4 S CB 1.464 64.756 63.200 0.153 0.000 0.987 4 S HN 0.727 nan 8.310 nan 0.000 0.512 5 K N 1.060 121.632 120.400 0.285 0.000 2.227 5 K HA -0.246 4.075 4.320 0.001 0.000 0.208 5 K C 1.302 178.079 176.600 0.295 0.000 1.045 5 K CA 2.311 58.727 56.287 0.216 0.000 0.931 5 K CB -0.241 32.324 32.500 0.107 0.000 0.721 5 K HN 0.685 nan 8.250 nan 0.000 0.469 6 E N 0.151 120.501 120.200 0.249 0.000 2.385 6 E HA -0.044 4.307 4.350 0.001 0.000 0.194 6 E C 1.204 177.913 176.600 0.182 0.000 1.013 6 E CA 0.435 56.956 56.400 0.203 0.000 0.866 6 E CB 0.256 30.045 29.700 0.148 0.000 0.832 6 E HN 0.276 nan 8.360 nan 0.000 0.500 7 Q N -0.411 119.509 119.800 0.200 0.000 2.444 7 Q HA 0.065 4.405 4.340 0.001 0.000 0.206 7 Q C -0.488 175.459 176.000 -0.087 0.000 0.948 7 Q CA -0.007 55.852 55.803 0.093 0.000 0.946 7 Q CB 0.112 28.949 28.738 0.166 0.000 1.027 7 Q HN 0.203 nan 8.270 nan 0.000 0.513 8 F N 1.578 121.411 119.950 -0.194 0.000 2.438 8 F HA 0.046 4.574 4.527 0.001 0.000 0.360 8 F C 0.398 175.858 175.800 -0.566 0.000 1.118 8 F CA -0.614 57.084 58.000 -0.502 0.000 1.164 8 F CB 0.553 39.180 39.000 -0.622 0.000 1.131 8 F HN -0.149 nan 8.300 nan 0.000 0.527 9 D N 3.954 124.082 120.400 -0.453 0.000 2.428 9 D HA 0.085 4.726 4.640 0.001 0.000 0.221 9 D C 0.137 176.231 176.300 -0.344 0.000 1.123 9 D CA -0.164 53.667 54.000 -0.282 0.000 0.869 9 D CB 0.254 40.936 40.800 -0.197 0.000 1.032 9 D HN 0.418 nan 8.370 nan 0.000 0.506 10 Y N 1.752 121.999 120.300 -0.088 0.000 2.529 10 Y HA -0.003 4.547 4.550 0.001 0.000 0.290 10 Y C 2.363 178.238 175.900 -0.040 0.000 1.177 10 Y CA -0.200 57.827 58.100 -0.121 0.000 1.305 10 Y CB 0.086 38.476 38.460 -0.116 0.000 1.047 10 Y HN 0.290 nan 8.280 nan 0.000 0.522 11 S N 0.699 116.444 115.700 0.074 0.000 2.452 11 S HA -0.244 4.227 4.470 0.001 0.000 0.253 11 S C 0.624 175.267 174.600 0.072 0.000 1.061 11 S CA 1.447 59.686 58.200 0.064 0.000 1.273 11 S CB -0.602 62.613 63.200 0.025 0.000 1.191 11 S HN 0.270 nan 8.310 nan 0.000 0.430 12 L N 1.405 122.656 121.223 0.048 0.000 2.337 12 L HA 0.416 4.757 4.340 0.001 0.000 0.269 12 L C -1.375 175.557 176.870 0.102 0.000 1.018 12 L CA -0.568 54.307 54.840 0.059 0.000 0.876 12 L CB 0.617 42.690 42.059 0.024 0.000 1.236 12 L HN 0.311 nan 8.230 nan 0.000 0.436 13 Y N 5.681 125.969 120.300 -0.020 0.000 2.477 13 Y HA 0.393 4.943 4.550 0.001 0.000 0.349 13 Y C -0.851 175.029 175.900 -0.035 0.000 0.977 13 Y CA -1.408 56.678 58.100 -0.023 0.000 1.214 13 Y CB 1.163 39.630 38.460 0.011 0.000 1.124 13 Y HN 0.581 nan 8.280 nan 0.000 0.521 14 L N 7.865 129.236 121.223 0.246 0.000 2.295 14 L HA 0.395 4.736 4.340 0.001 0.000 0.288 14 L C -1.100 175.784 176.870 0.024 0.000 1.079 14 L CA -0.160 54.718 54.840 0.062 0.000 0.830 14 L CB 0.351 42.426 42.059 0.027 0.000 1.200 14 L HN 0.338 nan 8.230 nan 0.000 0.438 15 V N 4.586 124.424 119.914 -0.126 0.000 2.385 15 V HA 0.304 4.424 4.120 0.001 0.000 0.269 15 V C 0.756 176.800 176.094 -0.084 0.000 1.043 15 V CA -0.231 61.976 62.300 -0.155 0.000 0.906 15 V CB 0.930 32.580 31.823 -0.288 0.000 0.995 15 V HN 0.884 nan 8.190 nan 0.000 0.467 16 T N 0.909 115.439 114.554 -0.040 0.000 2.897 16 T HA 0.331 4.682 4.350 0.001 0.000 0.294 16 T C -0.386 174.289 174.700 -0.042 0.000 1.004 16 T CA -0.611 61.469 62.100 -0.033 0.000 1.106 16 T CB 1.369 70.227 68.868 -0.016 0.000 0.949 16 T HN 0.626 nan 8.240 nan 0.000 0.520 17 D N 2.078 122.456 120.400 -0.037 0.000 2.408 17 D HA 0.254 4.895 4.640 0.001 0.000 0.261 17 D C 1.119 177.404 176.300 -0.025 0.000 1.190 17 D CA -0.457 53.521 54.000 -0.037 0.000 0.910 17 D CB 1.426 42.206 40.800 -0.033 0.000 1.097 17 D HN 0.544 nan 8.370 nan 0.000 0.522 18 S N 2.057 117.740 115.700 -0.029 0.000 2.380 18 S HA -0.139 4.332 4.470 0.001 0.000 0.229 18 S C 1.582 176.185 174.600 0.005 0.000 1.043 18 S CA 1.664 59.861 58.200 -0.005 0.000 1.038 18 S CB -0.181 63.017 63.200 -0.002 0.000 0.872 18 S HN 0.582 nan 8.310 nan 0.000 0.456 19 G N 1.444 110.240 108.800 -0.006 0.000 3.455 19 G HA2 0.422 4.383 3.960 0.001 0.000 0.250 19 G HA3 0.422 4.383 3.960 0.001 0.000 0.250 19 G C 0.242 175.141 174.900 -0.002 0.000 1.071 19 G CA 0.026 45.125 45.100 -0.003 0.000 1.812 19 G HN 0.698 nan 8.290 nan 0.000 0.643 20 M N -1.540 118.060 119.600 0.001 0.000 5.540 20 M HA 0.348 4.829 4.480 0.001 0.000 0.662 20 M C -1.221 175.082 176.300 0.005 0.000 2.370 20 M CA -0.355 54.946 55.300 0.002 0.000 0.329 20 M CB -0.451 32.150 32.600 0.000 0.000 1.452 20 M HN -0.119 nan 8.290 nan 0.000 0.702 21 I N 3.103 123.679 120.570 0.009 0.000 2.428 21 I HA 0.444 4.615 4.170 0.001 0.000 0.289 21 I C -1.909 174.215 176.117 0.012 0.000 1.019 21 I CA -1.684 59.624 61.300 0.013 0.000 1.351 21 I CB 0.866 38.880 38.000 0.023 0.000 1.412 21 I HN 0.130 nan 8.210 nan 0.000 0.513 22 P HA 0.117 nan 4.420 nan 0.000 0.271 22 P C -0.621 176.686 177.300 0.012 0.000 1.218 22 P CA -0.402 62.703 63.100 0.009 0.000 0.780 22 P CB 0.418 32.123 31.700 0.008 0.000 0.901 23 E N 0.940 121.145 120.200 0.008 0.000 2.437 23 E HA 0.181 4.532 4.350 0.001 0.000 0.263 23 E C 1.137 177.744 176.600 0.012 0.000 1.030 23 E CA 0.873 57.279 56.400 0.009 0.000 0.934 23 E CB -0.123 29.580 29.700 0.005 0.000 0.943 23 E HN 0.806 nan 8.360 nan 0.000 0.444 24 G N 2.268 111.077 108.800 0.014 0.000 2.162 24 G HA2 -0.322 3.638 3.960 0.001 0.000 0.260 24 G HA3 -0.322 3.638 3.960 0.001 0.000 0.260 24 G C -0.007 174.908 174.900 0.024 0.000 0.976 24 G CA 0.581 45.691 45.100 0.017 0.000 0.655 24 G HN 0.407 nan 8.290 nan 0.000 0.533 25 K N 0.457 120.873 120.400 0.027 0.000 2.422 25 K HA 0.618 4.938 4.320 0.001 0.000 0.251 25 K C 0.306 176.934 176.600 0.047 0.000 0.933 25 K CA -0.200 56.108 56.287 0.036 0.000 0.798 25 K CB 1.879 34.396 32.500 0.029 0.000 1.238 25 K HN 0.235 nan 8.250 nan 0.000 0.428 26 T N -0.890 113.704 114.554 0.066 0.000 2.923 26 T HA 0.227 4.578 4.350 0.001 0.000 0.281 26 T C 0.920 175.673 174.700 0.088 0.000 0.995 26 T CA -0.872 61.281 62.100 0.088 0.000 0.985 26 T CB 0.907 69.848 68.868 0.121 0.000 1.114 26 T HN 0.385 nan 8.240 nan 0.000 0.548 27 L N -0.254 121.029 121.223 0.101 0.000 2.109 27 L HA 0.107 4.448 4.340 0.001 0.000 0.207 27 L C 2.251 179.170 176.870 0.081 0.000 1.086 27 L CA 1.487 56.371 54.840 0.074 0.000 0.760 27 L CB -1.202 40.899 42.059 0.070 0.000 0.910 27 L HN 0.808 nan 8.230 nan 0.000 0.437 28 Y N 0.008 120.315 120.300 0.011 0.000 2.145 28 Y HA -0.164 4.387 4.550 0.001 0.000 0.286 28 Y C 2.322 178.223 175.900 0.001 0.000 1.145 28 Y CA 1.964 60.068 58.100 0.006 0.000 1.148 28 Y CB -0.703 37.766 38.460 0.015 0.000 0.981 28 Y HN 0.232 nan 8.280 nan 0.000 0.507 29 G N -0.328 108.593 108.800 0.202 0.000 2.491 29 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 29 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 29 G C 1.442 176.354 174.900 0.019 0.000 1.180 29 G CA 1.127 46.296 45.100 0.116 0.000 0.774 29 G HN 0.332 nan 8.290 nan 0.000 0.562 30 Q N 0.181 119.985 119.800 0.006 0.000 1.993 30 Q HA -0.040 4.301 4.340 0.001 0.000 0.202 30 Q C 3.007 178.965 176.000 -0.070 0.000 0.984 30 Q CA 1.199 56.989 55.803 -0.022 0.000 0.837 30 Q CB -1.234 27.498 28.738 -0.011 0.000 0.902 30 Q HN 0.355 nan 8.270 nan 0.000 0.423 31 V N 1.674 121.529 119.914 -0.098 0.000 2.688 31 V HA -0.252 3.869 4.120 0.001 0.000 0.256 31 V C 2.284 178.232 176.094 -0.243 0.000 1.084 31 V CA 1.994 64.202 62.300 -0.153 0.000 1.103 31 V CB -0.609 31.120 31.823 -0.157 0.000 0.688 31 V HN 0.435 nan 8.190 nan 0.000 0.480 32 E N 0.572 120.607 120.200 -0.275 0.000 2.016 32 E HA -0.166 4.184 4.350 0.001 0.000 0.190 32 E C 2.322 178.808 176.600 -0.189 0.000 0.985 32 E CA 1.188 57.407 56.400 -0.302 0.000 0.802 32 E CB -0.328 29.233 29.700 -0.232 0.000 0.762 32 E HN 0.483 nan 8.360 nan 0.000 0.448 33 A N 0.922 123.684 122.820 -0.098 0.000 1.903 33 A HA -0.206 4.115 4.320 0.001 0.000 0.219 33 A C 2.466 180.009 177.584 -0.069 0.000 1.191 33 A CA 2.157 54.161 52.037 -0.054 0.000 0.638 33 A CB -1.626 17.359 19.000 -0.026 0.000 0.823 33 A HN 0.498 nan 8.150 nan 0.000 0.451 34 G N -0.957 107.792 108.800 -0.086 0.000 2.470 34 G HA2 -0.059 3.901 3.960 0.001 0.000 0.220 34 G HA3 -0.059 3.901 3.960 0.001 0.000 0.220 34 G C 1.485 176.323 174.900 -0.103 0.000 1.121 34 G CA 0.972 46.026 45.100 -0.078 0.000 0.766 34 G HN 0.455 nan 8.290 nan 0.000 0.553 35 L N -0.677 120.435 121.223 -0.186 0.000 2.162 35 L HA 0.033 4.374 4.340 0.001 0.000 0.205 35 L C 3.004 179.806 176.870 -0.114 0.000 1.086 35 L CA 0.632 55.319 54.840 -0.256 0.000 0.778 35 L CB -0.207 41.470 42.059 -0.636 0.000 0.928 35 L HN 0.217 nan 8.230 nan 0.000 0.446 36 Q N -0.156 119.606 119.800 -0.062 0.000 2.297 36 Q HA -0.065 4.276 4.340 0.001 0.000 0.204 36 Q C 0.851 176.874 176.000 0.037 0.000 0.962 36 Q CA 0.822 56.666 55.803 0.069 0.000 0.879 36 Q CB 0.140 28.924 28.738 0.077 0.000 0.947 36 Q HN 0.540 nan 8.270 nan 0.000 0.462 37 N N -1.767 116.934 118.700 0.003 0.000 2.197 37 N HA 0.148 4.889 4.740 0.001 0.000 0.228 37 N C 0.467 175.976 175.510 -0.001 0.000 1.212 37 N CA 0.717 53.769 53.050 0.004 0.000 0.883 37 N CB 2.021 40.508 38.487 -0.000 0.000 1.107 37 N HN 0.256 nan 8.380 nan 0.000 0.519 38 G N 0.562 109.357 108.800 -0.008 0.000 4.386 38 G HA2 -0.058 3.902 3.960 0.001 0.000 0.185 38 G HA3 -0.058 3.902 3.960 0.001 0.000 0.185 38 G C 0.373 175.259 174.900 -0.023 0.000 1.725 38 G CA -0.060 45.034 45.100 -0.010 0.000 0.941 38 G HN 0.229 nan 8.290 nan 0.000 0.315 39 V N 2.118 122.012 119.914 -0.033 0.000 2.839 39 V HA 0.354 4.475 4.120 0.001 0.000 0.296 39 V C 1.446 177.503 176.094 -0.062 0.000 1.239 39 V CA 2.597 64.874 62.300 -0.039 0.000 1.349 39 V CB -0.018 31.773 31.823 -0.053 0.000 0.852 39 V HN 1.491 nan 8.190 nan 0.000 0.504 40 T N 1.482 115.989 114.554 -0.077 0.000 3.111 40 T HA 0.601 4.952 4.350 0.001 0.000 0.284 40 T C -0.256 174.299 174.700 -0.242 0.000 0.983 40 T CA 0.436 62.453 62.100 -0.139 0.000 0.900 40 T CB 0.227 69.020 68.868 -0.125 0.000 1.132 40 T HN 1.536 nan 8.240 nan 0.000 0.531 41 L N 0.915 122.022 121.223 -0.194 0.000 2.666 41 L HA 0.671 5.011 4.340 0.001 0.000 0.259 41 L C -1.973 174.868 176.870 -0.049 0.000 0.919 41 L CA -0.599 54.072 54.840 -0.282 0.000 0.927 41 L CB 2.236 43.943 42.059 -0.587 0.000 1.423 41 L HN 0.034 nan 8.230 nan 0.000 0.426 42 V N 4.055 123.962 119.914 -0.012 0.000 2.588 42 V HA 0.595 4.716 4.120 0.001 0.000 0.304 42 V C -0.610 175.616 176.094 0.220 0.000 1.042 42 V CA -0.487 61.884 62.300 0.118 0.000 0.877 42 V CB 1.774 33.609 31.823 0.021 0.000 0.996 42 V HN 0.823 nan 8.190 nan 0.000 0.425 43 Q N 4.443 124.424 119.800 0.302 0.000 2.316 43 Q HA 0.680 5.021 4.340 0.001 0.000 0.264 43 Q C -1.529 174.551 176.000 0.134 0.000 0.987 43 Q CA -0.621 55.340 55.803 0.263 0.000 0.852 43 Q CB 1.969 30.880 28.738 0.287 0.000 1.287 43 Q HN 0.740 nan 8.270 nan 0.000 0.448 44 I N 3.531 124.190 120.570 0.149 0.000 2.359 44 I HA 0.439 4.609 4.170 0.001 0.000 0.294 44 I C -0.164 176.022 176.117 0.116 0.000 0.987 44 I CA -0.647 60.723 61.300 0.118 0.000 1.225 44 I CB 1.550 39.660 38.000 0.184 0.000 1.366 44 I HN 0.559 nan 8.210 nan 0.000 0.466 45 R N 4.804 125.303 120.500 -0.003 0.000 2.514 45 R HA 0.483 4.824 4.340 0.001 0.000 0.301 45 R C -0.804 175.332 176.300 -0.274 0.000 0.962 45 R CA -0.695 55.374 56.100 -0.051 0.000 0.882 45 R CB 1.639 31.911 30.300 -0.046 0.000 1.143 45 R HN 0.400 nan 8.270 nan 0.000 0.452 46 E N 2.167 122.115 120.200 -0.420 0.000 3.626 46 E HA 0.089 4.440 4.350 0.001 0.000 0.245 46 E C -0.831 175.616 176.600 -0.256 0.000 1.236 46 E CA -0.377 55.637 56.400 -0.644 0.000 1.072 46 E CB 1.265 29.911 29.700 -1.757 0.000 1.309 46 E HN 0.633 nan 8.360 nan 0.000 0.400 47 K N 1.909 122.237 120.400 -0.119 0.000 2.477 47 K HA -0.068 4.253 4.320 0.001 0.000 0.275 47 K C 0.630 177.200 176.600 -0.049 0.000 1.054 47 K CA 1.068 57.327 56.287 -0.046 0.000 1.135 47 K CB -0.525 31.956 32.500 -0.033 0.000 0.854 47 K HN 0.440 nan 8.250 nan 0.000 0.484 48 D N -1.863 118.533 120.400 -0.007 0.000 2.265 48 D HA -0.183 4.457 4.640 0.001 0.000 0.165 48 D C 0.734 177.048 176.300 0.023 0.000 1.190 48 D CA 1.838 55.843 54.000 0.008 0.000 1.121 48 D CB -1.424 39.376 40.800 -0.001 0.000 1.158 48 D HN 1.135 nan 8.370 nan 0.000 0.481 49 A N 0.701 123.535 122.820 0.023 0.000 2.250 49 A HA 0.367 4.688 4.320 0.001 0.000 0.283 49 A C 0.104 177.773 177.584 0.142 0.000 1.206 49 A CA 0.035 52.127 52.037 0.092 0.000 0.840 49 A CB 0.464 19.579 19.000 0.191 0.000 1.220 49 A HN -0.009 nan 8.150 nan 0.000 0.505 50 D N 0.516 121.039 120.400 0.204 0.000 2.317 50 D HA 0.235 4.875 4.640 0.001 0.000 0.252 50 D C 1.342 177.806 176.300 0.273 0.000 1.174 50 D CA 0.779 54.898 54.000 0.200 0.000 0.866 50 D CB 1.248 42.149 40.800 0.169 0.000 1.127 50 D HN 0.609 nan 8.370 nan 0.000 0.467 51 T N 0.369 115.061 114.554 0.231 0.000 3.118 51 T HA -0.200 4.151 4.350 0.001 0.000 0.269 51 T C 1.239 176.050 174.700 0.184 0.000 1.166 51 T CA 1.176 63.430 62.100 0.258 0.000 1.073 51 T CB 0.076 69.045 68.868 0.168 0.000 0.884 51 T HN 0.369 nan 8.240 nan 0.000 0.550 52 K N -1.057 119.456 120.400 0.188 0.000 2.287 52 K HA 0.142 4.462 4.320 0.001 0.000 0.199 52 K C 1.801 178.512 176.600 0.186 0.000 1.061 52 K CA 0.111 56.483 56.287 0.141 0.000 0.976 52 K CB -0.224 32.346 32.500 0.116 0.000 0.898 52 K HN 0.325 nan 8.250 nan 0.000 0.492 53 F N 1.546 121.565 119.950 0.114 0.000 2.146 53 F HA -0.139 4.388 4.527 0.001 0.000 0.298 53 F C 1.793 177.705 175.800 0.188 0.000 1.096 53 F CA 0.931 58.999 58.000 0.112 0.000 1.275 53 F CB -0.404 38.643 39.000 0.079 0.000 1.008 53 F HN 0.043 nan 8.300 nan 0.000 0.480 54 F N 1.812 121.678 119.950 -0.139 0.000 2.045 54 F HA -0.307 4.220 4.527 0.001 0.000 0.297 54 F C 2.187 177.858 175.800 -0.215 0.000 1.114 54 F CA 1.914 59.794 58.000 -0.200 0.000 1.207 54 F CB -1.191 37.797 39.000 -0.021 0.000 0.964 54 F HN 0.061 nan 8.300 nan 0.000 0.486 55 I N -0.196 120.394 120.570 0.033 0.000 2.454 55 I HA -0.273 3.898 4.170 0.001 0.000 0.254 55 I C 2.084 178.161 176.117 -0.066 0.000 1.156 55 I CA 1.500 62.741 61.300 -0.098 0.000 1.433 55 I CB -0.590 37.354 38.000 -0.092 0.000 1.082 55 I HN 0.288 nan 8.210 nan 0.000 0.432 56 E N 0.447 120.597 120.200 -0.084 0.000 2.170 56 E HA -0.174 4.177 4.350 0.001 0.000 0.191 56 E C 2.031 178.560 176.600 -0.119 0.000 0.981 56 E CA 0.513 56.865 56.400 -0.080 0.000 0.830 56 E CB 0.080 29.759 29.700 -0.035 0.000 0.775 56 E HN 0.414 nan 8.360 nan 0.000 0.470 57 E N 0.523 120.575 120.200 -0.246 0.000 2.107 57 E HA -0.127 4.224 4.350 0.001 0.000 0.191 57 E C 1.981 178.564 176.600 -0.029 0.000 0.982 57 E CA 0.766 57.051 56.400 -0.192 0.000 0.809 57 E CB 0.038 29.508 29.700 -0.384 0.000 0.756 57 E HN 0.203 nan 8.360 nan 0.000 0.459 58 A N 0.895 123.725 122.820 0.018 0.000 1.898 58 A HA -0.124 4.197 4.320 0.001 0.000 0.216 58 A C 2.132 179.712 177.584 -0.006 0.000 1.181 58 A CA 0.849 52.912 52.037 0.043 0.000 0.620 58 A CB -0.529 18.482 19.000 0.018 0.000 0.819 58 A HN 0.254 nan 8.150 nan 0.000 0.442 59 L N -0.924 120.284 121.223 -0.024 0.000 2.093 59 L HA -0.203 4.138 4.340 0.001 0.000 0.208 59 L C 2.892 179.763 176.870 0.002 0.000 1.085 59 L CA 1.664 56.490 54.840 -0.024 0.000 0.755 59 L CB -0.435 41.610 42.059 -0.023 0.000 0.904 59 L HN 0.588 nan 8.230 nan 0.000 0.435 60 Q N 0.329 120.143 119.800 0.024 0.000 2.167 60 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 60 Q C 2.186 178.291 176.000 0.174 0.000 0.970 60 Q CA 1.363 57.215 55.803 0.081 0.000 0.855 60 Q CB 0.148 28.923 28.738 0.062 0.000 0.911 60 Q HN 0.553 nan 8.270 nan 0.000 0.438 61 I N 0.035 120.669 120.570 0.107 0.000 2.852 61 I HA -0.132 4.039 4.170 0.001 0.000 0.264 61 I C 2.317 178.425 176.117 -0.014 0.000 1.179 61 I CA 0.405 61.741 61.300 0.060 0.000 1.480 61 I CB -0.076 37.941 38.000 0.027 0.000 1.111 61 I HN 0.133 nan 8.210 nan 0.000 0.441 62 K N 1.240 121.609 120.400 -0.052 0.000 2.211 62 K HA -0.173 4.148 4.320 0.001 0.000 0.203 62 K C 1.762 178.238 176.600 -0.207 0.000 1.050 62 K CA 1.217 57.388 56.287 -0.194 0.000 0.945 62 K CB 0.161 32.512 32.500 -0.248 0.000 0.732 62 K HN 0.323 nan 8.250 nan 0.000 0.451 63 E N 0.692 120.868 120.200 -0.040 0.000 2.072 63 E HA -0.154 4.196 4.350 0.001 0.000 0.190 63 E C 2.033 178.702 176.600 0.115 0.000 0.982 63 E CA 0.624 57.055 56.400 0.052 0.000 0.803 63 E CB 0.021 29.775 29.700 0.091 0.000 0.755 63 E HN 0.281 nan 8.360 nan 0.000 0.453 64 L N 0.583 121.873 121.223 0.110 0.000 1.994 64 L HA -0.246 4.094 4.340 0.001 0.000 0.208 64 L C 2.404 179.328 176.870 0.090 0.000 1.071 64 L CA 1.329 56.206 54.840 0.061 0.000 0.745 64 L CB -0.251 41.660 42.059 -0.246 0.000 0.892 64 L HN 0.355 nan 8.230 nan 0.000 0.431 65 C N -0.716 118.600 119.300 0.026 0.000 2.442 65 C HA -0.197 4.264 4.460 0.001 0.000 0.279 65 C C 2.582 177.722 174.990 0.250 0.000 1.237 65 C CA 0.635 59.698 59.018 0.074 0.000 1.722 65 C CB -1.402 26.355 27.740 0.029 0.000 2.056 65 C HN 0.585 nan 8.230 nan 0.000 0.469 66 H N 0.949 120.088 119.070 0.114 0.000 2.431 66 H HA -0.114 4.443 4.556 0.001 0.000 0.297 66 H C 2.288 177.674 175.328 0.097 0.000 1.115 66 H CA 1.817 57.938 56.048 0.122 0.000 1.277 66 H CB -0.762 29.046 29.762 0.076 0.000 1.372 66 H HN 0.527 nan 8.280 nan 0.000 0.516 67 A N -0.023 122.941 122.820 0.241 0.000 1.969 67 A HA -0.154 4.167 4.320 0.001 0.000 0.218 67 A C 1.287 178.898 177.584 0.045 0.000 1.169 67 A CA 1.439 53.556 52.037 0.133 0.000 0.635 67 A CB -0.360 18.725 19.000 0.143 0.000 0.810 67 A HN 0.466 nan 8.150 nan 0.000 0.445 68 H N -1.614 117.485 119.070 0.049 0.000 2.517 68 H HA 0.192 4.749 4.556 0.001 0.000 0.282 68 H C 0.644 175.996 175.328 0.039 0.000 1.023 68 H CA 0.260 56.323 56.048 0.024 0.000 1.169 68 H CB -0.066 29.694 29.762 -0.003 0.000 1.454 68 H HN 0.552 nan 8.280 nan 0.000 0.556 69 N N 0.033 118.837 118.700 0.174 0.000 2.714 69 N HA -0.190 4.551 4.740 0.001 0.000 0.250 69 N C -0.788 174.876 175.510 0.257 0.000 1.117 69 N CA 0.783 53.956 53.050 0.205 0.000 0.719 69 N CB -1.108 37.442 38.487 0.105 0.000 1.081 69 N HN 0.278 nan 8.380 nan 0.000 0.557 70 V N -0.471 119.535 119.914 0.152 0.000 2.459 70 V HA 0.780 4.901 4.120 0.001 0.000 0.295 70 V C -2.227 173.759 176.094 -0.179 0.000 1.029 70 V CA -1.832 60.380 62.300 -0.145 0.000 0.874 70 V CB 1.673 33.421 31.823 -0.124 0.000 0.985 70 V HN 0.009 nan 8.190 nan 0.000 0.438 71 P HA 0.285 nan 4.420 nan 0.000 0.271 71 P C -1.201 176.036 177.300 -0.106 0.000 1.233 71 P CA -0.207 62.605 63.100 -0.481 0.000 0.789 71 P CB 0.546 31.580 31.700 -1.110 0.000 0.951 72 L N 2.065 123.332 121.223 0.072 0.000 2.362 72 L HA 0.558 4.899 4.340 0.001 0.000 0.275 72 L C -1.091 175.870 176.870 0.152 0.000 0.998 72 L CA -0.313 54.575 54.840 0.080 0.000 0.820 72 L CB 0.856 42.940 42.059 0.041 0.000 1.270 72 L HN 0.233 nan 8.230 nan 0.000 0.415 73 I N 5.164 125.845 120.570 0.184 0.000 2.740 73 I HA 0.490 4.660 4.170 0.001 0.000 0.303 73 I C -0.868 175.397 176.117 0.248 0.000 1.044 73 I CA -0.719 60.735 61.300 0.257 0.000 1.064 73 I CB 2.282 40.496 38.000 0.358 0.000 1.249 73 I HN 0.512 nan 8.210 nan 0.000 0.433 74 I N 4.111 124.827 120.570 0.244 0.000 2.545 74 I HA 0.304 4.474 4.170 0.001 0.000 0.292 74 I C -0.608 175.661 176.117 0.253 0.000 1.040 74 I CA -0.307 61.134 61.300 0.234 0.000 1.068 74 I CB 2.089 40.181 38.000 0.154 0.000 1.251 74 I HN 0.551 nan 8.210 nan 0.000 0.424 75 N N 4.128 122.990 118.700 0.270 0.000 2.354 75 N HA 0.351 5.091 4.740 0.001 0.000 0.287 75 N C -1.386 174.271 175.510 0.246 0.000 1.016 75 N CA -0.560 52.637 53.050 0.245 0.000 0.871 75 N CB 1.352 39.955 38.487 0.193 0.000 1.299 75 N HN 0.665 nan 8.380 nan 0.000 0.482 76 D N 1.928 122.456 120.400 0.212 0.000 2.891 76 D HA 0.163 4.803 4.640 0.001 0.000 0.332 76 D C -0.524 175.860 176.300 0.140 0.000 1.369 76 D CA -0.387 53.719 54.000 0.177 0.000 0.827 76 D CB 0.240 41.135 40.800 0.158 0.000 1.141 76 D HN 0.254 nan 8.370 nan 0.000 0.464 77 R N 0.868 121.455 120.500 0.144 0.000 2.825 77 R HA 0.280 4.621 4.340 0.001 0.000 0.261 77 R C 0.457 176.772 176.300 0.024 0.000 1.341 77 R CA -0.486 55.661 56.100 0.077 0.000 1.353 77 R CB 0.301 30.635 30.300 0.057 0.000 1.191 77 R HN 0.134 nan 8.270 nan 0.000 0.590 78 I N 1.776 122.367 120.570 0.034 0.000 2.185 78 I HA -0.410 3.761 4.170 0.001 0.000 0.246 78 I C 2.015 178.128 176.117 -0.006 0.000 1.088 78 I CA 1.782 63.093 61.300 0.019 0.000 1.347 78 I CB -0.349 37.660 38.000 0.016 0.000 1.041 78 I HN 0.544 nan 8.210 nan 0.000 0.415 79 D N 0.603 120.994 120.400 -0.016 0.000 2.084 79 D HA -0.151 4.490 4.640 0.001 0.000 0.194 79 D C 2.096 178.354 176.300 -0.070 0.000 0.990 79 D CA 1.524 55.505 54.000 -0.032 0.000 0.826 79 D CB -1.210 39.576 40.800 -0.023 0.000 0.971 79 D HN 0.235 nan 8.370 nan 0.000 0.453 80 V N 1.049 120.886 119.914 -0.128 0.000 2.453 80 V HA -0.235 3.886 4.120 0.001 0.000 0.252 80 V C 2.711 178.704 176.094 -0.169 0.000 1.068 80 V CA 1.896 64.053 62.300 -0.238 0.000 1.070 80 V CB -1.097 30.405 31.823 -0.536 0.000 0.664 80 V HN 0.448 nan 8.190 nan 0.000 0.461 81 A N -0.566 122.198 122.820 -0.094 0.000 1.840 81 A HA -0.176 4.144 4.320 0.001 0.000 0.214 81 A C 2.248 179.825 177.584 -0.011 0.000 1.198 81 A CA 1.982 54.001 52.037 -0.031 0.000 0.608 81 A CB -0.479 18.532 19.000 0.019 0.000 0.839 81 A HN 0.438 nan 8.150 nan 0.000 0.443 82 M N -0.303 119.291 119.600 -0.009 0.000 2.106 82 M HA -0.230 4.251 4.480 0.001 0.000 0.259 82 M C 2.504 178.798 176.300 -0.010 0.000 1.068 82 M CA 1.616 56.916 55.300 -0.001 0.000 1.100 82 M CB -0.453 32.145 32.600 -0.004 0.000 1.351 82 M HN 0.518 nan 8.290 nan 0.000 0.404 83 A N 0.860 123.661 122.820 -0.031 0.000 1.865 83 A HA -0.166 4.155 4.320 0.001 0.000 0.217 83 A C 1.879 179.443 177.584 -0.032 0.000 1.191 83 A CA 1.926 53.941 52.037 -0.036 0.000 0.623 83 A CB -1.032 17.933 19.000 -0.059 0.000 0.826 83 A HN 0.715 nan 8.150 nan 0.000 0.444 84 I N -3.670 116.873 120.570 -0.045 0.000 3.810 84 I HA 0.487 4.658 4.170 0.001 0.000 0.322 84 I C 0.975 177.089 176.117 -0.006 0.000 1.288 84 I CA 0.388 61.666 61.300 -0.037 0.000 1.143 84 I CB -0.533 37.428 38.000 -0.065 0.000 1.012 84 I HN 0.384 nan 8.210 nan 0.000 0.423 85 G N 1.868 110.677 108.800 0.015 0.000 2.350 85 G HA2 -0.169 3.791 3.960 0.001 0.000 0.298 85 G HA3 -0.169 3.791 3.960 0.001 0.000 0.298 85 G C 0.309 175.260 174.900 0.085 0.000 1.037 85 G CA 0.148 45.279 45.100 0.052 0.000 1.074 85 G HN 0.975 nan 8.290 nan 0.000 0.511 86 A N -0.482 122.382 122.820 0.073 0.000 2.332 86 A HA 0.623 4.944 4.320 0.001 0.000 0.258 86 A C 1.186 178.876 177.584 0.178 0.000 1.087 86 A CA 0.329 52.430 52.037 0.107 0.000 0.802 86 A CB 0.497 19.545 19.000 0.080 0.000 1.042 86 A HN 0.279 nan 8.150 nan 0.000 0.489 87 D N 0.134 120.683 120.400 0.248 0.000 2.333 87 D HA 0.247 4.888 4.640 0.001 0.000 0.208 87 D C 0.765 177.276 176.300 0.351 0.000 0.984 87 D CA 1.550 55.760 54.000 0.350 0.000 0.873 87 D CB 0.461 41.516 40.800 0.425 0.000 0.935 87 D HN 0.739 nan 8.370 nan 0.000 0.521 88 G N 0.635 109.595 108.800 0.267 0.000 2.523 88 G HA2 0.506 4.467 3.960 0.001 0.000 0.291 88 G HA3 0.506 4.467 3.960 0.001 0.000 0.291 88 G C -1.635 173.392 174.900 0.212 0.000 1.450 88 G CA -0.821 44.413 45.100 0.225 0.000 0.790 88 G HN 0.086 nan 8.290 nan 0.000 0.496 89 I N -1.650 119.034 120.570 0.189 0.000 2.619 89 I HA 0.628 4.799 4.170 0.001 0.000 0.292 89 I C -1.456 174.787 176.117 0.210 0.000 1.100 89 I CA -0.994 60.420 61.300 0.191 0.000 1.043 89 I CB 2.663 40.731 38.000 0.114 0.000 1.239 89 I HN 0.576 nan 8.210 nan 0.000 0.420 90 H N 6.235 125.417 119.070 0.186 0.000 2.504 90 H HA 0.647 5.204 4.556 0.001 0.000 0.322 90 H C -1.202 174.206 175.328 0.134 0.000 1.055 90 H CA -0.299 55.849 56.048 0.165 0.000 1.231 90 H CB 2.044 31.955 29.762 0.247 0.000 1.417 90 H HN 0.712 nan 8.280 nan 0.000 0.472 91 V N 2.721 122.636 119.914 0.001 0.000 3.046 91 V HA 0.875 4.996 4.120 0.001 0.000 0.316 91 V C 0.177 176.368 176.094 0.162 0.000 1.104 91 V CA -0.353 62.031 62.300 0.141 0.000 1.006 91 V CB 1.644 33.544 31.823 0.127 0.000 1.058 91 V HN 0.758 nan 8.190 nan 0.000 0.440 92 G N 0.577 109.481 108.800 0.173 0.000 2.642 92 G HA2 0.444 4.405 3.960 0.001 0.000 0.291 92 G HA3 0.444 4.405 3.960 0.001 0.000 0.291 92 G C 0.008 174.950 174.900 0.070 0.000 1.345 92 G CA -0.097 45.050 45.100 0.078 0.000 1.043 92 G HN 0.816 nan 8.290 nan 0.000 0.528 93 Q N -1.065 118.692 119.800 -0.072 0.000 2.230 93 Q HA 0.008 4.348 4.340 0.001 0.000 0.202 93 Q C 1.233 177.281 176.000 0.080 0.000 0.963 93 Q CA 1.380 57.148 55.803 -0.059 0.000 0.866 93 Q CB 0.174 28.809 28.738 -0.172 0.000 0.931 93 Q HN 0.504 nan 8.270 nan 0.000 0.452 94 D N 0.207 120.642 120.400 0.060 0.000 2.340 94 D HA 0.055 4.696 4.640 0.001 0.000 0.217 94 D C -0.441 175.909 176.300 0.082 0.000 1.081 94 D CA 0.150 54.188 54.000 0.064 0.000 0.842 94 D CB 0.230 41.055 40.800 0.042 0.000 0.934 94 D HN 0.224 nan 8.370 nan 0.000 0.511 95 D N -0.052 120.416 120.400 0.114 0.000 2.529 95 D HA 0.115 4.756 4.640 0.001 0.000 0.273 95 D C 0.643 177.008 176.300 0.109 0.000 1.197 95 D CA -0.619 53.446 54.000 0.110 0.000 1.070 95 D CB 0.911 41.784 40.800 0.122 0.000 1.134 95 D HN -0.070 nan 8.370 nan 0.000 0.590 96 M N 1.280 120.927 119.600 0.078 0.000 2.286 96 M HA 0.035 4.516 4.480 0.001 0.000 0.365 96 M C -2.219 174.099 176.300 0.031 0.000 1.443 96 M CA -0.474 54.854 55.300 0.046 0.000 0.951 96 M CB 0.373 32.989 32.600 0.026 0.000 1.961 96 M HN -0.069 nan 8.290 nan 0.000 0.468 97 P HA -0.107 nan 4.420 nan 0.000 0.264 97 P C 0.546 177.778 177.300 -0.113 0.000 1.179 97 P CA -0.023 63.059 63.100 -0.030 0.000 0.763 97 P CB 0.331 32.017 31.700 -0.023 0.000 0.806 98 I N 5.024 125.449 120.570 -0.241 0.000 2.233 98 I HA -0.098 4.073 4.170 0.001 0.000 0.243 98 I C -0.589 175.402 176.117 -0.210 0.000 1.093 98 I CA 1.672 62.783 61.300 -0.314 0.000 1.380 98 I CB -2.708 34.950 38.000 -0.571 0.000 1.067 98 I HN 0.367 nan 8.210 nan 0.000 0.413 99 P HA -0.230 nan 4.420 nan 0.000 0.217 99 P C 2.070 179.312 177.300 -0.096 0.000 1.158 99 P CA 1.917 64.939 63.100 -0.129 0.000 0.887 99 P CB -0.163 31.473 31.700 -0.106 0.000 0.792 100 M N -1.368 118.185 119.600 -0.079 0.000 2.106 100 M HA -0.163 4.318 4.480 0.001 0.000 0.259 100 M C 2.423 178.691 176.300 -0.053 0.000 1.068 100 M CA 1.842 57.109 55.300 -0.055 0.000 1.100 100 M CB -0.770 31.806 32.600 -0.039 0.000 1.351 100 M HN -0.121 nan 8.290 nan 0.000 0.404 101 I N -0.750 119.780 120.570 -0.068 0.000 2.179 101 I HA -0.296 3.875 4.170 0.001 0.000 0.242 101 I C 2.640 178.722 176.117 -0.059 0.000 1.088 101 I CA 1.086 62.351 61.300 -0.058 0.000 1.357 101 I CB -0.478 37.477 38.000 -0.075 0.000 1.051 101 I HN 0.241 nan 8.210 nan 0.000 0.409 102 R N 1.719 122.170 120.500 -0.082 0.000 2.083 102 R HA -0.181 4.160 4.340 0.001 0.000 0.237 102 R C 2.145 178.412 176.300 -0.056 0.000 1.137 102 R CA 1.668 57.722 56.100 -0.076 0.000 0.951 102 R CB -0.583 29.656 30.300 -0.101 0.000 0.851 102 R HN 0.188 nan 8.270 nan 0.000 0.434 103 K N -0.066 120.301 120.400 -0.055 0.000 2.074 103 K HA -0.160 4.161 4.320 0.001 0.000 0.209 103 K C 1.905 178.486 176.600 -0.030 0.000 1.048 103 K CA 1.859 58.121 56.287 -0.042 0.000 0.926 103 K CB -0.161 32.315 32.500 -0.040 0.000 0.713 103 K HN 0.241 nan 8.250 nan 0.000 0.444 104 L N 0.112 121.319 121.223 -0.027 0.000 2.068 104 L HA -0.098 4.242 4.340 0.001 0.000 0.204 104 L C 2.288 179.150 176.870 -0.013 0.000 1.076 104 L CA 0.717 55.546 54.840 -0.018 0.000 0.753 104 L CB -0.421 41.629 42.059 -0.014 0.000 0.910 104 L HN 0.054 nan 8.230 nan 0.000 0.439 105 V N -2.447 117.459 119.914 -0.013 0.000 3.406 105 V HA 0.366 4.487 4.120 0.001 0.000 0.263 105 V C 1.171 177.263 176.094 -0.003 0.000 1.172 105 V CA 0.066 62.365 62.300 -0.003 0.000 1.140 105 V CB -1.457 30.368 31.823 0.003 0.000 0.784 105 V HN 0.484 nan 8.190 nan 0.000 0.467 106 G N 1.025 109.816 108.800 -0.015 0.000 2.953 106 G HA2 -0.163 3.798 3.960 0.001 0.000 0.421 106 G HA3 -0.163 3.798 3.960 0.001 0.000 0.421 106 G C -2.108 172.783 174.900 -0.015 0.000 1.531 106 G CA -0.245 44.844 45.100 -0.017 0.000 0.971 106 G HN 0.523 nan 8.290 nan 0.000 0.558 107 P HA 0.313 nan 4.420 nan 0.000 0.285 107 P C 0.567 177.872 177.300 0.010 0.000 1.282 107 P CA 0.793 63.883 63.100 -0.016 0.000 0.778 107 P CB 0.196 31.883 31.700 -0.022 0.000 1.222 108 D N -4.645 115.769 120.400 0.024 0.000 2.202 108 D HA -0.152 4.489 4.640 0.001 0.000 0.165 108 D C 0.181 176.534 176.300 0.088 0.000 1.170 108 D CA 1.351 55.386 54.000 0.057 0.000 1.110 108 D CB -1.356 39.475 40.800 0.051 0.000 1.160 108 D HN 0.333 nan 8.370 nan 0.000 0.496 109 M N 1.333 120.971 119.600 0.063 0.000 2.336 109 M HA 0.435 4.915 4.480 0.001 0.000 0.342 109 M C -0.585 175.735 176.300 0.033 0.000 1.128 109 M CA -0.773 54.576 55.300 0.082 0.000 1.016 109 M CB 1.897 34.542 32.600 0.076 0.000 1.665 109 M HN -0.204 nan 8.290 nan 0.000 0.445 110 V N 5.905 125.827 119.914 0.013 0.000 2.555 110 V HA 0.218 4.338 4.120 0.001 0.000 0.286 110 V C 0.010 176.111 176.094 0.012 0.000 1.044 110 V CA 0.098 62.354 62.300 -0.072 0.000 1.026 110 V CB 0.900 32.516 31.823 -0.345 0.000 0.981 110 V HN 0.681 nan 8.190 nan 0.000 0.480 111 I N 4.417 124.967 120.570 -0.033 0.000 2.382 111 I HA 0.479 4.650 4.170 0.001 0.000 0.286 111 I C 0.728 176.669 176.117 -0.293 0.000 1.002 111 I CA -0.184 61.055 61.300 -0.101 0.000 1.135 111 I CB 1.578 39.499 38.000 -0.132 0.000 1.288 111 I HN 0.704 nan 8.210 nan 0.000 0.448 112 G N 5.273 113.800 108.800 -0.455 0.000 2.348 112 G HA2 0.415 4.375 3.960 0.001 0.000 0.312 112 G HA3 0.415 4.375 3.960 0.001 0.000 0.312 112 G C -1.958 172.455 174.900 -0.812 0.000 1.126 112 G CA -0.199 44.193 45.100 -1.181 0.000 0.865 112 G HN 0.514 nan 8.290 nan 0.000 0.474 113 W N 1.352 122.130 121.300 -0.870 0.000 2.819 113 W HA 0.597 5.258 4.660 0.002 0.000 0.337 113 W C -0.345 175.963 176.519 -0.352 0.000 1.077 113 W CA -1.286 55.740 57.345 -0.532 0.000 1.226 113 W CB 2.215 31.500 29.460 -0.291 0.000 1.419 113 W HN 0.377 nan 8.180 nan 0.000 0.502 114 S N 3.281 118.773 115.700 -0.346 0.000 2.473 114 S HA 0.427 4.897 4.470 0.001 0.000 0.312 114 S C -0.472 173.864 174.600 -0.441 0.000 1.087 114 S CA -0.470 57.607 58.200 -0.205 0.000 1.077 114 S CB 0.121 63.306 63.200 -0.026 0.000 1.065 114 S HN 0.207 nan 8.310 nan 0.000 0.510 115 V N 2.686 122.400 119.914 -0.332 0.000 2.532 115 V HA 0.673 4.794 4.120 0.001 0.000 0.295 115 V C 1.108 177.050 176.094 -0.253 0.000 1.041 115 V CA -0.292 61.802 62.300 -0.343 0.000 0.926 115 V CB 1.778 33.456 31.823 -0.242 0.000 0.992 115 V HN 0.906 nan 8.190 nan 0.000 0.457 116 G N 2.728 111.371 108.800 -0.262 0.000 2.797 116 G HA2 0.308 4.268 3.960 0.001 0.000 0.209 116 G HA3 0.308 4.268 3.960 0.001 0.000 0.209 116 G C -0.225 174.208 174.900 -0.778 0.000 1.080 116 G CA 0.129 44.927 45.100 -0.503 0.000 0.897 116 G HN 0.445 nan 8.290 nan 0.000 0.641 117 F N -0.717 119.152 119.950 -0.135 0.000 2.588 117 F HA 0.464 4.992 4.527 0.001 0.000 0.314 117 F C -1.870 173.878 175.800 -0.087 0.000 1.069 117 F CA -2.293 55.648 58.000 -0.099 0.000 0.931 117 F CB 2.132 41.080 39.000 -0.087 0.000 1.260 117 F HN -0.243 nan 8.300 nan 0.000 0.465 118 P HA -0.154 nan 4.420 nan 0.000 0.215 118 P C 1.000 178.338 177.300 0.064 0.000 1.153 118 P CA 1.614 64.746 63.100 0.054 0.000 0.853 118 P CB 0.256 31.982 31.700 0.044 0.000 0.788 119 E N 0.044 120.290 120.200 0.077 0.000 2.147 119 E HA -0.226 4.125 4.350 0.001 0.000 0.199 119 E C 1.794 178.435 176.600 0.070 0.000 1.005 119 E CA 1.431 57.861 56.400 0.050 0.000 0.810 119 E CB -0.876 28.828 29.700 0.007 0.000 0.736 119 E HN 0.490 nan 8.360 nan 0.000 0.460 120 E N -0.332 119.910 120.200 0.070 0.000 2.285 120 E HA -0.062 4.289 4.350 0.001 0.000 0.194 120 E C 1.786 178.485 176.600 0.164 0.000 0.997 120 E CA 0.669 57.112 56.400 0.071 0.000 0.845 120 E CB 0.213 29.834 29.700 -0.132 0.000 0.782 120 E HN 0.099 nan 8.360 nan 0.000 0.491 121 V N 1.656 121.627 119.914 0.096 0.000 2.591 121 V HA -0.175 3.946 4.120 0.001 0.000 0.249 121 V C 1.547 177.699 176.094 0.097 0.000 1.053 121 V CA 1.442 63.795 62.300 0.089 0.000 1.068 121 V CB -0.311 31.521 31.823 0.014 0.000 0.689 121 V HN 0.175 nan 8.190 nan 0.000 0.462 122 D N 0.522 120.973 120.400 0.085 0.000 2.104 122 D HA -0.179 4.461 4.640 0.001 0.000 0.194 122 D C 2.166 178.529 176.300 0.106 0.000 0.994 122 D CA 1.472 55.519 54.000 0.078 0.000 0.830 122 D CB -0.105 40.730 40.800 0.060 0.000 0.959 122 D HN 0.554 nan 8.370 nan 0.000 0.452 123 E N 0.621 120.906 120.200 0.142 0.000 2.051 123 E HA -0.122 4.228 4.350 0.001 0.000 0.192 123 E C 2.333 179.016 176.600 0.138 0.000 0.991 123 E CA 0.256 56.746 56.400 0.150 0.000 0.799 123 E CB -0.249 29.587 29.700 0.227 0.000 0.748 123 E HN 0.210 nan 8.360 nan 0.000 0.449 124 L N 0.797 122.156 121.223 0.227 0.000 2.189 124 L HA -0.232 4.109 4.340 0.001 0.000 0.214 124 L C 1.966 178.971 176.870 0.225 0.000 1.097 124 L CA 1.341 56.288 54.840 0.178 0.000 0.764 124 L CB -0.032 42.208 42.059 0.301 0.000 0.900 124 L HN 0.031 nan 8.230 nan 0.000 0.436 125 S N -0.354 115.474 115.700 0.213 0.000 2.421 125 S HA -0.036 4.435 4.470 0.001 0.000 0.224 125 S C 1.660 176.395 174.600 0.225 0.000 1.035 125 S CA 0.641 59.023 58.200 0.303 0.000 0.953 125 S CB 0.048 63.350 63.200 0.170 0.000 0.810 125 S HN 0.416 nan 8.310 nan 0.000 0.497 126 K N 1.211 121.684 120.400 0.121 0.000 2.442 126 K HA 0.066 4.387 4.320 0.001 0.000 0.199 126 K C 1.409 178.020 176.600 0.019 0.000 1.044 126 K CA 0.876 57.201 56.287 0.063 0.000 0.941 126 K CB -0.217 32.309 32.500 0.043 0.000 0.759 126 K HN 0.417 nan 8.250 nan 0.000 0.472 127 M N -0.160 119.449 119.600 0.015 0.000 2.441 127 M HA 0.126 4.607 4.480 0.001 0.000 0.244 127 M C 0.867 177.075 176.300 -0.153 0.000 1.122 127 M CA 0.150 55.409 55.300 -0.069 0.000 1.041 127 M CB 0.294 32.832 32.600 -0.104 0.000 1.438 127 M HN 0.227 nan 8.290 nan 0.000 0.484 128 G N 1.767 110.469 108.800 -0.164 0.000 2.806 128 G HA2 -0.201 3.759 3.960 0.001 0.000 0.236 128 G HA3 -0.201 3.759 3.960 0.001 0.000 0.236 128 G C -2.997 171.244 174.900 -1.099 0.000 1.387 128 G CA -1.129 43.634 45.100 -0.561 0.000 0.884 128 G HN 0.146 nan 8.290 nan 0.000 0.560 129 P HA 0.403 nan 4.420 nan 0.000 0.277 129 P C 0.396 177.294 177.300 -0.670 0.000 1.276 129 P CA 0.541 62.727 63.100 -1.522 0.000 0.788 129 P CB 0.384 31.462 31.700 -1.037 0.000 1.114 130 D N -3.711 116.432 120.400 -0.427 0.000 2.328 130 D HA -0.158 4.483 4.640 0.001 0.000 0.167 130 D C 1.047 177.231 176.300 -0.194 0.000 1.205 130 D CA 1.531 55.393 54.000 -0.230 0.000 1.128 130 D CB -1.080 39.601 40.800 -0.198 0.000 1.157 130 D HN 0.170 nan 8.370 nan 0.000 0.468 131 M N 0.160 119.614 119.600 -0.243 0.000 1.925 131 M HA 0.175 4.656 4.480 0.001 0.000 0.193 131 M C 1.065 177.290 176.300 -0.124 0.000 1.361 131 M CA 0.585 55.775 55.300 -0.183 0.000 1.092 131 M CB -0.741 31.741 32.600 -0.197 0.000 0.920 131 M HN -0.148 nan 8.290 nan 0.000 0.430 132 V N 2.406 122.289 119.914 -0.052 0.000 2.555 132 V HA 0.029 4.150 4.120 0.001 0.000 0.286 132 V C 0.417 176.592 176.094 0.136 0.000 1.044 132 V CA 0.068 62.357 62.300 -0.018 0.000 1.026 132 V CB 0.467 32.293 31.823 0.005 0.000 0.981 132 V HN 0.450 nan 8.190 nan 0.000 0.480 133 D N 2.541 122.967 120.400 0.045 0.000 2.417 133 D HA 0.172 4.813 4.640 0.001 0.000 0.207 133 D C -0.257 176.140 176.300 0.161 0.000 1.075 133 D CA 0.733 54.813 54.000 0.133 0.000 0.851 133 D CB 0.708 41.553 40.800 0.075 0.000 0.976 133 D HN 0.703 nan 8.370 nan 0.000 0.505 134 Y N -0.242 120.041 120.300 -0.028 0.000 2.583 134 Y HA 0.376 4.926 4.550 0.001 0.000 0.330 134 Y C -1.999 173.883 175.900 -0.031 0.000 1.185 134 Y CA -1.791 56.231 58.100 -0.129 0.000 1.107 134 Y CB 0.151 38.415 38.460 -0.327 0.000 1.344 134 Y HN -0.169 nan 8.280 nan 0.000 0.463 135 I N 0.881 121.470 120.570 0.033 0.000 2.740 135 I HA 1.012 5.182 4.170 0.001 0.000 0.303 135 I C -0.050 176.188 176.117 0.202 0.000 1.044 135 I CA -1.281 60.022 61.300 0.006 0.000 1.064 135 I CB 2.527 40.527 38.000 0.000 0.000 1.249 135 I HN 1.061 nan 8.210 nan 0.000 0.433 136 G N 4.191 113.128 108.800 0.229 0.000 2.319 136 G HA2 0.508 4.468 3.960 0.001 0.000 0.308 136 G HA3 0.508 4.468 3.960 0.001 0.000 0.308 136 G C -0.195 174.720 174.900 0.025 0.000 1.117 136 G CA -0.590 44.633 45.100 0.206 0.000 0.903 136 G HN 0.753 nan 8.290 nan 0.000 0.436 137 V N 2.643 122.536 119.914 -0.034 0.000 2.405 137 V HA 0.678 4.799 4.120 0.001 0.000 0.264 137 V C 1.209 177.205 176.094 -0.163 0.000 1.048 137 V CA -0.128 62.104 62.300 -0.113 0.000 0.966 137 V CB -0.224 31.525 31.823 -0.124 0.000 1.015 137 V HN 1.611 nan 8.190 nan 0.000 0.477 138 G N 5.237 113.915 108.800 -0.203 0.000 2.561 138 G HA2 -0.223 3.738 3.960 0.001 0.000 0.360 138 G HA3 -0.223 3.738 3.960 0.001 0.000 0.360 138 G C 0.104 174.887 174.900 -0.195 0.000 1.328 138 G CA 0.246 45.197 45.100 -0.248 0.000 0.918 138 G HN 1.386 nan 8.290 nan 0.000 0.542 139 T N 1.383 115.818 114.554 -0.198 0.000 2.801 139 T HA 0.511 4.861 4.350 0.001 0.000 0.306 139 T C 1.820 176.380 174.700 -0.232 0.000 1.020 139 T CA -0.303 61.701 62.100 -0.160 0.000 0.948 139 T CB 1.219 70.031 68.868 -0.093 0.000 0.962 139 T HN 0.516 nan 8.240 nan 0.000 0.465 140 L N 1.761 122.794 121.223 -0.315 0.000 2.012 140 L HA 0.031 4.372 4.340 0.001 0.000 0.210 140 L C 0.088 176.475 176.870 -0.805 0.000 1.073 140 L CA 1.633 56.088 54.840 -0.642 0.000 0.748 140 L CB -0.173 41.414 42.059 -0.785 0.000 0.891 140 L HN 0.481 nan 8.230 nan 0.000 0.431 141 F N -1.941 117.986 119.950 -0.038 0.000 2.577 141 F HA 0.470 4.998 4.527 0.001 0.000 0.318 141 F C -2.179 173.625 175.800 0.006 0.000 1.065 141 F CA -3.061 54.938 58.000 -0.000 0.000 0.929 141 F CB 0.180 39.193 39.000 0.021 0.000 1.237 141 F HN -0.353 nan 8.300 nan 0.000 0.468 142 P HA 0.199 nan 4.420 nan 0.000 0.269 142 P C -0.367 177.006 177.300 0.122 0.000 1.209 142 P CA 0.062 63.240 63.100 0.129 0.000 0.776 142 P CB 0.882 32.654 31.700 0.121 0.000 0.876 155 G N 1.643 110.240 108.800 -0.339 0.000 2.740 155 G HA2 -0.328 3.632 3.960 0.001 0.000 0.250 155 G HA3 -0.328 3.632 3.960 0.001 0.000 0.250 155 G C 0.503 175.191 174.900 -0.352 0.000 1.358 155 G CA 1.419 46.254 45.100 -0.442 0.000 0.897 155 G HN 1.105 nan 8.290 nan 0.000 0.567 156 T N -1.656 112.743 114.554 -0.258 0.000 2.759 156 T HA 0.106 4.456 4.350 0.001 0.000 0.269 156 T C 2.729 177.327 174.700 -0.169 0.000 1.042 156 T CA 2.867 64.853 62.100 -0.191 0.000 1.140 156 T CB -0.646 68.155 68.868 -0.113 0.000 0.864 156 T HN 2.014 nan 8.240 nan 0.000 0.455 157 A N 2.111 124.864 122.820 -0.112 0.000 1.892 157 A HA 0.122 4.443 4.320 0.001 0.000 0.218 157 A C 2.758 180.266 177.584 -0.126 0.000 1.188 157 A CA 1.915 53.890 52.037 -0.102 0.000 0.631 157 A CB -1.642 17.380 19.000 0.037 0.000 0.822 157 A HN 0.624 nan 8.150 nan 0.000 0.447 158 G N -1.137 107.576 108.800 -0.145 0.000 2.448 158 G HA2 0.112 4.072 3.960 0.001 0.000 0.218 158 G HA3 0.112 4.072 3.960 0.001 0.000 0.218 158 G C 1.636 176.417 174.900 -0.199 0.000 1.135 158 G CA 1.264 46.259 45.100 -0.175 0.000 0.784 158 G HN 0.796 nan 8.290 nan 0.000 0.543 159 A N 0.830 123.525 122.820 -0.208 0.000 1.898 159 A HA 0.110 4.430 4.320 0.001 0.000 0.216 159 A C 2.340 179.835 177.584 -0.149 0.000 1.181 159 A CA 1.024 52.947 52.037 -0.190 0.000 0.620 159 A CB -0.328 18.554 19.000 -0.197 0.000 0.819 159 A HN 0.337 nan 8.150 nan 0.000 0.442 160 I N -0.681 119.801 120.570 -0.148 0.000 2.163 160 I HA -0.313 3.857 4.170 0.001 0.000 0.243 160 I C 2.733 178.792 176.117 -0.098 0.000 1.085 160 I CA 1.521 62.747 61.300 -0.124 0.000 1.347 160 I CB -0.300 37.609 38.000 -0.153 0.000 1.044 160 I HN 0.285 nan 8.210 nan 0.000 0.408 161 R N -0.087 120.354 120.500 -0.098 0.000 2.139 161 R HA -0.163 4.178 4.340 0.001 0.000 0.243 161 R C 2.228 178.490 176.300 -0.064 0.000 1.145 161 R CA 1.330 57.389 56.100 -0.069 0.000 0.976 161 R CB -0.355 29.912 30.300 -0.056 0.000 0.866 161 R HN 0.270 nan 8.270 nan 0.000 0.449 162 V N 1.116 120.977 119.914 -0.088 0.000 2.255 162 V HA -0.194 3.926 4.120 0.001 0.000 0.243 162 V C 2.252 178.300 176.094 -0.077 0.000 1.038 162 V CA 1.498 63.748 62.300 -0.083 0.000 1.008 162 V CB -0.341 31.414 31.823 -0.114 0.000 0.645 162 V HN 0.277 nan 8.190 nan 0.000 0.449 163 L N -0.012 121.162 121.223 -0.082 0.000 2.129 163 L HA -0.254 4.086 4.340 0.001 0.000 0.212 163 L C 2.255 179.090 176.870 -0.060 0.000 1.087 163 L CA 1.610 56.407 54.840 -0.072 0.000 0.757 163 L CB -0.762 41.259 42.059 -0.063 0.000 0.896 163 L HN 0.369 nan 8.230 nan 0.000 0.434 164 D N -0.050 120.318 120.400 -0.053 0.000 2.149 164 D HA -0.092 4.549 4.640 0.001 0.000 0.201 164 D C 2.231 178.507 176.300 -0.041 0.000 0.972 164 D CA 1.379 55.354 54.000 -0.042 0.000 0.835 164 D CB 0.073 40.851 40.800 -0.037 0.000 0.966 164 D HN 0.295 nan 8.370 nan 0.000 0.476 165 A N 0.299 123.094 122.820 -0.042 0.000 1.968 165 A HA -0.029 4.292 4.320 0.001 0.000 0.217 165 A C 2.203 179.754 177.584 -0.056 0.000 1.169 165 A CA 0.482 52.498 52.037 -0.035 0.000 0.638 165 A CB -0.590 18.398 19.000 -0.021 0.000 0.812 165 A HN 0.224 nan 8.150 nan 0.000 0.446 166 L N -1.094 120.081 121.223 -0.081 0.000 2.456 166 L HA -0.119 4.221 4.340 0.001 0.000 0.224 166 L C 2.313 179.109 176.870 -0.123 0.000 1.148 166 L CA 1.238 55.999 54.840 -0.132 0.000 0.825 166 L CB -0.093 41.879 42.059 -0.145 0.000 0.937 166 L HN 0.445 nan 8.230 nan 0.000 0.450 167 E N -0.255 119.899 120.200 -0.075 0.000 2.228 167 E HA -0.071 4.279 4.350 0.001 0.000 0.197 167 E C 2.112 178.691 176.600 -0.035 0.000 0.909 167 E CA 0.158 56.526 56.400 -0.053 0.000 0.911 167 E CB 0.124 29.799 29.700 -0.041 0.000 0.887 167 E HN 0.118 nan 8.360 nan 0.000 0.481 168 R N 0.363 120.845 120.500 -0.031 0.000 2.159 168 R HA -0.068 4.273 4.340 0.001 0.000 0.237 168 R C 0.751 177.046 176.300 -0.008 0.000 1.131 168 R CA 1.807 57.897 56.100 -0.017 0.000 0.982 168 R CB -0.199 30.092 30.300 -0.014 0.000 0.868 168 R HN 0.064 nan 8.270 nan 0.000 0.453 169 N N 0.416 119.104 118.700 -0.020 0.000 2.280 169 N HA -0.031 4.709 4.740 0.001 0.000 0.192 169 N C -0.656 174.852 175.510 -0.004 0.000 1.109 169 N CA 0.028 53.075 53.050 -0.006 0.000 0.855 169 N CB 0.308 38.782 38.487 -0.022 0.000 0.974 169 N HN 0.196 nan 8.380 nan 0.000 0.482 170 N N 1.018 119.708 118.700 -0.018 0.000 2.666 170 N HA -0.250 4.491 4.740 0.001 0.000 0.274 170 N C -0.784 174.688 175.510 -0.064 0.000 1.043 170 N CA 0.560 53.616 53.050 0.010 0.000 0.782 170 N CB -0.854 37.689 38.487 0.094 0.000 0.912 170 N HN 0.287 nan 8.380 nan 0.000 0.556 171 A N 3.179 125.789 122.820 -0.350 0.000 3.260 171 A HA 0.133 4.454 4.320 0.001 0.000 0.268 171 A C 1.558 178.616 177.584 -0.878 0.000 1.491 171 A CA 0.079 51.477 52.037 -1.064 0.000 1.181 171 A CB -0.550 17.768 19.000 -1.136 0.000 1.137 171 A HN 0.726 nan 8.150 nan 0.000 0.642 172 H N -1.093 117.813 119.070 -0.274 0.000 2.472 172 H HA -0.265 4.291 4.556 0.001 0.000 0.296 172 H C 1.417 176.730 175.328 -0.025 0.000 1.120 172 H CA 1.982 57.985 56.048 -0.074 0.000 1.250 172 H CB -0.495 29.312 29.762 0.075 0.000 1.366 172 H HN 0.918 nan 8.280 nan 0.000 0.524 173 W N 1.105 122.101 121.300 -0.506 0.000 3.003 173 W HA 0.288 4.948 4.660 0.001 0.000 0.257 173 W C 0.320 176.769 176.519 -0.117 0.000 1.308 173 W CA -0.667 56.501 57.345 -0.296 0.000 1.529 173 W CB -0.591 28.619 29.460 -0.418 0.000 1.115 173 W HN 0.172 nan 8.180 nan 0.000 0.659 174 C N 5.373 124.325 119.300 -0.580 0.000 2.255 174 C HA 0.519 4.980 4.460 0.001 0.000 0.326 174 C C 0.770 175.642 174.990 -0.196 0.000 1.258 174 C CA -1.227 57.578 59.018 -0.354 0.000 1.676 174 C CB -0.429 26.963 27.740 -0.580 0.000 2.314 174 C HN 0.185 nan 8.230 nan 0.000 0.509 175 R N 3.270 123.708 120.500 -0.103 0.000 2.580 175 R HA 0.611 4.952 4.340 0.001 0.000 0.267 175 R C 0.212 176.410 176.300 -0.170 0.000 1.125 175 R CA -0.077 55.923 56.100 -0.167 0.000 1.188 175 R CB 0.443 30.557 30.300 -0.310 0.000 1.155 175 R HN 0.855 nan 8.270 nan 0.000 0.586 176 T N -2.561 111.880 114.554 -0.187 0.000 2.916 176 T HA 0.550 4.900 4.350 0.001 0.000 0.298 176 T C -0.235 174.412 174.700 -0.088 0.000 1.031 176 T CA -0.948 61.095 62.100 -0.095 0.000 0.993 176 T CB 1.514 70.341 68.868 -0.069 0.000 1.045 176 T HN 0.397 nan 8.240 nan 0.000 0.454 177 V N -0.447 119.475 119.914 0.013 0.000 2.735 177 V HA 0.986 5.107 4.120 0.001 0.000 0.310 177 V C 0.477 176.587 176.094 0.025 0.000 1.061 177 V CA -0.884 61.447 62.300 0.052 0.000 0.913 177 V CB 1.391 33.318 31.823 0.173 0.000 1.005 177 V HN 1.280 nan 8.190 nan 0.000 0.428 178 G N 2.647 111.440 108.800 -0.011 0.000 2.444 178 G HA2 0.641 4.601 3.960 0.001 0.000 0.268 178 G HA3 0.641 4.601 3.960 0.001 0.000 0.268 178 G C -0.900 173.962 174.900 -0.064 0.000 1.203 178 G CA -0.448 44.619 45.100 -0.055 0.000 0.835 178 G HN 1.095 nan 8.290 nan 0.000 0.543 179 I N 0.142 120.656 120.570 -0.094 0.000 2.827 179 I HA 0.641 4.812 4.170 0.001 0.000 0.298 179 I C -0.162 175.893 176.117 -0.104 0.000 1.235 179 I CA -0.260 60.975 61.300 -0.108 0.000 1.021 179 I CB 2.178 40.102 38.000 -0.128 0.000 1.259 179 I HN 1.190 nan 8.210 nan 0.000 0.427 180 G N 4.329 113.080 108.800 -0.083 0.000 2.768 180 G HA2 0.392 4.353 3.960 0.001 0.000 0.666 180 G HA3 0.392 4.353 3.960 0.001 0.000 0.666 180 G C 0.349 175.283 174.900 0.057 0.000 1.162 180 G CA -0.360 44.715 45.100 -0.041 0.000 1.226 180 G HN 1.829 nan 8.290 nan 0.000 0.535 181 G N -0.666 108.148 108.800 0.023 0.000 2.160 181 G HA2 0.010 3.971 3.960 0.001 0.000 0.244 181 G HA3 0.010 3.971 3.960 0.001 0.000 0.244 181 G C 0.311 175.238 174.900 0.046 0.000 1.022 181 G CA 0.422 45.586 45.100 0.107 0.000 0.741 181 G HN 1.565 nan 8.290 nan 0.000 0.508 182 L N 1.870 122.991 121.223 -0.169 0.000 2.281 182 L HA 0.601 4.942 4.340 0.001 0.000 0.285 182 L C 0.634 177.214 176.870 -0.484 0.000 1.074 182 L CA -0.405 54.331 54.840 -0.173 0.000 0.817 182 L CB 0.507 42.504 42.059 -0.104 0.000 1.168 182 L HN 0.338 nan 8.230 nan 0.000 0.434 183 H N 3.673 122.709 119.070 -0.057 0.000 2.960 183 H HA 0.340 4.897 4.556 0.001 0.000 0.338 183 H C -1.921 173.358 175.328 -0.081 0.000 1.261 183 H CA -1.559 54.448 56.048 -0.068 0.000 1.136 183 H CB 1.254 30.966 29.762 -0.082 0.000 1.875 183 H HN 0.184 nan 8.280 nan 0.000 0.550 184 P HA -0.119 nan 4.420 nan 0.000 0.220 184 P C 0.548 177.830 177.300 -0.030 0.000 1.148 184 P CA 1.528 64.628 63.100 -0.000 0.000 0.803 184 P CB -0.038 31.666 31.700 0.007 0.000 0.782 185 D N -1.350 119.035 120.400 -0.025 0.000 2.371 185 D HA -0.085 4.556 4.640 0.001 0.000 0.234 185 D C 0.826 177.064 176.300 -0.104 0.000 1.049 185 D CA 0.348 54.312 54.000 -0.062 0.000 0.907 185 D CB -0.875 39.875 40.800 -0.083 0.000 0.891 185 D HN 0.203 nan 8.370 nan 0.000 0.531 186 N N -0.826 117.800 118.700 -0.122 0.000 1.856 186 N HA -0.039 4.702 4.740 0.001 0.000 0.223 186 N C 0.549 175.970 175.510 -0.149 0.000 1.438 186 N CA -0.294 52.654 53.050 -0.170 0.000 0.693 186 N CB -1.100 37.200 38.487 -0.312 0.000 1.051 186 N HN 0.256 nan 8.380 nan 0.000 0.563 187 I N 1.743 122.222 120.570 -0.152 0.000 2.286 187 I HA -0.161 4.010 4.170 0.001 0.000 0.245 187 I C 2.115 178.047 176.117 -0.309 0.000 1.104 187 I CA 1.463 62.666 61.300 -0.161 0.000 1.397 187 I CB 0.081 38.011 38.000 -0.118 0.000 1.072 187 I HN 0.251 nan 8.210 nan 0.000 0.417 188 E N 0.868 120.798 120.200 -0.451 0.000 2.106 188 E HA -0.296 4.055 4.350 0.001 0.000 0.192 188 E C 2.173 178.242 176.600 -0.886 0.000 0.984 188 E CA 0.976 56.889 56.400 -0.812 0.000 0.806 188 E CB -0.489 28.692 29.700 -0.865 0.000 0.750 188 E HN 0.457 nan 8.360 nan 0.000 0.458 189 R N 1.500 121.593 120.500 -0.678 0.000 2.096 189 R HA -0.112 4.228 4.340 0.001 0.000 0.235 189 R C 2.227 178.462 176.300 -0.108 0.000 1.127 189 R CA 1.154 57.116 56.100 -0.231 0.000 0.968 189 R CB -0.169 30.107 30.300 -0.040 0.000 0.861 189 R HN 0.072 nan 8.270 nan 0.000 0.440 190 V N 0.998 120.837 119.914 -0.126 0.000 2.307 190 V HA -0.211 3.910 4.120 0.001 0.000 0.245 190 V C 2.241 178.254 176.094 -0.136 0.000 1.045 190 V CA 1.255 63.514 62.300 -0.069 0.000 1.024 190 V CB -0.409 31.414 31.823 0.000 0.000 0.651 190 V HN 0.283 nan 8.190 nan 0.000 0.449 191 L N -0.796 120.285 121.223 -0.237 0.000 2.079 191 L HA -0.220 4.120 4.340 0.001 0.000 0.210 191 L C 2.212 179.003 176.870 -0.133 0.000 1.081 191 L CA 2.092 56.787 54.840 -0.241 0.000 0.752 191 L CB -1.194 40.571 42.059 -0.490 0.000 0.896 191 L HN 0.524 nan 8.230 nan 0.000 0.433 192 Y N 0.417 120.514 120.300 -0.338 0.000 2.184 192 Y HA -0.255 4.296 4.550 0.001 0.000 0.290 192 Y C 2.412 178.267 175.900 -0.074 0.000 1.129 192 Y CA 1.505 59.548 58.100 -0.095 0.000 1.144 192 Y CB 0.238 38.704 38.460 0.009 0.000 0.995 192 Y HN 0.444 nan 8.280 nan 0.000 0.513 193 Q N -1.574 118.064 119.800 -0.271 0.000 2.319 193 Q HA 0.149 4.490 4.340 0.001 0.000 0.209 193 Q C 0.358 176.191 176.000 -0.279 0.000 0.884 193 Q CA 0.060 55.610 55.803 -0.422 0.000 0.938 193 Q CB -0.090 28.394 28.738 -0.424 0.000 1.098 193 Q HN 0.260 nan 8.270 nan 0.000 0.517 194 C N 3.321 122.515 119.300 -0.178 0.000 2.518 194 C HA 0.418 4.879 4.460 0.001 0.000 0.456 194 C C 0.342 175.274 174.990 -0.097 0.000 1.016 194 C CA -0.872 58.064 59.018 -0.138 0.000 1.210 194 C CB -1.703 25.969 27.740 -0.114 0.000 1.542 194 C HN 0.379 nan 8.230 nan 0.000 0.545 195 V N 0.648 120.499 119.914 -0.105 0.000 2.962 195 V HA 0.722 4.842 4.120 0.001 0.000 0.313 195 V C 0.100 176.208 176.094 0.023 0.000 1.099 195 V CA -0.549 61.737 62.300 -0.023 0.000 0.971 195 V CB 1.585 33.410 31.823 0.003 0.000 1.028 195 V HN 0.387 nan 8.190 nan 0.000 0.430 196 S N 1.919 117.649 115.700 0.051 0.000 2.576 196 S HA 0.132 4.603 4.470 0.001 0.000 0.272 196 S C 1.343 176.016 174.600 0.123 0.000 1.352 196 S CA 0.529 58.755 58.200 0.044 0.000 1.021 196 S CB 1.001 64.211 63.200 0.017 0.000 0.887 196 S HN 1.004 nan 8.310 nan 0.000 0.542 197 S N 1.751 117.486 115.700 0.058 0.000 2.481 197 S HA -0.055 4.416 4.470 0.001 0.000 0.231 197 S C 1.250 175.777 174.600 -0.121 0.000 0.996 197 S CA 0.976 59.199 58.200 0.039 0.000 0.942 197 S CB -0.514 62.679 63.200 -0.011 0.000 0.768 197 S HN 0.870 nan 8.310 nan 0.000 0.520 198 N N 0.308 118.960 118.700 -0.079 0.000 2.276 198 N HA 0.234 4.975 4.740 0.001 0.000 0.212 198 N C 0.989 176.447 175.510 -0.087 0.000 1.127 198 N CA 0.641 53.618 53.050 -0.121 0.000 0.834 198 N CB -0.304 38.137 38.487 -0.076 0.000 1.014 198 N HN 0.199 nan 8.380 nan 0.000 0.491 199 G N 0.619 109.415 108.800 -0.007 0.000 2.228 199 G HA2 -0.430 3.530 3.960 0.001 0.000 0.270 199 G HA3 -0.430 3.530 3.960 0.001 0.000 0.270 199 G C 1.023 175.969 174.900 0.076 0.000 0.976 199 G CA 0.808 45.974 45.100 0.110 0.000 0.636 199 G HN 0.485 nan 8.290 nan 0.000 0.542 200 K N -0.248 120.171 120.400 0.031 0.000 2.432 200 K HA 0.067 4.388 4.320 0.001 0.000 0.196 200 K C 1.243 177.860 176.600 0.029 0.000 1.038 200 K CA 0.583 56.884 56.287 0.024 0.000 0.986 200 K CB 0.173 32.676 32.500 0.005 0.000 0.782 200 K HN 0.434 nan 8.250 nan 0.000 0.485 201 R N 0.635 121.153 120.500 0.031 0.000 2.564 201 R HA 0.134 4.474 4.340 0.001 0.000 0.284 201 R C -1.071 175.242 176.300 0.022 0.000 1.031 201 R CA -0.237 55.874 56.100 0.018 0.000 0.904 201 R CB 1.680 31.974 30.300 -0.009 0.000 1.199 201 R HN 0.021 nan 8.270 nan 0.000 0.443 202 S N 3.924 119.639 115.700 0.025 0.000 2.837 202 S HA 0.542 5.013 4.470 0.001 0.000 0.314 202 S C -0.137 174.465 174.600 0.003 0.000 1.098 202 S CA -0.951 57.260 58.200 0.018 0.000 0.903 202 S CB 0.770 64.000 63.200 0.049 0.000 1.310 202 S HN 0.469 nan 8.310 nan 0.000 0.581 203 L N 1.745 122.968 121.223 0.001 0.000 2.410 203 L HA 0.252 4.592 4.340 0.001 0.000 0.273 203 L C 0.724 177.606 176.870 0.020 0.000 1.152 203 L CA -0.215 54.621 54.840 -0.007 0.000 0.855 203 L CB 0.294 42.342 42.059 -0.018 0.000 1.129 203 L HN 0.751 nan 8.230 nan 0.000 0.463 204 D N 2.288 122.692 120.400 0.007 0.000 2.317 204 D HA 0.080 4.721 4.640 0.001 0.000 0.211 204 D C 0.744 177.103 176.300 0.097 0.000 0.966 204 D CA 0.573 54.601 54.000 0.046 0.000 0.876 204 D CB 0.856 41.661 40.800 0.008 0.000 0.927 204 D HN 0.760 nan 8.370 nan 0.000 0.519 205 G N -0.002 108.845 108.800 0.078 0.000 2.488 205 G HA2 0.487 4.448 3.960 0.001 0.000 0.301 205 G HA3 0.487 4.448 3.960 0.001 0.000 0.301 205 G C -1.812 173.135 174.900 0.077 0.000 1.339 205 G CA -0.726 44.438 45.100 0.107 0.000 0.803 205 G HN 0.004 nan 8.290 nan 0.000 0.482 206 I N -0.128 120.489 120.570 0.079 0.000 2.498 206 I HA 0.359 4.529 4.170 0.001 0.000 0.290 206 I C -0.544 175.593 176.117 0.033 0.000 1.032 206 I CA -0.634 60.684 61.300 0.030 0.000 1.073 206 I CB 2.195 40.194 38.000 -0.002 0.000 1.251 206 I HN 0.434 nan 8.210 nan 0.000 0.426 207 C N 6.857 126.135 119.300 -0.037 0.000 2.246 207 C HA 0.444 4.905 4.460 0.001 0.000 0.329 207 C C 0.378 175.285 174.990 -0.139 0.000 1.221 207 C CA -0.693 58.247 59.018 -0.130 0.000 1.697 207 C CB -0.022 27.564 27.740 -0.257 0.000 2.312 207 C HN 0.473 nan 8.230 nan 0.000 0.509 208 V N 4.109 123.952 119.914 -0.118 0.000 2.612 208 V HA 0.830 4.950 4.120 0.001 0.000 0.301 208 V C -0.073 175.943 176.094 -0.130 0.000 1.046 208 V CA -0.186 62.032 62.300 -0.138 0.000 0.946 208 V CB 1.375 33.136 31.823 -0.104 0.000 1.003 208 V HN 0.607 nan 8.190 nan 0.000 0.459 209 V N 2.346 122.180 119.914 -0.133 0.000 4.213 209 V HA 0.075 4.196 4.120 0.001 0.000 0.179 209 V C 2.234 178.298 176.094 -0.050 0.000 1.148 209 V CA 1.074 63.319 62.300 -0.093 0.000 1.346 209 V CB 0.003 31.769 31.823 -0.094 0.000 1.703 209 V HN 0.967 nan 8.190 nan 0.000 0.525 210 S N 0.157 115.843 115.700 -0.023 0.000 2.547 210 S HA -0.178 4.293 4.470 0.001 0.000 0.235 210 S C 1.196 175.838 174.600 0.070 0.000 0.980 210 S CA 1.775 59.999 58.200 0.041 0.000 0.941 210 S CB -0.399 62.863 63.200 0.103 0.000 0.763 210 S HN 0.640 nan 8.310 nan 0.000 0.532 211 D N 0.643 121.063 120.400 0.034 0.000 2.327 211 D HA 0.268 4.908 4.640 0.001 0.000 0.205 211 D C 1.511 177.826 176.300 0.024 0.000 0.989 211 D CA 0.535 54.575 54.000 0.067 0.000 0.873 211 D CB 0.094 40.920 40.800 0.043 0.000 0.955 211 D HN 0.459 nan 8.370 nan 0.000 0.515 212 I N -0.375 120.193 120.570 -0.002 0.000 3.194 212 I HA -0.039 4.132 4.170 0.001 0.000 0.271 212 I C 1.597 177.710 176.117 -0.007 0.000 1.150 212 I CA -0.088 61.207 61.300 -0.008 0.000 1.440 212 I CB 0.287 38.275 38.000 -0.021 0.000 1.276 212 I HN -0.050 nan 8.210 nan 0.000 0.457 213 I N 1.904 122.468 120.570 -0.010 0.000 2.127 213 I HA -0.248 3.923 4.170 0.001 0.000 0.241 213 I C 2.557 178.675 176.117 0.002 0.000 1.075 213 I CA 1.901 63.197 61.300 -0.007 0.000 1.334 213 I CB -1.339 36.654 38.000 -0.011 0.000 1.040 213 I HN 0.153 nan 8.210 nan 0.000 0.405 214 A N -0.191 122.635 122.820 0.008 0.000 2.238 214 A HA 0.038 4.359 4.320 0.001 0.000 0.208 214 A C 1.365 178.955 177.584 0.010 0.000 1.177 214 A CA 0.158 52.202 52.037 0.011 0.000 0.804 214 A CB -0.429 18.580 19.000 0.016 0.000 0.823 214 A HN 0.333 nan 8.150 nan 0.000 0.482 215 S N -0.378 115.327 115.700 0.010 0.000 2.531 215 S HA 0.316 4.787 4.470 0.001 0.000 0.279 215 S C 1.048 175.651 174.600 0.005 0.000 1.305 215 S CA -0.497 57.708 58.200 0.008 0.000 1.058 215 S CB 0.204 63.408 63.200 0.007 0.000 0.899 215 S HN 0.384 nan 8.310 nan 0.000 0.493 216 L N 2.929 124.154 121.223 0.004 0.000 2.291 216 L HA 0.155 4.496 4.340 0.001 0.000 0.214 216 L C 0.758 177.631 176.870 0.005 0.000 1.120 216 L CA 0.744 55.587 54.840 0.004 0.000 0.799 216 L CB -0.025 42.035 42.059 0.001 0.000 0.925 216 L HN 0.583 nan 8.230 nan 0.000 0.446 217 D N -0.660 119.742 120.400 0.004 0.000 2.400 217 D HA 0.291 4.932 4.640 0.001 0.000 0.272 217 D C 0.780 177.082 176.300 0.003 0.000 1.220 217 D CA -0.014 53.989 54.000 0.004 0.000 0.897 217 D CB 1.289 42.091 40.800 0.004 0.000 1.134 217 D HN 0.016 nan 8.370 nan 0.000 0.507 218 A N 2.352 125.173 122.820 0.001 0.000 2.019 218 A HA 0.057 4.378 4.320 0.001 0.000 0.219 218 A C 2.124 179.704 177.584 -0.006 0.000 1.164 218 A CA 1.647 53.681 52.037 -0.004 0.000 0.644 218 A CB -0.240 18.754 19.000 -0.009 0.000 0.805 218 A HN 0.536 nan 8.150 nan 0.000 0.449 219 A N -0.085 122.733 122.820 -0.003 0.000 1.902 219 A HA -0.155 4.165 4.320 0.001 0.000 0.217 219 A C 2.127 179.712 177.584 0.000 0.000 1.181 219 A CA 1.937 53.973 52.037 -0.002 0.000 0.623 219 A CB -0.394 18.609 19.000 0.004 0.000 0.818 219 A HN 0.554 nan 8.150 nan 0.000 0.443 220 K N -0.441 119.960 120.400 0.002 0.000 2.007 220 K HA -0.078 4.242 4.320 0.001 0.000 0.206 220 K C 2.235 178.836 176.600 0.002 0.000 1.047 220 K CA 1.433 57.722 56.287 0.003 0.000 0.937 220 K CB -0.261 32.241 32.500 0.003 0.000 0.718 220 K HN 0.359 nan 8.250 nan 0.000 0.438 221 S N 0.184 115.885 115.700 0.002 0.000 2.402 221 S HA -0.137 4.333 4.470 0.001 0.000 0.233 221 S C 1.734 176.335 174.600 0.002 0.000 1.030 221 S CA 1.877 60.080 58.200 0.004 0.000 1.003 221 S CB -0.285 62.919 63.200 0.007 0.000 0.813 221 S HN 0.470 nan 8.310 nan 0.000 0.477 222 T N 1.324 115.876 114.554 -0.003 0.000 2.937 222 T HA 0.038 4.389 4.350 0.001 0.000 0.260 222 T C 2.396 177.096 174.700 -0.001 0.000 1.051 222 T CA 1.475 63.571 62.100 -0.006 0.000 1.141 222 T CB -0.350 68.510 68.868 -0.014 0.000 0.879 222 T HN 0.563 nan 8.240 nan 0.000 0.459 223 K N 1.423 121.824 120.400 0.001 0.000 2.097 223 K HA 0.049 4.370 4.320 0.001 0.000 0.206 223 K C 2.092 178.697 176.600 0.007 0.000 1.049 223 K CA 1.237 57.527 56.287 0.005 0.000 0.933 223 K CB -1.187 31.317 32.500 0.006 0.000 0.717 223 K HN 0.482 nan 8.250 nan 0.000 0.442 224 I N 0.400 120.974 120.570 0.006 0.000 2.142 224 I HA -0.237 3.934 4.170 0.001 0.000 0.240 224 I C 2.488 178.610 176.117 0.009 0.000 1.078 224 I CA 1.302 62.606 61.300 0.008 0.000 1.343 224 I CB -0.158 37.846 38.000 0.007 0.000 1.046 224 I HN 0.223 nan 8.210 nan 0.000 0.405 225 L N -0.192 121.033 121.223 0.005 0.000 2.191 225 L HA -0.170 4.171 4.340 0.001 0.000 0.212 225 L C 2.687 179.563 176.870 0.011 0.000 1.103 225 L CA 0.710 55.551 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 0.213 nan 8.230 nan 0.000 0.438 226 R N 0.548 121.055 120.500 0.012 0.000 2.066 226 R HA -0.051 4.290 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 1.384 57.495 56.100 0.018 0.000 0.955 226 R CB -1.211 29.097 30.300 0.013 0.000 0.851 226 R HN 0.369 nan 8.270 nan 0.000 0.432 227 G N 0.982 109.796 108.800 0.024 0.000 2.505 227 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 227 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 227 G C 1.314 176.243 174.900 0.047 0.000 1.145 227 G CA 0.714 45.831 45.100 0.029 0.000 0.761 227 G HN 0.191 nan 8.290 nan 0.000 0.571 228 L N 0.270 121.522 121.223 0.048 0.000 2.109 228 L HA 0.203 4.544 4.340 0.001 0.000 0.207 228 L C 2.779 179.726 176.870 0.128 0.000 1.086 228 L CA 0.841 55.725 54.840 0.073 0.000 0.760 228 L CB -0.488 41.581 42.059 0.015 0.000 0.910 228 L HN 0.207 nan 8.230 nan 0.000 0.437 229 I N 0.111 120.734 120.570 0.088 0.000 2.353 229 I HA -0.219 3.952 4.170 0.001 0.000 0.248 229 I C 1.119 177.322 176.117 0.143 0.000 1.119 229 I CA 1.253 62.620 61.300 0.112 0.000 1.417 229 I CB -0.252 37.785 38.000 0.062 0.000 1.078 229 I HN 0.390 nan 8.210 nan 0.000 0.421 230 D N -0.253 120.201 120.400 0.089 0.000 2.368 230 D HA 0.044 4.684 4.640 0.001 0.000 0.218 230 D C 0.689 176.999 176.300 0.017 0.000 1.112 230 D CA -0.257 53.775 54.000 0.054 0.000 0.834 230 D CB -0.049 40.770 40.800 0.033 0.000 0.953 230 D HN 0.079 nan 8.370 nan 0.000 0.505 231 K N 0.012 120.430 120.400 0.030 0.000 2.118 231 K HA 0.323 4.644 4.320 0.001 0.000 0.240 231 K C 0.517 176.959 176.600 -0.264 0.000 1.035 231 K CA 0.285 56.542 56.287 -0.050 0.000 0.899 231 K CB 0.612 33.129 32.500 0.028 0.000 1.085 231 K HN 0.083 nan 8.250 nan 0.000 0.498 232 T N -2.352 111.968 114.554 -0.390 0.000 3.130 232 T HA 0.216 4.566 4.350 0.001 0.000 0.288 232 T C -0.867 173.466 174.700 -0.611 0.000 0.936 232 T CA -0.594 61.119 62.100 -0.644 0.000 0.897 232 T CB 0.182 68.869 68.868 -0.301 0.000 1.178 232 T HN 0.396 nan 8.240 nan 0.000 0.543 233 D N 1.773 121.945 120.400 -0.380 0.000 2.425 233 D HA 0.235 4.876 4.640 0.001 0.000 0.240 233 D C -1.569 174.782 176.300 0.085 0.000 1.080 233 D CA -0.450 53.463 54.000 -0.146 0.000 0.836 233 D CB 1.544 42.300 40.800 -0.073 0.000 1.125 233 D HN 0.135 nan 8.370 nan 0.000 0.525 234 Y N 2.906 123.194 120.300 -0.020 0.000 2.804 234 Y HA 0.130 4.680 4.550 0.001 0.000 0.330 234 Y C 0.070 175.945 175.900 -0.040 0.000 1.092 234 Y CA -0.978 57.142 58.100 0.033 0.000 1.315 234 Y CB 0.270 38.673 38.460 -0.095 0.000 1.188 234 Y HN -0.018 nan 8.280 nan 0.000 0.512 235 K N 6.940 127.329 120.400 -0.018 0.000 2.121 235 K HA -0.006 4.314 4.320 0.001 0.000 0.235 235 K C 0.610 177.009 176.600 -0.337 0.000 1.200 235 K CA 0.063 56.217 56.287 -0.222 0.000 1.115 235 K CB -0.881 31.552 32.500 -0.112 0.000 1.474 235 K HN 0.736 nan 8.250 nan 0.000 0.295 236 F N -0.410 119.166 119.950 -0.622 0.000 2.615 236 F HA 0.110 4.637 4.527 0.001 0.000 0.297 236 F C 0.559 176.202 175.800 -0.262 0.000 1.124 236 F CA -0.477 57.109 58.000 -0.690 0.000 1.451 236 F CB 0.245 38.577 39.000 -1.112 0.000 1.103 236 F HN -0.068 nan 8.300 nan 0.000 0.569 237 V N 1.518 121.049 119.914 -0.638 0.000 2.760 237 V HA 0.341 4.462 4.120 0.001 0.000 0.309 237 V C -0.772 175.159 176.094 -0.272 0.000 1.077 237 V CA -0.975 61.131 62.300 -0.324 0.000 0.910 237 V CB 1.719 33.368 31.823 -0.290 0.000 1.008 237 V HN 0.181 nan 8.190 nan 0.000 0.424 238 N N 5.802 124.423 118.700 -0.131 0.000 3.210 238 N HA 0.334 5.075 4.740 0.001 0.000 0.314 238 N C -0.742 174.721 175.510 -0.078 0.000 1.291 238 N CA 0.391 53.381 53.050 -0.101 0.000 1.202 238 N CB -0.757 37.689 38.487 -0.068 0.000 1.475 238 N HN 0.612 nan 8.380 nan 0.000 0.554 239 I N -1.178 119.324 120.570 -0.114 0.000 2.913 239 I HA 0.346 4.516 4.170 0.001 0.000 0.302 239 I C 0.712 176.773 176.117 -0.094 0.000 1.246 239 I CA -1.606 59.653 61.300 -0.069 0.000 1.010 239 I CB 2.032 40.006 38.000 -0.044 0.000 1.259 239 I HN 0.078 nan 8.210 nan 0.000 0.434 240 G N 3.389 112.162 108.800 -0.045 0.000 2.414 240 G HA2 0.305 4.266 3.960 0.001 0.000 0.236 240 G HA3 0.305 4.266 3.960 0.001 0.000 0.236 240 G C 0.190 175.058 174.900 -0.054 0.000 1.293 240 G CA -0.021 45.054 45.100 -0.042 0.000 0.869 240 G HN 0.614 nan 8.290 nan 0.000 0.556 241 L N 1.655 122.839 121.223 -0.065 0.000 2.906 241 L HA 0.143 4.484 4.340 0.001 0.000 0.255 241 L C 1.079 177.943 176.870 -0.011 0.000 1.166 241 L CA -0.225 54.587 54.840 -0.046 0.000 0.977 241 L CB 0.189 42.192 42.059 -0.094 0.000 1.313 241 L HN 0.388 nan 8.230 nan 0.000 0.549 242 S N 0.597 116.291 115.700 -0.010 0.000 2.561 242 S HA -0.016 4.454 4.470 0.001 0.000 0.294 242 S C 0.556 175.152 174.600 -0.006 0.000 1.294 242 S CA 0.213 58.413 58.200 -0.000 0.000 1.055 242 S CB 0.358 63.564 63.200 0.009 0.000 0.819 242 S HN 0.167 nan 8.310 nan 0.000 0.503 243 T N 5.214 119.765 114.554 -0.005 0.000 2.779 243 T HA 0.188 4.539 4.350 0.001 0.000 0.296 243 T C 0.034 174.733 174.700 -0.002 0.000 0.938 243 T CA -0.445 61.638 62.100 -0.028 0.000 1.119 243 T CB 0.181 69.037 68.868 -0.020 0.000 0.891 243 T HN 0.282 nan 8.240 nan 0.000 0.526 244 K N 3.784 124.182 120.400 -0.003 0.000 2.307 244 K HA 0.355 4.676 4.320 0.001 0.000 0.263 244 K C 0.456 177.155 176.600 0.165 0.000 0.973 244 K CA -0.684 55.659 56.287 0.092 0.000 0.846 244 K CB 1.488 34.003 32.500 0.024 0.000 1.100 244 K HN 0.447 nan 8.250 nan 0.000 0.438 245 N N 0.250 119.057 118.700 0.178 0.000 2.348 245 N HA -0.008 4.732 4.740 0.001 0.000 0.183 245 N C -0.225 175.476 175.510 0.317 0.000 1.094 245 N CA 0.027 53.214 53.050 0.229 0.000 0.885 245 N CB 0.538 39.111 38.487 0.144 0.000 1.065 245 N HN 0.270 nan 8.380 nan 0.000 0.472 246 S N 2.411 118.266 115.700 0.257 0.000 2.498 246 S HA 0.109 4.579 4.470 0.001 0.000 0.281 246 S C 0.384 175.131 174.600 0.245 0.000 1.265 246 S CA -0.472 57.870 58.200 0.237 0.000 1.071 246 S CB 0.359 63.663 63.200 0.174 0.000 0.894 246 S HN 0.100 nan 8.310 nan 0.000 0.491 247 L N 3.664 124.986 121.223 0.165 0.000 2.605 247 L HA -0.045 4.296 4.340 0.001 0.000 0.296 247 L C 1.126 178.015 176.870 0.030 0.000 1.255 247 L CA 0.894 55.758 54.840 0.041 0.000 0.879 247 L CB -0.601 41.430 42.059 -0.047 0.000 1.124 247 L HN 0.602 nan 8.230 nan 0.000 0.507 248 T N 2.698 117.242 114.554 -0.018 0.000 2.793 248 T HA 0.168 4.519 4.350 0.001 0.000 0.289 248 T C 0.637 175.218 174.700 -0.198 0.000 0.956 248 T CA -0.162 61.808 62.100 -0.217 0.000 1.177 248 T CB -0.332 68.430 68.868 -0.176 0.000 0.897 248 T HN 0.806 nan 8.240 nan 0.000 0.533 249 T N 1.301 115.714 114.554 -0.235 0.000 2.868 249 T HA 0.132 4.483 4.350 0.001 0.000 0.292 249 T C 1.729 176.315 174.700 -0.191 0.000 1.028 249 T CA -0.653 61.348 62.100 -0.165 0.000 1.059 249 T CB 0.856 69.645 68.868 -0.132 0.000 0.991 249 T HN 0.416 nan 8.240 nan 0.000 0.531 250 T N 1.424 115.871 114.554 -0.178 0.000 2.699 250 T HA -0.142 4.208 4.350 0.001 0.000 0.268 250 T C 1.422 175.993 174.700 -0.215 0.000 1.036 250 T CA 1.962 63.924 62.100 -0.230 0.000 1.147 250 T CB -0.614 68.126 68.868 -0.215 0.000 0.862 250 T HN 0.712 nan 8.240 nan 0.000 0.446 251 D N 0.511 120.814 120.400 -0.162 0.000 2.178 251 D HA -0.032 4.609 4.640 0.001 0.000 0.202 251 D C 2.204 178.423 176.300 -0.135 0.000 0.974 251 D CA 0.849 54.769 54.000 -0.134 0.000 0.841 251 D CB -0.197 40.544 40.800 -0.098 0.000 0.953 251 D HN 0.527 nan 8.370 nan 0.000 0.478 252 E N 0.206 120.307 120.200 -0.165 0.000 2.028 252 E HA -0.072 4.279 4.350 0.001 0.000 0.191 252 E C 2.325 178.834 176.600 -0.153 0.000 0.988 252 E CA 0.405 56.697 56.400 -0.179 0.000 0.799 252 E CB -0.013 29.491 29.700 -0.326 0.000 0.755 252 E HN 0.229 nan 8.360 nan 0.000 0.447 253 I N 1.162 121.623 120.570 -0.180 0.000 2.194 253 I HA -0.372 3.799 4.170 0.001 0.000 0.246 253 I C 2.759 178.802 176.117 -0.124 0.000 1.093 253 I CA 1.405 62.619 61.300 -0.144 0.000 1.355 253 I CB -0.331 37.537 38.000 -0.220 0.000 1.046 253 I HN 0.233 nan 8.210 nan 0.000 0.413 254 Q N 0.248 119.947 119.800 -0.167 0.000 2.084 254 Q HA -0.234 4.107 4.340 0.001 0.000 0.202 254 Q C 2.327 178.285 176.000 -0.070 0.000 0.978 254 Q CA 2.172 57.898 55.803 -0.129 0.000 0.844 254 Q CB -0.043 28.608 28.738 -0.145 0.000 0.898 254 Q HN 0.331 nan 8.270 nan 0.000 0.426 255 S N -0.408 115.251 115.700 -0.068 0.000 2.406 255 S HA -0.042 4.429 4.470 0.001 0.000 0.228 255 S C 1.812 176.397 174.600 -0.025 0.000 1.020 255 S CA 0.678 58.852 58.200 -0.042 0.000 0.965 255 S CB -0.164 63.013 63.200 -0.039 0.000 0.798 255 S HN 0.405 nan 8.310 nan 0.000 0.488 256 I N 1.655 122.212 120.570 -0.020 0.000 2.099 256 I HA -0.202 3.969 4.170 0.001 0.000 0.239 256 I C 2.193 178.314 176.117 0.007 0.000 1.066 256 I CA 1.561 62.863 61.300 0.003 0.000 1.324 256 I CB -1.211 36.799 38.000 0.017 0.000 1.037 256 I HN 0.339 nan 8.210 nan 0.000 0.401 257 I N 0.550 121.131 120.570 0.018 0.000 2.286 257 I HA -0.256 3.915 4.170 0.001 0.000 0.248 257 I C 2.725 178.841 176.117 -0.001 0.000 1.115 257 I CA 1.117 62.434 61.300 0.030 0.000 1.392 257 I CB -0.356 37.690 38.000 0.076 0.000 1.065 257 I HN 0.160 nan 8.210 nan 0.000 0.418 258 S N 0.703 116.395 115.700 -0.013 0.000 2.370 258 S HA -0.171 4.300 4.470 0.001 0.000 0.226 258 S C 1.833 176.412 174.600 -0.035 0.000 1.033 258 S CA 1.327 59.512 58.200 -0.025 0.000 1.011 258 S CB -0.351 62.833 63.200 -0.028 0.000 0.852 258 S HN 0.447 nan 8.310 nan 0.000 0.457 259 N N 0.723 119.402 118.700 -0.036 0.000 2.084 259 N HA -0.105 4.635 4.740 0.001 0.000 0.190 259 N C 2.107 177.564 175.510 -0.088 0.000 1.030 259 N CA 1.816 54.831 53.050 -0.059 0.000 0.849 259 N CB -0.752 37.709 38.487 -0.042 0.000 1.012 259 N HN 0.543 nan 8.380 nan 0.000 0.423 260 T N 0.672 115.193 114.554 -0.055 0.000 2.867 260 T HA 0.009 4.360 4.350 0.001 0.000 0.268 260 T C 2.159 176.830 174.700 -0.048 0.000 1.057 260 T CA 0.541 62.610 62.100 -0.052 0.000 1.136 260 T CB -0.101 68.759 68.868 -0.012 0.000 0.874 260 T HN 0.086 nan 8.240 nan 0.000 0.466 261 L N 0.250 121.449 121.223 -0.040 0.000 2.027 261 L HA 0.056 4.397 4.340 0.001 0.000 0.206 261 L C 2.995 179.839 176.870 -0.043 0.000 1.074 261 L CA 1.654 56.472 54.840 -0.037 0.000 0.745 261 L CB -0.475 41.561 42.059 -0.039 0.000 0.898 261 L HN 0.274 nan 8.230 nan 0.000 0.433 262 K N 0.251 120.618 120.400 -0.055 0.000 2.211 262 K HA -0.120 4.200 4.320 0.001 0.000 0.203 262 K C 1.782 178.333 176.600 -0.082 0.000 1.050 262 K CA 1.207 57.460 56.287 -0.057 0.000 0.945 262 K CB 0.088 32.556 32.500 -0.054 0.000 0.732 262 K HN 0.279 nan 8.250 nan 0.000 0.451 263 A N 0.801 123.535 122.820 -0.143 0.000 2.195 263 A HA 0.052 4.373 4.320 0.001 0.000 0.210 263 A C 0.624 178.141 177.584 -0.112 0.000 1.165 263 A CA 0.191 52.082 52.037 -0.243 0.000 0.806 263 A CB -0.166 18.462 19.000 -0.620 0.000 0.847 263 A HN 0.473 nan 8.150 nan 0.000 0.482 264 R N -0.493 119.975 120.500 -0.053 0.000 2.965 264 R HA -0.138 4.203 4.340 0.001 0.000 0.245 264 R C -2.541 173.779 176.300 0.033 0.000 0.861 264 R CA 0.345 56.445 56.100 0.001 0.000 0.614 264 R CB -1.548 28.762 30.300 0.017 0.000 1.229 264 R HN 0.248 nan 8.270 nan 0.000 0.503 265 P HA -0.021 nan 4.420 nan 0.000 0.268 265 P C -0.562 176.796 177.300 0.097 0.000 1.205 265 P CA -0.343 62.812 63.100 0.091 0.000 0.771 265 P CB 0.574 32.321 31.700 0.079 0.000 0.858 266 L N 5.164 126.458 121.223 0.119 0.000 2.261 266 L HA 0.298 4.638 4.340 0.001 0.000 0.289 266 L C -0.969 175.983 176.870 0.135 0.000 1.059 266 L CA -0.201 54.711 54.840 0.120 0.000 0.816 266 L CB 0.415 42.544 42.059 0.117 0.000 1.191 266 L HN 0.031 nan 8.230 nan 0.000 0.431 267 V N 5.865 125.858 119.914 0.131 0.000 2.294 267 V HA 0.304 4.424 4.120 0.001 0.000 0.272 267 V C 0.248 176.429 176.094 0.146 0.000 1.027 267 V CA -0.522 61.838 62.300 0.100 0.000 0.823 267 V CB 0.799 32.672 31.823 0.084 0.000 1.030 267 V HN 0.854 nan 8.190 nan 0.000 0.457 268 Q N 3.692 123.549 119.800 0.095 0.000 2.286 268 Q HA 0.166 4.507 4.340 0.001 0.000 0.267 268 Q C -0.833 175.173 176.000 0.011 0.000 1.028 268 Q CA -0.137 55.734 55.803 0.113 0.000 0.901 268 Q CB 0.340 29.166 28.738 0.146 0.000 1.183 268 Q HN 0.777 nan 8.270 nan 0.000 0.392 269 H N 4.050 123.130 119.070 0.017 0.000 2.556 269 H HA 0.349 4.906 4.556 0.001 0.000 0.310 269 H C -0.751 174.586 175.328 0.016 0.000 1.057 269 H CA -0.333 55.716 56.048 0.002 0.000 1.264 269 H CB 0.729 30.496 29.762 0.008 0.000 1.404 269 H HN 0.562 nan 8.280 nan 0.000 0.462 270 I N 3.733 124.346 120.570 0.071 0.000 2.388 270 I HA 0.259 4.430 4.170 0.001 0.000 0.281 270 I C 0.230 176.384 176.117 0.061 0.000 1.046 270 I CA -0.092 61.251 61.300 0.072 0.000 1.187 270 I CB 0.692 38.727 38.000 0.058 0.000 1.351 270 I HN 0.528 nan 8.210 nan 0.000 0.472 271 T N 3.365 117.974 114.554 0.092 0.000 2.754 271 T HA 0.410 4.761 4.350 0.001 0.000 0.296 271 T C -0.405 174.362 174.700 0.110 0.000 1.205 271 T CA -0.728 61.430 62.100 0.096 0.000 1.009 271 T CB 1.102 70.046 68.868 0.127 0.000 1.368 271 T HN 0.563 nan 8.240 nan 0.000 0.509 275 H N 1.554 120.678 119.070 0.090 0.000 2.551 275 H HA 0.242 4.799 4.556 0.001 0.000 0.266 275 H C 2.165 177.537 175.328 0.073 0.000 0.977 275 H CA 1.071 57.191 56.048 0.120 0.000 1.163 275 H CB 0.146 29.961 29.762 0.088 0.000 1.381 275 H HN 0.433 nan 8.280 nan 0.000 0.581 276 Q N 0.959 120.832 119.800 0.122 0.000 1.935 276 Q HA -0.216 4.125 4.340 0.001 0.000 0.212 276 Q C 1.995 178.010 176.000 0.025 0.000 1.008 276 Q CA 1.633 57.467 55.803 0.052 0.000 0.868 276 Q CB -0.618 28.142 28.738 0.036 0.000 0.946 276 Q HN 0.421 nan 8.270 nan 0.000 0.418 277 N N 0.144 118.874 118.700 0.051 0.000 2.043 277 N HA -0.155 4.586 4.740 0.001 0.000 0.193 277 N C 1.522 177.115 175.510 0.139 0.000 1.037 277 N CA 1.041 54.128 53.050 0.060 0.000 0.851 277 N CB -0.443 38.074 38.487 0.050 0.000 1.027 277 N HN 0.124 nan 8.380 nan 0.000 0.422 278 F N 1.065 121.013 119.950 -0.003 0.000 2.069 278 F HA 0.001 4.528 4.527 0.001 0.000 0.298 278 F C 2.255 178.069 175.800 0.024 0.000 1.113 278 F CA 1.749 59.764 58.000 0.026 0.000 1.214 278 F CB -1.119 37.922 39.000 0.069 0.000 0.978 278 F HN 0.112 nan 8.300 nan 0.000 0.474 279 G N -0.624 108.161 108.800 -0.025 0.000 2.442 279 G HA2 -0.194 3.766 3.960 0.001 0.000 0.219 279 G HA3 -0.194 3.766 3.960 0.001 0.000 0.219 279 G C 1.807 176.543 174.900 -0.274 0.000 1.141 279 G CA 0.955 45.946 45.100 -0.182 0.000 0.763 279 G HN 0.624 nan 8.290 nan 0.000 0.554 280 A N 0.724 123.386 122.820 -0.263 0.000 2.014 280 A HA 0.020 4.341 4.320 0.001 0.000 0.218 280 A C 2.126 179.654 177.584 -0.093 0.000 1.163 280 A CA 1.580 53.475 52.037 -0.238 0.000 0.652 280 A CB -0.401 18.501 19.000 -0.163 0.000 0.808 280 A HN 0.502 nan 8.150 nan 0.000 0.449 281 N N -0.391 118.285 118.700 -0.039 0.000 2.207 281 N HA -0.069 4.672 4.740 0.001 0.000 0.182 281 N C 1.509 177.014 175.510 -0.009 0.000 1.020 281 N CA 1.109 54.168 53.050 0.014 0.000 0.858 281 N CB -0.100 38.452 38.487 0.108 0.000 0.991 281 N HN 0.226 nan 8.380 nan 0.000 0.427 282 V N 0.885 120.745 119.914 -0.090 0.000 2.343 282 V HA -0.229 3.892 4.120 0.001 0.000 0.247 282 V C 2.130 178.212 176.094 -0.020 0.000 1.051 282 V CA 1.757 64.001 62.300 -0.093 0.000 1.036 282 V CB -0.779 30.917 31.823 -0.211 0.000 0.654 282 V HN 0.396 nan 8.190 nan 0.000 0.451 283 T N 0.241 114.788 114.554 -0.011 0.000 2.737 283 T HA -0.125 4.226 4.350 0.001 0.000 0.265 283 T C 1.893 176.618 174.700 0.042 0.000 1.038 283 T CA 1.267 63.393 62.100 0.044 0.000 1.144 283 T CB -0.331 68.592 68.868 0.092 0.000 0.866 283 T HN 0.171 nan 8.240 nan 0.000 0.434 284 L N 1.395 122.635 121.223 0.028 0.000 2.131 284 L HA 0.129 4.470 4.340 0.001 0.000 0.210 284 L C 2.602 179.522 176.870 0.082 0.000 1.092 284 L CA 1.388 56.254 54.840 0.044 0.000 0.759 284 L CB -1.388 40.686 42.059 0.025 0.000 0.903 284 L HN 0.254 nan 8.230 nan 0.000 0.435 285 A N -1.248 121.625 122.820 0.088 0.000 2.015 285 A HA -0.082 4.239 4.320 0.001 0.000 0.219 285 A C 1.997 179.663 177.584 0.136 0.000 1.163 285 A CA 0.930 53.070 52.037 0.171 0.000 0.646 285 A CB -0.529 18.549 19.000 0.131 0.000 0.806 285 A HN 0.416 nan 8.150 nan 0.000 0.448 286 L N -0.447 120.815 121.223 0.065 0.000 2.645 286 L HA 0.193 4.534 4.340 0.001 0.000 0.234 286 L C 1.406 178.291 176.870 0.025 0.000 1.165 286 L CA 0.354 55.211 54.840 0.028 0.000 0.944 286 L CB -0.518 41.555 42.059 0.024 0.000 1.149 286 L HN 0.545 nan 8.230 nan 0.000 0.446 287 G N 0.681 109.511 108.800 0.050 0.000 2.221 287 G HA2 -0.268 3.693 3.960 0.001 0.000 0.265 287 G HA3 -0.268 3.693 3.960 0.001 0.000 0.265 287 G C 0.043 174.964 174.900 0.035 0.000 1.041 287 G CA 0.465 45.590 45.100 0.042 0.000 0.807 287 G HN 0.478 nan 8.290 nan 0.000 0.502 288 S N -1.108 114.620 115.700 0.046 0.000 2.541 288 S HA 0.779 5.250 4.470 0.001 0.000 0.280 288 S C -0.233 174.404 174.600 0.061 0.000 1.112 288 S CA -0.058 58.172 58.200 0.050 0.000 0.925 288 S CB 2.060 65.291 63.200 0.052 0.000 1.067 288 S HN 1.382 nan 8.310 nan 0.000 0.479 289 S N 2.453 118.191 115.700 0.064 0.000 2.499 289 S HA 0.559 5.030 4.470 0.001 0.000 0.275 289 S C -2.608 172.042 174.600 0.084 0.000 1.257 289 S CA -1.062 57.176 58.200 0.063 0.000 1.050 289 S CB 0.137 63.371 63.200 0.057 0.000 0.937 289 S HN 0.646 nan 8.310 nan 0.000 0.490 290 P HA 0.555 nan 4.420 nan 0.000 0.296 290 P C -0.961 176.391 177.300 0.086 0.000 1.301 290 P CA -0.717 62.445 63.100 0.102 0.000 0.862 290 P CB 1.102 32.794 31.700 -0.015 0.000 1.046 291 I N 3.862 124.514 120.570 0.138 0.000 2.498 291 I HA 0.294 4.464 4.170 0.001 0.000 0.290 291 I C 1.003 177.196 176.117 0.127 0.000 1.032 291 I CA -0.951 60.413 61.300 0.107 0.000 1.073 291 I CB 2.466 40.531 38.000 0.108 0.000 1.251 291 I HN 0.152 nan 8.210 nan 0.000 0.426 292 M N 3.893 123.544 119.600 0.086 0.000 2.756 292 M HA 0.128 4.609 4.480 0.001 0.000 0.320 292 M C 0.561 176.911 176.300 0.083 0.000 1.245 292 M CA 0.002 55.357 55.300 0.091 0.000 0.972 292 M CB -0.359 32.273 32.600 0.053 0.000 1.327 292 M HN 0.465 nan 8.290 nan 0.000 0.505 293 S N 1.817 117.569 115.700 0.087 0.000 2.481 293 S HA 0.101 4.572 4.470 0.001 0.000 0.282 293 S C 0.585 175.233 174.600 0.079 0.000 1.243 293 S CA 0.094 58.339 58.200 0.076 0.000 1.078 293 S CB 0.295 63.541 63.200 0.077 0.000 0.916 293 S HN 0.501 nan 8.310 nan 0.000 0.495 294 E N 4.402 124.642 120.200 0.066 0.000 2.499 294 E HA 0.266 4.616 4.350 0.001 0.000 0.207 294 E C -0.640 175.992 176.600 0.054 0.000 1.034 294 E CA -0.071 56.367 56.400 0.064 0.000 1.098 294 E CB 0.334 30.069 29.700 0.060 0.000 1.148 294 E HN 0.646 nan 8.360 nan 0.000 0.447 295 I N 1.664 122.265 120.570 0.052 0.000 2.315 295 I HA 0.035 4.205 4.170 0.001 0.000 0.291 295 I C 1.497 177.638 176.117 0.039 0.000 1.006 295 I CA -0.170 61.154 61.300 0.040 0.000 1.265 295 I CB 1.369 39.390 38.000 0.035 0.000 1.387 295 I HN 0.091 nan 8.210 nan 0.000 0.475 296 Q N 2.744 122.560 119.800 0.028 0.000 2.050 296 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 296 Q C 2.102 178.109 176.000 0.012 0.000 0.980 296 Q CA 2.167 57.982 55.803 0.020 0.000 0.840 296 Q CB 0.139 28.881 28.738 0.007 0.000 0.898 296 Q HN 0.889 nan 8.270 nan 0.000 0.424 297 S N 0.713 116.418 115.700 0.008 0.000 2.382 297 S HA -0.170 4.300 4.470 0.001 0.000 0.228 297 S C 1.627 176.229 174.600 0.004 0.000 1.027 297 S CA 1.072 59.273 58.200 0.002 0.000 0.991 297 S CB -0.296 62.905 63.200 0.001 0.000 0.823 297 S HN 0.343 nan 8.310 nan 0.000 0.469 298 E N 0.686 120.894 120.200 0.014 0.000 2.150 298 E HA -0.047 4.304 4.350 0.001 0.000 0.193 298 E C 1.984 178.594 176.600 0.016 0.000 0.985 298 E CA 0.679 57.089 56.400 0.017 0.000 0.814 298 E CB -0.274 29.445 29.700 0.032 0.000 0.752 298 E HN 0.307 nan 8.360 nan 0.000 0.466 299 V N 2.003 121.935 119.914 0.029 0.000 2.370 299 V HA -0.317 3.803 4.120 0.001 0.000 0.252 299 V C 1.979 178.057 176.094 -0.026 0.000 1.068 299 V CA 1.742 64.069 62.300 0.045 0.000 1.061 299 V CB -0.359 31.505 31.823 0.069 0.000 0.656 299 V HN 0.330 nan 8.190 nan 0.000 0.455 300 N N -0.267 118.408 118.700 -0.043 0.000 2.207 300 N HA -0.107 4.634 4.740 0.001 0.000 0.182 300 N C 1.513 176.967 175.510 -0.093 0.000 1.020 300 N CA 1.459 54.459 53.050 -0.083 0.000 0.858 300 N CB -0.294 38.157 38.487 -0.062 0.000 0.991 300 N HN 0.523 nan 8.380 nan 0.000 0.427 301 D N 0.812 121.178 120.400 -0.055 0.000 2.144 301 D HA -0.122 4.519 4.640 0.001 0.000 0.199 301 D C 1.986 178.254 176.300 -0.052 0.000 0.984 301 D CA 0.399 54.371 54.000 -0.045 0.000 0.834 301 D CB -0.160 40.627 40.800 -0.021 0.000 0.955 301 D HN 0.110 nan 8.370 nan 0.000 0.465 302 L N 1.216 122.413 121.223 -0.044 0.000 2.017 302 L HA -0.044 4.297 4.340 0.001 0.000 0.208 302 L C 2.292 179.104 176.870 -0.096 0.000 1.073 302 L CA 1.329 56.158 54.840 -0.019 0.000 0.745 302 L CB -1.137 40.953 42.059 0.051 0.000 0.894 302 L HN -0.040 nan 8.230 nan 0.000 0.432 303 A N -1.476 121.163 122.820 -0.300 0.000 2.209 303 A HA 0.101 4.421 4.320 0.001 0.000 0.212 303 A C 2.291 179.696 177.584 -0.299 0.000 1.158 303 A CA 1.155 52.829 52.037 -0.604 0.000 0.742 303 A CB -0.641 17.635 19.000 -1.207 0.000 0.790 303 A HN 0.410 nan 8.150 nan 0.000 0.472 304 A N -0.205 122.511 122.820 -0.173 0.000 2.021 304 A HA 0.269 4.590 4.320 0.001 0.000 0.216 304 A C 0.952 178.494 177.584 -0.071 0.000 1.163 304 A CA 0.024 51.995 52.037 -0.110 0.000 0.676 304 A CB -0.339 18.613 19.000 -0.080 0.000 0.818 304 A HN 0.438 nan 8.150 nan 0.000 0.453 305 I N 1.553 122.095 120.570 -0.047 0.000 2.775 305 I HA 0.035 4.205 4.170 0.001 0.000 0.290 305 I C -2.061 174.055 176.117 -0.001 0.000 1.203 305 I CA -1.367 59.928 61.300 -0.008 0.000 1.433 305 I CB 0.531 38.543 38.000 0.020 0.000 1.354 305 I HN 0.111 nan 8.210 nan 0.000 0.579 306 P HA 0.002 nan 4.420 nan 0.000 0.267 306 P C -0.553 176.786 177.300 0.066 0.000 1.200 306 P CA 0.156 63.244 63.100 -0.020 0.000 0.772 306 P CB 0.159 31.876 31.700 0.028 0.000 0.855 307 H N -1.437 117.653 119.070 0.033 0.000 2.594 307 H HA -0.150 4.406 4.556 0.001 0.000 0.316 307 H C 0.457 175.828 175.328 0.071 0.000 1.107 307 H CA 0.448 56.523 56.048 0.046 0.000 1.133 307 H CB -1.742 28.042 29.762 0.038 0.000 1.459 307 H HN 0.494 nan 8.280 nan 0.000 0.411 308 A N 0.320 123.228 122.820 0.146 0.000 2.287 308 A HA 0.719 5.040 4.320 0.001 0.000 0.273 308 A C 0.601 178.351 177.584 0.276 0.000 1.091 308 A CA 0.418 52.574 52.037 0.199 0.000 0.817 308 A CB 1.007 20.105 19.000 0.163 0.000 1.069 308 A HN 0.321 nan 8.150 nan 0.000 0.492 309 T N 0.530 115.273 114.554 0.315 0.000 3.159 309 T HA 0.406 4.756 4.350 0.001 0.000 0.343 309 T C -1.477 173.150 174.700 -0.121 0.000 1.364 309 T CA -0.365 61.817 62.100 0.137 0.000 1.102 309 T CB 1.083 69.991 68.868 0.067 0.000 1.263 309 T HN 0.666 nan 8.240 nan 0.000 0.477 310 L N 4.017 124.969 121.223 -0.452 0.000 2.287 310 L HA 0.667 5.008 4.340 0.001 0.000 0.287 310 L C -0.948 175.741 176.870 -0.302 0.000 1.022 310 L CA -0.693 53.787 54.840 -0.600 0.000 0.814 310 L CB 0.877 42.312 42.059 -1.040 0.000 1.217 310 L HN 0.588 nan 8.230 nan 0.000 0.420 311 L N 6.785 127.828 121.223 -0.301 0.000 2.307 311 L HA 0.522 4.863 4.340 0.001 0.000 0.284 311 L C -1.568 175.177 176.870 -0.209 0.000 1.023 311 L CA -0.567 54.096 54.840 -0.295 0.000 0.810 311 L CB 1.619 43.369 42.059 -0.514 0.000 1.231 311 L HN 0.688 nan 8.230 nan 0.000 0.423 312 L N 5.084 126.213 121.223 -0.156 0.000 2.404 312 L HA 0.426 4.767 4.340 0.001 0.000 0.272 312 L C -0.957 175.807 176.870 -0.178 0.000 0.980 312 L CA -0.399 54.394 54.840 -0.078 0.000 0.836 312 L CB 1.984 44.083 42.059 0.067 0.000 1.238 312 L HN 0.655 nan 8.230 nan 0.000 0.408 313 N N 1.070 119.691 118.700 -0.131 0.000 2.417 313 N HA 0.508 5.249 4.740 0.001 0.000 0.300 313 N C -0.698 174.743 175.510 -0.115 0.000 1.102 313 N CA -0.294 52.645 53.050 -0.186 0.000 0.886 313 N CB 1.935 40.358 38.487 -0.106 0.000 1.203 313 N HN 0.391 nan 8.380 nan 0.000 0.496 314 T N -0.128 114.322 114.554 -0.174 0.000 2.902 314 T HA 0.496 4.846 4.350 0.001 0.000 0.280 314 T C 1.103 175.784 174.700 -0.031 0.000 0.992 314 T CA 0.360 62.420 62.100 -0.065 0.000 1.015 314 T CB 0.989 69.805 68.868 -0.086 0.000 1.044 314 T HN 0.711 nan 8.240 nan 0.000 0.520 315 G N 1.123 109.927 108.800 0.007 0.000 2.162 315 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 315 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 315 G C 0.380 175.302 174.900 0.036 0.000 0.976 315 G CA 0.388 45.501 45.100 0.022 0.000 0.655 315 G HN 0.925 nan 8.290 nan 0.000 0.533 316 S N -1.330 114.393 115.700 0.039 0.000 2.600 316 S HA 0.443 4.914 4.470 0.001 0.000 0.265 316 S C 1.600 176.231 174.600 0.051 0.000 1.325 316 S CA 0.508 58.738 58.200 0.051 0.000 1.002 316 S CB 1.652 64.886 63.200 0.057 0.000 0.921 316 S HN 1.385 nan 8.310 nan 0.000 0.554 317 V N 2.836 122.780 119.914 0.050 0.000 3.506 317 V HA 0.428 4.549 4.120 0.001 0.000 0.263 317 V C 0.892 177.016 176.094 0.049 0.000 1.203 317 V CA 0.912 63.239 62.300 0.045 0.000 1.133 317 V CB -0.838 31.008 31.823 0.038 0.000 0.802 317 V HN 0.922 nan 8.190 nan 0.000 0.459 318 A N 1.848 124.702 122.820 0.058 0.000 2.371 318 A HA 0.634 4.955 4.320 0.001 0.000 0.257 318 A C -2.385 175.241 177.584 0.070 0.000 1.089 318 A CA -1.094 50.980 52.037 0.061 0.000 0.794 318 A CB -0.213 18.828 19.000 0.068 0.000 1.029 318 A HN 0.451 nan 8.150 nan 0.000 0.488 319 P HA 0.259 nan 4.420 nan 0.000 0.276 319 P C -2.114 175.239 177.300 0.088 0.000 1.230 319 P CA -1.406 61.733 63.100 0.066 0.000 0.776 319 P CB 0.311 32.038 31.700 0.046 0.000 0.888 320 P HA -0.292 nan 4.420 nan 0.000 0.218 320 P C 1.607 178.966 177.300 0.099 0.000 1.154 320 P CA 2.474 65.692 63.100 0.196 0.000 0.872 320 P CB -0.444 31.390 31.700 0.224 0.000 0.790 321 E N -0.460 119.758 120.200 0.031 0.000 2.209 321 E HA -0.242 4.109 4.350 0.001 0.000 0.196 321 E C 1.722 178.280 176.600 -0.070 0.000 0.993 321 E CA 2.095 58.463 56.400 -0.053 0.000 0.819 321 E CB -1.412 28.271 29.700 -0.028 0.000 0.745 321 E HN 0.472 nan 8.360 nan 0.000 0.477 322 M N -1.046 118.548 119.600 -0.009 0.000 2.447 322 M HA 0.252 4.732 4.480 0.001 0.000 0.266 322 M C 2.180 178.497 176.300 0.028 0.000 1.120 322 M CA 1.060 56.363 55.300 0.005 0.000 1.166 322 M CB 0.111 32.730 32.600 0.032 0.000 1.349 322 M HN 0.188 nan 8.290 nan 0.000 0.463 323 L N 1.086 122.355 121.223 0.076 0.000 2.012 323 L HA -0.174 4.167 4.340 0.001 0.000 0.210 323 L C 3.174 180.103 176.870 0.099 0.000 1.073 323 L CA 2.150 57.081 54.840 0.151 0.000 0.748 323 L CB -1.673 40.544 42.059 0.263 0.000 0.891 323 L HN 0.551 nan 8.230 nan 0.000 0.431 324 K N 0.496 120.801 120.400 -0.158 0.000 2.020 324 K HA -0.176 4.145 4.320 0.001 0.000 0.212 324 K C 2.265 178.713 176.600 -0.253 0.000 1.050 324 K CA 1.836 57.752 56.287 -0.618 0.000 0.929 324 K CB -1.539 30.174 32.500 -1.311 0.000 0.714 324 K HN 0.443 nan 8.250 nan 0.000 0.443 325 A N 0.842 123.564 122.820 -0.164 0.000 1.917 325 A HA 0.115 4.435 4.320 0.001 0.000 0.219 325 A C 2.759 180.344 177.584 0.001 0.000 1.182 325 A CA 2.753 54.742 52.037 -0.079 0.000 0.633 325 A CB -0.836 18.136 19.000 -0.047 0.000 0.819 325 A HN 1.015 nan 8.150 nan 0.000 0.448 326 A N -0.416 122.442 122.820 0.062 0.000 1.861 326 A HA 0.123 4.444 4.320 0.001 0.000 0.212 326 A C 2.070 179.792 177.584 0.229 0.000 1.199 326 A CA 1.028 53.169 52.037 0.174 0.000 0.613 326 A CB -0.576 18.534 19.000 0.183 0.000 0.846 326 A HN 0.425 nan 8.150 nan 0.000 0.446 327 I N -0.340 120.333 120.570 0.173 0.000 2.185 327 I HA -0.355 3.816 4.170 0.001 0.000 0.246 327 I C 2.725 178.913 176.117 0.118 0.000 1.088 327 I CA 2.136 63.539 61.300 0.172 0.000 1.347 327 I CB -0.289 37.830 38.000 0.198 0.000 1.041 327 I HN 0.396 nan 8.210 nan 0.000 0.415 328 R N 1.516 122.048 120.500 0.054 0.000 2.062 328 R HA -0.107 4.234 4.340 0.001 0.000 0.231 328 R C 2.338 178.668 176.300 0.050 0.000 1.136 328 R CA 1.786 57.895 56.100 0.015 0.000 0.948 328 R CB -0.685 29.580 30.300 -0.057 0.000 0.845 328 R HN 0.295 nan 8.270 nan 0.000 0.430 329 A N -0.461 122.395 122.820 0.061 0.000 1.958 329 A HA -0.215 4.106 4.320 0.001 0.000 0.221 329 A C 2.023 179.592 177.584 -0.025 0.000 1.178 329 A CA 1.743 53.785 52.037 0.008 0.000 0.642 329 A CB -0.882 18.115 19.000 -0.004 0.000 0.816 329 A HN 0.568 nan 8.150 nan 0.000 0.453 330 Y N -0.564 119.751 120.300 0.026 0.000 2.314 330 Y HA -0.042 4.509 4.550 0.001 0.000 0.294 330 Y C 2.327 178.253 175.900 0.042 0.000 1.119 330 Y CA 1.378 59.502 58.100 0.040 0.000 1.179 330 Y CB -0.413 38.085 38.460 0.065 0.000 1.025 330 Y HN 0.412 nan 8.280 nan 0.000 0.541 331 N N -0.123 118.686 118.700 0.182 0.000 2.244 331 N HA -0.175 4.566 4.740 0.001 0.000 0.183 331 N C 1.015 176.583 175.510 0.097 0.000 1.016 331 N CA 1.043 54.173 53.050 0.134 0.000 0.866 331 N CB -0.045 38.505 38.487 0.105 0.000 0.980 331 N HN 0.252 nan 8.380 nan 0.000 0.430 332 D N 0.272 120.705 120.400 0.054 0.000 2.117 332 D HA -0.088 4.552 4.640 0.001 0.000 0.197 332 D C 1.601 177.907 176.300 0.010 0.000 0.987 332 D CA 0.903 54.917 54.000 0.023 0.000 0.829 332 D CB -0.118 40.676 40.800 -0.010 0.000 0.961 332 D HN 0.063 nan 8.370 nan 0.000 0.460 333 V N 0.085 119.992 119.914 -0.013 0.000 3.623 333 V HA 0.034 4.155 4.120 0.001 0.000 0.271 333 V C 0.649 176.737 176.094 -0.009 0.000 1.248 333 V CA 0.103 62.382 62.300 -0.035 0.000 1.156 333 V CB -0.748 31.018 31.823 -0.095 0.000 0.870 333 V HN 0.266 nan 8.190 nan 0.000 0.453 334 K N 0.013 120.431 120.400 0.030 0.000 3.129 334 K HA -0.180 4.141 4.320 0.001 0.000 0.273 334 K C 0.267 176.891 176.600 0.040 0.000 1.123 334 K CA 0.412 56.717 56.287 0.030 0.000 0.800 334 K CB -0.645 31.847 32.500 -0.014 0.000 1.238 334 K HN 0.378 nan 8.250 nan 0.000 0.492 335 R N 0.017 120.580 120.500 0.105 0.000 2.573 335 R HA 0.363 4.704 4.340 0.001 0.000 0.272 335 R C -2.534 173.904 176.300 0.230 0.000 1.009 335 R CA -2.152 54.048 56.100 0.166 0.000 1.059 335 R CB 0.661 31.101 30.300 0.233 0.000 1.112 335 R HN -0.122 nan 8.270 nan 0.000 0.517 336 P HA 0.302 nan 4.420 nan 0.000 0.281 336 P C -0.454 176.921 177.300 0.124 0.000 1.252 336 P CA -0.035 63.166 63.100 0.168 0.000 0.778 336 P CB 0.543 32.317 31.700 0.125 0.000 0.895 337 I N 2.899 123.571 120.570 0.170 0.000 2.354 337 I HA 0.307 4.478 4.170 0.001 0.000 0.292 337 I C -0.194 176.028 176.117 0.175 0.000 0.989 337 I CA -1.068 60.319 61.300 0.146 0.000 1.188 337 I CB 1.819 40.018 38.000 0.331 0.000 1.342 337 I HN -0.040 nan 8.210 nan 0.000 0.457 338 V N 6.700 126.639 119.914 0.042 0.000 2.370 338 V HA 0.301 4.422 4.120 0.001 0.000 0.283 338 V C -0.588 175.467 176.094 -0.065 0.000 1.023 338 V CA -0.530 61.771 62.300 0.002 0.000 0.857 338 V CB 1.528 33.314 31.823 -0.062 0.000 0.985 338 V HN 0.412 nan 8.190 nan 0.000 0.443 339 F N 4.530 124.278 119.950 -0.337 0.000 2.411 339 F HA 0.588 5.115 4.527 0.001 0.000 0.352 339 F C -0.191 175.397 175.800 -0.352 0.000 1.123 339 F CA -0.981 56.696 58.000 -0.537 0.000 1.044 339 F CB 1.413 39.752 39.000 -1.101 0.000 1.135 339 F HN 0.490 nan 8.300 nan 0.000 0.461 340 D N 8.556 128.446 120.400 -0.849 0.000 2.438 340 D HA 0.292 4.933 4.640 0.001 0.000 0.257 340 D C -2.874 172.905 176.300 -0.868 0.000 1.148 340 D CA -2.289 51.300 54.000 -0.685 0.000 0.902 340 D CB 1.454 41.995 40.800 -0.431 0.000 1.062 340 D HN 0.177 nan 8.370 nan 0.000 0.518 341 P HA 0.037 nan 4.420 nan 0.000 0.277 341 P C 0.337 177.444 177.300 -0.323 0.000 1.354 341 P CA -0.418 62.283 63.100 -0.665 0.000 0.891 341 P CB 1.147 32.572 31.700 -0.459 0.000 1.058 342 V N 4.549 124.314 119.914 -0.248 0.000 2.008 342 V HA 0.408 4.529 4.120 0.001 0.000 0.262 342 V C 0.689 176.736 176.094 -0.077 0.000 1.580 342 V CA 0.826 63.044 62.300 -0.135 0.000 1.515 342 V CB -1.418 30.351 31.823 -0.091 0.000 1.474 342 V HN 0.903 nan 8.190 nan 0.000 0.504 346 A N 0.689 123.512 122.820 0.006 0.000 1.933 346 A HA 0.789 5.110 4.320 0.001 0.000 0.198 346 A C 0.852 178.440 177.584 0.007 0.000 1.617 346 A CA 1.292 53.332 52.037 0.005 0.000 1.039 346 A CB 0.327 19.328 19.000 0.002 0.000 1.066 346 A HN 1.803 nan 8.150 nan 0.000 0.484 347 T N -3.480 111.079 114.554 0.008 0.000 4.266 347 T HA 0.272 4.622 4.350 0.001 0.000 0.368 347 T C 0.107 174.814 174.700 0.012 0.000 0.992 347 T CA -0.027 62.079 62.100 0.010 0.000 1.044 347 T CB 1.052 69.926 68.868 0.010 0.000 1.150 347 T HN 0.074 nan 8.240 nan 0.000 0.470 348 E N 2.175 122.382 120.200 0.012 0.000 2.451 348 E HA -0.300 4.051 4.350 0.001 0.000 0.241 348 E C 1.724 178.333 176.600 0.016 0.000 1.139 348 E CA 2.728 59.136 56.400 0.014 0.000 1.034 348 E CB -0.579 29.129 29.700 0.014 0.000 0.867 348 E HN 0.871 nan 8.360 nan 0.000 0.459 349 T N -0.108 114.456 114.554 0.017 0.000 2.788 349 T HA -0.133 4.217 4.350 0.001 0.000 0.268 349 T C 1.989 176.702 174.700 0.021 0.000 1.044 349 T CA 1.470 63.582 62.100 0.020 0.000 1.139 349 T CB -0.120 68.760 68.868 0.021 0.000 0.867 349 T HN 0.178 nan 8.240 nan 0.000 0.454 350 R N 0.017 120.528 120.500 0.017 0.000 2.062 350 R HA 0.128 4.469 4.340 0.001 0.000 0.226 350 R C 2.412 178.722 176.300 0.016 0.000 1.125 350 R CA 0.669 56.778 56.100 0.016 0.000 0.966 350 R CB -0.536 29.768 30.300 0.008 0.000 0.861 350 R HN 0.234 nan 8.270 nan 0.000 0.433 351 L N 0.994 122.226 121.223 0.015 0.000 2.021 351 L HA -0.257 4.084 4.340 0.001 0.000 0.215 351 L C 2.004 178.883 176.870 0.015 0.000 1.074 351 L CA 1.750 56.599 54.840 0.016 0.000 0.760 351 L CB -0.524 41.545 42.059 0.017 0.000 0.889 351 L HN 0.202 nan 8.230 nan 0.000 0.433 352 L N -0.889 120.343 121.223 0.015 0.000 1.989 352 L HA -0.224 4.117 4.340 0.001 0.000 0.211 352 L C 2.591 179.462 176.870 0.002 0.000 1.071 352 L CA 2.183 57.030 54.840 0.011 0.000 0.749 352 L CB -1.161 40.910 42.059 0.019 0.000 0.890 352 L HN 0.487 nan 8.230 nan 0.000 0.431 353 L N 0.457 121.689 121.223 0.015 0.000 2.046 353 L HA -0.209 4.132 4.340 0.001 0.000 0.208 353 L C 2.193 179.063 176.870 -0.001 0.000 1.077 353 L CA 1.702 56.553 54.840 0.019 0.000 0.747 353 L CB -0.927 41.160 42.059 0.046 0.000 0.896 353 L HN 0.276 nan 8.230 nan 0.000 0.432 354 N N 0.461 119.178 118.700 0.028 0.000 2.058 354 N HA -0.186 4.554 4.740 0.001 0.000 0.191 354 N C 1.637 177.118 175.510 -0.049 0.000 1.037 354 N CA 1.991 55.082 53.050 0.068 0.000 0.848 354 N CB -0.710 37.835 38.487 0.096 0.000 1.021 354 N HN 0.546 nan 8.380 nan 0.000 0.422 355 N N 0.444 119.115 118.700 -0.049 0.000 2.205 355 N HA -0.152 4.588 4.740 0.001 0.000 0.186 355 N C 1.614 177.026 175.510 -0.163 0.000 1.015 355 N CA 0.824 53.831 53.050 -0.073 0.000 0.862 355 N CB -0.001 38.471 38.487 -0.026 0.000 0.986 355 N HN 0.296 nan 8.380 nan 0.000 0.429 356 K N 1.112 121.387 120.400 -0.208 0.000 2.057 356 K HA -0.043 4.277 4.320 0.001 0.000 0.206 356 K C 1.859 177.907 176.600 -0.919 0.000 1.050 356 K CA 0.786 56.836 56.287 -0.394 0.000 0.935 356 K CB 0.033 32.392 32.500 -0.235 0.000 0.715 356 K HN 0.126 nan 8.250 nan 0.000 0.439 357 L N 0.814 121.636 121.223 -0.668 0.000 2.093 357 L HA -0.151 4.190 4.340 0.001 0.000 0.208 357 L C 2.092 178.709 176.870 -0.421 0.000 1.085 357 L CA 0.855 55.311 54.840 -0.640 0.000 0.755 357 L CB -0.270 41.676 42.059 -0.190 0.000 0.904 357 L HN 0.207 nan 8.230 nan 0.000 0.435 358 L N -0.237 120.781 121.223 -0.341 0.000 2.633 358 L HA -0.111 4.230 4.340 0.001 0.000 0.235 358 L C 1.931 178.733 176.870 -0.114 0.000 1.163 358 L CA 1.187 55.913 54.840 -0.190 0.000 0.859 358 L CB -0.649 41.248 42.059 -0.268 0.000 0.973 358 L HN 0.455 nan 8.230 nan 0.000 0.451 359 T N -6.140 108.316 114.554 -0.163 0.000 3.084 359 T HA 0.144 4.495 4.350 0.001 0.000 0.270 359 T C 1.186 176.001 174.700 0.192 0.000 1.008 359 T CA -0.238 61.895 62.100 0.056 0.000 0.900 359 T CB -0.237 68.700 68.868 0.115 0.000 1.084 359 T HN 0.170 nan 8.240 nan 0.000 0.538 360 F N 1.667 121.594 119.950 -0.039 0.000 2.569 360 F HA 0.458 4.985 4.527 0.001 0.000 0.295 360 F C 1.728 177.419 175.800 -0.182 0.000 1.115 360 F CA -0.058 57.889 58.000 -0.088 0.000 1.450 360 F CB 0.510 39.485 39.000 -0.041 0.000 1.107 360 F HN 0.529 nan 8.300 nan 0.000 0.563 361 G N -0.780 107.939 108.800 -0.134 0.000 2.427 361 G HA2 0.213 4.173 3.960 0.001 0.000 0.306 361 G HA3 0.213 4.173 3.960 0.001 0.000 0.306 361 G C -1.933 172.640 174.900 -0.545 0.000 1.280 361 G CA -0.590 44.344 45.100 -0.277 0.000 0.837 361 G HN -0.269 nan 8.290 nan 0.000 0.482 362 Q N 0.207 119.735 119.800 -0.453 0.000 2.314 362 Q HA 0.518 4.859 4.340 0.001 0.000 0.259 362 Q C -1.242 174.424 176.000 -0.555 0.000 0.951 362 Q CA -0.341 55.156 55.803 -0.510 0.000 0.909 362 Q CB 1.242 29.735 28.738 -0.408 0.000 1.236 362 Q HN 0.355 nan 8.270 nan 0.000 0.444 363 F N 0.478 120.330 119.950 -0.163 0.000 2.394 363 F HA 0.189 4.717 4.527 0.001 0.000 0.340 363 F C 1.648 177.466 175.800 0.031 0.000 1.105 363 F CA -0.367 57.602 58.000 -0.052 0.000 1.124 363 F CB 1.345 40.312 39.000 -0.056 0.000 1.145 363 F HN 0.450 nan 8.300 nan 0.000 0.505 364 S N 0.759 116.682 115.700 0.373 0.000 2.428 364 S HA -0.065 4.406 4.470 0.001 0.000 0.230 364 S C 0.125 174.901 174.600 0.293 0.000 1.014 364 S CA 0.310 58.757 58.200 0.412 0.000 0.957 364 S CB 0.023 63.424 63.200 0.335 0.000 0.784 364 S HN 0.686 nan 8.310 nan 0.000 0.499 365 C N 1.110 120.556 119.300 0.242 0.000 2.931 365 C HA 0.603 5.063 4.460 0.001 0.000 0.370 365 C C -1.481 173.584 174.990 0.125 0.000 1.071 365 C CA -1.179 57.943 59.018 0.174 0.000 1.266 365 C CB -0.054 27.760 27.740 0.124 0.000 1.691 365 C HN 0.384 nan 8.230 nan 0.000 0.511 366 I N 5.537 126.178 120.570 0.119 0.000 2.354 366 I HA 0.474 4.644 4.170 0.001 0.000 0.292 366 I C -0.200 175.930 176.117 0.022 0.000 0.989 366 I CA -0.218 61.123 61.300 0.069 0.000 1.188 366 I CB 1.419 39.483 38.000 0.107 0.000 1.342 366 I HN 0.580 nan 8.210 nan 0.000 0.457 367 K N 5.413 125.772 120.400 -0.068 0.000 2.376 367 K HA 0.784 5.104 4.320 0.001 0.000 0.257 367 K C -0.852 175.680 176.600 -0.114 0.000 0.939 367 K CA -0.366 55.874 56.287 -0.079 0.000 0.809 367 K CB 2.174 34.601 32.500 -0.122 0.000 1.121 367 K HN 0.853 nan 8.250 nan 0.000 0.425 368 G N 1.917 110.682 108.800 -0.058 0.000 2.721 368 G HA2 0.313 4.274 3.960 0.001 0.000 0.296 368 G HA3 0.313 4.274 3.960 0.001 0.000 0.296 368 G C -1.615 173.277 174.900 -0.014 0.000 1.383 368 G CA -0.805 44.260 45.100 -0.060 0.000 0.788 368 G HN 0.720 nan 8.290 nan 0.000 0.500 369 N N -1.465 117.232 118.700 -0.005 0.000 2.402 369 N HA 0.334 5.075 4.740 0.001 0.000 0.294 369 N C 1.482 177.020 175.510 0.046 0.000 1.203 369 N CA 0.249 53.316 53.050 0.028 0.000 0.838 369 N CB 1.523 40.020 38.487 0.018 0.000 1.306 369 N HN 0.852 nan 8.380 nan 0.000 0.510 370 S N 1.257 117.000 115.700 0.072 0.000 2.570 370 S HA -0.375 4.096 4.470 0.001 0.000 0.328 370 S C 1.697 176.328 174.600 0.051 0.000 1.282 370 S CA 2.486 60.730 58.200 0.075 0.000 1.204 370 S CB -1.498 61.746 63.200 0.073 0.000 1.271 370 S HN 0.661 nan 8.310 nan 0.000 0.449 371 S N 2.409 118.131 115.700 0.036 0.000 2.343 371 S HA -0.127 4.343 4.470 0.001 0.000 0.219 371 S C 2.012 176.626 174.600 0.022 0.000 1.033 371 S CA 1.517 59.733 58.200 0.026 0.000 1.014 371 S CB -0.650 62.561 63.200 0.018 0.000 0.915 371 S HN 0.791 nan 8.310 nan 0.000 0.435 372 E N 0.678 120.885 120.200 0.011 0.000 2.153 372 E HA -0.103 4.248 4.350 0.001 0.000 0.194 372 E C 1.825 178.437 176.600 0.021 0.000 0.988 372 E CA 0.833 57.233 56.400 -0.000 0.000 0.811 372 E CB -0.203 29.476 29.700 -0.035 0.000 0.746 372 E HN 0.365 nan 8.360 nan 0.000 0.466 373 I N 0.921 121.514 120.570 0.038 0.000 2.406 373 I HA -0.154 4.016 4.170 0.001 0.000 0.249 373 I C 2.335 178.492 176.117 0.066 0.000 1.122 373 I CA 0.981 62.319 61.300 0.062 0.000 1.431 373 I CB -0.703 37.346 38.000 0.081 0.000 1.087 373 I HN 0.157 nan 8.210 nan 0.000 0.424 374 L N 0.374 121.629 121.223 0.053 0.000 2.056 374 L HA -0.106 4.235 4.340 0.001 0.000 0.207 374 L C 2.660 179.559 176.870 0.048 0.000 1.078 374 L CA 1.463 56.330 54.840 0.045 0.000 0.749 374 L CB -1.117 40.964 42.059 0.036 0.000 0.901 374 L HN 0.257 nan 8.230 nan 0.000 0.433 375 G N 0.139 108.966 108.800 0.045 0.000 2.446 375 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 375 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 375 G C 1.634 176.575 174.900 0.069 0.000 1.168 375 G CA 0.580 45.707 45.100 0.046 0.000 0.771 375 G HN 0.228 nan 8.290 nan 0.000 0.551 376 L N 0.542 121.816 121.223 0.086 0.000 2.201 376 L HA 0.027 4.368 4.340 0.001 0.000 0.212 376 L C 3.151 180.138 176.870 0.195 0.000 1.105 376 L CA 0.806 55.734 54.840 0.148 0.000 0.775 376 L CB -0.095 42.047 42.059 0.138 0.000 0.913 376 L HN 0.331 nan 8.230 nan 0.000 0.440 377 A N -1.041 121.854 122.820 0.126 0.000 2.169 377 A HA -0.032 4.288 4.320 0.001 0.000 0.212 377 A C 0.679 178.299 177.584 0.060 0.000 1.153 377 A CA 0.101 52.194 52.037 0.094 0.000 0.756 377 A CB -0.061 18.979 19.000 0.067 0.000 0.813 377 A HN 0.482 nan 8.150 nan 0.000 0.471 378 E N -2.191 118.045 120.200 0.061 0.000 2.266 378 E HA -0.171 4.180 4.350 0.001 0.000 0.209 378 E C 0.378 176.993 176.600 0.026 0.000 1.286 378 E CA 0.031 56.456 56.400 0.042 0.000 0.677 378 E CB -2.733 26.989 29.700 0.035 0.000 1.173 378 E HN 1.046 nan 8.360 nan 0.000 0.384 395 N N -0.228 118.460 118.700 -0.021 0.000 2.324 395 N HA 0.313 5.054 4.740 0.001 0.000 0.235 395 N C 0.939 176.350 175.510 -0.165 0.000 1.162 395 N CA 0.616 53.639 53.050 -0.044 0.000 0.834 395 N CB 0.289 38.738 38.487 -0.063 0.000 1.354 395 N HN 0.567 nan 8.380 nan 0.000 0.471 396 E N 0.206 120.320 120.200 -0.143 0.000 2.208 396 E HA -0.079 4.271 4.350 0.001 0.000 0.193 396 E C 1.407 177.902 176.600 -0.175 0.000 0.988 396 E CA 0.506 56.801 56.400 -0.176 0.000 0.828 396 E CB 0.173 29.806 29.700 -0.112 0.000 0.763 396 E HN 0.178 nan 8.360 nan 0.000 0.478 397 L N 0.976 122.128 121.223 -0.118 0.000 2.056 397 L HA -0.125 4.215 4.340 0.001 0.000 0.207 397 L C 1.975 178.783 176.870 -0.103 0.000 1.078 397 L CA 1.462 56.251 54.840 -0.086 0.000 0.749 397 L CB -0.254 41.779 42.059 -0.043 0.000 0.901 397 L HN 0.115 nan 8.230 nan 0.000 0.433 398 L N -0.914 120.241 121.223 -0.114 0.000 2.079 398 L HA -0.266 4.074 4.340 0.001 0.000 0.210 398 L C 2.540 179.246 176.870 -0.272 0.000 1.081 398 L CA 1.407 56.188 54.840 -0.098 0.000 0.752 398 L CB -0.537 41.551 42.059 0.049 0.000 0.896 398 L HN 0.316 nan 8.230 nan 0.000 0.433 399 I N -0.653 119.588 120.570 -0.547 0.000 2.179 399 I HA -0.321 3.849 4.170 0.001 0.000 0.242 399 I C 2.675 178.650 176.117 -0.236 0.000 1.088 399 I CA 1.397 62.355 61.300 -0.570 0.000 1.357 399 I CB -0.447 37.198 38.000 -0.593 0.000 1.051 399 I HN 0.450 nan 8.210 nan 0.000 0.409 400 Q N 1.023 120.719 119.800 -0.174 0.000 2.050 400 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 400 Q C 2.349 178.315 176.000 -0.056 0.000 0.980 400 Q CA 2.136 57.880 55.803 -0.098 0.000 0.840 400 Q CB -0.043 28.645 28.738 -0.083 0.000 0.898 400 Q HN 0.535 nan 8.270 nan 0.000 0.424 401 A N -0.032 122.761 122.820 -0.045 0.000 1.902 401 A HA -0.173 4.148 4.320 0.001 0.000 0.217 401 A C 2.220 179.826 177.584 0.037 0.000 1.181 401 A CA 1.971 54.010 52.037 0.004 0.000 0.623 401 A CB -0.990 18.020 19.000 0.016 0.000 0.818 401 A HN 0.471 nan 8.150 nan 0.000 0.443 402 T N 0.166 114.739 114.554 0.032 0.000 2.720 402 T HA -0.145 4.206 4.350 0.001 0.000 0.268 402 T C 1.893 176.646 174.700 0.090 0.000 1.037 402 T CA 1.707 63.859 62.100 0.087 0.000 1.144 402 T CB -0.197 68.745 68.868 0.124 0.000 0.864 402 T HN 0.533 nan 8.240 nan 0.000 0.444 403 K N 0.553 120.980 120.400 0.046 0.000 2.057 403 K HA 0.058 4.379 4.320 0.001 0.000 0.206 403 K C 2.275 178.923 176.600 0.080 0.000 1.050 403 K CA 0.982 57.301 56.287 0.054 0.000 0.935 403 K CB -0.373 32.127 32.500 0.000 0.000 0.715 403 K HN 0.343 nan 8.250 nan 0.000 0.439 404 I N 0.987 121.589 120.570 0.052 0.000 2.163 404 I HA -0.306 3.865 4.170 0.001 0.000 0.243 404 I C 2.358 178.541 176.117 0.111 0.000 1.085 404 I CA 1.203 62.541 61.300 0.064 0.000 1.347 404 I CB -0.382 37.636 38.000 0.031 0.000 1.044 404 I HN -0.091 nan 8.210 nan 0.000 0.408 405 V N 0.938 120.933 119.914 0.134 0.000 2.295 405 V HA -0.315 3.805 4.120 0.001 0.000 0.246 405 V C 2.713 178.942 176.094 0.225 0.000 1.049 405 V CA 2.034 64.463 62.300 0.216 0.000 1.024 405 V CB -1.062 30.895 31.823 0.223 0.000 0.648 405 V HN 0.516 nan 8.190 nan 0.000 0.447 406 A N -0.626 122.305 122.820 0.185 0.000 1.883 406 A HA -0.275 4.046 4.320 0.001 0.000 0.217 406 A C 2.148 179.817 177.584 0.141 0.000 1.186 406 A CA 2.285 54.425 52.037 0.172 0.000 0.624 406 A CB -0.772 18.322 19.000 0.156 0.000 0.822 406 A HN 0.526 nan 8.150 nan 0.000 0.444 407 F N 0.251 120.197 119.950 -0.007 0.000 2.084 407 F HA -0.131 4.397 4.527 0.001 0.000 0.296 407 F C 2.286 178.004 175.800 -0.138 0.000 1.111 407 F CA 2.266 60.229 58.000 -0.061 0.000 1.224 407 F CB -0.133 38.829 39.000 -0.064 0.000 0.991 407 F HN 0.173 nan 8.300 nan 0.000 0.471 408 K N -0.099 120.258 120.400 -0.073 0.000 2.034 408 K HA -0.255 4.066 4.320 0.001 0.000 0.214 408 K C 1.327 177.564 176.600 -0.605 0.000 1.051 408 K CA 2.306 58.354 56.287 -0.397 0.000 0.931 408 K CB -0.705 31.454 32.500 -0.569 0.000 0.715 408 K HN 0.458 nan 8.250 nan 0.000 0.446 409 Y N 0.888 121.113 120.300 -0.126 0.000 2.532 409 Y HA 0.225 4.776 4.550 0.001 0.000 0.283 409 Y C -0.363 175.402 175.900 -0.224 0.000 1.181 409 Y CA -0.540 57.474 58.100 -0.143 0.000 1.256 409 Y CB 0.467 38.914 38.460 -0.022 0.000 1.112 409 Y HN -0.126 nan 8.280 nan 0.000 0.521 410 K N 1.573 121.817 120.400 -0.260 0.000 4.040 410 K HA -0.220 4.100 4.320 0.001 0.000 0.279 410 K C -0.207 176.358 176.600 -0.057 0.000 0.890 410 K CA 1.064 57.156 56.287 -0.326 0.000 0.782 410 K CB -1.409 30.569 32.500 -0.871 0.000 1.613 410 K HN 0.463 nan 8.250 nan 0.000 0.440 411 T N -1.685 112.912 114.554 0.072 0.000 2.802 411 T HA 0.398 4.749 4.350 0.001 0.000 0.311 411 T C -0.992 173.824 174.700 0.193 0.000 1.405 411 T CA -0.569 61.634 62.100 0.172 0.000 1.016 411 T CB 1.494 70.470 68.868 0.181 0.000 1.352 411 T HN -0.024 nan 8.240 nan 0.000 0.498 412 V N 2.940 122.992 119.914 0.230 0.000 2.439 412 V HA 0.587 4.708 4.120 0.001 0.000 0.271 412 V C 0.764 176.981 176.094 0.206 0.000 1.040 412 V CA -0.218 62.224 62.300 0.238 0.000 1.002 412 V CB 0.179 32.178 31.823 0.293 0.000 1.000 412 V HN 0.978 nan 8.190 nan 0.000 0.477 413 A N 5.562 128.501 122.820 0.197 0.000 2.304 413 A HA 0.783 5.104 4.320 0.001 0.000 0.323 413 A C -0.604 177.082 177.584 0.169 0.000 1.195 413 A CA -0.504 51.634 52.037 0.170 0.000 0.826 413 A CB 1.319 20.422 19.000 0.171 0.000 1.184 413 A HN 0.619 nan 8.150 nan 0.000 0.496 414 V N 1.836 121.825 119.914 0.125 0.000 2.417 414 V HA 0.403 4.524 4.120 0.001 0.000 0.291 414 V C -0.305 175.849 176.094 0.100 0.000 1.024 414 V CA -0.548 61.820 62.300 0.113 0.000 0.861 414 V CB 1.312 33.168 31.823 0.055 0.000 0.985 414 V HN 1.013 nan 8.190 nan 0.000 0.436 415 C N 6.021 125.411 119.300 0.149 0.000 2.291 415 C HA 0.676 5.136 4.460 0.001 0.000 0.322 415 C C 0.799 175.854 174.990 0.109 0.000 1.205 415 C CA -0.435 58.675 59.018 0.154 0.000 1.495 415 C CB -0.237 27.659 27.740 0.260 0.000 2.127 415 C HN 1.021 nan 8.230 nan 0.000 0.452 416 T N 3.380 117.963 114.554 0.049 0.000 2.910 416 T HA 0.771 5.122 4.350 0.001 0.000 0.293 416 T C 0.531 175.256 174.700 0.042 0.000 1.015 416 T CA 0.367 62.478 62.100 0.018 0.000 1.094 416 T CB 1.597 70.459 68.868 -0.009 0.000 0.968 416 T HN 1.463 nan 8.240 nan 0.000 0.521 417 G N 1.003 109.817 108.800 0.023 0.000 2.474 417 G HA2 0.278 4.239 3.960 0.001 0.000 0.234 417 G HA3 0.278 4.239 3.960 0.001 0.000 0.234 417 G C 0.180 175.090 174.900 0.016 0.000 1.204 417 G CA -0.016 45.114 45.100 0.051 0.000 0.939 417 G HN 0.669 nan 8.290 nan 0.000 0.491 418 E N -0.903 119.325 120.200 0.046 0.000 2.031 418 E HA 0.049 4.400 4.350 0.001 0.000 0.193 418 E C 0.067 176.522 176.600 -0.242 0.000 0.994 418 E CA 0.822 57.182 56.400 -0.066 0.000 0.800 418 E CB -0.112 29.590 29.700 0.003 0.000 0.752 418 E HN 0.282 nan 8.360 nan 0.000 0.447 419 F N 1.397 121.245 119.950 -0.169 0.000 2.399 419 F HA 0.261 4.788 4.527 0.001 0.000 0.334 419 F C 0.061 175.511 175.800 -0.584 0.000 1.097 419 F CA -1.113 56.656 58.000 -0.385 0.000 1.076 419 F CB 1.033 39.712 39.000 -0.534 0.000 1.162 419 F HN -0.154 nan 8.300 nan 0.000 0.495 420 D N 3.129 123.329 120.400 -0.334 0.000 2.232 420 D HA 0.279 4.919 4.640 0.001 0.000 0.242 420 D C -0.806 175.259 176.300 -0.391 0.000 1.093 420 D CA -0.038 53.788 54.000 -0.291 0.000 0.845 420 D CB 1.392 42.139 40.800 -0.088 0.000 1.124 420 D HN 0.205 nan 8.370 nan 0.000 0.467 421 F N 1.573 121.604 119.950 0.134 0.000 2.436 421 F HA 0.461 4.988 4.527 0.001 0.000 0.340 421 F C 0.345 176.225 175.800 0.133 0.000 1.113 421 F CA -1.036 57.042 58.000 0.130 0.000 1.022 421 F CB 1.238 40.303 39.000 0.108 0.000 1.128 421 F HN 0.042 nan 8.300 nan 0.000 0.466 422 I N 2.995 123.766 120.570 0.335 0.000 2.389 422 I HA 0.627 4.797 4.170 0.001 0.000 0.288 422 I C -0.401 175.952 176.117 0.392 0.000 0.999 422 I CA -0.401 61.094 61.300 0.326 0.000 1.129 422 I CB 1.756 39.925 38.000 0.282 0.000 1.288 422 I HN 0.669 nan 8.210 nan 0.000 0.444 423 A N 3.927 126.931 122.820 0.307 0.000 2.355 423 A HA 0.653 4.974 4.320 0.001 0.000 0.317 423 A C -1.130 176.520 177.584 0.110 0.000 1.094 423 A CA -0.539 51.610 52.037 0.186 0.000 0.764 423 A CB 1.094 20.177 19.000 0.137 0.000 1.230 423 A HN 0.604 nan 8.150 nan 0.000 0.448 424 D N 2.251 122.559 120.400 -0.154 0.000 2.412 424 D HA 0.444 5.085 4.640 0.001 0.000 0.224 424 D C 0.812 177.089 176.300 -0.039 0.000 1.093 424 D CA 0.270 54.146 54.000 -0.207 0.000 0.850 424 D CB 1.147 41.511 40.800 -0.726 0.000 1.046 424 D HN 0.528 nan 8.370 nan 0.000 0.507 425 G N 2.022 110.866 108.800 0.073 0.000 3.502 425 G HA2 -0.053 3.908 3.960 0.001 0.000 0.267 425 G HA3 -0.053 3.908 3.960 0.001 0.000 0.267 425 G C 1.272 176.226 174.900 0.091 0.000 1.090 425 G CA 0.306 45.479 45.100 0.121 0.000 0.795 425 G HN 0.529 nan 8.290 nan 0.000 0.535 426 T N -0.846 113.794 114.554 0.145 0.000 2.995 426 T HA 0.018 4.368 4.350 0.001 0.000 0.269 426 T C 1.590 176.454 174.700 0.274 0.000 1.091 426 T CA 0.446 62.712 62.100 0.275 0.000 1.128 426 T CB -0.335 68.734 68.868 0.335 0.000 0.891 426 T HN 0.578 nan 8.240 nan 0.000 0.492 427 I N 1.989 122.660 120.570 0.168 0.000 6.572 427 I HA -0.289 3.881 4.170 0.001 0.000 0.126 427 I C 0.386 176.592 176.117 0.149 0.000 1.771 427 I CA 0.894 62.289 61.300 0.158 0.000 2.241 427 I CB -2.262 35.855 38.000 0.197 0.000 3.401 427 I HN 0.514 nan 8.210 nan 0.000 0.227 428 E N -0.964 119.301 120.200 0.108 0.000 3.170 428 E HA -0.303 4.048 4.350 0.001 0.000 0.284 428 E C 1.207 177.832 176.600 0.042 0.000 0.967 428 E CA 0.766 57.199 56.400 0.055 0.000 0.919 428 E CB -1.645 28.074 29.700 0.032 0.000 1.469 428 E HN 1.281 nan 8.360 nan 0.000 0.444 429 G N 0.435 109.305 108.800 0.116 0.000 2.160 429 G HA2 -0.341 3.619 3.960 0.001 0.000 0.251 429 G HA3 -0.341 3.619 3.960 0.001 0.000 0.251 429 G C 0.061 174.946 174.900 -0.024 0.000 1.008 429 G CA 0.627 45.711 45.100 -0.027 0.000 0.724 429 G HN 0.081 nan 8.290 nan 0.000 0.514 430 K N 0.083 120.560 120.400 0.129 0.000 2.297 430 K HA 0.503 4.824 4.320 0.001 0.000 0.286 430 K C 0.119 176.878 176.600 0.264 0.000 1.053 430 K CA -0.253 56.088 56.287 0.091 0.000 0.940 430 K CB 0.849 33.397 32.500 0.080 0.000 1.019 430 K HN 0.658 nan 8.250 nan 0.000 0.475 431 Y N -1.589 118.796 120.300 0.140 0.000 2.576 431 Y HA 0.656 5.207 4.550 0.001 0.000 0.346 431 Y C -0.383 175.570 175.900 0.090 0.000 1.018 431 Y CA -1.117 57.079 58.100 0.161 0.000 1.050 431 Y CB 1.731 40.311 38.460 0.200 0.000 1.280 431 Y HN 0.558 nan 8.280 nan 0.000 0.474 432 S N 1.607 117.470 115.700 0.271 0.000 2.588 432 S HA 0.660 5.131 4.470 0.001 0.000 0.269 432 S C -1.731 172.974 174.600 0.175 0.000 1.157 432 S CA -1.154 57.147 58.200 0.168 0.000 0.824 432 S CB 1.079 64.322 63.200 0.071 0.000 1.126 432 S HN 0.885 nan 8.310 nan 0.000 0.464 433 L N 2.171 123.475 121.223 0.134 0.000 2.371 433 L HA 0.644 4.985 4.340 0.001 0.000 0.272 433 L C 1.667 178.586 176.870 0.082 0.000 1.124 433 L CA 0.457 55.361 54.840 0.106 0.000 0.816 433 L CB 0.541 42.659 42.059 0.098 0.000 1.129 433 L HN 1.342 nan 8.230 nan 0.000 0.448 434 S N 0.233 115.974 115.700 0.067 0.000 3.002 434 S HA -0.354 4.117 4.470 0.001 0.000 0.289 434 S C 1.388 176.019 174.600 0.052 0.000 1.309 434 S CA 2.175 60.408 58.200 0.054 0.000 1.195 434 S CB -1.714 61.525 63.200 0.064 0.000 1.433 434 S HN 0.823 nan 8.310 nan 0.000 0.711 435 K N -1.062 119.374 120.400 0.060 0.000 2.183 435 K HA 0.703 5.024 4.320 0.001 0.000 0.218 435 K C 2.413 179.047 176.600 0.057 0.000 1.025 435 K CA 1.361 57.682 56.287 0.057 0.000 0.944 435 K CB -1.020 31.515 32.500 0.058 0.000 0.936 435 K HN 1.433 nan 8.250 nan 0.000 0.460 436 G N -1.322 107.521 108.800 0.073 0.000 2.633 436 G HA2 0.222 4.183 3.960 0.001 0.000 0.198 436 G HA3 0.222 4.183 3.960 0.001 0.000 0.198 436 G C 0.535 175.503 174.900 0.112 0.000 1.198 436 G CA 0.867 46.022 45.100 0.091 0.000 0.685 436 G HN 0.465 nan 8.290 nan 0.000 0.868 437 T N 2.512 117.142 114.554 0.127 0.000 2.806 437 T HA 0.301 4.652 4.350 0.001 0.000 0.290 437 T C -0.145 174.615 174.700 0.101 0.000 0.966 437 T CA -0.591 61.596 62.100 0.145 0.000 1.060 437 T CB 0.507 69.516 68.868 0.235 0.000 0.927 437 T HN 0.111 nan 8.240 nan 0.000 0.485 438 N N 3.582 122.333 118.700 0.085 0.000 2.736 438 N HA 0.055 4.795 4.740 0.001 0.000 0.307 438 N C 1.419 176.958 175.510 0.047 0.000 1.212 438 N CA 0.550 53.634 53.050 0.057 0.000 1.158 438 N CB -0.454 38.062 38.487 0.047 0.000 1.460 438 N HN 1.006 nan 8.380 nan 0.000 0.514 439 G N 0.785 109.609 108.800 0.040 0.000 2.244 439 G HA2 -0.324 3.637 3.960 0.001 0.000 0.274 439 G HA3 -0.324 3.637 3.960 0.001 0.000 0.274 439 G C 0.116 175.020 174.900 0.006 0.000 1.002 439 G CA 0.736 45.847 45.100 0.019 0.000 0.740 439 G HN 0.449 nan 8.290 nan 0.000 0.516 440 T N 1.417 115.993 114.554 0.036 0.000 2.875 440 T HA 0.542 4.893 4.350 0.001 0.000 0.307 440 T C 0.759 175.414 174.700 -0.076 0.000 1.013 440 T CA 0.311 62.424 62.100 0.022 0.000 0.970 440 T CB 1.062 69.993 68.868 0.106 0.000 0.986 440 T HN 0.870 nan 8.240 nan 0.000 0.536 441 S N 2.266 117.835 115.700 -0.219 0.000 2.707 441 S HA 0.363 4.834 4.470 0.001 0.000 0.276 441 S C 1.654 175.821 174.600 -0.721 0.000 1.179 441 S CA -0.859 57.044 58.200 -0.495 0.000 0.992 441 S CB 0.846 63.866 63.200 -0.300 0.000 1.030 441 S HN 0.215 nan 8.310 nan 0.000 0.554 442 V N 1.751 121.102 119.914 -0.938 0.000 2.363 442 V HA -0.195 3.926 4.120 0.001 0.000 0.254 442 V C 2.668 178.591 176.094 -0.286 0.000 1.074 442 V CA 2.441 64.382 62.300 -0.598 0.000 1.069 442 V CB -1.021 30.589 31.823 -0.355 0.000 0.659 442 V HN 0.841 nan 8.190 nan 0.000 0.455 443 E N 0.703 120.761 120.200 -0.237 0.000 2.106 443 E HA -0.165 4.186 4.350 0.001 0.000 0.192 443 E C 1.271 177.808 176.600 -0.105 0.000 0.984 443 E CA 1.545 57.861 56.400 -0.140 0.000 0.806 443 E CB -0.351 29.279 29.700 -0.118 0.000 0.750 443 E HN 0.945 nan 8.360 nan 0.000 0.458 444 D N 0.069 120.401 120.400 -0.113 0.000 2.593 444 D HA 0.133 4.774 4.640 0.001 0.000 0.241 444 D C 0.757 177.031 176.300 -0.043 0.000 1.257 444 D CA -0.333 53.627 54.000 -0.066 0.000 0.828 444 D CB -0.752 40.013 40.800 -0.059 0.000 1.049 444 D HN 0.173 nan 8.370 nan 0.000 0.490 445 I N -2.749 117.797 120.570 -0.041 0.000 2.612 445 I HA 0.466 4.637 4.170 0.001 0.000 0.295 445 I C -2.141 173.961 176.117 -0.025 0.000 1.011 445 I CA -2.506 58.785 61.300 -0.015 0.000 1.326 445 I CB 0.338 38.355 38.000 0.028 0.000 1.427 445 I HN -0.306 nan 8.210 nan 0.000 0.537 446 P HA -0.033 nan 4.420 nan 0.000 0.260 446 P C -0.816 176.470 177.300 -0.024 0.000 1.185 446 P CA -0.039 63.021 63.100 -0.066 0.000 0.763 446 P CB 0.364 31.906 31.700 -0.264 0.000 0.776 447 C N 5.516 124.884 119.300 0.113 0.000 2.446 447 C HA 0.563 5.023 4.460 0.001 0.000 0.329 447 C C -0.083 175.064 174.990 0.262 0.000 1.166 447 C CA -0.396 58.733 59.018 0.185 0.000 1.341 447 C CB 0.402 28.215 27.740 0.121 0.000 1.970 447 C HN 0.554 nan 8.230 nan 0.000 0.452 448 V N 3.889 123.997 119.914 0.323 0.000 2.994 448 V HA 1.032 5.152 4.120 0.001 0.000 0.318 448 V C 0.059 176.330 176.094 0.294 0.000 1.085 448 V CA -0.185 62.265 62.300 0.250 0.000 0.998 448 V CB 1.556 33.485 31.823 0.176 0.000 1.063 448 V HN 1.365 nan 8.190 nan 0.000 0.447 449 A N 1.925 124.891 122.820 0.243 0.000 2.380 449 A HA 0.906 5.227 4.320 0.001 0.000 0.315 449 A C -0.923 176.731 177.584 0.117 0.000 1.101 449 A CA -0.728 51.452 52.037 0.237 0.000 0.771 449 A CB 2.031 21.249 19.000 0.362 0.000 1.287 449 A HN 1.454 nan 8.150 nan 0.000 0.436 450 V N 2.355 122.293 119.914 0.039 0.000 2.488 450 V HA 0.451 4.572 4.120 0.001 0.000 0.293 450 V C -0.910 175.157 176.094 -0.045 0.000 1.027 450 V CA -0.406 61.904 62.300 0.016 0.000 0.862 450 V CB 1.301 33.130 31.823 0.010 0.000 1.008 450 V HN 1.078 nan 8.190 nan 0.000 0.428 451 E N 4.139 124.305 120.200 -0.057 0.000 2.299 451 E HA 0.980 5.330 4.350 0.001 0.000 0.265 451 E C -0.420 176.082 176.600 -0.164 0.000 0.911 451 E CA -0.751 55.504 56.400 -0.241 0.000 0.789 451 E CB 2.601 32.019 29.700 -0.471 0.000 1.246 451 E HN 0.774 nan 8.360 nan 0.000 0.427 466 C N 2.237 121.453 119.300 -0.139 0.000 2.626 466 C HA 0.381 4.841 4.460 0.001 0.000 0.266 466 C C 2.727 177.565 174.990 -0.252 0.000 1.317 466 C CA 0.960 59.790 59.018 -0.313 0.000 1.716 466 C CB -0.808 26.479 27.740 -0.755 0.000 1.819 466 C HN 0.420 nan 8.230 nan 0.000 0.578 467 S N 1.126 116.699 115.700 -0.211 0.000 2.425 467 S HA -0.062 4.409 4.470 0.001 0.000 0.225 467 S C 1.732 176.094 174.600 -0.397 0.000 1.024 467 S CA 0.513 58.547 58.200 -0.277 0.000 0.951 467 S CB -0.216 62.935 63.200 -0.081 0.000 0.796 467 S HN 0.584 nan 8.310 nan 0.000 0.498 468 L N 2.558 123.306 121.223 -0.791 0.000 2.079 468 L HA 0.006 4.347 4.340 0.001 0.000 0.210 468 L C 2.154 178.795 176.870 -0.381 0.000 1.081 468 L CA 1.941 56.271 54.840 -0.850 0.000 0.752 468 L CB -1.324 40.223 42.059 -0.854 0.000 0.896 468 L HN 0.291 nan 8.230 nan 0.000 0.433 469 G N -1.373 107.241 108.800 -0.311 0.000 2.459 469 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 469 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 469 G C 1.541 176.336 174.900 -0.175 0.000 1.183 469 G CA 0.977 45.941 45.100 -0.226 0.000 0.776 469 G HN 0.504 nan 8.290 nan 0.000 0.552 470 S N 0.255 115.870 115.700 -0.141 0.000 2.399 470 S HA -0.110 4.361 4.470 0.001 0.000 0.231 470 S C 2.468 177.043 174.600 -0.041 0.000 1.022 470 S CA 1.674 59.849 58.200 -0.041 0.000 0.983 470 S CB -0.433 62.818 63.200 0.084 0.000 0.803 470 S HN 0.468 nan 8.310 nan 0.000 0.480 471 T N 3.020 117.534 114.554 -0.068 0.000 2.639 471 T HA 0.046 4.397 4.350 0.001 0.000 0.261 471 T C 1.793 176.479 174.700 -0.023 0.000 1.053 471 T CA 1.175 63.262 62.100 -0.022 0.000 1.158 471 T CB -0.536 68.337 68.868 0.008 0.000 0.863 471 T HN 0.290 nan 8.240 nan 0.000 0.413 472 I N 1.674 122.212 120.570 -0.052 0.000 2.181 472 I HA -0.303 3.868 4.170 0.001 0.000 0.247 472 I C 2.917 179.023 176.117 -0.017 0.000 1.081 472 I CA 1.400 62.682 61.300 -0.030 0.000 1.340 472 I CB -0.602 37.370 38.000 -0.048 0.000 1.036 472 I HN 0.229 nan 8.210 nan 0.000 0.417 473 A N -0.171 122.622 122.820 -0.045 0.000 1.908 473 A HA -0.246 4.075 4.320 0.001 0.000 0.218 473 A C 2.421 180.003 177.584 -0.002 0.000 1.181 473 A CA 2.027 54.039 52.037 -0.042 0.000 0.627 473 A CB -1.171 17.763 19.000 -0.110 0.000 0.818 473 A HN 0.574 nan 8.150 nan 0.000 0.445 474 C N -0.898 118.407 119.300 0.008 0.000 2.450 474 C HA -0.033 4.427 4.460 0.001 0.000 0.279 474 C C 2.872 177.879 174.990 0.029 0.000 1.335 474 C CA 1.066 60.100 59.018 0.027 0.000 1.749 474 C CB -0.957 26.802 27.740 0.030 0.000 1.963 474 C HN 0.567 nan 8.230 nan 0.000 0.501 475 M N 0.667 120.284 119.600 0.028 0.000 2.099 475 M HA -0.011 4.470 4.480 0.001 0.000 0.262 475 M C 2.006 178.332 176.300 0.042 0.000 1.067 475 M CA 1.713 57.035 55.300 0.035 0.000 1.124 475 M CB -1.272 31.351 32.600 0.039 0.000 1.353 475 M HN 0.324 nan 8.290 nan 0.000 0.410 476 I N -0.113 120.485 120.570 0.047 0.000 2.361 476 I HA -0.166 4.004 4.170 0.001 0.000 0.251 476 I C 2.514 178.677 176.117 0.076 0.000 1.133 476 I CA 1.169 62.506 61.300 0.062 0.000 1.413 476 I CB -0.983 37.057 38.000 0.067 0.000 1.073 476 I HN 0.333 nan 8.210 nan 0.000 0.424 477 G N 0.639 109.482 108.800 0.072 0.000 2.408 477 G HA2 -0.160 3.801 3.960 0.001 0.000 0.217 477 G HA3 -0.160 3.801 3.960 0.001 0.000 0.217 477 G C 1.688 176.661 174.900 0.121 0.000 1.150 477 G CA 0.782 45.943 45.100 0.103 0.000 0.776 477 G HN 0.497 nan 8.290 nan 0.000 0.542 478 G N -0.519 108.309 108.800 0.046 0.000 2.511 478 G HA2 0.048 4.008 3.960 0.001 0.000 0.217 478 G HA3 0.048 4.008 3.960 0.001 0.000 0.217 478 G C 0.861 175.758 174.900 -0.005 0.000 1.133 478 G CA -0.134 44.939 45.100 -0.045 0.000 0.792 478 G HN 0.286 nan 8.290 nan 0.000 0.539 479 Q N 1.233 121.073 119.800 0.068 0.000 2.283 479 Q HA 0.146 4.487 4.340 0.001 0.000 0.301 479 Q C -2.135 173.955 176.000 0.150 0.000 1.063 479 Q CA -0.704 55.149 55.803 0.083 0.000 0.952 479 Q CB 1.037 29.820 28.738 0.074 0.000 1.166 479 Q HN 0.249 nan 8.270 nan 0.000 0.381 480 P HA 0.240 nan 4.420 nan 0.000 0.286 480 P C 0.521 177.865 177.300 0.073 0.000 1.292 480 P CA -0.571 62.622 63.100 0.154 0.000 0.842 480 P CB 0.773 32.545 31.700 0.119 0.000 1.207 481 S N -0.083 115.644 115.700 0.045 0.000 2.408 481 S HA -0.258 4.212 4.470 0.001 0.000 0.241 481 S C 1.169 175.774 174.600 0.008 0.000 1.080 481 S CA 2.183 60.388 58.200 0.008 0.000 1.109 481 S CB -0.902 62.298 63.200 0.001 0.000 0.966 481 S HN 0.571 nan 8.310 nan 0.000 0.449 482 E N 0.709 120.922 120.200 0.021 0.000 2.502 482 E HA 0.263 4.614 4.350 0.001 0.000 0.194 482 E C 1.125 177.743 176.600 0.030 0.000 1.062 482 E CA 0.333 56.745 56.400 0.020 0.000 0.867 482 E CB -0.399 29.314 29.700 0.022 0.000 0.888 482 E HN 0.482 nan 8.360 nan 0.000 0.510 483 G N 0.982 109.804 108.800 0.036 0.000 2.479 483 G HA2 0.080 4.040 3.960 0.001 0.000 0.275 483 G HA3 0.080 4.040 3.960 0.001 0.000 0.275 483 G C -0.361 174.570 174.900 0.053 0.000 1.421 483 G CA -0.404 44.726 45.100 0.050 0.000 1.059 483 G HN 0.258 nan 8.290 nan 0.000 0.535 484 N N -1.928 116.816 118.700 0.073 0.000 2.478 484 N HA 0.232 4.973 4.740 0.001 0.000 0.291 484 N C 0.568 176.122 175.510 0.073 0.000 1.090 484 N CA -0.661 52.427 53.050 0.063 0.000 0.911 484 N CB 1.722 40.254 38.487 0.075 0.000 1.546 484 N HN 0.288 nan 8.380 nan 0.000 0.500 485 L N 4.163 125.424 121.223 0.065 0.000 2.046 485 L HA 0.140 4.480 4.340 0.001 0.000 0.208 485 L C 1.514 178.476 176.870 0.153 0.000 1.077 485 L CA 1.795 56.693 54.840 0.096 0.000 0.747 485 L CB -0.775 41.337 42.059 0.089 0.000 0.896 485 L HN 0.744 nan 8.230 nan 0.000 0.432 486 F N -0.154 119.784 119.950 -0.021 0.000 2.102 486 F HA -0.224 4.303 4.527 0.001 0.000 0.298 486 F C 2.590 178.405 175.800 0.025 0.000 1.105 486 F CA 1.956 59.943 58.000 -0.021 0.000 1.239 486 F CB -0.679 38.266 39.000 -0.092 0.000 0.991 486 F HN 0.263 nan 8.300 nan 0.000 0.474 487 H N 0.115 119.128 119.070 -0.097 0.000 2.352 487 H HA -0.054 4.503 4.556 0.001 0.000 0.299 487 H C 2.414 177.656 175.328 -0.143 0.000 1.097 487 H CA 1.293 57.218 56.048 -0.204 0.000 1.311 487 H CB -1.136 28.587 29.762 -0.064 0.000 1.377 487 H HN 0.363 nan 8.280 nan 0.000 0.504 488 A N 0.651 123.517 122.820 0.076 0.000 1.892 488 A HA -0.163 4.157 4.320 0.001 0.000 0.218 488 A C 2.874 180.469 177.584 0.018 0.000 1.188 488 A CA 2.124 54.191 52.037 0.051 0.000 0.631 488 A CB -0.968 18.070 19.000 0.063 0.000 0.822 488 A HN 0.236 nan 8.150 nan 0.000 0.447 489 V N -0.458 119.459 119.914 0.004 0.000 2.295 489 V HA -0.237 3.883 4.120 0.001 0.000 0.246 489 V C 2.559 178.628 176.094 -0.042 0.000 1.049 489 V CA 1.959 64.261 62.300 0.004 0.000 1.024 489 V CB -0.949 30.910 31.823 0.060 0.000 0.648 489 V HN 0.370 nan 8.190 nan 0.000 0.447 490 V N 0.409 120.229 119.914 -0.156 0.000 2.287 490 V HA -0.296 3.825 4.120 0.001 0.000 0.248 490 V C 2.771 178.848 176.094 -0.029 0.000 1.053 490 V CA 2.080 64.295 62.300 -0.141 0.000 1.027 490 V CB -1.265 30.385 31.823 -0.288 0.000 0.646 490 V HN 0.564 nan 8.190 nan 0.000 0.447 491 A N 0.618 123.433 122.820 -0.009 0.000 1.884 491 A HA -0.217 4.103 4.320 0.001 0.000 0.219 491 A C 2.463 180.113 177.584 0.111 0.000 1.197 491 A CA 2.374 54.452 52.037 0.067 0.000 0.637 491 A CB -1.467 17.567 19.000 0.056 0.000 0.827 491 A HN 0.556 nan 8.150 nan 0.000 0.450 492 G N -0.804 108.035 108.800 0.065 0.000 2.440 492 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 492 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 492 G C 1.487 176.430 174.900 0.072 0.000 1.154 492 G CA 1.397 46.533 45.100 0.059 0.000 0.767 492 G HN 0.403 nan 8.290 nan 0.000 0.552 493 V N 1.175 121.121 119.914 0.053 0.000 2.515 493 V HA -0.139 3.982 4.120 0.001 0.000 0.250 493 V C 2.908 179.063 176.094 0.101 0.000 1.058 493 V CA 1.562 63.900 62.300 0.063 0.000 1.064 493 V CB -0.316 31.526 31.823 0.032 0.000 0.675 493 V HN 0.307 nan 8.190 nan 0.000 0.461 494 M N -0.752 118.916 119.600 0.114 0.000 2.062 494 M HA -0.125 4.356 4.480 0.001 0.000 0.259 494 M C 2.329 178.693 176.300 0.107 0.000 1.076 494 M CA 1.795 57.194 55.300 0.167 0.000 1.122 494 M CB -1.027 31.738 32.600 0.276 0.000 1.312 494 M HN 0.272 nan 8.290 nan 0.000 0.412 495 L N -0.682 120.597 121.223 0.093 0.000 2.051 495 L HA -0.308 4.033 4.340 0.001 0.000 0.214 495 L C 2.624 179.366 176.870 -0.213 0.000 1.076 495 L CA 2.024 56.710 54.840 -0.256 0.000 0.758 495 L CB -0.567 41.445 42.059 -0.079 0.000 0.890 495 L HN 0.237 nan 8.230 nan 0.000 0.433 496 Y N 0.575 120.790 120.300 -0.141 0.000 2.153 496 Y HA -0.298 4.253 4.550 0.001 0.000 0.289 496 Y C 2.648 178.488 175.900 -0.099 0.000 1.127 496 Y CA 2.002 60.035 58.100 -0.113 0.000 1.131 496 Y CB -0.102 38.319 38.460 -0.065 0.000 0.995 496 Y HN -0.000 nan 8.280 nan 0.000 0.505 497 K N 0.548 120.989 120.400 0.068 0.000 2.152 497 K HA -0.146 4.175 4.320 0.001 0.000 0.206 497 K C 2.097 178.626 176.600 -0.118 0.000 1.048 497 K CA 1.343 57.628 56.287 -0.003 0.000 0.933 497 K CB -0.692 31.831 32.500 0.038 0.000 0.721 497 K HN 0.433 nan 8.250 nan 0.000 0.447 498 A N 0.221 122.935 122.820 -0.178 0.000 1.855 498 A HA -0.004 4.317 4.320 0.001 0.000 0.215 498 A C 2.288 179.673 177.584 -0.330 0.000 1.191 498 A CA 1.784 53.663 52.037 -0.264 0.000 0.613 498 A CB -1.014 17.694 19.000 -0.486 0.000 0.829 498 A HN 0.327 nan 8.150 nan 0.000 0.442 499 A N -0.603 121.968 122.820 -0.415 0.000 2.178 499 A HA 0.166 4.486 4.320 0.001 0.000 0.218 499 A C 2.152 179.514 177.584 -0.370 0.000 1.157 499 A CA 1.740 53.542 52.037 -0.392 0.000 0.689 499 A CB -1.014 17.743 19.000 -0.405 0.000 0.787 499 A HN 0.663 nan 8.150 nan 0.000 0.465 500 G N -0.631 107.971 108.800 -0.329 0.000 2.395 500 G HA2 0.066 4.027 3.960 0.001 0.000 0.214 500 G HA3 0.066 4.027 3.960 0.001 0.000 0.214 500 G C 1.774 176.650 174.900 -0.041 0.000 1.177 500 G CA 1.535 46.529 45.100 -0.176 0.000 0.794 500 G HN 0.729 nan 8.290 nan 0.000 0.532 501 K N 1.119 121.478 120.400 -0.069 0.000 2.020 501 K HA 0.006 4.326 4.320 0.001 0.000 0.212 501 K C 2.361 178.934 176.600 -0.044 0.000 1.050 501 K CA 1.571 57.837 56.287 -0.035 0.000 0.929 501 K CB -0.967 31.506 32.500 -0.046 0.000 0.714 501 K HN 0.388 nan 8.250 nan 0.000 0.443 502 I N 0.627 121.136 120.570 -0.101 0.000 2.151 502 I HA -0.291 3.880 4.170 0.001 0.000 0.243 502 I C 3.040 179.090 176.117 -0.111 0.000 1.080 502 I CA 1.408 62.645 61.300 -0.105 0.000 1.339 502 I CB -0.427 37.485 38.000 -0.145 0.000 1.039 502 I HN 0.465 nan 8.210 nan 0.000 0.409 503 A N 0.713 123.416 122.820 -0.194 0.000 1.877 503 A HA -0.252 4.069 4.320 0.001 0.000 0.216 503 A C 2.500 180.052 177.584 -0.052 0.000 1.186 503 A CA 2.299 54.165 52.037 -0.286 0.000 0.620 503 A CB -0.984 17.557 19.000 -0.766 0.000 0.822 503 A HN 0.536 nan 8.150 nan 0.000 0.443 504 S N -0.105 115.700 115.700 0.176 0.000 2.419 504 S HA -0.223 4.248 4.470 0.001 0.000 0.235 504 S C 1.594 176.267 174.600 0.121 0.000 1.019 504 S CA 1.700 60.087 58.200 0.312 0.000 0.982 504 S CB -0.411 62.935 63.200 0.244 0.000 0.789 504 S HN 0.677 nan 8.310 nan 0.000 0.490 505 E N 1.205 121.435 120.200 0.050 0.000 2.051 505 E HA 0.054 4.405 4.350 0.001 0.000 0.189 505 E C 1.769 178.375 176.600 0.010 0.000 0.979 505 E CA 0.859 57.270 56.400 0.019 0.000 0.803 505 E CB -0.041 29.658 29.700 -0.001 0.000 0.761 505 E HN 0.558 nan 8.360 nan 0.000 0.451 506 K N 0.557 120.951 120.400 -0.009 0.000 2.569 506 K HA 0.053 4.374 4.320 0.001 0.000 0.193 506 K C 0.204 176.798 176.600 -0.011 0.000 1.026 506 K CA -0.046 56.229 56.287 -0.020 0.000 1.093 506 K CB -0.268 32.205 32.500 -0.045 0.000 0.849 506 K HN 0.213 nan 8.250 nan 0.000 0.509 507 C N -1.498 117.814 119.300 0.020 0.000 2.719 507 C HA 0.455 4.915 4.460 0.001 0.000 0.327 507 C C 0.589 175.602 174.990 0.038 0.000 1.238 507 C CA -1.052 57.987 59.018 0.035 0.000 1.727 507 C CB 1.274 29.071 27.740 0.094 0.000 2.256 507 C HN 0.244 nan 8.230 nan 0.000 0.489 508 N N 0.539 119.256 118.700 0.029 0.000 2.187 508 N HA 0.414 5.155 4.740 0.001 0.000 0.212 508 N C 0.447 175.967 175.510 0.017 0.000 1.152 508 N CA 0.870 53.930 53.050 0.017 0.000 0.872 508 N CB 1.294 39.784 38.487 0.005 0.000 1.025 508 N HN 1.156 nan 8.380 nan 0.000 0.514 509 G N -0.580 108.241 108.800 0.035 0.000 2.327 509 G HA2 0.021 3.982 3.960 0.001 0.000 0.291 509 G HA3 0.021 3.982 3.960 0.001 0.000 0.291 509 G C 0.133 175.059 174.900 0.043 0.000 1.290 509 G CA -0.386 44.726 45.100 0.020 0.000 0.857 509 G HN -0.086 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 -0.110 4.361 4.470 0.001 0.000 0.225 510 S C 2.567 177.194 174.600 0.045 0.000 1.039 510 S CA 2.668 60.871 58.200 0.005 0.000 1.033 510 S CB -0.846 62.332 63.200 -0.036 0.000 0.887 510 S HN 1.368 nan 8.310 nan 0.000 0.447 511 G N 1.787 110.590 108.800 0.006 0.000 2.545 511 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 511 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 511 G C 1.719 176.616 174.900 -0.005 0.000 1.218 511 G CA 1.680 46.770 45.100 -0.017 0.000 0.787 511 G HN 0.672 nan 8.290 nan 0.000 0.571 512 S N 0.355 116.062 115.700 0.012 0.000 2.399 512 S HA -0.096 4.375 4.470 0.001 0.000 0.231 512 S C 2.115 176.720 174.600 0.009 0.000 1.022 512 S CA 1.348 59.547 58.200 -0.001 0.000 0.983 512 S CB -0.578 62.621 63.200 -0.001 0.000 0.803 512 S HN 0.379 nan 8.310 nan 0.000 0.480 513 F N 2.315 122.230 119.950 -0.059 0.000 2.154 513 F HA -0.181 4.347 4.527 0.001 0.000 0.301 513 F C 2.647 178.416 175.800 -0.051 0.000 1.087 513 F CA 2.038 60.006 58.000 -0.053 0.000 1.274 513 F CB -0.422 38.548 39.000 -0.050 0.000 1.009 513 F HN 0.271 nan 8.300 nan 0.000 0.485 514 Q N -0.284 119.530 119.800 0.023 0.000 2.020 514 Q HA -0.169 4.171 4.340 0.001 0.000 0.198 514 Q C 2.439 178.371 176.000 -0.114 0.000 0.974 514 Q CA 1.880 57.628 55.803 -0.092 0.000 0.829 514 Q CB -0.418 28.171 28.738 -0.248 0.000 0.894 514 Q HN 0.431 nan 8.270 nan 0.000 0.433 515 V N 0.569 120.422 119.914 -0.100 0.000 2.515 515 V HA -0.182 3.939 4.120 0.001 0.000 0.250 515 V C 1.720 177.755 176.094 -0.097 0.000 1.058 515 V CA 1.857 64.116 62.300 -0.068 0.000 1.064 515 V CB -0.289 31.498 31.823 -0.060 0.000 0.675 515 V HN 0.355 nan 8.190 nan 0.000 0.461 516 E N 0.036 120.141 120.200 -0.159 0.000 2.208 516 E HA -0.111 4.240 4.350 0.001 0.000 0.193 516 E C 2.092 178.533 176.600 -0.264 0.000 0.988 516 E CA 1.367 57.651 56.400 -0.194 0.000 0.828 516 E CB -0.207 29.369 29.700 -0.207 0.000 0.763 516 E HN 0.673 nan 8.360 nan 0.000 0.478 517 L N 0.487 121.488 121.223 -0.370 0.000 2.027 517 L HA -0.128 4.213 4.340 0.001 0.000 0.206 517 L C 2.293 179.063 176.870 -0.166 0.000 1.074 517 L CA 0.895 55.509 54.840 -0.377 0.000 0.745 517 L CB -0.137 41.669 42.059 -0.422 0.000 0.898 517 L HN 0.076 nan 8.230 nan 0.000 0.433 518 I N -0.067 120.480 120.570 -0.038 0.000 2.226 518 I HA -0.325 3.846 4.170 0.001 0.000 0.245 518 I C 2.065 178.180 176.117 -0.004 0.000 1.100 518 I CA 1.282 62.593 61.300 0.019 0.000 1.374 518 I CB -0.453 37.602 38.000 0.091 0.000 1.057 518 I HN 0.284 nan 8.210 nan 0.000 0.413 519 D N 1.097 121.474 120.400 -0.038 0.000 2.092 519 D HA -0.178 4.463 4.640 0.001 0.000 0.193 519 D C 2.285 178.587 176.300 0.003 0.000 0.994 519 D CA 1.756 55.745 54.000 -0.018 0.000 0.828 519 D CB -0.275 40.492 40.800 -0.056 0.000 0.963 519 D HN 0.339 nan 8.370 nan 0.000 0.450 520 A N 0.411 123.178 122.820 -0.087 0.000 1.940 520 A HA -0.138 4.183 4.320 0.001 0.000 0.219 520 A C 2.404 179.903 177.584 -0.142 0.000 1.176 520 A CA 0.949 52.907 52.037 -0.131 0.000 0.631 520 A CB -0.739 18.133 19.000 -0.212 0.000 0.814 520 A HN 0.238 nan 8.150 nan 0.000 0.446 521 L N -2.331 118.820 121.223 -0.120 0.000 2.056 521 L HA -0.186 4.155 4.340 0.001 0.000 0.207 521 L C 2.572 179.418 176.870 -0.040 0.000 1.078 521 L CA 1.799 56.573 54.840 -0.110 0.000 0.749 521 L CB -0.577 41.441 42.059 -0.068 0.000 0.901 521 L HN 0.612 nan 8.230 nan 0.000 0.433 522 Y N 0.841 121.092 120.300 -0.083 0.000 2.114 522 Y HA -0.260 4.290 4.550 0.001 0.000 0.284 522 Y C 2.819 178.692 175.900 -0.044 0.000 1.143 522 Y CA 1.600 59.669 58.100 -0.050 0.000 1.135 522 Y CB -0.103 38.333 38.460 -0.041 0.000 0.980 522 Y HN -0.039 nan 8.280 nan 0.000 0.499 523 R N -0.723 119.819 120.500 0.070 0.000 2.073 523 R HA -0.162 4.179 4.340 0.001 0.000 0.234 523 R C 2.073 178.328 176.300 -0.074 0.000 1.134 523 R CA 1.387 57.486 56.100 -0.002 0.000 0.952 523 R CB -0.645 29.680 30.300 0.043 0.000 0.850 523 R HN 0.289 nan 8.270 nan 0.000 0.433 524 L N 0.756 121.917 121.223 -0.103 0.000 2.081 524 L HA -0.183 4.158 4.340 0.001 0.000 0.212 524 L C 2.471 179.357 176.870 0.027 0.000 1.080 524 L CA 2.256 57.031 54.840 -0.107 0.000 0.754 524 L CB -1.110 40.709 42.059 -0.401 0.000 0.893 524 L HN 0.391 nan 8.230 nan 0.000 0.433 525 T N -5.537 108.982 114.554 -0.059 0.000 3.051 525 T HA -0.029 4.322 4.350 0.001 0.000 0.255 525 T C 1.989 176.638 174.700 -0.085 0.000 1.085 525 T CA 0.003 62.091 62.100 -0.020 0.000 1.109 525 T CB -0.001 68.835 68.868 -0.053 0.000 0.921 525 T HN -0.023 nan 8.240 nan 0.000 0.488 526 R N 2.545 122.929 120.500 -0.193 0.000 2.189 526 R HA 0.121 4.462 4.340 0.001 0.000 0.218 526 R C 0.665 176.919 176.300 -0.076 0.000 1.074 526 R CA 0.714 56.696 56.100 -0.196 0.000 0.991 526 R CB -0.315 29.788 30.300 -0.329 0.000 0.883 526 R HN 0.844 nan 8.270 nan 0.000 0.457 527 E N 0.033 120.220 120.200 -0.021 0.000 2.255 527 E HA 0.263 4.614 4.350 0.001 0.000 0.245 527 E C -1.162 175.485 176.600 0.078 0.000 0.909 527 E CA -0.669 55.744 56.400 0.023 0.000 0.747 527 E CB 0.506 30.227 29.700 0.035 0.000 1.215 527 E HN -0.150 nan 8.360 nan 0.000 0.424 528 N N 2.415 121.139 118.700 0.040 0.000 2.410 528 N HA 0.021 4.761 4.740 0.001 0.000 0.281 528 N C -0.513 174.969 175.510 -0.046 0.000 1.241 528 N CA 0.212 53.277 53.050 0.026 0.000 0.998 528 N CB 0.659 39.129 38.487 -0.028 0.000 1.376 528 N HN 0.616 nan 8.380 nan 0.000 0.490 529 T N -2.050 112.484 114.554 -0.034 0.000 3.483 529 T HA 0.298 4.648 4.350 0.001 0.000 0.258 529 T C -1.975 172.483 174.700 -0.404 0.000 1.013 529 T CA -1.567 60.456 62.100 -0.127 0.000 1.078 529 T CB 0.843 69.707 68.868 -0.006 0.000 1.111 529 T HN 0.028 nan 8.240 nan 0.000 0.538 530 P HA -0.063 nan 4.420 nan 0.000 0.219 530 P C 2.011 178.846 177.300 -0.775 0.000 1.144 530 P CA 1.140 63.319 63.100 -1.535 0.000 0.806 530 P CB -0.223 30.756 31.700 -1.202 0.000 0.771 531 V N -0.989 118.681 119.914 -0.408 0.000 2.469 531 V HA -0.312 3.809 4.120 0.001 0.000 0.251 531 V C 2.396 178.419 176.094 -0.119 0.000 1.064 531 V CA 2.936 65.111 62.300 -0.209 0.000 1.066 531 V CB -1.847 29.892 31.823 -0.140 0.000 0.667 531 V HN 0.114 nan 8.190 nan 0.000 0.461 532 T N -0.633 113.864 114.554 -0.094 0.000 2.746 532 T HA -0.092 4.259 4.350 0.001 0.000 0.267 532 T C 0.519 175.344 174.700 0.208 0.000 1.039 532 T CA 0.935 63.079 62.100 0.073 0.000 1.142 532 T CB -0.341 68.633 68.868 0.176 0.000 0.866 532 T HN 0.720 nan 8.240 nan 0.000 0.444 533 W N 1.063 122.346 121.300 -0.029 0.000 2.210 533 W HA 0.521 5.182 4.660 0.002 0.000 0.330 533 W C 1.519 178.021 176.519 -0.029 0.000 1.334 533 W CA -1.588 55.738 57.345 -0.031 0.000 1.227 533 W CB -0.596 28.844 29.460 -0.034 0.000 1.178 533 W HN 0.166 nan 8.180 nan 0.000 0.560 534 A N 4.965 127.898 122.820 0.188 0.000 1.948 534 A HA -0.121 4.200 4.320 0.001 0.000 0.220 534 A C -0.966 176.660 177.584 0.070 0.000 1.177 534 A CA 1.042 53.131 52.037 0.086 0.000 0.636 534 A CB -2.137 16.880 19.000 0.027 0.000 0.815 534 A HN 0.432 nan 8.150 nan 0.000 0.449 535 P HA 0.303 nan 4.420 nan 0.000 0.285 535 P C -1.204 176.132 177.300 0.061 0.000 1.259 535 P CA -0.147 62.987 63.100 0.057 0.000 0.794 535 P CB 0.946 32.688 31.700 0.069 0.000 0.940 536 K N 2.606 123.026 120.400 0.034 0.000 2.234 536 K HA 0.367 4.688 4.320 0.001 0.000 0.277 536 K C -0.271 176.356 176.600 0.045 0.000 1.038 536 K CA -0.877 55.434 56.287 0.039 0.000 0.888 536 K CB 0.949 33.473 32.500 0.040 0.000 1.091 536 K HN 0.321 nan 8.250 nan 0.000 0.467 537 L N 4.073 125.318 121.223 0.037 0.000 2.287 537 L HA 0.177 4.518 4.340 0.001 0.000 0.280 537 L C -0.003 176.881 176.870 0.023 0.000 1.055 537 L CA 0.147 55.004 54.840 0.028 0.000 0.863 537 L CB 0.366 42.426 42.059 0.001 0.000 1.245 537 L HN 0.747 nan 8.230 nan 0.000 0.432 538 T N 0.482 115.074 114.554 0.063 0.000 2.880 538 T HA 0.446 4.796 4.350 0.001 0.000 0.279 538 T C 0.353 175.074 174.700 0.035 0.000 0.990 538 T CA -0.550 61.599 62.100 0.083 0.000 0.938 538 T CB 0.601 69.559 68.868 0.149 0.000 1.206 538 T HN 0.460 nan 8.240 nan 0.000 0.573 539 H N -0.189 118.958 119.070 0.128 0.000 2.508 539 H HA 0.602 5.158 4.556 0.001 0.000 0.344 539 H C 0.880 176.290 175.328 0.135 0.000 1.192 539 H CA 0.052 56.180 56.048 0.133 0.000 1.290 539 H CB 1.276 31.098 29.762 0.101 0.000 1.571 539 H HN 1.072 nan 8.280 nan 0.000 0.555 540 T N 0.000 114.720 114.554 0.277 0.000 3.816 540 T HA 0.000 4.351 4.350 0.001 0.000 0.228 540 T CA 0.000 62.204 62.100 0.174 0.000 1.349 540 T CB 0.000 68.959 68.868 0.151 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658