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 3dkb_1_A DATA FIRST_RESID 6003 DATA SEQUENCE EQVLPQALYL SNMRKAVKIR ERTPEDIFKP TNGIIHHFKT MHRYTLEMFR DATA SEQUENCE TCQFCPQFRE IIHKALIDRN IQATLESQKK LNWCREVRKL VALKTNGDGN DATA SEQUENCE CLMHATSQYM WGVQDTDLVL RKALFSTLKE TDTRNFKFRW QLESLKSQEF DATA SEQUENCE VEXXXXYDTR NWNDEWDNLI KMASTDTPMA RSGLQYNSLE EIHIFVLCNI DATA SEQUENCE LRRPIIVISD KMLRSLESGX XXXPLKVGGI YLPLHWPAQE CYRYPIVLGY DATA SEQUENCE DSHHFVPLVT LKDSGPEIRA VPLVNRDRGR FEDLKVHFLT DPENEMKEKL DATA SEQUENCE LKEYLMVIEI PVQGWDHGTT HLINAAKLDE ANLPKEINLV DDYFELVQHE DATA SEQUENCE YKKWQENSEQ 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 6003 E HA 0.000 nan 4.350 nan 0.000 0.291 6003 E C 0.000 176.617 176.600 0.028 0.000 1.382 6003 E CA 0.000 56.414 56.400 0.024 0.000 0.976 6003 E CB 0.000 29.711 29.700 0.019 0.000 0.812 6004 Q N 0.902 120.731 119.800 0.047 0.000 2.608 6004 Q HA 0.091 4.431 4.340 -0.000 0.000 0.301 6004 Q C -0.199 175.806 176.000 0.007 0.000 1.257 6004 Q CA 0.413 56.248 55.803 0.054 0.000 1.044 6004 Q CB -0.029 28.750 28.738 0.069 0.000 1.232 6004 Q HN 0.361 nan 8.270 nan 0.000 0.448 6005 V N 5.802 125.714 119.914 -0.002 0.000 2.242 6005 V HA 0.126 4.246 4.120 -0.000 0.000 0.242 6005 V C -0.518 175.532 176.094 -0.074 0.000 1.240 6005 V CA 0.098 62.377 62.300 -0.035 0.000 1.211 6005 V CB -0.419 31.382 31.823 -0.037 0.000 1.338 6005 V HN 0.627 nan 8.190 nan 0.000 0.499 6006 L N 9.066 130.242 121.223 -0.080 0.000 2.353 6006 L HA 0.519 4.858 4.340 -0.000 0.000 0.270 6006 L C -1.888 174.954 176.870 -0.045 0.000 1.003 6006 L CA -1.824 52.938 54.840 -0.130 0.000 0.862 6006 L CB 2.234 44.218 42.059 -0.125 0.000 1.221 6006 L HN 0.445 nan 8.230 nan 0.000 0.430 6007 P HA -0.161 nan 4.420 nan 0.000 0.267 6007 P C -0.044 177.335 177.300 0.131 0.000 1.175 6007 P CA 0.173 63.296 63.100 0.038 0.000 0.763 6007 P CB 0.953 32.672 31.700 0.031 0.000 0.795 6008 Q N 0.829 120.640 119.800 0.018 0.000 2.378 6008 Q HA 0.140 4.480 4.340 -0.000 0.000 0.205 6008 Q C 0.495 176.470 176.000 -0.041 0.000 0.954 6008 Q CA 0.989 56.786 55.803 -0.009 0.000 0.901 6008 Q CB -0.015 28.701 28.738 -0.037 0.000 0.981 6008 Q HN 0.669 nan 8.270 nan 0.000 0.483 6009 A N -1.466 121.304 122.820 -0.083 0.000 2.515 6009 A HA 0.434 4.754 4.320 -0.000 0.000 0.296 6009 A C 0.002 177.537 177.584 -0.082 0.000 1.094 6009 A CA -0.626 51.325 52.037 -0.143 0.000 0.718 6009 A CB 0.727 19.537 19.000 -0.318 0.000 1.307 6009 A HN 0.204 nan 8.150 nan 0.000 0.408 6010 L N 0.105 121.291 121.223 -0.061 0.000 2.141 6010 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 6010 L C 2.266 179.256 176.870 0.200 0.000 1.094 6010 L CA 1.904 56.769 54.840 0.042 0.000 0.763 6010 L CB -0.595 41.463 42.059 -0.002 0.000 0.908 6010 L HN 1.018 nan 8.230 nan 0.000 0.437 6011 Y N -1.423 118.938 120.300 0.101 0.000 2.571 6011 Y HA -0.000 4.550 4.550 -0.000 0.000 0.294 6011 Y C 2.024 177.978 175.900 0.090 0.000 1.141 6011 Y CA 0.381 58.534 58.100 0.089 0.000 1.308 6011 Y CB -0.704 37.793 38.460 0.061 0.000 1.002 6011 Y HN 0.001 nan 8.280 nan 0.000 0.551 6012 L N 0.720 121.846 121.223 -0.161 0.000 2.313 6012 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 6012 L C 2.479 179.349 176.870 -0.000 0.000 1.119 6012 L CA 1.209 55.978 54.840 -0.118 0.000 0.809 6012 L CB -0.768 41.168 42.059 -0.206 0.000 0.933 6012 L HN 0.477 nan 8.230 nan 0.000 0.449 6013 S N -0.401 115.339 115.700 0.067 0.000 2.469 6013 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 6013 S C 0.892 175.509 174.600 0.028 0.000 0.998 6013 S CA 0.921 59.134 58.200 0.021 0.000 0.957 6013 S CB -0.286 62.975 63.200 0.103 0.000 0.764 6013 S HN 0.541 nan 8.310 nan 0.000 0.514 6014 N N -0.496 118.244 118.700 0.067 0.000 3.153 6014 N HA 0.248 4.988 4.740 -0.000 0.000 0.208 6014 N C -0.064 175.499 175.510 0.089 0.000 1.462 6014 N CA -0.149 52.936 53.050 0.059 0.000 0.754 6014 N CB -0.209 38.311 38.487 0.055 0.000 1.558 6014 N HN 0.122 nan 8.380 nan 0.000 0.605 6015 M N 0.276 119.930 119.600 0.089 0.000 2.358 6015 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 6015 M C 2.060 178.406 176.300 0.077 0.000 1.064 6015 M CA 1.040 56.413 55.300 0.121 0.000 1.093 6015 M CB -0.007 32.658 32.600 0.109 0.000 1.401 6015 M HN 0.328 nan 8.290 nan 0.000 0.440 6016 R N 1.147 121.676 120.500 0.048 0.000 2.066 6016 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 6016 R C 2.010 178.323 176.300 0.021 0.000 1.131 6016 R CA 1.701 57.817 56.100 0.027 0.000 0.955 6016 R CB -0.450 29.860 30.300 0.016 0.000 0.851 6016 R HN 0.404 nan 8.270 nan 0.000 0.432 6017 K N -0.020 120.396 120.400 0.028 0.000 2.063 6017 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 6017 K C 1.911 178.519 176.600 0.013 0.000 1.048 6017 K CA 1.518 57.815 56.287 0.017 0.000 0.928 6017 K CB -0.186 32.330 32.500 0.028 0.000 0.713 6017 K HN 0.177 nan 8.250 nan 0.000 0.442 6018 A N 0.728 123.575 122.820 0.047 0.000 1.940 6018 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 6018 A C 2.213 179.782 177.584 -0.025 0.000 1.176 6018 A CA 1.785 53.841 52.037 0.032 0.000 0.631 6018 A CB -0.629 18.439 19.000 0.112 0.000 0.814 6018 A HN 0.201 nan 8.150 nan 0.000 0.446 6019 V N -0.155 119.753 119.914 -0.009 0.000 2.427 6019 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 6019 V C 2.470 178.535 176.094 -0.047 0.000 1.051 6019 V CA 2.235 64.519 62.300 -0.027 0.000 1.048 6019 V CB -0.587 31.230 31.823 -0.009 0.000 0.666 6019 V HN 0.605 nan 8.190 nan 0.000 0.456 6020 K N -0.069 120.305 120.400 -0.043 0.000 2.026 6020 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 6020 K C 2.094 178.636 176.600 -0.096 0.000 1.048 6020 K CA 1.698 57.950 56.287 -0.059 0.000 0.929 6020 K CB -0.239 32.233 32.500 -0.047 0.000 0.713 6020 K HN 0.382 nan 8.250 nan 0.000 0.439 6021 I N 0.637 121.140 120.570 -0.112 0.000 2.127 6021 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 6021 I C 2.325 178.300 176.117 -0.235 0.000 1.075 6021 I CA 1.410 62.597 61.300 -0.189 0.000 1.334 6021 I CB -0.190 37.716 38.000 -0.157 0.000 1.040 6021 I HN 0.116 nan 8.210 nan 0.000 0.405 6022 R N 0.093 120.493 120.500 -0.166 0.000 2.293 6022 R HA -0.183 4.157 4.340 -0.000 0.000 0.219 6022 R C 2.044 178.270 176.300 -0.125 0.000 1.091 6022 R CA 0.967 56.979 56.100 -0.147 0.000 1.004 6022 R CB -0.168 30.072 30.300 -0.101 0.000 0.865 6022 R HN 0.484 nan 8.270 nan 0.000 0.469 6023 E N -0.038 120.092 120.200 -0.117 0.000 2.166 6023 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 6023 E C 1.512 178.049 176.600 -0.106 0.000 0.967 6023 E CA 0.301 56.646 56.400 -0.091 0.000 0.840 6023 E CB 0.341 29.999 29.700 -0.071 0.000 0.795 6023 E HN 0.011 nan 8.360 nan 0.000 0.470 6024 R N 0.097 120.514 120.500 -0.137 0.000 2.148 6024 R HA 0.039 4.379 4.340 -0.000 0.000 0.223 6024 R C 2.159 178.365 176.300 -0.156 0.000 1.088 6024 R CA 1.122 57.141 56.100 -0.135 0.000 0.985 6024 R CB -0.909 29.310 30.300 -0.135 0.000 0.880 6024 R HN 0.115 nan 8.270 nan 0.000 0.451 6025 T N 1.920 116.333 114.554 -0.235 0.000 2.607 6025 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 6025 T C -1.045 173.664 174.700 0.015 0.000 1.049 6025 T CA 1.970 63.939 62.100 -0.217 0.000 1.162 6025 T CB -0.860 67.785 68.868 -0.370 0.000 0.863 6025 T HN 0.273 nan 8.240 nan 0.000 0.424 6026 P HA -0.024 nan 4.420 nan 0.000 0.221 6026 P C 0.929 178.175 177.300 -0.089 0.000 1.150 6026 P CA 1.149 64.224 63.100 -0.042 0.000 0.800 6026 P CB -0.043 31.629 31.700 -0.046 0.000 0.787 6027 E N -0.397 119.751 120.200 -0.086 0.000 2.358 6027 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 6027 E C 1.665 178.187 176.600 -0.129 0.000 1.010 6027 E CA 0.355 56.691 56.400 -0.106 0.000 0.856 6027 E CB -0.314 29.331 29.700 -0.092 0.000 0.795 6027 E HN 0.274 nan 8.360 nan 0.000 0.504 6028 D N 0.361 120.708 120.400 -0.088 0.000 2.339 6028 D HA 0.012 4.652 4.640 -0.000 0.000 0.217 6028 D C 0.059 176.270 176.300 -0.148 0.000 1.050 6028 D CA -0.014 53.946 54.000 -0.066 0.000 0.856 6028 D CB 0.392 41.228 40.800 0.059 0.000 0.922 6028 D HN 0.112 nan 8.370 nan 0.000 0.518 6029 I N 1.616 122.016 120.570 -0.284 0.000 2.352 6029 I HA 0.047 4.216 4.170 -0.000 0.000 0.290 6029 I C -0.181 175.768 176.117 -0.280 0.000 1.036 6029 I CA -0.505 60.511 61.300 -0.474 0.000 1.336 6029 I CB 0.684 38.387 38.000 -0.494 0.000 1.407 6029 I HN -0.172 nan 8.210 nan 0.000 0.497 6030 F N 7.020 126.744 119.950 -0.377 0.000 2.421 6030 F HA 0.230 4.757 4.527 -0.000 0.000 0.358 6030 F C 0.789 176.535 175.800 -0.089 0.000 1.115 6030 F CA -0.444 57.399 58.000 -0.263 0.000 1.160 6030 F CB 0.475 39.155 39.000 -0.533 0.000 1.123 6030 F HN 0.305 nan 8.300 nan 0.000 0.508 6031 K N 6.602 127.159 120.400 0.262 0.000 3.016 6031 K HA 0.205 4.525 4.320 -0.000 0.000 0.226 6031 K C -2.329 174.509 176.600 0.397 0.000 1.245 6031 K CA -1.571 54.925 56.287 0.349 0.000 1.174 6031 K CB 0.124 32.631 32.500 0.012 0.000 1.572 6031 K HN 0.315 nan 8.250 nan 0.000 0.462 6032 P HA -0.071 nan 4.420 nan 0.000 0.257 6032 P C 0.431 177.814 177.300 0.137 0.000 1.189 6032 P CA 0.493 63.714 63.100 0.201 0.000 0.780 6032 P CB 0.603 32.378 31.700 0.125 0.000 0.772 6033 T N -0.177 114.452 114.554 0.125 0.000 3.169 6033 T HA -0.040 4.310 4.350 -0.000 0.000 0.250 6033 T C 1.114 175.838 174.700 0.040 0.000 1.111 6033 T CA 0.209 62.362 62.100 0.089 0.000 1.010 6033 T CB -0.794 68.127 68.868 0.089 0.000 0.984 6033 T HN 0.320 nan 8.240 nan 0.000 0.537 6034 N N 1.801 120.518 118.700 0.028 0.000 2.124 6034 N HA 0.324 5.064 4.740 -0.000 0.000 0.188 6034 N C 1.674 177.167 175.510 -0.027 0.000 1.045 6034 N CA 1.231 54.281 53.050 -0.000 0.000 0.846 6034 N CB -0.639 37.845 38.487 -0.006 0.000 1.020 6034 N HN 0.424 nan 8.380 nan 0.000 0.432 6035 G N -0.971 107.800 108.800 -0.048 0.000 3.851 6035 G HA2 0.120 4.080 3.960 -0.000 0.000 0.194 6035 G HA3 0.120 4.080 3.960 -0.000 0.000 0.194 6035 G C -0.191 174.652 174.900 -0.095 0.000 1.402 6035 G CA -0.112 44.945 45.100 -0.072 0.000 0.901 6035 G HN 0.281 nan 8.290 nan 0.000 0.685 6036 I N 3.451 123.949 120.570 -0.120 0.000 2.836 6036 I HA 0.388 4.558 4.170 -0.000 0.000 0.285 6036 I C 1.054 177.134 176.117 -0.062 0.000 1.174 6036 I CA -1.384 59.821 61.300 -0.159 0.000 1.405 6036 I CB 0.597 38.431 38.000 -0.277 0.000 1.385 6036 I HN 0.395 nan 8.210 nan 0.000 0.594 6037 I N 4.429 125.009 120.570 0.016 0.000 2.938 6037 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 6037 I C -0.051 176.205 176.117 0.232 0.000 1.182 6037 I CA -0.362 60.992 61.300 0.089 0.000 1.388 6037 I CB 0.201 38.370 38.000 0.281 0.000 1.390 6037 I HN 0.432 nan 8.210 nan 0.000 0.600 6038 H N 4.697 123.928 119.070 0.269 0.000 2.815 6038 H HA 0.306 4.862 4.556 -0.000 0.000 0.350 6038 H C -0.205 175.303 175.328 0.299 0.000 1.080 6038 H CA 0.279 56.462 56.048 0.225 0.000 1.433 6038 H CB 0.208 30.012 29.762 0.070 0.000 1.432 6038 H HN 0.741 nan 8.280 nan 0.000 0.592 6039 H N 0.372 119.575 119.070 0.223 0.000 3.017 6039 H HA 0.269 4.825 4.556 -0.000 0.000 0.346 6039 H C -1.287 174.078 175.328 0.061 0.000 1.286 6039 H CA -0.930 55.202 56.048 0.140 0.000 1.120 6039 H CB 0.289 30.129 29.762 0.131 0.000 1.860 6039 H HN 0.246 nan 8.280 nan 0.000 0.542 6040 F N 1.060 121.138 119.950 0.214 0.000 2.382 6040 F HA 0.269 4.795 4.527 -0.000 0.000 0.331 6040 F C 1.761 177.681 175.800 0.200 0.000 1.121 6040 F CA -0.305 57.810 58.000 0.192 0.000 1.183 6040 F CB 1.234 40.410 39.000 0.293 0.000 1.207 6040 F HN 0.522 nan 8.300 nan 0.000 0.555 6041 K N -0.210 120.301 120.400 0.185 0.000 2.202 6041 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 6041 K C 0.775 177.320 176.600 -0.091 0.000 1.051 6041 K CA 1.166 57.528 56.287 0.125 0.000 0.977 6041 K CB 0.164 32.664 32.500 -0.000 0.000 0.792 6041 K HN 0.705 nan 8.250 nan 0.000 0.469 6042 T N -0.961 113.431 114.554 -0.269 0.000 3.172 6042 T HA 0.170 4.519 4.350 -0.000 0.000 0.261 6042 T C 1.340 175.602 174.700 -0.731 0.000 0.854 6042 T CA -0.341 61.459 62.100 -0.500 0.000 0.848 6042 T CB 0.099 68.789 68.868 -0.296 0.000 1.267 6042 T HN -0.077 nan 8.240 nan 0.000 0.581 6043 M N 1.871 121.191 119.600 -0.468 0.000 2.460 6043 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 6043 M C 1.968 178.161 176.300 -0.178 0.000 1.071 6043 M CA 1.399 56.462 55.300 -0.395 0.000 1.096 6043 M CB -0.377 32.246 32.600 0.038 0.000 1.408 6043 M HN 0.490 nan 8.290 nan 0.000 0.463 6044 H N -0.798 118.167 119.070 -0.176 0.000 2.545 6044 H HA 0.018 4.574 4.556 -0.000 0.000 0.282 6044 H C 1.397 176.423 175.328 -0.505 0.000 1.020 6044 H CA 0.839 56.694 56.048 -0.321 0.000 1.243 6044 H CB -0.569 29.078 29.762 -0.192 0.000 1.377 6044 H HN 0.317 nan 8.280 nan 0.000 0.581 6045 R N -0.172 119.957 120.500 -0.617 0.000 2.310 6045 R HA 0.114 4.454 4.340 -0.000 0.000 0.202 6045 R C -0.311 175.656 176.300 -0.556 0.000 0.933 6045 R CA -0.135 55.385 56.100 -0.967 0.000 1.054 6045 R CB 0.087 29.957 30.300 -0.717 0.000 0.985 6045 R HN 0.383 nan 8.270 nan 0.000 0.489 6046 Y N 0.506 120.652 120.300 -0.257 0.000 2.304 6046 Y HA 0.155 4.705 4.550 -0.000 0.000 0.327 6046 Y C 0.602 176.418 175.900 -0.141 0.000 1.209 6046 Y CA -0.282 57.750 58.100 -0.112 0.000 1.299 6046 Y CB 1.494 40.015 38.460 0.101 0.000 1.249 6046 Y HN -0.175 nan 8.280 nan 0.000 0.519 6047 T N 4.272 118.883 114.554 0.095 0.000 2.993 6047 T HA 0.416 4.766 4.350 -0.000 0.000 0.312 6047 T C -1.350 173.312 174.700 -0.063 0.000 1.115 6047 T CA -0.755 61.348 62.100 0.005 0.000 1.027 6047 T CB 1.187 70.086 68.868 0.052 0.000 1.116 6047 T HN 0.470 nan 8.240 nan 0.000 0.464 6048 L N 0.840 121.965 121.223 -0.163 0.000 2.333 6048 L HA 0.946 5.286 4.340 -0.000 0.000 0.269 6048 L C -0.511 176.229 176.870 -0.217 0.000 1.010 6048 L CA -0.428 54.319 54.840 -0.155 0.000 0.818 6048 L CB 1.526 43.509 42.059 -0.126 0.000 1.306 6048 L HN 0.555 nan 8.230 nan 0.000 0.430 6049 E N 2.176 122.287 120.200 -0.148 0.000 2.317 6049 E HA 0.439 4.789 4.350 -0.000 0.000 0.270 6049 E C -1.089 175.432 176.600 -0.131 0.000 0.885 6049 E CA -1.093 55.215 56.400 -0.153 0.000 0.760 6049 E CB 2.176 31.812 29.700 -0.105 0.000 1.227 6049 E HN 0.572 nan 8.360 nan 0.000 0.434 6050 M N 2.406 121.895 119.600 -0.184 0.000 2.241 6050 M HA 0.242 4.722 4.480 -0.000 0.000 0.335 6050 M C -0.378 175.794 176.300 -0.213 0.000 1.122 6050 M CA -0.188 54.947 55.300 -0.276 0.000 1.164 6050 M CB 0.020 32.397 32.600 -0.372 0.000 1.459 6050 M HN 0.471 nan 8.290 nan 0.000 0.461 6051 F N 0.737 120.675 119.950 -0.020 0.000 2.378 6051 F HA 0.539 5.065 4.527 -0.000 0.000 0.319 6051 F C 0.346 176.203 175.800 0.094 0.000 1.155 6051 F CA -1.134 56.864 58.000 -0.003 0.000 1.157 6051 F CB 0.162 39.173 39.000 0.020 0.000 1.252 6051 F HN 0.545 nan 8.300 nan 0.000 0.550 6052 R N 0.816 121.515 120.500 0.332 0.000 2.267 6052 R HA 0.204 4.544 4.340 -0.000 0.000 0.319 6052 R C 0.531 177.173 176.300 0.570 0.000 1.067 6052 R CA 0.466 56.745 56.100 0.297 0.000 0.936 6052 R CB 0.679 31.099 30.300 0.199 0.000 1.006 6052 R HN 1.042 nan 8.270 nan 0.000 0.452 6053 T N -0.462 114.364 114.554 0.452 0.000 3.040 6053 T HA 0.026 4.376 4.350 -0.000 0.000 0.250 6053 T C 1.271 176.271 174.700 0.501 0.000 1.058 6053 T CA -0.116 62.320 62.100 0.560 0.000 0.988 6053 T CB -0.003 69.029 68.868 0.274 0.000 0.993 6053 T HN 0.607 nan 8.240 nan 0.000 0.519 6054 C N 2.579 122.073 119.300 0.324 0.000 2.526 6054 C HA 0.190 4.650 4.460 -0.000 0.000 0.286 6054 C C 1.937 177.024 174.990 0.163 0.000 1.416 6054 C CA -0.014 59.131 59.018 0.213 0.000 1.671 6054 C CB -1.559 26.267 27.740 0.142 0.000 1.650 6054 C HN 0.563 nan 8.230 nan 0.000 0.590 6055 Q N -0.926 118.983 119.800 0.183 0.000 2.247 6055 Q HA 0.278 4.618 4.340 -0.000 0.000 0.211 6055 Q C -0.296 175.494 176.000 -0.351 0.000 0.861 6055 Q CA 0.401 56.149 55.803 -0.092 0.000 0.949 6055 Q CB 0.463 29.084 28.738 -0.195 0.000 1.115 6055 Q HN 0.567 nan 8.270 nan 0.000 0.507 6056 F N -0.131 119.774 119.950 -0.074 0.000 2.556 6056 F HA 0.309 4.836 4.527 -0.000 0.000 0.327 6056 F C 0.630 176.416 175.800 -0.023 0.000 1.059 6056 F CA -1.630 56.236 58.000 -0.224 0.000 0.953 6056 F CB 0.581 39.431 39.000 -0.250 0.000 1.227 6056 F HN -0.149 nan 8.300 nan 0.000 0.478 6057 C N 3.795 123.255 119.300 0.266 0.000 2.665 6057 C HA 0.093 4.553 4.460 -0.000 0.000 0.416 6057 C C -1.128 174.006 174.990 0.241 0.000 1.305 6057 C CA -0.924 58.272 59.018 0.296 0.000 1.903 6057 C CB 0.425 28.431 27.740 0.443 0.000 2.704 6057 C HN 0.676 nan 8.230 nan 0.000 0.629 6058 P HA -0.146 nan 4.420 nan 0.000 0.214 6058 P C 1.436 178.790 177.300 0.091 0.000 1.163 6058 P CA 2.032 65.203 63.100 0.117 0.000 0.889 6058 P CB -0.041 31.728 31.700 0.115 0.000 0.790 6059 Q N -1.846 118.060 119.800 0.176 0.000 2.197 6059 Q HA -0.183 4.157 4.340 -0.000 0.000 0.207 6059 Q C 1.970 177.966 176.000 -0.007 0.000 0.984 6059 Q CA 1.565 57.479 55.803 0.186 0.000 0.869 6059 Q CB -1.227 27.772 28.738 0.435 0.000 0.906 6059 Q HN 0.309 nan 8.270 nan 0.000 0.426 6060 F N 0.341 120.142 119.950 -0.248 0.000 2.219 6060 F HA 0.039 4.566 4.527 -0.000 0.000 0.294 6060 F C 1.975 177.507 175.800 -0.446 0.000 1.086 6060 F CA 0.652 58.294 58.000 -0.596 0.000 1.330 6060 F CB 0.159 38.750 39.000 -0.683 0.000 1.047 6060 F HN -0.153 nan 8.300 nan 0.000 0.495 6061 R N 0.242 120.607 120.500 -0.226 0.000 2.117 6061 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 6061 R C 2.264 178.121 176.300 -0.738 0.000 1.143 6061 R CA 1.676 57.519 56.100 -0.428 0.000 0.968 6061 R CB -0.577 29.598 30.300 -0.208 0.000 0.863 6061 R HN 0.327 nan 8.270 nan 0.000 0.444 6062 E N 1.141 121.069 120.200 -0.453 0.000 2.150 6062 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 6062 E C 1.894 178.290 176.600 -0.340 0.000 0.985 6062 E CA 0.968 57.169 56.400 -0.331 0.000 0.814 6062 E CB 0.039 29.657 29.700 -0.138 0.000 0.752 6062 E HN 0.352 nan 8.360 nan 0.000 0.466 6063 I N 0.922 121.206 120.570 -0.476 0.000 2.208 6063 I HA -0.307 3.862 4.170 -0.000 0.000 0.245 6063 I C 2.463 178.324 176.117 -0.427 0.000 1.097 6063 I CA 0.965 61.977 61.300 -0.481 0.000 1.363 6063 I CB -0.307 37.231 38.000 -0.771 0.000 1.051 6063 I HN 0.104 nan 8.210 nan 0.000 0.413 6064 I N 0.108 120.345 120.570 -0.554 0.000 2.133 6064 I HA -0.299 3.871 4.170 -0.000 0.000 0.238 6064 I C 2.526 178.577 176.117 -0.110 0.000 1.074 6064 I CA 1.718 62.830 61.300 -0.313 0.000 1.342 6064 I CB -1.005 36.791 38.000 -0.338 0.000 1.053 6064 I HN 0.250 nan 8.210 nan 0.000 0.404 6065 H N 0.815 119.774 119.070 -0.184 0.000 2.353 6065 H HA -0.240 4.316 4.556 -0.000 0.000 0.298 6065 H C 2.289 177.550 175.328 -0.112 0.000 1.103 6065 H CA 1.586 57.550 56.048 -0.139 0.000 1.293 6065 H CB -0.088 29.607 29.762 -0.111 0.000 1.372 6065 H HN 0.264 nan 8.280 nan 0.000 0.501 6066 K N 1.097 121.502 120.400 0.008 0.000 2.147 6066 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 6066 K C 2.306 178.890 176.600 -0.026 0.000 1.049 6066 K CA 1.014 57.291 56.287 -0.017 0.000 0.936 6066 K CB -0.003 32.471 32.500 -0.043 0.000 0.722 6066 K HN 0.241 nan 8.250 nan 0.000 0.446 6067 A N 0.852 123.650 122.820 -0.038 0.000 1.855 6067 A HA -0.001 4.319 4.320 -0.000 0.000 0.213 6067 A C 2.036 179.603 177.584 -0.027 0.000 1.195 6067 A CA 1.132 53.158 52.037 -0.019 0.000 0.610 6067 A CB -0.445 18.562 19.000 0.012 0.000 0.837 6067 A HN 0.289 nan 8.150 nan 0.000 0.444 6068 L N -0.542 120.645 121.223 -0.060 0.000 2.249 6068 L HA 0.215 4.555 4.340 -0.000 0.000 0.207 6068 L C 0.325 177.138 176.870 -0.095 0.000 1.090 6068 L CA 0.094 54.863 54.840 -0.119 0.000 0.802 6068 L CB -0.315 41.597 42.059 -0.245 0.000 0.947 6068 L HN 0.224 nan 8.230 nan 0.000 0.453 6069 I N 0.319 120.842 120.570 -0.078 0.000 2.440 6069 I HA 0.048 4.218 4.170 -0.000 0.000 0.294 6069 I C 0.088 176.186 176.117 -0.033 0.000 0.995 6069 I CA -0.333 60.924 61.300 -0.072 0.000 1.306 6069 I CB 1.020 38.955 38.000 -0.109 0.000 1.407 6069 I HN -0.064 nan 8.210 nan 0.000 0.501 6070 D N 6.226 126.617 120.400 -0.015 0.000 2.470 6070 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 6070 D C 1.180 177.479 176.300 -0.000 0.000 1.196 6070 D CA -0.013 53.996 54.000 0.014 0.000 0.979 6070 D CB 0.501 41.333 40.800 0.053 0.000 1.059 6070 D HN 0.429 nan 8.370 nan 0.000 0.515 6071 R N 2.230 122.726 120.500 -0.007 0.000 2.120 6071 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 6071 R C 1.615 177.914 176.300 -0.002 0.000 1.123 6071 R CA 0.659 56.753 56.100 -0.010 0.000 0.975 6071 R CB 0.069 30.366 30.300 -0.005 0.000 0.866 6071 R HN 0.439 nan 8.270 nan 0.000 0.446 6072 N N 0.927 119.629 118.700 0.003 0.000 2.039 6072 N HA -0.152 4.588 4.740 -0.000 0.000 0.193 6072 N C 1.770 177.284 175.510 0.007 0.000 1.044 6072 N CA 1.381 54.434 53.050 0.003 0.000 0.847 6072 N CB -0.159 38.328 38.487 -0.000 0.000 1.030 6072 N HN 0.063 nan 8.380 nan 0.000 0.422 6073 I N 1.839 122.420 120.570 0.017 0.000 2.394 6073 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 6073 I C 2.516 178.642 176.117 0.015 0.000 1.136 6073 I CA 0.830 62.140 61.300 0.018 0.000 1.425 6073 I CB -0.625 37.397 38.000 0.037 0.000 1.079 6073 I HN 0.101 nan 8.210 nan 0.000 0.425 6074 Q N 0.564 120.369 119.800 0.009 0.000 2.002 6074 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 6074 Q C 2.469 178.475 176.000 0.009 0.000 0.988 6074 Q CA 2.190 57.993 55.803 0.002 0.000 0.843 6074 Q CB -0.546 28.178 28.738 -0.023 0.000 0.908 6074 Q HN 0.533 nan 8.270 nan 0.000 0.420 6075 A N 0.176 122.999 122.820 0.006 0.000 1.865 6075 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 6075 A C 2.372 179.968 177.584 0.020 0.000 1.191 6075 A CA 2.357 54.401 52.037 0.012 0.000 0.623 6075 A CB -1.135 17.870 19.000 0.009 0.000 0.826 6075 A HN 0.463 nan 8.150 nan 0.000 0.444 6076 T N 0.532 115.095 114.554 0.015 0.000 2.607 6076 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 6076 T C 1.805 176.521 174.700 0.027 0.000 1.049 6076 T CA 1.723 63.832 62.100 0.015 0.000 1.162 6076 T CB -0.466 68.403 68.868 0.001 0.000 0.863 6076 T HN 0.357 nan 8.240 nan 0.000 0.424 6077 L N 0.398 121.641 121.223 0.034 0.000 2.201 6077 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 6077 L C 2.707 179.624 176.870 0.078 0.000 1.105 6077 L CA 1.170 56.043 54.840 0.056 0.000 0.775 6077 L CB -0.439 41.657 42.059 0.063 0.000 0.913 6077 L HN 0.353 nan 8.230 nan 0.000 0.440 6078 E N -0.575 119.665 120.200 0.067 0.000 2.112 6078 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 6078 E C 2.307 178.956 176.600 0.082 0.000 0.979 6078 E CA 0.936 57.386 56.400 0.084 0.000 0.814 6078 E CB 0.118 29.852 29.700 0.056 0.000 0.762 6078 E HN 0.316 nan 8.360 nan 0.000 0.460 6079 S N 1.411 117.146 115.700 0.058 0.000 2.400 6079 S HA -0.180 4.289 4.470 -0.000 0.000 0.232 6079 S C 1.620 176.252 174.600 0.054 0.000 1.025 6079 S CA 1.216 59.446 58.200 0.051 0.000 0.993 6079 S CB -0.156 63.065 63.200 0.036 0.000 0.808 6079 S HN 0.360 nan 8.310 nan 0.000 0.478 6080 Q N 0.622 120.454 119.800 0.054 0.000 2.212 6080 Q HA 0.325 4.665 4.340 -0.000 0.000 0.213 6080 Q C -0.363 175.668 176.000 0.051 0.000 0.874 6080 Q CA -0.188 55.643 55.803 0.046 0.000 0.965 6080 Q CB -0.392 28.368 28.738 0.036 0.000 1.074 6080 Q HN 0.238 nan 8.270 nan 0.000 0.473 6081 K N 0.100 120.551 120.400 0.086 0.000 3.016 6081 K HA -0.256 4.064 4.320 -0.000 0.000 0.262 6081 K C 0.579 177.223 176.600 0.073 0.000 1.043 6081 K CA 1.050 57.412 56.287 0.125 0.000 0.761 6081 K CB -0.883 31.667 32.500 0.083 0.000 1.230 6081 K HN 0.095 nan 8.250 nan 0.000 0.485 6082 K N 0.518 120.985 120.400 0.111 0.000 2.361 6082 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 6082 K C -0.036 176.733 176.600 0.282 0.000 1.032 6082 K CA 0.183 56.537 56.287 0.111 0.000 1.048 6082 K CB 0.444 32.992 32.500 0.080 0.000 0.842 6082 K HN 0.265 nan 8.250 nan 0.000 0.526 6083 L N 0.237 121.644 121.223 0.308 0.000 2.401 6083 L HA 0.404 4.744 4.340 -0.000 0.000 0.266 6083 L C -0.988 176.014 176.870 0.220 0.000 0.991 6083 L CA -0.104 54.890 54.840 0.256 0.000 0.818 6083 L CB 1.689 43.830 42.059 0.136 0.000 1.321 6083 L HN 0.186 nan 8.230 nan 0.000 0.413 6084 N N 3.411 122.153 118.700 0.071 0.000 2.666 6084 N HA -0.254 4.486 4.740 -0.000 0.000 0.248 6084 N C 0.685 176.147 175.510 -0.079 0.000 1.118 6084 N CA 1.501 54.510 53.050 -0.069 0.000 0.722 6084 N CB -0.616 37.853 38.487 -0.031 0.000 1.050 6084 N HN 0.940 nan 8.380 nan 0.000 0.550 6085 W N -1.710 119.594 121.300 0.006 0.000 2.476 6085 W HA 0.187 4.847 4.660 -0.000 0.000 0.281 6085 W C 0.766 177.279 176.519 -0.011 0.000 1.230 6085 W CA -0.162 57.186 57.345 0.005 0.000 1.287 6085 W CB -0.949 28.526 29.460 0.025 0.000 1.108 6085 W HN 0.147 nan 8.180 nan 0.000 0.567 6086 C N 4.500 123.012 119.300 -1.314 0.000 2.627 6086 C HA 0.192 4.652 4.460 -0.000 0.000 0.404 6086 C C 1.981 176.683 174.990 -0.480 0.000 1.340 6086 C CA -0.035 58.314 59.018 -1.115 0.000 1.758 6086 C CB -0.165 26.758 27.740 -1.361 0.000 2.501 6086 C HN 0.258 nan 8.230 nan 0.000 0.588 6087 R N 2.367 122.695 120.500 -0.286 0.000 2.297 6087 R HA -0.000 4.339 4.340 -0.000 0.000 0.197 6087 R C 1.385 177.598 176.300 -0.146 0.000 0.943 6087 R CA 0.573 56.574 56.100 -0.164 0.000 1.038 6087 R CB 0.216 30.462 30.300 -0.090 0.000 0.957 6087 R HN 0.787 nan 8.270 nan 0.000 0.484 6088 E N 0.682 120.774 120.200 -0.180 0.000 2.472 6088 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 6088 E C 0.982 177.502 176.600 -0.134 0.000 1.033 6088 E CA 0.190 56.510 56.400 -0.133 0.000 0.886 6088 E CB 0.258 29.887 29.700 -0.119 0.000 0.944 6088 E HN 0.092 nan 8.360 nan 0.000 0.492 6089 V N -1.547 118.261 119.914 -0.177 0.000 3.019 6089 V HA 0.538 4.658 4.120 -0.000 0.000 0.317 6089 V C 0.179 176.199 176.094 -0.123 0.000 1.094 6089 V CA -1.383 60.830 62.300 -0.145 0.000 1.000 6089 V CB 1.963 33.682 31.823 -0.174 0.000 1.060 6089 V HN -0.146 nan 8.190 nan 0.000 0.443 6090 R N 1.001 121.450 120.500 -0.084 0.000 2.784 6090 R HA 0.275 4.615 4.340 -0.000 0.000 0.266 6090 R C 0.019 176.273 176.300 -0.077 0.000 1.044 6090 R CA -0.291 55.769 56.100 -0.067 0.000 1.151 6090 R CB 0.440 30.714 30.300 -0.044 0.000 1.037 6090 R HN 0.687 nan 8.270 nan 0.000 0.478 6091 K N 1.995 122.355 120.400 -0.068 0.000 2.218 6091 K HA 0.254 4.574 4.320 -0.000 0.000 0.276 6091 K C -0.275 176.291 176.600 -0.058 0.000 1.022 6091 K CA -0.190 56.056 56.287 -0.068 0.000 0.946 6091 K CB 0.705 33.165 32.500 -0.067 0.000 1.000 6091 K HN 0.316 nan 8.250 nan 0.000 0.468 6092 L N 2.483 123.679 121.223 -0.044 0.000 2.331 6092 L HA 0.531 4.870 4.340 -0.000 0.000 0.275 6092 L C -0.457 176.386 176.870 -0.045 0.000 1.022 6092 L CA -1.040 53.784 54.840 -0.026 0.000 0.812 6092 L CB 1.811 43.882 42.059 0.021 0.000 1.257 6092 L HN 0.283 nan 8.230 nan 0.000 0.435 6093 V N 1.833 121.708 119.914 -0.065 0.000 2.735 6093 V HA 0.731 4.851 4.120 -0.000 0.000 0.310 6093 V C -0.342 175.713 176.094 -0.064 0.000 1.061 6093 V CA -0.467 61.777 62.300 -0.093 0.000 0.913 6093 V CB 2.050 33.776 31.823 -0.162 0.000 1.005 6093 V HN 0.841 nan 8.190 nan 0.000 0.428 6094 A N 7.090 129.879 122.820 -0.051 0.000 2.269 6094 A HA 0.726 5.046 4.320 -0.000 0.000 0.302 6094 A C -0.579 176.984 177.584 -0.034 0.000 1.266 6094 A CA -0.394 51.632 52.037 -0.017 0.000 0.894 6094 A CB 0.079 19.083 19.000 0.007 0.000 1.147 6094 A HN 0.824 nan 8.150 nan 0.000 0.537 6095 L N 2.756 123.964 121.223 -0.025 0.000 2.326 6095 L HA 0.267 4.607 4.340 -0.000 0.000 0.278 6095 L C 0.511 177.393 176.870 0.020 0.000 1.092 6095 L CA -0.527 54.294 54.840 -0.032 0.000 0.810 6095 L CB 1.035 43.069 42.059 -0.043 0.000 1.153 6095 L HN 0.672 nan 8.230 nan 0.000 0.439 6096 K N 1.518 121.930 120.400 0.021 0.000 2.485 6096 K HA 0.193 4.513 4.320 -0.000 0.000 0.277 6096 K C 0.101 176.766 176.600 0.107 0.000 0.990 6096 K CA 0.203 56.532 56.287 0.071 0.000 0.994 6096 K CB 0.500 33.025 32.500 0.041 0.000 0.906 6096 K HN 0.684 nan 8.250 nan 0.000 0.488 6097 T N 0.136 114.806 114.554 0.193 0.000 2.952 6097 T HA 0.188 4.538 4.350 -0.000 0.000 0.305 6097 T C -0.620 174.250 174.700 0.282 0.000 1.064 6097 T CA -1.052 61.164 62.100 0.194 0.000 1.008 6097 T CB 0.647 69.607 68.868 0.152 0.000 1.078 6097 T HN 0.590 nan 8.240 nan 0.000 0.459 6098 N N 1.849 120.634 118.700 0.141 0.000 2.411 6098 N HA 0.248 4.988 4.740 -0.000 0.000 0.265 6098 N C 0.824 176.528 175.510 0.323 0.000 1.266 6098 N CA -0.137 52.991 53.050 0.129 0.000 0.889 6098 N CB 0.409 38.860 38.487 -0.059 0.000 1.069 6098 N HN 0.815 nan 8.380 nan 0.000 0.476 6099 G N 1.553 110.498 108.800 0.242 0.000 3.717 6099 G HA2 0.023 3.982 3.960 -0.000 0.000 0.258 6099 G HA3 0.023 3.982 3.960 -0.000 0.000 0.258 6099 G C 0.067 175.100 174.900 0.222 0.000 1.088 6099 G CA -0.524 44.734 45.100 0.263 0.000 1.737 6099 G HN 0.668 nan 8.290 nan 0.000 0.648 6100 D N -0.902 119.679 120.400 0.301 0.000 2.336 6100 D HA 0.265 4.905 4.640 -0.000 0.000 0.228 6100 D C 1.679 178.225 176.300 0.411 0.000 1.120 6100 D CA 0.091 54.288 54.000 0.329 0.000 0.839 6100 D CB 0.155 41.213 40.800 0.430 0.000 0.932 6100 D HN 0.364 nan 8.370 nan 0.000 0.509 6101 G N 0.654 109.639 108.800 0.308 0.000 2.195 6101 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.246 6101 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.246 6101 G C 0.749 175.720 174.900 0.119 0.000 0.984 6101 G CA 0.082 45.331 45.100 0.247 0.000 0.633 6101 G HN 0.440 nan 8.290 nan 0.000 0.525 6102 N N 0.030 118.740 118.700 0.018 0.000 2.282 6102 N HA 0.221 4.961 4.740 -0.000 0.000 0.240 6102 N C 1.969 177.301 175.510 -0.296 0.000 1.182 6102 N CA 0.799 53.638 53.050 -0.352 0.000 0.874 6102 N CB -0.552 37.392 38.487 -0.904 0.000 1.126 6102 N HN 0.572 nan 8.380 nan 0.000 0.516 6103 C N -1.170 118.196 119.300 0.110 0.000 2.419 6103 C HA 0.010 4.470 4.460 -0.000 0.000 0.281 6103 C C 2.374 177.403 174.990 0.066 0.000 1.336 6103 C CA -0.174 58.981 59.018 0.229 0.000 1.770 6103 C CB -1.507 26.436 27.740 0.338 0.000 1.929 6103 C HN 0.423 nan 8.230 nan 0.000 0.509 6104 L N 0.322 121.483 121.223 -0.104 0.000 2.056 6104 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 6104 L C 2.519 179.161 176.870 -0.380 0.000 1.078 6104 L CA 2.009 56.529 54.840 -0.534 0.000 0.749 6104 L CB -0.700 40.851 42.059 -0.847 0.000 0.901 6104 L HN 0.146 nan 8.230 nan 0.000 0.433 6105 M N -1.182 118.214 119.600 -0.340 0.000 2.200 6105 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 6105 M C 2.265 178.452 176.300 -0.189 0.000 1.066 6105 M CA 1.416 56.538 55.300 -0.296 0.000 1.127 6105 M CB -0.747 31.632 32.600 -0.367 0.000 1.379 6105 M HN 0.296 nan 8.290 nan 0.000 0.420 6106 H N -0.809 118.216 119.070 -0.075 0.000 2.357 6106 H HA 0.101 4.657 4.556 -0.000 0.000 0.301 6106 H C 2.026 177.346 175.328 -0.015 0.000 1.082 6106 H CA 1.674 57.709 56.048 -0.022 0.000 1.342 6106 H CB -0.787 28.988 29.762 0.021 0.000 1.389 6106 H HN 0.373 nan 8.280 nan 0.000 0.511 6107 A N 0.700 123.570 122.820 0.083 0.000 1.858 6107 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 6107 A C 2.646 180.227 177.584 -0.004 0.000 1.190 6107 A CA 2.404 54.467 52.037 0.044 0.000 0.617 6107 A CB -1.024 17.996 19.000 0.033 0.000 0.827 6107 A HN 0.436 nan 8.150 nan 0.000 0.443 6108 T N -0.536 113.952 114.554 -0.111 0.000 2.708 6108 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 6108 T C 2.256 176.844 174.700 -0.188 0.000 1.037 6108 T CA 1.698 63.691 62.100 -0.177 0.000 1.146 6108 T CB -0.451 68.259 68.868 -0.264 0.000 0.865 6108 T HN 0.446 nan 8.240 nan 0.000 0.435 6109 S N 0.665 116.287 115.700 -0.131 0.000 2.370 6109 S HA -0.167 4.302 4.470 -0.000 0.000 0.226 6109 S C 2.235 176.826 174.600 -0.015 0.000 1.033 6109 S CA 1.292 59.447 58.200 -0.075 0.000 1.011 6109 S CB -0.329 62.958 63.200 0.144 0.000 0.852 6109 S HN 0.525 nan 8.310 nan 0.000 0.457 6110 Q N -1.202 118.622 119.800 0.039 0.000 2.119 6110 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 6110 Q C 1.845 177.841 176.000 -0.007 0.000 0.972 6110 Q CA 1.575 57.410 55.803 0.053 0.000 0.847 6110 Q CB -0.306 28.476 28.738 0.072 0.000 0.903 6110 Q HN 0.706 nan 8.270 nan 0.000 0.433 6111 Y N 1.554 121.779 120.300 -0.125 0.000 2.114 6111 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 6111 Y C 2.154 177.944 175.900 -0.184 0.000 1.165 6111 Y CA 2.249 60.265 58.100 -0.140 0.000 1.148 6111 Y CB 0.021 38.387 38.460 -0.157 0.000 0.972 6111 Y HN 0.127 nan 8.280 nan 0.000 0.504 6112 M N -3.611 115.879 119.600 -0.183 0.000 2.486 6112 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 6112 M C 1.021 177.167 176.300 -0.257 0.000 1.125 6112 M CA 0.763 55.848 55.300 -0.358 0.000 1.144 6112 M CB -0.082 32.048 32.600 -0.783 0.000 1.353 6112 M HN 0.148 nan 8.290 nan 0.000 0.466 6113 W N 0.689 121.983 121.300 -0.010 0.000 2.904 6113 W HA 0.522 5.182 4.660 -0.000 0.000 0.265 6113 W C 1.413 177.907 176.519 -0.043 0.000 1.138 6113 W CA 0.682 58.005 57.345 -0.037 0.000 1.455 6113 W CB -0.104 29.335 29.460 -0.035 0.000 0.924 6113 W HN 0.504 nan 8.180 nan 0.000 0.619 6114 G N 0.580 109.476 108.800 0.160 0.000 2.213 6114 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 6114 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 6114 G C 0.069 175.065 174.900 0.159 0.000 0.991 6114 G CA 0.266 45.438 45.100 0.121 0.000 0.629 6114 G HN 0.303 nan 8.290 nan 0.000 0.517 6115 V N -2.052 117.945 119.914 0.138 0.000 2.850 6115 V HA 0.858 4.978 4.120 -0.000 0.000 0.315 6115 V C 0.251 176.347 176.094 0.004 0.000 1.064 6115 V CA -0.970 61.318 62.300 -0.021 0.000 0.979 6115 V CB 1.740 33.521 31.823 -0.070 0.000 1.039 6115 V HN 0.344 nan 8.190 nan 0.000 0.452 6116 Q N 0.406 120.114 119.800 -0.153 0.000 2.185 6116 Q HA 0.288 4.628 4.340 -0.000 0.000 0.225 6116 Q C -0.646 175.430 176.000 0.127 0.000 0.983 6116 Q CA -0.540 55.287 55.803 0.040 0.000 0.950 6116 Q CB 1.113 29.821 28.738 -0.051 0.000 1.176 6116 Q HN 0.926 nan 8.270 nan 0.000 0.510 6117 D N 0.079 120.717 120.400 0.396 0.000 3.032 6117 D HA 0.045 4.684 4.640 -0.000 0.000 0.241 6117 D C 0.388 176.817 176.300 0.214 0.000 1.196 6117 D CA 0.214 54.327 54.000 0.189 0.000 0.927 6117 D CB -0.041 40.715 40.800 -0.073 0.000 1.129 6117 D HN 0.411 nan 8.370 nan 0.000 0.458 6118 T N -0.637 113.984 114.554 0.111 0.000 2.833 6118 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 6118 T C 0.923 175.667 174.700 0.073 0.000 1.054 6118 T CA 0.911 63.053 62.100 0.071 0.000 1.135 6118 T CB 0.065 68.897 68.868 -0.061 0.000 0.869 6118 T HN 0.260 nan 8.240 nan 0.000 0.466 6119 D N 0.578 121.001 120.400 0.038 0.000 2.328 6119 D HA 0.231 4.871 4.640 -0.000 0.000 0.221 6119 D C 0.945 177.265 176.300 0.034 0.000 1.072 6119 D CA -0.010 54.009 54.000 0.032 0.000 0.850 6119 D CB -0.144 40.659 40.800 0.005 0.000 0.922 6119 D HN 0.291 nan 8.370 nan 0.000 0.516 6120 L N -0.121 121.117 121.223 0.024 0.000 3.843 6120 L HA -0.278 4.062 4.340 -0.000 0.000 0.411 6120 L C 1.425 178.297 176.870 0.003 0.000 1.205 6120 L CA -0.395 54.431 54.840 -0.025 0.000 0.945 6120 L CB -1.769 40.284 42.059 -0.010 0.000 1.929 6120 L HN -0.005 nan 8.230 nan 0.000 0.934 6121 V N -0.564 119.372 119.914 0.038 0.000 2.307 6121 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 6121 V C 2.186 178.352 176.094 0.121 0.000 1.045 6121 V CA 2.412 64.757 62.300 0.075 0.000 1.024 6121 V CB -0.199 31.686 31.823 0.104 0.000 0.651 6121 V HN 0.480 nan 8.190 nan 0.000 0.449 6122 L N -0.400 120.908 121.223 0.142 0.000 2.056 6122 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 6122 L C 2.740 179.637 176.870 0.046 0.000 1.078 6122 L CA 1.401 56.333 54.840 0.155 0.000 0.749 6122 L CB -0.604 41.517 42.059 0.103 0.000 0.901 6122 L HN 0.257 nan 8.230 nan 0.000 0.433 6123 R N 0.980 121.455 120.500 -0.043 0.000 2.127 6123 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 6123 R C 2.060 178.363 176.300 0.005 0.000 1.134 6123 R CA 1.608 57.656 56.100 -0.087 0.000 0.975 6123 R CB -0.241 29.937 30.300 -0.204 0.000 0.865 6123 R HN 0.246 nan 8.270 nan 0.000 0.447 6124 K N -0.805 119.614 120.400 0.032 0.000 2.116 6124 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 6124 K C 1.982 178.644 176.600 0.104 0.000 1.052 6124 K CA 0.970 57.305 56.287 0.081 0.000 0.952 6124 K CB -0.075 32.455 32.500 0.050 0.000 0.729 6124 K HN 0.226 nan 8.250 nan 0.000 0.446 6125 A N 1.531 124.399 122.820 0.079 0.000 1.908 6125 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 6125 A C 2.081 179.748 177.584 0.138 0.000 1.181 6125 A CA 1.233 53.317 52.037 0.077 0.000 0.627 6125 A CB -0.529 18.532 19.000 0.101 0.000 0.818 6125 A HN 0.240 nan 8.150 nan 0.000 0.445 6126 L N -1.764 119.529 121.223 0.118 0.000 1.994 6126 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 6126 L C 2.212 179.164 176.870 0.136 0.000 1.071 6126 L CA 2.328 57.224 54.840 0.094 0.000 0.745 6126 L CB -0.754 41.344 42.059 0.065 0.000 0.892 6126 L HN 0.386 nan 8.230 nan 0.000 0.431 6127 F N 0.151 120.106 119.950 0.009 0.000 2.171 6127 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 6127 F C 2.774 178.603 175.800 0.049 0.000 1.090 6127 F CA 1.488 59.494 58.000 0.009 0.000 1.293 6127 F CB -0.660 38.343 39.000 0.004 0.000 1.013 6127 F HN 0.380 nan 8.300 nan 0.000 0.486 6128 S N -1.657 114.118 115.700 0.124 0.000 2.368 6128 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 6128 S C 2.053 176.768 174.600 0.192 0.000 1.030 6128 S CA 1.697 59.963 58.200 0.110 0.000 0.999 6128 S CB -1.222 62.019 63.200 0.068 0.000 0.844 6128 S HN 0.390 nan 8.310 nan 0.000 0.459 6129 T N 2.883 117.577 114.554 0.233 0.000 2.746 6129 T HA 0.138 4.488 4.350 -0.000 0.000 0.267 6129 T C 1.545 176.243 174.700 -0.004 0.000 1.039 6129 T CA 1.423 63.571 62.100 0.081 0.000 1.142 6129 T CB -0.526 68.389 68.868 0.079 0.000 0.866 6129 T HN 0.361 nan 8.240 nan 0.000 0.444 6130 L N 0.079 121.263 121.223 -0.065 0.000 2.622 6130 L HA 0.111 4.451 4.340 -0.000 0.000 0.233 6130 L C 2.218 179.012 176.870 -0.127 0.000 1.156 6130 L CA 0.795 55.585 54.840 -0.083 0.000 0.866 6130 L CB -0.152 41.794 42.059 -0.189 0.000 0.980 6130 L HN 0.101 nan 8.230 nan 0.000 0.448 6131 K N 0.167 120.454 120.400 -0.189 0.000 2.403 6131 K HA 0.085 4.405 4.320 -0.000 0.000 0.199 6131 K C 0.931 177.491 176.600 -0.067 0.000 1.199 6131 K CA 0.440 56.606 56.287 -0.201 0.000 0.924 6131 K CB 0.664 32.906 32.500 -0.430 0.000 1.137 6131 K HN 0.110 nan 8.250 nan 0.000 0.510 6132 E N 0.156 120.346 120.200 -0.017 0.000 2.585 6132 E HA 0.189 4.539 4.350 -0.000 0.000 0.206 6132 E C -0.831 175.755 176.600 -0.024 0.000 1.007 6132 E CA -0.136 56.278 56.400 0.024 0.000 1.028 6132 E CB 1.432 31.203 29.700 0.118 0.000 1.087 6132 E HN -0.019 nan 8.360 nan 0.000 0.455 6133 T N -0.102 114.434 114.554 -0.030 0.000 2.841 6133 T HA 0.162 4.512 4.350 -0.000 0.000 0.296 6133 T C -1.352 173.365 174.700 0.029 0.000 1.166 6133 T CA -0.836 61.240 62.100 -0.039 0.000 1.007 6133 T CB 1.943 70.765 68.868 -0.076 0.000 1.253 6133 T HN -0.079 nan 8.240 nan 0.000 0.511 6134 D N 1.522 121.935 120.400 0.022 0.000 2.325 6134 D HA 0.311 4.951 4.640 -0.000 0.000 0.251 6134 D C 0.817 177.177 176.300 0.100 0.000 1.196 6134 D CA -0.115 53.898 54.000 0.022 0.000 0.866 6134 D CB 0.760 41.534 40.800 -0.044 0.000 1.101 6134 D HN 0.564 nan 8.370 nan 0.000 0.476 6135 T N 1.023 115.658 114.554 0.135 0.000 3.215 6135 T HA 0.201 4.551 4.350 -0.000 0.000 0.271 6135 T C 1.495 176.207 174.700 0.020 0.000 1.012 6135 T CA -0.522 61.741 62.100 0.271 0.000 0.899 6135 T CB 0.179 69.305 68.868 0.429 0.000 1.089 6135 T HN 0.188 nan 8.240 nan 0.000 0.552 6136 R N 2.027 122.492 120.500 -0.059 0.000 2.081 6136 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 6136 R C 1.848 178.104 176.300 -0.073 0.000 1.131 6136 R CA 1.542 57.574 56.100 -0.113 0.000 0.960 6136 R CB -0.365 29.855 30.300 -0.133 0.000 0.856 6136 R HN 0.620 nan 8.270 nan 0.000 0.436 6137 N N -0.479 118.163 118.700 -0.097 0.000 2.270 6137 N HA -0.093 4.647 4.740 -0.000 0.000 0.181 6137 N C 1.771 177.360 175.510 0.132 0.000 1.016 6137 N CA 0.809 53.838 53.050 -0.034 0.000 0.870 6137 N CB -0.098 38.206 38.487 -0.306 0.000 0.979 6137 N HN 0.144 nan 8.380 nan 0.000 0.431 6138 F N 1.734 121.827 119.950 0.238 0.000 2.098 6138 F HA -0.068 4.459 4.527 -0.000 0.000 0.294 6138 F C 2.649 178.482 175.800 0.055 0.000 1.107 6138 F CA 0.748 58.828 58.000 0.132 0.000 1.234 6138 F CB -0.083 39.008 39.000 0.152 0.000 1.002 6138 F HN -0.120 nan 8.300 nan 0.000 0.472 6139 K N 0.174 120.533 120.400 -0.067 0.000 2.063 6139 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 6139 K C 2.137 178.849 176.600 0.186 0.000 1.048 6139 K CA 1.615 57.718 56.287 -0.306 0.000 0.928 6139 K CB -0.463 31.581 32.500 -0.760 0.000 0.713 6139 K HN 0.185 nan 8.250 nan 0.000 0.442 6140 F N 2.116 122.044 119.950 -0.037 0.000 2.026 6140 F HA -0.189 4.338 4.527 -0.000 0.000 0.296 6140 F C 2.109 177.892 175.800 -0.028 0.000 1.133 6140 F CA 1.706 59.669 58.000 -0.062 0.000 1.188 6140 F CB -0.363 38.584 39.000 -0.088 0.000 0.968 6140 F HN -0.045 nan 8.300 nan 0.000 0.476 6141 R N -1.115 119.338 120.500 -0.079 0.000 2.159 6141 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 6141 R C 2.089 178.402 176.300 0.022 0.000 1.131 6141 R CA 1.615 57.617 56.100 -0.164 0.000 0.982 6141 R CB -1.122 29.148 30.300 -0.050 0.000 0.868 6141 R HN 0.589 nan 8.270 nan 0.000 0.453 6142 W N 2.146 123.438 121.300 -0.012 0.000 2.408 6142 W HA -0.103 4.557 4.660 -0.000 0.000 0.311 6142 W C 1.917 178.426 176.519 -0.017 0.000 1.190 6142 W CA 1.098 58.521 57.345 0.130 0.000 1.321 6142 W CB -0.285 29.342 29.460 0.280 0.000 1.143 6142 W HN -0.051 nan 8.180 nan 0.000 0.501 6143 Q N 0.157 119.584 119.800 -0.621 0.000 2.096 6143 Q HA -0.233 4.106 4.340 -0.000 0.000 0.204 6143 Q C 2.197 177.670 176.000 -0.878 0.000 0.982 6143 Q CA 1.808 56.885 55.803 -1.209 0.000 0.850 6143 Q CB -0.653 27.457 28.738 -1.046 0.000 0.901 6143 Q HN 0.322 nan 8.270 nan 0.000 0.422 6144 L N 1.171 122.011 121.223 -0.638 0.000 1.943 6144 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 6144 L C 2.202 178.835 176.870 -0.395 0.000 1.074 6144 L CA 2.080 56.597 54.840 -0.537 0.000 0.759 6144 L CB -0.536 41.150 42.059 -0.622 0.000 0.888 6144 L HN 0.198 nan 8.230 nan 0.000 0.433 6145 E N -1.588 118.430 120.200 -0.304 0.000 2.409 6145 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 6145 E C 1.933 178.408 176.600 -0.208 0.000 1.024 6145 E CA 0.823 57.076 56.400 -0.245 0.000 0.861 6145 E CB 0.110 29.671 29.700 -0.233 0.000 0.788 6145 E HN 0.522 nan 8.360 nan 0.000 0.521 6146 S N 0.360 115.888 115.700 -0.287 0.000 2.345 6146 S HA -0.061 4.409 4.470 -0.000 0.000 0.219 6146 S C 1.753 176.264 174.600 -0.150 0.000 1.031 6146 S CA 0.763 58.825 58.200 -0.229 0.000 0.984 6146 S CB -0.096 62.842 63.200 -0.437 0.000 0.874 6146 S HN 0.317 nan 8.310 nan 0.000 0.451 6147 L N 0.348 121.435 121.223 -0.228 0.000 2.456 6147 L HA 0.076 4.416 4.340 -0.000 0.000 0.224 6147 L C -0.268 176.568 176.870 -0.056 0.000 1.148 6147 L CA 0.285 55.085 54.840 -0.067 0.000 0.825 6147 L CB -0.434 41.543 42.059 -0.136 0.000 0.937 6147 L HN 0.178 nan 8.230 nan 0.000 0.450 6148 K N 0.160 120.479 120.400 -0.134 0.000 6.703 6148 K HA -0.150 4.170 4.320 -0.000 0.000 0.800 6148 K C -0.321 176.177 176.600 -0.171 0.000 2.378 6148 K CA 0.680 56.879 56.287 -0.147 0.000 1.724 6148 K CB -1.016 31.429 32.500 -0.091 0.000 2.267 6148 K HN 0.113 nan 8.250 nan 0.000 0.261 6149 S N 3.249 118.815 115.700 -0.224 0.000 2.479 6149 S HA 0.331 4.801 4.470 -0.000 0.000 0.169 6149 S C -0.892 173.545 174.600 -0.271 0.000 1.181 6149 S CA -0.606 57.462 58.200 -0.220 0.000 1.169 6149 S CB -0.020 63.051 63.200 -0.215 0.000 1.384 6149 S HN 0.405 nan 8.310 nan 0.000 0.412 6150 Q N 1.839 121.450 119.800 -0.315 0.000 3.110 6150 Q HA 0.463 4.803 4.340 -0.000 0.000 0.360 6150 Q C -0.219 175.550 176.000 -0.384 0.000 0.820 6150 Q CA -0.822 54.710 55.803 -0.452 0.000 0.845 6150 Q CB 0.677 28.948 28.738 -0.779 0.000 1.357 6150 Q HN 0.536 nan 8.270 nan 0.000 0.480 6151 E N -0.379 119.508 120.200 -0.521 0.000 2.702 6151 E HA 0.123 4.473 4.350 -0.000 0.000 0.225 6151 E C -0.649 175.874 176.600 -0.129 0.000 0.942 6151 E CA 0.056 56.316 56.400 -0.233 0.000 1.210 6151 E CB 0.713 30.374 29.700 -0.066 0.000 1.143 6151 E HN 0.426 nan 8.360 nan 0.000 0.544 6152 F N -0.440 119.459 119.950 -0.084 0.000 2.619 6152 F HA 0.550 5.077 4.527 -0.000 0.000 0.382 6152 F C -0.854 174.886 175.800 -0.099 0.000 1.466 6152 F CA -1.057 56.895 58.000 -0.080 0.000 1.137 6152 F CB 0.964 39.917 39.000 -0.078 0.000 1.205 6152 F HN -0.148 nan 8.300 nan 0.000 0.525 6153 V N 1.213 121.036 119.914 -0.151 0.000 2.795 6153 V HA 0.458 4.578 4.120 -0.000 0.000 0.272 6153 V C -0.469 175.553 176.094 -0.119 0.000 1.130 6153 V CA 0.054 62.279 62.300 -0.125 0.000 0.931 6153 V CB 0.826 32.522 31.823 -0.213 0.000 1.062 6153 V HN 0.666 nan 8.190 nan 0.000 0.476 6160 D N -1.454 119.035 120.400 0.148 0.000 2.087 6160 D HA 0.201 4.841 4.640 -0.000 0.000 0.064 6160 D C -0.744 175.599 176.300 0.072 0.000 1.430 6160 D CA 0.200 54.245 54.000 0.075 0.000 1.105 6160 D CB 1.300 42.110 40.800 0.017 0.000 2.833 6160 D HN 0.402 nan 8.370 nan 0.000 0.195 6161 T N 0.227 114.811 114.554 0.049 0.000 3.583 6161 T HA 0.410 4.760 4.350 -0.000 0.000 0.274 6161 T C -0.849 173.882 174.700 0.051 0.000 0.698 6161 T CA -0.344 61.791 62.100 0.058 0.000 1.262 6161 T CB 0.739 69.634 68.868 0.044 0.000 1.000 6161 T HN 0.650 nan 8.240 nan 0.000 0.528 6162 R N 2.476 123.024 120.500 0.080 0.000 1.761 6162 R HA -0.140 4.200 4.340 -0.000 0.000 0.392 6162 R C -1.304 175.010 176.300 0.025 0.000 1.218 6162 R CA 0.451 56.607 56.100 0.093 0.000 0.940 6162 R CB -1.095 29.253 30.300 0.081 0.000 2.917 6162 R HN 0.710 nan 8.270 nan 0.000 0.491 6163 N N 4.433 123.111 118.700 -0.036 0.000 3.506 6163 N HA 0.189 4.929 4.740 -0.000 0.000 0.174 6163 N C -1.800 173.467 175.510 -0.406 0.000 1.488 6163 N CA -0.442 52.504 53.050 -0.174 0.000 0.834 6163 N CB 0.501 38.845 38.487 -0.239 0.000 1.677 6163 N HN 0.449 nan 8.380 nan 0.000 0.654 6164 W N 2.019 123.407 121.300 0.148 0.000 1.187 6164 W HA 0.510 5.170 4.660 -0.000 0.000 0.297 6164 W C 0.476 177.190 176.519 0.325 0.000 0.842 6164 W CA -0.438 57.057 57.345 0.251 0.000 2.286 6164 W CB 0.511 30.049 29.460 0.129 0.000 1.736 6164 W HN 0.269 nan 8.180 nan 0.000 0.507 6165 N N -0.823 118.123 118.700 0.410 0.000 2.160 6165 N HA -0.074 4.666 4.740 -0.000 0.000 0.242 6165 N C 1.036 176.739 175.510 0.322 0.000 1.204 6165 N CA 0.302 53.558 53.050 0.344 0.000 0.813 6165 N CB 0.122 38.739 38.487 0.216 0.000 1.384 6165 N HN 0.051 nan 8.380 nan 0.000 0.476 6166 D N 1.587 122.120 120.400 0.222 0.000 2.216 6166 D HA -0.037 4.603 4.640 -0.000 0.000 0.208 6166 D C 1.561 177.947 176.300 0.143 0.000 0.960 6166 D CA 0.728 54.818 54.000 0.150 0.000 0.861 6166 D CB 0.643 41.494 40.800 0.086 0.000 0.985 6166 D HN 0.288 nan 8.370 nan 0.000 0.493 6167 E N -0.508 119.799 120.200 0.177 0.000 2.204 6167 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 6167 E C 1.920 178.657 176.600 0.228 0.000 0.989 6167 E CA 0.621 57.131 56.400 0.183 0.000 0.824 6167 E CB -0.253 29.534 29.700 0.145 0.000 0.756 6167 E HN 0.446 nan 8.360 nan 0.000 0.477 6168 W N 1.651 123.002 121.300 0.085 0.000 2.453 6168 W HA -0.111 4.549 4.660 -0.000 0.000 0.289 6168 W C 1.296 177.694 176.519 -0.200 0.000 1.215 6168 W CA 1.454 58.591 57.345 -0.348 0.000 1.297 6168 W CB -0.422 28.852 29.460 -0.310 0.000 1.113 6168 W HN 0.089 nan 8.180 nan 0.000 0.551 6169 D N 0.623 121.018 120.400 -0.008 0.000 2.127 6169 D HA -0.335 4.305 4.640 -0.000 0.000 0.190 6169 D C 2.070 178.246 176.300 -0.206 0.000 1.000 6169 D CA 2.689 56.641 54.000 -0.080 0.000 0.839 6169 D CB -0.886 39.955 40.800 0.067 0.000 0.955 6169 D HN 0.224 nan 8.370 nan 0.000 0.446 6170 N N -0.546 118.086 118.700 -0.114 0.000 2.037 6170 N HA -0.199 4.541 4.740 -0.000 0.000 0.196 6170 N C 1.970 177.390 175.510 -0.149 0.000 1.034 6170 N CA 0.994 53.994 53.050 -0.083 0.000 0.861 6170 N CB -0.178 38.294 38.487 -0.024 0.000 1.039 6170 N HN 0.177 nan 8.380 nan 0.000 0.427 6171 L N 1.249 122.297 121.223 -0.292 0.000 2.137 6171 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 6171 L C 2.206 178.905 176.870 -0.285 0.000 1.085 6171 L CA 1.382 56.026 54.840 -0.327 0.000 0.760 6171 L CB -0.947 40.656 42.059 -0.760 0.000 0.893 6171 L HN 0.411 nan 8.230 nan 0.000 0.434 6172 I N -0.788 119.524 120.570 -0.429 0.000 2.439 6172 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 6172 I C 2.410 178.640 176.117 0.188 0.000 1.139 6172 I CA 0.831 62.003 61.300 -0.215 0.000 1.438 6172 I CB -0.258 37.556 38.000 -0.310 0.000 1.085 6172 I HN 0.214 nan 8.210 nan 0.000 0.427 6173 K N 0.798 121.256 120.400 0.096 0.000 2.097 6173 K HA -0.058 4.261 4.320 -0.000 0.000 0.205 6173 K C 2.164 178.782 176.600 0.030 0.000 1.050 6173 K CA 1.312 57.672 56.287 0.121 0.000 0.938 6173 K CB -0.085 32.441 32.500 0.043 0.000 0.718 6173 K HN 0.255 nan 8.250 nan 0.000 0.442 6174 M N 0.156 119.772 119.600 0.026 0.000 2.279 6174 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 6174 M C 2.206 178.467 176.300 -0.064 0.000 1.062 6174 M CA 1.268 56.549 55.300 -0.031 0.000 1.099 6174 M CB -0.207 32.360 32.600 -0.055 0.000 1.394 6174 M HN 0.150 nan 8.290 nan 0.000 0.426 6175 A N 0.337 123.206 122.820 0.082 0.000 2.119 6175 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 6175 A C 1.407 178.942 177.584 -0.081 0.000 1.153 6175 A CA 0.793 52.906 52.037 0.127 0.000 0.692 6175 A CB -0.632 18.594 19.000 0.376 0.000 0.799 6175 A HN 0.528 nan 8.150 nan 0.000 0.458 6176 S N -0.563 114.864 115.700 -0.455 0.000 2.600 6176 S HA 0.227 4.697 4.470 -0.000 0.000 0.265 6176 S C 1.051 175.383 174.600 -0.447 0.000 1.325 6176 S CA 0.393 57.924 58.200 -1.115 0.000 1.002 6176 S CB 0.711 63.231 63.200 -1.134 0.000 0.921 6176 S HN 0.673 nan 8.310 nan 0.000 0.554 6177 T N -1.874 112.458 114.554 -0.371 0.000 3.148 6177 T HA 0.088 4.438 4.350 -0.000 0.000 0.253 6177 T C 0.099 174.777 174.700 -0.037 0.000 1.134 6177 T CA -0.151 61.915 62.100 -0.057 0.000 1.051 6177 T CB -0.642 68.219 68.868 -0.013 0.000 0.959 6177 T HN 0.585 nan 8.240 nan 0.000 0.525 6178 D N 2.544 122.862 120.400 -0.137 0.000 2.378 6178 D HA 0.159 4.798 4.640 -0.000 0.000 0.238 6178 D C 0.001 176.255 176.300 -0.077 0.000 1.180 6178 D CA 0.480 54.419 54.000 -0.101 0.000 0.895 6178 D CB 0.923 41.659 40.800 -0.107 0.000 1.192 6178 D HN 0.195 nan 8.370 nan 0.000 0.438 6179 T N 1.982 116.485 114.554 -0.086 0.000 2.829 6179 T HA 0.441 4.791 4.350 -0.000 0.000 0.282 6179 T C -2.080 172.587 174.700 -0.055 0.000 0.990 6179 T CA -1.160 60.884 62.100 -0.093 0.000 1.028 6179 T CB 1.519 70.314 68.868 -0.123 0.000 0.951 6179 T HN 0.130 nan 8.240 nan 0.000 0.460 6180 P HA 0.301 nan 4.420 nan 0.000 0.274 6180 P C 0.020 177.306 177.300 -0.022 0.000 1.246 6180 P CA -0.647 62.441 63.100 -0.019 0.000 0.795 6180 P CB 0.427 32.126 31.700 -0.002 0.000 1.006 6181 M N 1.377 120.968 119.600 -0.014 0.000 3.709 6181 M HA 0.213 4.693 4.480 -0.000 0.000 0.202 6181 M C 0.217 176.510 176.300 -0.011 0.000 1.360 6181 M CA -0.410 54.882 55.300 -0.014 0.000 1.600 6181 M CB -1.715 30.879 32.600 -0.010 0.000 1.061 6181 M HN 0.618 nan 8.290 nan 0.000 0.575 6182 A N 0.608 123.420 122.820 -0.013 0.000 2.610 6182 A HA -0.253 4.066 4.320 -0.000 0.000 0.299 6182 A C 1.278 178.860 177.584 -0.003 0.000 1.487 6182 A CA 0.874 52.906 52.037 -0.009 0.000 0.743 6182 A CB -1.559 17.434 19.000 -0.012 0.000 1.070 6182 A HN 0.754 nan 8.150 nan 0.000 0.439 6183 R N -0.227 120.274 120.500 0.002 0.000 2.237 6183 R HA 0.058 4.398 4.340 -0.000 0.000 0.219 6183 R C 1.913 178.216 176.300 0.004 0.000 1.080 6183 R CA 1.383 57.486 56.100 0.005 0.000 0.995 6183 R CB -0.025 30.283 30.300 0.013 0.000 0.875 6183 R HN 0.792 nan 8.270 nan 0.000 0.462 6184 S N -2.478 113.225 115.700 0.006 0.000 2.483 6184 S HA 0.189 4.659 4.470 -0.000 0.000 0.280 6184 S C 0.526 175.128 174.600 0.003 0.000 1.059 6184 S CA 0.395 58.596 58.200 0.002 0.000 1.359 6184 S CB 1.115 64.321 63.200 0.010 0.000 1.171 6184 S HN 0.426 nan 8.310 nan 0.000 0.625 6185 G N 1.732 110.535 108.800 0.005 0.000 2.145 6185 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.176 6185 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.176 6185 G C -0.586 174.320 174.900 0.009 0.000 1.013 6185 G CA 0.041 45.142 45.100 0.001 0.000 0.689 6185 G HN 0.405 nan 8.290 nan 0.000 0.506 6186 L N -0.131 121.104 121.223 0.020 0.000 2.319 6186 L HA 0.521 4.861 4.340 -0.000 0.000 0.267 6186 L C 1.573 178.439 176.870 -0.007 0.000 1.011 6186 L CA -0.508 54.354 54.840 0.038 0.000 0.818 6186 L CB 1.228 43.345 42.059 0.096 0.000 1.316 6186 L HN 0.304 nan 8.230 nan 0.000 0.432 6187 Q N 0.554 120.331 119.800 -0.039 0.000 2.224 6187 Q HA -0.084 4.255 4.340 -0.000 0.000 0.203 6187 Q C -0.800 174.924 176.000 -0.460 0.000 0.970 6187 Q CA 1.576 57.209 55.803 -0.283 0.000 0.865 6187 Q CB 0.292 28.789 28.738 -0.401 0.000 0.922 6187 Q HN 0.562 nan 8.270 nan 0.000 0.445 6188 Y N -1.133 119.175 120.300 0.014 0.000 2.634 6188 Y HA 0.376 4.926 4.550 -0.000 0.000 0.340 6188 Y C -0.182 175.708 175.900 -0.018 0.000 1.058 6188 Y CA -1.587 56.503 58.100 -0.017 0.000 1.081 6188 Y CB 0.693 39.136 38.460 -0.027 0.000 1.295 6188 Y HN -0.155 nan 8.280 nan 0.000 0.487 6189 N N 0.739 119.515 118.700 0.127 0.000 2.525 6189 N HA 0.140 4.880 4.740 -0.000 0.000 0.271 6189 N C -0.510 175.017 175.510 0.027 0.000 1.194 6189 N CA -0.027 53.051 53.050 0.046 0.000 0.964 6189 N CB 1.119 39.601 38.487 -0.008 0.000 1.126 6189 N HN 0.735 nan 8.380 nan 0.000 0.452 6190 S N 1.605 117.327 115.700 0.037 0.000 2.580 6190 S HA 0.417 4.887 4.470 -0.000 0.000 0.274 6190 S C 0.221 174.769 174.600 -0.087 0.000 1.329 6190 S CA -0.651 57.575 58.200 0.043 0.000 1.036 6190 S CB 0.614 63.895 63.200 0.136 0.000 0.919 6190 S HN 0.367 nan 8.310 nan 0.000 0.515 6191 L N 2.069 123.212 121.223 -0.134 0.000 2.334 6191 L HA 0.609 4.949 4.340 -0.000 0.000 0.272 6191 L C 0.552 177.356 176.870 -0.110 0.000 1.020 6191 L CA -0.766 53.839 54.840 -0.391 0.000 0.812 6191 L CB 1.402 43.187 42.059 -0.458 0.000 1.264 6191 L HN 0.913 nan 8.230 nan 0.000 0.439 6192 E N -0.172 120.039 120.200 0.019 0.000 2.412 6192 E HA 0.334 4.684 4.350 -0.000 0.000 0.255 6192 E C -0.102 176.665 176.600 0.277 0.000 0.933 6192 E CA -0.763 55.757 56.400 0.200 0.000 0.823 6192 E CB 1.011 30.866 29.700 0.257 0.000 1.352 6192 E HN 0.372 nan 8.360 nan 0.000 0.406 6193 E N 0.208 120.590 120.200 0.304 0.000 2.119 6193 E HA -0.270 4.080 4.350 -0.000 0.000 0.221 6193 E C 1.637 178.642 176.600 0.676 0.000 1.062 6193 E CA 1.968 58.657 56.400 0.482 0.000 0.894 6193 E CB -0.461 29.558 29.700 0.531 0.000 0.785 6193 E HN 0.608 nan 8.360 nan 0.000 0.472 6194 I N 0.410 121.321 120.570 0.568 0.000 2.236 6194 I HA -0.302 3.867 4.170 -0.000 0.000 0.249 6194 I C 1.753 177.803 176.117 -0.112 0.000 1.102 6194 I CA 1.880 63.203 61.300 0.039 0.000 1.365 6194 I CB -0.354 37.657 38.000 0.017 0.000 1.051 6194 I HN 0.234 nan 8.210 nan 0.000 0.420 6195 H N -0.154 118.887 119.070 -0.048 0.000 2.353 6195 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 6195 H C 2.251 177.480 175.328 -0.165 0.000 1.090 6195 H CA 2.148 58.109 56.048 -0.146 0.000 1.327 6195 H CB -0.348 29.327 29.762 -0.145 0.000 1.383 6195 H HN 0.338 nan 8.280 nan 0.000 0.508 6196 I N -0.412 120.139 120.570 -0.030 0.000 2.208 6196 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 6196 I C 2.060 178.127 176.117 -0.083 0.000 1.097 6196 I CA 1.337 62.483 61.300 -0.256 0.000 1.363 6196 I CB -0.352 37.237 38.000 -0.685 0.000 1.051 6196 I HN 0.182 nan 8.210 nan 0.000 0.413 6197 F N 1.531 121.526 119.950 0.076 0.000 2.102 6197 F HA -0.194 4.332 4.527 -0.000 0.000 0.298 6197 F C 2.398 178.128 175.800 -0.116 0.000 1.105 6197 F CA 1.615 59.681 58.000 0.111 0.000 1.239 6197 F CB -0.219 38.606 39.000 -0.292 0.000 0.991 6197 F HN -0.254 nan 8.300 nan 0.000 0.474 6198 V N 0.770 120.540 119.914 -0.240 0.000 2.407 6198 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 6198 V C 2.470 178.396 176.094 -0.280 0.000 1.055 6198 V CA 1.810 63.805 62.300 -0.508 0.000 1.049 6198 V CB -0.741 30.670 31.823 -0.687 0.000 0.662 6198 V HN 0.457 nan 8.190 nan 0.000 0.455 6199 L N 0.671 121.772 121.223 -0.203 0.000 2.017 6199 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 6199 L C 2.701 179.491 176.870 -0.134 0.000 1.073 6199 L CA 2.542 57.299 54.840 -0.138 0.000 0.745 6199 L CB -0.432 41.522 42.059 -0.174 0.000 0.894 6199 L HN 0.708 nan 8.230 nan 0.000 0.432 6200 C N -1.023 118.162 119.300 -0.191 0.000 2.432 6200 C HA -0.057 4.403 4.460 -0.000 0.000 0.282 6200 C C 2.342 177.237 174.990 -0.159 0.000 1.388 6200 C CA 0.352 59.264 59.018 -0.176 0.000 1.777 6200 C CB -1.363 26.282 27.740 -0.158 0.000 1.882 6200 C HN 0.543 nan 8.230 nan 0.000 0.520 6201 N N 1.497 120.104 118.700 -0.154 0.000 2.207 6201 N HA 0.107 4.847 4.740 -0.000 0.000 0.182 6201 N C 1.754 177.348 175.510 0.140 0.000 1.020 6201 N CA 1.443 54.525 53.050 0.053 0.000 0.858 6201 N CB -0.305 38.286 38.487 0.174 0.000 0.991 6201 N HN 0.595 nan 8.380 nan 0.000 0.427 6202 I N 1.218 121.866 120.570 0.130 0.000 2.361 6202 I HA -0.214 3.955 4.170 -0.000 0.000 0.251 6202 I C 1.666 177.914 176.117 0.219 0.000 1.133 6202 I CA 0.966 62.401 61.300 0.224 0.000 1.413 6202 I CB -0.117 38.007 38.000 0.206 0.000 1.073 6202 I HN 0.074 nan 8.210 nan 0.000 0.424 6203 L N -0.359 120.911 121.223 0.077 0.000 2.529 6203 L HA 0.117 4.457 4.340 -0.000 0.000 0.223 6203 L C 0.709 177.351 176.870 -0.380 0.000 1.113 6203 L CA 0.058 54.895 54.840 -0.006 0.000 0.861 6203 L CB -0.264 41.743 42.059 -0.086 0.000 1.012 6203 L HN 0.179 nan 8.230 nan 0.000 0.461 6204 R N 1.067 121.337 120.500 -0.384 0.000 3.333 6204 R HA -0.177 4.163 4.340 -0.000 0.000 0.256 6204 R C 0.056 176.161 176.300 -0.325 0.000 1.010 6204 R CA 0.498 56.281 56.100 -0.528 0.000 0.680 6204 R CB -1.292 28.468 30.300 -0.900 0.000 1.102 6204 R HN 0.386 nan 8.270 nan 0.000 0.440 6205 R N 0.394 120.790 120.500 -0.174 0.000 2.566 6205 R HA 0.323 4.663 4.340 -0.000 0.000 0.271 6205 R C -2.765 173.515 176.300 -0.033 0.000 1.071 6205 R CA -1.832 54.245 56.100 -0.038 0.000 0.915 6205 R CB 2.072 32.356 30.300 -0.027 0.000 1.228 6205 R HN -0.164 nan 8.270 nan 0.000 0.449 6206 P HA 0.192 nan 4.420 nan 0.000 0.275 6206 P C -0.668 176.616 177.300 -0.027 0.000 1.227 6206 P CA -0.049 63.059 63.100 0.014 0.000 0.781 6206 P CB 1.144 32.875 31.700 0.052 0.000 0.906 6207 I N 3.645 124.206 120.570 -0.014 0.000 2.433 6207 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 6207 I C 0.291 176.424 176.117 0.026 0.000 1.001 6207 I CA -0.904 60.342 61.300 -0.090 0.000 1.119 6207 I CB 1.582 39.459 38.000 -0.206 0.000 1.289 6207 I HN 0.134 nan 8.210 nan 0.000 0.438 6208 I N 6.767 127.323 120.570 -0.024 0.000 2.410 6208 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 6208 I C -0.632 175.511 176.117 0.042 0.000 1.009 6208 I CA -0.840 60.500 61.300 0.067 0.000 1.111 6208 I CB 1.914 39.943 38.000 0.050 0.000 1.262 6208 I HN 0.157 nan 8.210 nan 0.000 0.443 6209 V N 7.271 127.250 119.914 0.107 0.000 2.383 6209 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 6209 V C 0.266 176.452 176.094 0.153 0.000 1.036 6209 V CA -0.427 61.940 62.300 0.112 0.000 0.889 6209 V CB 1.584 33.469 31.823 0.103 0.000 0.985 6209 V HN 0.508 nan 8.190 nan 0.000 0.459 6210 I N 5.348 126.005 120.570 0.145 0.000 2.291 6210 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 6210 I C 0.652 176.868 176.117 0.164 0.000 1.050 6210 I CA 0.313 61.702 61.300 0.149 0.000 1.245 6210 I CB 1.147 39.230 38.000 0.137 0.000 1.405 6210 I HN 0.806 nan 8.210 nan 0.000 0.478 6211 S N 4.770 120.575 115.700 0.175 0.000 2.681 6211 S HA 0.382 4.852 4.470 -0.000 0.000 0.299 6211 S C -0.578 174.093 174.600 0.119 0.000 1.113 6211 S CA -1.009 57.310 58.200 0.197 0.000 1.013 6211 S CB 1.991 65.362 63.200 0.286 0.000 1.076 6211 S HN 0.630 nan 8.310 nan 0.000 0.534 6212 D N 0.207 120.648 120.400 0.068 0.000 2.277 6212 D HA 0.186 4.825 4.640 -0.000 0.000 0.249 6212 D C 0.631 176.960 176.300 0.048 0.000 1.134 6212 D CA -0.610 53.410 54.000 0.032 0.000 0.863 6212 D CB 1.243 42.030 40.800 -0.021 0.000 1.143 6212 D HN 0.806 nan 8.370 nan 0.000 0.458 6213 K N 1.985 122.412 120.400 0.045 0.000 2.308 6213 K HA 0.069 4.389 4.320 -0.000 0.000 0.197 6213 K C 0.900 177.519 176.600 0.032 0.000 1.049 6213 K CA -0.427 55.887 56.287 0.045 0.000 0.991 6213 K CB 0.041 32.565 32.500 0.040 0.000 0.836 6213 K HN 0.282 nan 8.250 nan 0.000 0.500 6214 M N 2.417 122.031 119.600 0.023 0.000 2.987 6214 M HA 0.029 4.509 4.480 -0.000 0.000 0.331 6214 M C -0.281 176.028 176.300 0.014 0.000 1.766 6214 M CA 0.921 56.230 55.300 0.016 0.000 1.445 6214 M CB -0.893 31.715 32.600 0.013 0.000 1.925 6214 M HN 0.267 nan 8.290 nan 0.000 0.467 6215 L N 2.046 123.279 121.223 0.018 0.000 2.928 6215 L HA 0.235 4.575 4.340 -0.000 0.000 0.318 6215 L C 1.426 178.306 176.870 0.017 0.000 1.305 6215 L CA -0.153 54.698 54.840 0.019 0.000 0.756 6215 L CB 0.367 42.444 42.059 0.030 0.000 1.155 6215 L HN 0.571 nan 8.230 nan 0.000 0.561 6216 R N 0.025 120.533 120.500 0.013 0.000 2.193 6216 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 6216 R C 1.485 177.790 176.300 0.010 0.000 1.110 6216 R CA 1.460 57.566 56.100 0.010 0.000 0.988 6216 R CB 0.271 30.575 30.300 0.007 0.000 0.871 6216 R HN 0.282 nan 8.270 nan 0.000 0.458 6217 S N 0.200 115.905 115.700 0.009 0.000 2.582 6217 S HA 0.231 4.701 4.470 -0.000 0.000 0.234 6217 S C 0.407 175.012 174.600 0.009 0.000 0.961 6217 S CA -0.543 57.661 58.200 0.007 0.000 0.953 6217 S CB -0.006 63.196 63.200 0.003 0.000 0.800 6217 S HN 0.241 nan 8.310 nan 0.000 0.471 6218 L N 2.423 123.655 121.223 0.015 0.000 2.467 6218 L HA 0.237 4.577 4.340 -0.000 0.000 0.270 6218 L C 0.435 177.316 176.870 0.018 0.000 1.205 6218 L CA 0.348 55.200 54.840 0.020 0.000 0.828 6218 L CB 0.590 42.669 42.059 0.033 0.000 1.101 6218 L HN 0.469 nan 8.230 nan 0.000 0.479 6219 E N 0.106 120.317 120.200 0.018 0.000 4.139 6219 E HA 0.100 4.450 4.350 -0.000 0.000 0.227 6219 E C -0.498 176.115 176.600 0.022 0.000 1.187 6219 E CA -0.321 56.089 56.400 0.016 0.000 1.324 6219 E CB 0.333 30.038 29.700 0.008 0.000 1.207 6219 E HN 0.465 nan 8.360 nan 0.000 0.422 6220 S N 0.164 115.885 115.700 0.034 0.000 2.596 6220 S HA 0.585 5.054 4.470 -0.000 0.000 0.248 6220 S C 0.750 175.376 174.600 0.044 0.000 1.162 6220 S CA -0.035 58.192 58.200 0.044 0.000 1.185 6220 S CB 0.414 63.654 63.200 0.065 0.000 0.833 6220 S HN 0.762 nan 8.310 nan 0.000 0.472 6227 L N 1.159 122.488 121.223 0.176 0.000 3.088 6227 L HA -0.140 4.199 4.340 -0.000 0.000 0.711 6227 L C -0.724 176.249 176.870 0.171 0.000 1.162 6227 L CA 0.350 55.296 54.840 0.176 0.000 1.304 6227 L CB -1.008 41.161 42.059 0.184 0.000 1.913 6227 L HN 0.167 nan 8.230 nan 0.000 0.917 6228 K N 1.738 122.238 120.400 0.167 0.000 2.155 6228 K HA 0.448 4.768 4.320 -0.000 0.000 0.240 6228 K C 1.044 177.785 176.600 0.235 0.000 1.193 6228 K CA 0.027 56.424 56.287 0.183 0.000 1.104 6228 K CB 0.365 32.955 32.500 0.150 0.000 1.558 6228 K HN 0.251 nan 8.250 nan 0.000 0.313 6229 V N 1.012 121.011 119.914 0.142 0.000 2.488 6229 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 6229 V C 1.396 177.605 176.094 0.191 0.000 1.046 6229 V CA 1.391 63.712 62.300 0.036 0.000 1.053 6229 V CB -0.695 30.865 31.823 -0.438 0.000 0.679 6229 V HN 0.885 nan 8.190 nan 0.000 0.458 6230 G N -0.272 108.667 108.800 0.232 0.000 2.464 6230 G HA2 0.414 4.373 3.960 -0.000 0.000 0.231 6230 G HA3 0.414 4.373 3.960 -0.000 0.000 0.231 6230 G C 0.320 175.454 174.900 0.390 0.000 1.267 6230 G CA 0.800 46.059 45.100 0.265 0.000 0.863 6230 G HN 0.999 nan 8.290 nan 0.000 0.559 6231 G N 0.029 109.035 108.800 0.344 0.000 2.346 6231 G HA2 0.203 4.163 3.960 -0.000 0.000 0.294 6231 G HA3 0.203 4.163 3.960 -0.000 0.000 0.294 6231 G C -0.999 174.123 174.900 0.369 0.000 1.294 6231 G CA -0.709 44.598 45.100 0.344 0.000 0.962 6231 G HN 0.862 nan 8.290 nan 0.000 0.508 6232 I N 0.580 121.304 120.570 0.258 0.000 2.378 6232 I HA 0.420 4.589 4.170 -0.000 0.000 0.291 6232 I C -1.042 175.210 176.117 0.226 0.000 0.992 6232 I CA -0.687 60.753 61.300 0.233 0.000 1.154 6232 I CB 1.632 39.676 38.000 0.074 0.000 1.315 6232 I HN 0.376 nan 8.210 nan 0.000 0.448 6233 Y N 6.581 126.980 120.300 0.165 0.000 2.402 6233 Y HA 0.483 5.033 4.550 -0.000 0.000 0.332 6233 Y C -0.062 175.883 175.900 0.074 0.000 0.960 6233 Y CA -0.660 57.581 58.100 0.234 0.000 1.228 6233 Y CB 0.993 39.560 38.460 0.178 0.000 1.120 6233 Y HN 0.297 nan 8.280 nan 0.000 0.491 6234 L N 6.038 127.359 121.223 0.163 0.000 2.322 6234 L HA 0.451 4.791 4.340 -0.000 0.000 0.279 6234 L C -1.895 174.851 176.870 -0.207 0.000 1.036 6234 L CA -2.147 52.647 54.840 -0.076 0.000 0.807 6234 L CB 1.808 43.718 42.059 -0.248 0.000 1.226 6234 L HN 0.366 nan 8.230 nan 0.000 0.433 6235 P HA 0.027 nan 4.420 nan 0.000 0.225 6235 P C 0.774 178.125 177.300 0.085 0.000 1.768 6235 P CA -0.309 62.739 63.100 -0.087 0.000 0.943 6235 P CB 0.298 32.033 31.700 0.058 0.000 1.936 6236 L N 0.209 121.437 121.223 0.008 0.000 2.351 6236 L HA -0.157 4.182 4.340 -0.000 0.000 0.220 6236 L C 1.875 178.960 176.870 0.359 0.000 1.127 6236 L CA 1.798 56.748 54.840 0.183 0.000 0.786 6236 L CB -1.818 40.437 42.059 0.327 0.000 0.914 6236 L HN 0.289 nan 8.230 nan 0.000 0.443 6237 H N -3.040 116.129 119.070 0.165 0.000 2.556 6237 H HA 0.057 4.612 4.556 -0.000 0.000 0.268 6237 H C -0.460 174.750 175.328 -0.197 0.000 0.996 6237 H CA -0.068 55.953 56.048 -0.046 0.000 1.157 6237 H CB -0.234 29.447 29.762 -0.136 0.000 1.355 6237 H HN 0.195 nan 8.280 nan 0.000 0.597 6238 W N 0.088 121.497 121.300 0.181 0.000 3.031 6238 W HA 0.413 5.073 4.660 -0.000 0.000 0.337 6238 W C -2.405 174.233 176.519 0.198 0.000 1.187 6238 W CA -2.456 54.964 57.345 0.124 0.000 1.166 6238 W CB 0.927 30.439 29.460 0.087 0.000 1.437 6238 W HN -0.231 nan 8.180 nan 0.000 0.551 6239 P HA 0.203 nan 4.420 nan 0.000 0.284 6239 P C 0.168 177.422 177.300 -0.077 0.000 1.253 6239 P CA -0.014 63.149 63.100 0.104 0.000 0.800 6239 P CB 1.528 33.263 31.700 0.057 0.000 0.961 6240 A N 3.434 125.917 122.820 -0.561 0.000 2.148 6240 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 6240 A C 2.115 179.552 177.584 -0.246 0.000 1.161 6240 A CA 2.071 53.678 52.037 -0.717 0.000 0.662 6240 A CB -1.094 17.361 19.000 -0.909 0.000 0.799 6240 A HN 0.742 nan 8.150 nan 0.000 0.466 6241 Q N -0.714 119.007 119.800 -0.132 0.000 2.187 6241 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 6241 Q C 1.196 177.204 176.000 0.013 0.000 0.957 6241 Q CA 1.392 57.168 55.803 -0.046 0.000 0.857 6241 Q CB -0.299 28.426 28.738 -0.022 0.000 0.929 6241 Q HN 0.707 nan 8.270 nan 0.000 0.453 6242 E N -0.178 120.052 120.200 0.050 0.000 2.465 6242 E HA 0.143 4.493 4.350 -0.000 0.000 0.191 6242 E C -0.393 176.212 176.600 0.007 0.000 1.053 6242 E CA -0.419 56.028 56.400 0.078 0.000 0.869 6242 E CB 0.578 30.392 29.700 0.190 0.000 0.977 6242 E HN 0.279 nan 8.360 nan 0.000 0.483 6243 C N 0.127 119.437 119.300 0.017 0.000 2.595 6243 C HA 0.356 4.815 4.460 -0.000 0.000 0.338 6243 C C -0.208 174.844 174.990 0.104 0.000 1.219 6243 C CA -1.033 57.989 59.018 0.006 0.000 1.811 6243 C CB 0.578 28.368 27.740 0.083 0.000 2.313 6243 C HN 0.302 nan 8.230 nan 0.000 0.499 6244 Y N 1.776 122.070 120.300 -0.010 0.000 2.359 6244 Y HA 0.262 4.812 4.550 -0.000 0.000 0.334 6244 Y C 1.553 177.520 175.900 0.112 0.000 1.058 6244 Y CA 0.181 58.340 58.100 0.097 0.000 1.244 6244 Y CB 0.540 39.072 38.460 0.120 0.000 1.187 6244 Y HN 0.550 nan 8.280 nan 0.000 0.510 6245 R N 4.634 125.030 120.500 -0.174 0.000 2.319 6245 R HA 0.007 4.347 4.340 -0.000 0.000 0.204 6245 R C -1.125 174.945 176.300 -0.383 0.000 0.954 6245 R CA 0.227 56.189 56.100 -0.230 0.000 1.066 6245 R CB -0.185 29.928 30.300 -0.311 0.000 0.991 6245 R HN 0.502 nan 8.270 nan 0.000 0.486 6246 Y N 1.391 121.572 120.300 -0.198 0.000 2.352 6246 Y HA 0.325 4.875 4.550 -0.000 0.000 0.339 6246 Y C -1.872 174.084 175.900 0.094 0.000 0.992 6246 Y CA -3.219 54.864 58.100 -0.029 0.000 1.100 6246 Y CB 1.275 39.741 38.460 0.011 0.000 1.192 6246 Y HN -0.043 nan 8.280 nan 0.000 0.458 6247 P HA 0.277 nan 4.420 nan 0.000 0.276 6247 P C -0.643 176.618 177.300 -0.066 0.000 1.252 6247 P CA -0.170 62.955 63.100 0.042 0.000 0.802 6247 P CB 1.862 33.566 31.700 0.007 0.000 1.035 6248 I N 1.070 121.472 120.570 -0.281 0.000 2.362 6248 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 6248 I C -0.212 175.474 176.117 -0.717 0.000 0.994 6248 I CA -1.042 59.784 61.300 -0.790 0.000 1.158 6248 I CB 1.860 39.520 38.000 -0.566 0.000 1.315 6248 I HN -0.001 nan 8.210 nan 0.000 0.451 6249 V N 7.879 127.198 119.914 -0.992 0.000 2.383 6249 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 6249 V C 0.171 176.157 176.094 -0.180 0.000 1.036 6249 V CA -0.362 61.745 62.300 -0.320 0.000 0.889 6249 V CB 1.345 33.169 31.823 0.001 0.000 0.985 6249 V HN 0.483 nan 8.190 nan 0.000 0.459 6250 L N 3.838 125.020 121.223 -0.068 0.000 2.319 6250 L HA 0.868 5.207 4.340 -0.000 0.000 0.267 6250 L C 0.568 177.510 176.870 0.121 0.000 1.011 6250 L CA -0.591 54.276 54.840 0.045 0.000 0.818 6250 L CB 2.156 44.240 42.059 0.041 0.000 1.316 6250 L HN 0.707 nan 8.230 nan 0.000 0.432 6251 G N -0.068 108.822 108.800 0.150 0.000 2.432 6251 G HA2 0.575 4.535 3.960 -0.000 0.000 0.331 6251 G HA3 0.575 4.535 3.960 -0.000 0.000 0.331 6251 G C -2.280 172.718 174.900 0.163 0.000 1.170 6251 G CA -0.222 44.959 45.100 0.135 0.000 0.943 6251 G HN 0.427 nan 8.290 nan 0.000 0.483 6252 Y N 1.442 121.704 120.300 -0.063 0.000 2.401 6252 Y HA 0.384 4.933 4.550 -0.000 0.000 0.330 6252 Y C -0.545 175.277 175.900 -0.130 0.000 1.071 6252 Y CA -1.084 56.884 58.100 -0.219 0.000 1.049 6252 Y CB 1.936 40.211 38.460 -0.308 0.000 1.239 6252 Y HN 0.745 nan 8.280 nan 0.000 0.437 6253 D N 1.427 121.435 120.400 -0.652 0.000 3.519 6253 D HA 0.110 4.750 4.640 -0.000 0.000 0.203 6253 D C 1.444 177.388 176.300 -0.593 0.000 1.117 6253 D CA 0.961 54.690 54.000 -0.452 0.000 1.295 6253 D CB -0.555 40.129 40.800 -0.193 0.000 0.943 6253 D HN 0.454 nan 8.370 nan 0.000 0.220 6254 S N -0.919 114.597 115.700 -0.307 0.000 2.354 6254 S HA -0.212 4.258 4.470 -0.000 0.000 0.219 6254 S C 0.743 175.284 174.600 -0.099 0.000 1.035 6254 S CA 1.652 59.764 58.200 -0.147 0.000 1.037 6254 S CB -0.647 62.519 63.200 -0.056 0.000 0.956 6254 S HN 0.605 nan 8.310 nan 0.000 0.428 6255 H N -0.105 118.760 119.070 -0.341 0.000 3.229 6255 H HA 0.464 5.020 4.556 -0.000 0.000 0.211 6255 H C -1.189 174.112 175.328 -0.046 0.000 1.364 6255 H CA -0.395 55.539 56.048 -0.190 0.000 1.270 6255 H CB 0.134 29.895 29.762 -0.002 0.000 2.309 6255 H HN 0.627 nan 8.280 nan 0.000 0.520 6256 H N -0.394 118.468 119.070 -0.346 0.000 2.865 6256 H HA 0.413 4.969 4.556 -0.000 0.000 0.362 6256 H C -1.525 173.701 175.328 -0.170 0.000 1.114 6256 H CA -0.716 55.252 56.048 -0.134 0.000 1.208 6256 H CB 0.695 30.421 29.762 -0.060 0.000 1.727 6256 H HN 0.058 nan 8.280 nan 0.000 0.534 6257 F N 3.525 123.301 119.950 -0.291 0.000 2.425 6257 F HA 0.638 5.165 4.527 -0.000 0.000 0.331 6257 F C -0.322 175.229 175.800 -0.415 0.000 1.085 6257 F CA -0.596 57.287 58.000 -0.196 0.000 1.028 6257 F CB 1.653 40.585 39.000 -0.114 0.000 1.177 6257 F HN 0.241 nan 8.300 nan 0.000 0.487 6258 V N 3.000 122.924 119.914 0.016 0.000 3.087 6258 V HA 0.453 4.573 4.120 -0.000 0.000 0.306 6258 V C -2.438 173.709 176.094 0.087 0.000 1.187 6258 V CA -1.827 60.477 62.300 0.007 0.000 0.999 6258 V CB 3.002 34.829 31.823 0.007 0.000 1.049 6258 V HN 0.499 nan 8.190 nan 0.000 0.431 6259 P HA 0.394 nan 4.420 nan 0.000 0.282 6259 P C -1.118 176.281 177.300 0.166 0.000 1.249 6259 P CA -0.327 62.884 63.100 0.185 0.000 0.806 6259 P CB 1.412 33.225 31.700 0.189 0.000 0.984 6260 L N 3.159 124.541 121.223 0.265 0.000 2.504 6260 L HA 0.234 4.574 4.340 -0.000 0.000 0.249 6260 L C 0.613 177.623 176.870 0.235 0.000 1.120 6260 L CA -1.038 53.913 54.840 0.184 0.000 0.997 6260 L CB 1.004 43.153 42.059 0.150 0.000 1.349 6260 L HN 0.201 nan 8.230 nan 0.000 0.439 6261 V N -0.972 118.937 119.914 -0.008 0.000 2.686 6261 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 6261 V C 0.743 176.761 176.094 -0.126 0.000 1.055 6261 V CA -0.378 61.775 62.300 -0.244 0.000 1.050 6261 V CB 0.866 32.473 31.823 -0.361 0.000 0.984 6261 V HN 0.520 nan 8.190 nan 0.000 0.482 6262 T N 5.405 119.888 114.554 -0.118 0.000 2.868 6262 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 6262 T C 0.027 174.666 174.700 -0.101 0.000 1.028 6262 T CA -0.542 61.517 62.100 -0.068 0.000 1.059 6262 T CB 0.706 69.558 68.868 -0.027 0.000 0.991 6262 T HN 0.535 nan 8.240 nan 0.000 0.531 6263 L N 1.917 123.091 121.223 -0.082 0.000 2.399 6263 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 6263 L C 1.559 178.392 176.870 -0.061 0.000 1.114 6263 L CA 0.109 54.897 54.840 -0.086 0.000 0.804 6263 L CB 1.004 43.020 42.059 -0.072 0.000 1.146 6263 L HN 0.790 nan 8.230 nan 0.000 0.451 6264 K N 0.714 121.082 120.400 -0.053 0.000 2.062 6264 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 6264 K C 0.551 177.137 176.600 -0.023 0.000 1.051 6264 K CA 1.197 57.462 56.287 -0.037 0.000 0.941 6264 K CB 0.482 32.962 32.500 -0.033 0.000 0.719 6264 K HN 0.646 nan 8.250 nan 0.000 0.440 6265 D N -0.902 119.493 120.400 -0.008 0.000 3.013 6265 D HA -0.038 4.602 4.640 -0.000 0.000 0.235 6265 D C -0.132 176.167 176.300 -0.001 0.000 1.540 6265 D CA -0.030 53.967 54.000 -0.005 0.000 1.303 6265 D CB -0.214 40.586 40.800 -0.000 0.000 0.980 6265 D HN 0.016 nan 8.370 nan 0.000 0.250 6266 S N 0.191 115.897 115.700 0.009 0.000 2.963 6266 S HA 0.055 4.525 4.470 -0.000 0.000 0.360 6266 S C 0.659 175.257 174.600 -0.003 0.000 1.198 6266 S CA 1.297 59.502 58.200 0.008 0.000 0.962 6266 S CB -0.517 62.693 63.200 0.017 0.000 0.628 6266 S HN 0.684 nan 8.310 nan 0.000 0.446 6267 G N 4.817 113.616 108.800 -0.003 0.000 2.955 6267 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.604 6267 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.604 6267 G C -1.892 173.000 174.900 -0.012 0.000 1.572 6267 G CA -0.241 44.853 45.100 -0.009 0.000 1.016 6267 G HN 0.717 nan 8.290 nan 0.000 0.569 6268 P HA 0.218 nan 4.420 nan 0.000 0.255 6268 P C 0.525 177.812 177.300 -0.022 0.000 1.248 6268 P CA 0.149 63.240 63.100 -0.015 0.000 0.807 6268 P CB 0.351 32.043 31.700 -0.013 0.000 1.150 6269 E N 0.503 120.686 120.200 -0.029 0.000 2.422 6269 E HA 0.132 4.482 4.350 -0.000 0.000 0.260 6269 E C 0.402 176.981 176.600 -0.035 0.000 1.108 6269 E CA 0.145 56.520 56.400 -0.041 0.000 0.943 6269 E CB -0.034 29.633 29.700 -0.054 0.000 0.961 6269 E HN 0.070 nan 8.360 nan 0.000 0.443 6270 I N -1.117 119.429 120.570 -0.040 0.000 2.664 6270 I HA 0.356 4.526 4.170 -0.000 0.000 0.308 6270 I C 0.054 176.156 176.117 -0.024 0.000 0.984 6270 I CA -0.781 60.503 61.300 -0.026 0.000 1.213 6270 I CB 0.852 38.839 38.000 -0.023 0.000 1.379 6270 I HN 0.211 nan 8.210 nan 0.000 0.501 6271 R N 2.737 123.237 120.500 0.001 0.000 2.309 6271 R HA 0.706 5.046 4.340 -0.000 0.000 0.331 6271 R C -0.633 175.680 176.300 0.021 0.000 1.116 6271 R CA -0.117 55.994 56.100 0.019 0.000 0.970 6271 R CB -0.038 30.295 30.300 0.055 0.000 1.024 6271 R HN 0.895 nan 8.270 nan 0.000 0.472 6272 A N 1.853 124.672 122.820 -0.003 0.000 2.605 6272 A HA 0.430 4.750 4.320 -0.000 0.000 0.294 6272 A C -1.591 175.978 177.584 -0.026 0.000 1.062 6272 A CA -0.648 51.381 52.037 -0.012 0.000 0.682 6272 A CB 2.092 21.070 19.000 -0.037 0.000 1.278 6272 A HN 0.373 nan 8.150 nan 0.000 0.410 6273 V N 3.241 123.148 119.914 -0.011 0.000 2.376 6273 V HA 0.619 4.739 4.120 -0.000 0.000 0.287 6273 V C -2.436 173.662 176.094 0.007 0.000 1.015 6273 V CA -2.233 60.067 62.300 0.001 0.000 0.834 6273 V CB 1.810 33.656 31.823 0.038 0.000 1.001 6273 V HN 0.795 nan 8.190 nan 0.000 0.428 6274 P HA -0.009 nan 4.420 nan 0.000 0.263 6274 P C 0.346 177.697 177.300 0.085 0.000 1.175 6274 P CA 0.355 63.485 63.100 0.049 0.000 0.761 6274 P CB 0.754 32.551 31.700 0.162 0.000 0.794 6275 L N 2.840 124.085 121.223 0.037 0.000 2.688 6275 L HA 0.141 4.480 4.340 -0.000 0.000 0.234 6275 L C 0.912 177.794 176.870 0.019 0.000 1.192 6275 L CA -0.220 54.634 54.840 0.024 0.000 0.984 6275 L CB -0.110 41.943 42.059 -0.009 0.000 1.232 6275 L HN 0.263 nan 8.230 nan 0.000 0.465 6276 V N -4.581 115.363 119.914 0.050 0.000 3.130 6276 V HA 0.512 4.632 4.120 -0.000 0.000 0.310 6276 V C -0.865 175.256 176.094 0.044 0.000 1.158 6276 V CA -0.941 61.378 62.300 0.032 0.000 1.029 6276 V CB 2.110 33.920 31.823 -0.023 0.000 1.057 6276 V HN 0.146 nan 8.190 nan 0.000 0.436 6277 N N 1.109 119.820 118.700 0.018 0.000 2.405 6277 N HA 0.448 5.188 4.740 -0.000 0.000 0.299 6277 N C -0.488 174.966 175.510 -0.092 0.000 1.075 6277 N CA -0.892 52.106 53.050 -0.086 0.000 0.884 6277 N CB 1.564 40.036 38.487 -0.026 0.000 1.194 6277 N HN 0.666 nan 8.380 nan 0.000 0.491 6278 R N 2.448 122.672 120.500 -0.460 0.000 4.164 6278 R HA 0.014 4.354 4.340 -0.000 0.000 0.195 6278 R C -0.426 175.903 176.300 0.049 0.000 1.712 6278 R CA -0.081 55.882 56.100 -0.228 0.000 1.457 6278 R CB -1.024 28.819 30.300 -0.763 0.000 1.387 6278 R HN 0.664 nan 8.270 nan 0.000 0.785 6279 D N 1.065 121.531 120.400 0.111 0.000 2.174 6279 D HA -0.125 4.514 4.640 -0.000 0.000 0.245 6279 D C -0.114 176.180 176.300 -0.009 0.000 1.301 6279 D CA 0.133 54.145 54.000 0.019 0.000 0.959 6279 D CB 0.608 41.394 40.800 -0.023 0.000 1.231 6279 D HN 0.225 nan 8.370 nan 0.000 0.535 6280 R N -0.645 119.790 120.500 -0.108 0.000 2.609 6280 R HA 0.343 4.683 4.340 -0.000 0.000 0.271 6280 R C 0.921 176.966 176.300 -0.426 0.000 1.403 6280 R CA 0.760 56.760 56.100 -0.167 0.000 1.138 6280 R CB -0.771 29.454 30.300 -0.125 0.000 1.142 6280 R HN 0.598 nan 8.270 nan 0.000 0.559 6281 G N 2.517 110.841 108.800 -0.793 0.000 2.320 6281 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.242 6281 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.242 6281 G C 0.214 173.792 174.900 -2.205 0.000 1.033 6281 G CA 0.105 44.181 45.100 -1.708 0.000 0.620 6281 G HN 0.522 nan 8.290 nan 0.000 0.517 6282 R N -0.867 118.912 120.500 -1.202 0.000 2.856 6282 R HA 0.710 5.049 4.340 -0.000 0.000 0.258 6282 R C -0.866 175.261 176.300 -0.289 0.000 1.066 6282 R CA -0.870 54.777 56.100 -0.756 0.000 1.045 6282 R CB 1.010 31.093 30.300 -0.362 0.000 1.178 6282 R HN 0.085 nan 8.270 nan 0.000 0.499 6283 F N 1.091 121.066 119.950 0.041 0.000 2.308 6283 F HA 0.225 4.752 4.527 -0.000 0.000 0.370 6283 F C 0.266 176.076 175.800 0.017 0.000 1.100 6283 F CA -0.732 57.339 58.000 0.118 0.000 1.108 6283 F CB 1.396 40.486 39.000 0.149 0.000 1.293 6283 F HN 0.279 nan 8.300 nan 0.000 0.478 6284 E N 3.053 123.366 120.200 0.188 0.000 2.283 6284 E HA 0.109 4.459 4.350 -0.000 0.000 0.278 6284 E C -0.390 176.249 176.600 0.065 0.000 1.027 6284 E CA -0.297 56.156 56.400 0.087 0.000 0.843 6284 E CB 0.664 30.390 29.700 0.044 0.000 1.062 6284 E HN 0.400 nan 8.360 nan 0.000 0.401 6285 D N 2.097 122.516 120.400 0.031 0.000 2.399 6285 D HA -0.004 4.636 4.640 -0.000 0.000 0.241 6285 D C 0.029 176.299 176.300 -0.050 0.000 1.133 6285 D CA -0.202 53.786 54.000 -0.021 0.000 0.890 6285 D CB 0.953 41.716 40.800 -0.063 0.000 1.201 6285 D HN 0.205 nan 8.370 nan 0.000 0.432 6286 L N 1.901 123.082 121.223 -0.070 0.000 2.426 6286 L HA 0.045 4.385 4.340 -0.000 0.000 0.271 6286 L C 0.616 177.373 176.870 -0.187 0.000 1.169 6286 L CA 0.261 55.063 54.840 -0.063 0.000 0.836 6286 L CB 0.500 42.546 42.059 -0.021 0.000 1.112 6286 L HN 0.243 nan 8.230 nan 0.000 0.465 6287 K N 2.972 123.308 120.400 -0.108 0.000 2.368 6287 K HA 0.290 4.609 4.320 -0.000 0.000 0.282 6287 K C -1.312 175.138 176.600 -0.249 0.000 1.035 6287 K CA -0.437 55.755 56.287 -0.158 0.000 0.973 6287 K CB 0.565 33.061 32.500 -0.006 0.000 0.957 6287 K HN 0.458 nan 8.250 nan 0.000 0.474 6288 V N 6.066 125.701 119.914 -0.465 0.000 2.328 6288 V HA 0.131 4.251 4.120 -0.000 0.000 0.278 6288 V C 0.154 176.237 176.094 -0.017 0.000 1.021 6288 V CA -0.822 61.353 62.300 -0.207 0.000 0.838 6288 V CB 0.702 32.369 31.823 -0.260 0.000 0.999 6288 V HN 0.797 nan 8.190 nan 0.000 0.447 6289 H N 4.488 123.416 119.070 -0.237 0.000 2.771 6289 H HA 0.140 4.696 4.556 -0.000 0.000 0.364 6289 H C 0.536 175.697 175.328 -0.278 0.000 1.133 6289 H CA 0.350 56.082 56.048 -0.526 0.000 1.423 6289 H CB 0.392 29.463 29.762 -1.152 0.000 1.425 6289 H HN 0.683 nan 8.280 nan 0.000 0.606 6290 F N -0.991 118.873 119.950 -0.144 0.000 3.019 6290 F HA -0.268 4.258 4.527 -0.000 0.000 0.259 6290 F C 0.198 175.860 175.800 -0.230 0.000 0.976 6290 F CA 0.001 57.832 58.000 -0.281 0.000 0.876 6290 F CB -2.026 36.612 39.000 -0.605 0.000 0.784 6290 F HN 0.285 nan 8.300 nan 0.000 0.786 6291 L N 0.099 121.312 121.223 -0.016 0.000 2.399 6291 L HA 0.507 4.846 4.340 -0.000 0.000 0.266 6291 L C 1.058 177.900 176.870 -0.046 0.000 1.114 6291 L CA -0.464 54.392 54.840 0.027 0.000 0.804 6291 L CB 1.428 43.555 42.059 0.112 0.000 1.146 6291 L HN 0.322 nan 8.230 nan 0.000 0.451 6292 T N -3.165 111.384 114.554 -0.009 0.000 2.918 6292 T HA 0.175 4.525 4.350 -0.000 0.000 0.283 6292 T C 0.545 175.228 174.700 -0.028 0.000 1.001 6292 T CA -0.768 61.313 62.100 -0.033 0.000 1.041 6292 T CB 1.368 70.267 68.868 0.051 0.000 1.028 6292 T HN 0.533 nan 8.240 nan 0.000 0.511 6293 D N 1.750 122.122 120.400 -0.047 0.000 2.154 6293 D HA -0.098 4.542 4.640 -0.000 0.000 0.190 6293 D C -0.954 175.342 176.300 -0.006 0.000 1.003 6293 D CA 1.731 55.706 54.000 -0.042 0.000 0.849 6293 D CB -1.783 38.996 40.800 -0.035 0.000 0.942 6293 D HN 0.465 nan 8.370 nan 0.000 0.446 6294 P HA -0.147 nan 4.420 nan 0.000 0.212 6294 P C 1.136 178.460 177.300 0.039 0.000 1.178 6294 P CA 1.414 64.529 63.100 0.025 0.000 0.915 6294 P CB -0.032 31.687 31.700 0.031 0.000 0.788 6295 E N -0.696 119.536 120.200 0.052 0.000 2.097 6295 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 6295 E C 2.058 178.709 176.600 0.086 0.000 1.000 6295 E CA 1.226 57.670 56.400 0.074 0.000 0.804 6295 E CB -0.804 28.948 29.700 0.087 0.000 0.740 6295 E HN 0.368 nan 8.360 nan 0.000 0.454 6296 N N 0.316 119.066 118.700 0.083 0.000 2.192 6296 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 6296 N C 1.586 177.167 175.510 0.118 0.000 1.013 6296 N CA 0.844 53.975 53.050 0.134 0.000 0.863 6296 N CB 0.210 38.718 38.487 0.035 0.000 0.990 6296 N HN 0.119 nan 8.380 nan 0.000 0.430 6297 E N 0.815 121.055 120.200 0.066 0.000 2.072 6297 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 6297 E C 1.640 178.273 176.600 0.055 0.000 0.982 6297 E CA 1.019 57.450 56.400 0.052 0.000 0.803 6297 E CB -0.293 29.426 29.700 0.031 0.000 0.755 6297 E HN 0.717 nan 8.360 nan 0.000 0.453 6298 M N 0.631 120.265 119.600 0.057 0.000 2.626 6298 M HA 0.263 4.743 4.480 -0.000 0.000 0.262 6298 M C 1.359 177.694 176.300 0.059 0.000 1.256 6298 M CA -0.009 55.323 55.300 0.053 0.000 0.981 6298 M CB 0.005 32.636 32.600 0.052 0.000 1.492 6298 M HN -0.169 nan 8.290 nan 0.000 0.474 6299 K N 0.923 121.361 120.400 0.064 0.000 2.063 6299 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 6299 K C 1.666 178.273 176.600 0.012 0.000 1.048 6299 K CA 2.106 58.418 56.287 0.042 0.000 0.928 6299 K CB -0.489 32.025 32.500 0.023 0.000 0.713 6299 K HN 0.600 nan 8.250 nan 0.000 0.442 6300 E N 0.903 121.107 120.200 0.006 0.000 2.265 6300 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 6300 E C 1.244 177.855 176.600 0.019 0.000 0.996 6300 E CA 0.978 57.378 56.400 -0.000 0.000 0.832 6300 E CB 0.225 29.925 29.700 0.001 0.000 0.756 6300 E HN 0.257 nan 8.360 nan 0.000 0.491 6301 K N 0.163 120.585 120.400 0.035 0.000 2.044 6301 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 6301 K C 1.977 178.622 176.600 0.074 0.000 1.049 6301 K CA 0.798 57.111 56.287 0.045 0.000 0.945 6301 K CB -0.328 32.200 32.500 0.046 0.000 0.724 6301 K HN 0.113 nan 8.250 nan 0.000 0.440 6302 L N 0.474 121.761 121.223 0.108 0.000 2.079 6302 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 6302 L C 2.225 179.225 176.870 0.216 0.000 1.081 6302 L CA 1.122 56.084 54.840 0.203 0.000 0.752 6302 L CB -0.497 41.666 42.059 0.173 0.000 0.896 6302 L HN 0.141 nan 8.230 nan 0.000 0.433 6303 L N -0.263 121.023 121.223 0.104 0.000 2.046 6303 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 6303 L C 2.605 179.511 176.870 0.059 0.000 1.077 6303 L CA 1.458 56.340 54.840 0.071 0.000 0.747 6303 L CB -0.347 41.718 42.059 0.010 0.000 0.896 6303 L HN 0.234 nan 8.230 nan 0.000 0.432 6304 K N -0.623 119.800 120.400 0.038 0.000 2.283 6304 K HA -0.191 4.129 4.320 -0.000 0.000 0.202 6304 K C 1.873 178.473 176.600 -0.000 0.000 1.048 6304 K CA 0.965 57.256 56.287 0.007 0.000 0.948 6304 K CB -0.004 32.498 32.500 0.002 0.000 0.742 6304 K HN 0.367 nan 8.250 nan 0.000 0.458 6305 E N 0.008 120.229 120.200 0.036 0.000 2.075 6305 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 6305 E C 1.124 177.678 176.600 -0.077 0.000 0.969 6305 E CA 0.682 57.066 56.400 -0.027 0.000 0.815 6305 E CB 0.156 29.847 29.700 -0.015 0.000 0.776 6305 E HN 0.306 nan 8.360 nan 0.000 0.457 6306 Y N 0.099 120.394 120.300 -0.008 0.000 2.523 6306 Y HA 0.261 4.811 4.550 -0.000 0.000 0.279 6306 Y C 0.689 176.558 175.900 -0.052 0.000 1.139 6306 Y CA 0.256 58.350 58.100 -0.009 0.000 1.296 6306 Y CB 0.637 39.114 38.460 0.028 0.000 1.045 6306 Y HN -0.031 nan 8.280 nan 0.000 0.538 6307 L N -0.153 121.104 121.223 0.057 0.000 2.309 6307 L HA 0.410 4.750 4.340 -0.000 0.000 0.261 6307 L C -0.448 176.347 176.870 -0.125 0.000 1.021 6307 L CA -1.158 53.649 54.840 -0.055 0.000 0.823 6307 L CB 1.647 43.690 42.059 -0.028 0.000 1.366 6307 L HN -0.152 nan 8.230 nan 0.000 0.423 6308 M N 2.784 122.250 119.600 -0.224 0.000 3.117 6308 M HA 0.247 4.727 4.480 -0.000 0.000 0.292 6308 M C -0.636 175.578 176.300 -0.143 0.000 1.357 6308 M CA -0.432 54.735 55.300 -0.221 0.000 1.463 6308 M CB -0.050 32.330 32.600 -0.367 0.000 1.105 6308 M HN 0.110 nan 8.290 nan 0.000 0.553 6309 V N 4.776 124.637 119.914 -0.089 0.000 2.637 6309 V HA 0.362 4.482 4.120 -0.000 0.000 0.296 6309 V C 0.466 176.530 176.094 -0.051 0.000 1.046 6309 V CA -0.240 62.025 62.300 -0.059 0.000 1.066 6309 V CB 0.649 32.450 31.823 -0.037 0.000 0.968 6309 V HN 0.755 nan 8.190 nan 0.000 0.483 6310 I N 1.031 121.575 120.570 -0.044 0.000 2.969 6310 I HA 0.731 4.901 4.170 -0.000 0.000 0.307 6310 I C -0.722 175.378 176.117 -0.028 0.000 1.149 6310 I CA -1.011 60.268 61.300 -0.035 0.000 1.008 6310 I CB 2.636 40.614 38.000 -0.037 0.000 1.232 6310 I HN 0.499 nan 8.210 nan 0.000 0.435 6311 E N 4.184 124.372 120.200 -0.020 0.000 2.175 6311 E HA 0.661 5.011 4.350 -0.000 0.000 0.278 6311 E C -1.135 175.453 176.600 -0.019 0.000 0.969 6311 E CA -0.621 55.770 56.400 -0.014 0.000 0.796 6311 E CB 2.683 32.382 29.700 -0.001 0.000 1.104 6311 E HN 0.452 nan 8.360 nan 0.000 0.395 6312 I N 3.679 124.234 120.570 -0.025 0.000 2.499 6312 I HA 0.247 4.417 4.170 -0.000 0.000 0.288 6312 I C -2.459 173.646 176.117 -0.020 0.000 1.048 6312 I CA -2.605 58.675 61.300 -0.034 0.000 1.062 6312 I CB 2.343 40.306 38.000 -0.062 0.000 1.238 6312 I HN 0.196 nan 8.210 nan 0.000 0.426 6313 P HA 0.135 nan 4.420 nan 0.000 0.273 6313 P C -0.534 176.768 177.300 0.003 0.000 1.319 6313 P CA 0.054 63.158 63.100 0.008 0.000 0.885 6313 P CB 0.390 32.089 31.700 -0.003 0.000 1.015 6314 V N 3.643 123.580 119.914 0.039 0.000 2.837 6314 V HA 0.213 4.333 4.120 -0.000 0.000 0.310 6314 V C 0.682 176.838 176.094 0.103 0.000 1.059 6314 V CA -0.834 61.493 62.300 0.045 0.000 1.004 6314 V CB 1.449 33.300 31.823 0.047 0.000 1.045 6314 V HN 0.347 nan 8.190 nan 0.000 0.465 6315 Q N 1.439 121.281 119.800 0.070 0.000 2.315 6315 Q HA 0.162 4.502 4.340 -0.000 0.000 0.289 6315 Q C 0.653 176.713 176.000 0.100 0.000 1.044 6315 Q CA 0.912 56.745 55.803 0.051 0.000 0.920 6315 Q CB 1.030 29.778 28.738 0.017 0.000 1.214 6315 Q HN 0.975 nan 8.270 nan 0.000 0.392 6316 G N 1.979 110.818 108.800 0.065 0.000 2.608 6316 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.212 6316 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.212 6316 G C -0.602 174.357 174.900 0.099 0.000 1.572 6316 G CA -0.419 44.784 45.100 0.173 0.000 1.064 6316 G HN 0.731 nan 8.290 nan 0.000 0.556 6317 W N 1.714 123.247 121.300 0.390 0.000 1.818 6317 W HA 0.277 4.937 4.660 -0.000 0.000 0.334 6317 W C 0.033 176.757 176.519 0.340 0.000 0.753 6317 W CA -0.343 57.157 57.345 0.259 0.000 1.826 6317 W CB -0.637 28.856 29.460 0.054 0.000 2.001 6317 W HN 0.588 nan 8.180 nan 0.000 0.324 6318 D N 2.843 123.430 120.400 0.310 0.000 2.737 6318 D HA -0.261 4.379 4.640 -0.000 0.000 0.238 6318 D C -0.256 176.260 176.300 0.360 0.000 1.157 6318 D CA 1.388 55.535 54.000 0.245 0.000 0.694 6318 D CB -1.047 39.854 40.800 0.167 0.000 1.021 6318 D HN 0.599 nan 8.370 nan 0.000 0.420 6319 H N -1.407 117.707 119.070 0.073 0.000 3.287 6319 H HA 0.366 4.922 4.556 -0.000 0.000 0.279 6319 H C 1.028 176.383 175.328 0.044 0.000 1.357 6319 H CA -0.021 56.064 56.048 0.062 0.000 1.444 6319 H CB -0.513 29.296 29.762 0.078 0.000 2.345 6319 H HN 0.179 nan 8.280 nan 0.000 0.651 6320 G N 1.596 110.360 108.800 -0.061 0.000 2.271 6320 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.277 6320 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.277 6320 G C 0.343 175.121 174.900 -0.203 0.000 1.004 6320 G CA 1.495 46.532 45.100 -0.104 0.000 0.679 6320 G HN 0.750 nan 8.290 nan 0.000 0.540 6321 T N 0.450 114.752 114.554 -0.421 0.000 2.918 6321 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 6321 T C 0.440 174.983 174.700 -0.261 0.000 1.001 6321 T CA 0.567 62.419 62.100 -0.412 0.000 1.041 6321 T CB 1.648 70.126 68.868 -0.650 0.000 1.028 6321 T HN 0.877 nan 8.240 nan 0.000 0.511 6322 T N 0.156 114.561 114.554 -0.248 0.000 2.971 6322 T HA 0.469 4.819 4.350 -0.000 0.000 0.304 6322 T C -1.183 173.388 174.700 -0.214 0.000 1.038 6322 T CA -0.927 61.090 62.100 -0.138 0.000 1.007 6322 T CB 1.037 69.865 68.868 -0.067 0.000 1.055 6322 T HN 0.533 nan 8.240 nan 0.000 0.451 6323 H N 1.956 121.132 119.070 0.177 0.000 2.533 6323 H HA 0.569 5.125 4.556 -0.000 0.000 0.343 6323 H C -0.804 174.622 175.328 0.163 0.000 1.160 6323 H CA -0.835 55.351 56.048 0.230 0.000 1.218 6323 H CB 2.079 32.111 29.762 0.451 0.000 1.566 6323 H HN 0.498 nan 8.280 nan 0.000 0.522 6324 L N 3.535 124.913 121.223 0.258 0.000 2.264 6324 L HA 0.346 4.686 4.340 -0.000 0.000 0.289 6324 L C -0.547 176.388 176.870 0.109 0.000 1.044 6324 L CA -0.017 54.902 54.840 0.132 0.000 0.807 6324 L CB 0.003 42.117 42.059 0.093 0.000 1.192 6324 L HN 0.396 nan 8.230 nan 0.000 0.425 6325 I N 3.137 123.721 120.570 0.023 0.000 2.910 6325 I HA 0.391 4.561 4.170 -0.000 0.000 0.310 6325 I C -0.103 175.992 176.117 -0.037 0.000 1.043 6325 I CA -0.872 60.401 61.300 -0.044 0.000 1.053 6325 I CB 1.782 39.666 38.000 -0.193 0.000 1.242 6325 I HN 0.495 nan 8.210 nan 0.000 0.452 6326 N N 2.100 120.778 118.700 -0.036 0.000 2.455 6326 N HA 0.625 5.365 4.740 -0.000 0.000 0.280 6326 N C -0.953 174.536 175.510 -0.034 0.000 1.055 6326 N CA -0.341 52.692 53.050 -0.029 0.000 0.961 6326 N CB 1.575 40.050 38.487 -0.021 0.000 1.121 6326 N HN 0.679 nan 8.380 nan 0.000 0.476 6327 A N 1.241 124.040 122.820 -0.036 0.000 2.486 6327 A HA 0.722 5.042 4.320 -0.000 0.000 0.300 6327 A C -1.035 176.526 177.584 -0.038 0.000 1.048 6327 A CA -0.660 51.356 52.037 -0.035 0.000 0.696 6327 A CB 1.410 20.380 19.000 -0.051 0.000 1.278 6327 A HN 0.640 nan 8.150 nan 0.000 0.405 6328 A N 2.137 124.938 122.820 -0.032 0.000 2.301 6328 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 6328 A C 0.232 177.786 177.584 -0.049 0.000 1.185 6328 A CA -0.522 51.484 52.037 -0.052 0.000 0.830 6328 A CB 0.375 19.351 19.000 -0.039 0.000 1.112 6328 A HN 0.635 nan 8.150 nan 0.000 0.508 6329 K N 2.133 122.478 120.400 -0.092 0.000 2.350 6329 K HA 0.266 4.586 4.320 -0.000 0.000 0.279 6329 K C -0.786 175.836 176.600 0.037 0.000 1.027 6329 K CA 0.245 56.505 56.287 -0.045 0.000 0.969 6329 K CB 0.268 32.719 32.500 -0.081 0.000 0.954 6329 K HN 0.672 nan 8.250 nan 0.000 0.474 6330 L N 3.126 124.436 121.223 0.145 0.000 2.307 6330 L HA 0.139 4.479 4.340 -0.000 0.000 0.282 6330 L C 0.634 177.716 176.870 0.353 0.000 1.051 6330 L CA -0.750 54.239 54.840 0.249 0.000 0.804 6330 L CB 1.160 43.316 42.059 0.161 0.000 1.197 6330 L HN 0.606 nan 8.230 nan 0.000 0.431 6331 D N 2.336 122.993 120.400 0.427 0.000 2.390 6331 D HA 0.019 4.659 4.640 -0.000 0.000 0.236 6331 D C -0.278 176.040 176.300 0.031 0.000 1.189 6331 D CA 0.034 54.068 54.000 0.057 0.000 0.887 6331 D CB 0.751 41.558 40.800 0.011 0.000 1.198 6331 D HN 0.550 nan 8.370 nan 0.000 0.444 6332 E N 0.248 120.419 120.200 -0.049 0.000 2.202 6332 E HA 0.601 4.951 4.350 -0.000 0.000 0.272 6332 E C -0.832 175.748 176.600 -0.033 0.000 0.951 6332 E CA -1.366 55.018 56.400 -0.027 0.000 0.813 6332 E CB 1.228 30.913 29.700 -0.025 0.000 1.151 6332 E HN 0.386 nan 8.360 nan 0.000 0.398 6333 A N 2.931 125.727 122.820 -0.040 0.000 2.573 6333 A HA -0.066 4.254 4.320 -0.000 0.000 0.250 6333 A C 0.230 177.798 177.584 -0.028 0.000 1.049 6333 A CA 0.531 52.541 52.037 -0.044 0.000 0.767 6333 A CB -0.715 18.254 19.000 -0.053 0.000 0.965 6333 A HN 0.802 nan 8.150 nan 0.000 0.514 6334 N N 1.438 120.129 118.700 -0.014 0.000 2.240 6334 N HA 0.197 4.937 4.740 -0.000 0.000 0.240 6334 N C -0.753 174.738 175.510 -0.033 0.000 1.277 6334 N CA -0.301 52.755 53.050 0.009 0.000 0.873 6334 N CB -0.104 38.424 38.487 0.069 0.000 1.222 6334 N HN 0.455 nan 8.380 nan 0.000 0.507 6335 L N 1.246 122.402 121.223 -0.111 0.000 2.360 6335 L HA 0.409 4.749 4.340 -0.000 0.000 0.276 6335 L C -1.997 174.765 176.870 -0.179 0.000 1.121 6335 L CA -1.721 52.965 54.840 -0.257 0.000 0.845 6335 L CB 0.524 42.456 42.059 -0.212 0.000 1.143 6335 L HN -0.036 nan 8.230 nan 0.000 0.452 6336 P HA 0.020 nan 4.420 nan 0.000 0.269 6336 P C 0.173 177.418 177.300 -0.091 0.000 1.209 6336 P CA -0.318 62.716 63.100 -0.110 0.000 0.776 6336 P CB 0.738 32.379 31.700 -0.099 0.000 0.876 6337 K N 3.083 123.453 120.400 -0.050 0.000 2.077 6337 K HA -0.245 4.075 4.320 -0.000 0.000 0.213 6337 K C 1.593 178.174 176.600 -0.031 0.000 1.051 6337 K CA 2.241 58.510 56.287 -0.030 0.000 0.929 6337 K CB -0.671 31.821 32.500 -0.014 0.000 0.715 6337 K HN 0.640 nan 8.250 nan 0.000 0.451 6338 E N -0.020 120.157 120.200 -0.037 0.000 2.396 6338 E HA -0.155 4.195 4.350 -0.000 0.000 0.200 6338 E C 1.229 177.799 176.600 -0.049 0.000 1.023 6338 E CA 1.437 57.816 56.400 -0.034 0.000 0.857 6338 E CB -0.423 29.257 29.700 -0.033 0.000 0.775 6338 E HN 0.657 nan 8.360 nan 0.000 0.525 6339 I N -2.995 117.529 120.570 -0.077 0.000 3.994 6339 I HA 0.347 4.517 4.170 -0.000 0.000 0.323 6339 I C -0.188 175.880 176.117 -0.081 0.000 1.501 6339 I CA -0.853 60.389 61.300 -0.097 0.000 1.112 6339 I CB 0.364 38.259 38.000 -0.174 0.000 1.254 6339 I HN -0.168 nan 8.210 nan 0.000 0.495 6340 N N 2.053 120.724 118.700 -0.049 0.000 2.527 6340 N HA 0.407 5.147 4.740 -0.000 0.000 0.236 6340 N C 0.424 175.956 175.510 0.036 0.000 0.999 6340 N CA -0.303 52.736 53.050 -0.019 0.000 0.935 6340 N CB 1.192 39.663 38.487 -0.026 0.000 1.132 6340 N HN 0.378 nan 8.380 nan 0.000 0.511 6341 L N 2.534 123.796 121.223 0.064 0.000 2.313 6341 L HA -0.007 4.332 4.340 -0.000 0.000 0.214 6341 L C 1.768 178.740 176.870 0.171 0.000 1.119 6341 L CA 0.400 55.312 54.840 0.120 0.000 0.809 6341 L CB 0.097 42.243 42.059 0.144 0.000 0.933 6341 L HN 0.362 nan 8.230 nan 0.000 0.449 6342 V N -0.554 119.450 119.914 0.149 0.000 2.427 6342 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 6342 V C 1.968 178.222 176.094 0.268 0.000 1.051 6342 V CA 1.646 64.086 62.300 0.234 0.000 1.048 6342 V CB -0.512 31.417 31.823 0.178 0.000 0.666 6342 V HN 0.404 nan 8.190 nan 0.000 0.456 6343 D N 0.230 120.727 120.400 0.163 0.000 2.097 6343 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 6343 D C 1.941 178.356 176.300 0.191 0.000 0.984 6343 D CA 1.372 55.462 54.000 0.152 0.000 0.826 6343 D CB -0.360 40.486 40.800 0.078 0.000 0.973 6343 D HN 0.371 nan 8.370 nan 0.000 0.460 6344 D N -0.491 120.001 120.400 0.153 0.000 2.117 6344 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 6344 D C 1.906 178.282 176.300 0.127 0.000 0.987 6344 D CA 0.673 54.743 54.000 0.118 0.000 0.829 6344 D CB -0.489 40.367 40.800 0.095 0.000 0.961 6344 D HN 0.299 nan 8.370 nan 0.000 0.460 6345 Y N -0.276 120.067 120.300 0.072 0.000 2.224 6345 Y HA -0.226 4.324 4.550 -0.000 0.000 0.289 6345 Y C 2.128 177.990 175.900 -0.064 0.000 1.146 6345 Y CA 1.052 59.181 58.100 0.049 0.000 1.182 6345 Y CB -0.186 38.367 38.460 0.156 0.000 0.983 6345 Y HN -0.102 nan 8.280 nan 0.000 0.524 6346 F N 1.153 121.078 119.950 -0.042 0.000 2.134 6346 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 6346 F C 2.172 177.869 175.800 -0.171 0.000 1.097 6346 F CA 1.784 59.550 58.000 -0.391 0.000 1.264 6346 F CB -0.290 38.488 39.000 -0.369 0.000 1.001 6346 F HN 0.009 nan 8.300 nan 0.000 0.479 6347 E N 0.242 120.425 120.200 -0.029 0.000 2.153 6347 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 6347 E C 2.251 178.782 176.600 -0.114 0.000 0.988 6347 E CA 0.904 57.270 56.400 -0.057 0.000 0.811 6347 E CB -0.651 29.070 29.700 0.035 0.000 0.746 6347 E HN 0.347 nan 8.360 nan 0.000 0.466 6348 L N 0.464 121.583 121.223 -0.173 0.000 1.994 6348 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 6348 L C 2.682 179.445 176.870 -0.179 0.000 1.071 6348 L CA 1.506 56.210 54.840 -0.227 0.000 0.745 6348 L CB -1.375 40.442 42.059 -0.403 0.000 0.892 6348 L HN 0.100 nan 8.230 nan 0.000 0.431 6349 V N -3.509 116.254 119.914 -0.252 0.000 2.490 6349 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 6349 V C 2.316 178.386 176.094 -0.040 0.000 1.061 6349 V CA 1.278 63.509 62.300 -0.115 0.000 1.064 6349 V CB -0.776 30.890 31.823 -0.261 0.000 0.670 6349 V HN 0.482 nan 8.190 nan 0.000 0.461 6350 Q N 0.156 119.837 119.800 -0.198 0.000 2.084 6350 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 6350 Q C 2.250 178.302 176.000 0.086 0.000 0.978 6350 Q CA 2.582 58.333 55.803 -0.086 0.000 0.844 6350 Q CB -0.336 28.259 28.738 -0.239 0.000 0.898 6350 Q HN 0.968 nan 8.270 nan 0.000 0.426 6351 H N 0.130 119.175 119.070 -0.041 0.000 2.317 6351 H HA -0.025 4.531 4.556 -0.000 0.000 0.304 6351 H C 1.717 177.054 175.328 0.014 0.000 1.067 6351 H CA 0.904 56.940 56.048 -0.019 0.000 1.352 6351 H CB 0.477 30.217 29.762 -0.036 0.000 1.398 6351 H HN 0.055 nan 8.280 nan 0.000 0.510 6352 E N 0.141 120.516 120.200 0.292 0.000 2.267 6352 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 6352 E C 1.613 178.350 176.600 0.228 0.000 0.998 6352 E CA 0.650 57.214 56.400 0.273 0.000 0.830 6352 E CB -0.246 29.600 29.700 0.244 0.000 0.751 6352 E HN 0.623 nan 8.360 nan 0.000 0.491 6353 Y N 1.600 121.838 120.300 -0.104 0.000 2.206 6353 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 6353 Y C 1.983 177.816 175.900 -0.112 0.000 1.123 6353 Y CA 1.328 59.188 58.100 -0.400 0.000 1.142 6353 Y CB -0.013 38.145 38.460 -0.504 0.000 1.006 6353 Y HN -0.157 nan 8.280 nan 0.000 0.518 6354 K N 0.314 120.582 120.400 -0.221 0.000 2.147 6354 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 6354 K C 2.021 178.503 176.600 -0.196 0.000 1.049 6354 K CA 1.555 57.664 56.287 -0.297 0.000 0.936 6354 K CB -0.135 32.235 32.500 -0.217 0.000 0.722 6354 K HN 0.187 nan 8.250 nan 0.000 0.446 6355 K N -0.029 120.329 120.400 -0.069 0.000 2.487 6355 K HA -0.117 4.203 4.320 -0.000 0.000 0.192 6355 K C 1.335 177.974 176.600 0.065 0.000 1.027 6355 K CA 0.350 56.642 56.287 0.008 0.000 1.054 6355 K CB 0.162 32.729 32.500 0.112 0.000 0.824 6355 K HN 0.345 nan 8.250 nan 0.000 0.510 6356 W N 1.370 122.571 121.300 -0.164 0.000 2.762 6356 W HA 0.007 4.667 4.660 -0.000 0.000 0.265 6356 W C 1.085 177.499 176.519 -0.176 0.000 1.263 6356 W CA 0.386 57.664 57.345 -0.112 0.000 1.411 6356 W CB 0.296 29.703 29.460 -0.088 0.000 1.065 6356 W HN 0.110 nan 8.180 nan 0.000 0.609 6357 Q N 0.671 120.370 119.800 -0.169 0.000 2.062 6357 Q HA -0.132 4.208 4.340 -0.000 0.000 0.196 6357 Q C 1.879 177.760 176.000 -0.197 0.000 0.967 6357 Q CA 1.554 57.220 55.803 -0.228 0.000 0.832 6357 Q CB -0.327 28.207 28.738 -0.340 0.000 0.899 6357 Q HN 0.327 nan 8.270 nan 0.000 0.442 6358 E N 0.769 120.865 120.200 -0.174 0.000 2.204 6358 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 6358 E C 1.507 178.022 176.600 -0.141 0.000 0.989 6358 E CA 0.769 57.087 56.400 -0.137 0.000 0.824 6358 E CB -0.007 29.625 29.700 -0.115 0.000 0.756 6358 E HN 0.272 nan 8.360 nan 0.000 0.477 6359 N N 0.631 119.228 118.700 -0.172 0.000 2.207 6359 N HA -0.095 4.644 4.740 -0.000 0.000 0.182 6359 N C 1.518 176.872 175.510 -0.260 0.000 1.020 6359 N CA 1.223 54.154 53.050 -0.197 0.000 0.858 6359 N CB -0.064 38.297 38.487 -0.210 0.000 0.991 6359 N HN 0.043 nan 8.380 nan 0.000 0.427 6360 S N 0.244 115.728 115.700 -0.360 0.000 2.805 6360 S HA 0.016 4.486 4.470 -0.000 0.000 0.230 6360 S C 0.783 175.267 174.600 -0.194 0.000 0.968 6360 S CA 0.345 58.340 58.200 -0.342 0.000 0.976 6360 S CB -0.513 62.449 63.200 -0.396 0.000 0.787 6360 S HN 0.281 nan 8.310 nan 0.000 0.533 6361 E N 0.672 120.777 120.200 -0.158 0.000 2.445 6361 E HA 0.109 4.459 4.350 -0.000 0.000 0.189 6361 E C 0.563 177.107 176.600 -0.092 0.000 1.069 6361 E CA 0.034 56.370 56.400 -0.108 0.000 0.871 6361 E CB 0.212 29.855 29.700 -0.094 0.000 0.991 6361 E HN 0.750 nan 8.360 nan 0.000 0.481 6362 Q N 0.000 119.736 119.800 -0.107 0.000 2.315 6362 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 6362 Q CA 0.000 55.752 55.803 -0.086 0.000 1.022 6362 Q CB 0.000 28.684 28.738 -0.091 0.000 1.108 6362 Q HN 0.000 nan 8.270 nan 0.000 0.481