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 1vsy_1_T DATA FIRST_RESID 6001 DATA SEQUENCE MFRNNYDGDT VTFSPTGRLF QVEYALEAIK QGSVTVGLRS NTHAVLVALK DATA SEQUENCE RNADELSSYQ KKIIKCDEHM GLSLAGLAPD ARVLSNYLRQ QCNYSSLVFN DATA SEQUENCE RKLAVERAGH LLCDKAQKNT QSYGGRPYGV GLLIIGYDKS GAHLLEFQPS DATA SEQUENCE GNVTELYGTA IGARSQGAKT YLERTLDTFI KIDGNPDELI KAGVEAISQS DATA SEQUENCE LRDESLTVDN LSIAIVGKDT PFTIYDGEAV AKYI 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 6001 M HA 0.000 nan 4.480 nan 0.000 0.227 6001 M C 0.000 175.879 176.300 -0.701 0.000 1.140 6001 M CA 0.000 54.994 55.300 -0.511 0.000 0.988 6001 M CB 0.000 32.507 32.600 -0.155 0.000 1.302 6002 F N 0.898 120.842 119.950 -0.010 0.000 2.564 6002 F HA 0.688 5.215 4.527 0.000 0.000 0.368 6002 F C 0.224 176.013 175.800 -0.019 0.000 1.127 6002 F CA -0.425 57.570 58.000 -0.008 0.000 1.170 6002 F CB 1.167 40.164 39.000 -0.004 0.000 1.397 6002 F HN 0.476 nan 8.300 nan 0.000 0.493 6003 R N 1.110 121.668 120.500 0.096 0.000 2.615 6003 R HA 0.285 4.625 4.340 0.000 0.000 0.270 6003 R C -0.257 176.067 176.300 0.039 0.000 1.081 6003 R CA -0.472 55.654 56.100 0.044 0.000 1.154 6003 R CB 0.603 30.904 30.300 0.003 0.000 1.063 6003 R HN 0.364 nan 8.270 nan 0.000 0.519 6004 N N 0.364 119.061 118.700 -0.004 0.000 2.342 6004 N HA 0.173 4.913 4.740 0.000 0.000 0.293 6004 N C -0.691 174.783 175.510 -0.060 0.000 1.026 6004 N CA -0.348 52.683 53.050 -0.033 0.000 0.857 6004 N CB 1.310 39.727 38.487 -0.116 0.000 1.256 6004 N HN 0.555 nan 8.380 nan 0.000 0.484 6005 N N 1.634 120.266 118.700 -0.114 0.000 2.322 6005 N HA 0.037 4.777 4.740 0.000 0.000 0.181 6005 N C -0.182 175.085 175.510 -0.407 0.000 1.088 6005 N CA 0.337 53.187 53.050 -0.334 0.000 0.885 6005 N CB 0.749 38.885 38.487 -0.585 0.000 1.013 6005 N HN 0.504 nan 8.380 nan 0.000 0.472 6006 Y N 0.632 120.970 120.300 0.064 0.000 2.681 6006 Y HA 0.159 4.709 4.550 0.000 0.000 0.267 6006 Y C 0.566 176.547 175.900 0.136 0.000 1.166 6006 Y CA -0.453 57.721 58.100 0.124 0.000 1.209 6006 Y CB 0.197 38.781 38.460 0.207 0.000 1.161 6006 Y HN 0.082 nan 8.280 nan 0.000 0.534 6007 D N -1.569 118.911 120.400 0.134 0.000 2.462 6007 D HA 0.128 4.768 4.640 0.000 0.000 0.221 6007 D C 1.629 177.973 176.300 0.074 0.000 1.173 6007 D CA 0.231 54.280 54.000 0.082 0.000 0.831 6007 D CB -0.063 40.756 40.800 0.032 0.000 1.001 6007 D HN 0.311 nan 8.370 nan 0.000 0.499 6008 G N 0.875 109.709 108.800 0.057 0.000 2.404 6008 G HA2 -0.057 3.903 3.960 0.000 0.000 0.215 6008 G HA3 -0.057 3.903 3.960 0.000 0.000 0.215 6008 G C 0.333 175.245 174.900 0.020 0.000 1.174 6008 G CA 1.329 46.451 45.100 0.037 0.000 0.780 6008 G HN 0.528 nan 8.290 nan 0.000 0.537 6009 D N -3.169 117.242 120.400 0.019 0.000 2.895 6009 D HA 0.347 4.987 4.640 0.000 0.000 0.320 6009 D C 0.488 176.771 176.300 -0.029 0.000 1.249 6009 D CA -0.026 53.961 54.000 -0.021 0.000 0.997 6009 D CB 0.109 40.882 40.800 -0.046 0.000 1.430 6009 D HN -0.105 nan 8.370 nan 0.000 0.558 6010 T N -1.296 113.227 114.554 -0.052 0.000 3.060 6010 T HA 0.110 4.460 4.350 0.000 0.000 0.249 6010 T C 1.305 175.951 174.700 -0.091 0.000 1.079 6010 T CA -0.015 62.035 62.100 -0.084 0.000 1.013 6010 T CB 0.110 68.928 68.868 -0.083 0.000 0.975 6010 T HN 0.183 nan 8.240 nan 0.000 0.518 6011 V N 2.186 122.094 119.914 -0.010 0.000 3.577 6011 V HA 0.198 4.318 4.120 0.000 0.000 0.294 6011 V C 0.087 176.186 176.094 0.009 0.000 1.317 6011 V CA 0.718 63.029 62.300 0.019 0.000 1.169 6011 V CB -0.474 31.437 31.823 0.147 0.000 1.011 6011 V HN 0.415 nan 8.190 nan 0.000 0.426 6012 T N 0.654 115.194 114.554 -0.024 0.000 2.847 6012 T HA 0.423 4.773 4.350 0.000 0.000 0.291 6012 T C -0.774 173.941 174.700 0.024 0.000 0.998 6012 T CA -0.193 61.944 62.100 0.060 0.000 0.967 6012 T CB 0.869 69.819 68.868 0.136 0.000 0.954 6012 T HN 0.003 nan 8.240 nan 0.000 0.441 6013 F N 3.118 123.108 119.950 0.066 0.000 2.445 6013 F HA 0.378 4.905 4.527 0.000 0.000 0.359 6013 F C 1.342 177.124 175.800 -0.029 0.000 1.101 6013 F CA -0.378 57.621 58.000 -0.003 0.000 1.177 6013 F CB 0.934 39.915 39.000 -0.031 0.000 1.110 6013 F HN 0.492 nan 8.300 nan 0.000 0.522 6014 S N 5.959 121.747 115.700 0.146 0.000 2.568 6014 S HA 0.122 4.592 4.470 0.000 0.000 0.282 6014 S C -1.515 172.959 174.600 -0.211 0.000 1.338 6014 S CA -1.016 57.137 58.200 -0.079 0.000 1.045 6014 S CB 0.982 64.189 63.200 0.011 0.000 0.873 6014 S HN 0.418 nan 8.310 nan 0.000 0.516 6015 P HA -0.088 nan 4.420 nan 0.000 0.217 6015 P C 1.092 178.294 177.300 -0.164 0.000 1.148 6015 P CA 1.526 64.443 63.100 -0.305 0.000 0.828 6015 P CB -0.299 31.206 31.700 -0.325 0.000 0.783 6016 T N -4.048 110.431 114.554 -0.124 0.000 3.148 6016 T HA 0.319 4.669 4.350 0.000 0.000 0.253 6016 T C 1.343 175.983 174.700 -0.099 0.000 1.134 6016 T CA 0.515 62.562 62.100 -0.088 0.000 1.051 6016 T CB -0.503 68.333 68.868 -0.053 0.000 0.959 6016 T HN 0.269 nan 8.240 nan 0.000 0.525 6017 G N 1.758 110.498 108.800 -0.100 0.000 2.167 6017 G HA2 -0.176 3.784 3.960 0.000 0.000 0.194 6017 G HA3 -0.176 3.784 3.960 0.000 0.000 0.194 6017 G C -0.203 174.743 174.900 0.076 0.000 1.027 6017 G CA -0.884 44.169 45.100 -0.079 0.000 0.717 6017 G HN 0.574 nan 8.290 nan 0.000 0.501 6018 R N -0.709 119.798 120.500 0.012 0.000 2.599 6018 R HA 0.675 5.015 4.340 0.000 0.000 0.295 6018 R C -0.214 175.926 176.300 -0.267 0.000 0.963 6018 R CA -0.879 55.096 56.100 -0.208 0.000 0.883 6018 R CB 1.763 31.721 30.300 -0.570 0.000 1.171 6018 R HN 0.135 nan 8.270 nan 0.000 0.450 6019 L N 3.713 124.751 121.223 -0.307 0.000 2.270 6019 L HA 0.245 4.585 4.340 0.000 0.000 0.286 6019 L C 0.401 177.069 176.870 -0.337 0.000 1.059 6019 L CA -0.183 54.458 54.840 -0.332 0.000 0.839 6019 L CB 0.357 42.201 42.059 -0.358 0.000 1.221 6019 L HN 0.680 nan 8.230 nan 0.000 0.431 6020 F N 0.845 120.640 119.950 -0.258 0.000 2.186 6020 F HA -0.183 4.344 4.527 0.000 0.000 0.299 6020 F C 2.412 177.770 175.800 -0.737 0.000 1.090 6020 F CA 1.017 58.718 58.000 -0.497 0.000 1.307 6020 F CB -0.056 38.636 39.000 -0.515 0.000 1.019 6020 F HN 0.529 nan 8.300 nan 0.000 0.489 6021 Q N 0.291 119.914 119.800 -0.294 0.000 2.308 6021 Q HA -0.139 4.201 4.340 0.000 0.000 0.209 6021 Q C 1.946 177.866 176.000 -0.133 0.000 0.985 6021 Q CA 1.403 57.074 55.803 -0.219 0.000 0.881 6021 Q CB -0.407 28.272 28.738 -0.098 0.000 0.917 6021 Q HN 0.292 nan 8.270 nan 0.000 0.443 6022 V N -0.029 119.794 119.914 -0.151 0.000 2.379 6022 V HA -0.137 3.983 4.120 0.000 0.000 0.243 6022 V C 1.849 177.916 176.094 -0.046 0.000 1.035 6022 V CA 1.689 63.936 62.300 -0.088 0.000 1.035 6022 V CB -0.364 31.392 31.823 -0.112 0.000 0.673 6022 V HN 0.390 nan 8.190 nan 0.000 0.457 6023 E N -0.361 119.792 120.200 -0.079 0.000 2.160 6023 E HA -0.242 4.108 4.350 0.000 0.000 0.195 6023 E C 2.137 178.860 176.600 0.204 0.000 0.991 6023 E CA 1.536 57.953 56.400 0.028 0.000 0.810 6023 E CB -0.200 29.514 29.700 0.024 0.000 0.742 6023 E HN 0.628 nan 8.360 nan 0.000 0.466 6024 Y N 0.311 120.656 120.300 0.075 0.000 2.263 6024 Y HA -0.013 4.537 4.550 0.000 0.000 0.292 6024 Y C 2.399 178.316 175.900 0.029 0.000 1.130 6024 Y CA 0.396 58.532 58.100 0.059 0.000 1.179 6024 Y CB -0.997 37.499 38.460 0.061 0.000 0.998 6024 Y HN 0.021 nan 8.280 nan 0.000 0.532 6025 A N -0.171 122.751 122.820 0.170 0.000 1.898 6025 A HA -0.111 4.209 4.320 0.000 0.000 0.216 6025 A C 2.157 179.780 177.584 0.065 0.000 1.181 6025 A CA 1.019 53.112 52.037 0.094 0.000 0.620 6025 A CB -0.977 18.057 19.000 0.057 0.000 0.819 6025 A HN 0.296 nan 8.150 nan 0.000 0.442 6026 L N 0.014 121.265 121.223 0.047 0.000 2.263 6026 L HA -0.126 4.214 4.340 0.000 0.000 0.216 6026 L C 1.839 178.732 176.870 0.039 0.000 1.111 6026 L CA 1.739 56.590 54.840 0.019 0.000 0.773 6026 L CB -0.828 41.233 42.059 0.003 0.000 0.906 6026 L HN 0.366 nan 8.230 nan 0.000 0.439 6027 E N -1.242 119.000 120.200 0.069 0.000 2.385 6027 E HA 0.106 4.456 4.350 0.000 0.000 0.194 6027 E C 2.112 178.738 176.600 0.043 0.000 1.013 6027 E CA 0.793 57.228 56.400 0.058 0.000 0.866 6027 E CB 0.142 29.884 29.700 0.070 0.000 0.832 6027 E HN 0.464 nan 8.360 nan 0.000 0.500 6028 A N 1.014 123.863 122.820 0.048 0.000 2.015 6028 A HA -0.085 4.235 4.320 0.000 0.000 0.219 6028 A C 2.205 179.812 177.584 0.039 0.000 1.163 6028 A CA 0.459 52.520 52.037 0.041 0.000 0.646 6028 A CB -0.465 18.563 19.000 0.048 0.000 0.806 6028 A HN 0.158 nan 8.150 nan 0.000 0.448 6029 I N -0.381 120.212 120.570 0.039 0.000 2.087 6029 I HA -0.341 3.829 4.170 0.000 0.000 0.240 6029 I C 2.242 178.378 176.117 0.032 0.000 1.054 6029 I CA 1.951 63.274 61.300 0.038 0.000 1.311 6029 I CB -0.249 37.767 38.000 0.027 0.000 1.024 6029 I HN 0.253 nan 8.210 nan 0.000 0.402 6030 K N 0.189 120.605 120.400 0.028 0.000 2.574 6030 K HA -0.141 4.179 4.320 0.000 0.000 0.193 6030 K C 1.719 178.331 176.600 0.020 0.000 1.035 6030 K CA 0.542 56.843 56.287 0.023 0.000 0.982 6030 K CB 0.061 32.574 32.500 0.021 0.000 0.795 6030 K HN 0.286 nan 8.250 nan 0.000 0.491 6031 Q N -0.511 119.302 119.800 0.021 0.000 2.403 6031 Q HA 0.094 4.434 4.340 0.000 0.000 0.203 6031 Q C 0.609 176.620 176.000 0.019 0.000 0.932 6031 Q CA 0.302 56.114 55.803 0.016 0.000 0.945 6031 Q CB 1.054 29.800 28.738 0.014 0.000 1.045 6031 Q HN 0.275 nan 8.270 nan 0.000 0.511 6032 G N -0.140 108.675 108.800 0.025 0.000 2.568 6032 G HA2 0.362 4.322 3.960 0.000 0.000 0.313 6032 G HA3 0.362 4.322 3.960 0.000 0.000 0.313 6032 G C -0.593 174.323 174.900 0.027 0.000 1.227 6032 G CA -0.353 44.764 45.100 0.027 0.000 0.979 6032 G HN 0.064 nan 8.290 nan 0.000 0.486 6033 S N -1.402 114.316 115.700 0.029 0.000 2.563 6033 S HA 0.060 4.530 4.470 0.000 0.000 0.269 6033 S C 0.528 175.144 174.600 0.027 0.000 1.364 6033 S CA -0.081 58.137 58.200 0.030 0.000 1.010 6033 S CB 0.853 64.076 63.200 0.038 0.000 0.877 6033 S HN 1.288 nan 8.310 nan 0.000 0.549 6034 V N 2.766 122.692 119.914 0.021 0.000 2.546 6034 V HA 0.617 4.737 4.120 0.000 0.000 0.284 6034 V C 0.238 176.338 176.094 0.009 0.000 1.050 6034 V CA 0.305 62.614 62.300 0.014 0.000 0.981 6034 V CB 1.170 32.995 31.823 0.005 0.000 0.990 6034 V HN 1.056 nan 8.190 nan 0.000 0.474 6035 T N 4.799 119.359 114.554 0.010 0.000 2.906 6035 T HA 0.706 5.056 4.350 0.000 0.000 0.295 6035 T C -1.300 173.398 174.700 -0.003 0.000 1.061 6035 T CA -0.385 61.717 62.100 0.004 0.000 1.000 6035 T CB 1.609 70.489 68.868 0.019 0.000 1.103 6035 T HN 0.643 nan 8.240 nan 0.000 0.486 6036 V N 2.050 121.952 119.914 -0.020 0.000 2.823 6036 V HA 0.929 5.049 4.120 0.000 0.000 0.312 6036 V C 0.437 176.515 176.094 -0.026 0.000 1.072 6036 V CA -0.592 61.687 62.300 -0.034 0.000 0.937 6036 V CB 2.104 33.878 31.823 -0.081 0.000 1.013 6036 V HN 1.109 nan 8.190 nan 0.000 0.430 6037 G N 3.324 112.115 108.800 -0.015 0.000 2.701 6037 G HA2 0.802 4.762 3.960 0.000 0.000 0.300 6037 G HA3 0.802 4.762 3.960 0.000 0.000 0.300 6037 G C -1.484 173.421 174.900 0.008 0.000 1.410 6037 G CA -0.524 44.582 45.100 0.010 0.000 1.014 6037 G HN 1.077 nan 8.290 nan 0.000 0.509 6038 L N -0.002 121.232 121.223 0.018 0.000 2.622 6038 L HA 1.024 5.364 4.340 0.000 0.000 0.258 6038 L C -1.336 175.632 176.870 0.163 0.000 0.996 6038 L CA -1.575 53.297 54.840 0.053 0.000 0.858 6038 L CB 2.569 44.472 42.059 -0.261 0.000 1.449 6038 L HN 0.765 nan 8.230 nan 0.000 0.411 6039 R N 0.101 120.795 120.500 0.322 0.000 2.584 6039 R HA 0.714 5.054 4.340 0.000 0.000 0.276 6039 R C -0.646 175.868 176.300 0.356 0.000 1.046 6039 R CA 0.099 56.380 56.100 0.301 0.000 0.906 6039 R CB 1.403 31.838 30.300 0.224 0.000 1.215 6039 R HN 0.912 nan 8.270 nan 0.000 0.449 6040 S N 1.025 116.899 115.700 0.289 0.000 2.397 6040 S HA 0.271 4.741 4.470 0.000 0.000 0.261 6040 S C 0.271 174.969 174.600 0.164 0.000 1.187 6040 S CA -0.659 57.675 58.200 0.224 0.000 1.023 6040 S CB 0.210 63.546 63.200 0.227 0.000 1.103 6040 S HN 0.694 nan 8.310 nan 0.000 0.474 6041 N N 0.774 119.551 118.700 0.128 0.000 2.353 6041 N HA 0.059 4.799 4.740 0.000 0.000 0.185 6041 N C 1.026 176.609 175.510 0.122 0.000 1.098 6041 N CA 1.179 54.280 53.050 0.085 0.000 0.872 6041 N CB 0.269 38.791 38.487 0.059 0.000 0.970 6041 N HN 0.862 nan 8.380 nan 0.000 0.467 6042 T N -3.625 111.032 114.554 0.172 0.000 2.969 6042 T HA 0.196 4.546 4.350 0.000 0.000 0.258 6042 T C 0.094 174.715 174.700 -0.131 0.000 0.962 6042 T CA 0.003 62.177 62.100 0.123 0.000 0.903 6042 T CB 0.403 69.311 68.868 0.067 0.000 1.177 6042 T HN 0.008 nan 8.240 nan 0.000 0.511 6043 H N 0.277 119.479 119.070 0.219 0.000 2.980 6043 H HA 0.802 5.358 4.556 0.000 0.000 0.367 6043 H C -1.038 174.399 175.328 0.182 0.000 1.206 6043 H CA -0.467 55.698 56.048 0.194 0.000 1.126 6043 H CB 2.067 31.906 29.762 0.127 0.000 1.838 6043 H HN 0.392 nan 8.280 nan 0.000 0.552 6044 A N 1.579 124.579 122.820 0.301 0.000 2.356 6044 A HA 0.673 4.993 4.320 0.000 0.000 0.310 6044 A C -1.207 176.472 177.584 0.157 0.000 1.075 6044 A CA -0.576 51.591 52.037 0.217 0.000 0.746 6044 A CB 0.942 20.067 19.000 0.208 0.000 1.221 6044 A HN 0.383 nan 8.150 nan 0.000 0.443 6045 V N 2.867 122.840 119.914 0.099 0.000 2.815 6045 V HA 0.605 4.725 4.120 0.000 0.000 0.314 6045 V C -0.370 175.728 176.094 0.007 0.000 1.064 6045 V CA -0.503 61.810 62.300 0.022 0.000 0.952 6045 V CB 1.782 33.593 31.823 -0.021 0.000 1.020 6045 V HN 0.796 nan 8.190 nan 0.000 0.439 6046 L N 3.454 124.659 121.223 -0.029 0.000 2.386 6046 L HA 0.764 5.104 4.340 0.000 0.000 0.271 6046 L C -1.214 175.617 176.870 -0.065 0.000 0.993 6046 L CA -0.830 53.997 54.840 -0.022 0.000 0.819 6046 L CB 2.268 44.342 42.059 0.026 0.000 1.294 6046 L HN 0.343 nan 8.230 nan 0.000 0.414 6047 V N 1.368 121.245 119.914 -0.061 0.000 2.588 6047 V HA 0.850 4.970 4.120 0.000 0.000 0.304 6047 V C -0.236 175.831 176.094 -0.045 0.000 1.042 6047 V CA -0.506 61.750 62.300 -0.075 0.000 0.877 6047 V CB 1.629 33.391 31.823 -0.103 0.000 0.996 6047 V HN 0.870 nan 8.190 nan 0.000 0.425 6048 A N 3.861 126.660 122.820 -0.034 0.000 2.413 6048 A HA 0.918 5.238 4.320 0.000 0.000 0.307 6048 A C -1.336 176.241 177.584 -0.011 0.000 1.087 6048 A CA -0.680 51.350 52.037 -0.012 0.000 0.750 6048 A CB 1.775 20.779 19.000 0.008 0.000 1.296 6048 A HN 0.883 nan 8.150 nan 0.000 0.423 6049 L N 1.740 122.966 121.223 0.005 0.000 2.287 6049 L HA 0.359 4.699 4.340 0.000 0.000 0.280 6049 L C 0.006 176.910 176.870 0.055 0.000 1.055 6049 L CA -0.200 54.651 54.840 0.018 0.000 0.863 6049 L CB -0.020 42.050 42.059 0.019 0.000 1.245 6049 L HN 0.632 nan 8.230 nan 0.000 0.432 6050 K N 4.967 125.407 120.400 0.067 0.000 2.484 6050 K HA 0.109 4.429 4.320 0.000 0.000 0.280 6050 K C 0.027 176.785 176.600 0.263 0.000 1.013 6050 K CA 0.111 56.486 56.287 0.146 0.000 1.029 6050 K CB 0.377 32.965 32.500 0.148 0.000 0.902 6050 K HN 0.588 nan 8.250 nan 0.000 0.481 6051 R N 2.056 122.672 120.500 0.193 0.000 2.532 6051 R HA 0.217 4.557 4.340 0.000 0.000 0.295 6051 R C -0.533 175.750 176.300 -0.028 0.000 0.968 6051 R CA -0.850 55.328 56.100 0.129 0.000 0.916 6051 R CB 0.879 31.211 30.300 0.053 0.000 1.124 6051 R HN 0.704 nan 8.270 nan 0.000 0.463 6052 N N 2.082 120.622 118.700 -0.268 0.000 2.518 6052 N HA 0.367 5.107 4.740 0.000 0.000 0.284 6052 N C -0.296 175.058 175.510 -0.260 0.000 1.230 6052 N CA -0.491 52.240 53.050 -0.531 0.000 0.941 6052 N CB 1.506 39.269 38.487 -1.207 0.000 1.219 6052 N HN 0.600 nan 8.380 nan 0.000 0.560 6053 A N -0.424 122.258 122.820 -0.229 0.000 1.963 6053 A HA 0.236 4.556 4.320 0.000 0.000 0.211 6053 A C 0.211 177.730 177.584 -0.109 0.000 1.380 6053 A CA 0.775 52.736 52.037 -0.128 0.000 0.690 6053 A CB -0.399 18.544 19.000 -0.095 0.000 1.060 6053 A HN 0.688 nan 8.150 nan 0.000 0.498 6054 D N -1.742 118.590 120.400 -0.113 0.000 2.569 6054 D HA 0.408 5.048 4.640 0.000 0.000 0.266 6054 D C 0.356 176.599 176.300 -0.095 0.000 1.164 6054 D CA -0.361 53.591 54.000 -0.080 0.000 1.071 6054 D CB 0.872 41.639 40.800 -0.054 0.000 1.183 6054 D HN 0.095 nan 8.370 nan 0.000 0.613 6055 E N -0.431 119.738 120.200 -0.051 0.000 2.409 6055 E HA -0.038 4.312 4.350 0.000 0.000 0.198 6055 E C 1.032 177.619 176.600 -0.023 0.000 1.024 6055 E CA 0.432 56.816 56.400 -0.027 0.000 0.861 6055 E CB 0.019 29.718 29.700 -0.001 0.000 0.788 6055 E HN 0.063 nan 8.360 nan 0.000 0.521 6056 L N -0.155 121.047 121.223 -0.036 0.000 2.700 6056 L HA 0.274 4.614 4.340 0.000 0.000 0.234 6056 L C -0.031 176.822 176.870 -0.029 0.000 1.156 6056 L CA -0.040 54.788 54.840 -0.020 0.000 0.946 6056 L CB -0.112 41.937 42.059 -0.017 0.000 1.216 6056 L HN 0.013 nan 8.230 nan 0.000 0.493 6057 S N -2.503 113.157 115.700 -0.066 0.000 2.632 6057 S HA 0.700 5.170 4.470 0.000 0.000 0.289 6057 S C 0.125 174.671 174.600 -0.091 0.000 1.115 6057 S CA -0.119 58.035 58.200 -0.076 0.000 0.889 6057 S CB 1.420 64.556 63.200 -0.106 0.000 1.116 6057 S HN 0.240 nan 8.310 nan 0.000 0.486 6058 S N 0.573 116.257 115.700 -0.027 0.000 2.617 6058 S HA 0.417 4.887 4.470 0.000 0.000 0.255 6058 S C -0.927 173.659 174.600 -0.023 0.000 1.318 6058 S CA -0.236 58.002 58.200 0.063 0.000 0.978 6058 S CB -0.514 62.732 63.200 0.077 0.000 0.961 6058 S HN 0.686 nan 8.310 nan 0.000 0.582 6059 Y N 0.421 120.727 120.300 0.010 0.000 2.387 6059 Y HA 0.379 4.929 4.550 0.000 0.000 0.336 6059 Y C 0.523 176.430 175.900 0.011 0.000 1.067 6059 Y CA -0.837 57.269 58.100 0.010 0.000 1.114 6059 Y CB 1.120 39.586 38.460 0.010 0.000 1.208 6059 Y HN 0.639 nan 8.280 nan 0.000 0.458 6060 Q N 3.062 122.938 119.800 0.127 0.000 2.274 6060 Q HA 0.079 4.419 4.340 0.000 0.000 0.280 6060 Q C -0.281 175.774 176.000 0.091 0.000 1.047 6060 Q CA -0.240 55.612 55.803 0.081 0.000 0.907 6060 Q CB 0.409 29.180 28.738 0.054 0.000 1.171 6060 Q HN 0.498 nan 8.270 nan 0.000 0.381 6061 K N 2.117 122.559 120.400 0.070 0.000 2.326 6061 K HA 0.101 4.421 4.320 0.000 0.000 0.275 6061 K C -0.049 176.582 176.600 0.053 0.000 1.018 6061 K CA -0.244 56.079 56.287 0.060 0.000 0.962 6061 K CB 0.858 33.388 32.500 0.049 0.000 0.953 6061 K HN 0.378 nan 8.250 nan 0.000 0.475 6062 K N 2.685 123.115 120.400 0.049 0.000 2.438 6062 K HA 0.244 4.564 4.320 0.000 0.000 0.206 6062 K C -0.133 176.497 176.600 0.049 0.000 1.081 6062 K CA -0.064 56.251 56.287 0.047 0.000 1.053 6062 K CB 0.367 32.893 32.500 0.044 0.000 0.908 6062 K HN 0.626 nan 8.250 nan 0.000 0.556 6063 I N 1.391 121.993 120.570 0.054 0.000 2.545 6063 I HA 0.485 4.655 4.170 0.000 0.000 0.292 6063 I C -0.545 175.629 176.117 0.094 0.000 1.040 6063 I CA -1.167 60.185 61.300 0.086 0.000 1.068 6063 I CB 1.895 39.949 38.000 0.090 0.000 1.251 6063 I HN -0.190 nan 8.210 nan 0.000 0.424 6064 I N 4.076 124.699 120.570 0.089 0.000 2.499 6064 I HA 0.374 4.544 4.170 0.000 0.000 0.288 6064 I C -0.215 175.882 176.117 -0.033 0.000 1.048 6064 I CA -0.846 60.478 61.300 0.040 0.000 1.062 6064 I CB 2.060 40.053 38.000 -0.013 0.000 1.238 6064 I HN 0.587 nan 8.210 nan 0.000 0.426 6065 K N 3.570 123.974 120.400 0.007 0.000 2.382 6065 K HA 0.212 4.532 4.320 0.000 0.000 0.275 6065 K C -0.019 176.413 176.600 -0.280 0.000 1.009 6065 K CA -0.070 56.107 56.287 -0.183 0.000 0.970 6065 K CB 1.161 33.695 32.500 0.056 0.000 0.934 6065 K HN 0.858 nan 8.250 nan 0.000 0.479 6066 C N 2.511 121.536 119.300 -0.458 0.000 2.478 6066 C HA 0.259 4.719 4.460 0.000 0.000 0.397 6066 C C 0.435 175.266 174.990 -0.265 0.000 1.360 6066 C CA -0.030 58.789 59.018 -0.332 0.000 2.191 6066 C CB -0.039 27.476 27.740 -0.375 0.000 2.654 6066 C HN 0.918 nan 8.230 nan 0.000 0.548 6067 D N -1.121 119.085 120.400 -0.323 0.000 2.759 6067 D HA 0.184 4.824 4.640 0.000 0.000 0.321 6067 D C -0.144 176.086 176.300 -0.118 0.000 1.267 6067 D CA -0.246 53.645 54.000 -0.181 0.000 0.933 6067 D CB 0.764 41.456 40.800 -0.180 0.000 1.431 6067 D HN -0.147 nan 8.370 nan 0.000 0.504 6068 E N -0.574 119.655 120.200 0.047 0.000 2.516 6068 E HA -0.070 4.280 4.350 0.000 0.000 0.199 6068 E C 0.638 177.347 176.600 0.180 0.000 1.069 6068 E CA 0.683 57.151 56.400 0.114 0.000 0.876 6068 E CB -0.358 29.412 29.700 0.117 0.000 0.843 6068 E HN 0.512 nan 8.360 nan 0.000 0.530 6069 H N -2.489 116.609 119.070 0.047 0.000 3.233 6069 H HA 0.459 5.015 4.556 0.000 0.000 0.263 6069 H C 0.447 175.812 175.328 0.061 0.000 1.168 6069 H CA -0.388 55.710 56.048 0.083 0.000 1.159 6069 H CB 0.494 30.300 29.762 0.073 0.000 1.593 6069 H HN -0.057 nan 8.280 nan 0.000 0.580 6070 M N 0.827 120.169 119.600 -0.431 0.000 2.365 6070 M HA 0.600 5.080 4.480 0.000 0.000 0.287 6070 M C -1.835 173.940 176.300 -0.874 0.000 1.154 6070 M CA -0.470 54.526 55.300 -0.506 0.000 0.941 6070 M CB 2.324 34.554 32.600 -0.616 0.000 1.704 6070 M HN 0.380 nan 8.290 nan 0.000 0.479 6071 G N 3.761 111.996 108.800 -0.941 0.000 2.684 6071 G HA2 0.745 4.706 3.960 0.000 0.000 0.290 6071 G HA3 0.745 4.706 3.960 0.000 0.000 0.290 6071 G C -2.213 172.462 174.900 -0.376 0.000 1.425 6071 G CA -0.856 43.461 45.100 -1.304 0.000 0.822 6071 G HN 1.081 nan 8.290 nan 0.000 0.482 6072 L N -0.975 120.137 121.223 -0.185 0.000 2.409 6072 L HA 0.967 5.307 4.340 0.000 0.000 0.255 6072 L C -0.581 176.320 176.870 0.051 0.000 1.027 6072 L CA -0.838 53.983 54.840 -0.030 0.000 0.834 6072 L CB 2.140 44.147 42.059 -0.087 0.000 1.426 6072 L HN 0.856 nan 8.230 nan 0.000 0.411 6073 S N 1.870 117.605 115.700 0.058 0.000 2.566 6073 S HA 0.811 5.281 4.470 0.000 0.000 0.298 6073 S C -0.640 173.991 174.600 0.052 0.000 1.083 6073 S CA -0.763 57.472 58.200 0.060 0.000 0.978 6073 S CB 1.838 65.074 63.200 0.061 0.000 1.073 6073 S HN 0.938 nan 8.310 nan 0.000 0.491 6074 L N -0.223 121.031 121.223 0.051 0.000 2.346 6074 L HA 1.042 5.382 4.340 0.000 0.000 0.274 6074 L C -0.609 176.296 176.870 0.059 0.000 1.007 6074 L CA -1.123 53.753 54.840 0.060 0.000 0.818 6074 L CB 1.755 43.847 42.059 0.054 0.000 1.284 6074 L HN 0.909 nan 8.230 nan 0.000 0.424 6075 A N 2.108 124.967 122.820 0.067 0.000 2.411 6075 A HA 0.941 5.261 4.320 0.000 0.000 0.285 6075 A C 0.168 177.788 177.584 0.061 0.000 1.129 6075 A CA 0.269 52.340 52.037 0.056 0.000 0.736 6075 A CB 0.593 19.622 19.000 0.048 0.000 1.186 6075 A HN 1.695 nan 8.150 nan 0.000 0.445 6076 G N 0.563 109.396 108.800 0.055 0.000 2.233 6076 G HA2 0.150 4.110 3.960 0.000 0.000 0.162 6076 G HA3 0.150 4.110 3.960 0.000 0.000 0.162 6076 G C -0.963 173.970 174.900 0.056 0.000 1.327 6076 G CA -0.593 44.541 45.100 0.056 0.000 1.187 6076 G HN 0.987 nan 8.290 nan 0.000 0.479 6077 L N 1.978 123.240 121.223 0.066 0.000 2.369 6077 L HA 0.474 4.814 4.340 0.000 0.000 0.279 6077 L C 2.026 178.934 176.870 0.065 0.000 1.108 6077 L CA 0.297 55.173 54.840 0.059 0.000 0.852 6077 L CB 1.221 43.317 42.059 0.062 0.000 1.169 6077 L HN 0.933 nan 8.230 nan 0.000 0.452 6078 A N 6.443 129.292 122.820 0.049 0.000 1.845 6078 A HA -0.057 4.263 4.320 0.000 0.000 0.215 6078 A C -0.414 177.200 177.584 0.050 0.000 1.195 6078 A CA 1.270 53.334 52.037 0.046 0.000 0.616 6078 A CB -1.519 17.502 19.000 0.035 0.000 0.832 6078 A HN 0.680 nan 8.150 nan 0.000 0.443 6079 P HA -0.140 nan 4.420 nan 0.000 0.217 6079 P C 0.309 177.651 177.300 0.070 0.000 1.148 6079 P CA 1.578 64.704 63.100 0.044 0.000 0.828 6079 P CB -0.172 31.546 31.700 0.029 0.000 0.783 6080 D N -1.021 119.435 120.400 0.094 0.000 2.178 6080 D HA -0.091 4.549 4.640 0.000 0.000 0.201 6080 D C 1.961 178.363 176.300 0.170 0.000 0.980 6080 D CA 1.390 55.497 54.000 0.178 0.000 0.842 6080 D CB -0.670 40.261 40.800 0.218 0.000 0.948 6080 D HN 0.102 nan 8.370 nan 0.000 0.472 6081 A N 0.226 123.108 122.820 0.103 0.000 1.975 6081 A HA -0.044 4.276 4.320 0.000 0.000 0.215 6081 A C 2.128 179.730 177.584 0.029 0.000 1.170 6081 A CA 0.975 53.044 52.037 0.053 0.000 0.656 6081 A CB -0.305 18.724 19.000 0.048 0.000 0.821 6081 A HN 0.079 nan 8.150 nan 0.000 0.449 6082 R N -0.346 120.179 120.500 0.041 0.000 2.096 6082 R HA -0.091 4.249 4.340 0.000 0.000 0.235 6082 R C 1.769 178.091 176.300 0.035 0.000 1.127 6082 R CA 1.769 57.887 56.100 0.030 0.000 0.968 6082 R CB -0.404 29.915 30.300 0.031 0.000 0.861 6082 R HN 0.262 nan 8.270 nan 0.000 0.440 6083 V N 0.636 120.586 119.914 0.062 0.000 2.358 6083 V HA -0.199 3.921 4.120 0.000 0.000 0.246 6083 V C 2.167 178.297 176.094 0.060 0.000 1.047 6083 V CA 1.624 63.973 62.300 0.082 0.000 1.035 6083 V CB -0.258 31.649 31.823 0.140 0.000 0.658 6083 V HN 0.331 nan 8.190 nan 0.000 0.452 6084 L N 0.336 121.565 121.223 0.010 0.000 2.095 6084 L HA -0.073 4.267 4.340 0.000 0.000 0.204 6084 L C 2.727 179.560 176.870 -0.062 0.000 1.080 6084 L CA 1.508 56.288 54.840 -0.099 0.000 0.759 6084 L CB -0.632 41.256 42.059 -0.285 0.000 0.914 6084 L HN 0.512 nan 8.230 nan 0.000 0.439 6085 S N -0.555 115.108 115.700 -0.061 0.000 2.399 6085 S HA -0.217 4.253 4.470 0.000 0.000 0.231 6085 S C 1.816 176.385 174.600 -0.050 0.000 1.022 6085 S CA 1.357 59.512 58.200 -0.074 0.000 0.983 6085 S CB -0.549 62.614 63.200 -0.061 0.000 0.803 6085 S HN 0.436 nan 8.310 nan 0.000 0.480 6086 N N 0.416 119.112 118.700 -0.008 0.000 2.080 6086 N HA -0.163 4.577 4.740 0.000 0.000 0.189 6086 N C 1.731 177.254 175.510 0.022 0.000 1.036 6086 N CA 1.641 54.695 53.050 0.005 0.000 0.846 6086 N CB -0.473 38.030 38.487 0.027 0.000 1.015 6086 N HN 0.609 nan 8.380 nan 0.000 0.423 6087 Y N 1.613 121.869 120.300 -0.073 0.000 2.151 6087 Y HA -0.228 4.322 4.550 0.000 0.000 0.284 6087 Y C 2.356 178.197 175.900 -0.098 0.000 1.166 6087 Y CA 1.350 59.402 58.100 -0.081 0.000 1.163 6087 Y CB -0.591 37.812 38.460 -0.095 0.000 0.974 6087 Y HN 0.057 nan 8.280 nan 0.000 0.511 6088 L N 0.818 121.968 121.223 -0.121 0.000 2.046 6088 L HA -0.189 4.151 4.340 0.000 0.000 0.208 6088 L C 2.548 179.285 176.870 -0.221 0.000 1.077 6088 L CA 1.764 56.466 54.840 -0.230 0.000 0.747 6088 L CB -0.714 41.245 42.059 -0.167 0.000 0.896 6088 L HN 0.161 nan 8.230 nan 0.000 0.432 6089 R N -1.194 119.213 120.500 -0.155 0.000 2.105 6089 R HA -0.211 4.129 4.340 0.000 0.000 0.239 6089 R C 2.242 178.477 176.300 -0.107 0.000 1.135 6089 R CA 1.903 57.929 56.100 -0.123 0.000 0.967 6089 R CB -0.222 30.027 30.300 -0.084 0.000 0.861 6089 R HN 0.569 nan 8.270 nan 0.000 0.442 6090 Q N -0.326 119.395 119.800 -0.133 0.000 1.990 6090 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 6090 Q C 2.229 178.161 176.000 -0.112 0.000 0.980 6090 Q CA 1.069 56.808 55.803 -0.107 0.000 0.832 6090 Q CB 0.010 28.675 28.738 -0.122 0.000 0.897 6090 Q HN 0.234 nan 8.270 nan 0.000 0.427 6091 Q N 0.102 119.739 119.800 -0.273 0.000 2.152 6091 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 6091 Q C 2.274 178.257 176.000 -0.028 0.000 0.985 6091 Q CA 1.158 56.833 55.803 -0.213 0.000 0.863 6091 Q CB -0.867 27.645 28.738 -0.377 0.000 0.904 6091 Q HN 0.436 nan 8.270 nan 0.000 0.422 6092 C N 1.367 120.631 119.300 -0.061 0.000 2.413 6092 C HA -0.107 4.353 4.460 0.000 0.000 0.277 6092 C C 2.404 177.435 174.990 0.069 0.000 1.265 6092 C CA 0.988 60.015 59.018 0.015 0.000 1.752 6092 C CB -1.097 26.613 27.740 -0.051 0.000 1.998 6092 C HN 0.602 nan 8.230 nan 0.000 0.489 6093 N N -1.504 117.223 118.700 0.045 0.000 2.422 6093 N HA -0.074 4.666 4.740 0.000 0.000 0.181 6093 N C 1.484 177.045 175.510 0.085 0.000 1.080 6093 N CA 0.413 53.493 53.050 0.050 0.000 0.893 6093 N CB -0.031 38.468 38.487 0.021 0.000 0.973 6093 N HN 0.756 nan 8.380 nan 0.000 0.456 6094 Y N 0.347 120.636 120.300 -0.019 0.000 2.343 6094 Y HA 0.139 4.689 4.550 0.000 0.000 0.294 6094 Y C 2.608 178.538 175.900 0.049 0.000 1.122 6094 Y CA 0.694 58.791 58.100 -0.005 0.000 1.173 6094 Y CB -0.380 38.069 38.460 -0.018 0.000 1.077 6094 Y HN -0.044 nan 8.280 nan 0.000 0.542 6095 S N -0.862 115.033 115.700 0.326 0.000 2.442 6095 S HA -0.175 4.295 4.470 0.000 0.000 0.236 6095 S C 2.177 176.866 174.600 0.149 0.000 1.007 6095 S CA 1.434 59.807 58.200 0.290 0.000 0.965 6095 S CB -0.553 62.770 63.200 0.206 0.000 0.773 6095 S HN 0.543 nan 8.310 nan 0.000 0.504 6096 S N 0.143 115.886 115.700 0.073 0.000 2.388 6096 S HA 0.222 4.692 4.470 0.000 0.000 0.223 6096 S C 1.649 176.227 174.600 -0.036 0.000 1.034 6096 S CA 0.567 58.783 58.200 0.027 0.000 0.963 6096 S CB -0.205 63.014 63.200 0.032 0.000 0.827 6096 S HN 0.504 nan 8.310 nan 0.000 0.481 6097 L N 0.601 121.762 121.223 -0.104 0.000 2.049 6097 L HA 0.017 4.357 4.340 0.000 0.000 0.203 6097 L C 2.366 179.076 176.870 -0.266 0.000 1.074 6097 L CA 0.864 55.603 54.840 -0.167 0.000 0.749 6097 L CB -0.647 41.304 42.059 -0.181 0.000 0.907 6097 L HN 0.179 nan 8.230 nan 0.000 0.439 6098 V N -0.814 118.820 119.914 -0.467 0.000 2.358 6098 V HA -0.227 3.893 4.120 0.000 0.000 0.246 6098 V C 1.620 177.325 176.094 -0.648 0.000 1.047 6098 V CA 1.847 63.733 62.300 -0.691 0.000 1.035 6098 V CB -0.400 30.735 31.823 -1.147 0.000 0.658 6098 V HN 0.289 nan 8.190 nan 0.000 0.452 6099 F N -0.914 118.950 119.950 -0.143 0.000 2.682 6099 F HA 0.365 4.892 4.527 0.000 0.000 0.308 6099 F C 1.126 176.890 175.800 -0.059 0.000 1.093 6099 F CA -0.230 57.725 58.000 -0.076 0.000 1.244 6099 F CB -0.545 38.430 39.000 -0.041 0.000 1.052 6099 F HN 0.161 nan 8.300 nan 0.000 0.573 6100 N N 2.369 121.103 118.700 0.057 0.000 2.699 6100 N HA -0.268 4.473 4.740 0.000 0.000 0.256 6100 N C -0.164 175.374 175.510 0.046 0.000 0.993 6100 N CA 0.215 53.283 53.050 0.030 0.000 0.759 6100 N CB -0.374 38.118 38.487 0.008 0.000 0.906 6100 N HN 0.439 nan 8.380 nan 0.000 0.541 6101 R N 1.670 122.206 120.500 0.060 0.000 2.510 6101 R HA 0.174 4.514 4.340 0.000 0.000 0.294 6101 R C -0.813 175.476 176.300 -0.018 0.000 1.056 6101 R CA -0.671 55.441 56.100 0.021 0.000 0.918 6101 R CB 0.865 31.189 30.300 0.039 0.000 1.187 6101 R HN 0.102 nan 8.270 nan 0.000 0.437 6102 K N 3.481 123.814 120.400 -0.112 0.000 2.473 6102 K HA -0.095 4.225 4.320 0.000 0.000 0.277 6102 K C 0.162 176.666 176.600 -0.159 0.000 1.052 6102 K CA 0.082 56.196 56.287 -0.288 0.000 1.114 6102 K CB 0.261 32.401 32.500 -0.600 0.000 0.869 6102 K HN 0.346 nan 8.250 nan 0.000 0.481 6103 L N 3.927 125.166 121.223 0.027 0.000 2.562 6103 L HA 0.033 4.373 4.340 0.000 0.000 0.271 6103 L C 0.021 176.949 176.870 0.097 0.000 1.167 6103 L CA 0.500 55.390 54.840 0.084 0.000 0.917 6103 L CB -0.238 41.886 42.059 0.108 0.000 1.187 6103 L HN 0.719 nan 8.230 nan 0.000 0.482 6104 A N 4.790 127.608 122.820 -0.004 0.000 2.587 6104 A HA 0.145 4.465 4.320 0.000 0.000 0.233 6104 A C 1.305 178.841 177.584 -0.081 0.000 1.049 6104 A CA 0.383 52.390 52.037 -0.050 0.000 0.754 6104 A CB 0.167 19.116 19.000 -0.084 0.000 0.977 6104 A HN 0.803 nan 8.150 nan 0.000 0.509 6105 V N 1.984 121.806 119.914 -0.154 0.000 2.307 6105 V HA -0.208 3.912 4.120 0.000 0.000 0.245 6105 V C 2.431 178.337 176.094 -0.312 0.000 1.045 6105 V CA 2.333 64.500 62.300 -0.221 0.000 1.024 6105 V CB -0.979 30.683 31.823 -0.268 0.000 0.651 6105 V HN 1.120 nan 8.190 nan 0.000 0.449 6106 E N 0.173 120.110 120.200 -0.438 0.000 2.284 6106 E HA -0.305 4.045 4.350 0.000 0.000 0.200 6106 E C 2.267 178.601 176.600 -0.443 0.000 1.008 6106 E CA 1.679 57.827 56.400 -0.421 0.000 0.829 6106 E CB -0.066 29.442 29.700 -0.320 0.000 0.744 6106 E HN 0.538 nan 8.360 nan 0.000 0.491 6107 R N -0.846 119.508 120.500 -0.243 0.000 2.175 6107 R HA 0.154 4.494 4.340 0.000 0.000 0.202 6107 R C 2.076 178.318 176.300 -0.097 0.000 1.018 6107 R CA 0.833 56.862 56.100 -0.119 0.000 1.029 6107 R CB -0.044 30.235 30.300 -0.034 0.000 0.959 6107 R HN 0.156 nan 8.270 nan 0.000 0.480 6108 A N 0.445 123.191 122.820 -0.123 0.000 2.015 6108 A HA 0.020 4.340 4.320 0.000 0.000 0.219 6108 A C 2.109 179.631 177.584 -0.102 0.000 1.163 6108 A CA 1.390 53.365 52.037 -0.103 0.000 0.646 6108 A CB -0.857 18.067 19.000 -0.126 0.000 0.806 6108 A HN 0.541 nan 8.150 nan 0.000 0.448 6109 G N -0.708 107.992 108.800 -0.166 0.000 2.453 6109 G HA2 -0.267 3.693 3.960 0.000 0.000 0.215 6109 G HA3 -0.267 3.693 3.960 0.000 0.000 0.215 6109 G C 1.412 176.285 174.900 -0.044 0.000 1.201 6109 G CA 1.088 46.103 45.100 -0.141 0.000 0.784 6109 G HN 0.621 nan 8.290 nan 0.000 0.545 6110 H N 0.297 119.365 119.070 -0.003 0.000 2.457 6110 H HA 0.035 4.591 4.556 0.000 0.000 0.297 6110 H C 2.579 177.919 175.328 0.021 0.000 1.092 6110 H CA 0.784 56.836 56.048 0.007 0.000 1.309 6110 H CB -0.295 29.462 29.762 -0.008 0.000 1.382 6110 H HN 0.264 nan 8.280 nan 0.000 0.535 6111 L N -0.351 120.946 121.223 0.123 0.000 2.209 6111 L HA -0.037 4.303 4.340 0.000 0.000 0.207 6111 L C 2.284 179.234 176.870 0.133 0.000 1.094 6111 L CA 0.357 55.275 54.840 0.130 0.000 0.790 6111 L CB -0.059 42.066 42.059 0.109 0.000 0.932 6111 L HN 0.173 nan 8.230 nan 0.000 0.447 6112 L N -1.263 119.996 121.223 0.060 0.000 2.162 6112 L HA -0.187 4.153 4.340 0.000 0.000 0.205 6112 L C 2.845 179.754 176.870 0.064 0.000 1.086 6112 L CA 0.527 55.332 54.840 -0.058 0.000 0.778 6112 L CB -0.419 41.473 42.059 -0.279 0.000 0.928 6112 L HN 0.411 nan 8.230 nan 0.000 0.446 6113 C N 0.796 120.191 119.300 0.158 0.000 2.385 6113 C HA -0.249 4.211 4.460 0.000 0.000 0.275 6113 C C 2.366 177.415 174.990 0.098 0.000 1.207 6113 C CA 1.690 60.812 59.018 0.173 0.000 1.760 6113 C CB -0.696 27.132 27.740 0.147 0.000 2.051 6113 C HN 0.536 nan 8.230 nan 0.000 0.467 6114 D N -0.101 120.338 120.400 0.065 0.000 2.269 6114 D HA -0.054 4.586 4.640 0.000 0.000 0.208 6114 D C 2.249 178.542 176.300 -0.012 0.000 0.963 6114 D CA 0.695 54.714 54.000 0.032 0.000 0.864 6114 D CB -0.443 40.379 40.800 0.037 0.000 0.936 6114 D HN 0.552 nan 8.370 nan 0.000 0.505 6115 K N 0.871 121.224 120.400 -0.077 0.000 2.116 6115 K HA 0.089 4.410 4.320 0.000 0.000 0.203 6115 K C 1.771 178.315 176.600 -0.094 0.000 1.052 6115 K CA 0.618 56.779 56.287 -0.212 0.000 0.952 6115 K CB 0.100 32.283 32.500 -0.528 0.000 0.729 6115 K HN 0.028 nan 8.250 nan 0.000 0.446 6116 A N 0.998 123.791 122.820 -0.045 0.000 1.970 6116 A HA -0.098 4.222 4.320 0.000 0.000 0.216 6116 A C 2.066 179.749 177.584 0.165 0.000 1.170 6116 A CA 0.822 52.925 52.037 0.110 0.000 0.645 6116 A CB -0.314 18.805 19.000 0.197 0.000 0.816 6116 A HN 0.285 nan 8.150 nan 0.000 0.447 6117 Q N 0.656 120.506 119.800 0.084 0.000 2.084 6117 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 6117 Q C 1.782 177.813 176.000 0.052 0.000 0.978 6117 Q CA 1.785 57.620 55.803 0.053 0.000 0.844 6117 Q CB -0.293 28.465 28.738 0.034 0.000 0.898 6117 Q HN 0.663 nan 8.270 nan 0.000 0.426 6118 K N 0.239 120.672 120.400 0.055 0.000 2.160 6118 K HA -0.112 4.208 4.320 0.000 0.000 0.206 6118 K C 1.496 178.124 176.600 0.047 0.000 1.047 6118 K CA 1.128 57.441 56.287 0.043 0.000 0.930 6118 K CB -0.116 32.403 32.500 0.031 0.000 0.720 6118 K HN 0.318 nan 8.250 nan 0.000 0.450 6119 N N 0.487 119.241 118.700 0.090 0.000 2.434 6119 N HA -0.051 4.689 4.740 0.000 0.000 0.196 6119 N C 0.685 176.194 175.510 -0.002 0.000 1.183 6119 N CA 0.738 53.806 53.050 0.030 0.000 0.849 6119 N CB 0.464 38.945 38.487 -0.009 0.000 0.992 6119 N HN 0.260 nan 8.380 nan 0.000 0.460 6120 T N -3.872 110.684 114.554 0.003 0.000 3.111 6120 T HA 0.165 4.515 4.350 0.000 0.000 0.284 6120 T C 1.128 175.797 174.700 -0.051 0.000 0.983 6120 T CA -0.262 61.816 62.100 -0.037 0.000 0.900 6120 T CB 0.678 69.522 68.868 -0.040 0.000 1.132 6120 T HN -0.093 nan 8.240 nan 0.000 0.531 6121 Q N 1.653 121.441 119.800 -0.020 0.000 2.378 6121 Q HA 0.333 4.673 4.340 0.000 0.000 0.229 6121 Q C 0.635 176.642 176.000 0.012 0.000 0.882 6121 Q CA 0.175 55.973 55.803 -0.009 0.000 0.936 6121 Q CB 0.780 29.522 28.738 0.008 0.000 1.092 6121 Q HN 0.597 nan 8.270 nan 0.000 0.535 6122 S N -0.377 115.331 115.700 0.013 0.000 2.499 6122 S HA 0.258 4.728 4.470 0.000 0.000 0.279 6122 S C -0.653 173.982 174.600 0.059 0.000 1.219 6122 S CA -0.836 57.387 58.200 0.039 0.000 1.062 6122 S CB 0.647 63.857 63.200 0.016 0.000 0.978 6122 S HN 0.277 nan 8.310 nan 0.000 0.489 6123 Y N 3.384 123.669 120.300 -0.024 0.000 2.442 6123 Y HA 0.472 5.022 4.550 0.000 0.000 0.330 6123 Y C 1.297 177.183 175.900 -0.024 0.000 1.129 6123 Y CA 1.479 59.565 58.100 -0.022 0.000 1.365 6123 Y CB 0.207 38.659 38.460 -0.013 0.000 1.233 6123 Y HN 1.200 nan 8.280 nan 0.000 0.529 6124 G N 3.254 111.728 108.800 -0.543 0.000 2.850 6124 G HA2 -0.234 3.726 3.960 0.000 0.000 0.207 6124 G HA3 -0.234 3.726 3.960 0.000 0.000 0.207 6124 G C 0.551 175.311 174.900 -0.232 0.000 1.302 6124 G CA -0.288 44.563 45.100 -0.414 0.000 0.832 6124 G HN 1.270 nan 8.290 nan 0.000 0.543 6125 G N 1.384 110.092 108.800 -0.152 0.000 2.442 6125 G HA2 0.576 4.536 3.960 0.000 0.000 0.249 6125 G HA3 0.576 4.536 3.960 0.000 0.000 0.249 6125 G C 0.418 175.235 174.900 -0.138 0.000 1.263 6125 G CA 0.573 45.592 45.100 -0.135 0.000 0.846 6125 G HN 1.039 nan 8.290 nan 0.000 0.555 6126 R N 2.016 122.432 120.500 -0.140 0.000 2.528 6126 R HA 0.497 4.837 4.340 0.000 0.000 0.271 6126 R C -2.558 173.651 176.300 -0.151 0.000 1.056 6126 R CA -1.268 54.760 56.100 -0.120 0.000 1.117 6126 R CB 0.481 30.724 30.300 -0.095 0.000 1.085 6126 R HN 0.213 nan 8.270 nan 0.000 0.530 6127 P HA 0.012 nan 4.420 nan 0.000 0.273 6127 P C -1.061 176.184 177.300 -0.092 0.000 1.250 6127 P CA -0.175 62.886 63.100 -0.064 0.000 0.793 6127 P CB 0.188 31.885 31.700 -0.005 0.000 1.011 6128 Y N -0.435 119.879 120.300 0.024 0.000 2.411 6128 Y HA 0.377 4.927 4.550 0.000 0.000 0.333 6128 Y C 1.705 177.634 175.900 0.047 0.000 1.186 6128 Y CA 0.832 58.967 58.100 0.058 0.000 1.381 6128 Y CB 0.174 38.717 38.460 0.138 0.000 1.273 6128 Y HN 0.375 nan 8.280 nan 0.000 0.546 6129 G N 2.135 111.049 108.800 0.190 0.000 4.943 6129 G HA2 0.471 4.431 3.960 0.000 0.000 0.315 6129 G HA3 0.471 4.431 3.960 0.000 0.000 0.315 6129 G C -1.595 173.382 174.900 0.129 0.000 1.437 6129 G CA -0.226 44.946 45.100 0.120 0.000 1.027 6129 G HN 0.543 nan 8.290 nan 0.000 0.567 6130 V N -0.178 119.836 119.914 0.166 0.000 3.098 6130 V HA 0.836 4.956 4.120 0.000 0.000 0.294 6130 V C -0.252 175.953 176.094 0.184 0.000 1.351 6130 V CA -0.136 62.259 62.300 0.159 0.000 0.999 6130 V CB 2.150 34.077 31.823 0.174 0.000 1.104 6130 V HN 0.618 nan 8.190 nan 0.000 0.438 6131 G N 4.314 113.200 108.800 0.143 0.000 2.400 6131 G HA2 0.738 4.698 3.960 0.000 0.000 0.333 6131 G HA3 0.738 4.698 3.960 0.000 0.000 0.333 6131 G C -1.473 173.553 174.900 0.210 0.000 1.143 6131 G CA -0.681 44.512 45.100 0.155 0.000 0.914 6131 G HN 0.800 nan 8.290 nan 0.000 0.480 6132 L N 1.444 122.842 121.223 0.291 0.000 2.381 6132 L HA 0.444 4.784 4.340 0.000 0.000 0.274 6132 L C -0.502 176.454 176.870 0.143 0.000 0.988 6132 L CA -0.707 54.247 54.840 0.190 0.000 0.824 6132 L CB 2.213 44.350 42.059 0.130 0.000 1.263 6132 L HN 0.219 nan 8.230 nan 0.000 0.410 6133 L N 4.711 125.987 121.223 0.088 0.000 2.264 6133 L HA 0.566 4.906 4.340 0.000 0.000 0.289 6133 L C -0.472 176.430 176.870 0.054 0.000 1.044 6133 L CA -0.350 54.534 54.840 0.073 0.000 0.807 6133 L CB 1.523 43.621 42.059 0.065 0.000 1.192 6133 L HN 0.483 nan 8.230 nan 0.000 0.425 6134 I N 5.020 125.616 120.570 0.043 0.000 2.433 6134 I HA 0.494 4.664 4.170 0.000 0.000 0.292 6134 I C -0.183 175.959 176.117 0.042 0.000 1.001 6134 I CA -0.599 60.705 61.300 0.007 0.000 1.119 6134 I CB 1.978 39.957 38.000 -0.035 0.000 1.289 6134 I HN 0.533 nan 8.210 nan 0.000 0.438 6135 I N 2.153 122.759 120.570 0.060 0.000 2.892 6135 I HA 1.058 5.228 4.170 0.000 0.000 0.306 6135 I C -0.228 175.956 176.117 0.112 0.000 1.078 6135 I CA -0.590 60.785 61.300 0.126 0.000 1.032 6135 I CB 2.386 40.511 38.000 0.207 0.000 1.229 6135 I HN 0.629 nan 8.210 nan 0.000 0.435 6136 G N 1.952 110.853 108.800 0.169 0.000 2.489 6136 G HA2 0.397 4.357 3.960 0.000 0.000 0.291 6136 G HA3 0.397 4.357 3.960 0.000 0.000 0.291 6136 G C -2.682 172.386 174.900 0.280 0.000 1.487 6136 G CA -0.662 44.556 45.100 0.197 0.000 0.795 6136 G HN 0.718 nan 8.290 nan 0.000 0.513 6137 Y N 2.025 122.437 120.300 0.186 0.000 2.388 6137 Y HA 0.482 5.032 4.550 0.000 0.000 0.328 6137 Y C -0.140 175.854 175.900 0.156 0.000 0.963 6137 Y CA -0.630 57.562 58.100 0.155 0.000 1.240 6137 Y CB 1.028 39.539 38.460 0.086 0.000 1.118 6137 Y HN 0.807 nan 8.280 nan 0.000 0.484 6138 D N 2.533 122.996 120.400 0.105 0.000 2.595 6138 D HA 0.200 4.840 4.640 0.000 0.000 0.268 6138 D C 0.426 176.739 176.300 0.021 0.000 1.181 6138 D CA -0.584 53.461 54.000 0.075 0.000 1.085 6138 D CB 0.641 41.452 40.800 0.019 0.000 1.186 6138 D HN 0.336 nan 8.370 nan 0.000 0.621 6139 K N -1.024 119.380 120.400 0.007 0.000 2.574 6139 K HA -0.008 4.312 4.320 0.000 0.000 0.193 6139 K C 0.627 177.219 176.600 -0.014 0.000 1.035 6139 K CA 0.839 57.133 56.287 0.011 0.000 0.982 6139 K CB -0.163 32.336 32.500 -0.001 0.000 0.795 6139 K HN 0.475 nan 8.250 nan 0.000 0.491 6140 S N -1.314 114.368 115.700 -0.031 0.000 2.855 6140 S HA 0.373 4.843 4.470 0.000 0.000 0.249 6140 S C 0.478 174.989 174.600 -0.149 0.000 1.033 6140 S CA -0.154 58.034 58.200 -0.019 0.000 1.038 6140 S CB 1.036 64.287 63.200 0.085 0.000 0.960 6140 S HN 0.366 nan 8.310 nan 0.000 0.548 6141 G N 1.106 109.659 108.800 -0.411 0.000 2.342 6141 G HA2 0.366 4.326 3.960 0.000 0.000 0.220 6141 G HA3 0.366 4.326 3.960 0.000 0.000 0.220 6141 G C -0.217 174.133 174.900 -0.916 0.000 1.243 6141 G CA -0.410 44.282 45.100 -0.681 0.000 1.083 6141 G HN 1.184 nan 8.290 nan 0.000 0.500 6142 A N -0.444 122.047 122.820 -0.548 0.000 2.272 6142 A HA 0.815 5.135 4.320 0.000 0.000 0.275 6142 A C -0.024 177.360 177.584 -0.334 0.000 1.096 6142 A CA 0.102 51.996 52.037 -0.239 0.000 0.822 6142 A CB 0.633 19.635 19.000 0.002 0.000 1.088 6142 A HN 1.225 nan 8.150 nan 0.000 0.495 6143 H N -0.989 118.078 119.070 -0.005 0.000 3.085 6143 H HA 0.512 5.068 4.556 0.000 0.000 0.356 6143 H C -1.933 173.411 175.328 0.027 0.000 1.178 6143 H CA -0.457 55.583 56.048 -0.014 0.000 1.214 6143 H CB 1.655 31.391 29.762 -0.044 0.000 1.881 6143 H HN 0.600 nan 8.280 nan 0.000 0.538 6144 L N 3.253 124.565 121.223 0.148 0.000 2.431 6144 L HA 0.548 4.888 4.340 0.000 0.000 0.266 6144 L C -1.774 175.138 176.870 0.070 0.000 0.978 6144 L CA -0.382 54.521 54.840 0.105 0.000 0.822 6144 L CB 1.637 43.760 42.059 0.107 0.000 1.310 6144 L HN 0.466 nan 8.230 nan 0.000 0.409 6145 L N 3.364 124.620 121.223 0.055 0.000 2.354 6145 L HA 0.620 4.960 4.340 0.000 0.000 0.269 6145 L C -0.534 176.375 176.870 0.065 0.000 1.005 6145 L CA -0.670 54.195 54.840 0.041 0.000 0.819 6145 L CB 2.106 44.173 42.059 0.014 0.000 1.311 6145 L HN 0.590 nan 8.230 nan 0.000 0.423 6146 E N 1.859 122.100 120.200 0.068 0.000 2.151 6146 E HA 0.291 4.641 4.350 0.000 0.000 0.275 6146 E C -1.793 174.876 176.600 0.116 0.000 0.936 6146 E CA -0.601 55.848 56.400 0.082 0.000 0.777 6146 E CB 1.780 31.509 29.700 0.049 0.000 1.108 6146 E HN 0.415 nan 8.360 nan 0.000 0.401 6147 F N 4.536 124.481 119.950 -0.009 0.000 2.325 6147 F HA 0.304 4.831 4.527 0.000 0.000 0.369 6147 F C -0.576 175.219 175.800 -0.008 0.000 1.095 6147 F CA -0.512 57.477 58.000 -0.019 0.000 1.082 6147 F CB 0.784 39.761 39.000 -0.037 0.000 1.289 6147 F HN 0.366 nan 8.300 nan 0.000 0.462 6148 Q N 7.065 126.517 119.800 -0.580 0.000 2.227 6148 Q HA 0.319 4.659 4.340 0.000 0.000 0.245 6148 Q C -1.949 173.482 176.000 -0.948 0.000 0.926 6148 Q CA -1.815 53.658 55.803 -0.550 0.000 0.895 6148 Q CB 1.070 29.653 28.738 -0.259 0.000 1.230 6148 Q HN 0.428 nan 8.270 nan 0.000 0.450 6149 P HA -0.113 nan 4.420 nan 0.000 0.239 6149 P C 0.398 177.578 177.300 -0.199 0.000 1.184 6149 P CA 0.822 63.708 63.100 -0.357 0.000 0.760 6149 P CB 0.200 31.871 31.700 -0.049 0.000 0.884 6150 S N -2.098 113.464 115.700 -0.230 0.000 2.489 6150 S HA 0.192 4.662 4.470 0.000 0.000 0.228 6150 S C 1.817 176.356 174.600 -0.103 0.000 0.995 6150 S CA 0.832 58.956 58.200 -0.127 0.000 0.934 6150 S CB -0.940 62.193 63.200 -0.111 0.000 0.771 6150 S HN 0.280 nan 8.310 nan 0.000 0.522 6151 G N 1.563 110.261 108.800 -0.170 0.000 2.307 6151 G HA2 -0.219 3.741 3.960 0.000 0.000 0.210 6151 G HA3 -0.219 3.741 3.960 0.000 0.000 0.210 6151 G C -0.087 174.783 174.900 -0.049 0.000 1.005 6151 G CA -0.255 44.812 45.100 -0.054 0.000 0.634 6151 G HN 0.454 nan 8.290 nan 0.000 0.496 6152 N N 1.535 120.178 118.700 -0.095 0.000 2.412 6152 N HA 0.308 5.048 4.740 0.000 0.000 0.279 6152 N C -0.087 175.398 175.510 -0.042 0.000 1.287 6152 N CA 0.646 53.666 53.050 -0.050 0.000 0.948 6152 N CB 1.293 39.748 38.487 -0.054 0.000 1.255 6152 N HN 0.240 nan 8.380 nan 0.000 0.485 6153 V N 2.661 122.600 119.914 0.042 0.000 2.427 6153 V HA 0.385 4.505 4.120 0.000 0.000 0.286 6153 V C 0.305 176.426 176.094 0.045 0.000 1.034 6153 V CA -0.478 61.868 62.300 0.077 0.000 0.893 6153 V CB 1.638 33.545 31.823 0.139 0.000 0.982 6153 V HN 0.551 nan 8.190 nan 0.000 0.452 6154 T N 2.152 116.725 114.554 0.032 0.000 2.886 6154 T HA 0.508 4.858 4.350 0.000 0.000 0.292 6154 T C -0.690 174.016 174.700 0.010 0.000 1.012 6154 T CA -0.694 61.417 62.100 0.018 0.000 0.982 6154 T CB 2.214 71.091 68.868 0.014 0.000 1.018 6154 T HN 0.668 nan 8.240 nan 0.000 0.451 6155 E N 2.453 122.649 120.200 -0.006 0.000 2.197 6155 E HA 0.597 4.947 4.350 0.000 0.000 0.281 6155 E C -1.104 175.457 176.600 -0.064 0.000 0.995 6155 E CA -0.578 55.811 56.400 -0.019 0.000 0.808 6155 E CB 0.668 30.363 29.700 -0.009 0.000 1.093 6155 E HN 0.546 nan 8.360 nan 0.000 0.394 6156 L N 2.731 123.917 121.223 -0.063 0.000 2.322 6156 L HA 0.330 4.670 4.340 0.000 0.000 0.252 6156 L C -0.061 176.743 176.870 -0.111 0.000 1.055 6156 L CA -0.879 53.908 54.840 -0.088 0.000 0.849 6156 L CB 0.737 42.818 42.059 0.037 0.000 1.446 6156 L HN 0.562 nan 8.230 nan 0.000 0.416 6157 Y N -0.060 120.315 120.300 0.124 0.000 2.347 6157 Y HA 0.423 4.973 4.550 0.000 0.000 0.294 6157 Y C 1.166 177.248 175.900 0.303 0.000 1.117 6157 Y CA 0.379 58.594 58.100 0.192 0.000 1.184 6157 Y CB 0.366 38.916 38.460 0.151 0.000 1.047 6157 Y HN 0.571 nan 8.280 nan 0.000 0.546 6158 G N -1.691 107.347 108.800 0.396 0.000 2.667 6158 G HA2 0.488 4.448 3.960 0.000 0.000 0.294 6158 G HA3 0.488 4.448 3.960 0.000 0.000 0.294 6158 G C -1.342 173.660 174.900 0.170 0.000 1.467 6158 G CA -0.206 45.045 45.100 0.251 0.000 0.852 6158 G HN -0.087 nan 8.290 nan 0.000 0.521 6159 T N -1.543 113.070 114.554 0.098 0.000 2.677 6159 T HA 0.851 5.201 4.350 0.000 0.000 0.305 6159 T C -1.636 173.091 174.700 0.045 0.000 1.569 6159 T CA 0.570 62.717 62.100 0.078 0.000 0.984 6159 T CB 1.310 70.222 68.868 0.074 0.000 1.629 6159 T HN 2.276 nan 8.240 nan 0.000 0.494 6160 A N 1.445 124.289 122.820 0.040 0.000 2.547 6160 A HA 0.795 5.115 4.320 0.000 0.000 0.297 6160 A C -1.252 176.349 177.584 0.029 0.000 1.056 6160 A CA -0.714 51.338 52.037 0.025 0.000 0.688 6160 A CB 0.935 19.942 19.000 0.012 0.000 1.282 6160 A HN 1.223 nan 8.150 nan 0.000 0.400 6161 I N -0.490 120.096 120.570 0.027 0.000 2.608 6161 I HA 0.952 5.122 4.170 0.000 0.000 0.295 6161 I C 0.323 176.456 176.117 0.027 0.000 1.049 6161 I CA -0.082 61.236 61.300 0.029 0.000 1.063 6161 I CB 2.062 40.084 38.000 0.037 0.000 1.248 6161 I HN 1.972 nan 8.210 nan 0.000 0.424 6162 G N 3.402 112.217 108.800 0.026 0.000 2.378 6162 G HA2 0.205 4.165 3.960 0.000 0.000 0.198 6162 G HA3 0.205 4.165 3.960 0.000 0.000 0.198 6162 G C -0.292 174.621 174.900 0.021 0.000 1.223 6162 G CA -0.360 44.755 45.100 0.025 0.000 1.088 6162 G HN 1.574 nan 8.290 nan 0.000 0.530 6163 A N 0.081 122.912 122.820 0.020 0.000 2.513 6163 A HA 0.537 4.857 4.320 0.000 0.000 0.274 6163 A C 1.429 179.022 177.584 0.015 0.000 1.115 6163 A CA 1.778 53.825 52.037 0.017 0.000 0.792 6163 A CB -0.858 18.152 19.000 0.017 0.000 1.053 6163 A HN 1.884 nan 8.150 nan 0.000 0.515 6164 R N 1.082 121.591 120.500 0.016 0.000 3.651 6164 R HA -0.219 4.121 4.340 0.000 0.000 0.292 6164 R C 1.535 177.845 176.300 0.016 0.000 1.161 6164 R CA 0.894 57.003 56.100 0.015 0.000 0.787 6164 R CB -2.504 27.804 30.300 0.013 0.000 1.249 6164 R HN 1.230 nan 8.270 nan 0.000 0.476 6165 S N -0.498 115.212 115.700 0.018 0.000 2.423 6165 S HA -0.313 4.157 4.470 0.000 0.000 0.238 6165 S C 1.689 176.304 174.600 0.024 0.000 1.028 6165 S CA 1.540 59.751 58.200 0.019 0.000 1.000 6165 S CB -0.020 63.194 63.200 0.023 0.000 0.797 6165 S HN 0.452 nan 8.310 nan 0.000 0.487 6166 Q N 1.620 121.436 119.800 0.027 0.000 2.297 6166 Q HA 0.183 4.523 4.340 0.000 0.000 0.204 6166 Q C 2.027 178.052 176.000 0.042 0.000 0.962 6166 Q CA 1.420 57.244 55.803 0.035 0.000 0.879 6166 Q CB -1.161 27.596 28.738 0.031 0.000 0.947 6166 Q HN 0.663 nan 8.270 nan 0.000 0.462 6167 G N -0.415 108.406 108.800 0.035 0.000 2.402 6167 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 6167 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 6167 G C 1.364 176.300 174.900 0.060 0.000 1.162 6167 G CA 0.806 45.931 45.100 0.042 0.000 0.777 6167 G HN 0.475 nan 8.290 nan 0.000 0.539 6168 A N 0.396 123.235 122.820 0.033 0.000 1.903 6168 A HA 0.189 4.509 4.320 0.000 0.000 0.213 6168 A C 2.155 179.795 177.584 0.092 0.000 1.185 6168 A CA 1.760 53.812 52.037 0.025 0.000 0.628 6168 A CB -0.339 18.631 19.000 -0.049 0.000 0.830 6168 A HN 0.325 nan 8.150 nan 0.000 0.446 6169 K N -0.412 120.031 120.400 0.072 0.000 2.218 6169 K HA -0.155 4.165 4.320 0.000 0.000 0.205 6169 K C 1.588 178.255 176.600 0.112 0.000 1.046 6169 K CA 1.908 58.247 56.287 0.088 0.000 0.933 6169 K CB -0.136 32.403 32.500 0.065 0.000 0.728 6169 K HN 0.555 nan 8.250 nan 0.000 0.454 6170 T N -0.935 113.687 114.554 0.113 0.000 3.009 6170 T HA -0.073 4.277 4.350 0.000 0.000 0.258 6170 T C 1.332 176.118 174.700 0.144 0.000 1.063 6170 T CA 0.598 62.763 62.100 0.109 0.000 1.139 6170 T CB -0.324 68.593 68.868 0.081 0.000 0.890 6170 T HN 0.358 nan 8.240 nan 0.000 0.471 6171 Y N 2.364 122.686 120.300 0.036 0.000 2.089 6171 Y HA -0.112 4.438 4.550 0.000 0.000 0.282 6171 Y C 1.983 177.927 175.900 0.072 0.000 1.139 6171 Y CA 1.200 59.324 58.100 0.040 0.000 1.123 6171 Y CB -0.488 37.982 38.460 0.016 0.000 0.980 6171 Y HN 0.023 nan 8.280 nan 0.000 0.493 6172 L N 0.474 121.976 121.223 0.465 0.000 2.079 6172 L HA -0.257 4.083 4.340 0.000 0.000 0.210 6172 L C 2.470 179.523 176.870 0.305 0.000 1.081 6172 L CA 1.865 56.944 54.840 0.398 0.000 0.752 6172 L CB -0.645 41.567 42.059 0.255 0.000 0.896 6172 L HN 0.329 nan 8.230 nan 0.000 0.433 6173 E N -0.056 120.258 120.200 0.191 0.000 2.160 6173 E HA -0.280 4.070 4.350 0.000 0.000 0.195 6173 E C 2.211 178.850 176.600 0.065 0.000 0.991 6173 E CA 1.429 57.905 56.400 0.125 0.000 0.810 6173 E CB 0.105 29.861 29.700 0.093 0.000 0.742 6173 E HN 0.353 nan 8.360 nan 0.000 0.466 6174 R N -0.658 119.853 120.500 0.019 0.000 2.128 6174 R HA 0.053 4.393 4.340 0.000 0.000 0.211 6174 R C 1.830 178.083 176.300 -0.078 0.000 1.067 6174 R CA 1.552 57.622 56.100 -0.050 0.000 1.010 6174 R CB -0.527 29.723 30.300 -0.084 0.000 0.922 6174 R HN -0.105 nan 8.270 nan 0.000 0.457 6175 T N 1.974 116.479 114.554 -0.081 0.000 3.072 6175 T HA 0.001 4.351 4.350 0.000 0.000 0.266 6175 T C 1.417 176.154 174.700 0.062 0.000 1.127 6175 T CA 0.736 62.837 62.100 0.001 0.000 1.107 6175 T CB -0.244 68.651 68.868 0.047 0.000 0.910 6175 T HN 0.116 nan 8.240 nan 0.000 0.513 6176 L N 2.731 123.947 121.223 -0.012 0.000 2.017 6176 L HA -0.275 4.065 4.340 0.000 0.000 0.234 6176 L C 1.762 178.251 176.870 -0.634 0.000 1.097 6176 L CA 2.076 56.681 54.840 -0.391 0.000 0.816 6176 L CB -0.765 41.158 42.059 -0.226 0.000 0.914 6176 L HN 0.275 nan 8.230 nan 0.000 0.444 6177 D N -1.996 118.192 120.400 -0.353 0.000 2.351 6177 D HA -0.126 4.514 4.640 0.000 0.000 0.216 6177 D C 1.837 177.985 176.300 -0.252 0.000 0.968 6177 D CA 1.465 55.281 54.000 -0.307 0.000 0.899 6177 D CB -0.011 40.677 40.800 -0.188 0.000 0.907 6177 D HN 0.506 nan 8.370 nan 0.000 0.514 6178 T N 0.558 114.987 114.554 -0.209 0.000 2.901 6178 T HA -0.033 4.317 4.350 0.000 0.000 0.252 6178 T C 1.717 176.404 174.700 -0.021 0.000 1.035 6178 T CA 0.493 62.549 62.100 -0.073 0.000 1.142 6178 T CB -0.133 68.745 68.868 0.017 0.000 0.869 6178 T HN 0.292 nan 8.240 nan 0.000 0.442 6179 F N 2.118 122.064 119.950 -0.007 0.000 2.416 6179 F HA 0.312 4.839 4.527 0.000 0.000 0.296 6179 F C 1.876 177.688 175.800 0.021 0.000 1.099 6179 F CA -0.140 57.877 58.000 0.028 0.000 1.427 6179 F CB -1.067 37.976 39.000 0.072 0.000 1.079 6179 F HN 0.156 nan 8.300 nan 0.000 0.536 6180 I N -1.373 118.930 120.570 -0.445 0.000 3.176 6180 I HA 0.045 4.215 4.170 0.000 0.000 0.275 6180 I C 1.116 177.173 176.117 -0.099 0.000 1.298 6180 I CA 0.972 62.124 61.300 -0.247 0.000 1.445 6180 I CB -0.353 37.334 38.000 -0.523 0.000 1.075 6180 I HN 0.009 nan 8.210 nan 0.000 0.482 6181 K N 1.504 121.856 120.400 -0.079 0.000 2.372 6181 K HA 0.393 4.713 4.320 0.000 0.000 0.200 6181 K C 0.735 177.356 176.600 0.036 0.000 1.022 6181 K CA 0.012 56.284 56.287 -0.025 0.000 1.125 6181 K CB 0.522 32.992 32.500 -0.050 0.000 0.855 6181 K HN 0.434 nan 8.250 nan 0.000 0.524 6182 I N 3.021 123.640 120.570 0.082 0.000 2.330 6182 I HA -0.011 4.159 4.170 0.000 0.000 0.280 6182 I C -0.454 175.744 176.117 0.135 0.000 1.069 6182 I CA 0.015 61.380 61.300 0.109 0.000 1.873 6182 I CB -0.554 37.531 38.000 0.142 0.000 1.476 6182 I HN -0.188 nan 8.210 nan 0.000 0.813 6183 D N 2.368 122.838 120.400 0.116 0.000 2.313 6183 D HA 0.258 4.898 4.640 0.000 0.000 0.247 6183 D C 1.340 177.726 176.300 0.144 0.000 1.094 6183 D CA 0.310 54.397 54.000 0.146 0.000 0.925 6183 D CB 1.486 42.347 40.800 0.102 0.000 1.188 6183 D HN 0.511 nan 8.370 nan 0.000 0.430 6184 G N 1.290 110.210 108.800 0.200 0.000 2.196 6184 G HA2 -0.292 3.668 3.960 0.000 0.000 0.268 6184 G HA3 -0.292 3.668 3.960 0.000 0.000 0.268 6184 G C 0.423 175.394 174.900 0.120 0.000 0.975 6184 G CA 0.249 45.449 45.100 0.167 0.000 0.648 6184 G HN 0.558 nan 8.290 nan 0.000 0.538 6185 N N 0.099 118.852 118.700 0.088 0.000 2.372 6185 N HA 0.560 5.300 4.740 0.000 0.000 0.285 6185 N C -1.488 173.948 175.510 -0.124 0.000 1.008 6185 N CA -1.832 51.221 53.050 0.006 0.000 0.880 6185 N CB 2.469 40.971 38.487 0.025 0.000 1.239 6185 N HN 0.019 nan 8.380 nan 0.000 0.484 6186 P HA 0.205 nan 4.420 nan 0.000 0.215 6186 P C 0.467 177.703 177.300 -0.106 0.000 1.134 6186 P CA 0.348 63.239 63.100 -0.349 0.000 0.894 6186 P CB 0.984 32.495 31.700 -0.315 0.000 0.805 6187 D N -0.129 120.258 120.400 -0.022 0.000 2.221 6187 D HA -0.150 4.490 4.640 0.000 0.000 0.204 6187 D C 1.796 178.149 176.300 0.088 0.000 0.982 6187 D CA 1.013 55.059 54.000 0.077 0.000 0.857 6187 D CB -0.159 40.649 40.800 0.013 0.000 0.934 6187 D HN 0.134 nan 8.370 nan 0.000 0.475 6188 E N -0.057 120.164 120.200 0.036 0.000 2.230 6188 E HA -0.057 4.293 4.350 0.000 0.000 0.192 6188 E C 1.999 178.635 176.600 0.060 0.000 0.987 6188 E CA -0.001 56.429 56.400 0.050 0.000 0.841 6188 E CB -0.015 29.710 29.700 0.042 0.000 0.783 6188 E HN 0.218 nan 8.360 nan 0.000 0.481 6189 L N 0.710 121.956 121.223 0.038 0.000 2.240 6189 L HA 0.020 4.360 4.340 0.000 0.000 0.211 6189 L C 1.919 178.793 176.870 0.006 0.000 1.106 6189 L CA 1.044 55.913 54.840 0.048 0.000 0.793 6189 L CB -0.182 41.912 42.059 0.058 0.000 0.927 6189 L HN 0.016 nan 8.230 nan 0.000 0.446 6190 I N -1.017 119.548 120.570 -0.007 0.000 2.406 6190 I HA -0.212 3.958 4.170 0.000 0.000 0.249 6190 I C 2.362 178.464 176.117 -0.026 0.000 1.122 6190 I CA 0.688 61.939 61.300 -0.083 0.000 1.431 6190 I CB -0.348 37.511 38.000 -0.235 0.000 1.087 6190 I HN 0.227 nan 8.210 nan 0.000 0.424 6191 K N 1.521 121.975 120.400 0.090 0.000 2.152 6191 K HA -0.209 4.111 4.320 0.000 0.000 0.206 6191 K C 2.128 178.747 176.600 0.032 0.000 1.048 6191 K CA 1.593 57.941 56.287 0.102 0.000 0.933 6191 K CB -0.017 32.543 32.500 0.101 0.000 0.721 6191 K HN 0.326 nan 8.250 nan 0.000 0.447 6192 A N 0.317 123.150 122.820 0.021 0.000 1.898 6192 A HA 0.021 4.341 4.320 0.000 0.000 0.214 6192 A C 2.325 179.830 177.584 -0.132 0.000 1.183 6192 A CA 1.438 53.479 52.037 0.007 0.000 0.622 6192 A CB -0.921 18.119 19.000 0.066 0.000 0.824 6192 A HN 0.488 nan 8.150 nan 0.000 0.444 6193 G N -0.482 108.229 108.800 -0.147 0.000 2.442 6193 G HA2 -0.124 3.836 3.960 0.000 0.000 0.219 6193 G HA3 -0.124 3.836 3.960 0.000 0.000 0.219 6193 G C 1.412 176.189 174.900 -0.206 0.000 1.141 6193 G CA 1.395 46.377 45.100 -0.198 0.000 0.763 6193 G HN 0.327 nan 8.290 nan 0.000 0.554 6194 V N 0.238 120.056 119.914 -0.160 0.000 2.649 6194 V HA -0.007 4.114 4.120 0.000 0.000 0.248 6194 V C 2.348 178.345 176.094 -0.162 0.000 1.054 6194 V CA 1.666 63.884 62.300 -0.137 0.000 1.073 6194 V CB 0.071 31.848 31.823 -0.077 0.000 0.699 6194 V HN 0.530 nan 8.190 nan 0.000 0.463 6195 E N 0.107 120.195 120.200 -0.186 0.000 2.482 6195 E HA -0.041 4.309 4.350 0.000 0.000 0.196 6195 E C 1.988 178.252 176.600 -0.560 0.000 1.047 6195 E CA 0.826 57.098 56.400 -0.212 0.000 0.869 6195 E CB 0.110 29.778 29.700 -0.054 0.000 0.836 6195 E HN 0.597 nan 8.360 nan 0.000 0.520 6196 A N 0.805 123.186 122.820 -0.732 0.000 1.942 6196 A HA 0.084 4.404 4.320 0.000 0.000 0.209 6196 A C 1.999 179.329 177.584 -0.423 0.000 1.214 6196 A CA -0.041 51.409 52.037 -0.978 0.000 0.686 6196 A CB -0.196 18.281 19.000 -0.872 0.000 0.871 6196 A HN 0.351 nan 8.150 nan 0.000 0.460 6197 I N 1.274 121.678 120.570 -0.275 0.000 2.614 6197 I HA -0.167 4.003 4.170 0.000 0.000 0.258 6197 I C 1.828 177.874 176.117 -0.119 0.000 1.189 6197 I CA 1.592 62.799 61.300 -0.155 0.000 1.462 6197 I CB 0.053 37.983 38.000 -0.115 0.000 1.092 6197 I HN 0.438 nan 8.210 nan 0.000 0.442 6198 S N -0.560 115.057 115.700 -0.138 0.000 2.593 6198 S HA 0.031 4.501 4.470 0.000 0.000 0.217 6198 S C 1.538 176.102 174.600 -0.059 0.000 0.966 6198 S CA -0.172 57.979 58.200 -0.081 0.000 0.914 6198 S CB 0.104 63.265 63.200 -0.065 0.000 0.776 6198 S HN 0.440 nan 8.310 nan 0.000 0.523 6199 Q N 1.487 121.240 119.800 -0.078 0.000 2.311 6199 Q HA 0.200 4.540 4.340 0.000 0.000 0.203 6199 Q C 1.117 177.114 176.000 -0.005 0.000 0.954 6199 Q CA 0.687 56.481 55.803 -0.015 0.000 0.885 6199 Q CB -0.338 28.415 28.738 0.026 0.000 0.963 6199 Q HN 0.535 nan 8.270 nan 0.000 0.471 6200 S N 0.589 116.275 115.700 -0.023 0.000 2.634 6200 S HA 0.212 4.682 4.470 0.000 0.000 0.221 6200 S C 0.531 175.128 174.600 -0.004 0.000 0.952 6200 S CA -0.070 58.125 58.200 -0.008 0.000 0.930 6200 S CB -0.005 63.187 63.200 -0.012 0.000 0.780 6200 S HN 0.169 nan 8.310 nan 0.000 0.498 6201 L N 0.587 121.807 121.223 -0.006 0.000 2.330 6201 L HA 0.602 4.942 4.340 0.000 0.000 0.271 6201 L C 0.975 177.848 176.870 0.006 0.000 1.013 6201 L CA -1.254 53.586 54.840 0.000 0.000 0.816 6201 L CB 0.819 42.876 42.059 -0.003 0.000 1.287 6201 L HN -0.154 nan 8.230 nan 0.000 0.435 6202 R N 0.426 120.931 120.500 0.009 0.000 1.583 6202 R HA 0.070 4.410 4.340 0.000 0.000 0.123 6202 R C 0.572 176.878 176.300 0.010 0.000 1.213 6202 R CA 0.230 56.336 56.100 0.011 0.000 1.768 6202 R CB -0.462 29.844 30.300 0.011 0.000 0.787 6202 R HN 0.572 nan 8.270 nan 0.000 0.619 6203 D N 1.230 121.637 120.400 0.011 0.000 2.325 6203 D HA 0.045 4.685 4.640 0.000 0.000 0.234 6203 D C -0.536 175.770 176.300 0.011 0.000 1.122 6203 D CA 0.116 54.122 54.000 0.010 0.000 0.850 6203 D CB 0.108 40.914 40.800 0.010 0.000 0.921 6203 D HN 0.059 nan 8.370 nan 0.000 0.513 6204 E N -0.387 119.820 120.200 0.011 0.000 2.343 6204 E HA 0.249 4.599 4.350 0.000 0.000 0.269 6204 E C -0.785 175.821 176.600 0.010 0.000 1.047 6204 E CA -0.230 56.178 56.400 0.013 0.000 0.874 6204 E CB 1.208 30.917 29.700 0.016 0.000 1.033 6204 E HN -0.217 nan 8.360 nan 0.000 0.409 6205 S N 3.241 118.948 115.700 0.012 0.000 2.640 6205 S HA 0.418 4.888 4.470 0.000 0.000 0.320 6205 S C -0.674 173.928 174.600 0.003 0.000 1.097 6205 S CA -0.715 57.489 58.200 0.007 0.000 1.092 6205 S CB 0.048 63.254 63.200 0.009 0.000 0.988 6205 S HN 0.414 nan 8.310 nan 0.000 0.470 6206 L N 4.971 126.191 121.223 -0.006 0.000 2.499 6206 L HA 0.278 4.618 4.340 0.000 0.000 0.273 6206 L C 1.070 177.928 176.870 -0.022 0.000 1.195 6206 L CA 0.151 54.981 54.840 -0.016 0.000 0.882 6206 L CB 0.467 42.514 42.059 -0.020 0.000 1.133 6206 L HN 0.747 nan 8.230 nan 0.000 0.483 6207 T N -1.518 113.010 114.554 -0.042 0.000 2.724 6207 T HA 0.308 4.658 4.350 0.000 0.000 0.274 6207 T C 1.022 175.675 174.700 -0.079 0.000 0.984 6207 T CA -0.202 61.868 62.100 -0.051 0.000 1.024 6207 T CB 1.194 70.034 68.868 -0.046 0.000 1.320 6207 T HN 0.295 nan 8.240 nan 0.000 0.555 6208 V N -1.172 118.696 119.914 -0.077 0.000 2.913 6208 V HA 0.038 4.158 4.120 0.000 0.000 0.260 6208 V C 0.978 176.978 176.094 -0.158 0.000 1.098 6208 V CA 1.578 63.829 62.300 -0.082 0.000 1.121 6208 V CB -0.965 30.826 31.823 -0.053 0.000 0.714 6208 V HN 0.777 nan 8.190 nan 0.000 0.487 6209 D N -0.271 119.970 120.400 -0.265 0.000 2.388 6209 D HA 0.029 4.669 4.640 0.000 0.000 0.208 6209 D C 1.547 177.353 176.300 -0.824 0.000 1.035 6209 D CA 0.332 53.988 54.000 -0.574 0.000 0.875 6209 D CB -0.066 40.334 40.800 -0.668 0.000 0.984 6209 D HN 0.425 nan 8.370 nan 0.000 0.508 6210 N N 0.652 119.094 118.700 -0.429 0.000 2.250 6210 N HA -0.025 4.715 4.740 0.000 0.000 0.181 6210 N C 0.587 176.012 175.510 -0.143 0.000 1.017 6210 N CA 0.163 53.072 53.050 -0.235 0.000 0.866 6210 N CB 0.412 38.854 38.487 -0.076 0.000 0.985 6210 N HN 0.156 nan 8.380 nan 0.000 0.429 6211 L N 0.557 121.702 121.223 -0.129 0.000 2.312 6211 L HA 0.370 4.710 4.340 0.000 0.000 0.281 6211 L C -0.256 176.574 176.870 -0.067 0.000 1.070 6211 L CA -0.179 54.615 54.840 -0.077 0.000 0.805 6211 L CB 1.415 43.440 42.059 -0.057 0.000 1.174 6211 L HN -0.222 nan 8.230 nan 0.000 0.434 6212 S N 5.179 120.848 115.700 -0.050 0.000 2.677 6212 S HA 0.765 5.236 4.470 0.000 0.000 0.283 6212 S C -0.924 173.644 174.600 -0.053 0.000 1.159 6212 S CA -0.518 57.659 58.200 -0.037 0.000 1.001 6212 S CB 0.557 63.745 63.200 -0.020 0.000 1.032 6212 S HN 0.493 nan 8.310 nan 0.000 0.487 6213 I N 2.987 123.523 120.570 -0.056 0.000 2.730 6213 I HA 0.799 4.969 4.170 0.000 0.000 0.298 6213 I C -0.300 175.724 176.117 -0.155 0.000 1.089 6213 I CA -0.842 60.402 61.300 -0.094 0.000 1.041 6213 I CB 2.223 40.151 38.000 -0.120 0.000 1.235 6213 I HN 0.721 nan 8.210 nan 0.000 0.423 6214 A N 5.911 128.598 122.820 -0.222 0.000 2.539 6214 A HA 0.933 5.253 4.320 0.000 0.000 0.296 6214 A C -1.449 175.909 177.584 -0.377 0.000 1.073 6214 A CA -0.513 51.246 52.037 -0.463 0.000 0.700 6214 A CB 2.246 20.915 19.000 -0.551 0.000 1.296 6214 A HN 0.726 nan 8.150 nan 0.000 0.405 6215 I N 0.306 120.578 120.570 -0.497 0.000 3.093 6215 I HA 0.781 4.951 4.170 0.000 0.000 0.308 6215 I C -1.826 174.199 176.117 -0.153 0.000 1.303 6215 I CA -0.825 60.357 61.300 -0.198 0.000 0.975 6215 I CB 2.154 40.134 38.000 -0.033 0.000 1.286 6215 I HN 0.848 nan 8.210 nan 0.000 0.459 6216 V N 3.775 123.743 119.914 0.091 0.000 3.278 6216 V HA 0.979 5.099 4.120 0.000 0.000 0.288 6216 V C -0.728 175.494 176.094 0.213 0.000 1.514 6216 V CA 0.634 63.040 62.300 0.176 0.000 1.051 6216 V CB 1.972 33.981 31.823 0.309 0.000 1.163 6216 V HN 1.334 nan 8.190 nan 0.000 0.458 6217 G N 2.435 111.292 108.800 0.094 0.000 2.333 6217 G HA2 0.290 4.250 3.960 0.000 0.000 0.330 6217 G HA3 0.290 4.250 3.960 0.000 0.000 0.330 6217 G C -0.143 174.358 174.900 -0.666 0.000 1.465 6217 G CA 0.389 45.399 45.100 -0.151 0.000 0.996 6217 G HN 1.252 nan 8.290 nan 0.000 0.655 6218 K N -1.093 118.363 120.400 -1.574 0.000 2.405 6218 K HA -0.311 4.009 4.320 0.000 0.000 0.220 6218 K C 0.794 177.054 176.600 -0.567 0.000 0.714 6218 K CA 2.832 58.370 56.287 -1.248 0.000 1.146 6218 K CB -0.324 31.797 32.500 -0.633 0.000 0.945 6218 K HN 0.497 nan 8.250 nan 0.000 0.655 6219 D N -0.474 119.744 120.400 -0.305 0.000 2.593 6219 D HA 0.133 4.773 4.640 0.000 0.000 0.241 6219 D C -0.869 175.402 176.300 -0.049 0.000 1.257 6219 D CA 0.192 54.111 54.000 -0.135 0.000 0.828 6219 D CB 0.935 41.690 40.800 -0.076 0.000 1.049 6219 D HN 0.204 nan 8.370 nan 0.000 0.490 6220 T N 2.804 117.331 114.554 -0.044 0.000 2.833 6220 T HA 0.316 4.666 4.350 0.000 0.000 0.297 6220 T C -2.521 172.207 174.700 0.046 0.000 1.015 6220 T CA -1.407 60.719 62.100 0.042 0.000 0.963 6220 T CB 2.552 71.501 68.868 0.136 0.000 0.955 6220 T HN -0.061 nan 8.240 nan 0.000 0.449 6221 P HA 0.181 nan 4.420 nan 0.000 0.272 6221 P C -0.115 177.249 177.300 0.107 0.000 1.223 6221 P CA -0.713 62.445 63.100 0.097 0.000 0.784 6221 P CB 0.602 32.350 31.700 0.080 0.000 0.923 6222 F N 2.934 122.885 119.950 0.003 0.000 2.506 6222 F HA -0.002 4.525 4.527 0.000 0.000 0.387 6222 F C 0.144 175.892 175.800 -0.086 0.000 1.053 6222 F CA 1.236 59.215 58.000 -0.035 0.000 1.083 6222 F CB -0.355 38.617 39.000 -0.046 0.000 1.010 6222 F HN 0.206 nan 8.300 nan 0.000 0.551 6223 T N 5.978 120.237 114.554 -0.491 0.000 2.907 6223 T HA 0.657 5.007 4.350 0.000 0.000 0.292 6223 T C -0.406 173.770 174.700 -0.874 0.000 1.043 6223 T CA -0.850 60.931 62.100 -0.531 0.000 1.003 6223 T CB 2.088 70.705 68.868 -0.419 0.000 1.084 6223 T HN 0.396 nan 8.240 nan 0.000 0.483 6224 I N 1.990 122.152 120.570 -0.680 0.000 2.433 6224 I HA 0.372 4.542 4.170 0.000 0.000 0.292 6224 I C -1.337 174.483 176.117 -0.496 0.000 1.001 6224 I CA -1.078 59.886 61.300 -0.561 0.000 1.119 6224 I CB 1.561 39.423 38.000 -0.230 0.000 1.289 6224 I HN 0.643 nan 8.210 nan 0.000 0.438 6225 Y N 4.277 124.511 120.300 -0.110 0.000 2.464 6225 Y HA 0.422 4.972 4.550 -0.000 0.000 0.326 6225 Y C -0.060 175.802 175.900 -0.064 0.000 0.969 6225 Y CA -0.999 57.058 58.100 -0.072 0.000 1.270 6225 Y CB 0.615 39.032 38.460 -0.072 0.000 1.103 6225 Y HN 0.425 nan 8.280 nan 0.000 0.491 6226 D N 0.947 121.400 120.400 0.088 0.000 2.340 6226 D HA 0.556 5.196 4.640 0.000 0.000 0.243 6226 D C 0.658 176.977 176.300 0.032 0.000 0.988 6226 D CA 0.412 54.431 54.000 0.032 0.000 0.959 6226 D CB 2.503 43.308 40.800 0.009 0.000 1.226 6226 D HN 0.685 nan 8.370 nan 0.000 0.509 6227 G N 1.376 110.170 108.800 -0.010 0.000 2.527 6227 G HA2 -0.348 3.612 3.960 0.000 0.000 0.268 6227 G HA3 -0.348 3.612 3.960 0.000 0.000 0.268 6227 G C 0.953 175.850 174.900 -0.004 0.000 1.175 6227 G CA 0.699 45.790 45.100 -0.016 0.000 0.962 6227 G HN 0.524 nan 8.290 nan 0.000 0.560 6228 E N 0.818 121.019 120.200 0.002 0.000 2.204 6228 E HA 0.203 4.553 4.350 0.000 0.000 0.194 6228 E C 2.872 179.474 176.600 0.003 0.000 0.989 6228 E CA 2.298 58.697 56.400 -0.002 0.000 0.824 6228 E CB -0.792 28.906 29.700 -0.004 0.000 0.756 6228 E HN 1.191 nan 8.360 nan 0.000 0.477 6229 A N -0.148 122.687 122.820 0.024 0.000 2.084 6229 A HA -0.168 4.152 4.320 0.000 0.000 0.221 6229 A C 2.104 179.699 177.584 0.017 0.000 1.161 6229 A CA 1.701 53.749 52.037 0.018 0.000 0.653 6229 A CB -0.411 18.653 19.000 0.106 0.000 0.802 6229 A HN 0.194 nan 8.150 nan 0.000 0.457 6230 V N -1.674 118.275 119.914 0.058 0.000 3.506 6230 V HA 0.113 4.233 4.120 0.000 0.000 0.263 6230 V C 2.588 178.763 176.094 0.136 0.000 1.203 6230 V CA 0.763 63.133 62.300 0.117 0.000 1.133 6230 V CB -1.061 30.793 31.823 0.052 0.000 0.802 6230 V HN 0.521 nan 8.190 nan 0.000 0.459 6231 A N 2.433 125.276 122.820 0.039 0.000 1.917 6231 A HA -0.265 4.055 4.320 0.000 0.000 0.219 6231 A C 2.257 179.819 177.584 -0.036 0.000 1.182 6231 A CA 2.323 54.360 52.037 -0.000 0.000 0.633 6231 A CB -0.535 18.448 19.000 -0.028 0.000 0.819 6231 A HN 0.729 nan 8.150 nan 0.000 0.448 6232 K N -1.527 118.798 120.400 -0.126 0.000 2.442 6232 K HA -0.157 4.163 4.320 0.000 0.000 0.199 6232 K C 0.453 176.795 176.600 -0.429 0.000 1.044 6232 K CA 1.568 57.662 56.287 -0.320 0.000 0.941 6232 K CB -0.459 31.765 32.500 -0.459 0.000 0.759 6232 K HN 0.620 nan 8.250 nan 0.000 0.472 6233 Y N 0.860 121.113 120.300 -0.078 0.000 2.607 6233 Y HA 0.400 4.950 4.550 0.000 0.000 0.266 6233 Y C 0.687 176.554 175.900 -0.054 0.000 1.178 6233 Y CA -0.722 57.338 58.100 -0.066 0.000 1.226 6233 Y CB 0.308 38.725 38.460 -0.071 0.000 1.144 6233 Y HN -0.061 nan 8.280 nan 0.000 0.528 6234 I N 0.000 120.598 120.570 0.046 0.000 2.984 6234 I HA 0.000 4.170 4.170 0.000 0.000 0.288 6234 I CA 0.000 61.313 61.300 0.022 0.000 1.566 6234 I CB 0.000 38.007 38.000 0.012 0.000 1.214 6234 I HN 0.000 nan 8.210 nan 0.000 0.494