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 1y1r_1_B DATA FIRST_RESID 6004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL 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 6004 S HA 0.000 nan 4.470 nan 0.000 0.327 6004 S C 0.000 174.579 174.600 -0.036 0.000 1.055 6004 S CA 0.000 58.170 58.200 -0.049 0.000 1.107 6004 S CB 0.000 63.147 63.200 -0.088 0.000 0.593 6005 D N 1.355 121.746 120.400 -0.014 0.000 2.323 6005 D HA 0.125 4.765 4.640 0.000 0.000 0.209 6005 D C 0.955 177.265 176.300 0.016 0.000 0.973 6005 D CA 1.414 55.415 54.000 0.002 0.000 0.874 6005 D CB 0.350 41.155 40.800 0.009 0.000 0.930 6005 D HN 0.580 nan 8.370 nan 0.000 0.521 6006 V N -2.452 117.469 119.914 0.012 0.000 2.914 6006 V HA 0.356 4.476 4.120 0.000 0.000 0.314 6006 V C 0.846 176.956 176.094 0.028 0.000 1.084 6006 V CA -1.037 61.292 62.300 0.048 0.000 0.963 6006 V CB 1.701 33.557 31.823 0.054 0.000 1.025 6006 V HN -0.171 nan 8.190 nan 0.000 0.432 6007 F N 1.332 121.246 119.950 -0.060 0.000 2.234 6007 F HA 0.007 4.534 4.527 0.000 0.000 0.299 6007 F C 1.852 177.455 175.800 -0.327 0.000 1.087 6007 F CA 2.470 60.353 58.000 -0.195 0.000 1.340 6007 F CB 0.021 38.875 39.000 -0.244 0.000 1.031 6007 F HN 0.842 nan 8.300 nan 0.000 0.500 6008 H N -1.504 117.639 119.070 0.122 0.000 2.481 6008 H HA 0.230 4.786 4.556 0.000 0.000 0.291 6008 H C 2.021 177.354 175.328 0.008 0.000 1.009 6008 H CA 0.895 56.982 56.048 0.065 0.000 1.282 6008 H CB -0.310 29.485 29.762 0.055 0.000 1.457 6008 H HN 0.096 nan 8.280 nan 0.000 0.525 6009 L N 0.030 121.291 121.223 0.063 0.000 2.275 6009 L HA 0.094 4.434 4.340 0.000 0.000 0.215 6009 L C 1.106 178.101 176.870 0.208 0.000 1.119 6009 L CA 0.760 55.666 54.840 0.109 0.000 0.790 6009 L CB -0.530 41.540 42.059 0.019 0.000 0.919 6009 L HN 0.536 nan 8.230 nan 0.000 0.443 6010 G N 1.292 110.127 108.800 0.060 0.000 2.295 6010 G HA2 -0.265 3.695 3.960 0.000 0.000 0.287 6010 G HA3 -0.265 3.695 3.960 0.000 0.000 0.287 6010 G C -0.208 174.744 174.900 0.087 0.000 1.055 6010 G CA 0.156 45.277 45.100 0.035 0.000 0.922 6010 G HN 0.266 nan 8.290 nan 0.000 0.503 6011 L N -0.564 120.686 121.223 0.044 0.000 2.309 6011 L HA 0.894 5.234 4.340 0.000 0.000 0.261 6011 L C 0.661 177.538 176.870 0.012 0.000 1.021 6011 L CA -0.617 54.243 54.840 0.033 0.000 0.823 6011 L CB 2.468 44.550 42.059 0.039 0.000 1.366 6011 L HN 0.376 nan 8.230 nan 0.000 0.423 6012 T N -3.723 110.835 114.554 0.007 0.000 2.930 6012 T HA 0.388 4.738 4.350 0.000 0.000 0.290 6012 T C 0.481 175.183 174.700 0.003 0.000 1.052 6012 T CA -0.912 61.190 62.100 0.002 0.000 1.017 6012 T CB 1.990 70.856 68.868 -0.004 0.000 1.137 6012 T HN 0.527 nan 8.240 nan 0.000 0.511 6013 K N 0.411 120.813 120.400 0.003 0.000 2.209 6013 K HA -0.130 4.190 4.320 0.000 0.000 0.204 6013 K C 1.996 178.595 176.600 -0.002 0.000 1.048 6013 K CA 1.398 57.686 56.287 0.002 0.000 0.940 6013 K CB -0.292 32.210 32.500 0.003 0.000 0.729 6013 K HN 0.620 nan 8.250 nan 0.000 0.451 6014 N N 1.557 120.254 118.700 -0.004 0.000 2.223 6014 N HA -0.159 4.581 4.740 0.000 0.000 0.185 6014 N C 1.130 176.635 175.510 -0.009 0.000 1.016 6014 N CA 1.353 54.399 53.050 -0.007 0.000 0.863 6014 N CB 0.007 38.488 38.487 -0.009 0.000 0.983 6014 N HN 0.071 nan 8.380 nan 0.000 0.429 6015 D N -0.366 120.029 120.400 -0.009 0.000 2.263 6015 D HA -0.103 4.537 4.640 0.000 0.000 0.208 6015 D C 1.492 177.787 176.300 -0.008 0.000 0.971 6015 D CA 0.581 54.574 54.000 -0.012 0.000 0.867 6015 D CB -0.002 40.793 40.800 -0.009 0.000 0.929 6015 D HN 0.300 nan 8.370 nan 0.000 0.492 6016 L N 0.273 121.493 121.223 -0.005 0.000 2.270 6016 L HA 0.006 4.346 4.340 0.000 0.000 0.210 6016 L C 0.827 177.692 176.870 -0.008 0.000 1.104 6016 L CA 0.562 55.399 54.840 -0.006 0.000 0.804 6016 L CB -0.255 41.798 42.059 -0.010 0.000 0.937 6016 L HN -0.091 nan 8.230 nan 0.000 0.450 6017 Q N -0.122 119.673 119.800 -0.008 0.000 2.468 6017 Q HA -0.250 4.091 4.340 0.000 0.000 0.289 6017 Q C 1.193 177.187 176.000 -0.009 0.000 1.299 6017 Q CA 0.926 56.724 55.803 -0.008 0.000 0.838 6017 Q CB -2.204 26.530 28.738 -0.006 0.000 1.195 6017 Q HN 0.678 nan 8.270 nan 0.000 0.456 6018 G N -1.918 106.875 108.800 -0.011 0.000 2.179 6018 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 6018 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 6018 G C 0.360 175.247 174.900 -0.021 0.000 0.977 6018 G CA 0.407 45.499 45.100 -0.014 0.000 0.641 6018 G HN 1.283 nan 8.290 nan 0.000 0.533 6019 A N -0.269 122.536 122.820 -0.024 0.000 2.540 6019 A HA 0.564 4.884 4.320 0.000 0.000 0.239 6019 A C 1.070 178.618 177.584 -0.060 0.000 1.061 6019 A CA 1.379 53.394 52.037 -0.038 0.000 0.758 6019 A CB 0.215 19.195 19.000 -0.034 0.000 0.991 6019 A HN 0.575 nan 8.150 nan 0.000 0.502 6020 Q N 0.999 120.753 119.800 -0.076 0.000 2.185 6020 Q HA 0.312 4.652 4.340 0.000 0.000 0.234 6020 Q C -0.378 175.521 176.000 -0.169 0.000 0.819 6020 Q CA -0.012 55.729 55.803 -0.103 0.000 0.961 6020 Q CB 0.748 29.446 28.738 -0.067 0.000 1.140 6020 Q HN 0.746 nan 8.270 nan 0.000 0.492 6021 L N 0.572 121.700 121.223 -0.158 0.000 2.362 6021 L HA 0.820 5.160 4.340 0.000 0.000 0.271 6021 L C -1.732 175.018 176.870 -0.200 0.000 1.002 6021 L CA -0.689 54.032 54.840 -0.198 0.000 0.818 6021 L CB 1.739 43.730 42.059 -0.113 0.000 1.298 6021 L HN -0.093 nan 8.230 nan 0.000 0.420 6022 A N 5.778 128.433 122.820 -0.275 0.000 2.359 6022 A HA 0.655 4.975 4.320 0.000 0.000 0.303 6022 A C -0.950 176.611 177.584 -0.040 0.000 1.066 6022 A CA -0.524 51.419 52.037 -0.156 0.000 0.730 6022 A CB 1.012 19.893 19.000 -0.199 0.000 1.211 6022 A HN 0.671 nan 8.150 nan 0.000 0.439 6023 I N 3.073 123.650 120.570 0.012 0.000 2.312 6023 I HA 0.328 4.498 4.170 0.000 0.000 0.291 6023 I C -0.188 175.977 176.117 0.079 0.000 1.031 6023 I CA -0.557 60.768 61.300 0.041 0.000 1.293 6023 I CB 1.445 39.457 38.000 0.020 0.000 1.403 6023 I HN 0.452 nan 8.210 nan 0.000 0.484 6024 V N 6.079 126.058 119.914 0.108 0.000 2.284 6024 V HA 0.522 4.642 4.120 0.000 0.000 0.274 6024 V C -2.479 173.667 176.094 0.086 0.000 1.023 6024 V CA -1.892 60.483 62.300 0.125 0.000 0.808 6024 V CB 0.621 32.558 31.823 0.189 0.000 1.035 6024 V HN 0.476 nan 8.190 nan 0.000 0.445 6025 P HA 0.350 nan 4.420 nan 0.000 0.278 6025 P C 0.804 178.131 177.300 0.045 0.000 1.266 6025 P CA 0.106 63.231 63.100 0.041 0.000 0.807 6025 P CB 2.154 33.866 31.700 0.021 0.000 1.094 6026 G N -0.201 108.614 108.800 0.025 0.000 2.441 6026 G HA2 -0.060 3.900 3.960 0.000 0.000 0.212 6026 G HA3 -0.060 3.900 3.960 0.000 0.000 0.212 6026 G C 0.312 175.210 174.900 -0.003 0.000 1.164 6026 G CA 0.370 45.479 45.100 0.015 0.000 0.811 6026 G HN 0.503 nan 8.290 nan 0.000 0.535 6027 D N 0.999 121.395 120.400 -0.007 0.000 2.325 6027 D HA 0.208 4.848 4.640 0.000 0.000 0.251 6027 D C -1.043 175.251 176.300 -0.011 0.000 1.196 6027 D CA -2.438 51.550 54.000 -0.020 0.000 0.866 6027 D CB 1.935 42.721 40.800 -0.024 0.000 1.101 6027 D HN 0.046 nan 8.370 nan 0.000 0.476 6028 P HA -0.138 nan 4.420 nan 0.000 0.223 6028 P C 0.355 177.660 177.300 0.009 0.000 1.144 6028 P CA 0.939 64.046 63.100 0.013 0.000 0.783 6028 P CB 0.368 32.069 31.700 0.001 0.000 0.771 6029 E N -0.556 119.636 120.200 -0.014 0.000 2.478 6029 E HA -0.010 4.340 4.350 0.000 0.000 0.194 6029 E C 2.116 178.682 176.600 -0.057 0.000 1.045 6029 E CA -0.007 56.377 56.400 -0.026 0.000 0.868 6029 E CB -0.139 29.546 29.700 -0.026 0.000 0.885 6029 E HN 0.228 nan 8.360 nan 0.000 0.505 6030 R N 0.709 121.176 120.500 -0.054 0.000 2.290 6030 R HA 0.028 4.368 4.340 0.000 0.000 0.197 6030 R C 1.795 178.028 176.300 -0.111 0.000 0.913 6030 R CA 0.160 56.217 56.100 -0.072 0.000 1.040 6030 R CB 0.355 30.630 30.300 -0.042 0.000 0.992 6030 R HN -0.010 nan 8.270 nan 0.000 0.500 6031 V N 1.331 121.183 119.914 -0.104 0.000 2.255 6031 V HA -0.269 3.851 4.120 0.000 0.000 0.247 6031 V C 2.245 178.093 176.094 -0.410 0.000 1.051 6031 V CA 2.312 64.528 62.300 -0.140 0.000 1.018 6031 V CB -0.521 31.304 31.823 0.003 0.000 0.641 6031 V HN 0.453 nan 8.190 nan 0.000 0.445 6032 E N 0.257 120.078 120.200 -0.632 0.000 2.077 6032 E HA -0.264 4.086 4.350 0.000 0.000 0.193 6032 E C 2.247 178.471 176.600 -0.627 0.000 0.989 6032 E CA 1.427 57.169 56.400 -1.097 0.000 0.800 6032 E CB -0.058 29.130 29.700 -0.854 0.000 0.746 6032 E HN 0.604 nan 8.360 nan 0.000 0.452 6033 K N 0.104 120.292 120.400 -0.355 0.000 2.103 6033 K HA -0.135 4.185 4.320 0.000 0.000 0.207 6033 K C 2.167 178.649 176.600 -0.196 0.000 1.048 6033 K CA 1.424 57.575 56.287 -0.226 0.000 0.930 6033 K CB -0.096 32.318 32.500 -0.144 0.000 0.716 6033 K HN 0.267 nan 8.250 nan 0.000 0.444 6034 I N 0.783 121.237 120.570 -0.194 0.000 2.333 6034 I HA -0.190 3.980 4.170 0.000 0.000 0.246 6034 I C 2.522 178.556 176.117 -0.138 0.000 1.106 6034 I CA 0.803 62.024 61.300 -0.132 0.000 1.411 6034 I CB -0.366 37.580 38.000 -0.091 0.000 1.082 6034 I HN 0.106 nan 8.210 nan 0.000 0.420 6035 A N 0.967 123.661 122.820 -0.211 0.000 1.940 6035 A HA -0.166 4.154 4.320 0.000 0.000 0.219 6035 A C 2.495 180.005 177.584 -0.123 0.000 1.176 6035 A CA 1.784 53.735 52.037 -0.143 0.000 0.631 6035 A CB -0.786 18.101 19.000 -0.187 0.000 0.814 6035 A HN 0.430 nan 8.150 nan 0.000 0.446 6036 A N -0.391 122.306 122.820 -0.206 0.000 2.125 6036 A HA 0.032 4.352 4.320 0.000 0.000 0.219 6036 A C 1.870 179.409 177.584 -0.076 0.000 1.156 6036 A CA 1.261 53.218 52.037 -0.133 0.000 0.671 6036 A CB -0.539 18.363 19.000 -0.164 0.000 0.794 6036 A HN 0.505 nan 8.150 nan 0.000 0.459 6037 L N -1.418 119.760 121.223 -0.076 0.000 2.599 6037 L HA 0.156 4.497 4.340 0.000 0.000 0.230 6037 L C 0.815 177.664 176.870 -0.035 0.000 1.141 6037 L CA -0.012 54.795 54.840 -0.054 0.000 0.877 6037 L CB -0.410 41.613 42.059 -0.059 0.000 1.009 6037 L HN 0.409 nan 8.230 nan 0.000 0.447 6038 M N -1.502 118.083 119.600 -0.024 0.000 2.821 6038 M HA 0.346 4.826 4.480 0.000 0.000 0.304 6038 M C -0.756 175.550 176.300 0.010 0.000 1.233 6038 M CA -0.922 54.375 55.300 -0.006 0.000 0.851 6038 M CB 1.539 34.141 32.600 0.002 0.000 1.723 6038 M HN -0.200 nan 8.290 nan 0.000 0.493 6039 D N 1.005 121.414 120.400 0.015 0.000 2.339 6039 D HA 0.159 4.799 4.640 0.000 0.000 0.245 6039 D C -0.317 176.007 176.300 0.041 0.000 1.115 6039 D CA 0.110 54.123 54.000 0.023 0.000 0.917 6039 D CB 0.576 41.385 40.800 0.014 0.000 1.192 6039 D HN 0.439 nan 8.370 nan 0.000 0.428 6040 K N -0.502 119.925 120.400 0.044 0.000 3.177 6040 K HA -0.148 4.172 4.320 0.000 0.000 0.266 6040 K C -2.241 174.415 176.600 0.093 0.000 0.937 6040 K CA 0.140 56.460 56.287 0.055 0.000 0.702 6040 K CB -1.347 31.174 32.500 0.035 0.000 1.365 6040 K HN 0.386 nan 8.250 nan 0.000 0.466 6041 P HA 0.075 nan 4.420 nan 0.000 0.267 6041 P C -0.367 177.122 177.300 0.314 0.000 1.205 6041 P CA 0.075 63.343 63.100 0.279 0.000 0.765 6041 P CB 1.209 33.076 31.700 0.277 0.000 0.828 6042 V N 4.059 124.107 119.914 0.224 0.000 2.623 6042 V HA 0.271 4.391 4.120 0.000 0.000 0.304 6042 V C 0.415 176.155 176.094 -0.591 0.000 1.054 6042 V CA -0.925 61.289 62.300 -0.143 0.000 0.882 6042 V CB 2.095 33.859 31.823 -0.099 0.000 1.002 6042 V HN 0.515 nan 8.190 nan 0.000 0.424 6043 K N 3.585 123.175 120.400 -1.350 0.000 2.350 6043 K HA 0.423 4.743 4.320 0.000 0.000 0.279 6043 K C -0.053 176.122 176.600 -0.709 0.000 1.027 6043 K CA -0.207 55.046 56.287 -1.723 0.000 0.969 6043 K CB 0.831 32.405 32.500 -1.543 0.000 0.954 6043 K HN 0.650 nan 8.250 nan 0.000 0.474 6044 L N 2.269 123.202 121.223 -0.483 0.000 2.488 6044 L HA 0.375 4.715 4.340 0.000 0.000 0.186 6044 L C 0.587 177.354 176.870 -0.172 0.000 1.124 6044 L CA 0.102 54.806 54.840 -0.226 0.000 0.838 6044 L CB 0.129 42.127 42.059 -0.103 0.000 1.107 6044 L HN 0.758 nan 8.230 nan 0.000 0.494 6045 A N -1.018 121.721 122.820 -0.136 0.000 2.588 6045 A HA 0.680 5.000 4.320 0.000 0.000 0.290 6045 A C -1.203 176.288 177.584 -0.155 0.000 1.136 6045 A CA -0.262 51.688 52.037 -0.145 0.000 0.681 6045 A CB 1.813 20.789 19.000 -0.039 0.000 1.282 6045 A HN -0.077 nan 8.150 nan 0.000 0.421 6046 S N 0.315 115.797 115.700 -0.364 0.000 2.614 6046 S HA 0.581 5.051 4.470 0.000 0.000 0.259 6046 S C -1.910 172.416 174.600 -0.456 0.000 1.118 6046 S CA -0.496 57.559 58.200 -0.242 0.000 1.065 6046 S CB 0.188 63.317 63.200 -0.118 0.000 1.121 6046 S HN 0.728 nan 8.310 nan 0.000 0.458 6047 H N 3.447 122.596 119.070 0.131 0.000 2.759 6047 H HA 0.564 5.120 4.556 0.000 0.000 0.354 6047 H C 0.667 176.087 175.328 0.153 0.000 1.074 6047 H CA -0.374 55.755 56.048 0.134 0.000 1.226 6047 H CB 1.584 31.441 29.762 0.159 0.000 1.648 6047 H HN 0.776 nan 8.280 nan 0.000 0.529 6048 R N 0.821 121.431 120.500 0.184 0.000 3.835 6048 R HA -0.292 4.048 4.340 0.000 0.000 0.455 6048 R C 0.359 176.602 176.300 -0.094 0.000 0.241 6048 R CA 2.066 58.195 56.100 0.048 0.000 1.439 6048 R CB -0.709 29.641 30.300 0.082 0.000 0.987 6048 R HN 0.642 nan 8.270 nan 0.000 0.570 6049 E N 0.483 120.459 120.200 -0.374 0.000 2.465 6049 E HA 0.150 4.500 4.350 0.000 0.000 0.191 6049 E C -0.397 175.927 176.600 -0.459 0.000 1.053 6049 E CA 0.282 56.417 56.400 -0.442 0.000 0.869 6049 E CB 0.148 29.526 29.700 -0.536 0.000 0.977 6049 E HN 0.221 nan 8.360 nan 0.000 0.483 6050 F N 1.141 121.146 119.950 0.091 0.000 2.309 6050 F HA 0.307 4.834 4.527 0.000 0.000 0.366 6050 F C 0.213 176.067 175.800 0.089 0.000 1.104 6050 F CA -0.798 57.262 58.000 0.100 0.000 1.179 6050 F CB 1.097 40.178 39.000 0.135 0.000 1.437 6050 F HN -0.283 nan 8.300 nan 0.000 0.528 6051 T N 2.023 116.706 114.554 0.214 0.000 2.767 6051 T HA 0.446 4.796 4.350 0.000 0.000 0.284 6051 T C -0.197 174.645 174.700 0.237 0.000 0.973 6051 T CA -0.700 61.510 62.100 0.183 0.000 0.996 6051 T CB 1.021 69.988 68.868 0.165 0.000 0.927 6051 T HN 0.525 nan 8.240 nan 0.000 0.456 6052 S N 2.448 118.275 115.700 0.212 0.000 2.500 6052 S HA 0.782 5.252 4.470 0.000 0.000 0.301 6052 S C -1.515 173.213 174.600 0.213 0.000 1.092 6052 S CA -0.994 57.337 58.200 0.218 0.000 1.030 6052 S CB 1.266 64.550 63.200 0.140 0.000 1.031 6052 S HN 0.665 nan 8.310 nan 0.000 0.483 6053 W N 1.034 122.348 121.300 0.023 0.000 2.882 6053 W HA 0.688 5.348 4.660 0.000 0.000 0.345 6053 W C 0.106 176.629 176.519 0.007 0.000 1.125 6053 W CA -0.796 56.556 57.345 0.010 0.000 1.167 6053 W CB 1.942 31.406 29.460 0.006 0.000 1.431 6053 W HN 0.795 nan 8.180 nan 0.000 0.543 6054 R N 1.474 122.103 120.500 0.214 0.000 2.670 6054 R HA 0.890 5.230 4.340 0.000 0.000 0.289 6054 R C -0.860 175.535 176.300 0.158 0.000 0.965 6054 R CA -0.414 55.763 56.100 0.128 0.000 0.899 6054 R CB 1.650 31.977 30.300 0.045 0.000 1.173 6054 R HN 0.621 nan 8.270 nan 0.000 0.456 6055 A N 2.362 125.245 122.820 0.106 0.000 2.524 6055 A HA 0.548 4.868 4.320 0.000 0.000 0.289 6055 A C -1.553 176.059 177.584 0.047 0.000 1.248 6055 A CA -0.683 51.408 52.037 0.090 0.000 0.712 6055 A CB 1.886 20.936 19.000 0.083 0.000 1.312 6055 A HN 0.715 nan 8.150 nan 0.000 0.441 6056 E N -0.558 119.663 120.200 0.034 0.000 2.272 6056 E HA 0.565 4.915 4.350 0.000 0.000 0.269 6056 E C -2.255 174.351 176.600 0.010 0.000 0.877 6056 E CA -0.598 55.812 56.400 0.018 0.000 0.755 6056 E CB 2.066 31.776 29.700 0.016 0.000 1.192 6056 E HN 0.419 nan 8.360 nan 0.000 0.422 6057 L N 4.157 125.381 121.223 0.002 0.000 2.404 6057 L HA 0.328 4.668 4.340 0.000 0.000 0.272 6057 L C -1.047 175.819 176.870 -0.005 0.000 0.980 6057 L CA 0.008 54.846 54.840 -0.004 0.000 0.836 6057 L CB 1.347 43.401 42.059 -0.008 0.000 1.238 6057 L HN 0.605 nan 8.230 nan 0.000 0.408 6058 D N 4.185 124.582 120.400 -0.005 0.000 2.837 6058 D HA -0.192 4.449 4.640 0.000 0.000 0.230 6058 D C 1.146 177.443 176.300 -0.004 0.000 1.152 6058 D CA 1.693 55.690 54.000 -0.005 0.000 0.736 6058 D CB -1.045 39.751 40.800 -0.008 0.000 1.084 6058 D HN 1.174 nan 8.370 nan 0.000 0.429 6059 G N -1.218 107.580 108.800 -0.002 0.000 2.162 6059 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 6059 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 6059 G C 0.126 175.025 174.900 -0.003 0.000 0.976 6059 G CA 0.576 45.675 45.100 -0.001 0.000 0.655 6059 G HN 0.340 nan 8.290 nan 0.000 0.533 6060 K N 0.430 120.828 120.400 -0.004 0.000 2.244 6060 K HA 0.733 5.053 4.320 0.000 0.000 0.260 6060 K C 0.457 177.054 176.600 -0.006 0.000 0.951 6060 K CA -0.020 56.263 56.287 -0.007 0.000 0.826 6060 K CB 1.908 34.402 32.500 -0.011 0.000 1.108 6060 K HN 0.647 nan 8.250 nan 0.000 0.433 6061 A N 2.384 125.200 122.820 -0.006 0.000 2.511 6061 A HA 0.363 4.683 4.320 0.000 0.000 0.242 6061 A C -0.125 177.453 177.584 -0.009 0.000 1.069 6061 A CA -0.117 51.918 52.037 -0.003 0.000 0.763 6061 A CB 0.226 19.223 19.000 -0.005 0.000 1.001 6061 A HN 0.396 nan 8.150 nan 0.000 0.498 6062 V N 3.962 123.876 119.914 0.001 0.000 2.841 6062 V HA 0.381 4.501 4.120 0.000 0.000 0.310 6062 V C -0.521 175.581 176.094 0.014 0.000 1.090 6062 V CA -0.645 61.652 62.300 -0.006 0.000 0.930 6062 V CB 1.894 33.715 31.823 -0.004 0.000 1.014 6062 V HN 0.757 nan 8.190 nan 0.000 0.425 6063 I N 3.810 124.380 120.570 -0.000 0.000 2.460 6063 I HA 0.547 4.717 4.170 0.000 0.000 0.298 6063 I C -0.394 175.752 176.117 0.049 0.000 0.989 6063 I CA -0.607 60.712 61.300 0.032 0.000 1.173 6063 I CB 2.017 40.023 38.000 0.010 0.000 1.338 6063 I HN 0.278 nan 8.210 nan 0.000 0.456 6064 V N 5.136 125.111 119.914 0.101 0.000 2.407 6064 V HA 0.414 4.534 4.120 0.000 0.000 0.291 6064 V C -0.439 175.744 176.094 0.149 0.000 1.018 6064 V CA -0.479 61.884 62.300 0.105 0.000 0.842 6064 V CB 2.008 33.884 31.823 0.088 0.000 0.996 6064 V HN 0.895 nan 8.190 nan 0.000 0.426 6065 C N 4.871 124.256 119.300 0.141 0.000 2.608 6065 C HA 0.741 5.201 4.460 0.000 0.000 0.325 6065 C C 0.524 175.622 174.990 0.180 0.000 1.147 6065 C CA -0.331 58.794 59.018 0.178 0.000 1.359 6065 C CB 1.397 29.244 27.740 0.177 0.000 1.912 6065 C HN 1.050 nan 8.230 nan 0.000 0.466 6066 S N 3.030 118.845 115.700 0.192 0.000 2.592 6066 S HA 0.415 4.885 4.470 0.000 0.000 0.271 6066 S C 0.868 175.614 174.600 0.242 0.000 1.326 6066 S CA 0.435 58.728 58.200 0.157 0.000 1.024 6066 S CB 1.389 64.647 63.200 0.096 0.000 0.921 6066 S HN 1.076 nan 8.310 nan 0.000 0.527 6067 T N -1.169 113.487 114.554 0.170 0.000 2.990 6067 T HA 0.538 4.888 4.350 0.000 0.000 0.249 6067 T C 1.172 175.919 174.700 0.078 0.000 1.039 6067 T CA 0.406 62.642 62.100 0.225 0.000 1.036 6067 T CB -0.834 68.117 68.868 0.139 0.000 0.994 6067 T HN 2.033 nan 8.240 nan 0.000 0.489 6068 G N 1.379 110.159 108.800 -0.033 0.000 2.757 6068 G HA2 -0.073 3.887 3.960 0.000 0.000 0.638 6068 G HA3 -0.073 3.887 3.960 0.000 0.000 0.638 6068 G C -0.694 174.176 174.900 -0.050 0.000 1.344 6068 G CA -0.571 44.460 45.100 -0.114 0.000 0.855 6068 G HN 0.623 nan 8.290 nan 0.000 0.537 6069 I N 2.047 122.581 120.570 -0.060 0.000 2.441 6069 I HA 0.522 4.692 4.170 0.000 0.000 0.287 6069 I C 1.148 177.252 176.117 -0.021 0.000 1.049 6069 I CA 1.038 62.317 61.300 -0.035 0.000 1.381 6069 I CB 0.688 38.660 38.000 -0.046 0.000 1.409 6069 I HN 2.053 nan 8.210 nan 0.000 0.523 6070 G N 3.924 112.719 108.800 -0.008 0.000 2.662 6070 G HA2 -0.101 3.859 3.960 0.000 0.000 0.686 6070 G HA3 -0.101 3.859 3.960 0.000 0.000 0.686 6070 G C 0.539 175.438 174.900 -0.002 0.000 1.271 6070 G CA -0.444 44.653 45.100 -0.006 0.000 0.816 6070 G HN 0.934 nan 8.290 nan 0.000 0.608 6071 G N 0.117 108.912 108.800 -0.008 0.000 2.422 6071 G HA2 0.123 4.083 3.960 0.000 0.000 0.218 6071 G HA3 0.123 4.083 3.960 0.000 0.000 0.218 6071 G C 0.091 174.988 174.900 -0.004 0.000 1.146 6071 G CA 2.008 47.100 45.100 -0.012 0.000 0.769 6071 G HN 0.674 nan 8.290 nan 0.000 0.547 6072 P HA -0.088 nan 4.420 nan 0.000 0.214 6072 P C 2.328 179.648 177.300 0.033 0.000 1.162 6072 P CA 1.785 64.879 63.100 -0.009 0.000 0.879 6072 P CB -0.074 31.614 31.700 -0.020 0.000 0.786 6073 S N -1.612 114.121 115.700 0.055 0.000 2.368 6073 S HA -0.146 4.324 4.470 0.000 0.000 0.225 6073 S C 1.927 176.657 174.600 0.217 0.000 1.030 6073 S CA 2.086 60.374 58.200 0.147 0.000 0.999 6073 S CB -1.386 61.837 63.200 0.038 0.000 0.844 6073 S HN 0.124 nan 8.310 nan 0.000 0.459 6074 T N 1.762 116.379 114.554 0.105 0.000 2.746 6074 T HA -0.105 4.245 4.350 0.000 0.000 0.267 6074 T C 2.193 176.889 174.700 -0.008 0.000 1.039 6074 T CA 1.683 63.821 62.100 0.063 0.000 1.142 6074 T CB -0.607 68.261 68.868 -0.001 0.000 0.866 6074 T HN 0.730 nan 8.240 nan 0.000 0.444 6075 S N 1.192 116.886 115.700 -0.009 0.000 2.419 6075 S HA -0.023 4.447 4.470 0.000 0.000 0.233 6075 S C 2.046 176.635 174.600 -0.019 0.000 1.016 6075 S CA 0.708 58.901 58.200 -0.012 0.000 0.974 6075 S CB -0.718 62.567 63.200 0.142 0.000 0.786 6075 S HN 0.497 nan 8.310 nan 0.000 0.492 6076 I N 2.029 122.573 120.570 -0.044 0.000 2.193 6076 I HA -0.084 4.086 4.170 0.000 0.000 0.240 6076 I C 3.118 179.092 176.117 -0.237 0.000 1.084 6076 I CA 1.043 62.242 61.300 -0.167 0.000 1.365 6076 I CB -0.732 37.078 38.000 -0.318 0.000 1.064 6076 I HN 0.419 nan 8.210 nan 0.000 0.410 6077 A N 0.545 123.216 122.820 -0.248 0.000 1.883 6077 A HA -0.180 4.140 4.320 0.000 0.000 0.217 6077 A C 2.422 179.973 177.584 -0.054 0.000 1.186 6077 A CA 2.003 53.918 52.037 -0.205 0.000 0.624 6077 A CB -1.074 17.951 19.000 0.042 0.000 0.822 6077 A HN 0.242 nan 8.150 nan 0.000 0.444 6078 V N 0.171 120.017 119.914 -0.113 0.000 2.295 6078 V HA -0.268 3.852 4.120 0.000 0.000 0.246 6078 V C 2.644 178.677 176.094 -0.103 0.000 1.049 6078 V CA 2.552 64.686 62.300 -0.277 0.000 1.024 6078 V CB -0.808 30.647 31.823 -0.613 0.000 0.648 6078 V HN 0.782 nan 8.190 nan 0.000 0.447 6079 E N 0.975 121.128 120.200 -0.079 0.000 2.038 6079 E HA -0.251 4.099 4.350 0.000 0.000 0.195 6079 E C 2.084 178.714 176.600 0.049 0.000 1.000 6079 E CA 2.086 58.490 56.400 0.006 0.000 0.803 6079 E CB -0.360 29.364 29.700 0.040 0.000 0.750 6079 E HN 0.690 nan 8.360 nan 0.000 0.448 6080 E N -0.068 120.147 120.200 0.025 0.000 2.204 6080 E HA -0.110 4.240 4.350 0.000 0.000 0.194 6080 E C 2.273 178.913 176.600 0.067 0.000 0.989 6080 E CA 0.842 57.266 56.400 0.041 0.000 0.824 6080 E CB -0.111 29.595 29.700 0.011 0.000 0.756 6080 E HN 0.330 nan 8.360 nan 0.000 0.477 6081 L N 0.555 121.844 121.223 0.111 0.000 2.156 6081 L HA -0.103 4.237 4.340 0.000 0.000 0.208 6081 L C 2.555 179.528 176.870 0.173 0.000 1.095 6081 L CA 0.738 55.672 54.840 0.157 0.000 0.770 6081 L CB -0.348 41.884 42.059 0.288 0.000 0.914 6081 L HN 0.134 nan 8.230 nan 0.000 0.439 6082 A N -0.408 122.565 122.820 0.254 0.000 1.898 6082 A HA -0.236 4.085 4.320 0.000 0.000 0.216 6082 A C 2.192 179.841 177.584 0.109 0.000 1.181 6082 A CA 1.366 53.533 52.037 0.218 0.000 0.620 6082 A CB -0.414 18.711 19.000 0.209 0.000 0.819 6082 A HN 0.443 nan 8.150 nan 0.000 0.442 6083 Q N -0.514 119.339 119.800 0.088 0.000 2.124 6083 Q HA -0.059 4.282 4.340 0.000 0.000 0.202 6083 Q C 1.749 177.777 176.000 0.047 0.000 0.977 6083 Q CA 1.235 57.075 55.803 0.061 0.000 0.850 6083 Q CB -0.297 28.475 28.738 0.057 0.000 0.901 6083 Q HN 0.665 nan 8.270 nan 0.000 0.429 6084 L N -1.118 120.133 121.223 0.047 0.000 2.552 6084 L HA 0.038 4.378 4.340 0.000 0.000 0.227 6084 L C 1.210 178.089 176.870 0.015 0.000 1.146 6084 L CA 0.645 55.502 54.840 0.028 0.000 0.858 6084 L CB 0.067 42.142 42.059 0.027 0.000 0.969 6084 L HN 0.470 nan 8.230 nan 0.000 0.451 6085 G N -0.661 108.150 108.800 0.018 0.000 2.205 6085 G HA2 -0.173 3.787 3.960 0.000 0.000 0.180 6085 G HA3 -0.173 3.787 3.960 0.000 0.000 0.180 6085 G C 0.214 175.093 174.900 -0.035 0.000 1.004 6085 G CA -0.701 44.398 45.100 -0.001 0.000 0.670 6085 G HN 0.047 nan 8.290 nan 0.000 0.496 6086 I N 1.189 121.721 120.570 -0.064 0.000 2.556 6086 I HA 0.355 4.525 4.170 0.000 0.000 0.284 6086 I C 1.299 177.304 176.117 -0.187 0.000 1.114 6086 I CA 0.112 61.278 61.300 -0.223 0.000 1.418 6086 I CB 1.109 38.837 38.000 -0.452 0.000 1.394 6086 I HN 0.077 nan 8.210 nan 0.000 0.552 6087 R N 2.831 123.206 120.500 -0.209 0.000 2.453 6087 R HA 0.190 4.530 4.340 0.000 0.000 0.233 6087 R C -0.143 176.121 176.300 -0.060 0.000 0.895 6087 R CA 0.264 56.331 56.100 -0.056 0.000 1.028 6087 R CB 0.503 30.793 30.300 -0.017 0.000 1.255 6087 R HN 0.523 nan 8.270 nan 0.000 0.571 6088 T N 1.527 115.935 114.554 -0.244 0.000 2.841 6088 T HA 0.582 4.932 4.350 0.000 0.000 0.285 6088 T C -1.013 173.504 174.700 -0.304 0.000 0.991 6088 T CA -0.288 61.736 62.100 -0.127 0.000 0.966 6088 T CB 1.176 69.999 68.868 -0.075 0.000 0.962 6088 T HN -0.182 nan 8.240 nan 0.000 0.438 6089 F N 2.509 122.456 119.950 -0.006 0.000 2.507 6089 F HA 0.597 5.124 4.527 0.000 0.000 0.325 6089 F C -0.207 175.589 175.800 -0.007 0.000 1.116 6089 F CA -1.182 56.815 58.000 -0.006 0.000 0.930 6089 F CB 1.415 40.406 39.000 -0.014 0.000 1.146 6089 F HN 0.223 nan 8.300 nan 0.000 0.447 6090 L N 4.081 125.393 121.223 0.149 0.000 2.345 6090 L HA 0.493 4.833 4.340 0.000 0.000 0.274 6090 L C -0.079 176.843 176.870 0.087 0.000 0.999 6090 L CA -0.655 54.237 54.840 0.087 0.000 0.849 6090 L CB 1.633 43.714 42.059 0.036 0.000 1.220 6090 L HN 0.604 nan 8.230 nan 0.000 0.422 6091 R N 3.223 123.769 120.500 0.077 0.000 2.390 6091 R HA 0.497 4.837 4.340 0.000 0.000 0.291 6091 R C -0.949 175.373 176.300 0.037 0.000 1.070 6091 R CA -0.464 55.671 56.100 0.059 0.000 1.014 6091 R CB 1.162 31.486 30.300 0.041 0.000 1.007 6091 R HN 0.520 nan 8.270 nan 0.000 0.466 6092 I N 4.035 124.625 120.570 0.034 0.000 2.439 6092 I HA 0.593 4.763 4.170 0.000 0.000 0.285 6092 I C -0.723 175.406 176.117 0.021 0.000 1.021 6092 I CA -0.123 61.191 61.300 0.023 0.000 1.091 6092 I CB 1.668 39.678 38.000 0.016 0.000 1.242 6092 I HN 0.765 nan 8.210 nan 0.000 0.439 6093 G N 4.232 113.044 108.800 0.019 0.000 2.975 6093 G HA2 0.726 4.686 3.960 0.000 0.000 0.291 6093 G HA3 0.726 4.686 3.960 0.000 0.000 0.291 6093 G C -1.052 173.860 174.900 0.020 0.000 1.334 6093 G CA -0.158 44.953 45.100 0.019 0.000 0.843 6093 G HN 0.646 nan 8.290 nan 0.000 0.548 6094 T N -2.979 111.589 114.554 0.024 0.000 2.932 6094 T HA 0.758 5.108 4.350 0.000 0.000 0.289 6094 T C -0.427 174.295 174.700 0.037 0.000 1.039 6094 T CA -0.567 61.551 62.100 0.029 0.000 1.024 6094 T CB 2.060 70.946 68.868 0.030 0.000 1.090 6094 T HN 0.961 nan 8.240 nan 0.000 0.496 6095 T N -0.680 113.896 114.554 0.036 0.000 2.802 6095 T HA 0.650 5.000 4.350 0.000 0.000 0.311 6095 T C -0.737 173.982 174.700 0.032 0.000 1.405 6095 T CA -0.402 61.720 62.100 0.036 0.000 1.016 6095 T CB 1.340 70.221 68.868 0.023 0.000 1.352 6095 T HN 1.184 nan 8.240 nan 0.000 0.498 6096 G N 1.502 110.326 108.800 0.040 0.000 2.384 6096 G HA2 0.646 4.606 3.960 0.000 0.000 0.316 6096 G HA3 0.646 4.606 3.960 0.000 0.000 0.316 6096 G C 0.001 174.917 174.900 0.027 0.000 1.160 6096 G CA -0.172 44.949 45.100 0.036 0.000 0.936 6096 G HN 0.973 nan 8.290 nan 0.000 0.455 6097 A N 2.372 125.180 122.820 -0.020 0.000 2.388 6097 A HA 0.536 4.856 4.320 0.000 0.000 0.257 6097 A C 1.089 178.632 177.584 -0.068 0.000 1.095 6097 A CA -0.457 51.533 52.037 -0.077 0.000 0.791 6097 A CB 0.241 19.166 19.000 -0.124 0.000 1.029 6097 A HN 1.270 nan 8.150 nan 0.000 0.489 6098 I N -1.887 118.616 120.570 -0.111 0.000 4.081 6098 I HA 0.251 4.421 4.170 0.000 0.000 0.333 6098 I C -0.254 175.816 176.117 -0.077 0.000 1.413 6098 I CA -0.296 60.958 61.300 -0.077 0.000 1.110 6098 I CB 0.213 38.142 38.000 -0.119 0.000 1.082 6098 I HN 0.334 nan 8.210 nan 0.000 0.402 6099 Q N 2.936 122.648 119.800 -0.147 0.000 2.293 6099 Q HA 0.375 4.715 4.340 0.000 0.000 0.261 6099 Q C -1.806 174.083 176.000 -0.187 0.000 0.960 6099 Q CA -2.115 53.598 55.803 -0.150 0.000 0.882 6099 Q CB 1.968 30.542 28.738 -0.275 0.000 1.275 6099 Q HN 0.042 nan 8.270 nan 0.000 0.445 6100 P HA -0.200 nan 4.420 nan 0.000 0.219 6100 P C 0.757 178.052 177.300 -0.008 0.000 1.146 6100 P CA 1.603 64.702 63.100 -0.002 0.000 0.808 6100 P CB 0.124 31.856 31.700 0.054 0.000 0.779 6101 H N -1.261 117.777 119.070 -0.053 0.000 2.551 6101 H HA 0.215 4.771 4.556 0.000 0.000 0.266 6101 H C 0.818 176.102 175.328 -0.072 0.000 0.977 6101 H CA -0.289 55.732 56.048 -0.044 0.000 1.163 6101 H CB -0.806 28.939 29.762 -0.029 0.000 1.381 6101 H HN 0.150 nan 8.280 nan 0.000 0.581 6102 I N 2.639 122.892 120.570 -0.529 0.000 2.371 6102 I HA 0.025 4.195 4.170 0.000 0.000 0.290 6102 I C 0.271 176.298 176.117 -0.151 0.000 1.028 6102 I CA -0.371 60.678 61.300 -0.418 0.000 1.345 6102 I CB 0.779 38.443 38.000 -0.560 0.000 1.407 6102 I HN 0.077 nan 8.210 nan 0.000 0.501 6103 N N 5.018 123.695 118.700 -0.039 0.000 2.492 6103 N HA 0.267 5.007 4.740 0.000 0.000 0.289 6103 N C -0.736 174.767 175.510 -0.013 0.000 1.133 6103 N CA -0.455 52.587 53.050 -0.014 0.000 0.961 6103 N CB 1.486 39.981 38.487 0.012 0.000 1.186 6103 N HN 0.259 nan 8.380 nan 0.000 0.493 6104 V N 2.367 122.273 119.914 -0.015 0.000 2.617 6104 V HA 0.283 4.403 4.120 0.000 0.000 0.304 6104 V C 1.511 177.595 176.094 -0.018 0.000 1.040 6104 V CA 1.713 64.007 62.300 -0.012 0.000 1.149 6104 V CB 0.098 31.917 31.823 -0.007 0.000 0.914 6104 V HN 1.033 nan 8.190 nan 0.000 0.487 6105 G N 4.039 112.830 108.800 -0.016 0.000 2.232 6105 G HA2 -0.179 3.781 3.960 0.000 0.000 0.226 6105 G HA3 -0.179 3.781 3.960 0.000 0.000 0.226 6105 G C -0.023 174.856 174.900 -0.036 0.000 0.996 6105 G CA -0.029 45.048 45.100 -0.039 0.000 0.626 6105 G HN 0.658 nan 8.290 nan 0.000 0.509 6106 D N 0.613 121.014 120.400 0.001 0.000 2.423 6106 D HA 0.436 5.076 4.640 0.000 0.000 0.238 6106 D C 0.632 176.964 176.300 0.052 0.000 1.142 6106 D CA 0.159 54.185 54.000 0.044 0.000 0.884 6106 D CB 1.635 42.527 40.800 0.154 0.000 1.199 6106 D HN 0.217 nan 8.370 nan 0.000 0.438 6107 V N 3.298 123.239 119.914 0.046 0.000 2.407 6107 V HA 0.281 4.401 4.120 0.000 0.000 0.278 6107 V C 0.223 176.354 176.094 0.062 0.000 1.037 6107 V CA -0.639 61.687 62.300 0.043 0.000 0.900 6107 V CB 0.889 32.730 31.823 0.030 0.000 0.983 6107 V HN 0.270 nan 8.190 nan 0.000 0.459 6108 L N 5.647 126.906 121.223 0.059 0.000 2.305 6108 L HA 0.595 4.935 4.340 0.000 0.000 0.284 6108 L C -0.629 176.262 176.870 0.034 0.000 1.013 6108 L CA -0.750 54.129 54.840 0.065 0.000 0.819 6108 L CB 1.897 43.985 42.059 0.048 0.000 1.227 6108 L HN 0.328 nan 8.230 nan 0.000 0.417 6109 V N 2.007 121.940 119.914 0.031 0.000 2.370 6109 V HA 0.263 4.383 4.120 0.000 0.000 0.279 6109 V C 0.364 176.465 176.094 0.011 0.000 1.029 6109 V CA -0.355 61.952 62.300 0.012 0.000 0.870 6109 V CB 1.633 33.456 31.823 -0.001 0.000 0.984 6109 V HN 0.737 nan 8.190 nan 0.000 0.451 6110 T N 3.569 118.125 114.554 0.004 0.000 2.749 6110 T HA 0.190 4.540 4.350 0.000 0.000 0.295 6110 T C 1.351 176.053 174.700 0.002 0.000 0.936 6110 T CA 0.234 62.334 62.100 -0.001 0.000 1.060 6110 T CB 1.194 70.057 68.868 -0.008 0.000 0.904 6110 T HN 0.964 nan 8.240 nan 0.000 0.500 6111 T N 0.704 115.262 114.554 0.007 0.000 2.937 6111 T HA 0.466 4.816 4.350 0.000 0.000 0.260 6111 T C 0.716 175.425 174.700 0.014 0.000 1.051 6111 T CA 0.291 62.402 62.100 0.018 0.000 1.141 6111 T CB 0.169 69.054 68.868 0.028 0.000 0.879 6111 T HN 0.748 nan 8.240 nan 0.000 0.459 6112 A N 0.013 122.832 122.820 -0.002 0.000 2.608 6112 A HA 0.685 5.006 4.320 0.000 0.000 0.292 6112 A C -0.991 176.573 177.584 -0.033 0.000 1.066 6112 A CA -0.838 51.194 52.037 -0.009 0.000 0.676 6112 A CB 1.416 20.410 19.000 -0.011 0.000 1.277 6112 A HN 0.229 nan 8.150 nan 0.000 0.413 6113 S N -0.278 115.400 115.700 -0.037 0.000 2.536 6113 S HA 0.592 5.062 4.470 0.000 0.000 0.298 6113 S C -0.430 174.112 174.600 -0.097 0.000 1.083 6113 S CA -0.557 57.601 58.200 -0.071 0.000 0.995 6113 S CB 1.719 64.887 63.200 -0.052 0.000 1.058 6113 S HN 0.833 nan 8.310 nan 0.000 0.488 6114 V N 3.328 123.130 119.914 -0.187 0.000 2.470 6114 V HA 0.175 4.295 4.120 0.000 0.000 0.276 6114 V C 0.593 176.593 176.094 -0.157 0.000 1.040 6114 V CA -0.089 62.057 62.300 -0.256 0.000 1.008 6114 V CB 0.039 31.498 31.823 -0.606 0.000 0.990 6114 V HN 0.697 nan 8.190 nan 0.000 0.477 6115 R N 5.617 126.079 120.500 -0.063 0.000 2.878 6115 R HA 0.259 4.599 4.340 0.000 0.000 0.239 6115 R C 0.139 176.466 176.300 0.046 0.000 1.515 6115 R CA -0.052 56.051 56.100 0.006 0.000 1.210 6115 R CB -0.056 30.273 30.300 0.049 0.000 1.209 6115 R HN 0.663 nan 8.270 nan 0.000 0.610 6116 L N 2.086 123.339 121.223 0.051 0.000 2.848 6116 L HA 0.121 4.461 4.340 0.000 0.000 0.240 6116 L C 0.351 177.300 176.870 0.133 0.000 1.232 6116 L CA -0.260 54.676 54.840 0.160 0.000 1.031 6116 L CB -0.679 41.513 42.059 0.223 0.000 1.338 6116 L HN 0.530 nan 8.230 nan 0.000 0.509 6117 D N -1.201 119.251 120.400 0.087 0.000 2.616 6117 D HA 0.351 4.991 4.640 0.000 0.000 0.260 6117 D C 0.763 177.107 176.300 0.074 0.000 1.158 6117 D CA -0.201 53.837 54.000 0.063 0.000 1.085 6117 D CB 1.686 42.505 40.800 0.032 0.000 1.222 6117 D HN -0.083 nan 8.370 nan 0.000 0.626 6118 G N -1.517 107.308 108.800 0.041 0.000 2.707 6118 G HA2 0.276 4.236 3.960 0.000 0.000 0.198 6118 G HA3 0.276 4.236 3.960 0.000 0.000 0.198 6118 G C 1.237 176.123 174.900 -0.023 0.000 1.065 6118 G CA 0.615 45.742 45.100 0.045 0.000 0.763 6118 G HN 0.615 nan 8.290 nan 0.000 0.625 6119 A N 1.820 124.571 122.820 -0.115 0.000 1.969 6119 A HA 0.014 4.334 4.320 0.000 0.000 0.218 6119 A C 2.657 180.312 177.584 0.119 0.000 1.169 6119 A CA 2.434 54.347 52.037 -0.207 0.000 0.635 6119 A CB -0.677 18.270 19.000 -0.088 0.000 0.810 6119 A HN 0.804 nan 8.150 nan 0.000 0.445 6120 S N 0.320 116.111 115.700 0.151 0.000 2.400 6120 S HA -0.137 4.333 4.470 0.000 0.000 0.232 6120 S C 1.713 176.466 174.600 0.254 0.000 1.025 6120 S CA 1.527 59.860 58.200 0.221 0.000 0.993 6120 S CB -0.786 62.485 63.200 0.119 0.000 0.808 6120 S HN 0.462 nan 8.310 nan 0.000 0.478 6121 L N 0.723 122.072 121.223 0.211 0.000 2.456 6121 L HA 0.002 4.342 4.340 0.000 0.000 0.224 6121 L C 2.259 179.231 176.870 0.170 0.000 1.148 6121 L CA 1.051 56.003 54.840 0.187 0.000 0.825 6121 L CB -0.700 41.468 42.059 0.183 0.000 0.937 6121 L HN 0.507 nan 8.230 nan 0.000 0.450 6122 H N -1.806 117.216 119.070 -0.080 0.000 2.547 6122 H HA 0.039 4.595 4.556 0.000 0.000 0.266 6122 H C 1.130 176.089 175.328 -0.616 0.000 0.988 6122 H CA 0.455 56.300 56.048 -0.338 0.000 1.147 6122 H CB 0.439 29.932 29.762 -0.449 0.000 1.365 6122 H HN 0.349 nan 8.280 nan 0.000 0.589 6123 F N -0.415 119.551 119.950 0.025 0.000 2.747 6123 F HA 0.443 4.970 4.527 0.000 0.000 0.305 6123 F C 0.761 176.468 175.800 -0.156 0.000 1.065 6123 F CA -0.044 57.912 58.000 -0.074 0.000 1.230 6123 F CB 1.117 40.053 39.000 -0.106 0.000 1.027 6123 F HN -0.032 nan 8.300 nan 0.000 0.607 6124 A N 0.458 123.297 122.820 0.032 0.000 2.594 6124 A HA 0.617 4.937 4.320 0.000 0.000 0.296 6124 A C -2.837 174.772 177.584 0.043 0.000 1.061 6124 A CA -1.340 50.657 52.037 -0.067 0.000 0.689 6124 A CB 0.657 19.449 19.000 -0.348 0.000 1.280 6124 A HN -0.176 nan 8.150 nan 0.000 0.406 6125 P HA 0.134 nan 4.420 nan 0.000 0.272 6125 P C 0.819 178.199 177.300 0.133 0.000 1.240 6125 P CA -0.235 62.918 63.100 0.088 0.000 0.791 6125 P CB 0.467 32.215 31.700 0.079 0.000 0.978 6126 M N 1.260 120.925 119.600 0.109 0.000 2.260 6126 M HA -0.185 4.295 4.480 0.000 0.000 0.261 6126 M C 1.404 177.777 176.300 0.122 0.000 1.066 6126 M CA 1.889 57.257 55.300 0.114 0.000 1.082 6126 M CB -1.248 31.405 32.600 0.087 0.000 1.388 6126 M HN 0.301 nan 8.290 nan 0.000 0.419 6127 E N -1.001 119.271 120.200 0.120 0.000 2.268 6127 E HA -0.060 4.290 4.350 0.000 0.000 0.195 6127 E C 0.154 176.824 176.600 0.117 0.000 0.995 6127 E CA 0.459 56.919 56.400 0.099 0.000 0.836 6127 E CB -0.405 29.345 29.700 0.083 0.000 0.763 6127 E HN 0.480 nan 8.360 nan 0.000 0.491 6128 F N 2.488 122.457 119.950 0.033 0.000 2.456 6128 F HA 0.186 4.713 4.527 0.000 0.000 0.358 6128 F C -1.996 173.820 175.800 0.026 0.000 1.095 6128 F CA -2.906 55.113 58.000 0.031 0.000 1.216 6128 F CB 0.618 39.642 39.000 0.041 0.000 1.125 6128 F HN -0.129 nan 8.300 nan 0.000 0.549 6129 P HA 0.165 nan 4.420 nan 0.000 0.280 6129 P C -1.252 176.098 177.300 0.083 0.000 1.244 6129 P CA -0.427 62.616 63.100 -0.095 0.000 0.784 6129 P CB 1.348 32.926 31.700 -0.203 0.000 0.913 6130 A N 4.002 126.883 122.820 0.102 0.000 3.077 6130 A HA 0.249 4.569 4.320 0.000 0.000 0.255 6130 A C 0.333 177.951 177.584 0.057 0.000 1.728 6130 A CA -0.367 51.736 52.037 0.110 0.000 1.383 6130 A CB -0.965 18.070 19.000 0.059 0.000 1.097 6130 A HN 0.471 nan 8.150 nan 0.000 0.634 6131 V N 1.406 121.357 119.914 0.061 0.000 2.567 6131 V HA 0.675 4.795 4.120 0.000 0.000 0.289 6131 V C 0.672 176.800 176.094 0.056 0.000 1.049 6131 V CA -0.140 62.181 62.300 0.035 0.000 0.969 6131 V CB 1.339 33.162 31.823 0.000 0.000 0.995 6131 V HN 0.848 nan 8.190 nan 0.000 0.471 6132 A N 4.231 127.079 122.820 0.046 0.000 2.304 6132 A HA 0.428 4.748 4.320 0.000 0.000 0.271 6132 A C -0.004 177.623 177.584 0.072 0.000 1.091 6132 A CA -0.300 51.766 52.037 0.048 0.000 0.812 6132 A CB 0.270 19.288 19.000 0.029 0.000 1.056 6132 A HN 1.023 nan 8.150 nan 0.000 0.489 6133 D N -0.188 120.255 120.400 0.071 0.000 2.414 6133 D HA 0.129 4.769 4.640 0.000 0.000 0.242 6133 D C 0.629 176.988 176.300 0.098 0.000 1.129 6133 D CA -0.067 53.991 54.000 0.095 0.000 0.885 6133 D CB 0.191 41.040 40.800 0.081 0.000 1.198 6133 D HN 0.368 nan 8.370 nan 0.000 0.437 6134 F N 3.822 123.783 119.950 0.019 0.000 2.134 6134 F HA -0.059 4.468 4.527 0.000 0.000 0.299 6134 F C 2.008 177.816 175.800 0.013 0.000 1.097 6134 F CA 1.645 59.653 58.000 0.013 0.000 1.264 6134 F CB -0.328 38.678 39.000 0.009 0.000 1.001 6134 F HN 0.491 nan 8.300 nan 0.000 0.479 6135 A N -0.746 122.055 122.820 -0.032 0.000 1.930 6135 A HA -0.172 4.148 4.320 0.000 0.000 0.217 6135 A C 2.329 179.828 177.584 -0.141 0.000 1.175 6135 A CA 1.662 53.635 52.037 -0.107 0.000 0.627 6135 A CB -1.611 17.403 19.000 0.023 0.000 0.815 6135 A HN 0.544 nan 8.150 nan 0.000 0.443 6136 C N -1.144 118.110 119.300 -0.077 0.000 2.446 6136 C HA -0.052 4.408 4.460 0.000 0.000 0.277 6136 C C 3.019 177.950 174.990 -0.098 0.000 1.275 6136 C CA 1.476 60.459 59.018 -0.059 0.000 1.727 6136 C CB -1.424 26.313 27.740 -0.006 0.000 2.010 6136 C HN 0.634 nan 8.230 nan 0.000 0.486 6137 T N 0.604 115.078 114.554 -0.133 0.000 2.788 6137 T HA -0.147 4.203 4.350 0.000 0.000 0.268 6137 T C 1.805 176.376 174.700 -0.216 0.000 1.044 6137 T CA 2.070 64.084 62.100 -0.143 0.000 1.139 6137 T CB -0.474 68.322 68.868 -0.120 0.000 0.867 6137 T HN 0.584 nan 8.240 nan 0.000 0.454 6138 T N 2.077 116.401 114.554 -0.382 0.000 2.674 6138 T HA -0.037 4.313 4.350 0.000 0.000 0.265 6138 T C 2.441 177.024 174.700 -0.194 0.000 1.039 6138 T CA 1.224 63.099 62.100 -0.376 0.000 1.150 6138 T CB -0.615 67.914 68.868 -0.564 0.000 0.864 6138 T HN 0.432 nan 8.240 nan 0.000 0.427 6139 A N 1.152 123.877 122.820 -0.158 0.000 1.908 6139 A HA -0.034 4.286 4.320 0.000 0.000 0.218 6139 A C 2.319 179.860 177.584 -0.071 0.000 1.181 6139 A CA 1.324 53.306 52.037 -0.092 0.000 0.627 6139 A CB -0.907 18.051 19.000 -0.071 0.000 0.818 6139 A HN 0.483 nan 8.150 nan 0.000 0.445 6140 L N -0.724 120.456 121.223 -0.072 0.000 2.093 6140 L HA -0.146 4.194 4.340 0.000 0.000 0.208 6140 L C 2.501 179.343 176.870 -0.047 0.000 1.085 6140 L CA 1.000 55.811 54.840 -0.049 0.000 0.755 6140 L CB -0.434 41.601 42.059 -0.040 0.000 0.904 6140 L HN 0.263 nan 8.230 nan 0.000 0.435 6141 V N -0.695 119.181 119.914 -0.064 0.000 2.379 6141 V HA -0.218 3.902 4.120 0.000 0.000 0.245 6141 V C 2.383 178.449 176.094 -0.047 0.000 1.044 6141 V CA 1.485 63.753 62.300 -0.053 0.000 1.036 6141 V CB -0.304 31.481 31.823 -0.063 0.000 0.664 6141 V HN 0.329 nan 8.190 nan 0.000 0.453 6142 E N 0.526 120.692 120.200 -0.055 0.000 2.077 6142 E HA -0.145 4.205 4.350 0.000 0.000 0.193 6142 E C 2.222 178.803 176.600 -0.033 0.000 0.989 6142 E CA 1.485 57.859 56.400 -0.042 0.000 0.800 6142 E CB -0.498 29.174 29.700 -0.048 0.000 0.746 6142 E HN 0.547 nan 8.360 nan 0.000 0.452 6143 A N 0.349 123.149 122.820 -0.034 0.000 1.930 6143 A HA -0.024 4.296 4.320 0.000 0.000 0.217 6143 A C 2.318 179.890 177.584 -0.020 0.000 1.175 6143 A CA 1.736 53.757 52.037 -0.027 0.000 0.627 6143 A CB -0.671 18.312 19.000 -0.028 0.000 0.815 6143 A HN 0.304 nan 8.150 nan 0.000 0.443 6144 A N -0.170 122.638 122.820 -0.019 0.000 1.929 6144 A HA -0.107 4.214 4.320 0.000 0.000 0.216 6144 A C 2.112 179.689 177.584 -0.012 0.000 1.176 6144 A CA 1.803 53.834 52.037 -0.011 0.000 0.628 6144 A CB -0.399 18.592 19.000 -0.015 0.000 0.816 6144 A HN 0.536 nan 8.150 nan 0.000 0.444 6145 K N 0.561 120.950 120.400 -0.019 0.000 2.097 6145 K HA -0.146 4.174 4.320 0.000 0.000 0.206 6145 K C 2.173 178.766 176.600 -0.012 0.000 1.049 6145 K CA 1.773 58.049 56.287 -0.018 0.000 0.933 6145 K CB -0.186 32.302 32.500 -0.020 0.000 0.717 6145 K HN 0.589 nan 8.250 nan 0.000 0.442 6146 S N 0.870 116.562 115.700 -0.014 0.000 2.447 6146 S HA -0.116 4.354 4.470 0.000 0.000 0.233 6146 S C 1.849 176.443 174.600 -0.009 0.000 1.006 6146 S CA 0.951 59.144 58.200 -0.012 0.000 0.957 6146 S CB -0.556 62.635 63.200 -0.016 0.000 0.773 6146 S HN 0.572 nan 8.310 nan 0.000 0.507 6147 I N -2.614 117.952 120.570 -0.006 0.000 4.018 6147 I HA 0.559 4.729 4.170 0.000 0.000 0.337 6147 I C 1.229 177.359 176.117 0.022 0.000 1.327 6147 I CA 0.104 61.404 61.300 0.000 0.000 1.100 6147 I CB -0.304 37.690 38.000 -0.011 0.000 1.025 6147 I HN 0.301 nan 8.210 nan 0.000 0.396 6148 G N 2.031 110.839 108.800 0.014 0.000 2.198 6148 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 6148 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 6148 G C 0.412 175.327 174.900 0.025 0.000 1.025 6148 G CA 0.212 45.320 45.100 0.014 0.000 0.769 6148 G HN 0.969 nan 8.290 nan 0.000 0.507 6149 A N -0.195 122.649 122.820 0.040 0.000 2.407 6149 A HA 0.658 4.978 4.320 0.000 0.000 0.248 6149 A C 0.942 178.510 177.584 -0.027 0.000 1.082 6149 A CA 0.824 52.887 52.037 0.044 0.000 0.785 6149 A CB 0.375 19.430 19.000 0.092 0.000 1.020 6149 A HN 0.822 nan 8.150 nan 0.000 0.489 6150 T N 3.086 117.606 114.554 -0.056 0.000 2.761 6150 T HA 0.361 4.711 4.350 0.000 0.000 0.287 6150 T C 0.190 174.792 174.700 -0.162 0.000 0.931 6150 T CA 0.733 62.767 62.100 -0.109 0.000 1.164 6150 T CB -0.356 68.468 68.868 -0.074 0.000 0.876 6150 T HN 0.653 nan 8.240 nan 0.000 0.534 6151 T N 4.389 118.792 114.554 -0.251 0.000 2.887 6151 T HA 0.423 4.773 4.350 0.000 0.000 0.288 6151 T C -0.662 173.773 174.700 -0.441 0.000 1.021 6151 T CA -0.801 61.156 62.100 -0.237 0.000 1.000 6151 T CB 1.095 69.901 68.868 -0.103 0.000 1.034 6151 T HN 0.519 nan 8.240 nan 0.000 0.467 6152 H N 0.856 119.933 119.070 0.011 0.000 2.609 6152 H HA 0.514 5.070 4.556 0.000 0.000 0.344 6152 H C -1.058 174.277 175.328 0.010 0.000 1.040 6152 H CA -0.442 55.618 56.048 0.020 0.000 1.216 6152 H CB 1.774 31.546 29.762 0.017 0.000 1.529 6152 H HN 0.266 nan 8.280 nan 0.000 0.519 6153 V N 2.550 122.531 119.914 0.112 0.000 2.417 6153 V HA 0.743 4.863 4.120 0.000 0.000 0.291 6153 V C 0.604 176.736 176.094 0.063 0.000 1.024 6153 V CA -0.155 62.182 62.300 0.063 0.000 0.861 6153 V CB 1.402 33.246 31.823 0.034 0.000 0.985 6153 V HN 1.075 nan 8.190 nan 0.000 0.436 6154 G N 3.100 111.924 108.800 0.040 0.000 2.336 6154 G HA2 0.382 4.342 3.960 0.000 0.000 0.286 6154 G HA3 0.382 4.342 3.960 0.000 0.000 0.286 6154 G C -1.369 173.532 174.900 0.002 0.000 1.269 6154 G CA -0.468 44.648 45.100 0.027 0.000 0.873 6154 G HN 0.506 nan 8.290 nan 0.000 0.494 6155 V N 0.642 120.547 119.914 -0.014 0.000 2.649 6155 V HA 0.634 4.755 4.120 0.000 0.000 0.292 6155 V C 0.390 176.435 176.094 -0.082 0.000 1.055 6155 V CA 0.066 62.338 62.300 -0.046 0.000 1.023 6155 V CB 1.302 33.094 31.823 -0.052 0.000 0.992 6155 V HN 0.809 nan 8.190 nan 0.000 0.480 6156 T N 3.032 117.524 114.554 -0.104 0.000 2.876 6156 T HA 0.668 5.018 4.350 0.000 0.000 0.289 6156 T C -0.218 174.363 174.700 -0.197 0.000 1.014 6156 T CA -0.323 61.698 62.100 -0.132 0.000 0.986 6156 T CB 1.728 70.551 68.868 -0.075 0.000 1.021 6156 T HN 0.925 nan 8.240 nan 0.000 0.458 6157 A N 1.951 124.611 122.820 -0.267 0.000 2.260 6157 A HA 0.644 4.964 4.320 0.000 0.000 0.308 6157 A C 0.292 177.839 177.584 -0.061 0.000 1.254 6157 A CA -0.476 51.369 52.037 -0.319 0.000 0.874 6157 A CB 0.439 19.095 19.000 -0.574 0.000 1.153 6157 A HN 0.625 nan 8.150 nan 0.000 0.527 6158 S N 2.179 117.839 115.700 -0.065 0.000 2.461 6158 S HA 0.498 4.968 4.470 0.000 0.000 0.322 6158 S C 0.030 174.632 174.600 0.003 0.000 1.063 6158 S CA -0.325 57.868 58.200 -0.011 0.000 1.120 6158 S CB 0.320 63.505 63.200 -0.024 0.000 0.968 6158 S HN 0.939 nan 8.310 nan 0.000 0.467 6159 S N 3.138 118.836 115.700 -0.003 0.000 2.565 6159 S HA 0.343 4.814 4.470 0.000 0.000 0.290 6159 S C 0.530 175.097 174.600 -0.055 0.000 1.150 6159 S CA -0.576 57.596 58.200 -0.046 0.000 1.058 6159 S CB 1.133 64.232 63.200 -0.168 0.000 1.032 6159 S HN 0.726 nan 8.310 nan 0.000 0.510 6160 D N 1.574 121.946 120.400 -0.046 0.000 2.363 6160 D HA 0.122 4.762 4.640 0.000 0.000 0.220 6160 D C 0.658 176.929 176.300 -0.049 0.000 0.994 6160 D CA 0.750 54.732 54.000 -0.029 0.000 0.890 6160 D CB 0.198 41.001 40.800 0.004 0.000 0.906 6160 D HN 0.711 nan 8.370 nan 0.000 0.530 6161 T N -4.114 110.374 114.554 -0.110 0.000 2.906 6161 T HA 0.291 4.641 4.350 0.000 0.000 0.295 6161 T C 0.358 174.980 174.700 -0.129 0.000 1.075 6161 T CA -0.879 61.170 62.100 -0.085 0.000 1.005 6161 T CB 1.143 69.946 68.868 -0.108 0.000 1.136 6161 T HN -0.117 nan 8.240 nan 0.000 0.498 6162 F N -0.064 119.736 119.950 -0.251 0.000 2.530 6162 F HA 0.265 4.792 4.527 0.000 0.000 0.292 6162 F C 0.939 176.382 175.800 -0.596 0.000 1.109 6162 F CA 0.457 58.193 58.000 -0.440 0.000 1.450 6162 F CB 0.008 38.695 39.000 -0.521 0.000 1.114 6162 F HN 0.681 nan 8.300 nan 0.000 0.560 6163 Y N 0.992 121.255 120.300 -0.061 0.000 2.344 6163 Y HA 0.150 4.700 4.550 0.000 0.000 0.261 6163 Y C -0.408 175.316 175.900 -0.293 0.000 1.080 6163 Y CA 0.551 58.562 58.100 -0.149 0.000 1.151 6163 Y CB -1.900 36.560 38.460 -0.001 0.000 1.059 6163 Y HN -0.213 nan 8.280 nan 0.000 0.490 6164 P HA -0.108 nan 4.420 nan 0.000 0.217 6164 P C 1.496 178.497 177.300 -0.498 0.000 1.150 6164 P CA 2.202 65.148 63.100 -0.257 0.000 0.832 6164 P CB -0.217 31.390 31.700 -0.155 0.000 0.787 6165 G N -0.074 108.302 108.800 -0.707 0.000 2.498 6165 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 6165 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 6165 G C 1.411 175.897 174.900 -0.691 0.000 1.119 6165 G CA 0.315 44.713 45.100 -1.169 0.000 0.766 6165 G HN 0.384 nan 8.290 nan 0.000 0.552 6166 Q N -0.654 118.741 119.800 -0.674 0.000 2.188 6166 Q HA 0.196 4.536 4.340 0.000 0.000 0.212 6166 Q C -0.037 175.657 176.000 -0.511 0.000 0.846 6166 Q CA -0.276 54.914 55.803 -1.021 0.000 0.989 6166 Q CB 0.501 28.488 28.738 -1.253 0.000 1.114 6166 Q HN 0.595 nan 8.270 nan 0.000 0.488 6167 E N 1.639 121.661 120.200 -0.298 0.000 2.228 6167 E HA -0.233 4.117 4.350 0.000 0.000 0.213 6167 E C -0.961 175.506 176.600 -0.222 0.000 1.282 6167 E CA 0.174 56.452 56.400 -0.203 0.000 0.707 6167 E CB -0.314 29.424 29.700 0.063 0.000 1.150 6167 E HN 0.299 nan 8.360 nan 0.000 0.362 6168 R N 0.451 120.788 120.500 -0.271 0.000 2.265 6168 R HA 0.219 4.559 4.340 0.000 0.000 0.319 6168 R C 0.109 176.333 176.300 -0.127 0.000 1.006 6168 R CA -0.294 55.751 56.100 -0.093 0.000 0.880 6168 R CB 0.567 30.844 30.300 -0.039 0.000 1.077 6168 R HN 0.218 nan 8.270 nan 0.000 0.454 6169 Y N -0.382 119.956 120.300 0.063 0.000 2.449 6169 Y HA 0.058 4.608 4.550 0.000 0.000 0.254 6169 Y C 0.731 176.660 175.900 0.048 0.000 1.140 6169 Y CA -0.042 58.088 58.100 0.050 0.000 1.272 6169 Y CB 0.650 39.129 38.460 0.031 0.000 1.114 6169 Y HN 0.467 nan 8.280 nan 0.000 0.525 6170 D N 1.975 122.497 120.400 0.203 0.000 2.767 6170 D HA 0.037 4.677 4.640 0.000 0.000 0.231 6170 D C 0.250 176.599 176.300 0.082 0.000 1.105 6170 D CA 0.419 54.504 54.000 0.141 0.000 1.024 6170 D CB 0.032 40.922 40.800 0.150 0.000 1.123 6170 D HN 0.312 nan 8.370 nan 0.000 0.470 6171 T N -3.157 111.417 114.554 0.035 0.000 2.773 6171 T HA 0.142 4.492 4.350 0.000 0.000 0.278 6171 T C 1.145 175.841 174.700 -0.007 0.000 1.011 6171 T CA -0.807 61.260 62.100 -0.056 0.000 1.014 6171 T CB 0.910 69.717 68.868 -0.102 0.000 1.293 6171 T HN 0.144 nan 8.240 nan 0.000 0.554 6172 Y N 1.182 121.409 120.300 -0.122 0.000 2.128 6172 Y HA -0.145 4.405 4.550 0.000 0.000 0.284 6172 Y C 2.776 178.652 175.900 -0.039 0.000 1.154 6172 Y CA 2.602 60.656 58.100 -0.077 0.000 1.149 6172 Y CB -0.218 38.189 38.460 -0.089 0.000 0.976 6172 Y HN 0.740 nan 8.280 nan 0.000 0.505 6173 S N -1.210 114.396 115.700 -0.156 0.000 2.439 6173 S HA 0.170 4.640 4.470 0.000 0.000 0.224 6173 S C 1.833 176.378 174.600 -0.091 0.000 1.029 6173 S CA 0.596 58.679 58.200 -0.194 0.000 0.946 6173 S CB -0.267 62.903 63.200 -0.052 0.000 0.797 6173 S HN 0.950 nan 8.310 nan 0.000 0.504 6174 G N 2.107 110.896 108.800 -0.018 0.000 2.155 6174 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 6174 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 6174 G C 0.040 175.036 174.900 0.160 0.000 0.983 6174 G CA 0.478 45.622 45.100 0.073 0.000 0.676 6174 G HN 1.023 nan 8.290 nan 0.000 0.528 6175 R N -1.371 119.178 120.500 0.081 0.000 2.832 6175 R HA 0.833 5.173 4.340 0.000 0.000 0.271 6175 R C -1.162 175.139 176.300 0.001 0.000 0.996 6175 R CA -0.984 55.180 56.100 0.107 0.000 0.977 6175 R CB 2.219 32.560 30.300 0.068 0.000 1.168 6175 R HN 0.266 nan 8.270 nan 0.000 0.482 6176 V N 2.508 122.433 119.914 0.018 0.000 2.577 6176 V HA 0.229 4.349 4.120 0.000 0.000 0.303 6176 V C -0.055 176.086 176.094 0.078 0.000 1.042 6176 V CA -1.026 61.247 62.300 -0.045 0.000 0.872 6176 V CB 1.791 33.478 31.823 -0.226 0.000 0.998 6176 V HN 0.700 nan 8.190 nan 0.000 0.423 6177 V N 6.039 126.021 119.914 0.113 0.000 2.928 6177 V HA 0.026 4.146 4.120 0.000 0.000 0.307 6177 V C 1.873 178.038 176.094 0.118 0.000 1.105 6177 V CA 0.921 63.297 62.300 0.127 0.000 1.223 6177 V CB 0.806 32.728 31.823 0.165 0.000 0.930 6177 V HN 0.982 nan 8.190 nan 0.000 0.499 6178 R N 3.710 124.249 120.500 0.065 0.000 2.159 6178 R HA -0.254 4.086 4.340 0.000 0.000 0.249 6178 R C 2.328 178.612 176.300 -0.027 0.000 1.136 6178 R CA 2.703 58.818 56.100 0.025 0.000 0.951 6178 R CB -0.429 29.875 30.300 0.006 0.000 0.876 6178 R HN 0.857 nan 8.270 nan 0.000 0.440 6179 R N -0.714 119.734 120.500 -0.088 0.000 2.139 6179 R HA -0.179 4.161 4.340 0.000 0.000 0.243 6179 R C 1.391 177.407 176.300 -0.474 0.000 1.145 6179 R CA 2.065 57.982 56.100 -0.305 0.000 0.976 6179 R CB -0.181 29.856 30.300 -0.437 0.000 0.866 6179 R HN 0.329 nan 8.270 nan 0.000 0.449 6180 F N 0.169 120.133 119.950 0.024 0.000 2.721 6180 F HA 0.274 4.801 4.527 0.000 0.000 0.301 6180 F C 0.426 176.229 175.800 0.005 0.000 1.096 6180 F CA -0.301 57.712 58.000 0.022 0.000 1.308 6180 F CB 0.417 39.432 39.000 0.025 0.000 1.086 6180 F HN -0.303 nan 8.300 nan 0.000 0.587 6181 K N 0.811 121.292 120.400 0.136 0.000 2.416 6181 K HA 0.262 4.582 4.320 0.000 0.000 0.283 6181 K C 1.168 177.812 176.600 0.074 0.000 1.037 6181 K CA 0.804 57.179 56.287 0.147 0.000 0.995 6181 K CB 0.340 32.917 32.500 0.129 0.000 0.938 6181 K HN 0.356 nan 8.250 nan 0.000 0.475 6182 G N 1.838 110.699 108.800 0.100 0.000 2.162 6182 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 6182 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 6182 G C 0.977 175.826 174.900 -0.085 0.000 0.976 6182 G CA 0.874 45.983 45.100 0.014 0.000 0.655 6182 G HN 0.691 nan 8.290 nan 0.000 0.533 6183 S N -0.541 115.111 115.700 -0.079 0.000 2.368 6183 S HA -0.008 4.462 4.470 0.000 0.000 0.224 6183 S C 2.292 176.638 174.600 -0.423 0.000 1.029 6183 S CA 1.709 59.715 58.200 -0.323 0.000 0.988 6183 S CB -0.333 62.849 63.200 -0.030 0.000 0.838 6183 S HN 0.748 nan 8.310 nan 0.000 0.462 6184 M N 1.438 121.049 119.600 0.018 0.000 2.108 6184 M HA -0.137 4.343 4.480 0.000 0.000 0.261 6184 M C 2.452 178.764 176.300 0.021 0.000 1.066 6184 M CA 2.091 57.491 55.300 0.168 0.000 1.107 6184 M CB -0.288 32.489 32.600 0.295 0.000 1.356 6184 M HN 0.355 nan 8.290 nan 0.000 0.406 6185 E N 0.509 120.696 120.200 -0.023 0.000 2.110 6185 E HA -0.276 4.074 4.350 0.000 0.000 0.193 6185 E C 1.681 178.233 176.600 -0.080 0.000 0.988 6185 E CA 1.839 58.220 56.400 -0.031 0.000 0.804 6185 E CB -0.209 29.473 29.700 -0.030 0.000 0.745 6185 E HN 0.732 nan 8.360 nan 0.000 0.458 6186 E N -0.510 119.563 120.200 -0.212 0.000 2.031 6186 E HA -0.163 4.187 4.350 0.000 0.000 0.193 6186 E C 2.107 178.630 176.600 -0.128 0.000 0.994 6186 E CA 1.626 57.862 56.400 -0.273 0.000 0.800 6186 E CB -0.345 29.034 29.700 -0.534 0.000 0.752 6186 E HN 0.357 nan 8.360 nan 0.000 0.447 6187 W N 0.978 122.277 121.300 -0.002 0.000 2.338 6187 W HA -0.219 4.441 4.660 0.000 0.000 0.304 6187 W C 2.651 179.132 176.519 -0.063 0.000 1.212 6187 W CA 0.737 58.055 57.345 -0.046 0.000 1.264 6187 W CB -0.258 29.135 29.460 -0.112 0.000 1.142 6187 W HN 0.286 nan 8.180 nan 0.000 0.512 6188 Q N 0.821 120.709 119.800 0.146 0.000 2.084 6188 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 6188 Q C 2.353 178.389 176.000 0.059 0.000 0.978 6188 Q CA 2.047 57.892 55.803 0.069 0.000 0.844 6188 Q CB -0.400 28.362 28.738 0.040 0.000 0.898 6188 Q HN 0.240 nan 8.270 nan 0.000 0.426 6189 A N 0.186 123.033 122.820 0.045 0.000 2.067 6189 A HA -0.080 4.240 4.320 0.000 0.000 0.219 6189 A C 1.809 179.422 177.584 0.049 0.000 1.158 6189 A CA 1.065 53.121 52.037 0.032 0.000 0.661 6189 A CB -0.299 18.705 19.000 0.007 0.000 0.801 6189 A HN 0.462 nan 8.150 nan 0.000 0.452 6190 M N -1.366 118.285 119.600 0.086 0.000 2.561 6190 M HA 0.166 4.646 4.480 0.000 0.000 0.238 6190 M C 1.384 177.733 176.300 0.081 0.000 1.131 6190 M CA 0.777 56.137 55.300 0.100 0.000 1.046 6190 M CB 0.270 32.976 32.600 0.177 0.000 1.532 6190 M HN 0.607 nan 8.290 nan 0.000 0.497 6191 G N 0.378 109.219 108.800 0.069 0.000 2.175 6191 G HA2 -0.211 3.749 3.960 0.000 0.000 0.244 6191 G HA3 -0.211 3.749 3.960 0.000 0.000 0.244 6191 G C 0.147 175.067 174.900 0.033 0.000 0.982 6191 G CA -0.175 44.956 45.100 0.052 0.000 0.641 6191 G HN 0.295 nan 8.290 nan 0.000 0.527 6192 V N 2.164 122.097 119.914 0.032 0.000 2.617 6192 V HA 0.143 4.263 4.120 0.000 0.000 0.304 6192 V C 1.876 177.927 176.094 -0.072 0.000 1.040 6192 V CA 1.416 63.693 62.300 -0.038 0.000 1.149 6192 V CB 1.073 32.853 31.823 -0.071 0.000 0.914 6192 V HN 0.421 nan 8.190 nan 0.000 0.487 6193 M N 3.184 122.727 119.600 -0.094 0.000 2.357 6193 M HA 0.120 4.600 4.480 0.000 0.000 0.266 6193 M C 0.697 176.901 176.300 -0.159 0.000 1.095 6193 M CA 0.951 56.182 55.300 -0.116 0.000 1.156 6193 M CB -0.048 32.502 32.600 -0.084 0.000 1.365 6193 M HN 0.939 nan 8.290 nan 0.000 0.447 6194 N N -1.581 117.013 118.700 -0.178 0.000 3.277 6194 N HA 0.245 4.985 4.740 0.000 0.000 0.278 6194 N C -1.862 173.517 175.510 -0.218 0.000 1.544 6194 N CA -0.650 52.297 53.050 -0.171 0.000 0.869 6194 N CB 1.300 39.741 38.487 -0.077 0.000 1.584 6194 N HN -0.097 nan 8.380 nan 0.000 0.564 6195 Y N -0.652 119.600 120.300 -0.079 0.000 2.462 6195 Y HA 0.522 5.072 4.550 0.000 0.000 0.346 6195 Y C -0.119 175.727 175.900 -0.090 0.000 0.976 6195 Y CA -0.288 57.752 58.100 -0.101 0.000 1.044 6195 Y CB 1.794 40.179 38.460 -0.125 0.000 1.230 6195 Y HN 0.837 nan 8.280 nan 0.000 0.455 6196 E N -0.082 120.183 120.200 0.110 0.000 2.415 6196 E HA 0.513 4.863 4.350 0.000 0.000 0.271 6196 E C -1.313 175.299 176.600 0.020 0.000 1.094 6196 E CA -0.765 55.662 56.400 0.044 0.000 0.881 6196 E CB 1.161 30.880 29.700 0.031 0.000 1.581 6196 E HN 0.430 nan 8.360 nan 0.000 0.460 6197 M N -0.306 119.303 119.600 0.014 0.000 2.504 6197 M HA 0.364 4.844 4.480 0.000 0.000 0.370 6197 M C -0.253 176.046 176.300 -0.002 0.000 1.110 6197 M CA 0.131 55.431 55.300 0.001 0.000 0.938 6197 M CB 0.697 33.300 32.600 0.006 0.000 1.460 6197 M HN 0.517 nan 8.290 nan 0.000 0.535 6198 E N -0.649 119.549 120.200 -0.003 0.000 2.467 6198 E HA 0.065 4.415 4.350 0.000 0.000 0.213 6198 E C 1.854 178.440 176.600 -0.023 0.000 0.823 6198 E CA 0.715 57.108 56.400 -0.011 0.000 1.233 6198 E CB 0.254 29.951 29.700 -0.004 0.000 1.233 6198 E HN 0.316 nan 8.360 nan 0.000 0.585 6199 S N 1.236 116.925 115.700 -0.018 0.000 2.374 6199 S HA -0.207 4.263 4.470 0.000 0.000 0.227 6199 S C 2.239 176.821 174.600 -0.029 0.000 1.037 6199 S CA 1.218 59.404 58.200 -0.024 0.000 1.024 6199 S CB -0.478 62.711 63.200 -0.018 0.000 0.861 6199 S HN 0.247 nan 8.310 nan 0.000 0.456 6200 A N 1.844 124.650 122.820 -0.023 0.000 1.865 6200 A HA -0.079 4.242 4.320 0.000 0.000 0.217 6200 A C 2.499 180.072 177.584 -0.018 0.000 1.191 6200 A CA 2.328 54.358 52.037 -0.011 0.000 0.623 6200 A CB -1.788 17.211 19.000 -0.002 0.000 0.826 6200 A HN 0.594 nan 8.150 nan 0.000 0.444 6201 T N -0.017 114.518 114.554 -0.032 0.000 2.708 6201 T HA -0.129 4.222 4.350 0.000 0.000 0.266 6201 T C 1.883 176.485 174.700 -0.164 0.000 1.037 6201 T CA 1.515 63.577 62.100 -0.063 0.000 1.146 6201 T CB -0.454 68.387 68.868 -0.046 0.000 0.865 6201 T HN 0.368 nan 8.240 nan 0.000 0.435 6202 L N 1.190 122.326 121.223 -0.145 0.000 1.989 6202 L HA -0.026 4.314 4.340 0.000 0.000 0.211 6202 L C 2.192 178.953 176.870 -0.183 0.000 1.071 6202 L CA 1.751 56.471 54.840 -0.199 0.000 0.749 6202 L CB -0.743 41.238 42.059 -0.130 0.000 0.890 6202 L HN 0.243 nan 8.230 nan 0.000 0.431 6203 L N -1.203 119.965 121.223 -0.092 0.000 2.083 6203 L HA -0.170 4.170 4.340 0.000 0.000 0.209 6203 L C 2.340 179.197 176.870 -0.021 0.000 1.083 6203 L CA 1.567 56.384 54.840 -0.039 0.000 0.752 6203 L CB -1.208 40.853 42.059 0.003 0.000 0.899 6203 L HN 0.337 nan 8.230 nan 0.000 0.433 6204 T N 0.676 115.206 114.554 -0.040 0.000 2.732 6204 T HA -0.179 4.171 4.350 0.000 0.000 0.261 6204 T C 1.882 176.459 174.700 -0.205 0.000 1.040 6204 T CA 1.761 63.850 62.100 -0.017 0.000 1.145 6204 T CB -0.228 68.654 68.868 0.024 0.000 0.866 6204 T HN 0.433 nan 8.240 nan 0.000 0.427 6205 M N 0.283 119.615 119.600 -0.446 0.000 2.279 6205 M HA -0.030 4.450 4.480 0.000 0.000 0.264 6205 M C 2.168 178.193 176.300 -0.459 0.000 1.062 6205 M CA 1.479 56.279 55.300 -0.833 0.000 1.099 6205 M CB -1.103 30.490 32.600 -1.679 0.000 1.394 6205 M HN 0.193 nan 8.290 nan 0.000 0.426 6206 C N 1.189 120.307 119.300 -0.303 0.000 2.522 6206 C HA 0.222 4.682 4.460 0.000 0.000 0.280 6206 C C 3.282 178.249 174.990 -0.039 0.000 1.303 6206 C CA 0.875 59.798 59.018 -0.159 0.000 1.709 6206 C CB -1.015 26.655 27.740 -0.116 0.000 2.071 6206 C HN 0.758 nan 8.230 nan 0.000 0.492 6207 A N 1.043 123.875 122.820 0.020 0.000 2.019 6207 A HA -0.136 4.184 4.320 0.000 0.000 0.219 6207 A C 2.130 179.808 177.584 0.156 0.000 1.164 6207 A CA 2.167 54.296 52.037 0.153 0.000 0.644 6207 A CB -0.589 18.595 19.000 0.306 0.000 0.805 6207 A HN 0.714 nan 8.150 nan 0.000 0.449 6208 S N -1.879 113.777 115.700 -0.074 0.000 2.556 6208 S HA 0.177 4.647 4.470 0.000 0.000 0.216 6208 S C 0.813 175.362 174.600 -0.085 0.000 0.970 6208 S CA 0.147 58.211 58.200 -0.228 0.000 0.912 6208 S CB 0.051 62.869 63.200 -0.637 0.000 0.790 6208 S HN 0.627 nan 8.310 nan 0.000 0.504 6209 Q N 0.420 120.198 119.800 -0.037 0.000 2.089 6209 Q HA 0.353 4.693 4.340 0.000 0.000 0.248 6209 Q C 0.577 176.594 176.000 0.028 0.000 0.828 6209 Q CA -0.029 55.774 55.803 -0.000 0.000 1.102 6209 Q CB 0.970 29.704 28.738 -0.007 0.000 1.221 6209 Q HN 0.603 nan 8.270 nan 0.000 0.455 6210 G N 1.459 110.286 108.800 0.044 0.000 2.198 6210 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 6210 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 6210 G C -0.122 174.820 174.900 0.071 0.000 1.025 6210 G CA 0.294 45.429 45.100 0.059 0.000 0.769 6210 G HN 0.290 nan 8.290 nan 0.000 0.507 6211 L N -0.618 120.650 121.223 0.076 0.000 2.334 6211 L HA 0.651 4.991 4.340 0.000 0.000 0.273 6211 L C 0.902 177.848 176.870 0.126 0.000 1.013 6211 L CA -1.166 53.750 54.840 0.126 0.000 0.816 6211 L CB 1.508 43.663 42.059 0.160 0.000 1.278 6211 L HN 0.064 nan 8.230 nan 0.000 0.431 6212 R N 1.695 122.285 120.500 0.150 0.000 2.404 6212 R HA 0.802 5.142 4.340 0.000 0.000 0.291 6212 R C -0.740 175.661 176.300 0.167 0.000 1.025 6212 R CA -0.561 55.614 56.100 0.124 0.000 0.991 6212 R CB 1.693 32.045 30.300 0.086 0.000 1.053 6212 R HN 0.710 nan 8.270 nan 0.000 0.479 6213 A N 1.152 124.043 122.820 0.117 0.000 2.520 6213 A HA 0.729 5.049 4.320 0.000 0.000 0.298 6213 A C -0.791 176.833 177.584 0.067 0.000 1.051 6213 A CA -0.630 51.476 52.037 0.116 0.000 0.690 6213 A CB 2.130 21.171 19.000 0.068 0.000 1.281 6213 A HN 0.766 nan 8.150 nan 0.000 0.402 6214 G N -0.094 108.743 108.800 0.062 0.000 2.498 6214 G HA2 0.698 4.658 3.960 0.000 0.000 0.312 6214 G HA3 0.698 4.658 3.960 0.000 0.000 0.312 6214 G C -1.040 173.877 174.900 0.029 0.000 1.230 6214 G CA -0.589 44.528 45.100 0.029 0.000 0.968 6214 G HN 1.170 nan 8.290 nan 0.000 0.481 6215 M N 1.857 121.466 119.600 0.014 0.000 2.224 6215 M HA 0.677 5.157 4.480 0.000 0.000 0.281 6215 M C -1.829 174.476 176.300 0.009 0.000 1.025 6215 M CA -0.848 54.459 55.300 0.013 0.000 0.954 6215 M CB 1.833 34.437 32.600 0.007 0.000 1.639 6215 M HN 0.723 nan 8.290 nan 0.000 0.461 6216 V N 4.124 124.045 119.914 0.012 0.000 2.971 6216 V HA 1.056 5.176 4.120 0.000 0.000 0.309 6216 V C -1.719 174.385 176.094 0.016 0.000 1.130 6216 V CA 0.253 62.560 62.300 0.012 0.000 0.964 6216 V CB 1.996 33.824 31.823 0.010 0.000 1.029 6216 V HN 1.278 nan 8.190 nan 0.000 0.427 6217 A N 3.566 126.398 122.820 0.019 0.000 2.606 6217 A HA 0.942 5.262 4.320 0.000 0.000 0.293 6217 A C -0.320 177.279 177.584 0.026 0.000 1.082 6217 A CA -0.177 51.873 52.037 0.021 0.000 0.685 6217 A CB 1.818 20.829 19.000 0.019 0.000 1.284 6217 A HN 1.708 nan 8.150 nan 0.000 0.408 6218 G N -0.234 108.582 108.800 0.026 0.000 2.371 6218 G HA2 0.542 4.502 3.960 0.000 0.000 0.326 6218 G HA3 0.542 4.502 3.960 0.000 0.000 0.326 6218 G C -0.608 174.305 174.900 0.021 0.000 1.127 6218 G CA -0.424 44.692 45.100 0.027 0.000 0.885 6218 G HN 0.936 nan 8.290 nan 0.000 0.477 6219 V N 3.124 123.048 119.914 0.016 0.000 2.470 6219 V HA 0.111 4.232 4.120 0.000 0.000 0.276 6219 V C 1.355 177.454 176.094 0.009 0.000 1.040 6219 V CA 0.136 62.441 62.300 0.008 0.000 1.008 6219 V CB 0.814 32.634 31.823 -0.006 0.000 0.990 6219 V HN 0.751 nan 8.190 nan 0.000 0.477 6220 I N 3.205 123.785 120.570 0.017 0.000 4.181 6220 I HA 0.532 4.702 4.170 0.000 0.000 0.331 6220 I C 0.208 176.339 176.117 0.024 0.000 1.312 6220 I CA 0.274 61.587 61.300 0.022 0.000 1.146 6220 I CB 1.098 39.117 38.000 0.032 0.000 1.074 6220 I HN 0.426 nan 8.210 nan 0.000 0.402 6221 V N 1.374 121.300 119.914 0.020 0.000 3.077 6221 V HA 0.430 4.550 4.120 0.000 0.000 0.299 6221 V C -1.852 174.245 176.094 0.005 0.000 1.276 6221 V CA -0.595 61.716 62.300 0.019 0.000 0.993 6221 V CB 2.362 34.205 31.823 0.034 0.000 1.076 6221 V HN 0.346 nan 8.190 nan 0.000 0.434 6222 N N 4.723 123.424 118.700 0.002 0.000 2.476 6222 N HA 0.372 5.112 4.740 0.000 0.000 0.257 6222 N C 0.698 176.213 175.510 0.008 0.000 0.970 6222 N CA -0.577 52.466 53.050 -0.011 0.000 0.938 6222 N CB 1.559 40.031 38.487 -0.024 0.000 1.144 6222 N HN 0.610 nan 8.380 nan 0.000 0.500 6223 R N 0.889 121.402 120.500 0.021 0.000 2.241 6223 R HA -0.058 4.282 4.340 0.000 0.000 0.224 6223 R C 1.482 177.810 176.300 0.047 0.000 1.101 6223 R CA 1.013 57.142 56.100 0.048 0.000 0.995 6223 R CB -0.897 29.464 30.300 0.103 0.000 0.870 6223 R HN 0.673 nan 8.270 nan 0.000 0.463 6224 T N -2.852 111.717 114.554 0.025 0.000 3.118 6224 T HA -0.016 4.334 4.350 0.000 0.000 0.260 6224 T C 1.478 176.192 174.700 0.023 0.000 1.139 6224 T CA 0.747 62.862 62.100 0.024 0.000 1.085 6224 T CB 0.194 69.068 68.868 0.010 0.000 0.934 6224 T HN 0.275 nan 8.240 nan 0.000 0.518 6225 Q N 0.210 120.024 119.800 0.022 0.000 2.532 6225 Q HA 0.269 4.609 4.340 0.000 0.000 0.247 6225 Q C 0.557 176.574 176.000 0.029 0.000 0.872 6225 Q CA -0.050 55.766 55.803 0.022 0.000 0.963 6225 Q CB 0.652 29.399 28.738 0.015 0.000 1.159 6225 Q HN 0.769 nan 8.270 nan 0.000 0.598 6226 Q N -1.006 118.814 119.800 0.034 0.000 2.575 6226 Q HA 0.337 4.677 4.340 0.000 0.000 0.290 6226 Q C -0.535 175.492 176.000 0.046 0.000 0.963 6226 Q CA -0.568 55.261 55.803 0.043 0.000 0.783 6226 Q CB 1.041 29.804 28.738 0.041 0.000 1.467 6226 Q HN -0.062 nan 8.270 nan 0.000 0.402 6227 E N 0.247 120.483 120.200 0.059 0.000 2.190 6227 E HA 0.127 4.477 4.350 0.000 0.000 0.191 6227 E C 0.252 176.888 176.600 0.059 0.000 0.978 6227 E CA 0.651 57.079 56.400 0.048 0.000 0.839 6227 E CB 0.522 30.273 29.700 0.086 0.000 0.787 6227 E HN 0.391 nan 8.360 nan 0.000 0.473 6228 I N 2.072 122.699 120.570 0.095 0.000 2.582 6228 I HA 0.270 4.440 4.170 0.000 0.000 0.292 6228 I C -2.386 173.781 176.117 0.085 0.000 1.066 6228 I CA -2.954 58.421 61.300 0.124 0.000 1.053 6228 I CB 1.530 39.626 38.000 0.161 0.000 1.241 6228 I HN -0.180 nan 8.210 nan 0.000 0.421 6229 P HA 0.178 nan 4.420 nan 0.000 0.272 6229 P C -0.624 176.704 177.300 0.047 0.000 1.240 6229 P CA -0.381 62.751 63.100 0.052 0.000 0.791 6229 P CB 0.879 32.607 31.700 0.047 0.000 0.978 6240 H N 2.329 121.391 119.070 -0.013 0.000 2.428 6240 H HA 0.490 5.046 4.556 0.000 0.000 0.296 6240 H C 2.437 177.757 175.328 -0.014 0.000 1.062 6240 H CA 1.830 57.870 56.048 -0.013 0.000 1.350 6240 H CB -0.178 29.578 29.762 -0.010 0.000 1.403 6240 H HN 0.638 nan 8.280 nan 0.000 0.533 6241 A N 0.158 123.042 122.820 0.108 0.000 1.929 6241 A HA -0.077 4.243 4.320 0.000 0.000 0.216 6241 A C 2.473 180.069 177.584 0.019 0.000 1.176 6241 A CA 1.297 53.365 52.037 0.053 0.000 0.628 6241 A CB -0.625 18.401 19.000 0.043 0.000 0.816 6241 A HN 0.238 nan 8.150 nan 0.000 0.444 6242 V N 0.325 120.244 119.914 0.008 0.000 2.307 6242 V HA -0.266 3.854 4.120 0.000 0.000 0.245 6242 V C 2.406 178.481 176.094 -0.031 0.000 1.045 6242 V CA 2.316 64.607 62.300 -0.016 0.000 1.024 6242 V CB -0.693 31.113 31.823 -0.028 0.000 0.651 6242 V HN 0.548 nan 8.190 nan 0.000 0.449 6243 K N -0.064 120.306 120.400 -0.049 0.000 2.063 6243 K HA -0.124 4.196 4.320 0.000 0.000 0.208 6243 K C 2.058 178.632 176.600 -0.043 0.000 1.048 6243 K CA 1.643 57.890 56.287 -0.066 0.000 0.928 6243 K CB -0.335 32.094 32.500 -0.119 0.000 0.713 6243 K HN 0.380 nan 8.250 nan 0.000 0.442 6244 I N 0.477 121.031 120.570 -0.026 0.000 2.179 6244 I HA -0.259 3.911 4.170 0.000 0.000 0.242 6244 I C 2.373 178.480 176.117 -0.016 0.000 1.088 6244 I CA 0.920 62.210 61.300 -0.016 0.000 1.357 6244 I CB -0.238 37.763 38.000 0.002 0.000 1.051 6244 I HN 0.003 nan 8.210 nan 0.000 0.409 6245 V N 0.375 120.282 119.914 -0.012 0.000 2.490 6245 V HA -0.192 3.928 4.120 0.000 0.000 0.250 6245 V C 2.288 178.373 176.094 -0.016 0.000 1.061 6245 V CA 1.567 63.861 62.300 -0.010 0.000 1.064 6245 V CB 0.166 31.987 31.823 -0.002 0.000 0.670 6245 V HN 0.211 nan 8.190 nan 0.000 0.461 6246 V N -0.473 119.428 119.914 -0.022 0.000 2.323 6246 V HA -0.117 4.003 4.120 0.000 0.000 0.244 6246 V C 2.648 178.727 176.094 -0.025 0.000 1.041 6246 V CA 1.914 64.199 62.300 -0.024 0.000 1.025 6246 V CB -0.629 31.176 31.823 -0.031 0.000 0.656 6246 V HN 0.501 nan 8.190 nan 0.000 0.451 6247 E N 0.515 120.699 120.200 -0.027 0.000 2.058 6247 E HA -0.222 4.128 4.350 0.000 0.000 0.194 6247 E C 2.343 178.927 176.600 -0.026 0.000 0.997 6247 E CA 1.682 58.066 56.400 -0.027 0.000 0.801 6247 E CB -0.462 29.221 29.700 -0.029 0.000 0.746 6247 E HN 0.526 nan 8.360 nan 0.000 0.450 6248 A N 1.094 123.898 122.820 -0.026 0.000 1.908 6248 A HA -0.137 4.183 4.320 0.000 0.000 0.218 6248 A C 2.417 179.985 177.584 -0.027 0.000 1.181 6248 A CA 2.308 54.327 52.037 -0.029 0.000 0.627 6248 A CB -0.647 18.336 19.000 -0.028 0.000 0.818 6248 A HN 0.296 nan 8.150 nan 0.000 0.445 6249 A N -0.447 122.359 122.820 -0.023 0.000 1.933 6249 A HA -0.181 4.139 4.320 0.000 0.000 0.218 6249 A C 2.241 179.811 177.584 -0.024 0.000 1.175 6249 A CA 1.689 53.712 52.037 -0.024 0.000 0.628 6249 A CB -0.527 18.460 19.000 -0.022 0.000 0.814 6249 A HN 0.558 nan 8.150 nan 0.000 0.444 6250 R N -0.248 120.239 120.500 -0.022 0.000 2.105 6250 R HA -0.127 4.213 4.340 0.000 0.000 0.239 6250 R C 2.088 178.376 176.300 -0.019 0.000 1.135 6250 R CA 1.644 57.732 56.100 -0.019 0.000 0.967 6250 R CB -0.203 30.085 30.300 -0.019 0.000 0.861 6250 R HN 0.530 nan 8.270 nan 0.000 0.442 6251 R N -0.189 120.298 120.500 -0.022 0.000 2.276 6251 R HA 0.028 4.368 4.340 0.000 0.000 0.203 6251 R C 1.464 177.752 176.300 -0.020 0.000 1.017 6251 R CA 0.541 56.629 56.100 -0.021 0.000 1.010 6251 R CB 0.157 30.441 30.300 -0.027 0.000 0.900 6251 R HN 0.261 nan 8.270 nan 0.000 0.469 6252 L N 0.602 121.811 121.223 -0.022 0.000 2.728 6252 L HA 0.226 4.566 4.340 0.000 0.000 0.238 6252 L C 0.335 177.193 176.870 -0.021 0.000 1.143 6252 L CA -0.234 54.593 54.840 -0.021 0.000 0.937 6252 L CB 0.200 42.244 42.059 -0.024 0.000 1.225 6252 L HN 0.034 nan 8.230 nan 0.000 0.507 6253 L N 0.000 121.211 121.223 -0.020 0.000 2.949 6253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 6253 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 6253 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502