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 2hwu_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 0.000 174.595 174.600 -0.008 0.000 1.055 6004 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 6004 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 6005 D N 1.403 121.804 120.400 0.001 0.000 2.346 6005 D HA 0.157 4.797 4.640 -0.000 0.000 0.206 6005 D C 0.877 177.193 176.300 0.028 0.000 1.001 6005 D CA 1.129 55.137 54.000 0.014 0.000 0.871 6005 D CB 0.656 41.465 40.800 0.015 0.000 0.943 6005 D HN 0.532 nan 8.370 nan 0.000 0.518 6006 V N -1.896 118.032 119.914 0.023 0.000 2.769 6006 V HA 0.380 4.500 4.120 -0.000 0.000 0.312 6006 V C 0.851 176.970 176.094 0.042 0.000 1.061 6006 V CA -1.044 61.286 62.300 0.050 0.000 0.931 6006 V CB 1.808 33.657 31.823 0.042 0.000 1.010 6006 V HN -0.110 nan 8.190 nan 0.000 0.433 6007 F N 1.293 121.185 119.950 -0.096 0.000 2.146 6007 F HA -0.012 4.515 4.527 0.000 0.000 0.298 6007 F C 2.011 177.620 175.800 -0.318 0.000 1.096 6007 F CA 2.320 60.180 58.000 -0.233 0.000 1.275 6007 F CB 0.195 39.000 39.000 -0.325 0.000 1.008 6007 F HN 0.823 nan 8.300 nan 0.000 0.480 6008 H N -0.929 118.098 119.070 -0.072 0.000 2.439 6008 H HA 0.170 4.726 4.556 -0.000 0.000 0.299 6008 H C 2.045 177.333 175.328 -0.067 0.000 1.033 6008 H CA 1.099 57.088 56.048 -0.099 0.000 1.348 6008 H CB -0.152 29.617 29.762 0.012 0.000 1.449 6008 H HN 0.143 nan 8.280 nan 0.000 0.544 6009 L N -0.276 120.955 121.223 0.013 0.000 2.217 6009 L HA 0.107 4.447 4.340 -0.000 0.000 0.211 6009 L C 0.974 177.907 176.870 0.105 0.000 1.107 6009 L CA 0.675 55.554 54.840 0.066 0.000 0.783 6009 L CB -0.408 41.648 42.059 -0.004 0.000 0.919 6009 L HN 0.520 nan 8.230 nan 0.000 0.442 6010 G N 1.464 110.216 108.800 -0.081 0.000 2.353 6010 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.294 6010 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.294 6010 G C -0.401 174.513 174.900 0.023 0.000 1.077 6010 G CA 0.006 45.028 45.100 -0.129 0.000 1.098 6010 G HN 0.228 nan 8.290 nan 0.000 0.511 6011 L N -0.371 120.857 121.223 0.008 0.000 2.424 6011 L HA 0.795 5.135 4.340 -0.000 0.000 0.258 6011 L C 0.538 177.413 176.870 0.008 0.000 0.995 6011 L CA -0.774 54.078 54.840 0.020 0.000 0.821 6011 L CB 2.576 44.655 42.059 0.033 0.000 1.383 6011 L HN 0.372 nan 8.230 nan 0.000 0.410 6012 T N -3.216 111.342 114.554 0.007 0.000 2.940 6012 T HA 0.373 4.723 4.350 -0.000 0.000 0.288 6012 T C 0.619 175.322 174.700 0.006 0.000 1.033 6012 T CA -0.960 61.143 62.100 0.005 0.000 1.033 6012 T CB 2.189 71.057 68.868 0.001 0.000 1.079 6012 T HN 0.502 nan 8.240 nan 0.000 0.496 6013 K N 0.555 120.959 120.400 0.006 0.000 2.160 6013 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 6013 K C 1.962 178.562 176.600 0.001 0.000 1.047 6013 K CA 1.539 57.829 56.287 0.005 0.000 0.930 6013 K CB -0.259 32.245 32.500 0.006 0.000 0.720 6013 K HN 0.574 nan 8.250 nan 0.000 0.450 6014 N N 1.243 119.942 118.700 -0.001 0.000 2.244 6014 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 6014 N C 1.080 176.586 175.510 -0.006 0.000 1.016 6014 N CA 1.129 54.177 53.050 -0.004 0.000 0.866 6014 N CB 0.069 38.554 38.487 -0.005 0.000 0.980 6014 N HN 0.100 nan 8.380 nan 0.000 0.430 6015 D N -0.275 120.122 120.400 -0.005 0.000 2.263 6015 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 6015 D C 1.428 177.725 176.300 -0.004 0.000 0.971 6015 D CA 0.637 54.633 54.000 -0.008 0.000 0.867 6015 D CB 0.060 40.857 40.800 -0.005 0.000 0.929 6015 D HN 0.297 nan 8.370 nan 0.000 0.492 6016 L N 0.438 121.660 121.223 -0.002 0.000 2.270 6016 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 6016 L C 0.877 177.744 176.870 -0.006 0.000 1.104 6016 L CA 0.608 55.446 54.840 -0.004 0.000 0.804 6016 L CB -0.260 41.794 42.059 -0.008 0.000 0.937 6016 L HN -0.040 nan 8.230 nan 0.000 0.450 6017 Q N -0.340 119.456 119.800 -0.006 0.000 2.475 6017 Q HA -0.260 4.080 4.340 -0.000 0.000 0.280 6017 Q C 1.100 177.096 176.000 -0.008 0.000 1.234 6017 Q CA 0.759 56.558 55.803 -0.006 0.000 0.873 6017 Q CB -2.466 26.269 28.738 -0.004 0.000 1.256 6017 Q HN 0.660 nan 8.270 nan 0.000 0.475 6018 G N -1.487 107.307 108.800 -0.010 0.000 2.143 6018 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.249 6018 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.249 6018 G C 0.307 175.195 174.900 -0.020 0.000 0.981 6018 G CA 0.440 45.532 45.100 -0.013 0.000 0.665 6018 G HN 1.211 nan 8.290 nan 0.000 0.528 6019 A N -0.369 122.437 122.820 -0.024 0.000 2.492 6019 A HA 0.609 4.929 4.320 -0.000 0.000 0.254 6019 A C 1.043 178.592 177.584 -0.059 0.000 1.091 6019 A CA 1.104 53.118 52.037 -0.038 0.000 0.768 6019 A CB 0.274 19.254 19.000 -0.034 0.000 1.028 6019 A HN 0.554 nan 8.150 nan 0.000 0.498 6020 Q N 1.294 121.050 119.800 -0.074 0.000 2.214 6020 Q HA 0.304 4.644 4.340 -0.000 0.000 0.229 6020 Q C -0.480 175.420 176.000 -0.166 0.000 0.835 6020 Q CA 0.015 55.758 55.803 -0.100 0.000 0.953 6020 Q CB 0.709 29.409 28.738 -0.064 0.000 1.131 6020 Q HN 0.743 nan 8.270 nan 0.000 0.501 6021 L N 0.767 121.895 121.223 -0.158 0.000 2.341 6021 L HA 0.744 5.084 4.340 -0.000 0.000 0.278 6021 L C -1.559 175.183 176.870 -0.212 0.000 1.005 6021 L CA -0.648 54.073 54.840 -0.198 0.000 0.818 6021 L CB 1.625 43.616 42.059 -0.114 0.000 1.259 6021 L HN -0.104 nan 8.230 nan 0.000 0.418 6022 A N 6.144 128.776 122.820 -0.314 0.000 2.332 6022 A HA 0.598 4.918 4.320 -0.000 0.000 0.300 6022 A C -0.737 176.803 177.584 -0.073 0.000 1.153 6022 A CA -0.488 51.431 52.037 -0.197 0.000 0.764 6022 A CB 0.661 19.508 19.000 -0.256 0.000 1.174 6022 A HN 0.680 nan 8.150 nan 0.000 0.467 6023 I N 2.944 123.507 120.570 -0.012 0.000 2.452 6023 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 6023 I C 0.028 176.186 176.117 0.069 0.000 1.079 6023 I CA -0.090 61.227 61.300 0.028 0.000 1.387 6023 I CB 1.303 39.310 38.000 0.011 0.000 1.404 6023 I HN 0.471 nan 8.210 nan 0.000 0.522 6024 V N 6.287 126.263 119.914 0.104 0.000 2.289 6024 V HA 0.498 4.618 4.120 -0.000 0.000 0.272 6024 V C -2.462 173.686 176.094 0.090 0.000 1.026 6024 V CA -2.012 60.365 62.300 0.129 0.000 0.807 6024 V CB 0.477 32.423 31.823 0.205 0.000 1.044 6024 V HN 0.454 nan 8.190 nan 0.000 0.443 6025 P HA 0.299 nan 4.420 nan 0.000 0.276 6025 P C 0.947 178.281 177.300 0.057 0.000 1.252 6025 P CA 0.301 63.430 63.100 0.048 0.000 0.802 6025 P CB 1.729 33.444 31.700 0.026 0.000 1.035 6026 G N 0.041 108.864 108.800 0.038 0.000 2.404 6026 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.213 6026 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.213 6026 G C 0.241 175.152 174.900 0.019 0.000 1.189 6026 G CA 0.451 45.571 45.100 0.032 0.000 0.796 6026 G HN 0.516 nan 8.290 nan 0.000 0.532 6027 D N 1.009 121.411 120.400 0.005 0.000 2.339 6027 D HA 0.203 4.843 4.640 -0.000 0.000 0.256 6027 D C -0.975 175.325 176.300 0.000 0.000 1.214 6027 D CA -2.370 51.624 54.000 -0.010 0.000 0.877 6027 D CB 1.881 42.670 40.800 -0.019 0.000 1.111 6027 D HN 0.026 nan 8.370 nan 0.000 0.478 6028 P HA -0.148 nan 4.420 nan 0.000 0.219 6028 P C 0.412 177.720 177.300 0.014 0.000 1.146 6028 P CA 1.024 64.138 63.100 0.023 0.000 0.808 6028 P CB 0.288 31.992 31.700 0.007 0.000 0.779 6029 E N -0.702 119.493 120.200 -0.009 0.000 2.511 6029 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 6029 E C 1.978 178.551 176.600 -0.046 0.000 1.066 6029 E CA 0.084 56.472 56.400 -0.019 0.000 0.871 6029 E CB -0.180 29.507 29.700 -0.021 0.000 0.863 6029 E HN 0.210 nan 8.360 nan 0.000 0.520 6030 R N 0.363 120.833 120.500 -0.050 0.000 2.437 6030 R HA 0.090 4.430 4.340 -0.000 0.000 0.257 6030 R C 1.573 177.806 176.300 -0.112 0.000 0.927 6030 R CA 0.065 56.122 56.100 -0.072 0.000 1.078 6030 R CB 0.604 30.878 30.300 -0.044 0.000 1.161 6030 R HN 0.022 nan 8.270 nan 0.000 0.529 6031 V N 0.965 120.809 119.914 -0.116 0.000 2.270 6031 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 6031 V C 2.217 178.043 176.094 -0.447 0.000 1.043 6031 V CA 2.148 64.348 62.300 -0.166 0.000 1.014 6031 V CB -0.397 31.409 31.823 -0.028 0.000 0.645 6031 V HN 0.405 nan 8.190 nan 0.000 0.447 6032 E N 0.446 120.244 120.200 -0.669 0.000 2.085 6032 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 6032 E C 2.211 178.428 176.600 -0.637 0.000 0.994 6032 E CA 1.651 57.382 56.400 -1.114 0.000 0.801 6032 E CB -0.081 29.132 29.700 -0.811 0.000 0.743 6032 E HN 0.603 nan 8.360 nan 0.000 0.453 6033 K N 0.078 120.263 120.400 -0.360 0.000 2.057 6033 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 6033 K C 2.205 178.689 176.600 -0.194 0.000 1.049 6033 K CA 1.587 57.739 56.287 -0.226 0.000 0.931 6033 K CB -0.152 32.261 32.500 -0.145 0.000 0.714 6033 K HN 0.244 nan 8.250 nan 0.000 0.440 6034 I N 1.012 121.468 120.570 -0.190 0.000 2.202 6034 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 6034 I C 2.532 178.564 176.117 -0.142 0.000 1.091 6034 I CA 1.092 62.312 61.300 -0.134 0.000 1.368 6034 I CB -0.392 37.551 38.000 -0.095 0.000 1.058 6034 I HN 0.129 nan 8.210 nan 0.000 0.410 6035 A N 0.728 123.419 122.820 -0.216 0.000 1.978 6035 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 6035 A C 2.463 179.966 177.584 -0.135 0.000 1.170 6035 A CA 1.796 53.738 52.037 -0.159 0.000 0.636 6035 A CB -0.786 18.086 19.000 -0.213 0.000 0.810 6035 A HN 0.445 nan 8.150 nan 0.000 0.448 6036 A N -0.515 122.177 122.820 -0.214 0.000 2.067 6036 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 6036 A C 1.801 179.338 177.584 -0.079 0.000 1.158 6036 A CA 1.019 52.974 52.037 -0.136 0.000 0.661 6036 A CB -0.464 18.435 19.000 -0.167 0.000 0.801 6036 A HN 0.475 nan 8.150 nan 0.000 0.452 6037 L N -1.121 120.053 121.223 -0.081 0.000 2.599 6037 L HA 0.188 4.528 4.340 -0.000 0.000 0.230 6037 L C 0.764 177.611 176.870 -0.038 0.000 1.141 6037 L CA -0.022 54.784 54.840 -0.057 0.000 0.877 6037 L CB -0.379 41.643 42.059 -0.062 0.000 1.009 6037 L HN 0.405 nan 8.230 nan 0.000 0.447 6038 M N -1.576 118.007 119.600 -0.029 0.000 2.819 6038 M HA 0.338 4.817 4.480 -0.000 0.000 0.300 6038 M C -0.811 175.493 176.300 0.007 0.000 1.237 6038 M CA -0.860 54.434 55.300 -0.009 0.000 0.813 6038 M CB 1.895 34.494 32.600 -0.002 0.000 1.755 6038 M HN -0.176 nan 8.290 nan 0.000 0.484 6039 D N 1.269 121.677 120.400 0.014 0.000 2.302 6039 D HA 0.164 4.804 4.640 -0.000 0.000 0.248 6039 D C -0.455 175.870 176.300 0.041 0.000 1.094 6039 D CA 0.212 54.225 54.000 0.022 0.000 0.897 6039 D CB 0.797 41.606 40.800 0.014 0.000 1.200 6039 D HN 0.437 nan 8.370 nan 0.000 0.429 6040 K N -0.059 120.368 120.400 0.047 0.000 3.257 6040 K HA -0.132 4.188 4.320 -0.000 0.000 0.270 6040 K C -2.354 174.307 176.600 0.101 0.000 0.984 6040 K CA 0.105 56.428 56.287 0.059 0.000 0.739 6040 K CB -1.084 31.439 32.500 0.039 0.000 1.351 6040 K HN 0.361 nan 8.250 nan 0.000 0.463 6041 P HA 0.110 nan 4.420 nan 0.000 0.276 6041 P C -0.467 177.044 177.300 0.353 0.000 1.253 6041 P CA -0.068 63.216 63.100 0.307 0.000 0.766 6041 P CB 1.228 33.110 31.700 0.303 0.000 0.845 6042 V N 4.529 124.578 119.914 0.224 0.000 2.483 6042 V HA 0.260 4.380 4.120 -0.000 0.000 0.297 6042 V C 0.547 176.312 176.094 -0.547 0.000 1.027 6042 V CA -0.925 61.296 62.300 -0.131 0.000 0.855 6042 V CB 1.849 33.622 31.823 -0.085 0.000 0.995 6042 V HN 0.484 nan 8.190 nan 0.000 0.424 6043 K N 3.744 123.362 120.400 -1.304 0.000 2.416 6043 K HA 0.313 4.633 4.320 -0.000 0.000 0.283 6043 K C 0.202 176.396 176.600 -0.676 0.000 1.037 6043 K CA -0.093 55.216 56.287 -1.630 0.000 0.995 6043 K CB 0.700 32.297 32.500 -1.506 0.000 0.938 6043 K HN 0.631 nan 8.250 nan 0.000 0.475 6044 L N 2.900 123.844 121.223 -0.465 0.000 2.276 6044 L HA 0.307 4.647 4.340 -0.000 0.000 0.194 6044 L C 0.637 177.418 176.870 -0.147 0.000 1.099 6044 L CA 0.293 55.009 54.840 -0.207 0.000 0.800 6044 L CB 0.001 42.007 42.059 -0.088 0.000 0.994 6044 L HN 0.723 nan 8.230 nan 0.000 0.475 6045 A N -1.166 121.592 122.820 -0.104 0.000 2.602 6045 A HA 0.673 4.993 4.320 -0.000 0.000 0.290 6045 A C -1.177 176.359 177.584 -0.080 0.000 1.114 6045 A CA -0.295 51.705 52.037 -0.063 0.000 0.683 6045 A CB 1.815 20.880 19.000 0.108 0.000 1.281 6045 A HN -0.083 nan 8.150 nan 0.000 0.416 6046 S N 0.522 116.060 115.700 -0.270 0.000 2.737 6046 S HA 0.611 5.081 4.470 -0.000 0.000 0.269 6046 S C -1.760 172.546 174.600 -0.490 0.000 1.150 6046 S CA -0.495 57.577 58.200 -0.213 0.000 1.077 6046 S CB 0.247 63.371 63.200 -0.127 0.000 1.075 6046 S HN 0.709 nan 8.310 nan 0.000 0.476 6047 H N 3.671 122.799 119.070 0.097 0.000 2.782 6047 H HA 0.518 5.074 4.556 -0.000 0.000 0.347 6047 H C 0.583 175.944 175.328 0.056 0.000 1.038 6047 H CA -0.495 55.603 56.048 0.084 0.000 1.255 6047 H CB 1.558 31.387 29.762 0.111 0.000 1.623 6047 H HN 0.771 nan 8.280 nan 0.000 0.525 6048 R N 0.647 121.191 120.500 0.072 0.000 3.869 6048 R HA -0.240 4.100 4.340 -0.000 0.000 0.424 6048 R C 1.095 177.262 176.300 -0.222 0.000 0.241 6048 R CA 2.009 58.057 56.100 -0.087 0.000 1.351 6048 R CB -0.828 29.402 30.300 -0.117 0.000 0.979 6048 R HN 0.737 nan 8.270 nan 0.000 0.572 6049 E N 2.133 122.008 120.200 -0.542 0.000 2.463 6049 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 6049 E C -0.169 176.175 176.600 -0.426 0.000 1.041 6049 E CA 0.436 56.542 56.400 -0.491 0.000 0.879 6049 E CB 0.214 29.618 29.700 -0.494 0.000 0.997 6049 E HN 0.385 nan 8.360 nan 0.000 0.478 6050 F N 1.742 121.736 119.950 0.074 0.000 2.313 6050 F HA 0.332 4.859 4.527 -0.000 0.000 0.369 6050 F C 0.113 175.969 175.800 0.093 0.000 1.109 6050 F CA -0.776 57.279 58.000 0.091 0.000 1.132 6050 F CB 1.453 40.522 39.000 0.116 0.000 1.291 6050 F HN -0.318 nan 8.300 nan 0.000 0.496 6051 T N 1.925 116.621 114.554 0.236 0.000 2.779 6051 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 6051 T C -0.267 174.593 174.700 0.266 0.000 0.987 6051 T CA -0.829 61.396 62.100 0.208 0.000 0.966 6051 T CB 1.197 70.178 68.868 0.188 0.000 0.933 6051 T HN 0.547 nan 8.240 nan 0.000 0.442 6052 S N 2.332 118.175 115.700 0.238 0.000 2.482 6052 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 6052 S C -1.533 173.207 174.600 0.234 0.000 1.091 6052 S CA -0.969 57.372 58.200 0.235 0.000 1.057 6052 S CB 1.051 64.340 63.200 0.148 0.000 1.031 6052 S HN 0.659 nan 8.310 nan 0.000 0.485 6053 W N 1.621 122.937 121.300 0.027 0.000 2.785 6053 W HA 0.576 5.236 4.660 -0.000 0.000 0.333 6053 W C 0.233 176.757 176.519 0.008 0.000 1.062 6053 W CA -0.836 56.518 57.345 0.014 0.000 1.233 6053 W CB 1.762 31.228 29.460 0.009 0.000 1.413 6053 W HN 0.750 nan 8.180 nan 0.000 0.489 6054 R N 2.137 122.741 120.500 0.173 0.000 2.404 6054 R HA 0.839 5.179 4.340 -0.000 0.000 0.291 6054 R C -0.537 175.855 176.300 0.154 0.000 1.025 6054 R CA -0.165 56.005 56.100 0.117 0.000 0.991 6054 R CB 0.952 31.279 30.300 0.045 0.000 1.053 6054 R HN 0.628 nan 8.270 nan 0.000 0.479 6055 A N 2.794 125.677 122.820 0.105 0.000 2.532 6055 A HA 0.442 4.762 4.320 -0.000 0.000 0.290 6055 A C -1.467 176.144 177.584 0.046 0.000 1.143 6055 A CA -0.734 51.356 52.037 0.088 0.000 0.728 6055 A CB 1.808 20.855 19.000 0.079 0.000 1.317 6055 A HN 0.792 nan 8.150 nan 0.000 0.414 6056 E N -0.428 119.793 120.200 0.035 0.000 2.238 6056 E HA 0.640 4.990 4.350 -0.000 0.000 0.267 6056 E C -2.171 174.435 176.600 0.010 0.000 0.887 6056 E CA -0.586 55.825 56.400 0.018 0.000 0.769 6056 E CB 1.790 31.500 29.700 0.017 0.000 1.187 6056 E HN 0.499 nan 8.360 nan 0.000 0.416 6057 L N 4.098 125.322 121.223 0.002 0.000 2.580 6057 L HA 0.296 4.636 4.340 -0.000 0.000 0.266 6057 L C -1.316 175.550 176.870 -0.006 0.000 0.955 6057 L CA -0.106 54.732 54.840 -0.004 0.000 0.886 6057 L CB 1.665 43.719 42.059 -0.008 0.000 1.263 6057 L HN 0.672 nan 8.230 nan 0.000 0.406 6058 D N 4.225 124.621 120.400 -0.006 0.000 2.737 6058 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 6058 D C 1.037 177.335 176.300 -0.005 0.000 1.155 6058 D CA 1.773 55.769 54.000 -0.006 0.000 0.667 6058 D CB -0.928 39.867 40.800 -0.009 0.000 1.060 6058 D HN 1.284 nan 8.370 nan 0.000 0.427 6059 G N -0.274 108.524 108.800 -0.003 0.000 2.246 6059 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.273 6059 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.273 6059 G C 0.080 174.979 174.900 -0.003 0.000 1.055 6059 G CA 0.707 45.806 45.100 -0.002 0.000 0.851 6059 G HN 0.444 nan 8.290 nan 0.000 0.500 6060 K N -0.411 119.987 120.400 -0.004 0.000 2.468 6060 K HA 0.671 4.991 4.320 -0.000 0.000 0.252 6060 K C 0.233 176.830 176.600 -0.005 0.000 0.932 6060 K CA -0.284 55.999 56.287 -0.006 0.000 0.794 6060 K CB 2.159 34.652 32.500 -0.011 0.000 1.241 6060 K HN 0.579 nan 8.250 nan 0.000 0.428 6061 A N 2.279 125.095 122.820 -0.006 0.000 2.488 6061 A HA 0.385 4.705 4.320 -0.000 0.000 0.249 6061 A C -0.318 177.260 177.584 -0.010 0.000 1.083 6061 A CA -0.082 51.953 52.037 -0.003 0.000 0.768 6061 A CB 0.143 19.141 19.000 -0.004 0.000 1.017 6061 A HN 0.353 nan 8.150 nan 0.000 0.496 6062 V N 4.723 124.636 119.914 -0.001 0.000 2.623 6062 V HA 0.291 4.411 4.120 -0.000 0.000 0.304 6062 V C -0.446 175.655 176.094 0.011 0.000 1.054 6062 V CA -0.676 61.618 62.300 -0.010 0.000 0.882 6062 V CB 1.700 33.517 31.823 -0.011 0.000 1.002 6062 V HN 0.741 nan 8.190 nan 0.000 0.424 6063 I N 4.626 125.193 120.570 -0.005 0.000 2.428 6063 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 6063 I C -0.039 176.105 176.117 0.045 0.000 1.019 6063 I CA -0.334 60.983 61.300 0.028 0.000 1.351 6063 I CB 1.679 39.683 38.000 0.006 0.000 1.412 6063 I HN 0.283 nan 8.210 nan 0.000 0.513 6064 V N 5.912 125.887 119.914 0.101 0.000 2.350 6064 V HA 0.345 4.465 4.120 -0.000 0.000 0.285 6064 V C -0.227 175.957 176.094 0.151 0.000 1.014 6064 V CA -0.468 61.891 62.300 0.100 0.000 0.831 6064 V CB 1.779 33.644 31.823 0.069 0.000 1.000 6064 V HN 0.906 nan 8.190 nan 0.000 0.433 6065 C N 5.396 124.779 119.300 0.138 0.000 2.481 6065 C HA 0.738 5.198 4.460 -0.000 0.000 0.324 6065 C C 0.622 175.719 174.990 0.178 0.000 1.170 6065 C CA -0.346 58.776 59.018 0.175 0.000 1.361 6065 C CB 1.097 28.936 27.740 0.166 0.000 1.977 6065 C HN 1.024 nan 8.230 nan 0.000 0.459 6066 S N 3.410 119.227 115.700 0.194 0.000 2.592 6066 S HA 0.371 4.841 4.470 -0.000 0.000 0.271 6066 S C 0.964 175.724 174.600 0.267 0.000 1.326 6066 S CA 0.450 58.756 58.200 0.176 0.000 1.024 6066 S CB 1.383 64.657 63.200 0.124 0.000 0.921 6066 S HN 1.085 nan 8.310 nan 0.000 0.527 6067 T N -1.001 113.675 114.554 0.204 0.000 3.034 6067 T HA 0.518 4.868 4.350 -0.000 0.000 0.248 6067 T C 1.202 176.020 174.700 0.197 0.000 1.040 6067 T CA 0.461 62.710 62.100 0.249 0.000 1.107 6067 T CB -0.999 67.951 68.868 0.137 0.000 0.932 6067 T HN 2.091 nan 8.240 nan 0.000 0.474 6068 G N 1.338 110.175 108.800 0.062 0.000 2.756 6068 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.678 6068 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.678 6068 G C -0.642 174.257 174.900 -0.001 0.000 1.349 6068 G CA -0.593 44.491 45.100 -0.028 0.000 0.847 6068 G HN 0.662 nan 8.290 nan 0.000 0.548 6069 I N 2.225 122.779 120.570 -0.027 0.000 2.452 6069 I HA 0.486 4.656 4.170 -0.000 0.000 0.287 6069 I C 1.174 177.291 176.117 0.001 0.000 1.079 6069 I CA 1.475 62.767 61.300 -0.014 0.000 1.387 6069 I CB 0.349 38.327 38.000 -0.037 0.000 1.404 6069 I HN 1.941 nan 8.210 nan 0.000 0.522 6070 G N 3.961 112.770 108.800 0.015 0.000 2.587 6070 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.686 6070 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.686 6070 G C 0.488 175.401 174.900 0.022 0.000 1.236 6070 G CA -0.515 44.596 45.100 0.018 0.000 0.820 6070 G HN 0.865 nan 8.290 nan 0.000 0.645 6071 G N 0.462 109.273 108.800 0.019 0.000 2.476 6071 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 6071 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 6071 G C 0.152 175.064 174.900 0.020 0.000 1.164 6071 G CA 2.260 47.371 45.100 0.018 0.000 0.768 6071 G HN 0.696 nan 8.290 nan 0.000 0.560 6072 P HA -0.108 nan 4.420 nan 0.000 0.214 6072 P C 2.299 179.622 177.300 0.039 0.000 1.163 6072 P CA 1.989 65.090 63.100 0.001 0.000 0.883 6072 P CB -0.208 31.485 31.700 -0.012 0.000 0.788 6073 S N -1.717 114.024 115.700 0.068 0.000 2.400 6073 S HA -0.148 4.321 4.470 -0.000 0.000 0.232 6073 S C 1.825 176.559 174.600 0.223 0.000 1.025 6073 S CA 2.058 60.361 58.200 0.172 0.000 0.993 6073 S CB -1.302 61.958 63.200 0.100 0.000 0.808 6073 S HN 0.164 nan 8.310 nan 0.000 0.478 6074 T N 1.490 116.107 114.554 0.106 0.000 2.737 6074 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 6074 T C 2.198 176.879 174.700 -0.031 0.000 1.038 6074 T CA 1.568 63.696 62.100 0.047 0.000 1.144 6074 T CB -0.623 68.247 68.868 0.004 0.000 0.866 6074 T HN 0.707 nan 8.240 nan 0.000 0.434 6075 S N 1.201 116.893 115.700 -0.013 0.000 2.442 6075 S HA -0.014 4.456 4.470 -0.000 0.000 0.236 6075 S C 2.016 176.608 174.600 -0.013 0.000 1.007 6075 S CA 0.637 58.837 58.200 0.000 0.000 0.965 6075 S CB -0.760 62.537 63.200 0.163 0.000 0.773 6075 S HN 0.477 nan 8.310 nan 0.000 0.504 6076 I N 1.764 122.299 120.570 -0.057 0.000 2.235 6076 I HA -0.040 4.130 4.170 -0.000 0.000 0.241 6076 I C 3.077 179.042 176.117 -0.254 0.000 1.085 6076 I CA 0.988 62.189 61.300 -0.165 0.000 1.378 6076 I CB -0.670 37.145 38.000 -0.308 0.000 1.076 6076 I HN 0.413 nan 8.210 nan 0.000 0.415 6077 A N 0.494 123.126 122.820 -0.314 0.000 1.865 6077 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 6077 A C 2.412 179.933 177.584 -0.104 0.000 1.191 6077 A CA 1.945 53.807 52.037 -0.291 0.000 0.623 6077 A CB -1.060 17.875 19.000 -0.109 0.000 0.826 6077 A HN 0.229 nan 8.150 nan 0.000 0.444 6078 V N 0.247 120.063 119.914 -0.163 0.000 2.255 6078 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 6078 V C 2.648 178.653 176.094 -0.148 0.000 1.051 6078 V CA 2.574 64.659 62.300 -0.359 0.000 1.018 6078 V CB -0.886 30.508 31.823 -0.714 0.000 0.641 6078 V HN 0.783 nan 8.190 nan 0.000 0.445 6079 E N 0.846 120.978 120.200 -0.113 0.000 2.070 6079 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 6079 E C 2.058 178.682 176.600 0.040 0.000 1.004 6079 E CA 2.210 58.603 56.400 -0.012 0.000 0.805 6079 E CB -0.347 29.374 29.700 0.035 0.000 0.744 6079 E HN 0.688 nan 8.360 nan 0.000 0.451 6080 E N -0.408 119.804 120.200 0.021 0.000 2.208 6080 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 6080 E C 2.198 178.836 176.600 0.063 0.000 0.988 6080 E CA 0.754 57.176 56.400 0.036 0.000 0.828 6080 E CB -0.059 29.642 29.700 0.002 0.000 0.763 6080 E HN 0.323 nan 8.360 nan 0.000 0.478 6081 L N 0.371 121.661 121.223 0.112 0.000 2.156 6081 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 6081 L C 2.476 179.461 176.870 0.191 0.000 1.095 6081 L CA 0.743 55.685 54.840 0.170 0.000 0.770 6081 L CB -0.255 41.983 42.059 0.298 0.000 0.914 6081 L HN 0.130 nan 8.230 nan 0.000 0.439 6082 A N -0.651 122.327 122.820 0.262 0.000 1.930 6082 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 6082 A C 2.197 179.845 177.584 0.106 0.000 1.175 6082 A CA 1.174 53.337 52.037 0.210 0.000 0.627 6082 A CB -0.326 18.793 19.000 0.198 0.000 0.815 6082 A HN 0.434 nan 8.150 nan 0.000 0.443 6083 Q N -0.566 119.285 119.800 0.084 0.000 2.124 6083 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 6083 Q C 1.841 177.868 176.000 0.045 0.000 0.977 6083 Q CA 1.246 57.084 55.803 0.057 0.000 0.850 6083 Q CB -0.241 28.528 28.738 0.052 0.000 0.901 6083 Q HN 0.675 nan 8.270 nan 0.000 0.429 6084 L N -1.697 119.554 121.223 0.046 0.000 2.395 6084 L HA 0.046 4.386 4.340 -0.000 0.000 0.218 6084 L C 1.401 178.282 176.870 0.017 0.000 1.130 6084 L CA 0.847 55.704 54.840 0.029 0.000 0.826 6084 L CB 0.218 42.294 42.059 0.028 0.000 0.941 6084 L HN 0.447 nan 8.230 nan 0.000 0.451 6085 G N -1.087 107.725 108.800 0.020 0.000 2.672 6085 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.197 6085 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.197 6085 G C 0.212 175.097 174.900 -0.026 0.000 0.995 6085 G CA -0.714 44.387 45.100 0.002 0.000 0.754 6085 G HN -0.008 nan 8.290 nan 0.000 0.505 6086 I N 1.734 122.271 120.570 -0.054 0.000 2.618 6086 I HA 0.299 4.469 4.170 -0.000 0.000 0.284 6086 I C 1.215 177.251 176.117 -0.134 0.000 1.146 6086 I CA 0.305 61.487 61.300 -0.197 0.000 1.425 6086 I CB 0.960 38.699 38.000 -0.435 0.000 1.383 6086 I HN 0.102 nan 8.210 nan 0.000 0.562 6087 R N 3.046 123.455 120.500 -0.152 0.000 2.453 6087 R HA 0.182 4.522 4.340 -0.000 0.000 0.233 6087 R C -0.134 176.155 176.300 -0.019 0.000 0.895 6087 R CA 0.239 56.328 56.100 -0.018 0.000 1.028 6087 R CB 0.493 30.793 30.300 0.000 0.000 1.255 6087 R HN 0.525 nan 8.270 nan 0.000 0.571 6088 T N 1.254 115.694 114.554 -0.190 0.000 2.812 6088 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 6088 T C -0.921 173.599 174.700 -0.301 0.000 0.990 6088 T CA -0.265 61.764 62.100 -0.118 0.000 0.960 6088 T CB 1.197 70.017 68.868 -0.079 0.000 0.948 6088 T HN -0.156 nan 8.240 nan 0.000 0.438 6089 F N 2.684 122.630 119.950 -0.006 0.000 2.477 6089 F HA 0.544 5.071 4.527 0.000 0.000 0.335 6089 F C -0.282 175.514 175.800 -0.007 0.000 1.130 6089 F CA -1.000 56.996 58.000 -0.007 0.000 0.948 6089 F CB 1.358 40.349 39.000 -0.015 0.000 1.154 6089 F HN 0.235 nan 8.300 nan 0.000 0.439 6090 L N 4.578 125.884 121.223 0.139 0.000 2.316 6090 L HA 0.517 4.857 4.340 -0.000 0.000 0.280 6090 L C -0.037 176.889 176.870 0.093 0.000 1.006 6090 L CA -0.677 54.216 54.840 0.087 0.000 0.836 6090 L CB 1.686 43.765 42.059 0.034 0.000 1.221 6090 L HN 0.572 nan 8.230 nan 0.000 0.418 6091 R N 4.063 124.611 120.500 0.081 0.000 2.357 6091 R HA 0.504 4.844 4.340 -0.000 0.000 0.296 6091 R C -1.045 175.281 176.300 0.043 0.000 1.052 6091 R CA -0.434 55.705 56.100 0.065 0.000 0.988 6091 R CB 1.202 31.532 30.300 0.050 0.000 1.025 6091 R HN 0.481 nan 8.270 nan 0.000 0.469 6092 I N 3.988 124.581 120.570 0.039 0.000 2.466 6092 I HA 0.551 4.721 4.170 -0.000 0.000 0.289 6092 I C -0.572 175.562 176.117 0.027 0.000 1.026 6092 I CA -0.027 61.289 61.300 0.028 0.000 1.078 6092 I CB 1.472 39.484 38.000 0.019 0.000 1.249 6092 I HN 0.913 nan 8.210 nan 0.000 0.429 6093 G N 4.766 113.583 108.800 0.027 0.000 2.815 6093 G HA2 0.630 4.590 3.960 -0.000 0.000 0.305 6093 G HA3 0.630 4.590 3.960 -0.000 0.000 0.305 6093 G C -0.980 173.938 174.900 0.030 0.000 1.277 6093 G CA -0.246 44.870 45.100 0.027 0.000 0.795 6093 G HN 0.556 nan 8.290 nan 0.000 0.528 6094 T N -2.698 111.877 114.554 0.035 0.000 2.940 6094 T HA 0.741 5.091 4.350 -0.000 0.000 0.288 6094 T C -0.343 174.389 174.700 0.054 0.000 1.033 6094 T CA -0.493 61.632 62.100 0.043 0.000 1.033 6094 T CB 2.031 70.926 68.868 0.044 0.000 1.079 6094 T HN 0.871 nan 8.240 nan 0.000 0.496 6095 T N -0.535 114.051 114.554 0.053 0.000 2.843 6095 T HA 0.678 5.028 4.350 -0.000 0.000 0.302 6095 T C -0.674 174.057 174.700 0.051 0.000 1.232 6095 T CA -0.495 61.636 62.100 0.053 0.000 1.009 6095 T CB 1.410 70.300 68.868 0.038 0.000 1.254 6095 T HN 1.146 nan 8.240 nan 0.000 0.504 6096 G N 1.555 110.387 108.800 0.054 0.000 2.468 6096 G HA2 0.640 4.600 3.960 -0.000 0.000 0.315 6096 G HA3 0.640 4.600 3.960 -0.000 0.000 0.315 6096 G C -0.033 174.893 174.900 0.043 0.000 1.203 6096 G CA -0.250 44.879 45.100 0.049 0.000 0.962 6096 G HN 0.970 nan 8.290 nan 0.000 0.476 6097 A N 2.367 125.195 122.820 0.014 0.000 2.477 6097 A HA 0.486 4.806 4.320 -0.000 0.000 0.246 6097 A C 1.111 178.689 177.584 -0.010 0.000 1.078 6097 A CA -0.240 51.786 52.037 -0.018 0.000 0.770 6097 A CB 0.086 19.067 19.000 -0.032 0.000 1.011 6097 A HN 1.311 nan 8.150 nan 0.000 0.494 6098 I N -1.710 118.836 120.570 -0.040 0.000 4.081 6098 I HA 0.251 4.421 4.170 -0.000 0.000 0.333 6098 I C -0.177 175.928 176.117 -0.021 0.000 1.413 6098 I CA -0.341 60.947 61.300 -0.020 0.000 1.110 6098 I CB 0.220 38.185 38.000 -0.057 0.000 1.082 6098 I HN 0.330 nan 8.210 nan 0.000 0.402 6099 Q N 2.756 122.532 119.800 -0.041 0.000 2.293 6099 Q HA 0.386 4.726 4.340 -0.000 0.000 0.261 6099 Q C -1.812 174.170 176.000 -0.030 0.000 0.960 6099 Q CA -2.181 53.602 55.803 -0.033 0.000 0.882 6099 Q CB 1.845 30.548 28.738 -0.059 0.000 1.275 6099 Q HN 0.025 nan 8.270 nan 0.000 0.445 6100 P HA -0.163 nan 4.420 nan 0.000 0.221 6100 P C 0.551 177.769 177.300 -0.136 0.000 1.145 6100 P CA 1.411 64.471 63.100 -0.067 0.000 0.795 6100 P CB 0.419 32.081 31.700 -0.063 0.000 0.775 6101 H N -1.318 117.719 119.070 -0.056 0.000 2.586 6101 H HA 0.292 4.848 4.556 -0.000 0.000 0.273 6101 H C 0.776 176.053 175.328 -0.086 0.000 0.997 6101 H CA -0.255 55.763 56.048 -0.050 0.000 1.177 6101 H CB 0.344 30.087 29.762 -0.032 0.000 1.471 6101 H HN 0.181 nan 8.280 nan 0.000 0.538 6102 I N 2.328 122.861 120.570 -0.062 0.000 2.312 6102 I HA -0.010 4.160 4.170 -0.000 0.000 0.291 6102 I C 0.463 176.565 176.117 -0.025 0.000 1.031 6102 I CA -0.358 60.867 61.300 -0.125 0.000 1.293 6102 I CB 0.742 38.598 38.000 -0.240 0.000 1.403 6102 I HN 0.039 nan 8.210 nan 0.000 0.484 6103 N N 5.633 124.352 118.700 0.032 0.000 2.498 6103 N HA 0.197 4.937 4.740 -0.000 0.000 0.287 6103 N C -0.606 174.916 175.510 0.020 0.000 1.097 6103 N CA -0.385 52.679 53.050 0.024 0.000 0.973 6103 N CB 1.364 39.873 38.487 0.036 0.000 1.153 6103 N HN 0.255 nan 8.380 nan 0.000 0.472 6104 V N 3.005 122.925 119.914 0.010 0.000 2.584 6104 V HA 0.239 4.359 4.120 -0.000 0.000 0.303 6104 V C 1.590 177.688 176.094 0.006 0.000 1.035 6104 V CA 1.739 64.046 62.300 0.012 0.000 1.172 6104 V CB -0.089 31.741 31.823 0.012 0.000 0.896 6104 V HN 1.042 nan 8.190 nan 0.000 0.486 6105 G N 3.869 112.675 108.800 0.008 0.000 2.278 6105 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.210 6105 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.210 6105 G C -0.039 174.845 174.900 -0.026 0.000 1.000 6105 G CA -0.080 45.014 45.100 -0.011 0.000 0.635 6105 G HN 0.651 nan 8.290 nan 0.000 0.495 6106 D N 0.690 121.094 120.400 0.007 0.000 2.400 6106 D HA 0.420 5.059 4.640 -0.000 0.000 0.238 6106 D C 0.652 176.983 176.300 0.051 0.000 1.157 6106 D CA 0.273 54.295 54.000 0.038 0.000 0.889 6106 D CB 1.622 42.514 40.800 0.153 0.000 1.199 6106 D HN 0.245 nan 8.370 nan 0.000 0.436 6107 V N 2.663 122.603 119.914 0.044 0.000 2.427 6107 V HA 0.312 4.432 4.120 -0.000 0.000 0.286 6107 V C 0.237 176.372 176.094 0.068 0.000 1.034 6107 V CA -0.705 61.624 62.300 0.049 0.000 0.893 6107 V CB 1.146 32.993 31.823 0.040 0.000 0.982 6107 V HN 0.264 nan 8.190 nan 0.000 0.452 6108 L N 5.408 126.669 121.223 0.064 0.000 2.319 6108 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 6108 L C -0.590 176.303 176.870 0.037 0.000 1.005 6108 L CA -0.722 54.158 54.840 0.068 0.000 0.828 6108 L CB 1.824 43.918 42.059 0.058 0.000 1.227 6108 L HN 0.343 nan 8.230 nan 0.000 0.415 6109 V N 2.042 121.974 119.914 0.031 0.000 2.407 6109 V HA 0.288 4.408 4.120 -0.000 0.000 0.278 6109 V C 0.440 176.541 176.094 0.011 0.000 1.037 6109 V CA -0.296 62.012 62.300 0.013 0.000 0.900 6109 V CB 1.588 33.410 31.823 -0.000 0.000 0.983 6109 V HN 0.724 nan 8.190 nan 0.000 0.459 6110 T N 3.450 118.006 114.554 0.004 0.000 2.767 6110 T HA 0.241 4.591 4.350 -0.000 0.000 0.288 6110 T C 1.288 175.989 174.700 0.000 0.000 0.963 6110 T CA 0.116 62.214 62.100 -0.002 0.000 1.019 6110 T CB 1.361 70.224 68.868 -0.008 0.000 0.923 6110 T HN 0.961 nan 8.240 nan 0.000 0.468 6111 T N 0.818 115.373 114.554 0.001 0.000 2.852 6111 T HA 0.453 4.803 4.350 -0.000 0.000 0.256 6111 T C 0.774 175.475 174.700 0.003 0.000 1.038 6111 T CA 0.321 62.428 62.100 0.011 0.000 1.141 6111 T CB 0.116 68.995 68.868 0.018 0.000 0.869 6111 T HN 0.755 nan 8.240 nan 0.000 0.439 6112 A N 0.049 122.861 122.820 -0.014 0.000 2.610 6112 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 6112 A C -0.966 176.591 177.584 -0.045 0.000 1.086 6112 A CA -0.841 51.180 52.037 -0.026 0.000 0.677 6112 A CB 1.516 20.495 19.000 -0.035 0.000 1.278 6112 A HN 0.245 nan 8.150 nan 0.000 0.414 6113 S N -0.314 115.356 115.700 -0.049 0.000 2.532 6113 S HA 0.563 5.033 4.470 -0.000 0.000 0.301 6113 S C -0.413 174.123 174.600 -0.106 0.000 1.083 6113 S CA -0.540 57.613 58.200 -0.077 0.000 1.025 6113 S CB 1.676 64.845 63.200 -0.052 0.000 1.056 6113 S HN 0.815 nan 8.310 nan 0.000 0.494 6114 V N 3.495 123.292 119.914 -0.194 0.000 2.446 6114 V HA 0.143 4.263 4.120 -0.000 0.000 0.276 6114 V C 0.713 176.709 176.094 -0.164 0.000 1.030 6114 V CA 0.031 62.169 62.300 -0.269 0.000 1.033 6114 V CB -0.320 31.126 31.823 -0.629 0.000 0.993 6114 V HN 0.693 nan 8.190 nan 0.000 0.477 6115 R N 5.329 125.788 120.500 -0.068 0.000 3.247 6115 R HA 0.230 4.570 4.340 -0.000 0.000 0.212 6115 R C 0.182 176.514 176.300 0.054 0.000 1.604 6115 R CA -0.055 56.052 56.100 0.013 0.000 1.279 6115 R CB -0.138 30.196 30.300 0.056 0.000 1.277 6115 R HN 0.676 nan 8.270 nan 0.000 0.669 6116 L N 1.728 122.988 121.223 0.062 0.000 2.851 6116 L HA 0.099 4.439 4.340 -0.000 0.000 0.237 6116 L C 0.457 177.426 176.870 0.165 0.000 1.257 6116 L CA -0.217 54.732 54.840 0.181 0.000 1.061 6116 L CB -0.706 41.512 42.059 0.265 0.000 1.372 6116 L HN 0.486 nan 8.230 nan 0.000 0.493 6117 D N -1.367 119.105 120.400 0.120 0.000 2.650 6117 D HA 0.330 4.970 4.640 -0.000 0.000 0.255 6117 D C 0.730 177.102 176.300 0.120 0.000 1.135 6117 D CA -0.227 53.835 54.000 0.103 0.000 1.099 6117 D CB 1.742 42.586 40.800 0.074 0.000 1.273 6117 D HN -0.081 nan 8.370 nan 0.000 0.628 6118 G N -1.168 107.694 108.800 0.104 0.000 2.768 6118 G HA2 0.243 4.203 3.960 -0.000 0.000 0.201 6118 G HA3 0.243 4.203 3.960 -0.000 0.000 0.201 6118 G C 1.322 176.311 174.900 0.148 0.000 1.089 6118 G CA 0.642 45.821 45.100 0.131 0.000 0.787 6118 G HN 0.614 nan 8.290 nan 0.000 0.547 6119 A N 1.841 124.680 122.820 0.032 0.000 1.972 6119 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 6119 A C 2.681 180.415 177.584 0.250 0.000 1.169 6119 A CA 2.557 54.573 52.037 -0.035 0.000 0.635 6119 A CB -0.744 18.260 19.000 0.006 0.000 0.810 6119 A HN 0.785 nan 8.150 nan 0.000 0.446 6120 S N 0.316 116.166 115.700 0.251 0.000 2.383 6120 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 6120 S C 1.726 176.507 174.600 0.300 0.000 1.030 6120 S CA 1.566 59.945 58.200 0.298 0.000 1.002 6120 S CB -0.806 62.502 63.200 0.180 0.000 0.829 6120 S HN 0.465 nan 8.310 nan 0.000 0.467 6121 L N 0.825 122.196 121.223 0.246 0.000 2.456 6121 L HA -0.002 4.338 4.340 -0.000 0.000 0.224 6121 L C 2.249 179.159 176.870 0.066 0.000 1.148 6121 L CA 0.989 55.922 54.840 0.155 0.000 0.825 6121 L CB -0.694 41.438 42.059 0.122 0.000 0.937 6121 L HN 0.503 nan 8.230 nan 0.000 0.450 6122 H N -1.717 117.293 119.070 -0.100 0.000 2.547 6122 H HA 0.039 4.595 4.556 0.000 0.000 0.266 6122 H C 1.155 176.105 175.328 -0.630 0.000 0.988 6122 H CA 0.647 56.476 56.048 -0.365 0.000 1.147 6122 H CB 0.438 29.910 29.762 -0.484 0.000 1.365 6122 H HN 0.370 nan 8.280 nan 0.000 0.589 6123 F N -0.415 119.557 119.950 0.036 0.000 2.699 6123 F HA 0.437 4.964 4.527 -0.000 0.000 0.295 6123 F C 0.820 176.533 175.800 -0.144 0.000 1.052 6123 F CA -0.053 57.913 58.000 -0.056 0.000 1.239 6123 F CB 1.039 39.998 39.000 -0.068 0.000 1.018 6123 F HN -0.043 nan 8.300 nan 0.000 0.627 6124 A N 0.593 123.440 122.820 0.046 0.000 2.566 6124 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 6124 A C -2.826 174.778 177.584 0.033 0.000 1.059 6124 A CA -1.433 50.555 52.037 -0.082 0.000 0.691 6124 A CB 0.726 19.492 19.000 -0.391 0.000 1.282 6124 A HN -0.172 nan 8.150 nan 0.000 0.401 6125 P HA 0.122 nan 4.420 nan 0.000 0.270 6125 P C 0.831 178.208 177.300 0.128 0.000 1.223 6125 P CA -0.233 62.910 63.100 0.071 0.000 0.785 6125 P CB 0.465 32.200 31.700 0.058 0.000 0.923 6126 M N 1.271 120.933 119.600 0.103 0.000 2.260 6126 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 6126 M C 1.474 177.844 176.300 0.116 0.000 1.066 6126 M CA 1.907 57.273 55.300 0.110 0.000 1.082 6126 M CB -1.133 31.517 32.600 0.083 0.000 1.388 6126 M HN 0.302 nan 8.290 nan 0.000 0.419 6127 E N -0.666 119.603 120.200 0.114 0.000 2.118 6127 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 6127 E C 0.377 177.048 176.600 0.118 0.000 0.992 6127 E CA 0.780 57.240 56.400 0.099 0.000 0.804 6127 E CB -0.492 29.262 29.700 0.090 0.000 0.741 6127 E HN 0.511 nan 8.360 nan 0.000 0.458 6128 F N 2.612 122.579 119.950 0.029 0.000 2.578 6128 F HA 0.101 4.628 4.527 -0.000 0.000 0.376 6128 F C -1.968 173.847 175.800 0.025 0.000 1.085 6128 F CA -2.457 55.560 58.000 0.029 0.000 1.260 6128 F CB 0.521 39.544 39.000 0.038 0.000 1.095 6128 F HN -0.099 nan 8.300 nan 0.000 0.573 6129 P HA 0.166 nan 4.420 nan 0.000 0.281 6129 P C -1.233 175.984 177.300 -0.139 0.000 1.252 6129 P CA -0.446 62.498 63.100 -0.261 0.000 0.778 6129 P CB 1.303 32.812 31.700 -0.318 0.000 0.895 6130 A N 3.979 126.802 122.820 0.005 0.000 3.048 6130 A HA 0.242 4.562 4.320 -0.000 0.000 0.264 6130 A C 0.273 177.860 177.584 0.005 0.000 1.796 6130 A CA -0.268 51.801 52.037 0.054 0.000 1.445 6130 A CB -1.030 17.997 19.000 0.044 0.000 1.074 6130 A HN 0.468 nan 8.150 nan 0.000 0.621 6131 V N 1.944 121.851 119.914 -0.011 0.000 2.427 6131 V HA 0.678 4.798 4.120 -0.000 0.000 0.286 6131 V C 0.661 176.768 176.094 0.022 0.000 1.034 6131 V CA -0.232 62.057 62.300 -0.018 0.000 0.893 6131 V CB 1.238 33.022 31.823 -0.065 0.000 0.982 6131 V HN 0.914 nan 8.190 nan 0.000 0.452 6132 A N 4.471 127.306 122.820 0.025 0.000 2.366 6132 A HA 0.347 4.667 4.320 -0.000 0.000 0.249 6132 A C 0.142 177.764 177.584 0.063 0.000 1.084 6132 A CA -0.078 51.983 52.037 0.039 0.000 0.794 6132 A CB 0.087 19.104 19.000 0.027 0.000 1.034 6132 A HN 1.037 nan 8.150 nan 0.000 0.491 6133 D N -0.399 120.042 120.400 0.069 0.000 2.414 6133 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 6133 D C 0.686 177.054 176.300 0.114 0.000 1.129 6133 D CA -0.037 54.020 54.000 0.096 0.000 0.885 6133 D CB 0.189 41.038 40.800 0.081 0.000 1.198 6133 D HN 0.369 nan 8.370 nan 0.000 0.437 6134 F N 3.832 123.787 119.950 0.010 0.000 2.075 6134 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 6134 F C 2.070 177.874 175.800 0.007 0.000 1.113 6134 F CA 1.812 59.815 58.000 0.005 0.000 1.218 6134 F CB -0.547 38.454 39.000 0.002 0.000 0.984 6134 F HN 0.485 nan 8.300 nan 0.000 0.472 6135 A N -0.553 122.249 122.820 -0.029 0.000 1.940 6135 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 6135 A C 2.342 179.842 177.584 -0.139 0.000 1.176 6135 A CA 1.863 53.825 52.037 -0.124 0.000 0.631 6135 A CB -1.694 17.314 19.000 0.014 0.000 0.814 6135 A HN 0.589 nan 8.150 nan 0.000 0.446 6136 C N -1.279 117.981 119.300 -0.068 0.000 2.446 6136 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 6136 C C 3.037 177.979 174.990 -0.081 0.000 1.275 6136 C CA 1.453 60.442 59.018 -0.050 0.000 1.727 6136 C CB -1.415 26.326 27.740 0.002 0.000 2.010 6136 C HN 0.654 nan 8.230 nan 0.000 0.486 6137 T N 0.498 114.987 114.554 -0.109 0.000 2.737 6137 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 6137 T C 1.845 176.434 174.700 -0.186 0.000 1.038 6137 T CA 2.069 64.099 62.100 -0.117 0.000 1.144 6137 T CB -0.549 68.269 68.868 -0.084 0.000 0.866 6137 T HN 0.556 nan 8.240 nan 0.000 0.434 6138 T N 2.245 116.590 114.554 -0.348 0.000 2.635 6138 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 6138 T C 2.403 176.987 174.700 -0.193 0.000 1.040 6138 T CA 1.390 63.277 62.100 -0.354 0.000 1.156 6138 T CB -0.713 67.811 68.868 -0.573 0.000 0.863 6138 T HN 0.439 nan 8.240 nan 0.000 0.430 6139 A N 1.010 123.733 122.820 -0.160 0.000 1.917 6139 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 6139 A C 2.329 179.869 177.584 -0.072 0.000 1.182 6139 A CA 1.532 53.511 52.037 -0.096 0.000 0.633 6139 A CB -0.932 18.023 19.000 -0.075 0.000 0.819 6139 A HN 0.497 nan 8.150 nan 0.000 0.448 6140 L N -0.868 120.313 121.223 -0.070 0.000 2.056 6140 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 6140 L C 2.555 179.398 176.870 -0.045 0.000 1.078 6140 L CA 1.049 55.862 54.840 -0.046 0.000 0.749 6140 L CB -0.479 41.559 42.059 -0.035 0.000 0.901 6140 L HN 0.257 nan 8.230 nan 0.000 0.433 6141 V N -0.343 119.535 119.914 -0.061 0.000 2.307 6141 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 6141 V C 2.386 178.451 176.094 -0.049 0.000 1.045 6141 V CA 1.898 64.166 62.300 -0.054 0.000 1.024 6141 V CB -0.411 31.374 31.823 -0.063 0.000 0.651 6141 V HN 0.414 nan 8.190 nan 0.000 0.449 6142 E N -0.097 120.067 120.200 -0.059 0.000 2.110 6142 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 6142 E C 2.259 178.837 176.600 -0.036 0.000 0.988 6142 E CA 1.262 57.633 56.400 -0.048 0.000 0.804 6142 E CB -0.299 29.367 29.700 -0.056 0.000 0.745 6142 E HN 0.581 nan 8.360 nan 0.000 0.458 6143 A N 0.893 123.691 122.820 -0.036 0.000 1.902 6143 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 6143 A C 2.363 179.937 177.584 -0.017 0.000 1.181 6143 A CA 1.744 53.766 52.037 -0.026 0.000 0.623 6143 A CB -0.794 18.190 19.000 -0.027 0.000 0.818 6143 A HN 0.361 nan 8.150 nan 0.000 0.443 6144 A N 0.096 122.907 122.820 -0.015 0.000 1.902 6144 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 6144 A C 2.151 179.732 177.584 -0.006 0.000 1.181 6144 A CA 2.007 54.042 52.037 -0.004 0.000 0.623 6144 A CB -0.404 18.589 19.000 -0.012 0.000 0.818 6144 A HN 0.492 nan 8.150 nan 0.000 0.443 6145 K N 0.654 121.043 120.400 -0.019 0.000 2.365 6145 K HA -0.075 4.245 4.320 -0.000 0.000 0.199 6145 K C 1.893 178.486 176.600 -0.012 0.000 1.045 6145 K CA 1.767 58.042 56.287 -0.019 0.000 0.962 6145 K CB -0.226 32.259 32.500 -0.026 0.000 0.759 6145 K HN 0.538 nan 8.250 nan 0.000 0.469 6146 S N 0.880 116.573 115.700 -0.012 0.000 2.439 6146 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 6146 S C 2.091 176.688 174.600 -0.006 0.000 1.029 6146 S CA 0.438 58.632 58.200 -0.011 0.000 0.946 6146 S CB -0.528 62.662 63.200 -0.015 0.000 0.797 6146 S HN 0.484 nan 8.310 nan 0.000 0.504 6147 I N -1.591 118.979 120.570 0.000 0.000 3.603 6147 I HA 0.504 4.674 4.170 -0.000 0.000 0.297 6147 I C 1.401 177.541 176.117 0.039 0.000 1.269 6147 I CA 0.430 61.734 61.300 0.006 0.000 1.361 6147 I CB -0.440 37.554 38.000 -0.009 0.000 1.063 6147 I HN 0.367 nan 8.210 nan 0.000 0.448 6148 G N 1.641 110.463 108.800 0.036 0.000 2.182 6148 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 6148 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 6148 G C 0.281 175.216 174.900 0.059 0.000 1.042 6148 G CA 0.027 45.148 45.100 0.036 0.000 0.775 6148 G HN 0.955 nan 8.290 nan 0.000 0.501 6149 A N -0.088 122.783 122.820 0.084 0.000 2.340 6149 A HA 0.735 5.055 4.320 -0.000 0.000 0.268 6149 A C 0.901 178.450 177.584 -0.057 0.000 1.100 6149 A CA 0.680 52.746 52.037 0.048 0.000 0.803 6149 A CB 0.444 19.528 19.000 0.140 0.000 1.043 6149 A HN 0.891 nan 8.150 nan 0.000 0.488 6150 T N 2.848 117.332 114.554 -0.118 0.000 2.751 6150 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 6150 T C 0.068 174.658 174.700 -0.183 0.000 0.919 6150 T CA 0.658 62.671 62.100 -0.144 0.000 1.136 6150 T CB -0.236 68.570 68.868 -0.103 0.000 0.875 6150 T HN 0.615 nan 8.240 nan 0.000 0.532 6151 T N 4.573 118.954 114.554 -0.287 0.000 2.861 6151 T HA 0.383 4.733 4.350 -0.000 0.000 0.287 6151 T C -0.657 173.779 174.700 -0.441 0.000 1.003 6151 T CA -0.794 61.162 62.100 -0.241 0.000 0.977 6151 T CB 0.945 69.744 68.868 -0.115 0.000 0.996 6151 T HN 0.548 nan 8.240 nan 0.000 0.448 6152 H N 1.269 120.335 119.070 -0.008 0.000 2.547 6152 H HA 0.524 5.080 4.556 -0.000 0.000 0.342 6152 H C -0.976 174.347 175.328 -0.009 0.000 1.048 6152 H CA -0.529 55.514 56.048 -0.008 0.000 1.204 6152 H CB 1.827 31.586 29.762 -0.005 0.000 1.493 6152 H HN 0.273 nan 8.280 nan 0.000 0.511 6153 V N 2.622 122.588 119.914 0.087 0.000 2.417 6153 V HA 0.707 4.827 4.120 -0.000 0.000 0.291 6153 V C 0.576 176.696 176.094 0.043 0.000 1.024 6153 V CA -0.170 62.157 62.300 0.045 0.000 0.861 6153 V CB 1.348 33.181 31.823 0.018 0.000 0.985 6153 V HN 1.090 nan 8.190 nan 0.000 0.436 6154 G N 3.231 112.046 108.800 0.026 0.000 2.356 6154 G HA2 0.401 4.361 3.960 -0.000 0.000 0.281 6154 G HA3 0.401 4.361 3.960 -0.000 0.000 0.281 6154 G C -1.315 173.578 174.900 -0.011 0.000 1.246 6154 G CA -0.421 44.685 45.100 0.010 0.000 0.889 6154 G HN 0.503 nan 8.290 nan 0.000 0.486 6155 V N 0.609 120.506 119.914 -0.028 0.000 2.732 6155 V HA 0.634 4.754 4.120 -0.000 0.000 0.297 6155 V C 0.282 176.323 176.094 -0.089 0.000 1.060 6155 V CA -0.020 62.245 62.300 -0.057 0.000 1.038 6155 V CB 1.362 33.146 31.823 -0.065 0.000 1.003 6155 V HN 0.768 nan 8.190 nan 0.000 0.481 6156 T N 3.171 117.658 114.554 -0.111 0.000 2.824 6156 T HA 0.619 4.969 4.350 -0.000 0.000 0.282 6156 T C -0.080 174.494 174.700 -0.209 0.000 0.993 6156 T CA -0.270 61.748 62.100 -0.138 0.000 0.967 6156 T CB 1.575 70.397 68.868 -0.077 0.000 0.960 6156 T HN 0.949 nan 8.240 nan 0.000 0.441 6157 A N 2.479 125.111 122.820 -0.313 0.000 2.354 6157 A HA 0.581 4.901 4.320 -0.000 0.000 0.281 6157 A C 0.497 178.019 177.584 -0.104 0.000 1.174 6157 A CA -0.369 51.434 52.037 -0.390 0.000 0.828 6157 A CB 0.218 18.781 19.000 -0.728 0.000 1.099 6157 A HN 0.644 nan 8.150 nan 0.000 0.516 6158 S N 2.376 118.030 115.700 -0.076 0.000 2.532 6158 S HA 0.482 4.952 4.470 -0.000 0.000 0.318 6158 S C -0.037 174.583 174.600 0.033 0.000 1.083 6158 S CA -0.335 57.867 58.200 0.004 0.000 1.131 6158 S CB 0.254 63.448 63.200 -0.011 0.000 0.973 6158 S HN 0.970 nan 8.310 nan 0.000 0.468 6159 S N 3.130 118.855 115.700 0.041 0.000 2.578 6159 S HA 0.344 4.814 4.470 -0.000 0.000 0.283 6159 S C 0.574 175.161 174.600 -0.021 0.000 1.195 6159 S CA -0.550 57.645 58.200 -0.008 0.000 1.050 6159 S CB 1.112 64.225 63.200 -0.144 0.000 1.012 6159 S HN 0.712 nan 8.310 nan 0.000 0.511 6160 D N 1.720 122.115 120.400 -0.008 0.000 2.363 6160 D HA 0.110 4.750 4.640 -0.000 0.000 0.220 6160 D C 0.698 176.990 176.300 -0.015 0.000 0.994 6160 D CA 0.758 54.762 54.000 0.006 0.000 0.890 6160 D CB 0.160 40.984 40.800 0.041 0.000 0.906 6160 D HN 0.721 nan 8.370 nan 0.000 0.530 6161 T N -4.033 110.476 114.554 -0.075 0.000 2.916 6161 T HA 0.298 4.648 4.350 -0.000 0.000 0.292 6161 T C 0.535 175.177 174.700 -0.096 0.000 1.055 6161 T CA -0.874 61.194 62.100 -0.053 0.000 1.009 6161 T CB 1.213 70.038 68.868 -0.071 0.000 1.118 6161 T HN -0.113 nan 8.240 nan 0.000 0.497 6162 F N -0.285 119.537 119.950 -0.214 0.000 2.387 6162 F HA 0.206 4.733 4.527 -0.000 0.000 0.294 6162 F C 1.053 176.524 175.800 -0.549 0.000 1.093 6162 F CA 0.690 58.447 58.000 -0.405 0.000 1.420 6162 F CB 0.043 38.741 39.000 -0.503 0.000 1.086 6162 F HN 0.673 nan 8.300 nan 0.000 0.531 6163 Y N 0.470 120.701 120.300 -0.113 0.000 2.382 6163 Y HA 0.158 4.708 4.550 -0.000 0.000 0.263 6163 Y C -0.561 175.147 175.900 -0.320 0.000 1.103 6163 Y CA 0.346 58.333 58.100 -0.189 0.000 1.223 6163 Y CB -1.842 36.602 38.460 -0.026 0.000 1.124 6163 Y HN -0.214 nan 8.280 nan 0.000 0.501 6164 P HA -0.063 nan 4.420 nan 0.000 0.217 6164 P C 1.463 178.475 177.300 -0.479 0.000 1.151 6164 P CA 2.099 65.060 63.100 -0.231 0.000 0.828 6164 P CB -0.153 31.480 31.700 -0.112 0.000 0.788 6165 G N -0.053 108.339 108.800 -0.680 0.000 2.534 6165 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 6165 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 6165 G C 1.326 175.730 174.900 -0.827 0.000 1.128 6165 G CA 0.229 44.614 45.100 -1.193 0.000 0.784 6165 G HN 0.360 nan 8.290 nan 0.000 0.542 6166 Q N -0.442 118.876 119.800 -0.804 0.000 2.189 6166 Q HA 0.203 4.543 4.340 -0.000 0.000 0.221 6166 Q C -0.031 175.564 176.000 -0.676 0.000 0.848 6166 Q CA -0.267 54.793 55.803 -1.238 0.000 1.007 6166 Q CB 0.453 28.425 28.738 -1.278 0.000 1.116 6166 Q HN 0.609 nan 8.270 nan 0.000 0.481 6167 E N 1.696 121.647 120.200 -0.416 0.000 2.199 6167 E HA -0.245 4.105 4.350 -0.000 0.000 0.208 6167 E C -0.913 175.461 176.600 -0.377 0.000 1.310 6167 E CA 0.162 56.367 56.400 -0.324 0.000 0.709 6167 E CB -0.343 29.319 29.700 -0.064 0.000 1.127 6167 E HN 0.311 nan 8.360 nan 0.000 0.354 6168 R N 0.166 120.448 120.500 -0.364 0.000 2.297 6168 R HA 0.214 4.554 4.340 -0.000 0.000 0.308 6168 R C 0.244 176.409 176.300 -0.225 0.000 1.029 6168 R CA -0.154 55.836 56.100 -0.184 0.000 0.929 6168 R CB 0.519 30.795 30.300 -0.041 0.000 1.046 6168 R HN 0.253 nan 8.270 nan 0.000 0.461 6169 Y N -0.273 120.060 120.300 0.054 0.000 2.442 6169 Y HA 0.082 4.632 4.550 -0.000 0.000 0.250 6169 Y C 0.309 176.231 175.900 0.037 0.000 1.113 6169 Y CA -0.207 57.916 58.100 0.039 0.000 1.273 6169 Y CB 0.744 39.218 38.460 0.023 0.000 1.138 6169 Y HN 0.492 nan 8.280 nan 0.000 0.522 6170 D N 1.298 121.808 120.400 0.185 0.000 2.982 6170 D HA 0.041 4.681 4.640 -0.000 0.000 0.238 6170 D C 0.461 176.805 176.300 0.074 0.000 1.168 6170 D CA 0.289 54.364 54.000 0.126 0.000 0.947 6170 D CB -0.385 40.491 40.800 0.128 0.000 1.147 6170 D HN 0.235 nan 8.370 nan 0.000 0.450 6171 T N -3.894 110.680 114.554 0.034 0.000 2.919 6171 T HA 0.209 4.559 4.350 -0.000 0.000 0.282 6171 T C 1.187 175.886 174.700 -0.001 0.000 1.020 6171 T CA -0.882 61.182 62.100 -0.060 0.000 0.994 6171 T CB 0.922 69.732 68.868 -0.096 0.000 1.180 6171 T HN 0.142 nan 8.240 nan 0.000 0.566 6172 Y N 1.295 121.524 120.300 -0.119 0.000 2.081 6172 Y HA -0.208 4.342 4.550 -0.000 0.000 0.280 6172 Y C 2.741 178.621 175.900 -0.033 0.000 1.163 6172 Y CA 2.626 60.683 58.100 -0.072 0.000 1.135 6172 Y CB -0.364 38.047 38.460 -0.082 0.000 0.970 6172 Y HN 0.747 nan 8.280 nan 0.000 0.498 6173 S N -1.243 114.333 115.700 -0.206 0.000 2.439 6173 S HA 0.178 4.648 4.470 -0.000 0.000 0.224 6173 S C 1.832 176.362 174.600 -0.115 0.000 1.029 6173 S CA 0.603 58.650 58.200 -0.256 0.000 0.946 6173 S CB -0.233 62.917 63.200 -0.083 0.000 0.797 6173 S HN 1.028 nan 8.310 nan 0.000 0.504 6174 G N 2.047 110.833 108.800 -0.023 0.000 2.162 6174 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 6174 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 6174 G C 0.046 175.047 174.900 0.167 0.000 0.976 6174 G CA 0.316 45.460 45.100 0.072 0.000 0.655 6174 G HN 1.000 nan 8.290 nan 0.000 0.533 6175 R N -1.106 119.458 120.500 0.106 0.000 2.732 6175 R HA 0.835 5.175 4.340 -0.000 0.000 0.278 6175 R C -0.922 175.431 176.300 0.089 0.000 0.976 6175 R CA -0.984 55.199 56.100 0.139 0.000 0.963 6175 R CB 2.255 32.602 30.300 0.078 0.000 1.150 6175 R HN 0.239 nan 8.270 nan 0.000 0.478 6176 V N 2.442 122.427 119.914 0.120 0.000 2.588 6176 V HA 0.239 4.359 4.120 -0.000 0.000 0.304 6176 V C 0.009 176.172 176.094 0.116 0.000 1.042 6176 V CA -1.100 61.229 62.300 0.048 0.000 0.877 6176 V CB 1.844 33.617 31.823 -0.083 0.000 0.996 6176 V HN 0.695 nan 8.190 nan 0.000 0.425 6177 V N 5.488 125.484 119.914 0.136 0.000 3.061 6177 V HA 0.023 4.143 4.120 -0.000 0.000 0.306 6177 V C 1.883 178.046 176.094 0.115 0.000 1.118 6177 V CA 0.805 63.185 62.300 0.135 0.000 1.231 6177 V CB 0.833 32.757 31.823 0.169 0.000 0.956 6177 V HN 0.972 nan 8.190 nan 0.000 0.499 6178 R N 3.439 123.976 120.500 0.061 0.000 2.119 6178 R HA -0.221 4.119 4.340 -0.000 0.000 0.246 6178 R C 2.298 178.580 176.300 -0.029 0.000 1.146 6178 R CA 2.538 58.651 56.100 0.021 0.000 0.962 6178 R CB -0.312 29.991 30.300 0.005 0.000 0.863 6178 R HN 0.827 nan 8.270 nan 0.000 0.442 6179 R N -0.603 119.841 120.500 -0.093 0.000 2.091 6179 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 6179 R C 1.433 177.501 176.300 -0.386 0.000 1.136 6179 R CA 1.925 57.850 56.100 -0.292 0.000 0.959 6179 R CB -0.174 29.850 30.300 -0.461 0.000 0.856 6179 R HN 0.281 nan 8.270 nan 0.000 0.437 6180 F N 0.503 120.469 119.950 0.028 0.000 2.727 6180 F HA 0.256 4.783 4.527 0.000 0.000 0.302 6180 F C 0.520 176.320 175.800 0.001 0.000 1.097 6180 F CA -0.258 57.755 58.000 0.022 0.000 1.330 6180 F CB 0.359 39.378 39.000 0.031 0.000 1.084 6180 F HN -0.295 nan 8.300 nan 0.000 0.578 6181 K N 1.211 121.693 120.400 0.137 0.000 2.395 6181 K HA 0.154 4.474 4.320 -0.000 0.000 0.283 6181 K C 1.063 177.702 176.600 0.066 0.000 1.068 6181 K CA 0.779 57.144 56.287 0.129 0.000 1.039 6181 K CB -0.003 32.557 32.500 0.100 0.000 0.924 6181 K HN 0.420 nan 8.250 nan 0.000 0.468 6182 G N 2.428 111.285 108.800 0.095 0.000 2.176 6182 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.252 6182 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.252 6182 G C 0.755 175.607 174.900 -0.080 0.000 1.024 6182 G CA 0.788 45.901 45.100 0.022 0.000 0.755 6182 G HN 0.688 nan 8.290 nan 0.000 0.507 6183 S N -1.171 114.489 115.700 -0.067 0.000 2.425 6183 S HA 0.138 4.608 4.470 -0.000 0.000 0.225 6183 S C 2.206 176.543 174.600 -0.439 0.000 1.024 6183 S CA 1.272 59.286 58.200 -0.309 0.000 0.951 6183 S CB -0.178 63.013 63.200 -0.014 0.000 0.796 6183 S HN 0.558 nan 8.310 nan 0.000 0.498 6184 M N 1.223 120.828 119.600 0.008 0.000 2.175 6184 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 6184 M C 2.414 178.732 176.300 0.030 0.000 1.063 6184 M CA 1.664 57.066 55.300 0.171 0.000 1.119 6184 M CB -0.222 32.562 32.600 0.305 0.000 1.377 6184 M HN 0.320 nan 8.290 nan 0.000 0.415 6185 E N 0.669 120.857 120.200 -0.021 0.000 2.110 6185 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 6185 E C 1.597 178.152 176.600 -0.075 0.000 0.988 6185 E CA 1.619 58.002 56.400 -0.029 0.000 0.804 6185 E CB -0.082 29.602 29.700 -0.026 0.000 0.745 6185 E HN 0.667 nan 8.360 nan 0.000 0.458 6186 E N -0.611 119.465 120.200 -0.208 0.000 2.047 6186 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 6186 E C 2.104 178.647 176.600 -0.095 0.000 0.987 6186 E CA 1.279 57.525 56.400 -0.255 0.000 0.799 6186 E CB -0.365 29.021 29.700 -0.523 0.000 0.752 6186 E HN 0.414 nan 8.360 nan 0.000 0.449 6187 W N 1.564 122.864 121.300 -0.001 0.000 2.342 6187 W HA -0.189 4.471 4.660 -0.000 0.000 0.297 6187 W C 2.595 179.075 176.519 -0.065 0.000 1.213 6187 W CA 0.368 57.684 57.345 -0.048 0.000 1.251 6187 W CB -0.120 29.270 29.460 -0.115 0.000 1.136 6187 W HN 0.178 nan 8.180 nan 0.000 0.526 6188 Q N 0.892 120.778 119.800 0.145 0.000 2.079 6188 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 6188 Q C 2.394 178.425 176.000 0.051 0.000 0.974 6188 Q CA 1.849 57.692 55.803 0.066 0.000 0.840 6188 Q CB -0.377 28.385 28.738 0.041 0.000 0.898 6188 Q HN 0.244 nan 8.270 nan 0.000 0.430 6189 A N 0.471 123.316 122.820 0.041 0.000 1.972 6189 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 6189 A C 1.879 179.490 177.584 0.044 0.000 1.169 6189 A CA 1.256 53.310 52.037 0.029 0.000 0.635 6189 A CB -0.375 18.630 19.000 0.008 0.000 0.810 6189 A HN 0.456 nan 8.150 nan 0.000 0.446 6190 M N -1.233 118.413 119.600 0.078 0.000 2.618 6190 M HA 0.155 4.635 4.480 -0.000 0.000 0.240 6190 M C 1.261 177.601 176.300 0.066 0.000 1.123 6190 M CA 0.779 56.133 55.300 0.089 0.000 1.060 6190 M CB 0.174 32.871 32.600 0.161 0.000 1.535 6190 M HN 0.608 nan 8.290 nan 0.000 0.507 6191 G N 0.950 109.781 108.800 0.052 0.000 2.137 6191 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.237 6191 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.237 6191 G C -0.021 174.885 174.900 0.010 0.000 1.002 6191 G CA -0.282 44.834 45.100 0.026 0.000 0.702 6191 G HN 0.305 nan 8.290 nan 0.000 0.515 6192 V N 1.276 121.200 119.914 0.017 0.000 2.637 6192 V HA 0.268 4.388 4.120 -0.000 0.000 0.296 6192 V C 1.815 177.868 176.094 -0.068 0.000 1.046 6192 V CA 0.907 63.182 62.300 -0.042 0.000 1.066 6192 V CB 1.320 33.100 31.823 -0.071 0.000 0.968 6192 V HN 0.408 nan 8.190 nan 0.000 0.483 6193 M N 3.069 122.616 119.600 -0.088 0.000 2.248 6193 M HA 0.123 4.603 4.480 -0.000 0.000 0.265 6193 M C 0.530 176.761 176.300 -0.114 0.000 1.079 6193 M CA 0.994 56.240 55.300 -0.089 0.000 1.150 6193 M CB 0.013 32.576 32.600 -0.061 0.000 1.366 6193 M HN 0.927 nan 8.290 nan 0.000 0.433 6194 N N -1.599 117.008 118.700 -0.155 0.000 2.961 6194 N HA 0.189 4.929 4.740 -0.000 0.000 0.245 6194 N C -1.998 173.387 175.510 -0.210 0.000 1.404 6194 N CA -0.655 52.309 53.050 -0.142 0.000 0.880 6194 N CB 1.139 39.594 38.487 -0.054 0.000 1.461 6194 N HN -0.108 nan 8.380 nan 0.000 0.510 6195 Y N -0.106 120.159 120.300 -0.059 0.000 2.360 6195 Y HA 0.501 5.051 4.550 -0.000 0.000 0.337 6195 Y C 0.302 176.157 175.900 -0.074 0.000 1.039 6195 Y CA -0.026 58.022 58.100 -0.086 0.000 1.109 6195 Y CB 1.450 39.840 38.460 -0.118 0.000 1.201 6195 Y HN 0.816 nan 8.280 nan 0.000 0.458 6196 E N -0.045 120.234 120.200 0.131 0.000 2.394 6196 E HA 0.454 4.804 4.350 -0.000 0.000 0.266 6196 E C -1.086 175.544 176.600 0.051 0.000 1.065 6196 E CA -0.670 55.773 56.400 0.071 0.000 0.885 6196 E CB 0.987 30.718 29.700 0.051 0.000 1.659 6196 E HN 0.437 nan 8.360 nan 0.000 0.462 6197 M N -0.605 119.020 119.600 0.042 0.000 2.300 6197 M HA 0.324 4.804 4.480 -0.000 0.000 0.313 6197 M C 0.123 176.438 176.300 0.025 0.000 0.988 6197 M CA 0.262 55.581 55.300 0.031 0.000 1.012 6197 M CB 0.648 33.273 32.600 0.041 0.000 1.586 6197 M HN 0.513 nan 8.290 nan 0.000 0.562 6198 E N -0.471 119.742 120.200 0.021 0.000 2.441 6198 E HA 0.057 4.407 4.350 -0.000 0.000 0.212 6198 E C 1.920 178.520 176.600 0.000 0.000 0.840 6198 E CA 0.774 57.182 56.400 0.012 0.000 1.143 6198 E CB 0.255 29.965 29.700 0.016 0.000 1.153 6198 E HN 0.312 nan 8.360 nan 0.000 0.539 6199 S N 1.191 116.892 115.700 0.002 0.000 2.359 6199 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 6199 S C 2.274 176.868 174.600 -0.010 0.000 1.035 6199 S CA 1.153 59.349 58.200 -0.007 0.000 1.018 6199 S CB -0.515 62.682 63.200 -0.006 0.000 0.876 6199 S HN 0.230 nan 8.310 nan 0.000 0.448 6200 A N 2.010 124.829 122.820 -0.003 0.000 1.869 6200 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 6200 A C 2.514 180.107 177.584 0.015 0.000 1.203 6200 A CA 2.616 54.660 52.037 0.011 0.000 0.638 6200 A CB -1.955 17.058 19.000 0.021 0.000 0.831 6200 A HN 0.619 nan 8.150 nan 0.000 0.450 6201 T N -0.050 114.509 114.554 0.009 0.000 2.652 6201 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 6201 T C 1.877 176.510 174.700 -0.112 0.000 1.039 6201 T CA 1.596 63.690 62.100 -0.009 0.000 1.153 6201 T CB -0.504 68.368 68.868 0.007 0.000 0.863 6201 T HN 0.384 nan 8.240 nan 0.000 0.428 6202 L N 1.042 122.201 121.223 -0.107 0.000 1.989 6202 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 6202 L C 2.205 178.986 176.870 -0.147 0.000 1.071 6202 L CA 1.734 56.475 54.840 -0.165 0.000 0.749 6202 L CB -0.694 41.301 42.059 -0.107 0.000 0.890 6202 L HN 0.249 nan 8.230 nan 0.000 0.431 6203 L N -1.253 119.931 121.223 -0.064 0.000 2.093 6203 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 6203 L C 2.311 179.193 176.870 0.021 0.000 1.085 6203 L CA 1.532 56.363 54.840 -0.015 0.000 0.755 6203 L CB -1.159 40.906 42.059 0.010 0.000 0.904 6203 L HN 0.329 nan 8.230 nan 0.000 0.435 6204 T N 0.529 115.095 114.554 0.020 0.000 2.770 6204 T HA -0.171 4.179 4.350 -0.000 0.000 0.263 6204 T C 1.861 176.508 174.700 -0.089 0.000 1.039 6204 T CA 1.681 63.837 62.100 0.094 0.000 1.142 6204 T CB -0.221 68.727 68.868 0.134 0.000 0.868 6204 T HN 0.428 nan 8.240 nan 0.000 0.435 6205 M N 0.285 119.670 119.600 -0.359 0.000 2.296 6205 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 6205 M C 2.085 178.118 176.300 -0.445 0.000 1.064 6205 M CA 1.393 56.215 55.300 -0.797 0.000 1.109 6205 M CB -0.989 30.641 32.600 -1.616 0.000 1.396 6205 M HN 0.178 nan 8.290 nan 0.000 0.430 6206 C N 1.191 120.332 119.300 -0.264 0.000 2.544 6206 C HA 0.247 4.707 4.460 -0.000 0.000 0.280 6206 C C 3.225 178.208 174.990 -0.013 0.000 1.295 6206 C CA 0.876 59.816 59.018 -0.130 0.000 1.702 6206 C CB -0.981 26.708 27.740 -0.086 0.000 2.090 6206 C HN 0.750 nan 8.230 nan 0.000 0.493 6207 A N 0.910 123.766 122.820 0.060 0.000 2.070 6207 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 6207 A C 2.008 179.730 177.584 0.231 0.000 1.159 6207 A CA 1.980 54.125 52.037 0.179 0.000 0.656 6207 A CB -0.502 18.655 19.000 0.262 0.000 0.800 6207 A HN 0.717 nan 8.150 nan 0.000 0.453 6208 S N -2.242 113.487 115.700 0.049 0.000 2.568 6208 S HA 0.284 4.754 4.470 -0.000 0.000 0.232 6208 S C 0.675 175.230 174.600 -0.074 0.000 0.975 6208 S CA -0.093 58.023 58.200 -0.139 0.000 0.949 6208 S CB 0.176 62.999 63.200 -0.629 0.000 0.829 6208 S HN 0.580 nan 8.310 nan 0.000 0.479 6209 Q N 0.317 120.102 119.800 -0.025 0.000 2.057 6209 Q HA 0.326 4.666 4.340 -0.000 0.000 0.216 6209 Q C 0.638 176.652 176.000 0.024 0.000 0.788 6209 Q CA 0.084 55.885 55.803 -0.005 0.000 1.053 6209 Q CB 1.103 29.826 28.738 -0.024 0.000 1.210 6209 Q HN 0.662 nan 8.270 nan 0.000 0.455 6210 G N 1.478 110.302 108.800 0.041 0.000 2.160 6210 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 6210 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 6210 G C -0.149 174.791 174.900 0.065 0.000 1.008 6210 G CA 0.257 45.390 45.100 0.055 0.000 0.724 6210 G HN 0.253 nan 8.290 nan 0.000 0.514 6211 L N -0.433 120.832 121.223 0.071 0.000 2.334 6211 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 6211 L C 0.830 177.771 176.870 0.118 0.000 1.014 6211 L CA -1.134 53.774 54.840 0.114 0.000 0.815 6211 L CB 1.505 43.654 42.059 0.150 0.000 1.268 6211 L HN 0.069 nan 8.230 nan 0.000 0.428 6212 R N 2.125 122.707 120.500 0.137 0.000 2.265 6212 R HA 0.767 5.107 4.340 -0.000 0.000 0.319 6212 R C -0.718 175.671 176.300 0.148 0.000 1.006 6212 R CA -0.520 55.648 56.100 0.114 0.000 0.880 6212 R CB 1.559 31.907 30.300 0.079 0.000 1.077 6212 R HN 0.687 nan 8.270 nan 0.000 0.454 6213 A N 1.683 124.570 122.820 0.113 0.000 2.422 6213 A HA 0.744 5.064 4.320 -0.000 0.000 0.302 6213 A C -0.553 177.071 177.584 0.068 0.000 1.041 6213 A CA -0.683 51.423 52.037 0.114 0.000 0.708 6213 A CB 2.019 21.067 19.000 0.080 0.000 1.257 6213 A HN 0.765 nan 8.150 nan 0.000 0.414 6214 G N 0.186 109.023 108.800 0.062 0.000 2.473 6214 G HA2 0.654 4.614 3.960 -0.000 0.000 0.321 6214 G HA3 0.654 4.614 3.960 -0.000 0.000 0.321 6214 G C -0.950 173.970 174.900 0.033 0.000 1.200 6214 G CA -0.567 44.552 45.100 0.031 0.000 0.963 6214 G HN 0.952 nan 8.290 nan 0.000 0.483 6215 M N 1.872 121.483 119.600 0.019 0.000 2.263 6215 M HA 0.710 5.190 4.480 -0.000 0.000 0.295 6215 M C -1.758 174.550 176.300 0.014 0.000 1.028 6215 M CA -1.048 54.263 55.300 0.018 0.000 0.921 6215 M CB 1.895 34.502 32.600 0.012 0.000 1.601 6215 M HN 0.643 nan 8.290 nan 0.000 0.440 6216 V N 4.167 124.092 119.914 0.018 0.000 2.851 6216 V HA 1.025 5.145 4.120 -0.000 0.000 0.307 6216 V C -1.726 174.383 176.094 0.024 0.000 1.129 6216 V CA 0.166 62.477 62.300 0.018 0.000 0.932 6216 V CB 1.913 33.745 31.823 0.015 0.000 1.024 6216 V HN 1.233 nan 8.190 nan 0.000 0.426 6217 A N 3.878 126.714 122.820 0.027 0.000 2.539 6217 A HA 0.942 5.262 4.320 -0.000 0.000 0.296 6217 A C -0.235 177.371 177.584 0.037 0.000 1.073 6217 A CA -0.172 51.884 52.037 0.031 0.000 0.700 6217 A CB 1.944 20.962 19.000 0.030 0.000 1.296 6217 A HN 1.607 nan 8.150 nan 0.000 0.405 6218 G N 0.002 108.825 108.800 0.038 0.000 2.348 6218 G HA2 0.528 4.488 3.960 -0.000 0.000 0.312 6218 G HA3 0.528 4.488 3.960 -0.000 0.000 0.312 6218 G C -0.485 174.438 174.900 0.038 0.000 1.126 6218 G CA -0.359 44.765 45.100 0.041 0.000 0.865 6218 G HN 0.897 nan 8.290 nan 0.000 0.474 6219 V N 3.352 123.289 119.914 0.037 0.000 2.508 6219 V HA 0.125 4.245 4.120 -0.000 0.000 0.281 6219 V C 1.281 177.394 176.094 0.031 0.000 1.041 6219 V CA 0.217 62.537 62.300 0.033 0.000 1.016 6219 V CB 0.738 32.578 31.823 0.029 0.000 0.984 6219 V HN 0.775 nan 8.190 nan 0.000 0.478 6220 I N 3.141 123.732 120.570 0.035 0.000 4.288 6220 I HA 0.543 4.713 4.170 -0.000 0.000 0.331 6220 I C 0.196 176.335 176.117 0.037 0.000 1.322 6220 I CA 0.207 61.529 61.300 0.037 0.000 1.149 6220 I CB 1.209 39.235 38.000 0.043 0.000 1.112 6220 I HN 0.418 nan 8.210 nan 0.000 0.403 6221 V N 1.586 121.521 119.914 0.035 0.000 2.891 6221 V HA 0.468 4.588 4.120 -0.000 0.000 0.304 6221 V C -1.814 174.293 176.094 0.021 0.000 1.171 6221 V CA -0.523 61.795 62.300 0.030 0.000 0.943 6221 V CB 2.209 34.056 31.823 0.039 0.000 1.037 6221 V HN 0.320 nan 8.190 nan 0.000 0.427 6222 N N 5.221 123.930 118.700 0.015 0.000 2.425 6222 N HA 0.396 5.136 4.740 -0.000 0.000 0.268 6222 N C 0.699 176.219 175.510 0.016 0.000 0.991 6222 N CA -0.508 52.547 53.050 0.008 0.000 0.931 6222 N CB 1.640 40.123 38.487 -0.006 0.000 1.130 6222 N HN 0.620 nan 8.380 nan 0.000 0.493 6223 R N 1.053 121.569 120.500 0.028 0.000 2.235 6223 R HA -0.020 4.319 4.340 -0.000 0.000 0.213 6223 R C 1.333 177.661 176.300 0.046 0.000 1.059 6223 R CA 0.789 56.917 56.100 0.046 0.000 0.997 6223 R CB -0.757 29.599 30.300 0.093 0.000 0.884 6223 R HN 0.674 nan 8.270 nan 0.000 0.462 6224 T N -2.731 111.840 114.554 0.027 0.000 3.160 6224 T HA 0.015 4.365 4.350 -0.000 0.000 0.257 6224 T C 1.411 176.119 174.700 0.013 0.000 1.147 6224 T CA 0.710 62.822 62.100 0.020 0.000 1.064 6224 T CB 0.214 69.083 68.868 0.001 0.000 0.949 6224 T HN 0.222 nan 8.240 nan 0.000 0.526 6225 Q N -0.200 119.608 119.800 0.015 0.000 2.589 6225 Q HA 0.325 4.665 4.340 -0.000 0.000 0.216 6225 Q C 0.404 176.417 176.000 0.022 0.000 0.774 6225 Q CA 0.045 55.855 55.803 0.011 0.000 0.909 6225 Q CB 0.718 29.457 28.738 0.002 0.000 1.283 6225 Q HN 0.485 nan 8.270 nan 0.000 0.597 6226 Q N -0.372 119.444 119.800 0.027 0.000 2.458 6226 Q HA 0.317 4.657 4.340 -0.000 0.000 0.282 6226 Q C -0.116 175.907 176.000 0.038 0.000 1.106 6226 Q CA -0.352 55.472 55.803 0.036 0.000 0.814 6226 Q CB 1.981 30.740 28.738 0.035 0.000 1.425 6226 Q HN 0.067 nan 8.270 nan 0.000 0.437 6227 E N 0.353 120.582 120.200 0.048 0.000 2.127 6227 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 6227 E C 0.528 177.150 176.600 0.037 0.000 0.964 6227 E CA 0.560 56.980 56.400 0.033 0.000 0.832 6227 E CB 0.541 30.280 29.700 0.065 0.000 0.790 6227 E HN 0.458 nan 8.360 nan 0.000 0.465 6228 I N 0.093 120.712 120.570 0.082 0.000 2.465 6228 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 6228 I C -2.825 173.341 176.117 0.081 0.000 1.014 6228 I CA -2.819 58.548 61.300 0.112 0.000 1.093 6228 I CB 1.158 39.255 38.000 0.161 0.000 1.267 6228 I HN -0.241 nan 8.210 nan 0.000 0.431 6229 P HA 0.256 nan 4.420 nan 0.000 0.274 6229 P C -0.601 176.727 177.300 0.047 0.000 1.246 6229 P CA -0.356 62.776 63.100 0.054 0.000 0.795 6229 P CB 0.876 32.607 31.700 0.051 0.000 1.006 6240 H N 2.698 121.764 119.070 -0.006 0.000 2.352 6240 H HA 0.196 4.752 4.556 -0.000 0.000 0.299 6240 H C 2.523 177.846 175.328 -0.009 0.000 1.097 6240 H CA 2.335 58.378 56.048 -0.008 0.000 1.311 6240 H CB -0.368 29.391 29.762 -0.005 0.000 1.377 6240 H HN 0.671 nan 8.280 nan 0.000 0.504 6241 A N 0.185 123.076 122.820 0.119 0.000 1.917 6241 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 6241 A C 2.593 180.193 177.584 0.025 0.000 1.182 6241 A CA 2.071 54.143 52.037 0.060 0.000 0.633 6241 A CB -0.932 18.098 19.000 0.049 0.000 0.819 6241 A HN 0.269 nan 8.150 nan 0.000 0.448 6242 V N -0.247 119.674 119.914 0.011 0.000 2.307 6242 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 6242 V C 2.393 178.470 176.094 -0.027 0.000 1.045 6242 V CA 2.230 64.522 62.300 -0.013 0.000 1.024 6242 V CB -0.730 31.077 31.823 -0.026 0.000 0.651 6242 V HN 0.517 nan 8.190 nan 0.000 0.449 6243 K N -0.221 120.154 120.400 -0.042 0.000 2.097 6243 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 6243 K C 2.061 178.640 176.600 -0.036 0.000 1.049 6243 K CA 1.552 57.806 56.287 -0.055 0.000 0.933 6243 K CB -0.293 32.149 32.500 -0.097 0.000 0.717 6243 K HN 0.420 nan 8.250 nan 0.000 0.442 6244 I N 0.051 120.610 120.570 -0.019 0.000 2.202 6244 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 6244 I C 2.290 178.399 176.117 -0.013 0.000 1.091 6244 I CA 0.816 62.109 61.300 -0.010 0.000 1.368 6244 I CB -0.236 37.769 38.000 0.007 0.000 1.058 6244 I HN -0.031 nan 8.210 nan 0.000 0.410 6245 V N 0.473 120.381 119.914 -0.009 0.000 2.490 6245 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 6245 V C 2.299 178.384 176.094 -0.015 0.000 1.061 6245 V CA 1.636 63.931 62.300 -0.008 0.000 1.064 6245 V CB 0.106 31.929 31.823 -0.000 0.000 0.670 6245 V HN 0.223 nan 8.190 nan 0.000 0.461 6246 V N 0.043 119.945 119.914 -0.021 0.000 2.323 6246 V HA -0.154 3.966 4.120 -0.000 0.000 0.244 6246 V C 2.483 178.562 176.094 -0.025 0.000 1.041 6246 V CA 2.071 64.356 62.300 -0.024 0.000 1.025 6246 V CB -0.648 31.156 31.823 -0.030 0.000 0.656 6246 V HN 0.684 nan 8.190 nan 0.000 0.451 6247 E N 1.282 121.466 120.200 -0.026 0.000 2.110 6247 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 6247 E C 2.035 178.619 176.600 -0.026 0.000 0.988 6247 E CA 1.727 58.111 56.400 -0.026 0.000 0.804 6247 E CB -0.463 29.220 29.700 -0.027 0.000 0.745 6247 E HN 0.484 nan 8.360 nan 0.000 0.458 6248 A N 0.890 123.694 122.820 -0.026 0.000 1.902 6248 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 6248 A C 2.477 180.044 177.584 -0.029 0.000 1.181 6248 A CA 2.040 54.059 52.037 -0.030 0.000 0.623 6248 A CB -1.068 17.915 19.000 -0.028 0.000 0.818 6248 A HN 0.416 nan 8.150 nan 0.000 0.443 6249 A N -0.043 122.761 122.820 -0.025 0.000 1.902 6249 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 6249 A C 2.188 179.756 177.584 -0.026 0.000 1.181 6249 A CA 1.465 53.486 52.037 -0.027 0.000 0.623 6249 A CB -0.525 18.460 19.000 -0.025 0.000 0.818 6249 A HN 0.547 nan 8.150 nan 0.000 0.443 6250 R N -0.707 119.779 120.500 -0.024 0.000 2.170 6250 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 6250 R C 1.944 178.231 176.300 -0.022 0.000 1.145 6250 R CA 1.582 57.669 56.100 -0.022 0.000 0.984 6250 R CB -0.249 30.039 30.300 -0.021 0.000 0.869 6250 R HN 0.503 nan 8.270 nan 0.000 0.455 6251 R N -0.095 120.390 120.500 -0.025 0.000 2.300 6251 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 6251 R C 1.344 177.629 176.300 -0.025 0.000 0.920 6251 R CA 0.237 56.322 56.100 -0.026 0.000 1.046 6251 R CB 0.374 30.655 30.300 -0.031 0.000 0.984 6251 R HN 0.155 nan 8.270 nan 0.000 0.493 6252 L N 0.569 121.776 121.223 -0.026 0.000 2.693 6252 L HA 0.249 4.589 4.340 -0.000 0.000 0.235 6252 L C 0.381 177.237 176.870 -0.024 0.000 1.127 6252 L CA -0.110 54.716 54.840 -0.025 0.000 0.914 6252 L CB 0.288 42.330 42.059 -0.028 0.000 1.193 6252 L HN 0.022 nan 8.230 nan 0.000 0.502 6253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 6253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 6253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 6253 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502