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 2pga_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 XXXXXXHAVK 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 0.000 174.600 174.600 -0.001 0.000 1.055 6004 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 6004 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 6005 D N 1.067 121.471 120.400 0.007 0.000 2.347 6005 D HA 0.154 4.794 4.640 -0.000 0.000 0.213 6005 D C 0.859 177.178 176.300 0.031 0.000 0.985 6005 D CA 1.413 55.423 54.000 0.018 0.000 0.879 6005 D CB 0.408 41.219 40.800 0.017 0.000 0.919 6005 D HN 0.596 nan 8.370 nan 0.000 0.526 6006 V N -3.169 116.763 119.914 0.030 0.000 3.078 6006 V HA 0.377 4.497 4.120 -0.000 0.000 0.311 6006 V C 0.605 176.736 176.094 0.061 0.000 1.138 6006 V CA -1.069 61.267 62.300 0.059 0.000 1.007 6006 V CB 1.676 33.528 31.823 0.048 0.000 1.045 6006 V HN -0.110 nan 8.190 nan 0.000 0.432 6007 F N 0.323 120.224 119.950 -0.080 0.000 2.293 6007 F HA 0.081 4.608 4.527 0.000 0.000 0.297 6007 F C 1.867 177.458 175.800 -0.348 0.000 1.089 6007 F CA 2.086 59.953 58.000 -0.221 0.000 1.377 6007 F CB 0.276 39.105 39.000 -0.286 0.000 1.051 6007 F HN 0.834 nan 8.300 nan 0.000 0.511 6008 H N -1.270 117.703 119.070 -0.163 0.000 2.594 6008 H HA 0.219 4.775 4.556 -0.000 0.000 0.274 6008 H C 1.921 177.154 175.328 -0.158 0.000 0.982 6008 H CA 0.730 56.643 56.048 -0.225 0.000 1.228 6008 H CB -0.003 29.657 29.762 -0.171 0.000 1.447 6008 H HN 0.110 nan 8.280 nan 0.000 0.485 6009 L N -0.284 120.916 121.223 -0.039 0.000 2.313 6009 L HA 0.139 4.479 4.340 -0.000 0.000 0.214 6009 L C 1.182 178.138 176.870 0.143 0.000 1.119 6009 L CA 0.742 55.603 54.840 0.035 0.000 0.809 6009 L CB -0.223 41.824 42.059 -0.020 0.000 0.933 6009 L HN 0.551 nan 8.230 nan 0.000 0.449 6010 G N 1.169 109.962 108.800 -0.011 0.000 2.221 6010 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.265 6010 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.265 6010 G C -0.099 174.839 174.900 0.065 0.000 1.041 6010 G CA 0.106 45.197 45.100 -0.016 0.000 0.807 6010 G HN 0.247 nan 8.290 nan 0.000 0.502 6011 L N -0.035 121.209 121.223 0.035 0.000 2.341 6011 L HA 0.844 5.184 4.340 -0.000 0.000 0.267 6011 L C 0.787 177.667 176.870 0.016 0.000 1.009 6011 L CA -0.558 54.301 54.840 0.032 0.000 0.819 6011 L CB 2.325 44.406 42.059 0.037 0.000 1.323 6011 L HN 0.343 nan 8.230 nan 0.000 0.425 6012 T N -3.291 111.271 114.554 0.012 0.000 2.942 6012 T HA 0.369 4.719 4.350 -0.000 0.000 0.289 6012 T C 0.640 175.345 174.700 0.009 0.000 1.044 6012 T CA -0.931 61.174 62.100 0.009 0.000 1.023 6012 T CB 1.932 70.802 68.868 0.004 0.000 1.123 6012 T HN 0.529 nan 8.240 nan 0.000 0.512 6013 K N 0.616 121.021 120.400 0.009 0.000 2.103 6013 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 6013 K C 2.046 178.647 176.600 0.002 0.000 1.048 6013 K CA 1.704 57.995 56.287 0.007 0.000 0.930 6013 K CB -0.367 32.137 32.500 0.007 0.000 0.716 6013 K HN 0.641 nan 8.250 nan 0.000 0.444 6014 N N 1.616 120.316 118.700 0.001 0.000 2.205 6014 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 6014 N C 1.145 176.652 175.510 -0.005 0.000 1.015 6014 N CA 1.489 54.537 53.050 -0.003 0.000 0.862 6014 N CB -0.061 38.424 38.487 -0.004 0.000 0.986 6014 N HN 0.101 nan 8.380 nan 0.000 0.429 6015 D N -0.361 120.037 120.400 -0.004 0.000 2.218 6015 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 6015 D C 1.519 177.817 176.300 -0.003 0.000 0.976 6015 D CA 0.619 54.615 54.000 -0.007 0.000 0.853 6015 D CB -0.045 40.753 40.800 -0.004 0.000 0.939 6015 D HN 0.307 nan 8.370 nan 0.000 0.481 6016 L N 0.380 121.603 121.223 -0.000 0.000 2.341 6016 L HA 0.002 4.342 4.340 -0.000 0.000 0.214 6016 L C 0.757 177.625 176.870 -0.004 0.000 1.115 6016 L CA 0.542 55.381 54.840 -0.001 0.000 0.820 6016 L CB -0.228 41.828 42.059 -0.005 0.000 0.944 6016 L HN -0.088 nan 8.230 nan 0.000 0.452 6017 Q N -0.041 119.756 119.800 -0.005 0.000 2.453 6017 Q HA -0.262 4.078 4.340 -0.000 0.000 0.294 6017 Q C 1.206 177.202 176.000 -0.007 0.000 1.295 6017 Q CA 0.937 56.737 55.803 -0.005 0.000 0.853 6017 Q CB -2.246 26.490 28.738 -0.004 0.000 1.193 6017 Q HN 0.671 nan 8.270 nan 0.000 0.461 6018 G N -1.951 106.843 108.800 -0.009 0.000 2.159 6018 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 6018 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 6018 G C 0.360 175.249 174.900 -0.019 0.000 0.977 6018 G CA 0.440 45.533 45.100 -0.012 0.000 0.652 6018 G HN 1.242 nan 8.290 nan 0.000 0.531 6019 A N -0.404 122.403 122.820 -0.022 0.000 2.498 6019 A HA 0.577 4.897 4.320 -0.000 0.000 0.239 6019 A C 1.038 178.589 177.584 -0.055 0.000 1.068 6019 A CA 1.334 53.350 52.037 -0.035 0.000 0.766 6019 A CB 0.245 19.227 19.000 -0.031 0.000 1.003 6019 A HN 0.569 nan 8.150 nan 0.000 0.497 6020 Q N 0.641 120.398 119.800 -0.073 0.000 2.164 6020 Q HA 0.327 4.667 4.340 -0.000 0.000 0.226 6020 Q C -0.578 175.322 176.000 -0.168 0.000 0.813 6020 Q CA -0.006 55.737 55.803 -0.100 0.000 0.978 6020 Q CB 0.742 29.440 28.738 -0.067 0.000 1.149 6020 Q HN 0.723 nan 8.270 nan 0.000 0.489 6021 L N 0.587 121.714 121.223 -0.160 0.000 2.386 6021 L HA 0.820 5.160 4.340 -0.000 0.000 0.271 6021 L C -1.730 175.020 176.870 -0.199 0.000 0.993 6021 L CA -0.663 54.056 54.840 -0.203 0.000 0.819 6021 L CB 1.704 43.692 42.059 -0.119 0.000 1.294 6021 L HN -0.087 nan 8.230 nan 0.000 0.414 6022 A N 5.703 128.354 122.820 -0.282 0.000 2.371 6022 A HA 0.715 5.035 4.320 -0.000 0.000 0.311 6022 A C -0.996 176.562 177.584 -0.044 0.000 1.068 6022 A CA -0.543 51.404 52.037 -0.150 0.000 0.744 6022 A CB 1.095 19.997 19.000 -0.163 0.000 1.239 6022 A HN 0.672 nan 8.150 nan 0.000 0.435 6023 I N 2.587 123.163 120.570 0.010 0.000 2.331 6023 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 6023 I C -0.256 175.906 176.117 0.076 0.000 0.998 6023 I CA -0.641 60.682 61.300 0.039 0.000 1.267 6023 I CB 1.750 39.760 38.000 0.016 0.000 1.386 6023 I HN 0.453 nan 8.210 nan 0.000 0.476 6024 V N 5.680 125.654 119.914 0.100 0.000 2.289 6024 V HA 0.505 4.625 4.120 -0.000 0.000 0.272 6024 V C -2.532 173.610 176.094 0.079 0.000 1.026 6024 V CA -1.884 60.487 62.300 0.118 0.000 0.807 6024 V CB 0.465 32.394 31.823 0.176 0.000 1.044 6024 V HN 0.464 nan 8.190 nan 0.000 0.443 6025 P HA 0.310 nan 4.420 nan 0.000 0.276 6025 P C 0.912 178.236 177.300 0.040 0.000 1.261 6025 P CA 0.219 63.340 63.100 0.036 0.000 0.800 6025 P CB 1.895 33.603 31.700 0.014 0.000 1.066 6026 G N -0.194 108.620 108.800 0.022 0.000 2.426 6026 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 6026 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 6026 G C 0.288 175.184 174.900 -0.005 0.000 1.156 6026 G CA 0.407 45.515 45.100 0.013 0.000 0.802 6026 G HN 0.507 nan 8.290 nan 0.000 0.534 6027 D N 0.294 120.688 120.400 -0.010 0.000 2.280 6027 D HA 0.301 4.941 4.640 -0.000 0.000 0.243 6027 D C -1.443 174.847 176.300 -0.016 0.000 1.129 6027 D CA -2.455 51.530 54.000 -0.024 0.000 0.848 6027 D CB 1.962 42.745 40.800 -0.028 0.000 1.107 6027 D HN -0.082 nan 8.370 nan 0.000 0.471 6028 P HA -0.132 nan 4.420 nan 0.000 0.218 6028 P C 0.556 177.855 177.300 -0.002 0.000 1.146 6028 P CA 1.129 64.231 63.100 0.003 0.000 0.813 6028 P CB 0.267 31.961 31.700 -0.010 0.000 0.778 6029 E N -1.033 119.154 120.200 -0.021 0.000 2.427 6029 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 6029 E C 2.008 178.570 176.600 -0.063 0.000 1.028 6029 E CA 0.222 56.602 56.400 -0.033 0.000 0.864 6029 E CB -0.225 29.457 29.700 -0.030 0.000 0.813 6029 E HN 0.265 nan 8.360 nan 0.000 0.514 6030 R N 0.948 121.412 120.500 -0.061 0.000 2.276 6030 R HA -0.004 4.336 4.340 -0.000 0.000 0.196 6030 R C 1.947 178.171 176.300 -0.126 0.000 0.961 6030 R CA 0.149 56.201 56.100 -0.080 0.000 1.024 6030 R CB 0.265 30.535 30.300 -0.049 0.000 0.940 6030 R HN -0.020 nan 8.270 nan 0.000 0.480 6031 V N 1.058 120.894 119.914 -0.129 0.000 2.261 6031 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 6031 V C 2.220 178.027 176.094 -0.478 0.000 1.047 6031 V CA 2.238 64.426 62.300 -0.185 0.000 1.015 6031 V CB -0.512 31.279 31.823 -0.054 0.000 0.642 6031 V HN 0.451 nan 8.190 nan 0.000 0.446 6032 E N 0.351 120.137 120.200 -0.692 0.000 2.130 6032 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 6032 E C 2.185 178.375 176.600 -0.683 0.000 0.998 6032 E CA 1.635 57.333 56.400 -1.169 0.000 0.806 6032 E CB -0.051 29.178 29.700 -0.784 0.000 0.738 6032 E HN 0.634 nan 8.360 nan 0.000 0.459 6033 K N 0.067 120.240 120.400 -0.380 0.000 2.057 6033 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 6033 K C 2.249 178.725 176.600 -0.207 0.000 1.050 6033 K CA 1.365 57.507 56.287 -0.241 0.000 0.935 6033 K CB -0.121 32.288 32.500 -0.153 0.000 0.715 6033 K HN 0.221 nan 8.250 nan 0.000 0.439 6034 I N 1.458 121.909 120.570 -0.198 0.000 2.179 6034 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 6034 I C 2.583 178.612 176.117 -0.146 0.000 1.088 6034 I CA 1.104 62.322 61.300 -0.137 0.000 1.357 6034 I CB -0.420 37.521 38.000 -0.099 0.000 1.051 6034 I HN 0.146 nan 8.210 nan 0.000 0.409 6035 A N 0.738 123.423 122.820 -0.225 0.000 1.978 6035 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 6035 A C 2.467 179.976 177.584 -0.125 0.000 1.170 6035 A CA 1.848 53.791 52.037 -0.156 0.000 0.636 6035 A CB -0.800 18.070 19.000 -0.218 0.000 0.810 6035 A HN 0.454 nan 8.150 nan 0.000 0.448 6036 A N -0.554 122.145 122.820 -0.202 0.000 2.121 6036 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 6036 A C 1.876 179.418 177.584 -0.070 0.000 1.154 6036 A CA 1.098 53.059 52.037 -0.126 0.000 0.679 6036 A CB -0.480 18.426 19.000 -0.156 0.000 0.795 6036 A HN 0.489 nan 8.150 nan 0.000 0.458 6037 L N -1.255 119.924 121.223 -0.072 0.000 2.554 6037 L HA 0.127 4.467 4.340 -0.000 0.000 0.226 6037 L C 0.923 177.773 176.870 -0.032 0.000 1.137 6037 L CA 0.072 54.881 54.840 -0.051 0.000 0.863 6037 L CB -0.353 41.672 42.059 -0.057 0.000 0.985 6037 L HN 0.425 nan 8.230 nan 0.000 0.451 6038 M N -1.505 118.082 119.600 -0.021 0.000 2.852 6038 M HA 0.319 4.799 4.480 -0.000 0.000 0.301 6038 M C -0.690 175.617 176.300 0.012 0.000 1.229 6038 M CA -0.863 54.435 55.300 -0.004 0.000 0.832 6038 M CB 1.490 34.092 32.600 0.003 0.000 1.726 6038 M HN -0.176 nan 8.290 nan 0.000 0.497 6039 D N 1.161 121.571 120.400 0.017 0.000 2.304 6039 D HA 0.165 4.805 4.640 -0.000 0.000 0.247 6039 D C -0.412 175.914 176.300 0.042 0.000 1.089 6039 D CA 0.053 54.067 54.000 0.024 0.000 0.910 6039 D CB 0.716 41.525 40.800 0.015 0.000 1.199 6039 D HN 0.446 nan 8.370 nan 0.000 0.426 6040 K N -0.272 120.156 120.400 0.046 0.000 3.278 6040 K HA -0.137 4.183 4.320 -0.000 0.000 0.270 6040 K C -2.307 174.350 176.600 0.096 0.000 0.955 6040 K CA 0.091 56.412 56.287 0.057 0.000 0.723 6040 K CB -1.302 31.220 32.500 0.036 0.000 1.382 6040 K HN 0.370 nan 8.250 nan 0.000 0.461 6041 P HA 0.102 nan 4.420 nan 0.000 0.271 6041 P C -0.349 177.135 177.300 0.307 0.000 1.226 6041 P CA -0.026 63.252 63.100 0.297 0.000 0.765 6041 P CB 1.223 33.120 31.700 0.328 0.000 0.835 6042 V N 4.181 124.209 119.914 0.191 0.000 2.638 6042 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 6042 V C 0.489 176.195 176.094 -0.647 0.000 1.052 6042 V CA -0.949 61.237 62.300 -0.189 0.000 0.885 6042 V CB 2.096 33.847 31.823 -0.120 0.000 0.999 6042 V HN 0.486 nan 8.190 nan 0.000 0.424 6043 K N 3.214 122.766 120.400 -1.414 0.000 2.401 6043 K HA 0.375 4.695 4.320 -0.000 0.000 0.278 6043 K C 0.156 176.348 176.600 -0.679 0.000 1.018 6043 K CA -0.137 55.150 56.287 -1.666 0.000 0.981 6043 K CB 0.733 32.375 32.500 -1.430 0.000 0.933 6043 K HN 0.641 nan 8.250 nan 0.000 0.477 6044 L N 2.296 123.248 121.223 -0.452 0.000 2.356 6044 L HA 0.361 4.701 4.340 -0.000 0.000 0.193 6044 L C 0.463 177.243 176.870 -0.151 0.000 1.087 6044 L CA 0.077 54.794 54.840 -0.205 0.000 0.817 6044 L CB 0.263 42.272 42.059 -0.085 0.000 1.035 6044 L HN 0.740 nan 8.230 nan 0.000 0.482 6045 A N -0.967 121.780 122.820 -0.122 0.000 2.601 6045 A HA 0.625 4.945 4.320 -0.000 0.000 0.291 6045 A C -1.247 176.257 177.584 -0.133 0.000 1.075 6045 A CA -0.277 51.688 52.037 -0.121 0.000 0.671 6045 A CB 1.741 20.747 19.000 0.010 0.000 1.277 6045 A HN -0.114 nan 8.150 nan 0.000 0.417 6046 S N 0.649 116.150 115.700 -0.332 0.000 2.775 6046 S HA 0.638 5.108 4.470 -0.000 0.000 0.277 6046 S C -1.635 172.687 174.600 -0.463 0.000 1.156 6046 S CA -0.488 57.574 58.200 -0.230 0.000 1.081 6046 S CB 0.224 63.356 63.200 -0.114 0.000 1.054 6046 S HN 0.688 nan 8.310 nan 0.000 0.482 6047 H N 3.511 122.647 119.070 0.110 0.000 2.667 6047 H HA 0.546 5.102 4.556 -0.000 0.000 0.353 6047 H C 0.595 175.995 175.328 0.120 0.000 1.072 6047 H CA -0.502 55.607 56.048 0.101 0.000 1.214 6047 H CB 1.519 31.343 29.762 0.103 0.000 1.600 6047 H HN 0.752 nan 8.280 nan 0.000 0.527 6048 R N 0.474 121.059 120.500 0.143 0.000 3.815 6048 R HA -0.223 4.117 4.340 -0.000 0.000 0.470 6048 R C 1.083 177.295 176.300 -0.146 0.000 0.241 6048 R CA 1.816 57.914 56.100 -0.003 0.000 1.481 6048 R CB -0.698 29.612 30.300 0.018 0.000 0.988 6048 R HN 0.782 nan 8.270 nan 0.000 0.570 6049 E N 1.858 121.792 120.200 -0.444 0.000 2.494 6049 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 6049 E C -0.075 176.264 176.600 -0.435 0.000 1.074 6049 E CA 0.711 56.839 56.400 -0.453 0.000 0.867 6049 E CB 0.027 29.415 29.700 -0.519 0.000 0.924 6049 E HN 0.364 nan 8.360 nan 0.000 0.502 6050 F N 1.762 121.750 119.950 0.063 0.000 2.309 6050 F HA 0.280 4.807 4.527 -0.000 0.000 0.366 6050 F C 0.255 176.101 175.800 0.076 0.000 1.104 6050 F CA -0.649 57.397 58.000 0.077 0.000 1.179 6050 F CB 1.226 40.288 39.000 0.104 0.000 1.437 6050 F HN -0.309 nan 8.300 nan 0.000 0.528 6051 T N 1.979 116.657 114.554 0.206 0.000 2.795 6051 T HA 0.481 4.831 4.350 -0.000 0.000 0.282 6051 T C -0.191 174.653 174.700 0.239 0.000 0.980 6051 T CA -0.675 61.534 62.100 0.182 0.000 1.012 6051 T CB 1.141 70.103 68.868 0.157 0.000 0.936 6051 T HN 0.539 nan 8.240 nan 0.000 0.457 6052 S N 2.218 118.059 115.700 0.236 0.000 2.536 6052 S HA 0.804 5.274 4.470 -0.000 0.000 0.287 6052 S C -1.710 173.057 174.600 0.278 0.000 1.101 6052 S CA -0.992 57.356 58.200 0.247 0.000 0.950 6052 S CB 1.346 64.639 63.200 0.156 0.000 1.056 6052 S HN 0.668 nan 8.310 nan 0.000 0.481 6053 W N 0.880 122.193 121.300 0.022 0.000 3.031 6053 W HA 0.672 5.332 4.660 -0.000 0.000 0.337 6053 W C 0.015 176.539 176.519 0.007 0.000 1.187 6053 W CA -0.750 56.601 57.345 0.010 0.000 1.166 6053 W CB 1.968 31.431 29.460 0.006 0.000 1.437 6053 W HN 0.829 nan 8.180 nan 0.000 0.551 6054 R N 1.523 122.143 120.500 0.199 0.000 2.664 6054 R HA 0.913 5.253 4.340 -0.000 0.000 0.286 6054 R C -0.704 175.691 176.300 0.159 0.000 0.967 6054 R CA -0.354 55.822 56.100 0.127 0.000 0.933 6054 R CB 1.624 31.953 30.300 0.048 0.000 1.146 6054 R HN 0.640 nan 8.270 nan 0.000 0.468 6055 A N 2.062 124.946 122.820 0.108 0.000 2.535 6055 A HA 0.479 4.799 4.320 -0.000 0.000 0.296 6055 A C -1.641 175.972 177.584 0.047 0.000 1.248 6055 A CA -0.693 51.398 52.037 0.090 0.000 0.686 6055 A CB 1.753 20.808 19.000 0.092 0.000 1.315 6055 A HN 0.727 nan 8.150 nan 0.000 0.460 6056 E N -0.388 119.833 120.200 0.035 0.000 2.272 6056 E HA 0.576 4.926 4.350 -0.000 0.000 0.269 6056 E C -2.303 174.303 176.600 0.010 0.000 0.877 6056 E CA -0.595 55.816 56.400 0.018 0.000 0.755 6056 E CB 1.833 31.543 29.700 0.016 0.000 1.192 6056 E HN 0.487 nan 8.360 nan 0.000 0.422 6057 L N 4.449 125.673 121.223 0.002 0.000 2.404 6057 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 6057 L C -1.051 175.815 176.870 -0.006 0.000 0.980 6057 L CA -0.039 54.799 54.840 -0.004 0.000 0.836 6057 L CB 1.343 43.397 42.059 -0.008 0.000 1.238 6057 L HN 0.690 nan 8.230 nan 0.000 0.408 6058 D N 4.375 124.772 120.400 -0.006 0.000 2.751 6058 D HA -0.202 4.438 4.640 -0.000 0.000 0.233 6058 D C 1.131 177.428 176.300 -0.004 0.000 1.149 6058 D CA 1.599 55.596 54.000 -0.006 0.000 0.682 6058 D CB -1.004 39.791 40.800 -0.008 0.000 1.068 6058 D HN 1.215 nan 8.370 nan 0.000 0.429 6059 G N -0.804 107.994 108.800 -0.002 0.000 2.159 6059 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.256 6059 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.256 6059 G C 0.207 175.106 174.900 -0.003 0.000 0.977 6059 G CA 0.682 45.781 45.100 -0.002 0.000 0.652 6059 G HN 0.468 nan 8.290 nan 0.000 0.531 6060 K N 0.318 120.715 120.400 -0.004 0.000 2.270 6060 K HA 0.710 5.030 4.320 -0.000 0.000 0.255 6060 K C 0.438 177.035 176.600 -0.005 0.000 0.936 6060 K CA -0.180 56.103 56.287 -0.007 0.000 0.809 6060 K CB 2.091 34.584 32.500 -0.011 0.000 1.131 6060 K HN 0.484 nan 8.250 nan 0.000 0.427 6061 A N 2.193 125.010 122.820 -0.005 0.000 2.462 6061 A HA 0.349 4.669 4.320 -0.000 0.000 0.243 6061 A C -0.196 177.383 177.584 -0.007 0.000 1.076 6061 A CA -0.112 51.925 52.037 -0.001 0.000 0.773 6061 A CB 0.258 19.256 19.000 -0.002 0.000 1.010 6061 A HN 0.412 nan 8.150 nan 0.000 0.493 6062 V N 3.636 123.551 119.914 0.002 0.000 2.841 6062 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 6062 V C -0.473 175.630 176.094 0.015 0.000 1.090 6062 V CA -0.695 61.602 62.300 -0.006 0.000 0.930 6062 V CB 1.901 33.720 31.823 -0.006 0.000 1.014 6062 V HN 0.747 nan 8.190 nan 0.000 0.425 6063 I N 3.524 124.095 120.570 0.003 0.000 2.437 6063 I HA 0.498 4.668 4.170 -0.000 0.000 0.298 6063 I C -0.260 175.889 176.117 0.054 0.000 0.984 6063 I CA -0.492 60.830 61.300 0.037 0.000 1.214 6063 I CB 1.865 39.877 38.000 0.019 0.000 1.365 6063 I HN 0.278 nan 8.210 nan 0.000 0.469 6064 V N 5.328 125.304 119.914 0.103 0.000 2.448 6064 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 6064 V C -0.359 175.821 176.094 0.142 0.000 1.025 6064 V CA -0.475 61.884 62.300 0.098 0.000 0.859 6064 V CB 2.012 33.875 31.823 0.068 0.000 0.988 6064 V HN 0.902 nan 8.190 nan 0.000 0.431 6065 C N 4.886 124.266 119.300 0.134 0.000 2.642 6065 C HA 0.681 5.141 4.460 -0.000 0.000 0.344 6065 C C 0.454 175.546 174.990 0.170 0.000 1.110 6065 C CA -0.378 58.742 59.018 0.170 0.000 1.298 6065 C CB 1.129 28.971 27.740 0.170 0.000 1.827 6065 C HN 1.066 nan 8.230 nan 0.000 0.467 6066 S N 3.212 119.019 115.700 0.179 0.000 2.592 6066 S HA 0.418 4.888 4.470 -0.000 0.000 0.271 6066 S C 0.904 175.643 174.600 0.231 0.000 1.326 6066 S CA 0.427 58.716 58.200 0.148 0.000 1.024 6066 S CB 1.353 64.605 63.200 0.086 0.000 0.921 6066 S HN 1.077 nan 8.310 nan 0.000 0.527 6067 T N -1.719 112.930 114.554 0.158 0.000 2.990 6067 T HA 0.530 4.880 4.350 -0.000 0.000 0.250 6067 T C 1.161 175.906 174.700 0.075 0.000 1.041 6067 T CA 0.318 62.544 62.100 0.210 0.000 1.010 6067 T CB -0.864 68.080 68.868 0.125 0.000 1.003 6067 T HN 1.972 nan 8.240 nan 0.000 0.499 6068 G N 1.503 110.277 108.800 -0.044 0.000 2.828 6068 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.463 6068 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.463 6068 G C -0.595 174.275 174.900 -0.050 0.000 1.394 6068 G CA -0.542 44.489 45.100 -0.116 0.000 0.862 6068 G HN 0.630 nan 8.290 nan 0.000 0.540 6069 I N 2.119 122.653 120.570 -0.059 0.000 2.416 6069 I HA 0.506 4.676 4.170 -0.000 0.000 0.288 6069 I C 1.136 177.240 176.117 -0.021 0.000 1.051 6069 I CA 1.240 62.520 61.300 -0.033 0.000 1.375 6069 I CB 0.576 38.550 38.000 -0.043 0.000 1.407 6069 I HN 1.961 nan 8.210 nan 0.000 0.516 6070 G N 3.890 112.687 108.800 -0.006 0.000 2.587 6070 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 6070 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 6070 G C 0.511 175.412 174.900 0.002 0.000 1.236 6070 G CA -0.490 44.608 45.100 -0.003 0.000 0.820 6070 G HN 0.906 nan 8.290 nan 0.000 0.645 6071 G N 0.425 109.224 108.800 -0.002 0.000 2.469 6071 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 6071 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 6071 G C 0.105 175.009 174.900 0.006 0.000 1.150 6071 G CA 2.233 47.333 45.100 -0.001 0.000 0.763 6071 G HN 0.676 nan 8.290 nan 0.000 0.561 6072 P HA -0.069 nan 4.420 nan 0.000 0.214 6072 P C 2.324 179.650 177.300 0.043 0.000 1.162 6072 P CA 1.869 64.969 63.100 0.001 0.000 0.879 6072 P CB -0.121 31.573 31.700 -0.010 0.000 0.786 6073 S N -1.726 114.012 115.700 0.063 0.000 2.383 6073 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 6073 S C 1.886 176.620 174.600 0.223 0.000 1.026 6073 S CA 1.866 60.168 58.200 0.170 0.000 0.981 6073 S CB -1.373 61.863 63.200 0.060 0.000 0.818 6073 S HN 0.108 nan 8.310 nan 0.000 0.472 6074 T N 1.825 116.444 114.554 0.109 0.000 2.720 6074 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 6074 T C 2.175 176.875 174.700 0.000 0.000 1.037 6074 T CA 1.809 63.947 62.100 0.063 0.000 1.144 6074 T CB -0.618 68.253 68.868 0.006 0.000 0.864 6074 T HN 0.741 nan 8.240 nan 0.000 0.444 6075 S N 1.046 116.752 115.700 0.011 0.000 2.402 6075 S HA 0.008 4.478 4.470 -0.000 0.000 0.229 6075 S C 2.067 176.668 174.600 0.002 0.000 1.021 6075 S CA 0.631 58.838 58.200 0.012 0.000 0.974 6075 S CB -0.684 62.618 63.200 0.171 0.000 0.800 6075 S HN 0.505 nan 8.310 nan 0.000 0.484 6076 I N 2.135 122.695 120.570 -0.016 0.000 2.202 6076 I HA -0.088 4.082 4.170 -0.000 0.000 0.242 6076 I C 3.119 179.110 176.117 -0.210 0.000 1.091 6076 I CA 1.106 62.331 61.300 -0.126 0.000 1.368 6076 I CB -0.698 37.148 38.000 -0.256 0.000 1.058 6076 I HN 0.421 nan 8.210 nan 0.000 0.410 6077 A N 0.446 123.138 122.820 -0.214 0.000 1.902 6077 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 6077 A C 2.423 179.962 177.584 -0.075 0.000 1.181 6077 A CA 1.799 53.714 52.037 -0.203 0.000 0.623 6077 A CB -0.976 18.038 19.000 0.024 0.000 0.818 6077 A HN 0.243 nan 8.150 nan 0.000 0.443 6078 V N 0.131 119.960 119.914 -0.142 0.000 2.307 6078 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 6078 V C 2.625 178.619 176.094 -0.166 0.000 1.045 6078 V CA 2.441 64.536 62.300 -0.341 0.000 1.024 6078 V CB -0.721 30.706 31.823 -0.660 0.000 0.651 6078 V HN 0.776 nan 8.190 nan 0.000 0.449 6079 E N 0.934 121.071 120.200 -0.106 0.000 2.051 6079 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 6079 E C 2.070 178.693 176.600 0.038 0.000 0.991 6079 E CA 2.011 58.404 56.400 -0.012 0.000 0.799 6079 E CB -0.298 29.427 29.700 0.041 0.000 0.748 6079 E HN 0.685 nan 8.360 nan 0.000 0.449 6080 E N -0.005 120.205 120.200 0.018 0.000 2.107 6080 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 6080 E C 2.309 178.948 176.600 0.066 0.000 0.982 6080 E CA 0.942 57.363 56.400 0.034 0.000 0.809 6080 E CB -0.150 29.549 29.700 -0.002 0.000 0.756 6080 E HN 0.301 nan 8.360 nan 0.000 0.459 6081 L N 0.798 122.086 121.223 0.109 0.000 2.042 6081 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 6081 L C 2.609 179.596 176.870 0.195 0.000 1.076 6081 L CA 1.072 56.017 54.840 0.174 0.000 0.749 6081 L CB -0.484 41.772 42.059 0.328 0.000 0.893 6081 L HN 0.153 nan 8.230 nan 0.000 0.432 6082 A N -0.572 122.411 122.820 0.271 0.000 1.902 6082 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 6082 A C 2.208 179.859 177.584 0.112 0.000 1.181 6082 A CA 1.545 53.717 52.037 0.223 0.000 0.623 6082 A CB -0.485 18.631 19.000 0.193 0.000 0.818 6082 A HN 0.477 nan 8.150 nan 0.000 0.443 6083 Q N -0.638 119.214 119.800 0.088 0.000 2.181 6083 Q HA -0.079 4.261 4.340 -0.000 0.000 0.205 6083 Q C 1.788 177.817 176.000 0.048 0.000 0.980 6083 Q CA 1.276 57.115 55.803 0.060 0.000 0.862 6083 Q CB -0.283 28.488 28.738 0.055 0.000 0.905 6083 Q HN 0.686 nan 8.270 nan 0.000 0.429 6084 L N -1.458 119.795 121.223 0.050 0.000 2.492 6084 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 6084 L C 1.267 178.149 176.870 0.020 0.000 1.132 6084 L CA 0.657 55.516 54.840 0.032 0.000 0.850 6084 L CB 0.217 42.295 42.059 0.031 0.000 0.966 6084 L HN 0.433 nan 8.230 nan 0.000 0.454 6085 G N -0.732 108.082 108.800 0.024 0.000 2.227 6085 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.168 6085 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.168 6085 G C 0.191 175.074 174.900 -0.028 0.000 1.006 6085 G CA -0.737 44.366 45.100 0.004 0.000 0.684 6085 G HN 0.020 nan 8.290 nan 0.000 0.489 6086 I N 1.257 121.797 120.570 -0.050 0.000 2.588 6086 I HA 0.339 4.509 4.170 -0.000 0.000 0.283 6086 I C 1.268 177.279 176.117 -0.176 0.000 1.119 6086 I CA 0.183 61.359 61.300 -0.207 0.000 1.419 6086 I CB 1.067 38.816 38.000 -0.417 0.000 1.394 6086 I HN 0.081 nan 8.210 nan 0.000 0.562 6087 R N 2.877 123.251 120.500 -0.210 0.000 2.469 6087 R HA 0.203 4.543 4.340 -0.000 0.000 0.250 6087 R C -0.225 176.034 176.300 -0.069 0.000 0.909 6087 R CA 0.198 56.261 56.100 -0.061 0.000 1.050 6087 R CB 0.568 30.857 30.300 -0.020 0.000 1.256 6087 R HN 0.533 nan 8.270 nan 0.000 0.550 6088 T N 1.187 115.579 114.554 -0.269 0.000 2.879 6088 T HA 0.581 4.931 4.350 -0.000 0.000 0.290 6088 T C -1.104 173.377 174.700 -0.366 0.000 0.993 6088 T CA -0.295 61.710 62.100 -0.158 0.000 0.975 6088 T CB 1.330 70.143 68.868 -0.093 0.000 0.981 6088 T HN -0.169 nan 8.240 nan 0.000 0.439 6089 F N 2.605 122.552 119.950 -0.005 0.000 2.493 6089 F HA 0.584 5.111 4.527 0.000 0.000 0.329 6089 F C -0.306 175.490 175.800 -0.006 0.000 1.126 6089 F CA -1.071 56.926 58.000 -0.006 0.000 0.937 6089 F CB 1.416 40.408 39.000 -0.013 0.000 1.146 6089 F HN 0.227 nan 8.300 nan 0.000 0.442 6090 L N 4.197 125.500 121.223 0.134 0.000 2.316 6090 L HA 0.514 4.854 4.340 -0.000 0.000 0.280 6090 L C -0.026 176.895 176.870 0.085 0.000 1.006 6090 L CA -0.697 54.193 54.840 0.084 0.000 0.836 6090 L CB 1.628 43.707 42.059 0.034 0.000 1.221 6090 L HN 0.585 nan 8.230 nan 0.000 0.418 6091 R N 4.177 124.723 120.500 0.077 0.000 2.340 6091 R HA 0.429 4.769 4.340 -0.000 0.000 0.300 6091 R C -0.810 175.513 176.300 0.038 0.000 1.069 6091 R CA -0.342 55.794 56.100 0.058 0.000 0.984 6091 R CB 1.029 31.354 30.300 0.043 0.000 1.003 6091 R HN 0.535 nan 8.270 nan 0.000 0.459 6092 I N 4.827 125.417 120.570 0.033 0.000 2.410 6092 I HA 0.509 4.679 4.170 -0.000 0.000 0.286 6092 I C -0.770 175.360 176.117 0.021 0.000 1.009 6092 I CA -0.059 61.254 61.300 0.023 0.000 1.111 6092 I CB 1.073 39.082 38.000 0.015 0.000 1.262 6092 I HN 0.869 nan 8.210 nan 0.000 0.443 6093 G N 4.972 113.785 108.800 0.021 0.000 3.140 6093 G HA2 0.726 4.686 3.960 -0.000 0.000 0.271 6093 G HA3 0.726 4.686 3.960 -0.000 0.000 0.271 6093 G C -0.848 174.065 174.900 0.023 0.000 1.370 6093 G CA -0.387 44.726 45.100 0.021 0.000 1.014 6093 G HN 0.608 nan 8.290 nan 0.000 0.541 6094 T N -3.115 111.454 114.554 0.026 0.000 2.932 6094 T HA 0.751 5.101 4.350 -0.000 0.000 0.289 6094 T C -0.484 174.239 174.700 0.039 0.000 1.039 6094 T CA -0.698 61.421 62.100 0.032 0.000 1.024 6094 T CB 2.090 70.978 68.868 0.033 0.000 1.090 6094 T HN 0.832 nan 8.240 nan 0.000 0.496 6095 T N -0.415 114.163 114.554 0.039 0.000 2.885 6095 T HA 0.638 4.988 4.350 -0.000 0.000 0.322 6095 T C -0.523 174.197 174.700 0.034 0.000 1.387 6095 T CA -0.412 61.711 62.100 0.037 0.000 1.041 6095 T CB 1.298 70.182 68.868 0.025 0.000 1.287 6095 T HN 1.174 nan 8.240 nan 0.000 0.491 6096 G N 1.785 110.608 108.800 0.038 0.000 2.319 6096 G HA2 0.631 4.591 3.960 -0.000 0.000 0.308 6096 G HA3 0.631 4.591 3.960 -0.000 0.000 0.308 6096 G C 0.098 175.014 174.900 0.025 0.000 1.117 6096 G CA -0.173 44.947 45.100 0.033 0.000 0.903 6096 G HN 0.989 nan 8.290 nan 0.000 0.436 6097 A N 2.255 125.073 122.820 -0.005 0.000 2.407 6097 A HA 0.519 4.839 4.320 -0.000 0.000 0.248 6097 A C 1.104 178.661 177.584 -0.045 0.000 1.082 6097 A CA -0.368 51.643 52.037 -0.044 0.000 0.785 6097 A CB 0.242 19.206 19.000 -0.060 0.000 1.020 6097 A HN 1.292 nan 8.150 nan 0.000 0.489 6098 I N -2.100 118.417 120.570 -0.088 0.000 4.081 6098 I HA 0.254 4.424 4.170 -0.000 0.000 0.333 6098 I C -0.254 175.817 176.117 -0.076 0.000 1.413 6098 I CA -0.306 60.949 61.300 -0.076 0.000 1.110 6098 I CB 0.212 38.130 38.000 -0.135 0.000 1.082 6098 I HN 0.340 nan 8.210 nan 0.000 0.402 6099 Q N 2.727 122.468 119.800 -0.098 0.000 2.282 6099 Q HA 0.400 4.740 4.340 -0.000 0.000 0.260 6099 Q C -1.856 174.057 176.000 -0.144 0.000 0.964 6099 Q CA -2.088 53.652 55.803 -0.106 0.000 0.880 6099 Q CB 1.985 30.657 28.738 -0.110 0.000 1.286 6099 Q HN 0.036 nan 8.270 nan 0.000 0.445 6100 P HA -0.125 nan 4.420 nan 0.000 0.220 6100 P C 0.351 177.394 177.300 -0.428 0.000 1.148 6100 P CA 1.390 64.275 63.100 -0.359 0.000 0.803 6100 P CB 0.408 31.790 31.700 -0.530 0.000 0.782 6101 H N -1.031 118.010 119.070 -0.047 0.000 2.520 6101 H HA 0.305 4.861 4.556 -0.000 0.000 0.284 6101 H C 0.898 176.194 175.328 -0.053 0.000 1.037 6101 H CA -0.359 55.669 56.048 -0.033 0.000 1.168 6101 H CB 0.178 29.934 29.762 -0.011 0.000 1.497 6101 H HN 0.212 nan 8.280 nan 0.000 0.547 6102 I N 2.078 122.613 120.570 -0.059 0.000 2.371 6102 I HA -0.004 4.166 4.170 -0.000 0.000 0.290 6102 I C 0.583 176.692 176.117 -0.013 0.000 1.028 6102 I CA -0.353 60.889 61.300 -0.097 0.000 1.345 6102 I CB 0.680 38.547 38.000 -0.221 0.000 1.407 6102 I HN 0.003 nan 8.210 nan 0.000 0.501 6103 N N 5.314 124.038 118.700 0.041 0.000 2.498 6103 N HA 0.213 4.953 4.740 -0.000 0.000 0.287 6103 N C -0.578 174.943 175.510 0.019 0.000 1.097 6103 N CA -0.400 52.669 53.050 0.030 0.000 0.973 6103 N CB 1.405 39.916 38.487 0.039 0.000 1.153 6103 N HN 0.268 nan 8.380 nan 0.000 0.472 6104 V N 2.768 122.688 119.914 0.010 0.000 2.720 6104 V HA 0.187 4.307 4.120 -0.000 0.000 0.307 6104 V C 1.619 177.713 176.094 0.000 0.000 1.071 6104 V CA 1.806 64.111 62.300 0.008 0.000 1.199 6104 V CB 0.158 31.986 31.823 0.009 0.000 0.900 6104 V HN 1.028 nan 8.190 nan 0.000 0.494 6105 G N 3.731 112.530 108.800 -0.001 0.000 2.258 6105 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.233 6105 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.233 6105 G C 0.004 174.880 174.900 -0.041 0.000 1.006 6105 G CA 0.063 45.148 45.100 -0.026 0.000 0.620 6105 G HN 0.685 nan 8.290 nan 0.000 0.511 6106 D N 0.446 120.845 120.400 -0.002 0.000 2.400 6106 D HA 0.419 5.059 4.640 -0.000 0.000 0.238 6106 D C 0.617 176.943 176.300 0.044 0.000 1.157 6106 D CA 0.220 54.239 54.000 0.032 0.000 0.889 6106 D CB 1.488 42.374 40.800 0.143 0.000 1.199 6106 D HN 0.237 nan 8.370 nan 0.000 0.436 6107 V N 2.908 122.848 119.914 0.044 0.000 2.394 6107 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 6107 V C 0.162 176.301 176.094 0.074 0.000 1.031 6107 V CA -0.657 61.672 62.300 0.049 0.000 0.881 6107 V CB 1.016 32.862 31.823 0.039 0.000 0.982 6107 V HN 0.265 nan 8.190 nan 0.000 0.451 6108 L N 5.712 126.975 121.223 0.067 0.000 2.305 6108 L HA 0.596 4.936 4.340 -0.000 0.000 0.284 6108 L C -0.596 176.297 176.870 0.038 0.000 1.013 6108 L CA -0.728 54.154 54.840 0.069 0.000 0.819 6108 L CB 1.853 43.942 42.059 0.050 0.000 1.227 6108 L HN 0.326 nan 8.230 nan 0.000 0.417 6109 V N 2.074 122.008 119.914 0.034 0.000 2.394 6109 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 6109 V C 0.341 176.442 176.094 0.013 0.000 1.031 6109 V CA -0.340 61.969 62.300 0.015 0.000 0.881 6109 V CB 1.772 33.596 31.823 0.002 0.000 0.982 6109 V HN 0.728 nan 8.190 nan 0.000 0.451 6110 T N 3.395 117.953 114.554 0.006 0.000 2.743 6110 T HA 0.205 4.555 4.350 -0.000 0.000 0.293 6110 T C 1.322 176.024 174.700 0.004 0.000 0.945 6110 T CA 0.161 62.261 62.100 -0.000 0.000 1.030 6110 T CB 1.249 70.113 68.868 -0.006 0.000 0.912 6110 T HN 0.966 nan 8.240 nan 0.000 0.483 6111 T N 0.764 115.322 114.554 0.006 0.000 2.896 6111 T HA 0.443 4.793 4.350 -0.000 0.000 0.263 6111 T C 0.734 175.442 174.700 0.013 0.000 1.050 6111 T CA 0.341 62.450 62.100 0.016 0.000 1.140 6111 T CB 0.126 69.009 68.868 0.024 0.000 0.877 6111 T HN 0.776 nan 8.240 nan 0.000 0.457 6112 A N -0.116 122.702 122.820 -0.003 0.000 2.586 6112 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 6112 A C -1.043 176.522 177.584 -0.031 0.000 1.062 6112 A CA -0.851 51.180 52.037 -0.009 0.000 0.666 6112 A CB 1.173 20.166 19.000 -0.011 0.000 1.281 6112 A HN 0.213 nan 8.150 nan 0.000 0.421 6113 S N -0.231 115.449 115.700 -0.034 0.000 2.513 6113 S HA 0.589 5.059 4.470 -0.000 0.000 0.299 6113 S C -0.345 174.200 174.600 -0.091 0.000 1.087 6113 S CA -0.566 57.594 58.200 -0.066 0.000 1.012 6113 S CB 1.689 64.861 63.200 -0.046 0.000 1.044 6113 S HN 0.933 nan 8.310 nan 0.000 0.485 6114 V N 3.400 123.207 119.914 -0.178 0.000 2.479 6114 V HA 0.145 4.265 4.120 -0.000 0.000 0.281 6114 V C 0.652 176.655 176.094 -0.152 0.000 1.031 6114 V CA 0.041 62.194 62.300 -0.246 0.000 1.038 6114 V CB -0.282 31.190 31.823 -0.586 0.000 0.981 6114 V HN 0.697 nan 8.190 nan 0.000 0.478 6115 R N 5.419 125.882 120.500 -0.062 0.000 2.893 6115 R HA 0.282 4.622 4.340 -0.000 0.000 0.243 6115 R C 0.107 176.433 176.300 0.045 0.000 1.481 6115 R CA -0.097 56.008 56.100 0.008 0.000 1.250 6115 R CB -0.037 30.294 30.300 0.052 0.000 1.213 6115 R HN 0.675 nan 8.270 nan 0.000 0.609 6116 L N 2.126 123.377 121.223 0.046 0.000 2.851 6116 L HA 0.122 4.462 4.340 -0.000 0.000 0.237 6116 L C 0.261 177.207 176.870 0.126 0.000 1.257 6116 L CA -0.219 54.712 54.840 0.153 0.000 1.061 6116 L CB -0.696 41.483 42.059 0.199 0.000 1.372 6116 L HN 0.509 nan 8.230 nan 0.000 0.493 6117 D N -1.461 118.991 120.400 0.088 0.000 2.553 6117 D HA 0.315 4.955 4.640 -0.000 0.000 0.249 6117 D C 0.728 177.073 176.300 0.075 0.000 1.062 6117 D CA -0.380 53.658 54.000 0.064 0.000 1.085 6117 D CB 1.858 42.679 40.800 0.036 0.000 1.350 6117 D HN -0.078 nan 8.370 nan 0.000 0.575 6118 G N -1.164 107.662 108.800 0.044 0.000 2.724 6118 G HA2 0.242 4.202 3.960 -0.000 0.000 0.205 6118 G HA3 0.242 4.202 3.960 -0.000 0.000 0.205 6118 G C 1.263 176.153 174.900 -0.016 0.000 1.112 6118 G CA 0.587 45.715 45.100 0.048 0.000 0.793 6118 G HN 0.611 nan 8.290 nan 0.000 0.526 6119 A N 1.780 124.544 122.820 -0.093 0.000 1.969 6119 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 6119 A C 2.674 180.329 177.584 0.119 0.000 1.169 6119 A CA 2.313 54.247 52.037 -0.173 0.000 0.635 6119 A CB -0.677 18.284 19.000 -0.065 0.000 0.810 6119 A HN 0.697 nan 8.150 nan 0.000 0.445 6120 S N 0.396 116.190 115.700 0.157 0.000 2.383 6120 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 6120 S C 1.704 176.453 174.600 0.247 0.000 1.030 6120 S CA 1.591 59.929 58.200 0.230 0.000 1.002 6120 S CB -0.792 62.489 63.200 0.136 0.000 0.829 6120 S HN 0.450 nan 8.310 nan 0.000 0.467 6121 L N 0.802 122.147 121.223 0.202 0.000 2.362 6121 L HA 0.009 4.349 4.340 -0.000 0.000 0.219 6121 L C 2.347 179.307 176.870 0.150 0.000 1.134 6121 L CA 1.030 55.975 54.840 0.175 0.000 0.807 6121 L CB -0.712 41.448 42.059 0.169 0.000 0.927 6121 L HN 0.493 nan 8.230 nan 0.000 0.447 6122 H N -1.729 117.272 119.070 -0.116 0.000 2.555 6122 H HA 0.010 4.566 4.556 0.000 0.000 0.269 6122 H C 1.303 176.253 175.328 -0.630 0.000 0.988 6122 H CA 0.637 56.462 56.048 -0.371 0.000 1.178 6122 H CB 0.375 29.851 29.762 -0.477 0.000 1.373 6122 H HN 0.364 nan 8.280 nan 0.000 0.588 6123 F N -0.329 119.645 119.950 0.040 0.000 2.667 6123 F HA 0.425 4.952 4.527 0.000 0.000 0.288 6123 F C 0.866 176.580 175.800 -0.144 0.000 1.086 6123 F CA -0.035 57.929 58.000 -0.060 0.000 1.297 6123 F CB 1.012 39.961 39.000 -0.086 0.000 1.059 6123 F HN -0.044 nan 8.300 nan 0.000 0.624 6124 A N 0.514 123.358 122.820 0.040 0.000 2.574 6124 A HA 0.614 4.934 4.320 -0.000 0.000 0.297 6124 A C -2.768 174.839 177.584 0.038 0.000 1.062 6124 A CA -1.451 50.540 52.037 -0.075 0.000 0.686 6124 A CB 0.687 19.467 19.000 -0.366 0.000 1.285 6124 A HN -0.170 nan 8.150 nan 0.000 0.403 6125 P HA 0.093 nan 4.420 nan 0.000 0.271 6125 P C 0.794 178.173 177.300 0.131 0.000 1.233 6125 P CA -0.190 62.960 63.100 0.083 0.000 0.789 6125 P CB 0.468 32.213 31.700 0.076 0.000 0.951 6126 M N 1.084 120.749 119.600 0.109 0.000 2.279 6126 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 6126 M C 1.514 177.890 176.300 0.126 0.000 1.062 6126 M CA 1.889 57.259 55.300 0.116 0.000 1.099 6126 M CB -1.187 31.466 32.600 0.089 0.000 1.394 6126 M HN 0.282 nan 8.290 nan 0.000 0.426 6127 E N -0.706 119.567 120.200 0.121 0.000 2.204 6127 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 6127 E C 0.214 176.887 176.600 0.121 0.000 0.990 6127 E CA 0.611 57.072 56.400 0.102 0.000 0.821 6127 E CB -0.458 29.294 29.700 0.087 0.000 0.750 6127 E HN 0.490 nan 8.360 nan 0.000 0.477 6128 F N 2.406 122.377 119.950 0.035 0.000 2.495 6128 F HA 0.152 4.679 4.527 -0.000 0.000 0.365 6128 F C -1.980 173.838 175.800 0.029 0.000 1.090 6128 F CA -2.867 55.153 58.000 0.034 0.000 1.235 6128 F CB 0.570 39.596 39.000 0.043 0.000 1.119 6128 F HN -0.124 nan 8.300 nan 0.000 0.562 6129 P HA 0.145 nan 4.420 nan 0.000 0.281 6129 P C -1.191 176.140 177.300 0.052 0.000 1.252 6129 P CA -0.386 62.644 63.100 -0.116 0.000 0.778 6129 P CB 1.187 32.753 31.700 -0.223 0.000 0.895 6130 A N 4.029 126.904 122.820 0.091 0.000 3.048 6130 A HA 0.247 4.567 4.320 -0.000 0.000 0.264 6130 A C 0.325 177.940 177.584 0.051 0.000 1.796 6130 A CA -0.294 51.804 52.037 0.103 0.000 1.445 6130 A CB -1.011 18.027 19.000 0.062 0.000 1.074 6130 A HN 0.475 nan 8.150 nan 0.000 0.621 6131 V N 1.660 121.606 119.914 0.053 0.000 2.539 6131 V HA 0.707 4.827 4.120 -0.000 0.000 0.292 6131 V C 0.625 176.749 176.094 0.051 0.000 1.045 6131 V CA -0.214 62.102 62.300 0.027 0.000 0.945 6131 V CB 1.401 33.218 31.823 -0.010 0.000 0.993 6131 V HN 0.891 nan 8.190 nan 0.000 0.464 6132 A N 4.202 127.048 122.820 0.044 0.000 2.332 6132 A HA 0.408 4.728 4.320 -0.000 0.000 0.258 6132 A C 0.047 177.675 177.584 0.074 0.000 1.087 6132 A CA -0.211 51.856 52.037 0.051 0.000 0.802 6132 A CB 0.194 19.214 19.000 0.033 0.000 1.042 6132 A HN 1.045 nan 8.150 nan 0.000 0.489 6133 D N 0.099 120.546 120.400 0.077 0.000 2.424 6133 D HA 0.089 4.729 4.640 -0.000 0.000 0.244 6133 D C 0.663 177.032 176.300 0.116 0.000 1.134 6133 D CA 0.022 54.084 54.000 0.102 0.000 0.881 6133 D CB 0.162 41.014 40.800 0.087 0.000 1.191 6133 D HN 0.385 nan 8.370 nan 0.000 0.445 6134 F N 3.967 123.926 119.950 0.016 0.000 2.134 6134 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 6134 F C 2.034 177.841 175.800 0.011 0.000 1.097 6134 F CA 1.697 59.703 58.000 0.011 0.000 1.264 6134 F CB -0.377 38.627 39.000 0.007 0.000 1.001 6134 F HN 0.492 nan 8.300 nan 0.000 0.479 6135 A N -0.504 122.318 122.820 0.003 0.000 1.902 6135 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 6135 A C 2.350 179.854 177.584 -0.134 0.000 1.181 6135 A CA 1.797 53.777 52.037 -0.096 0.000 0.623 6135 A CB -1.656 17.360 19.000 0.027 0.000 0.818 6135 A HN 0.568 nan 8.150 nan 0.000 0.443 6136 C N -1.130 118.130 119.300 -0.067 0.000 2.432 6136 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 6136 C C 3.040 177.975 174.990 -0.091 0.000 1.249 6136 C CA 1.496 60.482 59.018 -0.054 0.000 1.725 6136 C CB -1.529 26.209 27.740 -0.004 0.000 2.028 6136 C HN 0.646 nan 8.230 nan 0.000 0.477 6137 T N 0.633 115.117 114.554 -0.116 0.000 2.746 6137 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 6137 T C 1.792 176.374 174.700 -0.198 0.000 1.039 6137 T CA 2.175 64.199 62.100 -0.127 0.000 1.142 6137 T CB -0.548 68.259 68.868 -0.101 0.000 0.866 6137 T HN 0.593 nan 8.240 nan 0.000 0.444 6138 T N 2.013 116.352 114.554 -0.357 0.000 2.708 6138 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 6138 T C 2.429 177.013 174.700 -0.193 0.000 1.037 6138 T CA 1.227 63.108 62.100 -0.364 0.000 1.146 6138 T CB -0.630 67.888 68.868 -0.583 0.000 0.865 6138 T HN 0.442 nan 8.240 nan 0.000 0.435 6139 A N 1.192 123.918 122.820 -0.157 0.000 1.908 6139 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 6139 A C 2.320 179.862 177.584 -0.070 0.000 1.181 6139 A CA 1.390 53.371 52.037 -0.093 0.000 0.627 6139 A CB -0.934 18.024 19.000 -0.071 0.000 0.818 6139 A HN 0.483 nan 8.150 nan 0.000 0.445 6140 L N -0.738 120.444 121.223 -0.069 0.000 2.046 6140 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 6140 L C 2.548 179.392 176.870 -0.045 0.000 1.077 6140 L CA 1.156 55.968 54.840 -0.046 0.000 0.747 6140 L CB -0.534 41.503 42.059 -0.036 0.000 0.896 6140 L HN 0.258 nan 8.230 nan 0.000 0.432 6141 V N -0.406 119.471 119.914 -0.062 0.000 2.358 6141 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 6141 V C 2.389 178.455 176.094 -0.047 0.000 1.047 6141 V CA 1.815 64.084 62.300 -0.053 0.000 1.035 6141 V CB -0.353 31.432 31.823 -0.064 0.000 0.658 6141 V HN 0.390 nan 8.190 nan 0.000 0.452 6142 E N -0.003 120.163 120.200 -0.057 0.000 2.106 6142 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 6142 E C 2.215 178.795 176.600 -0.033 0.000 0.984 6142 E CA 1.281 57.654 56.400 -0.045 0.000 0.806 6142 E CB -0.330 29.340 29.700 -0.052 0.000 0.750 6142 E HN 0.579 nan 8.360 nan 0.000 0.458 6143 A N 0.552 123.352 122.820 -0.034 0.000 1.930 6143 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 6143 A C 2.320 179.894 177.584 -0.017 0.000 1.175 6143 A CA 1.528 53.550 52.037 -0.026 0.000 0.627 6143 A CB -0.639 18.345 19.000 -0.027 0.000 0.815 6143 A HN 0.335 nan 8.150 nan 0.000 0.443 6144 A N 0.482 123.294 122.820 -0.014 0.000 1.930 6144 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 6144 A C 2.149 179.731 177.584 -0.003 0.000 1.175 6144 A CA 1.895 53.931 52.037 -0.001 0.000 0.627 6144 A CB -0.447 18.549 19.000 -0.006 0.000 0.815 6144 A HN 0.595 nan 8.150 nan 0.000 0.443 6145 K N 0.677 121.067 120.400 -0.016 0.000 2.097 6145 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 6145 K C 2.047 178.640 176.600 -0.011 0.000 1.049 6145 K CA 2.118 58.395 56.287 -0.017 0.000 0.933 6145 K CB -0.342 32.145 32.500 -0.021 0.000 0.717 6145 K HN 0.523 nan 8.250 nan 0.000 0.442 6146 S N 1.162 116.854 115.700 -0.012 0.000 2.453 6146 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 6146 S C 2.003 176.598 174.600 -0.009 0.000 1.005 6146 S CA 0.771 58.964 58.200 -0.012 0.000 0.949 6146 S CB -0.584 62.606 63.200 -0.017 0.000 0.774 6146 S HN 0.598 nan 8.310 nan 0.000 0.510 6147 I N -2.505 118.063 120.570 -0.003 0.000 4.018 6147 I HA 0.538 4.708 4.170 -0.000 0.000 0.337 6147 I C 1.237 177.375 176.117 0.034 0.000 1.327 6147 I CA 0.174 61.475 61.300 0.002 0.000 1.100 6147 I CB -0.261 37.727 38.000 -0.021 0.000 1.025 6147 I HN 0.305 nan 8.210 nan 0.000 0.396 6148 G N 2.109 110.926 108.800 0.027 0.000 2.221 6148 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.265 6148 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.265 6148 G C 0.380 175.309 174.900 0.048 0.000 1.041 6148 G CA 0.206 45.322 45.100 0.027 0.000 0.807 6148 G HN 0.963 nan 8.290 nan 0.000 0.502 6149 A N -0.284 122.581 122.820 0.075 0.000 2.386 6149 A HA 0.694 5.014 4.320 -0.000 0.000 0.248 6149 A C 0.936 178.497 177.584 -0.040 0.000 1.082 6149 A CA 0.785 52.858 52.037 0.060 0.000 0.789 6149 A CB 0.398 19.506 19.000 0.179 0.000 1.025 6149 A HN 0.854 nan 8.150 nan 0.000 0.490 6150 T N 2.712 117.208 114.554 -0.096 0.000 2.769 6150 T HA 0.420 4.770 4.350 -0.000 0.000 0.293 6150 T C 0.043 174.647 174.700 -0.160 0.000 0.931 6150 T CA 0.614 62.636 62.100 -0.130 0.000 1.139 6150 T CB -0.147 68.662 68.868 -0.099 0.000 0.881 6150 T HN 0.640 nan 8.240 nan 0.000 0.532 6151 T N 4.353 118.749 114.554 -0.263 0.000 2.893 6151 T HA 0.426 4.776 4.350 -0.000 0.000 0.293 6151 T C -0.765 173.686 174.700 -0.416 0.000 1.027 6151 T CA -0.812 61.160 62.100 -0.214 0.000 0.988 6151 T CB 1.203 70.010 68.868 -0.102 0.000 1.043 6151 T HN 0.552 nan 8.240 nan 0.000 0.461 6152 H N 0.522 119.590 119.070 -0.005 0.000 2.637 6152 H HA 0.645 5.201 4.556 0.000 0.000 0.363 6152 H C -1.104 174.221 175.328 -0.006 0.000 1.131 6152 H CA -0.614 55.432 56.048 -0.003 0.000 1.183 6152 H CB 2.144 31.905 29.762 -0.002 0.000 1.637 6152 H HN 0.267 nan 8.280 nan 0.000 0.531 6153 V N 1.694 121.671 119.914 0.106 0.000 2.487 6153 V HA 0.694 4.814 4.120 -0.000 0.000 0.298 6153 V C 0.404 176.528 176.094 0.050 0.000 1.028 6153 V CA -0.181 62.151 62.300 0.054 0.000 0.860 6153 V CB 1.464 33.302 31.823 0.026 0.000 0.991 6153 V HN 1.108 nan 8.190 nan 0.000 0.427 6154 G N 3.235 112.053 108.800 0.030 0.000 2.399 6154 G HA2 0.394 4.354 3.960 -0.000 0.000 0.256 6154 G HA3 0.394 4.354 3.960 -0.000 0.000 0.256 6154 G C -1.462 173.435 174.900 -0.005 0.000 1.236 6154 G CA -0.369 44.741 45.100 0.016 0.000 0.914 6154 G HN 0.517 nan 8.290 nan 0.000 0.482 6155 V N 0.675 120.576 119.914 -0.021 0.000 2.567 6155 V HA 0.670 4.790 4.120 -0.000 0.000 0.289 6155 V C 0.226 176.271 176.094 -0.082 0.000 1.049 6155 V CA -0.056 62.215 62.300 -0.048 0.000 0.969 6155 V CB 1.430 33.223 31.823 -0.050 0.000 0.995 6155 V HN 0.779 nan 8.190 nan 0.000 0.471 6156 T N 3.353 117.845 114.554 -0.102 0.000 2.848 6156 T HA 0.628 4.978 4.350 -0.000 0.000 0.285 6156 T C -0.135 174.449 174.700 -0.194 0.000 0.995 6156 T CA -0.283 61.739 62.100 -0.129 0.000 0.970 6156 T CB 1.596 70.420 68.868 -0.073 0.000 0.976 6156 T HN 0.919 nan 8.240 nan 0.000 0.441 6157 A N 2.421 125.072 122.820 -0.282 0.000 2.309 6157 A HA 0.613 4.933 4.320 -0.000 0.000 0.290 6157 A C 0.405 177.939 177.584 -0.084 0.000 1.206 6157 A CA -0.386 51.449 52.037 -0.336 0.000 0.850 6157 A CB 0.310 18.947 19.000 -0.605 0.000 1.118 6157 A HN 0.631 nan 8.150 nan 0.000 0.523 6158 S N 2.044 117.696 115.700 -0.081 0.000 2.498 6158 S HA 0.519 4.989 4.470 -0.000 0.000 0.324 6158 S C -0.152 174.443 174.600 -0.008 0.000 1.071 6158 S CA -0.346 57.841 58.200 -0.021 0.000 1.113 6158 S CB 0.438 63.621 63.200 -0.028 0.000 0.976 6158 S HN 0.956 nan 8.310 nan 0.000 0.462 6159 S N 3.210 118.900 115.700 -0.016 0.000 2.509 6159 S HA 0.356 4.826 4.470 -0.000 0.000 0.297 6159 S C 0.444 175.007 174.600 -0.061 0.000 1.118 6159 S CA -0.609 57.554 58.200 -0.061 0.000 1.074 6159 S CB 1.141 64.228 63.200 -0.189 0.000 1.038 6159 S HN 0.709 nan 8.310 nan 0.000 0.498 6160 D N 1.990 122.364 120.400 -0.043 0.000 2.371 6160 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 6160 D C 0.769 177.042 176.300 -0.045 0.000 0.986 6160 D CA 0.853 54.838 54.000 -0.026 0.000 0.899 6160 D CB 0.142 40.947 40.800 0.009 0.000 0.902 6160 D HN 0.711 nan 8.370 nan 0.000 0.530 6161 T N -4.099 110.389 114.554 -0.109 0.000 2.916 6161 T HA 0.297 4.647 4.350 -0.000 0.000 0.292 6161 T C 0.546 175.165 174.700 -0.135 0.000 1.055 6161 T CA -0.897 61.152 62.100 -0.086 0.000 1.009 6161 T CB 1.253 70.063 68.868 -0.097 0.000 1.118 6161 T HN -0.118 nan 8.240 nan 0.000 0.497 6162 F N 0.086 119.887 119.950 -0.249 0.000 2.335 6162 F HA 0.179 4.706 4.527 0.000 0.000 0.296 6162 F C 1.085 176.540 175.800 -0.574 0.000 1.091 6162 F CA 0.779 58.513 58.000 -0.444 0.000 1.399 6162 F CB -0.040 38.628 39.000 -0.554 0.000 1.067 6162 F HN 0.694 nan 8.300 nan 0.000 0.520 6163 Y N 0.600 120.862 120.300 -0.063 0.000 2.380 6163 Y HA 0.122 4.672 4.550 -0.000 0.000 0.255 6163 Y C -0.483 175.243 175.900 -0.292 0.000 1.051 6163 Y CA 0.427 58.443 58.100 -0.139 0.000 1.097 6163 Y CB -1.862 36.599 38.460 0.002 0.000 1.034 6163 Y HN -0.217 nan 8.280 nan 0.000 0.479 6164 P HA -0.072 nan 4.420 nan 0.000 0.219 6164 P C 1.414 178.431 177.300 -0.471 0.000 1.150 6164 P CA 2.077 65.042 63.100 -0.226 0.000 0.814 6164 P CB -0.181 31.453 31.700 -0.109 0.000 0.787 6165 G N 0.042 108.428 108.800 -0.691 0.000 2.559 6165 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 6165 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 6165 G C 1.292 175.718 174.900 -0.790 0.000 1.126 6165 G CA 0.244 44.602 45.100 -1.237 0.000 0.778 6165 G HN 0.377 nan 8.290 nan 0.000 0.543 6166 Q N -0.501 118.856 119.800 -0.737 0.000 2.189 6166 Q HA 0.212 4.552 4.340 -0.000 0.000 0.221 6166 Q C 0.010 175.686 176.000 -0.540 0.000 0.848 6166 Q CA -0.295 54.853 55.803 -1.092 0.000 1.007 6166 Q CB 0.477 28.378 28.738 -1.394 0.000 1.116 6166 Q HN 0.581 nan 8.270 nan 0.000 0.481 6167 E N 1.749 121.756 120.200 -0.321 0.000 2.238 6167 E HA -0.242 4.107 4.350 -0.000 0.000 0.219 6167 E C -0.892 175.532 176.600 -0.293 0.000 1.275 6167 E CA 0.162 56.412 56.400 -0.249 0.000 0.714 6167 E CB -0.332 29.375 29.700 0.011 0.000 1.154 6167 E HN 0.345 nan 8.360 nan 0.000 0.363 6168 R N 0.033 120.349 120.500 -0.306 0.000 2.308 6168 R HA 0.176 4.516 4.340 -0.000 0.000 0.305 6168 R C 0.300 176.481 176.300 -0.200 0.000 1.053 6168 R CA -0.084 55.932 56.100 -0.140 0.000 0.957 6168 R CB 0.462 30.745 30.300 -0.028 0.000 1.022 6168 R HN 0.224 nan 8.270 nan 0.000 0.461 6169 Y N -0.303 120.036 120.300 0.064 0.000 2.442 6169 Y HA 0.085 4.635 4.550 -0.000 0.000 0.250 6169 Y C 0.214 176.142 175.900 0.045 0.000 1.113 6169 Y CA -0.178 57.951 58.100 0.048 0.000 1.273 6169 Y CB 0.727 39.205 38.460 0.030 0.000 1.138 6169 Y HN 0.450 nan 8.280 nan 0.000 0.522 6170 D N 1.641 122.157 120.400 0.193 0.000 2.608 6170 D HA 0.098 4.738 4.640 -0.000 0.000 0.224 6170 D C 0.301 176.648 176.300 0.077 0.000 1.123 6170 D CA 0.363 54.443 54.000 0.134 0.000 1.030 6170 D CB -0.109 40.774 40.800 0.139 0.000 1.093 6170 D HN 0.243 nan 8.370 nan 0.000 0.497 6171 T N -3.488 111.084 114.554 0.029 0.000 2.838 6171 T HA 0.189 4.539 4.350 -0.000 0.000 0.292 6171 T C 1.029 175.728 174.700 -0.001 0.000 1.113 6171 T CA -0.865 61.199 62.100 -0.061 0.000 1.008 6171 T CB 0.980 69.786 68.868 -0.104 0.000 1.259 6171 T HN 0.130 nan 8.240 nan 0.000 0.520 6172 Y N 1.498 121.725 120.300 -0.122 0.000 2.114 6172 Y HA -0.220 4.330 4.550 -0.000 0.000 0.282 6172 Y C 2.734 178.611 175.900 -0.037 0.000 1.165 6172 Y CA 2.732 60.788 58.100 -0.074 0.000 1.148 6172 Y CB -0.213 38.195 38.460 -0.086 0.000 0.972 6172 Y HN 0.765 nan 8.280 nan 0.000 0.504 6173 S N -1.132 114.475 115.700 -0.155 0.000 2.458 6173 S HA 0.152 4.622 4.470 -0.000 0.000 0.223 6173 S C 1.832 176.375 174.600 -0.095 0.000 1.019 6173 S CA 0.578 58.655 58.200 -0.205 0.000 0.937 6173 S CB -0.290 62.875 63.200 -0.057 0.000 0.788 6173 S HN 0.955 nan 8.310 nan 0.000 0.511 6174 G N 2.146 110.935 108.800 -0.018 0.000 2.180 6174 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.263 6174 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.263 6174 G C 0.061 175.062 174.900 0.168 0.000 0.989 6174 G CA 0.655 45.802 45.100 0.078 0.000 0.692 6174 G HN 1.035 nan 8.290 nan 0.000 0.526 6175 R N -1.346 119.212 120.500 0.097 0.000 2.732 6175 R HA 0.807 5.147 4.340 -0.000 0.000 0.278 6175 R C -1.018 175.318 176.300 0.060 0.000 0.976 6175 R CA -0.985 55.191 56.100 0.128 0.000 0.963 6175 R CB 2.198 32.542 30.300 0.072 0.000 1.150 6175 R HN 0.232 nan 8.270 nan 0.000 0.478 6176 V N 2.970 122.939 119.914 0.090 0.000 2.531 6176 V HA 0.232 4.352 4.120 -0.000 0.000 0.301 6176 V C -0.021 176.137 176.094 0.105 0.000 1.034 6176 V CA -1.046 61.262 62.300 0.014 0.000 0.865 6176 V CB 1.740 33.467 31.823 -0.161 0.000 0.995 6176 V HN 0.714 nan 8.190 nan 0.000 0.424 6177 V N 5.899 125.889 119.914 0.127 0.000 3.061 6177 V HA 0.023 4.143 4.120 -0.000 0.000 0.306 6177 V C 1.885 178.044 176.094 0.109 0.000 1.118 6177 V CA 0.876 63.251 62.300 0.126 0.000 1.231 6177 V CB 0.869 32.785 31.823 0.155 0.000 0.956 6177 V HN 0.986 nan 8.190 nan 0.000 0.499 6178 R N 3.540 124.073 120.500 0.055 0.000 2.113 6178 R HA -0.230 4.110 4.340 -0.000 0.000 0.244 6178 R C 2.308 178.587 176.300 -0.036 0.000 1.142 6178 R CA 2.555 58.665 56.100 0.018 0.000 0.953 6178 R CB -0.379 29.921 30.300 -0.000 0.000 0.860 6178 R HN 0.837 nan 8.270 nan 0.000 0.438 6179 R N -0.634 119.802 120.500 -0.106 0.000 2.117 6179 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 6179 R C 1.339 177.375 176.300 -0.440 0.000 1.143 6179 R CA 2.037 57.947 56.100 -0.318 0.000 0.968 6179 R CB -0.198 29.814 30.300 -0.480 0.000 0.863 6179 R HN 0.325 nan 8.270 nan 0.000 0.444 6180 F N 0.458 120.427 119.950 0.031 0.000 2.721 6180 F HA 0.256 4.783 4.527 0.000 0.000 0.301 6180 F C 0.404 176.211 175.800 0.011 0.000 1.096 6180 F CA -0.415 57.604 58.000 0.031 0.000 1.308 6180 F CB 0.453 39.473 39.000 0.033 0.000 1.086 6180 F HN -0.325 nan 8.300 nan 0.000 0.587 6181 K N 1.079 121.565 120.400 0.143 0.000 2.412 6181 K HA 0.207 4.527 4.320 -0.000 0.000 0.284 6181 K C 1.116 177.761 176.600 0.075 0.000 1.046 6181 K CA 0.838 57.214 56.287 0.147 0.000 0.999 6181 K CB 0.413 32.989 32.500 0.125 0.000 0.941 6181 K HN 0.389 nan 8.250 nan 0.000 0.474 6182 G N 1.939 110.797 108.800 0.096 0.000 2.162 6182 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 6182 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 6182 G C 0.986 175.834 174.900 -0.087 0.000 0.976 6182 G CA 0.877 45.983 45.100 0.010 0.000 0.655 6182 G HN 0.624 nan 8.290 nan 0.000 0.533 6183 S N -0.738 114.921 115.700 -0.069 0.000 2.387 6183 S HA 0.090 4.560 4.470 -0.000 0.000 0.226 6183 S C 2.256 176.620 174.600 -0.394 0.000 1.026 6183 S CA 1.522 59.536 58.200 -0.309 0.000 0.972 6183 S CB -0.263 62.938 63.200 0.002 0.000 0.814 6183 S HN 0.636 nan 8.310 nan 0.000 0.477 6184 M N 1.530 121.147 119.600 0.028 0.000 2.117 6184 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 6184 M C 2.476 178.784 176.300 0.012 0.000 1.065 6184 M CA 1.997 57.395 55.300 0.163 0.000 1.114 6184 M CB -0.264 32.496 32.600 0.267 0.000 1.361 6184 M HN 0.346 nan 8.290 nan 0.000 0.408 6185 E N 0.607 120.789 120.200 -0.030 0.000 2.118 6185 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 6185 E C 1.564 178.108 176.600 -0.094 0.000 0.992 6185 E CA 1.813 58.188 56.400 -0.042 0.000 0.804 6185 E CB -0.157 29.521 29.700 -0.037 0.000 0.741 6185 E HN 0.685 nan 8.360 nan 0.000 0.458 6186 E N -0.492 119.572 120.200 -0.227 0.000 2.031 6186 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 6186 E C 2.087 178.597 176.600 -0.151 0.000 0.994 6186 E CA 1.545 57.769 56.400 -0.293 0.000 0.800 6186 E CB -0.378 28.991 29.700 -0.552 0.000 0.752 6186 E HN 0.423 nan 8.360 nan 0.000 0.447 6187 W N 1.388 122.686 121.300 -0.004 0.000 2.342 6187 W HA -0.193 4.467 4.660 0.000 0.000 0.297 6187 W C 2.586 179.063 176.519 -0.070 0.000 1.213 6187 W CA 0.416 57.732 57.345 -0.048 0.000 1.251 6187 W CB -0.177 29.218 29.460 -0.108 0.000 1.136 6187 W HN 0.184 nan 8.180 nan 0.000 0.526 6188 Q N 0.909 120.785 119.800 0.127 0.000 2.050 6188 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 6188 Q C 2.408 178.430 176.000 0.037 0.000 0.980 6188 Q CA 2.030 57.862 55.803 0.047 0.000 0.840 6188 Q CB -0.424 28.323 28.738 0.015 0.000 0.898 6188 Q HN 0.252 nan 8.270 nan 0.000 0.424 6189 A N 0.376 123.213 122.820 0.027 0.000 2.019 6189 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 6189 A C 1.833 179.441 177.584 0.039 0.000 1.164 6189 A CA 1.355 53.404 52.037 0.019 0.000 0.644 6189 A CB -0.377 18.621 19.000 -0.004 0.000 0.805 6189 A HN 0.469 nan 8.150 nan 0.000 0.449 6190 M N -1.276 118.369 119.600 0.075 0.000 2.561 6190 M HA 0.179 4.659 4.480 -0.000 0.000 0.238 6190 M C 1.317 177.660 176.300 0.072 0.000 1.131 6190 M CA 0.729 56.085 55.300 0.093 0.000 1.046 6190 M CB 0.235 32.938 32.600 0.171 0.000 1.532 6190 M HN 0.605 nan 8.290 nan 0.000 0.497 6191 G N 0.540 109.372 108.800 0.053 0.000 2.159 6191 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 6191 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 6191 G C 0.117 175.022 174.900 0.009 0.000 0.977 6191 G CA -0.162 44.955 45.100 0.027 0.000 0.652 6191 G HN 0.314 nan 8.290 nan 0.000 0.531 6192 V N 1.666 121.591 119.914 0.018 0.000 2.673 6192 V HA 0.183 4.303 4.120 -0.000 0.000 0.303 6192 V C 1.852 177.897 176.094 -0.082 0.000 1.046 6192 V CA 1.214 63.488 62.300 -0.045 0.000 1.126 6192 V CB 1.235 33.015 31.823 -0.070 0.000 0.934 6192 V HN 0.395 nan 8.190 nan 0.000 0.487 6193 M N 3.077 122.616 119.600 -0.102 0.000 2.394 6193 M HA 0.121 4.601 4.480 -0.000 0.000 0.266 6193 M C 0.559 176.775 176.300 -0.140 0.000 1.098 6193 M CA 0.885 56.119 55.300 -0.109 0.000 1.149 6193 M CB 0.045 32.598 32.600 -0.079 0.000 1.369 6193 M HN 0.964 nan 8.290 nan 0.000 0.450 6194 N N -1.706 116.886 118.700 -0.180 0.000 3.185 6194 N HA 0.163 4.903 4.740 -0.000 0.000 0.238 6194 N C -2.014 173.362 175.510 -0.224 0.000 1.451 6194 N CA -0.654 52.296 53.050 -0.166 0.000 0.888 6194 N CB 1.133 39.577 38.487 -0.072 0.000 1.413 6194 N HN -0.125 nan 8.380 nan 0.000 0.511 6195 Y N -0.254 119.997 120.300 -0.082 0.000 2.393 6195 Y HA 0.510 5.060 4.550 -0.000 0.000 0.341 6195 Y C 0.295 176.137 175.900 -0.097 0.000 0.988 6195 Y CA -0.169 57.864 58.100 -0.111 0.000 1.078 6195 Y CB 1.640 40.016 38.460 -0.141 0.000 1.203 6195 Y HN 0.817 nan 8.280 nan 0.000 0.453 6196 E N -0.049 120.210 120.200 0.098 0.000 2.350 6196 E HA 0.527 4.877 4.350 -0.000 0.000 0.243 6196 E C -0.962 175.647 176.600 0.015 0.000 0.959 6196 E CA -0.692 55.732 56.400 0.040 0.000 0.883 6196 E CB 1.139 30.857 29.700 0.030 0.000 1.820 6196 E HN 0.429 nan 8.360 nan 0.000 0.441 6197 M N -0.700 118.906 119.600 0.010 0.000 2.268 6197 M HA 0.338 4.818 4.480 -0.000 0.000 0.355 6197 M C -0.098 176.202 176.300 -0.001 0.000 0.938 6197 M CA 0.211 55.510 55.300 -0.002 0.000 1.025 6197 M CB 0.785 33.388 32.600 0.006 0.000 1.773 6197 M HN 0.455 nan 8.290 nan 0.000 0.613 6198 E N -0.524 119.676 120.200 0.000 0.000 2.500 6198 E HA 0.078 4.428 4.350 -0.000 0.000 0.217 6198 E C 1.831 178.423 176.600 -0.013 0.000 0.848 6198 E CA 0.657 57.054 56.400 -0.004 0.000 1.217 6198 E CB 0.358 30.059 29.700 0.002 0.000 1.217 6198 E HN 0.310 nan 8.360 nan 0.000 0.573 6199 S N 0.826 116.520 115.700 -0.011 0.000 2.383 6199 S HA -0.068 4.402 4.470 -0.000 0.000 0.227 6199 S C 2.224 176.813 174.600 -0.018 0.000 1.026 6199 S CA 0.884 59.075 58.200 -0.015 0.000 0.981 6199 S CB -0.281 62.911 63.200 -0.012 0.000 0.818 6199 S HN 0.224 nan 8.310 nan 0.000 0.472 6200 A N 1.928 124.740 122.820 -0.013 0.000 1.883 6200 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 6200 A C 2.447 180.032 177.584 0.002 0.000 1.186 6200 A CA 2.221 54.258 52.037 0.001 0.000 0.624 6200 A CB -1.723 17.282 19.000 0.007 0.000 0.822 6200 A HN 0.564 nan 8.150 nan 0.000 0.444 6201 T N 0.014 114.562 114.554 -0.010 0.000 2.674 6201 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 6201 T C 1.884 176.512 174.700 -0.121 0.000 1.039 6201 T CA 1.513 63.597 62.100 -0.028 0.000 1.150 6201 T CB -0.465 68.394 68.868 -0.014 0.000 0.864 6201 T HN 0.357 nan 8.240 nan 0.000 0.427 6202 L N 1.119 122.274 121.223 -0.114 0.000 1.989 6202 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 6202 L C 2.210 178.989 176.870 -0.152 0.000 1.071 6202 L CA 1.765 56.504 54.840 -0.167 0.000 0.749 6202 L CB -0.770 41.226 42.059 -0.105 0.000 0.890 6202 L HN 0.251 nan 8.230 nan 0.000 0.431 6203 L N -1.295 119.887 121.223 -0.069 0.000 2.056 6203 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 6203 L C 2.377 179.247 176.870 -0.000 0.000 1.078 6203 L CA 1.681 56.510 54.840 -0.020 0.000 0.749 6203 L CB -1.172 40.896 42.059 0.015 0.000 0.901 6203 L HN 0.321 nan 8.230 nan 0.000 0.433 6204 T N 0.688 115.242 114.554 -0.000 0.000 2.674 6204 T HA -0.230 4.120 4.350 -0.000 0.000 0.265 6204 T C 1.867 176.484 174.700 -0.137 0.000 1.039 6204 T CA 1.979 64.101 62.100 0.037 0.000 1.150 6204 T CB -0.274 68.639 68.868 0.075 0.000 0.864 6204 T HN 0.445 nan 8.240 nan 0.000 0.427 6205 M N 0.298 119.685 119.600 -0.355 0.000 2.213 6205 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 6205 M C 2.247 178.283 176.300 -0.441 0.000 1.062 6205 M CA 1.528 56.374 55.300 -0.757 0.000 1.105 6205 M CB -1.086 30.587 32.600 -1.546 0.000 1.385 6205 M HN 0.193 nan 8.290 nan 0.000 0.417 6206 C N 1.376 120.507 119.300 -0.282 0.000 2.500 6206 C HA 0.158 4.618 4.460 -0.000 0.000 0.279 6206 C C 3.269 178.242 174.990 -0.029 0.000 1.288 6206 C CA 1.023 59.955 59.018 -0.144 0.000 1.710 6206 C CB -1.155 26.532 27.740 -0.088 0.000 2.052 6206 C HN 0.764 nan 8.230 nan 0.000 0.488 6207 A N 0.915 123.758 122.820 0.037 0.000 2.070 6207 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 6207 A C 2.102 179.793 177.584 0.179 0.000 1.159 6207 A CA 2.056 54.191 52.037 0.164 0.000 0.656 6207 A CB -0.532 18.645 19.000 0.294 0.000 0.800 6207 A HN 0.723 nan 8.150 nan 0.000 0.453 6208 S N -2.091 113.588 115.700 -0.036 0.000 2.540 6208 S HA 0.203 4.673 4.470 -0.000 0.000 0.218 6208 S C 0.821 175.370 174.600 -0.085 0.000 0.977 6208 S CA 0.094 58.167 58.200 -0.210 0.000 0.918 6208 S CB 0.108 62.933 63.200 -0.624 0.000 0.806 6208 S HN 0.614 nan 8.310 nan 0.000 0.496 6209 Q N 0.363 120.141 119.800 -0.037 0.000 2.055 6209 Q HA 0.343 4.683 4.340 -0.000 0.000 0.226 6209 Q C 0.573 176.587 176.000 0.024 0.000 0.805 6209 Q CA 0.017 55.815 55.803 -0.007 0.000 1.072 6209 Q CB 1.063 29.786 28.738 -0.026 0.000 1.219 6209 Q HN 0.613 nan 8.270 nan 0.000 0.451 6210 G N 1.509 110.334 108.800 0.043 0.000 2.198 6210 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 6210 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 6210 G C -0.128 174.813 174.900 0.069 0.000 1.025 6210 G CA 0.289 45.423 45.100 0.058 0.000 0.769 6210 G HN 0.270 nan 8.290 nan 0.000 0.507 6211 L N -0.657 120.612 121.223 0.077 0.000 2.334 6211 L HA 0.640 4.980 4.340 -0.000 0.000 0.273 6211 L C 0.931 177.880 176.870 0.130 0.000 1.013 6211 L CA -1.149 53.768 54.840 0.129 0.000 0.816 6211 L CB 1.468 43.636 42.059 0.182 0.000 1.278 6211 L HN 0.051 nan 8.230 nan 0.000 0.431 6212 R N 1.729 122.317 120.500 0.146 0.000 2.297 6212 R HA 0.741 5.081 4.340 -0.000 0.000 0.308 6212 R C -0.688 175.711 176.300 0.164 0.000 1.029 6212 R CA -0.458 55.714 56.100 0.121 0.000 0.929 6212 R CB 1.550 31.898 30.300 0.079 0.000 1.046 6212 R HN 0.708 nan 8.270 nan 0.000 0.461 6213 A N 1.558 124.451 122.820 0.122 0.000 2.449 6213 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 6213 A C -0.619 177.009 177.584 0.073 0.000 1.048 6213 A CA -0.655 51.456 52.037 0.123 0.000 0.708 6213 A CB 2.084 21.132 19.000 0.079 0.000 1.274 6213 A HN 0.763 nan 8.150 nan 0.000 0.410 6214 G N -0.061 108.779 108.800 0.067 0.000 2.533 6214 G HA2 0.676 4.636 3.960 -0.000 0.000 0.304 6214 G HA3 0.676 4.636 3.960 -0.000 0.000 0.304 6214 G C -1.076 173.844 174.900 0.034 0.000 1.263 6214 G CA -0.581 44.540 45.100 0.034 0.000 0.964 6214 G HN 1.064 nan 8.290 nan 0.000 0.479 6215 M N 1.770 121.382 119.600 0.019 0.000 2.224 6215 M HA 0.692 5.172 4.480 -0.000 0.000 0.281 6215 M C -1.810 174.497 176.300 0.012 0.000 1.025 6215 M CA -0.878 54.432 55.300 0.017 0.000 0.954 6215 M CB 1.873 34.480 32.600 0.011 0.000 1.639 6215 M HN 0.763 nan 8.290 nan 0.000 0.461 6216 V N 4.025 123.949 119.914 0.016 0.000 2.971 6216 V HA 1.051 5.171 4.120 -0.000 0.000 0.309 6216 V C -1.833 174.273 176.094 0.020 0.000 1.130 6216 V CA 0.229 62.539 62.300 0.016 0.000 0.964 6216 V CB 2.033 33.864 31.823 0.014 0.000 1.029 6216 V HN 1.299 nan 8.190 nan 0.000 0.427 6217 A N 3.571 126.406 122.820 0.024 0.000 2.594 6217 A HA 0.910 5.230 4.320 -0.000 0.000 0.295 6217 A C -0.282 177.321 177.584 0.032 0.000 1.071 6217 A CA -0.153 51.900 52.037 0.026 0.000 0.685 6217 A CB 1.815 20.829 19.000 0.023 0.000 1.285 6217 A HN 1.731 nan 8.150 nan 0.000 0.405 6218 G N 0.101 108.920 108.800 0.033 0.000 2.348 6218 G HA2 0.529 4.489 3.960 -0.000 0.000 0.312 6218 G HA3 0.529 4.489 3.960 -0.000 0.000 0.312 6218 G C -0.404 174.514 174.900 0.030 0.000 1.126 6218 G CA -0.349 44.772 45.100 0.035 0.000 0.865 6218 G HN 0.924 nan 8.290 nan 0.000 0.474 6219 V N 3.121 123.052 119.914 0.028 0.000 2.521 6219 V HA 0.113 4.233 4.120 -0.000 0.000 0.286 6219 V C 1.291 177.398 176.094 0.022 0.000 1.034 6219 V CA 0.280 62.593 62.300 0.022 0.000 1.045 6219 V CB 0.895 32.728 31.823 0.017 0.000 0.974 6219 V HN 0.770 nan 8.190 nan 0.000 0.480 6220 I N 3.154 123.740 120.570 0.027 0.000 4.288 6220 I HA 0.549 4.719 4.170 -0.000 0.000 0.331 6220 I C 0.160 176.296 176.117 0.032 0.000 1.322 6220 I CA 0.234 61.552 61.300 0.030 0.000 1.149 6220 I CB 1.122 39.146 38.000 0.039 0.000 1.112 6220 I HN 0.406 nan 8.210 nan 0.000 0.403 6221 V N 1.422 121.353 119.914 0.028 0.000 3.077 6221 V HA 0.461 4.581 4.120 -0.000 0.000 0.299 6221 V C -1.823 174.279 176.094 0.013 0.000 1.276 6221 V CA -0.556 61.758 62.300 0.025 0.000 0.993 6221 V CB 2.329 34.172 31.823 0.034 0.000 1.076 6221 V HN 0.337 nan 8.190 nan 0.000 0.434 6222 N N 4.998 123.702 118.700 0.007 0.000 2.469 6222 N HA 0.392 5.132 4.740 -0.000 0.000 0.253 6222 N C 0.608 176.119 175.510 0.003 0.000 0.970 6222 N CA -0.545 52.502 53.050 -0.005 0.000 0.940 6222 N CB 1.570 40.045 38.487 -0.019 0.000 1.128 6222 N HN 0.617 nan 8.380 nan 0.000 0.503 6223 R N 1.050 121.558 120.500 0.013 0.000 2.280 6223 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 6223 R C 1.401 177.718 176.300 0.029 0.000 1.043 6223 R CA 0.729 56.849 56.100 0.034 0.000 1.006 6223 R CB -0.661 29.688 30.300 0.083 0.000 0.885 6223 R HN 0.677 nan 8.270 nan 0.000 0.467 6224 T N -2.627 111.927 114.554 -0.000 0.000 3.072 6224 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 6224 T C 1.533 176.228 174.700 -0.008 0.000 1.127 6224 T CA 0.875 62.968 62.100 -0.012 0.000 1.107 6224 T CB 0.179 69.015 68.868 -0.052 0.000 0.910 6224 T HN 0.254 nan 8.240 nan 0.000 0.513 6225 Q N 0.289 120.088 119.800 -0.001 0.000 2.532 6225 Q HA 0.271 4.611 4.340 -0.000 0.000 0.247 6225 Q C 0.663 176.673 176.000 0.018 0.000 0.872 6225 Q CA 0.009 55.813 55.803 0.003 0.000 0.963 6225 Q CB 0.595 29.332 28.738 -0.003 0.000 1.159 6225 Q HN 0.790 nan 8.270 nan 0.000 0.598 6226 Q N -1.194 118.621 119.800 0.025 0.000 2.575 6226 Q HA 0.298 4.638 4.340 -0.000 0.000 0.290 6226 Q C -0.593 175.432 176.000 0.040 0.000 0.963 6226 Q CA -0.534 55.291 55.803 0.037 0.000 0.783 6226 Q CB 0.905 29.665 28.738 0.036 0.000 1.467 6226 Q HN -0.057 nan 8.270 nan 0.000 0.402 6227 E N 0.612 120.845 120.200 0.054 0.000 2.170 6227 E HA 0.118 4.468 4.350 -0.000 0.000 0.191 6227 E C 0.682 177.311 176.600 0.048 0.000 0.981 6227 E CA 1.062 57.487 56.400 0.042 0.000 0.830 6227 E CB 0.326 30.074 29.700 0.080 0.000 0.775 6227 E HN 0.552 nan 8.360 nan 0.000 0.470 6228 I N -1.766 118.857 120.570 0.087 0.000 2.769 6228 I HA 0.468 4.638 4.170 -0.000 0.000 0.298 6228 I C -2.952 173.214 176.117 0.081 0.000 1.128 6228 I CA -3.147 58.222 61.300 0.115 0.000 1.031 6228 I CB 1.947 40.051 38.000 0.173 0.000 1.235 6228 I HN -0.334 nan 8.210 nan 0.000 0.423 6229 P HA 0.202 nan 4.420 nan 0.000 0.272 6229 P C -0.760 176.567 177.300 0.046 0.000 1.223 6229 P CA -0.222 62.909 63.100 0.051 0.000 0.784 6229 P CB 0.362 32.090 31.700 0.047 0.000 0.923 6241 A N 0.787 123.685 122.820 0.131 0.000 1.972 6241 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 6241 A C 2.028 179.627 177.584 0.026 0.000 1.169 6241 A CA 2.050 54.126 52.037 0.065 0.000 0.635 6241 A CB -0.740 18.291 19.000 0.051 0.000 0.810 6241 A HN 0.216 nan 8.150 nan 0.000 0.446 6242 V N 0.046 119.968 119.914 0.013 0.000 2.358 6242 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 6242 V C 2.424 178.500 176.094 -0.029 0.000 1.047 6242 V CA 2.312 64.605 62.300 -0.013 0.000 1.035 6242 V CB -0.589 31.219 31.823 -0.025 0.000 0.658 6242 V HN 0.568 nan 8.190 nan 0.000 0.452 6243 K N -0.187 120.185 120.400 -0.046 0.000 2.097 6243 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 6243 K C 2.033 178.606 176.600 -0.045 0.000 1.049 6243 K CA 1.491 57.738 56.287 -0.066 0.000 0.933 6243 K CB -0.277 32.149 32.500 -0.123 0.000 0.717 6243 K HN 0.381 nan 8.250 nan 0.000 0.442 6244 I N 0.447 121.001 120.570 -0.026 0.000 2.252 6244 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 6244 I C 2.355 178.463 176.117 -0.015 0.000 1.102 6244 I CA 0.819 62.111 61.300 -0.013 0.000 1.385 6244 I CB -0.187 37.819 38.000 0.009 0.000 1.064 6244 I HN -0.016 nan 8.210 nan 0.000 0.414 6245 V N 0.375 120.283 119.914 -0.010 0.000 2.427 6245 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 6245 V C 2.368 178.452 176.094 -0.016 0.000 1.051 6245 V CA 1.662 63.956 62.300 -0.009 0.000 1.048 6245 V CB 0.135 31.957 31.823 -0.002 0.000 0.666 6245 V HN 0.209 nan 8.190 nan 0.000 0.456 6246 V N 0.157 120.057 119.914 -0.022 0.000 2.307 6246 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 6246 V C 2.518 178.597 176.094 -0.025 0.000 1.045 6246 V CA 2.306 64.591 62.300 -0.025 0.000 1.024 6246 V CB -0.710 31.094 31.823 -0.031 0.000 0.651 6246 V HN 0.701 nan 8.190 nan 0.000 0.449 6247 E N 0.946 121.130 120.200 -0.028 0.000 2.110 6247 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 6247 E C 2.055 178.639 176.600 -0.026 0.000 0.988 6247 E CA 1.635 58.019 56.400 -0.027 0.000 0.804 6247 E CB -0.441 29.242 29.700 -0.030 0.000 0.745 6247 E HN 0.507 nan 8.360 nan 0.000 0.458 6248 A N 0.814 123.618 122.820 -0.026 0.000 1.930 6248 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 6248 A C 2.460 180.027 177.584 -0.028 0.000 1.175 6248 A CA 1.878 53.897 52.037 -0.029 0.000 0.627 6248 A CB -1.015 17.968 19.000 -0.028 0.000 0.815 6248 A HN 0.401 nan 8.150 nan 0.000 0.443 6249 A N 0.193 122.998 122.820 -0.025 0.000 1.908 6249 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 6249 A C 2.202 179.771 177.584 -0.025 0.000 1.181 6249 A CA 1.608 53.630 52.037 -0.026 0.000 0.627 6249 A CB -0.533 18.453 19.000 -0.024 0.000 0.818 6249 A HN 0.580 nan 8.150 nan 0.000 0.445 6250 R N -0.580 119.906 120.500 -0.023 0.000 2.103 6250 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 6250 R C 2.197 178.485 176.300 -0.021 0.000 1.142 6250 R CA 1.686 57.774 56.100 -0.021 0.000 0.960 6250 R CB -0.352 29.936 30.300 -0.020 0.000 0.858 6250 R HN 0.515 nan 8.270 nan 0.000 0.439 6251 R N 0.395 120.881 120.500 -0.023 0.000 2.276 6251 R HA 0.019 4.359 4.340 -0.000 0.000 0.203 6251 R C 1.481 177.768 176.300 -0.022 0.000 1.017 6251 R CA 0.675 56.761 56.100 -0.023 0.000 1.010 6251 R CB 0.065 30.347 30.300 -0.030 0.000 0.900 6251 R HN 0.240 nan 8.270 nan 0.000 0.469 6252 L N 0.564 121.773 121.223 -0.024 0.000 2.728 6252 L HA 0.223 4.563 4.340 -0.000 0.000 0.238 6252 L C 0.566 177.422 176.870 -0.023 0.000 1.143 6252 L CA -0.231 54.596 54.840 -0.023 0.000 0.937 6252 L CB 0.197 42.239 42.059 -0.027 0.000 1.225 6252 L HN 0.016 nan 8.230 nan 0.000 0.507 6253 L N 0.000 121.210 121.223 -0.022 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 -0.023 0.000 0.813 6253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502