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 1y1s_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 TQQEIPNAET MKQTESHAVK 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 0.000 174.592 174.600 -0.013 0.000 1.055 6004 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 6004 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 6005 D N 0.424 120.826 120.400 0.002 0.000 2.277 6005 D HA 0.173 4.812 4.640 -0.000 0.000 0.209 6005 D C 0.967 177.287 176.300 0.033 0.000 0.970 6005 D CA 1.633 55.643 54.000 0.017 0.000 0.874 6005 D CB 0.516 41.328 40.800 0.019 0.000 0.982 6005 D HN 0.561 nan 8.370 nan 0.000 0.504 6006 V N -2.287 117.647 119.914 0.033 0.000 3.096 6006 V HA 0.393 4.513 4.120 -0.000 0.000 0.319 6006 V C 0.885 177.015 176.094 0.061 0.000 1.103 6006 V CA -0.906 61.435 62.300 0.069 0.000 1.016 6006 V CB 1.559 33.423 31.823 0.068 0.000 1.090 6006 V HN -0.091 nan 8.190 nan 0.000 0.449 6007 F N 0.371 120.292 119.950 -0.048 0.000 2.270 6007 F HA 0.123 4.650 4.527 -0.000 0.000 0.295 6007 F C 2.000 177.620 175.800 -0.299 0.000 1.087 6007 F CA 2.093 59.991 58.000 -0.171 0.000 1.365 6007 F CB 0.099 38.977 39.000 -0.203 0.000 1.056 6007 F HN 0.803 nan 8.300 nan 0.000 0.506 6008 H N -0.904 118.231 119.070 0.108 0.000 2.422 6008 H HA 0.198 4.754 4.556 -0.000 0.000 0.303 6008 H C 2.002 177.356 175.328 0.043 0.000 1.033 6008 H CA 1.243 57.323 56.048 0.052 0.000 1.335 6008 H CB -0.273 29.517 29.762 0.048 0.000 1.458 6008 H HN 0.097 nan 8.280 nan 0.000 0.556 6009 L N -0.152 121.129 121.223 0.098 0.000 2.376 6009 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 6009 L C 1.064 178.080 176.870 0.243 0.000 1.133 6009 L CA 0.606 55.534 54.840 0.146 0.000 0.816 6009 L CB -0.472 41.607 42.059 0.035 0.000 0.933 6009 L HN 0.496 nan 8.230 nan 0.000 0.449 6010 G N 1.170 110.052 108.800 0.137 0.000 2.314 6010 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.292 6010 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.292 6010 G C -0.425 174.540 174.900 0.108 0.000 1.059 6010 G CA -0.001 45.174 45.100 0.126 0.000 0.982 6010 G HN 0.094 nan 8.290 nan 0.000 0.505 6011 L N -0.262 120.997 121.223 0.060 0.000 2.256 6011 L HA 0.971 5.310 4.340 -0.000 0.000 0.261 6011 L C 0.731 177.614 176.870 0.022 0.000 1.022 6011 L CA -0.346 54.517 54.840 0.038 0.000 0.828 6011 L CB 1.992 44.075 42.059 0.040 0.000 1.374 6011 L HN 0.617 nan 8.230 nan 0.000 0.436 6012 T N -3.535 111.027 114.554 0.013 0.000 2.906 6012 T HA 0.430 4.780 4.350 -0.000 0.000 0.295 6012 T C 0.625 175.329 174.700 0.007 0.000 1.061 6012 T CA -0.771 61.334 62.100 0.008 0.000 1.000 6012 T CB 1.567 70.436 68.868 0.002 0.000 1.103 6012 T HN 0.519 nan 8.240 nan 0.000 0.486 6013 K N 1.021 121.426 120.400 0.008 0.000 2.160 6013 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 6013 K C 2.137 178.737 176.600 -0.000 0.000 1.047 6013 K CA 1.611 57.902 56.287 0.006 0.000 0.930 6013 K CB -0.239 32.265 32.500 0.007 0.000 0.720 6013 K HN 0.686 nan 8.250 nan 0.000 0.450 6014 N N 1.367 120.065 118.700 -0.002 0.000 2.223 6014 N HA -0.190 4.550 4.740 -0.000 0.000 0.185 6014 N C 1.040 176.544 175.510 -0.010 0.000 1.016 6014 N CA 1.176 54.223 53.050 -0.006 0.000 0.863 6014 N CB 0.027 38.510 38.487 -0.007 0.000 0.983 6014 N HN 0.174 nan 8.380 nan 0.000 0.429 6015 D N 0.893 121.287 120.400 -0.010 0.000 2.218 6015 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 6015 D C 1.874 178.167 176.300 -0.013 0.000 0.976 6015 D CA 0.618 54.608 54.000 -0.016 0.000 0.853 6015 D CB 0.068 40.860 40.800 -0.014 0.000 0.939 6015 D HN 0.446 nan 8.370 nan 0.000 0.481 6016 L N -0.007 121.212 121.223 -0.007 0.000 2.418 6016 L HA 0.005 4.344 4.340 -0.000 0.000 0.218 6016 L C 0.538 177.402 176.870 -0.010 0.000 1.125 6016 L CA 0.230 55.066 54.840 -0.007 0.000 0.835 6016 L CB -0.252 41.802 42.059 -0.009 0.000 0.953 6016 L HN -0.070 nan 8.230 nan 0.000 0.454 6017 Q N 0.195 119.989 119.800 -0.010 0.000 2.457 6017 Q HA -0.257 4.083 4.340 -0.000 0.000 0.283 6017 Q C 1.147 177.141 176.000 -0.010 0.000 1.234 6017 Q CA 0.856 56.653 55.803 -0.010 0.000 0.877 6017 Q CB -2.088 26.644 28.738 -0.009 0.000 1.250 6017 Q HN 0.796 nan 8.270 nan 0.000 0.481 6018 G N -1.718 107.075 108.800 -0.012 0.000 2.159 6018 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 6018 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 6018 G C 0.318 175.205 174.900 -0.021 0.000 0.977 6018 G CA 0.462 45.554 45.100 -0.014 0.000 0.652 6018 G HN 1.188 nan 8.290 nan 0.000 0.531 6019 A N -0.324 122.481 122.820 -0.025 0.000 2.488 6019 A HA 0.619 4.939 4.320 -0.000 0.000 0.249 6019 A C 1.060 178.609 177.584 -0.058 0.000 1.083 6019 A CA 1.090 53.105 52.037 -0.037 0.000 0.768 6019 A CB 0.284 19.264 19.000 -0.033 0.000 1.017 6019 A HN 0.545 nan 8.150 nan 0.000 0.496 6020 Q N 1.204 120.960 119.800 -0.073 0.000 2.246 6020 Q HA 0.299 4.639 4.340 -0.000 0.000 0.222 6020 Q C -0.215 175.683 176.000 -0.171 0.000 0.851 6020 Q CA 0.016 55.758 55.803 -0.101 0.000 0.945 6020 Q CB 0.665 29.363 28.738 -0.067 0.000 1.122 6020 Q HN 0.746 nan 8.270 nan 0.000 0.508 6021 L N 0.539 121.668 121.223 -0.156 0.000 2.346 6021 L HA 0.804 5.143 4.340 -0.000 0.000 0.274 6021 L C -1.668 175.084 176.870 -0.198 0.000 1.007 6021 L CA -0.702 54.019 54.840 -0.197 0.000 0.818 6021 L CB 1.659 43.649 42.059 -0.114 0.000 1.284 6021 L HN -0.100 nan 8.230 nan 0.000 0.424 6022 A N 5.797 128.455 122.820 -0.269 0.000 2.374 6022 A HA 0.654 4.974 4.320 -0.000 0.000 0.305 6022 A C -1.004 176.553 177.584 -0.044 0.000 1.053 6022 A CA -0.530 51.413 52.037 -0.157 0.000 0.726 6022 A CB 1.069 19.944 19.000 -0.207 0.000 1.229 6022 A HN 0.667 nan 8.150 nan 0.000 0.431 6023 I N 2.824 123.400 120.570 0.010 0.000 2.342 6023 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 6023 I C -0.242 175.921 176.117 0.076 0.000 1.010 6023 I CA -0.665 60.658 61.300 0.039 0.000 1.308 6023 I CB 1.633 39.647 38.000 0.022 0.000 1.400 6023 I HN 0.472 nan 8.210 nan 0.000 0.488 6024 V N 5.727 125.702 119.914 0.102 0.000 2.357 6024 V HA 0.554 4.674 4.120 -0.000 0.000 0.281 6024 V C -2.625 173.519 176.094 0.084 0.000 1.015 6024 V CA -1.877 60.494 62.300 0.119 0.000 0.827 6024 V CB 0.933 32.864 31.823 0.180 0.000 1.018 6024 V HN 0.488 nan 8.190 nan 0.000 0.432 6025 P HA 0.354 nan 4.420 nan 0.000 0.282 6025 P C 0.834 178.163 177.300 0.048 0.000 1.259 6025 P CA 0.056 63.182 63.100 0.042 0.000 0.826 6025 P CB 2.287 34.000 31.700 0.021 0.000 1.064 6026 G N 0.922 109.741 108.800 0.031 0.000 2.396 6026 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 6026 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 6026 G C 0.352 175.256 174.900 0.006 0.000 1.166 6026 G CA 0.445 45.559 45.100 0.024 0.000 0.793 6026 G HN 0.536 nan 8.290 nan 0.000 0.533 6027 D N 0.879 121.278 120.400 -0.003 0.000 2.343 6027 D HA 0.184 4.824 4.640 -0.000 0.000 0.255 6027 D C -0.842 175.452 176.300 -0.010 0.000 1.187 6027 D CA -2.408 51.582 54.000 -0.017 0.000 0.875 6027 D CB 1.855 42.641 40.800 -0.023 0.000 1.136 6027 D HN 0.059 nan 8.370 nan 0.000 0.469 6028 P HA -0.155 nan 4.420 nan 0.000 0.222 6028 P C 0.855 178.154 177.300 -0.001 0.000 1.147 6028 P CA 0.746 63.851 63.100 0.009 0.000 0.790 6028 P CB 0.293 31.991 31.700 -0.002 0.000 0.780 6029 E N -0.249 119.939 120.200 -0.020 0.000 2.511 6029 E HA -0.071 4.278 4.350 -0.000 0.000 0.196 6029 E C 1.419 177.982 176.600 -0.063 0.000 1.066 6029 E CA 0.077 56.456 56.400 -0.034 0.000 0.871 6029 E CB 0.072 29.752 29.700 -0.032 0.000 0.863 6029 E HN 0.005 nan 8.360 nan 0.000 0.520 6030 R N -0.590 119.873 120.500 -0.063 0.000 2.373 6030 R HA 0.099 4.438 4.340 -0.000 0.000 0.221 6030 R C 2.026 178.249 176.300 -0.128 0.000 0.893 6030 R CA 0.164 56.212 56.100 -0.086 0.000 1.049 6030 R CB -0.061 30.206 30.300 -0.054 0.000 1.119 6030 R HN 0.071 nan 8.270 nan 0.000 0.535 6031 V N 1.821 121.667 119.914 -0.113 0.000 2.282 6031 V HA -0.309 3.810 4.120 -0.000 0.000 0.249 6031 V C 2.470 178.314 176.094 -0.418 0.000 1.057 6031 V CA 2.449 64.664 62.300 -0.141 0.000 1.032 6031 V CB -0.411 31.413 31.823 0.001 0.000 0.645 6031 V HN 0.362 nan 8.190 nan 0.000 0.447 6032 E N 0.436 120.268 120.200 -0.613 0.000 2.031 6032 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 6032 E C 2.162 178.396 176.600 -0.610 0.000 0.994 6032 E CA 1.756 57.546 56.400 -1.017 0.000 0.800 6032 E CB -0.207 29.073 29.700 -0.699 0.000 0.752 6032 E HN 0.523 nan 8.360 nan 0.000 0.447 6033 K N 0.133 120.325 120.400 -0.347 0.000 2.074 6033 K HA -0.132 4.187 4.320 -0.000 0.000 0.209 6033 K C 2.077 178.561 176.600 -0.194 0.000 1.048 6033 K CA 1.900 58.052 56.287 -0.225 0.000 0.926 6033 K CB -0.194 32.218 32.500 -0.147 0.000 0.713 6033 K HN 0.273 nan 8.250 nan 0.000 0.444 6034 I N 0.020 120.482 120.570 -0.181 0.000 2.286 6034 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 6034 I C 2.277 178.322 176.117 -0.120 0.000 1.104 6034 I CA 0.926 62.154 61.300 -0.120 0.000 1.397 6034 I CB -0.304 37.648 38.000 -0.079 0.000 1.072 6034 I HN 0.122 nan 8.210 nan 0.000 0.417 6035 A N 0.898 123.610 122.820 -0.181 0.000 2.019 6035 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 6035 A C 2.483 180.005 177.584 -0.104 0.000 1.164 6035 A CA 1.562 53.536 52.037 -0.105 0.000 0.644 6035 A CB -0.680 18.268 19.000 -0.088 0.000 0.805 6035 A HN 0.419 nan 8.150 nan 0.000 0.449 6036 A N -0.366 122.336 122.820 -0.197 0.000 2.125 6036 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 6036 A C 1.814 179.356 177.584 -0.070 0.000 1.156 6036 A CA 1.159 53.114 52.037 -0.137 0.000 0.671 6036 A CB -0.483 18.411 19.000 -0.177 0.000 0.794 6036 A HN 0.492 nan 8.150 nan 0.000 0.459 6037 L N -1.305 119.879 121.223 -0.065 0.000 2.591 6037 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 6037 L C 0.840 177.698 176.870 -0.021 0.000 1.133 6037 L CA -0.107 54.709 54.840 -0.041 0.000 0.880 6037 L CB -0.363 41.670 42.059 -0.043 0.000 1.033 6037 L HN 0.407 nan 8.230 nan 0.000 0.450 6038 M N -1.673 117.920 119.600 -0.011 0.000 2.861 6038 M HA 0.360 4.840 4.480 -0.000 0.000 0.294 6038 M C -0.758 175.554 176.300 0.021 0.000 1.185 6038 M CA -0.847 54.456 55.300 0.007 0.000 0.809 6038 M CB 1.345 33.954 32.600 0.015 0.000 1.722 6038 M HN -0.180 nan 8.290 nan 0.000 0.496 6039 D N 0.791 121.206 120.400 0.026 0.000 2.283 6039 D HA 0.207 4.846 4.640 -0.000 0.000 0.248 6039 D C -0.487 175.843 176.300 0.051 0.000 1.072 6039 D CA -0.093 53.926 54.000 0.032 0.000 0.929 6039 D CB 0.913 41.726 40.800 0.022 0.000 1.182 6039 D HN 0.448 nan 8.370 nan 0.000 0.433 6040 K N -0.255 120.176 120.400 0.053 0.000 3.177 6040 K HA -0.143 4.177 4.320 -0.000 0.000 0.266 6040 K C -2.273 174.390 176.600 0.105 0.000 0.937 6040 K CA 0.140 56.464 56.287 0.062 0.000 0.702 6040 K CB -1.280 31.243 32.500 0.038 0.000 1.365 6040 K HN 0.353 nan 8.250 nan 0.000 0.466 6041 P HA 0.049 nan 4.420 nan 0.000 0.266 6041 P C -0.397 177.105 177.300 0.336 0.000 1.215 6041 P CA 0.095 63.399 63.100 0.339 0.000 0.763 6041 P CB 1.131 33.052 31.700 0.368 0.000 0.806 6042 V N 4.629 124.620 119.914 0.129 0.000 2.483 6042 V HA 0.268 4.388 4.120 -0.000 0.000 0.297 6042 V C 0.602 176.232 176.094 -0.773 0.000 1.027 6042 V CA -0.920 61.207 62.300 -0.288 0.000 0.855 6042 V CB 1.810 33.538 31.823 -0.158 0.000 0.995 6042 V HN 0.497 nan 8.190 nan 0.000 0.424 6043 K N 3.481 122.942 120.400 -1.565 0.000 2.382 6043 K HA 0.373 4.693 4.320 -0.000 0.000 0.275 6043 K C 0.129 176.302 176.600 -0.713 0.000 1.009 6043 K CA -0.115 55.113 56.287 -1.766 0.000 0.970 6043 K CB 0.729 32.336 32.500 -1.489 0.000 0.934 6043 K HN 0.655 nan 8.250 nan 0.000 0.479 6044 L N 2.048 122.990 121.223 -0.468 0.000 2.515 6044 L HA 0.384 4.724 4.340 -0.000 0.000 0.202 6044 L C 0.478 177.246 176.870 -0.169 0.000 1.056 6044 L CA 0.042 54.746 54.840 -0.227 0.000 0.847 6044 L CB 0.466 42.457 42.059 -0.113 0.000 1.131 6044 L HN 0.781 nan 8.230 nan 0.000 0.484 6045 A N -0.888 121.844 122.820 -0.147 0.000 2.511 6045 A HA 0.634 4.954 4.320 -0.000 0.000 0.293 6045 A C -1.226 176.266 177.584 -0.154 0.000 1.098 6045 A CA -0.182 51.754 52.037 -0.169 0.000 0.643 6045 A CB 1.579 20.504 19.000 -0.125 0.000 1.302 6045 A HN -0.140 nan 8.150 nan 0.000 0.446 6046 S N 0.375 115.870 115.700 -0.341 0.000 2.382 6046 S HA 0.546 5.016 4.470 -0.000 0.000 0.228 6046 S C -1.956 172.439 174.600 -0.342 0.000 0.996 6046 S CA -0.465 57.613 58.200 -0.202 0.000 1.094 6046 S CB 0.075 63.223 63.200 -0.088 0.000 1.209 6046 S HN 0.761 nan 8.310 nan 0.000 0.420 6047 H N 3.495 122.646 119.070 0.134 0.000 2.609 6047 H HA 0.591 5.147 4.556 -0.000 0.000 0.344 6047 H C 0.727 176.145 175.328 0.150 0.000 1.040 6047 H CA -0.254 55.875 56.048 0.134 0.000 1.216 6047 H CB 1.536 31.389 29.762 0.152 0.000 1.529 6047 H HN 0.770 nan 8.280 nan 0.000 0.519 6048 R N 0.533 121.140 120.500 0.178 0.000 3.895 6048 R HA -0.210 4.130 4.340 -0.000 0.000 0.431 6048 R C 0.909 177.130 176.300 -0.132 0.000 0.241 6048 R CA 1.793 57.905 56.100 0.020 0.000 1.369 6048 R CB -0.710 29.615 30.300 0.041 0.000 1.017 6048 R HN 0.758 nan 8.270 nan 0.000 0.556 6049 E N 2.017 121.955 120.200 -0.436 0.000 2.368 6049 E HA 0.040 4.390 4.350 -0.000 0.000 0.188 6049 E C -0.288 176.035 176.600 -0.463 0.000 1.061 6049 E CA 0.524 56.661 56.400 -0.437 0.000 0.933 6049 E CB 0.011 29.436 29.700 -0.458 0.000 1.091 6049 E HN 0.357 nan 8.360 nan 0.000 0.458 6050 F N 1.314 121.316 119.950 0.087 0.000 2.291 6050 F HA 0.274 4.800 4.527 -0.000 0.000 0.368 6050 F C 0.093 175.941 175.800 0.080 0.000 1.085 6050 F CA -0.768 57.289 58.000 0.094 0.000 1.165 6050 F CB 1.459 40.538 39.000 0.131 0.000 1.429 6050 F HN -0.280 nan 8.300 nan 0.000 0.503 6051 T N 1.915 116.597 114.554 0.213 0.000 2.753 6051 T HA 0.294 4.644 4.350 -0.000 0.000 0.297 6051 T C -0.111 174.722 174.700 0.222 0.000 0.981 6051 T CA -0.646 61.559 62.100 0.176 0.000 0.956 6051 T CB 0.635 69.591 68.868 0.148 0.000 0.936 6051 T HN 0.500 nan 8.240 nan 0.000 0.463 6052 S N 2.870 118.687 115.700 0.196 0.000 2.475 6052 S HA 0.748 5.218 4.470 -0.000 0.000 0.298 6052 S C -1.219 173.511 174.600 0.216 0.000 1.119 6052 S CA -0.932 57.388 58.200 0.200 0.000 1.085 6052 S CB 1.142 64.418 63.200 0.127 0.000 1.028 6052 S HN 0.644 nan 8.310 nan 0.000 0.489 6053 W N 1.278 122.588 121.300 0.017 0.000 2.864 6053 W HA 0.649 5.309 4.660 -0.000 0.000 0.343 6053 W C 0.164 176.685 176.519 0.003 0.000 1.109 6053 W CA -0.821 56.528 57.345 0.006 0.000 1.192 6053 W CB 2.005 31.467 29.460 0.003 0.000 1.426 6053 W HN 0.789 nan 8.180 nan 0.000 0.529 6054 R N 1.722 122.333 120.500 0.184 0.000 2.778 6054 R HA 0.921 5.261 4.340 -0.000 0.000 0.277 6054 R C -0.899 175.491 176.300 0.151 0.000 0.977 6054 R CA -0.416 55.753 56.100 0.115 0.000 0.950 6054 R CB 1.706 32.022 30.300 0.027 0.000 1.165 6054 R HN 0.615 nan 8.270 nan 0.000 0.474 6055 A N 2.201 125.083 122.820 0.103 0.000 2.557 6055 A HA 0.508 4.828 4.320 -0.000 0.000 0.292 6055 A C -1.698 175.915 177.584 0.049 0.000 1.139 6055 A CA -0.789 51.304 52.037 0.092 0.000 0.665 6055 A CB 1.730 20.792 19.000 0.103 0.000 1.285 6055 A HN 0.716 nan 8.150 nan 0.000 0.433 6056 E N -0.587 119.636 120.200 0.038 0.000 2.293 6056 E HA 0.565 4.915 4.350 -0.000 0.000 0.270 6056 E C -2.048 174.561 176.600 0.015 0.000 0.879 6056 E CA -0.752 55.661 56.400 0.021 0.000 0.756 6056 E CB 2.524 32.235 29.700 0.017 0.000 1.208 6056 E HN 0.356 nan 8.360 nan 0.000 0.428 6057 L N 3.054 124.282 121.223 0.007 0.000 2.376 6057 L HA 0.294 4.633 4.340 -0.000 0.000 0.275 6057 L C -0.875 175.995 176.870 -0.000 0.000 0.987 6057 L CA -0.051 54.791 54.840 0.003 0.000 0.828 6057 L CB 1.149 43.207 42.059 -0.001 0.000 1.249 6057 L HN 0.519 nan 8.230 nan 0.000 0.409 6058 D N 4.440 124.840 120.400 0.000 0.000 2.689 6058 D HA -0.207 4.432 4.640 -0.000 0.000 0.237 6058 D C 1.210 177.509 176.300 -0.000 0.000 1.148 6058 D CA 1.416 55.416 54.000 -0.001 0.000 0.656 6058 D CB -0.737 40.061 40.800 -0.003 0.000 1.050 6058 D HN 1.154 nan 8.370 nan 0.000 0.426 6059 G N -0.671 108.130 108.800 0.001 0.000 2.302 6059 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.263 6059 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.263 6059 G C 0.398 175.299 174.900 0.000 0.000 0.995 6059 G CA 1.018 46.118 45.100 0.001 0.000 0.622 6059 G HN 0.465 nan 8.290 nan 0.000 0.538 6060 K N 1.099 121.498 120.400 -0.002 0.000 2.143 6060 K HA 0.673 4.993 4.320 -0.000 0.000 0.272 6060 K C 0.493 177.091 176.600 -0.003 0.000 1.001 6060 K CA 0.082 56.366 56.287 -0.005 0.000 0.915 6060 K CB 1.780 34.275 32.500 -0.008 0.000 1.047 6060 K HN 0.516 nan 8.250 nan 0.000 0.458 6061 A N 1.967 124.784 122.820 -0.005 0.000 2.407 6061 A HA 0.420 4.740 4.320 -0.000 0.000 0.248 6061 A C 0.064 177.642 177.584 -0.009 0.000 1.082 6061 A CA -0.500 51.536 52.037 -0.002 0.000 0.785 6061 A CB 0.231 19.229 19.000 -0.004 0.000 1.020 6061 A HN 0.543 nan 8.150 nan 0.000 0.489 6062 V N 0.219 120.133 119.914 0.001 0.000 2.925 6062 V HA 0.704 4.824 4.120 -0.000 0.000 0.311 6062 V C -0.707 175.394 176.094 0.012 0.000 1.104 6062 V CA -1.000 61.296 62.300 -0.007 0.000 0.954 6062 V CB 1.735 33.555 31.823 -0.005 0.000 1.022 6062 V HN 0.660 nan 8.190 nan 0.000 0.427 6063 I N 2.950 123.518 120.570 -0.002 0.000 2.460 6063 I HA 0.633 4.803 4.170 -0.000 0.000 0.298 6063 I C -0.426 175.720 176.117 0.049 0.000 0.989 6063 I CA -0.722 60.595 61.300 0.029 0.000 1.173 6063 I CB 1.959 39.963 38.000 0.006 0.000 1.338 6063 I HN 0.540 nan 8.210 nan 0.000 0.456 6064 V N 5.001 124.975 119.914 0.099 0.000 2.407 6064 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 6064 V C -0.474 175.705 176.094 0.142 0.000 1.018 6064 V CA -0.474 61.887 62.300 0.102 0.000 0.842 6064 V CB 2.033 33.910 31.823 0.088 0.000 0.996 6064 V HN 0.912 nan 8.190 nan 0.000 0.426 6065 C N 5.086 124.467 119.300 0.136 0.000 2.551 6065 C HA 0.724 5.184 4.460 -0.000 0.000 0.332 6065 C C 0.602 175.697 174.990 0.174 0.000 1.139 6065 C CA -0.246 58.874 59.018 0.169 0.000 1.328 6065 C CB 1.188 29.029 27.740 0.168 0.000 1.903 6065 C HN 1.081 nan 8.230 nan 0.000 0.459 6066 S N 3.343 119.152 115.700 0.182 0.000 2.600 6066 S HA 0.413 4.883 4.470 -0.000 0.000 0.265 6066 S C 0.879 175.631 174.600 0.253 0.000 1.325 6066 S CA 0.562 58.858 58.200 0.159 0.000 1.002 6066 S CB 1.232 64.493 63.200 0.101 0.000 0.921 6066 S HN 1.200 nan 8.310 nan 0.000 0.554 6067 T N -2.332 112.334 114.554 0.187 0.000 2.959 6067 T HA 0.549 4.898 4.350 -0.000 0.000 0.254 6067 T C 1.117 175.894 174.700 0.128 0.000 1.003 6067 T CA 0.438 62.689 62.100 0.251 0.000 0.950 6067 T CB -0.704 68.253 68.868 0.148 0.000 1.090 6067 T HN 2.076 nan 8.240 nan 0.000 0.503 6068 G N 1.566 110.367 108.800 0.000 0.000 2.795 6068 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.664 6068 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.664 6068 G C -0.608 174.274 174.900 -0.029 0.000 1.381 6068 G CA -0.550 44.498 45.100 -0.086 0.000 0.853 6068 G HN 0.636 nan 8.290 nan 0.000 0.545 6069 I N 2.088 122.633 120.570 -0.042 0.000 2.496 6069 I HA 0.487 4.657 4.170 -0.000 0.000 0.285 6069 I C 1.212 177.325 176.117 -0.006 0.000 1.080 6069 I CA 1.217 62.506 61.300 -0.018 0.000 1.404 6069 I CB 0.590 38.573 38.000 -0.029 0.000 1.403 6069 I HN 2.038 nan 8.210 nan 0.000 0.539 6070 G N 3.985 112.790 108.800 0.007 0.000 2.690 6070 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 6070 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 6070 G C 0.591 175.499 174.900 0.013 0.000 1.277 6070 G CA -0.444 44.661 45.100 0.008 0.000 0.799 6070 G HN 0.962 nan 8.290 nan 0.000 0.613 6071 G N 0.459 109.263 108.800 0.007 0.000 2.422 6071 G HA2 0.100 4.060 3.960 -0.000 0.000 0.218 6071 G HA3 0.100 4.060 3.960 -0.000 0.000 0.218 6071 G C 0.109 175.019 174.900 0.016 0.000 1.146 6071 G CA 2.013 47.118 45.100 0.008 0.000 0.769 6071 G HN 0.677 nan 8.290 nan 0.000 0.547 6072 P HA -0.149 nan 4.420 nan 0.000 0.212 6072 P C 2.506 179.839 177.300 0.055 0.000 1.178 6072 P CA 2.515 65.620 63.100 0.008 0.000 0.915 6072 P CB -0.272 31.424 31.700 -0.006 0.000 0.788 6073 S N -1.957 113.796 115.700 0.088 0.000 2.399 6073 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 6073 S C 1.906 176.674 174.600 0.280 0.000 1.022 6073 S CA 1.916 60.257 58.200 0.234 0.000 0.983 6073 S CB -1.964 61.296 63.200 0.101 0.000 0.803 6073 S HN 0.116 nan 8.310 nan 0.000 0.480 6074 T N 2.962 117.596 114.554 0.133 0.000 2.777 6074 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 6074 T C 2.365 177.058 174.700 -0.012 0.000 1.040 6074 T CA 1.726 63.870 62.100 0.073 0.000 1.141 6074 T CB -0.724 68.152 68.868 0.014 0.000 0.868 6074 T HN 0.796 nan 8.240 nan 0.000 0.444 6075 S N 1.373 117.071 115.700 -0.003 0.000 2.383 6075 S HA -0.065 4.405 4.470 -0.000 0.000 0.229 6075 S C 2.058 176.640 174.600 -0.029 0.000 1.030 6075 S CA 0.827 59.022 58.200 -0.007 0.000 1.002 6075 S CB -0.785 62.512 63.200 0.162 0.000 0.829 6075 S HN 0.472 nan 8.310 nan 0.000 0.467 6076 I N 2.186 122.727 120.570 -0.048 0.000 2.133 6076 I HA -0.136 4.034 4.170 -0.000 0.000 0.238 6076 I C 3.121 179.093 176.117 -0.242 0.000 1.074 6076 I CA 1.078 62.279 61.300 -0.166 0.000 1.342 6076 I CB -0.851 36.967 38.000 -0.303 0.000 1.053 6076 I HN 0.429 nan 8.210 nan 0.000 0.404 6077 A N 0.626 123.274 122.820 -0.288 0.000 1.859 6077 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 6077 A C 2.398 179.925 177.584 -0.094 0.000 1.209 6077 A CA 2.565 54.460 52.037 -0.237 0.000 0.639 6077 A CB -1.316 17.686 19.000 0.003 0.000 0.835 6077 A HN 0.250 nan 8.150 nan 0.000 0.450 6078 V N 0.215 120.036 119.914 -0.153 0.000 2.250 6078 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 6078 V C 2.645 178.645 176.094 -0.157 0.000 1.060 6078 V CA 2.803 64.892 62.300 -0.351 0.000 1.030 6078 V CB -0.965 30.444 31.823 -0.690 0.000 0.643 6078 V HN 0.802 nan 8.190 nan 0.000 0.445 6079 E N 0.815 120.940 120.200 -0.125 0.000 2.012 6079 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 6079 E C 2.122 178.739 176.600 0.029 0.000 1.007 6079 E CA 2.245 58.626 56.400 -0.031 0.000 0.816 6079 E CB -0.462 29.243 29.700 0.007 0.000 0.762 6079 E HN 0.675 nan 8.360 nan 0.000 0.451 6080 E N -0.522 119.687 120.200 0.015 0.000 2.118 6080 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 6080 E C 2.058 178.695 176.600 0.062 0.000 0.992 6080 E CA 0.907 57.330 56.400 0.038 0.000 0.804 6080 E CB -0.163 29.550 29.700 0.021 0.000 0.741 6080 E HN 0.185 nan 8.360 nan 0.000 0.458 6081 L N 0.555 121.833 121.223 0.091 0.000 2.093 6081 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 6081 L C 2.200 179.178 176.870 0.180 0.000 1.085 6081 L CA 1.671 56.602 54.840 0.152 0.000 0.755 6081 L CB -0.665 41.562 42.059 0.280 0.000 0.904 6081 L HN 0.040 nan 8.230 nan 0.000 0.435 6082 A N -1.743 121.225 122.820 0.246 0.000 1.929 6082 A HA -0.200 4.119 4.320 -0.000 0.000 0.216 6082 A C 2.189 179.838 177.584 0.109 0.000 1.176 6082 A CA 1.205 53.375 52.037 0.222 0.000 0.628 6082 A CB -0.387 18.749 19.000 0.227 0.000 0.816 6082 A HN 0.524 nan 8.150 nan 0.000 0.444 6083 Q N -0.535 119.316 119.800 0.085 0.000 2.170 6083 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 6083 Q C 1.851 177.881 176.000 0.049 0.000 0.976 6083 Q CA 1.176 57.014 55.803 0.060 0.000 0.858 6083 Q CB -0.249 28.522 28.738 0.055 0.000 0.907 6083 Q HN 0.671 nan 8.270 nan 0.000 0.433 6084 L N -1.563 119.691 121.223 0.052 0.000 2.291 6084 L HA -0.029 4.310 4.340 -0.000 0.000 0.214 6084 L C 1.326 178.210 176.870 0.022 0.000 1.120 6084 L CA 0.930 55.791 54.840 0.035 0.000 0.799 6084 L CB 0.116 42.196 42.059 0.035 0.000 0.925 6084 L HN 0.486 nan 8.230 nan 0.000 0.446 6085 G N -0.799 108.015 108.800 0.024 0.000 2.370 6085 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.174 6085 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.174 6085 G C -0.124 174.758 174.900 -0.030 0.000 1.002 6085 G CA -0.713 44.389 45.100 0.003 0.000 0.730 6085 G HN 0.028 nan 8.290 nan 0.000 0.497 6086 I N 1.575 122.111 120.570 -0.056 0.000 2.441 6086 I HA 0.481 4.651 4.170 -0.000 0.000 0.287 6086 I C 1.438 177.452 176.117 -0.171 0.000 1.049 6086 I CA -0.419 60.751 61.300 -0.218 0.000 1.381 6086 I CB 1.284 38.996 38.000 -0.481 0.000 1.409 6086 I HN 0.041 nan 8.210 nan 0.000 0.523 6087 R N 2.757 123.144 120.500 -0.188 0.000 2.394 6087 R HA 0.263 4.603 4.340 -0.000 0.000 0.220 6087 R C -0.271 176.002 176.300 -0.044 0.000 0.887 6087 R CA 0.209 56.286 56.100 -0.039 0.000 1.034 6087 R CB 0.355 30.648 30.300 -0.012 0.000 1.179 6087 R HN 0.509 nan 8.270 nan 0.000 0.561 6088 T N 1.537 115.949 114.554 -0.237 0.000 2.840 6088 T HA 0.553 4.903 4.350 -0.000 0.000 0.287 6088 T C -1.056 173.445 174.700 -0.332 0.000 0.991 6088 T CA -0.293 61.724 62.100 -0.137 0.000 0.964 6088 T CB 1.054 69.871 68.868 -0.084 0.000 0.954 6088 T HN -0.169 nan 8.240 nan 0.000 0.438 6089 F N 2.798 122.745 119.950 -0.005 0.000 2.493 6089 F HA 0.571 5.097 4.527 -0.000 0.000 0.329 6089 F C -0.183 175.614 175.800 -0.005 0.000 1.126 6089 F CA -1.139 56.858 58.000 -0.005 0.000 0.937 6089 F CB 1.339 40.331 39.000 -0.014 0.000 1.146 6089 F HN 0.228 nan 8.300 nan 0.000 0.442 6090 L N 4.383 125.691 121.223 0.142 0.000 2.318 6090 L HA 0.515 4.855 4.340 -0.000 0.000 0.277 6090 L C 0.044 176.968 176.870 0.089 0.000 1.008 6090 L CA -0.651 54.241 54.840 0.086 0.000 0.846 6090 L CB 1.596 43.677 42.059 0.037 0.000 1.220 6090 L HN 0.621 nan 8.230 nan 0.000 0.423 6091 R N 3.950 124.497 120.500 0.079 0.000 2.531 6091 R HA 0.566 4.905 4.340 -0.000 0.000 0.273 6091 R C -0.964 175.360 176.300 0.041 0.000 1.070 6091 R CA -0.409 55.728 56.100 0.063 0.000 1.112 6091 R CB 1.315 31.643 30.300 0.046 0.000 1.049 6091 R HN 0.520 nan 8.270 nan 0.000 0.508 6092 I N 2.986 123.578 120.570 0.036 0.000 2.571 6092 I HA 0.570 4.740 4.170 -0.000 0.000 0.289 6092 I C -1.139 174.992 176.117 0.023 0.000 1.115 6092 I CA -0.041 61.275 61.300 0.025 0.000 1.045 6092 I CB 1.405 39.417 38.000 0.020 0.000 1.238 6092 I HN 0.880 nan 8.210 nan 0.000 0.424 6093 G N 4.789 113.601 108.800 0.021 0.000 2.682 6093 G HA2 0.630 4.589 3.960 -0.000 0.000 0.303 6093 G HA3 0.630 4.589 3.960 -0.000 0.000 0.303 6093 G C -0.976 173.938 174.900 0.024 0.000 1.341 6093 G CA -0.229 44.884 45.100 0.022 0.000 0.784 6093 G HN 0.645 nan 8.290 nan 0.000 0.497 6094 T N -2.451 112.120 114.554 0.029 0.000 2.927 6094 T HA 0.733 5.083 4.350 -0.000 0.000 0.281 6094 T C -0.155 174.570 174.700 0.041 0.000 0.998 6094 T CA -0.393 61.728 62.100 0.035 0.000 1.019 6094 T CB 1.930 70.823 68.868 0.041 0.000 1.061 6094 T HN 1.063 nan 8.240 nan 0.000 0.518 6095 T N -0.647 113.931 114.554 0.039 0.000 2.886 6095 T HA 0.590 4.940 4.350 -0.000 0.000 0.330 6095 T C -0.660 174.057 174.700 0.028 0.000 1.488 6095 T CA -0.459 61.661 62.100 0.034 0.000 1.054 6095 T CB 1.207 70.086 68.868 0.019 0.000 1.348 6095 T HN 1.140 nan 8.240 nan 0.000 0.489 6096 G N 1.897 110.715 108.800 0.029 0.000 2.347 6096 G HA2 0.643 4.603 3.960 -0.000 0.000 0.314 6096 G HA3 0.643 4.603 3.960 -0.000 0.000 0.314 6096 G C 0.100 175.008 174.900 0.015 0.000 1.126 6096 G CA -0.141 44.974 45.100 0.025 0.000 0.929 6096 G HN 1.000 nan 8.290 nan 0.000 0.441 6097 A N 2.452 125.259 122.820 -0.023 0.000 2.388 6097 A HA 0.548 4.868 4.320 -0.000 0.000 0.257 6097 A C 1.077 178.614 177.584 -0.079 0.000 1.095 6097 A CA -0.531 51.458 52.037 -0.080 0.000 0.791 6097 A CB 0.259 19.197 19.000 -0.104 0.000 1.029 6097 A HN 1.212 nan 8.150 nan 0.000 0.489 6098 I N -1.873 118.619 120.570 -0.131 0.000 4.009 6098 I HA 0.249 4.419 4.170 -0.000 0.000 0.331 6098 I C -0.234 175.831 176.117 -0.086 0.000 1.462 6098 I CA -0.350 60.894 61.300 -0.094 0.000 1.117 6098 I CB 0.101 38.012 38.000 -0.148 0.000 1.091 6098 I HN 0.333 nan 8.210 nan 0.000 0.410 6099 Q N 1.760 121.470 119.800 -0.150 0.000 2.266 6099 Q HA 0.412 4.752 4.340 -0.000 0.000 0.261 6099 Q C -1.956 173.950 176.000 -0.157 0.000 0.985 6099 Q CA -1.930 53.778 55.803 -0.159 0.000 0.873 6099 Q CB 1.959 30.503 28.738 -0.324 0.000 1.306 6099 Q HN -0.047 nan 8.270 nan 0.000 0.447 6100 P HA -0.177 nan 4.420 nan 0.000 0.216 6100 P C 1.049 178.360 177.300 0.020 0.000 1.153 6100 P CA 1.564 64.677 63.100 0.023 0.000 0.848 6100 P CB 0.088 31.836 31.700 0.079 0.000 0.787 6101 H N -0.814 118.227 119.070 -0.049 0.000 2.428 6101 H HA 0.048 4.604 4.556 -0.000 0.000 0.296 6101 H C 0.875 176.181 175.328 -0.037 0.000 1.062 6101 H CA 0.254 56.280 56.048 -0.037 0.000 1.350 6101 H CB -1.478 28.262 29.762 -0.037 0.000 1.403 6101 H HN 0.119 nan 8.280 nan 0.000 0.533 6102 I N 3.226 123.469 120.570 -0.545 0.000 2.664 6102 I HA -0.113 4.057 4.170 -0.000 0.000 0.284 6102 I C 0.920 176.975 176.117 -0.102 0.000 1.154 6102 I CA 0.458 61.555 61.300 -0.339 0.000 1.402 6102 I CB -0.040 37.685 38.000 -0.458 0.000 1.395 6102 I HN 0.337 nan 8.210 nan 0.000 0.545 6103 N N 5.875 124.579 118.700 0.007 0.000 2.492 6103 N HA 0.308 5.048 4.740 -0.000 0.000 0.289 6103 N C -0.423 175.101 175.510 0.024 0.000 1.133 6103 N CA -0.760 52.303 53.050 0.021 0.000 0.961 6103 N CB 2.009 40.523 38.487 0.045 0.000 1.186 6103 N HN 0.390 nan 8.380 nan 0.000 0.493 6104 V N 1.183 121.110 119.914 0.021 0.000 2.585 6104 V HA 0.451 4.571 4.120 -0.000 0.000 0.296 6104 V C 1.188 177.305 176.094 0.038 0.000 1.035 6104 V CA 0.839 63.155 62.300 0.026 0.000 1.084 6104 V CB 0.177 32.014 31.823 0.025 0.000 0.953 6104 V HN 1.055 nan 8.190 nan 0.000 0.483 6105 G N 3.199 112.025 108.800 0.044 0.000 2.307 6105 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.210 6105 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.210 6105 G C -0.089 174.846 174.900 0.058 0.000 1.005 6105 G CA 0.051 45.188 45.100 0.063 0.000 0.634 6105 G HN 0.869 nan 8.290 nan 0.000 0.496 6106 D N 0.768 121.193 120.400 0.042 0.000 2.400 6106 D HA 0.419 5.059 4.640 -0.000 0.000 0.238 6106 D C 0.908 177.224 176.300 0.027 0.000 1.157 6106 D CA 0.752 54.767 54.000 0.026 0.000 0.889 6106 D CB 1.764 42.622 40.800 0.098 0.000 1.199 6106 D HN 1.031 nan 8.370 nan 0.000 0.436 6107 V N -0.217 119.690 119.914 -0.011 0.000 2.435 6107 V HA 0.552 4.672 4.120 -0.000 0.000 0.290 6107 V C -0.597 175.505 176.094 0.015 0.000 1.030 6107 V CA -0.747 61.553 62.300 -0.001 0.000 0.881 6107 V CB 1.007 32.815 31.823 -0.024 0.000 0.983 6107 V HN 0.333 nan 8.190 nan 0.000 0.445 6108 L N 5.810 127.051 121.223 0.029 0.000 2.305 6108 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 6108 L C -0.512 176.368 176.870 0.016 0.000 1.013 6108 L CA -0.807 54.056 54.840 0.039 0.000 0.819 6108 L CB 1.904 43.981 42.059 0.031 0.000 1.227 6108 L HN 0.499 nan 8.230 nan 0.000 0.417 6109 V N 2.030 121.953 119.914 0.014 0.000 2.394 6109 V HA 0.291 4.410 4.120 -0.000 0.000 0.282 6109 V C 0.343 176.438 176.094 0.003 0.000 1.031 6109 V CA -0.316 61.985 62.300 0.001 0.000 0.881 6109 V CB 1.692 33.508 31.823 -0.012 0.000 0.982 6109 V HN 0.729 nan 8.190 nan 0.000 0.451 6110 T N 3.433 117.986 114.554 -0.002 0.000 2.733 6110 T HA 0.211 4.561 4.350 -0.000 0.000 0.294 6110 T C 1.293 175.994 174.700 0.001 0.000 0.956 6110 T CA 0.163 62.260 62.100 -0.005 0.000 0.987 6110 T CB 1.236 70.098 68.868 -0.010 0.000 0.920 6110 T HN 0.970 nan 8.240 nan 0.000 0.470 6111 T N 0.856 115.413 114.554 0.004 0.000 2.894 6111 T HA 0.434 4.784 4.350 -0.000 0.000 0.258 6111 T C 0.755 175.464 174.700 0.016 0.000 1.043 6111 T CA 0.326 62.436 62.100 0.016 0.000 1.141 6111 T CB 0.146 69.029 68.868 0.024 0.000 0.873 6111 T HN 0.724 nan 8.240 nan 0.000 0.449 6112 A N 0.015 122.836 122.820 0.001 0.000 2.612 6112 A HA 0.700 5.020 4.320 -0.000 0.000 0.293 6112 A C -0.881 176.687 177.584 -0.026 0.000 1.075 6112 A CA -0.836 51.199 52.037 -0.003 0.000 0.680 6112 A CB 1.562 20.559 19.000 -0.004 0.000 1.279 6112 A HN 0.248 nan 8.150 nan 0.000 0.411 6113 S N -0.412 115.272 115.700 -0.027 0.000 2.568 6113 S HA 0.602 5.072 4.470 -0.000 0.000 0.302 6113 S C -0.519 174.031 174.600 -0.084 0.000 1.082 6113 S CA -0.547 57.617 58.200 -0.060 0.000 1.009 6113 S CB 1.734 64.910 63.200 -0.041 0.000 1.069 6113 S HN 0.801 nan 8.310 nan 0.000 0.500 6114 V N 3.217 123.030 119.914 -0.168 0.000 2.389 6114 V HA 0.220 4.340 4.120 -0.000 0.000 0.264 6114 V C 0.542 176.554 176.094 -0.136 0.000 1.049 6114 V CA -0.304 61.859 62.300 -0.228 0.000 0.932 6114 V CB 0.025 31.512 31.823 -0.560 0.000 1.011 6114 V HN 0.691 nan 8.190 nan 0.000 0.475 6115 R N 5.736 126.210 120.500 -0.043 0.000 2.606 6115 R HA 0.200 4.540 4.340 -0.000 0.000 0.276 6115 R C 0.007 176.340 176.300 0.055 0.000 1.416 6115 R CA 0.091 56.203 56.100 0.020 0.000 1.064 6115 R CB -0.064 30.272 30.300 0.060 0.000 1.117 6115 R HN 0.661 nan 8.270 nan 0.000 0.543 6116 L N 2.721 123.981 121.223 0.063 0.000 3.154 6116 L HA 0.184 4.524 4.340 -0.000 0.000 0.266 6116 L C 0.135 177.083 176.870 0.131 0.000 1.300 6116 L CA -0.336 54.600 54.840 0.160 0.000 1.028 6116 L CB -0.494 41.696 42.059 0.218 0.000 1.412 6116 L HN 0.573 nan 8.230 nan 0.000 0.564 6117 D N -1.298 119.156 120.400 0.091 0.000 2.712 6117 D HA 0.387 5.027 4.640 -0.000 0.000 0.252 6117 D C 0.645 176.985 176.300 0.066 0.000 1.123 6117 D CA -0.133 53.906 54.000 0.063 0.000 1.109 6117 D CB 1.898 42.720 40.800 0.037 0.000 1.313 6117 D HN -0.079 nan 8.370 nan 0.000 0.629 6118 G N -1.353 107.463 108.800 0.028 0.000 2.649 6118 G HA2 0.283 4.243 3.960 -0.000 0.000 0.199 6118 G HA3 0.283 4.243 3.960 -0.000 0.000 0.199 6118 G C 1.241 176.095 174.900 -0.077 0.000 1.085 6118 G CA 0.710 45.818 45.100 0.013 0.000 0.804 6118 G HN 0.609 nan 8.290 nan 0.000 0.671 6119 A N 1.968 124.713 122.820 -0.125 0.000 1.933 6119 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 6119 A C 2.691 180.331 177.584 0.094 0.000 1.175 6119 A CA 2.625 54.559 52.037 -0.171 0.000 0.628 6119 A CB -0.797 18.195 19.000 -0.013 0.000 0.814 6119 A HN 0.806 nan 8.150 nan 0.000 0.444 6120 S N 0.516 116.306 115.700 0.150 0.000 2.387 6120 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 6120 S C 1.706 176.432 174.600 0.209 0.000 1.035 6120 S CA 1.645 59.979 58.200 0.224 0.000 1.014 6120 S CB -0.898 62.383 63.200 0.134 0.000 0.836 6120 S HN 0.467 nan 8.310 nan 0.000 0.466 6121 L N 0.835 122.157 121.223 0.165 0.000 2.450 6121 L HA -0.028 4.312 4.340 -0.000 0.000 0.224 6121 L C 2.242 179.182 176.870 0.117 0.000 1.149 6121 L CA 1.084 56.012 54.840 0.147 0.000 0.816 6121 L CB -0.757 41.395 42.059 0.155 0.000 0.932 6121 L HN 0.514 nan 8.230 nan 0.000 0.449 6122 H N -1.856 117.103 119.070 -0.185 0.000 2.539 6122 H HA 0.056 4.612 4.556 -0.000 0.000 0.267 6122 H C 1.156 176.031 175.328 -0.754 0.000 0.982 6122 H CA 0.428 56.199 56.048 -0.461 0.000 1.146 6122 H CB 0.468 29.878 29.762 -0.588 0.000 1.382 6122 H HN 0.354 nan 8.280 nan 0.000 0.577 6123 F N -0.395 119.565 119.950 0.017 0.000 2.747 6123 F HA 0.448 4.974 4.527 -0.000 0.000 0.305 6123 F C 0.696 176.387 175.800 -0.181 0.000 1.065 6123 F CA -0.097 57.850 58.000 -0.087 0.000 1.230 6123 F CB 1.200 40.131 39.000 -0.115 0.000 1.027 6123 F HN -0.039 nan 8.300 nan 0.000 0.607 6124 A N 0.735 123.552 122.820 -0.006 0.000 2.577 6124 A HA 0.571 4.891 4.320 -0.000 0.000 0.297 6124 A C -2.878 174.718 177.584 0.019 0.000 1.060 6124 A CA -1.300 50.672 52.037 -0.108 0.000 0.697 6124 A CB 0.631 19.351 19.000 -0.466 0.000 1.281 6124 A HN -0.164 nan 8.150 nan 0.000 0.402 6125 P HA 0.092 nan 4.420 nan 0.000 0.269 6125 P C 0.881 178.258 177.300 0.128 0.000 1.215 6125 P CA -0.139 63.007 63.100 0.078 0.000 0.780 6125 P CB 0.486 32.228 31.700 0.071 0.000 0.898 6126 M N 2.013 121.677 119.600 0.107 0.000 2.331 6126 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 6126 M C 1.342 177.719 176.300 0.128 0.000 1.072 6126 M CA 1.951 57.320 55.300 0.116 0.000 1.065 6126 M CB -1.067 31.587 32.600 0.088 0.000 1.392 6126 M HN 0.316 nan 8.290 nan 0.000 0.427 6127 E N -0.920 119.355 120.200 0.126 0.000 2.204 6127 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 6127 E C 0.268 176.944 176.600 0.126 0.000 0.989 6127 E CA 0.526 56.990 56.400 0.106 0.000 0.824 6127 E CB -0.451 29.300 29.700 0.086 0.000 0.756 6127 E HN 0.504 nan 8.360 nan 0.000 0.477 6128 F N 2.954 122.925 119.950 0.035 0.000 2.504 6128 F HA 0.143 4.670 4.527 -0.000 0.000 0.369 6128 F C -1.947 173.872 175.800 0.031 0.000 1.082 6128 F CA -2.854 55.167 58.000 0.034 0.000 1.216 6128 F CB 0.507 39.534 39.000 0.044 0.000 1.108 6128 F HN -0.112 nan 8.300 nan 0.000 0.554 6129 P HA 0.136 nan 4.420 nan 0.000 0.276 6129 P C -1.187 176.187 177.300 0.124 0.000 1.235 6129 P CA -0.377 62.695 63.100 -0.047 0.000 0.772 6129 P CB 1.251 32.846 31.700 -0.174 0.000 0.871 6130 A N 4.117 127.011 122.820 0.124 0.000 3.118 6130 A HA 0.259 4.578 4.320 -0.000 0.000 0.256 6130 A C 0.333 177.959 177.584 0.069 0.000 1.667 6130 A CA -0.400 51.712 52.037 0.126 0.000 1.338 6130 A CB -0.919 18.126 19.000 0.075 0.000 1.127 6130 A HN 0.480 nan 8.150 nan 0.000 0.634 6131 V N 1.232 121.190 119.914 0.073 0.000 2.617 6131 V HA 0.711 4.831 4.120 -0.000 0.000 0.298 6131 V C 0.578 176.709 176.094 0.062 0.000 1.048 6131 V CA -0.139 62.186 62.300 0.042 0.000 0.964 6131 V CB 1.410 33.236 31.823 0.004 0.000 1.004 6131 V HN 0.831 nan 8.190 nan 0.000 0.466 6132 A N 4.079 126.930 122.820 0.052 0.000 2.286 6132 A HA 0.471 4.790 4.320 -0.000 0.000 0.286 6132 A C -0.068 177.563 177.584 0.078 0.000 1.097 6132 A CA -0.405 51.666 52.037 0.056 0.000 0.821 6132 A CB 0.397 19.420 19.000 0.037 0.000 1.076 6132 A HN 1.027 nan 8.150 nan 0.000 0.490 6133 D N 0.029 120.477 120.400 0.080 0.000 2.424 6133 D HA 0.101 4.741 4.640 -0.000 0.000 0.244 6133 D C 0.682 177.055 176.300 0.121 0.000 1.134 6133 D CA -0.001 54.062 54.000 0.105 0.000 0.881 6133 D CB 0.166 41.020 40.800 0.089 0.000 1.191 6133 D HN 0.375 nan 8.370 nan 0.000 0.445 6134 F N 4.024 123.983 119.950 0.016 0.000 2.102 6134 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 6134 F C 2.075 177.881 175.800 0.011 0.000 1.105 6134 F CA 1.812 59.819 58.000 0.010 0.000 1.239 6134 F CB -0.517 38.487 39.000 0.007 0.000 0.991 6134 F HN 0.517 nan 8.300 nan 0.000 0.474 6135 A N -0.472 122.368 122.820 0.034 0.000 1.883 6135 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 6135 A C 2.395 179.910 177.584 -0.115 0.000 1.186 6135 A CA 1.893 53.888 52.037 -0.069 0.000 0.624 6135 A CB -1.669 17.354 19.000 0.038 0.000 0.822 6135 A HN 0.576 nan 8.150 nan 0.000 0.444 6136 C N -1.033 118.237 119.300 -0.049 0.000 2.413 6136 C HA -0.099 4.360 4.460 -0.000 0.000 0.276 6136 C C 3.055 177.997 174.990 -0.081 0.000 1.236 6136 C CA 1.569 60.562 59.018 -0.042 0.000 1.735 6136 C CB -1.627 26.116 27.740 0.005 0.000 2.031 6136 C HN 0.660 nan 8.230 nan 0.000 0.474 6137 T N 0.644 115.134 114.554 -0.108 0.000 2.708 6137 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 6137 T C 1.786 176.371 174.700 -0.193 0.000 1.037 6137 T CA 2.189 64.215 62.100 -0.124 0.000 1.146 6137 T CB -0.615 68.187 68.868 -0.109 0.000 0.865 6137 T HN 0.608 nan 8.240 nan 0.000 0.435 6138 T N 2.230 116.578 114.554 -0.344 0.000 2.652 6138 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 6138 T C 2.418 177.006 174.700 -0.187 0.000 1.039 6138 T CA 1.366 63.256 62.100 -0.349 0.000 1.153 6138 T CB -0.723 67.832 68.868 -0.521 0.000 0.863 6138 T HN 0.451 nan 8.240 nan 0.000 0.428 6139 A N 1.050 123.781 122.820 -0.149 0.000 1.917 6139 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 6139 A C 2.338 179.880 177.584 -0.070 0.000 1.182 6139 A CA 1.404 53.388 52.037 -0.088 0.000 0.633 6139 A CB -0.900 18.061 19.000 -0.065 0.000 0.819 6139 A HN 0.495 nan 8.150 nan 0.000 0.448 6140 L N -0.745 120.436 121.223 -0.071 0.000 2.056 6140 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 6140 L C 2.532 179.369 176.870 -0.055 0.000 1.078 6140 L CA 0.960 55.770 54.840 -0.051 0.000 0.749 6140 L CB -0.494 41.540 42.059 -0.041 0.000 0.901 6140 L HN 0.257 nan 8.230 nan 0.000 0.433 6141 V N -0.219 119.651 119.914 -0.073 0.000 2.295 6141 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 6141 V C 2.351 178.407 176.094 -0.062 0.000 1.049 6141 V CA 1.816 64.075 62.300 -0.069 0.000 1.024 6141 V CB -0.524 31.250 31.823 -0.082 0.000 0.648 6141 V HN 0.455 nan 8.190 nan 0.000 0.447 6142 E N 0.377 120.537 120.200 -0.066 0.000 2.106 6142 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 6142 E C 2.334 178.910 176.600 -0.041 0.000 0.984 6142 E CA 1.190 57.559 56.400 -0.052 0.000 0.806 6142 E CB -0.305 29.363 29.700 -0.053 0.000 0.750 6142 E HN 0.590 nan 8.360 nan 0.000 0.458 6143 A N 1.556 124.352 122.820 -0.039 0.000 1.972 6143 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 6143 A C 2.360 179.929 177.584 -0.026 0.000 1.169 6143 A CA 1.587 53.608 52.037 -0.027 0.000 0.635 6143 A CB -0.423 18.563 19.000 -0.023 0.000 0.810 6143 A HN 0.276 nan 8.150 nan 0.000 0.446 6144 A N -0.967 121.830 122.820 -0.038 0.000 2.014 6144 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 6144 A C 2.104 179.653 177.584 -0.058 0.000 1.163 6144 A CA 1.639 53.646 52.037 -0.050 0.000 0.652 6144 A CB -0.255 18.707 19.000 -0.063 0.000 0.808 6144 A HN 0.294 nan 8.150 nan 0.000 0.449 6145 K N 0.987 121.358 120.400 -0.049 0.000 2.062 6145 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 6145 K C 1.655 178.234 176.600 -0.035 0.000 1.051 6145 K CA 1.551 57.811 56.287 -0.046 0.000 0.941 6145 K CB -0.397 32.080 32.500 -0.040 0.000 0.719 6145 K HN 0.524 nan 8.250 nan 0.000 0.440 6146 S N 0.475 116.159 115.700 -0.026 0.000 2.840 6146 S HA 0.113 4.583 4.470 -0.000 0.000 0.235 6146 S C 1.106 175.701 174.600 -0.008 0.000 0.968 6146 S CA -0.158 58.032 58.200 -0.016 0.000 1.026 6146 S CB -0.127 63.066 63.200 -0.013 0.000 0.788 6146 S HN 0.174 nan 8.310 nan 0.000 0.487 6147 I N -0.395 120.167 120.570 -0.013 0.000 4.983 6147 I HA 0.260 4.430 4.170 -0.000 0.000 0.346 6147 I C 1.389 177.495 176.117 -0.017 0.000 1.261 6147 I CA 0.658 61.962 61.300 0.006 0.000 1.406 6147 I CB -0.416 37.600 38.000 0.025 0.000 1.529 6147 I HN 0.497 nan 8.210 nan 0.000 0.524 6148 G N 3.004 111.774 108.800 -0.049 0.000 2.273 6148 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.280 6148 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.280 6148 G C 0.451 175.265 174.900 -0.143 0.000 1.047 6148 G CA 0.505 45.562 45.100 -0.072 0.000 0.869 6148 G HN 0.649 nan 8.290 nan 0.000 0.502 6149 A N -0.074 122.622 122.820 -0.206 0.000 2.309 6149 A HA 0.746 5.065 4.320 -0.000 0.000 0.298 6149 A C 0.873 178.303 177.584 -0.256 0.000 1.165 6149 A CA 0.434 52.251 52.037 -0.366 0.000 0.821 6149 A CB 0.589 19.336 19.000 -0.422 0.000 1.102 6149 A HN 0.820 nan 8.150 nan 0.000 0.500 6150 T N 3.432 117.836 114.554 -0.251 0.000 2.800 6150 T HA 0.234 4.584 4.350 -0.000 0.000 0.266 6150 T C 0.284 174.811 174.700 -0.289 0.000 0.939 6150 T CA 0.881 62.844 62.100 -0.228 0.000 1.199 6150 T CB -0.777 68.000 68.868 -0.153 0.000 0.899 6150 T HN 0.620 nan 8.240 nan 0.000 0.555 6151 T N 4.886 119.248 114.554 -0.318 0.000 2.824 6151 T HA 0.363 4.713 4.350 -0.000 0.000 0.280 6151 T C -0.319 174.139 174.700 -0.404 0.000 0.995 6151 T CA -0.731 61.203 62.100 -0.277 0.000 1.009 6151 T CB 0.817 69.593 68.868 -0.153 0.000 0.955 6151 T HN 0.485 nan 8.240 nan 0.000 0.452 6152 H N 1.146 120.206 119.070 -0.018 0.000 2.609 6152 H HA 0.571 5.127 4.556 -0.000 0.000 0.344 6152 H C -0.832 174.490 175.328 -0.010 0.000 1.040 6152 H CA -0.554 55.492 56.048 -0.002 0.000 1.216 6152 H CB 1.904 31.664 29.762 -0.004 0.000 1.529 6152 H HN 0.466 nan 8.280 nan 0.000 0.519 6153 V N 2.226 122.205 119.914 0.108 0.000 2.487 6153 V HA 0.930 5.050 4.120 -0.000 0.000 0.298 6153 V C -0.274 175.850 176.094 0.050 0.000 1.028 6153 V CA 0.346 62.679 62.300 0.054 0.000 0.860 6153 V CB 1.169 33.005 31.823 0.020 0.000 0.991 6153 V HN 0.993 nan 8.190 nan 0.000 0.427 6154 G N 4.035 112.852 108.800 0.028 0.000 2.450 6154 G HA2 0.455 4.415 3.960 -0.000 0.000 0.273 6154 G HA3 0.455 4.415 3.960 -0.000 0.000 0.273 6154 G C -1.163 173.733 174.900 -0.007 0.000 1.221 6154 G CA 0.001 45.111 45.100 0.016 0.000 0.900 6154 G HN 1.128 nan 8.290 nan 0.000 0.483 6155 V N 0.876 120.777 119.914 -0.022 0.000 2.649 6155 V HA 0.600 4.720 4.120 -0.000 0.000 0.292 6155 V C 0.306 176.347 176.094 -0.090 0.000 1.055 6155 V CA 0.071 62.340 62.300 -0.051 0.000 1.023 6155 V CB 1.229 33.021 31.823 -0.051 0.000 0.992 6155 V HN 0.730 nan 8.190 nan 0.000 0.480 6156 T N 3.321 117.809 114.554 -0.109 0.000 2.863 6156 T HA 0.651 5.001 4.350 -0.000 0.000 0.285 6156 T C -0.175 174.403 174.700 -0.203 0.000 1.009 6156 T CA -0.302 61.714 62.100 -0.140 0.000 0.989 6156 T CB 1.684 70.503 68.868 -0.082 0.000 1.004 6156 T HN 0.903 nan 8.240 nan 0.000 0.455 6157 A N 2.175 124.834 122.820 -0.269 0.000 2.294 6157 A HA 0.599 4.919 4.320 -0.000 0.000 0.316 6157 A C 0.411 177.950 177.584 -0.075 0.000 1.359 6157 A CA -0.482 51.365 52.037 -0.317 0.000 0.956 6157 A CB 0.268 18.932 19.000 -0.560 0.000 1.155 6157 A HN 0.637 nan 8.150 nan 0.000 0.544 6158 S N 2.707 118.364 115.700 -0.072 0.000 2.415 6158 S HA 0.432 4.902 4.470 -0.000 0.000 0.313 6158 S C 0.251 174.854 174.600 0.006 0.000 1.067 6158 S CA -0.265 57.927 58.200 -0.013 0.000 1.099 6158 S CB 0.076 63.265 63.200 -0.018 0.000 0.991 6158 S HN 0.927 nan 8.310 nan 0.000 0.491 6159 S N 3.246 118.946 115.700 0.002 0.000 2.585 6159 S HA 0.327 4.797 4.470 -0.000 0.000 0.277 6159 S C 0.430 175.005 174.600 -0.041 0.000 1.241 6159 S CA -0.576 57.600 58.200 -0.040 0.000 1.041 6159 S CB 1.035 64.133 63.200 -0.170 0.000 0.987 6159 S HN 0.731 nan 8.310 nan 0.000 0.512 6160 D N 1.642 122.023 120.400 -0.031 0.000 2.328 6160 D HA 0.184 4.824 4.640 -0.000 0.000 0.226 6160 D C 0.343 176.626 176.300 -0.028 0.000 1.066 6160 D CA 0.496 54.488 54.000 -0.013 0.000 0.861 6160 D CB 0.218 41.027 40.800 0.015 0.000 0.912 6160 D HN 0.715 nan 8.370 nan 0.000 0.521 6161 T N -4.301 110.207 114.554 -0.076 0.000 2.868 6161 T HA 0.270 4.620 4.350 -0.000 0.000 0.306 6161 T C 0.206 174.856 174.700 -0.083 0.000 1.224 6161 T CA -0.823 61.248 62.100 -0.049 0.000 1.012 6161 T CB 0.933 69.754 68.868 -0.078 0.000 1.221 6161 T HN -0.142 nan 8.240 nan 0.000 0.499 6162 F N -0.299 119.531 119.950 -0.201 0.000 2.582 6162 F HA 0.314 4.840 4.527 -0.000 0.000 0.290 6162 F C 0.870 176.330 175.800 -0.566 0.000 1.115 6162 F CA 0.372 58.144 58.000 -0.380 0.000 1.445 6162 F CB 0.053 38.809 39.000 -0.408 0.000 1.126 6162 F HN 0.672 nan 8.300 nan 0.000 0.574 6163 Y N 1.018 121.301 120.300 -0.029 0.000 2.344 6163 Y HA 0.171 4.721 4.550 -0.000 0.000 0.261 6163 Y C -0.399 175.333 175.900 -0.280 0.000 1.080 6163 Y CA 0.541 58.569 58.100 -0.121 0.000 1.151 6163 Y CB -1.930 36.534 38.460 0.007 0.000 1.059 6163 Y HN -0.232 nan 8.280 nan 0.000 0.490 6164 P HA -0.166 nan 4.420 nan 0.000 0.215 6164 P C 1.597 178.584 177.300 -0.521 0.000 1.157 6164 P CA 2.410 65.364 63.100 -0.243 0.000 0.868 6164 P CB -0.301 31.313 31.700 -0.143 0.000 0.788 6165 G N 0.068 108.462 108.800 -0.678 0.000 2.475 6165 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 6165 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 6165 G C 1.441 175.881 174.900 -0.767 0.000 1.125 6165 G CA 0.515 44.973 45.100 -1.069 0.000 0.755 6165 G HN 0.403 nan 8.290 nan 0.000 0.565 6166 Q N -0.440 118.911 119.800 -0.747 0.000 2.212 6166 Q HA 0.232 4.572 4.340 -0.000 0.000 0.213 6166 Q C 0.143 175.772 176.000 -0.618 0.000 0.874 6166 Q CA -0.173 54.950 55.803 -1.132 0.000 0.965 6166 Q CB 0.311 28.245 28.738 -1.340 0.000 1.074 6166 Q HN 0.639 nan 8.270 nan 0.000 0.473 6167 E N 1.457 121.427 120.200 -0.385 0.000 2.269 6167 E HA -0.254 4.096 4.350 -0.000 0.000 0.223 6167 E C -0.913 175.480 176.600 -0.345 0.000 1.244 6167 E CA 0.075 56.306 56.400 -0.281 0.000 0.713 6167 E CB -0.289 29.395 29.700 -0.026 0.000 1.178 6167 E HN 0.335 nan 8.360 nan 0.000 0.370 6168 R N 0.069 120.373 120.500 -0.327 0.000 2.308 6168 R HA 0.152 4.492 4.340 -0.000 0.000 0.305 6168 R C 0.331 176.505 176.300 -0.211 0.000 1.053 6168 R CA -0.066 55.938 56.100 -0.160 0.000 0.957 6168 R CB 0.429 30.705 30.300 -0.040 0.000 1.022 6168 R HN 0.247 nan 8.270 nan 0.000 0.461 6169 Y N -0.266 120.078 120.300 0.072 0.000 2.481 6169 Y HA 0.035 4.585 4.550 -0.000 0.000 0.258 6169 Y C 0.754 176.695 175.900 0.067 0.000 1.103 6169 Y CA 0.064 58.201 58.100 0.062 0.000 1.287 6169 Y CB 0.673 39.158 38.460 0.041 0.000 1.108 6169 Y HN 0.475 nan 8.280 nan 0.000 0.529 6170 D N 2.089 122.617 120.400 0.214 0.000 2.662 6170 D HA 0.024 4.664 4.640 -0.000 0.000 0.228 6170 D C 0.211 176.586 176.300 0.124 0.000 1.093 6170 D CA 0.497 54.593 54.000 0.161 0.000 1.075 6170 D CB -0.035 40.863 40.800 0.162 0.000 1.122 6170 D HN 0.300 nan 8.370 nan 0.000 0.475 6171 T N -3.139 111.461 114.554 0.076 0.000 2.858 6171 T HA 0.142 4.492 4.350 -0.000 0.000 0.285 6171 T C 1.093 175.809 174.700 0.026 0.000 1.052 6171 T CA -0.846 61.251 62.100 -0.005 0.000 1.009 6171 T CB 1.176 70.019 68.868 -0.043 0.000 1.241 6171 T HN 0.141 nan 8.240 nan 0.000 0.542 6172 Y N 1.521 121.761 120.300 -0.101 0.000 2.070 6172 Y HA -0.166 4.383 4.550 -0.000 0.000 0.280 6172 Y C 2.818 178.700 175.900 -0.029 0.000 1.148 6172 Y CA 2.916 60.977 58.100 -0.065 0.000 1.125 6172 Y CB -0.478 37.932 38.460 -0.084 0.000 0.975 6172 Y HN 0.752 nan 8.280 nan 0.000 0.492 6173 S N -0.944 114.696 115.700 -0.100 0.000 2.414 6173 S HA 0.110 4.579 4.470 -0.000 0.000 0.227 6173 S C 1.902 176.457 174.600 -0.075 0.000 1.022 6173 S CA 0.800 58.903 58.200 -0.161 0.000 0.958 6173 S CB -0.595 62.611 63.200 0.010 0.000 0.797 6173 S HN 1.106 nan 8.310 nan 0.000 0.493 6174 G N 2.010 110.810 108.800 -0.000 0.000 2.162 6174 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 6174 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 6174 G C 0.062 175.059 174.900 0.162 0.000 0.976 6174 G CA 0.418 45.566 45.100 0.079 0.000 0.655 6174 G HN 1.022 nan 8.290 nan 0.000 0.533 6175 R N -1.291 119.269 120.500 0.100 0.000 2.873 6175 R HA 0.832 5.172 4.340 -0.000 0.000 0.264 6175 R C -1.132 175.200 176.300 0.053 0.000 1.026 6175 R CA -0.959 55.218 56.100 0.129 0.000 1.002 6175 R CB 2.168 32.521 30.300 0.087 0.000 1.174 6175 R HN 0.274 nan 8.270 nan 0.000 0.488 6176 V N 2.355 122.316 119.914 0.078 0.000 2.525 6176 V HA 0.202 4.322 4.120 -0.000 0.000 0.299 6176 V C 0.038 176.197 176.094 0.108 0.000 1.034 6176 V CA -1.018 61.295 62.300 0.020 0.000 0.863 6176 V CB 1.681 33.438 31.823 -0.109 0.000 0.999 6176 V HN 0.698 nan 8.190 nan 0.000 0.423 6177 V N 6.080 126.072 119.914 0.129 0.000 3.061 6177 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 6177 V C 1.906 178.078 176.094 0.130 0.000 1.118 6177 V CA 1.001 63.383 62.300 0.136 0.000 1.231 6177 V CB 0.801 32.724 31.823 0.167 0.000 0.956 6177 V HN 0.996 nan 8.190 nan 0.000 0.499 6178 R N 3.620 124.164 120.500 0.073 0.000 2.133 6178 R HA -0.239 4.101 4.340 -0.000 0.000 0.245 6178 R C 2.330 178.618 176.300 -0.021 0.000 1.137 6178 R CA 2.610 58.729 56.100 0.032 0.000 0.947 6178 R CB -0.425 29.881 30.300 0.009 0.000 0.865 6178 R HN 0.849 nan 8.270 nan 0.000 0.437 6179 R N -0.705 119.745 120.500 -0.084 0.000 2.154 6179 R HA -0.188 4.151 4.340 -0.000 0.000 0.248 6179 R C 1.280 177.292 176.300 -0.479 0.000 1.155 6179 R CA 2.133 58.045 56.100 -0.314 0.000 0.979 6179 R CB -0.191 29.833 30.300 -0.461 0.000 0.869 6179 R HN 0.329 nan 8.270 nan 0.000 0.452 6180 F N 0.081 120.048 119.950 0.028 0.000 2.678 6180 F HA 0.280 4.807 4.527 -0.000 0.000 0.305 6180 F C 0.381 176.188 175.800 0.012 0.000 1.090 6180 F CA -0.375 57.639 58.000 0.025 0.000 1.272 6180 F CB 0.420 39.438 39.000 0.030 0.000 1.060 6180 F HN -0.307 nan 8.300 nan 0.000 0.576 6181 K N 0.810 121.297 120.400 0.145 0.000 2.451 6181 K HA 0.225 4.544 4.320 -0.000 0.000 0.280 6181 K C 1.228 177.881 176.600 0.087 0.000 1.020 6181 K CA 0.836 57.213 56.287 0.150 0.000 1.008 6181 K CB 0.297 32.872 32.500 0.124 0.000 0.917 6181 K HN 0.374 nan 8.250 nan 0.000 0.478 6182 G N 1.866 110.738 108.800 0.120 0.000 2.166 6182 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.260 6182 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.260 6182 G C 0.882 175.756 174.900 -0.044 0.000 0.986 6182 G CA 0.929 46.054 45.100 0.042 0.000 0.683 6182 G HN 0.689 nan 8.290 nan 0.000 0.527 6183 S N -1.142 114.541 115.700 -0.028 0.000 2.453 6183 S HA 0.173 4.643 4.470 -0.000 0.000 0.231 6183 S C 2.145 176.576 174.600 -0.283 0.000 1.005 6183 S CA 1.307 59.371 58.200 -0.226 0.000 0.949 6183 S CB -0.128 63.092 63.200 0.032 0.000 0.774 6183 S HN 0.406 nan 8.310 nan 0.000 0.510 6184 M N 2.151 121.784 119.600 0.055 0.000 2.123 6184 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 6184 M C 2.559 178.892 176.300 0.055 0.000 1.069 6184 M CA 1.863 57.276 55.300 0.189 0.000 1.133 6184 M CB -0.507 32.252 32.600 0.264 0.000 1.356 6184 M HN 0.645 nan 8.290 nan 0.000 0.415 6185 E N -0.352 119.852 120.200 0.007 0.000 2.204 6185 E HA -0.264 4.085 4.350 -0.000 0.000 0.195 6185 E C 1.592 178.156 176.600 -0.060 0.000 0.990 6185 E CA 1.441 57.836 56.400 -0.009 0.000 0.821 6185 E CB -0.535 29.161 29.700 -0.007 0.000 0.750 6185 E HN 0.642 nan 8.360 nan 0.000 0.477 6186 E N 0.723 120.814 120.200 -0.182 0.000 2.047 6186 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 6186 E C 1.819 178.332 176.600 -0.145 0.000 0.987 6186 E CA 1.540 57.782 56.400 -0.264 0.000 0.799 6186 E CB -0.292 29.098 29.700 -0.516 0.000 0.752 6186 E HN 0.449 nan 8.360 nan 0.000 0.449 6187 W N 1.069 122.374 121.300 0.008 0.000 2.355 6187 W HA -0.181 4.479 4.660 -0.000 0.000 0.309 6187 W C 2.724 179.214 176.519 -0.049 0.000 1.206 6187 W CA 0.778 58.105 57.345 -0.031 0.000 1.284 6187 W CB -0.333 29.078 29.460 -0.082 0.000 1.145 6187 W HN 0.252 nan 8.180 nan 0.000 0.502 6188 Q N 0.738 120.636 119.800 0.163 0.000 2.045 6188 Q HA -0.273 4.066 4.340 -0.000 0.000 0.206 6188 Q C 2.381 178.418 176.000 0.062 0.000 0.991 6188 Q CA 2.300 58.148 55.803 0.075 0.000 0.851 6188 Q CB -0.494 28.271 28.738 0.045 0.000 0.911 6188 Q HN 0.270 nan 8.270 nan 0.000 0.418 6189 A N 0.382 123.229 122.820 0.045 0.000 1.978 6189 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 6189 A C 1.904 179.517 177.584 0.049 0.000 1.170 6189 A CA 1.652 53.708 52.037 0.031 0.000 0.636 6189 A CB -0.472 18.531 19.000 0.006 0.000 0.810 6189 A HN 0.488 nan 8.150 nan 0.000 0.448 6190 M N -1.359 118.293 119.600 0.086 0.000 2.618 6190 M HA 0.149 4.629 4.480 -0.000 0.000 0.240 6190 M C 1.324 177.674 176.300 0.085 0.000 1.123 6190 M CA 0.779 56.141 55.300 0.104 0.000 1.060 6190 M CB 0.109 32.822 32.600 0.188 0.000 1.535 6190 M HN 0.635 nan 8.290 nan 0.000 0.507 6191 G N 0.798 109.640 108.800 0.071 0.000 2.136 6191 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 6191 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 6191 G C 0.040 174.954 174.900 0.025 0.000 0.989 6191 G CA -0.235 44.894 45.100 0.047 0.000 0.682 6191 G HN 0.310 nan 8.290 nan 0.000 0.522 6192 V N 1.488 121.420 119.914 0.029 0.000 2.585 6192 V HA 0.212 4.332 4.120 -0.000 0.000 0.296 6192 V C 1.858 177.897 176.094 -0.091 0.000 1.035 6192 V CA 0.988 63.261 62.300 -0.046 0.000 1.084 6192 V CB 1.268 33.048 31.823 -0.072 0.000 0.953 6192 V HN 0.406 nan 8.190 nan 0.000 0.483 6193 M N 3.158 122.689 119.600 -0.115 0.000 2.160 6193 M HA 0.052 4.531 4.480 -0.000 0.000 0.264 6193 M C 0.810 177.001 176.300 -0.182 0.000 1.073 6193 M CA 1.314 56.531 55.300 -0.138 0.000 1.142 6193 M CB -0.014 32.527 32.600 -0.099 0.000 1.358 6193 M HN 0.960 nan 8.290 nan 0.000 0.422 6194 N N -2.035 116.543 118.700 -0.203 0.000 3.316 6194 N HA 0.230 4.970 4.740 -0.000 0.000 0.300 6194 N C -1.771 173.573 175.510 -0.277 0.000 1.567 6194 N CA -0.632 52.291 53.050 -0.211 0.000 0.821 6194 N CB 1.173 39.602 38.487 -0.096 0.000 1.748 6194 N HN -0.095 nan 8.380 nan 0.000 0.603 6195 Y N -0.620 119.622 120.300 -0.096 0.000 2.409 6195 Y HA 0.500 5.050 4.550 -0.000 0.000 0.343 6195 Y C -0.127 175.710 175.900 -0.105 0.000 0.973 6195 Y CA -0.389 57.638 58.100 -0.122 0.000 1.064 6195 Y CB 1.717 40.083 38.460 -0.157 0.000 1.207 6195 Y HN 0.819 nan 8.280 nan 0.000 0.452 6196 E N 0.207 120.464 120.200 0.096 0.000 2.449 6196 E HA 0.545 4.895 4.350 -0.000 0.000 0.278 6196 E C -1.443 175.171 176.600 0.022 0.000 1.059 6196 E CA -0.779 55.645 56.400 0.040 0.000 0.854 6196 E CB 1.247 30.962 29.700 0.025 0.000 1.465 6196 E HN 0.443 nan 8.360 nan 0.000 0.462 6197 M N 0.116 119.729 119.600 0.022 0.000 2.705 6197 M HA 0.381 4.860 4.480 -0.000 0.000 0.387 6197 M C -0.540 175.767 176.300 0.011 0.000 1.204 6197 M CA 0.158 55.466 55.300 0.013 0.000 0.905 6197 M CB 0.576 33.191 32.600 0.025 0.000 1.394 6197 M HN 0.608 nan 8.290 nan 0.000 0.515 6198 E N -1.318 118.886 120.200 0.007 0.000 2.626 6198 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 6198 E C 1.685 178.279 176.600 -0.010 0.000 0.950 6198 E CA 0.575 56.976 56.400 0.001 0.000 1.583 6198 E CB 0.319 30.023 29.700 0.007 0.000 1.881 6198 E HN 0.318 nan 8.360 nan 0.000 0.979 6199 S N 1.139 116.834 115.700 -0.007 0.000 2.370 6199 S HA -0.175 4.294 4.470 -0.000 0.000 0.226 6199 S C 2.206 176.798 174.600 -0.013 0.000 1.033 6199 S CA 1.131 59.324 58.200 -0.011 0.000 1.011 6199 S CB -0.401 62.793 63.200 -0.010 0.000 0.852 6199 S HN 0.262 nan 8.310 nan 0.000 0.457 6200 A N 1.942 124.757 122.820 -0.008 0.000 1.849 6200 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 6200 A C 2.569 180.157 177.584 0.007 0.000 1.202 6200 A CA 2.759 54.799 52.037 0.005 0.000 0.629 6200 A CB -1.936 17.070 19.000 0.010 0.000 0.834 6200 A HN 0.671 nan 8.150 nan 0.000 0.447 6201 T N -1.349 113.207 114.554 0.002 0.000 2.833 6201 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 6201 T C 1.785 176.422 174.700 -0.105 0.000 1.054 6201 T CA 1.705 63.801 62.100 -0.007 0.000 1.135 6201 T CB -0.454 68.424 68.868 0.018 0.000 0.869 6201 T HN 0.336 nan 8.240 nan 0.000 0.466 6202 L N 0.568 121.732 121.223 -0.099 0.000 1.988 6202 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 6202 L C 2.160 178.945 176.870 -0.142 0.000 1.071 6202 L CA 1.630 56.376 54.840 -0.156 0.000 0.744 6202 L CB -0.902 41.096 42.059 -0.100 0.000 0.893 6202 L HN 0.204 nan 8.230 nan 0.000 0.433 6203 L N -0.267 120.920 121.223 -0.060 0.000 2.083 6203 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 6203 L C 2.476 179.351 176.870 0.008 0.000 1.083 6203 L CA 2.037 56.869 54.840 -0.013 0.000 0.752 6203 L CB -1.977 40.095 42.059 0.021 0.000 0.899 6203 L HN 0.352 nan 8.230 nan 0.000 0.433 6204 T N -0.022 114.529 114.554 -0.005 0.000 2.732 6204 T HA -0.183 4.167 4.350 -0.000 0.000 0.261 6204 T C 1.846 176.450 174.700 -0.161 0.000 1.040 6204 T CA 1.632 63.741 62.100 0.015 0.000 1.145 6204 T CB -0.211 68.691 68.868 0.056 0.000 0.866 6204 T HN 0.460 nan 8.240 nan 0.000 0.427 6205 M N 0.371 119.752 119.600 -0.365 0.000 2.202 6205 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 6205 M C 2.252 178.285 176.300 -0.445 0.000 1.063 6205 M CA 1.560 56.403 55.300 -0.762 0.000 1.097 6205 M CB -1.197 30.491 32.600 -1.519 0.000 1.382 6205 M HN 0.189 nan 8.290 nan 0.000 0.413 6206 C N 1.226 120.358 119.300 -0.281 0.000 2.500 6206 C HA 0.187 4.647 4.460 -0.000 0.000 0.279 6206 C C 3.299 178.271 174.990 -0.030 0.000 1.288 6206 C CA 0.886 59.818 59.018 -0.144 0.000 1.710 6206 C CB -1.123 26.566 27.740 -0.085 0.000 2.052 6206 C HN 0.764 nan 8.230 nan 0.000 0.488 6207 A N 1.043 123.883 122.820 0.034 0.000 2.024 6207 A HA -0.142 4.177 4.320 -0.000 0.000 0.220 6207 A C 2.099 179.797 177.584 0.189 0.000 1.164 6207 A CA 2.201 54.341 52.037 0.173 0.000 0.643 6207 A CB -0.563 18.640 19.000 0.338 0.000 0.806 6207 A HN 0.726 nan 8.150 nan 0.000 0.451 6208 S N -2.098 113.582 115.700 -0.034 0.000 2.557 6208 S HA 0.227 4.697 4.470 -0.000 0.000 0.223 6208 S C 0.721 175.287 174.600 -0.057 0.000 0.969 6208 S CA -0.000 58.111 58.200 -0.147 0.000 0.927 6208 S CB 0.127 63.001 63.200 -0.543 0.000 0.806 6208 S HN 0.610 nan 8.310 nan 0.000 0.489 6209 Q N 0.544 120.327 119.800 -0.029 0.000 2.089 6209 Q HA 0.350 4.690 4.340 -0.000 0.000 0.248 6209 Q C 0.541 176.555 176.000 0.023 0.000 0.828 6209 Q CA -0.053 55.746 55.803 -0.006 0.000 1.102 6209 Q CB 0.932 29.651 28.738 -0.032 0.000 1.221 6209 Q HN 0.609 nan 8.270 nan 0.000 0.455 6210 G N 1.425 110.251 108.800 0.044 0.000 2.225 6210 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 6210 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 6210 G C -0.100 174.839 174.900 0.065 0.000 1.024 6210 G CA 0.364 45.498 45.100 0.056 0.000 0.784 6210 G HN 0.312 nan 8.290 nan 0.000 0.507 6211 L N -0.445 120.819 121.223 0.069 0.000 2.329 6211 L HA 0.598 4.938 4.340 -0.000 0.000 0.279 6211 L C 0.857 177.798 176.870 0.118 0.000 1.014 6211 L CA -1.117 53.792 54.840 0.115 0.000 0.814 6211 L CB 1.500 43.641 42.059 0.137 0.000 1.257 6211 L HN 0.081 nan 8.230 nan 0.000 0.424 6212 R N 2.168 122.750 120.500 0.136 0.000 2.297 6212 R HA 0.754 5.094 4.340 -0.000 0.000 0.308 6212 R C -0.616 175.778 176.300 0.156 0.000 1.029 6212 R CA -0.461 55.709 56.100 0.116 0.000 0.929 6212 R CB 1.524 31.873 30.300 0.082 0.000 1.046 6212 R HN 0.688 nan 8.270 nan 0.000 0.461 6213 A N 1.442 124.332 122.820 0.118 0.000 2.475 6213 A HA 0.808 5.128 4.320 -0.000 0.000 0.301 6213 A C -0.694 176.934 177.584 0.074 0.000 1.059 6213 A CA -0.677 51.431 52.037 0.120 0.000 0.710 6213 A CB 2.198 21.243 19.000 0.076 0.000 1.288 6213 A HN 0.759 nan 8.150 nan 0.000 0.408 6214 G N -0.269 108.572 108.800 0.069 0.000 2.574 6214 G HA2 0.699 4.659 3.960 -0.000 0.000 0.299 6214 G HA3 0.699 4.659 3.960 -0.000 0.000 0.299 6214 G C -1.183 173.738 174.900 0.034 0.000 1.298 6214 G CA -0.531 44.591 45.100 0.037 0.000 0.952 6214 G HN 1.214 nan 8.290 nan 0.000 0.477 6215 M N 1.649 121.260 119.600 0.018 0.000 2.322 6215 M HA 0.735 5.215 4.480 -0.000 0.000 0.286 6215 M C -1.893 174.413 176.300 0.008 0.000 1.111 6215 M CA -0.825 54.484 55.300 0.016 0.000 0.941 6215 M CB 1.987 34.593 32.600 0.012 0.000 1.671 6215 M HN 0.904 nan 8.290 nan 0.000 0.470 6216 V N 3.650 123.571 119.914 0.011 0.000 3.087 6216 V HA 1.055 5.175 4.120 -0.000 0.000 0.306 6216 V C -1.877 174.225 176.094 0.014 0.000 1.187 6216 V CA 0.286 62.591 62.300 0.009 0.000 0.999 6216 V CB 2.127 33.953 31.823 0.006 0.000 1.049 6216 V HN 1.386 nan 8.190 nan 0.000 0.431 6217 A N 3.186 126.015 122.820 0.015 0.000 2.594 6217 A HA 0.951 5.271 4.320 -0.000 0.000 0.291 6217 A C -0.324 177.274 177.584 0.023 0.000 1.105 6217 A CA -0.200 51.849 52.037 0.019 0.000 0.694 6217 A CB 1.827 20.838 19.000 0.018 0.000 1.291 6217 A HN 1.808 nan 8.150 nan 0.000 0.410 6218 G N -0.201 108.616 108.800 0.027 0.000 2.343 6218 G HA2 0.537 4.497 3.960 -0.000 0.000 0.319 6218 G HA3 0.537 4.497 3.960 -0.000 0.000 0.319 6218 G C -0.639 174.280 174.900 0.031 0.000 1.126 6218 G CA -0.387 44.733 45.100 0.034 0.000 0.889 6218 G HN 0.912 nan 8.290 nan 0.000 0.457 6219 V N 3.719 123.652 119.914 0.031 0.000 2.439 6219 V HA 0.092 4.212 4.120 -0.000 0.000 0.271 6219 V C 1.392 177.503 176.094 0.028 0.000 1.040 6219 V CA 0.112 62.426 62.300 0.024 0.000 1.002 6219 V CB 0.708 32.540 31.823 0.016 0.000 1.000 6219 V HN 0.761 nan 8.190 nan 0.000 0.477 6220 I N 3.421 124.010 120.570 0.031 0.000 4.057 6220 I HA 0.532 4.702 4.170 -0.000 0.000 0.334 6220 I C 0.182 176.320 176.117 0.035 0.000 1.308 6220 I CA 0.272 61.593 61.300 0.035 0.000 1.125 6220 I CB 1.076 39.100 38.000 0.041 0.000 1.034 6220 I HN 0.427 nan 8.210 nan 0.000 0.401 6221 V N 1.401 121.332 119.914 0.029 0.000 3.098 6221 V HA 0.420 4.540 4.120 -0.000 0.000 0.294 6221 V C -1.848 174.254 176.094 0.013 0.000 1.351 6221 V CA -0.605 61.710 62.300 0.026 0.000 0.999 6221 V CB 2.290 34.134 31.823 0.034 0.000 1.104 6221 V HN 0.350 nan 8.190 nan 0.000 0.438 6222 N N 4.979 123.685 118.700 0.011 0.000 2.558 6222 N HA 0.347 5.086 4.740 -0.000 0.000 0.242 6222 N C 0.759 176.277 175.510 0.013 0.000 0.979 6222 N CA -0.580 52.469 53.050 -0.001 0.000 0.931 6222 N CB 1.327 39.808 38.487 -0.010 0.000 1.122 6222 N HN 0.623 nan 8.380 nan 0.000 0.508 6223 R N 0.707 121.222 120.500 0.024 0.000 2.355 6223 R HA -0.071 4.269 4.340 -0.000 0.000 0.219 6223 R C 1.329 177.660 176.300 0.052 0.000 1.107 6223 R CA 0.911 57.041 56.100 0.050 0.000 1.021 6223 R CB -0.943 29.419 30.300 0.103 0.000 0.852 6223 R HN 0.630 nan 8.270 nan 0.000 0.475 6224 T N -3.408 111.164 114.554 0.031 0.000 3.169 6224 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 6224 T C 1.314 176.032 174.700 0.030 0.000 1.111 6224 T CA 0.293 62.412 62.100 0.032 0.000 1.010 6224 T CB 0.300 69.178 68.868 0.018 0.000 0.984 6224 T HN 0.249 nan 8.240 nan 0.000 0.537 6225 Q N 0.129 119.947 119.800 0.031 0.000 2.577 6225 Q HA 0.264 4.604 4.340 -0.000 0.000 0.242 6225 Q C 0.282 176.304 176.000 0.036 0.000 0.818 6225 Q CA -0.086 55.735 55.803 0.030 0.000 0.962 6225 Q CB 0.764 29.516 28.738 0.024 0.000 1.272 6225 Q HN 0.749 nan 8.270 nan 0.000 0.593 6226 Q N -0.984 118.840 119.800 0.040 0.000 2.534 6226 Q HA 0.371 4.710 4.340 -0.000 0.000 0.290 6226 Q C -0.474 175.554 176.000 0.047 0.000 0.991 6226 Q CA -0.574 55.257 55.803 0.047 0.000 0.783 6226 Q CB 1.215 29.979 28.738 0.045 0.000 1.470 6226 Q HN -0.073 nan 8.270 nan 0.000 0.406 6227 E N 0.185 120.420 120.200 0.058 0.000 2.140 6227 E HA 0.119 4.469 4.350 -0.000 0.000 0.191 6227 E C 0.213 176.844 176.600 0.051 0.000 0.973 6227 E CA 0.610 57.035 56.400 0.042 0.000 0.829 6227 E CB 0.505 30.250 29.700 0.074 0.000 0.781 6227 E HN 0.399 nan 8.360 nan 0.000 0.466 6228 I N 2.539 123.162 120.570 0.089 0.000 2.433 6228 I HA 0.279 4.448 4.170 -0.000 0.000 0.292 6228 I C -2.302 173.864 176.117 0.082 0.000 1.001 6228 I CA -2.823 58.545 61.300 0.114 0.000 1.119 6228 I CB 1.304 39.387 38.000 0.139 0.000 1.289 6228 I HN -0.150 nan 8.210 nan 0.000 0.438 6229 P HA 0.308 nan 4.420 nan 0.000 0.276 6229 P C -0.497 176.833 177.300 0.049 0.000 1.261 6229 P CA -0.311 62.823 63.100 0.056 0.000 0.800 6229 P CB 1.314 33.046 31.700 0.054 0.000 1.066 6230 N N -1.052 117.671 118.700 0.038 0.000 2.171 6230 N HA 0.147 4.887 4.740 -0.000 0.000 0.212 6230 N C 0.250 175.775 175.510 0.025 0.000 1.184 6230 N CA -0.228 52.841 53.050 0.031 0.000 0.888 6230 N CB 0.581 39.085 38.487 0.028 0.000 1.038 6230 N HN 0.369 nan 8.380 nan 0.000 0.517 6231 A N 1.646 124.481 122.820 0.026 0.000 2.362 6231 A HA 0.197 4.517 4.320 -0.000 0.000 0.276 6231 A C 0.263 177.856 177.584 0.016 0.000 1.153 6231 A CA -0.285 51.764 52.037 0.021 0.000 0.813 6231 A CB 0.378 19.391 19.000 0.022 0.000 1.081 6231 A HN -0.024 nan 8.150 nan 0.000 0.507 6232 E N 2.409 122.616 120.200 0.012 0.000 2.188 6232 E HA -0.052 4.298 4.350 -0.000 0.000 0.243 6232 E C 1.544 178.145 176.600 0.003 0.000 1.269 6232 E CA 0.788 57.192 56.400 0.006 0.000 0.979 6232 E CB -0.545 29.157 29.700 0.003 0.000 1.076 6232 E HN 0.807 nan 8.360 nan 0.000 0.452 6233 T N 2.183 116.739 114.554 0.002 0.000 2.856 6233 T HA -0.263 4.087 4.350 -0.000 0.000 0.260 6233 T C 0.869 175.564 174.700 -0.009 0.000 1.043 6233 T CA 2.076 64.176 62.100 -0.001 0.000 1.155 6233 T CB -0.088 68.778 68.868 -0.004 0.000 0.825 6233 T HN 0.395 nan 8.240 nan 0.000 0.503 6234 M N -1.352 118.240 119.600 -0.014 0.000 4.445 6234 M HA 0.573 5.053 4.480 -0.000 0.000 0.516 6234 M C -0.312 175.971 176.300 -0.027 0.000 2.177 6234 M CA -1.202 54.085 55.300 -0.022 0.000 0.440 6234 M CB 0.742 33.327 32.600 -0.025 0.000 1.599 6234 M HN -0.201 nan 8.290 nan 0.000 0.571 6235 K N 1.757 122.140 120.400 -0.027 0.000 2.214 6235 K HA 0.405 4.725 4.320 -0.000 0.000 0.210 6235 K C -0.206 176.368 176.600 -0.044 0.000 1.036 6235 K CA 1.066 57.334 56.287 -0.032 0.000 0.958 6235 K CB 0.224 32.709 32.500 -0.026 0.000 0.973 6235 K HN 0.797 nan 8.250 nan 0.000 0.466 6236 Q N -0.590 119.181 119.800 -0.050 0.000 3.181 6236 Q HA 0.289 4.629 4.340 -0.000 0.000 0.193 6236 Q C -0.700 175.254 176.000 -0.077 0.000 0.816 6236 Q CA -0.121 55.636 55.803 -0.076 0.000 1.261 6236 Q CB 0.275 28.958 28.738 -0.092 0.000 1.597 6236 Q HN -0.058 nan 8.270 nan 0.000 0.607 6237 T N -0.225 114.294 114.554 -0.058 0.000 3.511 6237 T HA 0.023 4.372 4.350 -0.000 0.000 0.220 6237 T C 0.568 175.272 174.700 0.006 0.000 0.962 6237 T CA 0.496 62.584 62.100 -0.020 0.000 1.099 6237 T CB 0.141 69.011 68.868 0.003 0.000 1.197 6237 T HN 0.608 nan 8.240 nan 0.000 0.343 6238 E N 3.008 123.215 120.200 0.013 0.000 2.416 6238 E HA 0.074 4.424 4.350 -0.000 0.000 0.189 6238 E C 1.471 178.081 176.600 0.018 0.000 1.091 6238 E CA 0.384 56.806 56.400 0.037 0.000 0.889 6238 E CB -0.420 29.297 29.700 0.028 0.000 1.015 6238 E HN 0.560 nan 8.360 nan 0.000 0.479 6239 S N 0.232 115.911 115.700 -0.035 0.000 2.453 6239 S HA -0.152 4.317 4.470 -0.000 0.000 0.231 6239 S C 1.702 176.283 174.600 -0.031 0.000 1.005 6239 S CA 0.352 58.517 58.200 -0.059 0.000 0.949 6239 S CB -0.591 62.543 63.200 -0.111 0.000 0.774 6239 S HN 0.282 nan 8.310 nan 0.000 0.510 6240 H N 2.245 121.306 119.070 -0.015 0.000 2.321 6240 H HA -0.061 4.495 4.556 -0.000 0.000 0.295 6240 H C 2.619 177.937 175.328 -0.016 0.000 1.102 6240 H CA 1.689 57.727 56.048 -0.016 0.000 1.266 6240 H CB -0.895 28.858 29.762 -0.015 0.000 1.363 6240 H HN 0.596 nan 8.280 nan 0.000 0.492 6241 A N 0.457 123.350 122.820 0.121 0.000 1.883 6241 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 6241 A C 2.925 180.529 177.584 0.035 0.000 1.186 6241 A CA 1.978 54.050 52.037 0.058 0.000 0.624 6241 A CB -0.906 18.119 19.000 0.042 0.000 0.822 6241 A HN 0.237 nan 8.150 nan 0.000 0.444 6242 V N 0.548 120.475 119.914 0.022 0.000 2.295 6242 V HA -0.243 3.876 4.120 -0.000 0.000 0.246 6242 V C 2.636 178.731 176.094 0.003 0.000 1.049 6242 V CA 2.200 64.502 62.300 0.002 0.000 1.024 6242 V CB -0.680 31.132 31.823 -0.017 0.000 0.648 6242 V HN 0.541 nan 8.190 nan 0.000 0.447 6243 K N 0.943 121.349 120.400 0.009 0.000 2.044 6243 K HA -0.193 4.126 4.320 -0.000 0.000 0.210 6243 K C 2.149 178.759 176.600 0.017 0.000 1.049 6243 K CA 2.439 58.732 56.287 0.011 0.000 0.927 6243 K CB -0.559 31.955 32.500 0.023 0.000 0.713 6243 K HN 0.684 nan 8.250 nan 0.000 0.443 6244 I N -1.695 118.892 120.570 0.029 0.000 2.493 6244 I HA -0.131 4.039 4.170 -0.000 0.000 0.254 6244 I C 2.082 178.201 176.117 0.002 0.000 1.160 6244 I CA 0.911 62.219 61.300 0.014 0.000 1.445 6244 I CB -0.307 37.699 38.000 0.010 0.000 1.086 6244 I HN -0.142 nan 8.210 nan 0.000 0.433 6245 V N 0.896 120.813 119.914 0.005 0.000 2.548 6245 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 6245 V C 2.454 178.547 176.094 -0.002 0.000 1.055 6245 V CA 1.649 63.950 62.300 0.002 0.000 1.065 6245 V CB 0.127 31.953 31.823 0.006 0.000 0.681 6245 V HN 0.416 nan 8.190 nan 0.000 0.462 6246 V N 0.192 120.104 119.914 -0.004 0.000 2.255 6246 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 6246 V C 2.503 178.592 176.094 -0.007 0.000 1.038 6246 V CA 2.150 64.446 62.300 -0.007 0.000 1.008 6246 V CB -0.731 31.086 31.823 -0.009 0.000 0.645 6246 V HN 0.696 nan 8.190 nan 0.000 0.449 6247 E N 1.159 121.355 120.200 -0.006 0.000 2.130 6247 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 6247 E C 1.965 178.557 176.600 -0.012 0.000 0.998 6247 E CA 1.981 58.377 56.400 -0.007 0.000 0.806 6247 E CB -0.461 29.237 29.700 -0.004 0.000 0.738 6247 E HN 0.525 nan 8.360 nan 0.000 0.459 6248 A N 0.774 123.586 122.820 -0.014 0.000 1.873 6248 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 6248 A C 2.510 180.083 177.584 -0.019 0.000 1.186 6248 A CA 2.021 54.046 52.037 -0.020 0.000 0.616 6248 A CB -1.159 17.828 19.000 -0.021 0.000 0.823 6248 A HN 0.428 nan 8.150 nan 0.000 0.442 6249 A N -0.083 122.728 122.820 -0.015 0.000 1.892 6249 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 6249 A C 2.216 179.789 177.584 -0.018 0.000 1.188 6249 A CA 1.720 53.746 52.037 -0.018 0.000 0.631 6249 A CB -0.598 18.393 19.000 -0.015 0.000 0.822 6249 A HN 0.541 nan 8.150 nan 0.000 0.447 6250 R N -0.777 119.714 120.500 -0.014 0.000 2.119 6250 R HA -0.212 4.128 4.340 -0.000 0.000 0.246 6250 R C 2.365 178.657 176.300 -0.013 0.000 1.146 6250 R CA 2.050 58.142 56.100 -0.012 0.000 0.962 6250 R CB -0.311 29.983 30.300 -0.010 0.000 0.863 6250 R HN 0.562 nan 8.270 nan 0.000 0.442 6251 R N 0.101 120.591 120.500 -0.016 0.000 2.153 6251 R HA 0.011 4.351 4.340 -0.000 0.000 0.218 6251 R C 1.940 178.230 176.300 -0.017 0.000 1.072 6251 R CA 0.730 56.819 56.100 -0.017 0.000 0.990 6251 R CB -0.052 30.234 30.300 -0.023 0.000 0.889 6251 R HN 0.178 nan 8.270 nan 0.000 0.452 6252 L N 0.827 122.039 121.223 -0.019 0.000 2.599 6252 L HA 0.120 4.460 4.340 -0.000 0.000 0.230 6252 L C 0.508 177.367 176.870 -0.018 0.000 1.141 6252 L CA -0.028 54.801 54.840 -0.018 0.000 0.877 6252 L CB -0.114 41.932 42.059 -0.021 0.000 1.009 6252 L HN 0.076 nan 8.230 nan 0.000 0.447 6253 L N 0.000 121.212 121.223 -0.018 0.000 2.949 6253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 6253 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 6253 L CB 0.000 42.049 42.059 -0.016 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502