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 2rj3_1_A DATA FIRST_RESID 1004 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.605 174.600 0.009 0.000 1.055 1004 S CA 0.000 58.201 58.200 0.002 0.000 1.107 1004 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 1005 D N 0.902 121.314 120.400 0.019 0.000 2.269 1005 D HA 0.103 4.743 4.640 0.001 0.000 0.208 1005 D C 1.259 177.585 176.300 0.043 0.000 0.963 1005 D CA 1.735 55.752 54.000 0.028 0.000 0.864 1005 D CB -0.113 40.703 40.800 0.028 0.000 0.936 1005 D HN 0.777 nan 8.370 nan 0.000 0.505 1006 V N -2.783 117.158 119.914 0.044 0.000 3.019 1006 V HA 0.394 4.514 4.120 0.001 0.000 0.317 1006 V C 0.738 176.875 176.094 0.072 0.000 1.094 1006 V CA -1.041 61.304 62.300 0.074 0.000 1.000 1006 V CB 1.704 33.567 31.823 0.067 0.000 1.060 1006 V HN -0.119 nan 8.190 nan 0.000 0.443 1007 F N 0.726 120.649 119.950 -0.045 0.000 2.219 1007 F HA 0.139 4.666 4.527 0.001 0.000 0.294 1007 F C 1.973 177.628 175.800 -0.241 0.000 1.086 1007 F CA 2.094 60.003 58.000 -0.151 0.000 1.330 1007 F CB 0.023 38.905 39.000 -0.196 0.000 1.047 1007 F HN 0.796 nan 8.300 nan 0.000 0.495 1008 H N -1.447 117.595 119.070 -0.046 0.000 2.439 1008 H HA 0.142 4.698 4.556 0.001 0.000 0.299 1008 H C 1.746 177.027 175.328 -0.078 0.000 1.033 1008 H CA 1.017 56.997 56.048 -0.113 0.000 1.348 1008 H CB -0.130 29.585 29.762 -0.079 0.000 1.449 1008 H HN 0.105 nan 8.280 nan 0.000 0.544 1009 L N -0.268 120.975 121.223 0.033 0.000 2.313 1009 L HA 0.168 4.509 4.340 0.001 0.000 0.214 1009 L C 1.327 178.337 176.870 0.233 0.000 1.119 1009 L CA 1.377 56.262 54.840 0.077 0.000 0.809 1009 L CB -0.566 41.481 42.059 -0.020 0.000 0.933 1009 L HN 0.547 nan 8.230 nan 0.000 0.449 1010 G N -0.029 108.862 108.800 0.152 0.000 2.246 1010 G HA2 -0.264 3.697 3.960 0.001 0.000 0.273 1010 G HA3 -0.264 3.697 3.960 0.001 0.000 0.273 1010 G C -0.058 174.919 174.900 0.127 0.000 1.055 1010 G CA 0.359 45.571 45.100 0.187 0.000 0.851 1010 G HN 0.263 nan 8.290 nan 0.000 0.500 1011 L N -0.621 120.644 121.223 0.070 0.000 2.370 1011 L HA 0.817 5.157 4.340 0.001 0.000 0.266 1011 L C 0.373 177.261 176.870 0.030 0.000 1.002 1011 L CA -0.868 53.999 54.840 0.045 0.000 0.818 1011 L CB 2.462 44.547 42.059 0.044 0.000 1.325 1011 L HN 0.186 nan 8.230 nan 0.000 0.418 1012 T N -0.417 114.149 114.554 0.020 0.000 2.950 1012 T HA 0.293 4.644 4.350 0.001 0.000 0.288 1012 T C 0.868 175.576 174.700 0.012 0.000 1.035 1012 T CA -0.524 61.585 62.100 0.015 0.000 1.028 1012 T CB 1.527 70.400 68.868 0.009 0.000 1.109 1012 T HN 0.601 nan 8.240 nan 0.000 0.514 1013 K N 1.334 121.741 120.400 0.012 0.000 2.147 1013 K HA -0.112 4.209 4.320 0.001 0.000 0.205 1013 K C 2.104 178.706 176.600 0.004 0.000 1.049 1013 K CA 1.044 57.337 56.287 0.009 0.000 0.936 1013 K CB -0.094 32.412 32.500 0.010 0.000 0.722 1013 K HN 0.523 nan 8.250 nan 0.000 0.446 1014 N N 1.280 119.981 118.700 0.002 0.000 2.104 1014 N HA -0.193 4.548 4.740 0.001 0.000 0.190 1014 N C 1.101 176.608 175.510 -0.005 0.000 1.024 1014 N CA 1.223 54.271 53.050 -0.002 0.000 0.853 1014 N CB 0.036 38.521 38.487 -0.004 0.000 1.008 1014 N HN 0.127 nan 8.380 nan 0.000 0.424 1015 D N 0.736 121.133 120.400 -0.005 0.000 2.190 1015 D HA -0.155 4.486 4.640 0.001 0.000 0.200 1015 D C 1.837 178.133 176.300 -0.006 0.000 0.992 1015 D CA 0.743 54.737 54.000 -0.010 0.000 0.854 1015 D CB -0.086 40.710 40.800 -0.007 0.000 0.936 1015 D HN 0.284 nan 8.370 nan 0.000 0.462 1016 L N 0.364 121.587 121.223 -0.001 0.000 2.313 1016 L HA -0.012 4.328 4.340 0.001 0.000 0.214 1016 L C 0.862 177.730 176.870 -0.004 0.000 1.119 1016 L CA 0.605 55.444 54.840 -0.001 0.000 0.809 1016 L CB -0.278 41.779 42.059 -0.003 0.000 0.933 1016 L HN -0.034 nan 8.230 nan 0.000 0.449 1017 Q N -0.069 119.728 119.800 -0.005 0.000 2.453 1017 Q HA -0.265 4.076 4.340 0.001 0.000 0.294 1017 Q C 1.206 177.202 176.000 -0.007 0.000 1.295 1017 Q CA 0.926 56.726 55.803 -0.005 0.000 0.853 1017 Q CB -2.153 26.582 28.738 -0.005 0.000 1.193 1017 Q HN 0.682 nan 8.270 nan 0.000 0.461 1018 G N -1.960 106.835 108.800 -0.008 0.000 2.159 1018 G HA2 -0.276 3.684 3.960 0.001 0.000 0.256 1018 G HA3 -0.276 3.684 3.960 0.001 0.000 0.256 1018 G C 0.352 175.242 174.900 -0.018 0.000 0.977 1018 G CA 0.442 45.536 45.100 -0.011 0.000 0.652 1018 G HN 1.224 nan 8.290 nan 0.000 0.531 1019 A N -0.379 122.429 122.820 -0.020 0.000 2.511 1019 A HA 0.576 4.896 4.320 0.001 0.000 0.242 1019 A C 1.036 178.588 177.584 -0.053 0.000 1.069 1019 A CA 1.355 53.372 52.037 -0.032 0.000 0.763 1019 A CB 0.221 19.205 19.000 -0.027 0.000 1.001 1019 A HN 0.595 nan 8.150 nan 0.000 0.498 1020 Q N 0.838 120.595 119.800 -0.072 0.000 2.140 1020 Q HA 0.314 4.654 4.340 0.001 0.000 0.227 1020 Q C -0.597 175.300 176.000 -0.172 0.000 0.798 1020 Q CA -0.048 55.692 55.803 -0.105 0.000 0.987 1020 Q CB 0.735 29.429 28.738 -0.073 0.000 1.161 1020 Q HN 0.715 nan 8.270 nan 0.000 0.480 1021 L N 0.843 121.974 121.223 -0.153 0.000 2.346 1021 L HA 0.791 5.131 4.340 0.001 0.000 0.276 1021 L C -1.520 175.241 176.870 -0.183 0.000 1.006 1021 L CA -0.641 54.087 54.840 -0.187 0.000 0.817 1021 L CB 1.603 43.597 42.059 -0.108 0.000 1.272 1021 L HN -0.066 nan 8.230 nan 0.000 0.421 1022 A N 5.877 128.546 122.820 -0.252 0.000 2.343 1022 A HA 0.696 5.016 4.320 0.001 0.000 0.316 1022 A C -0.918 176.659 177.584 -0.012 0.000 1.104 1022 A CA -0.528 51.438 52.037 -0.119 0.000 0.768 1022 A CB 0.901 19.828 19.000 -0.121 0.000 1.213 1022 A HN 0.661 nan 8.150 nan 0.000 0.456 1023 I N 2.860 123.448 120.570 0.029 0.000 2.315 1023 I HA 0.347 4.517 4.170 0.001 0.000 0.291 1023 I C -0.119 176.050 176.117 0.086 0.000 1.006 1023 I CA -0.611 60.720 61.300 0.051 0.000 1.265 1023 I CB 1.728 39.744 38.000 0.027 0.000 1.387 1023 I HN 0.461 nan 8.210 nan 0.000 0.475 1024 V N 5.581 125.558 119.914 0.105 0.000 2.266 1024 V HA 0.473 4.593 4.120 0.001 0.000 0.266 1024 V C -2.497 173.643 176.094 0.076 0.000 1.036 1024 V CA -1.913 60.457 62.300 0.117 0.000 0.828 1024 V CB 0.189 32.112 31.823 0.166 0.000 1.081 1024 V HN 0.459 nan 8.190 nan 0.000 0.449 1025 P HA 0.281 nan 4.420 nan 0.000 0.274 1025 P C 1.039 178.360 177.300 0.036 0.000 1.246 1025 P CA 0.363 63.483 63.100 0.033 0.000 0.795 1025 P CB 1.758 33.466 31.700 0.013 0.000 1.006 1026 G N 0.220 109.032 108.800 0.019 0.000 2.396 1026 G HA2 -0.097 3.864 3.960 0.001 0.000 0.214 1026 G HA3 -0.097 3.864 3.960 0.001 0.000 0.214 1026 G C 0.343 175.240 174.900 -0.005 0.000 1.166 1026 G CA 0.436 45.543 45.100 0.011 0.000 0.793 1026 G HN 0.526 nan 8.290 nan 0.000 0.533 1027 D N 0.774 121.168 120.400 -0.011 0.000 2.317 1027 D HA 0.203 4.844 4.640 0.001 0.000 0.252 1027 D C -1.097 175.192 176.300 -0.017 0.000 1.174 1027 D CA -2.385 51.601 54.000 -0.023 0.000 0.866 1027 D CB 2.010 42.793 40.800 -0.027 0.000 1.127 1027 D HN 0.026 nan 8.370 nan 0.000 0.467 1028 P HA -0.119 nan 4.420 nan 0.000 0.222 1028 P C 0.499 177.797 177.300 -0.004 0.000 1.147 1028 P CA 0.969 64.070 63.100 0.001 0.000 0.790 1028 P CB 0.384 32.078 31.700 -0.011 0.000 0.780 1029 E N -0.577 119.609 120.200 -0.024 0.000 2.427 1029 E HA -0.035 4.315 4.350 0.001 0.000 0.196 1029 E C 2.204 178.761 176.600 -0.072 0.000 1.028 1029 E CA 0.122 56.500 56.400 -0.037 0.000 0.864 1029 E CB -0.219 29.462 29.700 -0.033 0.000 0.813 1029 E HN 0.183 nan 8.360 nan 0.000 0.514 1030 R N 0.614 121.074 120.500 -0.068 0.000 2.210 1030 R HA -0.018 4.322 4.340 0.001 0.000 0.203 1030 R C 1.916 178.135 176.300 -0.135 0.000 1.010 1030 R CA 0.233 56.281 56.100 -0.087 0.000 1.008 1030 R CB 0.212 30.480 30.300 -0.052 0.000 0.923 1030 R HN 0.022 nan 8.270 nan 0.000 0.469 1031 V N 1.311 121.145 119.914 -0.133 0.000 2.252 1031 V HA -0.313 3.807 4.120 0.001 0.000 0.249 1031 V C 2.256 178.064 176.094 -0.477 0.000 1.056 1031 V CA 2.374 64.565 62.300 -0.183 0.000 1.022 1031 V CB -0.576 31.220 31.823 -0.046 0.000 0.641 1031 V HN 0.470 nan 8.190 nan 0.000 0.445 1032 E N 0.130 119.900 120.200 -0.717 0.000 2.058 1032 E HA -0.275 4.075 4.350 0.001 0.000 0.194 1032 E C 2.303 178.531 176.600 -0.620 0.000 0.997 1032 E CA 1.573 57.298 56.400 -1.126 0.000 0.801 1032 E CB -0.099 29.086 29.700 -0.858 0.000 0.746 1032 E HN 0.578 nan 8.360 nan 0.000 0.450 1033 K N 0.057 120.244 120.400 -0.355 0.000 2.063 1033 K HA -0.170 4.150 4.320 0.001 0.000 0.208 1033 K C 2.184 178.675 176.600 -0.183 0.000 1.048 1033 K CA 1.642 57.798 56.287 -0.218 0.000 0.928 1033 K CB -0.165 32.249 32.500 -0.142 0.000 0.713 1033 K HN 0.232 nan 8.250 nan 0.000 0.442 1034 I N 0.622 121.085 120.570 -0.178 0.000 2.252 1034 I HA -0.232 3.938 4.170 0.001 0.000 0.245 1034 I C 2.357 178.403 176.117 -0.117 0.000 1.102 1034 I CA 1.044 62.274 61.300 -0.117 0.000 1.385 1034 I CB -0.252 37.698 38.000 -0.083 0.000 1.064 1034 I HN 0.125 nan 8.210 nan 0.000 0.414 1035 A N 0.526 123.235 122.820 -0.184 0.000 2.067 1035 A HA -0.043 4.278 4.320 0.001 0.000 0.219 1035 A C 2.393 179.920 177.584 -0.095 0.000 1.158 1035 A CA 1.486 53.454 52.037 -0.115 0.000 0.661 1035 A CB -0.667 18.262 19.000 -0.118 0.000 0.801 1035 A HN 0.422 nan 8.150 nan 0.000 0.452 1036 A N -0.582 122.141 122.820 -0.161 0.000 2.168 1036 A HA 0.214 4.535 4.320 0.001 0.000 0.215 1036 A C 1.666 179.217 177.584 -0.055 0.000 1.152 1036 A CA 0.697 52.673 52.037 -0.103 0.000 0.716 1036 A CB -0.366 18.553 19.000 -0.134 0.000 0.794 1036 A HN 0.456 nan 8.150 nan 0.000 0.465 1037 L N -1.114 120.077 121.223 -0.052 0.000 2.611 1037 L HA 0.248 4.588 4.340 0.001 0.000 0.229 1037 L C 0.547 177.407 176.870 -0.016 0.000 1.137 1037 L CA 0.036 54.857 54.840 -0.032 0.000 0.901 1037 L CB -0.425 41.615 42.059 -0.033 0.000 1.098 1037 L HN 0.421 nan 8.230 nan 0.000 0.456 1038 M N -1.448 118.148 119.600 -0.007 0.000 2.819 1038 M HA 0.374 4.854 4.480 0.001 0.000 0.300 1038 M C -0.959 175.354 176.300 0.021 0.000 1.237 1038 M CA -0.798 54.507 55.300 0.008 0.000 0.813 1038 M CB 1.847 34.456 32.600 0.016 0.000 1.755 1038 M HN -0.178 nan 8.290 nan 0.000 0.484 1039 D N 1.654 122.069 120.400 0.025 0.000 2.175 1039 D HA 0.209 4.849 4.640 0.001 0.000 0.248 1039 D C -0.515 175.812 176.300 0.045 0.000 1.047 1039 D CA -0.044 53.974 54.000 0.029 0.000 0.883 1039 D CB 0.946 41.758 40.800 0.019 0.000 1.180 1039 D HN 0.361 nan 8.370 nan 0.000 0.438 1040 K N -0.187 120.243 120.400 0.050 0.000 3.451 1040 K HA -0.121 4.199 4.320 0.001 0.000 0.273 1040 K C -2.454 174.202 176.600 0.094 0.000 0.944 1040 K CA 0.144 56.466 56.287 0.059 0.000 0.734 1040 K CB -2.034 30.488 32.500 0.036 0.000 1.437 1040 K HN 0.398 nan 8.250 nan 0.000 0.454 1041 P HA 0.277 nan 4.420 nan 0.000 0.276 1041 P C -0.264 177.204 177.300 0.279 0.000 1.235 1041 P CA -0.376 62.898 63.100 0.290 0.000 0.772 1041 P CB 1.503 33.422 31.700 0.365 0.000 0.871 1042 V N 3.572 123.558 119.914 0.120 0.000 2.709 1042 V HA 0.333 4.453 4.120 0.001 0.000 0.308 1042 V C -0.170 175.476 176.094 -0.747 0.000 1.062 1042 V CA -1.200 60.946 62.300 -0.256 0.000 0.901 1042 V CB 1.987 33.716 31.823 -0.157 0.000 1.003 1042 V HN 0.492 nan 8.190 nan 0.000 0.425 1043 K N 5.036 124.583 120.400 -1.423 0.000 2.379 1043 K HA 0.320 4.640 4.320 0.001 0.000 0.284 1043 K C 0.261 176.454 176.600 -0.678 0.000 1.044 1043 K CA -0.072 55.261 56.287 -1.591 0.000 0.974 1043 K CB 0.887 32.602 32.500 -1.308 0.000 0.962 1043 K HN 0.764 nan 8.250 nan 0.000 0.474 1044 L N 2.792 123.727 121.223 -0.480 0.000 2.262 1044 L HA 0.336 4.676 4.340 0.001 0.000 0.197 1044 L C 0.500 177.258 176.870 -0.186 0.000 1.073 1044 L CA 0.186 54.885 54.840 -0.235 0.000 0.800 1044 L CB 0.192 42.179 42.059 -0.121 0.000 0.987 1044 L HN 0.752 nan 8.230 nan 0.000 0.470 1045 A N -1.129 121.585 122.820 -0.177 0.000 2.608 1045 A HA 0.624 4.944 4.320 0.001 0.000 0.292 1045 A C -1.216 176.240 177.584 -0.214 0.000 1.066 1045 A CA -0.296 51.615 52.037 -0.211 0.000 0.676 1045 A CB 1.720 20.626 19.000 -0.156 0.000 1.277 1045 A HN -0.135 nan 8.150 nan 0.000 0.413 1046 S N 0.720 116.183 115.700 -0.395 0.000 2.776 1046 S HA 0.654 5.124 4.470 0.001 0.000 0.284 1046 S C -1.715 172.632 174.600 -0.422 0.000 1.160 1046 S CA -0.479 57.569 58.200 -0.253 0.000 1.051 1046 S CB 0.240 63.380 63.200 -0.099 0.000 1.037 1046 S HN 0.683 nan 8.310 nan 0.000 0.485 1047 H N 3.672 122.815 119.070 0.122 0.000 2.782 1047 H HA 0.545 5.102 4.556 0.001 0.000 0.347 1047 H C 0.666 176.081 175.328 0.145 0.000 1.038 1047 H CA -0.424 55.698 56.048 0.124 0.000 1.255 1047 H CB 1.430 31.273 29.762 0.135 0.000 1.623 1047 H HN 0.782 nan 8.280 nan 0.000 0.525 1048 R N 0.583 121.187 120.500 0.174 0.000 3.869 1048 R HA -0.233 4.108 4.340 0.001 0.000 0.424 1048 R C 1.154 177.374 176.300 -0.133 0.000 0.241 1048 R CA 1.927 58.039 56.100 0.021 0.000 1.351 1048 R CB -0.818 29.511 30.300 0.048 0.000 0.979 1048 R HN 0.737 nan 8.270 nan 0.000 0.572 1049 E N 2.058 121.993 120.200 -0.441 0.000 2.489 1049 E HA 0.013 4.363 4.350 0.001 0.000 0.193 1049 E C -0.029 176.302 176.600 -0.449 0.000 1.057 1049 E CA 0.631 56.742 56.400 -0.481 0.000 0.866 1049 E CB 0.147 29.512 29.700 -0.559 0.000 0.916 1049 E HN 0.385 nan 8.360 nan 0.000 0.500 1050 F N 1.984 121.975 119.950 0.069 0.000 2.351 1050 F HA 0.297 4.824 4.527 0.001 0.000 0.362 1050 F C 0.195 176.032 175.800 0.060 0.000 1.131 1050 F CA -0.631 57.414 58.000 0.075 0.000 1.187 1050 F CB 1.217 40.279 39.000 0.103 0.000 1.434 1050 F HN -0.325 nan 8.300 nan 0.000 0.553 1051 T N 2.130 116.799 114.554 0.191 0.000 2.767 1051 T HA 0.444 4.794 4.350 0.001 0.000 0.284 1051 T C -0.132 174.705 174.700 0.229 0.000 0.973 1051 T CA -0.696 61.507 62.100 0.171 0.000 0.996 1051 T CB 0.960 69.923 68.868 0.157 0.000 0.927 1051 T HN 0.550 nan 8.240 nan 0.000 0.456 1052 S N 2.380 118.207 115.700 0.212 0.000 2.513 1052 S HA 0.792 5.262 4.470 0.001 0.000 0.299 1052 S C -1.602 173.151 174.600 0.254 0.000 1.087 1052 S CA -1.001 57.334 58.200 0.226 0.000 1.012 1052 S CB 1.319 64.599 63.200 0.134 0.000 1.044 1052 S HN 0.670 nan 8.310 nan 0.000 0.485 1053 W N 1.015 122.324 121.300 0.015 0.000 3.032 1053 W HA 0.625 5.286 4.660 0.001 0.000 0.335 1053 W C -0.003 176.518 176.519 0.004 0.000 1.154 1053 W CA -0.729 56.619 57.345 0.005 0.000 1.204 1053 W CB 1.995 31.457 29.460 0.004 0.000 1.416 1053 W HN 0.812 nan 8.180 nan 0.000 0.521 1054 R N 2.001 122.602 120.500 0.168 0.000 2.532 1054 R HA 0.910 5.250 4.340 0.001 0.000 0.295 1054 R C -0.745 175.641 176.300 0.143 0.000 0.968 1054 R CA -0.347 55.821 56.100 0.112 0.000 0.916 1054 R CB 1.335 31.657 30.300 0.036 0.000 1.124 1054 R HN 0.609 nan 8.270 nan 0.000 0.463 1055 A N 2.923 125.806 122.820 0.106 0.000 2.583 1055 A HA 0.447 4.768 4.320 0.001 0.000 0.289 1055 A C -1.552 176.062 177.584 0.049 0.000 1.151 1055 A CA -0.851 51.241 52.037 0.091 0.000 0.695 1055 A CB 1.654 20.716 19.000 0.104 0.000 1.290 1055 A HN 0.767 nan 8.150 nan 0.000 0.419 1056 E N -0.302 119.921 120.200 0.039 0.000 2.179 1056 E HA 0.538 4.888 4.350 0.001 0.000 0.275 1056 E C -1.735 174.874 176.600 0.016 0.000 0.945 1056 E CA -0.665 55.748 56.400 0.022 0.000 0.792 1056 E CB 2.292 32.003 29.700 0.018 0.000 1.125 1056 E HN 0.362 nan 8.360 nan 0.000 0.397 1057 L N 3.485 124.713 121.223 0.008 0.000 2.406 1057 L HA 0.282 4.623 4.340 0.001 0.000 0.270 1057 L C -1.110 175.760 176.870 -0.001 0.000 0.982 1057 L CA -0.206 54.635 54.840 0.002 0.000 0.843 1057 L CB 1.027 43.086 42.059 -0.001 0.000 1.225 1057 L HN 0.448 nan 8.230 nan 0.000 0.412 1058 D N 4.328 124.728 120.400 -0.001 0.000 2.751 1058 D HA -0.193 4.448 4.640 0.001 0.000 0.233 1058 D C 1.173 177.472 176.300 -0.001 0.000 1.149 1058 D CA 1.659 55.658 54.000 -0.002 0.000 0.682 1058 D CB -1.169 39.628 40.800 -0.004 0.000 1.068 1058 D HN 1.204 nan 8.370 nan 0.000 0.429 1059 G N -1.692 107.109 108.800 0.001 0.000 2.225 1059 G HA2 -0.337 3.623 3.960 0.001 0.000 0.254 1059 G HA3 -0.337 3.623 3.960 0.001 0.000 0.254 1059 G C 0.313 175.213 174.900 0.000 0.000 0.988 1059 G CA 0.548 45.648 45.100 0.001 0.000 0.625 1059 G HN 0.364 nan 8.290 nan 0.000 0.527 1060 K N 0.943 121.342 120.400 -0.002 0.000 2.110 1060 K HA 0.748 5.069 4.320 0.001 0.000 0.263 1060 K C 0.523 177.121 176.600 -0.002 0.000 0.975 1060 K CA 0.117 56.401 56.287 -0.004 0.000 0.895 1060 K CB 1.657 34.152 32.500 -0.009 0.000 1.060 1060 K HN 0.647 nan 8.250 nan 0.000 0.448 1061 A N 1.863 124.681 122.820 -0.004 0.000 2.440 1061 A HA 0.429 4.750 4.320 0.001 0.000 0.251 1061 A C -0.322 177.258 177.584 -0.006 0.000 1.089 1061 A CA -0.304 51.732 52.037 -0.001 0.000 0.779 1061 A CB 0.355 19.354 19.000 -0.002 0.000 1.022 1061 A HN 0.370 nan 8.150 nan 0.000 0.492 1062 V N 3.937 123.853 119.914 0.004 0.000 2.808 1062 V HA 0.329 4.449 4.120 0.001 0.000 0.308 1062 V C -0.733 175.373 176.094 0.020 0.000 1.099 1062 V CA -0.611 61.689 62.300 -0.001 0.000 0.920 1062 V CB 1.913 33.736 31.823 0.000 0.000 1.014 1062 V HN 0.765 nan 8.190 nan 0.000 0.425 1063 I N 4.292 124.868 120.570 0.010 0.000 2.392 1063 I HA 0.520 4.690 4.170 0.001 0.000 0.295 1063 I C -0.239 175.914 176.117 0.060 0.000 0.985 1063 I CA -0.528 60.798 61.300 0.042 0.000 1.221 1063 I CB 1.870 39.886 38.000 0.026 0.000 1.366 1063 I HN 0.258 nan 8.210 nan 0.000 0.467 1064 V N 5.449 125.428 119.914 0.108 0.000 2.448 1064 V HA 0.451 4.571 4.120 0.001 0.000 0.295 1064 V C -0.378 175.805 176.094 0.148 0.000 1.025 1064 V CA -0.480 61.885 62.300 0.107 0.000 0.859 1064 V CB 2.072 33.944 31.823 0.081 0.000 0.988 1064 V HN 0.911 nan 8.190 nan 0.000 0.431 1065 C N 4.931 124.314 119.300 0.138 0.000 2.642 1065 C HA 0.678 5.138 4.460 0.001 0.000 0.344 1065 C C 0.457 175.548 174.990 0.169 0.000 1.110 1065 C CA -0.402 58.717 59.018 0.168 0.000 1.298 1065 C CB 1.096 28.938 27.740 0.169 0.000 1.827 1065 C HN 1.055 nan 8.230 nan 0.000 0.467 1066 S N 3.376 119.182 115.700 0.177 0.000 2.585 1066 S HA 0.379 4.850 4.470 0.001 0.000 0.273 1066 S C 0.947 175.686 174.600 0.232 0.000 1.339 1066 S CA 0.430 58.719 58.200 0.148 0.000 1.028 1066 S CB 1.321 64.574 63.200 0.088 0.000 0.906 1066 S HN 1.077 nan 8.310 nan 0.000 0.528 1067 T N -1.472 113.176 114.554 0.157 0.000 2.990 1067 T HA 0.524 4.875 4.350 0.001 0.000 0.249 1067 T C 1.161 175.909 174.700 0.080 0.000 1.039 1067 T CA 0.322 62.541 62.100 0.200 0.000 1.036 1067 T CB -0.879 68.058 68.868 0.115 0.000 0.994 1067 T HN 1.990 nan 8.240 nan 0.000 0.489 1068 G N 1.468 110.249 108.800 -0.031 0.000 2.814 1068 G HA2 -0.099 3.861 3.960 0.001 0.000 0.677 1068 G HA3 -0.099 3.861 3.960 0.001 0.000 0.677 1068 G C -0.594 174.282 174.900 -0.040 0.000 1.429 1068 G CA -0.578 44.463 45.100 -0.098 0.000 0.868 1068 G HN 0.651 nan 8.290 nan 0.000 0.553 1069 I N 2.098 122.639 120.570 -0.048 0.000 2.471 1069 I HA 0.496 4.666 4.170 0.001 0.000 0.286 1069 I C 1.177 177.287 176.117 -0.012 0.000 1.079 1069 I CA 1.444 62.731 61.300 -0.022 0.000 1.398 1069 I CB 0.550 38.534 38.000 -0.026 0.000 1.403 1069 I HN 1.954 nan 8.210 nan 0.000 0.530 1070 G N 3.887 112.687 108.800 0.001 0.000 2.587 1070 G HA2 -0.036 3.925 3.960 0.001 0.000 0.686 1070 G HA3 -0.036 3.925 3.960 0.001 0.000 0.686 1070 G C 0.447 175.349 174.900 0.004 0.000 1.236 1070 G CA -0.481 44.621 45.100 0.003 0.000 0.820 1070 G HN 0.884 nan 8.290 nan 0.000 0.645 1071 G N 0.179 108.978 108.800 -0.002 0.000 2.418 1071 G HA2 0.107 4.067 3.960 0.001 0.000 0.217 1071 G HA3 0.107 4.067 3.960 0.001 0.000 0.217 1071 G C 0.136 175.036 174.900 -0.000 0.000 1.158 1071 G CA 1.999 47.095 45.100 -0.007 0.000 0.771 1071 G HN 0.678 nan 8.290 nan 0.000 0.545 1072 P HA -0.076 nan 4.420 nan 0.000 0.216 1072 P C 2.240 179.567 177.300 0.044 0.000 1.153 1072 P CA 1.792 64.892 63.100 0.002 0.000 0.858 1072 P CB -0.080 31.617 31.700 -0.005 0.000 0.789 1073 S N -1.151 114.589 115.700 0.067 0.000 2.368 1073 S HA -0.115 4.356 4.470 0.001 0.000 0.224 1073 S C 1.936 176.663 174.600 0.212 0.000 1.029 1073 S CA 1.797 60.101 58.200 0.172 0.000 0.988 1073 S CB -1.512 61.734 63.200 0.075 0.000 0.838 1073 S HN 0.255 nan 8.310 nan 0.000 0.462 1074 T N 2.584 117.196 114.554 0.097 0.000 2.720 1074 T HA -0.142 4.209 4.350 0.001 0.000 0.268 1074 T C 2.342 177.026 174.700 -0.027 0.000 1.037 1074 T CA 1.681 63.804 62.100 0.039 0.000 1.144 1074 T CB -0.588 68.272 68.868 -0.013 0.000 0.864 1074 T HN 0.648 nan 8.240 nan 0.000 0.444 1075 S N 1.204 116.897 115.700 -0.011 0.000 2.399 1075 S HA -0.034 4.437 4.470 0.001 0.000 0.231 1075 S C 2.078 176.674 174.600 -0.007 0.000 1.022 1075 S CA 0.757 58.955 58.200 -0.004 0.000 0.983 1075 S CB -0.735 62.554 63.200 0.148 0.000 0.803 1075 S HN 0.514 nan 8.310 nan 0.000 0.480 1076 I N 2.117 122.669 120.570 -0.031 0.000 2.163 1076 I HA -0.074 4.097 4.170 0.001 0.000 0.240 1076 I C 3.138 179.133 176.117 -0.204 0.000 1.081 1076 I CA 1.056 62.274 61.300 -0.136 0.000 1.353 1076 I CB -0.750 37.075 38.000 -0.292 0.000 1.054 1076 I HN 0.429 nan 8.210 nan 0.000 0.407 1077 A N 0.561 123.248 122.820 -0.221 0.000 1.865 1077 A HA -0.180 4.141 4.320 0.001 0.000 0.217 1077 A C 2.417 179.955 177.584 -0.076 0.000 1.191 1077 A CA 2.077 53.997 52.037 -0.195 0.000 0.623 1077 A CB -1.104 17.899 19.000 0.005 0.000 0.826 1077 A HN 0.240 nan 8.150 nan 0.000 0.444 1078 V N 0.225 120.052 119.914 -0.144 0.000 2.407 1078 V HA -0.236 3.884 4.120 0.001 0.000 0.248 1078 V C 2.618 178.609 176.094 -0.171 0.000 1.055 1078 V CA 2.447 64.542 62.300 -0.340 0.000 1.049 1078 V CB -0.768 30.645 31.823 -0.683 0.000 0.662 1078 V HN 0.779 nan 8.190 nan 0.000 0.455 1079 E N 0.964 121.104 120.200 -0.101 0.000 2.051 1079 E HA -0.231 4.120 4.350 0.001 0.000 0.192 1079 E C 2.086 178.711 176.600 0.043 0.000 0.991 1079 E CA 1.918 58.316 56.400 -0.004 0.000 0.799 1079 E CB -0.277 29.451 29.700 0.048 0.000 0.748 1079 E HN 0.677 nan 8.360 nan 0.000 0.449 1080 E N -0.150 120.064 120.200 0.023 0.000 2.112 1080 E HA -0.066 4.285 4.350 0.001 0.000 0.190 1080 E C 2.267 178.909 176.600 0.069 0.000 0.979 1080 E CA 0.777 57.202 56.400 0.041 0.000 0.814 1080 E CB -0.087 29.619 29.700 0.008 0.000 0.762 1080 E HN 0.293 nan 8.360 nan 0.000 0.460 1081 L N 0.762 122.049 121.223 0.107 0.000 2.083 1081 L HA -0.181 4.159 4.340 0.001 0.000 0.209 1081 L C 2.592 179.575 176.870 0.187 0.000 1.083 1081 L CA 1.029 55.971 54.840 0.169 0.000 0.752 1081 L CB -0.443 41.799 42.059 0.305 0.000 0.899 1081 L HN 0.137 nan 8.230 nan 0.000 0.433 1082 A N -0.541 122.435 122.820 0.260 0.000 1.902 1082 A HA -0.255 4.066 4.320 0.001 0.000 0.217 1082 A C 2.219 179.870 177.584 0.113 0.000 1.181 1082 A CA 1.544 53.712 52.037 0.217 0.000 0.623 1082 A CB -0.461 18.664 19.000 0.208 0.000 0.818 1082 A HN 0.478 nan 8.150 nan 0.000 0.443 1083 Q N -0.694 119.161 119.800 0.091 0.000 2.170 1083 Q HA -0.065 4.275 4.340 0.001 0.000 0.203 1083 Q C 1.822 177.854 176.000 0.053 0.000 0.976 1083 Q CA 1.257 57.099 55.803 0.065 0.000 0.858 1083 Q CB -0.266 28.508 28.738 0.061 0.000 0.907 1083 Q HN 0.681 nan 8.270 nan 0.000 0.433 1084 L N -1.558 119.698 121.223 0.055 0.000 2.395 1084 L HA 0.037 4.377 4.340 0.001 0.000 0.218 1084 L C 1.375 178.260 176.870 0.024 0.000 1.130 1084 L CA 0.796 55.659 54.840 0.038 0.000 0.826 1084 L CB 0.213 42.295 42.059 0.038 0.000 0.941 1084 L HN 0.449 nan 8.230 nan 0.000 0.451 1085 G N -1.093 107.723 108.800 0.027 0.000 2.367 1085 G HA2 -0.147 3.813 3.960 0.001 0.000 0.181 1085 G HA3 -0.147 3.813 3.960 0.001 0.000 0.181 1085 G C 0.277 175.164 174.900 -0.022 0.000 1.000 1085 G CA -0.685 44.419 45.100 0.007 0.000 0.693 1085 G HN 0.002 nan 8.290 nan 0.000 0.480 1086 I N 1.529 122.072 120.570 -0.044 0.000 2.710 1086 I HA 0.232 4.402 4.170 0.001 0.000 0.286 1086 I C 1.358 177.374 176.117 -0.169 0.000 1.181 1086 I CA 0.469 61.657 61.300 -0.187 0.000 1.430 1086 I CB 0.811 38.599 38.000 -0.355 0.000 1.367 1086 I HN 0.133 nan 8.210 nan 0.000 0.577 1087 R N 2.914 123.277 120.500 -0.229 0.000 2.369 1087 R HA 0.183 4.523 4.340 0.001 0.000 0.210 1087 R C -0.060 176.155 176.300 -0.142 0.000 0.881 1087 R CA 0.313 56.356 56.100 -0.096 0.000 1.031 1087 R CB 0.324 30.602 30.300 -0.037 0.000 1.184 1087 R HN 0.543 nan 8.270 nan 0.000 0.581 1088 T N 1.525 115.864 114.554 -0.358 0.000 2.812 1088 T HA 0.603 4.953 4.350 0.001 0.000 0.282 1088 T C -0.903 173.511 174.700 -0.477 0.000 0.990 1088 T CA -0.298 61.656 62.100 -0.244 0.000 0.960 1088 T CB 1.254 70.047 68.868 -0.126 0.000 0.948 1088 T HN -0.168 nan 8.240 nan 0.000 0.438 1089 F N 2.365 122.311 119.950 -0.006 0.000 2.507 1089 F HA 0.596 5.124 4.527 0.001 0.000 0.325 1089 F C -0.287 175.509 175.800 -0.008 0.000 1.116 1089 F CA -1.098 56.898 58.000 -0.007 0.000 0.930 1089 F CB 1.419 40.411 39.000 -0.014 0.000 1.146 1089 F HN 0.211 nan 8.300 nan 0.000 0.447 1090 L N 4.383 125.692 121.223 0.143 0.000 2.319 1090 L HA 0.531 4.871 4.340 0.001 0.000 0.281 1090 L C -0.185 176.735 176.870 0.082 0.000 1.005 1090 L CA -0.853 54.037 54.840 0.083 0.000 0.828 1090 L CB 1.449 43.529 42.059 0.034 0.000 1.227 1090 L HN 0.476 nan 8.230 nan 0.000 0.415 1091 R N 4.220 124.758 120.500 0.064 0.000 2.221 1091 R HA 0.421 4.762 4.340 0.001 0.000 0.327 1091 R C -0.921 175.395 176.300 0.026 0.000 1.033 1091 R CA -0.452 55.675 56.100 0.045 0.000 0.887 1091 R CB 1.290 31.608 30.300 0.030 0.000 1.057 1091 R HN 0.457 nan 8.270 nan 0.000 0.455 1092 I N 3.672 124.256 120.570 0.023 0.000 2.362 1092 I HA 0.517 4.687 4.170 0.001 0.000 0.289 1092 I C -0.390 175.733 176.117 0.011 0.000 0.994 1092 I CA -0.112 61.195 61.300 0.012 0.000 1.158 1092 I CB 1.302 39.307 38.000 0.008 0.000 1.315 1092 I HN 0.686 nan 8.210 nan 0.000 0.451 1093 G N 4.908 113.712 108.800 0.007 0.000 2.949 1093 G HA2 0.684 4.645 3.960 0.001 0.000 0.285 1093 G HA3 0.684 4.645 3.960 0.001 0.000 0.285 1093 G C -0.950 173.955 174.900 0.008 0.000 1.395 1093 G CA -0.391 44.714 45.100 0.008 0.000 0.901 1093 G HN 0.593 nan 8.290 nan 0.000 0.519 1094 T N -2.830 111.732 114.554 0.014 0.000 2.918 1094 T HA 0.748 5.099 4.350 0.001 0.000 0.286 1094 T C -0.358 174.356 174.700 0.022 0.000 1.026 1094 T CA -0.622 61.489 62.100 0.018 0.000 1.031 1094 T CB 2.058 70.942 68.868 0.026 0.000 1.046 1094 T HN 0.840 nan 8.240 nan 0.000 0.479 1095 T N -0.351 114.212 114.554 0.016 0.000 2.868 1095 T HA 0.667 5.018 4.350 0.001 0.000 0.306 1095 T C -0.607 174.094 174.700 0.002 0.000 1.224 1095 T CA -0.459 61.645 62.100 0.008 0.000 1.012 1095 T CB 1.390 70.252 68.868 -0.010 0.000 1.221 1095 T HN 1.153 nan 8.240 nan 0.000 0.499 1096 G N 1.590 110.389 108.800 -0.000 0.000 2.384 1096 G HA2 0.639 4.600 3.960 0.001 0.000 0.316 1096 G HA3 0.639 4.600 3.960 0.001 0.000 0.316 1096 G C 0.019 174.913 174.900 -0.009 0.000 1.160 1096 G CA -0.204 44.894 45.100 -0.002 0.000 0.936 1096 G HN 0.970 nan 8.290 nan 0.000 0.455 1097 A N 2.337 125.131 122.820 -0.042 0.000 2.407 1097 A HA 0.533 4.853 4.320 0.001 0.000 0.248 1097 A C 1.154 178.691 177.584 -0.078 0.000 1.082 1097 A CA -0.317 51.665 52.037 -0.092 0.000 0.785 1097 A CB 0.263 19.188 19.000 -0.125 0.000 1.020 1097 A HN 1.293 nan 8.150 nan 0.000 0.489 1098 I N -2.105 118.394 120.570 -0.119 0.000 4.227 1098 I HA 0.224 4.394 4.170 0.001 0.000 0.334 1098 I C -0.121 175.948 176.117 -0.081 0.000 1.341 1098 I CA -0.268 60.985 61.300 -0.078 0.000 1.123 1098 I CB 0.188 38.124 38.000 -0.108 0.000 1.097 1098 I HN 0.360 nan 8.210 nan 0.000 0.399 1099 Q N 2.250 121.957 119.800 -0.156 0.000 2.241 1099 Q HA 0.350 4.690 4.340 0.001 0.000 0.254 1099 Q C -1.880 174.009 176.000 -0.184 0.000 0.917 1099 Q CA -1.916 53.786 55.803 -0.168 0.000 0.919 1099 Q CB 1.649 30.197 28.738 -0.318 0.000 1.237 1099 Q HN 0.017 nan 8.270 nan 0.000 0.434 1100 P HA -0.190 nan 4.420 nan 0.000 0.218 1100 P C 0.983 178.274 177.300 -0.014 0.000 1.148 1100 P CA 1.488 64.583 63.100 -0.008 0.000 0.822 1100 P CB 0.082 31.812 31.700 0.051 0.000 0.784 1101 H N -1.389 117.645 119.070 -0.060 0.000 2.502 1101 H HA 0.100 4.657 4.556 0.001 0.000 0.283 1101 H C 0.671 175.940 175.328 -0.098 0.000 1.015 1101 H CA 0.162 56.176 56.048 -0.057 0.000 1.298 1101 H CB -0.895 28.843 29.762 -0.040 0.000 1.411 1101 H HN 0.134 nan 8.280 nan 0.000 0.556 1102 I N 3.085 123.317 120.570 -0.562 0.000 2.396 1102 I HA 0.051 4.222 4.170 0.001 0.000 0.289 1102 I C -0.229 175.779 176.117 -0.182 0.000 1.056 1102 I CA -0.122 60.902 61.300 -0.460 0.000 1.365 1102 I CB 0.655 38.286 38.000 -0.616 0.000 1.407 1102 I HN 0.172 nan 8.210 nan 0.000 0.509 1103 N N 4.260 122.921 118.700 -0.065 0.000 2.477 1103 N HA 0.413 5.153 4.740 0.001 0.000 0.284 1103 N C -0.837 174.665 175.510 -0.013 0.000 1.182 1103 N CA -0.908 52.129 53.050 -0.022 0.000 0.949 1103 N CB 1.486 39.983 38.487 0.016 0.000 1.204 1103 N HN 0.205 nan 8.380 nan 0.000 0.526 1104 V N 1.092 121.003 119.914 -0.004 0.000 2.617 1104 V HA 0.181 4.301 4.120 0.001 0.000 0.304 1104 V C 1.393 177.497 176.094 0.018 0.000 1.040 1104 V CA 1.657 63.960 62.300 0.005 0.000 1.149 1104 V CB 0.017 31.846 31.823 0.011 0.000 0.914 1104 V HN 1.079 nan 8.190 nan 0.000 0.487 1105 G N 3.765 112.575 108.800 0.018 0.000 2.232 1105 G HA2 -0.179 3.781 3.960 0.001 0.000 0.226 1105 G HA3 -0.179 3.781 3.960 0.001 0.000 0.226 1105 G C -0.021 174.869 174.900 -0.017 0.000 0.996 1105 G CA -0.005 45.115 45.100 0.033 0.000 0.626 1105 G HN 0.665 nan 8.290 nan 0.000 0.509 1106 D N 0.283 120.674 120.400 -0.015 0.000 2.368 1106 D HA 0.465 5.106 4.640 0.001 0.000 0.240 1106 D C 0.567 176.826 176.300 -0.069 0.000 1.169 1106 D CA 0.205 54.190 54.000 -0.024 0.000 0.906 1106 D CB 1.582 42.433 40.800 0.084 0.000 1.187 1106 D HN 0.244 nan 8.370 nan 0.000 0.435 1107 V N 1.923 121.779 119.914 -0.097 0.000 2.459 1107 V HA 0.392 4.512 4.120 0.001 0.000 0.295 1107 V C -0.011 176.066 176.094 -0.028 0.000 1.029 1107 V CA -0.729 61.511 62.300 -0.100 0.000 0.874 1107 V CB 1.344 33.059 31.823 -0.180 0.000 0.985 1107 V HN 0.266 nan 8.190 nan 0.000 0.438 1108 L N 5.173 126.385 121.223 -0.018 0.000 2.349 1108 L HA 0.643 4.984 4.340 0.001 0.000 0.278 1108 L C -0.781 176.083 176.870 -0.011 0.000 0.996 1108 L CA -0.759 54.083 54.840 0.003 0.000 0.825 1108 L CB 2.018 44.073 42.059 -0.005 0.000 1.243 1108 L HN 0.323 nan 8.230 nan 0.000 0.412 1109 V N 1.745 121.655 119.914 -0.006 0.000 2.398 1109 V HA 0.364 4.484 4.120 0.001 0.000 0.286 1109 V C 0.235 176.323 176.094 -0.009 0.000 1.026 1109 V CA -0.331 61.961 62.300 -0.014 0.000 0.868 1109 V CB 1.930 33.739 31.823 -0.022 0.000 0.982 1109 V HN 0.738 nan 8.190 nan 0.000 0.443 1110 T N 3.192 117.738 114.554 -0.013 0.000 2.744 1110 T HA 0.224 4.574 4.350 0.001 0.000 0.291 1110 T C 1.276 175.973 174.700 -0.005 0.000 0.957 1110 T CA 0.114 62.205 62.100 -0.014 0.000 1.002 1110 T CB 1.285 70.140 68.868 -0.023 0.000 0.919 1110 T HN 0.957 nan 8.240 nan 0.000 0.468 1111 T N 0.792 115.346 114.554 0.000 0.000 2.851 1111 T HA 0.435 4.785 4.350 0.001 0.000 0.262 1111 T C 0.763 175.468 174.700 0.009 0.000 1.043 1111 T CA 0.330 62.438 62.100 0.013 0.000 1.140 1111 T CB 0.129 69.010 68.868 0.022 0.000 0.872 1111 T HN 0.757 nan 8.240 nan 0.000 0.446 1112 A N 0.005 122.821 122.820 -0.006 0.000 2.608 1112 A HA 0.682 5.003 4.320 0.001 0.000 0.292 1112 A C -0.966 176.597 177.584 -0.036 0.000 1.066 1112 A CA -0.853 51.176 52.037 -0.013 0.000 0.676 1112 A CB 1.423 20.416 19.000 -0.012 0.000 1.277 1112 A HN 0.236 nan 8.150 nan 0.000 0.413 1113 S N -0.261 115.416 115.700 -0.040 0.000 2.532 1113 S HA 0.599 5.069 4.470 0.001 0.000 0.301 1113 S C -0.338 174.206 174.600 -0.094 0.000 1.083 1113 S CA -0.584 57.572 58.200 -0.074 0.000 1.025 1113 S CB 1.696 64.860 63.200 -0.059 0.000 1.056 1113 S HN 0.853 nan 8.310 nan 0.000 0.494 1114 V N 3.105 122.911 119.914 -0.180 0.000 2.479 1114 V HA 0.172 4.292 4.120 0.001 0.000 0.281 1114 V C 0.553 176.558 176.094 -0.148 0.000 1.031 1114 V CA -0.048 62.111 62.300 -0.236 0.000 1.038 1114 V CB -0.099 31.383 31.823 -0.569 0.000 0.981 1114 V HN 0.695 nan 8.190 nan 0.000 0.478 1115 R N 5.392 125.859 120.500 -0.055 0.000 2.612 1115 R HA 0.313 4.654 4.340 0.001 0.000 0.273 1115 R C 0.108 176.438 176.300 0.051 0.000 1.376 1115 R CA -0.106 56.001 56.100 0.011 0.000 1.171 1115 R CB 0.025 30.356 30.300 0.053 0.000 1.151 1115 R HN 0.670 nan 8.270 nan 0.000 0.560 1116 L N 2.073 123.327 121.223 0.052 0.000 2.848 1116 L HA 0.130 4.471 4.340 0.001 0.000 0.240 1116 L C 0.321 177.270 176.870 0.132 0.000 1.232 1116 L CA -0.218 54.716 54.840 0.157 0.000 1.031 1116 L CB -0.601 41.576 42.059 0.197 0.000 1.338 1116 L HN 0.537 nan 8.230 nan 0.000 0.509 1117 D N -1.246 119.208 120.400 0.089 0.000 2.525 1117 D HA 0.300 4.940 4.640 0.001 0.000 0.249 1117 D C 0.711 177.058 176.300 0.078 0.000 1.072 1117 D CA -0.384 53.656 54.000 0.067 0.000 1.067 1117 D CB 2.076 42.898 40.800 0.036 0.000 1.282 1117 D HN -0.072 nan 8.370 nan 0.000 0.587 1118 G N -1.312 107.518 108.800 0.051 0.000 2.781 1118 G HA2 0.256 4.217 3.960 0.001 0.000 0.208 1118 G HA3 0.256 4.217 3.960 0.001 0.000 0.208 1118 G C 1.195 176.094 174.900 -0.002 0.000 1.099 1118 G CA 0.532 45.666 45.100 0.058 0.000 0.776 1118 G HN 0.607 nan 8.290 nan 0.000 0.532 1119 A N 1.620 124.391 122.820 -0.082 0.000 2.014 1119 A HA 0.071 4.391 4.320 0.001 0.000 0.218 1119 A C 2.626 180.282 177.584 0.120 0.000 1.163 1119 A CA 2.118 54.053 52.037 -0.170 0.000 0.652 1119 A CB -0.488 18.462 19.000 -0.082 0.000 0.808 1119 A HN 0.606 nan 8.150 nan 0.000 0.449 1120 S N 0.418 116.206 115.700 0.147 0.000 2.382 1120 S HA -0.110 4.361 4.470 0.001 0.000 0.228 1120 S C 1.721 176.460 174.600 0.232 0.000 1.027 1120 S CA 1.369 59.693 58.200 0.207 0.000 0.991 1120 S CB -0.805 62.468 63.200 0.121 0.000 0.823 1120 S HN 0.427 nan 8.310 nan 0.000 0.469 1121 L N 1.046 122.391 121.223 0.202 0.000 2.349 1121 L HA -0.082 4.259 4.340 0.001 0.000 0.220 1121 L C 2.328 179.294 176.870 0.160 0.000 1.130 1121 L CA 1.227 56.174 54.840 0.178 0.000 0.791 1121 L CB -0.773 41.390 42.059 0.174 0.000 0.918 1121 L HN 0.513 nan 8.230 nan 0.000 0.444 1122 H N -2.117 116.921 119.070 -0.054 0.000 2.547 1122 H HA 0.040 4.596 4.556 0.001 0.000 0.266 1122 H C 1.160 176.151 175.328 -0.560 0.000 0.988 1122 H CA 0.488 56.362 56.048 -0.290 0.000 1.147 1122 H CB 0.437 29.976 29.762 -0.371 0.000 1.365 1122 H HN 0.357 nan 8.280 nan 0.000 0.589 1123 F N -0.444 119.523 119.950 0.028 0.000 2.784 1123 F HA 0.437 4.964 4.527 0.001 0.000 0.316 1123 F C 0.717 176.419 175.800 -0.163 0.000 1.026 1123 F CA -0.042 57.916 58.000 -0.071 0.000 1.188 1123 F CB 1.169 40.114 39.000 -0.092 0.000 0.999 1123 F HN -0.038 nan 8.300 nan 0.000 0.605 1124 A N -0.092 122.739 122.820 0.018 0.000 2.589 1124 A HA 0.665 4.986 4.320 0.001 0.000 0.296 1124 A C -2.870 174.727 177.584 0.022 0.000 1.062 1124 A CA -1.461 50.513 52.037 -0.105 0.000 0.686 1124 A CB 0.563 19.296 19.000 -0.446 0.000 1.282 1124 A HN -0.190 nan 8.150 nan 0.000 0.404 1125 P HA 0.183 nan 4.420 nan 0.000 0.271 1125 P C 1.033 178.412 177.300 0.131 0.000 1.244 1125 P CA -0.328 62.821 63.100 0.082 0.000 0.793 1125 P CB 0.353 32.101 31.700 0.081 0.000 0.984 1126 M N 1.555 121.221 119.600 0.110 0.000 2.202 1126 M HA -0.176 4.304 4.480 0.001 0.000 0.262 1126 M C 1.564 177.941 176.300 0.128 0.000 1.063 1126 M CA 1.662 57.031 55.300 0.116 0.000 1.097 1126 M CB -0.975 31.679 32.600 0.090 0.000 1.382 1126 M HN 0.364 nan 8.290 nan 0.000 0.413 1127 E N -1.002 119.272 120.200 0.124 0.000 2.338 1127 E HA -0.172 4.178 4.350 0.001 0.000 0.197 1127 E C 0.385 177.058 176.600 0.121 0.000 1.007 1127 E CA 0.298 56.760 56.400 0.103 0.000 0.849 1127 E CB -0.988 28.761 29.700 0.081 0.000 0.774 1127 E HN 0.474 nan 8.360 nan 0.000 0.506 1128 F N 4.293 124.263 119.950 0.034 0.000 2.529 1128 F HA 0.170 4.698 4.527 0.001 0.000 0.365 1128 F C -1.944 173.874 175.800 0.029 0.000 1.102 1128 F CA -2.404 55.617 58.000 0.033 0.000 1.271 1128 F CB 0.620 39.646 39.000 0.043 0.000 1.120 1128 F HN -0.146 nan 8.300 nan 0.000 0.579 1129 P HA 0.167 nan 4.420 nan 0.000 0.281 1129 P C -1.318 176.034 177.300 0.087 0.000 1.252 1129 P CA -0.427 62.618 63.100 -0.093 0.000 0.778 1129 P CB 1.219 32.793 31.700 -0.210 0.000 0.895 1130 A N 3.935 126.816 122.820 0.103 0.000 2.990 1130 A HA 0.291 4.611 4.320 0.001 0.000 0.282 1130 A C 0.161 177.775 177.584 0.050 0.000 1.688 1130 A CA -0.319 51.781 52.037 0.104 0.000 1.391 1130 A CB -0.866 18.172 19.000 0.063 0.000 1.112 1130 A HN 0.462 nan 8.150 nan 0.000 0.588 1131 V N 2.059 122.006 119.914 0.056 0.000 2.547 1131 V HA 0.709 4.829 4.120 0.001 0.000 0.299 1131 V C 0.618 176.741 176.094 0.049 0.000 1.040 1131 V CA -0.259 62.058 62.300 0.029 0.000 0.913 1131 V CB 1.490 33.310 31.823 -0.005 0.000 0.992 1131 V HN 0.949 nan 8.190 nan 0.000 0.449 1132 A N 4.267 127.112 122.820 0.041 0.000 2.386 1132 A HA 0.385 4.705 4.320 0.001 0.000 0.248 1132 A C 0.079 177.707 177.584 0.072 0.000 1.082 1132 A CA -0.107 51.959 52.037 0.048 0.000 0.789 1132 A CB 0.136 19.155 19.000 0.031 0.000 1.025 1132 A HN 1.043 nan 8.150 nan 0.000 0.490 1133 D N 0.378 120.824 120.400 0.077 0.000 2.414 1133 D HA 0.096 4.737 4.640 0.001 0.000 0.242 1133 D C 0.698 177.069 176.300 0.117 0.000 1.129 1133 D CA -0.067 53.995 54.000 0.103 0.000 0.885 1133 D CB 0.171 41.024 40.800 0.088 0.000 1.198 1133 D HN 0.384 nan 8.370 nan 0.000 0.437 1134 F N 3.955 123.914 119.950 0.014 0.000 2.102 1134 F HA -0.125 4.402 4.527 0.001 0.000 0.298 1134 F C 2.033 177.838 175.800 0.008 0.000 1.105 1134 F CA 1.907 59.911 58.000 0.008 0.000 1.239 1134 F CB -0.534 38.469 39.000 0.005 0.000 0.991 1134 F HN 0.489 nan 8.300 nan 0.000 0.474 1135 A N -0.449 122.331 122.820 -0.068 0.000 1.877 1135 A HA -0.215 4.105 4.320 0.001 0.000 0.216 1135 A C 2.393 179.877 177.584 -0.166 0.000 1.186 1135 A CA 1.813 53.752 52.037 -0.164 0.000 0.620 1135 A CB -1.674 17.320 19.000 -0.009 0.000 0.822 1135 A HN 0.580 nan 8.150 nan 0.000 0.443 1136 C N -0.889 118.362 119.300 -0.081 0.000 2.413 1136 C HA -0.103 4.358 4.460 0.001 0.000 0.276 1136 C C 3.060 177.996 174.990 -0.091 0.000 1.236 1136 C CA 1.627 60.609 59.018 -0.059 0.000 1.735 1136 C CB -1.572 26.164 27.740 -0.008 0.000 2.031 1136 C HN 0.668 nan 8.230 nan 0.000 0.474 1137 T N 0.297 114.782 114.554 -0.115 0.000 2.777 1137 T HA -0.150 4.200 4.350 0.001 0.000 0.266 1137 T C 1.773 176.360 174.700 -0.187 0.000 1.040 1137 T CA 2.063 64.091 62.100 -0.120 0.000 1.141 1137 T CB -0.533 68.285 68.868 -0.084 0.000 0.868 1137 T HN 0.596 nan 8.240 nan 0.000 0.444 1138 T N 2.202 116.553 114.554 -0.338 0.000 2.674 1138 T HA -0.055 4.296 4.350 0.001 0.000 0.265 1138 T C 2.456 177.043 174.700 -0.189 0.000 1.039 1138 T CA 1.253 63.147 62.100 -0.343 0.000 1.150 1138 T CB -0.667 67.868 68.868 -0.555 0.000 0.864 1138 T HN 0.441 nan 8.240 nan 0.000 0.427 1139 A N 0.980 123.705 122.820 -0.159 0.000 1.948 1139 A HA -0.038 4.282 4.320 0.001 0.000 0.220 1139 A C 2.282 179.823 177.584 -0.073 0.000 1.177 1139 A CA 1.349 53.328 52.037 -0.096 0.000 0.636 1139 A CB -0.834 18.120 19.000 -0.076 0.000 0.815 1139 A HN 0.494 nan 8.150 nan 0.000 0.449 1140 L N -1.024 120.155 121.223 -0.074 0.000 2.179 1140 L HA -0.078 4.262 4.340 0.001 0.000 0.208 1140 L C 2.418 179.256 176.870 -0.054 0.000 1.096 1140 L CA 0.511 55.319 54.840 -0.053 0.000 0.779 1140 L CB -0.249 41.783 42.059 -0.045 0.000 0.922 1140 L HN 0.233 nan 8.230 nan 0.000 0.443 1141 V N -0.269 119.604 119.914 -0.069 0.000 2.379 1141 V HA -0.225 3.896 4.120 0.001 0.000 0.245 1141 V C 2.287 178.349 176.094 -0.054 0.000 1.044 1141 V CA 1.628 63.891 62.300 -0.061 0.000 1.036 1141 V CB -0.291 31.491 31.823 -0.068 0.000 0.664 1141 V HN 0.430 nan 8.190 nan 0.000 0.453 1142 E N 0.221 120.386 120.200 -0.058 0.000 2.072 1142 E HA -0.124 4.226 4.350 0.001 0.000 0.190 1142 E C 2.357 178.937 176.600 -0.033 0.000 0.982 1142 E CA 1.170 57.543 56.400 -0.045 0.000 0.803 1142 E CB -0.323 29.347 29.700 -0.049 0.000 0.755 1142 E HN 0.569 nan 8.360 nan 0.000 0.453 1143 A N 1.650 124.450 122.820 -0.033 0.000 1.883 1143 A HA -0.180 4.140 4.320 0.001 0.000 0.217 1143 A C 2.419 179.996 177.584 -0.011 0.000 1.186 1143 A CA 1.829 53.854 52.037 -0.020 0.000 0.624 1143 A CB -0.778 18.210 19.000 -0.020 0.000 0.822 1143 A HN 0.301 nan 8.150 nan 0.000 0.444 1144 A N -0.261 122.546 122.820 -0.021 0.000 1.917 1144 A HA -0.233 4.087 4.320 0.001 0.000 0.219 1144 A C 2.164 179.739 177.584 -0.014 0.000 1.182 1144 A CA 2.182 54.205 52.037 -0.023 0.000 0.633 1144 A CB -0.484 18.485 19.000 -0.051 0.000 0.819 1144 A HN 0.577 nan 8.150 nan 0.000 0.448 1145 K N -0.413 119.974 120.400 -0.022 0.000 2.148 1145 K HA -0.105 4.216 4.320 0.001 0.000 0.204 1145 K C 2.275 178.872 176.600 -0.005 0.000 1.050 1145 K CA 1.473 57.750 56.287 -0.017 0.000 0.942 1145 K CB -0.176 32.309 32.500 -0.024 0.000 0.724 1145 K HN 0.473 nan 8.250 nan 0.000 0.446 1146 S N 0.249 115.946 115.700 -0.005 0.000 2.406 1146 S HA -0.040 4.430 4.470 0.001 0.000 0.228 1146 S C 1.843 176.449 174.600 0.009 0.000 1.020 1146 S CA 0.575 58.775 58.200 -0.001 0.000 0.965 1146 S CB -0.081 63.115 63.200 -0.006 0.000 0.798 1146 S HN 0.257 nan 8.310 nan 0.000 0.488 1147 I N 1.231 121.814 120.570 0.022 0.000 2.400 1147 I HA 0.237 4.408 4.170 0.001 0.000 0.248 1147 I C 1.511 177.664 176.117 0.060 0.000 1.109 1147 I CA 1.395 62.720 61.300 0.042 0.000 1.425 1147 I CB -1.659 36.386 38.000 0.076 0.000 1.094 1147 I HN 0.545 nan 8.210 nan 0.000 0.425 1148 G N 1.671 110.514 108.800 0.072 0.000 2.826 1148 G HA2 0.241 4.201 3.960 0.001 0.000 0.623 1148 G HA3 0.241 4.201 3.960 0.001 0.000 0.623 1148 G C -0.415 174.592 174.900 0.178 0.000 1.127 1148 G CA -0.186 44.964 45.100 0.082 0.000 1.165 1148 G HN 0.712 nan 8.290 nan 0.000 0.504 1149 A N 1.449 124.314 122.820 0.075 0.000 2.606 1149 A HA 0.942 5.262 4.320 0.001 0.000 0.293 1149 A C 0.075 177.612 177.584 -0.078 0.000 1.082 1149 A CA -0.020 52.004 52.037 -0.022 0.000 0.685 1149 A CB 1.297 20.161 19.000 -0.226 0.000 1.284 1149 A HN 1.421 nan 8.150 nan 0.000 0.408 1150 T N 2.600 117.093 114.554 -0.101 0.000 2.727 1150 T HA 0.490 4.840 4.350 0.001 0.000 0.295 1150 T C -0.098 174.490 174.700 -0.187 0.000 0.915 1150 T CA 0.452 62.481 62.100 -0.119 0.000 1.066 1150 T CB -0.046 68.798 68.868 -0.041 0.000 0.891 1150 T HN 0.579 nan 8.240 nan 0.000 0.516 1151 T N 4.690 119.080 114.554 -0.272 0.000 2.807 1151 T HA 0.377 4.727 4.350 0.001 0.000 0.279 1151 T C -0.487 173.962 174.700 -0.418 0.000 0.993 1151 T CA -0.784 61.170 62.100 -0.244 0.000 0.970 1151 T CB 0.805 69.586 68.868 -0.145 0.000 0.950 1151 T HN 0.544 nan 8.240 nan 0.000 0.441 1152 H N 1.206 120.258 119.070 -0.030 0.000 2.495 1152 H HA 0.587 5.143 4.556 0.001 0.000 0.348 1152 H C -0.916 174.401 175.328 -0.018 0.000 1.113 1152 H CA -0.588 55.454 56.048 -0.010 0.000 1.195 1152 H CB 1.976 31.733 29.762 -0.008 0.000 1.521 1152 H HN 0.278 nan 8.280 nan 0.000 0.509 1153 V N 2.057 122.028 119.914 0.094 0.000 2.495 1153 V HA 0.712 4.832 4.120 0.001 0.000 0.298 1153 V C 0.498 176.621 176.094 0.050 0.000 1.031 1153 V CA -0.190 62.138 62.300 0.046 0.000 0.871 1153 V CB 1.511 33.346 31.823 0.019 0.000 0.988 1153 V HN 1.113 nan 8.190 nan 0.000 0.432 1154 G N 3.022 111.838 108.800 0.027 0.000 2.367 1154 G HA2 0.347 4.307 3.960 0.001 0.000 0.272 1154 G HA3 0.347 4.307 3.960 0.001 0.000 0.272 1154 G C -1.337 173.557 174.900 -0.010 0.000 1.271 1154 G CA -0.402 44.708 45.100 0.016 0.000 0.893 1154 G HN 0.542 nan 8.290 nan 0.000 0.485 1155 V N 0.843 120.744 119.914 -0.023 0.000 2.649 1155 V HA 0.598 4.718 4.120 0.001 0.000 0.292 1155 V C 0.436 176.472 176.094 -0.096 0.000 1.055 1155 V CA 0.104 62.372 62.300 -0.053 0.000 1.023 1155 V CB 1.233 33.026 31.823 -0.050 0.000 0.992 1155 V HN 0.788 nan 8.190 nan 0.000 0.480 1156 T N 3.330 117.812 114.554 -0.120 0.000 2.856 1156 T HA 0.643 4.993 4.350 0.001 0.000 0.283 1156 T C -0.076 174.482 174.700 -0.236 0.000 1.008 1156 T CA -0.298 61.706 62.100 -0.161 0.000 0.997 1156 T CB 1.680 70.484 68.868 -0.106 0.000 0.992 1156 T HN 0.913 nan 8.240 nan 0.000 0.454 1157 A N 2.136 124.758 122.820 -0.330 0.000 2.279 1157 A HA 0.577 4.897 4.320 0.001 0.000 0.306 1157 A C 0.434 177.935 177.584 -0.139 0.000 1.300 1157 A CA -0.413 51.391 52.037 -0.388 0.000 0.925 1157 A CB 0.197 18.796 19.000 -0.668 0.000 1.152 1157 A HN 0.627 nan 8.150 nan 0.000 0.544 1158 S N 2.471 118.105 115.700 -0.111 0.000 2.434 1158 S HA 0.462 4.932 4.470 0.001 0.000 0.318 1158 S C 0.075 174.667 174.600 -0.012 0.000 1.062 1158 S CA -0.296 57.881 58.200 -0.040 0.000 1.116 1158 S CB 0.075 63.251 63.200 -0.041 0.000 0.977 1158 S HN 0.947 nan 8.310 nan 0.000 0.480 1159 S N 3.336 119.033 115.700 -0.004 0.000 2.525 1159 S HA 0.347 4.817 4.470 0.001 0.000 0.290 1159 S C 0.511 175.085 174.600 -0.042 0.000 1.152 1159 S CA -0.617 57.561 58.200 -0.037 0.000 1.072 1159 S CB 1.153 64.270 63.200 -0.137 0.000 1.027 1159 S HN 0.687 nan 8.310 nan 0.000 0.500 1160 D N 2.047 122.432 120.400 -0.025 0.000 2.371 1160 D HA 0.105 4.745 4.640 0.001 0.000 0.221 1160 D C 0.658 176.945 176.300 -0.021 0.000 0.986 1160 D CA 0.793 54.789 54.000 -0.008 0.000 0.899 1160 D CB 0.162 40.978 40.800 0.026 0.000 0.902 1160 D HN 0.727 nan 8.370 nan 0.000 0.530 1161 T N -3.893 110.614 114.554 -0.079 0.000 2.906 1161 T HA 0.277 4.628 4.350 0.001 0.000 0.295 1161 T C 0.515 175.154 174.700 -0.101 0.000 1.061 1161 T CA -0.869 61.201 62.100 -0.049 0.000 1.000 1161 T CB 1.205 70.039 68.868 -0.057 0.000 1.103 1161 T HN -0.130 nan 8.240 nan 0.000 0.486 1162 F N 0.238 120.068 119.950 -0.199 0.000 2.367 1162 F HA 0.180 4.707 4.527 0.001 0.000 0.298 1162 F C 0.818 176.266 175.800 -0.586 0.000 1.094 1162 F CA 0.818 58.569 58.000 -0.414 0.000 1.409 1162 F CB -0.042 38.650 39.000 -0.514 0.000 1.064 1162 F HN 0.685 nan 8.300 nan 0.000 0.528 1163 Y N 0.182 120.434 120.300 -0.079 0.000 2.610 1163 Y HA 0.186 4.737 4.550 0.001 0.000 0.234 1163 Y C -0.556 175.172 175.900 -0.286 0.000 1.050 1163 Y CA 0.205 58.221 58.100 -0.139 0.000 1.381 1163 Y CB -1.804 36.654 38.460 -0.002 0.000 1.187 1163 Y HN -0.268 nan 8.280 nan 0.000 0.495 1164 P HA -0.078 nan 4.420 nan 0.000 0.217 1164 P C 1.483 178.493 177.300 -0.482 0.000 1.151 1164 P CA 2.178 65.146 63.100 -0.221 0.000 0.828 1164 P CB -0.199 31.439 31.700 -0.104 0.000 0.788 1165 G N -0.192 108.189 108.800 -0.699 0.000 2.559 1165 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 1165 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 1165 G C 1.285 175.698 174.900 -0.811 0.000 1.126 1165 G CA 0.267 44.615 45.100 -1.252 0.000 0.778 1165 G HN 0.379 nan 8.290 nan 0.000 0.543 1166 Q N -0.537 118.812 119.800 -0.751 0.000 2.175 1166 Q HA 0.199 4.539 4.340 0.001 0.000 0.225 1166 Q C -0.008 175.623 176.000 -0.615 0.000 0.837 1166 Q CA -0.328 54.789 55.803 -1.143 0.000 1.032 1166 Q CB 0.501 28.442 28.738 -1.330 0.000 1.137 1166 Q HN 0.560 nan 8.270 nan 0.000 0.483 1167 E N 1.719 121.707 120.200 -0.352 0.000 2.238 1167 E HA -0.252 4.098 4.350 0.001 0.000 0.219 1167 E C -0.798 175.666 176.600 -0.226 0.000 1.275 1167 E CA 0.231 56.495 56.400 -0.226 0.000 0.714 1167 E CB -0.302 29.414 29.700 0.026 0.000 1.154 1167 E HN 0.340 nan 8.360 nan 0.000 0.363 1168 R N -0.223 120.122 120.500 -0.258 0.000 2.357 1168 R HA 0.184 4.524 4.340 0.001 0.000 0.296 1168 R C 0.413 176.629 176.300 -0.139 0.000 1.052 1168 R CA -0.036 56.006 56.100 -0.096 0.000 0.988 1168 R CB 0.481 30.766 30.300 -0.024 0.000 1.025 1168 R HN 0.220 nan 8.270 nan 0.000 0.469 1169 Y N -0.354 119.984 120.300 0.062 0.000 2.483 1169 Y HA 0.041 4.591 4.550 0.001 0.000 0.258 1169 Y C 0.557 176.489 175.900 0.052 0.000 1.083 1169 Y CA -0.079 58.052 58.100 0.051 0.000 1.283 1169 Y CB 0.644 39.124 38.460 0.033 0.000 1.178 1169 Y HN 0.542 nan 8.280 nan 0.000 0.515 1170 D N 1.572 122.097 120.400 0.208 0.000 2.545 1170 D HA 0.101 4.741 4.640 0.001 0.000 0.227 1170 D C 0.053 176.420 176.300 0.112 0.000 1.150 1170 D CA 0.231 54.317 54.000 0.143 0.000 1.046 1170 D CB -0.052 40.827 40.800 0.131 0.000 1.098 1170 D HN 0.227 nan 8.370 nan 0.000 0.502 1171 T N -1.682 112.908 114.554 0.061 0.000 2.773 1171 T HA 0.159 4.509 4.350 0.001 0.000 0.278 1171 T C 0.966 175.672 174.700 0.010 0.000 1.011 1171 T CA -0.832 61.256 62.100 -0.019 0.000 1.014 1171 T CB 0.451 69.287 68.868 -0.055 0.000 1.293 1171 T HN 0.185 nan 8.240 nan 0.000 0.554 1172 Y N 1.295 121.530 120.300 -0.108 0.000 2.128 1172 Y HA -0.125 4.425 4.550 0.000 0.000 0.284 1172 Y C 2.736 178.616 175.900 -0.033 0.000 1.154 1172 Y CA 2.631 60.691 58.100 -0.068 0.000 1.149 1172 Y CB -0.376 38.034 38.460 -0.084 0.000 0.976 1172 Y HN 0.727 nan 8.280 nan 0.000 0.505 1173 S N -1.060 114.583 115.700 -0.095 0.000 2.425 1173 S HA 0.152 4.622 4.470 0.001 0.000 0.225 1173 S C 1.944 176.493 174.600 -0.085 0.000 1.024 1173 S CA 0.676 58.785 58.200 -0.151 0.000 0.951 1173 S CB -0.523 62.689 63.200 0.019 0.000 0.796 1173 S HN 1.007 nan 8.310 nan 0.000 0.498 1174 G N 2.020 110.812 108.800 -0.014 0.000 2.189 1174 G HA2 -0.337 3.623 3.960 0.001 0.000 0.267 1174 G HA3 -0.337 3.623 3.960 0.001 0.000 0.267 1174 G C 0.084 175.081 174.900 0.161 0.000 0.975 1174 G CA 0.533 45.677 45.100 0.074 0.000 0.644 1174 G HN 1.022 nan 8.290 nan 0.000 0.537 1175 R N -1.151 119.401 120.500 0.086 0.000 2.732 1175 R HA 0.809 5.149 4.340 0.001 0.000 0.278 1175 R C -0.918 175.385 176.300 0.005 0.000 0.976 1175 R CA -0.997 55.168 56.100 0.108 0.000 0.963 1175 R CB 2.240 32.585 30.300 0.076 0.000 1.150 1175 R HN 0.232 nan 8.270 nan 0.000 0.478 1176 V N 2.671 122.590 119.914 0.009 0.000 2.540 1176 V HA 0.240 4.360 4.120 0.001 0.000 0.302 1176 V C 0.010 176.148 176.094 0.073 0.000 1.035 1176 V CA -1.118 61.151 62.300 -0.052 0.000 0.873 1176 V CB 1.719 33.388 31.823 -0.256 0.000 0.992 1176 V HN 0.696 nan 8.190 nan 0.000 0.428 1177 V N 5.931 125.911 119.914 0.109 0.000 2.814 1177 V HA 0.022 4.143 4.120 0.001 0.000 0.307 1177 V C 1.915 178.069 176.094 0.100 0.000 1.089 1177 V CA 0.762 63.132 62.300 0.116 0.000 1.212 1177 V CB 0.714 32.624 31.823 0.145 0.000 0.912 1177 V HN 0.973 nan 8.190 nan 0.000 0.497 1178 R N 3.972 124.502 120.500 0.051 0.000 2.189 1178 R HA -0.237 4.103 4.340 0.001 0.000 0.252 1178 R C 2.276 178.554 176.300 -0.036 0.000 1.134 1178 R CA 2.528 58.637 56.100 0.015 0.000 0.954 1178 R CB -0.318 29.982 30.300 -0.001 0.000 0.890 1178 R HN 0.801 nan 8.270 nan 0.000 0.443 1179 R N -0.365 120.069 120.500 -0.110 0.000 2.133 1179 R HA -0.171 4.170 4.340 0.001 0.000 0.247 1179 R C 1.510 177.550 176.300 -0.434 0.000 1.151 1179 R CA 1.794 57.699 56.100 -0.325 0.000 0.971 1179 R CB -0.260 29.738 30.300 -0.504 0.000 0.866 1179 R HN 0.336 nan 8.270 nan 0.000 0.447 1180 F N 0.000 119.969 119.950 0.032 0.000 2.653 1180 F HA 0.258 4.786 4.527 0.001 0.000 0.304 1180 F C 0.647 176.456 175.800 0.016 0.000 1.092 1180 F CA -0.356 57.666 58.000 0.036 0.000 1.279 1180 F CB 0.472 39.496 39.000 0.039 0.000 1.044 1180 F HN -0.389 nan 8.300 nan 0.000 0.564 1181 K N 0.989 121.471 120.400 0.137 0.000 2.412 1181 K HA 0.207 4.528 4.320 0.001 0.000 0.284 1181 K C 1.105 177.750 176.600 0.075 0.000 1.046 1181 K CA 0.729 57.095 56.287 0.133 0.000 0.999 1181 K CB 0.542 33.105 32.500 0.105 0.000 0.941 1181 K HN 0.399 nan 8.250 nan 0.000 0.474 1182 G N 2.293 111.156 108.800 0.104 0.000 2.168 1182 G HA2 -0.339 3.622 3.960 0.001 0.000 0.257 1182 G HA3 -0.339 3.622 3.960 0.001 0.000 0.257 1182 G C 0.887 175.755 174.900 -0.054 0.000 0.997 1182 G CA 0.941 46.062 45.100 0.034 0.000 0.708 1182 G HN 0.687 nan 8.290 nan 0.000 0.520 1183 S N -0.985 114.696 115.700 -0.032 0.000 2.371 1183 S HA 0.054 4.524 4.470 0.001 0.000 0.224 1183 S C 2.242 176.654 174.600 -0.313 0.000 1.029 1183 S CA 1.484 59.538 58.200 -0.243 0.000 0.978 1183 S CB -0.265 62.987 63.200 0.086 0.000 0.833 1183 S HN 0.571 nan 8.310 nan 0.000 0.466 1184 M N 1.610 121.272 119.600 0.103 0.000 2.108 1184 M HA -0.125 4.355 4.480 0.001 0.000 0.261 1184 M C 2.409 178.763 176.300 0.089 0.000 1.066 1184 M CA 2.056 57.510 55.300 0.258 0.000 1.107 1184 M CB -0.283 32.517 32.600 0.332 0.000 1.356 1184 M HN 0.510 nan 8.290 nan 0.000 0.406 1185 E N -0.102 120.113 120.200 0.024 0.000 2.118 1185 E HA -0.277 4.073 4.350 0.001 0.000 0.195 1185 E C 1.798 178.364 176.600 -0.057 0.000 0.992 1185 E CA 1.621 58.019 56.400 -0.004 0.000 0.804 1185 E CB -0.029 29.666 29.700 -0.008 0.000 0.741 1185 E HN 0.628 nan 8.360 nan 0.000 0.458 1186 E N -0.561 119.530 120.200 -0.182 0.000 2.046 1186 E HA -0.150 4.200 4.350 0.001 0.000 0.190 1186 E C 1.722 178.236 176.600 -0.143 0.000 0.982 1186 E CA 1.158 57.405 56.400 -0.256 0.000 0.800 1186 E CB -0.140 29.272 29.700 -0.480 0.000 0.756 1186 E HN 0.408 nan 8.360 nan 0.000 0.449 1187 W N 1.024 122.333 121.300 0.015 0.000 2.363 1187 W HA -0.171 4.490 4.660 0.000 0.000 0.296 1187 W C 2.483 178.973 176.519 -0.049 0.000 1.212 1187 W CA 0.321 57.648 57.345 -0.030 0.000 1.260 1187 W CB -0.158 29.250 29.460 -0.087 0.000 1.131 1187 W HN 0.157 nan 8.180 nan 0.000 0.530 1188 Q N 0.430 120.323 119.800 0.156 0.000 2.061 1188 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 1188 Q C 2.508 178.548 176.000 0.066 0.000 0.984 1188 Q CA 1.840 57.690 55.803 0.079 0.000 0.846 1188 Q CB -0.621 28.149 28.738 0.053 0.000 0.902 1188 Q HN 0.342 nan 8.270 nan 0.000 0.421 1189 A N 0.425 123.275 122.820 0.050 0.000 2.015 1189 A HA -0.113 4.207 4.320 0.001 0.000 0.219 1189 A C 1.810 179.426 177.584 0.054 0.000 1.163 1189 A CA 1.113 53.172 52.037 0.036 0.000 0.646 1189 A CB -0.309 18.696 19.000 0.009 0.000 0.806 1189 A HN 0.305 nan 8.150 nan 0.000 0.448 1190 M N -1.081 118.574 119.600 0.091 0.000 2.563 1190 M HA 0.177 4.658 4.480 0.001 0.000 0.231 1190 M C 1.360 177.715 176.300 0.091 0.000 1.136 1190 M CA 0.706 56.071 55.300 0.109 0.000 1.026 1190 M CB 0.203 32.917 32.600 0.190 0.000 1.597 1190 M HN 0.602 nan 8.290 nan 0.000 0.495 1191 G N 0.291 109.137 108.800 0.076 0.000 2.179 1191 G HA2 -0.232 3.729 3.960 0.001 0.000 0.260 1191 G HA3 -0.232 3.729 3.960 0.001 0.000 0.260 1191 G C 0.192 175.114 174.900 0.036 0.000 0.977 1191 G CA 0.010 45.145 45.100 0.059 0.000 0.641 1191 G HN 0.331 nan 8.290 nan 0.000 0.533 1192 V N 2.329 122.262 119.914 0.033 0.000 2.644 1192 V HA 0.202 4.323 4.120 0.001 0.000 0.305 1192 V C 1.858 177.901 176.094 -0.085 0.000 1.053 1192 V CA 1.577 63.851 62.300 -0.043 0.000 1.186 1192 V CB 1.032 32.810 31.823 -0.075 0.000 0.895 1192 V HN 0.560 nan 8.190 nan 0.000 0.490 1193 M N 2.523 122.051 119.600 -0.121 0.000 2.516 1193 M HA 0.330 4.810 4.480 0.001 0.000 0.259 1193 M C 0.357 176.545 176.300 -0.187 0.000 1.146 1193 M CA 0.351 55.563 55.300 -0.147 0.000 1.122 1193 M CB 0.344 32.871 32.600 -0.122 0.000 1.341 1193 M HN 0.775 nan 8.290 nan 0.000 0.478 1194 N N -0.572 117.993 118.700 -0.225 0.000 2.961 1194 N HA 0.221 4.961 4.740 0.001 0.000 0.245 1194 N C -2.259 173.076 175.510 -0.292 0.000 1.404 1194 N CA -0.595 52.324 53.050 -0.219 0.000 0.880 1194 N CB 0.914 39.329 38.487 -0.121 0.000 1.461 1194 N HN 0.067 nan 8.380 nan 0.000 0.510 1195 Y N 0.021 120.250 120.300 -0.117 0.000 2.331 1195 Y HA 0.453 5.003 4.550 0.001 0.000 0.338 1195 Y C 0.406 176.228 175.900 -0.129 0.000 0.992 1195 Y CA -0.239 57.774 58.100 -0.145 0.000 1.121 1195 Y CB 1.419 39.771 38.460 -0.181 0.000 1.184 1195 Y HN 0.764 nan 8.280 nan 0.000 0.469 1196 E N 0.329 120.564 120.200 0.059 0.000 2.433 1196 E HA 0.575 4.926 4.350 0.001 0.000 0.264 1196 E C -0.868 175.738 176.600 0.009 0.000 0.960 1196 E CA -0.773 55.639 56.400 0.020 0.000 0.866 1196 E CB 1.290 30.994 29.700 0.005 0.000 1.615 1196 E HN 0.454 nan 8.360 nan 0.000 0.442 1197 M N 0.117 119.722 119.600 0.009 0.000 2.340 1197 M HA 0.235 4.716 4.480 0.001 0.000 0.345 1197 M C -0.045 176.256 176.300 0.001 0.000 1.008 1197 M CA 0.003 55.306 55.300 0.005 0.000 0.987 1197 M CB 0.851 33.464 32.600 0.021 0.000 1.598 1197 M HN 0.653 nan 8.290 nan 0.000 0.569 1198 E N -0.910 119.288 120.200 -0.004 0.000 2.712 1198 E HA 0.126 4.477 4.350 0.001 0.000 0.221 1198 E C 0.992 177.580 176.600 -0.021 0.000 0.943 1198 E CA 0.672 57.066 56.400 -0.010 0.000 1.259 1198 E CB -0.266 29.430 29.700 -0.005 0.000 1.167 1198 E HN 0.271 nan 8.360 nan 0.000 0.569 1199 S N 1.583 117.271 115.700 -0.020 0.000 2.368 1199 S HA 0.010 4.481 4.470 0.001 0.000 0.224 1199 S C 2.252 176.836 174.600 -0.027 0.000 1.029 1199 S CA 0.988 59.173 58.200 -0.025 0.000 0.988 1199 S CB -0.280 62.906 63.200 -0.025 0.000 0.838 1199 S HN 0.305 nan 8.310 nan 0.000 0.462 1200 A N 1.895 124.702 122.820 -0.022 0.000 1.883 1200 A HA -0.050 4.271 4.320 0.001 0.000 0.217 1200 A C 2.443 180.022 177.584 -0.008 0.000 1.186 1200 A CA 2.205 54.238 52.037 -0.008 0.000 0.624 1200 A CB -1.750 17.250 19.000 -0.000 0.000 0.822 1200 A HN 0.566 nan 8.150 nan 0.000 0.444 1201 T N 0.074 114.616 114.554 -0.021 0.000 2.643 1201 T HA -0.154 4.196 4.350 0.001 0.000 0.264 1201 T C 1.888 176.509 174.700 -0.131 0.000 1.045 1201 T CA 1.615 63.688 62.100 -0.045 0.000 1.155 1201 T CB -0.483 68.363 68.868 -0.035 0.000 0.863 1201 T HN 0.361 nan 8.240 nan 0.000 0.420 1202 L N 0.763 121.911 121.223 -0.126 0.000 2.012 1202 L HA -0.054 4.287 4.340 0.001 0.000 0.210 1202 L C 2.081 178.860 176.870 -0.152 0.000 1.073 1202 L CA 1.685 56.419 54.840 -0.176 0.000 0.748 1202 L CB -0.777 41.209 42.059 -0.120 0.000 0.891 1202 L HN 0.115 nan 8.230 nan 0.000 0.431 1203 L N -0.693 120.487 121.223 -0.072 0.000 2.093 1203 L HA -0.145 4.195 4.340 0.001 0.000 0.208 1203 L C 2.463 179.335 176.870 0.005 0.000 1.085 1203 L CA 2.144 56.972 54.840 -0.020 0.000 0.755 1203 L CB -1.480 40.586 42.059 0.011 0.000 0.904 1203 L HN 0.332 nan 8.230 nan 0.000 0.435 1204 T N -0.159 114.391 114.554 -0.005 0.000 2.701 1204 T HA -0.216 4.135 4.350 0.001 0.000 0.263 1204 T C 1.809 176.427 174.700 -0.136 0.000 1.040 1204 T CA 1.783 63.900 62.100 0.029 0.000 1.147 1204 T CB -0.276 68.625 68.868 0.055 0.000 0.865 1204 T HN 0.466 nan 8.240 nan 0.000 0.426 1205 M N 0.277 119.670 119.600 -0.346 0.000 2.296 1205 M HA 0.003 4.484 4.480 0.001 0.000 0.265 1205 M C 2.164 178.212 176.300 -0.419 0.000 1.064 1205 M CA 1.415 56.290 55.300 -0.709 0.000 1.109 1205 M CB -1.019 30.684 32.600 -1.494 0.000 1.396 1205 M HN 0.179 nan 8.290 nan 0.000 0.430 1206 C N 1.274 120.417 119.300 -0.261 0.000 2.518 1206 C HA 0.197 4.658 4.460 0.001 0.000 0.279 1206 C C 3.272 178.256 174.990 -0.009 0.000 1.279 1206 C CA 0.970 59.916 59.018 -0.119 0.000 1.703 1206 C CB -1.059 26.642 27.740 -0.065 0.000 2.072 1206 C HN 0.760 nan 8.230 nan 0.000 0.487 1207 A N 1.036 123.883 122.820 0.046 0.000 2.019 1207 A HA -0.128 4.192 4.320 0.001 0.000 0.219 1207 A C 2.126 179.826 177.584 0.192 0.000 1.164 1207 A CA 2.108 54.242 52.037 0.162 0.000 0.644 1207 A CB -0.602 18.559 19.000 0.267 0.000 0.805 1207 A HN 0.715 nan 8.150 nan 0.000 0.449 1208 S N -2.034 113.673 115.700 0.012 0.000 2.575 1208 S HA 0.180 4.651 4.470 0.001 0.000 0.215 1208 S C 0.948 175.519 174.600 -0.048 0.000 0.966 1208 S CA 0.295 58.408 58.200 -0.145 0.000 0.911 1208 S CB 0.113 62.994 63.200 -0.532 0.000 0.780 1208 S HN 0.623 nan 8.310 nan 0.000 0.514 1209 Q N -0.070 119.726 119.800 -0.008 0.000 2.064 1209 Q HA 0.318 4.659 4.340 0.001 0.000 0.213 1209 Q C 0.751 176.776 176.000 0.041 0.000 0.779 1209 Q CA 0.151 55.963 55.803 0.015 0.000 1.032 1209 Q CB 1.118 29.853 28.738 -0.005 0.000 1.203 1209 Q HN 0.651 nan 8.270 nan 0.000 0.457 1210 G N 1.060 109.894 108.800 0.057 0.000 2.148 1210 G HA2 -0.236 3.724 3.960 0.001 0.000 0.254 1210 G HA3 -0.236 3.724 3.960 0.001 0.000 0.254 1210 G C -0.100 174.847 174.900 0.078 0.000 0.981 1210 G CA 0.003 45.143 45.100 0.067 0.000 0.670 1210 G HN 0.172 nan 8.290 nan 0.000 0.528 1211 L N 0.197 121.473 121.223 0.089 0.000 2.357 1211 L HA 0.592 4.933 4.340 0.001 0.000 0.273 1211 L C 1.097 178.050 176.870 0.137 0.000 1.080 1211 L CA -0.682 54.244 54.840 0.143 0.000 0.803 1211 L CB 1.029 43.220 42.059 0.219 0.000 1.174 1211 L HN 0.196 nan 8.230 nan 0.000 0.443 1212 R N 1.445 122.037 120.500 0.152 0.000 2.368 1212 R HA 0.780 5.121 4.340 0.001 0.000 0.302 1212 R C -0.679 175.725 176.300 0.174 0.000 1.002 1212 R CA -0.553 55.622 56.100 0.125 0.000 0.929 1212 R CB 1.498 31.845 30.300 0.078 0.000 1.073 1212 R HN 0.759 nan 8.270 nan 0.000 0.464 1213 A N 1.351 124.248 122.820 0.127 0.000 2.449 1213 A HA 0.782 5.103 4.320 0.001 0.000 0.302 1213 A C -0.743 176.885 177.584 0.073 0.000 1.048 1213 A CA -0.678 51.435 52.037 0.127 0.000 0.708 1213 A CB 2.156 21.205 19.000 0.081 0.000 1.274 1213 A HN 0.762 nan 8.150 nan 0.000 0.410 1214 G N -0.078 108.762 108.800 0.066 0.000 2.563 1214 G HA2 0.660 4.620 3.960 0.001 0.000 0.302 1214 G HA3 0.660 4.620 3.960 0.001 0.000 0.302 1214 G C -1.198 173.718 174.900 0.027 0.000 1.301 1214 G CA -0.560 44.559 45.100 0.031 0.000 0.965 1214 G HN 0.989 nan 8.290 nan 0.000 0.480 1215 M N 2.276 121.881 119.600 0.009 0.000 2.165 1215 M HA 0.657 5.137 4.480 0.001 0.000 0.283 1215 M C -1.789 174.508 176.300 -0.005 0.000 0.978 1215 M CA -0.973 54.329 55.300 0.004 0.000 0.948 1215 M CB 1.612 34.210 32.600 -0.002 0.000 1.599 1215 M HN 0.606 nan 8.290 nan 0.000 0.450 1216 V N 4.181 124.093 119.914 -0.004 0.000 2.789 1216 V HA 1.050 5.170 4.120 0.001 0.000 0.311 1216 V C -1.549 174.540 176.094 -0.009 0.000 1.073 1216 V CA 0.096 62.389 62.300 -0.011 0.000 0.921 1216 V CB 1.962 33.777 31.823 -0.014 0.000 1.009 1216 V HN 1.152 nan 8.190 nan 0.000 0.426 1217 A N 3.654 126.466 122.820 -0.014 0.000 2.572 1217 A HA 0.906 5.226 4.320 0.001 0.000 0.295 1217 A C -0.315 177.258 177.584 -0.018 0.000 1.072 1217 A CA -0.146 51.884 52.037 -0.012 0.000 0.691 1217 A CB 1.880 20.874 19.000 -0.010 0.000 1.291 1217 A HN 1.565 nan 8.150 nan 0.000 0.404 1218 G N 0.045 108.839 108.800 -0.011 0.000 2.343 1218 G HA2 0.527 4.487 3.960 0.001 0.000 0.319 1218 G HA3 0.527 4.487 3.960 0.001 0.000 0.319 1218 G C -0.535 174.361 174.900 -0.007 0.000 1.126 1218 G CA -0.376 44.716 45.100 -0.013 0.000 0.889 1218 G HN 0.919 nan 8.290 nan 0.000 0.457 1219 V N 4.044 123.950 119.914 -0.014 0.000 2.421 1219 V HA 0.049 4.170 4.120 0.001 0.000 0.271 1219 V C 1.436 177.530 176.094 0.001 0.000 1.031 1219 V CA 0.196 62.489 62.300 -0.013 0.000 1.032 1219 V CB 0.315 32.121 31.823 -0.027 0.000 1.009 1219 V HN 0.760 nan 8.190 nan 0.000 0.477 1220 I N 3.445 124.020 120.570 0.008 0.000 3.854 1220 I HA 0.427 4.597 4.170 0.001 0.000 0.312 1220 I C 0.425 176.553 176.117 0.019 0.000 1.273 1220 I CA 0.513 61.825 61.300 0.018 0.000 1.298 1220 I CB 0.795 38.812 38.000 0.029 0.000 1.071 1220 I HN 0.420 nan 8.210 nan 0.000 0.428 1221 V N 1.395 121.315 119.914 0.011 0.000 3.012 1221 V HA 0.462 4.582 4.120 0.001 0.000 0.307 1221 V C -1.746 174.344 176.094 -0.006 0.000 1.166 1221 V CA -0.607 61.698 62.300 0.008 0.000 0.974 1221 V CB 2.357 34.190 31.823 0.017 0.000 1.040 1221 V HN 0.362 nan 8.190 nan 0.000 0.428 1222 N N 4.432 123.128 118.700 -0.007 0.000 2.372 1222 N HA 0.412 5.152 4.740 0.001 0.000 0.285 1222 N C 0.400 175.910 175.510 0.000 0.000 1.008 1222 N CA -0.630 52.410 53.050 -0.016 0.000 0.880 1222 N CB 1.922 40.391 38.487 -0.029 0.000 1.239 1222 N HN 0.612 nan 8.380 nan 0.000 0.484 1223 R N 0.964 121.469 120.500 0.009 0.000 2.307 1223 R HA -0.005 4.336 4.340 0.001 0.000 0.199 1223 R C 1.211 177.530 176.300 0.031 0.000 1.000 1223 R CA 0.736 56.855 56.100 0.030 0.000 1.023 1223 R CB -0.356 29.983 30.300 0.066 0.000 0.908 1223 R HN 0.657 nan 8.270 nan 0.000 0.473 1224 T N -3.176 111.388 114.554 0.016 0.000 3.069 1224 T HA 0.172 4.522 4.350 0.001 0.000 0.252 1224 T C 0.653 175.361 174.700 0.013 0.000 1.053 1224 T CA -0.144 61.966 62.100 0.017 0.000 0.964 1224 T CB 0.462 69.336 68.868 0.010 0.000 1.005 1224 T HN 0.049 nan 8.240 nan 0.000 0.532 1225 Q N 0.907 120.714 119.800 0.012 0.000 2.348 1225 Q HA 0.350 4.690 4.340 0.001 0.000 0.271 1225 Q C 0.690 176.699 176.000 0.016 0.000 1.067 1225 Q CA -0.989 54.821 55.803 0.012 0.000 0.839 1225 Q CB 1.932 30.674 28.738 0.007 0.000 1.354 1225 Q HN 0.226 nan 8.270 nan 0.000 0.447 1226 Q N 0.421 120.231 119.800 0.016 0.000 2.302 1226 Q HA -0.037 4.303 4.340 0.001 0.000 0.202 1226 Q C -0.327 175.685 176.000 0.019 0.000 0.936 1226 Q CA 0.670 56.484 55.803 0.018 0.000 0.886 1226 Q CB -0.188 28.559 28.738 0.016 0.000 0.986 1226 Q HN 0.724 nan 8.270 nan 0.000 0.487 1227 E N 2.185 122.395 120.200 0.017 0.000 2.351 1227 E HA 0.261 4.611 4.350 0.001 0.000 0.266 1227 E C -0.522 176.090 176.600 0.019 0.000 1.031 1227 E CA -0.089 56.321 56.400 0.017 0.000 0.911 1227 E CB 0.526 30.235 29.700 0.015 0.000 0.986 1227 E HN 0.078 nan 8.360 nan 0.000 0.446 1228 I N 4.210 124.792 120.570 0.021 0.000 2.382 1228 I HA 0.266 4.436 4.170 0.001 0.000 0.286 1228 I C -2.078 174.052 176.117 0.022 0.000 1.002 1228 I CA -2.554 58.761 61.300 0.024 0.000 1.135 1228 I CB 0.630 38.648 38.000 0.031 0.000 1.288 1228 I HN 0.490 nan 8.210 nan 0.000 0.448 1229 P HA 0.259 nan 4.420 nan 0.000 0.268 1229 P C 0.483 177.795 177.300 0.019 0.000 1.204 1229 P CA 0.394 63.505 63.100 0.019 0.000 0.768 1229 P CB 0.567 32.278 31.700 0.020 0.000 0.842 1230 N N 1.262 119.971 118.700 0.016 0.000 1.210 1230 N HA -0.284 4.457 4.740 0.001 0.000 0.127 1230 N C 0.550 176.066 175.510 0.010 0.000 0.844 1230 N CA 1.831 54.888 53.050 0.013 0.000 0.899 1230 N CB -1.386 37.107 38.487 0.011 0.000 1.086 1230 N HN 0.433 nan 8.380 nan 0.000 0.588 1231 A N -0.259 122.565 122.820 0.008 0.000 2.390 1231 A HA 0.194 4.515 4.320 0.001 0.000 0.225 1231 A C 1.152 178.740 177.584 0.007 0.000 1.232 1231 A CA 0.426 52.466 52.037 0.005 0.000 0.964 1231 A CB 0.120 19.121 19.000 0.002 0.000 1.064 1231 A HN 0.516 nan 8.150 nan 0.000 0.525 1232 E N 0.815 121.021 120.200 0.010 0.000 2.333 1232 E HA -0.152 4.199 4.350 0.001 0.000 0.200 1232 E C 1.468 178.079 176.600 0.017 0.000 1.010 1232 E CA 1.480 57.889 56.400 0.014 0.000 0.841 1232 E CB -0.883 28.827 29.700 0.017 0.000 0.757 1232 E HN 0.546 nan 8.360 nan 0.000 0.508 1233 T N 2.061 116.625 114.554 0.016 0.000 2.529 1233 T HA -0.182 4.169 4.350 0.001 0.000 0.261 1233 T C 1.137 175.845 174.700 0.014 0.000 1.110 1233 T CA 1.917 64.027 62.100 0.018 0.000 1.192 1233 T CB -0.212 68.667 68.868 0.018 0.000 0.864 1233 T HN 0.229 nan 8.240 nan 0.000 0.407 1234 M N 0.840 120.444 119.600 0.007 0.000 3.561 1234 M HA 0.584 5.064 4.480 0.001 0.000 0.230 1234 M C 0.339 176.638 176.300 -0.002 0.000 1.387 1234 M CA -0.128 55.172 55.300 0.000 0.000 1.570 1234 M CB 0.711 33.307 32.600 -0.007 0.000 1.057 1234 M HN -0.111 nan 8.290 nan 0.000 0.607 1235 K N 0.578 120.980 120.400 0.004 0.000 2.890 1235 K HA 0.296 4.616 4.320 0.001 0.000 0.202 1235 K C 1.345 177.946 176.600 0.001 0.000 1.592 1235 K CA 0.878 57.167 56.287 0.002 0.000 1.197 1235 K CB 0.489 32.993 32.500 0.006 0.000 1.913 1235 K HN 0.512 nan 8.250 nan 0.000 0.550 1236 Q N -0.807 119.000 119.800 0.012 0.000 2.511 1236 Q HA 0.160 4.501 4.340 0.001 0.000 0.236 1236 Q C 1.358 177.396 176.000 0.065 0.000 0.893 1236 Q CA 1.021 56.834 55.803 0.017 0.000 0.947 1236 Q CB 0.748 29.495 28.738 0.014 0.000 1.110 1236 Q HN 0.170 nan 8.270 nan 0.000 0.591 1237 T N 1.770 116.367 114.554 0.071 0.000 2.708 1237 T HA -0.194 4.157 4.350 0.001 0.000 0.266 1237 T C 1.643 176.390 174.700 0.077 0.000 1.037 1237 T CA 1.543 63.696 62.100 0.088 0.000 1.146 1237 T CB -0.150 68.748 68.868 0.049 0.000 0.865 1237 T HN 0.290 nan 8.240 nan 0.000 0.435 1238 E N 0.671 120.897 120.200 0.044 0.000 2.051 1238 E HA -0.128 4.222 4.350 0.001 0.000 0.192 1238 E C 2.408 179.028 176.600 0.033 0.000 0.991 1238 E CA 1.194 57.611 56.400 0.028 0.000 0.799 1238 E CB -0.060 29.645 29.700 0.009 0.000 0.748 1238 E HN 0.335 nan 8.360 nan 0.000 0.449 1239 S N -0.680 115.038 115.700 0.029 0.000 2.382 1239 S HA -0.190 4.281 4.470 0.001 0.000 0.228 1239 S C 1.640 176.271 174.600 0.052 0.000 1.027 1239 S CA 1.226 59.435 58.200 0.015 0.000 0.991 1239 S CB -0.413 62.779 63.200 -0.015 0.000 0.823 1239 S HN 0.435 nan 8.310 nan 0.000 0.469 1240 H N 0.766 119.826 119.070 -0.015 0.000 2.293 1240 H HA -0.059 4.497 4.556 0.001 0.000 0.300 1240 H C 2.294 177.614 175.328 -0.014 0.000 1.082 1240 H CA 1.222 57.262 56.048 -0.013 0.000 1.308 1240 H CB -0.155 29.602 29.762 -0.008 0.000 1.375 1240 H HN 0.423 nan 8.280 nan 0.000 0.495 1241 A N -0.060 122.840 122.820 0.133 0.000 1.969 1241 A HA -0.101 4.219 4.320 0.001 0.000 0.218 1241 A C 2.574 180.179 177.584 0.035 0.000 1.169 1241 A CA 1.300 53.363 52.037 0.044 0.000 0.635 1241 A CB -0.637 18.371 19.000 0.013 0.000 0.810 1241 A HN 0.310 nan 8.150 nan 0.000 0.445 1242 V N 0.143 120.077 119.914 0.032 0.000 2.343 1242 V HA -0.282 3.839 4.120 0.001 0.000 0.247 1242 V C 2.457 178.557 176.094 0.010 0.000 1.051 1242 V CA 2.374 64.680 62.300 0.009 0.000 1.036 1242 V CB -0.621 31.197 31.823 -0.009 0.000 0.654 1242 V HN 0.550 nan 8.190 nan 0.000 0.451 1243 K N -0.378 120.036 120.400 0.024 0.000 2.063 1243 K HA -0.139 4.181 4.320 0.001 0.000 0.208 1243 K C 2.002 178.617 176.600 0.024 0.000 1.048 1243 K CA 1.633 57.932 56.287 0.019 0.000 0.928 1243 K CB -0.285 32.228 32.500 0.023 0.000 0.713 1243 K HN 0.406 nan 8.250 nan 0.000 0.442 1244 I N 0.049 120.643 120.570 0.040 0.000 2.252 1244 I HA -0.237 3.933 4.170 0.001 0.000 0.245 1244 I C 2.295 178.414 176.117 0.004 0.000 1.102 1244 I CA 0.733 62.047 61.300 0.023 0.000 1.385 1244 I CB -0.162 37.850 38.000 0.020 0.000 1.064 1244 I HN -0.014 nan 8.210 nan 0.000 0.414 1245 V N 0.333 120.248 119.914 0.003 0.000 2.427 1245 V HA -0.196 3.924 4.120 0.001 0.000 0.248 1245 V C 2.352 178.443 176.094 -0.005 0.000 1.051 1245 V CA 1.651 63.950 62.300 -0.002 0.000 1.048 1245 V CB 0.153 31.977 31.823 0.002 0.000 0.666 1245 V HN 0.209 nan 8.190 nan 0.000 0.456 1246 V N 0.114 120.025 119.914 -0.005 0.000 2.307 1246 V HA -0.198 3.923 4.120 0.001 0.000 0.245 1246 V C 2.518 178.607 176.094 -0.008 0.000 1.045 1246 V CA 2.257 64.552 62.300 -0.007 0.000 1.024 1246 V CB -0.659 31.158 31.823 -0.010 0.000 0.651 1246 V HN 0.691 nan 8.190 nan 0.000 0.449 1247 E N 0.895 121.091 120.200 -0.007 0.000 2.153 1247 E HA -0.169 4.181 4.350 0.001 0.000 0.194 1247 E C 2.048 178.640 176.600 -0.014 0.000 0.988 1247 E CA 1.607 58.002 56.400 -0.008 0.000 0.811 1247 E CB -0.405 29.292 29.700 -0.004 0.000 0.746 1247 E HN 0.520 nan 8.360 nan 0.000 0.466 1248 A N 0.618 123.428 122.820 -0.016 0.000 1.930 1248 A HA 0.055 4.375 4.320 0.001 0.000 0.217 1248 A C 2.413 179.981 177.584 -0.025 0.000 1.175 1248 A CA 1.642 53.664 52.037 -0.025 0.000 0.627 1248 A CB -0.854 18.131 19.000 -0.026 0.000 0.815 1248 A HN 0.380 nan 8.150 nan 0.000 0.443 1249 A N 0.232 123.040 122.820 -0.020 0.000 1.972 1249 A HA -0.163 4.158 4.320 0.001 0.000 0.219 1249 A C 2.156 179.727 177.584 -0.022 0.000 1.169 1249 A CA 1.382 53.406 52.037 -0.022 0.000 0.635 1249 A CB -0.469 18.520 19.000 -0.018 0.000 0.810 1249 A HN 0.589 nan 8.150 nan 0.000 0.446 1250 R N -0.553 119.936 120.500 -0.018 0.000 2.127 1250 R HA -0.118 4.222 4.340 0.001 0.000 0.238 1250 R C 1.912 178.201 176.300 -0.018 0.000 1.134 1250 R CA 1.595 57.685 56.100 -0.016 0.000 0.975 1250 R CB -0.262 30.030 30.300 -0.013 0.000 0.865 1250 R HN 0.478 nan 8.270 nan 0.000 0.447 1251 R N 0.238 120.724 120.500 -0.023 0.000 2.297 1251 R HA 0.123 4.463 4.340 0.001 0.000 0.197 1251 R C 1.105 177.390 176.300 -0.026 0.000 0.943 1251 R CA 0.392 56.477 56.100 -0.025 0.000 1.038 1251 R CB 0.296 30.576 30.300 -0.032 0.000 0.957 1251 R HN 0.151 nan 8.270 nan 0.000 0.484 1252 L N 0.549 121.756 121.223 -0.027 0.000 2.910 1252 L HA 0.286 4.627 4.340 0.001 0.000 0.252 1252 L C -0.017 176.838 176.870 -0.026 0.000 1.195 1252 L CA -0.175 54.649 54.840 -0.027 0.000 1.003 1252 L CB 0.225 42.265 42.059 -0.032 0.000 1.328 1252 L HN 0.032 nan 8.230 nan 0.000 0.540 1253 L N 0.000 121.210 121.223 -0.022 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.001 0.000 0.249 1253 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 1253 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502