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 3ml9_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKXX XXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXTVS LWDCDRKFRV KIRGIDIPVL XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXVRLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXSFNADKLT SATNPDKENS MSISILLDNY CHPIALPKXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS XXXXDVSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHILGNYX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.606 174.600 0.010 0.000 1.055 144 S CA 0.000 58.202 58.200 0.003 0.000 1.107 144 S CB 0.000 63.201 63.200 0.001 0.000 0.593 145 E N 1.275 121.480 120.200 0.009 0.000 3.203 145 E HA 0.170 4.532 4.350 0.020 0.000 0.200 145 E C 1.299 177.913 176.600 0.025 0.000 1.089 145 E CA 0.085 56.495 56.400 0.018 0.000 1.430 145 E CB -0.078 29.630 29.700 0.013 0.000 1.328 145 E HN 0.555 nan 8.360 nan 0.000 0.580 146 E N 1.194 121.401 120.200 0.012 0.000 2.160 146 E HA -0.092 4.269 4.350 0.020 0.000 0.195 146 E C 1.040 177.648 176.600 0.012 0.000 0.991 146 E CA 1.263 57.670 56.400 0.012 0.000 0.810 146 E CB -0.055 29.639 29.700 -0.009 0.000 0.742 146 E HN 0.168 nan 8.360 nan 0.000 0.466 147 S N -0.309 115.386 115.700 -0.009 0.000 2.699 147 S HA 0.220 4.702 4.470 0.020 0.000 0.251 147 S C 0.900 175.536 174.600 0.060 0.000 1.179 147 S CA -0.279 57.908 58.200 -0.022 0.000 1.200 147 S CB 0.718 63.877 63.200 -0.068 0.000 0.848 147 S HN 0.156 nan 8.310 nan 0.000 0.472 148 Q N -1.087 118.771 119.800 0.095 0.000 1.891 148 Q HA 0.322 4.674 4.340 0.020 0.000 0.206 148 Q C 1.421 177.478 176.000 0.095 0.000 0.710 148 Q CA 0.579 56.438 55.803 0.094 0.000 0.840 148 Q CB 0.101 28.869 28.738 0.051 0.000 1.211 148 Q HN 0.640 nan 8.270 nan 0.000 0.424 149 A N 0.149 123.032 122.820 0.104 0.000 2.081 149 A HA -0.013 4.319 4.320 0.020 0.000 0.214 149 A C 1.450 179.113 177.584 0.131 0.000 1.158 149 A CA 0.170 52.260 52.037 0.088 0.000 0.724 149 A CB -0.429 18.613 19.000 0.070 0.000 0.826 149 A HN 0.437 nan 8.150 nan 0.000 0.463 150 F N 1.287 121.238 119.950 0.001 0.000 2.063 150 F HA -0.313 4.226 4.527 0.020 0.000 0.298 150 F C 2.302 178.105 175.800 0.005 0.000 1.109 150 F CA 2.479 60.481 58.000 0.004 0.000 1.212 150 F CB -0.563 38.437 39.000 0.000 0.000 0.973 150 F HN 0.356 nan 8.300 nan 0.000 0.480 151 Q N 0.455 120.260 119.800 0.007 0.000 2.297 151 Q HA -0.202 4.150 4.340 0.020 0.000 0.208 151 Q C 2.038 177.968 176.000 -0.116 0.000 0.981 151 Q CA 1.680 57.418 55.803 -0.108 0.000 0.876 151 Q CB -0.256 28.481 28.738 -0.003 0.000 0.921 151 Q HN 0.437 nan 8.270 nan 0.000 0.446 152 R N -0.725 119.737 120.500 -0.063 0.000 2.189 152 R HA -0.044 4.308 4.340 0.020 0.000 0.218 152 R C 2.147 178.402 176.300 -0.076 0.000 1.074 152 R CA 1.310 57.378 56.100 -0.053 0.000 0.991 152 R CB -0.106 30.184 30.300 -0.016 0.000 0.883 152 R HN 0.428 nan 8.270 nan 0.000 0.457 153 Q N 0.546 120.274 119.800 -0.120 0.000 2.123 153 Q HA -0.023 4.329 4.340 0.020 0.000 0.196 153 Q C 1.889 177.779 176.000 -0.182 0.000 0.958 153 Q CA 0.829 56.556 55.803 -0.127 0.000 0.841 153 Q CB 0.163 28.834 28.738 -0.113 0.000 0.915 153 Q HN 0.311 nan 8.270 nan 0.000 0.455 154 L N 0.219 121.249 121.223 -0.322 0.000 2.012 154 L HA -0.189 4.163 4.340 0.020 0.000 0.210 154 L C 2.344 179.134 176.870 -0.134 0.000 1.073 154 L CA 1.650 56.331 54.840 -0.266 0.000 0.748 154 L CB -0.643 41.205 42.059 -0.351 0.000 0.891 154 L HN 0.235 nan 8.230 nan 0.000 0.431 155 T N -0.314 114.170 114.554 -0.116 0.000 2.996 155 T HA -0.116 4.246 4.350 0.020 0.000 0.271 155 T C 1.762 176.430 174.700 -0.054 0.000 1.126 155 T CA 1.024 63.081 62.100 -0.072 0.000 1.103 155 T CB -0.097 68.725 68.868 -0.076 0.000 0.870 155 T HN 0.470 nan 8.240 nan 0.000 0.528 156 A N 0.862 123.647 122.820 -0.058 0.000 1.887 156 A HA 0.265 4.597 4.320 0.020 0.000 0.212 156 A C 2.196 179.768 177.584 -0.020 0.000 1.198 156 A CA 0.454 52.472 52.037 -0.032 0.000 0.628 156 A CB -0.452 18.532 19.000 -0.027 0.000 0.847 156 A HN 0.426 nan 8.150 nan 0.000 0.449 157 L N -0.359 120.851 121.223 -0.022 0.000 2.093 157 L HA -0.113 4.239 4.340 0.020 0.000 0.208 157 L C 2.418 179.256 176.870 -0.054 0.000 1.085 157 L CA 1.072 55.928 54.840 0.027 0.000 0.755 157 L CB -0.489 41.617 42.059 0.078 0.000 0.904 157 L HN 0.376 nan 8.230 nan 0.000 0.435 158 I N -0.459 120.064 120.570 -0.078 0.000 2.233 158 I HA -0.131 4.051 4.170 0.020 0.000 0.243 158 I C 1.695 177.762 176.117 -0.083 0.000 1.093 158 I CA 1.235 62.463 61.300 -0.120 0.000 1.380 158 I CB -0.449 37.527 38.000 -0.040 0.000 1.067 158 I HN 0.458 nan 8.210 nan 0.000 0.413 159 G N -0.161 108.628 108.800 -0.018 0.000 2.141 159 G HA2 -0.307 3.665 3.960 0.020 0.000 0.231 159 G HA3 -0.307 3.665 3.960 0.020 0.000 0.231 159 G C -0.077 174.889 174.900 0.110 0.000 0.984 159 G CA 0.065 45.178 45.100 0.022 0.000 0.660 159 G HN 0.411 nan 8.290 nan 0.000 0.525 160 Y N 0.040 120.314 120.300 -0.042 0.000 2.558 160 Y HA 0.534 5.096 4.550 0.020 0.000 0.333 160 Y C -1.521 174.360 175.900 -0.031 0.000 1.125 160 Y CA -1.040 57.044 58.100 -0.026 0.000 1.039 160 Y CB 1.935 40.387 38.460 -0.014 0.000 1.331 160 Y HN 0.031 nan 8.280 nan 0.000 0.456 161 D N 4.234 124.245 120.400 -0.647 0.000 2.422 161 D HA 0.150 4.802 4.640 0.020 0.000 0.227 161 D C 1.055 177.194 176.300 -0.268 0.000 1.190 161 D CA 0.093 53.862 54.000 -0.384 0.000 0.905 161 D CB 1.061 41.637 40.800 -0.373 0.000 1.034 161 D HN 0.524 nan 8.370 nan 0.000 0.507 162 V N 1.875 121.805 119.914 0.027 0.000 2.913 162 V HA -0.126 4.006 4.120 0.020 0.000 0.260 162 V C 1.841 177.975 176.094 0.066 0.000 1.098 162 V CA 1.846 64.236 62.300 0.151 0.000 1.121 162 V CB -1.341 30.548 31.823 0.111 0.000 0.714 162 V HN 0.600 nan 8.190 nan 0.000 0.487 163 T N -3.270 111.284 114.554 -0.001 0.000 3.043 163 T HA -0.019 4.343 4.350 0.020 0.000 0.263 163 T C 0.966 175.659 174.700 -0.011 0.000 1.094 163 T CA 0.444 62.544 62.100 -0.000 0.000 1.127 163 T CB -0.428 68.434 68.868 -0.011 0.000 0.905 163 T HN 0.582 nan 8.240 nan 0.000 0.490 164 D N 0.737 121.106 120.400 -0.051 0.000 2.351 164 D HA -0.036 4.616 4.640 0.020 0.000 0.232 164 D C 0.526 176.827 176.300 0.002 0.000 1.275 164 D CA 0.467 54.433 54.000 -0.057 0.000 0.882 164 D CB 0.837 41.549 40.800 -0.147 0.000 1.221 164 D HN 0.120 nan 8.370 nan 0.000 0.485 165 V N 0.630 120.547 119.914 0.005 0.000 3.509 165 V HA -0.095 4.036 4.120 0.020 0.000 0.286 165 V C 1.803 177.913 176.094 0.027 0.000 1.618 165 V CA 0.508 62.823 62.300 0.026 0.000 1.088 165 V CB 0.227 32.064 31.823 0.025 0.000 0.909 165 V HN 0.648 nan 8.190 nan 0.000 0.429 166 S N 0.436 116.142 115.700 0.011 0.000 2.493 166 S HA -0.083 4.399 4.470 0.020 0.000 0.243 166 S C 1.089 175.698 174.600 0.016 0.000 0.991 166 S CA 1.827 60.029 58.200 0.004 0.000 0.957 166 S CB -0.246 62.942 63.200 -0.020 0.000 0.756 166 S HN 0.532 nan 8.310 nan 0.000 0.521 167 N N 0.168 118.893 118.700 0.043 0.000 2.610 167 N HA 0.415 5.167 4.740 0.020 0.000 0.307 167 N C -1.377 174.179 175.510 0.077 0.000 1.813 167 N CA -0.248 52.834 53.050 0.055 0.000 0.901 167 N CB 1.276 39.796 38.487 0.054 0.000 1.354 167 N HN 0.208 nan 8.380 nan 0.000 0.491 168 V N 1.038 120.997 119.914 0.075 0.000 3.040 168 V HA 0.460 4.592 4.120 0.020 0.000 0.312 168 V C -0.174 175.982 176.094 0.103 0.000 1.115 168 V CA -0.619 61.706 62.300 0.042 0.000 0.998 168 V CB 1.948 33.775 31.823 0.007 0.000 1.042 168 V HN 0.574 nan 8.190 nan 0.000 0.433 169 H N 1.260 120.412 119.070 0.137 0.000 2.662 169 H HA 0.444 5.012 4.556 0.019 0.000 0.268 169 H C -0.750 174.699 175.328 0.202 0.000 1.152 169 H CA 0.130 56.280 56.048 0.170 0.000 1.072 169 H CB 0.647 30.560 29.762 0.251 0.000 1.660 169 H HN 0.782 nan 8.280 nan 0.000 0.584 170 D N -0.226 120.175 120.400 0.002 0.000 2.851 170 D HA 0.017 4.668 4.640 0.020 0.000 0.339 170 D C -0.514 175.834 176.300 0.080 0.000 1.347 170 D CA -0.536 53.526 54.000 0.103 0.000 0.888 170 D CB 0.133 41.036 40.800 0.172 0.000 1.431 170 D HN -0.032 nan 8.370 nan 0.000 0.509 171 D N -1.233 119.259 120.400 0.153 0.000 2.615 171 D HA 0.086 4.738 4.640 0.020 0.000 0.236 171 D C 0.483 176.794 176.300 0.018 0.000 1.233 171 D CA -0.264 53.812 54.000 0.128 0.000 0.829 171 D CB 0.330 41.244 40.800 0.191 0.000 1.024 171 D HN 0.523 nan 8.370 nan 0.000 0.490 172 E N 0.294 120.382 120.200 -0.187 0.000 2.072 172 E HA -0.074 4.288 4.350 0.020 0.000 0.190 172 E C 1.817 178.424 176.600 0.011 0.000 0.982 172 E CA 0.478 56.553 56.400 -0.541 0.000 0.803 172 E CB 0.185 29.659 29.700 -0.375 0.000 0.755 172 E HN 0.325 nan 8.360 nan 0.000 0.453 173 L N 0.783 122.041 121.223 0.058 0.000 2.017 173 L HA -0.191 4.161 4.340 0.020 0.000 0.208 173 L C 2.481 179.378 176.870 0.045 0.000 1.073 173 L CA 1.116 55.952 54.840 -0.007 0.000 0.745 173 L CB -0.297 41.703 42.059 -0.099 0.000 0.894 173 L HN 0.024 nan 8.230 nan 0.000 0.432 174 E N -0.126 120.114 120.200 0.066 0.000 2.058 174 E HA -0.258 4.103 4.350 0.020 0.000 0.194 174 E C 1.890 178.562 176.600 0.121 0.000 0.997 174 E CA 1.397 57.847 56.400 0.084 0.000 0.801 174 E CB -0.460 29.297 29.700 0.095 0.000 0.746 174 E HN 0.425 nan 8.360 nan 0.000 0.450 175 F N 0.734 120.682 119.950 -0.003 0.000 2.216 175 F HA -0.201 4.337 4.527 0.019 0.000 0.300 175 F C 1.965 177.780 175.800 0.026 0.000 1.085 175 F CA 1.610 59.627 58.000 0.028 0.000 1.326 175 F CB -0.195 38.831 39.000 0.043 0.000 1.027 175 F HN -0.060 nan 8.300 nan 0.000 0.497 176 T N 0.861 115.496 114.554 0.134 0.000 2.896 176 T HA -0.062 4.299 4.350 0.020 0.000 0.263 176 T C 1.902 176.580 174.700 -0.037 0.000 1.050 176 T CA 1.159 63.282 62.100 0.038 0.000 1.140 176 T CB -0.169 68.799 68.868 0.167 0.000 0.877 176 T HN 0.269 nan 8.240 nan 0.000 0.457 177 R N 1.221 121.716 120.500 -0.008 0.000 2.097 177 R HA -0.078 4.273 4.340 0.020 0.000 0.236 177 R C 2.674 178.949 176.300 -0.042 0.000 1.135 177 R CA 1.489 57.583 56.100 -0.010 0.000 0.934 177 R CB -0.312 29.994 30.300 0.010 0.000 0.846 177 R HN 0.256 nan 8.270 nan 0.000 0.431 178 R N 0.079 120.538 120.500 -0.068 0.000 2.103 178 R HA -0.110 4.241 4.340 0.020 0.000 0.242 178 R C 2.455 178.662 176.300 -0.155 0.000 1.142 178 R CA 1.569 57.612 56.100 -0.095 0.000 0.960 178 R CB -0.787 29.455 30.300 -0.096 0.000 0.858 178 R HN 0.437 nan 8.270 nan 0.000 0.439 179 G N 0.303 108.942 108.800 -0.268 0.000 2.432 179 G HA2 -0.216 3.756 3.960 0.020 0.000 0.219 179 G HA3 -0.216 3.756 3.960 0.020 0.000 0.219 179 G C 1.268 176.101 174.900 -0.112 0.000 1.135 179 G CA 0.583 45.520 45.100 -0.272 0.000 0.767 179 G HN 0.203 nan 8.290 nan 0.000 0.550 180 L N 0.448 121.632 121.223 -0.064 0.000 2.418 180 L HA 0.054 4.406 4.340 0.020 0.000 0.218 180 L C 2.746 179.613 176.870 -0.005 0.000 1.125 180 L CA -0.237 54.597 54.840 -0.011 0.000 0.835 180 L CB -0.039 42.030 42.059 0.016 0.000 0.953 180 L HN 0.036 nan 8.230 nan 0.000 0.454 181 V N -0.130 119.772 119.914 -0.020 0.000 2.324 181 V HA -0.328 3.804 4.120 0.020 0.000 0.250 181 V C 2.508 178.597 176.094 -0.009 0.000 1.060 181 V CA 2.496 64.789 62.300 -0.011 0.000 1.042 181 V CB -0.898 30.915 31.823 -0.017 0.000 0.650 181 V HN 0.502 nan 8.190 nan 0.000 0.450 182 T N 0.549 115.095 114.554 -0.014 0.000 2.770 182 T HA -0.057 4.305 4.350 0.020 0.000 0.263 182 T C 0.053 174.755 174.700 0.004 0.000 1.039 182 T CA 1.724 63.820 62.100 -0.007 0.000 1.142 182 T CB -1.244 67.619 68.868 -0.009 0.000 0.868 182 T HN 0.520 nan 8.240 nan 0.000 0.435 183 P HA -0.063 nan 4.420 nan 0.000 0.221 183 P C 1.452 178.765 177.300 0.022 0.000 1.150 183 P CA 1.090 64.206 63.100 0.026 0.000 0.800 183 P CB -0.001 31.725 31.700 0.042 0.000 0.787 184 R N 0.172 120.682 120.500 0.018 0.000 2.062 184 R HA -0.022 4.329 4.340 0.020 0.000 0.231 184 R C 2.340 178.634 176.300 -0.010 0.000 1.136 184 R CA 1.777 57.884 56.100 0.011 0.000 0.948 184 R CB -0.729 29.579 30.300 0.013 0.000 0.845 184 R HN 0.071 nan 8.270 nan 0.000 0.430 185 M N 0.266 119.859 119.600 -0.012 0.000 2.254 185 M HA 0.008 4.500 4.480 0.020 0.000 0.265 185 M C 2.448 178.735 176.300 -0.022 0.000 1.066 185 M CA 1.389 56.676 55.300 -0.022 0.000 1.123 185 M CB -0.088 32.502 32.600 -0.018 0.000 1.388 185 M HN 0.364 nan 8.290 nan 0.000 0.425 186 A N 0.264 123.078 122.820 -0.010 0.000 1.908 186 A HA -0.220 4.112 4.320 0.020 0.000 0.218 186 A C 2.004 179.579 177.584 -0.015 0.000 1.181 186 A CA 2.242 54.275 52.037 -0.006 0.000 0.627 186 A CB -0.548 18.456 19.000 0.008 0.000 0.818 186 A HN 0.436 nan 8.150 nan 0.000 0.445 187 E N -0.651 119.538 120.200 -0.019 0.000 2.170 187 E HA -0.010 4.351 4.350 0.020 0.000 0.191 187 E C 1.783 178.335 176.600 -0.081 0.000 0.981 187 E CA 0.961 57.341 56.400 -0.033 0.000 0.830 187 E CB -0.158 29.532 29.700 -0.017 0.000 0.775 187 E HN 0.226 nan 8.360 nan 0.000 0.470 188 V N 0.848 120.709 119.914 -0.090 0.000 2.407 188 V HA -0.219 3.912 4.120 0.020 0.000 0.248 188 V C 2.311 178.336 176.094 -0.115 0.000 1.055 188 V CA 1.790 64.007 62.300 -0.137 0.000 1.049 188 V CB -0.806 30.952 31.823 -0.108 0.000 0.662 188 V HN 0.418 nan 8.190 nan 0.000 0.455 189 A N -1.064 121.712 122.820 -0.072 0.000 1.968 189 A HA -0.154 4.178 4.320 0.020 0.000 0.217 189 A C 2.436 179.990 177.584 -0.049 0.000 1.169 189 A CA 1.875 53.880 52.037 -0.054 0.000 0.638 189 A CB -0.443 18.536 19.000 -0.035 0.000 0.812 189 A HN 0.459 nan 8.150 nan 0.000 0.446 190 S N -0.506 115.165 115.700 -0.049 0.000 2.528 190 S HA 0.031 4.513 4.470 0.020 0.000 0.219 190 S C 0.985 175.563 174.600 -0.037 0.000 0.985 190 S CA -0.231 57.951 58.200 -0.031 0.000 0.914 190 S CB -0.256 62.935 63.200 -0.015 0.000 0.776 190 S HN 0.699 nan 8.310 nan 0.000 0.526 191 R N 1.269 121.723 120.500 -0.077 0.000 2.357 191 R HA 0.385 4.736 4.340 0.020 0.000 0.296 191 R C -0.811 175.464 176.300 -0.042 0.000 1.052 191 R CA -0.662 55.392 56.100 -0.077 0.000 0.988 191 R CB 0.303 30.481 30.300 -0.202 0.000 1.025 191 R HN -0.011 nan 8.270 nan 0.000 0.469 192 D N 3.437 123.845 120.400 0.013 0.000 2.401 192 D HA 0.071 4.723 4.640 0.020 0.000 0.254 192 D C -1.558 174.782 176.300 0.067 0.000 1.192 192 D CA -2.288 51.731 54.000 0.033 0.000 0.885 192 D CB 1.441 42.268 40.800 0.044 0.000 1.147 192 D HN 0.345 nan 8.370 nan 0.000 0.478 193 P HA -0.112 nan 4.420 nan 0.000 0.216 193 P C 1.101 178.461 177.300 0.101 0.000 1.153 193 P CA 1.306 64.455 63.100 0.081 0.000 0.848 193 P CB 0.368 32.090 31.700 0.036 0.000 0.787 194 K N -0.361 120.069 120.400 0.050 0.000 1.963 194 K HA -0.079 4.253 4.320 0.020 0.000 0.216 194 K C 2.085 178.702 176.600 0.028 0.000 1.045 194 K CA 1.274 57.569 56.287 0.013 0.000 0.954 194 K CB -1.041 31.455 32.500 -0.007 0.000 0.732 194 K HN 0.060 nan 8.250 nan 0.000 0.442 195 L N 0.257 121.513 121.223 0.055 0.000 2.137 195 L HA -0.267 4.084 4.340 0.020 0.000 0.213 195 L C 2.529 179.475 176.870 0.127 0.000 1.085 195 L CA 1.293 56.177 54.840 0.074 0.000 0.760 195 L CB -0.482 41.629 42.059 0.087 0.000 0.893 195 L HN 0.309 nan 8.230 nan 0.000 0.434 196 Y N 0.450 120.769 120.300 0.033 0.000 2.184 196 Y HA -0.171 4.391 4.550 0.019 0.000 0.290 196 Y C 2.475 178.422 175.900 0.079 0.000 1.129 196 Y CA 1.160 59.294 58.100 0.056 0.000 1.144 196 Y CB -0.280 38.200 38.460 0.033 0.000 0.995 196 Y HN 0.074 nan 8.280 nan 0.000 0.513 197 A N -0.265 122.546 122.820 -0.015 0.000 2.067 197 A HA -0.101 4.231 4.320 0.020 0.000 0.219 197 A C 1.980 179.531 177.584 -0.055 0.000 1.158 197 A CA 1.772 53.750 52.037 -0.099 0.000 0.661 197 A CB -0.588 18.386 19.000 -0.044 0.000 0.801 197 A HN 0.567 nan 8.150 nan 0.000 0.452 198 M N -0.156 119.381 119.600 -0.106 0.000 2.313 198 M HA 0.100 4.592 4.480 0.020 0.000 0.273 198 M C -0.031 176.058 176.300 -0.351 0.000 1.049 198 M CA -0.026 55.093 55.300 -0.301 0.000 1.004 198 M CB 0.122 32.386 32.600 -0.559 0.000 1.461 198 M HN 0.697 nan 8.290 nan 0.000 0.514 199 H N -0.168 118.890 119.070 -0.021 0.000 2.207 199 H HA -0.092 4.476 4.556 0.019 0.000 0.325 199 H C -2.495 172.909 175.328 0.127 0.000 0.959 199 H CA -0.228 55.834 56.048 0.022 0.000 1.085 199 H CB -2.157 27.572 29.762 -0.055 0.000 1.582 199 H HN 0.216 nan 8.280 nan 0.000 0.361 200 P HA -0.104 nan 4.420 nan 0.000 0.266 200 P C 0.180 177.620 177.300 0.234 0.000 1.186 200 P CA 0.197 63.403 63.100 0.177 0.000 0.767 200 P CB 0.546 32.352 31.700 0.176 0.000 0.820 201 W N 4.873 126.202 121.300 0.049 0.000 2.282 201 W HA 0.443 5.115 4.660 0.019 0.000 0.322 201 W C -1.583 174.877 176.519 -0.099 0.000 1.011 201 W CA -0.753 56.612 57.345 0.034 0.000 1.392 201 W CB 0.260 29.793 29.460 0.121 0.000 1.215 201 W HN 0.085 nan 8.180 nan 0.000 0.394 202 V N 4.120 124.049 119.914 0.024 0.000 3.126 202 V HA 0.812 4.944 4.120 0.020 0.000 0.314 202 V C -0.389 175.623 176.094 -0.137 0.000 1.138 202 V CA -1.027 61.114 62.300 -0.266 0.000 1.034 202 V CB 1.887 33.517 31.823 -0.321 0.000 1.075 202 V HN 0.326 nan 8.190 nan 0.000 0.442 203 T N -0.464 113.994 114.554 -0.160 0.000 3.159 203 T HA 0.336 4.698 4.350 0.020 0.000 0.343 203 T C 0.137 174.799 174.700 -0.063 0.000 1.364 203 T CA -0.002 62.050 62.100 -0.082 0.000 1.102 203 T CB 1.803 70.608 68.868 -0.105 0.000 1.263 203 T HN 0.607 nan 8.240 nan 0.000 0.477 204 S N 2.400 118.086 115.700 -0.022 0.000 2.511 204 S HA 0.197 4.679 4.470 0.020 0.000 0.214 204 S C 0.670 175.268 174.600 -0.003 0.000 0.997 204 S CA -0.203 57.991 58.200 -0.011 0.000 0.908 204 S CB 0.111 63.314 63.200 0.005 0.000 0.803 204 S HN 0.594 nan 8.310 nan 0.000 0.504 205 K N 3.022 123.420 120.400 -0.004 0.000 2.469 205 K HA 0.097 4.429 4.320 0.020 0.000 0.274 205 K C -2.612 173.983 176.600 -0.008 0.000 0.983 205 K CA -0.932 55.354 56.287 -0.002 0.000 0.974 205 K CB -0.448 32.050 32.500 -0.003 0.000 0.913 205 K HN 0.125 nan 8.250 nan 0.000 0.493 206 P HA -0.047 nan 4.420 nan 0.000 0.269 206 P C -0.076 177.213 177.300 -0.018 0.000 1.209 206 P CA -0.445 62.672 63.100 0.028 0.000 0.776 206 P CB 0.471 32.203 31.700 0.054 0.000 0.876 207 L N 4.895 126.102 121.223 -0.027 0.000 2.513 207 L HA 0.144 4.495 4.340 0.020 0.000 0.272 207 L C -1.862 174.918 176.870 -0.151 0.000 1.187 207 L CA -1.263 53.459 54.840 -0.197 0.000 0.895 207 L CB -0.304 41.478 42.059 -0.462 0.000 1.147 207 L HN 0.323 nan 8.230 nan 0.000 0.483 208 P HA 0.097 nan 4.420 nan 0.000 0.272 208 P C 0.402 177.511 177.300 -0.318 0.000 1.240 208 P CA -0.311 62.558 63.100 -0.385 0.000 0.791 208 P CB 0.825 32.030 31.700 -0.826 0.000 0.978 209 E N 0.263 120.359 120.200 -0.174 0.000 2.051 209 E HA -0.197 4.165 4.350 0.020 0.000 0.192 209 E C 1.646 178.250 176.600 0.006 0.000 0.991 209 E CA 1.437 57.858 56.400 0.035 0.000 0.799 209 E CB -0.615 29.134 29.700 0.081 0.000 0.748 209 E HN 0.615 nan 8.360 nan 0.000 0.449 210 Y N -0.361 119.978 120.300 0.065 0.000 2.751 210 Y HA 0.003 4.564 4.550 0.019 0.000 0.310 210 Y C 1.406 177.299 175.900 -0.012 0.000 1.176 210 Y CA 0.389 58.505 58.100 0.026 0.000 1.360 210 Y CB -0.454 38.008 38.460 0.003 0.000 0.999 210 Y HN -0.024 nan 8.280 nan 0.000 0.532 211 L N -3.047 118.097 121.223 -0.131 0.000 2.803 211 L HA 0.149 4.501 4.340 0.020 0.000 0.246 211 L C 1.486 178.250 176.870 -0.177 0.000 1.100 211 L CA -0.077 54.672 54.840 -0.153 0.000 0.919 211 L CB -0.195 41.682 42.059 -0.303 0.000 1.285 211 L HN 0.255 nan 8.230 nan 0.000 0.522 212 W N 2.440 123.681 121.300 -0.097 0.000 2.381 212 W HA -0.168 4.504 4.660 0.019 0.000 0.301 212 W C 2.600 179.095 176.519 -0.040 0.000 1.205 212 W CA 1.329 58.633 57.345 -0.068 0.000 1.285 212 W CB 0.166 29.586 29.460 -0.067 0.000 1.133 212 W HN 0.080 nan 8.180 nan 0.000 0.521 213 K N 0.616 121.140 120.400 0.208 0.000 2.283 213 K HA -0.104 4.227 4.320 0.020 0.000 0.202 213 K C 1.307 177.958 176.600 0.085 0.000 1.048 213 K CA 1.253 57.620 56.287 0.132 0.000 0.948 213 K CB -0.462 32.104 32.500 0.111 0.000 0.742 213 K HN 0.139 nan 8.250 nan 0.000 0.458 214 K N 0.740 121.173 120.400 0.055 0.000 2.444 214 K HA 0.198 4.530 4.320 0.020 0.000 0.193 214 K C 0.215 176.817 176.600 0.003 0.000 1.024 214 K CA 0.099 56.397 56.287 0.017 0.000 1.077 214 K CB 0.211 32.704 32.500 -0.012 0.000 0.833 214 K HN 0.199 nan 8.250 nan 0.000 0.517 215 I N 1.295 121.880 120.570 0.024 0.000 2.297 215 I HA 0.056 4.238 4.170 0.020 0.000 0.291 215 I C 1.339 177.488 176.117 0.053 0.000 1.033 215 I CA -0.486 60.823 61.300 0.015 0.000 1.253 215 I CB 1.411 39.422 38.000 0.018 0.000 1.396 215 I HN 0.055 nan 8.210 nan 0.000 0.476 216 A N 6.789 129.627 122.820 0.030 0.000 1.912 216 A HA -0.229 4.103 4.320 0.020 0.000 0.217 216 A C 0.808 178.421 177.584 0.048 0.000 1.309 216 A CA 2.171 54.237 52.037 0.049 0.000 0.726 216 A CB -0.344 18.695 19.000 0.066 0.000 0.840 216 A HN 0.866 nan 8.150 nan 0.000 0.473 217 N N -1.417 117.299 118.700 0.028 0.000 2.621 217 N HA 0.125 4.877 4.740 0.020 0.000 0.271 217 N C -0.605 174.919 175.510 0.022 0.000 1.181 217 N CA -0.031 53.040 53.050 0.034 0.000 0.805 217 N CB 0.623 39.126 38.487 0.027 0.000 1.351 217 N HN 0.451 nan 8.380 nan 0.000 0.539 218 N N 0.535 119.279 118.700 0.073 0.000 2.721 218 N HA -0.208 4.544 4.740 0.020 0.000 0.249 218 N C -1.426 174.077 175.510 -0.011 0.000 1.072 218 N CA 0.710 53.810 53.050 0.083 0.000 0.710 218 N CB -1.363 37.151 38.487 0.046 0.000 0.993 218 N HN 0.750 nan 8.380 nan 0.000 0.547 219 C N 1.335 120.583 119.300 -0.087 0.000 2.679 219 C HA 0.633 5.105 4.460 0.020 0.000 0.354 219 C C -0.179 174.557 174.990 -0.423 0.000 1.067 219 C CA -0.882 57.969 59.018 -0.279 0.000 1.317 219 C CB -0.011 27.542 27.740 -0.311 0.000 1.843 219 C HN 0.277 nan 8.230 nan 0.000 0.459 220 I N 5.252 125.576 120.570 -0.410 0.000 2.441 220 I HA 0.481 4.662 4.170 0.020 0.000 0.295 220 I C -0.593 175.266 176.117 -0.430 0.000 0.994 220 I CA -0.389 60.693 61.300 -0.363 0.000 1.144 220 I CB 1.551 39.432 38.000 -0.198 0.000 1.314 220 I HN 0.495 nan 8.210 nan 0.000 0.445 221 F N 6.282 126.208 119.950 -0.041 0.000 2.415 221 F HA 0.543 5.081 4.527 0.020 0.000 0.348 221 F C 0.146 175.908 175.800 -0.064 0.000 1.119 221 F CA -0.575 57.402 58.000 -0.037 0.000 1.069 221 F CB 1.199 40.181 39.000 -0.029 0.000 1.124 221 F HN 0.137 nan 8.300 nan 0.000 0.472 222 I N 3.596 124.246 120.570 0.134 0.000 2.530 222 I HA 0.410 4.592 4.170 0.020 0.000 0.297 222 I C -0.960 175.185 176.117 0.046 0.000 1.011 222 I CA -1.151 60.167 61.300 0.031 0.000 1.107 222 I CB 2.103 40.095 38.000 -0.012 0.000 1.285 222 I HN 0.152 nan 8.210 nan 0.000 0.436 223 V N 6.656 126.582 119.914 0.021 0.000 2.311 223 V HA 0.359 4.490 4.120 0.020 0.000 0.275 223 V C 0.196 176.430 176.094 0.232 0.000 1.022 223 V CA -0.425 61.974 62.300 0.166 0.000 0.830 223 V CB 0.870 32.905 31.823 0.353 0.000 1.012 223 V HN 0.451 nan 8.190 nan 0.000 0.452 224 I N 5.140 125.770 120.570 0.100 0.000 2.337 224 I HA 0.283 4.465 4.170 0.020 0.000 0.291 224 I C -0.039 176.181 176.117 0.173 0.000 1.046 224 I CA -0.325 60.974 61.300 -0.003 0.000 1.324 224 I CB 0.271 38.024 38.000 -0.411 0.000 1.409 224 I HN 0.564 nan 8.210 nan 0.000 0.494 225 H N 5.281 124.332 119.070 -0.032 0.000 2.527 225 H HA 0.340 4.908 4.556 0.020 0.000 0.321 225 H C 0.491 175.799 175.328 -0.032 0.000 1.087 225 H CA -0.508 55.528 56.048 -0.020 0.000 1.337 225 H CB 1.325 31.069 29.762 -0.029 0.000 1.440 225 H HN 0.456 nan 8.280 nan 0.000 0.490 226 R N 1.434 121.975 120.500 0.068 0.000 1.906 226 R HA 0.130 4.482 4.340 0.020 0.000 0.186 226 R C 1.808 178.116 176.300 0.015 0.000 1.615 226 R CA 1.295 57.410 56.100 0.025 0.000 1.265 226 R CB -0.466 29.842 30.300 0.013 0.000 0.976 226 R HN 0.519 nan 8.270 nan 0.000 0.487 227 S N -1.882 113.815 115.700 -0.006 0.000 2.650 227 S HA 0.054 4.535 4.470 0.020 0.000 0.182 227 S C 1.260 175.849 174.600 -0.019 0.000 0.832 227 S CA 0.922 59.117 58.200 -0.009 0.000 0.860 227 S CB -0.377 62.812 63.200 -0.018 0.000 0.818 227 S HN 0.625 nan 8.310 nan 0.000 0.600 228 T N -0.218 114.310 114.554 -0.043 0.000 3.004 228 T HA 0.209 4.570 4.350 0.020 0.000 0.266 228 T C 0.386 175.023 174.700 -0.105 0.000 0.986 228 T CA 0.520 62.574 62.100 -0.076 0.000 0.902 228 T CB -0.447 68.389 68.868 -0.052 0.000 1.118 228 T HN 0.476 nan 8.240 nan 0.000 0.522 229 T N 2.162 116.672 114.554 -0.075 0.000 3.162 229 T HA 0.445 4.807 4.350 0.020 0.000 0.264 229 T C 0.515 175.163 174.700 -0.086 0.000 0.959 229 T CA -0.434 61.627 62.100 -0.065 0.000 1.118 229 T CB -0.105 68.743 68.868 -0.032 0.000 0.979 229 T HN 0.207 nan 8.240 nan 0.000 0.679 230 S N 2.331 117.933 115.700 -0.162 0.000 2.587 230 S HA 0.428 4.909 4.470 0.020 0.000 0.252 230 S C 0.161 174.746 174.600 -0.026 0.000 1.282 230 S CA -0.689 57.379 58.200 -0.220 0.000 0.977 230 S CB 0.136 63.152 63.200 -0.307 0.000 1.015 230 S HN 0.903 nan 8.310 nan 0.000 0.557 231 Q N -0.460 119.356 119.800 0.026 0.000 2.978 231 Q HA 0.218 4.569 4.340 0.020 0.000 0.207 231 Q C -1.853 174.212 176.000 0.107 0.000 1.007 231 Q CA 0.080 55.944 55.803 0.102 0.000 1.100 231 Q CB 0.181 29.057 28.738 0.230 0.000 1.971 231 Q HN 0.608 nan 8.270 nan 0.000 0.536 232 T N 4.369 118.982 114.554 0.100 0.000 2.859 232 T HA 0.838 5.199 4.350 0.020 0.000 0.281 232 T C -0.168 174.620 174.700 0.146 0.000 1.005 232 T CA -0.412 61.747 62.100 0.098 0.000 1.025 232 T CB 0.527 69.412 68.868 0.029 0.000 0.977 232 T HN 0.470 nan 8.240 nan 0.000 0.458 233 I N 2.016 122.696 120.570 0.184 0.000 2.647 233 I HA 0.365 4.547 4.170 0.020 0.000 0.295 233 I C -0.319 175.963 176.117 0.276 0.000 1.078 233 I CA -1.141 60.282 61.300 0.206 0.000 1.048 233 I CB 2.543 40.634 38.000 0.150 0.000 1.239 233 I HN 0.377 nan 8.210 nan 0.000 0.421 234 K N 4.569 125.113 120.400 0.240 0.000 2.273 234 K HA 0.485 4.817 4.320 0.020 0.000 0.287 234 K C -0.942 175.652 176.600 -0.010 0.000 1.089 234 K CA -0.286 56.057 56.287 0.094 0.000 0.909 234 K CB 1.158 33.738 32.500 0.134 0.000 1.123 234 K HN 0.237 nan 8.250 nan 0.000 0.473 235 V N 1.724 121.584 119.914 -0.090 0.000 2.581 235 V HA 0.235 4.367 4.120 0.020 0.000 0.303 235 V C 0.015 176.054 176.094 -0.092 0.000 1.041 235 V CA -0.791 61.473 62.300 -0.060 0.000 0.907 235 V CB 1.946 33.742 31.823 -0.044 0.000 0.994 235 V HN 0.728 nan 8.190 nan 0.000 0.442 236 S N 4.029 119.704 115.700 -0.041 0.000 2.562 236 S HA 0.379 4.861 4.470 0.020 0.000 0.275 236 S C -1.623 172.974 174.600 -0.005 0.000 1.281 236 S CA -1.351 56.837 58.200 -0.019 0.000 1.045 236 S CB 1.465 64.673 63.200 0.014 0.000 0.962 236 S HN 0.582 nan 8.310 nan 0.000 0.503 237 P HA -0.082 nan 4.420 nan 0.000 0.218 237 P C 0.014 177.340 177.300 0.043 0.000 1.146 237 P CA 1.185 64.282 63.100 -0.004 0.000 0.813 237 P CB 0.039 31.756 31.700 0.029 0.000 0.778 238 D N -1.120 119.327 120.400 0.079 0.000 2.395 238 D HA 0.062 4.714 4.640 0.020 0.000 0.226 238 D C -0.303 176.032 176.300 0.057 0.000 1.146 238 D CA 0.203 54.251 54.000 0.080 0.000 0.830 238 D CB -0.075 40.779 40.800 0.090 0.000 0.958 238 D HN 0.194 nan 8.370 nan 0.000 0.501 239 D N 1.478 121.903 120.400 0.041 0.000 2.277 239 D HA 0.042 4.694 4.640 0.020 0.000 0.249 239 D C 0.859 177.185 176.300 0.042 0.000 1.134 239 D CA -0.011 54.009 54.000 0.033 0.000 0.863 239 D CB 1.327 42.135 40.800 0.013 0.000 1.143 239 D HN -0.072 nan 8.370 nan 0.000 0.458 240 T N 0.895 115.477 114.554 0.047 0.000 2.903 240 T HA 0.112 4.474 4.350 0.020 0.000 0.314 240 T C -1.704 173.012 174.700 0.027 0.000 1.078 240 T CA -1.098 61.037 62.100 0.058 0.000 1.114 240 T CB 1.055 69.954 68.868 0.051 0.000 0.987 240 T HN 0.033 nan 8.240 nan 0.000 0.548 241 P HA 0.113 nan 4.420 nan 0.000 0.216 241 P C 1.722 179.012 177.300 -0.017 0.000 1.153 241 P CA 1.147 64.221 63.100 -0.043 0.000 0.844 241 P CB -0.355 31.301 31.700 -0.073 0.000 0.787 242 G N 0.425 109.226 108.800 0.001 0.000 2.422 242 G HA2 -0.250 3.722 3.960 0.020 0.000 0.218 242 G HA3 -0.250 3.722 3.960 0.020 0.000 0.218 242 G C 1.640 176.532 174.900 -0.014 0.000 1.146 242 G CA 0.875 45.965 45.100 -0.018 0.000 0.769 242 G HN 0.316 nan 8.290 nan 0.000 0.547 243 A N 0.538 123.362 122.820 0.008 0.000 2.125 243 A HA 0.135 4.466 4.320 0.020 0.000 0.219 243 A C 1.975 179.586 177.584 0.045 0.000 1.156 243 A CA 0.635 52.686 52.037 0.023 0.000 0.671 243 A CB -0.292 18.725 19.000 0.028 0.000 0.794 243 A HN 0.408 nan 8.150 nan 0.000 0.459 244 I N -0.476 120.116 120.570 0.036 0.000 3.684 244 I HA 0.050 4.232 4.170 0.020 0.000 0.308 244 I C 0.899 177.090 176.117 0.122 0.000 1.263 244 I CA 0.346 61.682 61.300 0.060 0.000 1.174 244 I CB -0.144 37.857 38.000 0.003 0.000 1.021 244 I HN 0.305 nan 8.210 nan 0.000 0.451 245 L N -0.902 120.389 121.223 0.113 0.000 2.953 245 L HA 0.094 4.446 4.340 0.020 0.000 0.258 245 L C 1.677 178.625 176.870 0.129 0.000 1.100 245 L CA 0.058 54.992 54.840 0.156 0.000 0.971 245 L CB -0.008 41.970 42.059 -0.134 0.000 1.474 245 L HN 0.073 nan 8.230 nan 0.000 0.540 246 Q N -0.232 119.603 119.800 0.058 0.000 2.482 246 Q HA 0.045 4.397 4.340 0.020 0.000 0.209 246 Q C 1.649 177.729 176.000 0.133 0.000 0.961 246 Q CA 0.592 56.443 55.803 0.078 0.000 0.945 246 Q CB 0.184 28.942 28.738 0.035 0.000 1.012 246 Q HN 0.183 nan 8.270 nan 0.000 0.515 247 S N -1.387 114.422 115.700 0.183 0.000 2.701 247 S HA 0.252 4.734 4.470 0.020 0.000 0.242 247 S C 0.270 175.050 174.600 0.300 0.000 1.025 247 S CA -0.488 57.825 58.200 0.188 0.000 1.016 247 S CB 0.113 63.399 63.200 0.144 0.000 0.977 247 S HN 0.308 nan 8.310 nan 0.000 0.546 248 F N -0.227 119.840 119.950 0.194 0.000 2.754 248 F HA 0.485 5.023 4.527 0.020 0.000 0.316 248 F C 0.374 176.309 175.800 0.226 0.000 0.959 248 F CA -0.280 57.839 58.000 0.197 0.000 1.148 248 F CB 0.309 39.439 39.000 0.216 0.000 0.951 248 F HN 0.206 nan 8.300 nan 0.000 0.625 249 F N 0.597 120.606 119.950 0.098 0.000 2.754 249 F HA 0.061 4.600 4.527 0.020 0.000 0.303 249 F C 0.824 176.608 175.800 -0.026 0.000 1.196 249 F CA 0.606 58.615 58.000 0.016 0.000 1.416 249 F CB -0.155 38.903 39.000 0.096 0.000 1.092 249 F HN -0.154 nan 8.300 nan 0.000 0.541 250 T N 0.517 115.128 114.554 0.094 0.000 3.331 250 T HA 0.176 4.537 4.350 0.020 0.000 0.282 250 T C -0.190 174.473 174.700 -0.061 0.000 1.010 250 T CA -0.370 61.748 62.100 0.029 0.000 0.928 250 T CB -0.222 68.685 68.868 0.065 0.000 1.154 250 T HN 0.298 nan 8.240 nan 0.000 0.516 270 F N 0.927 120.921 119.950 0.073 0.000 2.561 270 F HA 0.646 5.185 4.527 0.019 0.000 0.321 270 F C 0.041 175.880 175.800 0.066 0.000 1.065 270 F CA -1.141 56.930 58.000 0.119 0.000 0.934 270 F CB 2.116 41.281 39.000 0.274 0.000 1.215 270 F HN -0.287 nan 8.300 nan 0.000 0.471 271 V N 3.582 123.668 119.914 0.287 0.000 2.769 271 V HA 0.574 4.706 4.120 0.020 0.000 0.312 271 V C -1.109 175.093 176.094 0.179 0.000 1.061 271 V CA -0.876 61.526 62.300 0.170 0.000 0.931 271 V CB 2.095 33.976 31.823 0.096 0.000 1.010 271 V HN 0.601 nan 8.190 nan 0.000 0.433 272 L N 6.465 127.759 121.223 0.118 0.000 2.261 272 L HA 0.567 4.918 4.340 0.020 0.000 0.289 272 L C 0.401 177.309 176.870 0.065 0.000 1.059 272 L CA -0.158 54.717 54.840 0.057 0.000 0.816 272 L CB 0.896 42.942 42.059 -0.022 0.000 1.191 272 L HN 0.715 nan 8.230 nan 0.000 0.431 273 R N 2.354 122.859 120.500 0.008 0.000 2.608 273 R HA 0.665 5.017 4.340 0.020 0.000 0.255 273 R C -0.973 175.181 176.300 -0.243 0.000 1.086 273 R CA -0.635 55.349 56.100 -0.194 0.000 1.125 273 R CB 1.707 31.832 30.300 -0.291 0.000 1.193 273 R HN 0.347 nan 8.270 nan 0.000 0.553 274 V N 1.482 121.170 119.914 -0.377 0.000 2.481 274 V HA 0.205 4.337 4.120 0.020 0.000 0.286 274 V C -0.101 175.786 176.094 -0.346 0.000 1.042 274 V CA -0.814 61.258 62.300 -0.379 0.000 0.928 274 V CB 1.454 32.874 31.823 -0.670 0.000 0.986 274 V HN 0.843 nan 8.190 nan 0.000 0.462 275 C N 4.583 123.735 119.300 -0.247 0.000 2.638 275 C HA 0.439 4.911 4.460 0.020 0.000 0.410 275 C C 1.604 176.466 174.990 -0.215 0.000 1.404 275 C CA 0.975 59.862 59.018 -0.219 0.000 1.651 275 C CB -1.024 26.577 27.740 -0.230 0.000 2.495 275 C HN 1.347 nan 8.230 nan 0.000 0.606 276 G N 3.900 112.582 108.800 -0.197 0.000 2.179 276 G HA2 -0.200 3.771 3.960 0.020 0.000 0.260 276 G HA3 -0.200 3.771 3.960 0.020 0.000 0.260 276 G C 0.019 174.778 174.900 -0.235 0.000 0.977 276 G CA 0.218 45.214 45.100 -0.174 0.000 0.641 276 G HN 0.761 nan 8.290 nan 0.000 0.533 277 R N -0.739 119.566 120.500 -0.325 0.000 2.836 277 R HA 0.478 4.829 4.340 0.020 0.000 0.269 277 R C -1.558 174.515 176.300 -0.379 0.000 1.010 277 R CA -0.922 54.953 56.100 -0.375 0.000 0.930 277 R CB 1.066 31.032 30.300 -0.558 0.000 1.218 277 R HN 0.065 nan 8.270 nan 0.000 0.473 278 D N 1.115 121.325 120.400 -0.317 0.000 2.896 278 D HA 0.136 4.788 4.640 0.020 0.000 0.240 278 D C -1.025 175.104 176.300 -0.284 0.000 1.193 278 D CA 0.295 54.120 54.000 -0.291 0.000 0.983 278 D CB 0.387 41.114 40.800 -0.120 0.000 1.074 278 D HN 0.135 nan 8.370 nan 0.000 0.496 279 E N 0.627 120.525 120.200 -0.503 0.000 2.272 279 E HA 0.373 4.735 4.350 0.020 0.000 0.269 279 E C -1.605 174.700 176.600 -0.491 0.000 0.877 279 E CA -0.773 55.414 56.400 -0.354 0.000 0.755 279 E CB 0.919 30.464 29.700 -0.258 0.000 1.192 279 E HN 0.124 nan 8.360 nan 0.000 0.422 280 Y N 2.940 123.169 120.300 -0.118 0.000 2.361 280 Y HA 0.322 4.884 4.550 0.019 0.000 0.337 280 Y C -0.475 175.444 175.900 0.032 0.000 0.965 280 Y CA -1.179 56.872 58.100 -0.082 0.000 1.091 280 Y CB 1.288 39.675 38.460 -0.120 0.000 1.182 280 Y HN 0.302 nan 8.280 nan 0.000 0.450 281 L N 5.727 126.974 121.223 0.040 0.000 2.399 281 L HA 0.313 4.665 4.340 0.020 0.000 0.257 281 L C -0.141 176.701 176.870 -0.047 0.000 1.236 281 L CA -0.321 54.345 54.840 -0.289 0.000 1.144 281 L CB -1.430 40.207 42.059 -0.703 0.000 1.379 281 L HN 0.366 nan 8.230 nan 0.000 0.414 282 V N -0.222 119.863 119.914 0.285 0.000 3.166 282 V HA 0.962 5.094 4.120 0.020 0.000 0.317 282 V C 0.592 176.862 176.094 0.294 0.000 1.136 282 V CA -0.528 61.893 62.300 0.201 0.000 1.035 282 V CB 1.604 33.488 31.823 0.102 0.000 1.110 282 V HN 0.804 nan 8.190 nan 0.000 0.450 283 G N 1.206 110.104 108.800 0.164 0.000 2.755 283 G HA2 -0.119 3.853 3.960 0.020 0.000 0.686 283 G HA3 -0.119 3.853 3.960 0.020 0.000 0.686 283 G C -0.496 174.498 174.900 0.157 0.000 1.427 283 G CA -0.669 44.513 45.100 0.137 0.000 0.873 283 G HN 0.710 nan 8.290 nan 0.000 0.580 284 E N 1.347 121.605 120.200 0.098 0.000 1.774 284 E HA 0.345 4.707 4.350 0.020 0.000 0.265 284 E C 0.299 176.955 176.600 0.094 0.000 1.207 284 E CA 0.676 57.129 56.400 0.089 0.000 1.054 284 E CB -0.094 29.639 29.700 0.055 0.000 1.074 284 E HN 0.563 nan 8.360 nan 0.000 0.433 285 T N 3.066 117.716 114.554 0.161 0.000 2.993 285 T HA 0.303 4.665 4.350 0.020 0.000 0.312 285 T C -2.688 172.165 174.700 0.256 0.000 1.115 285 T CA -1.447 60.741 62.100 0.147 0.000 1.027 285 T CB 2.357 71.222 68.868 -0.006 0.000 1.116 285 T HN 0.107 nan 8.240 nan 0.000 0.464 286 P HA 0.156 nan 4.420 nan 0.000 0.267 286 P C 1.032 178.473 177.300 0.236 0.000 1.205 286 P CA -0.460 62.731 63.100 0.152 0.000 0.765 286 P CB 0.349 32.105 31.700 0.093 0.000 0.828 287 I N 3.201 123.872 120.570 0.169 0.000 2.399 287 I HA -0.279 3.902 4.170 0.020 0.000 0.254 287 I C 2.084 178.275 176.117 0.124 0.000 1.146 287 I CA 1.608 62.992 61.300 0.141 0.000 1.412 287 I CB -1.605 36.361 38.000 -0.056 0.000 1.076 287 I HN 0.331 nan 8.210 nan 0.000 0.432 288 K N 0.837 121.251 120.400 0.024 0.000 2.281 288 K HA -0.165 4.166 4.320 0.020 0.000 0.203 288 K C 1.026 177.595 176.600 -0.052 0.000 1.046 288 K CA 1.882 58.114 56.287 -0.092 0.000 0.938 288 K CB -0.498 31.904 32.500 -0.163 0.000 0.737 288 K HN 0.340 nan 8.250 nan 0.000 0.458 289 N N -0.234 118.495 118.700 0.050 0.000 2.230 289 N HA 0.143 4.895 4.740 0.020 0.000 0.202 289 N C -1.116 174.340 175.510 -0.090 0.000 1.119 289 N CA -0.017 53.014 53.050 -0.031 0.000 0.851 289 N CB 0.215 38.668 38.487 -0.057 0.000 0.990 289 N HN 0.061 nan 8.380 nan 0.000 0.497 290 F N 1.159 121.058 119.950 -0.086 0.000 2.404 290 F HA 0.253 4.792 4.527 0.020 0.000 0.345 290 F C 1.779 177.470 175.800 -0.181 0.000 1.110 290 F CA -0.614 57.339 58.000 -0.079 0.000 1.130 290 F CB 1.263 40.270 39.000 0.012 0.000 1.129 290 F HN -0.148 nan 8.300 nan 0.000 0.500 291 Q N 3.153 122.795 119.800 -0.263 0.000 2.096 291 Q HA -0.263 4.089 4.340 0.020 0.000 0.204 291 Q C 2.234 178.065 176.000 -0.282 0.000 0.982 291 Q CA 1.484 56.935 55.803 -0.586 0.000 0.850 291 Q CB -0.484 27.192 28.738 -1.771 0.000 0.901 291 Q HN 0.890 nan 8.270 nan 0.000 0.422 292 W N 1.007 122.207 121.300 -0.167 0.000 2.363 292 W HA -0.169 4.502 4.660 0.019 0.000 0.296 292 W C 1.656 178.196 176.519 0.035 0.000 1.212 292 W CA 1.199 58.553 57.345 0.015 0.000 1.260 292 W CB 0.136 29.656 29.460 0.100 0.000 1.131 292 W HN -0.054 nan 8.180 nan 0.000 0.530 293 V N 1.742 121.652 119.914 -0.006 0.000 2.295 293 V HA -0.304 3.828 4.120 0.020 0.000 0.246 293 V C 2.539 178.503 176.094 -0.218 0.000 1.049 293 V CA 2.213 64.439 62.300 -0.125 0.000 1.024 293 V CB -0.847 30.956 31.823 -0.033 0.000 0.648 293 V HN 0.133 nan 8.190 nan 0.000 0.447 294 R N -0.610 119.778 120.500 -0.186 0.000 2.148 294 R HA -0.180 4.172 4.340 0.020 0.000 0.227 294 R C 2.270 178.448 176.300 -0.205 0.000 1.103 294 R CA 1.658 57.640 56.100 -0.198 0.000 0.983 294 R CB -0.525 29.665 30.300 -0.184 0.000 0.874 294 R HN 0.689 nan 8.270 nan 0.000 0.451 295 H N -0.015 118.844 119.070 -0.352 0.000 2.428 295 H HA -0.023 4.544 4.556 0.019 0.000 0.296 295 H C 1.877 176.939 175.328 -0.444 0.000 1.062 295 H CA 1.372 57.189 56.048 -0.384 0.000 1.350 295 H CB -0.098 29.377 29.762 -0.479 0.000 1.403 295 H HN 0.100 nan 8.280 nan 0.000 0.533 296 C N 0.127 119.070 119.300 -0.595 0.000 2.453 296 C HA -0.075 4.397 4.460 0.020 0.000 0.277 296 C C 2.838 177.621 174.990 -0.346 0.000 1.262 296 C CA 0.962 59.672 59.018 -0.514 0.000 1.718 296 C CB -1.058 26.433 27.740 -0.414 0.000 2.031 296 C HN 0.578 nan 8.230 nan 0.000 0.480 297 L N 0.688 121.747 121.223 -0.273 0.000 2.012 297 L HA -0.194 4.157 4.340 0.020 0.000 0.210 297 L C 2.707 179.474 176.870 -0.172 0.000 1.073 297 L CA 1.626 56.348 54.840 -0.196 0.000 0.748 297 L CB -0.879 41.064 42.059 -0.192 0.000 0.891 297 L HN 0.372 nan 8.230 nan 0.000 0.431 298 K N 0.293 120.582 120.400 -0.186 0.000 2.063 298 K HA -0.170 4.162 4.320 0.020 0.000 0.208 298 K C 1.315 177.806 176.600 -0.182 0.000 1.048 298 K CA 1.479 57.687 56.287 -0.132 0.000 0.928 298 K CB -0.004 32.426 32.500 -0.116 0.000 0.713 298 K HN 0.373 nan 8.250 nan 0.000 0.442 299 N N -0.060 118.468 118.700 -0.286 0.000 2.235 299 N HA 0.030 4.782 4.740 0.020 0.000 0.209 299 N C -0.279 175.121 175.510 -0.183 0.000 1.122 299 N CA 0.640 53.540 53.050 -0.250 0.000 0.845 299 N CB 0.989 39.257 38.487 -0.365 0.000 1.004 299 N HN 0.314 nan 8.380 nan 0.000 0.499 300 G N 1.953 110.655 108.800 -0.164 0.000 2.342 300 G HA2 -0.248 3.724 3.960 0.020 0.000 0.267 300 G HA3 -0.248 3.724 3.960 0.020 0.000 0.267 300 G C -0.568 174.273 174.900 -0.099 0.000 0.922 300 G CA 0.310 45.344 45.100 -0.109 0.000 1.342 300 G HN 0.407 nan 8.290 nan 0.000 0.430 301 E N 0.599 120.726 120.200 -0.122 0.000 2.366 301 E HA 0.243 4.605 4.350 0.020 0.000 0.278 301 E C 0.133 176.677 176.600 -0.094 0.000 0.923 301 E CA -1.018 55.328 56.400 -0.090 0.000 0.761 301 E CB 1.611 31.249 29.700 -0.105 0.000 1.231 301 E HN 0.674 nan 8.360 nan 0.000 0.443 302 E N 2.527 122.680 120.200 -0.079 0.000 2.413 302 E HA 0.125 4.487 4.350 0.020 0.000 0.263 302 E C -0.258 176.179 176.600 -0.272 0.000 1.015 302 E CA 0.215 56.507 56.400 -0.180 0.000 0.916 302 E CB 0.652 30.212 29.700 -0.234 0.000 0.947 302 E HN 0.355 nan 8.360 nan 0.000 0.440 303 I N 3.300 123.718 120.570 -0.253 0.000 2.304 303 I HA 0.123 4.305 4.170 0.020 0.000 0.291 303 I C -0.033 175.963 176.117 -0.203 0.000 1.018 303 I CA -0.578 60.650 61.300 -0.121 0.000 1.260 303 I CB 0.396 38.373 38.000 -0.038 0.000 1.390 303 I HN 0.377 nan 8.210 nan 0.000 0.475 304 H N 5.996 125.115 119.070 0.082 0.000 2.511 304 H HA 0.459 5.027 4.556 0.020 0.000 0.328 304 H C -0.529 174.710 175.328 -0.148 0.000 1.044 304 H CA -0.450 55.544 56.048 -0.091 0.000 1.212 304 H CB 2.032 31.660 29.762 -0.224 0.000 1.428 304 H HN 0.223 nan 8.280 nan 0.000 0.483 305 V N 3.384 123.278 119.914 -0.034 0.000 2.630 305 V HA 0.097 4.229 4.120 0.020 0.000 0.305 305 V C 1.010 177.047 176.094 -0.096 0.000 1.046 305 V CA -0.514 61.736 62.300 -0.084 0.000 0.934 305 V CB 2.435 34.212 31.823 -0.075 0.000 1.003 305 V HN 0.560 nan 8.190 nan 0.000 0.451 306 V N 4.977 124.836 119.914 -0.092 0.000 3.660 306 V HA 0.376 4.508 4.120 0.020 0.000 0.276 306 V C 0.777 176.865 176.094 -0.010 0.000 1.317 306 V CA 0.239 62.510 62.300 -0.048 0.000 1.097 306 V CB -0.535 31.242 31.823 -0.076 0.000 0.863 306 V HN 0.802 nan 8.190 nan 0.000 0.438 307 L N 2.494 123.710 121.223 -0.011 0.000 3.386 307 L HA -0.205 4.147 4.340 0.020 0.000 0.594 307 L C -0.403 176.487 176.870 0.033 0.000 1.013 307 L CA 0.986 55.836 54.840 0.017 0.000 1.191 307 L CB -0.616 41.427 42.059 -0.026 0.000 1.210 307 L HN 0.790 nan 8.230 nan 0.000 0.684 308 D N 1.292 121.761 120.400 0.115 0.000 3.344 308 D HA 0.458 5.110 4.640 0.020 0.000 0.308 308 D C -0.476 176.014 176.300 0.317 0.000 1.356 308 D CA -0.117 53.980 54.000 0.162 0.000 0.998 308 D CB 0.950 41.819 40.800 0.115 0.000 1.370 308 D HN 0.198 nan 8.370 nan 0.000 0.610 309 T N 0.973 115.693 114.554 0.276 0.000 2.875 309 T HA 0.587 4.949 4.350 0.020 0.000 0.284 309 T C -2.437 172.339 174.700 0.126 0.000 0.995 309 T CA -0.835 61.411 62.100 0.243 0.000 1.060 309 T CB 1.309 70.297 68.868 0.199 0.000 0.967 309 T HN 0.188 nan 8.240 nan 0.000 0.476 310 P HA 0.146 nan 4.420 nan 0.000 0.266 310 P C -2.235 175.030 177.300 -0.058 0.000 1.195 310 P CA -0.965 62.094 63.100 -0.068 0.000 0.768 310 P CB -0.351 31.297 31.700 -0.087 0.000 0.838 311 P HA 0.046 nan 4.420 nan 0.000 0.269 311 P C -0.607 176.658 177.300 -0.058 0.000 1.215 311 P CA 0.155 63.220 63.100 -0.059 0.000 0.780 311 P CB 0.485 32.140 31.700 -0.075 0.000 0.898 312 D N 1.849 122.232 120.400 -0.028 0.000 2.280 312 D HA 0.185 4.837 4.640 0.020 0.000 0.243 312 D C -1.581 174.710 176.300 -0.014 0.000 1.129 312 D CA -2.343 51.644 54.000 -0.023 0.000 0.848 312 D CB 0.623 41.415 40.800 -0.014 0.000 1.107 312 D HN 0.049 nan 8.370 nan 0.000 0.471 313 P HA -0.132 nan 4.420 nan 0.000 0.217 313 P C 0.907 178.219 177.300 0.021 0.000 1.148 313 P CA 1.239 64.350 63.100 0.018 0.000 0.828 313 P CB 0.116 31.826 31.700 0.016 0.000 0.783 314 A N -0.935 121.887 122.820 0.004 0.000 2.186 314 A HA -0.128 4.203 4.320 0.020 0.000 0.219 314 A C 1.968 179.552 177.584 -0.001 0.000 1.159 314 A CA 1.098 53.134 52.037 -0.002 0.000 0.680 314 A CB -1.446 17.548 19.000 -0.010 0.000 0.787 314 A HN 0.193 nan 8.150 nan 0.000 0.467 315 L N -1.031 120.194 121.223 0.004 0.000 2.558 315 L HA 0.032 4.384 4.340 0.020 0.000 0.225 315 L C 0.564 177.444 176.870 0.017 0.000 1.128 315 L CA 0.315 55.155 54.840 0.001 0.000 0.868 315 L CB -0.034 42.022 42.059 -0.005 0.000 1.006 315 L HN 0.180 nan 8.230 nan 0.000 0.454 316 D N 0.042 120.469 120.400 0.046 0.000 2.388 316 D HA 0.006 4.658 4.640 0.020 0.000 0.221 316 D C 0.681 177.023 176.300 0.069 0.000 1.133 316 D CA 0.168 54.230 54.000 0.103 0.000 0.831 316 D CB 0.349 41.289 40.800 0.234 0.000 0.962 316 D HN 0.247 nan 8.370 nan 0.000 0.502 317 E N 1.227 121.440 120.200 0.022 0.000 2.331 317 E HA 0.145 4.507 4.350 0.020 0.000 0.272 317 E C -0.644 175.945 176.600 -0.020 0.000 1.036 317 E CA -0.236 56.159 56.400 -0.007 0.000 0.864 317 E CB 1.493 31.182 29.700 -0.018 0.000 1.035 317 E HN -0.224 nan 8.360 nan 0.000 0.408 318 V N 5.105 124.997 119.914 -0.036 0.000 2.481 318 V HA 0.295 4.426 4.120 0.020 0.000 0.286 318 V C 0.672 176.721 176.094 -0.074 0.000 1.042 318 V CA -0.709 61.563 62.300 -0.046 0.000 0.928 318 V CB 1.103 32.898 31.823 -0.047 0.000 0.986 318 V HN 0.725 nan 8.190 nan 0.000 0.462 319 R N 2.837 123.266 120.500 -0.117 0.000 2.679 319 R HA 0.371 4.722 4.340 0.020 0.000 0.269 319 R C -0.670 175.541 176.300 -0.148 0.000 1.076 319 R CA -0.789 55.210 56.100 -0.169 0.000 1.160 319 R CB 0.385 30.502 30.300 -0.305 0.000 1.054 319 R HN 0.521 nan 8.270 nan 0.000 0.507 320 K N 1.961 122.284 120.400 -0.129 0.000 2.368 320 K HA 0.082 4.414 4.320 0.020 0.000 0.282 320 K C -0.006 176.543 176.600 -0.084 0.000 1.035 320 K CA -0.155 56.079 56.287 -0.089 0.000 0.973 320 K CB 0.452 32.908 32.500 -0.073 0.000 0.957 320 K HN 0.453 nan 8.250 nan 0.000 0.474 352 V N 2.479 122.328 119.914 -0.108 0.000 2.472 352 V HA 0.623 4.754 4.120 0.020 0.000 0.290 352 V C 0.770 176.833 176.094 -0.051 0.000 1.037 352 V CA -0.586 61.672 62.300 -0.070 0.000 0.908 352 V CB 1.950 33.767 31.823 -0.010 0.000 0.985 352 V HN 0.934 nan 8.190 nan 0.000 0.454 353 S N 3.143 118.808 115.700 -0.058 0.000 2.510 353 S HA 0.129 4.611 4.470 0.020 0.000 0.279 353 S C 1.024 175.588 174.600 -0.060 0.000 1.284 353 S CA -0.459 57.678 58.200 -0.105 0.000 1.059 353 S CB 0.267 63.417 63.200 -0.083 0.000 0.901 353 S HN 0.682 nan 8.310 nan 0.000 0.491 354 L N 6.445 127.590 121.223 -0.129 0.000 2.129 354 L HA -0.027 4.325 4.340 0.020 0.000 0.212 354 L C 1.138 178.106 176.870 0.163 0.000 1.087 354 L CA 1.648 56.473 54.840 -0.026 0.000 0.757 354 L CB -0.200 41.820 42.059 -0.066 0.000 0.896 354 L HN 0.786 nan 8.230 nan 0.000 0.434 355 W N -0.069 121.227 121.300 -0.008 0.000 3.310 355 W HA 0.102 4.775 4.660 0.022 0.000 0.259 355 W C 0.595 177.112 176.519 -0.004 0.000 1.324 355 W CA -0.198 57.141 57.345 -0.010 0.000 1.636 355 W CB -0.591 28.860 29.460 -0.016 0.000 1.104 355 W HN 0.262 nan 8.180 nan 0.000 0.722 356 D N -0.773 119.741 120.400 0.191 0.000 2.670 356 D HA 0.145 4.796 4.640 0.020 0.000 0.255 356 D C -0.549 175.808 176.300 0.095 0.000 1.286 356 D CA 0.151 54.224 54.000 0.121 0.000 0.830 356 D CB -0.092 40.763 40.800 0.091 0.000 1.065 356 D HN -0.180 nan 8.370 nan 0.000 0.486 357 C N 0.717 120.077 119.300 0.101 0.000 2.534 357 C HA 0.266 4.737 4.460 0.020 0.000 0.309 357 C C 1.023 176.063 174.990 0.083 0.000 1.072 357 C CA -0.967 58.099 59.018 0.079 0.000 1.441 357 C CB 0.722 28.494 27.740 0.052 0.000 1.906 357 C HN 0.111 nan 8.230 nan 0.000 0.429 358 D N 0.391 120.833 120.400 0.070 0.000 2.347 358 D HA -0.005 4.647 4.640 0.020 0.000 0.213 358 D C 1.247 177.586 176.300 0.065 0.000 0.985 358 D CA 0.335 54.371 54.000 0.059 0.000 0.879 358 D CB 0.113 40.939 40.800 0.042 0.000 0.919 358 D HN 0.526 nan 8.370 nan 0.000 0.526 359 R N 1.740 122.284 120.500 0.074 0.000 2.523 359 R HA -0.049 4.302 4.340 0.020 0.000 0.281 359 R C -0.218 176.144 176.300 0.103 0.000 0.969 359 R CA 0.214 56.358 56.100 0.074 0.000 1.093 359 R CB 0.337 30.692 30.300 0.092 0.000 0.917 359 R HN -0.096 nan 8.270 nan 0.000 0.408 360 K N 4.438 124.891 120.400 0.087 0.000 2.447 360 K HA -0.064 4.268 4.320 0.020 0.000 0.281 360 K C -0.036 176.677 176.600 0.187 0.000 1.031 360 K CA 0.099 56.469 56.287 0.137 0.000 1.019 360 K CB 0.275 32.835 32.500 0.099 0.000 0.918 360 K HN 0.403 nan 8.250 nan 0.000 0.476 361 F N 4.224 124.260 119.950 0.143 0.000 2.496 361 F HA 0.086 4.625 4.527 0.020 0.000 0.344 361 F C 0.462 176.452 175.800 0.317 0.000 1.155 361 F CA 0.257 58.372 58.000 0.192 0.000 1.302 361 F CB 0.559 39.647 39.000 0.147 0.000 1.159 361 F HN 0.587 nan 8.300 nan 0.000 0.595 362 R N 3.433 123.437 120.500 -0.827 0.000 2.733 362 R HA 0.809 5.161 4.340 0.020 0.000 0.272 362 R C -2.371 173.686 176.300 -0.406 0.000 1.029 362 R CA -1.203 54.674 56.100 -0.372 0.000 0.888 362 R CB 1.669 31.901 30.300 -0.115 0.000 1.251 362 R HN 0.661 nan 8.270 nan 0.000 0.464 363 V N 0.585 120.535 119.914 0.061 0.000 2.891 363 V HA 0.473 4.604 4.120 0.020 0.000 0.304 363 V C -1.419 174.670 176.094 -0.009 0.000 1.171 363 V CA -0.820 61.548 62.300 0.113 0.000 0.943 363 V CB 2.227 34.163 31.823 0.189 0.000 1.037 363 V HN 0.837 nan 8.190 nan 0.000 0.427 364 K N 6.485 126.657 120.400 -0.380 0.000 2.227 364 K HA 0.540 4.871 4.320 0.020 0.000 0.280 364 K C -0.770 175.616 176.600 -0.356 0.000 1.041 364 K CA -0.701 55.156 56.287 -0.715 0.000 0.905 364 K CB 1.008 32.634 32.500 -1.456 0.000 1.068 364 K HN 0.627 nan 8.250 nan 0.000 0.470 365 I N 6.661 127.069 120.570 -0.271 0.000 2.281 365 I HA 0.128 4.309 4.170 0.020 0.000 0.293 365 I C 1.389 177.457 176.117 -0.082 0.000 1.085 365 I CA -0.110 61.090 61.300 -0.168 0.000 1.257 365 I CB 0.627 38.488 38.000 -0.232 0.000 1.430 365 I HN 0.750 nan 8.210 nan 0.000 0.489 366 R N 4.062 124.517 120.500 -0.075 0.000 2.081 366 R HA 0.069 4.420 4.340 0.020 0.000 0.235 366 R C 1.012 177.379 176.300 0.110 0.000 1.131 366 R CA 0.907 56.992 56.100 -0.024 0.000 0.960 366 R CB -0.019 30.251 30.300 -0.050 0.000 0.856 366 R HN 0.832 nan 8.270 nan 0.000 0.436 367 G N 0.580 109.484 108.800 0.173 0.000 2.357 367 G HA2 0.177 4.149 3.960 0.020 0.000 0.289 367 G HA3 0.177 4.149 3.960 0.020 0.000 0.289 367 G C -1.438 173.569 174.900 0.178 0.000 1.302 367 G CA -0.493 44.812 45.100 0.341 0.000 0.936 367 G HN 0.229 nan 8.290 nan 0.000 0.513 368 I N -1.880 118.787 120.570 0.162 0.000 2.730 368 I HA 0.830 5.012 4.170 0.020 0.000 0.298 368 I C -1.581 174.527 176.117 -0.013 0.000 1.089 368 I CA -1.056 60.270 61.300 0.044 0.000 1.041 368 I CB 2.663 40.699 38.000 0.060 0.000 1.235 368 I HN 0.658 nan 8.210 nan 0.000 0.423 369 D N 6.176 126.542 120.400 -0.057 0.000 2.780 369 D HA 0.472 5.124 4.640 0.020 0.000 0.242 369 D C -1.430 174.831 176.300 -0.065 0.000 1.135 369 D CA -0.345 53.627 54.000 -0.047 0.000 0.859 369 D CB 2.962 43.731 40.800 -0.051 0.000 1.530 369 D HN 0.578 nan 8.370 nan 0.000 0.493 370 I N 2.723 123.276 120.570 -0.028 0.000 2.498 370 I HA 0.258 4.440 4.170 0.020 0.000 0.290 370 I C -2.052 174.052 176.117 -0.021 0.000 1.032 370 I CA -2.803 58.470 61.300 -0.045 0.000 1.073 370 I CB 2.398 40.371 38.000 -0.044 0.000 1.251 370 I HN 0.155 nan 8.210 nan 0.000 0.426 371 P HA -0.060 nan 4.420 nan 0.000 0.219 371 P C -0.147 177.143 177.300 -0.015 0.000 1.146 371 P CA 1.007 64.100 63.100 -0.012 0.000 0.808 371 P CB 0.287 31.983 31.700 -0.006 0.000 0.779 372 V N -1.159 118.743 119.914 -0.020 0.000 2.789 372 V HA 0.337 4.469 4.120 0.020 0.000 0.300 372 V C -1.019 175.046 176.094 -0.048 0.000 1.184 372 V CA -1.101 61.182 62.300 -0.028 0.000 0.930 372 V CB 1.477 33.290 31.823 -0.016 0.000 1.041 372 V HN -0.149 nan 8.190 nan 0.000 0.430 380 T N 0.869 115.569 114.554 0.244 0.000 2.855 380 T HA 0.826 5.187 4.350 0.020 0.000 0.281 380 T C -1.304 173.517 174.700 0.203 0.000 1.007 380 T CA -0.337 61.889 62.100 0.209 0.000 1.009 380 T CB 1.357 70.332 68.868 0.179 0.000 0.983 380 T HN 0.426 nan 8.240 nan 0.000 0.455 381 V N 5.982 125.974 119.914 0.131 0.000 2.971 381 V HA 0.936 5.068 4.120 0.020 0.000 0.309 381 V C -1.566 174.692 176.094 0.272 0.000 1.130 381 V CA -0.807 61.483 62.300 -0.016 0.000 0.964 381 V CB 1.840 33.292 31.823 -0.618 0.000 1.029 381 V HN 0.941 nan 8.190 nan 0.000 0.427 382 F N 3.358 123.397 119.950 0.148 0.000 2.686 382 F HA 0.864 5.402 4.527 0.019 0.000 0.311 382 F C -1.598 174.197 175.800 -0.007 0.000 1.128 382 F CA -1.088 57.001 58.000 0.148 0.000 0.946 382 F CB 1.604 40.672 39.000 0.112 0.000 1.336 382 F HN 0.248 nan 8.300 nan 0.000 0.457 383 V N 1.430 121.320 119.914 -0.041 0.000 2.398 383 V HA 0.392 4.524 4.120 0.020 0.000 0.286 383 V C -0.609 175.553 176.094 0.114 0.000 1.026 383 V CA -0.534 61.684 62.300 -0.137 0.000 0.868 383 V CB 1.384 32.946 31.823 -0.434 0.000 0.982 383 V HN 0.837 nan 8.190 nan 0.000 0.443 384 E N 3.065 123.381 120.200 0.193 0.000 2.166 384 E HA 0.712 5.074 4.350 0.020 0.000 0.275 384 E C -0.684 176.022 176.600 0.178 0.000 0.941 384 E CA -0.620 55.949 56.400 0.281 0.000 0.784 384 E CB 1.664 31.670 29.700 0.509 0.000 1.115 384 E HN 0.823 nan 8.360 nan 0.000 0.399 385 A N 4.950 127.884 122.820 0.190 0.000 2.304 385 A HA 0.496 4.828 4.320 0.020 0.000 0.314 385 A C -0.938 176.857 177.584 0.352 0.000 1.187 385 A CA -0.868 51.329 52.037 0.266 0.000 0.810 385 A CB 0.776 19.990 19.000 0.356 0.000 1.183 385 A HN 0.661 nan 8.150 nan 0.000 0.487 386 N N 1.814 120.641 118.700 0.211 0.000 2.269 386 N HA 0.452 5.204 4.740 0.020 0.000 0.304 386 N C -1.145 174.330 175.510 -0.058 0.000 1.072 386 N CA -0.339 52.781 53.050 0.117 0.000 0.802 386 N CB 2.001 40.533 38.487 0.075 0.000 1.348 386 N HN 0.557 nan 8.380 nan 0.000 0.484 387 I N 2.160 122.615 120.570 -0.191 0.000 2.306 387 I HA 0.156 4.337 4.170 0.020 0.000 0.288 387 I C 0.131 176.163 176.117 -0.142 0.000 1.036 387 I CA -0.318 60.817 61.300 -0.274 0.000 1.221 387 I CB 0.496 38.212 38.000 -0.472 0.000 1.385 387 I HN 0.187 nan 8.210 nan 0.000 0.472 388 Q N 5.073 124.804 119.800 -0.114 0.000 2.266 388 Q HA 0.439 4.791 4.340 0.020 0.000 0.261 388 Q C -0.655 175.320 176.000 -0.042 0.000 0.985 388 Q CA -0.664 55.092 55.803 -0.079 0.000 0.873 388 Q CB 2.719 31.388 28.738 -0.116 0.000 1.306 388 Q HN 0.511 nan 8.270 nan 0.000 0.447 389 H N 0.082 119.072 119.070 -0.134 0.000 2.744 389 H HA 0.241 4.809 4.556 0.019 0.000 0.339 389 H C 0.129 175.330 175.328 -0.210 0.000 1.004 389 H CA 0.283 56.225 56.048 -0.177 0.000 1.257 389 H CB 1.523 31.202 29.762 -0.138 0.000 1.552 389 H HN 0.964 nan 8.280 nan 0.000 0.522 390 G N 4.195 112.669 108.800 -0.542 0.000 2.395 390 G HA2 -0.366 3.605 3.960 0.020 0.000 0.300 390 G HA3 -0.366 3.605 3.960 0.020 0.000 0.300 390 G C 0.540 175.269 174.900 -0.285 0.000 0.998 390 G CA 1.548 46.373 45.100 -0.459 0.000 1.046 390 G HN 0.890 nan 8.290 nan 0.000 0.513 391 Q N -2.522 117.142 119.800 -0.226 0.000 2.282 391 Q HA -0.260 4.092 4.340 0.020 0.000 0.182 391 Q C 0.673 176.618 176.000 -0.092 0.000 0.609 391 Q CA 2.666 58.368 55.803 -0.169 0.000 1.397 391 Q CB -1.224 27.413 28.738 -0.168 0.000 1.458 391 Q HN 1.032 nan 8.270 nan 0.000 0.852 392 Q N 0.232 119.994 119.800 -0.064 0.000 2.286 392 Q HA 0.473 4.825 4.340 0.020 0.000 0.257 392 Q C -0.988 175.015 176.000 0.004 0.000 0.941 392 Q CA -0.088 55.719 55.803 0.006 0.000 0.912 392 Q CB 1.015 29.804 28.738 0.085 0.000 1.192 392 Q HN 0.156 nan 8.270 nan 0.000 0.410 393 V N 6.679 126.600 119.914 0.012 0.000 2.383 393 V HA 0.084 4.216 4.120 0.020 0.000 0.275 393 V C 0.993 177.097 176.094 0.018 0.000 1.036 393 V CA -0.158 62.148 62.300 0.010 0.000 0.889 393 V CB 1.145 32.984 31.823 0.027 0.000 0.985 393 V HN 0.900 nan 8.190 nan 0.000 0.459 394 L N 3.222 124.446 121.223 0.001 0.000 2.102 394 L HA 0.189 4.541 4.340 0.020 0.000 0.202 394 L C 0.918 177.800 176.870 0.019 0.000 1.076 394 L CA 1.085 55.923 54.840 -0.004 0.000 0.761 394 L CB 0.107 42.141 42.059 -0.040 0.000 0.921 394 L HN 0.673 nan 8.230 nan 0.000 0.444 395 C N -0.912 118.404 119.300 0.027 0.000 3.173 395 C HA 0.541 5.013 4.460 0.020 0.000 0.310 395 C C -1.123 174.007 174.990 0.234 0.000 1.306 395 C CA -0.450 58.652 59.018 0.141 0.000 1.426 395 C CB 2.051 29.935 27.740 0.240 0.000 1.800 395 C HN 0.438 nan 8.230 nan 0.000 0.470 396 Q N 3.001 122.972 119.800 0.284 0.000 2.359 396 Q HA 0.758 5.109 4.340 0.020 0.000 0.274 396 Q C -1.304 174.815 176.000 0.199 0.000 1.074 396 Q CA -0.588 55.379 55.803 0.274 0.000 0.810 396 Q CB 1.537 30.367 28.738 0.154 0.000 1.342 396 Q HN 0.759 nan 8.270 nan 0.000 0.427 397 R N 1.921 122.504 120.500 0.137 0.000 2.707 397 R HA 0.600 4.952 4.340 0.020 0.000 0.272 397 R C -1.054 175.228 176.300 -0.030 0.000 1.011 397 R CA -0.664 55.400 56.100 -0.060 0.000 0.893 397 R CB 2.041 32.139 30.300 -0.336 0.000 1.233 397 R HN 0.746 nan 8.270 nan 0.000 0.464 398 R N -0.456 119.996 120.500 -0.079 0.000 2.930 398 R HA 0.570 4.921 4.340 0.020 0.000 0.257 398 R C -0.117 176.088 176.300 -0.159 0.000 1.107 398 R CA -0.845 55.213 56.100 -0.070 0.000 0.999 398 R CB 1.844 32.072 30.300 -0.120 0.000 1.209 398 R HN 0.769 nan 8.270 nan 0.000 0.486 399 T N -1.867 112.565 114.554 -0.203 0.000 2.936 399 T HA 0.315 4.677 4.350 0.020 0.000 0.282 399 T C 0.473 175.115 174.700 -0.097 0.000 1.003 399 T CA -0.849 61.068 62.100 -0.304 0.000 1.005 399 T CB 1.377 69.670 68.868 -0.958 0.000 1.097 399 T HN 0.604 nan 8.240 nan 0.000 0.532 400 S N 1.187 116.931 115.700 0.073 0.000 2.579 400 S HA 0.381 4.863 4.470 0.020 0.000 0.275 400 S C -2.551 172.256 174.600 0.344 0.000 1.345 400 S CA -0.976 57.318 58.200 0.157 0.000 1.031 400 S CB -0.507 62.804 63.200 0.184 0.000 0.892 400 S HN 0.684 nan 8.310 nan 0.000 0.529 401 P HA 0.518 nan 4.420 nan 0.000 0.272 401 P C -0.780 176.673 177.300 0.254 0.000 1.230 401 P CA -0.472 62.810 63.100 0.302 0.000 0.788 401 P CB 0.370 32.181 31.700 0.185 0.000 0.949 402 K N 1.162 121.685 120.400 0.206 0.000 2.556 402 K HA 0.532 4.864 4.320 0.020 0.000 0.274 402 K C -2.827 173.787 176.600 0.024 0.000 0.966 402 K CA -2.231 54.068 56.287 0.020 0.000 0.865 402 K CB 1.244 33.602 32.500 -0.236 0.000 1.444 402 K HN 0.146 nan 8.250 nan 0.000 0.433 403 P HA 0.002 nan 4.420 nan 0.000 0.265 403 P C -0.984 176.373 177.300 0.094 0.000 1.193 403 P CA -0.066 63.068 63.100 0.056 0.000 0.765 403 P CB 0.230 31.946 31.700 0.026 0.000 0.823 404 F N 4.475 124.432 119.950 0.011 0.000 2.405 404 F HA 0.265 4.804 4.527 0.020 0.000 0.358 404 F C 0.708 176.502 175.800 -0.010 0.000 1.151 404 F CA -0.212 57.796 58.000 0.012 0.000 1.161 404 F CB -0.674 38.353 39.000 0.046 0.000 1.245 404 F HN 0.233 nan 8.300 nan 0.000 0.545 405 T N 1.283 116.051 114.554 0.356 0.000 2.762 405 T HA 0.342 4.703 4.350 0.020 0.000 0.272 405 T C 0.896 175.688 174.700 0.153 0.000 0.982 405 T CA -0.634 61.561 62.100 0.158 0.000 1.013 405 T CB 1.169 70.068 68.868 0.051 0.000 1.309 405 T HN 0.302 nan 8.240 nan 0.000 0.572 406 E N 0.338 120.570 120.200 0.054 0.000 2.268 406 E HA 0.048 4.410 4.350 0.020 0.000 0.195 406 E C 0.510 177.128 176.600 0.029 0.000 0.995 406 E CA 0.918 57.337 56.400 0.032 0.000 0.836 406 E CB 0.138 29.838 29.700 0.001 0.000 0.763 406 E HN 0.745 nan 8.360 nan 0.000 0.491 407 E N -0.070 120.136 120.200 0.010 0.000 2.308 407 E HA 0.378 4.739 4.350 0.020 0.000 0.275 407 E C -1.678 174.872 176.600 -0.083 0.000 0.890 407 E CA -0.427 55.956 56.400 -0.029 0.000 0.754 407 E CB 2.252 31.927 29.700 -0.042 0.000 1.207 407 E HN -0.242 nan 8.360 nan 0.000 0.426 408 V N 5.297 125.127 119.914 -0.140 0.000 2.524 408 V HA 0.415 4.546 4.120 0.020 0.000 0.297 408 V C -0.572 175.281 176.094 -0.402 0.000 1.035 408 V CA -0.632 61.456 62.300 -0.353 0.000 0.867 408 V CB 1.333 32.857 31.823 -0.497 0.000 1.004 408 V HN 0.590 nan 8.190 nan 0.000 0.426 409 L N 3.550 124.520 121.223 -0.421 0.000 2.334 409 L HA 0.585 4.936 4.340 0.020 0.000 0.273 409 L C 0.275 176.948 176.870 -0.328 0.000 1.013 409 L CA -0.217 54.489 54.840 -0.224 0.000 0.816 409 L CB 2.387 44.373 42.059 -0.123 0.000 1.278 409 L HN 0.627 nan 8.230 nan 0.000 0.431 410 W N -0.053 121.205 121.300 -0.069 0.000 3.792 410 W HA 0.080 4.753 4.660 0.020 0.000 0.217 410 W C 0.900 177.367 176.519 -0.086 0.000 1.098 410 W CA 0.102 57.407 57.345 -0.066 0.000 1.657 410 W CB 0.252 29.673 29.460 -0.065 0.000 0.773 410 W HN 0.799 nan 8.180 nan 0.000 0.836 411 N N 1.069 119.851 118.700 0.137 0.000 2.714 411 N HA -0.195 4.557 4.740 0.020 0.000 0.250 411 N C -0.632 174.827 175.510 -0.084 0.000 1.117 411 N CA 1.004 54.037 53.050 -0.029 0.000 0.719 411 N CB -1.350 37.118 38.487 -0.032 0.000 1.081 411 N HN -0.065 nan 8.380 nan 0.000 0.557 412 V N -2.861 117.027 119.914 -0.043 0.000 2.567 412 V HA 0.637 4.769 4.120 0.020 0.000 0.289 412 V C 0.772 176.751 176.094 -0.192 0.000 1.049 412 V CA -1.060 61.204 62.300 -0.061 0.000 0.969 412 V CB 0.777 32.605 31.823 0.008 0.000 0.995 412 V HN 0.227 nan 8.190 nan 0.000 0.471 413 W N 3.353 124.616 121.300 -0.061 0.000 2.238 413 W HA 0.588 5.259 4.660 0.019 0.000 0.321 413 W C -0.042 176.386 176.519 -0.152 0.000 1.293 413 W CA -0.410 56.873 57.345 -0.104 0.000 1.204 413 W CB 0.796 30.195 29.460 -0.101 0.000 1.167 413 W HN 0.485 nan 8.180 nan 0.000 0.553 414 L N 3.531 124.771 121.223 0.030 0.000 2.277 414 L HA 0.259 4.610 4.340 0.020 0.000 0.284 414 L C 0.071 176.771 176.870 -0.284 0.000 1.028 414 L CA -0.695 54.026 54.840 -0.199 0.000 0.835 414 L CB 1.021 42.868 42.059 -0.354 0.000 1.215 414 L HN 0.421 nan 8.230 nan 0.000 0.425 415 E N 2.949 123.022 120.200 -0.211 0.000 2.259 415 E HA 0.348 4.710 4.350 0.020 0.000 0.281 415 E C -1.073 175.403 176.600 -0.206 0.000 1.027 415 E CA -0.423 55.890 56.400 -0.146 0.000 0.838 415 E CB 0.847 30.507 29.700 -0.066 0.000 1.066 415 E HN 0.248 nan 8.360 nan 0.000 0.401 416 F N 1.504 121.510 119.950 0.093 0.000 2.403 416 F HA 0.130 4.668 4.527 0.019 0.000 0.326 416 F C 1.638 177.496 175.800 0.097 0.000 1.081 416 F CA -0.355 57.722 58.000 0.129 0.000 1.041 416 F CB 1.600 40.750 39.000 0.249 0.000 1.234 416 F HN 0.564 nan 8.300 nan 0.000 0.503 417 S N 0.416 116.287 115.700 0.285 0.000 2.650 417 S HA 0.282 4.764 4.470 0.020 0.000 0.219 417 S C 0.107 174.794 174.600 0.145 0.000 0.960 417 S CA -0.009 58.287 58.200 0.159 0.000 0.925 417 S CB -0.948 62.318 63.200 0.110 0.000 0.775 417 S HN 0.392 nan 8.310 nan 0.000 0.525 418 I N 1.333 122.023 120.570 0.199 0.000 2.460 418 I HA 0.385 4.567 4.170 0.020 0.000 0.298 418 I C -0.016 176.192 176.117 0.152 0.000 0.989 418 I CA -0.972 60.403 61.300 0.124 0.000 1.173 418 I CB 1.843 39.878 38.000 0.059 0.000 1.338 418 I HN -0.053 nan 8.210 nan 0.000 0.456 419 K N 4.336 124.792 120.400 0.094 0.000 2.118 419 K HA 0.326 4.658 4.320 0.020 0.000 0.264 419 K C 0.826 177.495 176.600 0.114 0.000 1.000 419 K CA -0.770 55.582 56.287 0.108 0.000 0.929 419 K CB 1.385 33.924 32.500 0.065 0.000 1.021 419 K HN 0.432 nan 8.250 nan 0.000 0.463 420 I N 2.532 123.196 120.570 0.157 0.000 2.248 420 I HA -0.305 3.877 4.170 0.020 0.000 0.248 420 I C 1.970 178.154 176.117 0.111 0.000 1.107 420 I CA 1.898 63.288 61.300 0.151 0.000 1.373 420 I CB -0.939 37.154 38.000 0.155 0.000 1.055 420 I HN 0.686 nan 8.210 nan 0.000 0.418 421 K N -0.226 120.248 120.400 0.124 0.000 2.432 421 K HA -0.050 4.282 4.320 0.020 0.000 0.196 421 K C 0.900 177.570 176.600 0.117 0.000 1.038 421 K CA 0.925 57.326 56.287 0.190 0.000 0.986 421 K CB -0.048 32.556 32.500 0.172 0.000 0.782 421 K HN 0.174 nan 8.250 nan 0.000 0.485 422 D N 1.030 121.455 120.400 0.042 0.000 2.349 422 D HA 0.122 4.773 4.640 0.020 0.000 0.214 422 D C -0.035 176.249 176.300 -0.027 0.000 1.063 422 D CA 0.065 54.056 54.000 -0.016 0.000 0.847 422 D CB 0.268 41.048 40.800 -0.033 0.000 0.933 422 D HN 0.177 nan 8.370 nan 0.000 0.513 423 L N 3.358 124.567 121.223 -0.023 0.000 2.360 423 L HA 0.193 4.545 4.340 0.020 0.000 0.276 423 L C -1.950 174.910 176.870 -0.017 0.000 1.121 423 L CA -1.331 53.460 54.840 -0.081 0.000 0.845 423 L CB 0.554 42.514 42.059 -0.164 0.000 1.143 423 L HN -0.197 nan 8.230 nan 0.000 0.452 424 P HA 0.115 nan 4.420 nan 0.000 0.281 424 P C -0.980 176.331 177.300 0.018 0.000 1.249 424 P CA -0.777 62.303 63.100 -0.033 0.000 0.810 424 P CB 1.003 32.551 31.700 -0.253 0.000 1.008 425 K N 0.906 121.356 120.400 0.083 0.000 2.451 425 K HA 0.286 4.618 4.320 0.020 0.000 0.280 425 K C 1.045 177.751 176.600 0.176 0.000 1.020 425 K CA 0.977 57.318 56.287 0.091 0.000 1.008 425 K CB -0.619 31.904 32.500 0.038 0.000 0.917 425 K HN 0.812 nan 8.250 nan 0.000 0.478 426 G N 2.037 110.917 108.800 0.134 0.000 2.218 426 G HA2 -0.248 3.723 3.960 0.020 0.000 0.216 426 G HA3 -0.248 3.723 3.960 0.020 0.000 0.216 426 G C 0.123 175.000 174.900 -0.038 0.000 0.994 426 G CA -0.102 44.988 45.100 -0.017 0.000 0.637 426 G HN 0.926 nan 8.290 nan 0.000 0.505 427 A N 0.486 123.345 122.820 0.066 0.000 2.561 427 A HA 0.536 4.868 4.320 0.020 0.000 0.234 427 A C 0.492 177.999 177.584 -0.129 0.000 1.055 427 A CA 0.660 52.686 52.037 -0.017 0.000 0.756 427 A CB 0.158 19.096 19.000 -0.103 0.000 0.986 427 A HN 0.970 nan 8.150 nan 0.000 0.505 428 L N 2.215 123.351 121.223 -0.145 0.000 2.329 428 L HA 0.375 4.727 4.340 0.020 0.000 0.279 428 L C -0.434 176.345 176.870 -0.152 0.000 1.014 428 L CA -1.004 53.746 54.840 -0.150 0.000 0.814 428 L CB 1.672 43.648 42.059 -0.139 0.000 1.257 428 L HN 0.701 nan 8.230 nan 0.000 0.424 429 L N 4.606 125.751 121.223 -0.131 0.000 2.278 429 L HA 0.280 4.632 4.340 0.020 0.000 0.287 429 L C -0.027 176.821 176.870 -0.037 0.000 1.072 429 L CA 0.384 55.173 54.840 -0.085 0.000 0.819 429 L CB 0.456 42.500 42.059 -0.025 0.000 1.176 429 L HN 0.558 nan 8.230 nan 0.000 0.435 430 N N 6.373 125.065 118.700 -0.012 0.000 2.444 430 N HA 0.299 5.051 4.740 0.020 0.000 0.262 430 N C -1.536 174.016 175.510 0.069 0.000 0.974 430 N CA -0.483 52.581 53.050 0.023 0.000 0.933 430 N CB 0.877 39.359 38.487 -0.009 0.000 1.137 430 N HN 0.654 nan 8.380 nan 0.000 0.498 431 L N 2.965 124.233 121.223 0.076 0.000 2.296 431 L HA 0.418 4.769 4.340 0.020 0.000 0.286 431 L C 0.026 176.939 176.870 0.072 0.000 1.023 431 L CA -0.546 54.334 54.840 0.066 0.000 0.812 431 L CB 1.696 43.771 42.059 0.027 0.000 1.223 431 L HN 0.424 nan 8.230 nan 0.000 0.421 432 Q N 3.779 123.601 119.800 0.037 0.000 2.451 432 Q HA 0.672 5.024 4.340 0.020 0.000 0.281 432 Q C -1.243 174.642 176.000 -0.193 0.000 1.099 432 Q CA -0.842 54.922 55.803 -0.065 0.000 0.806 432 Q CB 3.520 32.182 28.738 -0.126 0.000 1.419 432 Q HN 0.509 nan 8.270 nan 0.000 0.427 433 I N 1.687 122.066 120.570 -0.319 0.000 2.447 433 I HA 0.402 4.584 4.170 0.020 0.000 0.287 433 I C -1.279 174.527 176.117 -0.519 0.000 1.023 433 I CA -0.612 60.499 61.300 -0.314 0.000 1.083 433 I CB 0.954 38.923 38.000 -0.052 0.000 1.245 433 I HN 0.529 nan 8.210 nan 0.000 0.434 434 Y N 4.645 124.634 120.300 -0.519 0.000 2.650 434 Y HA 0.762 5.323 4.550 0.020 0.000 0.331 434 Y C 0.422 176.105 175.900 -0.361 0.000 1.082 434 Y CA -0.563 57.237 58.100 -0.499 0.000 1.171 434 Y CB 1.829 39.792 38.460 -0.827 0.000 1.326 434 Y HN 0.749 nan 8.280 nan 0.000 0.513 459 R N 3.530 124.156 120.500 0.210 0.000 2.740 459 R HA 0.866 5.218 4.340 0.020 0.000 0.282 459 R C -1.402 175.063 176.300 0.274 0.000 0.969 459 R CA -0.800 55.426 56.100 0.210 0.000 0.918 459 R CB 2.686 33.064 30.300 0.130 0.000 1.175 459 R HN 0.595 nan 8.270 nan 0.000 0.464 460 L N 2.487 123.831 121.223 0.201 0.000 2.350 460 L HA 0.281 4.633 4.340 0.020 0.000 0.275 460 L C -0.035 176.776 176.870 -0.099 0.000 1.099 460 L CA -0.041 54.750 54.840 -0.083 0.000 0.808 460 L CB 0.954 42.986 42.059 -0.045 0.000 1.149 460 L HN 0.869 nan 8.230 nan 0.000 0.442 461 L N 3.433 124.548 121.223 -0.179 0.000 2.713 461 L HA 0.316 4.667 4.340 0.020 0.000 0.223 461 L C -0.797 175.748 176.870 -0.541 0.000 1.040 461 L CA -0.291 54.398 54.840 -0.253 0.000 0.894 461 L CB 0.497 42.555 42.059 -0.001 0.000 1.361 461 L HN 0.487 nan 8.230 nan 0.000 0.490 462 Y N -0.784 119.516 120.300 -0.001 0.000 2.504 462 Y HA 0.459 5.021 4.550 0.020 0.000 0.344 462 Y C -0.861 175.090 175.900 0.085 0.000 1.023 462 Y CA -1.241 56.885 58.100 0.043 0.000 1.020 462 Y CB 1.707 40.160 38.460 -0.012 0.000 1.282 462 Y HN -0.011 nan 8.280 nan 0.000 0.454 463 Y N 0.224 120.633 120.300 0.180 0.000 2.553 463 Y HA 0.920 5.482 4.550 0.020 0.000 0.347 463 Y C -1.837 174.188 175.900 0.207 0.000 1.019 463 Y CA -1.508 56.669 58.100 0.129 0.000 1.032 463 Y CB 1.745 40.262 38.460 0.094 0.000 1.284 463 Y HN 0.562 nan 8.280 nan 0.000 0.466 464 V N 2.267 122.303 119.914 0.203 0.000 3.178 464 V HA 0.566 4.697 4.120 0.020 0.000 0.302 464 V C -1.934 174.256 176.094 0.160 0.000 1.262 464 V CA -0.826 61.568 62.300 0.157 0.000 1.030 464 V CB 2.594 34.412 31.823 -0.008 0.000 1.074 464 V HN 1.018 nan 8.190 nan 0.000 0.438 465 N N 2.614 121.398 118.700 0.139 0.000 2.265 465 N HA 0.754 5.506 4.740 0.020 0.000 0.300 465 N C -1.760 173.748 175.510 -0.005 0.000 1.148 465 N CA -0.373 52.713 53.050 0.059 0.000 0.772 465 N CB 2.474 40.997 38.487 0.061 0.000 1.434 465 N HN 0.615 nan 8.380 nan 0.000 0.481 466 L N 1.031 122.217 121.223 -0.061 0.000 2.470 466 L HA 0.478 4.830 4.340 0.020 0.000 0.268 466 L C -1.306 175.501 176.870 -0.105 0.000 0.964 466 L CA -0.458 54.321 54.840 -0.102 0.000 0.839 466 L CB 1.416 43.328 42.059 -0.246 0.000 1.276 466 L HN 0.464 nan 8.230 nan 0.000 0.403 467 L N 5.617 126.788 121.223 -0.087 0.000 2.499 467 L HA 0.088 4.440 4.340 0.020 0.000 0.273 467 L C 1.139 177.957 176.870 -0.088 0.000 1.195 467 L CA 0.155 54.925 54.840 -0.118 0.000 0.882 467 L CB 0.643 42.620 42.059 -0.137 0.000 1.133 467 L HN 0.787 nan 8.230 nan 0.000 0.483 468 L N 4.680 125.836 121.223 -0.111 0.000 2.270 468 L HA 0.121 4.472 4.340 0.020 0.000 0.210 468 L C 0.496 177.332 176.870 -0.057 0.000 1.104 468 L CA 0.733 55.505 54.840 -0.113 0.000 0.804 468 L CB 0.046 41.956 42.059 -0.247 0.000 0.937 468 L HN 0.517 nan 8.230 nan 0.000 0.450 469 I N 0.903 121.452 120.570 -0.035 0.000 2.411 469 I HA 0.140 4.322 4.170 0.020 0.000 0.284 469 I C -0.596 175.539 176.117 0.030 0.000 1.012 469 I CA -0.891 60.399 61.300 -0.017 0.000 1.119 469 I CB 1.468 39.449 38.000 -0.033 0.000 1.261 469 I HN 0.036 nan 8.210 nan 0.000 0.448 470 D N 5.194 125.577 120.400 -0.028 0.000 2.433 470 D HA -0.005 4.646 4.640 0.020 0.000 0.255 470 D C 1.343 177.517 176.300 -0.210 0.000 1.226 470 D CA -0.061 53.928 54.000 -0.019 0.000 1.015 470 D CB 0.378 41.098 40.800 -0.133 0.000 1.091 470 D HN 0.579 nan 8.370 nan 0.000 0.527 471 H N -0.533 118.389 119.070 -0.247 0.000 2.541 471 H HA -0.015 4.553 4.556 0.019 0.000 0.289 471 H C 0.842 175.846 175.328 -0.541 0.000 1.054 471 H CA 0.760 56.469 56.048 -0.564 0.000 1.250 471 H CB -0.307 29.033 29.762 -0.703 0.000 1.369 471 H HN 0.391 nan 8.280 nan 0.000 0.578 472 R N -0.800 119.363 120.500 -0.560 0.000 2.362 472 R HA 0.128 4.479 4.340 0.020 0.000 0.227 472 R C -0.334 176.066 176.300 0.167 0.000 0.905 472 R CA -0.095 55.889 56.100 -0.193 0.000 1.067 472 R CB 0.352 30.470 30.300 -0.303 0.000 1.078 472 R HN 0.100 nan 8.270 nan 0.000 0.516 473 F N -0.531 119.283 119.950 -0.226 0.000 2.795 473 F HA -0.225 4.314 4.527 0.019 0.000 0.297 473 F C -0.321 175.397 175.800 -0.136 0.000 0.699 473 F CA 0.097 58.002 58.000 -0.159 0.000 1.384 473 F CB -1.662 37.245 39.000 -0.155 0.000 1.672 473 F HN -0.040 nan 8.300 nan 0.000 0.345 474 L N 1.236 122.455 121.223 -0.007 0.000 2.292 474 L HA 0.434 4.786 4.340 0.020 0.000 0.284 474 L C 0.544 177.412 176.870 -0.004 0.000 1.065 474 L CA -1.072 53.761 54.840 -0.012 0.000 0.806 474 L CB 1.000 43.042 42.059 -0.029 0.000 1.175 474 L HN 0.031 nan 8.230 nan 0.000 0.431 475 L N 3.984 125.213 121.223 0.009 0.000 2.514 475 L HA 0.030 4.382 4.340 0.020 0.000 0.280 475 L C 0.451 177.370 176.870 0.082 0.000 1.223 475 L CA 0.625 55.487 54.840 0.037 0.000 0.864 475 L CB 0.230 42.311 42.059 0.036 0.000 1.118 475 L HN 0.578 nan 8.230 nan 0.000 0.494 476 R N 5.384 125.953 120.500 0.115 0.000 2.297 476 R HA 0.565 4.917 4.340 0.020 0.000 0.308 476 R C -0.720 175.739 176.300 0.265 0.000 1.029 476 R CA -0.539 55.659 56.100 0.164 0.000 0.929 476 R CB 0.501 30.852 30.300 0.084 0.000 1.046 476 R HN 0.865 nan 8.270 nan 0.000 0.461 477 R N 2.578 123.277 120.500 0.332 0.000 2.808 477 R HA 0.791 5.142 4.340 0.020 0.000 0.272 477 R C -0.934 175.572 176.300 0.344 0.000 0.995 477 R CA -0.391 55.914 56.100 0.341 0.000 0.917 477 R CB 1.826 32.284 30.300 0.264 0.000 1.217 477 R HN 0.811 nan 8.270 nan 0.000 0.471 478 G N 0.990 109.946 108.800 0.260 0.000 2.422 478 G HA2 -0.089 3.882 3.960 0.020 0.000 0.607 478 G HA3 -0.089 3.882 3.960 0.020 0.000 0.607 478 G C -1.406 173.500 174.900 0.009 0.000 1.270 478 G CA -0.867 44.276 45.100 0.071 0.000 0.992 478 G HN 0.571 nan 8.290 nan 0.000 0.499 479 E N -0.177 119.937 120.200 -0.144 0.000 2.338 479 E HA 0.523 4.885 4.350 0.020 0.000 0.272 479 E C -0.999 175.392 176.600 -0.349 0.000 1.029 479 E CA 0.331 56.650 56.400 -0.134 0.000 0.872 479 E CB 1.064 30.699 29.700 -0.108 0.000 1.015 479 E HN 0.401 nan 8.360 nan 0.000 0.417 480 Y N 0.092 120.373 120.300 -0.031 0.000 2.421 480 Y HA 0.306 4.868 4.550 0.020 0.000 0.339 480 Y C -0.310 175.538 175.900 -0.086 0.000 0.996 480 Y CA -0.850 57.216 58.100 -0.058 0.000 1.046 480 Y CB 1.921 40.329 38.460 -0.088 0.000 1.226 480 Y HN 0.106 nan 8.280 nan 0.000 0.445 481 V N 5.506 125.441 119.914 0.034 0.000 2.444 481 V HA 0.537 4.668 4.120 0.020 0.000 0.294 481 V C -0.712 175.336 176.094 -0.077 0.000 1.022 481 V CA -0.816 61.451 62.300 -0.055 0.000 0.850 481 V CB 1.636 33.411 31.823 -0.080 0.000 0.992 481 V HN 0.560 nan 8.190 nan 0.000 0.426 482 L N 4.495 125.621 121.223 -0.161 0.000 2.409 482 L HA 0.578 4.930 4.340 0.020 0.000 0.272 482 L C -0.395 176.315 176.870 -0.266 0.000 0.980 482 L CA -0.664 54.086 54.840 -0.151 0.000 0.826 482 L CB 1.906 43.879 42.059 -0.144 0.000 1.268 482 L HN 0.584 nan 8.230 nan 0.000 0.407 483 H N 4.106 123.065 119.070 -0.186 0.000 2.646 483 H HA 0.459 5.027 4.556 0.020 0.000 0.325 483 H C -0.483 174.594 175.328 -0.420 0.000 1.075 483 H CA -0.052 55.837 56.048 -0.264 0.000 1.421 483 H CB 1.641 31.247 29.762 -0.260 0.000 1.461 483 H HN 0.456 nan 8.280 nan 0.000 0.525 484 M N 1.935 121.359 119.600 -0.293 0.000 2.598 484 M HA 0.237 4.728 4.480 0.020 0.000 0.317 484 M C -0.592 175.485 176.300 -0.372 0.000 1.201 484 M CA -0.719 54.379 55.300 -0.336 0.000 0.971 484 M CB 1.706 34.233 32.600 -0.122 0.000 1.657 484 M HN 0.428 nan 8.290 nan 0.000 0.470 485 W N 0.740 121.869 121.300 -0.285 0.000 2.381 485 W HA 0.445 5.117 4.660 0.020 0.000 0.329 485 W C 0.249 176.677 176.519 -0.152 0.000 1.157 485 W CA -0.241 56.902 57.345 -0.336 0.000 1.240 485 W CB 0.592 29.583 29.460 -0.780 0.000 1.199 485 W HN 0.513 nan 8.180 nan 0.000 0.579 486 Q N 1.169 121.104 119.800 0.226 0.000 2.180 486 Q HA 0.469 4.821 4.340 0.020 0.000 0.241 486 Q C -0.944 175.120 176.000 0.106 0.000 0.970 486 Q CA -0.744 55.047 55.803 -0.020 0.000 0.919 486 Q CB 1.027 29.762 28.738 -0.005 0.000 1.222 486 Q HN 0.267 nan 8.270 nan 0.000 0.482 487 I N 2.240 122.790 120.570 -0.033 0.000 2.389 487 I HA 0.234 4.416 4.170 0.020 0.000 0.288 487 I C -0.022 176.109 176.117 0.023 0.000 0.999 487 I CA -0.221 61.115 61.300 0.060 0.000 1.129 487 I CB 0.977 38.997 38.000 0.034 0.000 1.288 487 I HN 0.651 nan 8.210 nan 0.000 0.444 488 S N 3.989 119.724 115.700 0.058 0.000 2.722 488 S HA 0.937 5.419 4.470 0.020 0.000 0.292 488 S C 0.313 174.935 174.600 0.036 0.000 1.135 488 S CA 0.050 58.277 58.200 0.045 0.000 1.003 488 S CB 1.884 65.120 63.200 0.061 0.000 1.067 488 S HN 1.374 nan 8.310 nan 0.000 0.546 497 F N 4.761 124.682 119.950 -0.048 0.000 2.574 497 F HA 0.525 5.063 4.527 0.018 0.000 0.313 497 F C 0.369 176.135 175.800 -0.056 0.000 1.130 497 F CA -0.913 57.044 58.000 -0.072 0.000 0.936 497 F CB 1.949 40.901 39.000 -0.079 0.000 1.219 497 F HN 0.720 nan 8.300 nan 0.000 0.445 498 N N 1.655 120.433 118.700 0.130 0.000 2.518 498 N HA 0.529 5.280 4.740 0.020 0.000 0.284 498 N C 0.391 175.928 175.510 0.044 0.000 1.230 498 N CA -0.416 52.673 53.050 0.064 0.000 0.941 498 N CB 1.918 40.405 38.487 -0.000 0.000 1.219 498 N HN 0.653 nan 8.380 nan 0.000 0.560 499 A N 0.234 123.085 122.820 0.050 0.000 2.015 499 A HA -0.133 4.198 4.320 0.020 0.000 0.219 499 A C 1.358 178.982 177.584 0.067 0.000 1.163 499 A CA 1.257 53.338 52.037 0.072 0.000 0.646 499 A CB -0.527 18.418 19.000 -0.091 0.000 0.806 499 A HN 0.763 nan 8.150 nan 0.000 0.448 500 D N 0.210 120.552 120.400 -0.096 0.000 2.182 500 D HA -0.137 4.515 4.640 0.020 0.000 0.201 500 D C 1.620 177.725 176.300 -0.326 0.000 0.986 500 D CA 0.969 54.703 54.000 -0.442 0.000 0.847 500 D CB -0.192 40.012 40.800 -0.994 0.000 0.942 500 D HN 0.339 nan 8.370 nan 0.000 0.467 501 K N 0.084 120.317 120.400 -0.278 0.000 2.442 501 K HA -0.019 4.313 4.320 0.020 0.000 0.198 501 K C 1.644 178.104 176.600 -0.234 0.000 1.044 501 K CA 0.303 56.304 56.287 -0.476 0.000 0.948 501 K CB 0.088 32.298 32.500 -0.484 0.000 0.762 501 K HN 0.280 nan 8.250 nan 0.000 0.472 502 L N -0.027 121.141 121.223 -0.092 0.000 2.640 502 L HA 0.049 4.400 4.340 0.020 0.000 0.230 502 L C 1.113 177.987 176.870 0.007 0.000 1.123 502 L CA -0.126 54.692 54.840 -0.038 0.000 0.900 502 L CB 0.477 42.551 42.059 0.025 0.000 1.146 502 L HN -0.079 nan 8.230 nan 0.000 0.484 503 T N -0.758 113.771 114.554 -0.042 0.000 2.918 503 T HA 0.027 4.389 4.350 0.020 0.000 0.302 503 T C 1.352 176.044 174.700 -0.014 0.000 1.045 503 T CA 0.280 62.271 62.100 -0.181 0.000 1.114 503 T CB 1.114 69.635 68.868 -0.577 0.000 0.965 503 T HN 0.331 nan 8.240 nan 0.000 0.540 504 S N 2.926 118.616 115.700 -0.017 0.000 2.528 504 S HA 0.299 4.781 4.470 0.020 0.000 0.219 504 S C 1.034 175.731 174.600 0.161 0.000 0.985 504 S CA -0.007 58.222 58.200 0.049 0.000 0.914 504 S CB -0.127 63.045 63.200 -0.045 0.000 0.776 504 S HN 0.935 nan 8.310 nan 0.000 0.526 505 A N 2.833 125.734 122.820 0.135 0.000 2.477 505 A HA 0.489 4.820 4.320 0.020 0.000 0.246 505 A C 0.784 178.603 177.584 0.391 0.000 1.078 505 A CA 0.021 52.186 52.037 0.214 0.000 0.770 505 A CB -0.178 18.892 19.000 0.116 0.000 1.011 505 A HN 0.579 nan 8.150 nan 0.000 0.494 506 T N 0.827 115.528 114.554 0.245 0.000 2.922 506 T HA 0.334 4.696 4.350 0.020 0.000 0.285 506 T C 0.252 174.755 174.700 -0.328 0.000 1.005 506 T CA -0.913 61.192 62.100 0.009 0.000 1.061 506 T CB 0.634 69.534 68.868 0.055 0.000 1.007 506 T HN 0.609 nan 8.240 nan 0.000 0.502 507 N N 2.940 121.009 118.700 -1.052 0.000 2.412 507 N HA 0.094 4.845 4.740 0.020 0.000 0.258 507 N C -1.232 173.970 175.510 -0.513 0.000 1.236 507 N CA -1.945 50.295 53.050 -1.349 0.000 0.882 507 N CB 1.042 38.740 38.487 -1.315 0.000 1.066 507 N HN 0.435 nan 8.380 nan 0.000 0.465 508 P HA -0.038 nan 4.420 nan 0.000 0.221 508 P C -0.115 177.064 177.300 -0.203 0.000 1.155 508 P CA 0.568 63.576 63.100 -0.153 0.000 0.812 508 P CB 0.204 31.893 31.700 -0.018 0.000 0.801 509 D N 0.594 120.869 120.400 -0.209 0.000 2.344 509 D HA 0.043 4.695 4.640 0.020 0.000 0.253 509 D C 0.967 177.108 176.300 -0.266 0.000 1.255 509 D CA 0.195 54.089 54.000 -0.177 0.000 0.894 509 D CB 0.644 41.383 40.800 -0.102 0.000 1.067 509 D HN -0.001 nan 8.370 nan 0.000 0.492 510 K N 2.506 122.714 120.400 -0.320 0.000 2.214 510 K HA 0.023 4.355 4.320 0.020 0.000 0.201 510 K C 1.559 178.044 176.600 -0.191 0.000 1.049 510 K CA 0.162 56.150 56.287 -0.498 0.000 0.978 510 K CB 0.374 32.489 32.500 -0.642 0.000 0.842 510 K HN 0.409 nan 8.250 nan 0.000 0.474 511 E N 1.152 121.279 120.200 -0.123 0.000 2.219 511 E HA -0.183 4.179 4.350 0.020 0.000 0.198 511 E C 1.416 177.998 176.600 -0.030 0.000 0.998 511 E CA 0.988 57.355 56.400 -0.056 0.000 0.818 511 E CB -0.039 29.635 29.700 -0.045 0.000 0.741 511 E HN 0.294 nan 8.360 nan 0.000 0.477 512 N N 0.193 118.872 118.700 -0.035 0.000 2.510 512 N HA -0.020 4.732 4.740 0.020 0.000 0.186 512 N C 0.528 176.041 175.510 0.006 0.000 1.051 512 N CA 0.328 53.375 53.050 -0.006 0.000 0.877 512 N CB 0.532 39.020 38.487 0.003 0.000 1.183 512 N HN 0.009 nan 8.380 nan 0.000 0.443 513 S N 1.280 116.978 115.700 -0.003 0.000 2.523 513 S HA 0.285 4.767 4.470 0.020 0.000 0.275 513 S C 0.376 174.944 174.600 -0.052 0.000 1.281 513 S CA -0.654 57.544 58.200 -0.003 0.000 1.050 513 S CB 1.215 64.390 63.200 -0.042 0.000 0.937 513 S HN 0.151 nan 8.310 nan 0.000 0.492 514 M N 3.489 122.938 119.600 -0.252 0.000 2.234 514 M HA 0.188 4.679 4.480 0.020 0.000 0.326 514 M C 0.071 176.189 176.300 -0.303 0.000 1.077 514 M CA 1.059 56.087 55.300 -0.454 0.000 1.052 514 M CB 0.238 32.100 32.600 -1.230 0.000 1.607 514 M HN 0.867 nan 8.290 nan 0.000 0.445 515 S N 4.207 119.734 115.700 -0.288 0.000 2.549 515 S HA 0.813 5.295 4.470 0.020 0.000 0.280 515 S C -1.320 173.137 174.600 -0.238 0.000 1.109 515 S CA -0.986 57.004 58.200 -0.349 0.000 0.905 515 S CB 1.067 63.975 63.200 -0.487 0.000 1.081 515 S HN 0.791 nan 8.310 nan 0.000 0.477 516 I N 2.289 122.729 120.570 -0.215 0.000 2.785 516 I HA 0.754 4.935 4.170 0.020 0.000 0.302 516 I C -1.181 174.868 176.117 -0.113 0.000 1.069 516 I CA -0.091 61.134 61.300 -0.125 0.000 1.045 516 I CB 2.311 40.253 38.000 -0.097 0.000 1.236 516 I HN 0.605 nan 8.210 nan 0.000 0.429 517 S N 7.125 122.785 115.700 -0.066 0.000 2.614 517 S HA 0.732 5.214 4.470 0.020 0.000 0.288 517 S C -0.732 173.842 174.600 -0.043 0.000 1.137 517 S CA -0.564 57.604 58.200 -0.053 0.000 0.992 517 S CB 1.297 64.465 63.200 -0.054 0.000 1.026 517 S HN 0.609 nan 8.310 nan 0.000 0.486 518 I N -0.205 120.352 120.570 -0.022 0.000 3.174 518 I HA 0.816 4.998 4.170 0.020 0.000 0.313 518 I C -1.904 174.203 176.117 -0.016 0.000 1.155 518 I CA -1.430 59.847 61.300 -0.038 0.000 0.977 518 I CB 1.888 39.886 38.000 -0.003 0.000 1.248 518 I HN 0.520 nan 8.210 nan 0.000 0.453 519 L N 3.532 124.702 121.223 -0.087 0.000 2.410 519 L HA 0.615 4.967 4.340 0.020 0.000 0.270 519 L C -1.714 175.199 176.870 0.072 0.000 0.983 519 L CA -0.519 54.305 54.840 -0.026 0.000 0.822 519 L CB 1.912 43.880 42.059 -0.152 0.000 1.285 519 L HN 0.494 nan 8.230 nan 0.000 0.409 520 L N 4.123 125.482 121.223 0.226 0.000 2.307 520 L HA 0.428 4.780 4.340 0.020 0.000 0.284 520 L C 0.018 177.077 176.870 0.316 0.000 1.023 520 L CA -0.379 54.633 54.840 0.286 0.000 0.810 520 L CB 1.162 43.411 42.059 0.317 0.000 1.231 520 L HN 0.655 nan 8.230 nan 0.000 0.423 521 D N 2.274 122.863 120.400 0.314 0.000 2.515 521 D HA -0.134 4.518 4.640 0.020 0.000 0.230 521 D C 0.644 177.075 176.300 0.219 0.000 1.181 521 D CA 0.912 54.990 54.000 0.130 0.000 0.875 521 D CB 0.735 41.442 40.800 -0.156 0.000 1.213 521 D HN 0.416 nan 8.370 nan 0.000 0.478 522 N N 1.226 119.953 118.700 0.045 0.000 2.545 522 N HA -0.053 4.699 4.740 0.020 0.000 0.283 522 N C -1.056 174.569 175.510 0.193 0.000 1.596 522 N CA -0.391 52.778 53.050 0.200 0.000 0.862 522 N CB -0.119 38.447 38.487 0.130 0.000 1.422 522 N HN 0.158 nan 8.380 nan 0.000 0.489 523 Y N 0.088 120.375 120.300 -0.022 0.000 3.012 523 Y HA -0.208 4.354 4.550 0.019 0.000 0.348 523 Y C 2.491 178.472 175.900 0.134 0.000 1.280 523 Y CA -0.691 57.397 58.100 -0.019 0.000 1.492 523 Y CB -0.965 37.274 38.460 -0.368 0.000 1.315 523 Y HN 0.171 nan 8.280 nan 0.000 0.651 524 C N -0.778 118.748 119.300 0.376 0.000 2.249 524 C HA -0.326 4.145 4.460 0.020 0.000 0.245 524 C C 1.072 176.196 174.990 0.223 0.000 1.051 524 C CA 1.967 61.144 59.018 0.266 0.000 1.843 524 C CB -1.907 25.962 27.740 0.216 0.000 1.906 524 C HN 1.051 nan 8.230 nan 0.000 0.399 525 H N -0.961 118.156 119.070 0.078 0.000 6.284 525 H HA 0.187 4.755 4.556 0.019 0.000 0.891 525 H C -3.002 172.322 175.328 -0.008 0.000 1.981 525 H CA -0.874 55.205 56.048 0.052 0.000 1.405 525 H CB 0.066 29.906 29.762 0.129 0.000 4.675 525 H HN 0.319 nan 8.280 nan 0.000 0.692 526 P HA 0.147 nan 4.420 nan 0.000 0.270 526 P C -0.158 177.171 177.300 0.048 0.000 1.242 526 P CA 0.172 63.309 63.100 0.063 0.000 0.768 526 P CB 0.862 32.572 31.700 0.017 0.000 0.820 527 I N 3.052 123.639 120.570 0.028 0.000 2.347 527 I HA 0.361 4.543 4.170 0.020 0.000 0.283 527 I C 0.570 176.661 176.117 -0.043 0.000 1.058 527 I CA -0.710 60.581 61.300 -0.016 0.000 1.202 527 I CB 1.115 39.063 38.000 -0.088 0.000 1.386 527 I HN 0.282 nan 8.210 nan 0.000 0.475 528 A N 6.413 129.192 122.820 -0.069 0.000 2.289 528 A HA 0.528 4.860 4.320 0.020 0.000 0.298 528 A C -0.403 177.087 177.584 -0.157 0.000 1.208 528 A CA -0.588 51.402 52.037 -0.078 0.000 0.845 528 A CB 0.735 19.681 19.000 -0.091 0.000 1.125 528 A HN 0.670 nan 8.150 nan 0.000 0.517 529 L N 5.438 126.601 121.223 -0.101 0.000 2.584 529 L HA 0.187 4.539 4.340 0.020 0.000 0.272 529 L C -1.704 174.940 176.870 -0.376 0.000 1.195 529 L CA -0.673 54.035 54.840 -0.220 0.000 0.920 529 L CB -0.042 42.036 42.059 0.031 0.000 1.173 529 L HN 0.516 nan 8.230 nan 0.000 0.489 530 P HA -0.126 nan 4.420 nan 0.000 0.203 530 P C -0.825 176.157 177.300 -0.529 0.000 0.967 530 P CA 0.769 63.400 63.100 -0.781 0.000 0.946 530 P CB 0.029 30.913 31.700 -1.360 0.000 0.690 545 A N 0.654 123.495 122.820 0.035 0.000 3.837 545 A HA 0.645 4.976 4.320 0.020 0.000 0.159 545 A C -0.311 177.317 177.584 0.073 0.000 1.157 545 A CA -0.295 51.765 52.037 0.038 0.000 0.890 545 A CB 0.581 19.602 19.000 0.036 0.000 1.553 545 A HN 0.142 nan 8.150 nan 0.000 0.642 546 E N -0.825 119.420 120.200 0.074 0.000 2.622 546 E HA 0.602 4.964 4.350 0.020 0.000 0.255 546 E C -0.179 176.485 176.600 0.107 0.000 1.313 546 E CA -0.013 56.426 56.400 0.065 0.000 1.011 546 E CB 0.608 30.333 29.700 0.042 0.000 1.173 546 E HN 0.640 nan 8.360 nan 0.000 0.601 547 M N -0.932 118.686 119.600 0.030 0.000 2.471 547 M HA 0.494 4.986 4.480 0.020 0.000 0.284 547 M C -2.391 173.879 176.300 -0.050 0.000 1.203 547 M CA -1.451 53.842 55.300 -0.011 0.000 0.915 547 M CB 1.535 33.947 32.600 -0.313 0.000 1.734 547 M HN 0.214 nan 8.290 nan 0.000 0.485 548 P HA 0.101 nan 4.420 nan 0.000 0.215 548 P C -0.259 177.007 177.300 -0.057 0.000 1.165 548 P CA 1.333 64.418 63.100 -0.025 0.000 0.840 548 P CB 0.073 31.770 31.700 -0.005 0.000 0.556 549 N N -5.102 113.562 118.700 -0.060 0.000 2.223 549 N HA -0.081 4.671 4.740 0.020 0.000 0.309 549 N C 1.334 176.809 175.510 -0.059 0.000 0.844 549 N CA -0.012 53.001 53.050 -0.060 0.000 0.672 549 N CB -0.749 37.715 38.487 -0.038 0.000 2.157 549 N HN -0.034 nan 8.380 nan 0.000 0.984 550 Q N 1.439 121.213 119.800 -0.044 0.000 2.135 550 Q HA 0.026 4.378 4.340 0.020 0.000 0.204 550 Q C 1.555 177.523 176.000 -0.053 0.000 0.981 550 Q CA 1.665 57.446 55.803 -0.038 0.000 0.856 550 Q CB -0.314 28.412 28.738 -0.021 0.000 0.902 550 Q HN 0.554 nan 8.270 nan 0.000 0.425 551 L N -0.392 120.788 121.223 -0.071 0.000 2.027 551 L HA -0.120 4.232 4.340 0.020 0.000 0.206 551 L C 2.713 179.471 176.870 -0.186 0.000 1.074 551 L CA 1.637 56.411 54.840 -0.111 0.000 0.745 551 L CB -0.500 41.471 42.059 -0.145 0.000 0.898 551 L HN 0.230 nan 8.230 nan 0.000 0.433 552 R N 0.402 120.775 120.500 -0.211 0.000 2.091 552 R HA -0.172 4.180 4.340 0.020 0.000 0.238 552 R C 2.242 178.457 176.300 -0.143 0.000 1.136 552 R CA 1.365 57.339 56.100 -0.210 0.000 0.959 552 R CB 0.045 30.247 30.300 -0.163 0.000 0.856 552 R HN 0.116 nan 8.270 nan 0.000 0.437 553 K N 0.348 120.687 120.400 -0.102 0.000 2.288 553 K HA -0.148 4.183 4.320 0.020 0.000 0.201 553 K C 1.881 178.440 176.600 -0.068 0.000 1.048 553 K CA 1.081 57.323 56.287 -0.076 0.000 0.956 553 K CB -0.072 32.394 32.500 -0.055 0.000 0.746 553 K HN 0.459 nan 8.250 nan 0.000 0.461 554 Q N 0.416 120.176 119.800 -0.067 0.000 2.137 554 Q HA -0.062 4.290 4.340 0.020 0.000 0.198 554 Q C 2.009 177.981 176.000 -0.047 0.000 0.960 554 Q CA 0.573 56.350 55.803 -0.044 0.000 0.847 554 Q CB 0.097 28.820 28.738 -0.026 0.000 0.915 554 Q HN 0.112 nan 8.270 nan 0.000 0.448 555 L N 1.081 122.257 121.223 -0.078 0.000 2.056 555 L HA -0.119 4.233 4.340 0.020 0.000 0.207 555 L C 1.862 178.673 176.870 -0.099 0.000 1.078 555 L CA 1.788 56.579 54.840 -0.081 0.000 0.749 555 L CB -0.209 41.767 42.059 -0.138 0.000 0.901 555 L HN 0.193 nan 8.230 nan 0.000 0.433 556 E N -0.508 119.620 120.200 -0.120 0.000 2.085 556 E HA -0.250 4.112 4.350 0.020 0.000 0.194 556 E C 2.171 178.721 176.600 -0.082 0.000 0.994 556 E CA 1.173 57.498 56.400 -0.126 0.000 0.801 556 E CB -0.332 29.301 29.700 -0.112 0.000 0.743 556 E HN 0.635 nan 8.360 nan 0.000 0.453 557 A N 0.972 123.756 122.820 -0.060 0.000 1.978 557 A HA -0.193 4.139 4.320 0.020 0.000 0.220 557 A C 2.126 179.693 177.584 -0.029 0.000 1.170 557 A CA 1.187 53.200 52.037 -0.040 0.000 0.636 557 A CB -0.538 18.443 19.000 -0.031 0.000 0.810 557 A HN 0.164 nan 8.150 nan 0.000 0.448 558 I N -0.633 119.920 120.570 -0.028 0.000 2.286 558 I HA -0.176 4.006 4.170 0.020 0.000 0.245 558 I C 2.184 178.297 176.117 -0.007 0.000 1.104 558 I CA 0.947 62.242 61.300 -0.009 0.000 1.397 558 I CB -0.224 37.777 38.000 0.003 0.000 1.072 558 I HN 0.278 nan 8.210 nan 0.000 0.417 559 I N 0.782 121.333 120.570 -0.032 0.000 2.286 559 I HA -0.272 3.909 4.170 0.020 0.000 0.248 559 I C 2.732 178.844 176.117 -0.008 0.000 1.115 559 I CA 1.261 62.547 61.300 -0.023 0.000 1.392 559 I CB -0.402 37.545 38.000 -0.088 0.000 1.065 559 I HN 0.192 nan 8.210 nan 0.000 0.418 560 A N -0.295 122.511 122.820 -0.024 0.000 1.872 560 A HA -0.101 4.231 4.320 0.020 0.000 0.214 560 A C 1.621 179.201 177.584 -0.008 0.000 1.187 560 A CA 1.059 53.085 52.037 -0.019 0.000 0.614 560 A CB -0.783 18.199 19.000 -0.031 0.000 0.826 560 A HN 0.350 nan 8.150 nan 0.000 0.442 561 T N 1.280 115.831 114.554 -0.006 0.000 2.856 561 T HA 0.076 4.438 4.350 0.020 0.000 0.327 561 T C 0.211 174.918 174.700 0.011 0.000 1.061 561 T CA 0.791 62.891 62.100 -0.000 0.000 1.131 561 T CB -0.343 68.528 68.868 0.004 0.000 1.083 561 T HN 0.646 nan 8.240 nan 0.000 0.518 562 D N 3.861 124.265 120.400 0.007 0.000 2.398 562 D HA 0.310 4.962 4.640 0.020 0.000 0.247 562 D C -1.712 174.607 176.300 0.032 0.000 1.227 562 D CA -1.425 52.582 54.000 0.013 0.000 0.980 562 D CB 0.122 40.920 40.800 -0.003 0.000 1.106 562 D HN 0.194 nan 8.370 nan 0.000 0.493 563 P HA -0.067 nan 4.420 nan 0.000 0.216 563 P C 1.205 178.539 177.300 0.057 0.000 1.150 563 P CA 1.043 64.183 63.100 0.065 0.000 0.837 563 P CB 0.096 31.839 31.700 0.071 0.000 0.786 564 L N -1.882 119.367 121.223 0.042 0.000 2.492 564 L HA 0.037 4.388 4.340 0.020 0.000 0.223 564 L C 1.005 177.891 176.870 0.026 0.000 1.132 564 L CA -0.068 54.794 54.840 0.037 0.000 0.850 564 L CB -0.793 41.289 42.059 0.039 0.000 0.966 564 L HN -0.022 nan 8.230 nan 0.000 0.454 565 N N 1.163 119.876 118.700 0.022 0.000 2.452 565 N HA 0.097 4.849 4.740 0.020 0.000 0.266 565 N C -2.374 173.150 175.510 0.022 0.000 1.209 565 N CA -1.007 52.053 53.050 0.016 0.000 0.929 565 N CB 0.772 39.265 38.487 0.010 0.000 1.063 565 N HN -0.137 nan 8.380 nan 0.000 0.472 566 P HA 0.149 nan 4.420 nan 0.000 0.274 566 P C -0.898 176.415 177.300 0.022 0.000 1.231 566 P CA -0.143 62.968 63.100 0.020 0.000 0.790 566 P CB 0.731 32.440 31.700 0.014 0.000 0.951 567 L N 1.366 122.605 121.223 0.027 0.000 2.272 567 L HA 0.331 4.682 4.340 0.020 0.000 0.289 567 L C 1.103 177.986 176.870 0.022 0.000 1.032 567 L CA -0.491 54.366 54.840 0.029 0.000 0.810 567 L CB 1.284 43.367 42.059 0.041 0.000 1.205 567 L HN 0.370 nan 8.230 nan 0.000 0.422 568 T N 1.740 116.305 114.554 0.019 0.000 2.856 568 T HA 0.183 4.544 4.350 0.020 0.000 0.306 568 T C 1.397 176.106 174.700 0.015 0.000 1.062 568 T CA 0.280 62.389 62.100 0.014 0.000 1.083 568 T CB 1.217 70.092 68.868 0.012 0.000 0.984 568 T HN 0.724 nan 8.240 nan 0.000 0.542 569 A N 2.518 125.343 122.820 0.008 0.000 1.927 569 A HA -0.126 4.206 4.320 0.020 0.000 0.220 569 A C 2.279 179.869 177.584 0.010 0.000 1.185 569 A CA 2.017 54.056 52.037 0.003 0.000 0.639 569 A CB -0.901 18.097 19.000 -0.004 0.000 0.820 569 A HN 0.937 nan 8.150 nan 0.000 0.451 570 E N 0.164 120.371 120.200 0.012 0.000 2.077 570 E HA -0.208 4.154 4.350 0.020 0.000 0.193 570 E C 1.413 178.033 176.600 0.033 0.000 0.989 570 E CA 1.553 57.964 56.400 0.018 0.000 0.800 570 E CB -0.306 29.402 29.700 0.013 0.000 0.746 570 E HN 0.588 nan 8.360 nan 0.000 0.452 571 D N 0.418 120.838 120.400 0.033 0.000 2.144 571 D HA -0.128 4.523 4.640 0.020 0.000 0.199 571 D C 1.933 178.270 176.300 0.061 0.000 0.984 571 D CA 0.990 55.017 54.000 0.045 0.000 0.834 571 D CB -0.098 40.724 40.800 0.036 0.000 0.955 571 D HN 0.189 nan 8.370 nan 0.000 0.465 572 K N 0.575 121.006 120.400 0.051 0.000 2.057 572 K HA -0.052 4.279 4.320 0.020 0.000 0.206 572 K C 2.056 178.712 176.600 0.094 0.000 1.050 572 K CA 0.733 57.057 56.287 0.061 0.000 0.935 572 K CB 0.044 32.561 32.500 0.028 0.000 0.715 572 K HN 0.176 nan 8.250 nan 0.000 0.439 573 E N 0.735 120.979 120.200 0.073 0.000 2.204 573 E HA -0.143 4.219 4.350 0.020 0.000 0.194 573 E C 1.894 178.572 176.600 0.130 0.000 0.989 573 E CA 0.463 56.921 56.400 0.096 0.000 0.824 573 E CB 0.082 29.803 29.700 0.036 0.000 0.756 573 E HN 0.169 nan 8.360 nan 0.000 0.477 574 L N 0.953 122.251 121.223 0.124 0.000 2.072 574 L HA -0.121 4.231 4.340 0.020 0.000 0.205 574 L C 2.109 179.119 176.870 0.233 0.000 1.079 574 L CA 1.130 56.087 54.840 0.194 0.000 0.752 574 L CB -0.477 41.688 42.059 0.176 0.000 0.906 574 L HN 0.218 nan 8.230 nan 0.000 0.436 575 L N -1.098 120.219 121.223 0.157 0.000 2.083 575 L HA -0.283 4.069 4.340 0.020 0.000 0.209 575 L C 2.404 179.311 176.870 0.062 0.000 1.083 575 L CA 1.719 56.623 54.840 0.106 0.000 0.752 575 L CB -1.368 40.734 42.059 0.072 0.000 0.899 575 L HN 0.555 nan 8.230 nan 0.000 0.433 576 W N 0.276 121.532 121.300 -0.074 0.000 2.408 576 W HA -0.221 4.445 4.660 0.010 0.000 0.311 576 W C 2.639 179.052 176.519 -0.176 0.000 1.190 576 W CA 1.462 58.718 57.345 -0.148 0.000 1.321 576 W CB -0.540 28.838 29.460 -0.137 0.000 1.143 576 W HN 0.320 nan 8.180 nan 0.000 0.501 577 H N -0.361 118.533 119.070 -0.294 0.000 2.319 577 H HA -0.210 4.365 4.556 0.033 0.000 0.297 577 H C 0.688 175.595 175.328 -0.703 0.000 1.097 577 H CA 1.989 57.707 56.048 -0.550 0.000 1.285 577 H CB -0.837 28.576 29.762 -0.582 0.000 1.368 577 H HN 0.046 nan 8.280 nan 0.000 0.495 578 F N 1.812 121.661 119.950 -0.167 0.000 2.898 578 F HA 0.163 4.677 4.527 -0.021 0.000 0.290 578 F C 1.968 177.602 175.800 -0.277 0.000 1.195 578 F CA -0.480 57.404 58.000 -0.193 0.000 1.387 578 F CB 0.082 39.052 39.000 -0.050 0.000 0.976 578 F HN 0.161 nan 8.300 nan 0.000 0.510 579 R N -0.642 119.602 120.500 -0.427 0.000 2.083 579 R HA -0.233 4.119 4.340 0.020 0.000 0.237 579 R C 1.268 177.314 176.300 -0.423 0.000 1.137 579 R CA 1.843 57.618 56.100 -0.541 0.000 0.951 579 R CB -1.230 28.483 30.300 -0.978 0.000 0.851 579 R HN 0.338 nan 8.270 nan 0.000 0.434 580 Y N 1.235 121.398 120.300 -0.229 0.000 2.165 580 Y HA -0.206 4.355 4.550 0.019 0.000 0.286 580 Y C 2.526 178.398 175.900 -0.047 0.000 1.155 580 Y CA 1.356 59.373 58.100 -0.138 0.000 1.164 580 Y CB -0.106 38.276 38.460 -0.130 0.000 0.978 580 Y HN 0.192 nan 8.280 nan 0.000 0.513 581 E N -0.231 120.054 120.200 0.143 0.000 2.347 581 E HA -0.098 4.264 4.350 0.020 0.000 0.196 581 E C 1.919 178.618 176.600 0.166 0.000 1.008 581 E CA 0.912 57.397 56.400 0.141 0.000 0.852 581 E CB -0.099 29.672 29.700 0.119 0.000 0.783 581 E HN 0.157 nan 8.360 nan 0.000 0.505 582 S N -0.432 115.316 115.700 0.080 0.000 2.478 582 S HA 0.036 4.517 4.470 0.020 0.000 0.222 582 S C 1.325 175.975 174.600 0.082 0.000 1.008 582 S CA 0.020 58.261 58.200 0.069 0.000 0.928 582 S CB -0.022 63.136 63.200 -0.069 0.000 0.781 582 S HN 0.219 nan 8.310 nan 0.000 0.518 583 L N 1.969 123.205 121.223 0.022 0.000 2.376 583 L HA 0.141 4.493 4.340 0.020 0.000 0.219 583 L C 1.573 178.596 176.870 0.255 0.000 1.133 583 L CA 1.440 56.306 54.840 0.043 0.000 0.816 583 L CB -0.329 41.742 42.059 0.020 0.000 0.933 583 L HN 0.102 nan 8.230 nan 0.000 0.449 584 K N -1.293 119.198 120.400 0.152 0.000 2.432 584 K HA 0.040 4.371 4.320 0.020 0.000 0.196 584 K C -0.178 176.312 176.600 -0.183 0.000 1.038 584 K CA 0.442 56.706 56.287 -0.038 0.000 0.986 584 K CB -0.054 32.325 32.500 -0.201 0.000 0.782 584 K HN 0.386 nan 8.250 nan 0.000 0.485 585 H N 0.225 119.423 119.070 0.213 0.000 2.792 585 H HA 0.129 4.700 4.556 0.024 0.000 0.298 585 H C -2.196 173.300 175.328 0.279 0.000 1.042 585 H CA -2.120 54.033 56.048 0.174 0.000 1.300 585 H CB 1.621 31.451 29.762 0.113 0.000 1.431 585 H HN -0.110 nan 8.280 nan 0.000 0.496 586 P HA -0.157 nan 4.420 nan 0.000 0.218 586 P C 1.673 179.099 177.300 0.211 0.000 1.148 586 P CA 1.093 64.194 63.100 0.001 0.000 0.822 586 P CB 0.489 32.069 31.700 -0.199 0.000 0.784 587 K N -0.236 120.270 120.400 0.177 0.000 2.228 587 K HA -0.163 4.168 4.320 0.020 0.000 0.205 587 K C 1.818 178.551 176.600 0.222 0.000 1.045 587 K CA 1.595 57.979 56.287 0.161 0.000 0.931 587 K CB -0.611 31.955 32.500 0.110 0.000 0.727 587 K HN 0.048 nan 8.250 nan 0.000 0.458 588 A N -1.040 121.971 122.820 0.318 0.000 2.218 588 A HA 0.018 4.349 4.320 0.020 0.000 0.209 588 A C 1.262 179.005 177.584 0.265 0.000 1.168 588 A CA 0.222 52.406 52.037 0.244 0.000 0.804 588 A CB -0.302 18.807 19.000 0.182 0.000 0.834 588 A HN 0.247 nan 8.150 nan 0.000 0.482 589 Y N 0.601 120.964 120.300 0.105 0.000 2.200 589 Y HA -0.051 4.511 4.550 0.020 0.000 0.290 589 Y C -0.380 175.592 175.900 0.120 0.000 1.137 589 Y CA 1.373 59.501 58.100 0.047 0.000 1.163 589 Y CB -1.713 36.808 38.460 0.103 0.000 0.988 589 Y HN 0.281 nan 8.280 nan 0.000 0.518 590 P HA -0.169 nan 4.420 nan 0.000 0.215 590 P C 1.234 178.768 177.300 0.390 0.000 1.153 590 P CA 2.196 65.480 63.100 0.306 0.000 0.853 590 P CB 0.021 31.884 31.700 0.273 0.000 0.788 591 K N -1.373 119.170 120.400 0.238 0.000 2.167 591 K HA -0.031 4.301 4.320 0.020 0.000 0.203 591 K C 1.906 178.579 176.600 0.122 0.000 1.052 591 K CA 0.524 56.918 56.287 0.179 0.000 0.956 591 K CB -0.623 31.947 32.500 0.117 0.000 0.735 591 K HN 0.029 nan 8.250 nan 0.000 0.451 592 L N 0.316 121.543 121.223 0.006 0.000 2.005 592 L HA -0.039 4.313 4.340 0.020 0.000 0.207 592 L C 1.538 178.337 176.870 -0.118 0.000 1.072 592 L CA 1.721 56.460 54.840 -0.168 0.000 0.744 592 L CB -0.455 41.307 42.059 -0.494 0.000 0.895 592 L HN 0.056 nan 8.230 nan 0.000 0.433 593 F N -0.816 119.245 119.950 0.185 0.000 2.699 593 F HA -0.028 4.514 4.527 0.025 0.000 0.298 593 F C 2.093 178.209 175.800 0.526 0.000 1.154 593 F CA 0.671 58.874 58.000 0.338 0.000 1.457 593 F CB -0.248 38.950 39.000 0.331 0.000 1.106 593 F HN 0.068 nan 8.300 nan 0.000 0.585 594 S N -1.469 114.543 115.700 0.519 0.000 2.556 594 S HA -0.004 4.478 4.470 0.020 0.000 0.216 594 S C 1.694 176.398 174.600 0.173 0.000 0.970 594 S CA 0.194 58.596 58.200 0.337 0.000 0.912 594 S CB 0.051 63.388 63.200 0.229 0.000 0.790 594 S HN 0.134 nan 8.310 nan 0.000 0.504 595 S N 1.135 116.908 115.700 0.123 0.000 2.575 595 S HA 0.193 4.675 4.470 0.020 0.000 0.215 595 S C 0.445 174.963 174.600 -0.136 0.000 0.966 595 S CA -0.076 58.143 58.200 0.032 0.000 0.911 595 S CB 0.246 63.501 63.200 0.092 0.000 0.780 595 S HN 0.177 nan 8.310 nan 0.000 0.514 596 V N 3.109 122.907 119.914 -0.193 0.000 2.461 596 V HA 0.170 4.301 4.120 0.020 0.000 0.275 596 V C 0.128 175.863 176.094 -0.599 0.000 1.047 596 V CA -0.495 61.433 62.300 -0.620 0.000 0.955 596 V CB 1.068 32.342 31.823 -0.915 0.000 0.988 596 V HN 0.240 nan 8.190 nan 0.000 0.471 597 K N 5.184 125.211 120.400 -0.623 0.000 2.220 597 K HA 0.107 4.438 4.320 0.020 0.000 0.283 597 K C 0.043 176.397 176.600 -0.411 0.000 1.098 597 K CA 0.111 56.165 56.287 -0.388 0.000 0.928 597 K CB 0.377 32.670 32.500 -0.344 0.000 1.214 597 K HN 0.682 nan 8.250 nan 0.000 0.442 598 W N 1.275 122.478 121.300 -0.163 0.000 2.595 598 W HA 0.008 4.681 4.660 0.022 0.000 0.257 598 W C 1.861 178.233 176.519 -0.246 0.000 1.267 598 W CA 0.072 57.283 57.345 -0.224 0.000 1.300 598 W CB 0.255 29.521 29.460 -0.324 0.000 1.120 598 W HN 0.712 nan 8.180 nan 0.000 0.618 599 G N -0.139 108.646 108.800 -0.026 0.000 3.061 599 G HA2 -0.024 3.948 3.960 0.020 0.000 0.208 599 G HA3 -0.024 3.948 3.960 0.020 0.000 0.208 599 G C 0.328 175.172 174.900 -0.094 0.000 1.175 599 G CA -0.106 44.958 45.100 -0.060 0.000 0.812 599 G HN 0.175 nan 8.290 nan 0.000 0.523 600 Q N -0.377 119.338 119.800 -0.142 0.000 2.347 600 Q HA 0.198 4.550 4.340 0.020 0.000 0.265 600 Q C 0.825 176.709 176.000 -0.193 0.000 1.024 600 Q CA -0.562 55.142 55.803 -0.165 0.000 0.731 600 Q CB 1.863 30.482 28.738 -0.198 0.000 1.245 600 Q HN 0.256 nan 8.270 nan 0.000 0.472 601 Q N 2.211 121.895 119.800 -0.192 0.000 2.082 601 Q HA -0.309 4.043 4.340 0.020 0.000 0.211 601 Q C 1.324 177.138 176.000 -0.309 0.000 1.002 601 Q CA 2.190 57.821 55.803 -0.287 0.000 0.868 601 Q CB 0.153 28.655 28.738 -0.393 0.000 0.931 601 Q HN 0.599 nan 8.270 nan 0.000 0.414 602 E N -0.499 119.550 120.200 -0.252 0.000 2.106 602 E HA -0.114 4.248 4.350 0.020 0.000 0.192 602 E C 1.941 178.452 176.600 -0.148 0.000 0.984 602 E CA 0.991 57.270 56.400 -0.203 0.000 0.806 602 E CB -0.038 29.573 29.700 -0.148 0.000 0.750 602 E HN 0.465 nan 8.360 nan 0.000 0.458 603 I N 0.701 121.153 120.570 -0.196 0.000 2.142 603 I HA -0.223 3.959 4.170 0.020 0.000 0.240 603 I C 2.551 178.547 176.117 -0.200 0.000 1.078 603 I CA 0.769 61.917 61.300 -0.252 0.000 1.343 603 I CB -1.309 36.381 38.000 -0.516 0.000 1.046 603 I HN -0.046 nan 8.210 nan 0.000 0.405 604 V N 1.512 121.285 119.914 -0.234 0.000 2.392 604 V HA -0.266 3.866 4.120 0.020 0.000 0.249 604 V C 2.827 178.927 176.094 0.010 0.000 1.059 604 V CA 1.749 63.976 62.300 -0.121 0.000 1.051 604 V CB -1.241 30.551 31.823 -0.052 0.000 0.658 604 V HN 0.462 nan 8.190 nan 0.000 0.455 605 A N -0.313 122.444 122.820 -0.106 0.000 1.933 605 A HA -0.228 4.104 4.320 0.020 0.000 0.218 605 A C 2.311 179.943 177.584 0.080 0.000 1.175 605 A CA 1.940 53.927 52.037 -0.083 0.000 0.628 605 A CB -0.390 18.489 19.000 -0.202 0.000 0.814 605 A HN 0.545 nan 8.150 nan 0.000 0.444 606 K N -0.909 119.549 120.400 0.098 0.000 2.155 606 K HA -0.046 4.286 4.320 0.020 0.000 0.203 606 K C 1.952 178.685 176.600 0.222 0.000 1.052 606 K CA 1.536 57.920 56.287 0.162 0.000 0.948 606 K CB -0.217 32.422 32.500 0.231 0.000 0.728 606 K HN 0.468 nan 8.250 nan 0.000 0.448 607 T N 0.222 114.954 114.554 0.295 0.000 2.867 607 T HA -0.127 4.235 4.350 0.020 0.000 0.268 607 T C 1.474 176.370 174.700 0.326 0.000 1.057 607 T CA 1.133 63.425 62.100 0.321 0.000 1.136 607 T CB -0.272 68.731 68.868 0.225 0.000 0.874 607 T HN 0.263 nan 8.240 nan 0.000 0.466 608 Y N 1.454 121.837 120.300 0.137 0.000 2.314 608 Y HA -0.093 4.468 4.550 0.018 0.000 0.293 608 Y C 2.899 178.866 175.900 0.112 0.000 1.129 608 Y CA 0.621 58.800 58.100 0.133 0.000 1.201 608 Y CB -0.179 38.361 38.460 0.133 0.000 0.999 608 Y HN 0.225 nan 8.280 nan 0.000 0.541 609 Q N 0.107 120.050 119.800 0.238 0.000 2.096 609 Q HA -0.229 4.123 4.340 0.020 0.000 0.204 609 Q C 2.301 178.389 176.000 0.148 0.000 0.982 609 Q CA 1.411 57.313 55.803 0.166 0.000 0.850 609 Q CB -0.274 28.552 28.738 0.147 0.000 0.901 609 Q HN 0.540 nan 8.270 nan 0.000 0.422 610 L N 0.387 121.683 121.223 0.122 0.000 2.043 610 L HA -0.235 4.117 4.340 0.020 0.000 0.212 610 L C 2.168 179.095 176.870 0.096 0.000 1.075 610 L CA 1.171 56.056 54.840 0.075 0.000 0.752 610 L CB -0.270 41.781 42.059 -0.013 0.000 0.891 610 L HN 0.340 nan 8.230 nan 0.000 0.432 611 L N -1.011 120.259 121.223 0.079 0.000 2.465 611 L HA -0.098 4.253 4.340 0.020 0.000 0.224 611 L C 2.466 179.359 176.870 0.038 0.000 1.145 611 L CA 0.510 55.361 54.840 0.020 0.000 0.834 611 L CB -0.388 41.583 42.059 -0.148 0.000 0.944 611 L HN 0.222 nan 8.230 nan 0.000 0.451 612 A N -0.615 122.246 122.820 0.070 0.000 2.123 612 A HA 0.019 4.351 4.320 0.020 0.000 0.214 612 A C 1.460 179.092 177.584 0.080 0.000 1.152 612 A CA 0.399 52.481 52.037 0.074 0.000 0.728 612 A CB 0.024 19.075 19.000 0.085 0.000 0.814 612 A HN 0.194 nan 8.150 nan 0.000 0.464 613 R N 0.063 120.621 120.500 0.097 0.000 3.534 613 R HA 0.197 4.549 4.340 0.020 0.000 0.312 613 R C 0.674 177.052 176.300 0.130 0.000 1.419 613 R CA -0.117 56.042 56.100 0.097 0.000 1.262 613 R CB -0.452 29.911 30.300 0.104 0.000 1.437 613 R HN 0.504 nan 8.270 nan 0.000 0.627 614 R N 1.731 122.316 120.500 0.141 0.000 2.317 614 R HA -0.021 4.331 4.340 0.020 0.000 0.208 614 R C 1.399 177.844 176.300 0.242 0.000 0.914 614 R CA 0.280 56.508 56.100 0.214 0.000 1.060 614 R CB 0.360 30.762 30.300 0.170 0.000 1.015 614 R HN 0.366 nan 8.270 nan 0.000 0.498 615 E N 0.046 120.344 120.200 0.162 0.000 2.114 615 E HA -0.193 4.169 4.350 0.020 0.000 0.199 615 E C 1.469 178.147 176.600 0.129 0.000 1.008 615 E CA 1.768 58.243 56.400 0.126 0.000 0.810 615 E CB -0.457 29.289 29.700 0.076 0.000 0.739 615 E HN 0.133 nan 8.360 nan 0.000 0.456 616 V N 1.270 121.270 119.914 0.144 0.000 2.343 616 V HA -0.233 3.899 4.120 0.020 0.000 0.247 616 V C 2.269 178.417 176.094 0.090 0.000 1.051 616 V CA 2.043 64.400 62.300 0.096 0.000 1.036 616 V CB -1.129 30.749 31.823 0.092 0.000 0.654 616 V HN 0.499 nan 8.190 nan 0.000 0.451 617 W N 1.506 122.787 121.300 -0.032 0.000 2.332 617 W HA -0.213 4.458 4.660 0.018 0.000 0.321 617 W C 2.190 178.652 176.519 -0.095 0.000 1.219 617 W CA 2.146 59.395 57.345 -0.160 0.000 1.277 617 W CB -0.636 28.704 29.460 -0.201 0.000 1.161 617 W HN 0.332 nan 8.180 nan 0.000 0.476 618 D N 0.113 120.667 120.400 0.256 0.000 2.203 618 D HA -0.248 4.403 4.640 0.020 0.000 0.199 618 D C 2.097 178.376 176.300 -0.036 0.000 0.997 618 D CA 1.886 55.960 54.000 0.124 0.000 0.863 618 D CB -0.453 40.440 40.800 0.155 0.000 0.928 618 D HN 0.460 nan 8.370 nan 0.000 0.458 619 Q N -0.077 119.697 119.800 -0.045 0.000 2.339 619 Q HA 0.025 4.377 4.340 0.020 0.000 0.205 619 Q C 0.769 176.700 176.000 -0.116 0.000 0.925 619 Q CA -0.007 55.759 55.803 -0.061 0.000 0.898 619 Q CB 0.423 29.143 28.738 -0.030 0.000 1.013 619 Q HN 0.171 nan 8.270 nan 0.000 0.504 620 S N 0.273 115.866 115.700 -0.178 0.000 2.585 620 S HA 0.444 4.926 4.470 0.020 0.000 0.273 620 S C 0.198 174.657 174.600 -0.234 0.000 1.339 620 S CA -0.556 57.523 58.200 -0.203 0.000 1.028 620 S CB 1.162 64.215 63.200 -0.246 0.000 0.906 620 S HN 0.253 nan 8.310 nan 0.000 0.528 621 A N 2.051 124.761 122.820 -0.183 0.000 2.540 621 A HA 0.331 4.662 4.320 0.020 0.000 0.239 621 A C 0.328 177.777 177.584 -0.225 0.000 1.061 621 A CA -0.524 51.414 52.037 -0.165 0.000 0.758 621 A CB -0.425 18.504 19.000 -0.119 0.000 0.991 621 A HN 1.162 nan 8.150 nan 0.000 0.502 622 L N 2.049 123.152 121.223 -0.201 0.000 2.601 622 L HA 0.092 4.444 4.340 0.020 0.000 0.277 622 L C -0.057 176.691 176.870 -0.203 0.000 1.219 622 L CA 0.809 55.512 54.840 -0.228 0.000 0.915 622 L CB 0.110 42.078 42.059 -0.151 0.000 1.160 622 L HN 0.666 nan 8.230 nan 0.000 0.494 623 D N 4.157 124.403 120.400 -0.256 0.000 2.454 623 D HA 0.141 4.793 4.640 0.020 0.000 0.247 623 D C 0.880 177.071 176.300 -0.181 0.000 1.129 623 D CA -0.346 53.540 54.000 -0.190 0.000 0.877 623 D CB 1.519 42.197 40.800 -0.202 0.000 1.082 623 D HN 0.457 nan 8.370 nan 0.000 0.537 624 V N 3.753 123.562 119.914 -0.176 0.000 2.407 624 V HA -0.149 3.983 4.120 0.020 0.000 0.248 624 V C 2.516 178.498 176.094 -0.187 0.000 1.055 624 V CA 2.212 64.355 62.300 -0.262 0.000 1.049 624 V CB -0.462 31.064 31.823 -0.495 0.000 0.662 624 V HN 0.696 nan 8.190 nan 0.000 0.455 625 G N -0.354 108.382 108.800 -0.106 0.000 2.476 625 G HA2 -0.263 3.709 3.960 0.020 0.000 0.218 625 G HA3 -0.263 3.709 3.960 0.020 0.000 0.218 625 G C 1.616 176.507 174.900 -0.016 0.000 1.164 625 G CA 1.108 46.182 45.100 -0.042 0.000 0.768 625 G HN 0.448 nan 8.290 nan 0.000 0.560 626 L N 0.268 121.477 121.223 -0.024 0.000 2.056 626 L HA -0.082 4.269 4.340 0.020 0.000 0.207 626 L C 3.241 180.166 176.870 0.090 0.000 1.078 626 L CA 1.709 56.578 54.840 0.047 0.000 0.749 626 L CB -0.579 41.479 42.059 -0.001 0.000 0.901 626 L HN 0.249 nan 8.230 nan 0.000 0.433 627 T N -0.520 114.040 114.554 0.011 0.000 2.746 627 T HA -0.180 4.182 4.350 0.020 0.000 0.267 627 T C 1.927 176.633 174.700 0.010 0.000 1.039 627 T CA 1.112 63.233 62.100 0.035 0.000 1.142 627 T CB -0.079 68.748 68.868 -0.068 0.000 0.866 627 T HN 0.149 nan 8.240 nan 0.000 0.444 628 M N 1.328 120.913 119.600 -0.025 0.000 2.213 628 M HA -0.040 4.452 4.480 0.020 0.000 0.263 628 M C 2.264 178.592 176.300 0.046 0.000 1.062 628 M CA 1.326 56.627 55.300 0.002 0.000 1.105 628 M CB -1.089 31.503 32.600 -0.013 0.000 1.385 628 M HN 0.384 nan 8.290 nan 0.000 0.417 629 Q N 0.149 119.985 119.800 0.059 0.000 2.079 629 Q HA -0.062 4.290 4.340 0.020 0.000 0.200 629 Q C 2.130 178.203 176.000 0.121 0.000 0.974 629 Q CA 1.014 56.886 55.803 0.116 0.000 0.840 629 Q CB -0.179 28.642 28.738 0.138 0.000 0.898 629 Q HN 0.492 nan 8.270 nan 0.000 0.430 630 L N 0.385 121.547 121.223 -0.101 0.000 2.353 630 L HA -0.135 4.217 4.340 0.020 0.000 0.220 630 L C 1.791 178.629 176.870 -0.053 0.000 1.133 630 L CA 0.672 55.276 54.840 -0.394 0.000 0.798 630 L CB -0.215 41.618 42.059 -0.377 0.000 0.922 630 L HN 0.269 nan 8.230 nan 0.000 0.445 631 L N -0.406 120.844 121.223 0.046 0.000 2.592 631 L HA 0.044 4.395 4.340 0.020 0.000 0.227 631 L C 0.787 177.737 176.870 0.133 0.000 1.127 631 L CA -0.467 54.433 54.840 0.100 0.000 0.884 631 L CB -0.437 41.679 42.059 0.095 0.000 1.065 631 L HN 0.328 nan 8.230 nan 0.000 0.457 632 D N -0.816 119.612 120.400 0.047 0.000 2.440 632 D HA -0.057 4.595 4.640 0.020 0.000 0.269 632 D C 1.378 177.345 176.300 -0.555 0.000 1.249 632 D CA -0.311 53.468 54.000 -0.368 0.000 1.055 632 D CB 0.309 40.937 40.800 -0.286 0.000 1.104 632 D HN 0.143 nan 8.370 nan 0.000 0.561 633 C N -1.798 116.884 119.300 -1.030 0.000 2.539 633 C HA 0.243 4.714 4.460 0.020 0.000 0.271 633 C C 1.189 175.926 174.990 -0.421 0.000 1.412 633 C CA -0.429 58.171 59.018 -0.695 0.000 1.729 633 C CB -2.037 25.320 27.740 -0.639 0.000 1.739 633 C HN 0.468 nan 8.230 nan 0.000 0.570 634 N N -0.678 117.738 118.700 -0.472 0.000 2.336 634 N HA 0.267 5.019 4.740 0.020 0.000 0.189 634 N C -0.727 174.154 175.510 -1.049 0.000 1.113 634 N CA 0.284 52.913 53.050 -0.701 0.000 0.858 634 N CB 0.127 38.129 38.487 -0.807 0.000 0.970 634 N HN 0.557 nan 8.380 nan 0.000 0.471 635 F N -0.890 118.932 119.950 -0.212 0.000 2.553 635 F HA 0.370 4.908 4.527 0.017 0.000 0.335 635 F C 0.754 176.333 175.800 -0.368 0.000 1.148 635 F CA -0.730 57.114 58.000 -0.259 0.000 0.963 635 F CB 1.989 40.894 39.000 -0.158 0.000 1.217 635 F HN -0.171 nan 8.300 nan 0.000 0.441 636 S N 0.216 115.605 115.700 -0.517 0.000 2.502 636 S HA -0.033 4.449 4.470 0.020 0.000 0.215 636 S C 0.050 174.391 174.600 -0.432 0.000 1.009 636 S CA -0.183 57.632 58.200 -0.641 0.000 0.908 636 S CB -0.114 62.310 63.200 -1.292 0.000 0.801 636 S HN 0.704 nan 8.310 nan 0.000 0.505 637 D N 2.173 122.321 120.400 -0.421 0.000 2.383 637 D HA 0.038 4.690 4.640 0.020 0.000 0.252 637 D C 1.228 177.478 176.300 -0.083 0.000 1.166 637 D CA 0.022 53.906 54.000 -0.193 0.000 0.879 637 D CB 0.717 41.282 40.800 -0.391 0.000 1.164 637 D HN 0.371 nan 8.370 nan 0.000 0.462 638 E N 2.870 123.088 120.200 0.029 0.000 2.371 638 E HA -0.159 4.203 4.350 0.020 0.000 0.194 638 E C 0.707 177.301 176.600 -0.009 0.000 1.012 638 E CA 0.287 56.705 56.400 0.030 0.000 0.860 638 E CB -0.006 29.750 29.700 0.094 0.000 0.811 638 E HN 0.411 nan 8.360 nan 0.000 0.502 639 N N 1.109 119.800 118.700 -0.016 0.000 2.216 639 N HA -0.080 4.671 4.740 0.020 0.000 0.183 639 N C 1.982 177.337 175.510 -0.258 0.000 1.017 639 N CA 1.158 54.132 53.050 -0.127 0.000 0.861 639 N CB 0.151 38.485 38.487 -0.256 0.000 0.986 639 N HN 0.092 nan 8.380 nan 0.000 0.428 640 V N 1.873 121.600 119.914 -0.310 0.000 2.358 640 V HA -0.170 3.961 4.120 0.020 0.000 0.246 640 V C 2.313 178.189 176.094 -0.364 0.000 1.047 640 V CA 1.473 63.469 62.300 -0.505 0.000 1.035 640 V CB -0.373 31.125 31.823 -0.542 0.000 0.658 640 V HN 0.243 nan 8.190 nan 0.000 0.452 641 R N 0.201 120.575 120.500 -0.210 0.000 2.092 641 R HA -0.051 4.300 4.340 0.020 0.000 0.231 641 R C 2.437 178.678 176.300 -0.098 0.000 1.119 641 R CA 1.294 57.316 56.100 -0.130 0.000 0.970 641 R CB -0.580 29.691 30.300 -0.047 0.000 0.864 641 R HN 0.522 nan 8.270 nan 0.000 0.440 642 A N 2.048 124.817 122.820 -0.085 0.000 1.940 642 A HA -0.166 4.165 4.320 0.020 0.000 0.219 642 A C 2.223 179.775 177.584 -0.053 0.000 1.176 642 A CA 1.600 53.608 52.037 -0.048 0.000 0.631 642 A CB -0.681 18.304 19.000 -0.025 0.000 0.814 642 A HN 0.483 nan 8.150 nan 0.000 0.446 643 I N -3.054 117.448 120.570 -0.112 0.000 2.614 643 I HA 0.015 4.197 4.170 0.020 0.000 0.258 643 I C 2.267 178.453 176.117 0.115 0.000 1.189 643 I CA 1.226 62.493 61.300 -0.056 0.000 1.462 643 I CB -0.387 37.435 38.000 -0.297 0.000 1.092 643 I HN 0.162 nan 8.210 nan 0.000 0.442 644 A N 1.614 124.451 122.820 0.029 0.000 1.873 644 A HA -0.040 4.292 4.320 0.020 0.000 0.215 644 A C 2.378 179.968 177.584 0.010 0.000 1.186 644 A CA 1.860 53.972 52.037 0.125 0.000 0.616 644 A CB -1.055 17.958 19.000 0.022 0.000 0.823 644 A HN 0.316 nan 8.150 nan 0.000 0.442 645 V N -0.036 119.839 119.914 -0.065 0.000 2.490 645 V HA -0.322 3.810 4.120 0.020 0.000 0.250 645 V C 2.609 178.594 176.094 -0.181 0.000 1.061 645 V CA 2.224 64.412 62.300 -0.187 0.000 1.064 645 V CB -0.928 30.820 31.823 -0.126 0.000 0.670 645 V HN 0.640 nan 8.190 nan 0.000 0.461 646 Q N -0.392 119.384 119.800 -0.040 0.000 2.084 646 Q HA -0.260 4.092 4.340 0.020 0.000 0.202 646 Q C 2.332 178.322 176.000 -0.017 0.000 0.978 646 Q CA 1.607 57.412 55.803 0.003 0.000 0.844 646 Q CB -0.082 28.705 28.738 0.082 0.000 0.898 646 Q HN 0.369 nan 8.270 nan 0.000 0.426 647 K N 0.374 120.779 120.400 0.009 0.000 2.211 647 K HA -0.052 4.280 4.320 0.020 0.000 0.203 647 K C 1.621 178.148 176.600 -0.120 0.000 1.050 647 K CA 0.871 57.120 56.287 -0.063 0.000 0.945 647 K CB -0.057 32.390 32.500 -0.088 0.000 0.732 647 K HN 0.192 nan 8.250 nan 0.000 0.451 648 L N 0.547 121.649 121.223 -0.202 0.000 2.313 648 L HA -0.050 4.302 4.340 0.020 0.000 0.214 648 L C 1.674 178.437 176.870 -0.180 0.000 1.119 648 L CA 0.630 55.305 54.840 -0.274 0.000 0.809 648 L CB -0.300 41.416 42.059 -0.571 0.000 0.933 648 L HN 0.118 nan 8.230 nan 0.000 0.449 649 E N 0.306 120.417 120.200 -0.148 0.000 2.333 649 E HA -0.161 4.201 4.350 0.020 0.000 0.198 649 E C 1.987 178.677 176.600 0.150 0.000 1.007 649 E CA 1.392 57.865 56.400 0.121 0.000 0.845 649 E CB -0.061 29.701 29.700 0.103 0.000 0.766 649 E HN 0.538 nan 8.360 nan 0.000 0.507 650 S N -0.229 115.511 115.700 0.068 0.000 2.577 650 S HA 0.148 4.629 4.470 0.020 0.000 0.219 650 S C 0.816 175.463 174.600 0.079 0.000 0.962 650 S CA -0.357 57.880 58.200 0.062 0.000 0.921 650 S CB -0.154 63.054 63.200 0.012 0.000 0.789 650 S HN 0.024 nan 8.310 nan 0.000 0.497 651 L N 3.226 124.524 121.223 0.125 0.000 2.367 651 L HA 0.281 4.633 4.340 0.020 0.000 0.275 651 L C 0.635 177.604 176.870 0.166 0.000 1.129 651 L CA -0.559 54.374 54.840 0.154 0.000 0.839 651 L CB 0.577 42.767 42.059 0.217 0.000 1.133 651 L HN 0.454 nan 8.230 nan 0.000 0.453 652 E N 1.610 121.891 120.200 0.135 0.000 2.408 652 E HA -0.015 4.347 4.350 0.020 0.000 0.259 652 E C -0.058 176.634 176.600 0.154 0.000 1.110 652 E CA -0.733 55.743 56.400 0.126 0.000 0.929 652 E CB 0.699 30.457 29.700 0.097 0.000 0.971 652 E HN 0.448 nan 8.360 nan 0.000 0.438 653 D N 1.563 122.048 120.400 0.142 0.000 2.204 653 D HA -0.264 4.388 4.640 0.020 0.000 0.189 653 D C 1.313 177.720 176.300 0.178 0.000 1.006 653 D CA 2.019 56.110 54.000 0.151 0.000 0.855 653 D CB -0.450 40.440 40.800 0.150 0.000 0.946 653 D HN 0.701 nan 8.370 nan 0.000 0.448 654 D N 0.161 120.682 120.400 0.202 0.000 2.133 654 D HA -0.162 4.490 4.640 0.020 0.000 0.192 654 D C 1.445 177.891 176.300 0.242 0.000 1.001 654 D CA 1.391 55.533 54.000 0.236 0.000 0.844 654 D CB -0.071 40.849 40.800 0.200 0.000 0.944 654 D HN 0.145 nan 8.370 nan 0.000 0.447 655 D N -0.712 119.835 120.400 0.245 0.000 2.144 655 D HA -0.089 4.563 4.640 0.020 0.000 0.200 655 D C 2.311 178.789 176.300 0.297 0.000 0.978 655 D CA 0.406 54.578 54.000 0.287 0.000 0.833 655 D CB -0.160 40.803 40.800 0.271 0.000 0.961 655 D HN 0.167 nan 8.370 nan 0.000 0.470 656 V N 1.427 121.498 119.914 0.262 0.000 2.332 656 V HA -0.223 3.909 4.120 0.020 0.000 0.248 656 V C 2.680 178.874 176.094 0.167 0.000 1.055 656 V CA 1.128 63.583 62.300 0.258 0.000 1.038 656 V CB -0.438 31.503 31.823 0.197 0.000 0.651 656 V HN 0.205 nan 8.190 nan 0.000 0.450 657 L N -1.016 120.255 121.223 0.080 0.000 2.131 657 L HA -0.215 4.136 4.340 0.020 0.000 0.210 657 L C 2.491 179.267 176.870 -0.156 0.000 1.092 657 L CA 1.643 56.455 54.840 -0.047 0.000 0.759 657 L CB -0.557 41.442 42.059 -0.099 0.000 0.903 657 L HN 0.435 nan 8.230 nan 0.000 0.435 658 H N -1.953 117.007 119.070 -0.183 0.000 2.387 658 H HA -0.177 4.391 4.556 0.020 0.000 0.299 658 H C 1.113 176.118 175.328 -0.537 0.000 1.090 658 H CA 2.014 57.797 56.048 -0.442 0.000 1.332 658 H CB 0.105 29.447 29.762 -0.699 0.000 1.386 658 H HN 0.340 nan 8.280 nan 0.000 0.516 659 Y N -1.360 119.023 120.300 0.139 0.000 2.467 659 Y HA 0.067 4.629 4.550 0.020 0.000 0.250 659 Y C 1.632 177.577 175.900 0.074 0.000 1.155 659 Y CA -0.434 57.717 58.100 0.086 0.000 1.249 659 Y CB 0.423 38.939 38.460 0.093 0.000 1.146 659 Y HN 0.102 nan 8.280 nan 0.000 0.524 660 L N 0.441 121.769 121.223 0.176 0.000 2.012 660 L HA -0.218 4.134 4.340 0.020 0.000 0.210 660 L C 2.188 179.136 176.870 0.129 0.000 1.073 660 L CA 1.629 56.593 54.840 0.207 0.000 0.748 660 L CB -0.789 41.425 42.059 0.257 0.000 0.891 660 L HN 0.338 nan 8.230 nan 0.000 0.431 661 L N -0.694 120.500 121.223 -0.049 0.000 2.042 661 L HA -0.247 4.105 4.340 0.020 0.000 0.210 661 L C 2.408 179.130 176.870 -0.247 0.000 1.076 661 L CA 1.944 56.490 54.840 -0.489 0.000 0.749 661 L CB -0.761 40.897 42.059 -0.668 0.000 0.893 661 L HN 0.455 nan 8.230 nan 0.000 0.432 662 Q N -1.368 118.386 119.800 -0.077 0.000 2.269 662 Q HA 0.031 4.383 4.340 0.020 0.000 0.201 662 Q C 2.185 178.214 176.000 0.049 0.000 0.946 662 Q CA 0.785 56.581 55.803 -0.012 0.000 0.877 662 Q CB 0.011 28.781 28.738 0.054 0.000 0.963 662 Q HN 0.547 nan 8.270 nan 0.000 0.472 663 L N -0.725 120.561 121.223 0.105 0.000 2.046 663 L HA -0.182 4.169 4.340 0.020 0.000 0.208 663 L C 2.120 179.051 176.870 0.101 0.000 1.077 663 L CA 0.832 55.753 54.840 0.136 0.000 0.747 663 L CB -0.506 41.686 42.059 0.220 0.000 0.896 663 L HN 0.112 nan 8.230 nan 0.000 0.432 664 V N -0.675 119.279 119.914 0.068 0.000 2.407 664 V HA -0.264 3.868 4.120 0.020 0.000 0.248 664 V C 2.550 178.638 176.094 -0.010 0.000 1.055 664 V CA 1.475 63.797 62.300 0.036 0.000 1.049 664 V CB -0.546 31.254 31.823 -0.039 0.000 0.662 664 V HN 0.484 nan 8.190 nan 0.000 0.455 665 Q N -0.133 119.610 119.800 -0.096 0.000 2.224 665 Q HA -0.038 4.313 4.340 0.020 0.000 0.203 665 Q C 2.378 178.219 176.000 -0.266 0.000 0.970 665 Q CA 1.584 57.288 55.803 -0.166 0.000 0.865 665 Q CB -0.542 28.092 28.738 -0.173 0.000 0.922 665 Q HN 0.662 nan 8.270 nan 0.000 0.445 666 A N 0.328 123.082 122.820 -0.110 0.000 2.121 666 A HA -0.056 4.276 4.320 0.020 0.000 0.218 666 A C 2.270 179.776 177.584 -0.130 0.000 1.154 666 A CA 0.692 52.696 52.037 -0.054 0.000 0.679 666 A CB -0.336 18.758 19.000 0.157 0.000 0.795 666 A HN 0.182 nan 8.150 nan 0.000 0.458 667 V N 0.047 119.903 119.914 -0.096 0.000 2.720 667 V HA -0.237 3.895 4.120 0.020 0.000 0.256 667 V C 2.241 178.127 176.094 -0.346 0.000 1.082 667 V CA 2.106 64.351 62.300 -0.092 0.000 1.101 667 V CB -0.585 31.287 31.823 0.081 0.000 0.693 667 V HN 0.568 nan 8.190 nan 0.000 0.479 668 K N -0.573 119.437 120.400 -0.649 0.000 2.283 668 K HA -0.050 4.282 4.320 0.020 0.000 0.202 668 K C 1.733 177.961 176.600 -0.619 0.000 1.048 668 K CA 1.269 56.907 56.287 -1.083 0.000 0.948 668 K CB -0.172 31.493 32.500 -1.392 0.000 0.742 668 K HN 0.503 nan 8.250 nan 0.000 0.458 669 F N 1.434 121.278 119.950 -0.178 0.000 2.743 669 F HA 0.040 4.580 4.527 0.022 0.000 0.297 669 F C 0.743 176.481 175.800 -0.102 0.000 1.131 669 F CA -0.370 57.563 58.000 -0.112 0.000 1.426 669 F CB 0.272 39.226 39.000 -0.077 0.000 1.116 669 F HN -0.176 nan 8.300 nan 0.000 0.583 670 E N 2.011 122.235 120.200 0.040 0.000 2.417 670 E HA -0.008 4.354 4.350 0.020 0.000 0.261 670 E C -1.583 174.976 176.600 -0.068 0.000 1.000 670 E CA -1.271 55.134 56.400 0.008 0.000 0.919 670 E CB 0.497 30.212 29.700 0.026 0.000 0.955 670 E HN 0.086 nan 8.360 nan 0.000 0.455 671 P HA -0.130 nan 4.420 nan 0.000 0.215 671 P C -0.286 176.660 177.300 -0.590 0.000 1.153 671 P CA 1.450 64.305 63.100 -0.409 0.000 0.853 671 P CB 0.106 31.494 31.700 -0.521 0.000 0.788 672 Y N -2.403 117.834 120.300 -0.105 0.000 2.409 672 Y HA 0.236 4.798 4.550 0.019 0.000 0.339 672 Y C 2.029 177.893 175.900 -0.060 0.000 1.033 672 Y CA -0.814 57.198 58.100 -0.147 0.000 1.094 672 Y CB 0.724 39.139 38.460 -0.074 0.000 1.210 672 Y HN -0.075 nan 8.280 nan 0.000 0.456 673 H N -0.311 118.846 119.070 0.145 0.000 2.321 673 H HA -0.179 4.389 4.556 0.020 0.000 0.295 673 H C 0.203 175.597 175.328 0.109 0.000 1.102 673 H CA 1.620 57.716 56.048 0.079 0.000 1.266 673 H CB -0.019 29.776 29.762 0.055 0.000 1.363 673 H HN 0.535 nan 8.280 nan 0.000 0.492 674 D N 0.896 121.473 120.400 0.296 0.000 2.274 674 D HA 0.241 4.893 4.640 0.020 0.000 0.239 674 D C -0.364 176.053 176.300 0.193 0.000 1.104 674 D CA -0.212 53.918 54.000 0.216 0.000 0.840 674 D CB 0.830 41.759 40.800 0.215 0.000 1.100 674 D HN 0.310 nan 8.370 nan 0.000 0.477 675 S N 1.609 117.403 115.700 0.157 0.000 2.607 675 S HA 0.639 5.121 4.470 0.020 0.000 0.273 675 S C 0.870 175.547 174.600 0.129 0.000 1.148 675 S CA -0.306 57.978 58.200 0.141 0.000 0.833 675 S CB 1.276 64.556 63.200 0.134 0.000 1.130 675 S HN 0.291 nan 8.310 nan 0.000 0.470 676 A N 0.589 123.477 122.820 0.114 0.000 1.940 676 A HA -0.007 4.325 4.320 0.020 0.000 0.219 676 A C 1.977 179.655 177.584 0.158 0.000 1.176 676 A CA 1.856 53.964 52.037 0.117 0.000 0.631 676 A CB -0.977 18.069 19.000 0.076 0.000 0.814 676 A HN 1.120 nan 8.150 nan 0.000 0.446 677 L N -0.624 120.684 121.223 0.141 0.000 2.109 677 L HA 0.092 4.444 4.340 0.020 0.000 0.207 677 L C 2.586 179.597 176.870 0.234 0.000 1.086 677 L CA 1.987 56.940 54.840 0.188 0.000 0.760 677 L CB -0.691 41.450 42.059 0.136 0.000 0.910 677 L HN 0.299 nan 8.230 nan 0.000 0.437 678 A N -0.136 122.789 122.820 0.175 0.000 1.877 678 A HA -0.221 4.111 4.320 0.020 0.000 0.216 678 A C 2.439 180.119 177.584 0.160 0.000 1.186 678 A CA 1.885 54.019 52.037 0.161 0.000 0.620 678 A CB -0.540 18.541 19.000 0.135 0.000 0.822 678 A HN 0.490 nan 8.150 nan 0.000 0.443 679 R N -1.878 118.720 120.500 0.164 0.000 2.070 679 R HA -0.097 4.255 4.340 0.020 0.000 0.233 679 R C 2.008 178.412 176.300 0.174 0.000 1.137 679 R CA 1.594 57.783 56.100 0.148 0.000 0.945 679 R CB -0.591 29.791 30.300 0.137 0.000 0.845 679 R HN 0.578 nan 8.270 nan 0.000 0.430 680 F N 1.546 121.542 119.950 0.078 0.000 2.147 680 F HA -0.240 4.300 4.527 0.021 0.000 0.301 680 F C 1.691 177.543 175.800 0.086 0.000 1.084 680 F CA 1.542 59.590 58.000 0.079 0.000 1.268 680 F CB -0.170 38.876 39.000 0.077 0.000 1.009 680 F HN -0.051 nan 8.300 nan 0.000 0.486 681 L N -0.545 120.691 121.223 0.022 0.000 2.056 681 L HA -0.207 4.145 4.340 0.020 0.000 0.207 681 L C 2.628 179.441 176.870 -0.095 0.000 1.078 681 L CA 0.902 55.685 54.840 -0.094 0.000 0.749 681 L CB -0.827 41.278 42.059 0.077 0.000 0.901 681 L HN 0.251 nan 8.230 nan 0.000 0.433 682 L N 0.109 121.336 121.223 0.007 0.000 1.997 682 L HA -0.327 4.025 4.340 0.020 0.000 0.216 682 L C 2.813 179.707 176.870 0.039 0.000 1.074 682 L CA 1.821 56.700 54.840 0.064 0.000 0.763 682 L CB -0.285 41.830 42.059 0.092 0.000 0.890 682 L HN 0.317 nan 8.230 nan 0.000 0.434 683 K N -0.897 119.489 120.400 -0.023 0.000 2.002 683 K HA -0.174 4.157 4.320 0.020 0.000 0.209 683 K C 2.081 178.638 176.600 -0.071 0.000 1.048 683 K CA 1.096 57.364 56.287 -0.031 0.000 0.930 683 K CB -0.124 32.364 32.500 -0.020 0.000 0.714 683 K HN 0.251 nan 8.250 nan 0.000 0.438 684 R N 0.118 120.480 120.500 -0.230 0.000 2.115 684 R HA -0.044 4.308 4.340 0.020 0.000 0.230 684 R C 2.288 178.559 176.300 -0.047 0.000 1.111 684 R CA 1.132 57.111 56.100 -0.202 0.000 0.976 684 R CB -1.045 28.995 30.300 -0.434 0.000 0.870 684 R HN 0.366 nan 8.270 nan 0.000 0.445 685 G N 1.235 110.016 108.800 -0.031 0.000 2.464 685 G HA2 -0.200 3.772 3.960 0.020 0.000 0.214 685 G HA3 -0.200 3.772 3.960 0.020 0.000 0.214 685 G C 1.546 176.622 174.900 0.293 0.000 1.218 685 G CA 0.292 45.427 45.100 0.059 0.000 0.794 685 G HN 0.208 nan 8.290 nan 0.000 0.542 686 L N 0.269 121.688 121.223 0.327 0.000 2.197 686 L HA -0.134 4.218 4.340 0.020 0.000 0.215 686 L C 2.869 179.820 176.870 0.135 0.000 1.095 686 L CA 1.381 56.366 54.840 0.242 0.000 0.764 686 L CB -0.262 41.855 42.059 0.096 0.000 0.897 686 L HN 0.244 nan 8.230 nan 0.000 0.436 687 R N -0.076 120.507 120.500 0.137 0.000 2.161 687 R HA -0.031 4.321 4.340 0.020 0.000 0.213 687 R C 0.625 177.104 176.300 0.299 0.000 1.055 687 R CA 0.580 56.751 56.100 0.117 0.000 0.996 687 R CB 0.310 30.652 30.300 0.070 0.000 0.901 687 R HN 0.226 nan 8.270 nan 0.000 0.456 688 N N 0.488 119.375 118.700 0.312 0.000 2.480 688 N HA 0.081 4.833 4.740 0.020 0.000 0.289 688 N C -0.625 174.993 175.510 0.180 0.000 1.073 688 N CA -0.217 52.984 53.050 0.250 0.000 0.885 688 N CB 1.826 40.405 38.487 0.153 0.000 1.421 688 N HN -0.049 nan 8.380 nan 0.000 0.503 689 K N 1.754 122.161 120.400 0.012 0.000 2.211 689 K HA -0.119 4.213 4.320 0.020 0.000 0.204 689 K C 1.755 178.291 176.600 -0.107 0.000 1.047 689 K CA 1.194 57.404 56.287 -0.128 0.000 0.935 689 K CB 0.322 32.524 32.500 -0.496 0.000 0.728 689 K HN 0.478 nan 8.250 nan 0.000 0.452 690 R N 0.903 121.332 120.500 -0.119 0.000 2.057 690 R HA -0.086 4.266 4.340 0.020 0.000 0.229 690 R C 2.040 178.375 176.300 0.058 0.000 1.136 690 R CA 1.166 57.198 56.100 -0.114 0.000 0.952 690 R CB -0.065 30.133 30.300 -0.169 0.000 0.848 690 R HN 0.020 nan 8.270 nan 0.000 0.430 691 I N 0.875 121.490 120.570 0.075 0.000 2.185 691 I HA -0.203 3.979 4.170 0.020 0.000 0.246 691 I C 2.401 178.548 176.117 0.049 0.000 1.088 691 I CA 1.881 63.235 61.300 0.091 0.000 1.347 691 I CB -1.780 36.251 38.000 0.052 0.000 1.041 691 I HN 0.450 nan 8.210 nan 0.000 0.415 692 G N -0.462 108.375 108.800 0.061 0.000 2.408 692 G HA2 -0.292 3.680 3.960 0.020 0.000 0.217 692 G HA3 -0.292 3.680 3.960 0.020 0.000 0.217 692 G C 1.628 176.555 174.900 0.047 0.000 1.150 692 G CA 1.060 46.159 45.100 -0.002 0.000 0.776 692 G HN 0.520 nan 8.290 nan 0.000 0.542 693 H N -0.524 118.578 119.070 0.054 0.000 2.321 693 H HA -0.014 4.554 4.556 0.019 0.000 0.300 693 H C 2.142 177.405 175.328 -0.108 0.000 1.087 693 H CA 1.685 57.774 56.048 0.068 0.000 1.319 693 H CB -0.239 29.393 29.762 -0.215 0.000 1.379 693 H HN 0.365 nan 8.280 nan 0.000 0.501 694 F N -0.508 119.459 119.950 0.028 0.000 2.206 694 F HA -0.088 4.451 4.527 0.020 0.000 0.298 694 F C 2.340 177.714 175.800 -0.711 0.000 1.090 694 F CA 0.625 58.383 58.000 -0.402 0.000 1.323 694 F CB -0.155 38.541 39.000 -0.507 0.000 1.028 694 F HN 0.233 nan 8.300 nan 0.000 0.492 695 L N -0.400 120.670 121.223 -0.255 0.000 2.083 695 L HA -0.214 4.138 4.340 0.020 0.000 0.209 695 L C 2.164 178.820 176.870 -0.355 0.000 1.083 695 L CA 1.575 56.255 54.840 -0.265 0.000 0.752 695 L CB -1.033 40.831 42.059 -0.325 0.000 0.899 695 L HN 0.164 nan 8.230 nan 0.000 0.433 696 F N -0.619 118.961 119.950 -0.617 0.000 2.043 696 F HA -0.291 4.248 4.527 0.020 0.000 0.297 696 F C 1.896 177.305 175.800 -0.651 0.000 1.121 696 F CA 2.246 59.790 58.000 -0.760 0.000 1.199 696 F CB -0.713 37.535 39.000 -1.253 0.000 0.968 696 F HN 0.136 nan 8.300 nan 0.000 0.478 697 W N -0.383 120.710 121.300 -0.345 0.000 2.388 697 W HA -0.119 4.552 4.660 0.019 0.000 0.294 697 W C 2.488 178.925 176.519 -0.135 0.000 1.212 697 W CA 1.271 58.451 57.345 -0.275 0.000 1.271 697 W CB -0.768 28.601 29.460 -0.153 0.000 1.126 697 W HN 0.036 nan 8.180 nan 0.000 0.535 698 F N -0.118 119.839 119.950 0.012 0.000 2.102 698 F HA -0.238 4.301 4.527 0.020 0.000 0.298 698 F C 2.159 177.772 175.800 -0.311 0.000 1.105 698 F CA 0.622 58.559 58.000 -0.104 0.000 1.239 698 F CB -0.867 38.073 39.000 -0.100 0.000 0.991 698 F HN -0.208 nan 8.300 nan 0.000 0.474 699 L N -0.053 121.038 121.223 -0.219 0.000 2.017 699 L HA -0.215 4.137 4.340 0.020 0.000 0.208 699 L C 2.585 179.225 176.870 -0.384 0.000 1.073 699 L CA 1.277 55.860 54.840 -0.429 0.000 0.745 699 L CB -0.688 41.151 42.059 -0.365 0.000 0.894 699 L HN 0.083 nan 8.230 nan 0.000 0.432 700 R N -0.212 120.006 120.500 -0.470 0.000 2.096 700 R HA -0.184 4.168 4.340 0.020 0.000 0.235 700 R C 2.616 178.819 176.300 -0.163 0.000 1.127 700 R CA 1.614 57.453 56.100 -0.436 0.000 0.968 700 R CB -0.202 29.627 30.300 -0.785 0.000 0.861 700 R HN 0.251 nan 8.270 nan 0.000 0.440 701 S N 0.329 115.998 115.700 -0.052 0.000 2.359 701 S HA -0.168 4.314 4.470 0.020 0.000 0.224 701 S C 1.670 176.245 174.600 -0.041 0.000 1.035 701 S CA 1.468 59.679 58.200 0.019 0.000 1.018 701 S CB -0.150 63.096 63.200 0.077 0.000 0.876 701 S HN 0.365 nan 8.310 nan 0.000 0.448 702 E N 1.062 121.179 120.200 -0.139 0.000 2.047 702 E HA -0.045 4.317 4.350 0.020 0.000 0.191 702 E C 2.131 178.738 176.600 0.012 0.000 0.987 702 E CA 1.162 57.497 56.400 -0.109 0.000 0.799 702 E CB -0.645 28.822 29.700 -0.388 0.000 0.752 702 E HN 0.639 nan 8.360 nan 0.000 0.449 703 I N 1.208 121.760 120.570 -0.030 0.000 2.315 703 I HA -0.276 3.906 4.170 0.020 0.000 0.251 703 I C 2.303 178.436 176.117 0.028 0.000 1.125 703 I CA 1.209 62.515 61.300 0.010 0.000 1.392 703 I CB -0.276 37.699 38.000 -0.041 0.000 1.065 703 I HN -0.004 nan 8.210 nan 0.000 0.424 704 A N 0.274 123.106 122.820 0.019 0.000 2.067 704 A HA -0.135 4.196 4.320 0.020 0.000 0.217 704 A C 1.937 179.561 177.584 0.066 0.000 1.156 704 A CA 1.219 53.286 52.037 0.050 0.000 0.683 704 A CB -0.223 18.807 19.000 0.050 0.000 0.808 704 A HN 0.665 nan 8.150 nan 0.000 0.455 705 Q N -1.637 118.201 119.800 0.064 0.000 2.103 705 Q HA 0.298 4.650 4.340 0.020 0.000 0.219 705 Q C -0.029 176.026 176.000 0.091 0.000 0.784 705 Q CA 0.288 56.135 55.803 0.072 0.000 1.014 705 Q CB 0.151 28.922 28.738 0.055 0.000 1.183 705 Q HN 0.283 nan 8.270 nan 0.000 0.469 706 S N 0.917 116.681 115.700 0.108 0.000 2.718 706 S HA 0.361 4.842 4.470 0.020 0.000 0.294 706 S C 0.482 175.147 174.600 0.108 0.000 1.157 706 S CA -0.671 57.616 58.200 0.145 0.000 1.121 706 S CB 0.784 64.111 63.200 0.212 0.000 1.015 706 S HN 0.299 nan 8.310 nan 0.000 0.479 707 R N 2.459 123.003 120.500 0.073 0.000 2.189 707 R HA -0.017 4.334 4.340 0.020 0.000 0.218 707 R C 0.944 177.211 176.300 -0.056 0.000 1.074 707 R CA 1.097 57.231 56.100 0.057 0.000 0.991 707 R CB -0.345 30.055 30.300 0.166 0.000 0.883 707 R HN 0.734 nan 8.270 nan 0.000 0.457 708 H N -1.119 117.767 119.070 -0.307 0.000 2.423 708 H HA -0.088 4.480 4.556 0.020 0.000 0.297 708 H C 0.611 175.558 175.328 -0.635 0.000 1.075 708 H CA 1.489 57.139 56.048 -0.664 0.000 1.342 708 H CB 0.091 29.338 29.762 -0.858 0.000 1.395 708 H HN 0.225 nan 8.280 nan 0.000 0.530 709 Y N -0.022 120.265 120.300 -0.022 0.000 2.563 709 Y HA 0.033 4.594 4.550 0.019 0.000 0.250 709 Y C 1.914 177.717 175.900 -0.161 0.000 1.126 709 Y CA -0.395 57.608 58.100 -0.160 0.000 1.231 709 Y CB 0.514 38.820 38.460 -0.257 0.000 1.288 709 Y HN 0.212 nan 8.280 nan 0.000 0.537 710 Q N 0.417 120.224 119.800 0.012 0.000 2.096 710 Q HA -0.275 4.077 4.340 0.020 0.000 0.204 710 Q C 1.298 177.102 176.000 -0.326 0.000 0.982 710 Q CA 2.021 57.765 55.803 -0.098 0.000 0.850 710 Q CB -0.337 28.273 28.738 -0.213 0.000 0.901 710 Q HN 0.497 nan 8.270 nan 0.000 0.422 711 Q N 0.737 120.276 119.800 -0.435 0.000 2.045 711 Q HA -0.191 4.161 4.340 0.020 0.000 0.206 711 Q C 2.287 178.095 176.000 -0.320 0.000 0.991 711 Q CA 2.261 57.794 55.803 -0.450 0.000 0.851 711 Q CB -0.207 28.353 28.738 -0.296 0.000 0.911 711 Q HN 0.418 nan 8.270 nan 0.000 0.418 712 R N -0.183 120.116 120.500 -0.335 0.000 2.083 712 R HA -0.160 4.192 4.340 0.020 0.000 0.237 712 R C 2.018 178.208 176.300 -0.183 0.000 1.137 712 R CA 1.605 57.502 56.100 -0.338 0.000 0.951 712 R CB -0.317 29.814 30.300 -0.281 0.000 0.851 712 R HN 0.279 nan 8.270 nan 0.000 0.434 713 F N 0.525 120.423 119.950 -0.088 0.000 2.186 713 F HA -0.095 4.443 4.527 0.019 0.000 0.299 713 F C 2.639 178.373 175.800 -0.110 0.000 1.090 713 F CA 0.432 58.379 58.000 -0.088 0.000 1.307 713 F CB -0.207 38.740 39.000 -0.088 0.000 1.019 713 F HN 0.230 nan 8.300 nan 0.000 0.489 714 A N -0.031 122.810 122.820 0.034 0.000 1.917 714 A HA -0.198 4.134 4.320 0.020 0.000 0.219 714 A C 2.208 179.802 177.584 0.017 0.000 1.182 714 A CA 2.082 54.117 52.037 -0.004 0.000 0.633 714 A CB -1.198 17.773 19.000 -0.048 0.000 0.819 714 A HN 0.193 nan 8.150 nan 0.000 0.448 715 V N -0.158 119.752 119.914 -0.008 0.000 2.809 715 V HA -0.153 3.978 4.120 0.020 0.000 0.256 715 V C 2.207 178.323 176.094 0.037 0.000 1.080 715 V CA 1.578 63.880 62.300 0.003 0.000 1.102 715 V CB -0.529 31.269 31.823 -0.042 0.000 0.705 715 V HN 0.560 nan 8.190 nan 0.000 0.475 716 I N -1.163 119.445 120.570 0.063 0.000 2.400 716 I HA -0.125 4.057 4.170 0.020 0.000 0.248 716 I C 2.281 178.457 176.117 0.098 0.000 1.109 716 I CA 0.968 62.326 61.300 0.096 0.000 1.425 716 I CB -0.191 37.895 38.000 0.144 0.000 1.094 716 I HN 0.223 nan 8.210 nan 0.000 0.425 717 L N 0.925 122.183 121.223 0.059 0.000 1.970 717 L HA -0.268 4.083 4.340 0.020 0.000 0.212 717 L C 2.724 179.645 176.870 0.085 0.000 1.071 717 L CA 1.819 56.680 54.840 0.034 0.000 0.751 717 L CB -0.444 41.557 42.059 -0.097 0.000 0.889 717 L HN 0.338 nan 8.230 nan 0.000 0.432 718 E N -0.183 120.041 120.200 0.040 0.000 2.086 718 E HA -0.323 4.038 4.350 0.020 0.000 0.200 718 E C 1.977 178.605 176.600 0.047 0.000 1.012 718 E CA 1.767 58.184 56.400 0.028 0.000 0.812 718 E CB -0.055 29.658 29.700 0.022 0.000 0.743 718 E HN 0.585 nan 8.360 nan 0.000 0.453 719 A N 0.183 123.043 122.820 0.066 0.000 1.940 719 A HA -0.217 4.114 4.320 0.020 0.000 0.219 719 A C 2.036 179.669 177.584 0.083 0.000 1.176 719 A CA 1.657 53.735 52.037 0.068 0.000 0.631 719 A CB -0.874 18.170 19.000 0.073 0.000 0.814 719 A HN 0.593 nan 8.150 nan 0.000 0.446 720 Y N 0.391 120.708 120.300 0.029 0.000 2.220 720 Y HA -0.055 4.507 4.550 0.020 0.000 0.291 720 Y C 1.851 177.796 175.900 0.074 0.000 1.129 720 Y CA 1.520 59.646 58.100 0.043 0.000 1.161 720 Y CB -0.297 38.180 38.460 0.027 0.000 0.997 720 Y HN 0.193 nan 8.280 nan 0.000 0.522 721 L N 0.051 121.180 121.223 -0.157 0.000 2.141 721 L HA -0.160 4.191 4.340 0.020 0.000 0.209 721 L C 2.139 178.954 176.870 -0.092 0.000 1.094 721 L CA 1.223 55.961 54.840 -0.170 0.000 0.763 721 L CB -0.454 41.595 42.059 -0.016 0.000 0.908 721 L HN 0.106 nan 8.230 nan 0.000 0.437 722 R N -0.103 120.383 120.500 -0.023 0.000 2.328 722 R HA 0.021 4.372 4.340 0.020 0.000 0.206 722 R C 1.273 177.575 176.300 0.004 0.000 0.990 722 R CA 0.591 56.736 56.100 0.075 0.000 1.085 722 R CB 0.057 30.417 30.300 0.100 0.000 0.998 722 R HN 0.373 nan 8.270 nan 0.000 0.484 723 G N -0.999 107.744 108.800 -0.095 0.000 3.430 723 G HA2 -0.094 3.878 3.960 0.020 0.000 0.222 723 G HA3 -0.094 3.878 3.960 0.020 0.000 0.222 723 G C 1.141 175.954 174.900 -0.145 0.000 1.102 723 G CA -0.143 44.895 45.100 -0.104 0.000 0.927 723 G HN 0.399 nan 8.290 nan 0.000 0.597 724 C N -0.199 118.956 119.300 -0.241 0.000 2.446 724 C HA 0.561 5.033 4.460 0.020 0.000 0.279 724 C C 1.496 176.529 174.990 0.072 0.000 1.366 724 C CA 0.189 59.126 59.018 -0.136 0.000 1.763 724 C CB -1.001 26.578 27.740 -0.268 0.000 1.929 724 C HN 1.366 nan 8.230 nan 0.000 0.509 725 G N -0.306 108.507 108.800 0.021 0.000 2.465 725 G HA2 0.234 4.205 3.960 0.020 0.000 0.681 725 G HA3 0.234 4.205 3.960 0.020 0.000 0.681 725 G C 0.201 175.122 174.900 0.034 0.000 1.340 725 G CA 0.296 45.429 45.100 0.054 0.000 0.884 725 G HN 0.796 nan 8.290 nan 0.000 0.650 726 T N -1.455 113.118 114.554 0.031 0.000 2.951 726 T HA 0.268 4.630 4.350 0.020 0.000 0.268 726 T C 2.597 177.315 174.700 0.030 0.000 1.073 726 T CA 2.090 64.215 62.100 0.041 0.000 1.134 726 T CB -0.126 68.752 68.868 0.017 0.000 0.884 726 T HN 1.942 nan 8.240 nan 0.000 0.479 727 A N 2.514 125.337 122.820 0.006 0.000 1.877 727 A HA 0.022 4.354 4.320 0.020 0.000 0.216 727 A C 2.530 180.057 177.584 -0.095 0.000 1.186 727 A CA 1.805 53.832 52.037 -0.017 0.000 0.620 727 A CB -0.722 18.261 19.000 -0.028 0.000 0.822 727 A HN 0.435 nan 8.150 nan 0.000 0.443 728 M N -0.722 118.782 119.600 -0.160 0.000 2.086 728 M HA -0.088 4.404 4.480 0.020 0.000 0.261 728 M C 2.275 178.333 176.300 -0.403 0.000 1.067 728 M CA 1.273 56.329 55.300 -0.407 0.000 1.116 728 M CB -1.332 31.071 32.600 -0.328 0.000 1.348 728 M HN 0.397 nan 8.290 nan 0.000 0.407 729 L N -0.788 120.381 121.223 -0.091 0.000 2.081 729 L HA -0.283 4.069 4.340 0.020 0.000 0.212 729 L C 2.691 179.580 176.870 0.031 0.000 1.080 729 L CA 1.575 56.444 54.840 0.048 0.000 0.754 729 L CB -0.697 41.435 42.059 0.122 0.000 0.893 729 L HN 0.359 nan 8.230 nan 0.000 0.433 730 H N -0.844 118.181 119.070 -0.076 0.000 2.395 730 H HA -0.159 4.409 4.556 0.020 0.000 0.299 730 H C 1.963 177.229 175.328 -0.104 0.000 1.070 730 H CA 1.554 57.566 56.048 -0.060 0.000 1.356 730 H CB 0.004 29.738 29.762 -0.046 0.000 1.401 730 H HN 0.209 nan 8.280 nan 0.000 0.524 731 D N -0.189 120.038 120.400 -0.289 0.000 2.117 731 D HA -0.178 4.474 4.640 0.020 0.000 0.197 731 D C 2.012 178.101 176.300 -0.351 0.000 0.987 731 D CA 1.053 54.827 54.000 -0.376 0.000 0.829 731 D CB -0.387 40.152 40.800 -0.434 0.000 0.961 731 D HN 0.437 nan 8.370 nan 0.000 0.460 732 F N 0.481 120.234 119.950 -0.329 0.000 2.216 732 F HA -0.151 4.388 4.527 0.020 0.000 0.300 732 F C 2.644 178.249 175.800 -0.326 0.000 1.085 732 F CA 1.088 58.776 58.000 -0.520 0.000 1.326 732 F CB -0.213 38.237 39.000 -0.917 0.000 1.027 732 F HN -0.046 nan 8.300 nan 0.000 0.497 733 T N -0.749 113.760 114.554 -0.074 0.000 2.777 733 T HA -0.192 4.170 4.350 0.020 0.000 0.266 733 T C 1.865 176.517 174.700 -0.081 0.000 1.040 733 T CA 1.047 63.114 62.100 -0.054 0.000 1.141 733 T CB -0.300 68.553 68.868 -0.025 0.000 0.868 733 T HN 0.286 nan 8.240 nan 0.000 0.444 734 Q N 0.898 120.590 119.800 -0.181 0.000 2.014 734 Q HA -0.217 4.135 4.340 0.020 0.000 0.207 734 Q C 2.600 178.568 176.000 -0.054 0.000 0.993 734 Q CA 1.722 57.446 55.803 -0.132 0.000 0.850 734 Q CB -0.248 28.390 28.738 -0.166 0.000 0.916 734 Q HN 0.650 nan 8.270 nan 0.000 0.417 735 Q N -0.356 119.453 119.800 0.015 0.000 2.096 735 Q HA -0.150 4.202 4.340 0.020 0.000 0.204 735 Q C 2.198 178.265 176.000 0.111 0.000 0.982 735 Q CA 1.634 57.493 55.803 0.094 0.000 0.850 735 Q CB -0.126 28.814 28.738 0.338 0.000 0.901 735 Q HN 0.221 nan 8.270 nan 0.000 0.422 736 V N 1.142 121.139 119.914 0.138 0.000 2.358 736 V HA -0.272 3.859 4.120 0.020 0.000 0.246 736 V C 2.190 178.322 176.094 0.063 0.000 1.047 736 V CA 1.849 64.243 62.300 0.156 0.000 1.035 736 V CB -0.674 31.210 31.823 0.102 0.000 0.658 736 V HN 0.358 nan 8.190 nan 0.000 0.452 737 Q N -0.227 119.576 119.800 0.005 0.000 2.030 737 Q HA -0.194 4.157 4.340 0.020 0.000 0.204 737 Q C 2.371 178.333 176.000 -0.062 0.000 0.986 737 Q CA 2.217 58.009 55.803 -0.019 0.000 0.843 737 Q CB -0.417 28.307 28.738 -0.023 0.000 0.904 737 Q HN 0.578 nan 8.270 nan 0.000 0.420 738 V N 1.378 121.199 119.914 -0.156 0.000 2.261 738 V HA -0.270 3.862 4.120 0.020 0.000 0.246 738 V C 2.292 178.260 176.094 -0.211 0.000 1.047 738 V CA 2.022 64.154 62.300 -0.279 0.000 1.015 738 V CB -0.838 30.541 31.823 -0.741 0.000 0.642 738 V HN 0.476 nan 8.190 nan 0.000 0.446 739 I N -0.489 119.994 120.570 -0.145 0.000 2.493 739 I HA -0.118 4.063 4.170 0.020 0.000 0.254 739 I C 2.172 178.327 176.117 0.063 0.000 1.160 739 I CA 1.633 62.949 61.300 0.026 0.000 1.445 739 I CB -0.797 37.298 38.000 0.159 0.000 1.086 739 I HN 0.266 nan 8.210 nan 0.000 0.433 740 E N 0.994 121.224 120.200 0.051 0.000 2.072 740 E HA -0.163 4.199 4.350 0.020 0.000 0.191 740 E C 2.160 178.763 176.600 0.006 0.000 0.985 740 E CA 1.645 58.078 56.400 0.055 0.000 0.801 740 E CB -0.199 29.533 29.700 0.054 0.000 0.750 740 E HN 0.542 nan 8.360 nan 0.000 0.452 741 M N -0.180 119.402 119.600 -0.030 0.000 2.065 741 M HA -0.211 4.281 4.480 0.020 0.000 0.259 741 M C 2.215 178.458 176.300 -0.095 0.000 1.069 741 M CA 1.477 56.747 55.300 -0.050 0.000 1.110 741 M CB -0.364 32.203 32.600 -0.055 0.000 1.328 741 M HN 0.172 nan 8.290 nan 0.000 0.405 742 L N -0.329 120.788 121.223 -0.177 0.000 2.131 742 L HA -0.244 4.108 4.340 0.020 0.000 0.210 742 L C 2.604 179.282 176.870 -0.320 0.000 1.092 742 L CA 1.276 55.892 54.840 -0.374 0.000 0.759 742 L CB -0.715 40.872 42.059 -0.786 0.000 0.903 742 L HN 0.415 nan 8.230 nan 0.000 0.435 743 Q N 0.031 119.760 119.800 -0.120 0.000 2.061 743 Q HA -0.287 4.065 4.340 0.020 0.000 0.204 743 Q C 2.240 178.245 176.000 0.008 0.000 0.984 743 Q CA 1.748 57.572 55.803 0.036 0.000 0.846 743 Q CB -0.187 28.624 28.738 0.121 0.000 0.902 743 Q HN 0.394 nan 8.270 nan 0.000 0.421 744 K N 0.508 120.901 120.400 -0.012 0.000 2.020 744 K HA -0.196 4.136 4.320 0.020 0.000 0.212 744 K C 2.030 178.615 176.600 -0.026 0.000 1.050 744 K CA 1.670 57.950 56.287 -0.011 0.000 0.929 744 K CB -0.091 32.401 32.500 -0.014 0.000 0.714 744 K HN 0.035 nan 8.250 nan 0.000 0.443 745 V N 0.956 120.839 119.914 -0.052 0.000 2.282 745 V HA -0.298 3.834 4.120 0.020 0.000 0.249 745 V C 2.252 178.326 176.094 -0.033 0.000 1.057 745 V CA 2.426 64.696 62.300 -0.051 0.000 1.032 745 V CB -0.941 30.833 31.823 -0.082 0.000 0.645 745 V HN 0.483 nan 8.190 nan 0.000 0.447 746 T N 0.698 115.234 114.554 -0.031 0.000 2.643 746 T HA -0.138 4.224 4.350 0.020 0.000 0.264 746 T C 1.918 176.629 174.700 0.017 0.000 1.045 746 T CA 1.796 63.912 62.100 0.026 0.000 1.155 746 T CB -0.404 68.524 68.868 0.100 0.000 0.863 746 T HN 0.316 nan 8.240 nan 0.000 0.420 747 L N 0.909 122.129 121.223 -0.005 0.000 2.042 747 L HA -0.160 4.192 4.340 0.020 0.000 0.210 747 L C 2.555 179.386 176.870 -0.065 0.000 1.076 747 L CA 1.241 56.032 54.840 -0.081 0.000 0.749 747 L CB -0.671 41.339 42.059 -0.081 0.000 0.893 747 L HN 0.184 nan 8.230 nan 0.000 0.432 748 D N 0.257 120.637 120.400 -0.035 0.000 2.084 748 D HA -0.142 4.510 4.640 0.020 0.000 0.196 748 D C 2.165 178.454 176.300 -0.019 0.000 0.985 748 D CA 1.281 55.265 54.000 -0.027 0.000 0.826 748 D CB -0.138 40.651 40.800 -0.020 0.000 0.978 748 D HN 0.166 nan 8.370 nan 0.000 0.456 749 I N 1.121 121.685 120.570 -0.010 0.000 2.423 749 I HA -0.216 3.966 4.170 0.020 0.000 0.254 749 I C 2.236 178.353 176.117 0.000 0.000 1.151 749 I CA 1.047 62.346 61.300 -0.000 0.000 1.421 749 I CB -0.227 37.780 38.000 0.012 0.000 1.079 749 I HN -0.060 nan 8.210 nan 0.000 0.431 750 K N 0.151 120.546 120.400 -0.008 0.000 2.148 750 K HA -0.105 4.227 4.320 0.020 0.000 0.204 750 K C 2.074 178.663 176.600 -0.018 0.000 1.050 750 K CA 1.356 57.637 56.287 -0.010 0.000 0.942 750 K CB -0.004 32.472 32.500 -0.039 0.000 0.724 750 K HN 0.216 nan 8.250 nan 0.000 0.446 751 S N 0.593 116.276 115.700 -0.028 0.000 2.515 751 S HA 0.046 4.528 4.470 0.020 0.000 0.231 751 S C 0.370 174.964 174.600 -0.011 0.000 0.987 751 S CA 0.359 58.545 58.200 -0.023 0.000 0.936 751 S CB 0.002 63.186 63.200 -0.028 0.000 0.766 751 S HN 0.206 nan 8.310 nan 0.000 0.528 752 L N 2.753 123.972 121.223 -0.007 0.000 2.397 752 L HA 0.439 4.791 4.340 0.020 0.000 0.263 752 L C 0.298 177.169 176.870 0.000 0.000 1.136 752 L CA -0.400 54.438 54.840 -0.003 0.000 1.019 752 L CB -0.164 41.893 42.059 -0.002 0.000 1.352 752 L HN 0.172 nan 8.230 nan 0.000 0.420 759 V N -1.168 118.742 119.914 -0.006 0.000 2.481 759 V HA 0.802 4.933 4.120 0.020 0.000 0.286 759 V C 0.359 176.450 176.094 -0.005 0.000 1.042 759 V CA -0.395 61.904 62.300 -0.003 0.000 0.928 759 V CB 1.036 32.858 31.823 -0.000 0.000 0.986 759 V HN 0.807 nan 8.190 nan 0.000 0.462 760 S N 3.009 118.707 115.700 -0.003 0.000 2.562 760 S HA 0.312 4.794 4.470 0.020 0.000 0.275 760 S C 0.826 175.423 174.600 -0.004 0.000 1.281 760 S CA -0.025 58.173 58.200 -0.004 0.000 1.045 760 S CB 1.319 64.516 63.200 -0.003 0.000 0.962 760 S HN 0.896 nan 8.310 nan 0.000 0.503 761 S N 1.697 117.394 115.700 -0.005 0.000 2.603 761 S HA -0.028 4.454 4.470 0.020 0.000 0.229 761 S C 1.730 176.328 174.600 -0.004 0.000 0.972 761 S CA 0.295 58.492 58.200 -0.005 0.000 0.935 761 S CB -0.323 62.873 63.200 -0.007 0.000 0.769 761 S HN 0.721 nan 8.310 nan 0.000 0.536 762 Q N 0.387 120.185 119.800 -0.003 0.000 2.049 762 Q HA -0.032 4.319 4.340 0.020 0.000 0.198 762 Q C 2.198 178.197 176.000 -0.001 0.000 0.971 762 Q CA 1.203 57.005 55.803 -0.002 0.000 0.833 762 Q CB -0.227 28.509 28.738 -0.002 0.000 0.896 762 Q HN 0.434 nan 8.270 nan 0.000 0.434 763 V N 1.455 121.369 119.914 -0.001 0.000 2.358 763 V HA -0.235 3.897 4.120 0.020 0.000 0.246 763 V C 2.198 178.294 176.094 0.003 0.000 1.047 763 V CA 1.404 63.705 62.300 0.002 0.000 1.035 763 V CB -0.549 31.276 31.823 0.004 0.000 0.658 763 V HN 0.327 nan 8.190 nan 0.000 0.452 764 I N -0.021 120.550 120.570 0.002 0.000 2.530 764 I HA -0.211 3.970 4.170 0.020 0.000 0.257 764 I C 2.547 178.664 176.117 0.001 0.000 1.179 764 I CA 1.426 62.727 61.300 0.002 0.000 1.440 764 I CB -0.433 37.565 38.000 -0.003 0.000 1.087 764 I HN 0.268 nan 8.210 nan 0.000 0.440 765 S N 0.438 116.138 115.700 -0.001 0.000 2.356 765 S HA -0.144 4.338 4.470 0.020 0.000 0.219 765 S C 1.981 176.580 174.600 -0.001 0.000 1.036 765 S CA 1.078 59.277 58.200 -0.001 0.000 0.965 765 S CB 0.011 63.210 63.200 -0.002 0.000 0.864 765 S HN 0.408 nan 8.310 nan 0.000 0.471 766 Q N 1.057 120.856 119.800 -0.001 0.000 2.170 766 Q HA 0.024 4.376 4.340 0.020 0.000 0.203 766 Q C 2.114 178.112 176.000 -0.003 0.000 0.976 766 Q CA 1.020 56.821 55.803 -0.002 0.000 0.858 766 Q CB -0.294 28.442 28.738 -0.003 0.000 0.907 766 Q HN 0.472 nan 8.270 nan 0.000 0.433 767 L N 0.520 121.743 121.223 -0.000 0.000 1.970 767 L HA -0.274 4.078 4.340 0.020 0.000 0.212 767 L C 1.744 178.612 176.870 -0.004 0.000 1.071 767 L CA 1.463 56.303 54.840 0.000 0.000 0.751 767 L CB -0.158 41.907 42.059 0.010 0.000 0.889 767 L HN 0.203 nan 8.230 nan 0.000 0.432 768 K N -0.106 120.292 120.400 -0.002 0.000 2.103 768 K HA -0.199 4.132 4.320 0.020 0.000 0.207 768 K C 1.943 178.540 176.600 -0.005 0.000 1.048 768 K CA 1.373 57.658 56.287 -0.004 0.000 0.930 768 K CB -0.535 31.964 32.500 -0.002 0.000 0.716 768 K HN 0.571 nan 8.250 nan 0.000 0.444 769 Q N 0.869 120.667 119.800 -0.004 0.000 2.046 769 Q HA -0.075 4.277 4.340 0.020 0.000 0.200 769 Q C 2.100 178.097 176.000 -0.005 0.000 0.975 769 Q CA 1.242 57.043 55.803 -0.003 0.000 0.836 769 Q CB -0.131 28.605 28.738 -0.003 0.000 0.896 769 Q HN 0.372 nan 8.270 nan 0.000 0.428 770 K N 0.680 121.076 120.400 -0.007 0.000 2.097 770 K HA -0.061 4.271 4.320 0.020 0.000 0.205 770 K C 2.103 178.696 176.600 -0.012 0.000 1.050 770 K CA 0.799 57.080 56.287 -0.010 0.000 0.938 770 K CB -0.111 32.380 32.500 -0.015 0.000 0.718 770 K HN 0.176 nan 8.250 nan 0.000 0.442 771 L N 0.986 122.200 121.223 -0.014 0.000 2.362 771 L HA -0.157 4.194 4.340 0.020 0.000 0.219 771 L C 1.859 178.727 176.870 -0.004 0.000 1.134 771 L CA 1.139 55.969 54.840 -0.016 0.000 0.807 771 L CB -0.384 41.658 42.059 -0.028 0.000 0.927 771 L HN 0.254 nan 8.230 nan 0.000 0.447 772 E N -0.271 119.928 120.200 -0.002 0.000 2.086 772 E HA -0.103 4.258 4.350 0.020 0.000 0.190 772 E C 1.816 178.421 176.600 0.008 0.000 0.975 772 E CA 0.298 56.700 56.400 0.004 0.000 0.813 772 E CB 0.003 29.704 29.700 0.003 0.000 0.768 772 E HN 0.434 nan 8.360 nan 0.000 0.457 773 N N 1.139 119.842 118.700 0.004 0.000 2.049 773 N HA -0.222 4.530 4.740 0.020 0.000 0.198 773 N C 2.000 177.516 175.510 0.010 0.000 1.030 773 N CA 1.297 54.350 53.050 0.005 0.000 0.870 773 N CB -0.232 38.255 38.487 0.001 0.000 1.045 773 N HN 0.138 nan 8.380 nan 0.000 0.434 774 L N 0.811 122.040 121.223 0.010 0.000 2.046 774 L HA -0.168 4.183 4.340 0.020 0.000 0.208 774 L C 2.062 178.952 176.870 0.033 0.000 1.077 774 L CA 0.964 55.814 54.840 0.018 0.000 0.747 774 L CB -0.380 41.689 42.059 0.016 0.000 0.896 774 L HN 0.139 nan 8.230 nan 0.000 0.432 775 Q N 0.487 120.309 119.800 0.037 0.000 2.576 775 Q HA -0.053 4.299 4.340 0.020 0.000 0.219 775 Q C 0.222 176.246 176.000 0.039 0.000 0.976 775 Q CA 0.388 56.220 55.803 0.048 0.000 0.977 775 Q CB -0.225 28.538 28.738 0.042 0.000 0.988 775 Q HN 0.463 nan 8.270 nan 0.000 0.555 776 N N -1.945 116.774 118.700 0.032 0.000 2.818 776 N HA 0.194 4.945 4.740 0.020 0.000 0.312 776 N C -0.201 175.326 175.510 0.029 0.000 1.368 776 N CA -0.320 52.746 53.050 0.027 0.000 0.817 776 N CB -0.059 38.440 38.487 0.020 0.000 1.116 776 N HN -0.204 nan 8.380 nan 0.000 0.519 777 S N 0.215 115.929 115.700 0.024 0.000 2.767 777 S HA 0.122 4.603 4.470 0.020 0.000 0.253 777 S C 0.178 174.793 174.600 0.025 0.000 1.082 777 S CA 0.043 58.258 58.200 0.024 0.000 1.148 777 S CB -0.356 62.856 63.200 0.020 0.000 0.808 777 S HN 0.322 nan 8.310 nan 0.000 0.466 778 Q N 0.226 120.042 119.800 0.026 0.000 2.243 778 Q HA 0.392 4.743 4.340 0.020 0.000 0.167 778 Q C 0.054 176.073 176.000 0.031 0.000 0.619 778 Q CA -0.716 55.102 55.803 0.025 0.000 0.745 778 Q CB -0.646 28.102 28.738 0.017 0.000 1.071 778 Q HN 0.356 nan 8.270 nan 0.000 0.502 779 L N 5.063 126.303 121.223 0.029 0.000 2.972 779 L HA -0.043 4.309 4.340 0.020 0.000 0.312 779 L C -2.272 174.631 176.870 0.056 0.000 1.169 779 L CA -0.406 54.456 54.840 0.037 0.000 0.873 779 L CB -0.299 41.792 42.059 0.053 0.000 1.237 779 L HN 0.209 nan 8.230 nan 0.000 0.510 780 P HA 0.040 nan 4.420 nan 0.000 0.272 780 P C 0.295 177.655 177.300 0.099 0.000 1.254 780 P CA -0.188 62.956 63.100 0.073 0.000 0.795 780 P CB 0.463 32.198 31.700 0.059 0.000 1.022 781 E N -0.131 120.121 120.200 0.087 0.000 2.017 781 E HA -0.074 4.288 4.350 0.020 0.000 0.193 781 E C 1.222 177.885 176.600 0.105 0.000 0.997 781 E CA 1.613 58.063 56.400 0.083 0.000 0.804 781 E CB -0.350 29.383 29.700 0.056 0.000 0.757 781 E HN 0.611 nan 8.360 nan 0.000 0.448 782 S N -0.504 115.247 115.700 0.085 0.000 2.841 782 S HA 0.650 5.132 4.470 0.020 0.000 0.274 782 S C -0.306 174.403 174.600 0.183 0.000 1.044 782 S CA -0.736 57.490 58.200 0.042 0.000 0.952 782 S CB 1.391 64.546 63.200 -0.074 0.000 1.331 782 S HN 0.309 nan 8.310 nan 0.000 0.610 783 F N -2.251 117.636 119.950 -0.104 0.000 2.691 783 F HA 0.408 4.947 4.527 0.019 0.000 0.313 783 F C -1.179 174.523 175.800 -0.162 0.000 1.054 783 F CA -1.193 56.732 58.000 -0.125 0.000 0.979 783 F CB 0.440 39.376 39.000 -0.106 0.000 1.249 783 F HN 0.586 nan 8.300 nan 0.000 0.492 784 R N 2.530 123.028 120.500 -0.003 0.000 2.538 784 R HA 0.412 4.764 4.340 0.020 0.000 0.282 784 R C -0.567 175.688 176.300 -0.076 0.000 1.009 784 R CA -0.511 55.516 56.100 -0.121 0.000 1.063 784 R CB 0.967 31.226 30.300 -0.068 0.000 0.945 784 R HN 0.543 nan 8.270 nan 0.000 0.414 785 V N 6.546 126.262 119.914 -0.331 0.000 2.529 785 V HA -0.005 4.127 4.120 0.020 0.000 0.292 785 V C -1.362 174.489 176.094 -0.406 0.000 1.028 785 V CA -0.957 61.087 62.300 -0.427 0.000 1.074 785 V CB 1.132 32.545 31.823 -0.683 0.000 0.958 785 V HN 0.680 nan 8.190 nan 0.000 0.481 786 P HA -0.120 nan 4.420 nan 0.000 0.217 786 P C 1.197 178.374 177.300 -0.206 0.000 1.150 786 P CA 1.259 64.176 63.100 -0.305 0.000 0.832 786 P CB -0.007 31.160 31.700 -0.889 0.000 0.787 787 Y N -2.092 118.153 120.300 -0.092 0.000 2.544 787 Y HA 0.282 4.843 4.550 0.020 0.000 0.286 787 Y C 0.259 176.217 175.900 0.096 0.000 1.141 787 Y CA -0.231 57.915 58.100 0.076 0.000 1.299 787 Y CB -0.773 37.718 38.460 0.052 0.000 1.030 787 Y HN -0.151 nan 8.280 nan 0.000 0.543 788 D N 1.406 121.722 120.400 -0.140 0.000 2.472 788 D HA 0.198 4.850 4.640 0.020 0.000 0.248 788 D C -2.299 173.794 176.300 -0.346 0.000 1.271 788 D CA -2.283 51.662 54.000 -0.092 0.000 0.888 788 D CB 1.275 42.100 40.800 0.042 0.000 1.337 788 D HN -0.050 nan 8.370 nan 0.000 0.526 789 P HA -0.049 nan 4.420 nan 0.000 0.223 789 P C 1.295 178.327 177.300 -0.445 0.000 1.144 789 P CA 0.623 63.269 63.100 -0.757 0.000 0.783 789 P CB 0.227 31.218 31.700 -1.182 0.000 0.771 790 G N -0.678 107.928 108.800 -0.324 0.000 2.744 790 G HA2 0.041 4.013 3.960 0.020 0.000 0.211 790 G HA3 0.041 4.013 3.960 0.020 0.000 0.211 790 G C 0.572 175.325 174.900 -0.245 0.000 1.143 790 G CA -0.041 44.913 45.100 -0.243 0.000 0.788 790 G HN 0.236 nan 8.290 nan 0.000 0.534 791 L N 1.083 122.150 121.223 -0.260 0.000 2.296 791 L HA 0.403 4.755 4.340 0.020 0.000 0.286 791 L C -0.385 176.303 176.870 -0.303 0.000 1.023 791 L CA -0.737 53.950 54.840 -0.255 0.000 0.812 791 L CB 1.927 43.843 42.059 -0.237 0.000 1.223 791 L HN -0.104 nan 8.230 nan 0.000 0.421 792 K N 3.275 123.506 120.400 -0.282 0.000 2.240 792 K HA 0.540 4.872 4.320 0.020 0.000 0.271 792 K C -0.425 175.928 176.600 -0.412 0.000 1.018 792 K CA -0.379 55.707 56.287 -0.335 0.000 0.874 792 K CB 2.139 34.501 32.500 -0.230 0.000 1.098 792 K HN 0.622 nan 8.250 nan 0.000 0.458 793 A N 2.721 125.105 122.820 -0.728 0.000 2.331 793 A HA 0.625 4.956 4.320 0.020 0.000 0.283 793 A C 0.598 177.853 177.584 -0.549 0.000 1.142 793 A CA -0.107 51.477 52.037 -0.755 0.000 0.812 793 A CB 0.916 19.098 19.000 -1.362 0.000 1.074 793 A HN 0.811 nan 8.150 nan 0.000 0.497 794 G N 0.521 109.220 108.800 -0.169 0.000 3.434 794 G HA2 0.556 4.528 3.960 0.020 0.000 0.197 794 G HA3 0.556 4.528 3.960 0.020 0.000 0.197 794 G C 0.576 175.574 174.900 0.165 0.000 1.559 794 G CA 0.169 45.264 45.100 -0.009 0.000 0.852 794 G HN 1.430 nan 8.290 nan 0.000 0.682 795 A N -0.503 122.399 122.820 0.137 0.000 2.498 795 A HA 0.501 4.832 4.320 0.020 0.000 0.239 795 A C 0.390 178.090 177.584 0.193 0.000 1.068 795 A CA -0.143 51.985 52.037 0.151 0.000 0.766 795 A CB -0.178 18.872 19.000 0.083 0.000 1.003 795 A HN 0.427 nan 8.150 nan 0.000 0.497 796 L N 1.027 122.329 121.223 0.130 0.000 2.416 796 L HA 0.384 4.735 4.340 0.020 0.000 0.212 796 L C 1.126 177.943 176.870 -0.088 0.000 1.200 796 L CA 0.997 55.765 54.840 -0.120 0.000 0.841 796 L CB 0.199 42.150 42.059 -0.179 0.000 1.299 796 L HN 0.773 nan 8.230 nan 0.000 0.538 797 A N -0.291 122.440 122.820 -0.149 0.000 3.297 797 A HA 0.379 4.711 4.320 0.020 0.000 0.304 797 A C 1.187 178.744 177.584 -0.046 0.000 0.963 797 A CA -0.449 51.553 52.037 -0.058 0.000 0.935 797 A CB -0.407 18.577 19.000 -0.027 0.000 1.093 797 A HN 0.578 nan 8.150 nan 0.000 0.480 798 I N 1.097 121.641 120.570 -0.043 0.000 2.181 798 I HA -0.459 3.723 4.170 0.020 0.000 0.240 798 I C 2.574 178.686 176.117 -0.009 0.000 1.006 798 I CA 2.706 63.989 61.300 -0.028 0.000 1.284 798 I CB -1.632 36.359 38.000 -0.014 0.000 0.990 798 I HN 0.841 nan 8.210 nan 0.000 0.408 799 E N 1.972 122.172 120.200 -0.001 0.000 2.132 799 E HA -0.325 4.037 4.350 0.020 0.000 0.218 799 E C 1.939 178.549 176.600 0.016 0.000 1.058 799 E CA 2.255 58.660 56.400 0.007 0.000 0.882 799 E CB -0.650 29.057 29.700 0.011 0.000 0.774 799 E HN 0.613 nan 8.360 nan 0.000 0.467 800 K N 0.191 120.612 120.400 0.035 0.000 2.262 800 K HA 0.124 4.456 4.320 0.020 0.000 0.200 800 K C 0.792 177.469 176.600 0.127 0.000 1.049 800 K CA 0.513 56.845 56.287 0.075 0.000 0.979 800 K CB 0.072 32.645 32.500 0.121 0.000 0.773 800 K HN 0.147 nan 8.250 nan 0.000 0.474 801 C N 2.840 122.206 119.300 0.109 0.000 2.657 801 C HA 0.165 4.637 4.460 0.020 0.000 0.420 801 C C 0.390 175.454 174.990 0.122 0.000 1.323 801 C CA -0.422 58.690 59.018 0.157 0.000 1.894 801 C CB -0.644 27.118 27.740 0.037 0.000 2.681 801 C HN 0.367 nan 8.230 nan 0.000 0.613 802 K N 1.175 121.682 120.400 0.179 0.000 2.533 802 K HA 0.692 5.023 4.320 0.020 0.000 0.272 802 K C -1.723 174.955 176.600 0.130 0.000 0.985 802 K CA -0.748 55.596 56.287 0.096 0.000 0.876 802 K CB 1.589 34.091 32.500 0.004 0.000 1.452 802 K HN 0.305 nan 8.250 nan 0.000 0.439 803 V N 2.554 122.515 119.914 0.078 0.000 2.398 803 V HA 0.377 4.509 4.120 0.020 0.000 0.286 803 V C -0.127 176.007 176.094 0.066 0.000 1.026 803 V CA -0.699 61.652 62.300 0.085 0.000 0.868 803 V CB 1.234 33.090 31.823 0.055 0.000 0.982 803 V HN 0.642 nan 8.190 nan 0.000 0.443 804 M N 3.035 122.689 119.600 0.090 0.000 2.283 804 M HA 0.556 5.048 4.480 0.020 0.000 0.314 804 M C 0.550 176.871 176.300 0.035 0.000 1.153 804 M CA -0.430 54.907 55.300 0.061 0.000 1.084 804 M CB 1.134 33.795 32.600 0.103 0.000 1.468 804 M HN 0.638 nan 8.290 nan 0.000 0.474 805 A N 1.686 124.513 122.820 0.011 0.000 3.215 805 A HA 0.389 4.720 4.320 0.020 0.000 0.269 805 A C 0.073 177.655 177.584 -0.004 0.000 1.517 805 A CA -0.194 51.843 52.037 -0.000 0.000 1.221 805 A CB -0.372 18.619 19.000 -0.014 0.000 1.160 805 A HN 0.696 nan 8.150 nan 0.000 0.620 806 S N -0.334 115.371 115.700 0.009 0.000 2.758 806 S HA 0.438 4.919 4.470 0.020 0.000 0.292 806 S C 1.307 175.910 174.600 0.004 0.000 1.131 806 S CA -0.485 57.715 58.200 -0.001 0.000 0.997 806 S CB 0.848 64.057 63.200 0.014 0.000 1.111 806 S HN 0.481 nan 8.310 nan 0.000 0.552 807 K N 1.329 121.729 120.400 0.000 0.000 2.001 807 K HA -0.044 4.287 4.320 0.020 0.000 0.214 807 K C 0.706 177.325 176.600 0.032 0.000 1.050 807 K CA 1.500 57.793 56.287 0.011 0.000 0.934 807 K CB -0.328 32.181 32.500 0.015 0.000 0.718 807 K HN 0.522 nan 8.250 nan 0.000 0.443 808 K N 1.280 121.710 120.400 0.051 0.000 2.118 808 K HA 0.144 4.476 4.320 0.020 0.000 0.240 808 K C -0.150 176.490 176.600 0.066 0.000 1.035 808 K CA -0.193 56.139 56.287 0.075 0.000 0.899 808 K CB 0.332 32.900 32.500 0.114 0.000 1.085 808 K HN -0.182 nan 8.250 nan 0.000 0.498 809 K N 1.794 122.239 120.400 0.076 0.000 2.533 809 K HA 0.286 4.618 4.320 0.020 0.000 0.207 809 K C -2.445 174.215 176.600 0.101 0.000 1.052 809 K CA -1.783 54.547 56.287 0.071 0.000 1.030 809 K CB 0.929 33.458 32.500 0.049 0.000 1.522 809 K HN 0.481 nan 8.250 nan 0.000 0.543 810 P HA 0.143 nan 4.420 nan 0.000 0.275 810 P C -0.212 177.196 177.300 0.180 0.000 1.228 810 P CA -0.690 62.507 63.100 0.161 0.000 0.786 810 P CB 0.808 32.599 31.700 0.151 0.000 0.927 811 L N 2.726 124.081 121.223 0.221 0.000 2.375 811 L HA 0.316 4.667 4.340 0.020 0.000 0.271 811 L C 0.171 177.221 176.870 0.300 0.000 1.107 811 L CA -0.114 54.864 54.840 0.229 0.000 0.806 811 L CB -0.093 42.081 42.059 0.193 0.000 1.146 811 L HN 0.525 nan 8.230 nan 0.000 0.447 812 W N 6.504 127.864 121.300 0.100 0.000 2.351 812 W HA 0.420 5.092 4.660 0.020 0.000 0.320 812 W C -1.666 174.900 176.519 0.077 0.000 0.947 812 W CA -0.772 56.632 57.345 0.098 0.000 1.565 812 W CB 0.531 30.027 29.460 0.060 0.000 1.409 812 W HN 0.318 nan 8.180 nan 0.000 0.399 813 L N 4.648 125.913 121.223 0.069 0.000 2.375 813 L HA 0.517 4.868 4.340 0.020 0.000 0.268 813 L C 0.299 177.090 176.870 -0.132 0.000 1.058 813 L CA -0.557 54.276 54.840 -0.013 0.000 0.803 813 L CB 1.540 43.611 42.059 0.019 0.000 1.212 813 L HN 0.212 nan 8.230 nan 0.000 0.451 814 E N 1.196 121.230 120.200 -0.276 0.000 2.340 814 E HA 0.599 4.961 4.350 0.020 0.000 0.273 814 E C -1.691 174.654 176.600 -0.424 0.000 0.891 814 E CA -0.608 55.695 56.400 -0.161 0.000 0.757 814 E CB 2.761 32.489 29.700 0.047 0.000 1.231 814 E HN 0.201 nan 8.360 nan 0.000 0.439 815 F N 0.518 120.498 119.950 0.050 0.000 2.620 815 F HA 0.435 4.974 4.527 0.020 0.000 0.320 815 F C 0.118 175.919 175.800 0.001 0.000 1.069 815 F CA -1.057 56.958 58.000 0.026 0.000 0.953 815 F CB 1.579 40.574 39.000 -0.009 0.000 1.322 815 F HN 0.177 nan 8.300 nan 0.000 0.479 816 K N 0.527 121.037 120.400 0.183 0.000 2.118 816 K HA 0.454 4.785 4.320 0.020 0.000 0.267 816 K C -0.737 175.886 176.600 0.039 0.000 0.991 816 K CA -0.516 55.824 56.287 0.089 0.000 0.916 816 K CB 1.185 33.720 32.500 0.059 0.000 1.041 816 K HN 0.808 nan 8.250 nan 0.000 0.455 817 C N 4.361 123.663 119.300 0.004 0.000 2.638 817 C HA 0.227 4.699 4.460 0.020 0.000 0.410 817 C C 1.589 176.545 174.990 -0.057 0.000 1.404 817 C CA 0.064 59.051 59.018 -0.052 0.000 1.651 817 C CB -1.195 26.517 27.740 -0.048 0.000 2.495 817 C HN 0.894 nan 8.230 nan 0.000 0.606 818 A N 3.918 126.680 122.820 -0.096 0.000 2.172 818 A HA 0.020 4.351 4.320 0.020 0.000 0.216 818 A C 0.933 178.479 177.584 -0.064 0.000 1.154 818 A CA 0.985 52.977 52.037 -0.075 0.000 0.701 818 A CB -0.292 18.645 19.000 -0.105 0.000 0.789 818 A HN 0.927 nan 8.150 nan 0.000 0.465 819 D N -0.789 119.564 120.400 -0.078 0.000 2.280 819 D HA 0.339 4.991 4.640 0.020 0.000 0.243 819 D C -1.858 174.409 176.300 -0.056 0.000 1.129 819 D CA -2.204 51.751 54.000 -0.075 0.000 0.848 819 D CB 1.453 42.189 40.800 -0.107 0.000 1.107 819 D HN -0.040 nan 8.370 nan 0.000 0.471 820 P HA -0.081 nan 4.420 nan 0.000 0.218 820 P C 1.036 178.316 177.300 -0.033 0.000 1.149 820 P CA 1.181 64.264 63.100 -0.028 0.000 0.817 820 P CB 0.035 31.724 31.700 -0.019 0.000 0.785 821 T N -3.340 111.184 114.554 -0.050 0.000 3.163 821 T HA 0.225 4.587 4.350 0.020 0.000 0.260 821 T C 0.913 175.563 174.700 -0.083 0.000 1.156 821 T CA -0.047 62.016 62.100 -0.061 0.000 1.072 821 T CB -0.942 67.875 68.868 -0.084 0.000 0.937 821 T HN 0.062 nan 8.240 nan 0.000 0.528 822 A N 2.270 125.049 122.820 -0.068 0.000 2.522 822 A HA 0.452 4.784 4.320 0.020 0.000 0.256 822 A C 1.489 179.045 177.584 -0.047 0.000 1.086 822 A CA -0.606 51.395 52.037 -0.060 0.000 0.763 822 A CB -0.197 18.779 19.000 -0.040 0.000 1.024 822 A HN 0.476 nan 8.150 nan 0.000 0.502 823 L N 2.942 124.129 121.223 -0.059 0.000 2.079 823 L HA -0.007 4.345 4.340 0.020 0.000 0.210 823 L C 1.403 178.267 176.870 -0.009 0.000 1.081 823 L CA 1.967 56.770 54.840 -0.061 0.000 0.752 823 L CB -1.809 40.202 42.059 -0.081 0.000 0.896 823 L HN 0.571 nan 8.230 nan 0.000 0.433 824 S N -0.993 114.716 115.700 0.015 0.000 2.667 824 S HA 0.445 4.927 4.470 0.020 0.000 0.292 824 S C 0.587 175.202 174.600 0.026 0.000 1.108 824 S CA -0.579 57.640 58.200 0.031 0.000 0.992 824 S CB 0.761 63.994 63.200 0.054 0.000 1.269 824 S HN 0.423 nan 8.310 nan 0.000 0.528 825 N N 0.353 119.075 118.700 0.036 0.000 2.142 825 N HA 0.159 4.910 4.740 0.020 0.000 0.233 825 N C -1.202 174.337 175.510 0.048 0.000 1.335 825 N CA 0.033 53.104 53.050 0.035 0.000 0.837 825 N CB 0.717 39.222 38.487 0.030 0.000 1.238 825 N HN 0.576 nan 8.380 nan 0.000 0.501 826 E N 1.839 122.075 120.200 0.059 0.000 2.452 826 E HA -0.016 4.345 4.350 0.020 0.000 0.261 826 E C 0.607 177.254 176.600 0.078 0.000 0.987 826 E CA 0.437 56.881 56.400 0.074 0.000 0.926 826 E CB 0.626 30.377 29.700 0.084 0.000 0.934 826 E HN 0.186 nan 8.360 nan 0.000 0.452 827 T N 0.356 114.966 114.554 0.092 0.000 2.795 827 T HA 0.186 4.547 4.350 0.020 0.000 0.314 827 T C 0.454 175.223 174.700 0.115 0.000 1.069 827 T CA -0.465 61.699 62.100 0.107 0.000 1.071 827 T CB 0.379 69.317 68.868 0.117 0.000 0.988 827 T HN 0.269 nan 8.240 nan 0.000 0.543 828 I N 1.473 122.130 120.570 0.145 0.000 2.325 828 I HA 0.466 4.648 4.170 0.020 0.000 0.291 828 I C 1.007 177.252 176.117 0.213 0.000 1.019 828 I CA -0.484 60.906 61.300 0.151 0.000 1.302 828 I CB 0.926 38.981 38.000 0.091 0.000 1.401 828 I HN 0.883 nan 8.210 nan 0.000 0.485 829 G N 7.627 116.495 108.800 0.112 0.000 2.370 829 G HA2 0.748 4.720 3.960 0.020 0.000 0.317 829 G HA3 0.748 4.720 3.960 0.020 0.000 0.317 829 G C -0.695 174.182 174.900 -0.038 0.000 1.162 829 G CA -0.366 44.714 45.100 -0.034 0.000 0.922 829 G HN 0.500 nan 8.290 nan 0.000 0.454 830 I N 2.532 123.116 120.570 0.023 0.000 2.533 830 I HA 0.365 4.547 4.170 0.020 0.000 0.290 830 I C -0.249 175.870 176.117 0.004 0.000 1.056 830 I CA -0.807 60.548 61.300 0.091 0.000 1.057 830 I CB 2.463 40.655 38.000 0.320 0.000 1.240 830 I HN 0.219 nan 8.210 nan 0.000 0.423 831 I N 4.687 125.210 120.570 -0.079 0.000 2.499 831 I HA 0.319 4.500 4.170 0.020 0.000 0.296 831 I C -0.955 175.178 176.117 0.027 0.000 0.992 831 I CA -0.266 61.036 61.300 0.004 0.000 1.297 831 I CB 1.080 39.062 38.000 -0.029 0.000 1.410 831 I HN 0.344 nan 8.210 nan 0.000 0.507 832 F N 5.241 125.241 119.950 0.084 0.000 2.477 832 F HA 0.468 5.007 4.527 0.020 0.000 0.335 832 F C 0.043 175.904 175.800 0.101 0.000 1.130 832 F CA -0.545 57.513 58.000 0.097 0.000 0.948 832 F CB 1.485 40.548 39.000 0.105 0.000 1.154 832 F HN 0.266 nan 8.300 nan 0.000 0.439 833 K N 3.129 123.663 120.400 0.224 0.000 2.464 833 K HA 0.362 4.694 4.320 0.020 0.000 0.253 833 K C -1.876 174.851 176.600 0.211 0.000 0.933 833 K CA -0.771 55.634 56.287 0.196 0.000 0.801 833 K CB 1.945 34.520 32.500 0.126 0.000 1.271 833 K HN 0.862 nan 8.250 nan 0.000 0.430 834 H N 0.493 119.634 119.070 0.117 0.000 2.529 834 H HA 0.483 5.051 4.556 0.020 0.000 0.348 834 H C 0.580 175.956 175.328 0.079 0.000 1.152 834 H CA 1.021 57.128 56.048 0.098 0.000 1.202 834 H CB 1.816 31.634 29.762 0.093 0.000 1.562 834 H HN 0.817 nan 8.280 nan 0.000 0.515 835 G N 3.408 112.011 108.800 -0.329 0.000 2.231 835 G HA2 -0.191 3.780 3.960 0.020 0.000 0.206 835 G HA3 -0.191 3.780 3.960 0.020 0.000 0.206 835 G C -0.704 174.166 174.900 -0.050 0.000 0.996 835 G CA 0.045 45.088 45.100 -0.096 0.000 0.645 835 G HN 0.650 nan 8.290 nan 0.000 0.498 836 D N 1.001 121.377 120.400 -0.040 0.000 2.278 836 D HA 0.472 5.123 4.640 0.020 0.000 0.245 836 D C -0.915 175.374 176.300 -0.018 0.000 1.052 836 D CA -0.349 53.652 54.000 0.001 0.000 0.834 836 D CB 1.753 42.580 40.800 0.044 0.000 1.194 836 D HN 0.119 nan 8.370 nan 0.000 0.481 837 D N 2.119 122.517 120.400 -0.004 0.000 2.342 837 D HA 0.001 4.653 4.640 0.020 0.000 0.260 837 D C 0.581 176.894 176.300 0.022 0.000 1.278 837 D CA -0.289 53.712 54.000 0.002 0.000 0.910 837 D CB 0.544 41.348 40.800 0.006 0.000 1.079 837 D HN 0.049 nan 8.370 nan 0.000 0.496 838 L N 4.110 125.347 121.223 0.023 0.000 2.610 838 L HA 0.138 4.490 4.340 0.020 0.000 0.232 838 L C 2.217 179.102 176.870 0.024 0.000 1.149 838 L CA 0.513 55.376 54.840 0.038 0.000 0.872 838 L CB -0.540 41.542 42.059 0.038 0.000 0.992 838 L HN 0.424 nan 8.230 nan 0.000 0.447 839 R N -0.692 119.811 120.500 0.005 0.000 2.083 839 R HA -0.208 4.143 4.340 0.020 0.000 0.237 839 R C 2.045 178.325 176.300 -0.034 0.000 1.137 839 R CA 1.605 57.690 56.100 -0.026 0.000 0.951 839 R CB -0.297 29.981 30.300 -0.036 0.000 0.851 839 R HN 0.462 nan 8.270 nan 0.000 0.434 840 Q N 0.500 120.295 119.800 -0.009 0.000 2.096 840 Q HA -0.194 4.158 4.340 0.020 0.000 0.204 840 Q C 1.543 177.554 176.000 0.017 0.000 0.982 840 Q CA 2.058 57.859 55.803 -0.003 0.000 0.850 840 Q CB -0.090 28.664 28.738 0.027 0.000 0.901 840 Q HN 0.398 nan 8.270 nan 0.000 0.422 841 D N -0.105 120.334 120.400 0.066 0.000 2.117 841 D HA -0.141 4.511 4.640 0.020 0.000 0.198 841 D C 1.723 178.022 176.300 -0.003 0.000 0.982 841 D CA 1.101 55.169 54.000 0.112 0.000 0.828 841 D CB 0.009 40.920 40.800 0.184 0.000 0.967 841 D HN 0.190 nan 8.370 nan 0.000 0.464 842 M N -0.160 119.424 119.600 -0.027 0.000 2.106 842 M HA -0.171 4.320 4.480 0.020 0.000 0.259 842 M C 1.679 177.893 176.300 -0.144 0.000 1.068 842 M CA 0.947 56.197 55.300 -0.083 0.000 1.100 842 M CB -0.173 32.376 32.600 -0.085 0.000 1.351 842 M HN 0.094 nan 8.290 nan 0.000 0.404 843 L N 0.235 121.376 121.223 -0.137 0.000 2.056 843 L HA -0.155 4.196 4.340 0.020 0.000 0.207 843 L C 2.287 179.058 176.870 -0.166 0.000 1.078 843 L CA 1.560 56.307 54.840 -0.154 0.000 0.749 843 L CB -0.803 41.178 42.059 -0.130 0.000 0.901 843 L HN 0.246 nan 8.230 nan 0.000 0.433 844 I N -1.217 119.241 120.570 -0.188 0.000 2.179 844 I HA -0.245 3.936 4.170 0.020 0.000 0.242 844 I C 2.365 178.266 176.117 -0.361 0.000 1.088 844 I CA 0.955 62.072 61.300 -0.305 0.000 1.357 844 I CB -1.166 36.541 38.000 -0.488 0.000 1.051 844 I HN 0.170 nan 8.210 nan 0.000 0.409 845 L N 0.360 121.388 121.223 -0.325 0.000 2.042 845 L HA -0.213 4.139 4.340 0.020 0.000 0.210 845 L C 2.566 179.302 176.870 -0.224 0.000 1.076 845 L CA 1.681 56.345 54.840 -0.293 0.000 0.749 845 L CB -1.577 40.319 42.059 -0.273 0.000 0.893 845 L HN 0.312 nan 8.230 nan 0.000 0.432 846 Q N -0.462 119.220 119.800 -0.197 0.000 2.187 846 Q HA -0.056 4.296 4.340 0.020 0.000 0.199 846 Q C 2.175 178.080 176.000 -0.158 0.000 0.957 846 Q CA 1.137 56.837 55.803 -0.171 0.000 0.857 846 Q CB -0.064 28.569 28.738 -0.175 0.000 0.929 846 Q HN 0.453 nan 8.270 nan 0.000 0.453 847 I N -0.066 120.406 120.570 -0.163 0.000 2.264 847 I HA -0.257 3.924 4.170 0.020 0.000 0.248 847 I C 1.575 177.567 176.117 -0.209 0.000 1.111 847 I CA 0.707 61.914 61.300 -0.155 0.000 1.382 847 I CB -0.418 37.505 38.000 -0.129 0.000 1.060 847 I HN 0.266 nan 8.210 nan 0.000 0.418 848 L N 0.691 121.776 121.223 -0.230 0.000 2.017 848 L HA -0.158 4.193 4.340 0.020 0.000 0.208 848 L C 2.642 179.380 176.870 -0.221 0.000 1.073 848 L CA 1.733 56.424 54.840 -0.249 0.000 0.745 848 L CB -0.900 41.024 42.059 -0.225 0.000 0.894 848 L HN 0.130 nan 8.230 nan 0.000 0.432 849 R N -0.791 119.617 120.500 -0.153 0.000 2.105 849 R HA -0.134 4.217 4.340 0.020 0.000 0.239 849 R C 2.263 178.519 176.300 -0.073 0.000 1.135 849 R CA 1.341 57.396 56.100 -0.076 0.000 0.967 849 R CB -0.421 29.845 30.300 -0.056 0.000 0.861 849 R HN 0.340 nan 8.270 nan 0.000 0.442 850 I N 0.258 120.739 120.570 -0.149 0.000 2.315 850 I HA -0.263 3.918 4.170 0.020 0.000 0.248 850 I C 2.310 178.186 176.117 -0.402 0.000 1.117 850 I CA 1.224 62.370 61.300 -0.257 0.000 1.404 850 I CB -0.089 37.787 38.000 -0.206 0.000 1.071 850 I HN 0.190 nan 8.210 nan 0.000 0.419 851 M N -0.121 119.184 119.600 -0.491 0.000 2.132 851 M HA -0.188 4.304 4.480 0.020 0.000 0.263 851 M C 2.135 177.830 176.300 -1.010 0.000 1.065 851 M CA 1.670 56.438 55.300 -0.887 0.000 1.122 851 M CB -0.369 31.623 32.600 -1.013 0.000 1.365 851 M HN 0.146 nan 8.290 nan 0.000 0.411 852 E N -0.521 119.364 120.200 -0.525 0.000 2.160 852 E HA -0.172 4.190 4.350 0.020 0.000 0.195 852 E C 2.078 178.627 176.600 -0.086 0.000 0.991 852 E CA 1.196 57.519 56.400 -0.128 0.000 0.810 852 E CB -0.144 29.563 29.700 0.012 0.000 0.742 852 E HN 0.359 nan 8.360 nan 0.000 0.466 853 S N 0.384 115.960 115.700 -0.206 0.000 2.395 853 S HA -0.023 4.459 4.470 0.020 0.000 0.225 853 S C 1.957 176.410 174.600 -0.246 0.000 1.027 853 S CA 0.287 58.351 58.200 -0.227 0.000 0.965 853 S CB 0.021 62.907 63.200 -0.524 0.000 0.812 853 S HN 0.159 nan 8.310 nan 0.000 0.482 854 I N 0.199 120.533 120.570 -0.394 0.000 2.315 854 I HA -0.164 4.018 4.170 0.020 0.000 0.248 854 I C 1.897 177.922 176.117 -0.154 0.000 1.117 854 I CA 0.863 61.905 61.300 -0.430 0.000 1.404 854 I CB -0.258 37.325 38.000 -0.694 0.000 1.071 854 I HN 0.424 nan 8.210 nan 0.000 0.419 855 W N 1.091 122.327 121.300 -0.107 0.000 2.436 855 W HA -0.113 4.558 4.660 0.019 0.000 0.284 855 W C 2.459 178.993 176.519 0.025 0.000 1.225 855 W CA 0.840 58.154 57.345 -0.052 0.000 1.271 855 W CB -0.904 28.512 29.460 -0.074 0.000 1.114 855 W HN 0.302 nan 8.180 nan 0.000 0.559 856 E N 0.580 120.926 120.200 0.243 0.000 2.153 856 E HA -0.207 4.155 4.350 0.020 0.000 0.194 856 E C 2.089 178.790 176.600 0.169 0.000 0.988 856 E CA 2.218 58.767 56.400 0.249 0.000 0.811 856 E CB -0.054 29.753 29.700 0.178 0.000 0.746 856 E HN 0.167 nan 8.360 nan 0.000 0.466 857 T N -1.049 113.574 114.554 0.115 0.000 2.881 857 T HA -0.123 4.238 4.350 0.020 0.000 0.270 857 T C 1.174 175.955 174.700 0.134 0.000 1.068 857 T CA 1.183 63.345 62.100 0.104 0.000 1.131 857 T CB -0.094 68.840 68.868 0.110 0.000 0.871 857 T HN 0.179 nan 8.240 nan 0.000 0.479 858 E N 0.976 121.280 120.200 0.173 0.000 2.496 858 E HA 0.305 4.666 4.350 0.020 0.000 0.200 858 E C 0.155 176.856 176.600 0.168 0.000 1.016 858 E CA -0.123 56.374 56.400 0.163 0.000 0.962 858 E CB 0.268 30.073 29.700 0.175 0.000 1.071 858 E HN 0.451 nan 8.360 nan 0.000 0.457 859 S N 0.491 116.320 115.700 0.215 0.000 3.521 859 S HA -0.180 4.301 4.470 0.020 0.000 0.328 859 S C 0.167 174.980 174.600 0.354 0.000 1.165 859 S CA 0.485 58.873 58.200 0.314 0.000 0.941 859 S CB -1.489 61.834 63.200 0.206 0.000 0.951 859 S HN 0.371 nan 8.310 nan 0.000 0.539 860 L N 1.460 122.827 121.223 0.239 0.000 2.317 860 L HA 0.533 4.884 4.340 0.020 0.000 0.281 860 L C 0.068 176.892 176.870 -0.076 0.000 1.024 860 L CA -0.456 54.404 54.840 0.034 0.000 0.810 860 L CB 1.216 43.222 42.059 -0.088 0.000 1.240 860 L HN 0.059 nan 8.230 nan 0.000 0.427 861 D N 3.849 124.068 120.400 -0.302 0.000 2.438 861 D HA 0.162 4.814 4.640 0.020 0.000 0.257 861 D C 0.406 176.635 176.300 -0.117 0.000 1.148 861 D CA -0.391 53.414 54.000 -0.324 0.000 0.902 861 D CB 1.300 41.662 40.800 -0.729 0.000 1.062 861 D HN 0.291 nan 8.370 nan 0.000 0.518 862 L N 2.043 123.198 121.223 -0.114 0.000 2.627 862 L HA 0.068 4.419 4.340 0.020 0.000 0.233 862 L C 1.102 177.969 176.870 -0.005 0.000 1.144 862 L CA 0.264 55.001 54.840 -0.172 0.000 0.892 862 L CB -1.451 40.214 42.059 -0.657 0.000 1.039 862 L HN 0.615 nan 8.230 nan 0.000 0.442 863 C N -0.305 119.010 119.300 0.025 0.000 4.397 863 C HA -0.195 4.276 4.460 0.020 0.000 0.291 863 C C 1.427 176.497 174.990 0.133 0.000 1.408 863 C CA -0.512 58.537 59.018 0.052 0.000 1.971 863 C CB -3.013 24.754 27.740 0.045 0.000 1.258 863 C HN 0.358 nan 8.230 nan 0.000 0.795 864 L N -0.332 120.964 121.223 0.123 0.000 2.492 864 L HA 0.170 4.522 4.340 0.020 0.000 0.280 864 L C 0.511 177.524 176.870 0.238 0.000 1.240 864 L CA 0.253 55.190 54.840 0.161 0.000 0.831 864 L CB 0.087 42.105 42.059 -0.068 0.000 1.100 864 L HN 0.112 nan 8.230 nan 0.000 0.505 865 L N 4.026 125.485 121.223 0.394 0.000 2.435 865 L HA 0.305 4.657 4.340 0.020 0.000 0.253 865 L C -1.988 175.039 176.870 0.262 0.000 1.087 865 L CA -1.186 53.766 54.840 0.186 0.000 0.950 865 L CB 0.704 42.681 42.059 -0.137 0.000 1.304 865 L HN 0.309 nan 8.230 nan 0.000 0.453 866 P HA 0.091 nan 4.420 nan 0.000 0.252 866 P C -0.671 176.569 177.300 -0.100 0.000 1.727 866 P CA -0.318 62.767 63.100 -0.026 0.000 1.134 866 P CB -0.555 31.107 31.700 -0.063 0.000 1.876 867 Y N 0.432 120.749 120.300 0.029 0.000 2.357 867 Y HA 0.502 5.064 4.550 0.020 0.000 0.340 867 Y C 1.127 176.961 175.900 -0.110 0.000 1.260 867 Y CA -1.126 56.929 58.100 -0.075 0.000 1.425 867 Y CB -0.343 38.050 38.460 -0.112 0.000 1.326 867 Y HN 0.305 nan 8.280 nan 0.000 0.580 868 G N 0.091 108.824 108.800 -0.112 0.000 2.414 868 G HA2 0.266 4.238 3.960 0.020 0.000 0.236 868 G HA3 0.266 4.238 3.960 0.020 0.000 0.236 868 G C -1.143 173.657 174.900 -0.165 0.000 1.293 868 G CA -0.088 44.874 45.100 -0.230 0.000 0.869 868 G HN 1.057 nan 8.290 nan 0.000 0.556 869 C N 3.946 123.242 119.300 -0.008 0.000 2.752 869 C HA 0.598 5.070 4.460 0.020 0.000 0.360 869 C C -1.190 173.864 174.990 0.107 0.000 1.081 869 C CA -0.976 58.069 59.018 0.046 0.000 1.272 869 C CB 0.366 28.131 27.740 0.043 0.000 1.754 869 C HN 0.597 nan 8.230 nan 0.000 0.483 870 I N 5.350 125.966 120.570 0.077 0.000 2.468 870 I HA 0.293 4.475 4.170 0.020 0.000 0.285 870 I C 0.478 176.595 176.117 -0.001 0.000 1.039 870 I CA 0.220 61.554 61.300 0.057 0.000 1.074 870 I CB 1.685 39.637 38.000 -0.081 0.000 1.228 870 I HN 0.803 nan 8.210 nan 0.000 0.436 871 S N 4.095 119.834 115.700 0.066 0.000 2.562 871 S HA 0.292 4.774 4.470 0.020 0.000 0.281 871 S C 0.942 175.604 174.600 0.104 0.000 1.333 871 S CA 0.340 58.578 58.200 0.063 0.000 1.052 871 S CB 0.364 63.605 63.200 0.068 0.000 0.884 871 S HN 0.769 nan 8.310 nan 0.000 0.506 872 T N 0.962 115.580 114.554 0.107 0.000 3.144 872 T HA 0.590 4.952 4.350 0.020 0.000 0.290 872 T C 0.537 175.352 174.700 0.192 0.000 0.966 872 T CA 0.095 62.325 62.100 0.216 0.000 0.907 872 T CB 0.083 69.059 68.868 0.181 0.000 1.152 872 T HN 1.172 nan 8.240 nan 0.000 0.532 873 G N 0.614 109.490 108.800 0.126 0.000 2.315 873 G HA2 0.359 4.331 3.960 0.020 0.000 0.294 873 G HA3 0.359 4.331 3.960 0.020 0.000 0.294 873 G C -2.167 172.779 174.900 0.077 0.000 1.300 873 G CA -0.837 44.327 45.100 0.107 0.000 0.843 873 G HN 0.073 nan 8.290 nan 0.000 0.527 874 D N 0.895 121.340 120.400 0.075 0.000 2.451 874 D HA 0.192 4.844 4.640 0.020 0.000 0.254 874 D C 1.057 177.354 176.300 -0.005 0.000 1.204 874 D CA 0.601 54.631 54.000 0.049 0.000 0.896 874 D CB 0.266 41.108 40.800 0.070 0.000 1.136 874 D HN 0.540 nan 8.370 nan 0.000 0.499 875 K N 1.677 122.052 120.400 -0.042 0.000 3.130 875 K HA -0.223 4.109 4.320 0.020 0.000 0.282 875 K C -0.054 176.447 176.600 -0.166 0.000 1.145 875 K CA 0.635 56.839 56.287 -0.139 0.000 0.831 875 K CB -1.408 30.927 32.500 -0.274 0.000 1.226 875 K HN 0.662 nan 8.250 nan 0.000 0.478 876 I N -1.932 118.621 120.570 -0.029 0.000 2.827 876 I HA 0.614 4.796 4.170 0.020 0.000 0.298 876 I C -0.140 176.018 176.117 0.068 0.000 1.235 876 I CA -0.092 61.237 61.300 0.049 0.000 1.021 876 I CB 2.227 40.316 38.000 0.149 0.000 1.259 876 I HN 0.140 nan 8.210 nan 0.000 0.427 877 G N 6.499 115.332 108.800 0.055 0.000 2.341 877 G HA2 0.359 4.331 3.960 0.020 0.000 0.299 877 G HA3 0.359 4.331 3.960 0.020 0.000 0.299 877 G C -1.647 173.129 174.900 -0.206 0.000 1.274 877 G CA -0.556 44.523 45.100 -0.034 0.000 0.853 877 G HN 0.754 nan 8.290 nan 0.000 0.493 878 M N -0.776 118.618 119.600 -0.344 0.000 2.724 878 M HA 0.898 5.390 4.480 0.020 0.000 0.310 878 M C -1.400 174.790 176.300 -0.182 0.000 1.217 878 M CA -0.913 54.080 55.300 -0.512 0.000 0.894 878 M CB 2.261 34.336 32.600 -0.875 0.000 1.719 878 M HN 0.440 nan 8.290 nan 0.000 0.479 879 I N 0.677 121.160 120.570 -0.145 0.000 2.686 879 I HA 0.312 4.494 4.170 0.020 0.000 0.295 879 I C -0.395 175.612 176.117 -0.183 0.000 1.114 879 I CA -0.632 60.616 61.300 -0.087 0.000 1.038 879 I CB 2.564 40.557 38.000 -0.011 0.000 1.238 879 I HN 0.854 nan 8.210 nan 0.000 0.420 880 E N 5.749 125.672 120.200 -0.463 0.000 2.398 880 E HA 0.288 4.650 4.350 0.020 0.000 0.263 880 E C -1.091 175.332 176.600 -0.297 0.000 1.046 880 E CA -0.265 55.797 56.400 -0.564 0.000 0.908 880 E CB 0.971 30.075 29.700 -0.993 0.000 0.963 880 E HN 0.411 nan 8.360 nan 0.000 0.431 881 I N 4.266 124.702 120.570 -0.224 0.000 2.336 881 I HA 0.131 4.312 4.170 0.020 0.000 0.292 881 I C -0.296 175.750 176.117 -0.119 0.000 0.991 881 I CA -0.913 60.243 61.300 -0.240 0.000 1.227 881 I CB 1.627 39.378 38.000 -0.415 0.000 1.366 881 I HN 0.327 nan 8.210 nan 0.000 0.466 882 V N 6.932 126.790 119.914 -0.093 0.000 2.614 882 V HA 0.155 4.287 4.120 0.020 0.000 0.291 882 V C 0.533 176.675 176.094 0.080 0.000 1.049 882 V CA -0.655 61.613 62.300 -0.054 0.000 1.038 882 V CB 0.803 32.492 31.823 -0.222 0.000 0.980 882 V HN 0.541 nan 8.190 nan 0.000 0.481 883 K N 2.515 122.967 120.400 0.086 0.000 2.237 883 K HA 0.215 4.546 4.320 0.020 0.000 0.270 883 K C 0.088 176.793 176.600 0.176 0.000 1.015 883 K CA -0.136 56.235 56.287 0.140 0.000 0.949 883 K CB 0.315 32.886 32.500 0.119 0.000 0.976 883 K HN 0.756 nan 8.250 nan 0.000 0.472 884 D N -0.604 119.916 120.400 0.201 0.000 2.746 884 D HA -0.186 4.466 4.640 0.020 0.000 0.236 884 D C -1.001 175.467 176.300 0.279 0.000 1.129 884 D CA 1.214 55.340 54.000 0.211 0.000 0.691 884 D CB -0.989 39.912 40.800 0.169 0.000 1.077 884 D HN 0.603 nan 8.370 nan 0.000 0.432 885 A N -0.051 122.942 122.820 0.288 0.000 2.374 885 A HA 0.774 5.105 4.320 0.020 0.000 0.305 885 A C 0.450 178.153 177.584 0.199 0.000 1.053 885 A CA -0.077 52.137 52.037 0.295 0.000 0.726 885 A CB 1.566 20.803 19.000 0.395 0.000 1.229 885 A HN 0.137 nan 8.150 nan 0.000 0.431 886 T N -0.825 113.782 114.554 0.089 0.000 2.940 886 T HA 0.693 5.055 4.350 0.020 0.000 0.288 886 T C 0.344 174.943 174.700 -0.168 0.000 1.045 886 T CA -0.547 61.533 62.100 -0.033 0.000 1.018 886 T CB 1.068 69.896 68.868 -0.067 0.000 1.151 886 T HN 0.513 nan 8.240 nan 0.000 0.529 887 T N 1.835 116.289 114.554 -0.167 0.000 2.903 887 T HA 0.134 4.496 4.350 0.020 0.000 0.314 887 T C 1.390 175.947 174.700 -0.237 0.000 1.078 887 T CA -0.601 61.377 62.100 -0.205 0.000 1.114 887 T CB 0.105 68.885 68.868 -0.147 0.000 0.987 887 T HN 0.439 nan 8.240 nan 0.000 0.548 888 I N 1.570 122.021 120.570 -0.199 0.000 2.394 888 I HA -0.072 4.109 4.170 0.020 0.000 0.251 888 I C 2.590 178.643 176.117 -0.106 0.000 1.136 888 I CA 0.952 62.170 61.300 -0.136 0.000 1.425 888 I CB -1.839 36.174 38.000 0.022 0.000 1.079 888 I HN 0.763 nan 8.210 nan 0.000 0.425 889 A N 0.406 123.170 122.820 -0.094 0.000 1.969 889 A HA -0.211 4.121 4.320 0.020 0.000 0.218 889 A C 2.402 179.969 177.584 -0.029 0.000 1.169 889 A CA 1.502 53.512 52.037 -0.045 0.000 0.635 889 A CB -0.418 18.575 19.000 -0.012 0.000 0.810 889 A HN 0.315 nan 8.150 nan 0.000 0.445 890 K N -0.238 120.119 120.400 -0.072 0.000 2.155 890 K HA 0.084 4.416 4.320 0.020 0.000 0.203 890 K C 1.628 178.182 176.600 -0.078 0.000 1.052 890 K CA 1.002 57.254 56.287 -0.059 0.000 0.948 890 K CB -0.232 32.225 32.500 -0.072 0.000 0.728 890 K HN 0.511 nan 8.250 nan 0.000 0.448 891 I N 0.766 121.234 120.570 -0.171 0.000 2.394 891 I HA -0.264 3.917 4.170 0.020 0.000 0.251 891 I C 2.224 178.302 176.117 -0.064 0.000 1.136 891 I CA 0.941 62.110 61.300 -0.218 0.000 1.425 891 I CB -0.192 37.526 38.000 -0.469 0.000 1.079 891 I HN 0.301 nan 8.210 nan 0.000 0.425 892 Q N 0.369 120.148 119.800 -0.035 0.000 2.020 892 Q HA -0.216 4.136 4.340 0.020 0.000 0.198 892 Q C 2.118 178.136 176.000 0.031 0.000 0.974 892 Q CA 1.179 56.993 55.803 0.019 0.000 0.829 892 Q CB -0.540 28.229 28.738 0.052 0.000 0.894 892 Q HN 0.494 nan 8.270 nan 0.000 0.433 893 Q N 0.480 120.303 119.800 0.039 0.000 2.443 893 Q HA -0.123 4.229 4.340 0.020 0.000 0.213 893 Q C 1.822 177.838 176.000 0.026 0.000 0.982 893 Q CA 1.088 56.915 55.803 0.041 0.000 0.894 893 Q CB 0.030 28.801 28.738 0.055 0.000 0.947 893 Q HN 0.195 nan 8.270 nan 0.000 0.480 894 S N -0.405 115.312 115.700 0.027 0.000 2.428 894 S HA -0.061 4.421 4.470 0.020 0.000 0.230 894 S C 1.319 175.944 174.600 0.042 0.000 1.014 894 S CA 1.450 59.675 58.200 0.042 0.000 0.957 894 S CB 0.032 63.273 63.200 0.069 0.000 0.784 894 S HN 0.596 nan 8.310 nan 0.000 0.499 895 T N -2.366 112.208 114.554 0.033 0.000 3.460 895 T HA 0.527 4.888 4.350 0.020 0.000 0.304 895 T C 0.303 174.998 174.700 -0.008 0.000 0.991 895 T CA -0.139 61.978 62.100 0.028 0.000 0.975 895 T CB 0.718 69.622 68.868 0.060 0.000 1.196 895 T HN 0.100 nan 8.240 nan 0.000 0.490 896 V N -0.465 119.435 119.914 -0.023 0.000 3.188 896 V HA 0.506 4.638 4.120 0.020 0.000 0.258 896 V C 1.240 177.299 176.094 -0.058 0.000 1.702 896 V CA 0.050 62.311 62.300 -0.066 0.000 1.020 896 V CB 0.384 32.140 31.823 -0.112 0.000 0.884 896 V HN 0.831 nan 8.190 nan 0.000 0.399 897 G N 2.897 111.685 108.800 -0.020 0.000 2.392 897 G HA2 -0.257 3.715 3.960 0.020 0.000 0.256 897 G HA3 -0.257 3.715 3.960 0.020 0.000 0.256 897 G C -0.067 174.840 174.900 0.011 0.000 0.920 897 G CA 0.451 45.551 45.100 0.000 0.000 1.316 897 G HN 0.891 nan 8.290 nan 0.000 0.416 898 N N -0.146 118.588 118.700 0.058 0.000 2.586 898 N HA -0.162 4.589 4.740 0.020 0.000 0.282 898 N C 0.967 176.554 175.510 0.128 0.000 1.171 898 N CA 1.925 55.069 53.050 0.156 0.000 0.733 898 N CB -0.900 37.671 38.487 0.140 0.000 0.910 898 N HN 0.745 nan 8.380 nan 0.000 0.548 899 T N -1.922 112.556 114.554 -0.127 0.000 3.705 899 T HA 0.514 4.876 4.350 0.020 0.000 0.267 899 T C 1.255 175.361 174.700 -0.991 0.000 0.954 899 T CA 0.463 62.360 62.100 -0.339 0.000 1.149 899 T CB 0.501 69.208 68.868 -0.267 0.000 1.118 899 T HN 0.805 nan 8.240 nan 0.000 0.414 900 G N 1.175 109.183 108.800 -1.320 0.000 2.296 900 G HA2 -0.015 3.957 3.960 0.020 0.000 0.188 900 G HA3 -0.015 3.957 3.960 0.020 0.000 0.188 900 G C 0.751 174.604 174.900 -1.746 0.000 1.000 900 G CA 0.173 44.025 45.100 -2.080 0.000 0.672 900 G HN 0.964 nan 8.290 nan 0.000 0.483 901 A N 0.950 123.194 122.820 -0.960 0.000 2.088 901 A HA 0.527 4.859 4.320 0.020 0.000 0.218 901 A C 0.704 177.907 177.584 -0.635 0.000 1.420 901 A CA -0.039 51.612 52.037 -0.644 0.000 1.371 901 A CB -1.382 17.390 19.000 -0.381 0.000 0.788 901 A HN 0.685 nan 8.150 nan 0.000 0.575 902 F N 0.414 119.960 119.950 -0.674 0.000 2.623 902 F HA -0.000 4.538 4.527 0.020 0.000 0.386 902 F C 1.044 176.351 175.800 -0.821 0.000 1.068 902 F CA 0.619 58.057 58.000 -0.936 0.000 1.265 902 F CB 0.454 38.371 39.000 -1.806 0.000 1.026 902 F HN 0.150 nan 8.300 nan 0.000 0.568 903 K N 3.253 123.490 120.400 -0.272 0.000 2.394 903 K HA 0.131 4.462 4.320 0.020 0.000 0.260 903 K C -0.193 176.408 176.600 0.000 0.000 0.967 903 K CA -0.753 55.455 56.287 -0.132 0.000 0.855 903 K CB 1.595 34.025 32.500 -0.117 0.000 1.101 903 K HN 0.489 nan 8.250 nan 0.000 0.433 904 D N 2.013 122.477 120.400 0.106 0.000 2.322 904 D HA -0.182 4.470 4.640 0.020 0.000 0.210 904 D C 0.470 176.610 176.300 -0.268 0.000 0.983 904 D CA 1.510 55.603 54.000 0.156 0.000 0.902 904 D CB 0.292 41.196 40.800 0.173 0.000 0.905 904 D HN 0.608 nan 8.370 nan 0.000 0.483 905 E N -0.490 119.418 120.200 -0.486 0.000 2.498 905 E HA 0.079 4.441 4.350 0.020 0.000 0.203 905 E C 1.671 178.144 176.600 -0.211 0.000 1.013 905 E CA -0.138 55.750 56.400 -0.853 0.000 0.927 905 E CB 0.785 29.960 29.700 -0.875 0.000 1.012 905 E HN 0.058 nan 8.360 nan 0.000 0.482 906 V N 1.300 121.193 119.914 -0.036 0.000 2.548 906 V HA -0.191 3.941 4.120 0.020 0.000 0.249 906 V C 2.107 178.316 176.094 0.192 0.000 1.055 906 V CA 1.278 63.642 62.300 0.106 0.000 1.065 906 V CB -0.185 31.685 31.823 0.078 0.000 0.681 906 V HN 0.342 nan 8.190 nan 0.000 0.462 907 L N 0.244 121.568 121.223 0.169 0.000 2.095 907 L HA -0.074 4.278 4.340 0.020 0.000 0.204 907 L C 2.437 179.459 176.870 0.252 0.000 1.080 907 L CA 1.434 56.380 54.840 0.176 0.000 0.759 907 L CB -0.417 41.712 42.059 0.116 0.000 0.914 907 L HN 0.360 nan 8.230 nan 0.000 0.439 908 N N -0.619 118.236 118.700 0.258 0.000 2.364 908 N HA -0.281 4.470 4.740 0.020 0.000 0.183 908 N C 1.771 177.532 175.510 0.419 0.000 1.022 908 N CA 1.239 54.496 53.050 0.346 0.000 0.883 908 N CB -0.142 38.639 38.487 0.489 0.000 0.965 908 N HN 0.604 nan 8.380 nan 0.000 0.438 909 H N -2.242 116.969 119.070 0.235 0.000 2.448 909 H HA -0.092 4.475 4.556 0.019 0.000 0.292 909 H C 1.803 177.252 175.328 0.200 0.000 1.035 909 H CA 0.518 56.667 56.048 0.169 0.000 1.349 909 H CB -0.123 29.704 29.762 0.108 0.000 1.425 909 H HN 0.306 nan 8.280 nan 0.000 0.539 910 W N 1.715 123.011 121.300 -0.005 0.000 2.418 910 W HA -0.088 4.584 4.660 0.020 0.000 0.292 910 W C 1.692 178.223 176.519 0.019 0.000 1.213 910 W CA 0.995 58.301 57.345 -0.066 0.000 1.283 910 W CB -0.167 29.285 29.460 -0.013 0.000 1.119 910 W HN 0.092 nan 8.180 nan 0.000 0.542 911 L N 0.630 122.081 121.223 0.381 0.000 2.027 911 L HA -0.180 4.172 4.340 0.020 0.000 0.206 911 L C 2.457 179.508 176.870 0.300 0.000 1.074 911 L CA 1.617 56.639 54.840 0.304 0.000 0.745 911 L CB -1.201 41.062 42.059 0.341 0.000 0.898 911 L HN -0.136 nan 8.230 nan 0.000 0.433 912 K N 0.988 121.600 120.400 0.354 0.000 2.097 912 K HA -0.243 4.089 4.320 0.020 0.000 0.206 912 K C 1.968 178.510 176.600 -0.097 0.000 1.049 912 K CA 1.516 57.767 56.287 -0.061 0.000 0.933 912 K CB -0.210 32.081 32.500 -0.349 0.000 0.717 912 K HN 0.301 nan 8.250 nan 0.000 0.442 913 E N -0.125 119.982 120.200 -0.156 0.000 2.267 913 E HA -0.194 4.168 4.350 0.020 0.000 0.197 913 E C 0.584 177.013 176.600 -0.285 0.000 0.998 913 E CA 1.030 57.272 56.400 -0.263 0.000 0.830 913 E CB 0.191 29.644 29.700 -0.412 0.000 0.751 913 E HN 0.139 nan 8.360 nan 0.000 0.491 914 K N 0.055 120.268 120.400 -0.311 0.000 2.402 914 K HA 0.200 4.532 4.320 0.020 0.000 0.204 914 K C -0.300 176.215 176.600 -0.142 0.000 1.056 914 K CA -0.010 56.083 56.287 -0.322 0.000 1.069 914 K CB 1.540 33.675 32.500 -0.608 0.000 0.888 914 K HN -0.133 nan 8.250 nan 0.000 0.546 915 S N 2.745 118.418 115.700 -0.045 0.000 2.422 915 S HA 0.244 4.726 4.470 0.020 0.000 0.308 915 S C -1.868 172.741 174.600 0.014 0.000 1.097 915 S CA -1.061 57.163 58.200 0.041 0.000 1.099 915 S CB 1.721 65.047 63.200 0.209 0.000 0.976 915 S HN -0.044 nan 8.310 nan 0.000 0.471 916 P HA -0.038 nan 4.420 nan 0.000 0.218 916 P C 0.654 177.962 177.300 0.013 0.000 1.149 916 P CA 1.017 64.118 63.100 0.002 0.000 0.817 916 P CB 0.085 31.788 31.700 0.005 0.000 0.785 917 T N -4.883 109.694 114.554 0.039 0.000 2.906 917 T HA 0.301 4.663 4.350 0.020 0.000 0.295 917 T C 0.711 175.467 174.700 0.093 0.000 1.075 917 T CA -0.801 61.327 62.100 0.047 0.000 1.005 917 T CB 2.007 70.903 68.868 0.046 0.000 1.136 917 T HN -0.224 nan 8.240 nan 0.000 0.498 918 E N 0.215 120.463 120.200 0.080 0.000 2.338 918 E HA -0.119 4.243 4.350 0.020 0.000 0.197 918 E C 1.440 178.161 176.600 0.201 0.000 1.007 918 E CA 0.792 57.279 56.400 0.145 0.000 0.849 918 E CB 0.209 29.953 29.700 0.074 0.000 0.774 918 E HN 0.872 nan 8.360 nan 0.000 0.506 919 E N 0.654 120.929 120.200 0.126 0.000 2.028 919 E HA -0.122 4.239 4.350 0.020 0.000 0.190 919 E C 1.879 178.536 176.600 0.094 0.000 0.984 919 E CA 0.805 57.265 56.400 0.100 0.000 0.800 919 E CB 0.208 29.947 29.700 0.065 0.000 0.758 919 E HN 0.034 nan 8.360 nan 0.000 0.448 920 K N -0.156 120.298 120.400 0.090 0.000 2.103 920 K HA -0.180 4.152 4.320 0.020 0.000 0.207 920 K C 2.010 178.668 176.600 0.097 0.000 1.048 920 K CA 1.350 57.682 56.287 0.075 0.000 0.930 920 K CB -0.282 32.258 32.500 0.066 0.000 0.716 920 K HN 0.171 nan 8.250 nan 0.000 0.444 921 F N 2.255 122.213 119.950 0.014 0.000 2.146 921 F HA -0.196 4.343 4.527 0.020 0.000 0.298 921 F C 2.288 178.105 175.800 0.028 0.000 1.096 921 F CA 1.370 59.380 58.000 0.017 0.000 1.275 921 F CB 0.002 39.012 39.000 0.017 0.000 1.008 921 F HN -0.029 nan 8.300 nan 0.000 0.480 922 Q N 0.568 120.392 119.800 0.040 0.000 2.124 922 Q HA -0.126 4.225 4.340 0.020 0.000 0.202 922 Q C 2.501 178.443 176.000 -0.096 0.000 0.977 922 Q CA 1.498 57.279 55.803 -0.037 0.000 0.850 922 Q CB -1.039 27.761 28.738 0.102 0.000 0.901 922 Q HN 0.550 nan 8.270 nan 0.000 0.429 923 A N 0.750 123.539 122.820 -0.051 0.000 1.930 923 A HA -0.008 4.323 4.320 0.020 0.000 0.217 923 A C 2.257 179.796 177.584 -0.075 0.000 1.175 923 A CA 1.629 53.637 52.037 -0.048 0.000 0.627 923 A CB -0.537 18.449 19.000 -0.023 0.000 0.815 923 A HN 0.340 nan 8.150 nan 0.000 0.443 924 A N -0.697 122.057 122.820 -0.110 0.000 2.067 924 A HA 0.116 4.448 4.320 0.020 0.000 0.219 924 A C 2.053 179.559 177.584 -0.130 0.000 1.158 924 A CA 1.593 53.577 52.037 -0.089 0.000 0.661 924 A CB -0.490 18.457 19.000 -0.089 0.000 0.801 924 A HN 0.351 nan 8.150 nan 0.000 0.452 925 V N -0.609 119.132 119.914 -0.288 0.000 2.599 925 V HA -0.133 3.999 4.120 0.020 0.000 0.245 925 V C 2.395 178.414 176.094 -0.126 0.000 1.046 925 V CA 1.897 64.016 62.300 -0.301 0.000 1.065 925 V CB -0.351 31.157 31.823 -0.525 0.000 0.703 925 V HN 0.726 nan 8.190 nan 0.000 0.464 926 E N 1.094 121.240 120.200 -0.089 0.000 2.051 926 E HA -0.265 4.097 4.350 0.020 0.000 0.192 926 E C 2.345 179.010 176.600 0.108 0.000 0.991 926 E CA 1.654 58.078 56.400 0.040 0.000 0.799 926 E CB -0.248 29.454 29.700 0.003 0.000 0.748 926 E HN 0.436 nan 8.360 nan 0.000 0.449 927 R N -1.074 119.444 120.500 0.029 0.000 2.189 927 R HA -0.111 4.241 4.340 0.020 0.000 0.223 927 R C 1.971 178.355 176.300 0.140 0.000 1.092 927 R CA 1.112 57.237 56.100 0.042 0.000 0.989 927 R CB -0.308 30.004 30.300 0.020 0.000 0.876 927 R HN 0.291 nan 8.270 nan 0.000 0.457 928 F N -0.113 119.842 119.950 0.009 0.000 2.149 928 F HA -0.102 4.437 4.527 0.020 0.000 0.294 928 F C 1.811 177.644 175.800 0.055 0.000 1.095 928 F CA 1.174 59.170 58.000 -0.006 0.000 1.276 928 F CB -0.288 38.657 39.000 -0.091 0.000 1.023 928 F HN -0.221 nan 8.300 nan 0.000 0.480 929 V N -0.141 119.886 119.914 0.189 0.000 2.287 929 V HA -0.354 3.778 4.120 0.020 0.000 0.248 929 V C 2.110 178.248 176.094 0.073 0.000 1.053 929 V CA 2.278 64.675 62.300 0.161 0.000 1.027 929 V CB -1.170 30.776 31.823 0.205 0.000 0.646 929 V HN 0.397 nan 8.190 nan 0.000 0.447 930 Y N 1.242 121.517 120.300 -0.041 0.000 2.089 930 Y HA -0.275 4.287 4.550 0.020 0.000 0.282 930 Y C 3.013 178.846 175.900 -0.112 0.000 1.139 930 Y CA 2.083 60.118 58.100 -0.107 0.000 1.123 930 Y CB -0.664 37.728 38.460 -0.114 0.000 0.980 930 Y HN 0.377 nan 8.280 nan 0.000 0.493 931 S N -0.985 114.776 115.700 0.100 0.000 2.370 931 S HA -0.286 4.195 4.470 0.020 0.000 0.226 931 S C 2.155 176.829 174.600 0.123 0.000 1.033 931 S CA 1.278 59.554 58.200 0.126 0.000 1.011 931 S CB -1.347 61.936 63.200 0.138 0.000 0.852 931 S HN 0.631 nan 8.310 nan 0.000 0.457 932 C N 1.895 121.120 119.300 -0.124 0.000 2.446 932 C HA 0.292 4.764 4.460 0.020 0.000 0.277 932 C C 3.086 178.158 174.990 0.136 0.000 1.275 932 C CA 0.795 59.750 59.018 -0.105 0.000 1.727 932 C CB -1.769 25.649 27.740 -0.537 0.000 2.010 932 C HN 0.707 nan 8.230 nan 0.000 0.486 933 A N 0.805 123.675 122.820 0.083 0.000 1.858 933 A HA 0.111 4.442 4.320 0.020 0.000 0.216 933 A C 2.548 179.996 177.584 -0.227 0.000 1.190 933 A CA 2.117 54.054 52.037 -0.167 0.000 0.617 933 A CB -1.680 17.030 19.000 -0.484 0.000 0.827 933 A HN 0.724 nan 8.150 nan 0.000 0.443 934 G N -1.653 107.006 108.800 -0.234 0.000 2.505 934 G HA2 -0.290 3.682 3.960 0.020 0.000 0.220 934 G HA3 -0.290 3.682 3.960 0.020 0.000 0.220 934 G C 1.451 176.283 174.900 -0.113 0.000 1.145 934 G CA 1.408 46.333 45.100 -0.291 0.000 0.761 934 G HN 0.585 nan 8.290 nan 0.000 0.571 935 Y N -0.316 119.988 120.300 0.006 0.000 2.475 935 Y HA 0.027 4.589 4.550 0.020 0.000 0.289 935 Y C 2.984 178.874 175.900 -0.017 0.000 1.121 935 Y CA 0.269 58.369 58.100 0.001 0.000 1.257 935 Y CB -0.095 38.343 38.460 -0.038 0.000 1.026 935 Y HN 0.226 nan 8.280 nan 0.000 0.555 936 C N -1.118 118.221 119.300 0.065 0.000 2.453 936 C HA -0.123 4.348 4.460 0.020 0.000 0.277 936 C C 2.646 177.571 174.990 -0.107 0.000 1.262 936 C CA 0.991 59.890 59.018 -0.198 0.000 1.718 936 C CB -1.019 26.303 27.740 -0.697 0.000 2.031 936 C HN 0.341 nan 8.230 nan 0.000 0.480 937 V N 1.615 121.505 119.914 -0.041 0.000 2.270 937 V HA -0.152 3.980 4.120 0.020 0.000 0.245 937 V C 2.736 178.973 176.094 0.240 0.000 1.043 937 V CA 2.228 64.579 62.300 0.085 0.000 1.014 937 V CB -1.543 30.233 31.823 -0.079 0.000 0.645 937 V HN 0.558 nan 8.190 nan 0.000 0.447 938 A N -0.337 122.598 122.820 0.192 0.000 1.877 938 A HA -0.264 4.068 4.320 0.020 0.000 0.216 938 A C 2.472 180.135 177.584 0.133 0.000 1.186 938 A CA 2.619 54.726 52.037 0.116 0.000 0.620 938 A CB -1.118 17.884 19.000 0.003 0.000 0.822 938 A HN 0.467 nan 8.150 nan 0.000 0.443 939 T N -1.686 112.973 114.554 0.174 0.000 2.788 939 T HA -0.151 4.210 4.350 0.020 0.000 0.268 939 T C 1.562 176.457 174.700 0.326 0.000 1.044 939 T CA 1.814 64.055 62.100 0.235 0.000 1.139 939 T CB -0.415 68.595 68.868 0.237 0.000 0.867 939 T HN 0.461 nan 8.240 nan 0.000 0.454 940 F N 1.351 121.459 119.950 0.263 0.000 2.128 940 F HA 0.075 4.614 4.527 0.019 0.000 0.295 940 F C 2.152 178.168 175.800 0.360 0.000 1.100 940 F CA 0.780 58.995 58.000 0.358 0.000 1.260 940 F CB -0.819 38.452 39.000 0.452 0.000 1.009 940 F HN -0.018 nan 8.300 nan 0.000 0.476 941 V N 1.226 121.142 119.914 0.004 0.000 2.282 941 V HA -0.323 3.808 4.120 0.020 0.000 0.249 941 V C 2.472 178.569 176.094 0.005 0.000 1.057 941 V CA 2.211 64.460 62.300 -0.085 0.000 1.032 941 V CB -0.906 30.940 31.823 0.040 0.000 0.645 941 V HN 0.385 nan 8.190 nan 0.000 0.447 942 L N 0.389 121.651 121.223 0.064 0.000 2.622 942 L HA 0.190 4.542 4.340 0.020 0.000 0.233 942 L C 1.585 178.481 176.870 0.044 0.000 1.156 942 L CA 0.809 55.721 54.840 0.120 0.000 0.866 942 L CB -0.727 41.403 42.059 0.120 0.000 0.980 942 L HN 0.601 nan 8.230 nan 0.000 0.448 943 G N 1.635 110.386 108.800 -0.082 0.000 2.295 943 G HA2 -0.289 3.682 3.960 0.020 0.000 0.287 943 G HA3 -0.289 3.682 3.960 0.020 0.000 0.287 943 G C 0.451 175.285 174.900 -0.111 0.000 1.055 943 G CA 0.582 45.426 45.100 -0.426 0.000 0.922 943 G HN 0.623 nan 8.290 nan 0.000 0.503 944 I N -4.064 116.570 120.570 0.106 0.000 3.376 944 I HA 0.548 4.729 4.170 0.020 0.000 0.326 944 I C 1.292 177.583 176.117 0.290 0.000 1.538 944 I CA -0.051 61.371 61.300 0.204 0.000 0.989 944 I CB 0.357 38.520 38.000 0.273 0.000 1.413 944 I HN 0.031 nan 8.210 nan 0.000 0.547 945 G N 0.177 109.162 108.800 0.308 0.000 2.603 945 G HA2 -0.084 3.887 3.960 0.020 0.000 0.214 945 G HA3 -0.084 3.887 3.960 0.020 0.000 0.214 945 G C 0.408 175.501 174.900 0.322 0.000 1.140 945 G CA 0.160 45.496 45.100 0.394 0.000 0.800 945 G HN 0.397 nan 8.290 nan 0.000 0.533 946 D N 1.266 121.823 120.400 0.262 0.000 2.435 946 D HA 0.188 4.840 4.640 0.020 0.000 0.230 946 D C -0.077 176.281 176.300 0.096 0.000 1.215 946 D CA -0.017 54.143 54.000 0.267 0.000 0.947 946 D CB 0.183 41.199 40.800 0.360 0.000 1.048 946 D HN -0.015 nan 8.370 nan 0.000 0.512 947 R N 2.281 122.700 120.500 -0.135 0.000 2.670 947 R HA 0.235 4.586 4.340 0.020 0.000 0.289 947 R C 0.198 175.970 176.300 -0.879 0.000 0.965 947 R CA -0.776 54.896 56.100 -0.712 0.000 0.899 947 R CB 1.256 31.286 30.300 -0.449 0.000 1.173 947 R HN 0.492 nan 8.270 nan 0.000 0.456 948 H N 1.494 120.009 119.070 -0.924 0.000 2.972 948 H HA -0.042 4.526 4.556 0.020 0.000 0.343 948 H C 0.725 175.866 175.328 -0.311 0.000 1.054 948 H CA -0.042 55.642 56.048 -0.605 0.000 1.412 948 H CB 1.063 30.486 29.762 -0.566 0.000 1.385 948 H HN 0.515 nan 8.280 nan 0.000 0.600 949 N N 1.157 119.819 118.700 -0.063 0.000 2.364 949 N HA -0.168 4.584 4.740 0.020 0.000 0.183 949 N C 0.853 176.298 175.510 -0.108 0.000 1.022 949 N CA 0.734 53.721 53.050 -0.104 0.000 0.883 949 N CB 0.002 38.415 38.487 -0.124 0.000 0.965 949 N HN 0.572 nan 8.380 nan 0.000 0.438 950 D N -0.050 120.304 120.400 -0.077 0.000 2.347 950 D HA 0.038 4.690 4.640 0.020 0.000 0.215 950 D C 0.381 176.582 176.300 -0.165 0.000 0.976 950 D CA 0.651 54.588 54.000 -0.104 0.000 0.884 950 D CB -0.154 40.591 40.800 -0.091 0.000 0.915 950 D HN 0.285 nan 8.370 nan 0.000 0.526 951 N N -0.926 117.661 118.700 -0.188 0.000 2.238 951 N HA 0.243 4.994 4.740 0.020 0.000 0.222 951 N C -0.584 174.689 175.510 -0.396 0.000 1.133 951 N CA -0.107 52.794 53.050 -0.250 0.000 0.854 951 N CB 1.121 39.515 38.487 -0.155 0.000 1.041 951 N HN 0.089 nan 8.380 nan 0.000 0.510 952 I N 1.164 121.503 120.570 -0.386 0.000 2.406 952 I HA 0.369 4.551 4.170 0.020 0.000 0.290 952 I C -0.348 175.533 176.117 -0.395 0.000 0.999 952 I CA -0.455 60.576 61.300 -0.448 0.000 1.124 952 I CB 1.558 39.357 38.000 -0.335 0.000 1.289 952 I HN -0.143 nan 8.210 nan 0.000 0.441 953 M N 6.203 125.436 119.600 -0.613 0.000 2.821 953 M HA 0.662 5.154 4.480 0.020 0.000 0.304 953 M C -0.813 175.182 176.300 -0.509 0.000 1.233 953 M CA -0.882 54.018 55.300 -0.666 0.000 0.851 953 M CB 3.265 35.225 32.600 -1.067 0.000 1.723 953 M HN 0.499 nan 8.290 nan 0.000 0.493 954 I N -0.041 120.375 120.570 -0.256 0.000 2.908 954 I HA 0.447 4.629 4.170 0.020 0.000 0.300 954 I C -0.931 175.318 176.117 0.219 0.000 1.385 954 I CA -0.349 60.968 61.300 0.027 0.000 1.004 954 I CB 2.686 40.667 38.000 -0.031 0.000 1.309 954 I HN 0.861 nan 8.210 nan 0.000 0.449 955 T N 0.609 115.373 114.554 0.350 0.000 2.934 955 T HA 0.385 4.746 4.350 0.020 0.000 0.283 955 T C 0.492 175.470 174.700 0.463 0.000 1.005 955 T CA -0.601 61.727 62.100 0.380 0.000 1.041 955 T CB 1.544 70.584 68.868 0.287 0.000 1.042 955 T HN 0.674 nan 8.240 nan 0.000 0.505 956 E N -0.084 120.363 120.200 0.411 0.000 2.527 956 E HA -0.025 4.337 4.350 0.020 0.000 0.204 956 E C 0.989 177.669 176.600 0.133 0.000 1.132 956 E CA 0.476 57.002 56.400 0.211 0.000 0.905 956 E CB -0.039 29.686 29.700 0.041 0.000 0.875 956 E HN 0.756 nan 8.360 nan 0.000 0.548 957 T N -2.587 112.081 114.554 0.188 0.000 3.209 957 T HA 0.308 4.670 4.350 0.020 0.000 0.295 957 T C 0.984 175.763 174.700 0.132 0.000 0.977 957 T CA 0.544 62.716 62.100 0.119 0.000 0.922 957 T CB 0.506 69.430 68.868 0.092 0.000 1.152 957 T HN 0.268 nan 8.240 nan 0.000 0.527 958 G N 1.935 110.860 108.800 0.208 0.000 2.234 958 G HA2 -0.224 3.747 3.960 0.020 0.000 0.235 958 G HA3 -0.224 3.747 3.960 0.020 0.000 0.235 958 G C 0.043 175.099 174.900 0.260 0.000 0.997 958 G CA 0.030 45.266 45.100 0.226 0.000 0.623 958 G HN 0.662 nan 8.290 nan 0.000 0.514 959 N N 0.683 119.511 118.700 0.214 0.000 2.497 959 N HA 0.462 5.214 4.740 0.020 0.000 0.268 959 N C -0.159 175.518 175.510 0.279 0.000 1.171 959 N CA 0.025 53.200 53.050 0.208 0.000 0.948 959 N CB 0.994 39.586 38.487 0.174 0.000 1.069 959 N HN 0.498 nan 8.380 nan 0.000 0.460 960 L N 4.517 125.866 121.223 0.211 0.000 2.331 960 L HA 0.725 5.076 4.340 0.020 0.000 0.275 960 L C -1.095 175.888 176.870 0.188 0.000 1.022 960 L CA -0.648 54.264 54.840 0.120 0.000 0.812 960 L CB 0.837 42.799 42.059 -0.162 0.000 1.257 960 L HN 0.552 nan 8.230 nan 0.000 0.435 961 F N 0.114 119.910 119.950 -0.258 0.000 2.688 961 F HA 0.480 5.019 4.527 0.019 0.000 0.308 961 F C -0.957 174.684 175.800 -0.265 0.000 1.117 961 F CA -0.967 56.714 58.000 -0.532 0.000 0.976 961 F CB 0.825 39.832 39.000 0.011 0.000 1.291 961 F HN 0.443 nan 8.300 nan 0.000 0.439 962 H N 2.635 121.453 119.070 -0.421 0.000 2.546 962 H HA 0.781 5.349 4.556 0.020 0.000 0.365 962 H C -0.271 175.010 175.328 -0.077 0.000 1.220 962 H CA -0.257 55.673 56.048 -0.196 0.000 1.386 962 H CB 2.197 31.977 29.762 0.030 0.000 1.510 962 H HN 0.757 nan 8.280 nan 0.000 0.591 963 I N -2.188 118.206 120.570 -0.293 0.000 3.095 963 I HA 0.260 4.442 4.170 0.020 0.000 0.310 963 I C -0.712 175.136 176.117 -0.448 0.000 1.196 963 I CA -1.008 60.181 61.300 -0.184 0.000 0.985 963 I CB 2.374 40.298 38.000 -0.127 0.000 1.250 963 I HN 0.515 nan 8.210 nan 0.000 0.446 964 D N 1.816 122.112 120.400 -0.174 0.000 2.746 964 D HA -0.192 4.460 4.640 0.020 0.000 0.241 964 D C 0.241 176.494 176.300 -0.078 0.000 1.140 964 D CA 0.795 54.756 54.000 -0.066 0.000 0.707 964 D CB -0.630 40.124 40.800 -0.077 0.000 1.034 964 D HN 0.625 nan 8.370 nan 0.000 0.423 965 F N -0.440 119.624 119.950 0.190 0.000 2.325 965 F HA 0.071 4.610 4.527 0.020 0.000 0.299 965 F C 2.705 178.590 175.800 0.140 0.000 1.090 965 F CA 0.957 59.057 58.000 0.166 0.000 1.392 965 F CB -0.113 38.969 39.000 0.137 0.000 1.053 965 F HN 0.306 nan 8.300 nan 0.000 0.521 966 G N -1.248 107.718 108.800 0.277 0.000 2.498 966 G HA2 -0.311 3.661 3.960 0.020 0.000 0.219 966 G HA3 -0.311 3.661 3.960 0.020 0.000 0.219 966 G C 1.309 176.308 174.900 0.164 0.000 1.119 966 G CA 1.076 46.287 45.100 0.185 0.000 0.766 966 G HN 0.410 nan 8.290 nan 0.000 0.552 967 H N 0.926 120.048 119.070 0.087 0.000 2.372 967 H HA 0.013 4.581 4.556 0.020 0.000 0.301 967 H C 2.491 177.865 175.328 0.076 0.000 1.065 967 H CA 1.443 57.521 56.048 0.051 0.000 1.364 967 H CB 0.036 29.803 29.762 0.008 0.000 1.406 967 H HN 0.306 nan 8.280 nan 0.000 0.521 968 I N -0.978 119.664 120.570 0.120 0.000 2.406 968 I HA -0.109 4.073 4.170 0.020 0.000 0.249 968 I C 1.925 178.139 176.117 0.161 0.000 1.122 968 I CA 1.051 62.416 61.300 0.108 0.000 1.431 968 I CB -1.240 36.886 38.000 0.211 0.000 1.087 968 I HN 0.276 nan 8.210 nan 0.000 0.424 969 L N 1.657 122.978 121.223 0.162 0.000 2.027 969 L HA -0.031 4.321 4.340 0.020 0.000 0.206 969 L C 2.385 179.314 176.870 0.098 0.000 1.074 969 L CA 1.640 56.566 54.840 0.143 0.000 0.745 969 L CB -0.858 41.271 42.059 0.117 0.000 0.898 969 L HN 0.428 nan 8.230 nan 0.000 0.433 970 G N -1.751 107.079 108.800 0.050 0.000 3.448 970 G HA2 0.052 4.023 3.960 0.020 0.000 0.261 970 G HA3 0.052 4.023 3.960 0.020 0.000 0.261 970 G C 0.760 175.643 174.900 -0.028 0.000 1.173 970 G CA -0.199 44.914 45.100 0.021 0.000 0.835 970 G HN 0.389 nan 8.290 nan 0.000 0.534 971 N N -1.419 117.239 118.700 -0.070 0.000 2.557 971 N HA 0.141 4.893 4.740 0.020 0.000 0.217 971 N C 0.096 175.575 175.510 -0.052 0.000 1.062 971 N CA -0.452 52.526 53.050 -0.120 0.000 0.863 971 N CB 0.478 38.799 38.487 -0.277 0.000 1.390 971 N HN 0.276 nan 8.380 nan 0.000 0.445 982 R N -0.059 120.428 120.500 -0.022 0.000 2.680 982 R HA 0.715 5.067 4.340 0.020 0.000 0.269 982 R C -1.162 175.133 176.300 -0.008 0.000 1.026 982 R CA -0.767 55.337 56.100 0.007 0.000 0.889 982 R CB 2.206 32.524 30.300 0.030 0.000 1.241 982 R HN 0.221 nan 8.270 nan 0.000 0.463 983 V N 3.151 123.074 119.914 0.014 0.000 2.823 983 V HA 0.562 4.694 4.120 0.020 0.000 0.312 983 V C -1.776 174.289 176.094 -0.048 0.000 1.072 983 V CA -2.362 59.892 62.300 -0.076 0.000 0.937 983 V CB 2.444 34.210 31.823 -0.094 0.000 1.013 983 V HN 0.722 nan 8.190 nan 0.000 0.430 984 P HA 0.014 nan 4.420 nan 0.000 0.214 984 P C 0.084 177.513 177.300 0.215 0.000 1.162 984 P CA 1.311 64.400 63.100 -0.018 0.000 0.874 984 P CB 0.091 31.565 31.700 -0.378 0.000 0.784 985 F N -2.649 117.358 119.950 0.095 0.000 2.814 985 F HA 0.659 5.197 4.527 0.019 0.000 0.353 985 F C -0.508 175.365 175.800 0.121 0.000 1.177 985 F CA -1.769 56.334 58.000 0.173 0.000 1.036 985 F CB 0.310 39.425 39.000 0.193 0.000 1.455 985 F HN -0.488 nan 8.300 nan 0.000 0.520 986 V N 2.531 122.697 119.914 0.418 0.000 2.304 986 V HA 0.418 4.550 4.120 0.020 0.000 0.269 986 V C -1.072 175.131 176.094 0.183 0.000 1.036 986 V CA -0.258 62.146 62.300 0.173 0.000 0.840 986 V CB 0.717 32.611 31.823 0.117 0.000 1.036 986 V HN 0.554 nan 8.190 nan 0.000 0.466 987 L N 6.827 128.056 121.223 0.010 0.000 2.415 987 L HA 0.702 5.054 4.340 0.020 0.000 0.268 987 L C 0.239 176.948 176.870 -0.268 0.000 0.984 987 L CA 0.235 55.085 54.840 0.016 0.000 0.853 987 L CB 1.867 44.071 42.059 0.242 0.000 1.215 987 L HN 0.731 nan 8.230 nan 0.000 0.419 988 T N 1.745 115.974 114.554 -0.543 0.000 2.949 988 T HA 0.594 4.956 4.350 0.020 0.000 0.287 988 T C -2.237 172.150 174.700 -0.522 0.000 1.034 988 T CA -1.967 59.684 62.100 -0.748 0.000 1.018 988 T CB 1.468 69.687 68.868 -1.081 0.000 1.135 988 T HN 0.260 nan 8.240 nan 0.000 0.532 989 P HA -0.104 nan 4.420 nan 0.000 0.218 989 P C 1.050 178.411 177.300 0.100 0.000 1.148 989 P CA 1.179 64.116 63.100 -0.273 0.000 0.822 989 P CB -0.066 31.434 31.700 -0.334 0.000 0.784 990 D N -1.503 119.006 120.400 0.182 0.000 2.183 990 D HA -0.156 4.496 4.640 0.020 0.000 0.203 990 D C 1.605 178.199 176.300 0.490 0.000 0.969 990 D CA 1.074 55.309 54.000 0.392 0.000 0.842 990 D CB -1.334 39.759 40.800 0.488 0.000 0.957 990 D HN 0.098 nan 8.370 nan 0.000 0.484 991 F N 0.939 120.976 119.950 0.145 0.000 2.128 991 F HA 0.127 4.665 4.527 0.019 0.000 0.295 991 F C 2.444 178.355 175.800 0.185 0.000 1.100 991 F CA 0.137 58.284 58.000 0.245 0.000 1.260 991 F CB -1.002 38.156 39.000 0.264 0.000 1.009 991 F HN -0.050 nan 8.300 nan 0.000 0.476 992 L N -1.480 119.929 121.223 0.310 0.000 2.046 992 L HA -0.258 4.094 4.340 0.020 0.000 0.208 992 L C 2.485 179.463 176.870 0.180 0.000 1.077 992 L CA 1.354 56.313 54.840 0.197 0.000 0.747 992 L CB -0.880 41.236 42.059 0.096 0.000 0.896 992 L HN 0.045 nan 8.230 nan 0.000 0.432 993 F N 0.420 120.429 119.950 0.097 0.000 2.161 993 F HA -0.215 4.324 4.527 0.019 0.000 0.300 993 F C 2.193 178.038 175.800 0.075 0.000 1.089 993 F CA 1.410 59.462 58.000 0.087 0.000 1.282 993 F CB -0.057 39.009 39.000 0.110 0.000 1.010 993 F HN -0.238 nan 8.300 nan 0.000 0.485 994 V N 0.259 120.294 119.914 0.202 0.000 2.913 994 V HA -0.276 3.856 4.120 0.020 0.000 0.260 994 V C 1.964 178.039 176.094 -0.032 0.000 1.098 994 V CA 1.692 63.992 62.300 0.000 0.000 1.121 994 V CB -0.654 30.933 31.823 -0.394 0.000 0.714 994 V HN 0.407 nan 8.190 nan 0.000 0.487 995 M N -0.531 119.105 119.600 0.059 0.000 2.509 995 M HA 0.300 4.792 4.480 0.020 0.000 0.250 995 M C 1.589 177.992 176.300 0.171 0.000 1.132 995 M CA 0.996 56.383 55.300 0.145 0.000 1.080 995 M CB 0.665 33.399 32.600 0.223 0.000 1.408 995 M HN 0.480 nan 8.290 nan 0.000 0.484 996 G N 0.894 109.700 108.800 0.008 0.000 2.163 996 G HA2 -0.167 3.805 3.960 0.020 0.000 0.213 996 G HA3 -0.167 3.805 3.960 0.020 0.000 0.213 996 G C 0.037 174.879 174.900 -0.096 0.000 0.991 996 G CA -0.080 44.992 45.100 -0.046 0.000 0.653 996 G HN 0.376 nan 8.290 nan 0.000 0.518 997 T N 0.538 115.027 114.554 -0.108 0.000 2.855 997 T HA 0.689 5.051 4.350 0.020 0.000 0.281 997 T C -0.236 174.386 174.700 -0.130 0.000 1.007 997 T CA 0.256 62.255 62.100 -0.169 0.000 1.009 997 T CB 1.957 70.618 68.868 -0.345 0.000 0.983 997 T HN 0.444 nan 8.240 nan 0.000 0.455 998 S N 1.099 116.738 115.700 -0.101 0.000 2.503 998 S HA 0.646 5.127 4.470 0.020 0.000 0.301 998 S C 1.237 175.818 174.600 -0.031 0.000 1.087 998 S CA 0.346 58.545 58.200 -0.001 0.000 1.042 998 S CB 0.695 63.923 63.200 0.046 0.000 1.043 998 S HN 1.112 nan 8.310 nan 0.000 0.489 999 G N 4.685 113.487 108.800 0.003 0.000 2.805 999 G HA2 -0.269 3.702 3.960 0.020 0.000 0.360 999 G HA3 -0.269 3.702 3.960 0.020 0.000 0.360 999 G C -0.211 174.641 174.900 -0.079 0.000 1.164 999 G CA 0.831 45.915 45.100 -0.026 0.000 0.954 999 G HN 0.655 nan 8.290 nan 0.000 0.597 1000 K N 1.440 121.794 120.400 -0.077 0.000 2.682 1000 K HA 0.494 4.826 4.320 0.020 0.000 0.189 1000 K C 0.410 176.942 176.600 -0.114 0.000 1.062 1000 K CA -0.073 56.153 56.287 -0.101 0.000 0.997 1000 K CB 1.431 33.891 32.500 -0.066 0.000 1.405 1000 K HN 0.633 nan 8.250 nan 0.000 0.588 1001 K N -0.276 120.020 120.400 -0.174 0.000 1.728 1001 K HA 0.512 4.844 4.320 0.020 0.000 0.279 1001 K C -0.764 175.688 176.600 -0.246 0.000 0.920 1001 K CA -0.385 55.805 56.287 -0.161 0.000 0.809 1001 K CB 1.391 33.814 32.500 -0.128 0.000 2.860 1001 K HN 0.118 nan 8.250 nan 0.000 1.027 1002 T N -0.294 114.131 114.554 -0.214 0.000 2.886 1002 T HA 0.309 4.671 4.350 0.020 0.000 0.341 1002 T C -2.020 172.645 174.700 -0.059 0.000 1.839 1002 T CA -0.718 61.269 62.100 -0.189 0.000 1.052 1002 T CB 1.218 70.046 68.868 -0.066 0.000 1.715 1002 T HN 0.796 nan 8.240 nan 0.000 0.504 1003 S N 0.401 116.133 115.700 0.054 0.000 2.636 1003 S HA 0.676 5.158 4.470 0.020 0.000 0.268 1003 S C -2.622 172.042 174.600 0.107 0.000 1.159 1003 S CA -1.113 57.126 58.200 0.066 0.000 0.815 1003 S CB 1.640 64.876 63.200 0.061 0.000 1.130 1003 S HN 0.453 nan 8.310 nan 0.000 0.471 1004 P HA -0.090 nan 4.420 nan 0.000 0.218 1004 P C 0.941 178.239 177.300 -0.003 0.000 1.149 1004 P CA 1.408 64.489 63.100 -0.033 0.000 0.817 1004 P CB -0.230 31.386 31.700 -0.141 0.000 0.785 1005 H N -1.753 117.397 119.070 0.133 0.000 2.403 1005 H HA 0.035 4.602 4.556 0.019 0.000 0.298 1005 H C 1.872 177.323 175.328 0.206 0.000 1.059 1005 H CA 0.731 56.869 56.048 0.150 0.000 1.363 1005 H CB -0.923 28.921 29.762 0.135 0.000 1.410 1005 H HN 0.119 nan 8.280 nan 0.000 0.528 1006 F N 1.985 122.057 119.950 0.203 0.000 2.234 1006 F HA -0.137 4.402 4.527 0.020 0.000 0.299 1006 F C 2.221 178.157 175.800 0.228 0.000 1.087 1006 F CA 1.094 59.207 58.000 0.188 0.000 1.340 1006 F CB 0.153 39.211 39.000 0.097 0.000 1.031 1006 F HN 0.060 nan 8.300 nan 0.000 0.500 1007 Q N -0.136 119.835 119.800 0.286 0.000 2.245 1007 Q HA -0.146 4.205 4.340 0.020 0.000 0.201 1007 Q C 2.116 178.147 176.000 0.052 0.000 0.955 1007 Q CA 1.057 56.950 55.803 0.151 0.000 0.870 1007 Q CB -0.120 28.706 28.738 0.147 0.000 0.945 1007 Q HN 0.384 nan 8.270 nan 0.000 0.461 1008 K N 0.586 121.036 120.400 0.083 0.000 2.025 1008 K HA -0.176 4.155 4.320 0.020 0.000 0.207 1008 K C 1.814 178.381 176.600 -0.054 0.000 1.049 1008 K CA 1.059 57.363 56.287 0.029 0.000 0.933 1008 K CB -0.149 32.421 32.500 0.117 0.000 0.714 1008 K HN 0.101 nan 8.250 nan 0.000 0.438 1009 F N 2.108 121.959 119.950 -0.165 0.000 2.025 1009 F HA -0.297 4.242 4.527 0.020 0.000 0.297 1009 F C 2.257 177.875 175.800 -0.303 0.000 1.132 1009 F CA 2.008 59.849 58.000 -0.265 0.000 1.191 1009 F CB -0.541 38.283 39.000 -0.293 0.000 0.963 1009 F HN 0.136 nan 8.300 nan 0.000 0.481 1010 Q N -0.625 118.954 119.800 -0.367 0.000 2.152 1010 Q HA -0.277 4.074 4.340 0.020 0.000 0.206 1010 Q C 1.663 177.478 176.000 -0.308 0.000 0.985 1010 Q CA 1.978 57.538 55.803 -0.406 0.000 0.863 1010 Q CB -0.361 28.258 28.738 -0.199 0.000 0.904 1010 Q HN 0.561 nan 8.270 nan 0.000 0.422 1011 D N -0.613 119.647 120.400 -0.233 0.000 2.347 1011 D HA -0.009 4.642 4.640 0.020 0.000 0.213 1011 D C 1.305 177.450 176.300 -0.258 0.000 0.985 1011 D CA 0.375 54.267 54.000 -0.181 0.000 0.879 1011 D CB 0.207 40.944 40.800 -0.105 0.000 0.919 1011 D HN 0.220 nan 8.370 nan 0.000 0.526 1012 I N -0.530 119.808 120.570 -0.386 0.000 2.703 1012 I HA -0.130 4.052 4.170 0.020 0.000 0.259 1012 I C 1.974 177.774 176.117 -0.528 0.000 1.151 1012 I CA 0.111 61.121 61.300 -0.482 0.000 1.470 1012 I CB -0.121 37.487 38.000 -0.653 0.000 1.112 1012 I HN 0.160 nan 8.210 nan 0.000 0.437 1013 C N 0.558 119.516 119.300 -0.571 0.000 2.429 1013 C HA -0.110 4.361 4.460 0.020 0.000 0.277 1013 C C 2.923 177.636 174.990 -0.461 0.000 1.262 1013 C CA 0.593 59.280 59.018 -0.552 0.000 1.733 1013 C CB -0.617 26.884 27.740 -0.397 0.000 2.010 1013 C HN 0.325 nan 8.230 nan 0.000 0.483 1014 V N 0.965 120.717 119.914 -0.269 0.000 2.307 1014 V HA -0.211 3.921 4.120 0.020 0.000 0.245 1014 V C 2.518 178.520 176.094 -0.153 0.000 1.045 1014 V CA 1.738 63.959 62.300 -0.131 0.000 1.024 1014 V CB -0.619 31.175 31.823 -0.049 0.000 0.651 1014 V HN 0.535 nan 8.190 nan 0.000 0.449 1015 K N 0.131 120.414 120.400 -0.195 0.000 2.057 1015 K HA -0.149 4.183 4.320 0.020 0.000 0.207 1015 K C 2.339 178.807 176.600 -0.221 0.000 1.049 1015 K CA 1.514 57.693 56.287 -0.179 0.000 0.931 1015 K CB -0.455 31.938 32.500 -0.178 0.000 0.714 1015 K HN 0.469 nan 8.250 nan 0.000 0.440 1016 A N 1.140 123.749 122.820 -0.351 0.000 1.851 1016 A HA -0.233 4.099 4.320 0.020 0.000 0.216 1016 A C 2.124 179.679 177.584 -0.049 0.000 1.195 1016 A CA 1.593 53.395 52.037 -0.392 0.000 0.622 1016 A CB -0.979 17.594 19.000 -0.711 0.000 0.831 1016 A HN 0.391 nan 8.150 nan 0.000 0.444 1017 Y N 0.724 120.802 120.300 -0.370 0.000 2.097 1017 Y HA -0.205 4.357 4.550 0.020 0.000 0.282 1017 Y C 2.039 177.825 175.900 -0.190 0.000 1.152 1017 Y CA 1.847 59.740 58.100 -0.345 0.000 1.136 1017 Y CB -0.648 37.408 38.460 -0.674 0.000 0.975 1017 Y HN 0.219 nan 8.280 nan 0.000 0.498 1018 L N -0.389 120.626 121.223 -0.346 0.000 2.083 1018 L HA -0.227 4.125 4.340 0.020 0.000 0.209 1018 L C 2.782 179.280 176.870 -0.620 0.000 1.083 1018 L CA 1.121 55.686 54.840 -0.458 0.000 0.752 1018 L CB -1.120 40.777 42.059 -0.271 0.000 0.899 1018 L HN 0.315 nan 8.230 nan 0.000 0.433 1019 A N 0.347 122.957 122.820 -0.350 0.000 1.917 1019 A HA -0.196 4.136 4.320 0.020 0.000 0.219 1019 A C 2.245 179.766 177.584 -0.105 0.000 1.182 1019 A CA 1.635 53.552 52.037 -0.200 0.000 0.633 1019 A CB -0.691 18.416 19.000 0.179 0.000 0.819 1019 A HN 0.395 nan 8.150 nan 0.000 0.448 1020 L N -1.548 119.638 121.223 -0.062 0.000 2.156 1020 L HA -0.090 4.262 4.340 0.020 0.000 0.208 1020 L C 2.685 179.509 176.870 -0.076 0.000 1.095 1020 L CA 0.984 55.786 54.840 -0.063 0.000 0.770 1020 L CB -0.447 41.583 42.059 -0.047 0.000 0.914 1020 L HN 0.363 nan 8.230 nan 0.000 0.439 1021 R N -0.827 119.536 120.500 -0.229 0.000 2.235 1021 R HA -0.091 4.261 4.340 0.020 0.000 0.213 1021 R C 1.871 178.146 176.300 -0.042 0.000 1.059 1021 R CA 0.649 56.633 56.100 -0.194 0.000 0.997 1021 R CB -0.312 29.788 30.300 -0.335 0.000 0.884 1021 R HN 0.538 nan 8.270 nan 0.000 0.462 1022 H N -1.013 118.027 119.070 -0.050 0.000 2.521 1022 H HA -0.027 4.541 4.556 0.019 0.000 0.286 1022 H C 0.557 175.728 175.328 -0.261 0.000 1.034 1022 H CA 0.462 56.433 56.048 -0.127 0.000 1.278 1022 H CB 0.215 29.914 29.762 -0.106 0.000 1.386 1022 H HN 0.311 nan 8.280 nan 0.000 0.567 1023 H N -0.456 118.626 119.070 0.020 0.000 2.505 1023 H HA 0.109 4.677 4.556 0.020 0.000 0.260 1023 H C 0.931 176.236 175.328 -0.038 0.000 1.168 1023 H CA -0.059 55.980 56.048 -0.016 0.000 0.945 1023 H CB 0.696 30.434 29.762 -0.039 0.000 1.800 1023 H HN 0.252 nan 8.280 nan 0.000 0.586 1024 T N 0.874 115.449 114.554 0.034 0.000 2.737 1024 T HA -0.174 4.188 4.350 0.020 0.000 0.269 1024 T C 1.928 176.632 174.700 0.008 0.000 1.040 1024 T CA 1.374 63.471 62.100 -0.004 0.000 1.142 1024 T CB 0.138 68.988 68.868 -0.031 0.000 0.861 1024 T HN 0.474 nan 8.240 nan 0.000 0.456 1025 N N 0.932 119.641 118.700 0.015 0.000 2.171 1025 N HA 0.076 4.828 4.740 0.020 0.000 0.184 1025 N C 1.878 177.411 175.510 0.038 0.000 1.021 1025 N CA 0.479 53.544 53.050 0.024 0.000 0.854 1025 N CB -0.629 37.869 38.487 0.018 0.000 0.994 1025 N HN 0.291 nan 8.380 nan 0.000 0.426 1026 L N 1.017 122.270 121.223 0.049 0.000 1.971 1026 L HA -0.163 4.189 4.340 0.020 0.000 0.215 1026 L C 2.023 178.925 176.870 0.054 0.000 1.072 1026 L CA 1.389 56.260 54.840 0.052 0.000 0.758 1026 L CB -0.369 41.741 42.059 0.084 0.000 0.889 1026 L HN 0.139 nan 8.230 nan 0.000 0.433 1027 L N -0.672 120.578 121.223 0.044 0.000 2.093 1027 L HA -0.248 4.104 4.340 0.020 0.000 0.208 1027 L C 2.466 179.380 176.870 0.073 0.000 1.085 1027 L CA 1.121 55.984 54.840 0.038 0.000 0.755 1027 L CB -0.367 41.687 42.059 -0.009 0.000 0.904 1027 L HN 0.277 nan 8.230 nan 0.000 0.435 1028 I N -0.415 120.186 120.570 0.051 0.000 2.315 1028 I HA -0.276 3.906 4.170 0.020 0.000 0.248 1028 I C 2.404 178.603 176.117 0.137 0.000 1.117 1028 I CA 1.142 62.487 61.300 0.075 0.000 1.404 1028 I CB -0.045 37.974 38.000 0.033 0.000 1.071 1028 I HN 0.191 nan 8.210 nan 0.000 0.419 1029 I N 0.311 120.942 120.570 0.102 0.000 2.286 1029 I HA -0.212 3.969 4.170 0.020 0.000 0.245 1029 I C 2.173 178.355 176.117 0.109 0.000 1.104 1029 I CA 1.631 62.989 61.300 0.096 0.000 1.397 1029 I CB -0.065 37.976 38.000 0.069 0.000 1.072 1029 I HN 0.054 nan 8.210 nan 0.000 0.417 1030 L N -0.532 120.758 121.223 0.112 0.000 2.083 1030 L HA -0.197 4.154 4.340 0.020 0.000 0.209 1030 L C 2.482 179.429 176.870 0.129 0.000 1.083 1030 L CA 1.627 56.532 54.840 0.108 0.000 0.752 1030 L CB -0.821 41.297 42.059 0.098 0.000 0.899 1030 L HN 0.343 nan 8.230 nan 0.000 0.433 1031 F N 0.203 120.162 119.950 0.014 0.000 2.206 1031 F HA -0.150 4.388 4.527 0.019 0.000 0.298 1031 F C 2.537 178.351 175.800 0.024 0.000 1.090 1031 F CA 1.357 59.365 58.000 0.014 0.000 1.323 1031 F CB 0.012 39.026 39.000 0.023 0.000 1.028 1031 F HN -0.097 nan 8.300 nan 0.000 0.492 1032 S N 0.590 116.403 115.700 0.188 0.000 2.371 1032 S HA -0.136 4.346 4.470 0.020 0.000 0.224 1032 S C 1.977 176.583 174.600 0.010 0.000 1.029 1032 S CA 1.527 59.776 58.200 0.082 0.000 0.978 1032 S CB -0.267 63.003 63.200 0.115 0.000 0.833 1032 S HN 0.393 nan 8.310 nan 0.000 0.466 1033 M N 0.541 120.171 119.600 0.050 0.000 2.229 1033 M HA -0.021 4.470 4.480 0.020 0.000 0.264 1033 M C 2.314 178.646 176.300 0.052 0.000 1.063 1033 M CA 1.069 56.437 55.300 0.114 0.000 1.114 1033 M CB -0.340 32.359 32.600 0.165 0.000 1.387 1033 M HN 0.340 nan 8.290 nan 0.000 0.420 1034 M N 0.730 120.306 119.600 -0.040 0.000 2.067 1034 M HA -0.212 4.279 4.480 0.020 0.000 0.260 1034 M C 1.943 178.152 176.300 -0.151 0.000 1.069 1034 M CA 1.792 57.025 55.300 -0.111 0.000 1.117 1034 M CB -0.172 32.329 32.600 -0.166 0.000 1.334 1034 M HN 0.276 nan 8.290 nan 0.000 0.407 1035 L N -0.420 120.659 121.223 -0.241 0.000 2.191 1035 L HA -0.225 4.127 4.340 0.020 0.000 0.212 1035 L C 2.406 179.223 176.870 -0.089 0.000 1.103 1035 L CA 1.022 55.730 54.840 -0.221 0.000 0.769 1035 L CB -0.505 41.374 42.059 -0.300 0.000 0.908 1035 L HN 0.485 nan 8.230 nan 0.000 0.438 1036 M N -1.023 118.565 119.600 -0.020 0.000 2.357 1036 M HA -0.072 4.420 4.480 0.020 0.000 0.266 1036 M C 2.159 178.486 176.300 0.044 0.000 1.095 1036 M CA 1.803 57.138 55.300 0.057 0.000 1.156 1036 M CB -0.159 32.542 32.600 0.169 0.000 1.365 1036 M HN 0.319 nan 8.290 nan 0.000 0.447 1037 T N -3.880 110.681 114.554 0.011 0.000 3.022 1037 T HA 0.234 4.596 4.350 0.020 0.000 0.250 1037 T C 1.457 176.111 174.700 -0.077 0.000 1.060 1037 T CA 0.675 62.732 62.100 -0.072 0.000 1.013 1037 T CB 0.244 69.025 68.868 -0.146 0.000 0.982 1037 T HN 0.380 nan 8.240 nan 0.000 0.508 1038 G N 1.681 110.441 108.800 -0.067 0.000 2.759 1038 G HA2 0.345 4.316 3.960 0.020 0.000 0.197 1038 G HA3 0.345 4.316 3.960 0.020 0.000 0.197 1038 G C 0.683 175.552 174.900 -0.052 0.000 1.067 1038 G CA -0.247 44.811 45.100 -0.070 0.000 0.742 1038 G HN 0.558 nan 8.290 nan 0.000 0.651 1039 M N 1.433 120.999 119.600 -0.056 0.000 1.956 1039 M HA 0.411 4.902 4.480 0.020 0.000 0.256 1039 M C -3.315 172.964 176.300 -0.034 0.000 0.869 1039 M CA -2.117 53.159 55.300 -0.039 0.000 0.886 1039 M CB 2.153 34.729 32.600 -0.040 0.000 1.739 1039 M HN -0.192 nan 8.290 nan 0.000 0.381 1040 P HA 0.129 nan 4.420 nan 0.000 0.272 1040 P C 0.215 177.511 177.300 -0.006 0.000 1.254 1040 P CA 0.533 63.623 63.100 -0.017 0.000 0.795 1040 P CB 0.808 32.498 31.700 -0.016 0.000 1.022 1041 Q N -1.915 117.883 119.800 -0.004 0.000 3.374 1041 Q HA -0.190 4.161 4.340 0.020 0.000 0.194 1041 Q C 0.766 176.768 176.000 0.003 0.000 2.268 1041 Q CA 1.605 57.411 55.803 0.005 0.000 0.784 1041 Q CB -1.758 26.992 28.738 0.020 0.000 0.709 1041 Q HN 0.475 nan 8.270 nan 0.000 0.836 1042 L N 1.880 123.100 121.223 -0.005 0.000 3.001 1042 L HA 0.122 4.474 4.340 0.020 0.000 0.234 1042 L C 1.250 178.099 176.870 -0.035 0.000 1.321 1042 L CA 0.089 54.920 54.840 -0.014 0.000 1.138 1042 L CB 0.070 42.114 42.059 -0.025 0.000 1.503 1042 L HN 0.198 nan 8.230 nan 0.000 0.487 1043 T N -1.424 113.111 114.554 -0.031 0.000 3.608 1043 T HA -0.033 4.329 4.350 0.020 0.000 0.213 1043 T C 1.495 176.173 174.700 -0.038 0.000 0.897 1043 T CA 1.055 63.133 62.100 -0.037 0.000 1.533 1043 T CB 0.291 69.135 68.868 -0.039 0.000 1.504 1043 T HN 0.537 nan 8.240 nan 0.000 0.446 1044 S N 1.185 116.842 115.700 -0.072 0.000 2.062 1044 S HA -0.446 4.036 4.470 0.020 0.000 0.214 1044 S C 1.201 175.757 174.600 -0.074 0.000 1.117 1044 S CA 3.150 61.303 58.200 -0.078 0.000 1.732 1044 S CB -1.233 61.947 63.200 -0.033 0.000 2.356 1044 S HN 0.724 nan 8.310 nan 0.000 0.584 1045 K N -0.727 119.655 120.400 -0.030 0.000 4.172 1045 K HA -0.172 4.159 4.320 0.020 0.000 0.452 1045 K C 0.806 177.428 176.600 0.036 0.000 0.345 1045 K CA 2.060 58.346 56.287 -0.002 0.000 1.972 1045 K CB -1.891 30.594 32.500 -0.025 0.000 0.527 1045 K HN 0.467 nan 8.250 nan 0.000 0.498 1046 E N 1.484 121.700 120.200 0.027 0.000 2.204 1046 E HA -0.085 4.277 4.350 0.020 0.000 0.195 1046 E C 1.168 177.823 176.600 0.091 0.000 0.990 1046 E CA 1.652 58.081 56.400 0.049 0.000 0.821 1046 E CB -0.117 29.602 29.700 0.032 0.000 0.750 1046 E HN 0.469 nan 8.360 nan 0.000 0.477 1047 D N -0.009 120.445 120.400 0.089 0.000 2.123 1047 D HA -0.061 4.591 4.640 0.020 0.000 0.200 1047 D C 1.984 178.442 176.300 0.264 0.000 0.976 1047 D CA 0.672 54.755 54.000 0.138 0.000 0.831 1047 D CB -0.113 40.728 40.800 0.068 0.000 0.974 1047 D HN 0.223 nan 8.370 nan 0.000 0.469 1048 I N 1.326 122.021 120.570 0.209 0.000 2.335 1048 I HA -0.207 3.975 4.170 0.020 0.000 0.251 1048 I C 1.756 178.098 176.117 0.376 0.000 1.129 1048 I CA 1.166 62.660 61.300 0.323 0.000 1.402 1048 I CB -0.222 37.871 38.000 0.156 0.000 1.069 1048 I HN -0.031 nan 8.210 nan 0.000 0.424 1049 E N -0.336 119.989 120.200 0.208 0.000 2.489 1049 E HA -0.128 4.234 4.350 0.020 0.000 0.193 1049 E C 1.590 178.218 176.600 0.046 0.000 1.057 1049 E CA 0.018 56.478 56.400 0.101 0.000 0.866 1049 E CB 0.084 29.816 29.700 0.054 0.000 0.916 1049 E HN 0.540 nan 8.360 nan 0.000 0.500 1050 Y N 1.191 121.493 120.300 0.004 0.000 2.207 1050 Y HA -0.233 4.329 4.550 0.020 0.000 0.287 1050 Y C 1.982 177.751 175.900 -0.219 0.000 1.156 1050 Y CA 1.416 59.473 58.100 -0.071 0.000 1.182 1050 Y CB -0.048 38.405 38.460 -0.013 0.000 0.979 1050 Y HN 0.051 nan 8.280 nan 0.000 0.521 1051 I N -0.174 120.185 120.570 -0.351 0.000 2.676 1051 I HA -0.190 3.992 4.170 0.020 0.000 0.259 1051 I C 2.367 178.264 176.117 -0.367 0.000 1.194 1051 I CA 0.904 61.892 61.300 -0.520 0.000 1.473 1051 I CB -0.237 37.231 38.000 -0.885 0.000 1.096 1051 I HN 0.206 nan 8.210 nan 0.000 0.443 1052 R N 0.731 121.075 120.500 -0.260 0.000 2.066 1052 R HA -0.164 4.188 4.340 0.020 0.000 0.232 1052 R C 1.891 178.072 176.300 -0.198 0.000 1.131 1052 R CA 1.940 57.936 56.100 -0.175 0.000 0.955 1052 R CB -0.234 30.000 30.300 -0.109 0.000 0.851 1052 R HN 0.392 nan 8.270 nan 0.000 0.432 1053 D N 0.373 120.619 120.400 -0.257 0.000 2.106 1053 D HA -0.204 4.448 4.640 0.020 0.000 0.191 1053 D C 1.767 177.928 176.300 -0.232 0.000 0.997 1053 D CA 1.757 55.607 54.000 -0.250 0.000 0.834 1053 D CB -0.360 40.266 40.800 -0.290 0.000 0.956 1053 D HN 0.297 nan 8.370 nan 0.000 0.448 1054 A N 0.662 123.227 122.820 -0.426 0.000 1.902 1054 A HA -0.109 4.223 4.320 0.020 0.000 0.217 1054 A C 2.343 179.981 177.584 0.089 0.000 1.181 1054 A CA 0.974 52.818 52.037 -0.322 0.000 0.623 1054 A CB -0.715 17.880 19.000 -0.674 0.000 0.818 1054 A HN 0.231 nan 8.150 nan 0.000 0.443 1055 L N -1.170 120.041 121.223 -0.020 0.000 2.558 1055 L HA 0.029 4.381 4.340 0.020 0.000 0.225 1055 L C 1.122 177.985 176.870 -0.011 0.000 1.128 1055 L CA 0.669 55.530 54.840 0.035 0.000 0.868 1055 L CB -0.167 41.850 42.059 -0.070 0.000 1.006 1055 L HN 0.457 nan 8.230 nan 0.000 0.454 1056 T N 0.078 114.603 114.554 -0.048 0.000 3.886 1056 T HA -0.175 4.186 4.350 0.020 0.000 0.371 1056 T C 0.083 174.719 174.700 -0.107 0.000 0.760 1056 T CA 0.329 62.352 62.100 -0.128 0.000 1.966 1056 T CB -1.133 67.650 68.868 -0.143 0.000 1.793 1056 T HN 0.138 nan 8.240 nan 0.000 0.798 1057 V N 1.511 121.367 119.914 -0.096 0.000 2.872 1057 V HA 0.470 4.601 4.120 0.020 0.000 0.307 1057 V C 1.815 177.868 176.094 -0.068 0.000 1.072 1057 V CA 2.031 64.286 62.300 -0.075 0.000 1.148 1057 V CB 0.687 32.471 31.823 -0.065 0.000 0.954 1057 V HN 1.547 nan 8.190 nan 0.000 0.490 1058 G N 5.190 113.958 108.800 -0.053 0.000 3.206 1058 G HA2 -0.228 3.744 3.960 0.020 0.000 0.217 1058 G HA3 -0.228 3.744 3.960 0.020 0.000 0.217 1058 G C 0.336 175.211 174.900 -0.043 0.000 1.350 1058 G CA 0.196 45.269 45.100 -0.045 0.000 0.836 1058 G HN 0.831 nan 8.290 nan 0.000 0.548 1059 K N 2.518 122.885 120.400 -0.054 0.000 2.494 1059 K HA 0.163 4.494 4.320 0.020 0.000 0.273 1059 K C 0.693 177.276 176.600 -0.028 0.000 0.970 1059 K CA 0.864 57.125 56.287 -0.042 0.000 0.963 1059 K CB 0.006 32.470 32.500 -0.061 0.000 0.913 1059 K HN 0.935 nan 8.250 nan 0.000 0.502 1060 N N -0.600 118.094 118.700 -0.011 0.000 2.482 1060 N HA 0.127 4.878 4.740 0.020 0.000 0.279 1060 N C 0.567 176.085 175.510 0.012 0.000 1.182 1060 N CA -0.777 52.272 53.050 -0.003 0.000 0.969 1060 N CB 1.031 39.518 38.487 0.001 0.000 1.201 1060 N HN 0.367 nan 8.380 nan 0.000 0.523 1061 E N 0.058 120.268 120.200 0.016 0.000 2.070 1061 E HA -0.257 4.105 4.350 0.020 0.000 0.197 1061 E C 0.975 177.606 176.600 0.051 0.000 1.004 1061 E CA 1.443 57.859 56.400 0.027 0.000 0.805 1061 E CB -0.118 29.604 29.700 0.037 0.000 0.744 1061 E HN 0.615 nan 8.360 nan 0.000 0.451 1062 E N 1.114 121.342 120.200 0.047 0.000 2.085 1062 E HA -0.177 4.184 4.350 0.020 0.000 0.194 1062 E C 1.764 178.412 176.600 0.080 0.000 0.994 1062 E CA 0.897 57.331 56.400 0.058 0.000 0.801 1062 E CB -0.403 29.322 29.700 0.043 0.000 0.743 1062 E HN 0.339 nan 8.360 nan 0.000 0.453 1063 D N 0.322 120.763 120.400 0.069 0.000 2.218 1063 D HA -0.116 4.536 4.640 0.020 0.000 0.204 1063 D C 1.685 178.071 176.300 0.143 0.000 0.976 1063 D CA 1.287 55.337 54.000 0.084 0.000 0.853 1063 D CB 0.149 40.976 40.800 0.045 0.000 0.939 1063 D HN 0.150 nan 8.370 nan 0.000 0.481 1064 A N 1.189 124.097 122.820 0.147 0.000 1.903 1064 A HA -0.103 4.229 4.320 0.020 0.000 0.213 1064 A C 2.094 179.917 177.584 0.400 0.000 1.185 1064 A CA 1.016 53.212 52.037 0.265 0.000 0.628 1064 A CB -0.253 18.824 19.000 0.129 0.000 0.830 1064 A HN 0.061 nan 8.150 nan 0.000 0.446 1065 K N 0.367 120.918 120.400 0.252 0.000 2.020 1065 K HA -0.268 4.064 4.320 0.020 0.000 0.212 1065 K C 2.131 178.872 176.600 0.234 0.000 1.050 1065 K CA 2.141 58.567 56.287 0.231 0.000 0.929 1065 K CB -0.253 32.324 32.500 0.128 0.000 0.714 1065 K HN 0.392 nan 8.250 nan 0.000 0.443 1066 K N -0.384 120.132 120.400 0.192 0.000 2.063 1066 K HA -0.243 4.089 4.320 0.020 0.000 0.208 1066 K C 2.193 178.908 176.600 0.192 0.000 1.048 1066 K CA 1.794 58.176 56.287 0.159 0.000 0.928 1066 K CB -0.366 32.213 32.500 0.133 0.000 0.713 1066 K HN 0.341 nan 8.250 nan 0.000 0.442 1067 Y N -0.124 120.252 120.300 0.127 0.000 2.181 1067 Y HA -0.254 4.309 4.550 0.021 0.000 0.288 1067 Y C 1.910 177.832 175.900 0.038 0.000 1.146 1067 Y CA 1.755 59.916 58.100 0.102 0.000 1.164 1067 Y CB -0.230 38.334 38.460 0.174 0.000 0.982 1067 Y HN 0.125 nan 8.280 nan 0.000 0.515 1068 F N 0.348 120.266 119.950 -0.053 0.000 2.084 1068 F HA -0.199 4.339 4.527 0.019 0.000 0.296 1068 F C 1.979 177.639 175.800 -0.233 0.000 1.111 1068 F CA 1.604 59.394 58.000 -0.349 0.000 1.224 1068 F CB -0.686 38.081 39.000 -0.388 0.000 0.991 1068 F HN -0.002 nan 8.300 nan 0.000 0.471 1069 L N -0.031 121.176 121.223 -0.027 0.000 2.137 1069 L HA -0.290 4.062 4.340 0.020 0.000 0.213 1069 L C 1.962 178.751 176.870 -0.135 0.000 1.085 1069 L CA 1.529 56.334 54.840 -0.059 0.000 0.760 1069 L CB -0.848 41.234 42.059 0.039 0.000 0.893 1069 L HN 0.138 nan 8.230 nan 0.000 0.434 1070 D N -0.883 119.414 120.400 -0.172 0.000 2.178 1070 D HA -0.145 4.507 4.640 0.020 0.000 0.202 1070 D C 2.387 178.494 176.300 -0.322 0.000 0.974 1070 D CA 0.723 54.607 54.000 -0.194 0.000 0.841 1070 D CB -0.101 40.603 40.800 -0.161 0.000 0.953 1070 D HN 0.313 nan 8.370 nan 0.000 0.478 1071 Q N 0.459 119.945 119.800 -0.524 0.000 2.046 1071 Q HA -0.051 4.300 4.340 0.020 0.000 0.200 1071 Q C 2.634 178.286 176.000 -0.581 0.000 0.975 1071 Q CA 0.559 55.965 55.803 -0.662 0.000 0.836 1071 Q CB -0.382 27.766 28.738 -0.984 0.000 0.896 1071 Q HN 0.417 nan 8.270 nan 0.000 0.428 1072 I N 1.205 121.536 120.570 -0.398 0.000 2.185 1072 I HA -0.269 3.913 4.170 0.020 0.000 0.246 1072 I C 2.117 178.165 176.117 -0.116 0.000 1.088 1072 I CA 1.246 62.485 61.300 -0.101 0.000 1.347 1072 I CB -0.326 37.711 38.000 0.061 0.000 1.041 1072 I HN 0.129 nan 8.210 nan 0.000 0.415 1073 E N 0.434 120.563 120.200 -0.117 0.000 2.347 1073 E HA -0.085 4.276 4.350 0.020 0.000 0.196 1073 E C 2.263 178.783 176.600 -0.134 0.000 1.008 1073 E CA 0.745 57.099 56.400 -0.076 0.000 0.852 1073 E CB 0.006 29.674 29.700 -0.053 0.000 0.783 1073 E HN 0.369 nan 8.360 nan 0.000 0.505 1074 V N -0.151 119.632 119.914 -0.218 0.000 2.871 1074 V HA -0.188 3.944 4.120 0.020 0.000 0.256 1074 V C 2.314 178.268 176.094 -0.233 0.000 1.082 1074 V CA 0.893 63.065 62.300 -0.214 0.000 1.105 1074 V CB -0.354 31.316 31.823 -0.255 0.000 0.713 1074 V HN 0.301 nan 8.190 nan 0.000 0.473 1075 C N -0.236 118.886 119.300 -0.296 0.000 2.476 1075 C HA -0.056 4.416 4.460 0.020 0.000 0.278 1075 C C 2.871 177.751 174.990 -0.183 0.000 1.274 1075 C CA 0.517 59.365 59.018 -0.284 0.000 1.713 1075 C CB -0.969 26.568 27.740 -0.339 0.000 2.039 1075 C HN 0.468 nan 8.230 nan 0.000 0.484 1076 R N 0.918 121.347 120.500 -0.118 0.000 2.152 1076 R HA -0.113 4.238 4.340 0.020 0.000 0.232 1076 R C 1.405 177.639 176.300 -0.111 0.000 1.117 1076 R CA 1.366 57.408 56.100 -0.096 0.000 0.981 1076 R CB -0.465 29.805 30.300 -0.049 0.000 0.870 1076 R HN 0.579 nan 8.270 nan 0.000 0.451 1077 D N 0.280 120.616 120.400 -0.107 0.000 2.162 1077 D HA -0.069 4.583 4.640 0.020 0.000 0.203 1077 D C 1.400 177.650 176.300 -0.083 0.000 0.967 1077 D CA 1.220 55.169 54.000 -0.086 0.000 0.840 1077 D CB 0.085 40.837 40.800 -0.079 0.000 0.972 1077 D HN 0.058 nan 8.370 nan 0.000 0.482 1078 K N -0.261 120.077 120.400 -0.103 0.000 2.393 1078 K HA 0.197 4.529 4.320 0.020 0.000 0.193 1078 K C 1.399 177.945 176.600 -0.091 0.000 1.026 1078 K CA 0.377 56.618 56.287 -0.076 0.000 1.064 1078 K CB 0.558 33.017 32.500 -0.068 0.000 0.833 1078 K HN 0.130 nan 8.250 nan 0.000 0.521 1079 G N 1.388 110.077 108.800 -0.185 0.000 2.723 1079 G HA2 -0.350 3.622 3.960 0.020 0.000 0.356 1079 G HA3 -0.350 3.622 3.960 0.020 0.000 0.356 1079 G C 0.597 175.252 174.900 -0.408 0.000 1.164 1079 G CA 1.054 45.946 45.100 -0.347 0.000 0.939 1079 G HN 0.552 nan 8.290 nan 0.000 0.570 1080 W N 1.428 122.760 121.300 0.054 0.000 3.127 1080 W HA 0.383 5.055 4.660 0.020 0.000 0.344 1080 W C 2.582 179.222 176.519 0.202 0.000 1.151 1080 W CA 0.395 57.827 57.345 0.144 0.000 1.765 1080 W CB 0.200 29.796 29.460 0.226 0.000 1.085 1080 W HN 0.447 nan 8.180 nan 0.000 0.596 1081 T N 1.064 115.785 114.554 0.278 0.000 2.555 1081 T HA -0.274 4.088 4.350 0.020 0.000 0.264 1081 T C 1.848 176.724 174.700 0.293 0.000 1.083 1081 T CA 2.286 64.534 62.100 0.245 0.000 1.179 1081 T CB -0.902 68.035 68.868 0.116 0.000 0.863 1081 T HN -0.070 nan 8.240 nan 0.000 0.412 1082 V N 1.447 121.471 119.914 0.184 0.000 2.295 1082 V HA -0.194 3.938 4.120 0.020 0.000 0.246 1082 V C 2.649 178.913 176.094 0.284 0.000 1.049 1082 V CA 1.798 64.174 62.300 0.127 0.000 1.024 1082 V CB -1.022 30.860 31.823 0.098 0.000 0.648 1082 V HN 0.272 nan 8.190 nan 0.000 0.447 1083 Q N -0.110 119.918 119.800 0.381 0.000 2.112 1083 Q HA -0.236 4.116 4.340 0.020 0.000 0.206 1083 Q C 1.923 178.290 176.000 0.611 0.000 0.987 1083 Q CA 2.226 58.303 55.803 0.456 0.000 0.858 1083 Q CB -0.678 28.267 28.738 0.345 0.000 0.905 1083 Q HN 0.677 nan 8.270 nan 0.000 0.420 1084 F N 0.088 120.357 119.950 0.532 0.000 2.206 1084 F HA -0.079 4.459 4.527 0.019 0.000 0.298 1084 F C 1.473 177.509 175.800 0.393 0.000 1.090 1084 F CA 1.488 59.789 58.000 0.502 0.000 1.323 1084 F CB -0.264 38.920 39.000 0.306 0.000 1.028 1084 F HN 0.151 nan 8.300 nan 0.000 0.492 1085 N N -0.470 118.368 118.700 0.231 0.000 2.058 1085 N HA -0.217 4.535 4.740 0.020 0.000 0.191 1085 N C 1.591 177.121 175.510 0.034 0.000 1.037 1085 N CA 2.116 55.174 53.050 0.012 0.000 0.848 1085 N CB -0.675 37.767 38.487 -0.074 0.000 1.021 1085 N HN 0.399 nan 8.380 nan 0.000 0.422 1086 W N 0.042 121.433 121.300 0.152 0.000 2.331 1086 W HA -0.160 4.512 4.660 0.019 0.000 0.291 1086 W C 1.846 178.466 176.519 0.168 0.000 1.214 1086 W CA 0.271 57.721 57.345 0.175 0.000 1.228 1086 W CB -0.316 29.269 29.460 0.208 0.000 1.135 1086 W HN 0.073 nan 8.180 nan 0.000 0.537 1087 F N 0.222 120.323 119.950 0.250 0.000 2.146 1087 F HA -0.152 4.387 4.527 0.019 0.000 0.298 1087 F C 2.059 177.836 175.800 -0.038 0.000 1.096 1087 F CA 1.665 59.735 58.000 0.115 0.000 1.275 1087 F CB -0.559 38.514 39.000 0.120 0.000 1.008 1087 F HN -0.278 nan 8.300 nan 0.000 0.480 1088 L N -0.744 120.415 121.223 -0.107 0.000 2.056 1088 L HA -0.212 4.140 4.340 0.020 0.000 0.207 1088 L C 2.465 179.278 176.870 -0.095 0.000 1.078 1088 L CA 1.850 56.583 54.840 -0.180 0.000 0.749 1088 L CB -1.047 40.888 42.059 -0.206 0.000 0.901 1088 L HN 0.260 nan 8.230 nan 0.000 0.433 1089 H N -0.224 118.798 119.070 -0.081 0.000 2.307 1089 H HA -0.112 4.456 4.556 0.020 0.000 0.303 1089 H C 1.833 177.155 175.328 -0.010 0.000 1.073 1089 H CA 1.303 57.335 56.048 -0.027 0.000 1.338 1089 H CB 0.242 30.010 29.762 0.010 0.000 1.389 1089 H HN 0.052 nan 8.280 nan 0.000 0.503 1090 L N 0.060 121.387 121.223 0.172 0.000 2.591 1090 L HA 0.125 4.477 4.340 0.020 0.000 0.228 1090 L C 0.875 177.669 176.870 -0.126 0.000 1.133 1090 L CA 0.501 55.389 54.840 0.081 0.000 0.880 1090 L CB 0.596 42.766 42.059 0.184 0.000 1.033 1090 L HN 0.297 nan 8.230 nan 0.000 0.450 1091 V N -1.907 117.857 119.914 -0.251 0.000 3.480 1091 V HA 0.152 4.284 4.120 0.020 0.000 0.263 1091 V C 1.049 176.965 176.094 -0.296 0.000 1.442 1091 V CA 0.339 62.428 62.300 -0.350 0.000 1.053 1091 V CB 0.759 32.168 31.823 -0.689 0.000 0.846 1091 V HN 0.173 nan 8.190 nan 0.000 0.440 1092 L N 0.109 121.173 121.223 -0.265 0.000 3.259 1092 L HA 0.692 5.044 4.340 0.020 0.000 0.292 1092 L C 0.904 177.681 176.870 -0.155 0.000 1.219 1092 L CA 0.375 55.104 54.840 -0.185 0.000 1.035 1092 L CB 0.724 42.685 42.059 -0.163 0.000 1.424 1092 L HN 0.365 nan 8.230 nan 0.000 0.603 1093 G N 0.000 108.677 108.800 -0.204 0.000 5.446 1093 G HA2 0.000 3.972 3.960 0.020 0.000 0.244 1093 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 1093 G CA 0.000 44.954 45.100 -0.244 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925