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 2a4z_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHXXXXSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTXXX XXXXXXXXXX XXXEQDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLLYY VNLLLIDHRF LLRRGEYVLH MWQISXXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNY CHPIAXXXXX 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 KVTLDIKSLX XXXXXXXXXV 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 DFXXXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWF 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 0.004 0.000 1.107 144 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 145 E N -0.824 119.380 120.200 0.007 0.000 2.403 145 E HA 0.510 4.883 4.350 0.038 0.000 0.188 145 E C 0.709 177.316 176.600 0.012 0.000 1.056 145 E CA 0.712 57.117 56.400 0.009 0.000 0.892 145 E CB -0.565 29.139 29.700 0.005 0.000 1.049 145 E HN 0.872 nan 8.360 nan 0.000 0.465 146 E N -1.078 119.131 120.200 0.016 0.000 2.703 146 E HA 0.297 4.670 4.350 0.038 0.000 0.214 146 E C 1.558 178.182 176.600 0.039 0.000 0.944 146 E CA 0.689 57.103 56.400 0.023 0.000 1.299 146 E CB -0.423 29.284 29.700 0.011 0.000 1.189 146 E HN 0.337 nan 8.360 nan 0.000 0.597 147 S N 1.027 116.749 115.700 0.038 0.000 2.395 147 S HA -0.166 4.327 4.470 0.038 0.000 0.225 147 S C 2.052 176.714 174.600 0.103 0.000 1.027 147 S CA 1.576 59.813 58.200 0.062 0.000 0.965 147 S CB 0.004 63.228 63.200 0.040 0.000 0.812 147 S HN 0.566 nan 8.310 nan 0.000 0.482 148 Q N 0.672 120.511 119.800 0.066 0.000 2.515 148 Q HA 0.224 4.587 4.340 0.038 0.000 0.212 148 Q C 1.491 177.525 176.000 0.056 0.000 0.970 148 Q CA 0.980 56.815 55.803 0.054 0.000 0.941 148 Q CB -0.557 28.197 28.738 0.027 0.000 0.998 148 Q HN 0.553 nan 8.270 nan 0.000 0.518 149 A N 0.049 122.919 122.820 0.083 0.000 1.984 149 A HA 0.077 4.420 4.320 0.038 0.000 0.214 149 A C 1.671 179.331 177.584 0.127 0.000 1.173 149 A CA 0.290 52.375 52.037 0.080 0.000 0.673 149 A CB -0.513 18.532 19.000 0.074 0.000 0.830 149 A HN 0.295 nan 8.150 nan 0.000 0.453 150 F N 1.183 121.130 119.950 -0.005 0.000 2.113 150 F HA -0.069 4.481 4.527 0.038 0.000 0.297 150 F C 2.893 178.691 175.800 -0.003 0.000 1.103 150 F CA 2.185 60.183 58.000 -0.004 0.000 1.248 150 F CB -0.947 38.049 39.000 -0.007 0.000 0.999 150 F HN 0.340 nan 8.300 nan 0.000 0.475 151 Q N 0.630 120.446 119.800 0.028 0.000 2.152 151 Q HA -0.246 4.117 4.340 0.038 0.000 0.206 151 Q C 2.322 178.256 176.000 -0.110 0.000 0.985 151 Q CA 3.014 58.769 55.803 -0.080 0.000 0.863 151 Q CB -1.786 26.952 28.738 -0.001 0.000 0.904 151 Q HN 0.603 nan 8.270 nan 0.000 0.422 152 R N -0.458 120.007 120.500 -0.057 0.000 2.092 152 R HA -0.001 4.362 4.340 0.038 0.000 0.231 152 R C 2.612 178.862 176.300 -0.083 0.000 1.119 152 R CA 2.578 58.645 56.100 -0.054 0.000 0.970 152 R CB -1.764 28.525 30.300 -0.018 0.000 0.864 152 R HN 0.968 nan 8.270 nan 0.000 0.440 153 Q N 0.990 120.719 119.800 -0.120 0.000 2.050 153 Q HA 0.071 4.434 4.340 0.038 0.000 0.202 153 Q C 2.502 178.383 176.000 -0.198 0.000 0.980 153 Q CA 1.665 57.380 55.803 -0.146 0.000 0.840 153 Q CB -0.682 27.947 28.738 -0.182 0.000 0.898 153 Q HN 0.716 nan 8.270 nan 0.000 0.424 154 L N 0.076 121.106 121.223 -0.322 0.000 1.961 154 L HA -0.180 4.182 4.340 0.038 0.000 0.210 154 L C 2.879 179.669 176.870 -0.134 0.000 1.072 154 L CA 1.943 56.630 54.840 -0.255 0.000 0.749 154 L CB -1.056 40.821 42.059 -0.304 0.000 0.889 154 L HN 0.414 nan 8.230 nan 0.000 0.432 155 T N 0.071 114.555 114.554 -0.116 0.000 2.684 155 T HA -0.334 4.038 4.350 0.038 0.000 0.267 155 T C 1.845 176.510 174.700 -0.058 0.000 1.032 155 T CA 1.875 63.928 62.100 -0.079 0.000 1.155 155 T CB -0.327 68.492 68.868 -0.081 0.000 0.857 155 T HN 0.517 nan 8.240 nan 0.000 0.457 156 A N 0.325 123.112 122.820 -0.054 0.000 1.968 156 A HA 0.112 4.454 4.320 0.038 0.000 0.217 156 A C 2.296 179.872 177.584 -0.013 0.000 1.169 156 A CA 0.991 53.012 52.037 -0.026 0.000 0.638 156 A CB -0.558 18.432 19.000 -0.017 0.000 0.812 156 A HN 0.502 nan 8.150 nan 0.000 0.446 157 L N -0.614 120.598 121.223 -0.019 0.000 2.044 157 L HA -0.110 4.252 4.340 0.038 0.000 0.205 157 L C 2.451 179.284 176.870 -0.061 0.000 1.075 157 L CA 1.103 55.957 54.840 0.024 0.000 0.747 157 L CB -0.475 41.615 42.059 0.051 0.000 0.903 157 L HN 0.347 nan 8.230 nan 0.000 0.435 158 I N -0.370 120.147 120.570 -0.089 0.000 2.179 158 I HA -0.202 3.991 4.170 0.038 0.000 0.242 158 I C 1.792 177.852 176.117 -0.095 0.000 1.088 158 I CA 1.367 62.587 61.300 -0.133 0.000 1.357 158 I CB -0.589 37.378 38.000 -0.055 0.000 1.051 158 I HN 0.538 nan 8.210 nan 0.000 0.409 159 G N -0.384 108.399 108.800 -0.028 0.000 2.175 159 G HA2 -0.313 3.670 3.960 0.038 0.000 0.244 159 G HA3 -0.313 3.670 3.960 0.038 0.000 0.244 159 G C -0.034 174.930 174.900 0.106 0.000 0.982 159 G CA 0.133 45.244 45.100 0.017 0.000 0.641 159 G HN 0.397 nan 8.290 nan 0.000 0.527 160 Y N 0.338 120.606 120.300 -0.053 0.000 2.609 160 Y HA 0.573 5.146 4.550 0.038 0.000 0.336 160 Y C -1.615 174.259 175.900 -0.043 0.000 1.129 160 Y CA -1.043 57.034 58.100 -0.038 0.000 1.040 160 Y CB 1.902 40.345 38.460 -0.029 0.000 1.310 160 Y HN 0.034 nan 8.280 nan 0.000 0.460 161 D N 4.033 123.987 120.400 -0.742 0.000 2.467 161 D HA 0.153 4.816 4.640 0.038 0.000 0.220 161 D C 0.713 176.828 176.300 -0.308 0.000 1.103 161 D CA -0.059 53.682 54.000 -0.432 0.000 0.886 161 D CB 1.370 41.941 40.800 -0.381 0.000 1.025 161 D HN 0.602 nan 8.370 nan 0.000 0.514 162 V N 2.396 122.302 119.914 -0.013 0.000 3.593 162 V HA -0.022 4.121 4.120 0.038 0.000 0.275 162 V C 1.119 177.218 176.094 0.009 0.000 1.237 162 V CA 1.326 63.674 62.300 0.080 0.000 1.194 162 V CB -1.108 30.760 31.823 0.075 0.000 0.949 162 V HN 0.553 nan 8.190 nan 0.000 0.467 163 T N -3.788 110.736 114.554 -0.049 0.000 2.971 163 T HA 0.295 4.668 4.350 0.038 0.000 0.252 163 T C 0.797 175.469 174.700 -0.046 0.000 1.022 163 T CA 0.520 62.598 62.100 -0.037 0.000 0.980 163 T CB -0.524 68.320 68.868 -0.041 0.000 1.044 163 T HN 0.792 nan 8.240 nan 0.000 0.501 164 D N 1.157 121.505 120.400 -0.086 0.000 2.372 164 D HA 0.488 5.150 4.640 0.038 0.000 0.243 164 D C 1.058 177.342 176.300 -0.026 0.000 1.297 164 D CA 0.395 54.350 54.000 -0.076 0.000 0.958 164 D CB 0.417 41.136 40.800 -0.134 0.000 1.114 164 D HN 0.693 nan 8.370 nan 0.000 0.496 165 V N -3.457 116.446 119.914 -0.017 0.000 3.908 165 V HA 0.213 4.356 4.120 0.038 0.000 0.348 165 V C 1.387 177.483 176.094 0.003 0.000 1.625 165 V CA 0.480 62.782 62.300 0.003 0.000 1.399 165 V CB -0.464 31.366 31.823 0.012 0.000 1.032 165 V HN 0.788 nan 8.190 nan 0.000 0.467 166 S N -0.597 115.096 115.700 -0.011 0.000 2.650 166 S HA 0.134 4.627 4.470 0.038 0.000 0.219 166 S C 0.805 175.396 174.600 -0.015 0.000 0.960 166 S CA 0.990 59.181 58.200 -0.015 0.000 0.925 166 S CB -0.708 62.472 63.200 -0.033 0.000 0.775 166 S HN 0.786 nan 8.310 nan 0.000 0.525 167 N N 0.566 119.264 118.700 -0.003 0.000 2.588 167 N HA 0.288 5.051 4.740 0.038 0.000 0.298 167 N C -0.611 174.888 175.510 -0.019 0.000 1.718 167 N CA -0.168 52.877 53.050 -0.008 0.000 0.888 167 N CB 1.199 39.683 38.487 -0.005 0.000 1.389 167 N HN 0.321 nan 8.380 nan 0.000 0.491 168 V N -1.783 118.119 119.914 -0.019 0.000 3.182 168 V HA 0.575 4.717 4.120 0.038 0.000 0.308 168 V C -0.222 175.865 176.094 -0.012 0.000 1.240 168 V CA -0.641 61.602 62.300 -0.094 0.000 1.063 168 V CB 1.846 33.638 31.823 -0.051 0.000 1.076 168 V HN 0.353 nan 8.190 nan 0.000 0.446 169 H N -0.298 118.854 119.070 0.135 0.000 3.109 169 H HA 0.497 5.076 4.556 0.038 0.000 0.248 169 H C -0.846 174.609 175.328 0.212 0.000 1.177 169 H CA 0.173 56.328 56.048 0.179 0.000 0.977 169 H CB 0.582 30.509 29.762 0.275 0.000 2.165 169 H HN 0.964 nan 8.280 nan 0.000 0.693 170 D N 0.942 121.493 120.400 0.252 0.000 2.865 170 D HA -0.046 4.617 4.640 0.038 0.000 0.343 170 D C -0.923 175.482 176.300 0.175 0.000 1.372 170 D CA -0.337 53.833 54.000 0.284 0.000 0.862 170 D CB 0.737 41.780 40.800 0.406 0.000 1.425 170 D HN 0.140 nan 8.370 nan 0.000 0.501 171 D N -0.989 119.536 120.400 0.209 0.000 2.696 171 D HA 0.079 4.741 4.640 0.038 0.000 0.269 171 D C 0.650 176.962 176.300 0.020 0.000 1.319 171 D CA -0.301 53.789 54.000 0.149 0.000 0.826 171 D CB 0.661 41.594 40.800 0.221 0.000 1.086 171 D HN 0.503 nan 8.370 nan 0.000 0.481 172 E N 0.688 120.742 120.200 -0.243 0.000 2.051 172 E HA -0.110 4.263 4.350 0.038 0.000 0.192 172 E C 1.911 178.542 176.600 0.050 0.000 0.991 172 E CA 0.650 56.791 56.400 -0.432 0.000 0.799 172 E CB 0.164 29.749 29.700 -0.190 0.000 0.748 172 E HN 0.315 nan 8.360 nan 0.000 0.449 173 L N 0.619 121.836 121.223 -0.009 0.000 2.012 173 L HA -0.224 4.139 4.340 0.038 0.000 0.210 173 L C 2.699 179.574 176.870 0.009 0.000 1.073 173 L CA 1.451 56.233 54.840 -0.096 0.000 0.748 173 L CB -0.447 41.520 42.059 -0.152 0.000 0.891 173 L HN 0.141 nan 8.230 nan 0.000 0.431 174 E N 0.392 120.626 120.200 0.057 0.000 2.031 174 E HA -0.280 4.092 4.350 0.038 0.000 0.193 174 E C 1.998 178.667 176.600 0.116 0.000 0.994 174 E CA 1.486 57.934 56.400 0.080 0.000 0.800 174 E CB -0.456 29.304 29.700 0.100 0.000 0.752 174 E HN 0.335 nan 8.360 nan 0.000 0.447 175 F N 0.783 120.757 119.950 0.041 0.000 2.192 175 F HA -0.231 4.318 4.527 0.038 0.000 0.301 175 F C 1.925 177.768 175.800 0.072 0.000 1.079 175 F CA 2.134 60.185 58.000 0.085 0.000 1.303 175 F CB -0.504 38.592 39.000 0.159 0.000 1.024 175 F HN 0.026 nan 8.300 nan 0.000 0.494 176 T N 0.374 114.950 114.554 0.037 0.000 2.942 176 T HA -0.048 4.325 4.350 0.038 0.000 0.265 176 T C 1.925 176.582 174.700 -0.072 0.000 1.062 176 T CA 1.128 63.207 62.100 -0.035 0.000 1.139 176 T CB -0.183 68.756 68.868 0.119 0.000 0.883 176 T HN 0.300 nan 8.240 nan 0.000 0.468 177 R N 0.987 121.464 120.500 -0.039 0.000 2.066 177 R HA 0.011 4.374 4.340 0.038 0.000 0.232 177 R C 3.162 179.426 176.300 -0.059 0.000 1.131 177 R CA 1.463 57.545 56.100 -0.029 0.000 0.955 177 R CB -0.437 29.860 30.300 -0.005 0.000 0.851 177 R HN 0.335 nan 8.270 nan 0.000 0.432 178 R N 0.845 121.293 120.500 -0.086 0.000 2.091 178 R HA -0.064 4.298 4.340 0.038 0.000 0.238 178 R C 2.328 178.528 176.300 -0.166 0.000 1.136 178 R CA 1.861 57.898 56.100 -0.105 0.000 0.959 178 R CB -1.993 28.251 30.300 -0.093 0.000 0.856 178 R HN 0.507 nan 8.270 nan 0.000 0.437 179 G N 0.053 108.675 108.800 -0.297 0.000 2.484 179 G HA2 0.007 3.989 3.960 0.038 0.000 0.218 179 G HA3 0.007 3.989 3.960 0.038 0.000 0.218 179 G C 1.585 176.407 174.900 -0.131 0.000 1.130 179 G CA 0.594 45.524 45.100 -0.283 0.000 0.784 179 G HN 0.437 nan 8.290 nan 0.000 0.543 180 L N 0.494 121.665 121.223 -0.087 0.000 2.395 180 L HA 0.004 4.367 4.340 0.038 0.000 0.218 180 L C 2.751 179.608 176.870 -0.022 0.000 1.130 180 L CA -0.060 54.762 54.840 -0.030 0.000 0.826 180 L CB -0.130 41.927 42.059 -0.003 0.000 0.941 180 L HN 0.056 nan 8.230 nan 0.000 0.451 181 V N -0.229 119.665 119.914 -0.033 0.000 2.392 181 V HA -0.309 3.834 4.120 0.038 0.000 0.249 181 V C 2.531 178.611 176.094 -0.022 0.000 1.059 181 V CA 2.355 64.641 62.300 -0.023 0.000 1.051 181 V CB -0.743 31.065 31.823 -0.025 0.000 0.658 181 V HN 0.486 nan 8.190 nan 0.000 0.455 182 T N 0.026 114.565 114.554 -0.025 0.000 2.708 182 T HA -0.097 4.276 4.350 0.038 0.000 0.266 182 T C 0.023 174.716 174.700 -0.011 0.000 1.037 182 T CA 1.915 64.004 62.100 -0.018 0.000 1.146 182 T CB -1.122 67.736 68.868 -0.017 0.000 0.865 182 T HN 0.443 nan 8.240 nan 0.000 0.435 183 P HA -0.044 nan 4.420 nan 0.000 0.216 183 P C 1.510 178.808 177.300 -0.003 0.000 1.150 183 P CA 1.022 64.126 63.100 0.006 0.000 0.837 183 P CB 0.020 31.733 31.700 0.021 0.000 0.786 184 R N -0.321 120.174 120.500 -0.008 0.000 2.082 184 R HA -0.127 4.235 4.340 0.038 0.000 0.228 184 R C 2.197 178.476 176.300 -0.036 0.000 1.140 184 R CA 2.223 58.310 56.100 -0.020 0.000 0.920 184 R CB -0.770 29.518 30.300 -0.020 0.000 0.828 184 R HN -0.029 nan 8.270 nan 0.000 0.430 185 M N 0.496 120.076 119.600 -0.033 0.000 2.089 185 M HA -0.180 4.323 4.480 0.038 0.000 0.257 185 M C 2.451 178.728 176.300 -0.039 0.000 1.071 185 M CA 1.998 57.275 55.300 -0.038 0.000 1.096 185 M CB -1.264 31.319 32.600 -0.029 0.000 1.330 185 M HN 0.406 nan 8.290 nan 0.000 0.403 186 A N -0.806 121.997 122.820 -0.027 0.000 2.131 186 A HA -0.181 4.161 4.320 0.038 0.000 0.220 186 A C 2.093 179.658 177.584 -0.032 0.000 1.158 186 A CA 2.136 54.160 52.037 -0.023 0.000 0.665 186 A CB -0.527 18.468 19.000 -0.009 0.000 0.795 186 A HN 0.532 nan 8.150 nan 0.000 0.460 187 E N -1.179 118.994 120.200 -0.045 0.000 2.207 187 E HA 0.057 4.430 4.350 0.038 0.000 0.197 187 E C 1.808 178.344 176.600 -0.107 0.000 0.914 187 E CA 0.841 57.203 56.400 -0.064 0.000 0.914 187 E CB -0.182 29.484 29.700 -0.056 0.000 0.893 187 E HN 0.109 nan 8.360 nan 0.000 0.479 188 V N 1.803 121.645 119.914 -0.119 0.000 2.250 188 V HA -0.362 3.781 4.120 0.038 0.000 0.253 188 V C 2.412 178.420 176.094 -0.144 0.000 1.065 188 V CA 2.296 64.497 62.300 -0.165 0.000 1.039 188 V CB -1.205 30.541 31.823 -0.127 0.000 0.647 188 V HN 0.433 nan 8.190 nan 0.000 0.446 189 A N -0.957 121.806 122.820 -0.095 0.000 1.877 189 A HA -0.202 4.140 4.320 0.038 0.000 0.216 189 A C 2.295 179.838 177.584 -0.068 0.000 1.186 189 A CA 2.042 54.036 52.037 -0.072 0.000 0.620 189 A CB -0.720 18.250 19.000 -0.051 0.000 0.822 189 A HN 0.476 nan 8.150 nan 0.000 0.443 190 S N -0.486 115.176 115.700 -0.063 0.000 2.906 190 S HA 0.306 4.799 4.470 0.038 0.000 0.234 190 S C 0.626 175.188 174.600 -0.062 0.000 0.973 190 S CA 0.681 58.852 58.200 -0.049 0.000 1.036 190 S CB -0.985 62.195 63.200 -0.033 0.000 0.798 190 S HN 0.732 nan 8.310 nan 0.000 0.498 191 R N 1.430 121.872 120.500 -0.098 0.000 2.371 191 R HA 0.398 4.760 4.340 0.038 0.000 0.312 191 R C -0.720 175.526 176.300 -0.090 0.000 0.980 191 R CA -0.558 55.469 56.100 -0.121 0.000 0.867 191 R CB -0.180 29.966 30.300 -0.255 0.000 1.163 191 R HN 0.571 nan 8.270 nan 0.000 0.492 192 D N 3.994 124.377 120.400 -0.029 0.000 2.479 192 D HA 0.017 4.679 4.640 0.038 0.000 0.257 192 D C -1.318 175.003 176.300 0.036 0.000 1.230 192 D CA -0.948 53.054 54.000 0.004 0.000 0.912 192 D CB 1.343 42.157 40.800 0.023 0.000 1.130 192 D HN 0.336 nan 8.370 nan 0.000 0.515 193 P HA -0.195 nan 4.420 nan 0.000 0.219 193 P C 1.100 178.457 177.300 0.095 0.000 1.146 193 P CA 0.990 64.136 63.100 0.077 0.000 0.808 193 P CB 0.115 31.837 31.700 0.036 0.000 0.779 194 K N 0.379 120.812 120.400 0.054 0.000 1.975 194 K HA -0.156 4.187 4.320 0.038 0.000 0.224 194 K C 1.909 178.525 176.600 0.025 0.000 1.038 194 K CA 1.619 57.925 56.287 0.033 0.000 1.009 194 K CB -1.009 31.508 32.500 0.029 0.000 0.750 194 K HN -0.003 nan 8.250 nan 0.000 0.445 195 L N 0.483 121.729 121.223 0.038 0.000 2.189 195 L HA -0.231 4.132 4.340 0.038 0.000 0.214 195 L C 2.544 179.436 176.870 0.036 0.000 1.097 195 L CA 1.186 56.041 54.840 0.025 0.000 0.764 195 L CB -0.600 41.489 42.059 0.051 0.000 0.900 195 L HN 0.414 nan 8.230 nan 0.000 0.436 196 Y N 0.979 121.256 120.300 -0.039 0.000 2.044 196 Y HA -0.323 4.249 4.550 0.038 0.000 0.264 196 Y C 2.518 178.392 175.900 -0.043 0.000 1.111 196 Y CA 1.332 59.416 58.100 -0.026 0.000 1.088 196 Y CB -0.826 37.620 38.460 -0.022 0.000 0.981 196 Y HN 0.078 nan 8.280 nan 0.000 0.478 197 A N 0.075 122.791 122.820 -0.174 0.000 2.171 197 A HA -0.290 4.053 4.320 0.038 0.000 0.223 197 A C 2.125 179.479 177.584 -0.383 0.000 1.166 197 A CA 2.472 54.336 52.037 -0.290 0.000 0.668 197 A CB -0.913 18.016 19.000 -0.118 0.000 0.807 197 A HN 0.707 nan 8.150 nan 0.000 0.475 198 M N -1.466 117.863 119.600 -0.452 0.000 2.367 198 M HA 0.083 4.585 4.480 0.038 0.000 0.256 198 M C 0.205 175.887 176.300 -1.030 0.000 1.091 198 M CA 0.430 55.201 55.300 -0.881 0.000 1.049 198 M CB 0.108 32.285 32.600 -0.705 0.000 1.406 198 M HN 0.739 nan 8.290 nan 0.000 0.498 199 H N -0.900 117.995 119.070 -0.292 0.000 2.394 199 H HA -0.096 4.483 4.556 0.038 0.000 0.322 199 H C -2.627 172.674 175.328 -0.044 0.000 1.012 199 H CA -0.478 55.467 56.048 -0.172 0.000 1.084 199 H CB -2.229 27.396 29.762 -0.228 0.000 1.597 199 H HN 0.155 nan 8.280 nan 0.000 0.375 200 P HA -0.040 nan 4.420 nan 0.000 0.268 200 P C -0.057 177.356 177.300 0.189 0.000 1.208 200 P CA 0.119 63.287 63.100 0.112 0.000 0.777 200 P CB 0.390 32.145 31.700 0.092 0.000 0.875 201 W N 4.957 126.234 121.300 -0.038 0.000 2.453 201 W HA 0.476 5.158 4.660 0.038 0.000 0.310 201 W C -1.604 174.799 176.519 -0.193 0.000 1.000 201 W CA -0.896 56.423 57.345 -0.042 0.000 1.367 201 W CB 0.495 29.996 29.460 0.068 0.000 1.269 201 W HN 0.219 nan 8.180 nan 0.000 0.418 202 V N 2.626 122.537 119.914 -0.006 0.000 3.141 202 V HA 0.910 5.053 4.120 0.038 0.000 0.312 202 V C -0.514 175.524 176.094 -0.093 0.000 1.157 202 V CA -0.727 61.408 62.300 -0.275 0.000 1.041 202 V CB 1.296 32.840 31.823 -0.465 0.000 1.071 202 V HN 0.438 nan 8.190 nan 0.000 0.441 203 T N -0.617 113.853 114.554 -0.139 0.000 2.858 203 T HA 0.645 5.018 4.350 0.038 0.000 0.285 203 T C 0.314 174.969 174.700 -0.075 0.000 1.052 203 T CA 0.335 62.391 62.100 -0.074 0.000 1.009 203 T CB 1.999 70.814 68.868 -0.089 0.000 1.241 203 T HN 0.901 nan 8.240 nan 0.000 0.542 204 S N -0.445 115.221 115.700 -0.056 0.000 2.679 204 S HA 0.351 4.844 4.470 0.038 0.000 0.258 204 S C 0.681 175.249 174.600 -0.053 0.000 1.068 204 S CA 0.060 58.231 58.200 -0.049 0.000 1.115 204 S CB 0.189 63.371 63.200 -0.031 0.000 1.078 204 S HN 1.058 nan 8.310 nan 0.000 0.603 205 K N 3.763 124.126 120.400 -0.062 0.000 2.485 205 K HA 0.301 4.644 4.320 0.038 0.000 0.277 205 K C -2.567 173.986 176.600 -0.078 0.000 0.990 205 K CA -1.083 55.164 56.287 -0.066 0.000 0.994 205 K CB -1.532 30.922 32.500 -0.077 0.000 0.906 205 K HN 0.227 nan 8.250 nan 0.000 0.488 206 P HA 0.070 nan 4.420 nan 0.000 0.268 206 P C -0.285 176.936 177.300 -0.132 0.000 1.204 206 P CA -0.659 62.396 63.100 -0.074 0.000 0.768 206 P CB 0.548 32.225 31.700 -0.038 0.000 0.842 207 L N 6.688 127.791 121.223 -0.201 0.000 2.628 207 L HA 0.095 4.458 4.340 0.038 0.000 0.274 207 L C -1.871 174.810 176.870 -0.315 0.000 1.209 207 L CA -0.974 53.661 54.840 -0.343 0.000 0.930 207 L CB -0.914 40.754 42.059 -0.651 0.000 1.183 207 L HN 0.331 nan 8.230 nan 0.000 0.492 208 P HA 0.113 nan 4.420 nan 0.000 0.269 208 P C 0.490 177.499 177.300 -0.483 0.000 1.215 208 P CA 0.581 63.377 63.100 -0.507 0.000 0.780 208 P CB 0.378 31.545 31.700 -0.889 0.000 0.898 209 E N 2.850 122.841 120.200 -0.348 0.000 2.005 209 E HA -0.273 4.099 4.350 0.038 0.000 0.198 209 E C 1.840 178.383 176.600 -0.095 0.000 1.010 209 E CA 2.385 58.719 56.400 -0.110 0.000 0.825 209 E CB -2.292 27.380 29.700 -0.047 0.000 0.769 209 E HN 0.736 nan 8.360 nan 0.000 0.456 210 Y N -0.013 120.301 120.300 0.025 0.000 2.264 210 Y HA -0.133 4.440 4.550 0.038 0.000 0.282 210 Y C 2.052 177.963 175.900 0.017 0.000 1.204 210 Y CA 1.522 59.620 58.100 -0.003 0.000 1.228 210 Y CB -0.871 37.550 38.460 -0.064 0.000 0.971 210 Y HN 0.203 nan 8.280 nan 0.000 0.538 211 L N -1.808 119.490 121.223 0.125 0.000 2.477 211 L HA 0.118 4.481 4.340 0.038 0.000 0.220 211 L C 2.074 179.011 176.870 0.111 0.000 1.106 211 L CA 0.310 55.228 54.840 0.130 0.000 0.851 211 L CB -0.880 41.191 42.059 0.021 0.000 0.994 211 L HN 0.458 nan 8.230 nan 0.000 0.462 212 W N -0.341 120.924 121.300 -0.058 0.000 2.481 212 W HA -0.125 4.558 4.660 0.038 0.000 0.293 212 W C 2.510 179.020 176.519 -0.016 0.000 1.201 212 W CA 0.045 57.364 57.345 -0.044 0.000 1.328 212 W CB 0.341 29.760 29.460 -0.068 0.000 1.112 212 W HN -0.097 nan 8.180 nan 0.000 0.546 213 K N 1.710 122.272 120.400 0.269 0.000 2.074 213 K HA -0.224 4.119 4.320 0.038 0.000 0.209 213 K C 1.861 178.544 176.600 0.139 0.000 1.048 213 K CA 2.163 58.536 56.287 0.144 0.000 0.926 213 K CB -0.547 32.020 32.500 0.112 0.000 0.713 213 K HN 0.100 nan 8.250 nan 0.000 0.444 214 K N 1.203 121.698 120.400 0.159 0.000 2.665 214 K HA 0.002 4.345 4.320 0.038 0.000 0.196 214 K C 1.270 177.957 176.600 0.144 0.000 1.021 214 K CA 1.131 57.493 56.287 0.125 0.000 1.066 214 K CB -0.827 31.736 32.500 0.104 0.000 0.849 214 K HN 0.524 nan 8.250 nan 0.000 0.500 215 I N -2.039 118.647 120.570 0.194 0.000 2.558 215 I HA 0.279 4.472 4.170 0.038 0.000 0.318 215 I C 0.265 176.474 176.117 0.153 0.000 1.559 215 I CA -0.232 61.197 61.300 0.215 0.000 0.767 215 I CB 0.153 38.339 38.000 0.310 0.000 1.920 215 I HN 0.054 nan 8.210 nan 0.000 0.612 216 A N 1.935 124.777 122.820 0.036 0.000 2.604 216 A HA 0.180 4.523 4.320 0.038 0.000 0.248 216 A C 0.779 178.298 177.584 -0.108 0.000 1.466 216 A CA 0.696 52.663 52.037 -0.116 0.000 1.222 216 A CB -1.179 17.768 19.000 -0.088 0.000 0.945 216 A HN 0.809 nan 8.150 nan 0.000 0.600 217 N N -1.688 116.976 118.700 -0.060 0.000 2.143 217 N HA -0.017 4.746 4.740 0.038 0.000 0.229 217 N C 0.109 175.601 175.510 -0.030 0.000 1.294 217 N CA 0.023 53.052 53.050 -0.034 0.000 0.883 217 N CB -0.134 38.366 38.487 0.022 0.000 1.148 217 N HN 0.115 nan 8.380 nan 0.000 0.511 218 N N 0.298 118.970 118.700 -0.046 0.000 2.696 218 N HA -0.178 4.585 4.740 0.038 0.000 0.256 218 N C -1.541 173.995 175.510 0.043 0.000 1.031 218 N CA 0.936 53.993 53.050 0.011 0.000 0.730 218 N CB -1.569 36.886 38.487 -0.054 0.000 0.894 218 N HN 0.525 nan 8.380 nan 0.000 0.544 219 C N 1.484 120.832 119.300 0.079 0.000 2.931 219 C HA 0.635 5.118 4.460 0.038 0.000 0.370 219 C C 0.020 175.018 174.990 0.013 0.000 1.071 219 C CA -0.937 58.075 59.018 -0.011 0.000 1.266 219 C CB 1.402 29.133 27.740 -0.015 0.000 1.691 219 C HN 0.378 nan 8.230 nan 0.000 0.511 220 I N 2.329 122.829 120.570 -0.117 0.000 2.571 220 I HA 0.436 4.629 4.170 0.038 0.000 0.289 220 I C -1.184 174.831 176.117 -0.169 0.000 1.115 220 I CA -0.248 61.034 61.300 -0.030 0.000 1.045 220 I CB 1.531 39.526 38.000 -0.009 0.000 1.238 220 I HN 0.434 nan 8.210 nan 0.000 0.424 221 F N 6.292 126.224 119.950 -0.030 0.000 2.408 221 F HA 0.502 5.051 4.527 0.038 0.000 0.344 221 F C 0.321 176.076 175.800 -0.074 0.000 1.112 221 F CA -0.515 57.459 58.000 -0.043 0.000 1.096 221 F CB 1.101 40.076 39.000 -0.041 0.000 1.129 221 F HN 0.160 nan 8.300 nan 0.000 0.486 222 I N 4.383 124.989 120.570 0.060 0.000 2.405 222 I HA 0.201 4.394 4.170 0.038 0.000 0.280 222 I C -0.842 175.271 176.117 -0.007 0.000 1.027 222 I CA -0.778 60.514 61.300 -0.012 0.000 1.161 222 I CB 1.281 39.249 38.000 -0.053 0.000 1.300 222 I HN 0.207 nan 8.210 nan 0.000 0.463 223 V N 7.643 127.518 119.914 -0.065 0.000 2.403 223 V HA 0.092 4.234 4.120 0.038 0.000 0.265 223 V C 0.554 176.697 176.094 0.082 0.000 1.034 223 V CA 0.268 62.551 62.300 -0.029 0.000 1.036 223 V CB -0.191 31.513 31.823 -0.199 0.000 1.032 223 V HN 0.457 nan 8.190 nan 0.000 0.478 224 I N 5.608 126.226 120.570 0.081 0.000 2.291 224 I HA 0.308 4.500 4.170 0.038 0.000 0.290 224 I C 0.565 176.700 176.117 0.029 0.000 1.050 224 I CA -0.417 60.864 61.300 -0.031 0.000 1.245 224 I CB 0.269 38.078 38.000 -0.318 0.000 1.405 224 I HN 0.613 nan 8.210 nan 0.000 0.478 231 Q N 1.173 121.002 119.800 0.048 0.000 2.263 231 Q HA 0.492 4.855 4.340 0.038 0.000 0.270 231 Q C 0.161 176.227 176.000 0.111 0.000 1.104 231 Q CA 0.337 56.168 55.803 0.048 0.000 0.909 231 Q CB -0.641 28.058 28.738 -0.065 0.000 1.214 231 Q HN 0.382 nan 8.270 nan 0.000 0.400 232 T N 2.922 117.516 114.554 0.066 0.000 2.869 232 T HA 0.616 4.989 4.350 0.038 0.000 0.295 232 T C -0.088 174.686 174.700 0.125 0.000 0.987 232 T CA -0.034 62.123 62.100 0.094 0.000 1.109 232 T CB 0.266 69.182 68.868 0.081 0.000 0.932 232 T HN 0.586 nan 8.240 nan 0.000 0.518 233 I N 1.882 122.528 120.570 0.126 0.000 3.067 233 I HA 0.682 4.874 4.170 0.038 0.000 0.312 233 I C 0.246 176.368 176.117 0.008 0.000 1.073 233 I CA -0.845 60.497 61.300 0.070 0.000 1.016 233 I CB 1.390 39.410 38.000 0.033 0.000 1.227 233 I HN 0.599 nan 8.210 nan 0.000 0.456 234 K N 2.900 123.187 120.400 -0.189 0.000 2.604 234 K HA 0.770 5.113 4.320 0.038 0.000 0.247 234 K C -0.799 175.593 176.600 -0.347 0.000 0.956 234 K CA -0.535 55.399 56.287 -0.589 0.000 0.896 234 K CB 0.902 32.769 32.500 -1.054 0.000 1.131 234 K HN 0.707 nan 8.250 nan 0.000 0.440 235 V N -1.080 118.677 119.914 -0.262 0.000 3.302 235 V HA 0.861 5.003 4.120 0.038 0.000 0.316 235 V C 0.378 176.396 176.094 -0.127 0.000 1.111 235 V CA -0.153 62.056 62.300 -0.151 0.000 1.029 235 V CB 1.674 33.438 31.823 -0.099 0.000 1.170 235 V HN 1.082 nan 8.190 nan 0.000 0.452 236 S N -0.814 114.848 115.700 -0.063 0.000 2.509 236 S HA 0.578 5.071 4.470 0.038 0.000 0.297 236 S C -2.292 172.320 174.600 0.020 0.000 1.118 236 S CA -1.571 56.620 58.200 -0.014 0.000 1.074 236 S CB 1.243 64.442 63.200 -0.002 0.000 1.038 236 S HN 0.656 nan 8.310 nan 0.000 0.498 237 P HA 0.051 nan 4.420 nan 0.000 0.261 237 P C -0.303 177.034 177.300 0.062 0.000 1.277 237 P CA 0.971 64.117 63.100 0.077 0.000 0.748 237 P CB -0.128 31.721 31.700 0.248 0.000 1.062 238 D N -2.101 118.330 120.400 0.053 0.000 2.712 238 D HA 0.069 4.732 4.640 0.038 0.000 0.300 238 D C -0.199 176.121 176.300 0.033 0.000 1.521 238 D CA 0.159 54.187 54.000 0.048 0.000 0.790 238 D CB 0.483 41.317 40.800 0.057 0.000 1.155 238 D HN 0.140 nan 8.370 nan 0.000 0.456 239 D N 1.060 121.473 120.400 0.020 0.000 2.381 239 D HA 0.417 5.080 4.640 0.038 0.000 0.235 239 D C 0.796 177.104 176.300 0.013 0.000 1.068 239 D CA -0.500 53.505 54.000 0.009 0.000 0.832 239 D CB 0.989 41.780 40.800 -0.014 0.000 1.101 239 D HN -0.040 nan 8.370 nan 0.000 0.515 240 T N 0.050 114.621 114.554 0.029 0.000 2.795 240 T HA 0.235 4.607 4.350 0.038 0.000 0.314 240 T C -1.547 173.153 174.700 -0.001 0.000 1.069 240 T CA -0.734 61.392 62.100 0.044 0.000 1.071 240 T CB 0.997 69.899 68.868 0.057 0.000 0.988 240 T HN 0.128 nan 8.240 nan 0.000 0.543 241 P HA -0.050 nan 4.420 nan 0.000 0.220 241 P C 1.699 178.970 177.300 -0.049 0.000 1.144 241 P CA 1.256 64.310 63.100 -0.077 0.000 0.800 241 P CB -0.370 31.292 31.700 -0.063 0.000 0.772 242 G N 0.062 108.861 108.800 -0.002 0.000 2.394 242 G HA2 -0.195 3.788 3.960 0.038 0.000 0.214 242 G HA3 -0.195 3.788 3.960 0.038 0.000 0.214 242 G C 1.649 176.551 174.900 0.004 0.000 1.176 242 G CA 0.770 45.879 45.100 0.016 0.000 0.786 242 G HN 0.295 nan 8.290 nan 0.000 0.533 243 A N 0.804 123.625 122.820 0.001 0.000 1.940 243 A HA 0.023 4.365 4.320 0.038 0.000 0.219 243 A C 2.311 179.879 177.584 -0.026 0.000 1.176 243 A CA 1.251 53.286 52.037 -0.003 0.000 0.631 243 A CB -0.367 18.631 19.000 -0.003 0.000 0.814 243 A HN 0.401 nan 8.150 nan 0.000 0.446 244 I N -0.882 119.655 120.570 -0.056 0.000 3.001 244 I HA -0.110 4.083 4.170 0.038 0.000 0.268 244 I C 1.918 177.959 176.117 -0.126 0.000 1.267 244 I CA 0.592 61.839 61.300 -0.088 0.000 1.472 244 I CB -0.091 37.837 38.000 -0.119 0.000 1.089 244 I HN 0.275 nan 8.210 nan 0.000 0.468 245 L N -0.319 120.829 121.223 -0.125 0.000 2.463 245 L HA -0.018 4.345 4.340 0.038 0.000 0.219 245 L C 2.506 179.341 176.870 -0.059 0.000 1.088 245 L CA 0.238 54.941 54.840 -0.229 0.000 0.849 245 L CB -0.174 41.790 42.059 -0.158 0.000 1.012 245 L HN 0.215 nan 8.230 nan 0.000 0.468 246 Q N -0.423 119.393 119.800 0.026 0.000 2.020 246 Q HA -0.192 4.170 4.340 0.038 0.000 0.202 246 Q C 2.162 178.218 176.000 0.095 0.000 0.982 246 Q CA 1.802 57.657 55.803 0.088 0.000 0.838 246 Q CB -0.460 28.310 28.738 0.053 0.000 0.899 246 Q HN 0.372 nan 8.270 nan 0.000 0.423 247 S N 0.499 116.227 115.700 0.048 0.000 2.537 247 S HA -0.158 4.335 4.470 0.038 0.000 0.214 247 S C 0.643 175.309 174.600 0.111 0.000 1.157 247 S CA 0.265 58.498 58.200 0.054 0.000 1.500 247 S CB -0.670 62.547 63.200 0.028 0.000 1.050 247 S HN 0.375 nan 8.310 nan 0.000 0.387 248 F N 1.689 121.589 119.950 -0.083 0.000 2.447 248 F HA 0.172 4.722 4.527 0.038 0.000 0.339 248 F C 0.426 176.206 175.800 -0.034 0.000 1.196 248 F CA 0.579 58.527 58.000 -0.087 0.000 0.969 248 F CB -0.559 38.334 39.000 -0.179 0.000 1.106 248 F HN 0.498 nan 8.300 nan 0.000 0.594 249 F N 0.600 120.624 119.950 0.124 0.000 2.509 249 F HA -0.152 4.397 4.527 0.038 0.000 0.464 249 F C 0.356 176.157 175.800 0.001 0.000 0.883 249 F CA 0.154 58.208 58.000 0.090 0.000 0.600 249 F CB -0.312 38.756 39.000 0.112 0.000 1.467 249 F HN 0.351 nan 8.300 nan 0.000 0.479 268 Q N 0.645 120.518 119.800 0.123 0.000 2.322 268 Q HA 0.301 4.663 4.340 0.038 0.000 0.203 268 Q C 1.169 177.264 176.000 0.157 0.000 0.923 268 Q CA 1.172 57.105 55.803 0.218 0.000 0.949 268 Q CB -1.081 27.747 28.738 0.150 0.000 1.039 268 Q HN 0.521 nan 8.270 nan 0.000 0.496 269 D N -0.293 120.103 120.400 -0.006 0.000 2.370 269 D HA 0.374 5.036 4.640 0.038 0.000 0.256 269 D C -0.160 175.873 176.300 -0.445 0.000 1.197 269 D CA 0.103 53.964 54.000 -0.232 0.000 0.922 269 D CB -0.744 39.846 40.800 -0.350 0.000 0.911 269 D HN 0.601 nan 8.370 nan 0.000 0.517 270 F N -1.614 118.420 119.950 0.141 0.000 2.561 270 F HA 0.640 5.190 4.527 0.038 0.000 0.321 270 F C 0.085 175.924 175.800 0.066 0.000 1.065 270 F CA -1.371 56.706 58.000 0.128 0.000 0.934 270 F CB 2.577 41.733 39.000 0.259 0.000 1.215 270 F HN -0.020 nan 8.300 nan 0.000 0.471 271 V N 3.923 123.953 119.914 0.193 0.000 2.808 271 V HA 0.474 4.617 4.120 0.038 0.000 0.308 271 V C -1.189 174.890 176.094 -0.025 0.000 1.099 271 V CA -0.833 61.517 62.300 0.084 0.000 0.920 271 V CB 2.141 34.042 31.823 0.129 0.000 1.014 271 V HN 0.639 nan 8.190 nan 0.000 0.425 272 L N 6.821 127.994 121.223 -0.083 0.000 2.462 272 L HA 0.429 4.792 4.340 0.038 0.000 0.283 272 L C 0.759 177.515 176.870 -0.190 0.000 1.166 272 L CA 0.179 54.923 54.840 -0.160 0.000 0.964 272 L CB 0.010 41.957 42.059 -0.186 0.000 1.294 272 L HN 0.673 nan 8.230 nan 0.000 0.449 273 R N 1.790 122.118 120.500 -0.288 0.000 2.553 273 R HA 0.599 4.962 4.340 0.038 0.000 0.263 273 R C -0.808 175.328 176.300 -0.274 0.000 1.066 273 R CA -0.653 55.169 56.100 -0.463 0.000 1.135 273 R CB 1.681 31.556 30.300 -0.708 0.000 1.148 273 R HN 0.256 nan 8.270 nan 0.000 0.558 274 V N 1.541 121.288 119.914 -0.278 0.000 2.532 274 V HA 0.202 4.345 4.120 0.038 0.000 0.295 274 V C -0.158 175.836 176.094 -0.168 0.000 1.041 274 V CA -0.796 61.402 62.300 -0.170 0.000 0.926 274 V CB 1.622 33.251 31.823 -0.325 0.000 0.992 274 V HN 0.852 nan 8.190 nan 0.000 0.457 275 C N 4.918 124.173 119.300 -0.075 0.000 2.624 275 C HA 0.537 5.020 4.460 0.038 0.000 0.397 275 C C 1.598 176.542 174.990 -0.076 0.000 1.331 275 C CA 0.971 59.924 59.018 -0.108 0.000 1.716 275 C CB -1.107 26.539 27.740 -0.157 0.000 2.452 275 C HN 1.302 nan 8.230 nan 0.000 0.586 276 G N 4.512 113.247 108.800 -0.109 0.000 3.400 276 G HA2 -0.183 3.800 3.960 0.038 0.000 0.209 276 G HA3 -0.183 3.800 3.960 0.038 0.000 0.209 276 G C 0.482 175.296 174.900 -0.143 0.000 1.411 276 G CA 0.047 45.090 45.100 -0.095 0.000 0.917 276 G HN 0.638 nan 8.290 nan 0.000 0.570 277 R N 0.641 121.016 120.500 -0.209 0.000 2.611 277 R HA 0.562 4.925 4.340 0.038 0.000 0.243 277 R C -0.605 175.568 176.300 -0.210 0.000 1.260 277 R CA 0.113 56.056 56.100 -0.261 0.000 1.095 277 R CB 0.110 30.137 30.300 -0.456 0.000 1.259 277 R HN 0.217 nan 8.270 nan 0.000 0.575 278 D N 0.770 121.081 120.400 -0.148 0.000 2.683 278 D HA 0.124 4.787 4.640 0.038 0.000 0.309 278 D C -1.224 175.145 176.300 0.114 0.000 1.238 278 D CA -0.041 53.971 54.000 0.019 0.000 0.936 278 D CB 0.290 41.139 40.800 0.081 0.000 1.001 278 D HN 0.235 nan 8.370 nan 0.000 0.505 279 E N 2.285 122.477 120.200 -0.014 0.000 2.580 279 E HA 0.089 4.461 4.350 0.038 0.000 0.248 279 E C -0.734 175.930 176.600 0.107 0.000 1.018 279 E CA -0.736 55.691 56.400 0.045 0.000 0.775 279 E CB 0.608 30.169 29.700 -0.232 0.000 1.378 279 E HN 0.277 nan 8.360 nan 0.000 0.401 280 Y N 0.895 121.126 120.300 -0.116 0.000 2.359 280 Y HA 0.102 4.674 4.550 0.038 0.000 0.330 280 Y C 1.031 176.951 175.900 0.034 0.000 1.143 280 Y CA -0.915 57.141 58.100 -0.073 0.000 1.318 280 Y CB 0.420 38.817 38.460 -0.106 0.000 1.234 280 Y HN 0.354 nan 8.280 nan 0.000 0.522 281 L N 4.390 125.634 121.223 0.036 0.000 2.990 281 L HA 0.257 4.620 4.340 0.038 0.000 0.231 281 L C 0.191 176.936 176.870 -0.210 0.000 1.341 281 L CA -0.052 54.586 54.840 -0.337 0.000 1.208 281 L CB -0.443 41.305 42.059 -0.518 0.000 1.571 281 L HN 0.497 nan 8.230 nan 0.000 0.453 282 V N -0.402 119.607 119.914 0.159 0.000 3.193 282 V HA 0.976 5.118 4.120 0.038 0.000 0.320 282 V C 0.343 176.620 176.094 0.305 0.000 1.112 282 V CA 0.199 62.602 62.300 0.172 0.000 1.026 282 V CB 1.699 33.614 31.823 0.155 0.000 1.128 282 V HN 0.609 nan 8.190 nan 0.000 0.452 283 G N 2.492 111.411 108.800 0.198 0.000 2.675 283 G HA2 -0.080 3.902 3.960 0.038 0.000 0.686 283 G HA3 -0.080 3.902 3.960 0.038 0.000 0.686 283 G C -0.656 174.352 174.900 0.181 0.000 1.215 283 G CA -0.340 44.868 45.100 0.180 0.000 0.777 283 G HN 0.833 nan 8.290 nan 0.000 0.638 284 E N 1.244 121.515 120.200 0.118 0.000 2.323 284 E HA 0.309 4.682 4.350 0.038 0.000 0.313 284 E C 0.613 177.278 176.600 0.108 0.000 1.236 284 E CA 0.544 57.005 56.400 0.101 0.000 1.333 284 E CB -0.226 29.514 29.700 0.067 0.000 1.138 284 E HN 0.531 nan 8.360 nan 0.000 0.492 285 T N 1.357 116.020 114.554 0.181 0.000 2.893 285 T HA 0.430 4.802 4.350 0.038 0.000 0.291 285 T C -2.584 172.266 174.700 0.251 0.000 1.028 285 T CA -1.821 60.382 62.100 0.172 0.000 0.995 285 T CB 2.082 70.992 68.868 0.071 0.000 1.051 285 T HN -0.041 nan 8.240 nan 0.000 0.470 286 P HA 0.179 nan 4.420 nan 0.000 0.271 286 P C 1.018 178.448 177.300 0.217 0.000 1.220 286 P CA -0.462 62.719 63.100 0.135 0.000 0.768 286 P CB 0.409 32.149 31.700 0.067 0.000 0.848 287 I N 5.020 125.672 120.570 0.135 0.000 2.103 287 I HA -0.403 3.789 4.170 0.038 0.000 0.241 287 I C 2.128 178.328 176.117 0.139 0.000 1.036 287 I CA 2.784 64.137 61.300 0.088 0.000 1.300 287 I CB -1.148 36.845 38.000 -0.013 0.000 1.010 287 I HN 0.303 nan 8.210 nan 0.000 0.406 288 K N 0.293 120.715 120.400 0.038 0.000 2.520 288 K HA -0.072 4.271 4.320 0.038 0.000 0.197 288 K C 1.391 177.976 176.600 -0.025 0.000 1.043 288 K CA 1.708 57.965 56.287 -0.050 0.000 0.944 288 K CB -1.453 30.946 32.500 -0.168 0.000 0.770 288 K HN 0.700 nan 8.250 nan 0.000 0.480 289 N N -0.157 118.590 118.700 0.077 0.000 2.327 289 N HA 0.217 4.980 4.740 0.038 0.000 0.231 289 N C -1.406 174.049 175.510 -0.092 0.000 1.130 289 N CA -0.122 52.917 53.050 -0.018 0.000 0.845 289 N CB -0.028 38.428 38.487 -0.052 0.000 1.073 289 N HN 0.352 nan 8.380 nan 0.000 0.496 290 F N 0.817 120.722 119.950 -0.074 0.000 2.449 290 F HA 0.293 4.843 4.527 0.038 0.000 0.342 290 F C 1.641 177.366 175.800 -0.126 0.000 1.127 290 F CA -0.810 57.155 58.000 -0.058 0.000 0.975 290 F CB 1.714 40.729 39.000 0.026 0.000 1.146 290 F HN -0.177 nan 8.300 nan 0.000 0.444 291 Q N 2.937 122.606 119.800 -0.219 0.000 2.197 291 Q HA -0.289 4.073 4.340 0.038 0.000 0.207 291 Q C 2.131 178.085 176.000 -0.076 0.000 0.984 291 Q CA 1.711 57.253 55.803 -0.436 0.000 0.869 291 Q CB -0.306 27.574 28.738 -1.430 0.000 0.906 291 Q HN 0.878 nan 8.270 nan 0.000 0.426 292 W N 0.762 121.993 121.300 -0.115 0.000 2.379 292 W HA -0.178 4.504 4.660 0.038 0.000 0.307 292 W C 1.916 178.477 176.519 0.070 0.000 1.200 292 W CA 1.054 58.412 57.345 0.022 0.000 1.297 292 W CB 0.174 29.683 29.460 0.083 0.000 1.140 292 W HN -0.063 nan 8.180 nan 0.000 0.507 293 V N 1.593 121.560 119.914 0.090 0.000 2.282 293 V HA -0.349 3.793 4.120 0.038 0.000 0.249 293 V C 2.429 178.450 176.094 -0.121 0.000 1.057 293 V CA 2.226 64.490 62.300 -0.060 0.000 1.032 293 V CB -0.918 30.915 31.823 0.017 0.000 0.645 293 V HN 0.200 nan 8.190 nan 0.000 0.447 294 R N -0.841 119.610 120.500 -0.082 0.000 2.115 294 R HA -0.170 4.192 4.340 0.038 0.000 0.230 294 R C 2.298 178.540 176.300 -0.097 0.000 1.111 294 R CA 1.633 57.675 56.100 -0.096 0.000 0.976 294 R CB -0.576 29.671 30.300 -0.089 0.000 0.870 294 R HN 0.713 nan 8.270 nan 0.000 0.445 295 H N 0.484 119.435 119.070 -0.199 0.000 2.321 295 H HA -0.116 4.463 4.556 0.038 0.000 0.300 295 H C 1.939 177.086 175.328 -0.301 0.000 1.087 295 H CA 1.969 57.883 56.048 -0.223 0.000 1.319 295 H CB -0.319 29.292 29.762 -0.251 0.000 1.379 295 H HN 0.131 nan 8.280 nan 0.000 0.501 296 C N 0.358 119.347 119.300 -0.518 0.000 2.413 296 C HA -0.107 4.376 4.460 0.038 0.000 0.276 296 C C 2.975 177.777 174.990 -0.312 0.000 1.248 296 C CA 1.046 59.766 59.018 -0.498 0.000 1.742 296 C CB -1.214 26.270 27.740 -0.427 0.000 2.017 296 C HN 0.566 nan 8.230 nan 0.000 0.481 297 L N 1.175 122.268 121.223 -0.216 0.000 2.046 297 L HA -0.133 4.229 4.340 0.038 0.000 0.208 297 L C 3.002 179.802 176.870 -0.116 0.000 1.077 297 L CA 2.052 56.819 54.840 -0.121 0.000 0.747 297 L CB -0.906 41.104 42.059 -0.081 0.000 0.896 297 L HN 0.447 nan 8.230 nan 0.000 0.432 298 K N 0.609 120.915 120.400 -0.157 0.000 1.973 298 K HA -0.194 4.149 4.320 0.038 0.000 0.212 298 K C 1.844 178.333 176.600 -0.185 0.000 1.047 298 K CA 1.954 58.153 56.287 -0.147 0.000 0.937 298 K CB -2.267 30.145 32.500 -0.146 0.000 0.721 298 K HN 0.551 nan 8.250 nan 0.000 0.440 299 N N 0.653 119.161 118.700 -0.320 0.000 2.575 299 N HA 0.284 5.047 4.740 0.038 0.000 0.192 299 N C 1.801 177.212 175.510 -0.166 0.000 1.200 299 N CA 1.204 54.099 53.050 -0.258 0.000 0.897 299 N CB -0.837 37.410 38.487 -0.401 0.000 0.990 299 N HN 1.428 nan 8.380 nan 0.000 0.449 300 G N -2.157 106.557 108.800 -0.142 0.000 2.296 300 G HA2 -0.014 3.969 3.960 0.038 0.000 0.282 300 G HA3 -0.014 3.969 3.960 0.038 0.000 0.282 300 G C 0.327 175.178 174.900 -0.083 0.000 1.014 300 G CA 1.467 46.517 45.100 -0.083 0.000 0.812 300 G HN 1.289 nan 8.290 nan 0.000 0.508 301 E N -0.177 119.941 120.200 -0.135 0.000 2.561 301 E HA 0.726 5.098 4.350 0.038 0.000 0.254 301 E C 0.371 176.923 176.600 -0.080 0.000 1.213 301 E CA 0.009 56.349 56.400 -0.099 0.000 0.995 301 E CB 0.306 29.924 29.700 -0.137 0.000 1.233 301 E HN 1.144 nan 8.360 nan 0.000 0.556 302 E N -0.071 120.117 120.200 -0.020 0.000 2.176 302 E HA 0.529 4.902 4.350 0.038 0.000 0.267 302 E C -0.625 175.963 176.600 -0.020 0.000 0.893 302 E CA -0.638 55.749 56.400 -0.021 0.000 0.761 302 E CB 1.018 30.728 29.700 0.017 0.000 1.133 302 E HN 0.511 nan 8.360 nan 0.000 0.409 303 I N 2.867 123.374 120.570 -0.104 0.000 2.872 303 I HA -0.009 4.183 4.170 0.038 0.000 0.291 303 I C 0.237 176.273 176.117 -0.136 0.000 1.216 303 I CA 0.577 61.831 61.300 -0.077 0.000 1.424 303 I CB 0.165 38.119 38.000 -0.076 0.000 1.351 303 I HN 0.532 nan 8.210 nan 0.000 0.592 304 H N 4.218 123.364 119.070 0.126 0.000 3.149 304 H HA 0.368 4.947 4.556 0.038 0.000 0.334 304 H C -0.690 174.663 175.328 0.041 0.000 1.000 304 H CA -0.409 55.697 56.048 0.096 0.000 1.415 304 H CB 1.689 31.483 29.762 0.053 0.000 1.819 304 H HN 0.423 nan 8.280 nan 0.000 0.486 305 V N 1.313 121.285 119.914 0.096 0.000 3.420 305 V HA 0.841 4.984 4.120 0.038 0.000 0.295 305 V C -0.275 175.778 176.094 -0.069 0.000 1.201 305 V CA -0.720 61.568 62.300 -0.020 0.000 0.995 305 V CB 2.005 33.776 31.823 -0.086 0.000 1.244 305 V HN 0.355 nan 8.190 nan 0.000 0.466 306 V N -0.614 119.229 119.914 -0.119 0.000 2.823 306 V HA 0.500 4.642 4.120 0.038 0.000 0.296 306 V C -0.024 175.997 176.094 -0.121 0.000 1.250 306 V CA 0.029 62.269 62.300 -0.099 0.000 0.939 306 V CB 1.535 33.286 31.823 -0.120 0.000 1.062 306 V HN 1.418 nan 8.190 nan 0.000 0.433 307 L N 3.997 125.150 121.223 -0.117 0.000 2.699 307 L HA 0.539 4.901 4.340 0.038 0.000 0.283 307 L C 0.214 177.163 176.870 0.131 0.000 1.166 307 L CA 0.807 55.613 54.840 -0.058 0.000 1.043 307 L CB -0.537 41.429 42.059 -0.156 0.000 1.369 307 L HN 0.802 nan 8.230 nan 0.000 0.462 308 D N 1.851 122.307 120.400 0.094 0.000 2.342 308 D HA 0.432 5.095 4.640 0.038 0.000 0.243 308 D C -0.058 176.285 176.300 0.073 0.000 1.019 308 D CA -0.014 54.012 54.000 0.043 0.000 0.864 308 D CB 2.239 42.961 40.800 -0.131 0.000 1.315 308 D HN 0.540 nan 8.370 nan 0.000 0.468 309 T N 2.125 116.682 114.554 0.006 0.000 2.869 309 T HA 0.384 4.756 4.350 0.038 0.000 0.295 309 T C -2.438 172.266 174.700 0.008 0.000 0.987 309 T CA -1.394 60.665 62.100 -0.069 0.000 1.109 309 T CB 0.965 69.762 68.868 -0.119 0.000 0.932 309 T HN 0.162 nan 8.240 nan 0.000 0.518 310 P HA 0.199 nan 4.420 nan 0.000 0.263 310 P C -2.353 174.977 177.300 0.049 0.000 1.195 310 P CA -0.814 62.334 63.100 0.081 0.000 0.762 310 P CB -0.241 31.487 31.700 0.046 0.000 0.799 311 P HA -0.058 nan 4.420 nan 0.000 0.264 311 P C -0.387 176.905 177.300 -0.012 0.000 1.183 311 P CA 0.441 63.554 63.100 0.022 0.000 0.763 311 P CB 0.220 31.907 31.700 -0.021 0.000 0.807 312 D N 4.567 124.960 120.400 -0.012 0.000 2.383 312 D HA 0.042 4.705 4.640 0.038 0.000 0.245 312 D C -1.096 175.197 176.300 -0.012 0.000 1.263 312 D CA -1.987 52.005 54.000 -0.013 0.000 0.936 312 D CB 0.269 41.061 40.800 -0.014 0.000 1.053 312 D HN 0.220 nan 8.370 nan 0.000 0.507 313 P HA -0.190 nan 4.420 nan 0.000 0.226 313 P C 1.023 178.334 177.300 0.018 0.000 1.146 313 P CA 0.549 63.660 63.100 0.018 0.000 0.773 313 P CB 0.202 31.923 31.700 0.034 0.000 0.772 314 A N 0.177 122.999 122.820 0.002 0.000 1.978 314 A HA -0.170 4.173 4.320 0.038 0.000 0.220 314 A C 2.060 179.642 177.584 -0.004 0.000 1.170 314 A CA 1.416 53.452 52.037 -0.003 0.000 0.636 314 A CB -1.391 17.603 19.000 -0.010 0.000 0.810 314 A HN 0.132 nan 8.150 nan 0.000 0.448 315 L N 0.191 121.411 121.223 -0.005 0.000 2.275 315 L HA -0.093 4.270 4.340 0.038 0.000 0.215 315 L C 0.571 177.442 176.870 0.002 0.000 1.119 315 L CA 1.297 56.132 54.840 -0.009 0.000 0.790 315 L CB -0.498 41.549 42.059 -0.020 0.000 0.919 315 L HN 0.268 nan 8.230 nan 0.000 0.443 316 D N 0.631 121.047 120.400 0.026 0.000 2.519 316 D HA 0.125 4.788 4.640 0.038 0.000 0.238 316 D C 0.774 177.101 176.300 0.045 0.000 1.192 316 D CA 0.291 54.334 54.000 0.072 0.000 0.835 316 D CB -0.270 40.639 40.800 0.183 0.000 0.975 316 D HN 0.444 nan 8.370 nan 0.000 0.490 317 E N 0.411 120.616 120.200 0.009 0.000 2.200 317 E HA 0.372 4.745 4.350 0.038 0.000 0.283 317 E C -0.032 176.553 176.600 -0.026 0.000 1.015 317 E CA -0.671 55.720 56.400 -0.015 0.000 0.819 317 E CB 1.272 30.956 29.700 -0.025 0.000 1.081 317 E HN 0.018 nan 8.360 nan 0.000 0.397 318 V N 2.898 122.789 119.914 -0.038 0.000 2.387 318 V HA 0.530 4.673 4.120 0.038 0.000 0.260 318 V C 1.337 177.389 176.094 -0.071 0.000 1.054 318 V CA -0.124 62.151 62.300 -0.042 0.000 0.967 318 V CB -0.207 31.586 31.823 -0.050 0.000 1.036 318 V HN 1.041 nan 8.190 nan 0.000 0.481 319 R N 3.482 123.914 120.500 -0.113 0.000 2.481 319 R HA 0.363 4.726 4.340 0.038 0.000 0.291 319 R C 0.603 176.812 176.300 -0.151 0.000 0.934 319 R CA 0.874 56.855 56.100 -0.200 0.000 1.116 319 R CB -1.091 28.942 30.300 -0.444 0.000 0.895 319 R HN 1.039 nan 8.270 nan 0.000 0.410 320 K N 1.963 122.289 120.400 -0.123 0.000 2.143 320 K HA 0.336 4.679 4.320 0.038 0.000 0.239 320 K C 0.281 176.833 176.600 -0.080 0.000 1.048 320 K CA 0.945 57.182 56.287 -0.084 0.000 0.867 320 K CB 0.253 32.712 32.500 -0.068 0.000 1.088 320 K HN 0.915 nan 8.250 nan 0.000 0.510 358 D N 0.610 121.033 120.400 0.037 0.000 2.427 358 D HA 0.172 4.834 4.640 0.038 0.000 0.224 358 D C 0.796 177.113 176.300 0.028 0.000 1.157 358 D CA 0.176 54.195 54.000 0.031 0.000 0.828 358 D CB 0.300 41.113 40.800 0.022 0.000 0.974 358 D HN 0.748 nan 8.370 nan 0.000 0.498 359 R N 0.367 120.885 120.500 0.029 0.000 2.539 359 R HA 0.515 4.878 4.340 0.038 0.000 0.275 359 R C 0.428 176.753 176.300 0.042 0.000 1.077 359 R CA -0.034 56.075 56.100 0.016 0.000 1.097 359 R CB -0.572 29.726 30.300 -0.004 0.000 1.018 359 R HN 0.265 nan 8.270 nan 0.000 0.483 360 K N 1.841 122.262 120.400 0.035 0.000 2.350 360 K HA 0.497 4.840 4.320 0.038 0.000 0.279 360 K C -0.132 176.539 176.600 0.119 0.000 1.027 360 K CA -0.276 56.064 56.287 0.088 0.000 0.969 360 K CB 0.234 32.775 32.500 0.069 0.000 0.954 360 K HN 0.881 nan 8.250 nan 0.000 0.474 361 F N 1.767 121.768 119.950 0.085 0.000 2.572 361 F HA 0.429 4.979 4.527 0.038 0.000 0.370 361 F C 0.732 176.662 175.800 0.217 0.000 1.103 361 F CA 0.740 58.810 58.000 0.117 0.000 1.286 361 F CB 0.363 39.413 39.000 0.084 0.000 1.105 361 F HN 0.853 nan 8.300 nan 0.000 0.583 362 R N 4.520 124.501 120.500 -0.865 0.000 2.795 362 R HA 0.877 5.240 4.340 0.038 0.000 0.275 362 R C -2.058 173.917 176.300 -0.541 0.000 0.981 362 R CA -0.350 55.452 56.100 -0.496 0.000 0.917 362 R CB 1.342 31.452 30.300 -0.316 0.000 1.202 362 R HN 0.947 nan 8.270 nan 0.000 0.469 363 V N 0.187 120.153 119.914 0.087 0.000 2.888 363 V HA 0.878 5.021 4.120 0.038 0.000 0.309 363 V C -0.642 175.519 176.094 0.112 0.000 1.114 363 V CA -0.222 62.191 62.300 0.189 0.000 0.940 363 V CB 1.841 33.841 31.823 0.295 0.000 1.021 363 V HN 1.416 nan 8.190 nan 0.000 0.426 364 K N 6.266 126.417 120.400 -0.416 0.000 2.240 364 K HA 0.744 5.086 4.320 0.038 0.000 0.271 364 K C -0.772 175.626 176.600 -0.337 0.000 1.018 364 K CA -0.482 55.337 56.287 -0.779 0.000 0.874 364 K CB 1.288 32.803 32.500 -1.642 0.000 1.098 364 K HN 0.631 nan 8.250 nan 0.000 0.458 365 I N 4.526 124.973 120.570 -0.204 0.000 2.313 365 I HA 0.242 4.435 4.170 0.038 0.000 0.286 365 I C 1.181 177.294 176.117 -0.006 0.000 1.091 365 I CA -0.390 60.862 61.300 -0.079 0.000 1.216 365 I CB 0.668 38.622 38.000 -0.076 0.000 1.434 365 I HN 0.782 nan 8.210 nan 0.000 0.487 366 R N 3.499 123.986 120.500 -0.022 0.000 2.081 366 R HA 0.104 4.467 4.340 0.038 0.000 0.235 366 R C 1.007 177.383 176.300 0.126 0.000 1.131 366 R CA 0.914 57.025 56.100 0.018 0.000 0.960 366 R CB 0.114 30.398 30.300 -0.027 0.000 0.856 366 R HN 0.798 nan 8.270 nan 0.000 0.436 367 G N -0.029 108.869 108.800 0.164 0.000 2.356 367 G HA2 0.240 4.223 3.960 0.038 0.000 0.300 367 G HA3 0.240 4.223 3.960 0.038 0.000 0.300 367 G C -1.623 173.381 174.900 0.174 0.000 1.331 367 G CA -0.771 44.486 45.100 0.261 0.000 0.905 367 G HN 0.185 nan 8.290 nan 0.000 0.587 368 I N -1.713 118.975 120.570 0.197 0.000 2.465 368 I HA 0.825 5.018 4.170 0.038 0.000 0.291 368 I C -1.305 174.842 176.117 0.050 0.000 1.014 368 I CA -0.919 60.449 61.300 0.113 0.000 1.093 368 I CB 2.302 40.412 38.000 0.183 0.000 1.267 368 I HN 0.481 nan 8.210 nan 0.000 0.431 369 D N 5.867 126.254 120.400 -0.021 0.000 2.481 369 D HA 0.706 5.369 4.640 0.038 0.000 0.244 369 D C -1.307 174.953 176.300 -0.066 0.000 1.057 369 D CA -0.530 53.445 54.000 -0.041 0.000 0.848 369 D CB 2.441 43.212 40.800 -0.048 0.000 1.388 369 D HN 0.801 nan 8.370 nan 0.000 0.475 370 I N 3.209 123.739 120.570 -0.067 0.000 2.722 370 I HA 0.416 4.609 4.170 0.038 0.000 0.295 370 I C -2.208 173.865 176.117 -0.073 0.000 1.161 370 I CA -2.557 58.692 61.300 -0.085 0.000 1.032 370 I CB 2.619 40.557 38.000 -0.104 0.000 1.244 370 I HN 0.291 nan 8.210 nan 0.000 0.421 371 P HA -0.048 nan 4.420 nan 0.000 0.216 371 P C -0.464 176.801 177.300 -0.059 0.000 1.153 371 P CA 0.888 63.958 63.100 -0.051 0.000 0.848 371 P CB 0.181 31.855 31.700 -0.042 0.000 0.787 372 V N -2.135 117.742 119.914 -0.062 0.000 2.653 372 V HA 0.563 4.706 4.120 0.038 0.000 0.298 372 V C 0.099 176.156 176.094 -0.062 0.000 1.097 372 V CA -1.069 61.193 62.300 -0.063 0.000 0.908 372 V CB 0.495 32.295 31.823 -0.038 0.000 1.024 372 V HN 0.090 nan 8.190 nan 0.000 0.435 380 T N 0.681 115.349 114.554 0.189 0.000 2.889 380 T HA 0.639 5.012 4.350 0.038 0.000 0.291 380 T C -0.900 173.913 174.700 0.189 0.000 0.995 380 T CA -0.120 62.102 62.100 0.204 0.000 1.092 380 T CB 0.498 69.478 68.868 0.186 0.000 0.954 380 T HN 0.381 nan 8.240 nan 0.000 0.506 381 V N 5.721 125.799 119.914 0.274 0.000 2.924 381 V HA 0.653 4.795 4.120 0.038 0.000 0.300 381 V C -1.210 175.173 176.094 0.481 0.000 1.227 381 V CA -0.855 61.564 62.300 0.197 0.000 0.954 381 V CB 1.821 33.606 31.823 -0.064 0.000 1.055 381 V HN 0.903 nan 8.190 nan 0.000 0.429 382 F N 3.471 123.515 119.950 0.157 0.000 2.620 382 F HA 0.951 5.500 4.527 0.037 0.000 0.320 382 F C -0.938 174.809 175.800 -0.088 0.000 1.069 382 F CA -1.471 56.538 58.000 0.015 0.000 0.953 382 F CB 1.624 40.625 39.000 0.001 0.000 1.322 382 F HN 0.157 nan 8.300 nan 0.000 0.479 383 V N 0.995 120.779 119.914 -0.216 0.000 2.417 383 V HA 0.365 4.508 4.120 0.038 0.000 0.291 383 V C -0.654 175.447 176.094 0.011 0.000 1.024 383 V CA -0.616 61.572 62.300 -0.187 0.000 0.861 383 V CB 1.345 32.974 31.823 -0.323 0.000 0.985 383 V HN 0.887 nan 8.190 nan 0.000 0.436 384 E N 3.900 124.165 120.200 0.109 0.000 2.376 384 E HA 0.589 4.962 4.350 0.038 0.000 0.236 384 E C -0.095 176.608 176.600 0.172 0.000 0.962 384 E CA -0.538 55.981 56.400 0.199 0.000 0.768 384 E CB 1.050 30.947 29.700 0.328 0.000 1.236 384 E HN 0.857 nan 8.360 nan 0.000 0.431 385 A N 4.392 127.326 122.820 0.189 0.000 2.425 385 A HA 0.314 4.656 4.320 0.038 0.000 0.249 385 A C -0.396 177.376 177.584 0.313 0.000 1.084 385 A CA -0.343 51.852 52.037 0.263 0.000 0.781 385 A CB 0.360 19.618 19.000 0.430 0.000 1.019 385 A HN 0.690 nan 8.150 nan 0.000 0.490 386 N N 1.933 120.719 118.700 0.143 0.000 2.430 386 N HA 0.262 5.025 4.740 0.038 0.000 0.290 386 N C -1.255 174.178 175.510 -0.128 0.000 1.063 386 N CA -0.530 52.560 53.050 0.066 0.000 0.883 386 N CB 1.552 40.066 38.487 0.045 0.000 1.465 386 N HN 0.425 nan 8.380 nan 0.000 0.493 387 I N 2.403 122.814 120.570 -0.266 0.000 2.311 387 I HA 0.101 4.294 4.170 0.038 0.000 0.297 387 I C 0.733 176.737 176.117 -0.189 0.000 1.131 387 I CA 0.174 61.253 61.300 -0.369 0.000 1.289 387 I CB -0.477 37.203 38.000 -0.534 0.000 1.446 387 I HN 0.278 nan 8.210 nan 0.000 0.524 388 Q N 4.956 124.663 119.800 -0.154 0.000 2.204 388 Q HA 0.489 4.852 4.340 0.038 0.000 0.254 388 Q C -0.421 175.546 176.000 -0.056 0.000 0.981 388 Q CA -0.621 55.124 55.803 -0.096 0.000 0.897 388 Q CB 2.529 31.203 28.738 -0.106 0.000 1.273 388 Q HN 0.452 nan 8.270 nan 0.000 0.464 389 H N -1.119 117.850 119.070 -0.167 0.000 3.155 389 H HA 0.193 4.772 4.556 0.038 0.000 0.328 389 H C -0.181 175.004 175.328 -0.239 0.000 1.059 389 H CA 0.606 56.531 56.048 -0.205 0.000 1.378 389 H CB 1.199 30.852 29.762 -0.181 0.000 1.998 389 H HN 0.808 nan 8.280 nan 0.000 0.480 390 G N 4.249 112.762 108.800 -0.479 0.000 2.249 390 G HA2 -0.346 3.636 3.960 0.038 0.000 0.273 390 G HA3 -0.346 3.636 3.960 0.038 0.000 0.273 390 G C 0.566 175.313 174.900 -0.254 0.000 1.036 390 G CA 1.270 46.150 45.100 -0.367 0.000 0.824 390 G HN 0.975 nan 8.290 nan 0.000 0.504 391 Q N -1.990 117.682 119.800 -0.214 0.000 2.439 391 Q HA -0.300 4.063 4.340 0.038 0.000 0.247 391 Q C 0.480 176.406 176.000 -0.125 0.000 0.899 391 Q CA 2.041 57.745 55.803 -0.165 0.000 1.201 391 Q CB -0.802 27.828 28.738 -0.180 0.000 1.608 391 Q HN 1.014 nan 8.270 nan 0.000 0.563 392 Q N 0.577 120.320 119.800 -0.095 0.000 2.368 392 Q HA 0.475 4.837 4.340 0.038 0.000 0.263 392 Q C -0.484 175.494 176.000 -0.036 0.000 1.009 392 Q CA -0.538 55.233 55.803 -0.054 0.000 0.818 392 Q CB 1.330 30.056 28.738 -0.020 0.000 1.239 392 Q HN 0.170 nan 8.270 nan 0.000 0.464 393 V N 5.281 125.170 119.914 -0.042 0.000 2.999 393 V HA -0.036 4.106 4.120 0.038 0.000 0.307 393 V C 1.078 177.159 176.094 -0.022 0.000 1.084 393 V CA 0.534 62.814 62.300 -0.033 0.000 1.155 393 V CB 0.538 32.347 31.823 -0.022 0.000 0.975 393 V HN 0.876 nan 8.190 nan 0.000 0.490 394 L N 1.345 122.555 121.223 -0.022 0.000 3.414 394 L HA 0.300 4.663 4.340 0.038 0.000 0.172 394 L C 1.016 177.898 176.870 0.019 0.000 1.268 394 L CA 0.118 54.947 54.840 -0.018 0.000 0.871 394 L CB 0.082 42.113 42.059 -0.046 0.000 1.470 394 L HN 0.573 nan 8.230 nan 0.000 0.600 395 C N -0.301 119.028 119.300 0.048 0.000 2.590 395 C HA 0.483 4.966 4.460 0.038 0.000 0.354 395 C C -0.001 175.134 174.990 0.241 0.000 1.622 395 C CA -0.088 59.038 59.018 0.180 0.000 2.050 395 C CB 1.317 29.272 27.740 0.359 0.000 1.960 395 C HN 0.485 nan 8.230 nan 0.000 0.550 396 Q N 1.315 121.331 119.800 0.360 0.000 2.676 396 Q HA 0.274 4.637 4.340 0.038 0.000 0.223 396 Q C -1.483 174.599 176.000 0.138 0.000 0.807 396 Q CA -0.104 55.884 55.803 0.307 0.000 1.097 396 Q CB 1.195 30.015 28.738 0.136 0.000 1.602 396 Q HN 0.784 nan 8.270 nan 0.000 0.514 397 R N 1.757 122.300 120.500 0.071 0.000 2.637 397 R HA 0.638 5.000 4.340 0.038 0.000 0.291 397 R C -0.250 176.008 176.300 -0.071 0.000 0.963 397 R CA -0.226 55.736 56.100 -0.231 0.000 0.901 397 R CB 1.667 31.477 30.300 -0.816 0.000 1.160 397 R HN 0.484 nan 8.270 nan 0.000 0.457 398 R N -0.266 120.181 120.500 -0.087 0.000 3.173 398 R HA 0.558 4.921 4.340 0.038 0.000 0.225 398 R C -0.579 175.647 176.300 -0.123 0.000 1.587 398 R CA -0.748 55.327 56.100 -0.043 0.000 1.033 398 R CB 1.613 31.896 30.300 -0.027 0.000 1.804 398 R HN 0.727 nan 8.270 nan 0.000 0.526 399 T N -1.963 112.509 114.554 -0.138 0.000 2.883 399 T HA 0.333 4.706 4.350 0.038 0.000 0.296 399 T C -0.475 174.182 174.700 -0.071 0.000 1.117 399 T CA -0.996 60.939 62.100 -0.274 0.000 1.006 399 T CB 1.594 69.934 68.868 -0.880 0.000 1.191 399 T HN 0.530 nan 8.240 nan 0.000 0.508 400 S N 1.149 116.918 115.700 0.115 0.000 2.505 400 S HA 0.342 4.835 4.470 0.038 0.000 0.276 400 S C -2.599 172.276 174.600 0.458 0.000 1.274 400 S CA -1.116 57.232 58.200 0.247 0.000 1.053 400 S CB -0.079 63.286 63.200 0.275 0.000 0.919 400 S HN 0.580 nan 8.310 nan 0.000 0.490 401 P HA 0.171 nan 4.420 nan 0.000 0.240 401 P C 0.383 177.870 177.300 0.312 0.000 1.594 401 P CA 0.407 63.711 63.100 0.341 0.000 1.184 401 P CB -0.727 31.069 31.700 0.160 0.000 1.915 402 K N 2.968 123.599 120.400 0.385 0.000 2.118 402 K HA 0.382 4.724 4.320 0.038 0.000 0.240 402 K C -2.429 174.227 176.600 0.093 0.000 1.035 402 K CA -1.707 54.630 56.287 0.082 0.000 0.899 402 K CB -1.452 30.855 32.500 -0.320 0.000 1.085 402 K HN 0.126 nan 8.250 nan 0.000 0.498 403 P HA 0.122 nan 4.420 nan 0.000 0.269 403 P C -0.879 176.517 177.300 0.161 0.000 1.215 403 P CA -0.149 62.998 63.100 0.079 0.000 0.780 403 P CB 0.188 31.896 31.700 0.014 0.000 0.898 404 F N 3.269 123.237 119.950 0.031 0.000 2.293 404 F HA 0.442 4.992 4.527 0.039 0.000 0.370 404 F C -0.341 175.473 175.800 0.024 0.000 1.090 404 F CA -0.253 57.777 58.000 0.051 0.000 1.133 404 F CB -0.441 38.615 39.000 0.094 0.000 1.360 404 F HN 0.202 nan 8.300 nan 0.000 0.489 405 T N 0.394 114.848 114.554 -0.166 0.000 2.883 405 T HA 0.463 4.836 4.350 0.038 0.000 0.301 405 T C 0.882 175.445 174.700 -0.228 0.000 1.158 405 T CA -0.140 61.794 62.100 -0.277 0.000 1.007 405 T CB 1.315 70.097 68.868 -0.144 0.000 1.186 405 T HN 0.414 nan 8.240 nan 0.000 0.499 406 E N 0.155 120.220 120.200 -0.224 0.000 2.407 406 E HA -0.248 4.125 4.350 0.038 0.000 0.222 406 E C 0.603 177.147 176.600 -0.092 0.000 1.104 406 E CA 2.374 58.685 56.400 -0.149 0.000 0.876 406 E CB -0.660 28.971 29.700 -0.114 0.000 0.749 406 E HN 0.951 nan 8.360 nan 0.000 0.470 407 E N -1.769 118.383 120.200 -0.081 0.000 2.331 407 E HA 0.522 4.895 4.350 0.038 0.000 0.275 407 E C -1.824 174.736 176.600 -0.068 0.000 0.895 407 E CA -0.509 55.858 56.400 -0.056 0.000 0.753 407 E CB 2.440 32.105 29.700 -0.058 0.000 1.216 407 E HN 0.140 nan 8.360 nan 0.000 0.434 408 V N 4.725 124.604 119.914 -0.058 0.000 2.577 408 V HA 0.331 4.473 4.120 0.038 0.000 0.294 408 V C -0.515 175.478 176.094 -0.167 0.000 1.052 408 V CA -0.699 61.498 62.300 -0.172 0.000 0.891 408 V CB 1.260 32.946 31.823 -0.229 0.000 1.017 408 V HN 0.636 nan 8.190 nan 0.000 0.436 409 L N 3.810 124.905 121.223 -0.214 0.000 2.295 409 L HA 0.458 4.821 4.340 0.038 0.000 0.285 409 L C 0.357 177.117 176.870 -0.182 0.000 1.035 409 L CA -0.197 54.577 54.840 -0.111 0.000 0.806 409 L CB 1.796 43.809 42.059 -0.076 0.000 1.214 409 L HN 0.698 nan 8.230 nan 0.000 0.426 410 W N 1.044 122.339 121.300 -0.009 0.000 2.893 410 W HA 0.043 4.726 4.660 0.039 0.000 0.253 410 W C 1.203 177.706 176.519 -0.028 0.000 1.171 410 W CA 0.060 57.402 57.345 -0.005 0.000 1.480 410 W CB 0.185 29.648 29.460 0.006 0.000 0.963 410 W HN 0.815 nan 8.180 nan 0.000 0.637 411 N N 0.886 119.679 118.700 0.156 0.000 2.696 411 N HA -0.225 4.538 4.740 0.038 0.000 0.249 411 N C -0.877 174.640 175.510 0.011 0.000 1.090 411 N CA 0.791 53.856 53.050 0.026 0.000 0.716 411 N CB -1.222 37.273 38.487 0.014 0.000 1.020 411 N HN -0.094 nan 8.380 nan 0.000 0.548 412 V N 0.519 120.463 119.914 0.049 0.000 2.398 412 V HA 0.585 4.728 4.120 0.038 0.000 0.286 412 V C -0.028 176.055 176.094 -0.018 0.000 1.026 412 V CA -0.827 61.505 62.300 0.054 0.000 0.868 412 V CB 0.547 32.438 31.823 0.113 0.000 0.982 412 V HN 0.317 nan 8.190 nan 0.000 0.443 413 W N 5.662 126.962 121.300 0.001 0.000 2.218 413 W HA 0.548 5.231 4.660 0.038 0.000 0.326 413 W C -0.187 176.290 176.519 -0.070 0.000 1.276 413 W CA -0.369 56.956 57.345 -0.033 0.000 1.210 413 W CB 1.065 30.501 29.460 -0.041 0.000 1.143 413 W HN 0.408 nan 8.180 nan 0.000 0.563 414 L N 3.510 124.873 121.223 0.233 0.000 2.316 414 L HA 0.212 4.575 4.340 0.038 0.000 0.280 414 L C -0.271 176.577 176.870 -0.038 0.000 1.006 414 L CA -0.826 54.009 54.840 -0.007 0.000 0.836 414 L CB 1.329 43.334 42.059 -0.091 0.000 1.221 414 L HN 0.300 nan 8.230 nan 0.000 0.418 415 E N 3.530 123.667 120.200 -0.106 0.000 2.001 415 E HA 0.318 4.690 4.350 0.038 0.000 0.279 415 E C -0.789 175.754 176.600 -0.095 0.000 1.045 415 E CA -0.223 56.136 56.400 -0.068 0.000 0.833 415 E CB 0.362 30.023 29.700 -0.066 0.000 1.077 415 E HN 0.153 nan 8.360 nan 0.000 0.397 416 F N 1.484 121.509 119.950 0.126 0.000 2.373 416 F HA 0.115 4.664 4.527 0.037 0.000 0.302 416 F C 2.059 177.926 175.800 0.110 0.000 1.247 416 F CA 0.589 58.690 58.000 0.168 0.000 1.169 416 F CB 0.712 39.909 39.000 0.329 0.000 1.309 416 F HN 0.596 nan 8.300 nan 0.000 0.537 417 S N 0.258 116.134 115.700 0.293 0.000 2.427 417 S HA 0.132 4.624 4.470 0.038 0.000 0.224 417 S C 0.679 175.369 174.600 0.151 0.000 1.047 417 S CA -0.043 58.252 58.200 0.157 0.000 0.953 417 S CB -0.685 62.576 63.200 0.101 0.000 0.824 417 S HN 0.351 nan 8.310 nan 0.000 0.502 418 I N 3.118 123.788 120.570 0.166 0.000 2.826 418 I HA 0.186 4.378 4.170 0.038 0.000 0.295 418 I C 0.875 177.067 176.117 0.125 0.000 1.213 418 I CA 0.198 61.554 61.300 0.094 0.000 1.436 418 I CB -0.208 37.806 38.000 0.022 0.000 1.348 418 I HN 0.419 nan 8.210 nan 0.000 0.570 419 K N 6.291 126.737 120.400 0.077 0.000 2.218 419 K HA 0.252 4.595 4.320 0.038 0.000 0.276 419 K C 0.863 177.516 176.600 0.088 0.000 1.022 419 K CA -0.586 55.752 56.287 0.086 0.000 0.946 419 K CB 0.515 33.045 32.500 0.050 0.000 1.000 419 K HN 0.527 nan 8.250 nan 0.000 0.468 420 I N 1.787 122.429 120.570 0.121 0.000 2.367 420 I HA -0.329 3.864 4.170 0.038 0.000 0.256 420 I C 2.823 178.982 176.117 0.071 0.000 1.132 420 I CA 2.600 63.974 61.300 0.122 0.000 1.397 420 I CB -1.727 36.348 38.000 0.124 0.000 1.074 420 I HN 0.887 nan 8.210 nan 0.000 0.435 421 K N 0.545 120.977 120.400 0.054 0.000 2.044 421 K HA -0.076 4.266 4.320 0.038 0.000 0.204 421 K C 2.034 178.643 176.600 0.015 0.000 1.049 421 K CA 1.503 57.813 56.287 0.037 0.000 0.945 421 K CB -1.890 30.628 32.500 0.031 0.000 0.724 421 K HN 0.489 nan 8.250 nan 0.000 0.440 422 D N 0.660 121.062 120.400 0.003 0.000 2.315 422 D HA 0.067 4.730 4.640 0.038 0.000 0.211 422 D C 0.996 177.274 176.300 -0.038 0.000 0.977 422 D CA 0.850 54.834 54.000 -0.025 0.000 0.894 422 D CB -0.566 40.218 40.800 -0.026 0.000 0.910 422 D HN 0.451 nan 8.370 nan 0.000 0.490 423 L N 1.342 122.546 121.223 -0.031 0.000 2.500 423 L HA 0.267 4.630 4.340 0.038 0.000 0.272 423 L C -1.934 174.926 176.870 -0.016 0.000 1.149 423 L CA -1.334 53.472 54.840 -0.057 0.000 0.897 423 L CB 0.946 42.958 42.059 -0.079 0.000 1.178 423 L HN 0.248 nan 8.230 nan 0.000 0.473 424 P HA 0.155 nan 4.420 nan 0.000 0.292 424 P C -0.944 176.411 177.300 0.091 0.000 1.283 424 P CA -0.900 62.241 63.100 0.069 0.000 0.835 424 P CB 1.367 33.112 31.700 0.075 0.000 1.017 425 K N 1.604 122.044 120.400 0.067 0.000 2.491 425 K HA 0.210 4.553 4.320 0.038 0.000 0.279 425 K C 0.859 177.513 176.600 0.090 0.000 1.026 425 K CA 1.162 57.459 56.287 0.016 0.000 1.070 425 K CB -0.745 31.653 32.500 -0.170 0.000 0.887 425 K HN 0.850 nan 8.250 nan 0.000 0.481 426 G N 1.987 110.844 108.800 0.095 0.000 2.164 426 G HA2 -0.167 3.815 3.960 0.038 0.000 0.212 426 G HA3 -0.167 3.815 3.960 0.038 0.000 0.212 426 G C -0.301 174.477 174.900 -0.202 0.000 1.031 426 G CA -0.113 44.941 45.100 -0.077 0.000 0.730 426 G HN 0.818 nan 8.290 nan 0.000 0.501 427 A N 0.675 123.428 122.820 -0.113 0.000 2.277 427 A HA 0.785 5.128 4.320 0.038 0.000 0.318 427 A C 0.615 178.089 177.584 -0.183 0.000 1.339 427 A CA -0.532 51.437 52.037 -0.113 0.000 0.875 427 A CB 0.560 19.535 19.000 -0.042 0.000 1.158 427 A HN 0.741 nan 8.150 nan 0.000 0.514 428 L N 1.553 122.658 121.223 -0.197 0.000 2.483 428 L HA 0.136 4.498 4.340 0.038 0.000 0.275 428 L C 0.214 176.969 176.870 -0.192 0.000 1.220 428 L CA -0.380 54.350 54.840 -0.184 0.000 0.833 428 L CB 0.523 42.490 42.059 -0.153 0.000 1.102 428 L HN 0.675 nan 8.230 nan 0.000 0.490 429 L N 3.754 124.877 121.223 -0.168 0.000 2.426 429 L HA 0.297 4.660 4.340 0.038 0.000 0.255 429 L C -0.075 176.749 176.870 -0.078 0.000 1.080 429 L CA -0.036 54.705 54.840 -0.165 0.000 0.960 429 L CB 0.174 42.147 42.059 -0.143 0.000 1.326 429 L HN 0.528 nan 8.230 nan 0.000 0.441 430 N N 4.966 123.628 118.700 -0.062 0.000 2.442 430 N HA 0.180 4.943 4.740 0.038 0.000 0.265 430 N C -1.354 174.180 175.510 0.040 0.000 1.138 430 N CA -0.077 52.973 53.050 -0.001 0.000 0.956 430 N CB 0.701 39.178 38.487 -0.018 0.000 1.067 430 N HN 0.666 nan 8.380 nan 0.000 0.474 431 L N 3.079 124.341 121.223 0.065 0.000 2.333 431 L HA 0.396 4.758 4.340 0.038 0.000 0.280 431 L C 0.059 176.972 176.870 0.072 0.000 1.004 431 L CA -0.589 54.289 54.840 0.064 0.000 0.820 431 L CB 1.755 43.839 42.059 0.043 0.000 1.247 431 L HN 0.455 nan 8.230 nan 0.000 0.416 432 Q N 3.570 123.389 119.800 0.032 0.000 2.484 432 Q HA 0.677 5.040 4.340 0.038 0.000 0.285 432 Q C -1.245 174.646 176.000 -0.182 0.000 1.097 432 Q CA -0.877 54.889 55.803 -0.062 0.000 0.802 432 Q CB 3.501 32.169 28.738 -0.118 0.000 1.444 432 Q HN 0.492 nan 8.270 nan 0.000 0.429 433 I N 1.505 121.870 120.570 -0.341 0.000 2.466 433 I HA 0.407 4.600 4.170 0.038 0.000 0.289 433 I C -1.370 174.337 176.117 -0.683 0.000 1.026 433 I CA -0.631 60.455 61.300 -0.356 0.000 1.078 433 I CB 1.138 39.089 38.000 -0.081 0.000 1.249 433 I HN 0.541 nan 8.210 nan 0.000 0.429 434 Y N 4.610 124.506 120.300 -0.674 0.000 2.587 434 Y HA 0.670 5.243 4.550 0.038 0.000 0.337 434 Y C 0.348 175.897 175.900 -0.585 0.000 1.065 434 Y CA -0.529 57.132 58.100 -0.732 0.000 1.126 434 Y CB 1.850 39.611 38.460 -1.165 0.000 1.279 434 Y HN 0.692 nan 8.280 nan 0.000 0.489 461 L N 3.407 124.322 121.223 -0.514 0.000 2.547 461 L HA 0.391 4.754 4.340 0.038 0.000 0.218 461 L C -0.628 175.748 176.870 -0.824 0.000 1.048 461 L CA 0.116 54.522 54.840 -0.724 0.000 0.859 461 L CB 0.367 41.797 42.059 -1.049 0.000 1.128 461 L HN 0.478 nan 8.230 nan 0.000 0.483 462 Y N -0.872 119.379 120.300 -0.082 0.000 2.524 462 Y HA 0.541 5.114 4.550 0.038 0.000 0.347 462 Y C -0.640 175.264 175.900 0.006 0.000 1.005 462 Y CA -1.649 56.429 58.100 -0.037 0.000 1.025 462 Y CB 1.400 39.820 38.460 -0.068 0.000 1.275 462 Y HN -0.005 nan 8.280 nan 0.000 0.460 463 Y N -0.642 119.756 120.300 0.163 0.000 2.644 463 Y HA 0.913 5.487 4.550 0.039 0.000 0.338 463 Y C -1.907 174.110 175.900 0.195 0.000 1.119 463 Y CA -1.712 56.447 58.100 0.098 0.000 1.060 463 Y CB 1.644 40.130 38.460 0.044 0.000 1.294 463 Y HN 0.653 nan 8.280 nan 0.000 0.472 464 V N 1.742 121.838 119.914 0.303 0.000 3.177 464 V HA 0.491 4.634 4.120 0.038 0.000 0.287 464 V C -2.141 174.074 176.094 0.202 0.000 1.465 464 V CA -0.793 61.645 62.300 0.230 0.000 1.020 464 V CB 2.435 34.290 31.823 0.053 0.000 1.152 464 V HN 1.038 nan 8.190 nan 0.000 0.448 465 N N 2.991 121.795 118.700 0.172 0.000 2.312 465 N HA 0.779 5.542 4.740 0.038 0.000 0.296 465 N C -1.729 173.791 175.510 0.018 0.000 1.193 465 N CA -0.400 52.693 53.050 0.071 0.000 0.773 465 N CB 2.618 41.134 38.487 0.049 0.000 1.435 465 N HN 0.634 nan 8.380 nan 0.000 0.484 466 L N 0.909 122.098 121.223 -0.056 0.000 2.470 466 L HA 0.472 4.834 4.340 0.038 0.000 0.268 466 L C -1.313 175.473 176.870 -0.140 0.000 0.964 466 L CA -0.446 54.325 54.840 -0.114 0.000 0.839 466 L CB 1.605 43.528 42.059 -0.227 0.000 1.276 466 L HN 0.436 nan 8.230 nan 0.000 0.403 467 L N 6.337 127.483 121.223 -0.129 0.000 2.407 467 L HA 0.157 4.519 4.340 0.038 0.000 0.282 467 L C 1.257 178.063 176.870 -0.108 0.000 1.110 467 L CA -0.090 54.658 54.840 -0.154 0.000 0.863 467 L CB 0.777 42.724 42.059 -0.186 0.000 1.207 467 L HN 0.835 nan 8.230 nan 0.000 0.454 468 L N 4.398 125.544 121.223 -0.129 0.000 1.990 468 L HA -0.166 4.197 4.340 0.038 0.000 0.213 468 L C 0.916 177.771 176.870 -0.026 0.000 1.072 468 L CA 1.565 56.344 54.840 -0.101 0.000 0.755 468 L CB -0.135 41.807 42.059 -0.193 0.000 0.889 468 L HN 0.521 nan 8.230 nan 0.000 0.432 469 I N 0.548 121.115 120.570 -0.006 0.000 2.315 469 I HA 0.066 4.258 4.170 0.038 0.000 0.291 469 I C -0.243 175.945 176.117 0.117 0.000 1.006 469 I CA -0.839 60.483 61.300 0.036 0.000 1.265 469 I CB 1.214 39.217 38.000 0.005 0.000 1.387 469 I HN 0.188 nan 8.210 nan 0.000 0.475 470 D N 4.825 125.282 120.400 0.095 0.000 2.411 470 D HA -0.019 4.644 4.640 0.038 0.000 0.251 470 D C 1.408 177.751 176.300 0.073 0.000 1.201 470 D CA -0.175 53.930 54.000 0.175 0.000 0.996 470 D CB 0.373 41.214 40.800 0.069 0.000 1.101 470 D HN 0.581 nan 8.370 nan 0.000 0.504 471 H N -0.473 118.624 119.070 0.045 0.000 2.550 471 H HA -0.097 4.482 4.556 0.038 0.000 0.292 471 H C 0.347 175.508 175.328 -0.278 0.000 1.072 471 H CA 0.807 56.714 56.048 -0.235 0.000 1.217 471 H CB -0.354 29.280 29.762 -0.213 0.000 1.355 471 H HN 0.385 nan 8.280 nan 0.000 0.586 472 R N -0.633 119.637 120.500 -0.384 0.000 2.652 472 R HA 0.120 4.482 4.340 0.038 0.000 0.372 472 R C -0.271 176.150 176.300 0.201 0.000 1.104 472 R CA -0.286 55.734 56.100 -0.133 0.000 1.072 472 R CB 0.190 30.311 30.300 -0.298 0.000 1.367 472 R HN 0.066 nan 8.270 nan 0.000 0.577 473 F N -0.766 119.089 119.950 -0.159 0.000 2.691 473 F HA -0.340 4.210 4.527 0.038 0.000 0.487 473 F C 0.590 176.370 175.800 -0.034 0.000 0.547 473 F CA 0.431 58.390 58.000 -0.069 0.000 0.988 473 F CB -1.420 37.555 39.000 -0.043 0.000 1.675 473 F HN 0.041 nan 8.300 nan 0.000 0.269 474 L N 1.404 122.685 121.223 0.097 0.000 2.492 474 L HA 0.164 4.527 4.340 0.038 0.000 0.280 474 L C 0.699 177.599 176.870 0.050 0.000 1.240 474 L CA -0.015 54.862 54.840 0.062 0.000 0.831 474 L CB 0.251 42.316 42.059 0.011 0.000 1.100 474 L HN 0.200 nan 8.230 nan 0.000 0.505 475 L N 1.853 123.110 121.223 0.057 0.000 2.307 475 L HA 0.402 4.765 4.340 0.038 0.000 0.282 475 L C 0.358 177.269 176.870 0.069 0.000 1.051 475 L CA -0.687 54.189 54.840 0.060 0.000 0.804 475 L CB 1.218 43.320 42.059 0.072 0.000 1.197 475 L HN 0.541 nan 8.230 nan 0.000 0.431 476 R N 3.545 124.092 120.500 0.078 0.000 2.484 476 R HA 0.428 4.791 4.340 0.038 0.000 0.293 476 R C -0.643 175.753 176.300 0.160 0.000 1.023 476 R CA 0.713 56.877 56.100 0.106 0.000 1.037 476 R CB 0.299 30.612 30.300 0.023 0.000 0.951 476 R HN 0.761 nan 8.270 nan 0.000 0.418 477 R N 2.430 123.049 120.500 0.199 0.000 2.512 477 R HA 0.617 4.980 4.340 0.038 0.000 0.291 477 R C -0.312 176.102 176.300 0.190 0.000 1.097 477 R CA -0.195 56.016 56.100 0.186 0.000 0.940 477 R CB 1.090 31.449 30.300 0.099 0.000 1.198 477 R HN 1.082 nan 8.270 nan 0.000 0.429 478 G N 0.368 109.288 108.800 0.200 0.000 2.356 478 G HA2 0.306 4.289 3.960 0.038 0.000 0.288 478 G HA3 0.306 4.289 3.960 0.038 0.000 0.288 478 G C -1.742 173.126 174.900 -0.053 0.000 1.302 478 G CA -0.819 44.290 45.100 0.016 0.000 0.887 478 G HN 0.566 nan 8.290 nan 0.000 0.521 479 E N -0.149 119.901 120.200 -0.249 0.000 2.227 479 E HA 0.584 4.957 4.350 0.038 0.000 0.282 479 E C -1.274 175.043 176.600 -0.472 0.000 1.015 479 E CA 0.011 56.285 56.400 -0.210 0.000 0.823 479 E CB 1.536 31.148 29.700 -0.147 0.000 1.081 479 E HN 0.389 nan 8.360 nan 0.000 0.396 480 Y N -0.125 120.135 120.300 -0.067 0.000 2.524 480 Y HA 0.330 4.903 4.550 0.038 0.000 0.347 480 Y C -0.207 175.645 175.900 -0.080 0.000 1.005 480 Y CA -0.916 57.131 58.100 -0.089 0.000 1.025 480 Y CB 2.001 40.370 38.460 -0.151 0.000 1.275 480 Y HN 0.088 nan 8.280 nan 0.000 0.460 481 V N 4.804 124.763 119.914 0.075 0.000 2.380 481 V HA 0.304 4.447 4.120 0.038 0.000 0.268 481 V C -0.588 175.470 176.094 -0.060 0.000 1.008 481 V CA -0.700 61.584 62.300 -0.026 0.000 0.823 481 V CB 0.503 32.295 31.823 -0.051 0.000 1.053 481 V HN 0.567 nan 8.190 nan 0.000 0.446 482 L N 4.104 125.278 121.223 -0.081 0.000 2.319 482 L HA 0.498 4.861 4.340 0.038 0.000 0.280 482 L C 0.184 176.889 176.870 -0.275 0.000 1.099 482 L CA -0.342 54.445 54.840 -0.089 0.000 0.828 482 L CB 0.457 42.493 42.059 -0.038 0.000 1.150 482 L HN 0.519 nan 8.230 nan 0.000 0.442 483 H N 4.914 123.893 119.070 -0.152 0.000 2.594 483 H HA 0.371 4.950 4.556 0.038 0.000 0.304 483 H C -0.048 175.018 175.328 -0.437 0.000 1.068 483 H CA -0.305 55.585 56.048 -0.264 0.000 1.308 483 H CB 1.328 30.928 29.762 -0.270 0.000 1.409 483 H HN 0.531 nan 8.280 nan 0.000 0.460 484 M N 1.961 121.356 119.600 -0.342 0.000 2.159 484 M HA 0.185 4.687 4.480 0.038 0.000 0.293 484 M C -0.385 175.549 176.300 -0.609 0.000 1.186 484 M CA -0.117 54.923 55.300 -0.434 0.000 1.073 484 M CB 0.937 33.419 32.600 -0.197 0.000 1.419 484 M HN 0.404 nan 8.290 nan 0.000 0.490 485 W N 0.416 121.518 121.300 -0.330 0.000 2.520 485 W HA 0.496 5.179 4.660 0.038 0.000 0.323 485 W C -0.235 176.220 176.519 -0.107 0.000 1.062 485 W CA -0.478 56.677 57.345 -0.318 0.000 1.215 485 W CB 0.718 29.831 29.460 -0.579 0.000 1.340 485 W HN 0.463 nan 8.180 nan 0.000 0.516 486 Q N 2.521 122.506 119.800 0.307 0.000 2.235 486 Q HA 0.372 4.735 4.340 0.038 0.000 0.250 486 Q C -0.459 175.668 176.000 0.212 0.000 0.909 486 Q CA -0.684 55.318 55.803 0.332 0.000 0.910 486 Q CB 0.926 29.892 28.738 0.380 0.000 1.223 486 Q HN 0.316 nan 8.270 nan 0.000 0.432 487 I N 2.172 122.792 120.570 0.083 0.000 2.519 487 I HA 0.142 4.335 4.170 0.038 0.000 0.287 487 I C 0.648 176.807 176.117 0.071 0.000 1.047 487 I CA 0.292 61.654 61.300 0.104 0.000 1.381 487 I CB 1.133 39.155 38.000 0.037 0.000 1.417 487 I HN 0.639 nan 8.210 nan 0.000 0.540 498 N N 1.656 120.430 118.700 0.123 0.000 2.453 498 N HA 0.474 5.237 4.740 0.038 0.000 0.290 498 N C 0.257 175.775 175.510 0.014 0.000 1.250 498 N CA 0.289 53.363 53.050 0.039 0.000 0.815 498 N CB 1.725 40.205 38.487 -0.010 0.000 1.381 498 N HN 0.118 nan 8.380 nan 0.000 0.510 499 A N -0.045 122.789 122.820 0.023 0.000 2.121 499 A HA -0.105 4.238 4.320 0.038 0.000 0.218 499 A C 1.131 178.726 177.584 0.019 0.000 1.154 499 A CA 1.111 53.168 52.037 0.033 0.000 0.679 499 A CB -0.465 18.431 19.000 -0.172 0.000 0.795 499 A HN 0.710 nan 8.150 nan 0.000 0.458 500 D N 0.238 120.563 120.400 -0.126 0.000 2.144 500 D HA -0.084 4.579 4.640 0.038 0.000 0.200 500 D C 1.512 177.672 176.300 -0.234 0.000 0.978 500 D CA 0.981 54.763 54.000 -0.364 0.000 0.833 500 D CB -0.222 40.070 40.800 -0.847 0.000 0.961 500 D HN 0.430 nan 8.370 nan 0.000 0.470 501 K N 0.286 120.543 120.400 -0.238 0.000 2.574 501 K HA 0.006 4.348 4.320 0.038 0.000 0.193 501 K C 1.658 178.148 176.600 -0.184 0.000 1.035 501 K CA 0.219 56.238 56.287 -0.448 0.000 0.982 501 K CB 0.178 32.297 32.500 -0.634 0.000 0.795 501 K HN 0.231 nan 8.250 nan 0.000 0.491 502 L N -0.282 120.907 121.223 -0.056 0.000 2.408 502 L HA 0.018 4.380 4.340 0.038 0.000 0.215 502 L C 1.330 178.193 176.870 -0.012 0.000 1.081 502 L CA -0.052 54.784 54.840 -0.007 0.000 0.840 502 L CB -0.011 42.094 42.059 0.076 0.000 1.002 502 L HN 0.009 nan 8.230 nan 0.000 0.468 503 T N -0.255 114.251 114.554 -0.081 0.000 2.939 503 T HA -0.013 4.360 4.350 0.038 0.000 0.312 503 T C 1.339 175.985 174.700 -0.089 0.000 1.064 503 T CA 0.791 62.748 62.100 -0.239 0.000 1.136 503 T CB 1.010 69.513 68.868 -0.609 0.000 1.035 503 T HN 0.427 nan 8.240 nan 0.000 0.538 504 S N 3.229 118.863 115.700 -0.111 0.000 2.446 504 S HA 0.492 4.985 4.470 0.038 0.000 0.225 504 S C 1.178 175.802 174.600 0.040 0.000 1.016 504 S CA 0.569 58.739 58.200 -0.049 0.000 0.943 504 S CB -0.212 62.906 63.200 -0.137 0.000 0.786 504 S HN 1.202 nan 8.310 nan 0.000 0.508 505 A N 2.249 125.086 122.820 0.028 0.000 2.498 505 A HA 0.495 4.838 4.320 0.038 0.000 0.239 505 A C 0.889 178.687 177.584 0.356 0.000 1.068 505 A CA 0.439 52.550 52.037 0.122 0.000 0.766 505 A CB -0.296 18.736 19.000 0.054 0.000 1.003 505 A HN 0.596 nan 8.150 nan 0.000 0.497 506 T N 0.537 115.193 114.554 0.170 0.000 2.944 506 T HA 0.386 4.759 4.350 0.038 0.000 0.284 506 T C 0.215 174.640 174.700 -0.460 0.000 1.010 506 T CA -0.996 61.063 62.100 -0.069 0.000 1.025 506 T CB 0.716 69.550 68.868 -0.057 0.000 1.079 506 T HN 0.618 nan 8.240 nan 0.000 0.516 507 N N 1.687 119.692 118.700 -1.159 0.000 2.454 507 N HA 0.105 4.867 4.740 0.038 0.000 0.260 507 N C -1.794 173.409 175.510 -0.512 0.000 1.218 507 N CA -1.629 50.666 53.050 -1.260 0.000 0.904 507 N CB 1.083 38.891 38.487 -1.131 0.000 1.065 507 N HN 0.338 nan 8.380 nan 0.000 0.462 508 P HA -0.001 nan 4.420 nan 0.000 0.225 508 P C -0.350 176.831 177.300 -0.199 0.000 1.156 508 P CA 0.745 63.746 63.100 -0.165 0.000 0.787 508 P CB 0.221 31.895 31.700 -0.043 0.000 0.802 509 D N 0.292 120.550 120.400 -0.236 0.000 2.558 509 D HA 0.037 4.700 4.640 0.038 0.000 0.221 509 D C 0.507 176.630 176.300 -0.295 0.000 1.143 509 D CA -0.094 53.779 54.000 -0.211 0.000 1.010 509 D CB -0.285 40.428 40.800 -0.145 0.000 1.068 509 D HN -0.054 nan 8.370 nan 0.000 0.511 510 K N 1.616 121.780 120.400 -0.394 0.000 2.569 510 K HA -0.023 4.320 4.320 0.038 0.000 0.193 510 K C 1.203 177.622 176.600 -0.302 0.000 1.026 510 K CA 0.149 56.064 56.287 -0.619 0.000 1.093 510 K CB 0.461 32.499 32.500 -0.769 0.000 0.849 510 K HN 0.472 nan 8.250 nan 0.000 0.509 511 E N 1.228 121.314 120.200 -0.190 0.000 2.216 511 E HA -0.064 4.308 4.350 0.038 0.000 0.192 511 E C 0.069 176.621 176.600 -0.080 0.000 0.973 511 E CA 0.864 57.197 56.400 -0.112 0.000 0.851 511 E CB 0.391 30.039 29.700 -0.087 0.000 0.804 511 E HN 0.369 nan 8.360 nan 0.000 0.477 512 N N -0.410 118.240 118.700 -0.084 0.000 2.301 512 N HA 0.027 4.789 4.740 0.038 0.000 0.247 512 N C -0.938 174.525 175.510 -0.077 0.000 1.347 512 N CA -0.164 52.849 53.050 -0.061 0.000 0.844 512 N CB 1.188 39.652 38.487 -0.039 0.000 1.332 512 N HN -0.052 nan 8.380 nan 0.000 0.494 513 S N -0.159 115.484 115.700 -0.096 0.000 2.617 513 S HA 0.570 5.063 4.470 0.038 0.000 0.283 513 S C 0.201 174.719 174.600 -0.138 0.000 1.189 513 S CA -0.876 57.244 58.200 -0.133 0.000 1.036 513 S CB 1.444 64.545 63.200 -0.164 0.000 1.014 513 S HN 0.172 nan 8.310 nan 0.000 0.522 514 M N 2.845 122.243 119.600 -0.336 0.000 2.245 514 M HA 0.382 4.885 4.480 0.038 0.000 0.344 514 M C 0.033 176.172 176.300 -0.268 0.000 1.170 514 M CA 0.723 55.789 55.300 -0.390 0.000 1.135 514 M CB 0.656 32.779 32.600 -0.794 0.000 1.574 514 M HN 0.805 nan 8.290 nan 0.000 0.452 515 S N 4.412 119.964 115.700 -0.246 0.000 2.607 515 S HA 0.830 5.322 4.470 0.038 0.000 0.303 515 S C -1.223 173.256 174.600 -0.202 0.000 1.086 515 S CA -0.924 57.062 58.200 -0.357 0.000 0.995 515 S CB 0.905 63.849 63.200 -0.428 0.000 1.084 515 S HN 0.766 nan 8.310 nan 0.000 0.507 516 I N 1.887 122.342 120.570 -0.192 0.000 2.619 516 I HA 0.494 4.686 4.170 0.038 0.000 0.292 516 I C -1.195 174.881 176.117 -0.068 0.000 1.100 516 I CA -0.224 61.028 61.300 -0.080 0.000 1.043 516 I CB 2.170 40.138 38.000 -0.053 0.000 1.239 516 I HN 0.572 nan 8.210 nan 0.000 0.420 517 S N 7.869 123.555 115.700 -0.024 0.000 2.478 517 S HA 0.716 5.209 4.470 0.038 0.000 0.312 517 S C -0.608 173.984 174.600 -0.014 0.000 1.094 517 S CA -0.566 57.621 58.200 -0.021 0.000 1.081 517 S CB 1.356 64.541 63.200 -0.024 0.000 1.007 517 S HN 0.552 nan 8.310 nan 0.000 0.475 518 I N 0.389 120.955 120.570 -0.007 0.000 2.994 518 I HA 0.804 4.997 4.170 0.038 0.000 0.306 518 I C -2.023 174.079 176.117 -0.024 0.000 1.195 518 I CA -1.376 59.907 61.300 -0.028 0.000 1.001 518 I CB 1.952 39.957 38.000 0.008 0.000 1.244 518 I HN 0.514 nan 8.210 nan 0.000 0.437 519 L N 5.095 126.247 121.223 -0.119 0.000 2.410 519 L HA 0.603 4.965 4.340 0.038 0.000 0.270 519 L C -1.720 175.133 176.870 -0.029 0.000 0.983 519 L CA -0.442 54.337 54.840 -0.101 0.000 0.822 519 L CB 1.824 43.739 42.059 -0.239 0.000 1.285 519 L HN 0.682 nan 8.230 nan 0.000 0.409 520 L N 4.980 126.287 121.223 0.141 0.000 2.502 520 L HA 0.489 4.852 4.340 0.038 0.000 0.247 520 L C -0.056 176.953 176.870 0.231 0.000 1.180 520 L CA -0.286 54.692 54.840 0.229 0.000 0.956 520 L CB 0.791 43.005 42.059 0.258 0.000 1.282 520 L HN 0.811 nan 8.230 nan 0.000 0.470 521 D N 0.954 121.537 120.400 0.306 0.000 2.198 521 D HA 0.744 5.407 4.640 0.038 0.000 0.245 521 D C 0.019 176.429 176.300 0.184 0.000 1.079 521 D CA 0.784 54.925 54.000 0.235 0.000 0.854 521 D CB 1.569 42.522 40.800 0.254 0.000 1.148 521 D HN 0.643 nan 8.370 nan 0.000 0.456 522 N N -0.499 118.287 118.700 0.143 0.000 3.405 522 N HA 0.564 5.327 4.740 0.038 0.000 0.292 522 N C -1.502 174.120 175.510 0.187 0.000 1.456 522 N CA -0.486 52.633 53.050 0.115 0.000 0.861 522 N CB 0.854 39.384 38.487 0.072 0.000 1.643 522 N HN 0.739 nan 8.380 nan 0.000 0.474 523 Y N 0.457 120.704 120.300 -0.089 0.000 2.721 523 Y HA 0.436 5.008 4.550 0.038 0.000 0.284 523 Y C 0.748 176.530 175.900 -0.197 0.000 0.976 523 Y CA -0.847 57.141 58.100 -0.187 0.000 1.142 523 Y CB 0.139 38.549 38.460 -0.083 0.000 1.168 523 Y HN 0.942 nan 8.280 nan 0.000 0.615 524 C N -0.626 118.584 119.300 -0.149 0.000 2.524 524 C HA 0.179 4.662 4.460 0.038 0.000 0.284 524 C C 0.142 175.130 174.990 -0.004 0.000 1.346 524 C CA 0.449 59.444 59.018 -0.038 0.000 1.739 524 C CB -0.682 27.074 27.740 0.027 0.000 2.119 524 C HN 0.703 nan 8.230 nan 0.000 0.501 525 H N -0.068 118.992 119.070 -0.017 0.000 4.498 525 H HA -0.091 4.487 4.556 0.038 0.000 0.261 525 H C -2.339 173.001 175.328 0.019 0.000 0.570 525 H CA 0.826 56.858 56.048 -0.027 0.000 0.709 525 H CB -1.315 28.417 29.762 -0.050 0.000 1.040 525 H HN 0.261 nan 8.280 nan 0.000 0.305 526 P HA 0.437 nan 4.420 nan 0.000 0.296 526 P C 0.019 177.401 177.300 0.136 0.000 1.295 526 P CA -0.127 63.059 63.100 0.144 0.000 0.754 526 P CB 1.293 33.083 31.700 0.151 0.000 1.311 527 I N -3.088 117.585 120.570 0.172 0.000 2.951 527 I HA 0.528 4.721 4.170 0.038 0.000 0.304 527 I C -1.584 174.688 176.117 0.259 0.000 1.550 527 I CA -0.807 60.587 61.300 0.156 0.000 0.947 527 I CB 1.190 39.270 38.000 0.133 0.000 1.351 527 I HN 0.679 nan 8.210 nan 0.000 0.548 545 A N -1.506 121.279 122.820 -0.058 0.000 5.950 545 A HA 0.459 4.801 4.320 0.038 0.000 0.259 545 A C 0.496 178.070 177.584 -0.017 0.000 2.176 545 A CA 1.908 53.928 52.037 -0.027 0.000 0.709 545 A CB -1.977 17.016 19.000 -0.012 0.000 1.054 545 A HN 2.946 nan 8.150 nan 0.000 0.357 546 E N -2.309 117.890 120.200 -0.001 0.000 2.307 546 E HA 0.628 5.000 4.350 0.038 0.000 0.280 546 E C -0.426 176.163 176.600 -0.018 0.000 0.900 546 E CA 0.318 56.711 56.400 -0.012 0.000 0.790 546 E CB 0.856 30.544 29.700 -0.019 0.000 1.261 546 E HN 2.045 nan 8.360 nan 0.000 0.405 547 M N 3.260 122.817 119.600 -0.072 0.000 2.250 547 M HA 0.263 4.766 4.480 0.038 0.000 0.337 547 M C -1.633 174.573 176.300 -0.157 0.000 1.161 547 M CA -0.603 54.570 55.300 -0.211 0.000 1.088 547 M CB 0.562 32.823 32.600 -0.565 0.000 1.639 547 M HN 0.537 nan 8.290 nan 0.000 0.447 548 P HA -0.063 nan 4.420 nan 0.000 0.226 548 P C -0.400 176.848 177.300 -0.087 0.000 1.275 548 P CA 0.956 64.013 63.100 -0.073 0.000 0.772 548 P CB 0.298 31.970 31.700 -0.046 0.000 0.766 549 N N -4.483 114.174 118.700 -0.072 0.000 1.900 549 N HA 0.027 4.790 4.740 0.038 0.000 0.227 549 N C 0.913 176.390 175.510 -0.055 0.000 1.411 549 N CA -0.073 52.940 53.050 -0.062 0.000 0.780 549 N CB 0.091 38.555 38.487 -0.039 0.000 1.082 549 N HN 0.080 nan 8.380 nan 0.000 0.505 550 Q N 0.122 119.892 119.800 -0.051 0.000 2.402 550 Q HA 0.364 4.727 4.340 0.038 0.000 0.231 550 Q C 1.287 177.259 176.000 -0.045 0.000 0.888 550 Q CA 0.692 56.474 55.803 -0.036 0.000 0.938 550 Q CB 0.409 29.136 28.738 -0.018 0.000 1.086 550 Q HN 0.285 nan 8.270 nan 0.000 0.543 551 L N -0.465 120.717 121.223 -0.069 0.000 2.131 551 L HA 0.014 4.377 4.340 0.038 0.000 0.206 551 L C 2.765 179.548 176.870 -0.144 0.000 1.087 551 L CA 1.110 55.903 54.840 -0.078 0.000 0.767 551 L CB -0.556 41.461 42.059 -0.071 0.000 0.917 551 L HN 0.203 nan 8.230 nan 0.000 0.441 552 R N 1.060 121.438 120.500 -0.205 0.000 2.117 552 R HA -0.207 4.155 4.340 0.038 0.000 0.243 552 R C 2.074 178.303 176.300 -0.118 0.000 1.143 552 R CA 1.962 57.941 56.100 -0.200 0.000 0.968 552 R CB -1.170 29.027 30.300 -0.171 0.000 0.863 552 R HN 0.417 nan 8.270 nan 0.000 0.444 553 K N -0.306 120.044 120.400 -0.082 0.000 2.057 553 K HA -0.157 4.186 4.320 0.038 0.000 0.206 553 K C 2.490 179.062 176.600 -0.047 0.000 1.050 553 K CA 1.435 57.690 56.287 -0.054 0.000 0.935 553 K CB -0.052 32.425 32.500 -0.037 0.000 0.715 553 K HN 0.607 nan 8.250 nan 0.000 0.439 554 Q N 1.196 120.970 119.800 -0.042 0.000 2.124 554 Q HA -0.153 4.210 4.340 0.038 0.000 0.202 554 Q C 2.132 178.116 176.000 -0.026 0.000 0.977 554 Q CA 1.050 56.840 55.803 -0.022 0.000 0.850 554 Q CB 0.019 28.756 28.738 -0.002 0.000 0.901 554 Q HN 0.324 nan 8.270 nan 0.000 0.429 555 L N 0.747 121.939 121.223 -0.051 0.000 1.961 555 L HA -0.240 4.123 4.340 0.038 0.000 0.210 555 L C 2.360 179.175 176.870 -0.092 0.000 1.072 555 L CA 2.125 56.927 54.840 -0.063 0.000 0.749 555 L CB -0.431 41.566 42.059 -0.104 0.000 0.889 555 L HN 0.320 nan 8.230 nan 0.000 0.432 556 E N 0.730 120.857 120.200 -0.121 0.000 2.187 556 E HA -0.273 4.099 4.350 0.038 0.000 0.199 556 E C 1.774 178.337 176.600 -0.063 0.000 1.004 556 E CA 1.707 58.035 56.400 -0.119 0.000 0.813 556 E CB -0.786 28.866 29.700 -0.081 0.000 0.736 556 E HN 0.528 nan 8.360 nan 0.000 0.468 557 A N 1.094 123.888 122.820 -0.042 0.000 1.858 557 A HA -0.086 4.257 4.320 0.038 0.000 0.216 557 A C 2.408 179.983 177.584 -0.016 0.000 1.190 557 A CA 1.589 53.612 52.037 -0.022 0.000 0.617 557 A CB -0.808 18.183 19.000 -0.015 0.000 0.827 557 A HN 0.301 nan 8.150 nan 0.000 0.443 558 I N 0.300 120.861 120.570 -0.015 0.000 2.076 558 I HA -0.200 3.993 4.170 0.038 0.000 0.237 558 I C 0.431 176.548 176.117 0.000 0.000 1.059 558 I CA 0.834 62.134 61.300 -0.001 0.000 1.317 558 I CB -0.246 37.758 38.000 0.007 0.000 1.037 558 I HN 0.165 nan 8.210 nan 0.000 0.398 559 I N 1.888 122.447 120.570 -0.019 0.000 2.734 559 I HA -0.023 4.170 4.170 0.038 0.000 0.301 559 I C 0.897 177.011 176.117 -0.005 0.000 1.127 559 I CA 0.715 62.009 61.300 -0.009 0.000 2.292 559 I CB -1.463 36.502 38.000 -0.057 0.000 1.590 559 I HN 0.300 nan 8.210 nan 0.000 1.053 560 A N 2.249 125.074 122.820 0.009 0.000 2.631 560 A HA 0.104 4.447 4.320 0.038 0.000 0.179 560 A C 0.795 178.384 177.584 0.009 0.000 1.492 560 A CA 0.060 52.102 52.037 0.008 0.000 1.077 560 A CB -0.170 18.828 19.000 -0.003 0.000 1.249 560 A HN 0.425 nan 8.150 nan 0.000 0.466 561 T N 0.089 114.652 114.554 0.015 0.000 2.881 561 T HA 0.514 4.887 4.350 0.038 0.000 0.278 561 T C 0.015 174.728 174.700 0.021 0.000 0.982 561 T CA 0.070 62.178 62.100 0.014 0.000 0.989 561 T CB 0.834 69.712 68.868 0.015 0.000 1.058 561 T HN 0.391 nan 8.240 nan 0.000 0.529 562 D N 0.081 120.490 120.400 0.015 0.000 2.354 562 D HA 0.181 4.844 4.640 0.038 0.000 0.238 562 D C -1.971 174.353 176.300 0.040 0.000 1.250 562 D CA -1.765 52.247 54.000 0.021 0.000 0.911 562 D CB -0.356 40.448 40.800 0.007 0.000 1.163 562 D HN 0.192 nan 8.370 nan 0.000 0.456 563 P HA 0.008 nan 4.420 nan 0.000 0.230 563 P C 0.989 178.328 177.300 0.064 0.000 1.158 563 P CA 0.763 63.906 63.100 0.072 0.000 0.769 563 P CB 0.121 31.869 31.700 0.080 0.000 0.807 564 L N -1.394 119.859 121.223 0.049 0.000 2.071 564 L HA -0.009 4.354 4.340 0.038 0.000 0.201 564 L C 1.069 177.961 176.870 0.037 0.000 1.076 564 L CA 0.278 55.144 54.840 0.044 0.000 0.755 564 L CB -1.346 40.736 42.059 0.037 0.000 0.915 564 L HN -0.106 nan 8.230 nan 0.000 0.445 565 N N 1.630 120.348 118.700 0.030 0.000 1.939 565 N HA -0.085 4.677 4.740 0.038 0.000 0.301 565 N C -2.364 173.164 175.510 0.030 0.000 1.353 565 N CA -0.487 52.579 53.050 0.026 0.000 0.851 565 N CB 0.133 38.633 38.487 0.022 0.000 1.153 565 N HN -0.023 nan 8.380 nan 0.000 0.496 566 P HA 0.052 nan 4.420 nan 0.000 0.269 566 P C -0.645 176.669 177.300 0.024 0.000 1.215 566 P CA 0.071 63.185 63.100 0.024 0.000 0.780 566 P CB 0.588 32.300 31.700 0.020 0.000 0.898 567 L N 1.590 122.827 121.223 0.023 0.000 2.265 567 L HA 0.307 4.670 4.340 0.038 0.000 0.289 567 L C 0.965 177.844 176.870 0.015 0.000 1.033 567 L CA -0.435 54.419 54.840 0.023 0.000 0.814 567 L CB 1.229 43.306 42.059 0.030 0.000 1.203 567 L HN 0.328 nan 8.230 nan 0.000 0.423 568 T N 1.794 116.357 114.554 0.014 0.000 2.898 568 T HA 0.230 4.603 4.350 0.038 0.000 0.301 568 T C 1.359 176.062 174.700 0.005 0.000 1.049 568 T CA 0.242 62.347 62.100 0.009 0.000 1.095 568 T CB 1.369 70.243 68.868 0.010 0.000 0.976 568 T HN 0.732 nan 8.240 nan 0.000 0.539 569 A N 3.272 126.091 122.820 -0.003 0.000 1.997 569 A HA -0.138 4.205 4.320 0.038 0.000 0.221 569 A C 2.226 179.807 177.584 -0.005 0.000 1.172 569 A CA 2.006 54.036 52.037 -0.011 0.000 0.645 569 A CB -0.709 18.281 19.000 -0.017 0.000 0.813 569 A HN 0.917 nan 8.150 nan 0.000 0.454 570 E N 0.295 120.497 120.200 0.003 0.000 2.028 570 E HA -0.211 4.162 4.350 0.038 0.000 0.191 570 E C 1.548 178.163 176.600 0.025 0.000 0.988 570 E CA 1.676 58.082 56.400 0.010 0.000 0.799 570 E CB -0.395 29.312 29.700 0.012 0.000 0.755 570 E HN 0.570 nan 8.360 nan 0.000 0.447 571 D N 0.666 121.081 120.400 0.026 0.000 2.126 571 D HA -0.181 4.481 4.640 0.038 0.000 0.190 571 D C 2.055 178.383 176.300 0.046 0.000 1.001 571 D CA 1.590 55.612 54.000 0.037 0.000 0.841 571 D CB -0.117 40.701 40.800 0.030 0.000 0.949 571 D HN 0.166 nan 8.370 nan 0.000 0.446 572 K N 0.344 120.762 120.400 0.031 0.000 2.009 572 K HA -0.148 4.195 4.320 0.038 0.000 0.210 572 K C 2.129 178.763 176.600 0.056 0.000 1.049 572 K CA 1.263 57.569 56.287 0.031 0.000 0.929 572 K CB -0.180 32.316 32.500 -0.005 0.000 0.714 572 K HN 0.258 nan 8.250 nan 0.000 0.440 573 E N 0.751 120.971 120.200 0.034 0.000 2.171 573 E HA -0.231 4.142 4.350 0.038 0.000 0.197 573 E C 2.006 178.651 176.600 0.076 0.000 0.997 573 E CA 1.011 57.437 56.400 0.043 0.000 0.810 573 E CB -0.119 29.579 29.700 -0.004 0.000 0.738 573 E HN 0.149 nan 8.360 nan 0.000 0.467 574 L N 0.626 121.903 121.223 0.089 0.000 2.044 574 L HA -0.094 4.268 4.340 0.038 0.000 0.205 574 L C 2.126 179.114 176.870 0.196 0.000 1.075 574 L CA 1.170 56.103 54.840 0.155 0.000 0.747 574 L CB -0.346 41.817 42.059 0.172 0.000 0.903 574 L HN 0.094 nan 8.230 nan 0.000 0.435 575 L N -0.953 120.357 121.223 0.143 0.000 2.131 575 L HA -0.228 4.135 4.340 0.038 0.000 0.210 575 L C 2.151 179.068 176.870 0.079 0.000 1.092 575 L CA 1.829 56.733 54.840 0.107 0.000 0.759 575 L CB -0.993 41.108 42.059 0.069 0.000 0.903 575 L HN 0.638 nan 8.230 nan 0.000 0.435 576 W N -1.272 119.968 121.300 -0.099 0.000 2.576 576 W HA -0.150 4.527 4.660 0.029 0.000 0.275 576 W C 2.296 178.721 176.519 -0.157 0.000 1.241 576 W CA 0.800 58.046 57.345 -0.166 0.000 1.328 576 W CB -0.220 29.136 29.460 -0.173 0.000 1.092 576 W HN 0.368 nan 8.180 nan 0.000 0.586 577 H N -0.045 118.835 119.070 -0.317 0.000 2.421 577 H HA -0.113 4.462 4.556 0.031 0.000 0.298 577 H C 0.552 175.415 175.328 -0.775 0.000 1.087 577 H CA 1.643 57.322 56.048 -0.614 0.000 1.330 577 H CB -0.819 28.522 29.762 -0.702 0.000 1.388 577 H HN 0.045 nan 8.280 nan 0.000 0.526 578 F N -0.112 119.708 119.950 -0.216 0.000 2.925 578 F HA 0.267 4.794 4.527 0.001 0.000 0.302 578 F C 1.600 177.244 175.800 -0.259 0.000 1.189 578 F CA -0.481 57.382 58.000 -0.229 0.000 1.346 578 F CB 0.221 39.150 39.000 -0.118 0.000 0.954 578 F HN -0.083 nan 8.300 nan 0.000 0.506 579 R N -0.158 120.113 120.500 -0.382 0.000 2.162 579 R HA -0.273 4.090 4.340 0.038 0.000 0.245 579 R C 1.308 177.341 176.300 -0.444 0.000 1.129 579 R CA 2.478 58.225 56.100 -0.587 0.000 0.940 579 R CB -0.788 28.851 30.300 -1.102 0.000 0.875 579 R HN 0.385 nan 8.270 nan 0.000 0.437 580 Y N -0.297 119.885 120.300 -0.197 0.000 2.574 580 Y HA -0.140 4.431 4.550 0.035 0.000 0.294 580 Y C 2.271 178.156 175.900 -0.024 0.000 1.142 580 Y CA 0.961 58.999 58.100 -0.103 0.000 1.314 580 Y CB -0.092 38.309 38.460 -0.100 0.000 0.991 580 Y HN 0.181 nan 8.280 nan 0.000 0.555 581 E N -0.275 119.995 120.200 0.117 0.000 2.099 581 E HA -0.054 4.319 4.350 0.038 0.000 0.191 581 E C 2.174 178.867 176.600 0.156 0.000 0.962 581 E CA 1.224 57.701 56.400 0.128 0.000 0.826 581 E CB -0.302 29.449 29.700 0.085 0.000 0.788 581 E HN 0.087 nan 8.360 nan 0.000 0.461 582 S N 0.576 116.313 115.700 0.062 0.000 2.419 582 S HA -0.133 4.360 4.470 0.038 0.000 0.235 582 S C 1.562 176.205 174.600 0.071 0.000 1.019 582 S CA 0.945 59.166 58.200 0.035 0.000 0.982 582 S CB -0.320 62.843 63.200 -0.062 0.000 0.789 582 S HN 0.282 nan 8.310 nan 0.000 0.490 583 L N 1.439 122.650 121.223 -0.020 0.000 2.622 583 L HA 0.085 4.448 4.340 0.038 0.000 0.233 583 L C 1.515 178.527 176.870 0.237 0.000 1.156 583 L CA 1.270 56.092 54.840 -0.030 0.000 0.866 583 L CB -0.353 41.629 42.059 -0.129 0.000 0.980 583 L HN 0.112 nan 8.230 nan 0.000 0.448 584 K N -1.484 119.071 120.400 0.258 0.000 2.211 584 K HA 0.113 4.456 4.320 0.038 0.000 0.201 584 K C 0.049 176.731 176.600 0.137 0.000 1.052 584 K CA 0.325 56.715 56.287 0.170 0.000 0.973 584 K CB 0.020 32.545 32.500 0.042 0.000 0.766 584 K HN 0.441 nan 8.250 nan 0.000 0.466 585 H N 1.377 120.566 119.070 0.198 0.000 2.640 585 H HA 0.106 4.688 4.556 0.044 0.000 0.297 585 H C -2.078 173.445 175.328 0.324 0.000 1.073 585 H CA -2.063 54.097 56.048 0.188 0.000 1.305 585 H CB 1.325 31.162 29.762 0.125 0.000 1.404 585 H HN -0.079 nan 8.280 nan 0.000 0.459 586 P HA -0.164 nan 4.420 nan 0.000 0.215 586 P C 1.160 178.659 177.300 0.332 0.000 1.153 586 P CA 1.416 64.659 63.100 0.238 0.000 0.853 586 P CB 0.265 31.949 31.700 -0.027 0.000 0.788 587 K N -0.855 119.684 120.400 0.232 0.000 2.589 587 K HA -0.022 4.321 4.320 0.038 0.000 0.195 587 K C 1.587 178.335 176.600 0.246 0.000 1.040 587 K CA 0.864 57.269 56.287 0.196 0.000 0.950 587 K CB -0.323 32.251 32.500 0.122 0.000 0.781 587 K HN 0.130 nan 8.250 nan 0.000 0.486 588 A N -0.401 122.630 122.820 0.351 0.000 2.252 588 A HA 0.044 4.387 4.320 0.038 0.000 0.213 588 A C 1.202 178.981 177.584 0.326 0.000 1.188 588 A CA -0.014 52.185 52.037 0.270 0.000 0.863 588 A CB -0.097 19.019 19.000 0.192 0.000 0.893 588 A HN 0.135 nan 8.150 nan 0.000 0.495 589 Y N 0.903 121.344 120.300 0.236 0.000 2.053 589 Y HA -0.144 4.430 4.550 0.039 0.000 0.277 589 Y C -0.183 175.947 175.900 0.384 0.000 1.159 589 Y CA 2.229 60.535 58.100 0.344 0.000 1.125 589 Y CB -1.937 36.676 38.460 0.255 0.000 0.969 589 Y HN 0.240 nan 8.280 nan 0.000 0.492 590 P HA -0.237 nan 4.420 nan 0.000 0.214 590 P C 1.399 178.948 177.300 0.416 0.000 1.172 590 P CA 2.589 65.891 63.100 0.337 0.000 0.925 590 P CB -0.073 31.778 31.700 0.251 0.000 0.793 591 K N -1.139 119.425 120.400 0.274 0.000 2.103 591 K HA -0.159 4.184 4.320 0.038 0.000 0.207 591 K C 2.075 178.761 176.600 0.143 0.000 1.048 591 K CA 1.166 57.568 56.287 0.192 0.000 0.930 591 K CB -0.986 31.589 32.500 0.125 0.000 0.716 591 K HN 0.098 nan 8.250 nan 0.000 0.444 592 L N 0.323 121.593 121.223 0.078 0.000 2.056 592 L HA -0.091 4.271 4.340 0.038 0.000 0.207 592 L C 1.727 178.487 176.870 -0.183 0.000 1.078 592 L CA 1.656 56.417 54.840 -0.133 0.000 0.749 592 L CB -0.323 41.498 42.059 -0.395 0.000 0.901 592 L HN -0.002 nan 8.230 nan 0.000 0.433 593 F N -1.124 118.944 119.950 0.197 0.000 2.811 593 F HA 0.090 4.643 4.527 0.044 0.000 0.301 593 F C 2.052 178.126 175.800 0.456 0.000 1.151 593 F CA 0.483 58.681 58.000 0.330 0.000 1.412 593 F CB -0.325 38.902 39.000 0.379 0.000 1.113 593 F HN 0.014 nan 8.300 nan 0.000 0.579 594 S N -1.232 114.732 115.700 0.439 0.000 2.556 594 S HA -0.016 4.476 4.470 0.038 0.000 0.216 594 S C 1.512 176.190 174.600 0.130 0.000 0.970 594 S CA 0.543 58.902 58.200 0.266 0.000 0.912 594 S CB -0.116 63.195 63.200 0.186 0.000 0.790 594 S HN 0.307 nan 8.310 nan 0.000 0.504 595 S N 0.497 116.242 115.700 0.075 0.000 2.664 595 S HA 0.373 4.865 4.470 0.038 0.000 0.245 595 S C 0.030 174.503 174.600 -0.211 0.000 1.019 595 S CA -0.438 57.742 58.200 -0.033 0.000 0.996 595 S CB 0.023 63.228 63.200 0.008 0.000 0.878 595 S HN 0.046 nan 8.310 nan 0.000 0.493 596 V N 1.842 121.589 119.914 -0.278 0.000 2.612 596 V HA 0.423 4.566 4.120 0.038 0.000 0.301 596 V C -0.152 175.492 176.094 -0.751 0.000 1.046 596 V CA -0.747 61.105 62.300 -0.748 0.000 0.946 596 V CB 1.821 33.046 31.823 -0.997 0.000 1.003 596 V HN 0.349 nan 8.190 nan 0.000 0.459 597 K N 3.830 123.713 120.400 -0.863 0.000 2.296 597 K HA 0.178 4.521 4.320 0.038 0.000 0.257 597 K C -0.141 176.087 176.600 -0.619 0.000 1.088 597 K CA -0.080 55.864 56.287 -0.573 0.000 0.980 597 K CB 0.535 32.752 32.500 -0.472 0.000 1.430 597 K HN 0.683 nan 8.250 nan 0.000 0.441 598 W N 0.993 122.077 121.300 -0.359 0.000 2.699 598 W HA -0.003 4.681 4.660 0.040 0.000 0.249 598 W C 1.757 178.063 176.519 -0.354 0.000 1.280 598 W CA -0.018 57.070 57.345 -0.428 0.000 1.345 598 W CB 0.144 29.134 29.460 -0.783 0.000 1.128 598 W HN 0.656 nan 8.180 nan 0.000 0.642 599 G N 0.018 108.732 108.800 -0.143 0.000 3.061 599 G HA2 0.007 3.990 3.960 0.038 0.000 0.208 599 G HA3 0.007 3.990 3.960 0.038 0.000 0.208 599 G C 0.294 175.117 174.900 -0.128 0.000 1.175 599 G CA -0.138 44.891 45.100 -0.118 0.000 0.812 599 G HN 0.209 nan 8.290 nan 0.000 0.523 600 Q N -0.899 118.794 119.800 -0.178 0.000 2.337 600 Q HA 0.429 4.792 4.340 0.038 0.000 0.260 600 Q C 1.072 176.973 176.000 -0.165 0.000 0.982 600 Q CA -0.264 55.441 55.803 -0.163 0.000 0.734 600 Q CB 1.494 30.113 28.738 -0.198 0.000 1.272 600 Q HN 0.251 nan 8.270 nan 0.000 0.461 601 Q N 1.267 121.004 119.800 -0.105 0.000 2.173 601 Q HA -0.312 4.051 4.340 0.038 0.000 0.208 601 Q C 1.876 177.811 176.000 -0.109 0.000 0.989 601 Q CA 2.672 58.421 55.803 -0.090 0.000 0.872 601 Q CB -1.046 27.669 28.738 -0.038 0.000 0.909 601 Q HN 0.824 nan 8.270 nan 0.000 0.420 602 E N 0.415 120.560 120.200 -0.092 0.000 2.047 602 E HA -0.051 4.322 4.350 0.038 0.000 0.191 602 E C 2.047 178.592 176.600 -0.091 0.000 0.987 602 E CA 1.232 57.592 56.400 -0.068 0.000 0.799 602 E CB -0.336 29.339 29.700 -0.042 0.000 0.752 602 E HN 0.657 nan 8.360 nan 0.000 0.449 603 I N 1.089 121.554 120.570 -0.174 0.000 2.179 603 I HA -0.187 4.006 4.170 0.038 0.000 0.242 603 I C 2.699 178.619 176.117 -0.328 0.000 1.088 603 I CA 1.023 62.163 61.300 -0.267 0.000 1.357 603 I CB -0.980 36.690 38.000 -0.551 0.000 1.051 603 I HN 0.219 nan 8.210 nan 0.000 0.409 604 V N 1.397 121.066 119.914 -0.408 0.000 2.343 604 V HA -0.257 3.886 4.120 0.038 0.000 0.247 604 V C 2.849 178.687 176.094 -0.427 0.000 1.051 604 V CA 1.627 63.621 62.300 -0.510 0.000 1.036 604 V CB -1.257 30.314 31.823 -0.419 0.000 0.654 604 V HN 0.445 nan 8.190 nan 0.000 0.451 605 A N 0.550 123.219 122.820 -0.252 0.000 1.873 605 A HA -0.312 4.031 4.320 0.038 0.000 0.218 605 A C 2.503 180.082 177.584 -0.008 0.000 1.193 605 A CA 3.295 55.262 52.037 -0.117 0.000 0.629 605 A CB -0.913 18.065 19.000 -0.037 0.000 0.826 605 A HN 0.542 nan 8.150 nan 0.000 0.447 606 K N -1.090 119.329 120.400 0.032 0.000 2.009 606 K HA -0.161 4.182 4.320 0.038 0.000 0.210 606 K C 2.106 178.786 176.600 0.134 0.000 1.049 606 K CA 2.486 58.841 56.287 0.114 0.000 0.929 606 K CB -2.071 30.556 32.500 0.213 0.000 0.714 606 K HN 0.596 nan 8.250 nan 0.000 0.440 607 T N 0.274 114.916 114.554 0.147 0.000 2.592 607 T HA -0.244 4.129 4.350 0.038 0.000 0.267 607 T C 1.879 176.776 174.700 0.328 0.000 1.060 607 T CA 1.807 64.023 62.100 0.194 0.000 1.167 607 T CB -0.666 68.210 68.868 0.013 0.000 0.863 607 T HN 0.587 nan 8.240 nan 0.000 0.431 608 Y N 1.057 121.437 120.300 0.134 0.000 2.128 608 Y HA -0.202 4.371 4.550 0.038 0.000 0.284 608 Y C 3.020 178.980 175.900 0.101 0.000 1.154 608 Y CA 0.639 58.816 58.100 0.129 0.000 1.149 608 Y CB -0.224 38.310 38.460 0.124 0.000 0.976 608 Y HN 0.167 nan 8.280 nan 0.000 0.505 609 Q N -0.023 119.933 119.800 0.260 0.000 2.437 609 Q HA -0.116 4.247 4.340 0.038 0.000 0.210 609 Q C 1.872 177.961 176.000 0.147 0.000 0.972 609 Q CA 0.648 56.555 55.803 0.174 0.000 0.903 609 Q CB -0.209 28.615 28.738 0.142 0.000 0.967 609 Q HN 0.381 nan 8.270 nan 0.000 0.486 610 L N -1.207 120.093 121.223 0.129 0.000 2.307 610 L HA 0.073 4.436 4.340 0.038 0.000 0.211 610 L C 1.377 178.301 176.870 0.090 0.000 1.099 610 L CA 1.199 56.059 54.840 0.032 0.000 0.816 610 L CB -0.054 41.941 42.059 -0.108 0.000 0.952 610 L HN 0.204 nan 8.230 nan 0.000 0.455 611 L N -0.599 120.714 121.223 0.149 0.000 2.156 611 L HA -0.029 4.334 4.340 0.038 0.000 0.208 611 L C 2.563 179.488 176.870 0.091 0.000 1.095 611 L CA 0.902 55.809 54.840 0.111 0.000 0.770 611 L CB -0.825 41.278 42.059 0.073 0.000 0.914 611 L HN 0.296 nan 8.230 nan 0.000 0.439 612 A N 0.573 123.452 122.820 0.099 0.000 2.070 612 A HA -0.148 4.194 4.320 0.038 0.000 0.220 612 A C 2.375 180.020 177.584 0.102 0.000 1.159 612 A CA 1.665 53.755 52.037 0.089 0.000 0.656 612 A CB -0.746 18.306 19.000 0.087 0.000 0.800 612 A HN 0.420 nan 8.150 nan 0.000 0.453 613 R N 0.859 121.432 120.500 0.122 0.000 2.555 613 R HA 0.225 4.588 4.340 0.038 0.000 0.272 613 R C 0.606 177.000 176.300 0.157 0.000 1.089 613 R CA 0.272 56.455 56.100 0.137 0.000 1.126 613 R CB -1.120 29.285 30.300 0.176 0.000 1.250 613 R HN 0.817 nan 8.270 nan 0.000 0.551 614 R N -0.891 119.710 120.500 0.167 0.000 2.204 614 R HA 0.560 4.923 4.340 0.038 0.000 0.341 614 R C 0.401 176.841 176.300 0.233 0.000 1.035 614 R CA 0.382 56.627 56.100 0.242 0.000 0.887 614 R CB 1.046 31.507 30.300 0.268 0.000 1.114 614 R HN 0.221 nan 8.270 nan 0.000 0.473 615 E N 3.300 123.625 120.200 0.209 0.000 2.279 615 E HA -0.039 4.334 4.350 0.038 0.000 0.199 615 E C 1.770 178.459 176.600 0.148 0.000 0.893 615 E CA 0.672 57.162 56.400 0.150 0.000 0.978 615 E CB -0.588 29.174 29.700 0.102 0.000 0.964 615 E HN 0.480 nan 8.360 nan 0.000 0.486 616 V N -1.262 118.749 119.914 0.161 0.000 2.370 616 V HA -0.287 3.856 4.120 0.038 0.000 0.252 616 V C 2.328 178.496 176.094 0.123 0.000 1.068 616 V CA 2.069 64.444 62.300 0.125 0.000 1.061 616 V CB -1.164 30.750 31.823 0.151 0.000 0.656 616 V HN 0.735 nan 8.190 nan 0.000 0.455 617 W N 3.473 124.781 121.300 0.013 0.000 2.376 617 W HA -0.178 4.504 4.660 0.037 0.000 0.324 617 W C 2.008 178.468 176.519 -0.099 0.000 1.191 617 W CA 2.133 59.402 57.345 -0.126 0.000 1.282 617 W CB -0.650 28.737 29.460 -0.121 0.000 1.185 617 W HN 0.626 nan 8.180 nan 0.000 0.458 618 D N 0.341 120.821 120.400 0.134 0.000 2.407 618 D HA -0.187 4.476 4.640 0.038 0.000 0.234 618 D C 1.547 177.800 176.300 -0.078 0.000 1.029 618 D CA 1.031 55.020 54.000 -0.020 0.000 0.937 618 D CB -0.671 40.227 40.800 0.163 0.000 0.882 618 D HN 0.371 nan 8.370 nan 0.000 0.531 619 Q N -0.488 119.262 119.800 -0.084 0.000 2.245 619 Q HA 0.107 4.470 4.340 0.038 0.000 0.250 619 Q C 0.238 176.166 176.000 -0.121 0.000 0.830 619 Q CA -0.148 55.612 55.803 -0.072 0.000 0.950 619 Q CB 0.780 29.507 28.738 -0.018 0.000 1.124 619 Q HN 0.294 nan 8.270 nan 0.000 0.502 620 S N -0.183 115.404 115.700 -0.189 0.000 2.624 620 S HA 0.589 5.082 4.470 0.038 0.000 0.263 620 S C 0.219 174.668 174.600 -0.251 0.000 1.287 620 S CA -0.545 57.529 58.200 -0.209 0.000 0.990 620 S CB 1.308 64.361 63.200 -0.245 0.000 0.950 620 S HN 0.227 nan 8.310 nan 0.000 0.561 621 A N 1.043 123.740 122.820 -0.205 0.000 2.440 621 A HA 0.451 4.793 4.320 0.038 0.000 0.251 621 A C 0.044 177.479 177.584 -0.250 0.000 1.089 621 A CA -0.618 51.306 52.037 -0.189 0.000 0.779 621 A CB -0.307 18.613 19.000 -0.135 0.000 1.022 621 A HN 0.969 nan 8.150 nan 0.000 0.492 622 L N 2.433 123.514 121.223 -0.236 0.000 2.584 622 L HA 0.127 4.490 4.340 0.038 0.000 0.272 622 L C -0.229 176.515 176.870 -0.209 0.000 1.195 622 L CA 0.691 55.375 54.840 -0.261 0.000 0.920 622 L CB 0.032 41.972 42.059 -0.199 0.000 1.173 622 L HN 0.642 nan 8.230 nan 0.000 0.489 623 D N 4.114 124.370 120.400 -0.240 0.000 2.440 623 D HA 0.145 4.807 4.640 0.038 0.000 0.239 623 D C 0.885 177.085 176.300 -0.166 0.000 1.084 623 D CA -0.313 53.587 54.000 -0.166 0.000 0.843 623 D CB 1.751 42.461 40.800 -0.151 0.000 1.097 623 D HN 0.450 nan 8.370 nan 0.000 0.531 624 V N 3.788 123.604 119.914 -0.163 0.000 2.358 624 V HA -0.122 4.021 4.120 0.038 0.000 0.246 624 V C 2.456 178.441 176.094 -0.181 0.000 1.047 624 V CA 2.177 64.323 62.300 -0.256 0.000 1.035 624 V CB -0.364 31.184 31.823 -0.458 0.000 0.658 624 V HN 0.714 nan 8.190 nan 0.000 0.452 625 G N -0.320 108.429 108.800 -0.085 0.000 2.442 625 G HA2 -0.244 3.739 3.960 0.038 0.000 0.219 625 G HA3 -0.244 3.739 3.960 0.038 0.000 0.219 625 G C 1.549 176.438 174.900 -0.019 0.000 1.141 625 G CA 1.168 46.252 45.100 -0.026 0.000 0.763 625 G HN 0.448 nan 8.290 nan 0.000 0.554 626 L N 0.489 121.694 121.223 -0.030 0.000 2.162 626 L HA 0.186 4.548 4.340 0.038 0.000 0.205 626 L C 2.770 179.645 176.870 0.008 0.000 1.086 626 L CA 2.009 56.854 54.840 0.007 0.000 0.778 626 L CB -0.722 41.342 42.059 0.007 0.000 0.928 626 L HN 0.114 nan 8.230 nan 0.000 0.446 627 T N -0.321 114.203 114.554 -0.050 0.000 2.867 627 T HA -0.115 4.257 4.350 0.038 0.000 0.268 627 T C 1.925 176.587 174.700 -0.064 0.000 1.057 627 T CA 1.403 63.477 62.100 -0.042 0.000 1.136 627 T CB -0.111 68.679 68.868 -0.130 0.000 0.874 627 T HN 0.178 nan 8.240 nan 0.000 0.466 628 M N 1.222 120.776 119.600 -0.077 0.000 2.132 628 M HA -0.023 4.479 4.480 0.038 0.000 0.263 628 M C 2.340 178.633 176.300 -0.011 0.000 1.065 628 M CA 1.403 56.674 55.300 -0.049 0.000 1.122 628 M CB -1.061 31.512 32.600 -0.045 0.000 1.365 628 M HN 0.342 nan 8.290 nan 0.000 0.411 629 Q N 0.106 119.906 119.800 -0.000 0.000 2.181 629 Q HA -0.119 4.243 4.340 0.038 0.000 0.205 629 Q C 1.950 177.919 176.000 -0.052 0.000 0.980 629 Q CA 1.038 56.865 55.803 0.041 0.000 0.862 629 Q CB -0.252 28.528 28.738 0.070 0.000 0.905 629 Q HN 0.495 nan 8.270 nan 0.000 0.429 630 L N 0.005 121.096 121.223 -0.219 0.000 2.478 630 L HA -0.032 4.331 4.340 0.038 0.000 0.223 630 L C 1.504 178.219 176.870 -0.258 0.000 1.140 630 L CA 0.320 54.832 54.840 -0.548 0.000 0.842 630 L CB 0.109 41.911 42.059 -0.428 0.000 0.953 630 L HN 0.231 nan 8.230 nan 0.000 0.452 631 L N -0.416 120.769 121.223 -0.063 0.000 2.667 631 L HA 0.097 4.460 4.340 0.038 0.000 0.232 631 L C 0.522 177.452 176.870 0.099 0.000 1.138 631 L CA -0.437 54.420 54.840 0.029 0.000 0.921 631 L CB -0.251 41.826 42.059 0.030 0.000 1.180 631 L HN 0.279 nan 8.230 nan 0.000 0.487 632 D N -1.221 119.219 120.400 0.066 0.000 2.478 632 D HA -0.027 4.636 4.640 0.038 0.000 0.269 632 D C 1.543 177.540 176.300 -0.505 0.000 1.232 632 D CA -0.345 53.510 54.000 -0.242 0.000 1.059 632 D CB 0.501 41.188 40.800 -0.190 0.000 1.104 632 D HN 0.139 nan 8.370 nan 0.000 0.566 633 C N -0.973 117.629 119.300 -1.163 0.000 2.409 633 C HA -0.031 4.452 4.460 0.038 0.000 0.288 633 C C 1.416 176.124 174.990 -0.469 0.000 1.395 633 C CA 0.305 58.808 59.018 -0.858 0.000 1.792 633 C CB -1.954 25.296 27.740 -0.817 0.000 1.847 633 C HN 0.543 nan 8.230 nan 0.000 0.534 634 N N -0.424 117.995 118.700 -0.469 0.000 2.461 634 N HA 0.227 4.990 4.740 0.038 0.000 0.188 634 N C -0.625 174.208 175.510 -1.128 0.000 1.134 634 N CA 0.479 53.094 53.050 -0.725 0.000 0.878 634 N CB -0.038 37.951 38.487 -0.830 0.000 0.972 634 N HN 0.596 nan 8.380 nan 0.000 0.456 635 F N -0.906 118.920 119.950 -0.206 0.000 2.539 635 F HA 0.375 4.923 4.527 0.036 0.000 0.328 635 F C 0.331 175.952 175.800 -0.300 0.000 1.148 635 F CA -0.898 56.970 58.000 -0.220 0.000 0.940 635 F CB 1.930 40.847 39.000 -0.140 0.000 1.194 635 F HN -0.203 nan 8.300 nan 0.000 0.438 636 S N 0.323 115.801 115.700 -0.371 0.000 2.650 636 S HA 0.029 4.522 4.470 0.038 0.000 0.240 636 S C -0.405 173.964 174.600 -0.385 0.000 1.007 636 S CA -0.333 57.595 58.200 -0.454 0.000 0.984 636 S CB -0.069 62.657 63.200 -0.791 0.000 0.910 636 S HN 0.626 nan 8.310 nan 0.000 0.509 637 D N 1.852 122.065 120.400 -0.311 0.000 2.280 637 D HA 0.370 5.032 4.640 0.038 0.000 0.236 637 D C 1.216 177.487 176.300 -0.047 0.000 1.082 637 D CA 0.181 54.078 54.000 -0.172 0.000 0.834 637 D CB 1.451 42.061 40.800 -0.316 0.000 1.100 637 D HN 0.233 nan 8.370 nan 0.000 0.486 638 E N 4.000 124.198 120.200 -0.003 0.000 2.108 638 E HA -0.326 4.046 4.350 0.038 0.000 0.203 638 E C 1.478 178.044 176.600 -0.057 0.000 1.022 638 E CA 2.226 58.616 56.400 -0.016 0.000 0.823 638 E CB -0.953 28.743 29.700 -0.007 0.000 0.744 638 E HN 0.685 nan 8.360 nan 0.000 0.456 639 N N -0.091 118.554 118.700 -0.091 0.000 2.142 639 N HA -0.057 4.706 4.740 0.038 0.000 0.186 639 N C 1.943 177.357 175.510 -0.160 0.000 1.023 639 N CA 1.557 54.511 53.050 -0.159 0.000 0.852 639 N CB -0.287 38.006 38.487 -0.324 0.000 0.998 639 N HN 0.312 nan 8.380 nan 0.000 0.424 640 V N 1.242 121.083 119.914 -0.122 0.000 2.287 640 V HA -0.231 3.912 4.120 0.038 0.000 0.248 640 V C 2.140 178.060 176.094 -0.291 0.000 1.053 640 V CA 1.708 63.834 62.300 -0.290 0.000 1.027 640 V CB -0.442 31.292 31.823 -0.148 0.000 0.646 640 V HN 0.299 nan 8.190 nan 0.000 0.447 641 R N -0.018 120.383 120.500 -0.165 0.000 2.148 641 R HA -0.005 4.358 4.340 0.038 0.000 0.223 641 R C 2.365 178.602 176.300 -0.104 0.000 1.088 641 R CA 1.177 57.201 56.100 -0.126 0.000 0.985 641 R CB -0.479 29.789 30.300 -0.054 0.000 0.880 641 R HN 0.545 nan 8.270 nan 0.000 0.451 642 A N 2.031 124.793 122.820 -0.096 0.000 1.930 642 A HA -0.120 4.223 4.320 0.038 0.000 0.217 642 A C 2.214 179.769 177.584 -0.049 0.000 1.175 642 A CA 1.216 53.215 52.037 -0.063 0.000 0.627 642 A CB -0.551 18.416 19.000 -0.054 0.000 0.815 642 A HN 0.442 nan 8.150 nan 0.000 0.443 643 I N -2.485 118.033 120.570 -0.086 0.000 2.226 643 I HA -0.106 4.087 4.170 0.038 0.000 0.245 643 I C 2.394 178.624 176.117 0.188 0.000 1.100 643 I CA 1.524 62.841 61.300 0.029 0.000 1.374 643 I CB -0.642 37.202 38.000 -0.259 0.000 1.057 643 I HN 0.178 nan 8.210 nan 0.000 0.413 644 A N 1.610 124.470 122.820 0.067 0.000 1.908 644 A HA -0.109 4.234 4.320 0.038 0.000 0.218 644 A C 2.356 179.915 177.584 -0.041 0.000 1.181 644 A CA 2.321 54.416 52.037 0.096 0.000 0.627 644 A CB -1.186 17.793 19.000 -0.036 0.000 0.818 644 A HN 0.401 nan 8.150 nan 0.000 0.445 645 V N -0.382 119.473 119.914 -0.098 0.000 2.809 645 V HA -0.173 3.970 4.120 0.038 0.000 0.256 645 V C 3.107 179.078 176.094 -0.204 0.000 1.080 645 V CA 2.146 64.312 62.300 -0.223 0.000 1.102 645 V CB -1.409 30.319 31.823 -0.159 0.000 0.705 645 V HN 0.800 nan 8.190 nan 0.000 0.475 646 Q N -0.311 119.455 119.800 -0.058 0.000 2.187 646 Q HA -0.113 4.250 4.340 0.038 0.000 0.199 646 Q C 2.204 178.180 176.000 -0.041 0.000 0.957 646 Q CA 1.153 56.949 55.803 -0.012 0.000 0.857 646 Q CB -0.385 28.394 28.738 0.068 0.000 0.929 646 Q HN 0.458 nan 8.270 nan 0.000 0.453 647 K N -0.120 120.244 120.400 -0.060 0.000 2.296 647 K HA 0.206 4.549 4.320 0.038 0.000 0.200 647 K C 1.950 178.449 176.600 -0.169 0.000 1.048 647 K CA 0.437 56.633 56.287 -0.152 0.000 0.966 647 K CB 0.071 32.420 32.500 -0.250 0.000 0.754 647 K HN 0.532 nan 8.250 nan 0.000 0.466 648 L N 0.753 121.838 121.223 -0.230 0.000 2.131 648 L HA -0.066 4.296 4.340 0.038 0.000 0.206 648 L C 1.861 178.656 176.870 -0.125 0.000 1.087 648 L CA 0.667 55.333 54.840 -0.290 0.000 0.767 648 L CB -0.288 41.382 42.059 -0.648 0.000 0.917 648 L HN 0.044 nan 8.230 nan 0.000 0.441 649 E N -0.217 119.922 120.200 -0.101 0.000 2.394 649 E HA -0.253 4.120 4.350 0.038 0.000 0.202 649 E C 2.161 178.853 176.600 0.154 0.000 1.029 649 E CA 1.349 57.873 56.400 0.206 0.000 0.855 649 E CB -0.169 29.610 29.700 0.130 0.000 0.770 649 E HN 0.335 nan 8.360 nan 0.000 0.527 650 S N -0.289 115.446 115.700 0.057 0.000 2.478 650 S HA 0.032 4.525 4.470 0.038 0.000 0.222 650 S C 0.962 175.593 174.600 0.052 0.000 1.008 650 S CA -0.239 57.980 58.200 0.032 0.000 0.928 650 S CB 0.071 63.253 63.200 -0.030 0.000 0.781 650 S HN 0.089 nan 8.310 nan 0.000 0.518 651 L N 3.557 124.831 121.223 0.086 0.000 2.540 651 L HA 0.118 4.480 4.340 0.038 0.000 0.276 651 L C 0.674 177.611 176.870 0.112 0.000 1.212 651 L CA -0.206 54.696 54.840 0.104 0.000 0.893 651 L CB 0.284 42.439 42.059 0.160 0.000 1.138 651 L HN 0.461 nan 8.230 nan 0.000 0.491 652 E N 2.094 122.341 120.200 0.079 0.000 2.371 652 E HA 0.061 4.434 4.350 0.038 0.000 0.257 652 E C -0.167 176.486 176.600 0.089 0.000 1.134 652 E CA -0.888 55.554 56.400 0.070 0.000 0.919 652 E CB 0.807 30.535 29.700 0.046 0.000 1.025 652 E HN 0.468 nan 8.360 nan 0.000 0.438 653 D N 1.615 122.063 120.400 0.079 0.000 2.126 653 D HA -0.289 4.374 4.640 0.038 0.000 0.190 653 D C 1.934 178.304 176.300 0.116 0.000 1.001 653 D CA 2.319 56.368 54.000 0.082 0.000 0.841 653 D CB -1.205 39.635 40.800 0.067 0.000 0.949 653 D HN 0.810 nan 8.370 nan 0.000 0.446 654 D N 1.391 121.882 120.400 0.151 0.000 2.191 654 D HA -0.208 4.455 4.640 0.038 0.000 0.195 654 D C 1.574 177.965 176.300 0.152 0.000 1.003 654 D CA 1.788 55.908 54.000 0.200 0.000 0.867 654 D CB -0.461 40.429 40.800 0.151 0.000 0.926 654 D HN 0.247 nan 8.370 nan 0.000 0.450 655 D N -0.722 119.754 120.400 0.127 0.000 2.346 655 D HA 0.048 4.710 4.640 0.038 0.000 0.206 655 D C 2.022 178.503 176.300 0.301 0.000 1.001 655 D CA 0.379 54.490 54.000 0.186 0.000 0.871 655 D CB 0.888 41.799 40.800 0.185 0.000 0.943 655 D HN 0.453 nan 8.370 nan 0.000 0.518 656 V N 0.922 120.967 119.914 0.219 0.000 3.623 656 V HA -0.017 4.126 4.120 0.038 0.000 0.271 656 V C 1.711 177.904 176.094 0.165 0.000 1.248 656 V CA 0.566 62.998 62.300 0.220 0.000 1.156 656 V CB 0.230 32.135 31.823 0.136 0.000 0.870 656 V HN 0.054 nan 8.190 nan 0.000 0.453 657 L N -1.254 120.052 121.223 0.139 0.000 2.577 657 L HA 0.339 4.702 4.340 0.038 0.000 0.225 657 L C 2.053 178.930 176.870 0.012 0.000 1.053 657 L CA 1.340 56.209 54.840 0.049 0.000 0.866 657 L CB -0.310 41.744 42.059 -0.009 0.000 1.132 657 L HN 0.228 nan 8.230 nan 0.000 0.486 658 H N -2.114 116.896 119.070 -0.099 0.000 2.524 658 H HA -0.007 4.571 4.556 0.038 0.000 0.282 658 H C 0.549 175.587 175.328 -0.484 0.000 1.016 658 H CA 1.756 57.612 56.048 -0.320 0.000 1.270 658 H CB 0.194 29.693 29.762 -0.439 0.000 1.394 658 H HN 0.362 nan 8.280 nan 0.000 0.568 659 Y N -2.217 118.146 120.300 0.106 0.000 2.563 659 Y HA 0.066 4.639 4.550 0.038 0.000 0.250 659 Y C 1.443 177.377 175.900 0.057 0.000 1.126 659 Y CA -0.385 57.750 58.100 0.058 0.000 1.231 659 Y CB 0.535 39.041 38.460 0.077 0.000 1.288 659 Y HN 0.071 nan 8.280 nan 0.000 0.537 660 L N 0.500 121.843 121.223 0.201 0.000 1.990 660 L HA -0.238 4.125 4.340 0.038 0.000 0.213 660 L C 2.217 179.177 176.870 0.151 0.000 1.072 660 L CA 1.796 56.765 54.840 0.215 0.000 0.755 660 L CB -0.936 41.283 42.059 0.268 0.000 0.889 660 L HN 0.343 nan 8.230 nan 0.000 0.432 661 L N -0.414 120.802 121.223 -0.012 0.000 1.971 661 L HA -0.258 4.105 4.340 0.038 0.000 0.215 661 L C 2.526 179.275 176.870 -0.202 0.000 1.072 661 L CA 1.944 56.536 54.840 -0.412 0.000 0.758 661 L CB -1.167 40.454 42.059 -0.730 0.000 0.889 661 L HN 0.433 nan 8.230 nan 0.000 0.433 662 Q N -0.457 119.284 119.800 -0.098 0.000 2.135 662 Q HA -0.203 4.159 4.340 0.038 0.000 0.204 662 Q C 2.373 178.381 176.000 0.013 0.000 0.981 662 Q CA 2.073 57.858 55.803 -0.031 0.000 0.856 662 Q CB -0.433 28.336 28.738 0.053 0.000 0.902 662 Q HN 0.583 nan 8.270 nan 0.000 0.425 663 L N -0.302 120.960 121.223 0.065 0.000 2.056 663 L HA -0.138 4.225 4.340 0.038 0.000 0.207 663 L C 2.451 179.357 176.870 0.060 0.000 1.078 663 L CA 0.653 55.546 54.840 0.090 0.000 0.749 663 L CB -0.501 41.657 42.059 0.165 0.000 0.901 663 L HN 0.008 nan 8.230 nan 0.000 0.433 664 V N -0.548 119.385 119.914 0.032 0.000 2.490 664 V HA -0.251 3.892 4.120 0.038 0.000 0.250 664 V C 2.510 178.579 176.094 -0.042 0.000 1.061 664 V CA 1.404 63.694 62.300 -0.018 0.000 1.064 664 V CB -0.496 31.293 31.823 -0.057 0.000 0.670 664 V HN 0.486 nan 8.190 nan 0.000 0.461 665 Q N -0.222 119.523 119.800 -0.091 0.000 2.172 665 Q HA 0.018 4.380 4.340 0.038 0.000 0.200 665 Q C 2.409 178.263 176.000 -0.242 0.000 0.964 665 Q CA 1.472 57.184 55.803 -0.153 0.000 0.855 665 Q CB -0.470 28.158 28.738 -0.183 0.000 0.918 665 Q HN 0.647 nan 8.270 nan 0.000 0.444 666 A N 0.466 123.220 122.820 -0.111 0.000 2.125 666 A HA -0.074 4.269 4.320 0.038 0.000 0.219 666 A C 2.255 179.784 177.584 -0.091 0.000 1.156 666 A CA 0.801 52.808 52.037 -0.050 0.000 0.671 666 A CB -0.396 18.669 19.000 0.109 0.000 0.794 666 A HN 0.183 nan 8.150 nan 0.000 0.459 667 V N 0.138 120.019 119.914 -0.056 0.000 2.867 667 V HA -0.217 3.926 4.120 0.038 0.000 0.260 667 V C 2.021 177.990 176.094 -0.209 0.000 1.099 667 V CA 1.986 64.281 62.300 -0.008 0.000 1.122 667 V CB -0.643 31.291 31.823 0.185 0.000 0.708 667 V HN 0.567 nan 8.190 nan 0.000 0.490 668 K N -0.699 119.372 120.400 -0.548 0.000 2.555 668 K HA 0.033 4.375 4.320 0.038 0.000 0.193 668 K C 1.281 177.555 176.600 -0.544 0.000 1.032 668 K CA 0.978 56.671 56.287 -0.991 0.000 1.004 668 K CB -0.093 31.499 32.500 -1.513 0.000 0.804 668 K HN 0.504 nan 8.250 nan 0.000 0.496 669 F N 0.832 120.689 119.950 -0.155 0.000 2.678 669 F HA 0.126 4.677 4.527 0.040 0.000 0.305 669 F C 0.608 176.360 175.800 -0.080 0.000 1.090 669 F CA -0.674 57.267 58.000 -0.098 0.000 1.272 669 F CB 0.640 39.596 39.000 -0.074 0.000 1.060 669 F HN -0.159 nan 8.300 nan 0.000 0.576 670 E N 1.715 121.966 120.200 0.085 0.000 2.316 670 E HA 0.078 4.450 4.350 0.038 0.000 0.275 670 E C -1.664 174.920 176.600 -0.027 0.000 1.029 670 E CA -1.542 54.886 56.400 0.047 0.000 0.871 670 E CB 1.041 30.779 29.700 0.064 0.000 1.022 670 E HN 0.077 nan 8.360 nan 0.000 0.418 671 P HA -0.084 nan 4.420 nan 0.000 0.217 671 P C -0.479 176.519 177.300 -0.503 0.000 1.150 671 P CA 1.325 64.251 63.100 -0.290 0.000 0.832 671 P CB 0.177 31.710 31.700 -0.278 0.000 0.787 672 Y N -3.442 116.783 120.300 -0.125 0.000 2.524 672 Y HA 0.290 4.863 4.550 0.037 0.000 0.344 672 Y C 1.770 177.599 175.900 -0.119 0.000 1.012 672 Y CA -0.726 57.268 58.100 -0.176 0.000 1.068 672 Y CB 0.567 38.999 38.460 -0.047 0.000 1.249 672 Y HN -0.107 nan 8.280 nan 0.000 0.468 673 H N -1.179 118.011 119.070 0.199 0.000 2.387 673 H HA -0.112 4.467 4.556 0.038 0.000 0.299 673 H C 0.066 175.484 175.328 0.150 0.000 1.090 673 H CA 1.385 57.513 56.048 0.132 0.000 1.332 673 H CB 0.292 30.110 29.762 0.093 0.000 1.386 673 H HN 0.402 nan 8.280 nan 0.000 0.516 674 D N 0.908 121.492 120.400 0.306 0.000 2.316 674 D HA 0.155 4.818 4.640 0.038 0.000 0.245 674 D C -0.519 175.893 176.300 0.188 0.000 1.171 674 D CA -0.165 53.967 54.000 0.219 0.000 0.856 674 D CB 0.633 41.562 40.800 0.214 0.000 1.090 674 D HN 0.310 nan 8.370 nan 0.000 0.476 675 S N 1.590 117.383 115.700 0.154 0.000 2.579 675 S HA 0.635 5.128 4.470 0.038 0.000 0.272 675 S C 0.911 175.582 174.600 0.117 0.000 1.141 675 S CA -0.343 57.935 58.200 0.130 0.000 0.843 675 S CB 1.382 64.659 63.200 0.128 0.000 1.122 675 S HN 0.270 nan 8.310 nan 0.000 0.468 676 A N 0.774 123.651 122.820 0.095 0.000 1.940 676 A HA -0.033 4.310 4.320 0.038 0.000 0.219 676 A C 1.968 179.634 177.584 0.136 0.000 1.176 676 A CA 1.809 53.904 52.037 0.097 0.000 0.631 676 A CB -0.953 18.079 19.000 0.052 0.000 0.814 676 A HN 0.966 nan 8.150 nan 0.000 0.446 677 L N -0.284 121.008 121.223 0.115 0.000 1.994 677 L HA -0.061 4.302 4.340 0.038 0.000 0.208 677 L C 2.750 179.753 176.870 0.221 0.000 1.071 677 L CA 2.264 57.194 54.840 0.150 0.000 0.745 677 L CB -1.137 40.984 42.059 0.104 0.000 0.892 677 L HN 0.356 nan 8.230 nan 0.000 0.431 678 A N -0.371 122.553 122.820 0.173 0.000 1.883 678 A HA -0.236 4.107 4.320 0.038 0.000 0.217 678 A C 2.373 180.048 177.584 0.151 0.000 1.186 678 A CA 1.883 54.017 52.037 0.161 0.000 0.624 678 A CB -0.606 18.486 19.000 0.154 0.000 0.822 678 A HN 0.511 nan 8.150 nan 0.000 0.444 679 R N -2.026 118.564 120.500 0.150 0.000 2.159 679 R HA -0.137 4.226 4.340 0.038 0.000 0.237 679 R C 1.948 178.341 176.300 0.155 0.000 1.131 679 R CA 1.536 57.713 56.100 0.129 0.000 0.982 679 R CB -0.478 29.892 30.300 0.117 0.000 0.868 679 R HN 0.652 nan 8.270 nan 0.000 0.453 680 F N 1.328 121.308 119.950 0.050 0.000 2.163 680 F HA -0.044 4.507 4.527 0.039 0.000 0.297 680 F C 1.855 177.685 175.800 0.049 0.000 1.094 680 F CA 1.071 59.098 58.000 0.046 0.000 1.290 680 F CB -0.137 38.888 39.000 0.042 0.000 1.017 680 F HN -0.150 nan 8.300 nan 0.000 0.483 681 L N -0.401 120.862 121.223 0.066 0.000 2.017 681 L HA -0.204 4.158 4.340 0.038 0.000 0.208 681 L C 2.437 179.255 176.870 -0.087 0.000 1.073 681 L CA 0.794 55.603 54.840 -0.051 0.000 0.745 681 L CB -0.937 41.158 42.059 0.060 0.000 0.894 681 L HN 0.248 nan 8.230 nan 0.000 0.432 682 L N 0.247 121.470 121.223 -0.000 0.000 2.012 682 L HA -0.245 4.118 4.340 0.038 0.000 0.210 682 L C 2.511 179.394 176.870 0.023 0.000 1.073 682 L CA 1.901 56.769 54.840 0.046 0.000 0.748 682 L CB -0.622 41.478 42.059 0.068 0.000 0.891 682 L HN 0.140 nan 8.230 nan 0.000 0.431 683 K N -1.053 119.323 120.400 -0.040 0.000 1.985 683 K HA -0.134 4.209 4.320 0.038 0.000 0.210 683 K C 1.956 178.501 176.600 -0.092 0.000 1.047 683 K CA 1.369 57.621 56.287 -0.059 0.000 0.932 683 K CB -0.304 32.158 32.500 -0.063 0.000 0.716 683 K HN 0.175 nan 8.250 nan 0.000 0.439 684 R N 0.524 120.886 120.500 -0.230 0.000 2.249 684 R HA -0.064 4.299 4.340 0.038 0.000 0.230 684 R C 2.227 178.490 176.300 -0.061 0.000 1.121 684 R CA 1.210 57.189 56.100 -0.201 0.000 0.997 684 R CB -1.072 28.988 30.300 -0.401 0.000 0.867 684 R HN 0.437 nan 8.270 nan 0.000 0.465 685 G N 1.105 109.897 108.800 -0.014 0.000 2.424 685 G HA2 -0.165 3.817 3.960 0.038 0.000 0.214 685 G HA3 -0.165 3.817 3.960 0.038 0.000 0.214 685 G C 1.558 176.652 174.900 0.323 0.000 1.202 685 G CA 0.129 45.295 45.100 0.110 0.000 0.793 685 G HN 0.207 nan 8.290 nan 0.000 0.534 686 L N 0.032 121.410 121.223 0.259 0.000 2.131 686 L HA 0.011 4.374 4.340 0.038 0.000 0.210 686 L C 2.879 179.787 176.870 0.063 0.000 1.092 686 L CA 0.992 55.910 54.840 0.131 0.000 0.759 686 L CB -0.340 41.712 42.059 -0.011 0.000 0.903 686 L HN 0.192 nan 8.230 nan 0.000 0.435 687 R N 0.685 121.217 120.500 0.054 0.000 2.075 687 R HA -0.096 4.267 4.340 0.038 0.000 0.232 687 R C 0.733 177.155 176.300 0.202 0.000 1.126 687 R CA 1.084 57.212 56.100 0.046 0.000 0.963 687 R CB 0.117 30.424 30.300 0.011 0.000 0.858 687 R HN 0.350 nan 8.270 nan 0.000 0.435 688 N N -1.416 117.403 118.700 0.199 0.000 2.314 688 N HA 0.171 4.934 4.740 0.038 0.000 0.294 688 N C 0.209 175.813 175.510 0.157 0.000 1.029 688 N CA 0.008 53.164 53.050 0.177 0.000 0.845 688 N CB 1.752 40.280 38.487 0.069 0.000 1.321 688 N HN 0.067 nan 8.380 nan 0.000 0.481 689 K N 2.185 122.600 120.400 0.025 0.000 2.296 689 K HA -0.034 4.309 4.320 0.038 0.000 0.200 689 K C 1.841 178.344 176.600 -0.161 0.000 1.048 689 K CA 1.065 57.290 56.287 -0.103 0.000 0.966 689 K CB -0.355 31.899 32.500 -0.409 0.000 0.754 689 K HN 0.668 nan 8.250 nan 0.000 0.466 690 R N 0.021 120.400 120.500 -0.202 0.000 2.057 690 R HA 0.083 4.446 4.340 0.038 0.000 0.229 690 R C 2.251 178.545 176.300 -0.010 0.000 1.136 690 R CA 1.412 57.389 56.100 -0.204 0.000 0.952 690 R CB -0.346 29.764 30.300 -0.317 0.000 0.848 690 R HN 0.427 nan 8.270 nan 0.000 0.430 691 I N 0.391 120.952 120.570 -0.015 0.000 2.264 691 I HA -0.202 3.991 4.170 0.038 0.000 0.248 691 I C 2.378 178.486 176.117 -0.016 0.000 1.111 691 I CA 1.510 62.819 61.300 0.015 0.000 1.382 691 I CB -0.669 37.324 38.000 -0.011 0.000 1.060 691 I HN 0.460 nan 8.210 nan 0.000 0.418 692 G N -0.263 108.543 108.800 0.011 0.000 2.408 692 G HA2 -0.274 3.709 3.960 0.038 0.000 0.217 692 G HA3 -0.274 3.709 3.960 0.038 0.000 0.217 692 G C 1.613 176.458 174.900 -0.091 0.000 1.150 692 G CA 0.617 45.682 45.100 -0.057 0.000 0.776 692 G HN 0.436 nan 8.290 nan 0.000 0.542 693 H N -0.050 118.990 119.070 -0.050 0.000 2.319 693 H HA -0.059 4.519 4.556 0.038 0.000 0.299 693 H C 2.215 177.422 175.328 -0.202 0.000 1.092 693 H CA 1.494 57.515 56.048 -0.045 0.000 1.302 693 H CB -0.245 29.314 29.762 -0.338 0.000 1.373 693 H HN 0.398 nan 8.280 nan 0.000 0.497 694 F N 0.083 119.886 119.950 -0.246 0.000 2.325 694 F HA -0.132 4.418 4.527 0.038 0.000 0.299 694 F C 2.544 177.805 175.800 -0.897 0.000 1.090 694 F CA 0.288 57.876 58.000 -0.687 0.000 1.392 694 F CB -0.169 38.383 39.000 -0.748 0.000 1.053 694 F HN 0.154 nan 8.300 nan 0.000 0.521 695 L N -0.220 120.764 121.223 -0.398 0.000 1.994 695 L HA -0.214 4.149 4.340 0.038 0.000 0.208 695 L C 2.252 178.850 176.870 -0.453 0.000 1.071 695 L CA 1.645 56.258 54.840 -0.378 0.000 0.745 695 L CB -1.241 40.548 42.059 -0.450 0.000 0.892 695 L HN 0.171 nan 8.230 nan 0.000 0.431 696 F N -0.554 118.966 119.950 -0.717 0.000 2.032 696 F HA -0.347 4.203 4.527 0.038 0.000 0.297 696 F C 1.986 177.364 175.800 -0.704 0.000 1.125 696 F CA 2.462 59.957 58.000 -0.841 0.000 1.202 696 F CB -0.867 37.406 39.000 -1.213 0.000 0.958 696 F HN 0.168 nan 8.300 nan 0.000 0.491 697 W N -0.579 120.477 121.300 -0.408 0.000 2.425 697 W HA -0.086 4.596 4.660 0.038 0.000 0.277 697 W C 2.460 178.909 176.519 -0.116 0.000 1.231 697 W CA 1.026 58.191 57.345 -0.301 0.000 1.248 697 W CB -0.699 28.650 29.460 -0.184 0.000 1.117 697 W HN 0.055 nan 8.180 nan 0.000 0.568 698 F N -0.403 119.504 119.950 -0.071 0.000 2.163 698 F HA -0.166 4.384 4.527 0.038 0.000 0.297 698 F C 2.102 177.696 175.800 -0.343 0.000 1.094 698 F CA 0.504 58.417 58.000 -0.145 0.000 1.290 698 F CB -0.664 38.254 39.000 -0.137 0.000 1.017 698 F HN -0.219 nan 8.300 nan 0.000 0.483 699 L N -0.143 120.901 121.223 -0.298 0.000 2.056 699 L HA -0.180 4.183 4.340 0.038 0.000 0.207 699 L C 2.554 179.165 176.870 -0.431 0.000 1.078 699 L CA 1.093 55.598 54.840 -0.558 0.000 0.749 699 L CB -0.613 41.122 42.059 -0.540 0.000 0.901 699 L HN 0.071 nan 8.230 nan 0.000 0.433 700 R N 0.281 120.495 120.500 -0.478 0.000 2.081 700 R HA -0.185 4.177 4.340 0.038 0.000 0.235 700 R C 2.704 178.915 176.300 -0.149 0.000 1.131 700 R CA 1.730 57.578 56.100 -0.421 0.000 0.960 700 R CB -0.205 29.651 30.300 -0.741 0.000 0.856 700 R HN 0.439 nan 8.270 nan 0.000 0.436 701 S N 0.453 116.132 115.700 -0.035 0.000 2.374 701 S HA -0.186 4.307 4.470 0.038 0.000 0.227 701 S C 1.664 176.284 174.600 0.032 0.000 1.037 701 S CA 1.425 59.657 58.200 0.053 0.000 1.024 701 S CB -0.249 63.003 63.200 0.088 0.000 0.861 701 S HN 0.340 nan 8.310 nan 0.000 0.456 702 E N 1.296 121.499 120.200 0.006 0.000 2.072 702 E HA 0.109 4.482 4.350 0.038 0.000 0.190 702 E C 2.153 178.846 176.600 0.154 0.000 0.982 702 E CA 0.932 57.408 56.400 0.127 0.000 0.803 702 E CB -0.512 29.369 29.700 0.300 0.000 0.755 702 E HN 0.665 nan 8.360 nan 0.000 0.453 703 I N 0.997 121.619 120.570 0.088 0.000 2.361 703 I HA -0.208 3.985 4.170 0.038 0.000 0.251 703 I C 2.077 178.215 176.117 0.035 0.000 1.133 703 I CA 0.970 62.293 61.300 0.039 0.000 1.413 703 I CB -0.187 37.796 38.000 -0.029 0.000 1.073 703 I HN -0.037 nan 8.210 nan 0.000 0.424 704 A N 0.211 123.056 122.820 0.042 0.000 2.208 704 A HA -0.086 4.257 4.320 0.038 0.000 0.209 704 A C 1.687 179.319 177.584 0.081 0.000 1.161 704 A CA 0.898 52.974 52.037 0.065 0.000 0.782 704 A CB -0.245 18.795 19.000 0.068 0.000 0.816 704 A HN 0.682 nan 8.150 nan 0.000 0.477 705 Q N -2.714 117.135 119.800 0.082 0.000 1.921 705 Q HA 0.235 4.598 4.340 0.038 0.000 0.192 705 Q C -0.009 176.049 176.000 0.097 0.000 0.755 705 Q CA 0.266 56.123 55.803 0.089 0.000 0.904 705 Q CB -0.216 28.572 28.738 0.084 0.000 1.222 705 Q HN 0.213 nan 8.270 nan 0.000 0.417 706 S N 0.281 116.039 115.700 0.097 0.000 2.475 706 S HA 0.525 5.018 4.470 0.038 0.000 0.249 706 S C 1.002 175.630 174.600 0.046 0.000 1.298 706 S CA 0.466 58.731 58.200 0.109 0.000 1.125 706 S CB 0.829 64.121 63.200 0.155 0.000 1.054 706 S HN 0.480 nan 8.310 nan 0.000 0.484 707 R N 2.858 123.383 120.500 0.041 0.000 2.105 707 R HA -0.101 4.262 4.340 0.038 0.000 0.239 707 R C 1.723 177.971 176.300 -0.087 0.000 1.135 707 R CA 2.128 58.246 56.100 0.030 0.000 0.967 707 R CB -1.789 28.600 30.300 0.149 0.000 0.861 707 R HN 0.869 nan 8.270 nan 0.000 0.442 708 H N -1.786 117.093 119.070 -0.319 0.000 2.352 708 H HA -0.115 4.464 4.556 0.038 0.000 0.299 708 H C 0.589 175.447 175.328 -0.784 0.000 1.097 708 H CA 2.067 57.660 56.048 -0.759 0.000 1.311 708 H CB 0.139 29.436 29.762 -0.775 0.000 1.377 708 H HN 0.633 nan 8.280 nan 0.000 0.504 709 Y N 0.489 120.684 120.300 -0.176 0.000 2.675 709 Y HA 0.053 4.625 4.550 0.038 0.000 0.248 709 Y C 2.244 177.915 175.900 -0.382 0.000 1.161 709 Y CA -0.392 57.484 58.100 -0.373 0.000 1.203 709 Y CB 0.493 38.588 38.460 -0.609 0.000 1.262 709 Y HN 0.202 nan 8.280 nan 0.000 0.544 710 Q N 0.358 120.063 119.800 -0.157 0.000 2.083 710 Q HA -0.188 4.174 4.340 0.038 0.000 0.198 710 Q C 1.136 176.872 176.000 -0.440 0.000 0.969 710 Q CA 1.669 57.339 55.803 -0.222 0.000 0.838 710 Q CB -0.222 28.342 28.738 -0.289 0.000 0.900 710 Q HN 0.540 nan 8.270 nan 0.000 0.436 711 Q N 0.755 120.236 119.800 -0.532 0.000 2.061 711 Q HA -0.181 4.182 4.340 0.038 0.000 0.204 711 Q C 2.335 178.173 176.000 -0.270 0.000 0.984 711 Q CA 1.742 57.252 55.803 -0.487 0.000 0.846 711 Q CB -0.357 28.215 28.738 -0.276 0.000 0.902 711 Q HN 0.416 nan 8.270 nan 0.000 0.421 712 R N 0.483 120.845 120.500 -0.230 0.000 2.096 712 R HA -0.112 4.251 4.340 0.038 0.000 0.235 712 R C 2.035 178.348 176.300 0.022 0.000 1.127 712 R CA 1.166 57.177 56.100 -0.149 0.000 0.968 712 R CB -0.207 30.111 30.300 0.030 0.000 0.861 712 R HN 0.257 nan 8.270 nan 0.000 0.440 713 F N 0.504 120.414 119.950 -0.067 0.000 2.146 713 F HA -0.082 4.467 4.527 0.038 0.000 0.298 713 F C 2.615 178.349 175.800 -0.110 0.000 1.096 713 F CA 0.322 58.273 58.000 -0.081 0.000 1.275 713 F CB -0.161 38.785 39.000 -0.090 0.000 1.008 713 F HN 0.229 nan 8.300 nan 0.000 0.480 714 A N -0.373 122.478 122.820 0.051 0.000 2.076 714 A HA -0.143 4.199 4.320 0.038 0.000 0.220 714 A C 2.083 179.686 177.584 0.033 0.000 1.160 714 A CA 1.506 53.551 52.037 0.014 0.000 0.653 714 A CB -0.942 18.069 19.000 0.017 0.000 0.801 714 A HN 0.235 nan 8.150 nan 0.000 0.455 715 V N -0.472 119.454 119.914 0.020 0.000 3.052 715 V HA -0.058 4.084 4.120 0.038 0.000 0.254 715 V C 2.103 178.221 176.094 0.039 0.000 1.100 715 V CA 1.240 63.549 62.300 0.015 0.000 1.112 715 V CB -0.295 31.506 31.823 -0.035 0.000 0.738 715 V HN 0.580 nan 8.190 nan 0.000 0.469 716 I N -0.980 119.632 120.570 0.069 0.000 2.716 716 I HA -0.096 4.097 4.170 0.038 0.000 0.259 716 I C 2.167 178.311 176.117 0.045 0.000 1.172 716 I CA 0.919 62.264 61.300 0.074 0.000 1.478 716 I CB 0.009 38.078 38.000 0.115 0.000 1.104 716 I HN 0.256 nan 8.210 nan 0.000 0.439 717 L N 0.909 122.132 121.223 0.001 0.000 2.023 717 L HA -0.189 4.174 4.340 0.038 0.000 0.205 717 L C 2.658 179.557 176.870 0.049 0.000 1.073 717 L CA 1.615 56.439 54.840 -0.027 0.000 0.745 717 L CB -0.410 41.558 42.059 -0.152 0.000 0.900 717 L HN 0.324 nan 8.230 nan 0.000 0.435 718 E N 0.434 120.643 120.200 0.015 0.000 2.086 718 E HA -0.338 4.035 4.350 0.038 0.000 0.205 718 E C 1.933 178.550 176.600 0.029 0.000 1.027 718 E CA 1.919 58.324 56.400 0.008 0.000 0.830 718 E CB -0.142 29.562 29.700 0.005 0.000 0.751 718 E HN 0.518 nan 8.360 nan 0.000 0.456 719 A N -0.049 122.798 122.820 0.045 0.000 1.986 719 A HA -0.221 4.122 4.320 0.038 0.000 0.220 719 A C 2.051 179.671 177.584 0.059 0.000 1.171 719 A CA 1.731 53.797 52.037 0.047 0.000 0.640 719 A CB -0.890 18.142 19.000 0.053 0.000 0.811 719 A HN 0.674 nan 8.150 nan 0.000 0.451 720 Y N -0.051 120.241 120.300 -0.015 0.000 2.269 720 Y HA 0.085 4.657 4.550 0.038 0.000 0.294 720 Y C 1.779 177.688 175.900 0.015 0.000 1.120 720 Y CA 1.312 59.408 58.100 -0.007 0.000 1.159 720 Y CB -0.193 38.249 38.460 -0.030 0.000 1.024 720 Y HN 0.164 nan 8.280 nan 0.000 0.532 721 L N 0.418 121.626 121.223 -0.025 0.000 2.450 721 L HA -0.120 4.243 4.340 0.038 0.000 0.224 721 L C 1.118 177.939 176.870 -0.080 0.000 1.149 721 L CA 1.091 55.887 54.840 -0.074 0.000 0.816 721 L CB -0.295 41.759 42.059 -0.008 0.000 0.932 721 L HN 0.100 nan 8.230 nan 0.000 0.449 722 R N -0.257 120.208 120.500 -0.058 0.000 3.039 722 R HA 0.243 4.606 4.340 0.038 0.000 0.336 722 R C 0.843 177.120 176.300 -0.038 0.000 1.258 722 R CA 0.314 56.434 56.100 0.033 0.000 1.125 722 R CB 0.476 30.822 30.300 0.075 0.000 1.427 722 R HN 0.225 nan 8.270 nan 0.000 0.588 723 G N -0.888 107.828 108.800 -0.140 0.000 3.894 723 G HA2 -0.131 3.852 3.960 0.038 0.000 0.179 723 G HA3 -0.131 3.852 3.960 0.038 0.000 0.179 723 G C 0.930 175.709 174.900 -0.202 0.000 1.083 723 G CA -0.109 44.898 45.100 -0.154 0.000 0.841 723 G HN 0.447 nan 8.290 nan 0.000 0.598 724 C N 0.102 119.234 119.300 -0.280 0.000 2.514 724 C HA 0.624 5.107 4.460 0.038 0.000 0.271 724 C C 1.492 176.511 174.990 0.047 0.000 1.399 724 C CA 0.228 59.145 59.018 -0.169 0.000 1.765 724 C CB -0.895 26.634 27.740 -0.352 0.000 1.893 724 C HN 1.651 nan 8.230 nan 0.000 0.531 725 G N -0.225 108.582 108.800 0.012 0.000 2.459 725 G HA2 0.123 4.106 3.960 0.038 0.000 0.685 725 G HA3 0.123 4.106 3.960 0.038 0.000 0.685 725 G C 0.016 174.933 174.900 0.029 0.000 1.303 725 G CA -0.059 45.069 45.100 0.047 0.000 0.907 725 G HN 0.299 nan 8.290 nan 0.000 0.632 726 T N 0.517 115.084 114.554 0.022 0.000 3.014 726 T HA 0.306 4.679 4.350 0.038 0.000 0.263 726 T C 2.725 177.422 174.700 -0.004 0.000 1.078 726 T CA 2.109 64.225 62.100 0.026 0.000 1.135 726 T CB -0.151 68.726 68.868 0.014 0.000 0.895 726 T HN 1.523 nan 8.240 nan 0.000 0.480 727 A N 2.664 125.466 122.820 -0.031 0.000 1.834 727 A HA -0.089 4.254 4.320 0.038 0.000 0.216 727 A C 2.366 179.873 177.584 -0.129 0.000 1.203 727 A CA 1.674 53.667 52.037 -0.073 0.000 0.621 727 A CB -0.915 18.032 19.000 -0.088 0.000 0.841 727 A HN 0.385 nan 8.150 nan 0.000 0.446 728 M N -0.771 118.727 119.600 -0.171 0.000 2.089 728 M HA -0.224 4.279 4.480 0.038 0.000 0.257 728 M C 2.258 178.386 176.300 -0.286 0.000 1.071 728 M CA 1.729 56.824 55.300 -0.342 0.000 1.096 728 M CB -0.772 31.683 32.600 -0.242 0.000 1.330 728 M HN 0.414 nan 8.290 nan 0.000 0.403 729 L N -0.783 120.425 121.223 -0.026 0.000 2.129 729 L HA -0.273 4.090 4.340 0.038 0.000 0.212 729 L C 3.044 179.923 176.870 0.016 0.000 1.087 729 L CA 1.957 56.845 54.840 0.079 0.000 0.757 729 L CB -1.306 40.811 42.059 0.096 0.000 0.896 729 L HN 0.595 nan 8.230 nan 0.000 0.434 730 H N -0.850 118.197 119.070 -0.040 0.000 2.363 730 H HA -0.154 4.424 4.556 0.038 0.000 0.301 730 H C 1.890 177.175 175.328 -0.073 0.000 1.074 730 H CA 1.656 57.683 56.048 -0.035 0.000 1.354 730 H CB -0.748 28.992 29.762 -0.037 0.000 1.397 730 H HN 0.335 nan 8.280 nan 0.000 0.516 731 D N -0.123 120.166 120.400 -0.186 0.000 2.092 731 D HA -0.093 4.570 4.640 0.038 0.000 0.193 731 D C 1.872 178.058 176.300 -0.189 0.000 0.994 731 D CA 1.436 55.288 54.000 -0.246 0.000 0.828 731 D CB -0.602 39.926 40.800 -0.452 0.000 0.963 731 D HN 0.697 nan 8.370 nan 0.000 0.450 732 F N 0.876 120.700 119.950 -0.209 0.000 2.161 732 F HA -0.177 4.372 4.527 0.038 0.000 0.300 732 F C 2.558 178.279 175.800 -0.131 0.000 1.089 732 F CA 1.019 58.803 58.000 -0.360 0.000 1.282 732 F CB -0.501 38.011 39.000 -0.813 0.000 1.010 732 F HN -0.057 nan 8.300 nan 0.000 0.485 733 T N -0.975 113.634 114.554 0.091 0.000 2.746 733 T HA -0.274 4.099 4.350 0.038 0.000 0.267 733 T C 1.788 176.539 174.700 0.086 0.000 1.039 733 T CA 1.385 63.533 62.100 0.079 0.000 1.142 733 T CB -0.377 68.520 68.868 0.048 0.000 0.866 733 T HN 0.312 nan 8.240 nan 0.000 0.444 734 Q N 0.493 120.336 119.800 0.072 0.000 2.172 734 Q HA -0.082 4.281 4.340 0.038 0.000 0.200 734 Q C 2.389 178.465 176.000 0.128 0.000 0.964 734 Q CA 1.017 56.871 55.803 0.085 0.000 0.855 734 Q CB -0.015 28.765 28.738 0.071 0.000 0.918 734 Q HN 0.591 nan 8.270 nan 0.000 0.444 735 Q N -0.685 119.231 119.800 0.194 0.000 2.016 735 Q HA -0.130 4.232 4.340 0.038 0.000 0.200 735 Q C 2.143 178.336 176.000 0.322 0.000 0.978 735 Q CA 1.744 57.732 55.803 0.309 0.000 0.833 735 Q CB 0.073 29.142 28.738 0.551 0.000 0.895 735 Q HN 0.249 nan 8.270 nan 0.000 0.427 736 V N 0.984 121.099 119.914 0.335 0.000 2.469 736 V HA -0.332 3.810 4.120 0.038 0.000 0.251 736 V C 2.617 178.812 176.094 0.168 0.000 1.064 736 V CA 2.286 64.761 62.300 0.290 0.000 1.066 736 V CB -1.499 30.439 31.823 0.190 0.000 0.667 736 V HN 0.517 nan 8.190 nan 0.000 0.461 737 Q N -0.225 119.639 119.800 0.107 0.000 1.990 737 Q HA -0.211 4.152 4.340 0.038 0.000 0.200 737 Q C 2.415 178.421 176.000 0.010 0.000 0.980 737 Q CA 2.432 58.266 55.803 0.052 0.000 0.832 737 Q CB -1.283 27.479 28.738 0.040 0.000 0.897 737 Q HN 0.514 nan 8.270 nan 0.000 0.427 738 V N 1.298 121.183 119.914 -0.049 0.000 2.231 738 V HA -0.359 3.784 4.120 0.038 0.000 0.250 738 V C 2.894 178.909 176.094 -0.132 0.000 1.058 738 V CA 2.964 65.155 62.300 -0.182 0.000 1.022 738 V CB -1.573 29.925 31.823 -0.541 0.000 0.640 738 V HN 0.809 nan 8.190 nan 0.000 0.445 739 I N 0.091 120.650 120.570 -0.018 0.000 2.179 739 I HA -0.155 4.037 4.170 0.038 0.000 0.242 739 I C 2.724 178.878 176.117 0.062 0.000 1.088 739 I CA 2.892 64.254 61.300 0.103 0.000 1.357 739 I CB -1.763 36.403 38.000 0.275 0.000 1.051 739 I HN 0.530 nan 8.210 nan 0.000 0.409 740 E N 0.530 120.780 120.200 0.082 0.000 2.171 740 E HA -0.290 4.083 4.350 0.038 0.000 0.197 740 E C 1.981 178.583 176.600 0.003 0.000 0.997 740 E CA 2.074 58.510 56.400 0.061 0.000 0.810 740 E CB -0.836 28.902 29.700 0.063 0.000 0.738 740 E HN 0.867 nan 8.360 nan 0.000 0.467 741 M N -0.481 119.099 119.600 -0.032 0.000 2.102 741 M HA 0.116 4.619 4.480 0.038 0.000 0.259 741 M C 2.712 178.938 176.300 -0.123 0.000 1.083 741 M CA 1.263 56.527 55.300 -0.061 0.000 1.141 741 M CB -0.325 32.240 32.600 -0.059 0.000 1.318 741 M HN 0.223 nan 8.290 nan 0.000 0.421 742 L N 0.272 121.361 121.223 -0.224 0.000 2.189 742 L HA -0.257 4.106 4.340 0.038 0.000 0.214 742 L C 2.474 179.072 176.870 -0.453 0.000 1.097 742 L CA 1.339 55.918 54.840 -0.435 0.000 0.764 742 L CB -0.729 40.849 42.059 -0.802 0.000 0.900 742 L HN 0.465 nan 8.230 nan 0.000 0.436 743 Q N -0.490 119.160 119.800 -0.250 0.000 2.245 743 Q HA -0.116 4.246 4.340 0.038 0.000 0.201 743 Q C 2.120 178.096 176.000 -0.040 0.000 0.955 743 Q CA 0.724 56.487 55.803 -0.066 0.000 0.870 743 Q CB 0.078 28.871 28.738 0.092 0.000 0.945 743 Q HN 0.470 nan 8.270 nan 0.000 0.461 744 K N 0.313 120.680 120.400 -0.055 0.000 2.057 744 K HA -0.095 4.248 4.320 0.038 0.000 0.206 744 K C 2.120 178.691 176.600 -0.049 0.000 1.050 744 K CA 1.288 57.552 56.287 -0.039 0.000 0.935 744 K CB -0.146 32.334 32.500 -0.033 0.000 0.715 744 K HN 0.056 nan 8.250 nan 0.000 0.439 745 V N 1.562 121.432 119.914 -0.074 0.000 2.343 745 V HA -0.237 3.905 4.120 0.038 0.000 0.247 745 V C 2.278 178.346 176.094 -0.043 0.000 1.051 745 V CA 2.103 64.365 62.300 -0.063 0.000 1.036 745 V CB -0.831 30.939 31.823 -0.088 0.000 0.654 745 V HN 0.374 nan 8.190 nan 0.000 0.451 746 T N 0.622 115.145 114.554 -0.050 0.000 2.684 746 T HA -0.145 4.228 4.350 0.038 0.000 0.267 746 T C 1.881 176.593 174.700 0.019 0.000 1.036 746 T CA 1.719 63.828 62.100 0.014 0.000 1.148 746 T CB -0.325 68.584 68.868 0.068 0.000 0.863 746 T HN 0.316 nan 8.240 nan 0.000 0.436 747 L N 0.758 121.971 121.223 -0.016 0.000 2.017 747 L HA -0.103 4.260 4.340 0.038 0.000 0.208 747 L C 2.599 179.436 176.870 -0.056 0.000 1.073 747 L CA 1.212 56.007 54.840 -0.075 0.000 0.745 747 L CB -0.651 41.345 42.059 -0.105 0.000 0.894 747 L HN 0.203 nan 8.230 nan 0.000 0.432 748 D N 0.786 121.164 120.400 -0.037 0.000 2.120 748 D HA -0.210 4.453 4.640 0.038 0.000 0.191 748 D C 2.115 178.406 176.300 -0.014 0.000 0.994 748 D CA 1.721 55.706 54.000 -0.026 0.000 0.838 748 D CB -0.301 40.486 40.800 -0.021 0.000 0.976 748 D HN 0.312 nan 8.370 nan 0.000 0.447 749 I N 0.805 121.373 120.570 -0.005 0.000 2.874 749 I HA -0.247 3.946 4.170 0.038 0.000 0.271 749 I C 2.302 178.428 176.117 0.016 0.000 1.263 749 I CA 0.919 62.224 61.300 0.008 0.000 1.443 749 I CB -0.287 37.724 38.000 0.019 0.000 1.100 749 I HN 0.010 nan 8.210 nan 0.000 0.480 750 K N 0.958 121.364 120.400 0.010 0.000 2.308 750 K HA -0.049 4.294 4.320 0.038 0.000 0.197 750 K C 2.254 178.859 176.600 0.007 0.000 1.049 750 K CA 0.913 57.212 56.287 0.019 0.000 0.991 750 K CB 0.150 32.662 32.500 0.020 0.000 0.836 750 K HN 0.311 nan 8.250 nan 0.000 0.500 751 S N 1.076 116.771 115.700 -0.009 0.000 2.465 751 S HA -0.099 4.394 4.470 0.038 0.000 0.241 751 S C 1.077 175.677 174.600 0.000 0.000 1.000 751 S CA 0.443 58.637 58.200 -0.009 0.000 0.964 751 S CB -0.735 62.455 63.200 -0.016 0.000 0.763 751 S HN 0.194 nan 8.310 nan 0.000 0.512 764 I N 0.955 121.526 120.570 0.001 0.000 2.850 764 I HA -0.089 4.104 4.170 0.038 0.000 0.266 764 I C 2.032 178.149 176.117 -0.000 0.000 1.257 764 I CA 2.133 63.433 61.300 0.001 0.000 1.465 764 I CB 0.184 38.181 38.000 -0.005 0.000 1.091 764 I HN 0.520 nan 8.210 nan 0.000 0.467 765 S N 0.391 116.091 115.700 -0.001 0.000 2.348 765 S HA -0.250 4.243 4.470 0.038 0.000 0.219 765 S C 1.977 176.576 174.600 -0.001 0.000 1.033 765 S CA 1.536 59.735 58.200 -0.001 0.000 0.974 765 S CB -0.178 63.021 63.200 -0.002 0.000 0.868 765 S HN 0.708 nan 8.310 nan 0.000 0.459 766 Q N 0.137 119.937 119.800 -0.000 0.000 2.432 766 Q HA 0.104 4.467 4.340 0.038 0.000 0.205 766 Q C 2.086 178.085 176.000 -0.001 0.000 0.945 766 Q CA 0.729 56.531 55.803 -0.001 0.000 0.924 766 Q CB -0.374 28.364 28.738 -0.001 0.000 1.016 766 Q HN 0.572 nan 8.270 nan 0.000 0.503 767 L N 0.671 121.895 121.223 0.002 0.000 1.932 767 L HA -0.188 4.175 4.340 0.038 0.000 0.217 767 L C 2.356 179.226 176.870 0.000 0.000 1.077 767 L CA 2.549 57.391 54.840 0.004 0.000 0.765 767 L CB -1.616 40.449 42.059 0.011 0.000 0.888 767 L HN 0.221 nan 8.230 nan 0.000 0.433 768 K N -0.309 120.091 120.400 0.001 0.000 2.209 768 K HA -0.153 4.190 4.320 0.038 0.000 0.204 768 K C 2.659 179.256 176.600 -0.005 0.000 1.048 768 K CA 1.537 57.822 56.287 -0.003 0.000 0.940 768 K CB -0.406 32.094 32.500 -0.001 0.000 0.729 768 K HN 0.794 nan 8.250 nan 0.000 0.451 769 Q N 1.919 121.717 119.800 -0.003 0.000 2.096 769 Q HA -0.235 4.128 4.340 0.038 0.000 0.204 769 Q C 1.908 177.904 176.000 -0.005 0.000 0.982 769 Q CA 2.214 58.015 55.803 -0.003 0.000 0.850 769 Q CB -0.520 28.217 28.738 -0.003 0.000 0.901 769 Q HN 0.405 nan 8.270 nan 0.000 0.422 770 K N -0.761 119.635 120.400 -0.007 0.000 2.076 770 K HA 0.129 4.471 4.320 0.038 0.000 0.204 770 K C 2.243 178.834 176.600 -0.015 0.000 1.051 770 K CA 0.608 56.888 56.287 -0.011 0.000 0.949 770 K CB -0.136 32.356 32.500 -0.013 0.000 0.726 770 K HN 0.448 nan 8.250 nan 0.000 0.443 771 L N 1.283 122.496 121.223 -0.016 0.000 1.955 771 L HA -0.244 4.119 4.340 0.038 0.000 0.213 771 L C 2.972 179.832 176.870 -0.018 0.000 1.072 771 L CA 2.165 56.990 54.840 -0.024 0.000 0.755 771 L CB -0.937 41.106 42.059 -0.027 0.000 0.888 771 L HN 0.448 nan 8.230 nan 0.000 0.432 772 E N 0.218 120.411 120.200 -0.012 0.000 2.086 772 E HA -0.376 3.997 4.350 0.038 0.000 0.200 772 E C 1.757 178.356 176.600 -0.002 0.000 1.012 772 E CA 2.162 58.559 56.400 -0.006 0.000 0.812 772 E CB -1.427 28.271 29.700 -0.003 0.000 0.743 772 E HN 0.688 nan 8.360 nan 0.000 0.453 773 N N -0.521 118.177 118.700 -0.003 0.000 2.364 773 N HA -0.118 4.645 4.740 0.038 0.000 0.183 773 N C 1.932 177.442 175.510 0.000 0.000 1.022 773 N CA 0.805 53.854 53.050 -0.001 0.000 0.883 773 N CB -0.084 38.401 38.487 -0.003 0.000 0.965 773 N HN 0.351 nan 8.380 nan 0.000 0.438 774 L N 1.334 122.555 121.223 -0.003 0.000 2.023 774 L HA -0.120 4.243 4.340 0.038 0.000 0.205 774 L C 2.393 179.271 176.870 0.013 0.000 1.073 774 L CA 1.692 56.532 54.840 -0.001 0.000 0.745 774 L CB -1.347 40.705 42.059 -0.012 0.000 0.900 774 L HN 0.259 nan 8.230 nan 0.000 0.435 775 Q N 0.771 120.581 119.800 0.016 0.000 2.135 775 Q HA -0.197 4.166 4.340 0.038 0.000 0.204 775 Q C 1.963 177.981 176.000 0.030 0.000 0.981 775 Q CA 2.323 58.146 55.803 0.033 0.000 0.856 775 Q CB -0.808 27.946 28.738 0.028 0.000 0.902 775 Q HN 0.602 nan 8.270 nan 0.000 0.425 776 N N -0.807 117.905 118.700 0.019 0.000 2.212 776 N HA -0.335 4.428 4.740 0.038 0.000 0.181 776 N C 1.814 177.337 175.510 0.021 0.000 0.861 776 N CA 3.742 56.803 53.050 0.017 0.000 0.898 776 N CB -1.444 37.050 38.487 0.012 0.000 1.038 776 N HN 0.747 nan 8.380 nan 0.000 0.875 777 S N -3.781 111.932 115.700 0.022 0.000 2.583 777 S HA 0.531 5.024 4.470 0.038 0.000 0.264 777 S C 1.846 176.462 174.600 0.026 0.000 1.008 777 S CA 1.505 59.719 58.200 0.023 0.000 1.435 777 S CB -0.435 62.776 63.200 0.018 0.000 1.236 777 S HN 1.151 nan 8.310 nan 0.000 0.669 778 Q N 0.490 120.304 119.800 0.024 0.000 1.937 778 Q HA 0.667 5.030 4.340 0.038 0.000 0.198 778 Q C 1.631 177.652 176.000 0.034 0.000 0.977 778 Q CA 1.335 57.152 55.803 0.022 0.000 0.836 778 Q CB -1.904 26.842 28.738 0.012 0.000 0.899 778 Q HN 1.857 nan 8.270 nan 0.000 0.437 779 L N 2.525 123.774 121.223 0.042 0.000 2.771 779 L HA 0.336 4.699 4.340 0.038 0.000 0.278 779 L C -1.451 175.474 176.870 0.091 0.000 1.175 779 L CA -0.542 54.340 54.840 0.071 0.000 0.973 779 L CB -1.565 40.559 42.059 0.109 0.000 1.286 779 L HN 0.429 nan 8.230 nan 0.000 0.481 780 P HA -0.019 nan 4.420 nan 0.000 0.273 780 P C 0.953 178.322 177.300 0.114 0.000 1.237 780 P CA -0.097 63.060 63.100 0.094 0.000 0.813 780 P CB 0.670 32.431 31.700 0.101 0.000 0.930 781 E N -0.286 119.965 120.200 0.084 0.000 2.001 781 E HA -0.093 4.280 4.350 0.038 0.000 0.195 781 E C 0.507 177.158 176.600 0.084 0.000 1.002 781 E CA 1.509 57.952 56.400 0.071 0.000 0.819 781 E CB -0.390 29.334 29.700 0.041 0.000 0.769 781 E HN 0.322 nan 8.360 nan 0.000 0.454 782 S N -0.353 115.387 115.700 0.066 0.000 2.677 782 S HA 0.420 4.912 4.470 0.038 0.000 0.283 782 S C -0.926 173.696 174.600 0.036 0.000 1.159 782 S CA -0.880 57.332 58.200 0.021 0.000 1.001 782 S CB 0.062 63.234 63.200 -0.046 0.000 1.032 782 S HN 0.151 nan 8.310 nan 0.000 0.487 783 F N 3.011 122.915 119.950 -0.075 0.000 2.483 783 F HA 0.731 5.281 4.527 0.038 0.000 0.329 783 F C -0.007 175.698 175.800 -0.159 0.000 1.064 783 F CA -1.176 56.765 58.000 -0.099 0.000 0.986 783 F CB 0.915 39.864 39.000 -0.084 0.000 1.218 783 F HN 0.453 nan 8.300 nan 0.000 0.484 784 R N 1.657 122.136 120.500 -0.035 0.000 2.349 784 R HA 0.499 4.862 4.340 0.038 0.000 0.299 784 R C -1.215 174.993 176.300 -0.153 0.000 1.027 784 R CA -0.882 55.086 56.100 -0.221 0.000 0.958 784 R CB 1.672 31.862 30.300 -0.183 0.000 1.047 784 R HN 0.713 nan 8.270 nan 0.000 0.468 785 V N 7.562 127.228 119.914 -0.415 0.000 2.390 785 V HA 0.044 4.187 4.120 0.038 0.000 0.260 785 V C -1.561 174.274 176.094 -0.433 0.000 1.043 785 V CA -0.997 61.023 62.300 -0.468 0.000 1.047 785 V CB 0.917 32.296 31.823 -0.740 0.000 1.066 785 V HN 0.733 nan 8.190 nan 0.000 0.481 786 P HA -0.199 nan 4.420 nan 0.000 0.219 786 P C 0.985 178.170 177.300 -0.192 0.000 1.145 786 P CA 1.661 64.556 63.100 -0.342 0.000 0.813 786 P CB -0.047 31.103 31.700 -0.916 0.000 0.771 787 Y N -3.162 117.089 120.300 -0.082 0.000 2.478 787 Y HA 0.416 4.988 4.550 0.038 0.000 0.261 787 Y C 0.224 176.229 175.900 0.176 0.000 1.127 787 Y CA -0.428 57.731 58.100 0.099 0.000 1.288 787 Y CB -0.366 38.124 38.460 0.051 0.000 1.084 787 Y HN -0.209 nan 8.280 nan 0.000 0.530 788 D N 2.095 122.399 120.400 -0.159 0.000 2.517 788 D HA 0.216 4.878 4.640 0.038 0.000 0.263 788 D C -2.121 173.999 176.300 -0.299 0.000 1.233 788 D CA -2.508 51.444 54.000 -0.080 0.000 0.849 788 D CB 1.121 41.899 40.800 -0.037 0.000 1.261 788 D HN -0.049 nan 8.370 nan 0.000 0.516 789 P HA -0.117 nan 4.420 nan 0.000 0.219 789 P C 1.057 178.091 177.300 -0.444 0.000 1.145 789 P CA 0.879 63.559 63.100 -0.701 0.000 0.813 789 P CB 0.204 31.233 31.700 -1.118 0.000 0.771 790 G N -0.377 108.248 108.800 -0.292 0.000 3.496 790 G HA2 0.386 4.369 3.960 0.038 0.000 0.273 790 G HA3 0.386 4.369 3.960 0.038 0.000 0.273 790 G C 0.046 174.814 174.900 -0.219 0.000 1.279 790 G CA -0.163 44.812 45.100 -0.209 0.000 1.041 790 G HN 0.210 nan 8.290 nan 0.000 0.539 791 L N 0.788 121.854 121.223 -0.263 0.000 2.491 791 L HA 0.377 4.739 4.340 0.038 0.000 0.267 791 L C -0.581 176.090 176.870 -0.332 0.000 0.971 791 L CA -1.045 53.639 54.840 -0.260 0.000 0.857 791 L CB 2.120 44.034 42.059 -0.242 0.000 1.226 791 L HN -0.089 nan 8.230 nan 0.000 0.408 792 K N 2.059 122.282 120.400 -0.294 0.000 2.102 792 K HA 0.822 5.165 4.320 0.038 0.000 0.244 792 K C -0.246 176.086 176.600 -0.446 0.000 1.021 792 K CA -0.413 55.662 56.287 -0.354 0.000 0.913 792 K CB 1.901 34.260 32.500 -0.235 0.000 1.062 792 K HN 0.627 nan 8.250 nan 0.000 0.485 793 A N -0.081 122.377 122.820 -0.603 0.000 2.449 793 A HA 0.703 5.046 4.320 0.038 0.000 0.302 793 A C 0.040 177.467 177.584 -0.262 0.000 1.048 793 A CA -0.167 51.504 52.037 -0.611 0.000 0.708 793 A CB 1.786 19.891 19.000 -1.492 0.000 1.274 793 A HN 0.632 nan 8.150 nan 0.000 0.410 794 G N 0.071 108.869 108.800 -0.003 0.000 3.410 794 G HA2 0.684 4.667 3.960 0.038 0.000 0.189 794 G HA3 0.684 4.667 3.960 0.038 0.000 0.189 794 G C 0.522 175.581 174.900 0.266 0.000 1.404 794 G CA 0.237 45.403 45.100 0.109 0.000 0.898 794 G HN 1.598 nan 8.290 nan 0.000 0.650 795 A N -1.023 121.910 122.820 0.188 0.000 2.296 795 A HA 0.619 4.962 4.320 0.038 0.000 0.264 795 A C -0.602 177.070 177.584 0.148 0.000 1.097 795 A CA -0.146 51.994 52.037 0.172 0.000 0.811 795 A CB 0.140 19.194 19.000 0.091 0.000 1.072 795 A HN 0.442 nan 8.150 nan 0.000 0.495 796 L N 0.107 121.330 121.223 0.001 0.000 2.325 796 L HA 0.540 4.903 4.340 0.038 0.000 0.279 796 L C 0.913 177.724 176.870 -0.098 0.000 1.054 796 L CA 0.018 54.729 54.840 -0.215 0.000 0.804 796 L CB 0.944 42.739 42.059 -0.438 0.000 1.200 796 L HN 0.663 nan 8.230 nan 0.000 0.436 797 A N 2.788 125.561 122.820 -0.078 0.000 3.052 797 A HA 0.239 4.581 4.320 0.038 0.000 0.266 797 A C 1.523 179.096 177.584 -0.017 0.000 1.855 797 A CA -0.150 51.881 52.037 -0.010 0.000 1.473 797 A CB -1.355 17.666 19.000 0.035 0.000 1.038 797 A HN 0.802 nan 8.150 nan 0.000 0.619 798 I N 0.635 121.184 120.570 -0.035 0.000 2.147 798 I HA -0.358 3.835 4.170 0.038 0.000 0.245 798 I C 2.021 178.141 176.117 0.005 0.000 1.059 798 I CA 2.143 63.428 61.300 -0.025 0.000 1.320 798 I CB -0.314 37.674 38.000 -0.019 0.000 1.021 798 I HN 0.664 nan 8.210 nan 0.000 0.415 799 E N 0.880 121.087 120.200 0.012 0.000 2.533 799 E HA -0.074 4.299 4.350 0.038 0.000 0.203 799 E C 1.577 178.196 176.600 0.032 0.000 1.101 799 E CA 1.268 57.679 56.400 0.018 0.000 0.894 799 E CB -0.714 28.997 29.700 0.018 0.000 0.843 799 E HN 0.620 nan 8.360 nan 0.000 0.552 800 K N -0.239 120.194 120.400 0.054 0.000 2.529 800 K HA 0.261 4.604 4.320 0.038 0.000 0.215 800 K C 0.477 177.177 176.600 0.167 0.000 1.286 800 K CA 0.267 56.614 56.287 0.100 0.000 0.997 800 K CB -0.494 32.092 32.500 0.143 0.000 1.063 800 K HN 0.239 nan 8.250 nan 0.000 0.590 801 C N 2.693 122.071 119.300 0.131 0.000 2.593 801 C HA 0.643 5.125 4.460 0.038 0.000 0.409 801 C C 0.563 175.630 174.990 0.129 0.000 1.304 801 C CA -0.677 58.451 59.018 0.182 0.000 2.007 801 C CB -0.173 27.606 27.740 0.067 0.000 2.614 801 C HN 0.800 nan 8.230 nan 0.000 0.585 802 K N 1.222 121.728 120.400 0.178 0.000 2.056 802 K HA 0.854 5.197 4.320 0.038 0.000 0.252 802 K C -1.853 174.819 176.600 0.120 0.000 0.900 802 K CA -0.717 55.617 56.287 0.077 0.000 0.763 802 K CB 0.974 33.443 32.500 -0.052 0.000 1.558 802 K HN 0.181 nan 8.250 nan 0.000 0.448 803 V N 1.793 121.746 119.914 0.065 0.000 2.462 803 V HA 0.278 4.421 4.120 0.038 0.000 0.288 803 V C -0.500 175.625 176.094 0.052 0.000 1.020 803 V CA -0.672 61.678 62.300 0.083 0.000 0.857 803 V CB 1.234 33.090 31.823 0.054 0.000 1.013 803 V HN 0.656 nan 8.190 nan 0.000 0.431 804 M N 3.172 122.828 119.600 0.093 0.000 2.243 804 M HA 0.249 4.752 4.480 0.038 0.000 0.309 804 M C 0.793 177.105 176.300 0.020 0.000 1.050 804 M CA 0.605 55.935 55.300 0.051 0.000 1.139 804 M CB 0.421 33.089 32.600 0.113 0.000 1.457 804 M HN 0.749 nan 8.290 nan 0.000 0.440 805 A N 2.724 125.538 122.820 -0.010 0.000 2.350 805 A HA 0.585 4.928 4.320 0.038 0.000 0.293 805 A C -0.420 177.155 177.584 -0.014 0.000 1.231 805 A CA -0.096 51.931 52.037 -0.018 0.000 0.883 805 A CB -0.266 18.712 19.000 -0.037 0.000 1.133 805 A HN 0.824 nan 8.150 nan 0.000 0.533 806 S N 0.441 116.136 115.700 -0.007 0.000 2.712 806 S HA 0.510 5.003 4.470 0.038 0.000 0.279 806 S C 0.630 175.231 174.600 0.000 0.000 1.025 806 S CA -0.091 58.103 58.200 -0.010 0.000 0.861 806 S CB 0.571 63.766 63.200 -0.008 0.000 1.091 806 S HN 1.471 nan 8.310 nan 0.000 0.457 807 K N 0.540 120.936 120.400 -0.007 0.000 2.127 807 K HA -0.035 4.308 4.320 0.038 0.000 0.208 807 K C 0.798 177.411 176.600 0.023 0.000 1.047 807 K CA 1.711 58.000 56.287 0.004 0.000 0.927 807 K CB -0.803 31.695 32.500 -0.003 0.000 0.716 807 K HN 0.593 nan 8.250 nan 0.000 0.450 808 K N 0.998 121.414 120.400 0.026 0.000 2.218 808 K HA 0.216 4.558 4.320 0.038 0.000 0.276 808 K C -0.445 176.189 176.600 0.056 0.000 1.022 808 K CA -0.518 55.798 56.287 0.049 0.000 0.946 808 K CB 1.590 34.115 32.500 0.042 0.000 1.000 808 K HN 0.031 nan 8.250 nan 0.000 0.468 809 K N 3.124 123.570 120.400 0.076 0.000 2.847 809 K HA 0.278 4.620 4.320 0.038 0.000 0.213 809 K C -2.475 174.188 176.600 0.105 0.000 1.174 809 K CA -2.116 54.217 56.287 0.076 0.000 1.095 809 K CB 0.314 32.851 32.500 0.062 0.000 1.581 809 K HN 0.349 nan 8.250 nan 0.000 0.514 810 P HA 0.020 nan 4.420 nan 0.000 0.270 810 P C -0.214 177.197 177.300 0.184 0.000 1.221 810 P CA -0.068 63.126 63.100 0.157 0.000 0.788 810 P CB 0.717 32.504 31.700 0.145 0.000 0.904 811 L N 1.698 123.058 121.223 0.229 0.000 2.298 811 L HA 0.313 4.676 4.340 0.038 0.000 0.284 811 L C -0.203 176.852 176.870 0.308 0.000 1.013 811 L CA -0.521 54.465 54.840 0.242 0.000 0.824 811 L CB 0.899 43.077 42.059 0.198 0.000 1.221 811 L HN 0.483 nan 8.230 nan 0.000 0.418 812 W N 7.335 128.700 121.300 0.109 0.000 2.422 812 W HA 0.379 5.062 4.660 0.038 0.000 0.349 812 W C -1.534 175.045 176.519 0.100 0.000 1.062 812 W CA -0.443 56.967 57.345 0.109 0.000 1.497 812 W CB 0.491 29.993 29.460 0.071 0.000 1.407 812 W HN 0.390 nan 8.180 nan 0.000 0.393 813 L N 4.347 125.641 121.223 0.118 0.000 2.344 813 L HA 0.743 5.106 4.340 0.038 0.000 0.272 813 L C 0.356 177.215 176.870 -0.018 0.000 1.035 813 L CA -0.541 54.336 54.840 0.061 0.000 0.807 813 L CB 1.383 43.504 42.059 0.103 0.000 1.237 813 L HN 0.342 nan 8.230 nan 0.000 0.442 814 E N 1.961 122.092 120.200 -0.115 0.000 2.278 814 E HA 0.644 5.016 4.350 0.038 0.000 0.272 814 E C -1.740 174.775 176.600 -0.142 0.000 0.890 814 E CA -0.521 55.892 56.400 0.021 0.000 0.770 814 E CB 1.813 31.585 29.700 0.120 0.000 1.212 814 E HN 0.349 nan 8.360 nan 0.000 0.415 815 F N 0.305 120.309 119.950 0.091 0.000 2.594 815 F HA 0.843 5.392 4.527 0.038 0.000 0.335 815 F C 0.992 176.814 175.800 0.037 0.000 1.058 815 F CA -0.707 57.341 58.000 0.080 0.000 0.981 815 F CB 1.826 40.881 39.000 0.090 0.000 1.289 815 F HN 0.651 nan 8.300 nan 0.000 0.490 816 K N -0.743 119.788 120.400 0.219 0.000 2.098 816 K HA 0.592 4.934 4.320 0.038 0.000 0.258 816 K C -0.654 175.984 176.600 0.063 0.000 0.973 816 K CA -0.701 55.653 56.287 0.111 0.000 0.898 816 K CB 0.915 33.463 32.500 0.080 0.000 1.057 816 K HN 0.966 nan 8.250 nan 0.000 0.447 817 C N 2.279 121.590 119.300 0.018 0.000 2.464 817 C HA 0.597 5.080 4.460 0.038 0.000 0.370 817 C C 1.473 176.439 174.990 -0.041 0.000 1.267 817 C CA -0.090 58.905 59.018 -0.037 0.000 1.781 817 C CB -1.308 26.410 27.740 -0.036 0.000 2.431 817 C HN 0.918 nan 8.230 nan 0.000 0.556 818 A N 4.710 127.486 122.820 -0.074 0.000 2.176 818 A HA 0.131 4.474 4.320 0.038 0.000 0.214 818 A C 0.577 178.125 177.584 -0.060 0.000 1.327 818 A CA 0.625 52.627 52.037 -0.058 0.000 1.015 818 A CB -0.576 18.377 19.000 -0.079 0.000 0.818 818 A HN 0.931 nan 8.150 nan 0.000 0.500 819 D N -0.817 119.548 120.400 -0.058 0.000 2.629 819 D HA 0.382 5.044 4.640 0.038 0.000 0.250 819 D C -2.246 174.027 176.300 -0.045 0.000 1.126 819 D CA -1.490 52.474 54.000 -0.060 0.000 0.852 819 D CB 2.163 42.914 40.800 -0.082 0.000 1.335 819 D HN -0.054 nan 8.370 nan 0.000 0.518 820 P HA -0.051 nan 4.420 nan 0.000 0.214 820 P C 1.399 178.676 177.300 -0.039 0.000 1.162 820 P CA 1.418 64.501 63.100 -0.028 0.000 0.871 820 P CB 0.049 31.737 31.700 -0.019 0.000 0.783 821 T N -2.101 112.419 114.554 -0.056 0.000 3.052 821 T HA -0.021 4.351 4.350 0.038 0.000 0.270 821 T C 0.887 175.522 174.700 -0.107 0.000 1.147 821 T CA 0.364 62.414 62.100 -0.083 0.000 1.089 821 T CB -1.183 67.623 68.868 -0.104 0.000 0.875 821 T HN 0.077 nan 8.240 nan 0.000 0.541 822 A N 0.693 123.465 122.820 -0.080 0.000 2.484 822 A HA 0.629 4.972 4.320 0.038 0.000 0.268 822 A C 1.038 178.581 177.584 -0.068 0.000 1.114 822 A CA 0.094 52.089 52.037 -0.071 0.000 0.780 822 A CB -0.381 18.589 19.000 -0.049 0.000 1.061 822 A HN 1.246 nan 8.150 nan 0.000 0.505 823 L N 2.529 123.694 121.223 -0.096 0.000 2.912 823 L HA 0.560 4.922 4.340 0.038 0.000 0.246 823 L C 0.666 177.507 176.870 -0.048 0.000 1.371 823 L CA 0.965 55.743 54.840 -0.103 0.000 1.196 823 L CB -1.995 39.929 42.059 -0.226 0.000 1.596 823 L HN 1.056 nan 8.230 nan 0.000 0.429 824 S N -1.325 114.364 115.700 -0.018 0.000 2.595 824 S HA 0.369 4.862 4.470 0.038 0.000 0.270 824 S C 0.351 174.961 174.600 0.017 0.000 1.145 824 S CA 0.188 58.393 58.200 0.008 0.000 0.825 824 S CB 1.272 64.487 63.200 0.026 0.000 1.107 824 S HN 0.549 nan 8.310 nan 0.000 0.461 825 N N 0.926 119.643 118.700 0.028 0.000 2.236 825 N HA 0.204 4.967 4.740 0.038 0.000 0.196 825 N C -0.087 175.451 175.510 0.048 0.000 1.114 825 N CA -0.019 53.051 53.050 0.034 0.000 0.859 825 N CB 0.219 38.727 38.487 0.034 0.000 0.982 825 N HN 0.583 nan 8.380 nan 0.000 0.493 826 E N 0.516 120.748 120.200 0.053 0.000 2.481 826 E HA -0.032 4.340 4.350 0.038 0.000 0.263 826 E C 0.022 176.666 176.600 0.074 0.000 0.992 826 E CA 0.223 56.666 56.400 0.071 0.000 0.938 826 E CB 0.431 30.177 29.700 0.077 0.000 0.933 826 E HN 0.333 nan 8.360 nan 0.000 0.453 827 T N 1.101 115.711 114.554 0.094 0.000 2.862 827 T HA 0.526 4.899 4.350 0.038 0.000 0.276 827 T C 0.532 175.298 174.700 0.111 0.000 0.974 827 T CA -0.807 61.357 62.100 0.107 0.000 0.966 827 T CB 0.575 69.520 68.868 0.128 0.000 1.072 827 T HN 0.393 nan 8.240 nan 0.000 0.538 828 I N 1.653 122.305 120.570 0.137 0.000 2.371 828 I HA 0.398 4.591 4.170 0.038 0.000 0.282 828 I C 1.063 177.304 176.117 0.208 0.000 1.031 828 I CA -0.812 60.565 61.300 0.129 0.000 1.180 828 I CB 0.726 38.751 38.000 0.043 0.000 1.336 828 I HN 0.955 nan 8.210 nan 0.000 0.467 829 G N 7.141 116.014 108.800 0.121 0.000 2.572 829 G HA2 0.690 4.673 3.960 0.038 0.000 0.261 829 G HA3 0.690 4.673 3.960 0.038 0.000 0.261 829 G C -0.499 174.454 174.900 0.089 0.000 1.197 829 G CA -0.215 44.890 45.100 0.009 0.000 0.870 829 G HN 0.541 nan 8.290 nan 0.000 0.548 830 I N 0.396 120.974 120.570 0.012 0.000 2.702 830 I HA 0.164 4.357 4.170 0.038 0.000 0.287 830 I C -0.969 175.158 176.117 0.018 0.000 1.342 830 I CA -0.410 60.958 61.300 0.115 0.000 1.063 830 I CB 2.244 40.477 38.000 0.390 0.000 1.331 830 I HN 0.262 nan 8.210 nan 0.000 0.427 831 I N 6.015 126.536 120.570 -0.082 0.000 2.337 831 I HA 0.325 4.518 4.170 0.038 0.000 0.285 831 I C -0.658 175.470 176.117 0.020 0.000 1.041 831 I CA -0.356 60.936 61.300 -0.012 0.000 1.199 831 I CB 0.640 38.601 38.000 -0.065 0.000 1.370 831 I HN 0.298 nan 8.210 nan 0.000 0.470 832 F N 6.052 126.047 119.950 0.076 0.000 2.396 832 F HA 0.430 4.980 4.527 0.038 0.000 0.343 832 F C 0.485 176.339 175.800 0.089 0.000 1.104 832 F CA -0.002 58.048 58.000 0.084 0.000 1.161 832 F CB 1.009 40.065 39.000 0.094 0.000 1.146 832 F HN 0.331 nan 8.300 nan 0.000 0.522 833 K N 2.145 122.686 120.400 0.236 0.000 2.498 833 K HA 0.363 4.706 4.320 0.038 0.000 0.254 833 K C -1.994 174.720 176.600 0.189 0.000 0.933 833 K CA -0.874 55.523 56.287 0.184 0.000 0.806 833 K CB 1.557 34.118 32.500 0.102 0.000 1.301 833 K HN 0.769 nan 8.250 nan 0.000 0.432 834 H N 0.951 120.086 119.070 0.109 0.000 2.495 834 H HA 0.527 5.106 4.556 0.038 0.000 0.348 834 H C 0.411 175.781 175.328 0.070 0.000 1.113 834 H CA 0.921 57.024 56.048 0.092 0.000 1.195 834 H CB 1.945 31.759 29.762 0.086 0.000 1.521 834 H HN 0.775 nan 8.280 nan 0.000 0.509 835 G N 3.888 112.317 108.800 -0.619 0.000 2.336 835 G HA2 -0.161 3.822 3.960 0.038 0.000 0.194 835 G HA3 -0.161 3.822 3.960 0.038 0.000 0.194 835 G C -0.574 174.236 174.900 -0.149 0.000 0.999 835 G CA 0.006 44.935 45.100 -0.284 0.000 0.669 835 G HN 0.631 nan 8.290 nan 0.000 0.482 836 D N 0.513 120.843 120.400 -0.117 0.000 2.340 836 D HA 0.459 5.122 4.640 0.038 0.000 0.240 836 D C -1.226 175.049 176.300 -0.041 0.000 1.001 836 D CA -0.428 53.542 54.000 -0.049 0.000 0.888 836 D CB 1.785 42.579 40.800 -0.010 0.000 1.310 836 D HN 0.010 nan 8.370 nan 0.000 0.474 837 D N 1.836 122.228 120.400 -0.014 0.000 2.558 837 D HA 0.091 4.754 4.640 0.038 0.000 0.221 837 D C 1.077 177.384 176.300 0.012 0.000 1.143 837 D CA -0.205 53.793 54.000 -0.003 0.000 1.010 837 D CB -0.083 40.718 40.800 0.001 0.000 1.068 837 D HN 0.282 nan 8.370 nan 0.000 0.511 838 L N 2.050 123.283 121.223 0.016 0.000 2.740 838 L HA -0.051 4.312 4.340 0.038 0.000 0.242 838 L C 2.191 179.069 176.870 0.014 0.000 1.175 838 L CA 0.452 55.310 54.840 0.031 0.000 0.859 838 L CB -0.128 41.950 42.059 0.031 0.000 0.992 838 L HN 0.147 nan 8.230 nan 0.000 0.454 839 R N -0.641 119.858 120.500 -0.002 0.000 2.276 839 R HA -0.020 4.343 4.340 0.038 0.000 0.196 839 R C 1.757 178.025 176.300 -0.052 0.000 0.961 839 R CA 0.423 56.504 56.100 -0.032 0.000 1.024 839 R CB 0.143 30.426 30.300 -0.029 0.000 0.940 839 R HN 0.542 nan 8.270 nan 0.000 0.480 840 Q N -0.160 119.626 119.800 -0.024 0.000 2.376 840 Q HA -0.033 4.330 4.340 0.038 0.000 0.206 840 Q C 0.618 176.605 176.000 -0.023 0.000 0.921 840 Q CA 0.806 56.591 55.803 -0.030 0.000 0.911 840 Q CB 0.395 29.132 28.738 -0.001 0.000 1.032 840 Q HN 0.268 nan 8.270 nan 0.000 0.510 841 D N 0.913 121.326 120.400 0.021 0.000 2.137 841 D HA -0.081 4.582 4.640 0.038 0.000 0.202 841 D C 1.746 177.994 176.300 -0.086 0.000 0.970 841 D CA 1.002 55.030 54.000 0.047 0.000 0.837 841 D CB -0.010 40.889 40.800 0.166 0.000 0.981 841 D HN 0.104 nan 8.370 nan 0.000 0.475 842 M N 0.096 119.644 119.600 -0.087 0.000 2.065 842 M HA -0.143 4.359 4.480 0.038 0.000 0.259 842 M C 2.110 178.281 176.300 -0.215 0.000 1.069 842 M CA 1.293 56.505 55.300 -0.147 0.000 1.110 842 M CB -0.307 32.207 32.600 -0.145 0.000 1.328 842 M HN 0.048 nan 8.290 nan 0.000 0.405 843 L N -0.164 120.938 121.223 -0.201 0.000 2.017 843 L HA -0.235 4.128 4.340 0.038 0.000 0.208 843 L C 2.362 179.098 176.870 -0.222 0.000 1.073 843 L CA 1.345 56.058 54.840 -0.211 0.000 0.745 843 L CB -0.512 41.441 42.059 -0.176 0.000 0.894 843 L HN 0.327 nan 8.230 nan 0.000 0.432 844 I N -0.479 119.949 120.570 -0.237 0.000 2.394 844 I HA -0.295 3.898 4.170 0.038 0.000 0.251 844 I C 2.304 178.174 176.117 -0.411 0.000 1.136 844 I CA 1.096 62.200 61.300 -0.327 0.000 1.425 844 I CB -0.053 37.687 38.000 -0.433 0.000 1.079 844 I HN 0.246 nan 8.210 nan 0.000 0.425 845 L N -0.231 120.761 121.223 -0.386 0.000 2.217 845 L HA -0.184 4.178 4.340 0.038 0.000 0.211 845 L C 2.528 179.204 176.870 -0.323 0.000 1.107 845 L CA 0.797 55.407 54.840 -0.383 0.000 0.783 845 L CB -0.388 41.448 42.059 -0.372 0.000 0.919 845 L HN 0.250 nan 8.230 nan 0.000 0.442 846 Q N 0.800 120.423 119.800 -0.295 0.000 2.016 846 Q HA -0.146 4.216 4.340 0.038 0.000 0.200 846 Q C 2.157 177.984 176.000 -0.289 0.000 0.978 846 Q CA 1.653 57.281 55.803 -0.293 0.000 0.833 846 Q CB -0.132 28.442 28.738 -0.274 0.000 0.895 846 Q HN 0.393 nan 8.270 nan 0.000 0.427 847 I N 0.237 120.658 120.570 -0.248 0.000 2.194 847 I HA -0.326 3.867 4.170 0.038 0.000 0.246 847 I C 2.057 178.010 176.117 -0.274 0.000 1.093 847 I CA 1.145 62.313 61.300 -0.220 0.000 1.355 847 I CB -0.478 37.422 38.000 -0.167 0.000 1.046 847 I HN 0.292 nan 8.210 nan 0.000 0.413 848 L N 0.259 121.303 121.223 -0.298 0.000 2.042 848 L HA -0.213 4.150 4.340 0.038 0.000 0.210 848 L C 2.725 179.412 176.870 -0.304 0.000 1.076 848 L CA 1.480 56.133 54.840 -0.312 0.000 0.749 848 L CB -0.693 41.184 42.059 -0.304 0.000 0.893 848 L HN 0.284 nan 8.230 nan 0.000 0.432 849 R N -0.112 120.202 120.500 -0.310 0.000 2.189 849 R HA -0.038 4.324 4.340 0.038 0.000 0.218 849 R C 2.093 178.203 176.300 -0.317 0.000 1.074 849 R CA 0.921 56.830 56.100 -0.319 0.000 0.991 849 R CB -0.157 29.888 30.300 -0.424 0.000 0.883 849 R HN 0.441 nan 8.270 nan 0.000 0.457 850 I N 0.520 120.894 120.570 -0.326 0.000 2.406 850 I HA -0.197 3.996 4.170 0.038 0.000 0.249 850 I C 2.218 178.139 176.117 -0.328 0.000 1.122 850 I CA 1.206 62.351 61.300 -0.258 0.000 1.431 850 I CB -0.078 37.773 38.000 -0.249 0.000 1.087 850 I HN 0.124 nan 8.210 nan 0.000 0.424 851 M N -0.204 119.113 119.600 -0.472 0.000 2.334 851 M HA -0.111 4.392 4.480 0.038 0.000 0.266 851 M C 2.006 177.823 176.300 -0.803 0.000 1.082 851 M CA 1.126 55.913 55.300 -0.855 0.000 1.141 851 M CB -0.324 31.654 32.600 -1.036 0.000 1.380 851 M HN -0.008 nan 8.290 nan 0.000 0.440 852 E N 0.764 120.745 120.200 -0.364 0.000 2.409 852 E HA -0.126 4.246 4.350 0.038 0.000 0.198 852 E C 1.893 178.511 176.600 0.031 0.000 1.024 852 E CA 1.528 57.909 56.400 -0.031 0.000 0.861 852 E CB 0.095 29.767 29.700 -0.048 0.000 0.788 852 E HN 0.468 nan 8.360 nan 0.000 0.521 853 S N -1.230 114.438 115.700 -0.053 0.000 2.545 853 S HA 0.113 4.605 4.470 0.038 0.000 0.232 853 S C 1.963 176.517 174.600 -0.077 0.000 1.070 853 S CA 0.089 58.300 58.200 0.017 0.000 0.923 853 S CB -0.365 62.922 63.200 0.145 0.000 0.806 853 S HN 0.244 nan 8.310 nan 0.000 0.506 854 I N 0.836 121.260 120.570 -0.243 0.000 2.069 854 I HA -0.207 3.986 4.170 0.038 0.000 0.237 854 I C 2.473 178.531 176.117 -0.099 0.000 1.053 854 I CA 1.745 62.852 61.300 -0.321 0.000 1.311 854 I CB -0.590 37.039 38.000 -0.618 0.000 1.030 854 I HN 0.358 nan 8.210 nan 0.000 0.398 855 W N 1.271 122.525 121.300 -0.076 0.000 2.274 855 W HA -0.302 4.381 4.660 0.038 0.000 0.314 855 W C 2.541 179.069 176.519 0.014 0.000 1.254 855 W CA 1.857 59.181 57.345 -0.034 0.000 1.265 855 W CB -1.212 28.216 29.460 -0.053 0.000 1.141 855 W HN 0.367 nan 8.180 nan 0.000 0.505 856 E N -0.038 120.314 120.200 0.254 0.000 2.118 856 E HA -0.250 4.123 4.350 0.038 0.000 0.195 856 E C 2.171 178.817 176.600 0.077 0.000 0.992 856 E CA 2.725 59.231 56.400 0.178 0.000 0.804 856 E CB -0.198 29.582 29.700 0.134 0.000 0.741 856 E HN 0.259 nan 8.360 nan 0.000 0.458 857 T N -1.226 113.369 114.554 0.067 0.000 2.737 857 T HA -0.214 4.159 4.350 0.038 0.000 0.269 857 T C 1.212 175.953 174.700 0.068 0.000 1.040 857 T CA 1.686 63.818 62.100 0.053 0.000 1.142 857 T CB -0.308 68.608 68.868 0.080 0.000 0.861 857 T HN 0.238 nan 8.240 nan 0.000 0.456 858 E N 0.839 121.107 120.200 0.113 0.000 2.423 858 E HA 0.368 4.741 4.350 0.038 0.000 0.198 858 E C 0.420 177.067 176.600 0.079 0.000 1.038 858 E CA -0.134 56.331 56.400 0.108 0.000 1.011 858 E CB 0.091 29.891 29.700 0.166 0.000 1.118 858 E HN 0.369 nan 8.360 nan 0.000 0.451 859 S N 0.322 116.049 115.700 0.045 0.000 3.123 859 S HA -0.229 4.264 4.470 0.038 0.000 0.330 859 S C 0.475 175.141 174.600 0.111 0.000 1.248 859 S CA 0.675 58.871 58.200 -0.006 0.000 1.000 859 S CB -0.896 62.271 63.200 -0.055 0.000 1.049 859 S HN 0.380 nan 8.310 nan 0.000 0.658 860 L N 1.733 123.031 121.223 0.124 0.000 2.464 860 L HA 0.684 5.047 4.340 0.038 0.000 0.224 860 L C 0.250 177.154 176.870 0.056 0.000 1.219 860 L CA 0.621 55.478 54.840 0.029 0.000 0.831 860 L CB 0.490 42.507 42.059 -0.071 0.000 1.284 860 L HN 0.296 nan 8.230 nan 0.000 0.522 861 D N 0.466 120.722 120.400 -0.240 0.000 2.747 861 D HA 0.162 4.825 4.640 0.038 0.000 0.218 861 D C -1.084 174.912 176.300 -0.506 0.000 1.230 861 D CA -0.367 53.435 54.000 -0.329 0.000 0.774 861 D CB 0.942 41.444 40.800 -0.496 0.000 1.667 861 D HN 0.414 nan 8.370 nan 0.000 0.499 862 L N 2.168 123.143 121.223 -0.412 0.000 3.135 862 L HA 0.216 4.579 4.340 0.038 0.000 0.279 862 L C 0.713 177.504 176.870 -0.132 0.000 1.200 862 L CA -0.001 54.623 54.840 -0.360 0.000 1.016 862 L CB -0.929 40.740 42.059 -0.649 0.000 1.391 862 L HN 0.679 nan 8.230 nan 0.000 0.588 863 C N 1.516 120.747 119.300 -0.114 0.000 4.028 863 C HA -0.199 4.284 4.460 0.038 0.000 0.300 863 C C 1.403 176.427 174.990 0.058 0.000 1.399 863 C CA -0.007 58.997 59.018 -0.023 0.000 2.051 863 C CB -2.759 25.006 27.740 0.042 0.000 1.318 863 C HN 0.304 nan 8.230 nan 0.000 0.696 864 L N -0.302 120.932 121.223 0.018 0.000 2.472 864 L HA 0.362 4.725 4.340 0.038 0.000 0.260 864 L C 0.489 177.439 176.870 0.134 0.000 1.209 864 L CA -0.194 54.660 54.840 0.025 0.000 0.817 864 L CB 0.204 42.152 42.059 -0.185 0.000 1.106 864 L HN 0.143 nan 8.230 nan 0.000 0.479 865 L N 3.159 124.556 121.223 0.290 0.000 2.488 865 L HA 0.401 4.764 4.340 0.038 0.000 0.250 865 L C -2.341 174.581 176.870 0.087 0.000 1.280 865 L CA -1.327 53.576 54.840 0.105 0.000 0.929 865 L CB 0.768 42.764 42.059 -0.105 0.000 1.200 865 L HN 0.237 nan 8.230 nan 0.000 0.495 866 P HA 0.263 nan 4.420 nan 0.000 0.274 866 P C -1.069 176.087 177.300 -0.240 0.000 1.504 866 P CA -0.229 62.755 63.100 -0.193 0.000 1.011 866 P CB -0.101 31.481 31.700 -0.196 0.000 1.366 867 Y N 0.650 120.906 120.300 -0.074 0.000 2.357 867 Y HA 0.525 5.098 4.550 0.038 0.000 0.340 867 Y C 1.145 176.940 175.900 -0.175 0.000 1.260 867 Y CA -1.304 56.708 58.100 -0.148 0.000 1.425 867 Y CB -0.237 38.121 38.460 -0.170 0.000 1.326 867 Y HN 0.328 nan 8.280 nan 0.000 0.580 868 G N 0.009 108.698 108.800 -0.184 0.000 2.380 868 G HA2 0.284 4.267 3.960 0.038 0.000 0.242 868 G HA3 0.284 4.267 3.960 0.038 0.000 0.242 868 G C -1.209 173.562 174.900 -0.215 0.000 1.298 868 G CA -0.310 44.612 45.100 -0.297 0.000 0.878 868 G HN 1.018 nan 8.290 nan 0.000 0.542 869 C N 5.313 124.571 119.300 -0.070 0.000 2.781 869 C HA 0.523 5.005 4.460 0.038 0.000 0.348 869 C C -0.901 174.109 174.990 0.033 0.000 1.051 869 C CA -1.068 57.945 59.018 -0.008 0.000 1.347 869 C CB -0.477 27.280 27.740 0.029 0.000 1.846 869 C HN 0.564 nan 8.230 nan 0.000 0.473 870 I N 5.135 125.714 120.570 0.015 0.000 2.382 870 I HA 0.315 4.507 4.170 0.038 0.000 0.286 870 I C 0.910 177.033 176.117 0.010 0.000 1.002 870 I CA 0.301 61.624 61.300 0.038 0.000 1.135 870 I CB 1.256 39.219 38.000 -0.061 0.000 1.288 870 I HN 0.715 nan 8.210 nan 0.000 0.448 871 S N 4.133 119.871 115.700 0.063 0.000 2.598 871 S HA 0.285 4.778 4.470 0.038 0.000 0.256 871 S C 1.133 175.800 174.600 0.112 0.000 1.350 871 S CA 0.892 59.131 58.200 0.066 0.000 0.984 871 S CB 0.537 63.776 63.200 0.064 0.000 0.930 871 S HN 0.828 nan 8.310 nan 0.000 0.577 872 T N -1.314 113.317 114.554 0.129 0.000 3.151 872 T HA 0.489 4.862 4.350 0.038 0.000 0.257 872 T C 0.504 175.307 174.700 0.172 0.000 0.872 872 T CA 0.260 62.478 62.100 0.196 0.000 0.873 872 T CB -0.035 68.956 68.868 0.204 0.000 1.272 872 T HN 1.071 nan 8.240 nan 0.000 0.543 873 G N 0.671 109.553 108.800 0.136 0.000 2.494 873 G HA2 0.467 4.449 3.960 0.038 0.000 0.308 873 G HA3 0.467 4.449 3.960 0.038 0.000 0.308 873 G C -2.116 172.845 174.900 0.102 0.000 1.263 873 G CA -0.492 44.681 45.100 0.122 0.000 0.840 873 G HN 0.113 nan 8.290 nan 0.000 0.479 874 D N 1.042 121.505 120.400 0.105 0.000 2.458 874 D HA 0.422 5.085 4.640 0.038 0.000 0.243 874 D C 1.071 177.407 176.300 0.059 0.000 1.146 874 D CA 1.268 55.320 54.000 0.087 0.000 0.877 874 D CB 0.755 41.617 40.800 0.103 0.000 1.176 874 D HN 1.324 nan 8.370 nan 0.000 0.461 875 K N 2.400 122.796 120.400 -0.007 0.000 3.264 875 K HA -0.183 4.160 4.320 0.038 0.000 0.267 875 K C 0.143 176.638 176.600 -0.174 0.000 0.886 875 K CA 1.625 57.835 56.287 -0.129 0.000 0.665 875 K CB -2.032 30.318 32.500 -0.250 0.000 1.447 875 K HN 0.596 nan 8.250 nan 0.000 0.464 876 I N -2.462 118.105 120.570 -0.005 0.000 2.947 876 I HA 0.707 4.900 4.170 0.038 0.000 0.301 876 I C 0.248 176.421 176.117 0.092 0.000 1.453 876 I CA 0.050 61.398 61.300 0.080 0.000 0.984 876 I CB 2.235 40.365 38.000 0.216 0.000 1.333 876 I HN 0.887 nan 8.210 nan 0.000 0.475 877 G N 4.773 113.630 108.800 0.095 0.000 2.313 877 G HA2 0.386 4.369 3.960 0.038 0.000 0.296 877 G HA3 0.386 4.369 3.960 0.038 0.000 0.296 877 G C -1.713 173.099 174.900 -0.148 0.000 1.356 877 G CA -0.667 44.443 45.100 0.015 0.000 0.833 877 G HN 0.744 nan 8.290 nan 0.000 0.552 878 M N -0.515 118.904 119.600 -0.302 0.000 2.537 878 M HA 0.887 5.389 4.480 0.038 0.000 0.324 878 M C -0.783 175.366 176.300 -0.253 0.000 1.187 878 M CA -0.767 54.219 55.300 -0.523 0.000 0.993 878 M CB 2.031 34.182 32.600 -0.748 0.000 1.666 878 M HN 0.373 nan 8.290 nan 0.000 0.461 879 I N 0.761 121.182 120.570 -0.247 0.000 2.647 879 I HA 0.336 4.529 4.170 0.038 0.000 0.295 879 I C -0.509 175.436 176.117 -0.287 0.000 1.078 879 I CA -0.698 60.492 61.300 -0.183 0.000 1.048 879 I CB 2.498 40.432 38.000 -0.111 0.000 1.239 879 I HN 0.849 nan 8.210 nan 0.000 0.421 880 E N 5.758 125.699 120.200 -0.433 0.000 2.338 880 E HA 0.317 4.690 4.350 0.038 0.000 0.272 880 E C -0.996 175.439 176.600 -0.275 0.000 1.029 880 E CA -0.426 55.666 56.400 -0.514 0.000 0.872 880 E CB 1.041 30.310 29.700 -0.718 0.000 1.015 880 E HN 0.426 nan 8.360 nan 0.000 0.417 881 I N 5.045 125.490 120.570 -0.207 0.000 2.301 881 I HA 0.074 4.267 4.170 0.038 0.000 0.292 881 I C -0.506 175.560 176.117 -0.085 0.000 1.046 881 I CA -0.685 60.465 61.300 -0.250 0.000 1.282 881 I CB 1.290 39.014 38.000 -0.459 0.000 1.409 881 I HN 0.356 nan 8.210 nan 0.000 0.484 882 V N 8.048 127.945 119.914 -0.028 0.000 2.387 882 V HA 0.096 4.239 4.120 0.038 0.000 0.260 882 V C 0.666 176.855 176.094 0.158 0.000 1.054 882 V CA -0.787 61.538 62.300 0.041 0.000 0.967 882 V CB 0.207 32.007 31.823 -0.039 0.000 1.036 882 V HN 0.562 nan 8.190 nan 0.000 0.481 883 K N 3.125 123.613 120.400 0.148 0.000 2.561 883 K HA 0.038 4.381 4.320 0.038 0.000 0.280 883 K C 1.039 177.779 176.600 0.234 0.000 0.975 883 K CA 1.351 57.753 56.287 0.192 0.000 1.024 883 K CB -0.339 32.256 32.500 0.160 0.000 0.883 883 K HN 1.091 nan 8.250 nan 0.000 0.496 884 D N -0.380 120.172 120.400 0.253 0.000 2.701 884 D HA -0.167 4.496 4.640 0.038 0.000 0.235 884 D C 0.156 176.653 176.300 0.329 0.000 1.155 884 D CA 1.248 55.407 54.000 0.265 0.000 0.649 884 D CB -1.265 39.665 40.800 0.217 0.000 1.050 884 D HN 0.781 nan 8.370 nan 0.000 0.425 885 A N -0.786 122.235 122.820 0.335 0.000 2.322 885 A HA 1.005 5.348 4.320 0.038 0.000 0.327 885 A C 0.538 178.243 177.584 0.202 0.000 1.134 885 A CA 0.376 52.602 52.037 0.315 0.000 0.831 885 A CB 1.877 21.126 19.000 0.415 0.000 1.288 885 A HN 0.919 nan 8.150 nan 0.000 0.472 886 T N 0.595 115.165 114.554 0.028 0.000 2.923 886 T HA 0.561 4.934 4.350 0.038 0.000 0.311 886 T C -0.133 174.439 174.700 -0.213 0.000 1.183 886 T CA -0.134 61.919 62.100 -0.077 0.000 1.020 886 T CB 1.438 70.218 68.868 -0.146 0.000 1.165 886 T HN 1.059 nan 8.240 nan 0.000 0.482 887 T N -0.006 114.446 114.554 -0.170 0.000 2.907 887 T HA 0.286 4.659 4.350 0.038 0.000 0.298 887 T C 1.478 176.063 174.700 -0.192 0.000 1.017 887 T CA -0.612 61.373 62.100 -0.191 0.000 1.118 887 T CB 0.345 69.134 68.868 -0.132 0.000 0.948 887 T HN 0.413 nan 8.240 nan 0.000 0.531 888 I N 2.834 123.306 120.570 -0.164 0.000 2.229 888 I HA -0.176 4.017 4.170 0.038 0.000 0.250 888 I C 2.401 178.522 176.117 0.006 0.000 1.096 888 I CA 2.131 63.390 61.300 -0.067 0.000 1.358 888 I CB -1.011 37.018 38.000 0.047 0.000 1.047 888 I HN 0.932 nan 8.210 nan 0.000 0.422 889 A N -0.238 122.594 122.820 0.020 0.000 1.855 889 A HA -0.172 4.170 4.320 0.038 0.000 0.213 889 A C 2.351 179.903 177.584 -0.053 0.000 1.195 889 A CA 1.420 53.479 52.037 0.037 0.000 0.610 889 A CB -0.750 18.269 19.000 0.031 0.000 0.837 889 A HN 0.326 nan 8.150 nan 0.000 0.444 890 K N 0.252 120.607 120.400 -0.075 0.000 2.207 890 K HA -0.207 4.135 4.320 0.038 0.000 0.208 890 K C 1.710 178.270 176.600 -0.067 0.000 1.046 890 K CA 1.853 58.096 56.287 -0.072 0.000 0.929 890 K CB -0.501 31.956 32.500 -0.071 0.000 0.720 890 K HN 0.609 nan 8.250 nan 0.000 0.463 891 I N 0.427 120.927 120.570 -0.116 0.000 2.193 891 I HA -0.230 3.963 4.170 0.038 0.000 0.240 891 I C 1.610 177.711 176.117 -0.028 0.000 1.084 891 I CA 1.091 62.321 61.300 -0.118 0.000 1.365 891 I CB -0.172 37.626 38.000 -0.336 0.000 1.064 891 I HN 0.178 nan 8.210 nan 0.000 0.410 892 Q N 0.654 120.438 119.800 -0.025 0.000 2.239 892 Q HA 0.020 4.382 4.340 0.038 0.000 0.219 892 Q C 1.486 177.384 176.000 -0.170 0.000 0.901 892 Q CA 0.316 56.092 55.803 -0.046 0.000 0.949 892 Q CB 0.269 29.054 28.738 0.078 0.000 1.038 892 Q HN 0.613 nan 8.270 nan 0.000 0.458 893 Q N -0.431 119.298 119.800 -0.117 0.000 2.422 893 Q HA 0.083 4.446 4.340 0.038 0.000 0.255 893 Q C 1.983 177.932 176.000 -0.084 0.000 0.864 893 Q CA 0.627 56.351 55.803 -0.132 0.000 0.968 893 Q CB -0.018 28.654 28.738 -0.111 0.000 1.130 893 Q HN 0.276 nan 8.270 nan 0.000 0.556 894 S N 0.896 116.570 115.700 -0.043 0.000 2.383 894 S HA -0.143 4.350 4.470 0.038 0.000 0.229 894 S C 2.092 176.675 174.600 -0.029 0.000 1.030 894 S CA 1.823 60.011 58.200 -0.019 0.000 1.002 894 S CB -0.155 63.058 63.200 0.021 0.000 0.829 894 S HN 0.762 nan 8.310 nan 0.000 0.467 895 T N 1.427 115.960 114.554 -0.035 0.000 2.814 895 T HA 0.130 4.503 4.350 0.038 0.000 0.254 895 T C 1.421 176.076 174.700 -0.075 0.000 1.037 895 T CA 0.891 62.965 62.100 -0.043 0.000 1.143 895 T CB -0.044 68.803 68.868 -0.034 0.000 0.866 895 T HN 0.148 nan 8.240 nan 0.000 0.431 896 V N -0.490 119.355 119.914 -0.115 0.000 6.922 896 V HA 0.767 4.909 4.120 0.038 0.000 0.263 896 V C 1.174 177.169 176.094 -0.165 0.000 1.682 896 V CA -0.049 62.160 62.300 -0.152 0.000 0.590 896 V CB -0.446 31.244 31.823 -0.222 0.000 1.604 896 V HN 0.702 nan 8.190 nan 0.000 0.353 897 G N -0.328 108.331 108.800 -0.235 0.000 2.757 897 G HA2 -0.015 3.967 3.960 0.038 0.000 0.638 897 G HA3 -0.015 3.967 3.960 0.038 0.000 0.638 897 G C -0.201 174.625 174.900 -0.122 0.000 1.344 897 G CA 0.489 45.468 45.100 -0.203 0.000 0.855 897 G HN 1.290 nan 8.290 nan 0.000 0.537 898 N N -2.542 116.104 118.700 -0.089 0.000 3.269 898 N HA -0.251 4.512 4.740 0.038 0.000 0.207 898 N C 1.469 176.979 175.510 -0.000 0.000 0.452 898 N CA 3.168 56.192 53.050 -0.043 0.000 2.006 898 N CB -1.444 37.021 38.487 -0.038 0.000 1.501 898 N HN 1.306 nan 8.380 nan 0.000 0.369 899 T N -0.302 114.257 114.554 0.009 0.000 3.010 899 T HA 0.380 4.752 4.350 0.038 0.000 0.257 899 T C 0.723 175.446 174.700 0.039 0.000 1.020 899 T CA 0.378 62.514 62.100 0.060 0.000 0.938 899 T CB 0.360 69.258 68.868 0.050 0.000 1.049 899 T HN 0.631 nan 8.240 nan 0.000 0.522 900 G N 0.790 109.571 108.800 -0.031 0.000 2.415 900 G HA2 0.581 4.564 3.960 0.038 0.000 0.269 900 G HA3 0.581 4.564 3.960 0.038 0.000 0.269 900 G C 0.675 175.502 174.900 -0.123 0.000 1.209 900 G CA -0.073 44.982 45.100 -0.075 0.000 0.835 900 G HN 0.309 nan 8.290 nan 0.000 0.534 901 A N 2.034 124.792 122.820 -0.102 0.000 3.289 901 A HA 0.690 5.033 4.320 0.038 0.000 0.157 901 A C -0.047 177.312 177.584 -0.375 0.000 1.293 901 A CA 0.638 52.638 52.037 -0.062 0.000 0.896 901 A CB -0.241 18.740 19.000 -0.032 0.000 0.998 901 A HN 0.554 nan 8.150 nan 0.000 0.519 902 F N -2.623 117.049 119.950 -0.464 0.000 2.664 902 F HA 0.643 5.193 4.527 0.038 0.000 0.329 902 F C 0.473 176.021 175.800 -0.420 0.000 1.090 902 F CA -0.058 57.653 58.000 -0.482 0.000 0.978 902 F CB 1.310 39.818 39.000 -0.822 0.000 1.378 902 F HN 0.533 nan 8.300 nan 0.000 0.495 903 K N -0.182 120.178 120.400 -0.066 0.000 2.292 903 K HA 0.461 4.804 4.320 0.038 0.000 0.257 903 K C -0.105 176.460 176.600 -0.059 0.000 0.940 903 K CA -0.537 55.695 56.287 -0.093 0.000 0.811 903 K CB 1.038 33.490 32.500 -0.080 0.000 1.120 903 K HN 0.731 nan 8.250 nan 0.000 0.428 904 D N 1.538 121.860 120.400 -0.130 0.000 2.092 904 D HA -0.105 4.558 4.640 0.038 0.000 0.193 904 D C 1.841 177.778 176.300 -0.605 0.000 0.994 904 D CA 2.709 56.581 54.000 -0.212 0.000 0.828 904 D CB 0.456 41.114 40.800 -0.238 0.000 0.963 904 D HN 0.791 nan 8.370 nan 0.000 0.450 905 E N -0.466 119.291 120.200 -0.737 0.000 2.403 905 E HA 0.413 4.786 4.350 0.038 0.000 0.188 905 E C 1.706 178.192 176.600 -0.191 0.000 1.056 905 E CA 0.698 56.575 56.400 -0.872 0.000 0.892 905 E CB -1.099 28.244 29.700 -0.594 0.000 1.049 905 E HN 0.408 nan 8.360 nan 0.000 0.465 906 V N 0.002 119.864 119.914 -0.088 0.000 2.244 906 V HA -0.014 4.129 4.120 0.038 0.000 0.244 906 V C 2.592 178.781 176.094 0.158 0.000 1.042 906 V CA 2.065 64.394 62.300 0.049 0.000 1.006 906 V CB -0.465 31.389 31.823 0.051 0.000 0.641 906 V HN 0.474 nan 8.190 nan 0.000 0.446 907 L N 0.835 122.159 121.223 0.170 0.000 2.081 907 L HA -0.234 4.129 4.340 0.038 0.000 0.212 907 L C 2.287 179.337 176.870 0.300 0.000 1.080 907 L CA 2.648 57.624 54.840 0.226 0.000 0.754 907 L CB -0.930 41.248 42.059 0.197 0.000 0.893 907 L HN 0.633 nan 8.230 nan 0.000 0.433 908 N N -0.874 118.031 118.700 0.342 0.000 2.244 908 N HA -0.208 4.555 4.740 0.038 0.000 0.183 908 N C 2.001 177.720 175.510 0.348 0.000 1.016 908 N CA 1.569 54.852 53.050 0.389 0.000 0.866 908 N CB -0.042 38.794 38.487 0.582 0.000 0.980 908 N HN 0.757 nan 8.380 nan 0.000 0.430 909 H N -1.790 117.446 119.070 0.277 0.000 2.428 909 H HA -0.087 4.492 4.556 0.038 0.000 0.296 909 H C 1.817 177.261 175.328 0.193 0.000 1.062 909 H CA 1.452 57.605 56.048 0.176 0.000 1.350 909 H CB -1.225 28.614 29.762 0.128 0.000 1.403 909 H HN 0.477 nan 8.280 nan 0.000 0.533 910 W N 0.515 121.873 121.300 0.097 0.000 2.421 910 W HA -0.026 4.657 4.660 0.038 0.000 0.270 910 W C 1.390 177.976 176.519 0.111 0.000 1.233 910 W CA 1.550 58.947 57.345 0.086 0.000 1.226 910 W CB -0.050 29.457 29.460 0.079 0.000 1.121 910 W HN 0.355 nan 8.180 nan 0.000 0.579 911 L N 0.472 121.890 121.223 0.324 0.000 2.130 911 L HA -0.025 4.338 4.340 0.038 0.000 0.200 911 L C 2.418 179.459 176.870 0.286 0.000 1.075 911 L CA 1.671 56.672 54.840 0.269 0.000 0.768 911 L CB -1.664 40.597 42.059 0.336 0.000 0.933 911 L HN -0.250 nan 8.230 nan 0.000 0.451 912 K N 0.061 120.677 120.400 0.362 0.000 2.097 912 K HA -0.193 4.149 4.320 0.038 0.000 0.206 912 K C 2.121 178.694 176.600 -0.045 0.000 1.049 912 K CA 1.377 57.675 56.287 0.018 0.000 0.933 912 K CB -0.235 31.937 32.500 -0.548 0.000 0.717 912 K HN 0.238 nan 8.250 nan 0.000 0.442 913 E N 0.588 120.743 120.200 -0.074 0.000 2.047 913 E HA -0.139 4.234 4.350 0.038 0.000 0.191 913 E C 0.473 176.965 176.600 -0.180 0.000 0.987 913 E CA 1.037 57.365 56.400 -0.120 0.000 0.799 913 E CB 0.077 29.706 29.700 -0.119 0.000 0.752 913 E HN 0.013 nan 8.360 nan 0.000 0.449 914 K N 1.528 121.735 120.400 -0.323 0.000 2.968 914 K HA 0.067 4.410 4.320 0.038 0.000 0.249 914 K C -0.438 176.027 176.600 -0.225 0.000 1.062 914 K CA 0.116 56.149 56.287 -0.422 0.000 1.215 914 K CB -0.331 31.567 32.500 -1.003 0.000 1.097 914 K HN 0.121 nan 8.250 nan 0.000 0.462 915 S N -0.749 114.897 115.700 -0.091 0.000 2.550 915 S HA 0.362 4.854 4.470 0.038 0.000 0.274 915 S C -3.123 171.489 174.600 0.020 0.000 1.110 915 S CA -1.465 56.730 58.200 -0.007 0.000 1.013 915 S CB 1.986 65.225 63.200 0.064 0.000 1.152 915 S HN -0.142 nan 8.310 nan 0.000 0.450 916 P HA 0.383 nan 4.420 nan 0.000 0.269 916 P C 0.539 177.858 177.300 0.033 0.000 1.209 916 P CA 1.143 64.250 63.100 0.011 0.000 0.776 916 P CB 0.473 32.177 31.700 0.007 0.000 0.876 917 T N -0.334 114.236 114.554 0.026 0.000 0.541 917 T HA -0.224 4.149 4.350 0.038 0.000 0.774 917 T C 0.747 175.487 174.700 0.067 0.000 0.992 917 T CA 0.825 62.948 62.100 0.037 0.000 4.077 917 T CB -0.799 68.092 68.868 0.038 0.000 2.303 917 T HN 0.494 nan 8.240 nan 0.000 0.398 918 E N 0.301 120.543 120.200 0.071 0.000 2.415 918 E HA 0.189 4.562 4.350 0.038 0.000 0.197 918 E C 1.732 178.411 176.600 0.132 0.000 1.007 918 E CA 1.104 57.574 56.400 0.116 0.000 0.890 918 E CB -0.030 29.718 29.700 0.080 0.000 0.891 918 E HN 0.697 nan 8.360 nan 0.000 0.496 919 E N 0.571 120.824 120.200 0.087 0.000 2.418 919 E HA -0.071 4.302 4.350 0.038 0.000 0.197 919 E C 1.075 177.718 176.600 0.070 0.000 1.026 919 E CA 1.018 57.461 56.400 0.072 0.000 0.862 919 E CB 0.119 29.850 29.700 0.051 0.000 0.799 919 E HN 0.154 nan 8.360 nan 0.000 0.518 920 K N -1.363 119.089 120.400 0.087 0.000 2.365 920 K HA 0.082 4.425 4.320 0.038 0.000 0.195 920 K C 1.592 178.243 176.600 0.084 0.000 1.079 920 K CA 0.278 56.609 56.287 0.073 0.000 0.979 920 K CB -0.033 32.506 32.500 0.065 0.000 0.929 920 K HN 0.092 nan 8.250 nan 0.000 0.523 921 F N 2.710 122.666 119.950 0.010 0.000 2.113 921 F HA -0.147 4.403 4.527 0.038 0.000 0.297 921 F C 2.277 178.083 175.800 0.011 0.000 1.103 921 F CA 1.496 59.499 58.000 0.005 0.000 1.248 921 F CB 0.081 39.080 39.000 -0.003 0.000 0.999 921 F HN -0.096 nan 8.300 nan 0.000 0.475 922 Q N 0.733 120.462 119.800 -0.118 0.000 2.124 922 Q HA -0.105 4.258 4.340 0.038 0.000 0.202 922 Q C 2.485 178.365 176.000 -0.199 0.000 0.977 922 Q CA 1.430 57.106 55.803 -0.212 0.000 0.850 922 Q CB -1.047 27.717 28.738 0.044 0.000 0.901 922 Q HN 0.550 nan 8.270 nan 0.000 0.429 923 A N 1.061 123.828 122.820 -0.088 0.000 1.865 923 A HA -0.155 4.188 4.320 0.038 0.000 0.217 923 A C 2.276 179.814 177.584 -0.077 0.000 1.191 923 A CA 2.182 54.196 52.037 -0.039 0.000 0.623 923 A CB -0.905 18.101 19.000 0.009 0.000 0.826 923 A HN 0.375 nan 8.150 nan 0.000 0.444 924 A N -1.008 121.741 122.820 -0.120 0.000 2.194 924 A HA 0.061 4.404 4.320 0.038 0.000 0.220 924 A C 1.901 179.393 177.584 -0.154 0.000 1.162 924 A CA 1.913 53.892 52.037 -0.096 0.000 0.674 924 A CB -0.517 18.425 19.000 -0.097 0.000 0.789 924 A HN 0.525 nan 8.150 nan 0.000 0.470 925 V N -1.260 118.465 119.914 -0.316 0.000 3.379 925 V HA -0.020 4.123 4.120 0.038 0.000 0.249 925 V C 2.202 178.173 176.094 -0.204 0.000 1.184 925 V CA 1.279 63.396 62.300 -0.306 0.000 1.106 925 V CB 0.103 31.591 31.823 -0.558 0.000 0.826 925 V HN 0.644 nan 8.190 nan 0.000 0.465 926 E N 2.170 122.240 120.200 -0.216 0.000 2.015 926 E HA -0.241 4.132 4.350 0.038 0.000 0.191 926 E C 2.207 178.673 176.600 -0.223 0.000 0.991 926 E CA 1.709 57.981 56.400 -0.213 0.000 0.802 926 E CB -0.360 29.313 29.700 -0.045 0.000 0.759 926 E HN 0.432 nan 8.360 nan 0.000 0.447 927 R N -1.084 119.410 120.500 -0.009 0.000 2.346 927 R HA -0.006 4.357 4.340 0.038 0.000 0.199 927 R C 1.184 177.538 176.300 0.090 0.000 1.015 927 R CA 0.437 56.602 56.100 0.108 0.000 1.058 927 R CB -0.379 30.001 30.300 0.133 0.000 0.921 927 R HN 0.319 nan 8.270 nan 0.000 0.475 928 F N -1.204 118.681 119.950 -0.110 0.000 2.678 928 F HA 0.068 4.618 4.527 0.038 0.000 0.291 928 F C 1.206 176.957 175.800 -0.082 0.000 1.123 928 F CA 0.247 58.204 58.000 -0.071 0.000 1.395 928 F CB 0.440 39.386 39.000 -0.091 0.000 1.121 928 F HN -0.177 nan 8.300 nan 0.000 0.592 929 V N -0.364 119.419 119.914 -0.218 0.000 2.446 929 V HA -0.208 3.935 4.120 0.038 0.000 0.244 929 V C 1.994 177.987 176.094 -0.168 0.000 1.039 929 V CA 1.480 63.668 62.300 -0.187 0.000 1.045 929 V CB -1.261 30.446 31.823 -0.193 0.000 0.681 929 V HN 0.253 nan 8.190 nan 0.000 0.459 930 Y N 2.245 122.499 120.300 -0.077 0.000 2.145 930 Y HA -0.215 4.358 4.550 0.038 0.000 0.286 930 Y C 3.052 178.847 175.900 -0.175 0.000 1.145 930 Y CA 1.329 59.338 58.100 -0.152 0.000 1.148 930 Y CB -1.384 36.992 38.460 -0.141 0.000 0.981 930 Y HN 0.412 nan 8.280 nan 0.000 0.507 931 S N -1.381 114.328 115.700 0.015 0.000 2.382 931 S HA -0.244 4.249 4.470 0.038 0.000 0.228 931 S C 2.242 176.825 174.600 -0.027 0.000 1.027 931 S CA 1.046 59.264 58.200 0.030 0.000 0.991 931 S CB -1.411 61.826 63.200 0.062 0.000 0.823 931 S HN 0.600 nan 8.310 nan 0.000 0.469 932 C N 2.145 121.289 119.300 -0.261 0.000 2.446 932 C HA 0.198 4.681 4.460 0.038 0.000 0.277 932 C C 3.117 178.109 174.990 0.004 0.000 1.275 932 C CA 0.840 59.711 59.018 -0.244 0.000 1.727 932 C CB -1.721 25.774 27.740 -0.409 0.000 2.010 932 C HN 0.685 nan 8.230 nan 0.000 0.486 933 A N 0.779 123.569 122.820 -0.050 0.000 1.851 933 A HA 0.065 4.408 4.320 0.038 0.000 0.216 933 A C 2.534 179.981 177.584 -0.229 0.000 1.195 933 A CA 2.360 54.238 52.037 -0.266 0.000 0.622 933 A CB -1.733 17.037 19.000 -0.382 0.000 0.831 933 A HN 0.725 nan 8.150 nan 0.000 0.444 934 G N -1.556 107.111 108.800 -0.220 0.000 2.529 934 G HA2 -0.302 3.680 3.960 0.038 0.000 0.219 934 G HA3 -0.302 3.680 3.960 0.038 0.000 0.219 934 G C 1.437 176.252 174.900 -0.142 0.000 1.177 934 G CA 1.415 46.376 45.100 -0.232 0.000 0.773 934 G HN 0.586 nan 8.290 nan 0.000 0.573 935 Y N -0.271 119.991 120.300 -0.064 0.000 2.561 935 Y HA 0.027 4.599 4.550 0.038 0.000 0.291 935 Y C 2.867 178.672 175.900 -0.158 0.000 1.141 935 Y CA 0.196 58.217 58.100 -0.132 0.000 1.303 935 Y CB -0.016 38.318 38.460 -0.209 0.000 1.015 935 Y HN 0.234 nan 8.280 nan 0.000 0.547 936 C N -1.717 117.535 119.300 -0.080 0.000 2.505 936 C HA -0.053 4.430 4.460 0.038 0.000 0.279 936 C C 2.627 177.407 174.990 -0.351 0.000 1.316 936 C CA 0.484 59.235 59.018 -0.445 0.000 1.720 936 C CB -0.858 26.443 27.740 -0.731 0.000 2.050 936 C HN 0.316 nan 8.230 nan 0.000 0.493 937 V N 1.828 121.640 119.914 -0.169 0.000 2.261 937 V HA -0.188 3.955 4.120 0.038 0.000 0.246 937 V C 2.763 178.906 176.094 0.082 0.000 1.047 937 V CA 2.304 64.562 62.300 -0.070 0.000 1.015 937 V CB -1.499 30.304 31.823 -0.034 0.000 0.642 937 V HN 0.562 nan 8.190 nan 0.000 0.446 938 A N 1.190 124.051 122.820 0.069 0.000 1.859 938 A HA -0.313 4.029 4.320 0.038 0.000 0.217 938 A C 2.537 180.148 177.584 0.044 0.000 1.198 938 A CA 3.425 55.468 52.037 0.010 0.000 0.629 938 A CB -1.399 17.548 19.000 -0.088 0.000 0.830 938 A HN 0.662 nan 8.150 nan 0.000 0.446 939 T N -3.104 111.502 114.554 0.087 0.000 2.788 939 T HA -0.188 4.185 4.350 0.038 0.000 0.268 939 T C 1.713 176.590 174.700 0.294 0.000 1.044 939 T CA 1.625 63.839 62.100 0.190 0.000 1.139 939 T CB -0.558 68.458 68.868 0.246 0.000 0.867 939 T HN 0.377 nan 8.240 nan 0.000 0.454 940 F N 2.747 122.811 119.950 0.189 0.000 2.069 940 F HA -0.066 4.484 4.527 0.038 0.000 0.298 940 F C 2.240 178.217 175.800 0.295 0.000 1.113 940 F CA 0.763 58.951 58.000 0.314 0.000 1.214 940 F CB -0.942 38.268 39.000 0.350 0.000 0.978 940 F HN 0.048 nan 8.300 nan 0.000 0.474 941 V N 0.957 120.808 119.914 -0.105 0.000 2.295 941 V HA -0.293 3.850 4.120 0.038 0.000 0.246 941 V C 2.516 178.583 176.094 -0.045 0.000 1.049 941 V CA 1.951 64.121 62.300 -0.217 0.000 1.024 941 V CB -0.869 30.895 31.823 -0.097 0.000 0.648 941 V HN 0.369 nan 8.190 nan 0.000 0.447 942 L N 0.715 121.966 121.223 0.046 0.000 2.633 942 L HA 0.099 4.462 4.340 0.038 0.000 0.235 942 L C 1.775 178.738 176.870 0.156 0.000 1.163 942 L CA 0.870 55.783 54.840 0.122 0.000 0.859 942 L CB -0.975 41.140 42.059 0.094 0.000 0.973 942 L HN 0.614 nan 8.230 nan 0.000 0.451 943 G N 1.516 110.403 108.800 0.144 0.000 2.203 943 G HA2 -0.310 3.672 3.960 0.038 0.000 0.263 943 G HA3 -0.310 3.672 3.960 0.038 0.000 0.263 943 G C 0.540 175.408 174.900 -0.052 0.000 1.012 943 G CA 0.614 45.578 45.100 -0.226 0.000 0.749 943 G HN 0.628 nan 8.290 nan 0.000 0.512 944 I N -3.589 117.070 120.570 0.148 0.000 3.061 944 I HA 0.623 4.816 4.170 0.038 0.000 0.341 944 I C 1.186 177.490 176.117 0.311 0.000 1.457 944 I CA -0.160 61.266 61.300 0.210 0.000 0.921 944 I CB 0.329 38.480 38.000 0.252 0.000 1.845 944 I HN -0.017 nan 8.210 nan 0.000 0.535 945 G N 0.604 109.616 108.800 0.353 0.000 2.539 945 G HA2 -0.020 3.963 3.960 0.038 0.000 0.215 945 G HA3 -0.020 3.963 3.960 0.038 0.000 0.215 945 G C 0.605 175.753 174.900 0.413 0.000 1.141 945 G CA 0.652 46.026 45.100 0.458 0.000 0.806 945 G HN 0.619 nan 8.290 nan 0.000 0.533 946 D N 1.805 122.422 120.400 0.362 0.000 2.551 946 D HA 0.512 5.174 4.640 0.038 0.000 0.223 946 D C 0.244 176.723 176.300 0.299 0.000 1.144 946 D CA -0.416 53.855 54.000 0.451 0.000 1.025 946 D CB -0.068 41.036 40.800 0.507 0.000 1.085 946 D HN -0.007 nan 8.370 nan 0.000 0.506 947 R N -0.095 120.473 120.500 0.113 0.000 2.532 947 R HA 0.629 4.991 4.340 0.038 0.000 0.295 947 R C 1.251 177.180 176.300 -0.618 0.000 0.968 947 R CA -0.187 55.741 56.100 -0.287 0.000 0.916 947 R CB 0.323 30.536 30.300 -0.145 0.000 1.124 947 R HN 0.685 nan 8.270 nan 0.000 0.463 948 H N 1.794 120.184 119.070 -1.134 0.000 4.447 948 H HA 0.081 4.659 4.556 0.038 0.000 0.280 948 H C 0.552 175.622 175.328 -0.429 0.000 1.046 948 H CA 1.849 57.195 56.048 -1.171 0.000 0.928 948 H CB 0.023 29.224 29.762 -0.936 0.000 2.073 948 H HN 0.579 nan 8.280 nan 0.000 1.375 949 N N -2.098 116.447 118.700 -0.260 0.000 2.575 949 N HA -0.022 4.741 4.740 0.038 0.000 0.258 949 N C 1.929 177.365 175.510 -0.124 0.000 1.019 949 N CA 0.865 53.854 53.050 -0.101 0.000 0.909 949 N CB -0.316 38.235 38.487 0.106 0.000 1.728 949 N HN 0.710 nan 8.380 nan 0.000 0.604 950 D N 1.224 121.555 120.400 -0.114 0.000 2.315 950 D HA -0.079 4.584 4.640 0.038 0.000 0.211 950 D C 1.212 177.407 176.300 -0.176 0.000 0.977 950 D CA 0.952 54.878 54.000 -0.123 0.000 0.894 950 D CB -0.930 39.806 40.800 -0.105 0.000 0.910 950 D HN 0.411 nan 8.370 nan 0.000 0.490 951 N N -1.022 117.540 118.700 -0.230 0.000 2.370 951 N HA 0.262 5.025 4.740 0.038 0.000 0.198 951 N C -0.525 174.778 175.510 -0.346 0.000 1.156 951 N CA -0.089 52.792 53.050 -0.281 0.000 0.839 951 N CB 0.586 38.885 38.487 -0.314 0.000 0.989 951 N HN 0.441 nan 8.380 nan 0.000 0.468 952 I N 1.241 121.610 120.570 -0.336 0.000 2.548 952 I HA 0.307 4.499 4.170 0.038 0.000 0.287 952 I C -0.733 175.143 176.117 -0.401 0.000 1.103 952 I CA -0.391 60.656 61.300 -0.422 0.000 1.049 952 I CB 1.729 39.468 38.000 -0.436 0.000 1.232 952 I HN -0.154 nan 8.210 nan 0.000 0.429 953 M N 6.270 125.495 119.600 -0.625 0.000 2.821 953 M HA 0.710 5.212 4.480 0.038 0.000 0.304 953 M C -0.879 174.978 176.300 -0.739 0.000 1.233 953 M CA -0.929 53.942 55.300 -0.716 0.000 0.851 953 M CB 3.197 35.261 32.600 -0.893 0.000 1.723 953 M HN 0.571 nan 8.290 nan 0.000 0.493 954 I N -0.906 119.389 120.570 -0.459 0.000 2.918 954 I HA 0.619 4.812 4.170 0.038 0.000 0.301 954 I C -0.847 175.321 176.117 0.085 0.000 1.312 954 I CA -0.136 61.088 61.300 -0.127 0.000 1.007 954 I CB 2.570 40.538 38.000 -0.053 0.000 1.281 954 I HN 0.804 nan 8.210 nan 0.000 0.440 955 T N 0.637 115.387 114.554 0.327 0.000 2.943 955 T HA 0.467 4.839 4.350 0.038 0.000 0.284 955 T C 0.587 175.649 174.700 0.604 0.000 1.015 955 T CA -0.407 61.956 62.100 0.440 0.000 1.042 955 T CB 1.553 70.646 68.868 0.375 0.000 1.055 955 T HN 0.762 nan 8.240 nan 0.000 0.500 956 E N -0.042 120.509 120.200 0.585 0.000 2.333 956 E HA -0.077 4.296 4.350 0.038 0.000 0.198 956 E C 1.729 178.434 176.600 0.177 0.000 1.007 956 E CA 0.778 57.328 56.400 0.249 0.000 0.845 956 E CB -0.024 29.681 29.700 0.009 0.000 0.766 956 E HN 0.742 nan 8.360 nan 0.000 0.507 957 T N -1.801 112.887 114.554 0.222 0.000 3.129 957 T HA 0.172 4.545 4.350 0.038 0.000 0.251 957 T C 1.181 175.987 174.700 0.176 0.000 1.117 957 T CA 0.812 63.006 62.100 0.158 0.000 1.034 957 T CB 0.031 68.985 68.868 0.143 0.000 0.968 957 T HN 0.390 nan 8.240 nan 0.000 0.526 958 G N 1.430 110.387 108.800 0.261 0.000 2.213 958 G HA2 -0.210 3.773 3.960 0.038 0.000 0.226 958 G HA3 -0.210 3.773 3.960 0.038 0.000 0.226 958 G C 0.117 175.216 174.900 0.332 0.000 0.992 958 G CA -0.078 45.186 45.100 0.274 0.000 0.632 958 G HN 0.560 nan 8.290 nan 0.000 0.511 959 N N 1.013 119.891 118.700 0.296 0.000 2.420 959 N HA 0.427 5.190 4.740 0.038 0.000 0.262 959 N C 0.139 175.866 175.510 0.361 0.000 1.144 959 N CA -0.094 53.136 53.050 0.299 0.000 0.952 959 N CB 0.756 39.408 38.487 0.276 0.000 1.081 959 N HN 0.555 nan 8.380 nan 0.000 0.480 960 L N 4.538 125.907 121.223 0.244 0.000 2.343 960 L HA 0.647 5.010 4.340 0.038 0.000 0.275 960 L C -1.086 175.868 176.870 0.141 0.000 1.056 960 L CA -0.741 54.148 54.840 0.083 0.000 0.804 960 L CB 0.441 42.426 42.059 -0.124 0.000 1.203 960 L HN 0.549 nan 8.230 nan 0.000 0.440 961 F N 0.367 120.188 119.950 -0.214 0.000 2.654 961 F HA 0.426 4.975 4.527 0.038 0.000 0.314 961 F C -0.780 174.805 175.800 -0.357 0.000 1.116 961 F CA -0.983 56.680 58.000 -0.562 0.000 1.017 961 F CB 0.512 39.441 39.000 -0.118 0.000 1.285 961 F HN 0.453 nan 8.300 nan 0.000 0.448 962 H N 3.156 121.852 119.070 -0.622 0.000 2.639 962 H HA 0.767 5.346 4.556 0.038 0.000 0.373 962 H C 0.030 175.307 175.328 -0.085 0.000 1.372 962 H CA 0.104 55.992 56.048 -0.267 0.000 1.448 962 H CB 1.820 31.533 29.762 -0.081 0.000 1.544 962 H HN 0.806 nan 8.280 nan 0.000 0.615 963 I N -4.740 115.645 120.570 -0.309 0.000 3.298 963 I HA 0.449 4.642 4.170 0.038 0.000 0.315 963 I C -0.883 174.891 176.117 -0.571 0.000 1.293 963 I CA -0.541 60.589 61.300 -0.284 0.000 0.926 963 I CB 1.537 39.461 38.000 -0.127 0.000 1.321 963 I HN 0.777 nan 8.210 nan 0.000 0.487 964 D N 1.158 121.409 120.400 -0.249 0.000 3.763 964 D HA -0.132 4.530 4.640 0.038 0.000 0.232 964 D C -1.225 174.923 176.300 -0.252 0.000 1.108 964 D CA 1.403 55.305 54.000 -0.163 0.000 1.117 964 D CB -1.874 38.831 40.800 -0.158 0.000 0.846 964 D HN 0.578 nan 8.370 nan 0.000 0.405 982 R N -0.258 120.198 120.500 -0.073 0.000 3.142 982 R HA 0.748 5.110 4.340 0.038 0.000 0.260 982 R C -0.582 175.691 176.300 -0.046 0.000 1.129 982 R CA -0.746 55.322 56.100 -0.054 0.000 0.976 982 R CB 1.285 31.597 30.300 0.019 0.000 1.396 982 R HN 0.314 nan 8.270 nan 0.000 0.434 983 V N -2.445 117.471 119.914 0.004 0.000 3.236 983 V HA 0.335 4.478 4.120 0.038 0.000 0.287 983 V C -2.447 173.655 176.094 0.013 0.000 1.491 983 V CA -1.386 60.887 62.300 -0.046 0.000 1.037 983 V CB 1.869 33.645 31.823 -0.079 0.000 1.160 983 V HN 0.477 nan 8.190 nan 0.000 0.453 984 P HA 0.170 nan 4.420 nan 0.000 0.216 984 P C -0.268 177.215 177.300 0.304 0.000 1.153 984 P CA 1.601 64.705 63.100 0.007 0.000 0.844 984 P CB -0.034 31.370 31.700 -0.494 0.000 0.787 985 F N -6.546 113.487 119.950 0.139 0.000 2.807 985 F HA 0.428 4.978 4.527 0.037 0.000 0.316 985 F C -1.460 174.455 175.800 0.192 0.000 1.162 985 F CA -1.675 56.459 58.000 0.224 0.000 0.910 985 F CB 0.454 39.619 39.000 0.274 0.000 1.314 985 F HN -0.559 nan 8.300 nan 0.000 0.454 986 V N 2.444 122.672 119.914 0.522 0.000 2.372 986 V HA 0.317 4.459 4.120 0.038 0.000 0.261 986 V C -0.314 176.121 176.094 0.568 0.000 1.055 986 V CA 0.011 62.537 62.300 0.376 0.000 0.930 986 V CB 0.759 32.761 31.823 0.298 0.000 1.031 986 V HN 0.663 nan 8.190 nan 0.000 0.479 987 L N 6.375 127.814 121.223 0.361 0.000 3.193 987 L HA 0.360 4.723 4.340 0.038 0.000 0.305 987 L C 1.008 177.867 176.870 -0.019 0.000 1.299 987 L CA -0.038 55.108 54.840 0.510 0.000 0.904 987 L CB 0.410 42.702 42.059 0.387 0.000 1.331 987 L HN 0.747 nan 8.230 nan 0.000 0.588 988 T N -1.468 112.712 114.554 -0.623 0.000 2.860 988 T HA -0.055 4.318 4.350 0.038 0.000 0.295 988 T C -1.412 172.847 174.700 -0.736 0.000 1.041 988 T CA -0.279 61.185 62.100 -1.058 0.000 1.132 988 T CB -0.075 67.873 68.868 -1.534 0.000 1.072 988 T HN 0.246 nan 8.240 nan 0.000 0.504 989 P HA -0.158 nan 4.420 nan 0.000 0.218 989 P C 1.557 178.844 177.300 -0.022 0.000 1.150 989 P CA 1.986 64.962 63.100 -0.206 0.000 0.841 989 P CB -0.498 31.148 31.700 -0.091 0.000 0.784 990 D N -1.286 119.040 120.400 -0.122 0.000 2.087 990 D HA -0.220 4.443 4.640 0.038 0.000 0.192 990 D C 1.719 178.186 176.300 0.279 0.000 0.993 990 D CA 1.484 55.537 54.000 0.089 0.000 0.828 990 D CB -1.700 39.101 40.800 0.000 0.000 0.968 990 D HN 0.198 nan 8.370 nan 0.000 0.448 991 F N 0.400 120.459 119.950 0.183 0.000 2.063 991 F HA -0.147 4.403 4.527 0.038 0.000 0.298 991 F C 2.767 178.695 175.800 0.214 0.000 1.109 991 F CA 0.814 59.000 58.000 0.309 0.000 1.212 991 F CB -0.382 38.771 39.000 0.255 0.000 0.973 991 F HN 0.081 nan 8.300 nan 0.000 0.480 992 L N -0.881 120.510 121.223 0.280 0.000 2.042 992 L HA -0.258 4.105 4.340 0.038 0.000 0.210 992 L C 2.412 179.373 176.870 0.151 0.000 1.076 992 L CA 1.272 56.199 54.840 0.145 0.000 0.749 992 L CB -0.757 41.325 42.059 0.039 0.000 0.893 992 L HN 0.116 nan 8.230 nan 0.000 0.432 993 F N 0.558 120.546 119.950 0.063 0.000 2.046 993 F HA -0.248 4.301 4.527 0.038 0.000 0.297 993 F C 2.349 178.195 175.800 0.076 0.000 1.123 993 F CA 1.922 59.959 58.000 0.061 0.000 1.199 993 F CB -0.526 38.516 39.000 0.070 0.000 0.972 993 F HN -0.252 nan 8.300 nan 0.000 0.474 994 V N 0.852 120.842 119.914 0.127 0.000 2.324 994 V HA -0.411 3.731 4.120 0.038 0.000 0.250 994 V C 2.538 178.589 176.094 -0.073 0.000 1.060 994 V CA 2.103 64.379 62.300 -0.041 0.000 1.042 994 V CB -0.799 30.918 31.823 -0.177 0.000 0.650 994 V HN 0.402 nan 8.190 nan 0.000 0.450 995 M N -0.481 119.150 119.600 0.051 0.000 2.108 995 M HA -0.044 4.459 4.480 0.038 0.000 0.261 995 M C 1.691 178.021 176.300 0.050 0.000 1.066 995 M CA 1.926 57.275 55.300 0.082 0.000 1.107 995 M CB -1.234 31.461 32.600 0.157 0.000 1.356 995 M HN 0.668 nan 8.290 nan 0.000 0.406 996 G N 0.241 109.008 108.800 -0.054 0.000 2.188 996 G HA2 -0.105 3.877 3.960 0.038 0.000 0.112 996 G HA3 -0.105 3.877 3.960 0.038 0.000 0.112 996 G C -0.284 174.566 174.900 -0.084 0.000 1.048 996 G CA -0.118 44.925 45.100 -0.096 0.000 0.720 996 G HN 0.372 nan 8.290 nan 0.000 0.487 997 T N -0.104 114.395 114.554 -0.092 0.000 2.921 997 T HA 0.555 4.928 4.350 0.038 0.000 0.297 997 T C 0.846 175.531 174.700 -0.025 0.000 1.013 997 T CA 0.345 62.390 62.100 -0.091 0.000 0.990 997 T CB 1.829 70.576 68.868 -0.202 0.000 1.023 997 T HN 0.223 nan 8.240 nan 0.000 0.447 998 S N 1.715 117.415 115.700 0.001 0.000 2.470 998 S HA 0.418 4.911 4.470 0.038 0.000 0.225 998 S C 1.100 175.709 174.600 0.015 0.000 1.006 998 S CA 1.238 59.479 58.200 0.068 0.000 0.934 998 S CB -0.156 63.086 63.200 0.071 0.000 0.778 998 S HN 1.052 nan 8.310 nan 0.000 0.517 999 G N -0.249 108.520 108.800 -0.053 0.000 2.593 999 G HA2 0.370 4.353 3.960 0.038 0.000 0.103 999 G HA3 0.370 4.353 3.960 0.038 0.000 0.103 999 G C -0.659 174.164 174.900 -0.128 0.000 1.103 999 G CA -0.111 44.941 45.100 -0.079 0.000 1.109 999 G HN 0.427 nan 8.290 nan 0.000 0.516 1000 K N 0.334 120.677 120.400 -0.095 0.000 2.036 1000 K HA 0.592 4.935 4.320 0.038 0.000 0.246 1000 K C 0.421 176.961 176.600 -0.101 0.000 1.148 1000 K CA 2.011 58.239 56.287 -0.097 0.000 1.200 1000 K CB -1.350 31.114 32.500 -0.059 0.000 0.964 1000 K HN 1.810 nan 8.250 nan 0.000 0.364 1001 K N -0.740 119.565 120.400 -0.158 0.000 1.994 1001 K HA 0.851 5.194 4.320 0.038 0.000 0.249 1001 K C -0.296 176.186 176.600 -0.198 0.000 0.688 1001 K CA 0.201 56.406 56.287 -0.137 0.000 0.534 1001 K CB 0.196 32.626 32.500 -0.117 0.000 1.597 1001 K HN 1.250 nan 8.250 nan 0.000 0.464 1002 T N 0.141 114.600 114.554 -0.159 0.000 4.001 1002 T HA 0.349 4.721 4.350 0.038 0.000 0.230 1002 T C -0.322 174.402 174.700 0.040 0.000 0.576 1002 T CA -0.079 61.967 62.100 -0.089 0.000 0.893 1002 T CB -0.553 68.358 68.868 0.071 0.000 1.284 1002 T HN 1.543 nan 8.240 nan 0.000 0.491 1003 S N 1.861 117.591 115.700 0.050 0.000 2.584 1003 S HA 0.358 4.851 4.470 0.038 0.000 0.270 1003 S C -1.547 173.143 174.600 0.150 0.000 1.346 1003 S CA -0.836 57.420 58.200 0.093 0.000 1.018 1003 S CB 0.493 63.753 63.200 0.100 0.000 0.899 1003 S HN 0.295 nan 8.310 nan 0.000 0.542 1004 P HA -0.132 nan 4.420 nan 0.000 0.218 1004 P C 1.208 178.509 177.300 0.000 0.000 1.148 1004 P CA 1.291 64.396 63.100 0.009 0.000 0.822 1004 P CB -0.033 31.618 31.700 -0.081 0.000 0.784 1005 H N -2.578 116.560 119.070 0.112 0.000 2.372 1005 H HA 0.030 4.608 4.556 0.038 0.000 0.301 1005 H C 1.788 177.218 175.328 0.170 0.000 1.065 1005 H CA 0.837 56.949 56.048 0.106 0.000 1.364 1005 H CB -0.884 28.922 29.762 0.073 0.000 1.406 1005 H HN 0.110 nan 8.280 nan 0.000 0.521 1006 F N 2.476 122.532 119.950 0.177 0.000 2.236 1006 F HA -0.285 4.265 4.527 0.038 0.000 0.302 1006 F C 2.585 178.526 175.800 0.235 0.000 1.073 1006 F CA 1.953 60.039 58.000 0.143 0.000 1.336 1006 F CB -0.421 38.612 39.000 0.055 0.000 1.040 1006 F HN 0.219 nan 8.300 nan 0.000 0.507 1007 Q N 0.689 120.623 119.800 0.224 0.000 2.020 1007 Q HA -0.174 4.188 4.340 0.038 0.000 0.198 1007 Q C 2.321 178.372 176.000 0.085 0.000 0.974 1007 Q CA 1.749 57.628 55.803 0.127 0.000 0.829 1007 Q CB -1.009 27.805 28.738 0.126 0.000 0.894 1007 Q HN 0.561 nan 8.270 nan 0.000 0.433 1008 K N -0.932 119.538 120.400 0.117 0.000 2.160 1008 K HA -0.135 4.208 4.320 0.038 0.000 0.206 1008 K C 1.806 178.469 176.600 0.105 0.000 1.047 1008 K CA 1.571 57.929 56.287 0.120 0.000 0.930 1008 K CB -0.439 32.155 32.500 0.157 0.000 0.720 1008 K HN 0.478 nan 8.250 nan 0.000 0.450 1009 F N 1.655 121.566 119.950 -0.064 0.000 2.043 1009 F HA -0.316 4.233 4.527 0.038 0.000 0.297 1009 F C 2.686 178.406 175.800 -0.133 0.000 1.121 1009 F CA 2.893 60.812 58.000 -0.134 0.000 1.199 1009 F CB -0.999 37.850 39.000 -0.252 0.000 0.968 1009 F HN 0.236 nan 8.300 nan 0.000 0.478 1010 Q N 0.327 120.048 119.800 -0.132 0.000 2.123 1010 Q HA -0.165 4.198 4.340 0.038 0.000 0.199 1010 Q C 1.664 177.617 176.000 -0.078 0.000 0.966 1010 Q CA 1.685 57.402 55.803 -0.144 0.000 0.845 1010 Q CB -1.688 27.008 28.738 -0.071 0.000 0.907 1010 Q HN 0.707 nan 8.270 nan 0.000 0.439 1011 D N -0.849 119.534 120.400 -0.028 0.000 2.311 1011 D HA -0.119 4.544 4.640 0.038 0.000 0.212 1011 D C 1.404 177.684 176.300 -0.033 0.000 0.972 1011 D CA 1.303 55.303 54.000 0.000 0.000 0.887 1011 D CB 0.047 40.870 40.800 0.038 0.000 0.915 1011 D HN 0.484 nan 8.370 nan 0.000 0.497 1012 I N -0.184 120.332 120.570 -0.091 0.000 3.325 1012 I HA -0.073 4.120 4.170 0.038 0.000 0.237 1012 I C 2.356 178.332 176.117 -0.234 0.000 1.068 1012 I CA 0.144 61.351 61.300 -0.154 0.000 1.511 1012 I CB -1.230 36.690 38.000 -0.133 0.000 1.409 1012 I HN 0.226 nan 8.210 nan 0.000 0.464 1013 C N 1.277 120.381 119.300 -0.327 0.000 2.269 1013 C HA -0.255 4.228 4.460 0.038 0.000 0.264 1013 C C 2.911 177.804 174.990 -0.162 0.000 1.112 1013 C CA 1.621 60.468 59.018 -0.285 0.000 1.805 1013 C CB -1.228 26.414 27.740 -0.163 0.000 1.958 1013 C HN 0.408 nan 8.230 nan 0.000 0.418 1014 V N 1.035 120.934 119.914 -0.024 0.000 2.392 1014 V HA -0.220 3.923 4.120 0.038 0.000 0.249 1014 V C 2.566 178.664 176.094 0.006 0.000 1.059 1014 V CA 2.084 64.425 62.300 0.068 0.000 1.051 1014 V CB -0.737 31.155 31.823 0.116 0.000 0.658 1014 V HN 0.510 nan 8.190 nan 0.000 0.455 1015 K N 0.217 120.590 120.400 -0.044 0.000 2.283 1015 K HA -0.030 4.313 4.320 0.038 0.000 0.202 1015 K C 1.963 178.517 176.600 -0.077 0.000 1.048 1015 K CA 1.405 57.661 56.287 -0.052 0.000 0.948 1015 K CB -0.076 32.389 32.500 -0.059 0.000 0.742 1015 K HN 0.491 nan 8.250 nan 0.000 0.458 1016 A N -0.487 122.251 122.820 -0.136 0.000 1.924 1016 A HA -0.071 4.272 4.320 0.038 0.000 0.211 1016 A C 1.956 179.690 177.584 0.250 0.000 1.198 1016 A CA 0.320 52.294 52.037 -0.105 0.000 0.657 1016 A CB -0.610 18.009 19.000 -0.634 0.000 0.852 1016 A HN 0.349 nan 8.150 nan 0.000 0.454 1017 Y N 0.826 121.062 120.300 -0.107 0.000 2.224 1017 Y HA -0.049 4.524 4.550 0.038 0.000 0.289 1017 Y C 1.675 177.504 175.900 -0.118 0.000 1.146 1017 Y CA 1.557 59.560 58.100 -0.161 0.000 1.182 1017 Y CB -0.300 37.897 38.460 -0.439 0.000 0.983 1017 Y HN 0.184 nan 8.280 nan 0.000 0.524 1018 L N -0.425 120.617 121.223 -0.302 0.000 2.395 1018 L HA 0.006 4.369 4.340 0.038 0.000 0.218 1018 L C 2.542 179.026 176.870 -0.644 0.000 1.130 1018 L CA 0.705 55.262 54.840 -0.471 0.000 0.826 1018 L CB -0.590 41.321 42.059 -0.246 0.000 0.941 1018 L HN 0.297 nan 8.230 nan 0.000 0.451 1019 A N -0.151 122.459 122.820 -0.350 0.000 2.014 1019 A HA -0.043 4.300 4.320 0.038 0.000 0.218 1019 A C 2.172 179.643 177.584 -0.189 0.000 1.163 1019 A CA 0.896 52.764 52.037 -0.281 0.000 0.652 1019 A CB -0.248 18.861 19.000 0.183 0.000 0.808 1019 A HN 0.344 nan 8.150 nan 0.000 0.449 1020 L N -1.694 119.431 121.223 -0.163 0.000 2.162 1020 L HA -0.012 4.351 4.340 0.038 0.000 0.205 1020 L C 2.647 179.449 176.870 -0.114 0.000 1.086 1020 L CA 0.940 55.702 54.840 -0.130 0.000 0.778 1020 L CB -0.394 41.586 42.059 -0.131 0.000 0.928 1020 L HN 0.316 nan 8.230 nan 0.000 0.446 1021 R N -0.282 120.045 120.500 -0.289 0.000 2.170 1021 R HA -0.186 4.176 4.340 0.038 0.000 0.242 1021 R C 1.996 178.263 176.300 -0.055 0.000 1.145 1021 R CA 1.249 57.211 56.100 -0.230 0.000 0.984 1021 R CB -0.302 29.788 30.300 -0.350 0.000 0.869 1021 R HN 0.492 nan 8.270 nan 0.000 0.455 1022 H N -2.509 116.531 119.070 -0.049 0.000 2.560 1022 H HA -0.082 4.496 4.556 0.037 0.000 0.283 1022 H C 0.340 175.474 175.328 -0.324 0.000 1.028 1022 H CA 0.672 56.643 56.048 -0.129 0.000 1.221 1022 H CB 0.168 29.887 29.762 -0.072 0.000 1.363 1022 H HN 0.371 nan 8.280 nan 0.000 0.594 1023 H N -2.094 116.984 119.070 0.014 0.000 2.665 1023 H HA 0.112 4.691 4.556 0.039 0.000 0.248 1023 H C 1.339 176.644 175.328 -0.038 0.000 1.175 1023 H CA -0.175 55.864 56.048 -0.015 0.000 0.952 1023 H CB 0.541 30.283 29.762 -0.033 0.000 1.883 1023 H HN 0.087 nan 8.280 nan 0.000 0.623 1024 T N 0.599 115.168 114.554 0.026 0.000 2.594 1024 T HA -0.284 4.089 4.350 0.038 0.000 0.266 1024 T C 1.846 176.552 174.700 0.010 0.000 1.070 1024 T CA 2.228 64.321 62.100 -0.011 0.000 1.166 1024 T CB -0.163 68.682 68.868 -0.037 0.000 0.862 1024 T HN 0.458 nan 8.240 nan 0.000 0.436 1025 N N 0.835 119.546 118.700 0.017 0.000 2.061 1025 N HA -0.051 4.712 4.740 0.038 0.000 0.193 1025 N C 1.757 177.297 175.510 0.050 0.000 1.030 1025 N CA 0.881 53.949 53.050 0.031 0.000 0.856 1025 N CB -0.660 37.842 38.487 0.024 0.000 1.023 1025 N HN 0.263 nan 8.380 nan 0.000 0.424 1026 L N 0.516 121.780 121.223 0.068 0.000 1.970 1026 L HA -0.154 4.208 4.340 0.038 0.000 0.212 1026 L C 1.896 178.809 176.870 0.072 0.000 1.071 1026 L CA 1.410 56.298 54.840 0.080 0.000 0.751 1026 L CB -0.465 41.669 42.059 0.126 0.000 0.889 1026 L HN 0.240 nan 8.230 nan 0.000 0.432 1027 L N -0.386 120.868 121.223 0.053 0.000 2.127 1027 L HA -0.290 4.073 4.340 0.038 0.000 0.211 1027 L C 2.454 179.370 176.870 0.078 0.000 1.089 1027 L CA 1.252 56.111 54.840 0.032 0.000 0.757 1027 L CB -0.348 41.695 42.059 -0.027 0.000 0.899 1027 L HN 0.355 nan 8.230 nan 0.000 0.434 1028 I N -1.029 119.580 120.570 0.064 0.000 2.617 1028 I HA -0.217 3.975 4.170 0.038 0.000 0.256 1028 I C 2.301 178.505 176.117 0.144 0.000 1.167 1028 I CA 0.763 62.121 61.300 0.097 0.000 1.469 1028 I CB 0.107 38.135 38.000 0.047 0.000 1.098 1028 I HN 0.210 nan 8.210 nan 0.000 0.436 1029 I N 0.564 121.198 120.570 0.107 0.000 2.584 1029 I HA -0.141 4.052 4.170 0.038 0.000 0.255 1029 I C 2.104 178.281 176.117 0.100 0.000 1.145 1029 I CA 1.429 62.786 61.300 0.096 0.000 1.462 1029 I CB -0.052 37.990 38.000 0.070 0.000 1.102 1029 I HN 0.046 nan 8.210 nan 0.000 0.433 1030 L N -1.330 119.958 121.223 0.109 0.000 2.095 1030 L HA -0.145 4.218 4.340 0.038 0.000 0.204 1030 L C 2.432 179.356 176.870 0.091 0.000 1.080 1030 L CA 1.131 56.026 54.840 0.091 0.000 0.759 1030 L CB -0.863 41.247 42.059 0.084 0.000 0.914 1030 L HN 0.210 nan 8.230 nan 0.000 0.439 1031 F N 0.805 120.755 119.950 0.001 0.000 2.043 1031 F HA -0.330 4.219 4.527 0.037 0.000 0.297 1031 F C 2.940 178.748 175.800 0.013 0.000 1.121 1031 F CA 1.987 59.987 58.000 0.001 0.000 1.199 1031 F CB -0.498 38.510 39.000 0.013 0.000 0.968 1031 F HN -0.020 nan 8.300 nan 0.000 0.478 1032 S N 0.072 115.819 115.700 0.078 0.000 2.374 1032 S HA -0.267 4.225 4.470 0.038 0.000 0.227 1032 S C 2.159 176.733 174.600 -0.044 0.000 1.037 1032 S CA 1.835 60.034 58.200 -0.003 0.000 1.024 1032 S CB -0.394 62.862 63.200 0.093 0.000 0.861 1032 S HN 0.518 nan 8.310 nan 0.000 0.456 1033 M N 0.427 120.035 119.600 0.013 0.000 2.132 1033 M HA -0.067 4.435 4.480 0.038 0.000 0.263 1033 M C 2.396 178.690 176.300 -0.010 0.000 1.065 1033 M CA 1.683 57.027 55.300 0.074 0.000 1.122 1033 M CB -0.397 32.273 32.600 0.116 0.000 1.365 1033 M HN 0.524 nan 8.290 nan 0.000 0.411 1034 M N 0.652 120.194 119.600 -0.098 0.000 2.108 1034 M HA -0.235 4.268 4.480 0.038 0.000 0.261 1034 M C 1.746 177.929 176.300 -0.195 0.000 1.066 1034 M CA 1.776 56.980 55.300 -0.159 0.000 1.107 1034 M CB -0.142 32.338 32.600 -0.200 0.000 1.356 1034 M HN 0.262 nan 8.290 nan 0.000 0.406 1035 L N -0.215 120.846 121.223 -0.270 0.000 2.109 1035 L HA -0.151 4.212 4.340 0.038 0.000 0.207 1035 L C 2.526 179.319 176.870 -0.127 0.000 1.086 1035 L CA 1.042 55.736 54.840 -0.244 0.000 0.760 1035 L CB -0.623 41.237 42.059 -0.333 0.000 0.910 1035 L HN 0.430 nan 8.230 nan 0.000 0.437 1036 M N -0.611 118.952 119.600 -0.062 0.000 2.394 1036 M HA -0.086 4.417 4.480 0.038 0.000 0.264 1036 M C 1.742 178.033 176.300 -0.015 0.000 1.073 1036 M CA 1.780 57.092 55.300 0.019 0.000 1.111 1036 M CB -0.421 32.273 32.600 0.157 0.000 1.401 1036 M HN 0.398 nan 8.290 nan 0.000 0.448 1037 T N -4.899 109.610 114.554 -0.075 0.000 3.043 1037 T HA 0.310 4.683 4.350 0.038 0.000 0.272 1037 T C 1.300 175.921 174.700 -0.132 0.000 0.990 1037 T CA 0.311 62.319 62.100 -0.153 0.000 0.897 1037 T CB 0.384 69.099 68.868 -0.256 0.000 1.111 1037 T HN 0.326 nan 8.240 nan 0.000 0.529 1038 G N 0.921 109.653 108.800 -0.114 0.000 2.747 1038 G HA2 0.454 4.436 3.960 0.038 0.000 0.202 1038 G HA3 0.454 4.436 3.960 0.038 0.000 0.202 1038 G C 0.228 175.081 174.900 -0.079 0.000 1.090 1038 G CA -0.167 44.871 45.100 -0.102 0.000 0.779 1038 G HN 0.319 nan 8.290 nan 0.000 0.535 1039 M N 0.147 119.697 119.600 -0.082 0.000 2.527 1039 M HA 0.500 5.003 4.480 0.038 0.000 0.283 1039 M C -1.607 174.664 176.300 -0.049 0.000 1.188 1039 M CA -2.401 52.861 55.300 -0.062 0.000 0.941 1039 M CB 1.166 33.720 32.600 -0.076 0.000 1.498 1039 M HN -0.214 nan 8.290 nan 0.000 0.510 1040 P HA -0.061 nan 4.420 nan 0.000 0.207 1040 P C -0.728 176.561 177.300 -0.017 0.000 1.072 1040 P CA 0.488 63.579 63.100 -0.014 0.000 0.798 1040 P CB 0.048 31.748 31.700 0.001 0.000 0.570 1041 Q N -0.503 119.294 119.800 -0.004 0.000 2.230 1041 Q HA 0.511 4.873 4.340 0.038 0.000 0.253 1041 Q C -1.375 174.593 176.000 -0.054 0.000 0.919 1041 Q CA -0.519 55.294 55.803 0.017 0.000 0.908 1041 Q CB 0.589 29.369 28.738 0.071 0.000 1.245 1041 Q HN 0.019 nan 8.270 nan 0.000 0.437 1042 L N 2.656 123.838 121.223 -0.067 0.000 2.341 1042 L HA 0.523 4.886 4.340 0.038 0.000 0.278 1042 L C -0.739 175.882 176.870 -0.416 0.000 1.005 1042 L CA 0.021 54.759 54.840 -0.169 0.000 0.818 1042 L CB 2.113 44.118 42.059 -0.090 0.000 1.259 1042 L HN 0.719 nan 8.230 nan 0.000 0.418 1043 T N 2.938 117.244 114.554 -0.415 0.000 2.933 1043 T HA -0.026 4.346 4.350 0.038 0.000 0.263 1043 T C 1.431 175.954 174.700 -0.294 0.000 0.925 1043 T CA 0.738 62.525 62.100 -0.521 0.000 1.156 1043 T CB -0.062 68.647 68.868 -0.265 0.000 0.916 1043 T HN 0.730 nan 8.240 nan 0.000 0.601 1044 S N 2.586 118.126 115.700 -0.267 0.000 2.559 1044 S HA -0.100 4.393 4.470 0.038 0.000 0.250 1044 S C 1.652 176.277 174.600 0.042 0.000 0.977 1044 S CA 1.067 59.297 58.200 0.050 0.000 0.958 1044 S CB -0.112 63.285 63.200 0.327 0.000 0.751 1044 S HN 0.448 nan 8.310 nan 0.000 0.534 1045 K N 0.581 120.976 120.400 -0.007 0.000 3.334 1045 K HA 0.336 4.678 4.320 0.038 0.000 0.249 1045 K C 0.835 177.451 176.600 0.028 0.000 1.231 1045 K CA -0.012 56.290 56.287 0.025 0.000 1.266 1045 K CB -0.843 31.677 32.500 0.033 0.000 2.012 1045 K HN 0.351 nan 8.250 nan 0.000 0.440 1046 E N 1.220 121.431 120.200 0.017 0.000 3.056 1046 E HA -0.043 4.330 4.350 0.038 0.000 0.275 1046 E C -0.196 176.447 176.600 0.072 0.000 1.468 1046 E CA 0.090 56.522 56.400 0.053 0.000 1.219 1046 E CB 0.244 29.971 29.700 0.046 0.000 1.119 1046 E HN 0.245 nan 8.360 nan 0.000 0.710 1047 D N -1.549 118.929 120.400 0.129 0.000 2.429 1047 D HA -0.244 4.419 4.640 0.038 0.000 0.162 1047 D C 1.247 177.772 176.300 0.374 0.000 1.615 1047 D CA 2.018 56.123 54.000 0.174 0.000 1.630 1047 D CB -0.966 39.862 40.800 0.047 0.000 1.347 1047 D HN 0.371 nan 8.370 nan 0.000 0.454 1048 I N 0.972 121.734 120.570 0.320 0.000 2.556 1048 I HA -0.028 4.164 4.170 0.038 0.000 0.251 1048 I C 2.159 178.453 176.117 0.296 0.000 1.105 1048 I CA 0.288 61.891 61.300 0.504 0.000 1.436 1048 I CB -0.254 37.908 38.000 0.270 0.000 1.139 1048 I HN -0.069 nan 8.210 nan 0.000 0.438 1049 E N 0.766 121.065 120.200 0.166 0.000 2.331 1049 E HA -0.274 4.098 4.350 0.038 0.000 0.199 1049 E C 1.856 178.466 176.600 0.017 0.000 1.008 1049 E CA 1.173 57.615 56.400 0.069 0.000 0.843 1049 E CB -0.257 29.477 29.700 0.057 0.000 0.761 1049 E HN 0.549 nan 8.360 nan 0.000 0.507 1050 Y N 1.189 121.489 120.300 -0.000 0.000 2.165 1050 Y HA -0.229 4.344 4.550 0.039 0.000 0.286 1050 Y C 2.059 177.839 175.900 -0.199 0.000 1.155 1050 Y CA 1.445 59.515 58.100 -0.051 0.000 1.164 1050 Y CB -0.177 38.285 38.460 0.004 0.000 0.978 1050 Y HN -0.005 nan 8.280 nan 0.000 0.513 1051 I N 0.151 120.460 120.570 -0.434 0.000 2.493 1051 I HA -0.248 3.944 4.170 0.038 0.000 0.254 1051 I C 2.701 178.577 176.117 -0.402 0.000 1.160 1051 I CA 1.325 62.265 61.300 -0.600 0.000 1.445 1051 I CB -0.421 37.071 38.000 -0.847 0.000 1.086 1051 I HN 0.361 nan 8.210 nan 0.000 0.433 1052 R N 0.564 120.905 120.500 -0.264 0.000 2.070 1052 R HA -0.216 4.146 4.340 0.038 0.000 0.233 1052 R C 1.791 177.965 176.300 -0.211 0.000 1.137 1052 R CA 2.056 58.052 56.100 -0.174 0.000 0.945 1052 R CB -1.722 28.520 30.300 -0.098 0.000 0.845 1052 R HN 0.445 nan 8.270 nan 0.000 0.430 1053 D N 0.542 120.791 120.400 -0.253 0.000 2.120 1053 D HA -0.147 4.515 4.640 0.038 0.000 0.191 1053 D C 2.326 178.462 176.300 -0.272 0.000 0.994 1053 D CA 2.164 56.018 54.000 -0.243 0.000 0.838 1053 D CB -0.882 39.779 40.800 -0.232 0.000 0.976 1053 D HN 0.491 nan 8.370 nan 0.000 0.447 1054 A N 0.988 123.538 122.820 -0.450 0.000 1.915 1054 A HA -0.208 4.134 4.320 0.038 0.000 0.220 1054 A C 2.413 179.946 177.584 -0.086 0.000 1.198 1054 A CA 1.483 53.278 52.037 -0.403 0.000 0.647 1054 A CB -1.044 17.415 19.000 -0.902 0.000 0.825 1054 A HN 0.289 nan 8.150 nan 0.000 0.456 1055 L N -0.005 121.141 121.223 -0.129 0.000 2.552 1055 L HA -0.037 4.325 4.340 0.038 0.000 0.227 1055 L C 1.189 178.046 176.870 -0.021 0.000 1.146 1055 L CA 0.822 55.665 54.840 0.004 0.000 0.858 1055 L CB -0.795 41.204 42.059 -0.100 0.000 0.969 1055 L HN 0.772 nan 8.230 nan 0.000 0.451 1056 T N -2.851 111.635 114.554 -0.114 0.000 3.782 1056 T HA -0.162 4.211 4.350 0.038 0.000 0.383 1056 T C 0.037 174.662 174.700 -0.124 0.000 0.762 1056 T CA -0.088 61.897 62.100 -0.191 0.000 2.005 1056 T CB -3.016 65.722 68.868 -0.216 0.000 1.765 1056 T HN -0.026 nan 8.240 nan 0.000 0.774 1057 V N 1.539 121.387 119.914 -0.111 0.000 2.673 1057 V HA 0.463 4.606 4.120 0.038 0.000 0.303 1057 V C 2.182 178.237 176.094 -0.064 0.000 1.046 1057 V CA 1.367 63.619 62.300 -0.080 0.000 1.126 1057 V CB 0.343 32.126 31.823 -0.068 0.000 0.934 1057 V HN 1.780 nan 8.190 nan 0.000 0.487 1058 G N 3.694 112.466 108.800 -0.047 0.000 2.454 1058 G HA2 -0.224 3.758 3.960 0.038 0.000 0.225 1058 G HA3 -0.224 3.758 3.960 0.038 0.000 0.225 1058 G C 0.534 175.417 174.900 -0.029 0.000 1.138 1058 G CA 0.151 45.231 45.100 -0.033 0.000 0.667 1058 G HN 0.577 nan 8.290 nan 0.000 0.512 1059 K N 1.811 122.188 120.400 -0.038 0.000 2.343 1059 K HA 0.352 4.695 4.320 0.038 0.000 0.250 1059 K C 0.775 177.368 176.600 -0.011 0.000 1.087 1059 K CA 0.514 56.788 56.287 -0.023 0.000 0.853 1059 K CB -0.348 32.134 32.500 -0.031 0.000 1.133 1059 K HN 0.854 nan 8.250 nan 0.000 0.509 1060 N N -0.789 117.914 118.700 0.006 0.000 2.459 1060 N HA 0.095 4.858 4.740 0.038 0.000 0.288 1060 N C -0.019 175.505 175.510 0.024 0.000 1.186 1060 N CA -0.626 52.432 53.050 0.014 0.000 0.917 1060 N CB 0.760 39.260 38.487 0.022 0.000 1.219 1060 N HN 0.263 nan 8.380 nan 0.000 0.525 1061 E N -0.583 119.631 120.200 0.024 0.000 2.401 1061 E HA -0.114 4.259 4.350 0.038 0.000 0.203 1061 E C 0.239 176.871 176.600 0.054 0.000 1.229 1061 E CA 0.743 57.162 56.400 0.031 0.000 1.000 1061 E CB -0.391 29.332 29.700 0.038 0.000 1.052 1061 E HN 0.807 nan 8.360 nan 0.000 0.497 1062 E N -0.074 120.166 120.200 0.067 0.000 3.590 1062 E HA -0.029 4.344 4.350 0.038 0.000 0.223 1062 E C 1.446 178.115 176.600 0.115 0.000 1.195 1062 E CA 0.301 56.753 56.400 0.087 0.000 1.670 1062 E CB -0.538 29.203 29.700 0.067 0.000 1.578 1062 E HN 0.057 nan 8.360 nan 0.000 0.763 1063 D N 1.287 121.746 120.400 0.097 0.000 2.172 1063 D HA -0.080 4.582 4.640 0.038 0.000 0.196 1063 D C 2.026 178.436 176.300 0.183 0.000 0.999 1063 D CA 2.069 56.138 54.000 0.115 0.000 0.856 1063 D CB -0.110 40.734 40.800 0.073 0.000 0.934 1063 D HN 0.561 nan 8.370 nan 0.000 0.453 1064 A N 0.544 123.473 122.820 0.182 0.000 1.854 1064 A HA -0.053 4.290 4.320 0.038 0.000 0.214 1064 A C 2.300 180.164 177.584 0.467 0.000 1.192 1064 A CA 2.482 54.707 52.037 0.314 0.000 0.611 1064 A CB -1.089 18.034 19.000 0.205 0.000 0.832 1064 A HN 0.256 nan 8.150 nan 0.000 0.442 1065 K N 0.170 120.766 120.400 0.327 0.000 2.113 1065 K HA -0.195 4.147 4.320 0.038 0.000 0.208 1065 K C 1.908 178.689 176.600 0.302 0.000 1.047 1065 K CA 2.136 58.615 56.287 0.322 0.000 0.928 1065 K CB -0.637 31.982 32.500 0.198 0.000 0.716 1065 K HN 0.463 nan 8.250 nan 0.000 0.446 1066 K N -1.290 119.261 120.400 0.253 0.000 2.137 1066 K HA 0.006 4.348 4.320 0.038 0.000 0.202 1066 K C 2.008 178.736 176.600 0.212 0.000 1.052 1066 K CA 1.028 57.432 56.287 0.195 0.000 0.961 1066 K CB -0.495 32.097 32.500 0.154 0.000 0.741 1066 K HN 0.590 nan 8.250 nan 0.000 0.452 1067 Y N 1.069 121.464 120.300 0.159 0.000 2.081 1067 Y HA -0.299 4.275 4.550 0.040 0.000 0.280 1067 Y C 2.169 178.134 175.900 0.108 0.000 1.163 1067 Y CA 1.686 59.874 58.100 0.147 0.000 1.135 1067 Y CB -0.582 38.008 38.460 0.215 0.000 0.970 1067 Y HN 0.011 nan 8.280 nan 0.000 0.498 1068 F N 0.109 120.067 119.950 0.013 0.000 2.171 1068 F HA -0.197 4.353 4.527 0.038 0.000 0.300 1068 F C 1.911 177.594 175.800 -0.196 0.000 1.090 1068 F CA 1.467 59.306 58.000 -0.268 0.000 1.293 1068 F CB -0.604 38.229 39.000 -0.278 0.000 1.013 1068 F HN 0.106 nan 8.300 nan 0.000 0.486 1069 L N 0.245 121.411 121.223 -0.094 0.000 2.017 1069 L HA -0.170 4.192 4.340 0.038 0.000 0.208 1069 L C 2.710 179.465 176.870 -0.191 0.000 1.073 1069 L CA 1.851 56.616 54.840 -0.124 0.000 0.745 1069 L CB -1.754 40.326 42.059 0.035 0.000 0.894 1069 L HN 0.307 nan 8.230 nan 0.000 0.432 1070 D N -1.047 119.255 120.400 -0.163 0.000 2.158 1070 D HA -0.240 4.423 4.640 0.038 0.000 0.197 1070 D C 2.009 178.128 176.300 -0.301 0.000 0.995 1070 D CA 1.471 55.365 54.000 -0.176 0.000 0.846 1070 D CB -0.362 40.356 40.800 -0.137 0.000 0.941 1070 D HN 0.347 nan 8.370 nan 0.000 0.456 1071 Q N -0.225 119.291 119.800 -0.474 0.000 2.002 1071 Q HA -0.057 4.306 4.340 0.038 0.000 0.204 1071 Q C 2.570 178.188 176.000 -0.636 0.000 0.988 1071 Q CA 0.685 56.112 55.803 -0.626 0.000 0.843 1071 Q CB -0.630 27.569 28.738 -0.899 0.000 0.908 1071 Q HN 0.671 nan 8.270 nan 0.000 0.420 1072 I N 1.239 121.438 120.570 -0.619 0.000 2.236 1072 I HA -0.322 3.870 4.170 0.038 0.000 0.249 1072 I C 2.064 178.033 176.117 -0.247 0.000 1.102 1072 I CA 1.270 62.337 61.300 -0.388 0.000 1.365 1072 I CB -0.026 37.875 38.000 -0.165 0.000 1.051 1072 I HN 0.236 nan 8.210 nan 0.000 0.420 1073 E N 0.307 120.381 120.200 -0.210 0.000 2.001 1073 E HA -0.172 4.201 4.350 0.038 0.000 0.195 1073 E C 2.252 178.740 176.600 -0.186 0.000 1.002 1073 E CA 1.266 57.580 56.400 -0.143 0.000 0.819 1073 E CB -0.920 28.714 29.700 -0.110 0.000 0.769 1073 E HN 0.303 nan 8.360 nan 0.000 0.454 1074 V N 1.450 121.231 119.914 -0.221 0.000 2.357 1074 V HA -0.349 3.794 4.120 0.038 0.000 0.257 1074 V C 2.630 178.586 176.094 -0.230 0.000 1.082 1074 V CA 2.024 64.198 62.300 -0.209 0.000 1.078 1074 V CB -0.910 30.777 31.823 -0.226 0.000 0.663 1074 V HN 0.406 nan 8.190 nan 0.000 0.455 1075 C N 0.130 119.242 119.300 -0.314 0.000 2.446 1075 C HA 0.002 4.484 4.460 0.038 0.000 0.279 1075 C C 3.156 178.008 174.990 -0.229 0.000 1.366 1075 C CA 1.367 60.200 59.018 -0.308 0.000 1.763 1075 C CB -1.047 26.423 27.740 -0.450 0.000 1.929 1075 C HN 0.631 nan 8.230 nan 0.000 0.509 1076 R N 0.067 120.456 120.500 -0.184 0.000 2.189 1076 R HA 0.021 4.384 4.340 0.038 0.000 0.203 1076 R C 1.896 178.118 176.300 -0.130 0.000 1.012 1076 R CA 1.362 57.374 56.100 -0.146 0.000 1.015 1076 R CB -1.196 29.042 30.300 -0.104 0.000 0.938 1076 R HN 0.729 nan 8.270 nan 0.000 0.472 1077 D N 0.508 120.833 120.400 -0.125 0.000 2.219 1077 D HA -0.110 4.553 4.640 0.038 0.000 0.205 1077 D C 0.580 176.825 176.300 -0.091 0.000 0.970 1077 D CA 0.879 54.821 54.000 -0.098 0.000 0.851 1077 D CB 0.208 40.951 40.800 -0.095 0.000 0.943 1077 D HN 0.267 nan 8.370 nan 0.000 0.488 1078 K N -0.048 120.283 120.400 -0.115 0.000 2.374 1078 K HA 0.175 4.518 4.320 0.038 0.000 0.196 1078 K C 1.675 178.217 176.600 -0.097 0.000 1.023 1078 K CA 0.570 56.798 56.287 -0.098 0.000 1.103 1078 K CB 0.263 32.696 32.500 -0.112 0.000 0.848 1078 K HN 0.208 nan 8.250 nan 0.000 0.528 1079 G N 1.527 110.243 108.800 -0.140 0.000 3.815 1079 G HA2 -0.330 3.653 3.960 0.038 0.000 0.371 1079 G HA3 -0.330 3.653 3.960 0.038 0.000 0.371 1079 G C 0.552 175.202 174.900 -0.417 0.000 1.813 1079 G CA 1.297 46.291 45.100 -0.177 0.000 1.893 1079 G HN 0.492 nan 8.290 nan 0.000 0.863 1080 W N 0.234 121.478 121.300 -0.093 0.000 1.460 1080 W HA 0.424 5.107 4.660 0.038 0.000 0.226 1080 W C 1.918 178.415 176.519 -0.037 0.000 0.808 1080 W CA 0.354 57.646 57.345 -0.088 0.000 1.278 1080 W CB -0.450 28.959 29.460 -0.084 0.000 0.927 1080 W HN 0.305 nan 8.180 nan 0.000 0.442 1081 T N 0.603 115.218 114.554 0.102 0.000 2.653 1081 T HA -0.269 4.104 4.350 0.038 0.000 0.267 1081 T C 1.605 176.313 174.700 0.014 0.000 1.037 1081 T CA 2.175 64.307 62.100 0.053 0.000 1.159 1081 T CB -0.399 68.454 68.868 -0.025 0.000 0.859 1081 T HN 0.023 nan 8.240 nan 0.000 0.449 1082 V N 0.605 120.458 119.914 -0.101 0.000 2.795 1082 V HA -0.008 4.135 4.120 0.038 0.000 0.243 1082 V C 2.628 178.547 176.094 -0.292 0.000 1.069 1082 V CA 0.662 62.736 62.300 -0.377 0.000 1.089 1082 V CB -0.396 31.031 31.823 -0.660 0.000 0.756 1082 V HN 0.298 nan 8.190 nan 0.000 0.471 1083 Q N -0.197 119.667 119.800 0.106 0.000 2.173 1083 Q HA -0.264 4.099 4.340 0.038 0.000 0.208 1083 Q C 2.128 178.409 176.000 0.468 0.000 0.989 1083 Q CA 2.168 58.233 55.803 0.437 0.000 0.872 1083 Q CB -0.496 28.429 28.738 0.310 0.000 0.909 1083 Q HN 0.711 nan 8.270 nan 0.000 0.420 1084 F N 1.489 121.583 119.950 0.241 0.000 2.234 1084 F HA -0.050 4.500 4.527 0.038 0.000 0.296 1084 F C 1.893 177.747 175.800 0.091 0.000 1.089 1084 F CA 1.030 59.150 58.000 0.200 0.000 1.343 1084 F CB -0.269 38.774 39.000 0.072 0.000 1.040 1084 F HN 0.014 nan 8.300 nan 0.000 0.498 1085 N N 0.394 118.880 118.700 -0.357 0.000 2.062 1085 N HA -0.233 4.530 4.740 0.038 0.000 0.191 1085 N C 0.081 175.552 175.510 -0.066 0.000 1.042 1085 N CA 0.901 53.653 53.050 -0.496 0.000 0.845 1085 N CB -0.869 37.421 38.487 -0.329 0.000 1.024 1085 N HN 0.394 nan 8.380 nan 0.000 0.424 1086 W N 0.912 122.272 121.300 0.100 0.000 2.665 1086 W HA -0.184 4.499 4.660 0.038 0.000 0.447 1086 W C -0.341 176.385 176.519 0.345 0.000 0.773 1086 W CA -0.173 57.275 57.345 0.171 0.000 1.046 1086 W CB -0.970 28.567 29.460 0.128 0.000 0.967 1086 W HN 0.020 nan 8.180 nan 0.000 0.628 1087 F N 0.000 120.019 119.950 0.115 0.000 2.286 1087 F HA 0.000 4.550 4.527 0.038 0.000 0.279 1087 F CA 0.000 58.024 58.000 0.040 0.000 1.383 1087 F CB 0.000 38.964 39.000 -0.060 0.000 1.145 1087 F HN 0.000 nan 8.300 nan 0.000 0.574