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 2chw_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMA KXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PRNTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNX XHPIAXXXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS AEKYDVSSQV 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 DFGHXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVL 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 0.000 174.612 174.600 0.021 0.000 1.055 144 S CA 0.000 58.208 58.200 0.014 0.000 1.107 144 S CB 0.000 63.204 63.200 0.006 0.000 0.593 145 E N 1.083 121.292 120.200 0.015 0.000 2.058 145 E HA -0.163 4.200 4.350 0.023 0.000 0.194 145 E C 1.530 178.148 176.600 0.029 0.000 0.997 145 E CA 1.724 58.136 56.400 0.019 0.000 0.801 145 E CB -0.186 29.521 29.700 0.012 0.000 0.746 145 E HN 0.712 nan 8.360 nan 0.000 0.450 146 E N 0.311 120.524 120.200 0.022 0.000 2.085 146 E HA -0.146 4.218 4.350 0.023 0.000 0.194 146 E C 2.091 178.736 176.600 0.076 0.000 0.994 146 E CA 1.503 57.919 56.400 0.027 0.000 0.801 146 E CB -0.371 29.321 29.700 -0.014 0.000 0.743 146 E HN 0.288 nan 8.360 nan 0.000 0.453 147 S N 0.500 116.247 115.700 0.078 0.000 2.481 147 S HA -0.114 4.370 4.470 0.023 0.000 0.231 147 S C 1.885 176.585 174.600 0.166 0.000 0.996 147 S CA 0.653 58.952 58.200 0.164 0.000 0.942 147 S CB -0.120 63.149 63.200 0.115 0.000 0.768 147 S HN 0.207 nan 8.310 nan 0.000 0.520 148 Q N 1.407 121.265 119.800 0.096 0.000 2.083 148 Q HA 0.211 4.565 4.340 0.023 0.000 0.198 148 Q C 2.556 178.593 176.000 0.062 0.000 0.969 148 Q CA 1.339 57.179 55.803 0.061 0.000 0.838 148 Q CB -0.500 28.260 28.738 0.037 0.000 0.900 148 Q HN 0.713 nan 8.270 nan 0.000 0.436 149 A N 0.294 123.161 122.820 0.080 0.000 1.969 149 A HA -0.157 4.177 4.320 0.023 0.000 0.218 149 A C 1.819 179.477 177.584 0.123 0.000 1.169 149 A CA 0.878 52.962 52.037 0.079 0.000 0.635 149 A CB -0.634 18.409 19.000 0.072 0.000 0.810 149 A HN 0.465 nan 8.150 nan 0.000 0.445 150 F N 0.644 120.593 119.950 -0.001 0.000 2.293 150 F HA -0.097 4.444 4.527 0.023 0.000 0.300 150 F C 2.140 177.940 175.800 0.000 0.000 1.086 150 F CA 1.851 59.851 58.000 0.000 0.000 1.375 150 F CB -0.266 38.733 39.000 -0.002 0.000 1.045 150 F HN 0.332 nan 8.300 nan 0.000 0.516 151 Q N 0.611 120.357 119.800 -0.090 0.000 2.172 151 Q HA -0.083 4.271 4.340 0.023 0.000 0.200 151 Q C 2.223 178.135 176.000 -0.146 0.000 0.964 151 Q CA 1.464 57.157 55.803 -0.184 0.000 0.855 151 Q CB -0.181 28.515 28.738 -0.070 0.000 0.918 151 Q HN 0.390 nan 8.270 nan 0.000 0.444 152 R N -0.410 120.046 120.500 -0.073 0.000 2.096 152 R HA -0.159 4.194 4.340 0.023 0.000 0.235 152 R C 2.322 178.582 176.300 -0.066 0.000 1.127 152 R CA 1.569 57.637 56.100 -0.053 0.000 0.968 152 R CB -0.202 30.088 30.300 -0.016 0.000 0.861 152 R HN 0.400 nan 8.270 nan 0.000 0.440 153 Q N 0.913 120.666 119.800 -0.077 0.000 1.921 153 Q HA -0.153 4.201 4.340 0.023 0.000 0.208 153 Q C 2.124 178.048 176.000 -0.126 0.000 0.994 153 Q CA 1.592 57.352 55.803 -0.071 0.000 0.857 153 Q CB -0.155 28.555 28.738 -0.048 0.000 0.925 153 Q HN 0.275 nan 8.270 nan 0.000 0.421 154 L N 0.135 121.197 121.223 -0.268 0.000 2.123 154 L HA -0.323 4.031 4.340 0.023 0.000 0.217 154 L C 2.436 179.228 176.870 -0.131 0.000 1.081 154 L CA 1.796 56.490 54.840 -0.242 0.000 0.772 154 L CB -0.937 40.896 42.059 -0.375 0.000 0.890 154 L HN 0.425 nan 8.230 nan 0.000 0.437 155 T N -0.552 113.933 114.554 -0.114 0.000 2.812 155 T HA -0.072 4.292 4.350 0.023 0.000 0.264 155 T C 1.953 176.624 174.700 -0.049 0.000 1.042 155 T CA 1.224 63.278 62.100 -0.077 0.000 1.140 155 T CB -0.156 68.662 68.868 -0.084 0.000 0.870 155 T HN 0.475 nan 8.240 nan 0.000 0.445 156 A N 0.746 123.542 122.820 -0.040 0.000 2.016 156 A HA 0.217 4.551 4.320 0.023 0.000 0.217 156 A C 2.254 179.839 177.584 0.002 0.000 1.162 156 A CA 0.667 52.695 52.037 -0.014 0.000 0.662 156 A CB -0.656 18.340 19.000 -0.007 0.000 0.812 156 A HN 0.425 nan 8.150 nan 0.000 0.450 157 L N -0.604 120.621 121.223 0.002 0.000 2.027 157 L HA -0.143 4.210 4.340 0.023 0.000 0.206 157 L C 2.381 179.235 176.870 -0.026 0.000 1.074 157 L CA 1.327 56.194 54.840 0.045 0.000 0.745 157 L CB -0.319 41.781 42.059 0.067 0.000 0.898 157 L HN 0.384 nan 8.230 nan 0.000 0.433 158 I N -0.931 119.596 120.570 -0.071 0.000 2.406 158 I HA -0.092 4.092 4.170 0.023 0.000 0.249 158 I C 1.630 177.696 176.117 -0.085 0.000 1.122 158 I CA 0.959 62.180 61.300 -0.132 0.000 1.431 158 I CB -0.388 37.574 38.000 -0.064 0.000 1.087 158 I HN 0.469 nan 8.210 nan 0.000 0.424 159 G N 0.309 109.098 108.800 -0.019 0.000 2.136 159 G HA2 -0.324 3.649 3.960 0.023 0.000 0.242 159 G HA3 -0.324 3.649 3.960 0.023 0.000 0.242 159 G C -0.054 174.915 174.900 0.115 0.000 0.989 159 G CA 0.259 45.376 45.100 0.028 0.000 0.682 159 G HN 0.431 nan 8.290 nan 0.000 0.522 160 Y N -0.263 120.006 120.300 -0.053 0.000 2.565 160 Y HA 0.519 5.083 4.550 0.023 0.000 0.330 160 Y C -1.758 174.112 175.900 -0.049 0.000 1.150 160 Y CA -1.064 57.012 58.100 -0.041 0.000 1.055 160 Y CB 1.874 40.315 38.460 -0.031 0.000 1.337 160 Y HN 0.053 nan 8.280 nan 0.000 0.457 161 D N 4.083 124.108 120.400 -0.624 0.000 2.412 161 D HA 0.213 4.866 4.640 0.023 0.000 0.224 161 D C 0.476 176.605 176.300 -0.287 0.000 1.093 161 D CA -0.056 53.721 54.000 -0.371 0.000 0.850 161 D CB 1.656 42.248 40.800 -0.347 0.000 1.046 161 D HN 0.560 nan 8.370 nan 0.000 0.507 162 V N 2.198 122.096 119.914 -0.026 0.000 3.633 162 V HA 0.093 4.227 4.120 0.023 0.000 0.283 162 V C 1.329 177.430 176.094 0.011 0.000 1.305 162 V CA 1.120 63.465 62.300 0.075 0.000 1.153 162 V CB -0.533 31.347 31.823 0.095 0.000 0.950 162 V HN 0.596 nan 8.190 nan 0.000 0.432 163 T N -4.174 110.358 114.554 -0.037 0.000 3.015 163 T HA 0.086 4.450 4.350 0.023 0.000 0.250 163 T C 0.820 175.496 174.700 -0.039 0.000 1.057 163 T CA 0.328 62.410 62.100 -0.030 0.000 1.066 163 T CB -0.279 68.567 68.868 -0.036 0.000 0.959 163 T HN 0.505 nan 8.240 nan 0.000 0.488 164 D N 1.695 122.048 120.400 -0.078 0.000 2.583 164 D HA -0.026 4.627 4.640 0.023 0.000 0.232 164 D C -0.031 176.247 176.300 -0.037 0.000 1.128 164 D CA 0.457 54.404 54.000 -0.087 0.000 0.859 164 D CB 0.774 41.465 40.800 -0.182 0.000 1.169 164 D HN 0.195 nan 8.370 nan 0.000 0.481 165 V N 3.497 123.397 119.914 -0.025 0.000 2.841 165 V HA -0.026 4.107 4.120 0.023 0.000 0.363 165 V C 1.565 177.656 176.094 -0.006 0.000 1.330 165 V CA 0.117 62.415 62.300 -0.004 0.000 1.207 165 V CB 0.173 32.000 31.823 0.007 0.000 1.318 165 V HN 0.605 nan 8.190 nan 0.000 0.603 166 S N -0.031 115.658 115.700 -0.019 0.000 2.388 166 S HA -0.037 4.447 4.470 0.023 0.000 0.223 166 S C 1.317 175.905 174.600 -0.020 0.000 1.034 166 S CA 1.159 59.344 58.200 -0.026 0.000 0.963 166 S CB -0.293 62.880 63.200 -0.046 0.000 0.827 166 S HN 0.525 nan 8.310 nan 0.000 0.481 167 N N 1.199 119.895 118.700 -0.008 0.000 2.758 167 N HA 0.387 5.141 4.740 0.023 0.000 0.293 167 N C -1.260 174.252 175.510 0.003 0.000 1.273 167 N CA -0.189 52.857 53.050 -0.006 0.000 1.022 167 N CB 0.260 38.751 38.487 0.005 0.000 1.334 167 N HN 0.234 nan 8.380 nan 0.000 0.519 168 V N 1.003 120.921 119.914 0.007 0.000 3.007 168 V HA 0.340 4.473 4.120 0.023 0.000 0.311 168 V C 0.069 176.183 176.094 0.034 0.000 1.120 168 V CA -0.728 61.551 62.300 -0.035 0.000 0.980 168 V CB 2.063 33.870 31.823 -0.027 0.000 1.033 168 V HN 0.612 nan 8.190 nan 0.000 0.429 169 H N 1.276 120.416 119.070 0.117 0.000 3.052 169 H HA 0.413 4.982 4.556 0.022 0.000 0.257 169 H C -0.605 174.832 175.328 0.183 0.000 1.193 169 H CA -0.044 56.095 56.048 0.152 0.000 1.072 169 H CB 1.046 30.950 29.762 0.236 0.000 1.685 169 H HN 0.720 nan 8.280 nan 0.000 0.630 170 D N 0.883 121.328 120.400 0.076 0.000 2.865 170 D HA -0.062 4.591 4.640 0.023 0.000 0.343 170 D C -0.799 175.561 176.300 0.099 0.000 1.372 170 D CA -0.288 53.804 54.000 0.154 0.000 0.862 170 D CB 0.546 41.497 40.800 0.252 0.000 1.425 170 D HN 0.102 nan 8.370 nan 0.000 0.501 171 D N -0.585 119.913 120.400 0.164 0.000 2.755 171 D HA 0.088 4.742 4.640 0.023 0.000 0.257 171 D C 0.492 176.839 176.300 0.078 0.000 1.291 171 D CA -0.269 53.815 54.000 0.139 0.000 0.836 171 D CB 0.399 41.310 40.800 0.184 0.000 1.059 171 D HN 0.460 nan 8.370 nan 0.000 0.486 172 E N 0.599 120.787 120.200 -0.020 0.000 2.017 172 E HA -0.120 4.244 4.350 0.023 0.000 0.193 172 E C 2.105 178.703 176.600 -0.004 0.000 0.997 172 E CA 0.784 57.028 56.400 -0.260 0.000 0.804 172 E CB 0.087 29.779 29.700 -0.013 0.000 0.757 172 E HN 0.345 nan 8.360 nan 0.000 0.448 173 L N 1.046 122.286 121.223 0.029 0.000 2.021 173 L HA -0.257 4.097 4.340 0.023 0.000 0.215 173 L C 2.656 179.541 176.870 0.025 0.000 1.074 173 L CA 1.337 56.151 54.840 -0.043 0.000 0.760 173 L CB -0.533 41.462 42.059 -0.106 0.000 0.889 173 L HN 0.121 nan 8.230 nan 0.000 0.433 174 E N -0.398 119.838 120.200 0.059 0.000 2.072 174 E HA -0.188 4.176 4.350 0.023 0.000 0.190 174 E C 2.095 178.764 176.600 0.115 0.000 0.982 174 E CA 1.075 57.523 56.400 0.080 0.000 0.803 174 E CB -0.194 29.561 29.700 0.090 0.000 0.755 174 E HN 0.376 nan 8.360 nan 0.000 0.453 175 F N 1.701 121.649 119.950 -0.004 0.000 2.126 175 F HA -0.228 4.313 4.527 0.023 0.000 0.299 175 F C 2.377 178.185 175.800 0.013 0.000 1.096 175 F CA 1.822 59.834 58.000 0.019 0.000 1.255 175 F CB -0.307 38.691 39.000 -0.003 0.000 0.997 175 F HN -0.020 nan 8.300 nan 0.000 0.479 176 T N 0.222 114.872 114.554 0.160 0.000 2.777 176 T HA -0.161 4.203 4.350 0.023 0.000 0.266 176 T C 2.007 176.728 174.700 0.034 0.000 1.040 176 T CA 1.402 63.563 62.100 0.101 0.000 1.141 176 T CB -0.294 68.654 68.868 0.133 0.000 0.868 176 T HN 0.239 nan 8.240 nan 0.000 0.444 177 R N 0.727 121.241 120.500 0.024 0.000 2.117 177 R HA -0.052 4.302 4.340 0.023 0.000 0.243 177 R C 2.650 178.941 176.300 -0.014 0.000 1.143 177 R CA 1.292 57.398 56.100 0.010 0.000 0.968 177 R CB -0.234 30.073 30.300 0.011 0.000 0.863 177 R HN 0.290 nan 8.270 nan 0.000 0.444 178 R N 0.305 120.773 120.500 -0.052 0.000 2.153 178 R HA -0.046 4.307 4.340 0.023 0.000 0.218 178 R C 2.135 178.357 176.300 -0.130 0.000 1.072 178 R CA 1.149 57.189 56.100 -0.099 0.000 0.990 178 R CB -0.133 30.077 30.300 -0.150 0.000 0.889 178 R HN 0.285 nan 8.270 nan 0.000 0.452 179 G N 0.702 109.419 108.800 -0.139 0.000 2.421 179 G HA2 -0.144 3.830 3.960 0.023 0.000 0.217 179 G HA3 -0.144 3.830 3.960 0.023 0.000 0.217 179 G C 1.297 176.184 174.900 -0.022 0.000 1.143 179 G CA 0.196 45.237 45.100 -0.099 0.000 0.784 179 G HN 0.231 nan 8.290 nan 0.000 0.541 180 L N 0.640 121.862 121.223 -0.000 0.000 2.554 180 L HA 0.082 4.436 4.340 0.023 0.000 0.226 180 L C 2.589 179.469 176.870 0.016 0.000 1.137 180 L CA -0.302 54.553 54.840 0.025 0.000 0.863 180 L CB 0.093 42.177 42.059 0.042 0.000 0.985 180 L HN 0.043 nan 8.230 nan 0.000 0.451 181 V N -0.369 119.543 119.914 -0.002 0.000 2.270 181 V HA -0.268 3.866 4.120 0.023 0.000 0.245 181 V C 2.524 178.617 176.094 -0.001 0.000 1.043 181 V CA 2.351 64.650 62.300 -0.002 0.000 1.014 181 V CB -0.630 31.186 31.823 -0.013 0.000 0.645 181 V HN 0.446 nan 8.190 nan 0.000 0.447 182 T N 1.190 115.741 114.554 -0.005 0.000 2.607 182 T HA -0.130 4.233 4.350 0.023 0.000 0.267 182 T C 0.037 174.743 174.700 0.010 0.000 1.049 182 T CA 2.283 64.383 62.100 0.000 0.000 1.162 182 T CB -1.474 67.394 68.868 0.000 0.000 0.863 182 T HN 0.492 nan 8.240 nan 0.000 0.424 183 P HA -0.078 nan 4.420 nan 0.000 0.220 183 P C 1.418 178.731 177.300 0.023 0.000 1.148 183 P CA 1.182 64.299 63.100 0.029 0.000 0.803 183 P CB -0.030 31.698 31.700 0.046 0.000 0.782 184 R N 0.256 120.767 120.500 0.019 0.000 2.064 184 R HA -0.018 4.336 4.340 0.023 0.000 0.228 184 R C 2.454 178.749 176.300 -0.010 0.000 1.144 184 R CA 1.725 57.832 56.100 0.010 0.000 0.932 184 R CB -0.752 29.556 30.300 0.013 0.000 0.833 184 R HN -0.011 nan 8.270 nan 0.000 0.429 185 M N 0.685 120.278 119.600 -0.011 0.000 2.144 185 M HA -0.187 4.307 4.480 0.023 0.000 0.260 185 M C 2.492 178.778 176.300 -0.022 0.000 1.067 185 M CA 1.830 57.117 55.300 -0.020 0.000 1.095 185 M CB -0.632 31.959 32.600 -0.015 0.000 1.365 185 M HN 0.401 nan 8.290 nan 0.000 0.406 186 A N 0.384 123.198 122.820 -0.010 0.000 1.873 186 A HA -0.230 4.103 4.320 0.023 0.000 0.218 186 A C 2.028 179.602 177.584 -0.016 0.000 1.193 186 A CA 2.315 54.348 52.037 -0.007 0.000 0.629 186 A CB -0.733 18.272 19.000 0.008 0.000 0.826 186 A HN 0.464 nan 8.150 nan 0.000 0.447 187 E N -0.668 119.522 120.200 -0.018 0.000 2.158 187 E HA -0.042 4.322 4.350 0.023 0.000 0.191 187 E C 1.804 178.358 176.600 -0.077 0.000 0.982 187 E CA 0.946 57.327 56.400 -0.032 0.000 0.823 187 E CB -0.192 29.498 29.700 -0.017 0.000 0.766 187 E HN 0.238 nan 8.360 nan 0.000 0.468 188 V N 0.641 120.504 119.914 -0.085 0.000 2.469 188 V HA -0.259 3.875 4.120 0.023 0.000 0.251 188 V C 2.193 178.225 176.094 -0.105 0.000 1.064 188 V CA 1.793 64.018 62.300 -0.125 0.000 1.066 188 V CB -0.687 31.076 31.823 -0.099 0.000 0.667 188 V HN 0.422 nan 8.190 nan 0.000 0.461 189 A N -1.669 121.111 122.820 -0.066 0.000 2.119 189 A HA -0.096 4.238 4.320 0.023 0.000 0.216 189 A C 2.436 179.992 177.584 -0.047 0.000 1.152 189 A CA 1.710 53.717 52.037 -0.051 0.000 0.708 189 A CB -0.271 18.710 19.000 -0.032 0.000 0.805 189 A HN 0.441 nan 8.150 nan 0.000 0.460 190 S N -0.692 114.978 115.700 -0.050 0.000 2.441 190 S HA 0.056 4.540 4.470 0.023 0.000 0.224 190 S C 1.182 175.759 174.600 -0.039 0.000 1.043 190 S CA -0.168 58.012 58.200 -0.033 0.000 0.948 190 S CB -0.133 63.056 63.200 -0.017 0.000 0.810 190 S HN 0.769 nan 8.310 nan 0.000 0.504 191 R N 1.624 122.078 120.500 -0.077 0.000 2.641 191 R HA 0.213 4.566 4.340 0.023 0.000 0.269 191 R C -0.744 175.529 176.300 -0.043 0.000 1.074 191 R CA -0.293 55.764 56.100 -0.072 0.000 1.133 191 R CB 0.150 30.342 30.300 -0.180 0.000 1.029 191 R HN 0.013 nan 8.270 nan 0.000 0.488 192 D N 3.105 123.514 120.400 0.014 0.000 2.352 192 D HA 0.115 4.769 4.640 0.023 0.000 0.245 192 D C -1.610 174.728 176.300 0.065 0.000 1.224 192 D CA -2.444 51.575 54.000 0.032 0.000 0.879 192 D CB 1.440 42.268 40.800 0.047 0.000 1.057 192 D HN 0.328 nan 8.370 nan 0.000 0.491 193 P HA -0.205 nan 4.420 nan 0.000 0.216 193 P C 1.351 178.712 177.300 0.102 0.000 1.153 193 P CA 1.298 64.442 63.100 0.072 0.000 0.858 193 P CB 0.201 31.915 31.700 0.023 0.000 0.789 194 K N 0.247 120.677 120.400 0.050 0.000 1.984 194 K HA -0.127 4.207 4.320 0.023 0.000 0.209 194 K C 2.006 178.615 176.600 0.016 0.000 1.046 194 K CA 1.549 57.844 56.287 0.013 0.000 0.934 194 K CB -0.951 31.549 32.500 -0.000 0.000 0.717 194 K HN 0.125 nan 8.250 nan 0.000 0.438 195 L N 0.288 121.545 121.223 0.055 0.000 2.141 195 L HA -0.164 4.190 4.340 0.023 0.000 0.209 195 L C 2.681 179.623 176.870 0.120 0.000 1.094 195 L CA 1.179 56.061 54.840 0.070 0.000 0.763 195 L CB -0.582 41.529 42.059 0.087 0.000 0.908 195 L HN 0.240 nan 8.230 nan 0.000 0.437 196 Y N 0.785 121.100 120.300 0.026 0.000 2.181 196 Y HA -0.298 4.266 4.550 0.022 0.000 0.288 196 Y C 2.462 178.401 175.900 0.065 0.000 1.146 196 Y CA 1.294 59.423 58.100 0.047 0.000 1.164 196 Y CB -0.315 38.159 38.460 0.023 0.000 0.982 196 Y HN 0.109 nan 8.280 nan 0.000 0.515 197 A N -0.387 122.437 122.820 0.007 0.000 1.969 197 A HA -0.157 4.177 4.320 0.023 0.000 0.218 197 A C 2.160 179.697 177.584 -0.079 0.000 1.169 197 A CA 1.955 53.936 52.037 -0.093 0.000 0.635 197 A CB -0.620 18.343 19.000 -0.061 0.000 0.810 197 A HN 0.578 nan 8.150 nan 0.000 0.445 198 M N -0.742 118.755 119.600 -0.173 0.000 2.492 198 M HA 0.058 4.552 4.480 0.023 0.000 0.255 198 M C 0.234 176.285 176.300 -0.415 0.000 1.139 198 M CA 0.452 55.489 55.300 -0.439 0.000 1.096 198 M CB 0.074 32.306 32.600 -0.613 0.000 1.360 198 M HN 0.729 nan 8.290 nan 0.000 0.480 199 H N -0.927 118.117 119.070 -0.043 0.000 2.415 199 H HA -0.085 4.485 4.556 0.023 0.000 0.323 199 H C -2.552 172.860 175.328 0.141 0.000 1.035 199 H CA -0.217 55.841 56.048 0.016 0.000 1.098 199 H CB -2.339 27.383 29.762 -0.067 0.000 1.575 199 H HN 0.197 nan 8.280 nan 0.000 0.387 200 P HA -0.080 nan 4.420 nan 0.000 0.262 200 P C 0.403 177.893 177.300 0.316 0.000 1.199 200 P CA 0.082 63.334 63.100 0.253 0.000 0.763 200 P CB 0.295 32.197 31.700 0.336 0.000 0.790 201 W N 6.159 127.554 121.300 0.159 0.000 2.419 201 W HA 0.337 5.010 4.660 0.022 0.000 0.312 201 W C -1.295 175.266 176.519 0.069 0.000 1.323 201 W CA -0.270 57.151 57.345 0.127 0.000 1.293 201 W CB 0.078 29.630 29.460 0.152 0.000 1.324 201 W HN 0.103 nan 8.180 nan 0.000 0.512 202 V N 5.581 125.664 119.914 0.280 0.000 3.049 202 V HA 0.548 4.682 4.120 0.023 0.000 0.309 202 V C -0.275 175.820 176.094 0.001 0.000 1.148 202 V CA -0.696 61.560 62.300 -0.073 0.000 0.990 202 V CB 2.428 34.132 31.823 -0.198 0.000 1.039 202 V HN 0.476 nan 8.190 nan 0.000 0.430 203 T N 1.036 115.535 114.554 -0.092 0.000 2.907 203 T HA 0.526 4.890 4.350 0.023 0.000 0.290 203 T C 0.248 174.923 174.700 -0.042 0.000 1.066 203 T CA 0.007 62.094 62.100 -0.023 0.000 1.012 203 T CB 2.037 70.895 68.868 -0.016 0.000 1.184 203 T HN 0.600 nan 8.240 nan 0.000 0.522 204 S N 0.632 116.331 115.700 -0.001 0.000 2.666 204 S HA 0.294 4.777 4.470 0.023 0.000 0.239 204 S C 0.276 174.881 174.600 0.009 0.000 1.031 204 S CA -0.390 57.808 58.200 -0.003 0.000 1.015 204 S CB 0.217 63.424 63.200 0.012 0.000 0.981 204 S HN 0.561 nan 8.310 nan 0.000 0.547 205 K N 3.166 123.574 120.400 0.013 0.000 2.380 205 K HA 0.164 4.498 4.320 0.023 0.000 0.267 205 K C -2.366 174.237 176.600 0.005 0.000 0.990 205 K CA -1.132 55.165 56.287 0.015 0.000 0.946 205 K CB 0.070 32.582 32.500 0.020 0.000 0.937 205 K HN 0.108 nan 8.250 nan 0.000 0.491 206 P HA 0.006 nan 4.420 nan 0.000 0.274 206 P C -0.678 176.619 177.300 -0.004 0.000 1.237 206 P CA -0.310 62.814 63.100 0.040 0.000 0.793 206 P CB 0.561 32.301 31.700 0.068 0.000 0.977 207 L N 3.381 124.595 121.223 -0.014 0.000 2.360 207 L HA 0.251 4.605 4.340 0.023 0.000 0.276 207 L C -1.720 175.061 176.870 -0.148 0.000 1.121 207 L CA -1.760 52.955 54.840 -0.208 0.000 0.845 207 L CB 0.554 42.296 42.059 -0.530 0.000 1.143 207 L HN 0.327 nan 8.230 nan 0.000 0.452 208 P HA -0.006 nan 4.420 nan 0.000 0.274 208 P C -0.033 177.128 177.300 -0.232 0.000 1.260 208 P CA -0.277 62.655 63.100 -0.280 0.000 0.793 208 P CB 0.691 32.032 31.700 -0.598 0.000 1.048 209 E N -0.069 120.089 120.200 -0.069 0.000 2.107 209 E HA -0.193 4.171 4.350 0.023 0.000 0.191 209 E C 1.786 178.414 176.600 0.047 0.000 0.982 209 E CA 0.868 57.325 56.400 0.095 0.000 0.809 209 E CB -0.472 29.305 29.700 0.128 0.000 0.756 209 E HN 0.552 nan 8.360 nan 0.000 0.459 210 Y N -0.732 119.612 120.300 0.072 0.000 2.497 210 Y HA -0.003 4.560 4.550 0.022 0.000 0.292 210 Y C 1.567 177.466 175.900 -0.002 0.000 1.137 210 Y CA 0.497 58.619 58.100 0.035 0.000 1.285 210 Y CB -0.340 38.135 38.460 0.024 0.000 0.991 210 Y HN -0.020 nan 8.280 nan 0.000 0.556 211 L N -2.413 118.620 121.223 -0.317 0.000 2.590 211 L HA 0.128 4.481 4.340 0.023 0.000 0.227 211 L C 1.658 178.392 176.870 -0.228 0.000 1.099 211 L CA 0.015 54.699 54.840 -0.261 0.000 0.872 211 L CB -0.317 41.501 42.059 -0.402 0.000 1.088 211 L HN 0.237 nan 8.230 nan 0.000 0.479 212 W N 0.804 122.023 121.300 -0.135 0.000 2.409 212 W HA -0.073 4.600 4.660 0.022 0.000 0.299 212 W C 2.292 178.779 176.519 -0.054 0.000 1.203 212 W CA 0.237 57.530 57.345 -0.087 0.000 1.298 212 W CB 0.242 29.654 29.460 -0.080 0.000 1.127 212 W HN -0.144 nan 8.180 nan 0.000 0.528 213 K N 0.921 121.438 120.400 0.194 0.000 2.589 213 K HA -0.130 4.204 4.320 0.023 0.000 0.195 213 K C 1.094 177.740 176.600 0.077 0.000 1.040 213 K CA 1.064 57.423 56.287 0.120 0.000 0.950 213 K CB -0.102 32.458 32.500 0.100 0.000 0.781 213 K HN 0.320 nan 8.250 nan 0.000 0.486 214 K N -0.427 120.005 120.400 0.053 0.000 2.370 214 K HA 0.187 4.520 4.320 0.023 0.000 0.194 214 K C 0.476 177.080 176.600 0.008 0.000 1.070 214 K CA 0.154 56.447 56.287 0.010 0.000 0.998 214 K CB 0.692 33.170 32.500 -0.037 0.000 0.911 214 K HN -0.010 nan 8.250 nan 0.000 0.533 215 I N 1.440 122.033 120.570 0.039 0.000 2.517 215 I HA 0.189 4.373 4.170 0.023 0.000 0.289 215 I C 0.279 176.481 176.117 0.141 0.000 1.149 215 I CA -0.306 61.031 61.300 0.062 0.000 1.189 215 I CB 1.174 39.203 38.000 0.048 0.000 1.641 215 I HN -0.087 nan 8.210 nan 0.000 0.560 216 A N 4.160 127.031 122.820 0.085 0.000 2.604 216 A HA 0.144 4.478 4.320 0.023 0.000 0.248 216 A C 0.829 178.441 177.584 0.047 0.000 1.466 216 A CA 0.295 52.377 52.037 0.074 0.000 1.222 216 A CB -1.089 17.942 19.000 0.052 0.000 0.945 216 A HN 0.857 nan 8.150 nan 0.000 0.600 217 N N -2.263 116.469 118.700 0.052 0.000 1.961 217 N HA -0.083 4.671 4.740 0.023 0.000 0.219 217 N C -0.123 175.394 175.510 0.013 0.000 1.432 217 N CA 0.104 53.164 53.050 0.017 0.000 0.747 217 N CB -1.277 37.209 38.487 -0.001 0.000 1.121 217 N HN 0.207 nan 8.380 nan 0.000 0.575 218 N N -0.016 118.724 118.700 0.068 0.000 2.714 218 N HA -0.239 4.515 4.740 0.023 0.000 0.252 218 N C -1.401 174.112 175.510 0.005 0.000 1.014 218 N CA 1.205 54.305 53.050 0.084 0.000 0.735 218 N CB -1.237 37.272 38.487 0.037 0.000 0.924 218 N HN 0.648 nan 8.380 nan 0.000 0.540 219 C N 1.144 120.412 119.300 -0.054 0.000 2.891 219 C HA 0.761 5.235 4.460 0.023 0.000 0.342 219 C C -0.818 173.991 174.990 -0.301 0.000 1.126 219 C CA -0.728 58.174 59.018 -0.194 0.000 1.322 219 C CB 1.414 28.997 27.740 -0.262 0.000 1.763 219 C HN 0.323 nan 8.230 nan 0.000 0.491 220 I N 4.841 125.197 120.570 -0.357 0.000 2.571 220 I HA 0.419 4.603 4.170 0.023 0.000 0.289 220 I C -0.804 175.130 176.117 -0.305 0.000 1.115 220 I CA -0.165 60.953 61.300 -0.303 0.000 1.045 220 I CB 1.518 39.428 38.000 -0.149 0.000 1.238 220 I HN 0.552 nan 8.210 nan 0.000 0.424 221 F N 6.497 126.427 119.950 -0.034 0.000 2.385 221 F HA 0.565 5.105 4.527 0.023 0.000 0.336 221 F C 0.170 175.930 175.800 -0.067 0.000 1.100 221 F CA -0.526 57.447 58.000 -0.046 0.000 1.116 221 F CB 1.126 40.099 39.000 -0.046 0.000 1.166 221 F HN 0.129 nan 8.300 nan 0.000 0.511 222 I N 3.420 124.073 120.570 0.139 0.000 2.478 222 I HA 0.247 4.431 4.170 0.023 0.000 0.287 222 I C -1.145 174.937 176.117 -0.060 0.000 1.042 222 I CA -0.872 60.432 61.300 0.008 0.000 1.067 222 I CB 2.017 40.008 38.000 -0.015 0.000 1.233 222 I HN 0.157 nan 8.210 nan 0.000 0.431 223 V N 7.084 126.892 119.914 -0.176 0.000 2.304 223 V HA 0.346 4.480 4.120 0.023 0.000 0.262 223 V C 0.427 176.470 176.094 -0.084 0.000 1.061 223 V CA -0.297 61.858 62.300 -0.241 0.000 0.872 223 V CB 0.199 31.695 31.823 -0.544 0.000 1.077 223 V HN 0.462 nan 8.190 nan 0.000 0.480 224 I N 4.652 125.158 120.570 -0.108 0.000 2.519 224 I HA 0.408 4.592 4.170 0.023 0.000 0.287 224 I C -0.009 176.061 176.117 -0.079 0.000 1.047 224 I CA -0.293 60.964 61.300 -0.071 0.000 1.381 224 I CB 0.735 38.563 38.000 -0.287 0.000 1.417 224 I HN 0.565 nan 8.210 nan 0.000 0.540 225 H N 4.088 123.098 119.070 -0.101 0.000 2.679 225 H HA 0.530 5.099 4.556 0.023 0.000 0.367 225 H C 0.143 175.424 175.328 -0.078 0.000 1.162 225 H CA -0.726 55.290 56.048 -0.053 0.000 1.181 225 H CB 1.704 31.458 29.762 -0.013 0.000 1.693 225 H HN 0.379 nan 8.280 nan 0.000 0.538 226 R N 0.686 121.225 120.500 0.066 0.000 1.756 226 R HA 0.304 4.658 4.340 0.023 0.000 0.130 226 R C 1.282 177.610 176.300 0.045 0.000 2.102 226 R CA 0.589 56.702 56.100 0.022 0.000 1.775 226 R CB -0.282 30.021 30.300 0.006 0.000 1.379 226 R HN 0.628 nan 8.270 nan 0.000 0.484 227 S N 0.145 115.870 115.700 0.043 0.000 2.321 227 S HA -0.034 4.449 4.470 0.023 0.000 0.188 227 S C 0.884 175.518 174.600 0.056 0.000 1.080 227 S CA 1.495 59.721 58.200 0.043 0.000 1.198 227 S CB -0.418 62.804 63.200 0.037 0.000 0.926 227 S HN 0.659 nan 8.310 nan 0.000 0.426 228 T N 0.944 115.529 114.554 0.052 0.000 3.516 228 T HA 0.513 4.877 4.350 0.023 0.000 0.245 228 T C -0.703 174.023 174.700 0.042 0.000 1.077 228 T CA -0.600 61.540 62.100 0.066 0.000 1.222 228 T CB 0.060 68.960 68.868 0.054 0.000 1.045 228 T HN 0.184 nan 8.240 nan 0.000 0.585 229 T N 1.766 116.339 114.554 0.031 0.000 2.876 229 T HA 0.802 5.166 4.350 0.023 0.000 0.289 229 T C -0.486 174.182 174.700 -0.052 0.000 1.014 229 T CA -0.797 61.299 62.100 -0.007 0.000 0.986 229 T CB 1.890 70.759 68.868 0.001 0.000 1.021 229 T HN 0.640 nan 8.240 nan 0.000 0.458 230 S N 1.863 117.495 115.700 -0.112 0.000 2.570 230 S HA 0.819 5.303 4.470 0.023 0.000 0.270 230 S C -1.591 172.915 174.600 -0.155 0.000 1.149 230 S CA -0.913 57.151 58.200 -0.227 0.000 0.837 230 S CB 2.544 65.408 63.200 -0.559 0.000 1.124 230 S HN 0.664 nan 8.310 nan 0.000 0.465 231 Q N -0.202 119.512 119.800 -0.144 0.000 2.534 231 Q HA 0.667 5.020 4.340 0.023 0.000 0.290 231 Q C -1.700 174.247 176.000 -0.088 0.000 0.991 231 Q CA -0.302 55.447 55.803 -0.090 0.000 0.783 231 Q CB 2.307 31.025 28.738 -0.034 0.000 1.470 231 Q HN 0.876 nan 8.270 nan 0.000 0.406 232 T N 1.784 116.293 114.554 -0.075 0.000 2.824 232 T HA 0.725 5.088 4.350 0.023 0.000 0.280 232 T C -0.651 174.072 174.700 0.039 0.000 0.995 232 T CA -0.300 61.766 62.100 -0.058 0.000 1.009 232 T CB 0.509 69.282 68.868 -0.157 0.000 0.955 232 T HN 0.403 nan 8.240 nan 0.000 0.452 233 I N 2.303 122.938 120.570 0.107 0.000 2.530 233 I HA 0.337 4.520 4.170 0.023 0.000 0.297 233 I C 0.238 176.484 176.117 0.214 0.000 1.011 233 I CA -0.636 60.746 61.300 0.136 0.000 1.107 233 I CB 1.698 39.758 38.000 0.099 0.000 1.285 233 I HN 0.352 nan 8.210 nan 0.000 0.436 234 K N 4.479 124.978 120.400 0.165 0.000 2.285 234 K HA 0.612 4.945 4.320 0.023 0.000 0.286 234 K C -1.187 175.410 176.600 -0.005 0.000 1.072 234 K CA -0.311 56.020 56.287 0.073 0.000 0.913 234 K CB 1.087 33.636 32.500 0.082 0.000 1.067 234 K HN 0.307 nan 8.250 nan 0.000 0.479 235 V N 1.967 121.835 119.914 -0.077 0.000 2.841 235 V HA 0.229 4.363 4.120 0.023 0.000 0.310 235 V C -0.337 175.714 176.094 -0.072 0.000 1.090 235 V CA -0.922 61.349 62.300 -0.048 0.000 0.930 235 V CB 2.188 33.994 31.823 -0.027 0.000 1.014 235 V HN 0.881 nan 8.190 nan 0.000 0.425 236 S N 3.806 119.490 115.700 -0.025 0.000 2.541 236 S HA 0.479 4.962 4.470 0.023 0.000 0.283 236 S C -1.872 172.740 174.600 0.019 0.000 1.196 236 S CA -1.340 56.858 58.200 -0.004 0.000 1.062 236 S CB 1.651 64.861 63.200 0.018 0.000 1.009 236 S HN 0.494 nan 8.310 nan 0.000 0.502 237 P HA -0.190 nan 4.420 nan 0.000 0.219 237 P C 0.549 177.883 177.300 0.056 0.000 1.153 237 P CA 1.560 64.678 63.100 0.029 0.000 0.865 237 P CB -0.048 31.710 31.700 0.097 0.000 0.788 238 D N -1.737 118.709 120.400 0.077 0.000 2.347 238 D HA -0.021 4.633 4.640 0.023 0.000 0.213 238 D C 0.097 176.438 176.300 0.069 0.000 0.985 238 D CA 0.479 54.524 54.000 0.075 0.000 0.879 238 D CB -0.366 40.479 40.800 0.074 0.000 0.919 238 D HN 0.216 nan 8.370 nan 0.000 0.526 239 D N 2.157 122.593 120.400 0.060 0.000 2.488 239 D HA 0.009 4.663 4.640 0.023 0.000 0.238 239 D C 0.983 177.335 176.300 0.086 0.000 1.138 239 D CA 0.475 54.512 54.000 0.061 0.000 0.873 239 D CB 0.821 41.648 40.800 0.045 0.000 1.183 239 D HN 0.081 nan 8.370 nan 0.000 0.458 240 T N -0.474 114.135 114.554 0.092 0.000 2.816 240 T HA 0.290 4.654 4.350 0.023 0.000 0.282 240 T C -1.816 172.947 174.700 0.105 0.000 0.993 240 T CA -1.561 60.613 62.100 0.123 0.000 0.994 240 T CB 1.170 70.106 68.868 0.112 0.000 1.025 240 T HN -0.001 nan 8.240 nan 0.000 0.529 241 P HA 0.003 nan 4.420 nan 0.000 0.218 241 P C 1.726 179.069 177.300 0.071 0.000 1.148 241 P CA 1.182 64.314 63.100 0.053 0.000 0.822 241 P CB -0.376 31.360 31.700 0.059 0.000 0.784 242 G N 0.347 109.203 108.800 0.094 0.000 2.404 242 G HA2 -0.132 3.842 3.960 0.023 0.000 0.214 242 G HA3 -0.132 3.842 3.960 0.023 0.000 0.214 242 G C 1.031 175.992 174.900 0.102 0.000 1.189 242 G CA 0.573 45.732 45.100 0.099 0.000 0.789 242 G HN 0.373 nan 8.290 nan 0.000 0.533 243 A N -0.236 122.638 122.820 0.089 0.000 3.004 243 A HA 0.609 4.943 4.320 0.023 0.000 0.252 243 A C 0.935 178.566 177.584 0.078 0.000 1.802 243 A CA 0.167 52.254 52.037 0.083 0.000 1.424 243 A CB -0.563 18.479 19.000 0.070 0.000 1.005 243 A HN 0.396 nan 8.150 nan 0.000 0.631 244 I N -2.146 118.477 120.570 0.089 0.000 5.362 244 I HA -0.025 4.158 4.170 0.023 0.000 0.359 244 I C 1.470 177.656 176.117 0.116 0.000 1.172 244 I CA 0.175 61.520 61.300 0.075 0.000 1.577 244 I CB 0.138 38.152 38.000 0.024 0.000 1.845 244 I HN 0.408 nan 8.210 nan 0.000 0.632 245 L N 0.620 121.936 121.223 0.155 0.000 2.023 245 L HA -0.107 4.246 4.340 0.023 0.000 0.205 245 L C 2.226 179.355 176.870 0.433 0.000 1.073 245 L CA 1.566 56.585 54.840 0.298 0.000 0.745 245 L CB -0.636 41.622 42.059 0.331 0.000 0.900 245 L HN 0.225 nan 8.230 nan 0.000 0.435 246 Q N -0.041 119.935 119.800 0.293 0.000 2.234 246 Q HA -0.184 4.169 4.340 0.023 0.000 0.206 246 Q C 2.435 178.554 176.000 0.197 0.000 0.980 246 Q CA 1.796 57.745 55.803 0.243 0.000 0.869 246 Q CB -0.206 28.622 28.738 0.150 0.000 0.912 246 Q HN 0.609 nan 8.270 nan 0.000 0.436 247 S N -0.143 115.655 115.700 0.162 0.000 2.388 247 S HA -0.108 4.376 4.470 0.023 0.000 0.223 247 S C 1.744 176.395 174.600 0.086 0.000 1.034 247 S CA 0.254 58.518 58.200 0.107 0.000 0.963 247 S CB -0.405 62.847 63.200 0.086 0.000 0.827 247 S HN 0.460 nan 8.310 nan 0.000 0.481 248 F N 1.727 121.632 119.950 -0.075 0.000 2.216 248 F HA 0.162 4.703 4.527 0.023 0.000 0.300 248 F C 1.267 176.866 175.800 -0.335 0.000 1.085 248 F CA 1.055 58.906 58.000 -0.249 0.000 1.326 248 F CB -0.367 38.387 39.000 -0.409 0.000 1.027 248 F HN 0.240 nan 8.300 nan 0.000 0.497 249 F N -0.346 119.553 119.950 -0.085 0.000 2.797 249 F HA 0.071 4.611 4.527 0.023 0.000 0.302 249 F C 1.789 177.516 175.800 -0.120 0.000 1.130 249 F CA 0.609 58.505 58.000 -0.174 0.000 1.387 249 F CB -0.375 38.631 39.000 0.010 0.000 1.107 249 F HN -0.164 nan 8.300 nan 0.000 0.577 250 T N -1.549 113.026 114.554 0.036 0.000 3.069 250 T HA 0.061 4.425 4.350 0.023 0.000 0.252 250 T C 1.482 176.146 174.700 -0.060 0.000 1.053 250 T CA 0.303 62.407 62.100 0.007 0.000 0.964 250 T CB 0.059 68.949 68.868 0.036 0.000 1.005 250 T HN 0.184 nan 8.240 nan 0.000 0.532 251 K N 0.295 120.601 120.400 -0.157 0.000 2.373 251 K HA 0.355 4.688 4.320 0.023 0.000 0.200 251 K C 0.027 176.441 176.600 -0.310 0.000 1.054 251 K CA 0.011 56.182 56.287 -0.193 0.000 1.065 251 K CB 0.670 33.074 32.500 -0.161 0.000 0.886 251 K HN 0.142 nan 8.250 nan 0.000 0.546 252 M N 0.754 120.109 119.600 -0.408 0.000 2.090 252 M HA 0.351 4.844 4.480 0.023 0.000 0.277 252 M C -0.519 175.688 176.300 -0.156 0.000 0.935 252 M CA -0.275 54.807 55.300 -0.363 0.000 0.966 252 M CB 1.259 33.455 32.600 -0.673 0.000 1.635 252 M HN 0.062 nan 8.290 nan 0.000 0.446 253 A N 5.525 128.293 122.820 -0.086 0.000 2.260 253 A HA 0.226 4.560 4.320 0.023 0.000 0.208 253 A C 0.613 178.195 177.584 -0.002 0.000 1.588 253 A CA 0.882 52.904 52.037 -0.026 0.000 0.600 253 A CB -0.007 18.978 19.000 -0.025 0.000 1.142 253 A HN 0.687 nan 8.150 nan 0.000 0.494 270 F N 1.043 121.024 119.950 0.053 0.000 2.251 270 F HA 0.550 5.091 4.527 0.023 0.000 0.302 270 F C 0.547 176.382 175.800 0.059 0.000 1.143 270 F CA -0.074 57.971 58.000 0.075 0.000 1.104 270 F CB 1.008 40.094 39.000 0.143 0.000 1.516 270 F HN -0.140 nan 8.300 nan 0.000 0.511 271 V N 1.412 121.533 119.914 0.346 0.000 2.891 271 V HA 0.276 4.410 4.120 0.023 0.000 0.304 271 V C -0.828 175.356 176.094 0.149 0.000 1.171 271 V CA -0.972 61.441 62.300 0.188 0.000 0.943 271 V CB 2.165 34.065 31.823 0.128 0.000 1.037 271 V HN 0.413 nan 8.190 nan 0.000 0.427 272 L N 4.836 126.100 121.223 0.067 0.000 2.326 272 L HA 0.694 5.048 4.340 0.023 0.000 0.278 272 L C 0.109 176.980 176.870 0.001 0.000 1.092 272 L CA -0.193 54.636 54.840 -0.020 0.000 0.810 272 L CB 1.067 43.064 42.059 -0.103 0.000 1.153 272 L HN 0.699 nan 8.230 nan 0.000 0.439 273 R N 1.934 122.368 120.500 -0.111 0.000 2.698 273 R HA 0.576 4.930 4.340 0.023 0.000 0.275 273 R C -1.615 174.483 176.300 -0.336 0.000 1.001 273 R CA -0.698 55.209 56.100 -0.322 0.000 0.896 273 R CB 1.974 32.005 30.300 -0.450 0.000 1.218 273 R HN 0.338 nan 8.270 nan 0.000 0.462 274 V N 2.930 122.570 119.914 -0.456 0.000 2.715 274 V HA 0.103 4.237 4.120 0.023 0.000 0.299 274 V C 0.226 176.086 176.094 -0.389 0.000 1.054 274 V CA -0.454 61.583 62.300 -0.440 0.000 1.077 274 V CB 1.101 32.443 31.823 -0.801 0.000 0.972 274 V HN 0.807 nan 8.190 nan 0.000 0.484 275 C N 4.869 124.015 119.300 -0.257 0.000 2.657 275 C HA 0.467 4.940 4.460 0.023 0.000 0.404 275 C C 1.459 176.309 174.990 -0.233 0.000 1.369 275 C CA 0.749 59.630 59.018 -0.228 0.000 1.665 275 C CB -1.185 26.441 27.740 -0.189 0.000 2.453 275 C HN 1.333 nan 8.230 nan 0.000 0.599 276 G N 4.178 112.839 108.800 -0.232 0.000 2.141 276 G HA2 -0.185 3.788 3.960 0.023 0.000 0.242 276 G HA3 -0.185 3.788 3.960 0.023 0.000 0.242 276 G C -0.082 174.668 174.900 -0.249 0.000 0.982 276 G CA -0.184 44.795 45.100 -0.202 0.000 0.662 276 G HN 0.746 nan 8.290 nan 0.000 0.527 277 R N -0.383 119.916 120.500 -0.335 0.000 2.673 277 R HA 0.371 4.724 4.340 0.023 0.000 0.281 277 R C -1.555 174.515 176.300 -0.384 0.000 0.991 277 R CA -0.953 54.921 56.100 -0.378 0.000 0.896 277 R CB 1.371 31.338 30.300 -0.555 0.000 1.201 277 R HN 0.096 nan 8.270 nan 0.000 0.457 278 D N 2.041 122.271 120.400 -0.283 0.000 2.545 278 D HA 0.072 4.725 4.640 0.023 0.000 0.227 278 D C -0.791 175.377 176.300 -0.221 0.000 1.150 278 D CA 0.580 54.447 54.000 -0.223 0.000 1.046 278 D CB 0.283 41.045 40.800 -0.063 0.000 1.098 278 D HN 0.287 nan 8.370 nan 0.000 0.502 279 E N 1.559 121.401 120.200 -0.596 0.000 2.392 279 E HA 0.451 4.814 4.350 0.023 0.000 0.279 279 E C -1.830 174.301 176.600 -0.782 0.000 0.964 279 E CA -0.698 55.410 56.400 -0.486 0.000 0.777 279 E CB 0.863 30.308 29.700 -0.426 0.000 1.249 279 E HN 0.198 nan 8.360 nan 0.000 0.449 280 Y N 1.648 121.814 120.300 -0.224 0.000 2.544 280 Y HA 0.437 5.001 4.550 0.023 0.000 0.342 280 Y C -0.912 174.878 175.900 -0.184 0.000 1.062 280 Y CA -1.098 56.887 58.100 -0.192 0.000 1.023 280 Y CB 1.486 39.840 38.460 -0.178 0.000 1.308 280 Y HN 0.278 nan 8.280 nan 0.000 0.457 281 L N 4.325 125.465 121.223 -0.139 0.000 2.426 281 L HA 0.535 4.888 4.340 0.023 0.000 0.255 281 L C -0.653 176.091 176.870 -0.211 0.000 1.080 281 L CA -0.664 53.849 54.840 -0.546 0.000 0.960 281 L CB -0.409 41.192 42.059 -0.763 0.000 1.326 281 L HN 0.362 nan 8.230 nan 0.000 0.441 282 V N -0.701 119.257 119.914 0.073 0.000 3.001 282 V HA 1.011 5.144 4.120 0.023 0.000 0.314 282 V C 0.493 176.752 176.094 0.276 0.000 1.099 282 V CA -0.673 61.710 62.300 0.138 0.000 0.989 282 V CB 1.670 33.536 31.823 0.071 0.000 1.040 282 V HN 0.805 nan 8.190 nan 0.000 0.434 283 G N 1.670 110.587 108.800 0.196 0.000 2.699 283 G HA2 -0.043 3.931 3.960 0.023 0.000 0.686 283 G HA3 -0.043 3.931 3.960 0.023 0.000 0.686 283 G C -0.767 174.245 174.900 0.188 0.000 1.301 283 G CA -0.734 44.470 45.100 0.173 0.000 0.816 283 G HN 0.799 nan 8.290 nan 0.000 0.595 284 E N 1.325 121.594 120.200 0.115 0.000 1.861 284 E HA 0.449 4.813 4.350 0.023 0.000 0.263 284 E C 0.241 176.878 176.600 0.063 0.000 1.137 284 E CA 0.295 56.752 56.400 0.095 0.000 0.944 284 E CB 0.176 29.916 29.700 0.067 0.000 1.092 284 E HN 0.810 nan 8.360 nan 0.000 0.420 285 T N 0.279 114.883 114.554 0.082 0.000 2.982 285 T HA 0.364 4.727 4.350 0.023 0.000 0.321 285 T C -2.902 171.843 174.700 0.075 0.000 1.229 285 T CA -2.024 60.072 62.100 -0.007 0.000 1.044 285 T CB 1.899 70.625 68.868 -0.236 0.000 1.184 285 T HN -0.044 nan 8.240 nan 0.000 0.477 286 P HA 0.203 nan 4.420 nan 0.000 0.269 286 P C 1.324 178.698 177.300 0.122 0.000 1.263 286 P CA -0.582 62.567 63.100 0.082 0.000 0.813 286 P CB -0.206 31.525 31.700 0.051 0.000 0.868 287 I N 3.401 124.105 120.570 0.223 0.000 2.597 287 I HA -0.340 3.844 4.170 0.023 0.000 0.262 287 I C 1.636 177.886 176.117 0.223 0.000 1.194 287 I CA 1.644 63.168 61.300 0.372 0.000 1.437 287 I CB -0.970 37.151 38.000 0.202 0.000 1.096 287 I HN 0.183 nan 8.210 nan 0.000 0.451 288 K N 0.445 120.885 120.400 0.066 0.000 2.442 288 K HA -0.134 4.200 4.320 0.023 0.000 0.199 288 K C 0.914 177.483 176.600 -0.051 0.000 1.044 288 K CA 1.781 58.039 56.287 -0.048 0.000 0.941 288 K CB -0.653 31.773 32.500 -0.124 0.000 0.759 288 K HN 0.390 nan 8.250 nan 0.000 0.472 289 N N -0.185 118.507 118.700 -0.014 0.000 2.235 289 N HA 0.161 4.914 4.740 0.023 0.000 0.209 289 N C -1.140 174.234 175.510 -0.226 0.000 1.122 289 N CA -0.064 52.912 53.050 -0.124 0.000 0.845 289 N CB 0.222 38.612 38.487 -0.161 0.000 1.004 289 N HN 0.086 nan 8.380 nan 0.000 0.499 290 F N 0.987 120.907 119.950 -0.050 0.000 2.408 290 F HA 0.265 4.805 4.527 0.023 0.000 0.344 290 F C 1.790 177.514 175.800 -0.126 0.000 1.112 290 F CA -0.612 57.363 58.000 -0.042 0.000 1.096 290 F CB 1.379 40.393 39.000 0.022 0.000 1.129 290 F HN -0.116 nan 8.300 nan 0.000 0.486 291 Q N 3.171 122.903 119.800 -0.114 0.000 2.124 291 Q HA -0.250 4.103 4.340 0.023 0.000 0.202 291 Q C 2.193 178.077 176.000 -0.194 0.000 0.977 291 Q CA 1.466 57.027 55.803 -0.403 0.000 0.850 291 Q CB -0.337 27.647 28.738 -1.258 0.000 0.901 291 Q HN 0.877 nan 8.270 nan 0.000 0.429 292 W N 1.231 122.427 121.300 -0.172 0.000 2.374 292 W HA -0.162 4.511 4.660 0.023 0.000 0.288 292 W C 1.605 178.130 176.519 0.010 0.000 1.218 292 W CA 1.079 58.382 57.345 -0.069 0.000 1.245 292 W CB 0.187 29.631 29.460 -0.028 0.000 1.126 292 W HN -0.072 nan 8.180 nan 0.000 0.545 293 V N 1.779 121.706 119.914 0.022 0.000 2.270 293 V HA -0.283 3.850 4.120 0.023 0.000 0.245 293 V C 2.498 178.491 176.094 -0.167 0.000 1.043 293 V CA 2.082 64.339 62.300 -0.071 0.000 1.014 293 V CB -0.878 30.959 31.823 0.023 0.000 0.645 293 V HN 0.098 nan 8.190 nan 0.000 0.447 294 R N -0.514 119.895 120.500 -0.150 0.000 2.241 294 R HA -0.180 4.174 4.340 0.023 0.000 0.224 294 R C 2.181 178.369 176.300 -0.188 0.000 1.101 294 R CA 1.561 57.552 56.100 -0.181 0.000 0.995 294 R CB -0.527 29.670 30.300 -0.173 0.000 0.870 294 R HN 0.725 nan 8.270 nan 0.000 0.463 295 H N -0.026 118.841 119.070 -0.338 0.000 2.372 295 H HA -0.015 4.555 4.556 0.023 0.000 0.301 295 H C 1.950 177.027 175.328 -0.418 0.000 1.065 295 H CA 1.519 57.335 56.048 -0.387 0.000 1.364 295 H CB -0.057 29.390 29.762 -0.524 0.000 1.406 295 H HN 0.088 nan 8.280 nan 0.000 0.521 296 C N 0.613 119.605 119.300 -0.513 0.000 2.413 296 C HA -0.119 4.355 4.460 0.023 0.000 0.277 296 C C 2.789 177.604 174.990 -0.292 0.000 1.228 296 C CA 1.054 59.821 59.018 -0.418 0.000 1.731 296 C CB -1.187 26.370 27.740 -0.304 0.000 2.042 296 C HN 0.555 nan 8.230 nan 0.000 0.468 297 L N 1.022 122.105 121.223 -0.234 0.000 1.944 297 L HA -0.233 4.120 4.340 0.023 0.000 0.218 297 L C 2.626 179.397 176.870 -0.164 0.000 1.075 297 L CA 1.935 56.669 54.840 -0.176 0.000 0.767 297 L CB -1.023 40.925 42.059 -0.185 0.000 0.890 297 L HN 0.307 nan 8.230 nan 0.000 0.434 298 K N -0.011 120.288 120.400 -0.168 0.000 2.207 298 K HA -0.230 4.104 4.320 0.023 0.000 0.208 298 K C 1.149 177.652 176.600 -0.162 0.000 1.046 298 K CA 1.825 58.043 56.287 -0.115 0.000 0.929 298 K CB -0.092 32.349 32.500 -0.098 0.000 0.720 298 K HN 0.406 nan 8.250 nan 0.000 0.463 299 N N -0.955 117.588 118.700 -0.262 0.000 2.234 299 N HA 0.053 4.807 4.740 0.023 0.000 0.227 299 N C -0.022 175.394 175.510 -0.157 0.000 1.151 299 N CA 0.735 53.645 53.050 -0.233 0.000 0.865 299 N CB 1.447 39.716 38.487 -0.362 0.000 1.066 299 N HN 0.344 nan 8.380 nan 0.000 0.515 300 G N 1.640 110.363 108.800 -0.129 0.000 2.246 300 G HA2 -0.248 3.726 3.960 0.023 0.000 0.273 300 G HA3 -0.248 3.726 3.960 0.023 0.000 0.273 300 G C -0.263 174.603 174.900 -0.056 0.000 1.055 300 G CA 0.214 45.270 45.100 -0.075 0.000 0.851 300 G HN 0.380 nan 8.290 nan 0.000 0.500 301 E N -0.341 119.810 120.200 -0.083 0.000 2.263 301 E HA 0.485 4.848 4.350 0.023 0.000 0.264 301 E C -0.189 176.418 176.600 0.011 0.000 0.923 301 E CA -0.882 55.495 56.400 -0.039 0.000 0.802 301 E CB 1.386 31.033 29.700 -0.088 0.000 1.228 301 E HN 0.515 nan 8.360 nan 0.000 0.417 302 E N 1.091 121.356 120.200 0.107 0.000 2.277 302 E HA 0.308 4.672 4.350 0.023 0.000 0.274 302 E C -0.468 176.263 176.600 0.218 0.000 1.022 302 E CA -0.332 56.157 56.400 0.150 0.000 0.853 302 E CB 1.137 30.976 29.700 0.231 0.000 1.086 302 E HN 0.298 nan 8.360 nan 0.000 0.397 303 I N 3.375 123.999 120.570 0.089 0.000 2.269 303 I HA 0.143 4.326 4.170 0.023 0.000 0.293 303 I C -0.498 175.664 176.117 0.074 0.000 1.106 303 I CA -0.373 61.008 61.300 0.136 0.000 1.248 303 I CB -0.235 37.807 38.000 0.069 0.000 1.444 303 I HN 0.396 nan 8.210 nan 0.000 0.497 304 H N 4.244 123.417 119.070 0.171 0.000 2.502 304 H HA 0.612 5.181 4.556 0.023 0.000 0.327 304 H C -0.452 174.880 175.328 0.007 0.000 1.099 304 H CA -0.361 55.760 56.048 0.122 0.000 1.323 304 H CB 1.612 31.413 29.762 0.066 0.000 1.450 304 H HN 0.220 nan 8.280 nan 0.000 0.502 305 V N 3.590 123.551 119.914 0.079 0.000 2.925 305 V HA 0.271 4.404 4.120 0.023 0.000 0.311 305 V C -0.829 175.239 176.094 -0.043 0.000 1.104 305 V CA -0.843 61.434 62.300 -0.038 0.000 0.954 305 V CB 2.877 34.660 31.823 -0.067 0.000 1.022 305 V HN 0.497 nan 8.190 nan 0.000 0.427 306 V N 4.931 124.779 119.914 -0.110 0.000 2.483 306 V HA 0.569 4.703 4.120 0.023 0.000 0.295 306 V C -0.489 175.562 176.094 -0.073 0.000 1.035 306 V CA -0.663 61.590 62.300 -0.077 0.000 0.896 306 V CB 1.763 33.528 31.823 -0.097 0.000 0.986 306 V HN 0.738 nan 8.190 nan 0.000 0.447 307 L N 7.454 128.626 121.223 -0.085 0.000 2.312 307 L HA 0.509 4.862 4.340 0.023 0.000 0.287 307 L C -0.407 176.476 176.870 0.021 0.000 1.091 307 L CA 0.407 55.175 54.840 -0.121 0.000 0.846 307 L CB 0.048 41.911 42.059 -0.326 0.000 1.219 307 L HN 0.860 nan 8.230 nan 0.000 0.439 308 D N 1.378 121.885 120.400 0.179 0.000 2.801 308 D HA 0.557 5.211 4.640 0.023 0.000 0.277 308 D C -0.181 176.360 176.300 0.402 0.000 1.125 308 D CA -0.513 53.674 54.000 0.313 0.000 1.102 308 D CB 0.470 41.371 40.800 0.168 0.000 1.400 308 D HN 0.348 nan 8.370 nan 0.000 0.601 309 T N -3.406 111.275 114.554 0.212 0.000 2.884 309 T HA 0.615 4.978 4.350 0.023 0.000 0.277 309 T C -2.559 172.166 174.700 0.042 0.000 0.976 309 T CA -1.721 60.412 62.100 0.056 0.000 0.956 309 T CB 0.523 69.345 68.868 -0.076 0.000 1.113 309 T HN 0.126 nan 8.240 nan 0.000 0.554 310 P HA 0.230 nan 4.420 nan 0.000 0.267 310 P C -2.343 174.906 177.300 -0.085 0.000 1.205 310 P CA -1.079 61.963 63.100 -0.097 0.000 0.765 310 P CB -0.671 30.971 31.700 -0.098 0.000 0.828 311 P HA -0.050 nan 4.420 nan 0.000 0.263 311 P C -0.163 177.089 177.300 -0.080 0.000 1.195 311 P CA 0.273 63.328 63.100 -0.075 0.000 0.762 311 P CB 0.253 31.899 31.700 -0.089 0.000 0.799 312 D N 5.359 125.726 120.400 -0.056 0.000 2.660 312 D HA -0.072 4.581 4.640 0.023 0.000 0.253 312 D C -1.302 174.973 176.300 -0.042 0.000 1.256 312 D CA -0.937 53.033 54.000 -0.049 0.000 0.914 312 D CB 0.065 40.839 40.800 -0.043 0.000 1.137 312 D HN 0.188 nan 8.370 nan 0.000 0.542 313 P HA -0.070 nan 4.420 nan 0.000 0.234 313 P C 0.401 177.701 177.300 0.001 0.000 1.162 313 P CA 0.768 63.862 63.100 -0.010 0.000 0.759 313 P CB 0.210 31.904 31.700 -0.010 0.000 0.813 314 A N -1.278 121.532 122.820 -0.016 0.000 2.238 314 A HA 0.088 4.422 4.320 0.023 0.000 0.210 314 A C 1.758 179.330 177.584 -0.019 0.000 1.179 314 A CA 0.298 52.325 52.037 -0.017 0.000 0.827 314 A CB -1.004 17.981 19.000 -0.026 0.000 0.856 314 A HN 0.154 nan 8.150 nan 0.000 0.488 315 L N 0.176 121.387 121.223 -0.021 0.000 2.478 315 L HA -0.027 4.327 4.340 0.023 0.000 0.223 315 L C 0.387 177.249 176.870 -0.013 0.000 1.140 315 L CA 0.674 55.494 54.840 -0.033 0.000 0.842 315 L CB -0.101 41.924 42.059 -0.056 0.000 0.953 315 L HN 0.422 nan 8.230 nan 0.000 0.452 316 D N 0.237 120.656 120.400 0.031 0.000 2.894 316 D HA -0.015 4.639 4.640 0.023 0.000 0.248 316 D C 0.281 176.601 176.300 0.034 0.000 1.291 316 D CA -0.113 53.936 54.000 0.081 0.000 0.840 316 D CB 0.093 41.054 40.800 0.269 0.000 1.044 316 D HN 0.339 nan 8.370 nan 0.000 0.484 317 E N 1.219 121.417 120.200 -0.003 0.000 2.465 317 E HA 0.087 4.450 4.350 0.023 0.000 0.260 317 E C -0.660 175.918 176.600 -0.036 0.000 0.980 317 E CA -0.189 56.194 56.400 -0.028 0.000 0.927 317 E CB 0.903 30.580 29.700 -0.037 0.000 0.934 317 E HN -0.093 nan 8.360 nan 0.000 0.459 318 V N 5.763 125.646 119.914 -0.051 0.000 2.427 318 V HA 0.263 4.396 4.120 0.023 0.000 0.286 318 V C 0.652 176.695 176.094 -0.084 0.000 1.034 318 V CA -0.664 61.600 62.300 -0.060 0.000 0.893 318 V CB 1.266 33.050 31.823 -0.064 0.000 0.982 318 V HN 0.730 nan 8.190 nan 0.000 0.452 319 R N 4.307 124.733 120.500 -0.124 0.000 2.623 319 R HA 0.137 4.491 4.340 0.023 0.000 0.271 319 R C 0.081 176.301 176.300 -0.133 0.000 1.043 319 R CA -0.375 55.610 56.100 -0.191 0.000 1.083 319 R CB 0.503 30.559 30.300 -0.407 0.000 0.974 319 R HN 0.761 nan 8.270 nan 0.000 0.436 320 K N 3.492 123.821 120.400 -0.119 0.000 2.174 320 K HA 0.191 4.525 4.320 0.023 0.000 0.275 320 K C -0.942 175.625 176.600 -0.055 0.000 1.015 320 K CA -0.240 56.003 56.287 -0.073 0.000 0.933 320 K CB 1.409 33.872 32.500 -0.062 0.000 1.025 320 K HN 0.570 nan 8.250 nan 0.000 0.463 321 E N 1.056 121.239 120.200 -0.029 0.000 2.176 321 E HA 0.537 4.901 4.350 0.023 0.000 0.267 321 E C -0.259 176.336 176.600 -0.009 0.000 0.893 321 E CA -0.461 55.934 56.400 -0.007 0.000 0.761 321 E CB 1.525 31.231 29.700 0.010 0.000 1.133 321 E HN 0.838 nan 8.360 nan 0.000 0.409 358 D N 1.278 121.688 120.400 0.017 0.000 2.400 358 D HA 0.292 4.946 4.640 0.023 0.000 0.243 358 D C 0.328 176.634 176.300 0.010 0.000 1.184 358 D CA 0.367 54.375 54.000 0.013 0.000 0.853 358 D CB -0.173 40.630 40.800 0.005 0.000 0.944 358 D HN 0.379 nan 8.370 nan 0.000 0.501 359 R N 1.181 121.691 120.500 0.016 0.000 2.349 359 R HA 0.248 4.602 4.340 0.023 0.000 0.299 359 R C -0.273 176.052 176.300 0.043 0.000 1.027 359 R CA -0.685 55.420 56.100 0.008 0.000 0.958 359 R CB 0.409 30.701 30.300 -0.013 0.000 1.047 359 R HN -0.155 nan 8.270 nan 0.000 0.468 360 K N 3.394 123.819 120.400 0.041 0.000 2.524 360 K HA -0.079 4.255 4.320 0.023 0.000 0.279 360 K C -0.174 176.510 176.600 0.141 0.000 0.993 360 K CA 0.366 56.711 56.287 0.097 0.000 1.030 360 K CB 0.164 32.708 32.500 0.073 0.000 0.891 360 K HN 0.474 nan 8.250 nan 0.000 0.488 361 F N 4.456 124.453 119.950 0.077 0.000 2.518 361 F HA 0.043 4.584 4.527 0.023 0.000 0.359 361 F C 0.435 176.363 175.800 0.214 0.000 1.118 361 F CA 0.120 58.177 58.000 0.095 0.000 1.287 361 F CB 0.518 39.531 39.000 0.022 0.000 1.132 361 F HN 0.477 nan 8.300 nan 0.000 0.587 362 R N 5.403 125.473 120.500 -0.717 0.000 2.673 362 R HA 0.809 5.162 4.340 0.023 0.000 0.281 362 R C -2.428 173.566 176.300 -0.509 0.000 0.991 362 R CA -1.048 54.855 56.100 -0.330 0.000 0.896 362 R CB 1.688 31.867 30.300 -0.202 0.000 1.201 362 R HN 0.626 nan 8.270 nan 0.000 0.457 363 V N 1.921 121.850 119.914 0.025 0.000 2.888 363 V HA 0.474 4.607 4.120 0.023 0.000 0.309 363 V C -1.326 174.838 176.094 0.116 0.000 1.114 363 V CA -0.911 61.454 62.300 0.108 0.000 0.940 363 V CB 2.363 34.315 31.823 0.214 0.000 1.021 363 V HN 0.897 nan 8.190 nan 0.000 0.426 364 K N 5.643 125.987 120.400 -0.093 0.000 2.265 364 K HA 0.565 4.899 4.320 0.023 0.000 0.267 364 K C -1.261 175.242 176.600 -0.161 0.000 0.994 364 K CA -0.638 55.448 56.287 -0.335 0.000 0.860 364 K CB 1.194 33.217 32.500 -0.795 0.000 1.099 364 K HN 0.526 nan 8.250 nan 0.000 0.448 365 I N 6.062 126.558 120.570 -0.124 0.000 2.281 365 I HA 0.184 4.367 4.170 0.023 0.000 0.293 365 I C 1.268 177.391 176.117 0.010 0.000 1.085 365 I CA -0.504 60.757 61.300 -0.066 0.000 1.257 365 I CB 0.717 38.633 38.000 -0.139 0.000 1.430 365 I HN 0.667 nan 8.210 nan 0.000 0.489 366 R N 3.598 124.096 120.500 -0.002 0.000 2.070 366 R HA 0.164 4.518 4.340 0.023 0.000 0.232 366 R C 0.915 177.300 176.300 0.142 0.000 1.138 366 R CA 0.871 56.989 56.100 0.029 0.000 0.936 366 R CB -0.469 29.822 30.300 -0.014 0.000 0.839 366 R HN 0.770 nan 8.270 nan 0.000 0.429 367 G N -0.547 108.343 108.800 0.150 0.000 2.316 367 G HA2 0.301 4.275 3.960 0.023 0.000 0.296 367 G HA3 0.301 4.275 3.960 0.023 0.000 0.296 367 G C -1.262 173.723 174.900 0.141 0.000 1.399 367 G CA -0.486 44.768 45.100 0.256 0.000 0.833 367 G HN 0.202 nan 8.290 nan 0.000 0.565 368 I N -1.853 118.829 120.570 0.186 0.000 2.677 368 I HA 0.830 5.014 4.170 0.023 0.000 0.305 368 I C -0.758 175.368 176.117 0.016 0.000 0.988 368 I CA -0.632 60.708 61.300 0.068 0.000 1.260 368 I CB 1.801 39.863 38.000 0.103 0.000 1.410 368 I HN 0.359 nan 8.210 nan 0.000 0.523 369 D N 4.847 125.215 120.400 -0.053 0.000 2.964 369 D HA 0.473 5.126 4.640 0.023 0.000 0.234 369 D C -1.413 174.837 176.300 -0.082 0.000 1.223 369 D CA -0.173 53.795 54.000 -0.054 0.000 0.889 369 D CB 2.938 43.700 40.800 -0.064 0.000 1.609 369 D HN 0.703 nan 8.370 nan 0.000 0.523 370 I N 2.802 123.340 120.570 -0.054 0.000 2.497 370 I HA 0.254 4.438 4.170 0.023 0.000 0.284 370 I C -2.142 173.943 176.117 -0.053 0.000 1.060 370 I CA -2.369 58.894 61.300 -0.063 0.000 1.071 370 I CB 2.556 40.516 38.000 -0.067 0.000 1.216 370 I HN 0.025 nan 8.210 nan 0.000 0.442 371 P HA -0.094 nan 4.420 nan 0.000 0.216 371 P C -0.231 177.044 177.300 -0.042 0.000 1.150 371 P CA 1.009 64.091 63.100 -0.031 0.000 0.843 371 P CB 0.149 31.839 31.700 -0.017 0.000 0.787 372 V N 0.049 119.935 119.914 -0.045 0.000 2.612 372 V HA 0.378 4.512 4.120 0.023 0.000 0.301 372 V C -0.979 175.072 176.094 -0.072 0.000 1.059 372 V CA -0.529 61.738 62.300 -0.056 0.000 0.886 372 V CB 2.126 33.927 31.823 -0.037 0.000 1.007 372 V HN -0.196 nan 8.190 nan 0.000 0.426 373 L N 8.503 129.653 121.223 -0.121 0.000 2.470 373 L HA 0.661 5.015 4.340 0.023 0.000 0.256 373 L C -2.456 174.303 176.870 -0.184 0.000 1.357 373 L CA -0.733 54.004 54.840 -0.171 0.000 0.902 373 L CB 1.753 43.615 42.059 -0.329 0.000 1.121 373 L HN 0.500 nan 8.230 nan 0.000 0.507 374 P HA 0.427 nan 4.420 nan 0.000 0.219 374 P C 0.169 177.434 177.300 -0.059 0.000 1.847 374 P CA -0.298 62.750 63.100 -0.087 0.000 1.110 374 P CB 0.985 32.650 31.700 -0.057 0.000 1.839 375 R N 1.229 121.686 120.500 -0.070 0.000 2.265 375 R HA 0.251 4.605 4.340 0.023 0.000 0.194 375 R C 0.249 176.554 176.300 0.009 0.000 0.931 375 R CA 0.384 56.475 56.100 -0.014 0.000 1.032 375 R CB 0.317 30.630 30.300 0.021 0.000 0.980 375 R HN 0.312 nan 8.270 nan 0.000 0.497 376 N N -2.026 116.673 118.700 -0.000 0.000 3.348 376 N HA 0.021 4.774 4.740 0.023 0.000 0.233 376 N C -1.575 173.942 175.510 0.013 0.000 1.440 376 N CA -0.497 52.565 53.050 0.021 0.000 0.887 376 N CB 1.765 40.286 38.487 0.057 0.000 1.410 376 N HN -0.218 nan 8.380 nan 0.000 0.502 377 T N 1.035 115.601 114.554 0.021 0.000 2.902 377 T HA -0.017 4.346 4.350 0.023 0.000 0.301 377 T C -0.107 174.620 174.700 0.045 0.000 1.012 377 T CA 0.456 62.570 62.100 0.023 0.000 1.151 377 T CB -0.047 68.834 68.868 0.023 0.000 0.946 377 T HN 0.193 nan 8.240 nan 0.000 0.542 378 D N 3.223 123.652 120.400 0.047 0.000 2.424 378 D HA 0.150 4.804 4.640 0.023 0.000 0.244 378 D C 0.360 176.721 176.300 0.102 0.000 1.134 378 D CA 0.108 54.160 54.000 0.087 0.000 0.881 378 D CB 0.768 41.615 40.800 0.079 0.000 1.191 378 D HN 0.365 nan 8.370 nan 0.000 0.445 379 L N 1.400 122.708 121.223 0.143 0.000 2.666 379 L HA 0.316 4.670 4.340 0.023 0.000 0.213 379 L C 0.365 177.313 176.870 0.130 0.000 1.734 379 L CA -0.246 54.665 54.840 0.118 0.000 2.979 379 L CB 0.767 42.888 42.059 0.103 0.000 2.784 379 L HN 0.387 nan 8.230 nan 0.000 0.797 380 T N 0.072 114.693 114.554 0.111 0.000 2.893 380 T HA 0.638 5.002 4.350 0.023 0.000 0.291 380 T C -0.993 173.731 174.700 0.039 0.000 1.028 380 T CA -0.440 61.724 62.100 0.107 0.000 0.995 380 T CB 2.528 71.471 68.868 0.125 0.000 1.051 380 T HN 0.071 nan 8.240 nan 0.000 0.470 381 V N 3.284 123.234 119.914 0.060 0.000 2.612 381 V HA 0.695 4.829 4.120 0.023 0.000 0.301 381 V C -1.172 175.037 176.094 0.192 0.000 1.059 381 V CA -0.972 61.292 62.300 -0.060 0.000 0.886 381 V CB 1.225 32.870 31.823 -0.296 0.000 1.007 381 V HN 0.938 nan 8.190 nan 0.000 0.426 382 F N 3.602 123.620 119.950 0.114 0.000 2.640 382 F HA 0.962 5.502 4.527 0.022 0.000 0.324 382 F C -1.058 174.716 175.800 -0.044 0.000 1.077 382 F CA -1.300 56.739 58.000 0.066 0.000 0.965 382 F CB 1.822 40.841 39.000 0.032 0.000 1.351 382 F HN 0.163 nan 8.300 nan 0.000 0.487 383 V N 1.087 121.045 119.914 0.074 0.000 2.435 383 V HA 0.380 4.513 4.120 0.023 0.000 0.290 383 V C -0.743 175.462 176.094 0.186 0.000 1.030 383 V CA -0.597 61.690 62.300 -0.023 0.000 0.881 383 V CB 1.427 33.038 31.823 -0.354 0.000 0.983 383 V HN 0.853 nan 8.190 nan 0.000 0.445 384 E N 2.935 123.293 120.200 0.263 0.000 2.165 384 E HA 0.690 5.053 4.350 0.023 0.000 0.266 384 E C -0.772 175.947 176.600 0.198 0.000 0.889 384 E CA -0.681 55.882 56.400 0.271 0.000 0.756 384 E CB 1.686 31.670 29.700 0.473 0.000 1.131 384 E HN 0.820 nan 8.360 nan 0.000 0.411 385 A N 5.236 128.167 122.820 0.185 0.000 2.256 385 A HA 0.391 4.724 4.320 0.023 0.000 0.317 385 A C -0.664 177.153 177.584 0.387 0.000 1.318 385 A CA -0.813 51.396 52.037 0.287 0.000 0.894 385 A CB 0.437 19.682 19.000 0.408 0.000 1.165 385 A HN 0.633 nan 8.150 nan 0.000 0.525 386 N N 2.500 121.350 118.700 0.249 0.000 2.421 386 N HA 0.346 5.099 4.740 0.023 0.000 0.285 386 N C -0.695 174.843 175.510 0.046 0.000 1.027 386 N CA -0.230 52.938 53.050 0.196 0.000 0.918 386 N CB 1.774 40.340 38.487 0.130 0.000 1.152 386 N HN 0.554 nan 8.380 nan 0.000 0.485 387 I N 2.234 122.776 120.570 -0.047 0.000 2.322 387 I HA 0.112 4.295 4.170 0.023 0.000 0.292 387 I C 0.383 176.445 176.117 -0.091 0.000 1.060 387 I CA -0.068 61.100 61.300 -0.221 0.000 1.309 387 I CB 0.392 38.122 38.000 -0.450 0.000 1.415 387 I HN 0.233 nan 8.210 nan 0.000 0.492 388 Q N 5.382 125.134 119.800 -0.080 0.000 2.312 388 Q HA 0.412 4.766 4.340 0.023 0.000 0.263 388 Q C -0.828 175.162 176.000 -0.017 0.000 0.995 388 Q CA -0.636 55.146 55.803 -0.034 0.000 0.853 388 Q CB 2.914 31.630 28.738 -0.036 0.000 1.300 388 Q HN 0.523 nan 8.270 nan 0.000 0.448 389 H N 0.395 119.396 119.070 -0.114 0.000 2.823 389 H HA 0.221 4.790 4.556 0.022 0.000 0.332 389 H C 0.187 175.399 175.328 -0.194 0.000 0.980 389 H CA 0.479 56.427 56.048 -0.168 0.000 1.286 389 H CB 1.449 31.112 29.762 -0.165 0.000 1.541 389 H HN 0.978 nan 8.280 nan 0.000 0.521 390 G N 4.211 112.770 108.800 -0.400 0.000 2.356 390 G HA2 -0.365 3.609 3.960 0.023 0.000 0.296 390 G HA3 -0.365 3.609 3.960 0.023 0.000 0.296 390 G C 0.516 175.289 174.900 -0.212 0.000 1.022 390 G CA 1.387 46.287 45.100 -0.335 0.000 0.961 390 G HN 0.892 nan 8.290 nan 0.000 0.510 391 Q N -2.635 117.081 119.800 -0.140 0.000 2.324 391 Q HA -0.250 4.104 4.340 0.023 0.000 0.200 391 Q C 0.676 176.639 176.000 -0.060 0.000 0.645 391 Q CA 2.086 57.834 55.803 -0.092 0.000 1.377 391 Q CB -0.977 27.690 28.738 -0.118 0.000 1.486 391 Q HN 0.924 nan 8.270 nan 0.000 0.796 392 Q N 0.673 120.446 119.800 -0.045 0.000 2.294 392 Q HA 0.399 4.752 4.340 0.023 0.000 0.257 392 Q C -0.378 175.634 176.000 0.019 0.000 0.955 392 Q CA 0.004 55.809 55.803 0.002 0.000 0.936 392 Q CB 0.981 29.750 28.738 0.051 0.000 1.188 392 Q HN 0.267 nan 8.270 nan 0.000 0.420 393 V N 4.031 123.959 119.914 0.023 0.000 2.381 393 V HA 0.073 4.206 4.120 0.023 0.000 0.257 393 V C 0.946 177.062 176.094 0.037 0.000 1.057 393 V CA 0.134 62.455 62.300 0.036 0.000 1.013 393 V CB -0.220 31.634 31.823 0.052 0.000 1.069 393 V HN 0.905 nan 8.190 nan 0.000 0.484 394 L N 2.841 124.081 121.223 0.028 0.000 2.141 394 L HA 0.111 4.464 4.340 0.023 0.000 0.209 394 L C 1.125 178.022 176.870 0.044 0.000 1.094 394 L CA 1.158 56.010 54.840 0.021 0.000 0.763 394 L CB -0.083 41.970 42.059 -0.009 0.000 0.908 394 L HN 0.787 nan 8.230 nan 0.000 0.437 395 C N -1.033 118.317 119.300 0.084 0.000 3.241 395 C HA 0.406 4.880 4.460 0.023 0.000 0.348 395 C C -1.405 173.769 174.990 0.307 0.000 1.180 395 C CA -0.658 58.477 59.018 0.195 0.000 1.273 395 C CB 1.872 29.782 27.740 0.283 0.000 1.620 395 C HN 0.353 nan 8.230 nan 0.000 0.510 396 Q N 3.978 123.936 119.800 0.263 0.000 2.275 396 Q HA 0.522 4.875 4.340 0.023 0.000 0.258 396 Q C -1.255 174.738 176.000 -0.012 0.000 0.960 396 Q CA -0.542 55.375 55.803 0.191 0.000 0.801 396 Q CB 1.356 30.157 28.738 0.104 0.000 1.302 396 Q HN 0.679 nan 8.270 nan 0.000 0.433 397 R N 2.173 122.575 120.500 -0.163 0.000 2.803 397 R HA 0.628 4.982 4.340 0.023 0.000 0.276 397 R C -0.513 175.669 176.300 -0.196 0.000 0.978 397 R CA -0.562 55.345 56.100 -0.322 0.000 0.939 397 R CB 1.900 31.795 30.300 -0.676 0.000 1.179 397 R HN 0.640 nan 8.270 nan 0.000 0.472 398 R N -0.471 119.904 120.500 -0.208 0.000 2.923 398 R HA 0.509 4.863 4.340 0.023 0.000 0.252 398 R C 0.072 176.222 176.300 -0.250 0.000 1.130 398 R CA -0.721 55.257 56.100 -0.203 0.000 1.043 398 R CB 1.729 31.838 30.300 -0.318 0.000 1.205 398 R HN 0.752 nan 8.270 nan 0.000 0.495 399 T N -1.991 112.386 114.554 -0.294 0.000 2.910 399 T HA 0.358 4.722 4.350 0.023 0.000 0.279 399 T C 0.306 174.909 174.700 -0.160 0.000 0.989 399 T CA -0.854 61.005 62.100 -0.401 0.000 0.968 399 T CB 1.316 69.517 68.868 -1.111 0.000 1.135 399 T HN 0.574 nan 8.240 nan 0.000 0.562 400 S N 1.051 116.812 115.700 0.101 0.000 2.584 400 S HA 0.455 4.939 4.470 0.023 0.000 0.273 400 S C -2.601 172.243 174.600 0.406 0.000 1.311 400 S CA -1.325 57.015 58.200 0.234 0.000 1.034 400 S CB 0.212 63.585 63.200 0.288 0.000 0.939 400 S HN 0.749 nan 8.310 nan 0.000 0.513 401 P HA 0.283 nan 4.420 nan 0.000 0.277 401 P C -0.757 176.697 177.300 0.257 0.000 1.354 401 P CA -0.312 62.987 63.100 0.332 0.000 0.891 401 P CB 0.274 32.117 31.700 0.239 0.000 1.058 402 K N 4.416 124.987 120.400 0.286 0.000 2.106 402 K HA 0.489 4.823 4.320 0.023 0.000 0.246 402 K C -2.327 174.349 176.600 0.126 0.000 0.987 402 K CA -2.126 54.235 56.287 0.124 0.000 0.904 402 K CB 0.331 32.810 32.500 -0.035 0.000 1.071 402 K HN 0.211 nan 8.250 nan 0.000 0.453 403 P HA -0.024 nan 4.420 nan 0.000 0.271 403 P C -0.816 176.601 177.300 0.195 0.000 1.244 403 P CA -0.123 63.052 63.100 0.124 0.000 0.793 403 P CB 0.315 32.064 31.700 0.081 0.000 0.984 404 F N 1.651 121.618 119.950 0.029 0.000 2.308 404 F HA 0.331 4.872 4.527 0.023 0.000 0.370 404 F C -0.062 175.741 175.800 0.005 0.000 1.100 404 F CA -0.661 57.357 58.000 0.031 0.000 1.108 404 F CB -0.618 38.414 39.000 0.054 0.000 1.293 404 F HN 0.148 nan 8.300 nan 0.000 0.478 405 T N 1.919 116.585 114.554 0.186 0.000 2.950 405 T HA 0.257 4.620 4.350 0.023 0.000 0.288 405 T C 1.004 175.671 174.700 -0.055 0.000 1.035 405 T CA -0.701 61.389 62.100 -0.016 0.000 1.028 405 T CB 1.598 70.458 68.868 -0.013 0.000 1.109 405 T HN 0.544 nan 8.240 nan 0.000 0.514 406 E N 0.223 120.352 120.200 -0.118 0.000 2.455 406 E HA -0.161 4.202 4.350 0.023 0.000 0.202 406 E C 0.218 176.797 176.600 -0.035 0.000 1.045 406 E CA 0.996 57.331 56.400 -0.108 0.000 0.872 406 E CB 0.198 29.836 29.700 -0.103 0.000 0.792 406 E HN 0.834 nan 8.360 nan 0.000 0.542 407 E N 0.218 120.409 120.200 -0.015 0.000 2.294 407 E HA 0.370 4.734 4.350 0.023 0.000 0.272 407 E C -1.817 174.768 176.600 -0.025 0.000 0.896 407 E CA -0.557 55.836 56.400 -0.013 0.000 0.802 407 E CB 2.143 31.821 29.700 -0.036 0.000 1.267 407 E HN -0.024 nan 8.360 nan 0.000 0.406 408 V N 5.088 124.992 119.914 -0.017 0.000 2.638 408 V HA 0.544 4.678 4.120 0.023 0.000 0.306 408 V C -0.291 175.690 176.094 -0.188 0.000 1.052 408 V CA -0.750 61.456 62.300 -0.157 0.000 0.885 408 V CB 1.649 33.370 31.823 -0.169 0.000 0.999 408 V HN 0.603 nan 8.190 nan 0.000 0.424 409 L N 2.535 123.537 121.223 -0.369 0.000 2.323 409 L HA 0.594 4.948 4.340 0.023 0.000 0.265 409 L C 0.092 176.717 176.870 -0.408 0.000 1.012 409 L CA -0.286 54.431 54.840 -0.206 0.000 0.820 409 L CB 2.781 44.765 42.059 -0.126 0.000 1.334 409 L HN 0.673 nan 8.230 nan 0.000 0.427 410 W N -0.434 120.845 121.300 -0.035 0.000 4.359 410 W HA 0.078 4.752 4.660 0.024 0.000 0.200 410 W C 0.434 176.918 176.519 -0.059 0.000 1.068 410 W CA 0.095 57.419 57.345 -0.036 0.000 1.787 410 W CB 0.349 29.790 29.460 -0.031 0.000 0.717 410 W HN 0.730 nan 8.180 nan 0.000 0.930 411 N N 1.439 120.238 118.700 0.165 0.000 2.696 411 N HA -0.180 4.573 4.740 0.023 0.000 0.256 411 N C -1.008 174.476 175.510 -0.044 0.000 1.031 411 N CA 1.006 54.058 53.050 0.003 0.000 0.730 411 N CB -1.137 37.334 38.487 -0.026 0.000 0.894 411 N HN -0.039 nan 8.380 nan 0.000 0.544 412 V N -2.158 117.726 119.914 -0.050 0.000 2.680 412 V HA 0.777 4.910 4.120 0.023 0.000 0.309 412 V C 0.334 176.323 176.094 -0.176 0.000 1.052 412 V CA -1.213 61.048 62.300 -0.065 0.000 0.908 412 V CB 1.221 33.064 31.823 0.033 0.000 1.001 412 V HN 0.258 nan 8.190 nan 0.000 0.431 413 W N 3.375 124.669 121.300 -0.009 0.000 2.345 413 W HA 0.627 5.300 4.660 0.022 0.000 0.308 413 W C -0.087 176.392 176.519 -0.068 0.000 1.273 413 W CA -0.466 56.856 57.345 -0.038 0.000 1.243 413 W CB 0.926 30.362 29.460 -0.040 0.000 1.260 413 W HN 0.470 nan 8.180 nan 0.000 0.509 414 L N 3.839 125.148 121.223 0.143 0.000 2.260 414 L HA 0.260 4.613 4.340 0.023 0.000 0.289 414 L C 0.311 177.170 176.870 -0.018 0.000 1.057 414 L CA -0.557 54.261 54.840 -0.037 0.000 0.811 414 L CB 0.734 42.691 42.059 -0.170 0.000 1.184 414 L HN 0.393 nan 8.230 nan 0.000 0.429 415 E N 2.928 123.086 120.200 -0.070 0.000 2.167 415 E HA 0.323 4.686 4.350 0.023 0.000 0.284 415 E C -1.021 175.530 176.600 -0.082 0.000 1.016 415 E CA -0.421 55.971 56.400 -0.014 0.000 0.817 415 E CB 0.925 30.620 29.700 -0.009 0.000 1.080 415 E HN 0.241 nan 8.360 nan 0.000 0.397 416 F N 0.937 120.963 119.950 0.127 0.000 2.378 416 F HA 0.056 4.596 4.527 0.022 0.000 0.325 416 F C 1.886 177.741 175.800 0.092 0.000 1.097 416 F CA -0.193 57.892 58.000 0.142 0.000 1.079 416 F CB 1.407 40.563 39.000 0.260 0.000 1.240 416 F HN 0.483 nan 8.300 nan 0.000 0.519 417 S N 0.838 116.684 115.700 0.244 0.000 2.383 417 S HA -0.077 4.407 4.470 0.023 0.000 0.227 417 S C 0.631 175.311 174.600 0.134 0.000 1.026 417 S CA 0.351 58.632 58.200 0.136 0.000 0.981 417 S CB -0.862 62.389 63.200 0.086 0.000 0.818 417 S HN 0.378 nan 8.310 nan 0.000 0.472 418 I N 2.580 123.246 120.570 0.161 0.000 2.775 418 I HA 0.114 4.298 4.170 0.023 0.000 0.290 418 I C 0.646 176.832 176.117 0.115 0.000 1.203 418 I CA 0.124 61.479 61.300 0.093 0.000 1.433 418 I CB 0.027 38.041 38.000 0.024 0.000 1.354 418 I HN 0.054 nan 8.210 nan 0.000 0.579 419 K N 4.397 124.838 120.400 0.069 0.000 2.120 419 K HA 0.291 4.625 4.320 0.023 0.000 0.245 419 K C 0.966 177.613 176.600 0.078 0.000 1.024 419 K CA -0.751 55.579 56.287 0.073 0.000 0.906 419 K CB 0.783 33.306 32.500 0.039 0.000 1.051 419 K HN 0.477 nan 8.250 nan 0.000 0.491 420 I N 1.244 121.871 120.570 0.095 0.000 2.353 420 I HA -0.152 4.032 4.170 0.023 0.000 0.248 420 I C 1.902 178.057 176.117 0.063 0.000 1.119 420 I CA 1.264 62.629 61.300 0.108 0.000 1.417 420 I CB -0.569 37.508 38.000 0.128 0.000 1.078 420 I HN 0.519 nan 8.210 nan 0.000 0.421 421 K N 1.145 121.573 120.400 0.048 0.000 2.360 421 K HA -0.139 4.194 4.320 0.023 0.000 0.201 421 K C 1.365 177.973 176.600 0.013 0.000 1.046 421 K CA 1.051 57.358 56.287 0.033 0.000 0.945 421 K CB -0.280 32.235 32.500 0.025 0.000 0.750 421 K HN 0.277 nan 8.250 nan 0.000 0.464 422 D N -0.468 119.933 120.400 0.003 0.000 2.354 422 D HA 0.019 4.673 4.640 0.023 0.000 0.209 422 D C 0.026 176.302 176.300 -0.040 0.000 1.015 422 D CA 0.046 54.033 54.000 -0.023 0.000 0.867 422 D CB 0.272 41.057 40.800 -0.025 0.000 0.933 422 D HN 0.138 nan 8.370 nan 0.000 0.520 423 L N 3.531 124.730 121.223 -0.041 0.000 2.513 423 L HA 0.106 4.459 4.340 0.023 0.000 0.272 423 L C -1.984 174.869 176.870 -0.029 0.000 1.187 423 L CA -0.973 53.825 54.840 -0.070 0.000 0.895 423 L CB 0.008 42.006 42.059 -0.101 0.000 1.147 423 L HN -0.157 nan 8.230 nan 0.000 0.483 424 P HA 0.190 nan 4.420 nan 0.000 0.290 424 P C -0.853 176.500 177.300 0.087 0.000 1.275 424 P CA -0.916 62.192 63.100 0.013 0.000 0.841 424 P CB 1.189 32.828 31.700 -0.101 0.000 1.042 425 K N 0.989 121.470 120.400 0.135 0.000 2.559 425 K HA 0.141 4.474 4.320 0.023 0.000 0.279 425 K C 1.237 177.954 176.600 0.196 0.000 0.967 425 K CA 1.443 57.819 56.287 0.148 0.000 1.000 425 K CB -0.560 32.008 32.500 0.114 0.000 0.890 425 K HN 0.824 nan 8.250 nan 0.000 0.501 426 G N 1.474 110.389 108.800 0.191 0.000 2.184 426 G HA2 -0.335 3.638 3.960 0.023 0.000 0.264 426 G HA3 -0.335 3.638 3.960 0.023 0.000 0.264 426 G C 0.181 175.027 174.900 -0.091 0.000 0.975 426 G CA 0.321 45.420 45.100 -0.001 0.000 0.642 426 G HN 0.946 nan 8.290 nan 0.000 0.536 427 A N -0.023 122.825 122.820 0.048 0.000 2.540 427 A HA 0.554 4.888 4.320 0.023 0.000 0.239 427 A C 0.502 178.006 177.584 -0.134 0.000 1.061 427 A CA 0.511 52.544 52.037 -0.007 0.000 0.758 427 A CB 0.234 19.209 19.000 -0.040 0.000 0.991 427 A HN 0.942 nan 8.150 nan 0.000 0.502 428 L N 2.563 123.697 121.223 -0.148 0.000 2.307 428 L HA 0.348 4.701 4.340 0.023 0.000 0.284 428 L C -0.270 176.501 176.870 -0.164 0.000 1.023 428 L CA -0.896 53.852 54.840 -0.153 0.000 0.810 428 L CB 1.618 43.605 42.059 -0.120 0.000 1.231 428 L HN 0.737 nan 8.230 nan 0.000 0.423 429 L N 5.287 126.401 121.223 -0.181 0.000 2.369 429 L HA 0.252 4.606 4.340 0.023 0.000 0.279 429 L C -0.035 176.798 176.870 -0.062 0.000 1.108 429 L CA 0.546 55.290 54.840 -0.160 0.000 0.852 429 L CB 0.272 42.243 42.059 -0.147 0.000 1.169 429 L HN 0.602 nan 8.230 nan 0.000 0.452 430 N N 6.541 125.234 118.700 -0.012 0.000 2.407 430 N HA 0.348 5.102 4.740 0.023 0.000 0.277 430 N C -1.707 173.857 175.510 0.090 0.000 0.995 430 N CA -0.540 52.537 53.050 0.046 0.000 0.903 430 N CB 1.054 39.569 38.487 0.045 0.000 1.218 430 N HN 0.660 nan 8.380 nan 0.000 0.487 431 L N 2.691 123.972 121.223 0.096 0.000 2.341 431 L HA 0.468 4.821 4.340 0.023 0.000 0.278 431 L C -0.371 176.563 176.870 0.106 0.000 1.005 431 L CA -0.605 54.290 54.840 0.092 0.000 0.818 431 L CB 1.893 43.980 42.059 0.048 0.000 1.259 431 L HN 0.466 nan 8.230 nan 0.000 0.418 432 Q N 4.174 124.029 119.800 0.092 0.000 2.345 432 Q HA 0.599 4.953 4.340 0.023 0.000 0.275 432 Q C -1.342 174.635 176.000 -0.037 0.000 1.063 432 Q CA -0.698 55.126 55.803 0.034 0.000 0.819 432 Q CB 3.455 32.193 28.738 0.000 0.000 1.356 432 Q HN 0.514 nan 8.270 nan 0.000 0.418 433 I N 2.257 122.743 120.570 -0.141 0.000 2.382 433 I HA 0.364 4.547 4.170 0.023 0.000 0.286 433 I C -1.234 174.661 176.117 -0.372 0.000 1.002 433 I CA -0.598 60.596 61.300 -0.176 0.000 1.135 433 I CB 0.843 38.822 38.000 -0.034 0.000 1.288 433 I HN 0.515 nan 8.210 nan 0.000 0.448 434 Y N 5.242 125.243 120.300 -0.499 0.000 2.420 434 Y HA 0.610 5.173 4.550 0.023 0.000 0.334 434 Y C 0.480 176.071 175.900 -0.515 0.000 1.094 434 Y CA -0.508 57.271 58.100 -0.535 0.000 1.126 434 Y CB 1.719 39.716 38.460 -0.772 0.000 1.217 434 Y HN 0.686 nan 8.280 nan 0.000 0.462 461 L N 3.284 124.313 121.223 -0.323 0.000 2.806 461 L HA 0.467 4.820 4.340 0.023 0.000 0.242 461 L C -0.972 175.545 176.870 -0.588 0.000 1.068 461 L CA -0.017 54.580 54.840 -0.404 0.000 0.923 461 L CB 0.771 42.628 42.059 -0.336 0.000 1.364 461 L HN 0.681 nan 8.230 nan 0.000 0.511 462 Y N -1.200 119.059 120.300 -0.068 0.000 2.544 462 Y HA 0.450 5.013 4.550 0.023 0.000 0.342 462 Y C -0.983 174.952 175.900 0.059 0.000 1.062 462 Y CA -1.175 56.915 58.100 -0.017 0.000 1.023 462 Y CB 1.476 39.898 38.460 -0.064 0.000 1.308 462 Y HN -0.008 nan 8.280 nan 0.000 0.457 463 Y N -0.582 119.823 120.300 0.174 0.000 2.581 463 Y HA 0.936 5.500 4.550 0.024 0.000 0.345 463 Y C -1.852 174.156 175.900 0.181 0.000 1.036 463 Y CA -1.513 56.660 58.100 0.121 0.000 1.042 463 Y CB 1.718 40.227 38.460 0.081 0.000 1.289 463 Y HN 0.563 nan 8.280 nan 0.000 0.471 464 V N 1.909 121.967 119.914 0.240 0.000 3.204 464 V HA 0.523 4.657 4.120 0.023 0.000 0.298 464 V C -1.875 174.316 176.094 0.162 0.000 1.328 464 V CA -0.899 61.506 62.300 0.176 0.000 1.035 464 V CB 2.651 34.471 31.823 -0.004 0.000 1.095 464 V HN 0.989 nan 8.190 nan 0.000 0.442 465 N N 2.960 121.744 118.700 0.140 0.000 2.249 465 N HA 0.655 5.409 4.740 0.023 0.000 0.296 465 N C -1.788 173.726 175.510 0.007 0.000 1.051 465 N CA -0.376 52.716 53.050 0.070 0.000 0.815 465 N CB 2.651 41.187 38.487 0.081 0.000 1.487 465 N HN 0.514 nan 8.380 nan 0.000 0.475 466 L N 1.739 122.924 121.223 -0.063 0.000 2.409 466 L HA 0.510 4.863 4.340 0.023 0.000 0.272 466 L C -1.104 175.686 176.870 -0.133 0.000 0.980 466 L CA -0.535 54.233 54.840 -0.121 0.000 0.826 466 L CB 1.490 43.389 42.059 -0.265 0.000 1.268 466 L HN 0.462 nan 8.230 nan 0.000 0.407 467 L N 5.939 127.088 121.223 -0.123 0.000 2.500 467 L HA 0.088 4.442 4.340 0.023 0.000 0.272 467 L C 1.310 178.107 176.870 -0.122 0.000 1.149 467 L CA 0.185 54.928 54.840 -0.162 0.000 0.897 467 L CB 0.599 42.525 42.059 -0.221 0.000 1.178 467 L HN 0.796 nan 8.230 nan 0.000 0.473 468 L N 4.612 125.754 121.223 -0.135 0.000 2.046 468 L HA -0.056 4.298 4.340 0.023 0.000 0.208 468 L C 0.680 177.526 176.870 -0.040 0.000 1.077 468 L CA 1.252 56.024 54.840 -0.113 0.000 0.747 468 L CB 0.014 41.947 42.059 -0.210 0.000 0.896 468 L HN 0.520 nan 8.230 nan 0.000 0.432 469 I N 0.235 120.796 120.570 -0.016 0.000 2.377 469 I HA 0.110 4.294 4.170 0.023 0.000 0.293 469 I C -0.301 175.874 176.117 0.097 0.000 0.987 469 I CA -0.926 60.394 61.300 0.034 0.000 1.185 469 I CB 1.522 39.550 38.000 0.047 0.000 1.341 469 I HN 0.091 nan 8.210 nan 0.000 0.455 470 D N 5.053 125.471 120.400 0.030 0.000 2.440 470 D HA -0.012 4.642 4.640 0.023 0.000 0.269 470 D C 1.081 177.351 176.300 -0.050 0.000 1.249 470 D CA 0.016 54.038 54.000 0.037 0.000 1.055 470 D CB 0.290 40.986 40.800 -0.174 0.000 1.104 470 D HN 0.615 nan 8.370 nan 0.000 0.561 471 H N -1.142 117.871 119.070 -0.093 0.000 2.563 471 H HA 0.163 4.733 4.556 0.022 0.000 0.272 471 H C 0.560 175.639 175.328 -0.414 0.000 1.005 471 H CA 0.265 56.094 56.048 -0.365 0.000 1.171 471 H CB -0.149 29.472 29.762 -0.236 0.000 1.351 471 H HN 0.321 nan 8.280 nan 0.000 0.602 472 R N -0.220 119.958 120.500 -0.536 0.000 2.546 472 R HA 0.135 4.488 4.340 0.023 0.000 0.320 472 R C -0.499 175.888 176.300 0.144 0.000 1.021 472 R CA -0.382 55.606 56.100 -0.187 0.000 1.088 472 R CB 0.094 30.203 30.300 -0.318 0.000 1.278 472 R HN 0.055 nan 8.270 nan 0.000 0.557 473 F N -0.448 119.407 119.950 -0.157 0.000 3.034 473 F HA -0.276 4.264 4.527 0.022 0.000 0.286 473 F C -0.148 175.605 175.800 -0.079 0.000 0.804 473 F CA 0.308 58.259 58.000 -0.083 0.000 1.161 473 F CB -1.787 37.183 39.000 -0.050 0.000 1.317 473 F HN 0.063 nan 8.300 nan 0.000 0.453 474 L N 1.103 122.322 121.223 -0.006 0.000 2.312 474 L HA 0.431 4.785 4.340 0.023 0.000 0.281 474 L C 0.428 177.275 176.870 -0.038 0.000 1.070 474 L CA -1.144 53.660 54.840 -0.061 0.000 0.805 474 L CB 1.150 43.133 42.059 -0.127 0.000 1.174 474 L HN 0.033 nan 8.230 nan 0.000 0.434 475 L N 4.241 125.445 121.223 -0.031 0.000 2.534 475 L HA 0.080 4.433 4.340 0.023 0.000 0.271 475 L C 0.572 177.476 176.870 0.056 0.000 1.178 475 L CA 0.346 55.209 54.840 0.039 0.000 0.907 475 L CB 0.180 42.300 42.059 0.103 0.000 1.164 475 L HN 0.525 nan 8.230 nan 0.000 0.482 476 R N 5.160 125.708 120.500 0.080 0.000 2.343 476 R HA 0.252 4.606 4.340 0.023 0.000 0.326 476 R C -0.476 175.939 176.300 0.190 0.000 1.055 476 R CA 0.047 56.215 56.100 0.114 0.000 0.961 476 R CB 0.160 30.495 30.300 0.058 0.000 0.978 476 R HN 0.760 nan 8.270 nan 0.000 0.443 477 R N 2.889 123.521 120.500 0.221 0.000 2.637 477 R HA 0.622 4.975 4.340 0.023 0.000 0.291 477 R C -0.691 175.768 176.300 0.265 0.000 0.963 477 R CA 0.346 56.589 56.100 0.238 0.000 0.901 477 R CB 1.991 32.415 30.300 0.207 0.000 1.160 477 R HN 0.922 nan 8.270 nan 0.000 0.457 478 G N 1.841 110.791 108.800 0.251 0.000 2.318 478 G HA2 -0.118 3.855 3.960 0.023 0.000 0.367 478 G HA3 -0.118 3.855 3.960 0.023 0.000 0.367 478 G C -1.509 173.419 174.900 0.047 0.000 1.260 478 G CA -0.916 44.249 45.100 0.109 0.000 1.055 478 G HN 0.452 nan 8.290 nan 0.000 0.484 479 E N 0.007 120.071 120.200 -0.226 0.000 2.283 479 E HA 0.606 4.970 4.350 0.023 0.000 0.278 479 E C -1.236 175.012 176.600 -0.586 0.000 1.027 479 E CA 0.077 56.335 56.400 -0.236 0.000 0.843 479 E CB 1.390 30.987 29.700 -0.171 0.000 1.062 479 E HN 0.410 nan 8.360 nan 0.000 0.401 480 Y N -0.194 120.082 120.300 -0.040 0.000 2.433 480 Y HA 0.275 4.839 4.550 0.023 0.000 0.337 480 Y C -0.412 175.441 175.900 -0.078 0.000 1.026 480 Y CA -0.893 57.164 58.100 -0.072 0.000 1.037 480 Y CB 1.931 40.317 38.460 -0.122 0.000 1.245 480 Y HN 0.094 nan 8.280 nan 0.000 0.443 481 V N 5.395 125.348 119.914 0.065 0.000 2.325 481 V HA 0.377 4.511 4.120 0.023 0.000 0.280 481 V C -0.628 175.456 176.094 -0.017 0.000 1.016 481 V CA -0.656 61.638 62.300 -0.011 0.000 0.818 481 V CB 0.999 32.812 31.823 -0.015 0.000 1.019 481 V HN 0.581 nan 8.190 nan 0.000 0.434 482 L N 4.871 126.037 121.223 -0.095 0.000 2.276 482 L HA 0.526 4.880 4.340 0.023 0.000 0.286 482 L C 0.177 176.902 176.870 -0.241 0.000 1.024 482 L CA -0.516 54.266 54.840 -0.098 0.000 0.826 482 L CB 0.764 42.766 42.059 -0.095 0.000 1.211 482 L HN 0.571 nan 8.230 nan 0.000 0.422 483 H N 5.092 124.062 119.070 -0.166 0.000 2.767 483 H HA 0.316 4.885 4.556 0.023 0.000 0.316 483 H C -0.297 174.771 175.328 -0.434 0.000 1.059 483 H CA 0.182 56.073 56.048 -0.262 0.000 1.461 483 H CB 1.149 30.758 29.762 -0.256 0.000 1.475 483 H HN 0.470 nan 8.280 nan 0.000 0.531 484 M N 2.744 122.143 119.600 -0.334 0.000 2.472 484 M HA 0.210 4.704 4.480 0.023 0.000 0.331 484 M C -0.583 175.487 176.300 -0.384 0.000 1.170 484 M CA -0.717 54.364 55.300 -0.365 0.000 1.009 484 M CB 1.770 34.261 32.600 -0.182 0.000 1.672 484 M HN 0.438 nan 8.290 nan 0.000 0.453 485 W N 1.062 122.173 121.300 -0.314 0.000 2.303 485 W HA 0.418 5.091 4.660 0.023 0.000 0.334 485 W C 0.146 176.503 176.519 -0.270 0.000 1.197 485 W CA -0.254 56.844 57.345 -0.410 0.000 1.262 485 W CB 0.476 29.417 29.460 -0.866 0.000 1.153 485 W HN 0.483 nan 8.180 nan 0.000 0.596 486 Q N 1.769 121.647 119.800 0.131 0.000 2.256 486 Q HA 0.428 4.781 4.340 0.023 0.000 0.257 486 Q C -0.921 175.115 176.000 0.059 0.000 0.936 486 Q CA -0.954 54.840 55.803 -0.014 0.000 0.903 486 Q CB 1.087 29.813 28.738 -0.021 0.000 1.263 486 Q HN 0.419 nan 8.270 nan 0.000 0.440 487 I N 2.357 122.925 120.570 -0.003 0.000 2.496 487 I HA -0.013 4.171 4.170 0.023 0.000 0.285 487 I C 0.326 176.427 176.117 -0.026 0.000 1.080 487 I CA 0.642 61.960 61.300 0.030 0.000 1.404 487 I CB 1.376 39.357 38.000 -0.030 0.000 1.403 487 I HN 0.557 nan 8.210 nan 0.000 0.539 488 S N 5.230 120.934 115.700 0.005 0.000 2.670 488 S HA 0.162 4.646 4.470 0.023 0.000 0.308 488 S C 0.647 175.232 174.600 -0.025 0.000 1.232 488 S CA -0.165 58.032 58.200 -0.004 0.000 1.126 488 S CB -0.654 62.548 63.200 0.004 0.000 0.897 488 S HN 0.806 nan 8.310 nan 0.000 0.508 498 N N 0.284 119.062 118.700 0.131 0.000 2.521 498 N HA 0.432 5.185 4.740 0.023 0.000 0.269 498 N C 0.156 175.682 175.510 0.028 0.000 1.079 498 N CA 0.641 53.722 53.050 0.052 0.000 0.980 498 N CB 2.076 40.563 38.487 0.000 0.000 1.667 498 N HN 0.131 nan 8.380 nan 0.000 0.498 499 A N 2.299 125.149 122.820 0.050 0.000 2.070 499 A HA -0.110 4.224 4.320 0.023 0.000 0.220 499 A C 1.251 178.874 177.584 0.065 0.000 1.159 499 A CA 1.451 53.532 52.037 0.073 0.000 0.656 499 A CB -0.157 18.790 19.000 -0.089 0.000 0.800 499 A HN 0.746 nan 8.150 nan 0.000 0.453 500 D N 0.118 120.462 120.400 -0.092 0.000 2.117 500 D HA -0.100 4.554 4.640 0.023 0.000 0.198 500 D C 1.527 177.769 176.300 -0.096 0.000 0.982 500 D CA 1.025 54.851 54.000 -0.290 0.000 0.828 500 D CB -0.328 39.964 40.800 -0.847 0.000 0.967 500 D HN 0.439 nan 8.370 nan 0.000 0.464 501 K N 0.160 120.429 120.400 -0.218 0.000 2.588 501 K HA -0.097 4.237 4.320 0.023 0.000 0.196 501 K C 1.529 178.062 176.600 -0.111 0.000 1.044 501 K CA 0.407 56.418 56.287 -0.461 0.000 0.934 501 K CB 0.096 32.297 32.500 -0.498 0.000 0.773 501 K HN 0.237 nan 8.250 nan 0.000 0.489 502 L N -0.809 120.429 121.223 0.025 0.000 2.672 502 L HA 0.041 4.395 4.340 0.023 0.000 0.236 502 L C 1.056 177.972 176.870 0.078 0.000 1.092 502 L CA -0.087 54.796 54.840 0.072 0.000 0.887 502 L CB 0.586 42.722 42.059 0.128 0.000 1.168 502 L HN -0.001 nan 8.230 nan 0.000 0.502 503 T N -0.400 114.156 114.554 0.003 0.000 2.926 503 T HA -0.001 4.363 4.350 0.023 0.000 0.307 503 T C 1.324 176.033 174.700 0.015 0.000 1.059 503 T CA 0.298 62.319 62.100 -0.132 0.000 1.122 503 T CB 1.077 69.547 68.868 -0.663 0.000 0.972 503 T HN 0.323 nan 8.240 nan 0.000 0.545 504 S N 2.829 118.533 115.700 0.006 0.000 2.603 504 S HA 0.321 4.804 4.470 0.023 0.000 0.220 504 S C 0.863 175.537 174.600 0.123 0.000 0.967 504 S CA -0.124 58.098 58.200 0.036 0.000 0.920 504 S CB -0.079 63.079 63.200 -0.070 0.000 0.773 504 S HN 0.908 nan 8.310 nan 0.000 0.529 505 A N 2.725 125.621 122.820 0.127 0.000 2.366 505 A HA 0.544 4.878 4.320 0.023 0.000 0.272 505 A C 0.713 178.478 177.584 0.302 0.000 1.135 505 A CA -0.308 51.836 52.037 0.178 0.000 0.804 505 A CB 0.024 19.090 19.000 0.110 0.000 1.064 505 A HN 0.534 nan 8.150 nan 0.000 0.499 506 T N 0.845 115.474 114.554 0.126 0.000 2.909 506 T HA 0.264 4.627 4.350 0.023 0.000 0.289 506 T C 0.292 174.733 174.700 -0.432 0.000 1.005 506 T CA -0.847 61.185 62.100 -0.113 0.000 1.084 506 T CB 0.537 69.415 68.868 0.016 0.000 0.975 506 T HN 0.613 nan 8.240 nan 0.000 0.509 507 N N 3.416 121.481 118.700 -1.058 0.000 2.411 507 N HA 0.064 4.817 4.740 0.023 0.000 0.265 507 N C -1.221 173.984 175.510 -0.507 0.000 1.266 507 N CA -1.950 50.332 53.050 -1.279 0.000 0.889 507 N CB 0.994 38.690 38.487 -1.319 0.000 1.069 507 N HN 0.448 nan 8.380 nan 0.000 0.476 508 P HA -0.040 nan 4.420 nan 0.000 0.227 508 P C 0.041 177.228 177.300 -0.188 0.000 1.161 508 P CA 0.420 63.419 63.100 -0.169 0.000 0.788 508 P CB 0.160 31.842 31.700 -0.031 0.000 0.822 509 D N 1.459 121.751 120.400 -0.181 0.000 2.540 509 D HA -0.036 4.618 4.640 0.023 0.000 0.237 509 D C 0.901 177.070 176.300 -0.219 0.000 1.181 509 D CA 0.193 54.103 54.000 -0.149 0.000 1.119 509 D CB -0.167 40.580 40.800 -0.088 0.000 1.119 509 D HN 0.039 nan 8.370 nan 0.000 0.498 510 K N 1.478 121.692 120.400 -0.310 0.000 2.555 510 K HA -0.110 4.223 4.320 0.023 0.000 0.193 510 K C 1.428 177.889 176.600 -0.231 0.000 1.032 510 K CA 0.361 56.330 56.287 -0.529 0.000 1.004 510 K CB 0.441 32.579 32.500 -0.602 0.000 0.804 510 K HN 0.470 nan 8.250 nan 0.000 0.496 511 E N 0.950 121.075 120.200 -0.124 0.000 2.045 511 E HA -0.034 4.329 4.350 0.023 0.000 0.190 511 E C 1.310 177.898 176.600 -0.021 0.000 0.968 511 E CA 0.685 57.051 56.400 -0.057 0.000 0.813 511 E CB 0.282 29.951 29.700 -0.050 0.000 0.780 511 E HN 0.254 nan 8.360 nan 0.000 0.455 512 N N 0.554 119.243 118.700 -0.018 0.000 2.392 512 N HA -0.031 4.723 4.740 0.023 0.000 0.177 512 N C 0.253 175.774 175.510 0.019 0.000 1.066 512 N CA 0.358 53.410 53.050 0.003 0.000 0.895 512 N CB 0.496 38.990 38.487 0.011 0.000 0.988 512 N HN 0.056 nan 8.380 nan 0.000 0.457 513 S N 1.121 116.834 115.700 0.022 0.000 2.545 513 S HA 0.259 4.743 4.470 0.023 0.000 0.275 513 S C 0.214 174.809 174.600 -0.009 0.000 1.299 513 S CA -0.783 57.431 58.200 0.022 0.000 1.048 513 S CB 1.217 64.406 63.200 -0.019 0.000 0.938 513 S HN 0.119 nan 8.310 nan 0.000 0.496 514 M N 4.224 123.739 119.600 -0.141 0.000 2.250 514 M HA 0.313 4.806 4.480 0.023 0.000 0.337 514 M C 0.111 176.216 176.300 -0.325 0.000 1.161 514 M CA 0.722 55.826 55.300 -0.327 0.000 1.088 514 M CB 0.122 32.222 32.600 -0.833 0.000 1.639 514 M HN 1.000 nan 8.290 nan 0.000 0.447 515 S N 4.697 120.192 115.700 -0.341 0.000 2.851 515 S HA 0.929 5.413 4.470 0.023 0.000 0.317 515 S C -0.822 173.628 174.600 -0.250 0.000 1.144 515 S CA -0.848 57.104 58.200 -0.413 0.000 0.862 515 S CB 1.213 63.954 63.200 -0.766 0.000 1.259 515 S HN 1.051 nan 8.310 nan 0.000 0.564 516 I N 0.002 120.444 120.570 -0.213 0.000 2.828 516 I HA 0.566 4.749 4.170 0.023 0.000 0.295 516 I C -1.956 174.112 176.117 -0.081 0.000 1.459 516 I CA -0.068 61.166 61.300 -0.110 0.000 1.015 516 I CB 2.115 40.060 38.000 -0.091 0.000 1.345 516 I HN 0.873 nan 8.210 nan 0.000 0.449 517 S N 7.400 123.078 115.700 -0.036 0.000 2.557 517 S HA 0.847 5.331 4.470 0.023 0.000 0.291 517 S C -0.799 173.798 174.600 -0.005 0.000 1.116 517 S CA -0.607 57.582 58.200 -0.018 0.000 0.992 517 S CB 1.607 64.791 63.200 -0.027 0.000 1.028 517 S HN 0.702 nan 8.310 nan 0.000 0.484 518 I N -0.307 120.279 120.570 0.027 0.000 3.006 518 I HA 0.815 4.999 4.170 0.023 0.000 0.306 518 I C -1.972 174.183 176.117 0.064 0.000 1.250 518 I CA -1.352 59.965 61.300 0.028 0.000 0.996 518 I CB 1.878 39.907 38.000 0.050 0.000 1.261 518 I HN 0.575 nan 8.210 nan 0.000 0.442 519 L N 4.869 126.097 121.223 0.008 0.000 2.362 519 L HA 0.659 5.012 4.340 0.023 0.000 0.271 519 L C -1.775 175.178 176.870 0.138 0.000 1.002 519 L CA -0.521 54.354 54.840 0.058 0.000 0.818 519 L CB 1.936 43.976 42.059 -0.032 0.000 1.298 519 L HN 0.565 nan 8.230 nan 0.000 0.420 520 L N 4.576 125.928 121.223 0.214 0.000 2.353 520 L HA 0.499 4.853 4.340 0.023 0.000 0.270 520 L C -1.114 175.884 176.870 0.214 0.000 1.003 520 L CA -0.122 54.850 54.840 0.221 0.000 0.862 520 L CB 1.138 43.348 42.059 0.252 0.000 1.221 520 L HN 0.651 nan 8.230 nan 0.000 0.430 521 D N 3.502 124.037 120.400 0.225 0.000 2.481 521 D HA 0.446 5.100 4.640 0.023 0.000 0.246 521 D C -0.676 175.663 176.300 0.064 0.000 1.109 521 D CA -0.092 54.001 54.000 0.155 0.000 0.845 521 D CB 1.733 42.640 40.800 0.178 0.000 1.160 521 D HN 0.452 nan 8.370 nan 0.000 0.534 526 P HA 0.546 nan 4.420 nan 0.000 0.300 526 P C -0.170 177.188 177.300 0.097 0.000 1.336 526 P CA -0.470 62.669 63.100 0.064 0.000 0.824 526 P CB 1.992 33.721 31.700 0.048 0.000 2.091 527 I N -0.567 120.063 120.570 0.100 0.000 2.498 527 I HA 0.671 4.854 4.170 0.023 0.000 0.290 527 I C -0.305 175.851 176.117 0.066 0.000 1.032 527 I CA -0.891 60.473 61.300 0.106 0.000 1.073 527 I CB 1.846 39.957 38.000 0.185 0.000 1.251 527 I HN 0.303 nan 8.210 nan 0.000 0.426 545 A N 0.371 123.169 122.820 -0.035 0.000 2.141 545 A HA 0.317 4.651 4.320 0.023 0.000 0.196 545 A C -0.276 177.289 177.584 -0.032 0.000 1.502 545 A CA -0.255 51.767 52.037 -0.026 0.000 1.075 545 A CB 0.299 19.279 19.000 -0.033 0.000 1.217 545 A HN 0.202 nan 8.150 nan 0.000 0.477 546 E N 0.298 120.484 120.200 -0.024 0.000 2.608 546 E HA 0.182 4.546 4.350 0.023 0.000 0.259 546 E C -0.796 175.765 176.600 -0.065 0.000 0.951 546 E CA 0.879 57.261 56.400 -0.029 0.000 0.945 546 E CB 0.168 29.866 29.700 -0.003 0.000 0.916 546 E HN 0.418 nan 8.360 nan 0.000 0.477 547 M N 3.603 123.134 119.600 -0.115 0.000 2.255 547 M HA 0.214 4.707 4.480 0.023 0.000 0.275 547 M C -2.471 173.737 176.300 -0.154 0.000 1.050 547 M CA -1.843 53.321 55.300 -0.226 0.000 0.978 547 M CB 2.293 34.642 32.600 -0.419 0.000 1.761 547 M HN 0.309 nan 8.290 nan 0.000 0.479 548 P HA 0.115 nan 4.420 nan 0.000 0.268 548 P C -0.248 177.000 177.300 -0.085 0.000 1.208 548 P CA -0.009 63.052 63.100 -0.066 0.000 0.777 548 P CB 0.775 32.461 31.700 -0.024 0.000 0.875 549 N N 1.084 119.751 118.700 -0.055 0.000 2.135 549 N HA -0.161 4.593 4.740 0.023 0.000 0.186 549 N C 1.564 177.046 175.510 -0.048 0.000 1.027 549 N CA 1.086 54.104 53.050 -0.053 0.000 0.849 549 N CB -0.216 38.250 38.487 -0.034 0.000 1.002 549 N HN 0.511 nan 8.380 nan 0.000 0.425 550 Q N 1.413 121.195 119.800 -0.031 0.000 2.226 550 Q HA 0.020 4.373 4.340 0.023 0.000 0.204 550 Q C 1.933 177.920 176.000 -0.021 0.000 0.975 550 Q CA 0.985 56.776 55.803 -0.020 0.000 0.866 550 Q CB -0.197 28.537 28.738 -0.006 0.000 0.915 550 Q HN 0.391 nan 8.270 nan 0.000 0.440 551 L N -0.218 120.985 121.223 -0.033 0.000 2.068 551 L HA -0.053 4.300 4.340 0.023 0.000 0.204 551 L C 2.625 179.444 176.870 -0.086 0.000 1.076 551 L CA 1.470 56.292 54.840 -0.030 0.000 0.753 551 L CB -0.641 41.410 42.059 -0.012 0.000 0.910 551 L HN 0.283 nan 8.230 nan 0.000 0.439 552 R N 1.178 121.591 120.500 -0.145 0.000 2.096 552 R HA -0.182 4.172 4.340 0.023 0.000 0.235 552 R C 2.044 178.290 176.300 -0.090 0.000 1.127 552 R CA 1.474 57.482 56.100 -0.153 0.000 0.968 552 R CB -0.213 29.994 30.300 -0.154 0.000 0.861 552 R HN 0.257 nan 8.270 nan 0.000 0.440 553 K N 0.567 120.931 120.400 -0.061 0.000 2.057 553 K HA -0.145 4.189 4.320 0.023 0.000 0.207 553 K C 2.362 178.944 176.600 -0.031 0.000 1.049 553 K CA 2.029 58.293 56.287 -0.039 0.000 0.931 553 K CB -0.093 32.391 32.500 -0.027 0.000 0.714 553 K HN 0.353 nan 8.250 nan 0.000 0.440 554 Q N 0.445 120.232 119.800 -0.022 0.000 2.124 554 Q HA -0.147 4.207 4.340 0.023 0.000 0.202 554 Q C 2.125 178.119 176.000 -0.011 0.000 0.977 554 Q CA 0.929 56.728 55.803 -0.007 0.000 0.850 554 Q CB -0.103 28.642 28.738 0.012 0.000 0.901 554 Q HN 0.163 nan 8.270 nan 0.000 0.429 555 L N 1.254 122.462 121.223 -0.025 0.000 2.017 555 L HA -0.192 4.161 4.340 0.023 0.000 0.208 555 L C 1.826 178.653 176.870 -0.073 0.000 1.073 555 L CA 1.882 56.698 54.840 -0.040 0.000 0.745 555 L CB -0.266 41.750 42.059 -0.071 0.000 0.894 555 L HN 0.150 nan 8.230 nan 0.000 0.432 556 E N -0.806 119.344 120.200 -0.082 0.000 2.107 556 E HA -0.134 4.230 4.350 0.023 0.000 0.191 556 E C 2.167 178.742 176.600 -0.041 0.000 0.982 556 E CA 0.869 57.220 56.400 -0.081 0.000 0.809 556 E CB -0.224 29.440 29.700 -0.059 0.000 0.756 556 E HN 0.626 nan 8.360 nan 0.000 0.459 557 A N 1.434 124.237 122.820 -0.028 0.000 1.883 557 A HA -0.216 4.117 4.320 0.023 0.000 0.217 557 A C 2.168 179.746 177.584 -0.011 0.000 1.186 557 A CA 1.268 53.296 52.037 -0.015 0.000 0.624 557 A CB -0.669 18.325 19.000 -0.011 0.000 0.822 557 A HN 0.138 nan 8.150 nan 0.000 0.444 558 I N -0.380 120.183 120.570 -0.011 0.000 2.127 558 I HA -0.282 3.902 4.170 0.023 0.000 0.241 558 I C 2.299 178.415 176.117 -0.002 0.000 1.075 558 I CA 1.577 62.875 61.300 -0.003 0.000 1.334 558 I CB -0.293 37.708 38.000 0.002 0.000 1.040 558 I HN 0.311 nan 8.210 nan 0.000 0.405 559 I N 0.451 121.010 120.570 -0.020 0.000 2.361 559 I HA -0.306 3.878 4.170 0.023 0.000 0.251 559 I C 2.698 178.822 176.117 0.010 0.000 1.133 559 I CA 1.212 62.505 61.300 -0.011 0.000 1.413 559 I CB -0.490 37.474 38.000 -0.059 0.000 1.073 559 I HN 0.218 nan 8.210 nan 0.000 0.424 560 A N -0.267 122.555 122.820 0.002 0.000 1.877 560 A HA -0.149 4.185 4.320 0.023 0.000 0.216 560 A C 1.728 179.318 177.584 0.010 0.000 1.186 560 A CA 1.597 53.639 52.037 0.009 0.000 0.620 560 A CB -0.868 18.132 19.000 0.001 0.000 0.822 560 A HN 0.372 nan 8.150 nan 0.000 0.443 561 T N 1.363 115.921 114.554 0.007 0.000 2.856 561 T HA 0.153 4.516 4.350 0.023 0.000 0.329 561 T C 0.282 174.990 174.700 0.013 0.000 1.094 561 T CA 0.244 62.347 62.100 0.006 0.000 1.112 561 T CB -0.132 68.739 68.868 0.005 0.000 1.009 561 T HN 0.587 nan 8.240 nan 0.000 0.550 562 D N 3.529 123.933 120.400 0.007 0.000 2.369 562 D HA 0.092 4.746 4.640 0.023 0.000 0.241 562 D C -1.961 174.356 176.300 0.029 0.000 1.271 562 D CA -1.383 52.624 54.000 0.011 0.000 0.942 562 D CB 0.142 40.940 40.800 -0.003 0.000 1.129 562 D HN 0.277 nan 8.370 nan 0.000 0.476 563 P HA 0.079 nan 4.420 nan 0.000 0.233 563 P C 1.097 178.427 177.300 0.051 0.000 1.167 563 P CA 0.643 63.778 63.100 0.059 0.000 0.770 563 P CB 0.159 31.899 31.700 0.067 0.000 0.837 564 L N -1.872 119.371 121.223 0.033 0.000 2.640 564 L HA 0.184 4.538 4.340 0.023 0.000 0.230 564 L C 0.775 177.652 176.870 0.013 0.000 1.123 564 L CA -0.299 54.555 54.840 0.024 0.000 0.900 564 L CB -0.384 41.691 42.059 0.027 0.000 1.146 564 L HN -0.057 nan 8.230 nan 0.000 0.484 565 N N 1.410 120.119 118.700 0.013 0.000 2.497 565 N HA 0.151 4.905 4.740 0.023 0.000 0.268 565 N C -2.436 173.080 175.510 0.011 0.000 1.171 565 N CA -1.005 52.049 53.050 0.008 0.000 0.948 565 N CB 0.880 39.371 38.487 0.007 0.000 1.069 565 N HN -0.149 nan 8.380 nan 0.000 0.460 566 P HA 0.173 nan 4.420 nan 0.000 0.279 566 P C -0.871 176.433 177.300 0.007 0.000 1.239 566 P CA -0.170 62.931 63.100 0.002 0.000 0.789 566 P CB 0.695 32.392 31.700 -0.005 0.000 0.933 567 L N 2.419 123.648 121.223 0.010 0.000 2.281 567 L HA 0.227 4.580 4.340 0.023 0.000 0.285 567 L C 0.926 177.800 176.870 0.005 0.000 1.074 567 L CA -0.295 54.553 54.840 0.013 0.000 0.817 567 L CB 0.416 42.489 42.059 0.022 0.000 1.168 567 L HN 0.360 nan 8.230 nan 0.000 0.434 568 T N 2.088 116.645 114.554 0.005 0.000 2.906 568 T HA 0.002 4.365 4.350 0.023 0.000 0.320 568 T C 1.379 176.079 174.700 -0.000 0.000 1.088 568 T CA 0.383 62.484 62.100 0.002 0.000 1.120 568 T CB 1.364 70.234 68.868 0.004 0.000 1.000 568 T HN 0.790 nan 8.240 nan 0.000 0.550 569 A N 1.860 124.676 122.820 -0.006 0.000 1.892 569 A HA -0.167 4.166 4.320 0.023 0.000 0.218 569 A C 2.226 179.806 177.584 -0.007 0.000 1.188 569 A CA 2.087 54.116 52.037 -0.013 0.000 0.631 569 A CB -0.724 18.265 19.000 -0.018 0.000 0.822 569 A HN 0.976 nan 8.150 nan 0.000 0.447 570 E N -0.425 119.773 120.200 -0.003 0.000 2.085 570 E HA -0.256 4.107 4.350 0.023 0.000 0.194 570 E C 1.453 178.064 176.600 0.017 0.000 0.994 570 E CA 1.426 57.829 56.400 0.004 0.000 0.801 570 E CB -0.205 29.498 29.700 0.006 0.000 0.743 570 E HN 0.552 nan 8.360 nan 0.000 0.453 571 D N 0.668 121.078 120.400 0.018 0.000 2.106 571 D HA -0.188 4.466 4.640 0.023 0.000 0.191 571 D C 1.903 178.223 176.300 0.033 0.000 0.997 571 D CA 1.289 55.305 54.000 0.026 0.000 0.834 571 D CB -0.202 40.609 40.800 0.019 0.000 0.956 571 D HN 0.153 nan 8.370 nan 0.000 0.448 572 K N 0.373 120.787 120.400 0.024 0.000 2.063 572 K HA -0.141 4.193 4.320 0.023 0.000 0.208 572 K C 2.108 178.742 176.600 0.056 0.000 1.048 572 K CA 1.146 57.450 56.287 0.028 0.000 0.928 572 K CB -0.037 32.463 32.500 -0.001 0.000 0.713 572 K HN 0.263 nan 8.250 nan 0.000 0.442 573 E N 0.590 120.813 120.200 0.039 0.000 2.152 573 E HA -0.124 4.239 4.350 0.023 0.000 0.192 573 E C 1.996 178.637 176.600 0.068 0.000 0.983 573 E CA 0.359 56.793 56.400 0.058 0.000 0.818 573 E CB 0.066 29.767 29.700 0.002 0.000 0.758 573 E HN 0.205 nan 8.360 nan 0.000 0.467 574 L N 0.957 122.218 121.223 0.063 0.000 1.976 574 L HA -0.191 4.163 4.340 0.023 0.000 0.209 574 L C 2.275 179.211 176.870 0.110 0.000 1.071 574 L CA 1.244 56.146 54.840 0.103 0.000 0.746 574 L CB -0.420 41.713 42.059 0.124 0.000 0.890 574 L HN 0.258 nan 8.230 nan 0.000 0.432 575 L N -0.865 120.406 121.223 0.080 0.000 2.013 575 L HA -0.329 4.025 4.340 0.023 0.000 0.212 575 L C 2.379 179.249 176.870 -0.001 0.000 1.073 575 L CA 2.003 56.864 54.840 0.035 0.000 0.753 575 L CB -1.611 40.458 42.059 0.017 0.000 0.890 575 L HN 0.593 nan 8.230 nan 0.000 0.432 576 W N 0.400 121.629 121.300 -0.119 0.000 2.378 576 W HA -0.245 4.424 4.660 0.014 0.000 0.313 576 W C 2.652 179.080 176.519 -0.152 0.000 1.197 576 W CA 1.681 58.931 57.345 -0.158 0.000 1.304 576 W CB -0.595 28.775 29.460 -0.148 0.000 1.148 576 W HN 0.344 nan 8.180 nan 0.000 0.494 577 H N -0.893 117.970 119.070 -0.345 0.000 2.421 577 H HA -0.148 4.420 4.556 0.020 0.000 0.298 577 H C 0.371 175.287 175.328 -0.687 0.000 1.087 577 H CA 1.374 57.078 56.048 -0.572 0.000 1.330 577 H CB -0.559 28.847 29.762 -0.593 0.000 1.388 577 H HN 0.033 nan 8.280 nan 0.000 0.526 578 F N 1.470 121.284 119.950 -0.226 0.000 2.983 578 F HA 0.202 4.726 4.527 -0.005 0.000 0.307 578 F C 1.727 177.352 175.800 -0.292 0.000 1.218 578 F CA -0.639 57.215 58.000 -0.242 0.000 1.323 578 F CB 0.241 39.165 39.000 -0.126 0.000 0.989 578 F HN 0.098 nan 8.300 nan 0.000 0.509 579 R N -1.119 119.147 120.500 -0.390 0.000 2.127 579 R HA -0.205 4.149 4.340 0.023 0.000 0.238 579 R C 0.942 176.955 176.300 -0.478 0.000 1.134 579 R CA 1.705 57.471 56.100 -0.557 0.000 0.975 579 R CB -0.847 28.865 30.300 -0.980 0.000 0.865 579 R HN 0.360 nan 8.270 nan 0.000 0.447 580 Y N 1.083 121.262 120.300 -0.202 0.000 2.220 580 Y HA -0.102 4.460 4.550 0.021 0.000 0.291 580 Y C 2.579 178.453 175.900 -0.043 0.000 1.129 580 Y CA 1.272 59.301 58.100 -0.118 0.000 1.161 580 Y CB -0.066 38.330 38.460 -0.107 0.000 0.997 580 Y HN 0.112 nan 8.280 nan 0.000 0.522 581 E N 0.235 120.512 120.200 0.129 0.000 2.110 581 E HA -0.151 4.213 4.350 0.023 0.000 0.193 581 E C 2.153 178.815 176.600 0.102 0.000 0.988 581 E CA 1.626 58.084 56.400 0.097 0.000 0.804 581 E CB -0.268 29.440 29.700 0.013 0.000 0.745 581 E HN 0.234 nan 8.360 nan 0.000 0.458 582 S N 0.008 115.703 115.700 -0.008 0.000 2.399 582 S HA -0.138 4.346 4.470 0.023 0.000 0.231 582 S C 1.655 176.253 174.600 -0.003 0.000 1.022 582 S CA 0.846 59.007 58.200 -0.065 0.000 0.983 582 S CB -0.259 62.832 63.200 -0.182 0.000 0.803 582 S HN 0.228 nan 8.310 nan 0.000 0.480 583 L N 1.559 122.756 121.223 -0.043 0.000 2.376 583 L HA 0.098 4.452 4.340 0.023 0.000 0.219 583 L C 1.675 178.710 176.870 0.274 0.000 1.133 583 L CA 1.423 56.251 54.840 -0.021 0.000 0.816 583 L CB -0.349 41.677 42.059 -0.056 0.000 0.933 583 L HN 0.104 nan 8.230 nan 0.000 0.449 584 K N -1.175 119.388 120.400 0.271 0.000 2.486 584 K HA 0.038 4.372 4.320 0.023 0.000 0.194 584 K C -0.239 176.408 176.600 0.080 0.000 1.033 584 K CA 0.418 56.809 56.287 0.174 0.000 1.004 584 K CB -0.076 32.468 32.500 0.074 0.000 0.798 584 K HN 0.448 nan 8.250 nan 0.000 0.495 585 H N -0.186 119.013 119.070 0.215 0.000 2.866 585 H HA 0.117 4.690 4.556 0.029 0.000 0.287 585 H C -2.226 173.305 175.328 0.337 0.000 1.106 585 H CA -2.113 54.051 56.048 0.193 0.000 1.396 585 H CB 1.680 31.513 29.762 0.119 0.000 1.469 585 H HN -0.143 nan 8.280 nan 0.000 0.500 586 P HA -0.248 nan 4.420 nan 0.000 0.220 586 P C 1.454 178.949 177.300 0.326 0.000 1.155 586 P CA 1.609 64.818 63.100 0.182 0.000 0.880 586 P CB 0.345 32.032 31.700 -0.023 0.000 0.790 587 K N -1.364 119.192 120.400 0.260 0.000 2.362 587 K HA 0.019 4.353 4.320 0.023 0.000 0.200 587 K C 1.809 178.550 176.600 0.235 0.000 1.046 587 K CA 1.020 57.434 56.287 0.210 0.000 0.952 587 K CB -0.256 32.326 32.500 0.136 0.000 0.753 587 K HN 0.101 nan 8.250 nan 0.000 0.466 588 A N -0.082 122.916 122.820 0.298 0.000 2.178 588 A HA -0.032 4.301 4.320 0.023 0.000 0.211 588 A C 1.323 179.004 177.584 0.161 0.000 1.157 588 A CA 0.338 52.478 52.037 0.172 0.000 0.780 588 A CB -0.260 18.785 19.000 0.076 0.000 0.828 588 A HN 0.159 nan 8.150 nan 0.000 0.476 589 Y N 0.710 121.049 120.300 0.065 0.000 2.081 589 Y HA -0.148 4.416 4.550 0.024 0.000 0.280 589 Y C -0.165 175.817 175.900 0.137 0.000 1.163 589 Y CA 2.277 60.403 58.100 0.043 0.000 1.135 589 Y CB -1.866 36.657 38.460 0.105 0.000 0.970 589 Y HN 0.265 nan 8.280 nan 0.000 0.498 590 P HA -0.203 nan 4.420 nan 0.000 0.215 590 P C 1.231 178.760 177.300 0.383 0.000 1.163 590 P CA 2.461 65.719 63.100 0.264 0.000 0.894 590 P CB -0.025 31.806 31.700 0.219 0.000 0.791 591 K N -1.240 119.292 120.400 0.220 0.000 2.148 591 K HA -0.099 4.235 4.320 0.023 0.000 0.204 591 K C 1.983 178.642 176.600 0.099 0.000 1.050 591 K CA 0.821 57.203 56.287 0.157 0.000 0.942 591 K CB -0.794 31.760 32.500 0.090 0.000 0.724 591 K HN 0.041 nan 8.250 nan 0.000 0.446 592 L N 0.009 121.212 121.223 -0.034 0.000 2.056 592 L HA -0.034 4.319 4.340 0.023 0.000 0.207 592 L C 1.581 178.357 176.870 -0.156 0.000 1.078 592 L CA 1.653 56.358 54.840 -0.225 0.000 0.749 592 L CB -0.241 41.463 42.059 -0.593 0.000 0.901 592 L HN 0.076 nan 8.230 nan 0.000 0.433 593 F N -1.129 118.950 119.950 0.215 0.000 2.661 593 F HA -0.001 4.543 4.527 0.028 0.000 0.298 593 F C 2.307 178.421 175.800 0.525 0.000 1.137 593 F CA 0.671 58.893 58.000 0.371 0.000 1.454 593 F CB -0.180 39.090 39.000 0.449 0.000 1.103 593 F HN 0.289 nan 8.300 nan 0.000 0.577 594 S N -1.935 114.091 115.700 0.543 0.000 2.572 594 S HA 0.086 4.570 4.470 0.023 0.000 0.228 594 S C 1.167 175.853 174.600 0.145 0.000 0.963 594 S CA -0.006 58.385 58.200 0.318 0.000 0.939 594 S CB -0.111 63.200 63.200 0.186 0.000 0.804 594 S HN 0.054 nan 8.310 nan 0.000 0.480 595 S N 0.767 116.521 115.700 0.091 0.000 2.539 595 S HA 0.333 4.817 4.470 0.023 0.000 0.221 595 S C 0.182 174.678 174.600 -0.173 0.000 0.987 595 S CA -0.302 57.895 58.200 -0.005 0.000 0.929 595 S CB 0.536 63.767 63.200 0.051 0.000 0.832 595 S HN 0.411 nan 8.310 nan 0.000 0.492 596 V N 2.938 122.678 119.914 -0.289 0.000 2.530 596 V HA 0.186 4.320 4.120 0.023 0.000 0.282 596 V C 0.233 175.859 176.094 -0.780 0.000 1.048 596 V CA -0.316 61.520 62.300 -0.774 0.000 0.997 596 V CB 0.971 32.091 31.823 -1.171 0.000 0.987 596 V HN 0.199 nan 8.190 nan 0.000 0.477 597 K N 4.746 124.693 120.400 -0.755 0.000 2.167 597 K HA 0.096 4.430 4.320 0.023 0.000 0.275 597 K C 0.147 176.476 176.600 -0.450 0.000 1.103 597 K CA 0.225 56.223 56.287 -0.481 0.000 0.963 597 K CB 0.159 32.394 32.500 -0.442 0.000 1.243 597 K HN 0.691 nan 8.250 nan 0.000 0.407 598 W N 0.949 122.104 121.300 -0.243 0.000 2.595 598 W HA 0.001 4.677 4.660 0.025 0.000 0.257 598 W C 1.748 178.078 176.519 -0.315 0.000 1.267 598 W CA -0.091 57.063 57.345 -0.318 0.000 1.300 598 W CB 0.423 29.600 29.460 -0.470 0.000 1.120 598 W HN 0.618 nan 8.180 nan 0.000 0.618 599 G N -0.015 108.757 108.800 -0.047 0.000 3.440 599 G HA2 0.099 4.072 3.960 0.023 0.000 0.263 599 G HA3 0.099 4.072 3.960 0.023 0.000 0.263 599 G C 0.026 174.871 174.900 -0.090 0.000 1.236 599 G CA -0.202 44.855 45.100 -0.071 0.000 0.927 599 G HN 0.105 nan 8.290 nan 0.000 0.530 600 Q N -0.353 119.370 119.800 -0.128 0.000 2.290 600 Q HA 0.180 4.533 4.340 0.023 0.000 0.269 600 Q C 0.907 176.827 176.000 -0.135 0.000 1.016 600 Q CA -0.522 55.201 55.803 -0.133 0.000 0.754 600 Q CB 2.020 30.651 28.738 -0.179 0.000 1.247 600 Q HN 0.387 nan 8.270 nan 0.000 0.451 601 Q N 2.356 122.100 119.800 -0.092 0.000 2.046 601 Q HA -0.183 4.170 4.340 0.023 0.000 0.200 601 Q C 0.649 176.589 176.000 -0.100 0.000 0.975 601 Q CA 2.054 57.806 55.803 -0.085 0.000 0.836 601 Q CB 0.145 28.854 28.738 -0.048 0.000 0.896 601 Q HN 0.651 nan 8.270 nan 0.000 0.428 602 E N 0.178 120.332 120.200 -0.078 0.000 2.338 602 E HA -0.078 4.286 4.350 0.023 0.000 0.197 602 E C 1.877 178.441 176.600 -0.060 0.000 1.007 602 E CA 0.786 57.153 56.400 -0.054 0.000 0.849 602 E CB -0.016 29.668 29.700 -0.027 0.000 0.774 602 E HN 0.521 nan 8.360 nan 0.000 0.506 603 I N 0.162 120.653 120.570 -0.132 0.000 2.400 603 I HA -0.169 4.015 4.170 0.023 0.000 0.248 603 I C 2.275 178.264 176.117 -0.214 0.000 1.109 603 I CA 0.503 61.687 61.300 -0.193 0.000 1.425 603 I CB -0.115 37.621 38.000 -0.440 0.000 1.094 603 I HN -0.002 nan 8.210 nan 0.000 0.425 604 V N 1.574 121.327 119.914 -0.269 0.000 2.332 604 V HA -0.326 3.807 4.120 0.023 0.000 0.248 604 V C 2.807 178.670 176.094 -0.385 0.000 1.055 604 V CA 2.138 64.245 62.300 -0.321 0.000 1.038 604 V CB -0.949 30.725 31.823 -0.248 0.000 0.651 604 V HN 0.484 nan 8.190 nan 0.000 0.450 605 A N -0.610 122.054 122.820 -0.259 0.000 1.908 605 A HA -0.268 4.066 4.320 0.023 0.000 0.218 605 A C 2.295 179.888 177.584 0.014 0.000 1.181 605 A CA 2.089 54.038 52.037 -0.147 0.000 0.627 605 A CB -0.449 18.515 19.000 -0.061 0.000 0.818 605 A HN 0.556 nan 8.150 nan 0.000 0.445 606 K N -0.935 119.502 120.400 0.061 0.000 2.097 606 K HA -0.086 4.248 4.320 0.023 0.000 0.205 606 K C 2.062 178.778 176.600 0.193 0.000 1.050 606 K CA 1.654 58.034 56.287 0.155 0.000 0.938 606 K CB -0.358 32.293 32.500 0.250 0.000 0.718 606 K HN 0.527 nan 8.250 nan 0.000 0.442 607 T N 0.565 115.259 114.554 0.234 0.000 2.788 607 T HA -0.154 4.210 4.350 0.023 0.000 0.268 607 T C 1.690 176.656 174.700 0.444 0.000 1.044 607 T CA 1.222 63.510 62.100 0.314 0.000 1.139 607 T CB -0.371 68.639 68.868 0.238 0.000 0.867 607 T HN 0.316 nan 8.240 nan 0.000 0.454 608 Y N 1.072 121.460 120.300 0.147 0.000 2.200 608 Y HA -0.142 4.422 4.550 0.022 0.000 0.290 608 Y C 3.047 179.010 175.900 0.105 0.000 1.137 608 Y CA 0.559 58.735 58.100 0.127 0.000 1.163 608 Y CB -0.143 38.388 38.460 0.119 0.000 0.988 608 Y HN 0.201 nan 8.280 nan 0.000 0.518 609 Q N 0.459 120.421 119.800 0.269 0.000 2.170 609 Q HA -0.191 4.163 4.340 0.023 0.000 0.203 609 Q C 2.292 178.392 176.000 0.167 0.000 0.976 609 Q CA 0.876 56.790 55.803 0.185 0.000 0.858 609 Q CB -0.079 28.753 28.738 0.156 0.000 0.907 609 Q HN 0.502 nan 8.270 nan 0.000 0.433 610 L N 0.212 121.518 121.223 0.138 0.000 1.970 610 L HA -0.224 4.129 4.340 0.023 0.000 0.212 610 L C 1.957 178.894 176.870 0.111 0.000 1.071 610 L CA 1.432 56.304 54.840 0.053 0.000 0.751 610 L CB -0.411 41.600 42.059 -0.079 0.000 0.889 610 L HN 0.383 nan 8.230 nan 0.000 0.432 611 L N -0.217 121.097 121.223 0.152 0.000 2.651 611 L HA -0.168 4.185 4.340 0.023 0.000 0.236 611 L C 2.082 179.014 176.870 0.103 0.000 1.173 611 L CA 0.502 55.418 54.840 0.127 0.000 0.843 611 L CB -0.520 41.575 42.059 0.060 0.000 0.964 611 L HN 0.293 nan 8.230 nan 0.000 0.454 612 A N -0.749 122.140 122.820 0.115 0.000 2.308 612 A HA 0.104 4.438 4.320 0.023 0.000 0.217 612 A C 1.268 178.923 177.584 0.117 0.000 1.216 612 A CA -0.098 52.001 52.037 0.104 0.000 0.864 612 A CB 0.045 19.104 19.000 0.097 0.000 0.902 612 A HN 0.215 nan 8.150 nan 0.000 0.499 613 R N 0.077 120.663 120.500 0.144 0.000 3.039 613 R HA 0.239 4.592 4.340 0.023 0.000 0.336 613 R C 0.402 176.811 176.300 0.182 0.000 1.258 613 R CA -0.199 55.994 56.100 0.155 0.000 1.125 613 R CB -0.469 29.945 30.300 0.189 0.000 1.427 613 R HN 0.353 nan 8.270 nan 0.000 0.588 614 R N 0.989 121.600 120.500 0.185 0.000 2.325 614 R HA 0.028 4.382 4.340 0.023 0.000 0.214 614 R C 0.692 177.135 176.300 0.239 0.000 0.961 614 R CA 0.141 56.394 56.100 0.254 0.000 1.086 614 R CB 0.180 30.622 30.300 0.237 0.000 1.037 614 R HN 0.344 nan 8.270 nan 0.000 0.493 615 E N -0.432 119.869 120.200 0.169 0.000 2.086 615 E HA -0.248 4.116 4.350 0.023 0.000 0.200 615 E C 1.719 178.388 176.600 0.114 0.000 1.012 615 E CA 1.770 58.242 56.400 0.119 0.000 0.812 615 E CB 0.035 29.788 29.700 0.088 0.000 0.743 615 E HN 0.127 nan 8.360 nan 0.000 0.453 616 V N 0.843 120.850 119.914 0.154 0.000 2.307 616 V HA -0.223 3.911 4.120 0.023 0.000 0.245 616 V C 1.943 178.101 176.094 0.107 0.000 1.045 616 V CA 1.631 64.005 62.300 0.123 0.000 1.024 616 V CB -0.638 31.278 31.823 0.155 0.000 0.651 616 V HN 0.548 nan 8.190 nan 0.000 0.449 617 W N 1.348 122.642 121.300 -0.010 0.000 2.335 617 W HA -0.217 4.456 4.660 0.021 0.000 0.311 617 W C 2.026 178.488 176.519 -0.095 0.000 1.213 617 W CA 2.139 59.397 57.345 -0.146 0.000 1.274 617 W CB -0.308 29.059 29.460 -0.156 0.000 1.148 617 W HN 0.352 nan 8.180 nan 0.000 0.498 618 D N -0.064 120.378 120.400 0.070 0.000 2.218 618 D HA -0.177 4.477 4.640 0.023 0.000 0.204 618 D C 1.896 178.127 176.300 -0.115 0.000 0.976 618 D CA 1.499 55.485 54.000 -0.024 0.000 0.853 618 D CB -0.402 40.447 40.800 0.081 0.000 0.939 618 D HN 0.405 nan 8.370 nan 0.000 0.481 619 Q N -0.157 119.586 119.800 -0.095 0.000 2.319 619 Q HA 0.086 4.440 4.340 0.023 0.000 0.209 619 Q C 0.463 176.381 176.000 -0.137 0.000 0.884 619 Q CA -0.199 55.548 55.803 -0.094 0.000 0.938 619 Q CB 0.761 29.473 28.738 -0.042 0.000 1.098 619 Q HN 0.115 nan 8.270 nan 0.000 0.517 620 S N -0.088 115.488 115.700 -0.206 0.000 2.603 620 S HA 0.569 5.053 4.470 0.023 0.000 0.268 620 S C 0.307 174.748 174.600 -0.265 0.000 1.317 620 S CA -0.646 57.419 58.200 -0.226 0.000 1.012 620 S CB 1.269 64.308 63.200 -0.267 0.000 0.926 620 S HN 0.219 nan 8.310 nan 0.000 0.539 621 A N 1.313 124.010 122.820 -0.205 0.000 2.366 621 A HA 0.477 4.810 4.320 0.023 0.000 0.249 621 A C 0.069 177.510 177.584 -0.238 0.000 1.084 621 A CA -0.680 51.248 52.037 -0.182 0.000 0.794 621 A CB -0.157 18.772 19.000 -0.120 0.000 1.034 621 A HN 1.087 nan 8.150 nan 0.000 0.491 622 L N 1.657 122.758 121.223 -0.202 0.000 2.485 622 L HA 0.234 4.588 4.340 0.023 0.000 0.279 622 L C -0.387 176.382 176.870 -0.169 0.000 1.124 622 L CA 0.198 54.908 54.840 -0.218 0.000 0.888 622 L CB -0.076 41.892 42.059 -0.151 0.000 1.217 622 L HN 0.610 nan 8.230 nan 0.000 0.464 623 D N 3.941 124.221 120.400 -0.201 0.000 2.373 623 D HA 0.133 4.787 4.640 0.023 0.000 0.227 623 D C 0.913 177.135 176.300 -0.131 0.000 1.091 623 D CA -0.292 53.629 54.000 -0.132 0.000 0.840 623 D CB 1.615 42.343 40.800 -0.120 0.000 1.060 623 D HN 0.393 nan 8.370 nan 0.000 0.502 624 V N 4.067 123.897 119.914 -0.140 0.000 2.358 624 V HA -0.076 4.057 4.120 0.023 0.000 0.246 624 V C 2.435 178.426 176.094 -0.172 0.000 1.047 624 V CA 2.093 64.253 62.300 -0.233 0.000 1.035 624 V CB -0.513 31.034 31.823 -0.460 0.000 0.658 624 V HN 0.739 nan 8.190 nan 0.000 0.452 625 G N -0.636 108.105 108.800 -0.098 0.000 2.450 625 G HA2 -0.221 3.752 3.960 0.023 0.000 0.220 625 G HA3 -0.221 3.752 3.960 0.023 0.000 0.220 625 G C 1.609 176.505 174.900 -0.007 0.000 1.130 625 G CA 0.796 45.875 45.100 -0.035 0.000 0.760 625 G HN 0.416 nan 8.290 nan 0.000 0.557 626 L N 0.413 121.633 121.223 -0.004 0.000 2.027 626 L HA -0.094 4.259 4.340 0.023 0.000 0.206 626 L C 3.176 180.085 176.870 0.065 0.000 1.074 626 L CA 1.937 56.808 54.840 0.051 0.000 0.745 626 L CB -0.666 41.428 42.059 0.057 0.000 0.898 626 L HN 0.253 nan 8.230 nan 0.000 0.433 627 T N -0.377 114.193 114.554 0.025 0.000 2.746 627 T HA -0.197 4.166 4.350 0.023 0.000 0.267 627 T C 1.952 176.640 174.700 -0.020 0.000 1.039 627 T CA 1.176 63.292 62.100 0.028 0.000 1.142 627 T CB -0.107 68.733 68.868 -0.047 0.000 0.866 627 T HN 0.153 nan 8.240 nan 0.000 0.444 628 M N 1.401 120.976 119.600 -0.041 0.000 2.149 628 M HA -0.093 4.401 4.480 0.023 0.000 0.261 628 M C 2.301 178.603 176.300 0.003 0.000 1.064 628 M CA 1.468 56.758 55.300 -0.017 0.000 1.102 628 M CB -1.289 31.303 32.600 -0.014 0.000 1.369 628 M HN 0.348 nan 8.290 nan 0.000 0.408 629 Q N 0.009 119.812 119.800 0.005 0.000 2.170 629 Q HA -0.085 4.269 4.340 0.023 0.000 0.203 629 Q C 2.031 178.003 176.000 -0.047 0.000 0.976 629 Q CA 1.038 56.861 55.803 0.033 0.000 0.858 629 Q CB -0.188 28.587 28.738 0.062 0.000 0.907 629 Q HN 0.493 nan 8.270 nan 0.000 0.433 630 L N -0.077 121.020 121.223 -0.211 0.000 2.478 630 L HA -0.033 4.320 4.340 0.023 0.000 0.223 630 L C 1.449 178.217 176.870 -0.171 0.000 1.140 630 L CA 0.319 54.865 54.840 -0.490 0.000 0.842 630 L CB 0.124 41.931 42.059 -0.420 0.000 0.953 630 L HN 0.223 nan 8.230 nan 0.000 0.452 631 L N -0.402 120.805 121.223 -0.027 0.000 2.667 631 L HA 0.090 4.444 4.340 0.023 0.000 0.232 631 L C 0.711 177.636 176.870 0.092 0.000 1.138 631 L CA -0.395 54.478 54.840 0.055 0.000 0.921 631 L CB -0.197 41.901 42.059 0.064 0.000 1.180 631 L HN 0.299 nan 8.230 nan 0.000 0.487 632 D N -0.928 119.473 120.400 0.001 0.000 2.507 632 D HA -0.028 4.626 4.640 0.023 0.000 0.280 632 D C 1.422 177.369 176.300 -0.588 0.000 1.219 632 D CA -0.274 53.471 54.000 -0.425 0.000 1.085 632 D CB 0.451 41.049 40.800 -0.337 0.000 1.134 632 D HN 0.114 nan 8.370 nan 0.000 0.583 633 C N -1.522 117.172 119.300 -1.010 0.000 2.472 633 C HA 0.121 4.594 4.460 0.023 0.000 0.278 633 C C 1.558 176.340 174.990 -0.346 0.000 1.447 633 C CA 0.002 58.671 59.018 -0.583 0.000 1.773 633 C CB -1.954 25.498 27.740 -0.480 0.000 1.793 633 C HN 0.503 nan 8.230 nan 0.000 0.544 634 N N -0.473 117.995 118.700 -0.386 0.000 2.467 634 N HA 0.190 4.944 4.740 0.023 0.000 0.184 634 N C -0.667 174.272 175.510 -0.951 0.000 1.106 634 N CA 0.526 53.196 53.050 -0.634 0.000 0.892 634 N CB 0.003 38.030 38.487 -0.766 0.000 0.969 634 N HN 0.550 nan 8.380 nan 0.000 0.454 635 F N -0.860 118.989 119.950 -0.168 0.000 2.539 635 F HA 0.367 4.906 4.527 0.020 0.000 0.328 635 F C 0.321 175.947 175.800 -0.289 0.000 1.148 635 F CA -0.871 57.014 58.000 -0.191 0.000 0.940 635 F CB 1.988 40.924 39.000 -0.106 0.000 1.194 635 F HN -0.202 nan 8.300 nan 0.000 0.438 636 S N 0.228 115.691 115.700 -0.395 0.000 2.629 636 S HA 0.032 4.515 4.470 0.023 0.000 0.236 636 S C -0.276 174.078 174.600 -0.410 0.000 1.010 636 S CA -0.411 57.497 58.200 -0.488 0.000 0.981 636 S CB -0.151 62.528 63.200 -0.868 0.000 0.919 636 S HN 0.688 nan 8.310 nan 0.000 0.514 637 D N 1.866 122.057 120.400 -0.347 0.000 2.308 637 D HA 0.162 4.816 4.640 0.023 0.000 0.251 637 D C 1.082 177.335 176.300 -0.079 0.000 1.127 637 D CA -0.073 53.807 54.000 -0.201 0.000 0.876 637 D CB 0.776 41.367 40.800 -0.348 0.000 1.176 637 D HN 0.063 nan 8.370 nan 0.000 0.446 638 E N 2.461 122.656 120.200 -0.008 0.000 2.077 638 E HA -0.232 4.131 4.350 0.023 0.000 0.193 638 E C 1.004 177.559 176.600 -0.075 0.000 0.989 638 E CA 0.951 57.340 56.400 -0.019 0.000 0.800 638 E CB 0.200 29.902 29.700 0.003 0.000 0.746 638 E HN 0.505 nan 8.360 nan 0.000 0.452 639 N N 0.027 118.650 118.700 -0.127 0.000 2.250 639 N HA -0.106 4.648 4.740 0.023 0.000 0.181 639 N C 1.994 177.352 175.510 -0.253 0.000 1.017 639 N CA 0.754 53.667 53.050 -0.227 0.000 0.866 639 N CB -0.192 38.020 38.487 -0.458 0.000 0.985 639 N HN 0.034 nan 8.380 nan 0.000 0.429 640 V N 2.126 121.881 119.914 -0.266 0.000 2.231 640 V HA -0.260 3.874 4.120 0.023 0.000 0.248 640 V C 2.385 178.278 176.094 -0.336 0.000 1.054 640 V CA 1.722 63.751 62.300 -0.452 0.000 1.015 640 V CB -0.454 31.136 31.823 -0.388 0.000 0.638 640 V HN 0.281 nan 8.190 nan 0.000 0.444 641 R N -0.168 120.214 120.500 -0.197 0.000 2.120 641 R HA -0.108 4.246 4.340 0.023 0.000 0.234 641 R C 2.352 178.589 176.300 -0.105 0.000 1.123 641 R CA 1.354 57.376 56.100 -0.129 0.000 0.975 641 R CB -0.544 29.724 30.300 -0.054 0.000 0.866 641 R HN 0.568 nan 8.270 nan 0.000 0.446 642 A N 1.753 124.511 122.820 -0.104 0.000 1.969 642 A HA -0.113 4.220 4.320 0.023 0.000 0.218 642 A C 2.171 179.720 177.584 -0.058 0.000 1.169 642 A CA 1.203 53.200 52.037 -0.066 0.000 0.635 642 A CB -0.587 18.378 19.000 -0.058 0.000 0.810 642 A HN 0.486 nan 8.150 nan 0.000 0.445 643 I N -3.100 117.397 120.570 -0.121 0.000 2.614 643 I HA -0.025 4.158 4.170 0.023 0.000 0.258 643 I C 2.186 178.376 176.117 0.122 0.000 1.189 643 I CA 1.307 62.569 61.300 -0.064 0.000 1.462 643 I CB -0.297 37.457 38.000 -0.410 0.000 1.092 643 I HN 0.165 nan 8.210 nan 0.000 0.442 644 A N 1.527 124.348 122.820 0.002 0.000 1.872 644 A HA -0.004 4.329 4.320 0.023 0.000 0.214 644 A C 2.320 179.897 177.584 -0.012 0.000 1.187 644 A CA 1.623 53.707 52.037 0.078 0.000 0.614 644 A CB -0.992 17.993 19.000 -0.025 0.000 0.826 644 A HN 0.322 nan 8.150 nan 0.000 0.442 645 V N 0.547 120.416 119.914 -0.075 0.000 2.594 645 V HA -0.293 3.841 4.120 0.023 0.000 0.253 645 V C 2.616 178.604 176.094 -0.175 0.000 1.069 645 V CA 2.125 64.315 62.300 -0.184 0.000 1.082 645 V CB -0.875 30.881 31.823 -0.112 0.000 0.680 645 V HN 0.735 nan 8.190 nan 0.000 0.469 646 Q N 0.236 120.017 119.800 -0.032 0.000 2.050 646 Q HA -0.275 4.079 4.340 0.023 0.000 0.202 646 Q C 2.313 178.298 176.000 -0.026 0.000 0.980 646 Q CA 1.727 57.539 55.803 0.014 0.000 0.840 646 Q CB -0.004 28.805 28.738 0.119 0.000 0.898 646 Q HN 0.418 nan 8.270 nan 0.000 0.424 647 K N 0.549 120.945 120.400 -0.006 0.000 2.147 647 K HA -0.045 4.289 4.320 0.023 0.000 0.205 647 K C 1.960 178.475 176.600 -0.142 0.000 1.049 647 K CA 0.866 57.089 56.287 -0.106 0.000 0.936 647 K CB -0.272 32.135 32.500 -0.155 0.000 0.722 647 K HN 0.251 nan 8.250 nan 0.000 0.446 648 L N 0.673 121.765 121.223 -0.218 0.000 2.191 648 L HA -0.162 4.192 4.340 0.023 0.000 0.212 648 L C 1.951 178.714 176.870 -0.179 0.000 1.103 648 L CA 0.939 55.595 54.840 -0.307 0.000 0.769 648 L CB -0.393 41.232 42.059 -0.724 0.000 0.908 648 L HN 0.203 nan 8.230 nan 0.000 0.438 649 E N 0.234 120.354 120.200 -0.132 0.000 2.160 649 E HA -0.201 4.162 4.350 0.023 0.000 0.195 649 E C 2.242 178.923 176.600 0.135 0.000 0.991 649 E CA 1.658 58.124 56.400 0.110 0.000 0.810 649 E CB -0.139 29.613 29.700 0.087 0.000 0.742 649 E HN 0.564 nan 8.360 nan 0.000 0.466 650 S N -0.083 115.648 115.700 0.052 0.000 2.603 650 S HA 0.047 4.531 4.470 0.023 0.000 0.220 650 S C 1.083 175.729 174.600 0.077 0.000 0.967 650 S CA -0.176 58.054 58.200 0.049 0.000 0.920 650 S CB -0.239 62.959 63.200 -0.003 0.000 0.773 650 S HN 0.063 nan 8.310 nan 0.000 0.529 651 L N 2.946 124.240 121.223 0.118 0.000 2.455 651 L HA 0.181 4.534 4.340 0.023 0.000 0.272 651 L C 0.576 177.550 176.870 0.172 0.000 1.174 651 L CA -0.259 54.676 54.840 0.159 0.000 0.869 651 L CB 0.438 42.634 42.059 0.229 0.000 1.130 651 L HN 0.490 nan 8.230 nan 0.000 0.474 652 E N 1.598 121.888 120.200 0.149 0.000 2.313 652 E HA 0.109 4.473 4.350 0.023 0.000 0.272 652 E C -0.127 176.564 176.600 0.153 0.000 1.038 652 E CA -0.838 55.642 56.400 0.134 0.000 0.863 652 E CB 0.976 30.741 29.700 0.107 0.000 1.060 652 E HN 0.432 nan 8.360 nan 0.000 0.402 653 D N 1.844 122.321 120.400 0.129 0.000 2.170 653 D HA -0.273 4.381 4.640 0.023 0.000 0.193 653 D C 1.283 177.655 176.300 0.120 0.000 1.004 653 D CA 2.010 56.075 54.000 0.109 0.000 0.860 653 D CB -0.318 40.537 40.800 0.093 0.000 0.931 653 D HN 0.763 nan 8.370 nan 0.000 0.448 654 D N 0.413 120.917 120.400 0.173 0.000 2.116 654 D HA -0.166 4.488 4.640 0.023 0.000 0.193 654 D C 1.471 177.893 176.300 0.203 0.000 0.998 654 D CA 1.447 55.579 54.000 0.221 0.000 0.836 654 D CB -0.020 40.927 40.800 0.245 0.000 0.951 654 D HN 0.059 nan 8.370 nan 0.000 0.449 655 D N -0.601 119.962 120.400 0.272 0.000 2.149 655 D HA -0.085 4.568 4.640 0.023 0.000 0.201 655 D C 2.359 178.862 176.300 0.338 0.000 0.972 655 D CA 0.515 54.739 54.000 0.372 0.000 0.835 655 D CB -0.011 40.993 40.800 0.340 0.000 0.966 655 D HN 0.164 nan 8.370 nan 0.000 0.476 656 V N 1.644 121.717 119.914 0.265 0.000 2.252 656 V HA -0.256 3.878 4.120 0.023 0.000 0.249 656 V C 2.733 178.923 176.094 0.161 0.000 1.056 656 V CA 1.283 63.737 62.300 0.258 0.000 1.022 656 V CB -0.552 31.377 31.823 0.176 0.000 0.641 656 V HN 0.192 nan 8.190 nan 0.000 0.445 657 L N -0.977 120.264 121.223 0.030 0.000 2.187 657 L HA -0.255 4.099 4.340 0.023 0.000 0.213 657 L C 2.421 179.186 176.870 -0.176 0.000 1.100 657 L CA 1.697 56.468 54.840 -0.115 0.000 0.765 657 L CB -0.548 41.365 42.059 -0.242 0.000 0.904 657 L HN 0.463 nan 8.230 nan 0.000 0.437 658 H N -2.629 116.364 119.070 -0.129 0.000 2.428 658 H HA -0.123 4.447 4.556 0.023 0.000 0.296 658 H C 0.953 175.975 175.328 -0.511 0.000 1.062 658 H CA 1.551 57.369 56.048 -0.383 0.000 1.350 658 H CB 0.210 29.596 29.762 -0.625 0.000 1.403 658 H HN 0.335 nan 8.280 nan 0.000 0.533 659 Y N -1.315 119.081 120.300 0.161 0.000 2.481 659 Y HA 0.062 4.626 4.550 0.023 0.000 0.247 659 Y C 1.522 177.483 175.900 0.102 0.000 1.151 659 Y CA -0.436 57.731 58.100 0.112 0.000 1.238 659 Y CB 0.527 39.055 38.460 0.113 0.000 1.179 659 Y HN 0.100 nan 8.280 nan 0.000 0.524 660 L N 0.253 121.601 121.223 0.207 0.000 1.989 660 L HA -0.225 4.129 4.340 0.023 0.000 0.211 660 L C 2.237 179.221 176.870 0.190 0.000 1.071 660 L CA 1.656 56.634 54.840 0.230 0.000 0.749 660 L CB -0.848 41.365 42.059 0.256 0.000 0.890 660 L HN 0.307 nan 8.230 nan 0.000 0.431 661 L N -0.376 120.889 121.223 0.071 0.000 1.990 661 L HA -0.301 4.053 4.340 0.023 0.000 0.213 661 L C 2.468 179.245 176.870 -0.155 0.000 1.072 661 L CA 2.055 56.694 54.840 -0.335 0.000 0.755 661 L CB -0.880 40.829 42.059 -0.583 0.000 0.889 661 L HN 0.490 nan 8.230 nan 0.000 0.432 662 Q N -1.301 118.484 119.800 -0.025 0.000 2.311 662 Q HA -0.056 4.297 4.340 0.023 0.000 0.203 662 Q C 2.244 178.287 176.000 0.071 0.000 0.954 662 Q CA 0.926 56.745 55.803 0.027 0.000 0.885 662 Q CB -0.019 28.767 28.738 0.081 0.000 0.963 662 Q HN 0.537 nan 8.270 nan 0.000 0.471 663 L N -0.599 120.692 121.223 0.113 0.000 2.156 663 L HA -0.134 4.219 4.340 0.023 0.000 0.208 663 L C 2.115 179.032 176.870 0.078 0.000 1.095 663 L CA 0.561 55.481 54.840 0.133 0.000 0.770 663 L CB -0.169 42.016 42.059 0.211 0.000 0.914 663 L HN 0.092 nan 8.230 nan 0.000 0.439 664 V N -0.850 119.077 119.914 0.022 0.000 2.307 664 V HA -0.231 3.903 4.120 0.023 0.000 0.245 664 V C 2.478 178.513 176.094 -0.098 0.000 1.045 664 V CA 1.335 63.586 62.300 -0.081 0.000 1.024 664 V CB -0.486 31.260 31.823 -0.129 0.000 0.651 664 V HN 0.447 nan 8.190 nan 0.000 0.449 665 Q N 0.105 119.844 119.800 -0.101 0.000 2.226 665 Q HA -0.110 4.243 4.340 0.023 0.000 0.204 665 Q C 2.333 178.203 176.000 -0.217 0.000 0.975 665 Q CA 1.706 57.433 55.803 -0.127 0.000 0.866 665 Q CB -0.634 28.022 28.738 -0.137 0.000 0.915 665 Q HN 0.662 nan 8.270 nan 0.000 0.440 666 A N 0.258 123.032 122.820 -0.076 0.000 2.121 666 A HA -0.044 4.289 4.320 0.023 0.000 0.218 666 A C 2.311 179.870 177.584 -0.042 0.000 1.154 666 A CA 0.666 52.706 52.037 0.005 0.000 0.679 666 A CB -0.312 18.802 19.000 0.190 0.000 0.795 666 A HN 0.189 nan 8.150 nan 0.000 0.458 667 V N 0.354 120.257 119.914 -0.018 0.000 2.594 667 V HA -0.269 3.865 4.120 0.023 0.000 0.253 667 V C 2.243 178.216 176.094 -0.201 0.000 1.069 667 V CA 2.141 64.461 62.300 0.034 0.000 1.082 667 V CB -0.640 31.349 31.823 0.275 0.000 0.680 667 V HN 0.573 nan 8.190 nan 0.000 0.469 668 K N -0.443 119.623 120.400 -0.557 0.000 2.281 668 K HA -0.129 4.204 4.320 0.023 0.000 0.203 668 K C 1.607 177.850 176.600 -0.596 0.000 1.046 668 K CA 1.477 57.113 56.287 -1.086 0.000 0.938 668 K CB -0.241 31.409 32.500 -1.416 0.000 0.737 668 K HN 0.521 nan 8.250 nan 0.000 0.458 669 F N 1.036 120.900 119.950 -0.144 0.000 2.727 669 F HA 0.101 4.643 4.527 0.025 0.000 0.302 669 F C 0.631 176.396 175.800 -0.058 0.000 1.097 669 F CA -0.524 57.431 58.000 -0.076 0.000 1.330 669 F CB 0.392 39.363 39.000 -0.049 0.000 1.084 669 F HN -0.204 nan 8.300 nan 0.000 0.578 670 E N 1.780 122.027 120.200 0.077 0.000 2.316 670 E HA 0.063 4.426 4.350 0.023 0.000 0.275 670 E C -1.593 175.000 176.600 -0.010 0.000 1.029 670 E CA -1.655 54.779 56.400 0.057 0.000 0.871 670 E CB 0.873 30.619 29.700 0.076 0.000 1.022 670 E HN 0.066 nan 8.360 nan 0.000 0.418 671 P HA -0.103 nan 4.420 nan 0.000 0.217 671 P C -0.424 176.608 177.300 -0.448 0.000 1.150 671 P CA 1.362 64.303 63.100 -0.266 0.000 0.832 671 P CB 0.149 31.672 31.700 -0.296 0.000 0.787 672 Y N -2.614 117.609 120.300 -0.129 0.000 2.446 672 Y HA 0.257 4.820 4.550 0.022 0.000 0.345 672 Y C 1.892 177.717 175.900 -0.125 0.000 0.984 672 Y CA -0.809 57.174 58.100 -0.195 0.000 1.058 672 Y CB 0.858 39.251 38.460 -0.112 0.000 1.220 672 Y HN -0.095 nan 8.280 nan 0.000 0.455 673 H N -0.505 118.663 119.070 0.164 0.000 2.387 673 H HA -0.127 4.443 4.556 0.023 0.000 0.299 673 H C -0.030 175.372 175.328 0.124 0.000 1.099 673 H CA 1.349 57.461 56.048 0.107 0.000 1.315 673 H CB 0.105 29.905 29.762 0.062 0.000 1.380 673 H HN 0.532 nan 8.280 nan 0.000 0.513 674 D N 1.259 121.806 120.400 0.245 0.000 2.313 674 D HA 0.204 4.857 4.640 0.023 0.000 0.239 674 D C -0.363 176.025 176.300 0.147 0.000 1.142 674 D CA -0.136 53.971 54.000 0.179 0.000 0.847 674 D CB 0.720 41.622 40.800 0.169 0.000 1.082 674 D HN 0.276 nan 8.370 nan 0.000 0.480 675 S N 1.386 117.167 115.700 0.134 0.000 2.556 675 S HA 0.613 5.097 4.470 0.023 0.000 0.271 675 S C 1.070 175.736 174.600 0.110 0.000 1.135 675 S CA -0.325 57.942 58.200 0.112 0.000 0.858 675 S CB 1.417 64.689 63.200 0.121 0.000 1.114 675 S HN 0.291 nan 8.310 nan 0.000 0.468 676 A N 1.042 123.916 122.820 0.090 0.000 1.954 676 A HA -0.179 4.155 4.320 0.023 0.000 0.222 676 A C 1.962 179.632 177.584 0.144 0.000 1.199 676 A CA 2.320 54.416 52.037 0.097 0.000 0.657 676 A CB -1.035 17.997 19.000 0.054 0.000 0.823 676 A HN 1.127 nan 8.150 nan 0.000 0.463 677 L N -0.948 120.356 121.223 0.134 0.000 2.095 677 L HA 0.146 4.499 4.340 0.023 0.000 0.204 677 L C 2.703 179.703 176.870 0.217 0.000 1.080 677 L CA 2.062 57.011 54.840 0.181 0.000 0.759 677 L CB -0.863 41.277 42.059 0.135 0.000 0.914 677 L HN 0.332 nan 8.230 nan 0.000 0.439 678 A N -0.262 122.659 122.820 0.169 0.000 1.940 678 A HA -0.220 4.114 4.320 0.023 0.000 0.219 678 A C 2.401 180.070 177.584 0.141 0.000 1.176 678 A CA 1.872 54.000 52.037 0.153 0.000 0.631 678 A CB -0.530 18.562 19.000 0.154 0.000 0.814 678 A HN 0.525 nan 8.150 nan 0.000 0.446 679 R N -2.300 118.293 120.500 0.155 0.000 2.119 679 R HA 0.032 4.386 4.340 0.023 0.000 0.222 679 R C 1.945 178.344 176.300 0.164 0.000 1.088 679 R CA 1.085 57.267 56.100 0.137 0.000 0.984 679 R CB -0.385 29.991 30.300 0.127 0.000 0.884 679 R HN 0.591 nan 8.270 nan 0.000 0.447 680 F N 1.891 121.878 119.950 0.061 0.000 2.134 680 F HA -0.139 4.402 4.527 0.024 0.000 0.299 680 F C 1.790 177.627 175.800 0.061 0.000 1.097 680 F CA 1.358 59.394 58.000 0.060 0.000 1.264 680 F CB -0.253 38.783 39.000 0.059 0.000 1.001 680 F HN -0.134 nan 8.300 nan 0.000 0.479 681 L N -0.306 120.928 121.223 0.018 0.000 2.012 681 L HA -0.261 4.093 4.340 0.023 0.000 0.210 681 L C 2.609 179.402 176.870 -0.128 0.000 1.073 681 L CA 1.250 56.020 54.840 -0.115 0.000 0.748 681 L CB -0.952 41.111 42.059 0.007 0.000 0.891 681 L HN 0.237 nan 8.230 nan 0.000 0.431 682 L N -0.344 120.864 121.223 -0.024 0.000 1.951 682 L HA -0.327 4.026 4.340 0.023 0.000 0.222 682 L C 2.837 179.713 176.870 0.012 0.000 1.078 682 L CA 1.608 56.469 54.840 0.036 0.000 0.778 682 L CB -0.529 41.571 42.059 0.069 0.000 0.893 682 L HN 0.255 nan 8.230 nan 0.000 0.436 683 K N -0.616 119.771 120.400 -0.023 0.000 2.023 683 K HA -0.287 4.047 4.320 0.023 0.000 0.227 683 K C 2.147 178.699 176.600 -0.080 0.000 1.054 683 K CA 1.910 58.174 56.287 -0.039 0.000 0.977 683 K CB -0.322 32.154 32.500 -0.039 0.000 0.733 683 K HN 0.229 nan 8.250 nan 0.000 0.451 684 R N -0.506 119.848 120.500 -0.244 0.000 2.091 684 R HA -0.096 4.257 4.340 0.023 0.000 0.238 684 R C 2.413 178.664 176.300 -0.080 0.000 1.136 684 R CA 1.519 57.479 56.100 -0.233 0.000 0.959 684 R CB -1.318 28.685 30.300 -0.496 0.000 0.856 684 R HN 0.500 nan 8.270 nan 0.000 0.437 685 G N 0.591 109.348 108.800 -0.071 0.000 2.408 685 G HA2 -0.173 3.801 3.960 0.023 0.000 0.217 685 G HA3 -0.173 3.801 3.960 0.023 0.000 0.217 685 G C 1.534 176.596 174.900 0.270 0.000 1.150 685 G CA 0.213 45.312 45.100 -0.001 0.000 0.776 685 G HN 0.232 nan 8.290 nan 0.000 0.542 686 L N -0.377 121.006 121.223 0.267 0.000 2.395 686 L HA 0.171 4.525 4.340 0.023 0.000 0.218 686 L C 2.746 179.725 176.870 0.181 0.000 1.130 686 L CA 0.225 55.225 54.840 0.267 0.000 0.826 686 L CB -0.103 42.026 42.059 0.116 0.000 0.941 686 L HN 0.167 nan 8.230 nan 0.000 0.451 687 R N 0.186 120.774 120.500 0.146 0.000 2.240 687 R HA -0.014 4.339 4.340 0.023 0.000 0.203 687 R C 0.254 176.723 176.300 0.282 0.000 1.011 687 R CA 0.376 56.557 56.100 0.134 0.000 1.007 687 R CB 0.350 30.691 30.300 0.068 0.000 0.911 687 R HN 0.210 nan 8.270 nan 0.000 0.468 688 N N 0.221 119.096 118.700 0.291 0.000 2.425 688 N HA 0.071 4.824 4.740 0.023 0.000 0.289 688 N C -0.447 175.144 175.510 0.135 0.000 1.074 688 N CA -0.330 52.844 53.050 0.207 0.000 0.905 688 N CB 1.796 40.352 38.487 0.115 0.000 1.586 688 N HN -0.150 nan 8.380 nan 0.000 0.490 689 K N 1.782 122.152 120.400 -0.051 0.000 2.097 689 K HA -0.097 4.236 4.320 0.023 0.000 0.206 689 K C 1.604 178.127 176.600 -0.128 0.000 1.049 689 K CA 0.955 57.134 56.287 -0.181 0.000 0.933 689 K CB 0.302 32.462 32.500 -0.567 0.000 0.717 689 K HN 0.487 nan 8.250 nan 0.000 0.442 690 R N 1.198 121.619 120.500 -0.132 0.000 2.075 690 R HA -0.054 4.300 4.340 0.023 0.000 0.232 690 R C 2.178 178.513 176.300 0.058 0.000 1.126 690 R CA 1.088 57.125 56.100 -0.105 0.000 0.963 690 R CB -0.091 30.076 30.300 -0.221 0.000 0.858 690 R HN 0.123 nan 8.270 nan 0.000 0.435 691 I N -0.155 120.428 120.570 0.021 0.000 2.353 691 I HA -0.104 4.079 4.170 0.023 0.000 0.248 691 I C 2.416 178.527 176.117 -0.009 0.000 1.119 691 I CA 1.121 62.437 61.300 0.027 0.000 1.417 691 I CB -0.542 37.449 38.000 -0.015 0.000 1.078 691 I HN 0.384 nan 8.210 nan 0.000 0.421 692 G N 0.249 109.062 108.800 0.021 0.000 2.446 692 G HA2 -0.367 3.607 3.960 0.023 0.000 0.217 692 G HA3 -0.367 3.607 3.960 0.023 0.000 0.217 692 G C 1.492 176.374 174.900 -0.030 0.000 1.168 692 G CA 1.466 46.535 45.100 -0.051 0.000 0.771 692 G HN 0.459 nan 8.290 nan 0.000 0.551 693 H N -0.383 118.719 119.070 0.054 0.000 2.319 693 H HA -0.040 4.530 4.556 0.023 0.000 0.299 693 H C 2.194 177.468 175.328 -0.089 0.000 1.092 693 H CA 1.867 57.968 56.048 0.088 0.000 1.302 693 H CB -0.271 29.375 29.762 -0.193 0.000 1.373 693 H HN 0.373 nan 8.280 nan 0.000 0.497 694 F N -0.774 119.167 119.950 -0.015 0.000 2.325 694 F HA -0.061 4.480 4.527 0.023 0.000 0.299 694 F C 2.208 177.616 175.800 -0.654 0.000 1.090 694 F CA 0.300 58.030 58.000 -0.449 0.000 1.392 694 F CB -0.140 38.489 39.000 -0.618 0.000 1.053 694 F HN 0.223 nan 8.300 nan 0.000 0.521 695 L N -0.145 120.920 121.223 -0.263 0.000 1.989 695 L HA -0.245 4.109 4.340 0.023 0.000 0.211 695 L C 2.242 178.910 176.870 -0.337 0.000 1.071 695 L CA 1.716 56.370 54.840 -0.309 0.000 0.749 695 L CB -1.264 40.505 42.059 -0.484 0.000 0.890 695 L HN 0.185 nan 8.230 nan 0.000 0.431 696 F N -0.652 118.929 119.950 -0.615 0.000 2.015 696 F HA -0.350 4.191 4.527 0.023 0.000 0.297 696 F C 2.054 177.490 175.800 -0.606 0.000 1.141 696 F CA 2.474 60.025 58.000 -0.750 0.000 1.192 696 F CB -0.848 37.411 39.000 -1.235 0.000 0.957 696 F HN 0.157 nan 8.300 nan 0.000 0.491 697 W N -0.376 120.827 121.300 -0.161 0.000 2.392 697 W HA -0.150 4.523 4.660 0.022 0.000 0.279 697 W C 2.467 179.012 176.519 0.044 0.000 1.225 697 W CA 1.187 58.475 57.345 -0.094 0.000 1.233 697 W CB -0.785 28.660 29.460 -0.025 0.000 1.122 697 W HN 0.082 nan 8.180 nan 0.000 0.561 698 F N -0.428 119.561 119.950 0.065 0.000 2.098 698 F HA -0.179 4.362 4.527 0.023 0.000 0.294 698 F C 2.230 177.900 175.800 -0.217 0.000 1.107 698 F CA 0.535 58.517 58.000 -0.030 0.000 1.234 698 F CB -0.817 38.159 39.000 -0.041 0.000 1.002 698 F HN -0.234 nan 8.300 nan 0.000 0.472 699 L N 0.009 121.130 121.223 -0.171 0.000 2.017 699 L HA -0.240 4.113 4.340 0.023 0.000 0.208 699 L C 2.583 179.292 176.870 -0.269 0.000 1.073 699 L CA 1.324 55.930 54.840 -0.391 0.000 0.745 699 L CB -0.651 41.156 42.059 -0.420 0.000 0.894 699 L HN 0.089 nan 8.230 nan 0.000 0.432 700 R N -0.428 119.847 120.500 -0.376 0.000 2.096 700 R HA -0.182 4.172 4.340 0.023 0.000 0.235 700 R C 2.594 178.843 176.300 -0.084 0.000 1.127 700 R CA 1.495 57.380 56.100 -0.360 0.000 0.968 700 R CB -0.206 29.656 30.300 -0.730 0.000 0.861 700 R HN 0.208 nan 8.270 nan 0.000 0.440 701 S N 0.275 115.996 115.700 0.036 0.000 2.380 701 S HA -0.168 4.316 4.470 0.023 0.000 0.229 701 S C 1.519 176.174 174.600 0.092 0.000 1.043 701 S CA 1.545 59.817 58.200 0.121 0.000 1.038 701 S CB -0.058 63.242 63.200 0.166 0.000 0.872 701 S HN 0.380 nan 8.310 nan 0.000 0.456 702 E N 0.273 120.526 120.200 0.089 0.000 2.276 702 E HA 0.142 4.506 4.350 0.023 0.000 0.193 702 E C 2.091 178.778 176.600 0.146 0.000 0.983 702 E CA 0.362 56.859 56.400 0.162 0.000 0.861 702 E CB -0.259 29.651 29.700 0.351 0.000 0.817 702 E HN 0.580 nan 8.360 nan 0.000 0.485 703 I N 1.359 121.989 120.570 0.101 0.000 2.226 703 I HA -0.210 3.974 4.170 0.023 0.000 0.245 703 I C 2.237 178.373 176.117 0.032 0.000 1.100 703 I CA 1.134 62.451 61.300 0.029 0.000 1.374 703 I CB -0.235 37.748 38.000 -0.030 0.000 1.057 703 I HN -0.039 nan 8.210 nan 0.000 0.413 704 A N -0.727 122.123 122.820 0.050 0.000 2.235 704 A HA -0.135 4.199 4.320 0.023 0.000 0.208 704 A C 2.084 179.720 177.584 0.087 0.000 1.172 704 A CA 1.172 53.254 52.037 0.075 0.000 0.786 704 A CB -0.194 18.856 19.000 0.085 0.000 0.804 704 A HN 0.553 nan 8.150 nan 0.000 0.479 705 Q N -1.376 118.474 119.800 0.083 0.000 2.237 705 Q HA 0.106 4.459 4.340 0.023 0.000 0.254 705 Q C -0.008 176.041 176.000 0.080 0.000 0.771 705 Q CA 0.622 56.477 55.803 0.086 0.000 0.958 705 Q CB 0.862 29.652 28.738 0.087 0.000 1.202 705 Q HN 0.532 nan 8.270 nan 0.000 0.492 706 S N -0.383 115.362 115.700 0.074 0.000 2.519 706 S HA 0.470 4.953 4.470 0.023 0.000 0.309 706 S C 0.314 174.940 174.600 0.043 0.000 1.100 706 S CA -0.874 57.371 58.200 0.074 0.000 1.059 706 S CB 1.659 64.902 63.200 0.072 0.000 1.008 706 S HN 0.223 nan 8.310 nan 0.000 0.478 707 R N 1.510 122.043 120.500 0.056 0.000 2.148 707 R HA -0.033 4.321 4.340 0.023 0.000 0.223 707 R C 0.993 177.226 176.300 -0.111 0.000 1.088 707 R CA 1.270 57.402 56.100 0.052 0.000 0.985 707 R CB -0.682 29.773 30.300 0.260 0.000 0.880 707 R HN 0.803 nan 8.270 nan 0.000 0.451 708 H N -1.234 117.532 119.070 -0.506 0.000 2.456 708 H HA -0.083 4.487 4.556 0.023 0.000 0.296 708 H C 0.656 175.488 175.328 -0.827 0.000 1.079 708 H CA 1.423 56.947 56.048 -0.874 0.000 1.322 708 H CB 0.020 29.129 29.762 -1.088 0.000 1.388 708 H HN 0.279 nan 8.280 nan 0.000 0.538 709 Y N -0.733 119.447 120.300 -0.201 0.000 2.540 709 Y HA -0.003 4.561 4.550 0.022 0.000 0.257 709 Y C 2.155 177.799 175.900 -0.428 0.000 1.090 709 Y CA -0.217 57.640 58.100 -0.405 0.000 1.242 709 Y CB 0.419 38.470 38.460 -0.682 0.000 1.325 709 Y HN 0.120 nan 8.280 nan 0.000 0.544 710 Q N 1.266 120.958 119.800 -0.180 0.000 2.197 710 Q HA -0.333 4.020 4.340 0.023 0.000 0.211 710 Q C 1.026 176.753 176.000 -0.455 0.000 0.993 710 Q CA 2.537 58.175 55.803 -0.276 0.000 0.883 710 Q CB -0.345 28.198 28.738 -0.325 0.000 0.916 710 Q HN 0.592 nan 8.270 nan 0.000 0.418 711 Q N 0.436 119.963 119.800 -0.456 0.000 2.016 711 Q HA -0.141 4.212 4.340 0.023 0.000 0.200 711 Q C 2.330 178.163 176.000 -0.278 0.000 0.978 711 Q CA 1.594 57.148 55.803 -0.415 0.000 0.833 711 Q CB -0.240 28.343 28.738 -0.259 0.000 0.895 711 Q HN 0.426 nan 8.270 nan 0.000 0.427 712 R N 0.571 120.914 120.500 -0.262 0.000 2.097 712 R HA -0.163 4.190 4.340 0.023 0.000 0.236 712 R C 2.109 178.429 176.300 0.033 0.000 1.135 712 R CA 1.676 57.675 56.100 -0.169 0.000 0.934 712 R CB -0.356 29.922 30.300 -0.038 0.000 0.846 712 R HN 0.251 nan 8.270 nan 0.000 0.431 713 F N 0.309 120.217 119.950 -0.071 0.000 2.134 713 F HA -0.172 4.368 4.527 0.022 0.000 0.299 713 F C 2.601 178.334 175.800 -0.110 0.000 1.097 713 F CA 0.272 58.222 58.000 -0.083 0.000 1.264 713 F CB -0.217 38.727 39.000 -0.092 0.000 1.001 713 F HN 0.298 nan 8.300 nan 0.000 0.479 714 A N -0.229 122.620 122.820 0.049 0.000 2.019 714 A HA -0.122 4.212 4.320 0.023 0.000 0.219 714 A C 2.149 179.740 177.584 0.012 0.000 1.164 714 A CA 1.438 53.469 52.037 -0.009 0.000 0.644 714 A CB -0.961 18.014 19.000 -0.043 0.000 0.805 714 A HN 0.218 nan 8.150 nan 0.000 0.449 715 V N -0.248 119.671 119.914 0.008 0.000 2.591 715 V HA -0.176 3.957 4.120 0.023 0.000 0.249 715 V C 2.304 178.420 176.094 0.037 0.000 1.053 715 V CA 1.690 63.998 62.300 0.013 0.000 1.068 715 V CB -0.518 31.295 31.823 -0.016 0.000 0.689 715 V HN 0.576 nan 8.190 nan 0.000 0.462 716 I N -0.684 119.923 120.570 0.061 0.000 2.233 716 I HA -0.193 3.991 4.170 0.023 0.000 0.243 716 I C 2.365 178.507 176.117 0.042 0.000 1.093 716 I CA 1.251 62.590 61.300 0.065 0.000 1.380 716 I CB -0.266 37.784 38.000 0.083 0.000 1.067 716 I HN 0.238 nan 8.210 nan 0.000 0.413 717 L N 0.892 122.113 121.223 -0.003 0.000 1.989 717 L HA -0.272 4.082 4.340 0.023 0.000 0.211 717 L C 2.647 179.531 176.870 0.023 0.000 1.071 717 L CA 1.914 56.731 54.840 -0.039 0.000 0.749 717 L CB -0.475 41.490 42.059 -0.155 0.000 0.890 717 L HN 0.390 nan 8.230 nan 0.000 0.431 718 E N -0.017 120.183 120.200 0.001 0.000 2.048 718 E HA -0.320 4.044 4.350 0.023 0.000 0.202 718 E C 2.020 178.633 176.600 0.022 0.000 1.021 718 E CA 1.763 58.159 56.400 -0.006 0.000 0.825 718 E CB -0.131 29.563 29.700 -0.011 0.000 0.756 718 E HN 0.579 nan 8.360 nan 0.000 0.454 719 A N 0.453 123.299 122.820 0.044 0.000 1.927 719 A HA -0.262 4.072 4.320 0.023 0.000 0.220 719 A C 2.120 179.754 177.584 0.083 0.000 1.185 719 A CA 1.999 54.071 52.037 0.058 0.000 0.639 719 A CB -1.194 17.845 19.000 0.066 0.000 0.820 719 A HN 0.648 nan 8.150 nan 0.000 0.451 720 Y N 0.449 120.746 120.300 -0.005 0.000 2.089 720 Y HA -0.171 4.393 4.550 0.023 0.000 0.282 720 Y C 1.994 177.915 175.900 0.035 0.000 1.139 720 Y CA 1.988 60.092 58.100 0.007 0.000 1.123 720 Y CB -0.542 37.908 38.460 -0.018 0.000 0.980 720 Y HN 0.213 nan 8.280 nan 0.000 0.493 721 L N 0.052 121.230 121.223 -0.075 0.000 2.187 721 L HA -0.232 4.122 4.340 0.023 0.000 0.213 721 L C 2.290 179.115 176.870 -0.076 0.000 1.100 721 L CA 1.422 56.186 54.840 -0.128 0.000 0.765 721 L CB -0.499 41.551 42.059 -0.014 0.000 0.904 721 L HN 0.138 nan 8.230 nan 0.000 0.437 722 R N -0.401 120.083 120.500 -0.027 0.000 2.323 722 R HA 0.005 4.359 4.340 0.023 0.000 0.198 722 R C 1.732 178.031 176.300 -0.002 0.000 0.988 722 R CA 0.610 56.751 56.100 0.068 0.000 1.041 722 R CB 0.015 30.363 30.300 0.081 0.000 0.926 722 R HN 0.411 nan 8.270 nan 0.000 0.476 723 G N -0.711 108.019 108.800 -0.117 0.000 2.649 723 G HA2 -0.122 3.852 3.960 0.023 0.000 0.199 723 G HA3 -0.122 3.852 3.960 0.023 0.000 0.199 723 G C 1.366 176.156 174.900 -0.183 0.000 1.085 723 G CA 0.100 45.119 45.100 -0.134 0.000 0.804 723 G HN 0.437 nan 8.290 nan 0.000 0.671 724 C N 0.147 119.246 119.300 -0.334 0.000 2.419 724 C HA 0.497 4.971 4.460 0.023 0.000 0.281 724 C C 1.584 176.588 174.990 0.024 0.000 1.336 724 C CA 0.037 58.910 59.018 -0.242 0.000 1.770 724 C CB -1.271 26.167 27.740 -0.504 0.000 1.929 724 C HN 1.464 nan 8.230 nan 0.000 0.509 725 G N -0.237 108.560 108.800 -0.006 0.000 2.629 725 G HA2 0.114 4.087 3.960 0.023 0.000 0.686 725 G HA3 0.114 4.087 3.960 0.023 0.000 0.686 725 G C 0.357 175.278 174.900 0.034 0.000 1.232 725 G CA 0.270 45.390 45.100 0.033 0.000 0.803 725 G HN 1.106 nan 8.290 nan 0.000 0.638 726 T N -1.241 113.324 114.554 0.019 0.000 2.665 726 T HA -0.017 4.346 4.350 0.023 0.000 0.268 726 T C 2.718 177.429 174.700 0.018 0.000 1.035 726 T CA 3.207 65.319 62.100 0.020 0.000 1.151 726 T CB -0.648 68.214 68.868 -0.010 0.000 0.862 726 T HN 2.222 nan 8.240 nan 0.000 0.438 727 A N 2.078 124.882 122.820 -0.026 0.000 1.873 727 A HA -0.028 4.306 4.320 0.023 0.000 0.218 727 A C 2.662 180.214 177.584 -0.054 0.000 1.193 727 A CA 2.164 54.152 52.037 -0.082 0.000 0.629 727 A CB -0.871 18.064 19.000 -0.109 0.000 0.826 727 A HN 0.578 nan 8.150 nan 0.000 0.447 728 M N -0.881 118.672 119.600 -0.077 0.000 2.132 728 M HA -0.096 4.397 4.480 0.023 0.000 0.263 728 M C 2.227 178.430 176.300 -0.162 0.000 1.065 728 M CA 1.256 56.434 55.300 -0.203 0.000 1.122 728 M CB -0.722 31.801 32.600 -0.128 0.000 1.365 728 M HN 0.392 nan 8.290 nan 0.000 0.411 729 L N -0.738 120.522 121.223 0.061 0.000 2.013 729 L HA -0.285 4.069 4.340 0.023 0.000 0.212 729 L C 2.593 179.522 176.870 0.099 0.000 1.073 729 L CA 2.009 56.938 54.840 0.149 0.000 0.753 729 L CB -1.149 41.006 42.059 0.160 0.000 0.890 729 L HN 0.406 nan 8.230 nan 0.000 0.432 730 H N -0.074 118.980 119.070 -0.027 0.000 2.353 730 H HA -0.208 4.361 4.556 0.023 0.000 0.298 730 H C 1.804 177.087 175.328 -0.075 0.000 1.103 730 H CA 2.178 58.205 56.048 -0.035 0.000 1.293 730 H CB 0.013 29.752 29.762 -0.038 0.000 1.372 730 H HN 0.363 nan 8.280 nan 0.000 0.501 731 D N 0.103 120.478 120.400 -0.042 0.000 2.103 731 D HA -0.143 4.510 4.640 0.023 0.000 0.199 731 D C 2.185 178.346 176.300 -0.231 0.000 0.978 731 D CA 1.188 55.081 54.000 -0.179 0.000 0.829 731 D CB -0.589 40.051 40.800 -0.267 0.000 0.981 731 D HN 0.448 nan 8.370 nan 0.000 0.464 732 F N 1.876 121.693 119.950 -0.220 0.000 2.091 732 F HA -0.218 4.323 4.527 0.023 0.000 0.299 732 F C 2.814 178.498 175.800 -0.192 0.000 1.103 732 F CA 1.113 58.870 58.000 -0.406 0.000 1.228 732 F CB -0.815 37.671 39.000 -0.857 0.000 0.984 732 F HN -0.094 nan 8.300 nan 0.000 0.477 733 T N 0.078 114.651 114.554 0.032 0.000 2.624 733 T HA -0.324 4.039 4.350 0.023 0.000 0.268 733 T C 1.811 176.499 174.700 -0.021 0.000 1.041 733 T CA 2.020 64.123 62.100 0.005 0.000 1.159 733 T CB -0.646 68.208 68.868 -0.023 0.000 0.863 733 T HN 0.506 nan 8.240 nan 0.000 0.434 734 Q N 0.759 120.501 119.800 -0.095 0.000 2.311 734 Q HA 0.012 4.365 4.340 0.023 0.000 0.203 734 Q C 2.138 178.147 176.000 0.016 0.000 0.954 734 Q CA 0.789 56.551 55.803 -0.068 0.000 0.885 734 Q CB -0.307 28.352 28.738 -0.132 0.000 0.963 734 Q HN 0.537 nan 8.270 nan 0.000 0.471 735 Q N 0.760 120.619 119.800 0.100 0.000 2.046 735 Q HA -0.100 4.253 4.340 0.023 0.000 0.200 735 Q C 2.260 178.425 176.000 0.275 0.000 0.975 735 Q CA 1.716 57.666 55.803 0.245 0.000 0.836 735 Q CB -0.016 28.996 28.738 0.456 0.000 0.896 735 Q HN 0.240 nan 8.270 nan 0.000 0.428 736 V N 0.986 121.057 119.914 0.262 0.000 2.295 736 V HA -0.309 3.825 4.120 0.023 0.000 0.246 736 V C 2.162 178.337 176.094 0.134 0.000 1.049 736 V CA 1.946 64.396 62.300 0.251 0.000 1.024 736 V CB -0.506 31.425 31.823 0.179 0.000 0.648 736 V HN 0.382 nan 8.190 nan 0.000 0.447 737 Q N -0.786 119.048 119.800 0.057 0.000 2.135 737 Q HA -0.178 4.176 4.340 0.023 0.000 0.204 737 Q C 2.275 178.249 176.000 -0.042 0.000 0.981 737 Q CA 1.835 57.641 55.803 0.005 0.000 0.856 737 Q CB -0.204 28.524 28.738 -0.016 0.000 0.902 737 Q HN 0.562 nan 8.270 nan 0.000 0.425 738 V N 1.579 121.429 119.914 -0.107 0.000 2.307 738 V HA -0.230 3.903 4.120 0.023 0.000 0.245 738 V C 2.187 178.190 176.094 -0.151 0.000 1.045 738 V CA 1.630 63.782 62.300 -0.247 0.000 1.024 738 V CB -0.674 30.756 31.823 -0.655 0.000 0.651 738 V HN 0.541 nan 8.190 nan 0.000 0.449 739 I N -0.290 120.279 120.570 -0.002 0.000 2.406 739 I HA -0.134 4.049 4.170 0.023 0.000 0.249 739 I C 2.176 178.330 176.117 0.062 0.000 1.122 739 I CA 1.713 63.084 61.300 0.119 0.000 1.431 739 I CB -0.956 37.254 38.000 0.350 0.000 1.087 739 I HN 0.385 nan 8.210 nan 0.000 0.424 740 E N 1.073 121.316 120.200 0.072 0.000 2.085 740 E HA -0.230 4.134 4.350 0.023 0.000 0.194 740 E C 2.344 178.930 176.600 -0.024 0.000 0.994 740 E CA 1.957 58.382 56.400 0.042 0.000 0.801 740 E CB -0.192 29.537 29.700 0.049 0.000 0.743 740 E HN 0.530 nan 8.360 nan 0.000 0.453 741 M N 0.190 119.757 119.600 -0.055 0.000 2.065 741 M HA -0.211 4.282 4.480 0.023 0.000 0.259 741 M C 2.306 178.518 176.300 -0.146 0.000 1.069 741 M CA 1.524 56.774 55.300 -0.084 0.000 1.110 741 M CB -0.283 32.265 32.600 -0.086 0.000 1.328 741 M HN 0.141 nan 8.290 nan 0.000 0.405 742 L N -0.605 120.461 121.223 -0.262 0.000 2.217 742 L HA -0.179 4.175 4.340 0.023 0.000 0.211 742 L C 2.531 179.099 176.870 -0.504 0.000 1.107 742 L CA 0.939 55.495 54.840 -0.473 0.000 0.783 742 L CB -0.540 41.022 42.059 -0.829 0.000 0.919 742 L HN 0.398 nan 8.230 nan 0.000 0.442 743 Q N 0.104 119.700 119.800 -0.339 0.000 2.079 743 Q HA -0.223 4.131 4.340 0.023 0.000 0.200 743 Q C 2.141 178.101 176.000 -0.067 0.000 0.974 743 Q CA 1.309 57.045 55.803 -0.112 0.000 0.840 743 Q CB -0.069 28.698 28.738 0.048 0.000 0.898 743 Q HN 0.415 nan 8.270 nan 0.000 0.430 744 K N 0.122 120.482 120.400 -0.067 0.000 2.052 744 K HA -0.216 4.118 4.320 0.023 0.000 0.215 744 K C 2.084 178.655 176.600 -0.048 0.000 1.053 744 K CA 1.943 58.202 56.287 -0.047 0.000 0.934 744 K CB -0.299 32.175 32.500 -0.045 0.000 0.717 744 K HN 0.041 nan 8.250 nan 0.000 0.450 745 V N 0.979 120.851 119.914 -0.071 0.000 2.343 745 V HA -0.248 3.885 4.120 0.023 0.000 0.247 745 V C 2.165 178.243 176.094 -0.027 0.000 1.051 745 V CA 2.215 64.483 62.300 -0.052 0.000 1.036 745 V CB -0.770 31.010 31.823 -0.072 0.000 0.654 745 V HN 0.435 nan 8.190 nan 0.000 0.451 746 T N 0.891 115.424 114.554 -0.034 0.000 2.652 746 T HA -0.172 4.192 4.350 0.023 0.000 0.267 746 T C 1.907 176.633 174.700 0.044 0.000 1.039 746 T CA 1.806 63.929 62.100 0.038 0.000 1.153 746 T CB -0.382 68.543 68.868 0.095 0.000 0.863 746 T HN 0.314 nan 8.240 nan 0.000 0.428 747 L N 1.007 122.231 121.223 0.002 0.000 2.017 747 L HA -0.127 4.227 4.340 0.023 0.000 0.208 747 L C 2.584 179.443 176.870 -0.018 0.000 1.073 747 L CA 1.279 56.095 54.840 -0.040 0.000 0.745 747 L CB -0.687 41.316 42.059 -0.093 0.000 0.894 747 L HN 0.157 nan 8.230 nan 0.000 0.432 748 D N 0.229 120.621 120.400 -0.012 0.000 2.097 748 D HA -0.183 4.470 4.640 0.023 0.000 0.195 748 D C 2.205 178.513 176.300 0.013 0.000 0.989 748 D CA 1.331 55.329 54.000 -0.003 0.000 0.827 748 D CB -0.226 40.570 40.800 -0.006 0.000 0.966 748 D HN 0.189 nan 8.370 nan 0.000 0.456 749 I N 1.130 121.713 120.570 0.022 0.000 2.264 749 I HA -0.236 3.948 4.170 0.023 0.000 0.248 749 I C 2.305 178.453 176.117 0.051 0.000 1.111 749 I CA 1.230 62.553 61.300 0.038 0.000 1.382 749 I CB -0.163 37.867 38.000 0.050 0.000 1.060 749 I HN -0.074 nan 8.210 nan 0.000 0.418 750 K N -0.259 120.176 120.400 0.058 0.000 2.148 750 K HA -0.126 4.208 4.320 0.023 0.000 0.204 750 K C 2.283 178.917 176.600 0.057 0.000 1.050 750 K CA 1.354 57.687 56.287 0.076 0.000 0.942 750 K CB -0.029 32.533 32.500 0.104 0.000 0.724 750 K HN 0.201 nan 8.250 nan 0.000 0.446 751 S N 0.972 116.693 115.700 0.035 0.000 2.402 751 S HA -0.037 4.446 4.470 0.023 0.000 0.229 751 S C 1.594 176.209 174.600 0.025 0.000 1.021 751 S CA 0.780 58.995 58.200 0.025 0.000 0.974 751 S CB -0.015 63.191 63.200 0.011 0.000 0.800 751 S HN 0.250 nan 8.310 nan 0.000 0.484 752 L N 0.900 122.140 121.223 0.028 0.000 2.552 752 L HA 0.116 4.469 4.340 0.023 0.000 0.227 752 L C 0.154 177.042 176.870 0.030 0.000 1.146 752 L CA 0.290 55.145 54.840 0.025 0.000 0.858 752 L CB 0.061 42.134 42.059 0.024 0.000 0.969 752 L HN 0.087 nan 8.230 nan 0.000 0.451 753 S N -0.723 114.999 115.700 0.037 0.000 2.503 753 S HA 0.703 5.187 4.470 0.023 0.000 0.301 753 S C 0.206 174.824 174.600 0.029 0.000 1.087 753 S CA -0.775 57.449 58.200 0.040 0.000 1.042 753 S CB 2.149 65.385 63.200 0.059 0.000 1.043 753 S HN 0.174 nan 8.310 nan 0.000 0.489 754 A N 1.639 124.469 122.820 0.017 0.000 2.267 754 A HA 0.372 4.705 4.320 0.023 0.000 0.276 754 A C 1.411 178.971 177.584 -0.040 0.000 1.336 754 A CA -0.002 52.031 52.037 -0.007 0.000 0.815 754 A CB -0.167 18.826 19.000 -0.012 0.000 1.256 754 A HN 0.794 nan 8.150 nan 0.000 0.512 755 E N -0.050 120.099 120.200 -0.084 0.000 2.077 755 E HA -0.132 4.232 4.350 0.023 0.000 0.193 755 E C 0.631 177.026 176.600 -0.342 0.000 0.989 755 E CA 1.127 57.412 56.400 -0.192 0.000 0.800 755 E CB -0.353 29.247 29.700 -0.168 0.000 0.746 755 E HN 0.503 nan 8.360 nan 0.000 0.452 756 K N 2.313 122.602 120.400 -0.186 0.000 2.258 756 K HA -0.136 4.198 4.320 0.023 0.000 0.266 756 K C -1.084 175.533 176.600 0.028 0.000 1.204 756 K CA 0.143 56.378 56.287 -0.087 0.000 1.206 756 K CB -0.770 31.727 32.500 -0.004 0.000 0.854 756 K HN -0.115 nan 8.250 nan 0.000 0.453 757 Y N 2.768 123.094 120.300 0.043 0.000 2.383 757 Y HA 0.346 4.909 4.550 0.023 0.000 0.344 757 Y C 0.140 176.059 175.900 0.033 0.000 0.986 757 Y CA -1.752 56.373 58.100 0.041 0.000 1.175 757 Y CB 0.529 39.019 38.460 0.050 0.000 1.152 757 Y HN 0.684 nan 8.280 nan 0.000 0.511 758 D N -0.574 119.943 120.400 0.194 0.000 2.097 758 D HA 0.050 4.703 4.640 0.023 0.000 0.325 758 D C -0.070 176.268 176.300 0.063 0.000 1.087 758 D CA 0.242 54.306 54.000 0.106 0.000 0.917 758 D CB 0.075 40.927 40.800 0.088 0.000 1.784 758 D HN 0.253 nan 8.370 nan 0.000 0.532 759 V N 1.699 121.653 119.914 0.068 0.000 6.358 759 V HA -0.179 3.955 4.120 0.023 0.000 0.310 759 V C 0.266 176.379 176.094 0.032 0.000 0.525 759 V CA 0.338 62.665 62.300 0.045 0.000 0.682 759 V CB -2.789 29.051 31.823 0.029 0.000 0.430 759 V HN 0.659 nan 8.190 nan 0.000 0.720 760 S N 0.526 116.248 115.700 0.036 0.000 2.562 760 S HA 0.387 4.870 4.470 0.023 0.000 0.281 760 S C 1.665 176.276 174.600 0.020 0.000 1.333 760 S CA 0.095 58.311 58.200 0.027 0.000 1.052 760 S CB 1.658 64.875 63.200 0.028 0.000 0.884 760 S HN 1.934 nan 8.310 nan 0.000 0.506 761 S N 1.904 117.612 115.700 0.014 0.000 2.421 761 S HA -0.385 4.099 4.470 0.023 0.000 0.239 761 S C 1.737 176.344 174.600 0.011 0.000 1.054 761 S CA 1.805 60.011 58.200 0.010 0.000 1.035 761 S CB -0.936 62.268 63.200 0.007 0.000 0.840 761 S HN 0.861 nan 8.310 nan 0.000 0.475 762 Q N -0.065 119.743 119.800 0.014 0.000 2.181 762 Q HA -0.059 4.295 4.340 0.023 0.000 0.205 762 Q C 2.190 178.201 176.000 0.017 0.000 0.980 762 Q CA 1.636 57.448 55.803 0.014 0.000 0.862 762 Q CB -0.245 28.502 28.738 0.015 0.000 0.905 762 Q HN 0.565 nan 8.270 nan 0.000 0.429 763 V N 0.084 120.011 119.914 0.021 0.000 2.488 763 V HA -0.166 3.968 4.120 0.023 0.000 0.246 763 V C 1.862 177.970 176.094 0.024 0.000 1.046 763 V CA 1.137 63.453 62.300 0.026 0.000 1.053 763 V CB -0.139 31.705 31.823 0.035 0.000 0.679 763 V HN 0.369 nan 8.190 nan 0.000 0.458 764 I N -0.290 120.291 120.570 0.019 0.000 2.361 764 I HA -0.191 3.992 4.170 0.023 0.000 0.251 764 I C 2.670 178.795 176.117 0.013 0.000 1.133 764 I CA 1.580 62.889 61.300 0.015 0.000 1.413 764 I CB -0.599 37.406 38.000 0.008 0.000 1.073 764 I HN 0.287 nan 8.210 nan 0.000 0.424 765 S N 0.449 116.156 115.700 0.012 0.000 2.363 765 S HA -0.301 4.182 4.470 0.023 0.000 0.218 765 S C 2.062 176.668 174.600 0.011 0.000 1.035 765 S CA 1.909 60.115 58.200 0.010 0.000 1.043 765 S CB -0.202 63.004 63.200 0.010 0.000 0.986 765 S HN 0.374 nan 8.310 nan 0.000 0.423 766 Q N 0.672 120.479 119.800 0.013 0.000 2.096 766 Q HA -0.138 4.216 4.340 0.023 0.000 0.208 766 Q C 2.194 178.201 176.000 0.012 0.000 0.993 766 Q CA 2.051 57.861 55.803 0.013 0.000 0.862 766 Q CB -0.506 28.241 28.738 0.015 0.000 0.915 766 Q HN 0.613 nan 8.270 nan 0.000 0.416 767 L N 0.018 121.252 121.223 0.017 0.000 1.994 767 L HA -0.251 4.103 4.340 0.023 0.000 0.208 767 L C 1.907 178.785 176.870 0.012 0.000 1.071 767 L CA 1.463 56.314 54.840 0.019 0.000 0.745 767 L CB -0.171 41.907 42.059 0.030 0.000 0.892 767 L HN 0.097 nan 8.230 nan 0.000 0.431 768 K N -0.266 120.141 120.400 0.012 0.000 2.020 768 K HA -0.256 4.078 4.320 0.023 0.000 0.212 768 K C 2.063 178.667 176.600 0.006 0.000 1.050 768 K CA 1.609 57.901 56.287 0.008 0.000 0.929 768 K CB -0.692 31.813 32.500 0.008 0.000 0.714 768 K HN 0.475 nan 8.250 nan 0.000 0.443 769 Q N 1.168 120.971 119.800 0.006 0.000 2.050 769 Q HA -0.136 4.218 4.340 0.023 0.000 0.202 769 Q C 2.065 178.067 176.000 0.003 0.000 0.980 769 Q CA 1.487 57.293 55.803 0.005 0.000 0.840 769 Q CB 0.041 28.782 28.738 0.005 0.000 0.898 769 Q HN 0.265 nan 8.270 nan 0.000 0.424 770 K N 0.144 120.545 120.400 0.002 0.000 2.074 770 K HA -0.152 4.181 4.320 0.023 0.000 0.209 770 K C 2.261 178.858 176.600 -0.005 0.000 1.048 770 K CA 1.220 57.505 56.287 -0.003 0.000 0.926 770 K CB -0.176 32.321 32.500 -0.005 0.000 0.713 770 K HN 0.247 nan 8.250 nan 0.000 0.444 771 L N 0.751 121.971 121.223 -0.005 0.000 2.109 771 L HA -0.176 4.178 4.340 0.023 0.000 0.207 771 L C 2.531 179.402 176.870 0.001 0.000 1.086 771 L CA 1.254 56.090 54.840 -0.007 0.000 0.760 771 L CB -0.531 41.519 42.059 -0.014 0.000 0.910 771 L HN 0.317 nan 8.230 nan 0.000 0.437 772 E N 0.326 120.528 120.200 0.003 0.000 2.150 772 E HA -0.249 4.115 4.350 0.023 0.000 0.193 772 E C 1.852 178.458 176.600 0.010 0.000 0.985 772 E CA 1.359 57.764 56.400 0.008 0.000 0.814 772 E CB -0.513 29.192 29.700 0.008 0.000 0.752 772 E HN 0.535 nan 8.360 nan 0.000 0.466 773 N N 0.927 119.630 118.700 0.006 0.000 2.084 773 N HA -0.189 4.565 4.740 0.023 0.000 0.190 773 N C 2.076 177.590 175.510 0.006 0.000 1.030 773 N CA 1.121 54.175 53.050 0.005 0.000 0.849 773 N CB -0.084 38.404 38.487 0.002 0.000 1.012 773 N HN 0.230 nan 8.380 nan 0.000 0.423 774 L N 0.962 122.188 121.223 0.004 0.000 2.093 774 L HA -0.157 4.197 4.340 0.023 0.000 0.208 774 L C 2.786 179.667 176.870 0.018 0.000 1.085 774 L CA 1.078 55.921 54.840 0.005 0.000 0.755 774 L CB -0.419 41.637 42.059 -0.004 0.000 0.904 774 L HN 0.314 nan 8.230 nan 0.000 0.435 775 Q N 0.035 119.851 119.800 0.025 0.000 2.112 775 Q HA -0.214 4.140 4.340 0.023 0.000 0.206 775 Q C 1.654 177.679 176.000 0.041 0.000 0.987 775 Q CA 1.920 57.748 55.803 0.042 0.000 0.858 775 Q CB -0.018 28.743 28.738 0.038 0.000 0.905 775 Q HN 0.441 nan 8.270 nan 0.000 0.420 776 N N -0.933 117.784 118.700 0.029 0.000 2.173 776 N HA 0.037 4.791 4.740 0.023 0.000 0.195 776 N C 1.143 176.668 175.510 0.024 0.000 1.049 776 N CA 1.475 54.541 53.050 0.026 0.000 0.977 776 N CB -0.505 37.995 38.487 0.021 0.000 1.163 776 N HN 0.102 nan 8.380 nan 0.000 0.505 777 S N 0.120 115.830 115.700 0.017 0.000 2.660 777 S HA 0.011 4.494 4.470 0.023 0.000 0.228 777 S C 0.927 175.534 174.600 0.011 0.000 0.966 777 S CA 0.609 58.818 58.200 0.014 0.000 0.940 777 S CB -0.101 63.106 63.200 0.011 0.000 0.773 777 S HN 0.310 nan 8.310 nan 0.000 0.535 778 Q N -0.082 119.724 119.800 0.011 0.000 2.631 778 Q HA 0.372 4.725 4.340 0.023 0.000 0.220 778 Q C 0.170 176.171 176.000 0.001 0.000 0.819 778 Q CA -0.168 55.637 55.803 0.003 0.000 0.914 778 Q CB -0.121 28.616 28.738 -0.002 0.000 1.248 778 Q HN 0.341 nan 8.270 nan 0.000 0.629 779 L N 3.773 125.001 121.223 0.008 0.000 2.477 779 L HA 0.252 4.606 4.340 0.023 0.000 0.272 779 L C -2.311 174.575 176.870 0.027 0.000 1.157 779 L CA -1.791 53.054 54.840 0.008 0.000 0.889 779 L CB 0.163 42.243 42.059 0.035 0.000 1.158 779 L HN -0.015 nan 8.230 nan 0.000 0.473 780 P HA -0.050 nan 4.420 nan 0.000 0.267 780 P C 0.443 177.796 177.300 0.088 0.000 1.195 780 P CA 0.028 63.149 63.100 0.035 0.000 0.773 780 P CB 0.485 32.194 31.700 0.016 0.000 0.837 781 E N 0.334 120.582 120.200 0.081 0.000 2.097 781 E HA -0.121 4.242 4.350 0.023 0.000 0.196 781 E C 0.715 177.394 176.600 0.131 0.000 1.000 781 E CA 1.696 58.153 56.400 0.094 0.000 0.804 781 E CB -0.082 29.660 29.700 0.069 0.000 0.740 781 E HN 0.657 nan 8.360 nan 0.000 0.454 782 S N -1.170 114.615 115.700 0.142 0.000 2.588 782 S HA 0.597 5.081 4.470 0.023 0.000 0.269 782 S C -1.014 173.714 174.600 0.214 0.000 1.157 782 S CA -1.050 57.239 58.200 0.149 0.000 0.824 782 S CB 1.541 64.753 63.200 0.020 0.000 1.126 782 S HN 0.152 nan 8.310 nan 0.000 0.464 783 F N -1.510 118.371 119.950 -0.114 0.000 2.665 783 F HA 0.728 5.269 4.527 0.023 0.000 0.308 783 F C -0.690 175.011 175.800 -0.166 0.000 1.112 783 F CA -1.249 56.672 58.000 -0.131 0.000 0.972 783 F CB 1.106 40.024 39.000 -0.136 0.000 1.295 783 F HN 0.745 nan 8.300 nan 0.000 0.440 784 R N 1.463 121.912 120.500 -0.086 0.000 2.537 784 R HA 0.476 4.830 4.340 0.023 0.000 0.280 784 R C -0.907 175.274 176.300 -0.198 0.000 1.058 784 R CA -0.396 55.587 56.100 -0.195 0.000 1.057 784 R CB 0.992 31.225 30.300 -0.113 0.000 0.973 784 R HN 0.641 nan 8.270 nan 0.000 0.438 785 V N 7.965 127.635 119.914 -0.408 0.000 2.415 785 V HA 0.040 4.174 4.120 0.023 0.000 0.267 785 V C -1.448 174.364 176.094 -0.470 0.000 1.042 785 V CA -1.194 60.802 62.300 -0.506 0.000 1.000 785 V CB 1.203 32.620 31.823 -0.676 0.000 1.015 785 V HN 0.751 nan 8.190 nan 0.000 0.478 786 P HA -0.211 nan 4.420 nan 0.000 0.218 786 P C 1.024 178.171 177.300 -0.255 0.000 1.154 786 P CA 1.850 64.703 63.100 -0.412 0.000 0.872 786 P CB -0.029 31.120 31.700 -0.919 0.000 0.790 787 Y N -3.181 117.049 120.300 -0.118 0.000 2.457 787 Y HA 0.469 5.033 4.550 0.023 0.000 0.263 787 Y C -0.027 175.948 175.900 0.124 0.000 1.164 787 Y CA -0.721 57.421 58.100 0.070 0.000 1.274 787 Y CB -0.503 38.010 38.460 0.087 0.000 1.097 787 Y HN -0.184 nan 8.280 nan 0.000 0.523 788 D N 1.331 121.653 120.400 -0.130 0.000 2.527 788 D HA 0.214 4.868 4.640 0.023 0.000 0.242 788 D C -2.516 173.616 176.300 -0.280 0.000 1.285 788 D CA -2.068 51.900 54.000 -0.054 0.000 0.886 788 D CB 1.313 42.138 40.800 0.043 0.000 1.402 788 D HN -0.081 nan 8.370 nan 0.000 0.528 789 P HA 0.031 nan 4.420 nan 0.000 0.231 789 P C 1.335 178.428 177.300 -0.345 0.000 1.158 789 P CA 0.446 63.185 63.100 -0.601 0.000 0.763 789 P CB 0.300 31.367 31.700 -1.054 0.000 0.805 790 G N 0.379 109.046 108.800 -0.222 0.000 2.394 790 G HA2 -0.087 3.886 3.960 0.023 0.000 0.215 790 G HA3 -0.087 3.886 3.960 0.023 0.000 0.215 790 G C 0.668 175.435 174.900 -0.223 0.000 1.165 790 G CA 0.013 45.005 45.100 -0.181 0.000 0.784 790 G HN 0.230 nan 8.290 nan 0.000 0.535 791 L N 1.691 122.775 121.223 -0.232 0.000 2.369 791 L HA 0.235 4.588 4.340 0.023 0.000 0.279 791 L C -0.114 176.566 176.870 -0.317 0.000 1.108 791 L CA -0.442 54.248 54.840 -0.251 0.000 0.852 791 L CB 0.930 42.852 42.059 -0.228 0.000 1.169 791 L HN -0.047 nan 8.230 nan 0.000 0.452 792 K N 3.704 123.931 120.400 -0.287 0.000 2.262 792 K HA 0.486 4.819 4.320 0.023 0.000 0.282 792 K C -0.230 176.136 176.600 -0.389 0.000 1.066 792 K CA -0.191 55.903 56.287 -0.321 0.000 0.901 792 K CB 1.667 34.043 32.500 -0.206 0.000 1.089 792 K HN 0.613 nan 8.250 nan 0.000 0.476 793 A N 2.761 125.167 122.820 -0.689 0.000 2.310 793 A HA 0.680 5.014 4.320 0.023 0.000 0.299 793 A C 0.744 178.072 177.584 -0.426 0.000 1.147 793 A CA -0.101 51.504 52.037 -0.719 0.000 0.818 793 A CB 0.955 19.155 19.000 -1.333 0.000 1.096 793 A HN 0.718 nan 8.150 nan 0.000 0.495 794 G N 0.323 109.073 108.800 -0.084 0.000 3.434 794 G HA2 0.549 4.523 3.960 0.023 0.000 0.192 794 G HA3 0.549 4.523 3.960 0.023 0.000 0.192 794 G C 0.467 175.551 174.900 0.307 0.000 1.704 794 G CA 0.251 45.408 45.100 0.095 0.000 0.936 794 G HN 1.388 nan 8.290 nan 0.000 0.623 795 A N -0.640 122.330 122.820 0.249 0.000 2.340 795 A HA 0.621 4.955 4.320 0.023 0.000 0.268 795 A C 0.085 177.817 177.584 0.247 0.000 1.100 795 A CA -0.462 51.723 52.037 0.247 0.000 0.803 795 A CB 0.174 19.254 19.000 0.134 0.000 1.043 795 A HN 0.479 nan 8.150 nan 0.000 0.488 796 L N 1.276 122.585 121.223 0.143 0.000 2.525 796 L HA 0.145 4.498 4.340 0.023 0.000 0.278 796 L C 1.131 177.965 176.870 -0.060 0.000 1.218 796 L CA 0.232 54.989 54.840 -0.138 0.000 0.878 796 L CB 0.614 42.577 42.059 -0.160 0.000 1.127 796 L HN 0.776 nan 8.230 nan 0.000 0.492 797 A N 5.152 127.918 122.820 -0.089 0.000 3.126 797 A HA 0.296 4.630 4.320 0.023 0.000 0.268 797 A C 1.381 178.953 177.584 -0.021 0.000 1.605 797 A CA -0.371 51.655 52.037 -0.018 0.000 1.305 797 A CB -0.699 18.311 19.000 0.018 0.000 1.160 797 A HN 0.859 nan 8.150 nan 0.000 0.609 798 I N -0.003 120.552 120.570 -0.024 0.000 2.227 798 I HA -0.383 3.800 4.170 0.023 0.000 0.250 798 I C 2.054 178.173 176.117 0.005 0.000 1.087 798 I CA 1.928 63.219 61.300 -0.015 0.000 1.352 798 I CB -0.180 37.816 38.000 -0.006 0.000 1.043 798 I HN 0.561 nan 8.210 nan 0.000 0.425 799 E N 0.621 120.829 120.200 0.012 0.000 2.268 799 E HA -0.161 4.203 4.350 0.023 0.000 0.195 799 E C 1.929 178.542 176.600 0.023 0.000 0.995 799 E CA 0.868 57.277 56.400 0.015 0.000 0.836 799 E CB -0.066 29.642 29.700 0.015 0.000 0.763 799 E HN 0.472 nan 8.360 nan 0.000 0.491 800 K N -0.273 120.154 120.400 0.045 0.000 2.356 800 K HA 0.145 4.479 4.320 0.023 0.000 0.195 800 K C 0.023 176.705 176.600 0.136 0.000 1.037 800 K CA -0.007 56.331 56.287 0.084 0.000 1.014 800 K CB 0.343 32.924 32.500 0.136 0.000 0.815 800 K HN 0.061 nan 8.250 nan 0.000 0.507 801 C N 3.315 122.684 119.300 0.115 0.000 2.648 801 C HA 0.167 4.641 4.460 0.023 0.000 0.419 801 C C 0.511 175.566 174.990 0.108 0.000 1.352 801 C CA -0.518 58.594 59.018 0.157 0.000 1.816 801 C CB -0.925 26.855 27.740 0.067 0.000 2.598 801 C HN 0.480 nan 8.230 nan 0.000 0.598 802 K N 1.661 122.153 120.400 0.153 0.000 2.234 802 K HA 0.896 5.230 4.320 0.023 0.000 0.263 802 K C -1.833 174.840 176.600 0.123 0.000 1.006 802 K CA -0.779 55.548 56.287 0.067 0.000 0.854 802 K CB 1.207 33.668 32.500 -0.066 0.000 1.497 802 K HN 0.254 nan 8.250 nan 0.000 0.417 803 V N 1.117 121.077 119.914 0.077 0.000 2.888 803 V HA 0.329 4.463 4.120 0.023 0.000 0.309 803 V C -0.819 175.320 176.094 0.075 0.000 1.114 803 V CA -0.901 61.462 62.300 0.105 0.000 0.940 803 V CB 2.062 33.939 31.823 0.091 0.000 1.021 803 V HN 0.751 nan 8.190 nan 0.000 0.426 804 M N 3.341 123.002 119.600 0.102 0.000 2.233 804 M HA 0.474 4.968 4.480 0.023 0.000 0.350 804 M C 0.644 176.980 176.300 0.059 0.000 1.176 804 M CA -0.287 55.054 55.300 0.069 0.000 1.150 804 M CB 1.175 33.829 32.600 0.091 0.000 1.530 804 M HN 0.841 nan 8.290 nan 0.000 0.459 805 A N 4.139 126.968 122.820 0.015 0.000 2.981 805 A HA 0.373 4.706 4.320 0.023 0.000 0.280 805 A C -0.161 177.410 177.584 -0.021 0.000 1.797 805 A CA 0.239 52.279 52.037 0.004 0.000 1.456 805 A CB -0.614 18.353 19.000 -0.056 0.000 1.057 805 A HN 0.739 nan 8.150 nan 0.000 0.602 806 S N 0.973 116.749 115.700 0.125 0.000 2.547 806 S HA 0.388 4.871 4.470 0.023 0.000 0.270 806 S C 0.599 175.418 174.600 0.364 0.000 1.150 806 S CA -0.621 57.702 58.200 0.204 0.000 0.850 806 S CB 1.010 64.279 63.200 0.115 0.000 1.118 806 S HN 0.508 nan 8.310 nan 0.000 0.461 807 K N 1.231 121.909 120.400 0.463 0.000 2.044 807 K HA -0.065 4.268 4.320 0.023 0.000 0.210 807 K C 0.178 176.875 176.600 0.161 0.000 1.049 807 K CA 1.385 57.820 56.287 0.247 0.000 0.927 807 K CB -0.221 32.391 32.500 0.187 0.000 0.713 807 K HN 0.460 nan 8.250 nan 0.000 0.443 808 K N 1.196 121.690 120.400 0.157 0.000 2.185 808 K HA 0.126 4.459 4.320 0.023 0.000 0.271 808 K C -0.372 176.318 176.600 0.151 0.000 1.013 808 K CA -0.081 56.289 56.287 0.139 0.000 0.943 808 K CB 0.936 33.503 32.500 0.111 0.000 0.998 808 K HN -0.153 nan 8.250 nan 0.000 0.468 809 K N 3.543 124.036 120.400 0.155 0.000 2.562 809 K HA 0.245 4.578 4.320 0.023 0.000 0.206 809 K C -2.645 174.051 176.600 0.160 0.000 1.033 809 K CA -1.734 54.642 56.287 0.147 0.000 1.029 809 K CB 1.104 33.682 32.500 0.130 0.000 1.393 809 K HN 0.441 nan 8.250 nan 0.000 0.539 810 P HA 0.161 nan 4.420 nan 0.000 0.275 810 P C -0.185 177.244 177.300 0.215 0.000 1.227 810 P CA -0.738 62.480 63.100 0.196 0.000 0.781 810 P CB 0.743 32.551 31.700 0.180 0.000 0.906 811 L N 3.204 124.575 121.223 0.248 0.000 2.397 811 L HA 0.264 4.618 4.340 0.023 0.000 0.271 811 L C 0.165 177.235 176.870 0.334 0.000 1.148 811 L CA 0.009 55.008 54.840 0.266 0.000 0.825 811 L CB -0.383 41.827 42.059 0.251 0.000 1.117 811 L HN 0.511 nan 8.230 nan 0.000 0.456 812 W N 6.765 128.136 121.300 0.119 0.000 2.296 812 W HA 0.491 5.164 4.660 0.023 0.000 0.316 812 W C -1.930 174.648 176.519 0.099 0.000 1.022 812 W CA -0.816 56.595 57.345 0.110 0.000 1.324 812 W CB 0.939 30.443 29.460 0.073 0.000 1.227 812 W HN 0.291 nan 8.180 nan 0.000 0.409 813 L N 5.553 126.849 121.223 0.122 0.000 2.346 813 L HA 0.516 4.869 4.340 0.023 0.000 0.274 813 L C -0.021 176.828 176.870 -0.034 0.000 1.007 813 L CA -0.771 54.117 54.840 0.081 0.000 0.818 813 L CB 2.349 44.490 42.059 0.137 0.000 1.284 813 L HN 0.286 nan 8.230 nan 0.000 0.424 814 E N 2.157 122.282 120.200 -0.124 0.000 2.272 814 E HA 0.577 4.941 4.350 0.023 0.000 0.269 814 E C -1.667 174.789 176.600 -0.240 0.000 0.877 814 E CA -0.569 55.802 56.400 -0.048 0.000 0.755 814 E CB 2.823 32.590 29.700 0.111 0.000 1.192 814 E HN 0.230 nan 8.360 nan 0.000 0.422 815 F N 0.989 120.998 119.950 0.100 0.000 2.577 815 F HA 0.404 4.945 4.527 0.023 0.000 0.318 815 F C 0.535 176.360 175.800 0.041 0.000 1.065 815 F CA -0.971 57.082 58.000 0.088 0.000 0.929 815 F CB 1.598 40.652 39.000 0.090 0.000 1.237 815 F HN 0.050 nan 8.300 nan 0.000 0.468 816 K N 0.396 120.940 120.400 0.240 0.000 2.126 816 K HA 0.364 4.698 4.320 0.023 0.000 0.257 816 K C -0.895 175.751 176.600 0.077 0.000 1.007 816 K CA -0.592 55.771 56.287 0.126 0.000 0.928 816 K CB 1.328 33.886 32.500 0.097 0.000 1.013 816 K HN 0.635 nan 8.250 nan 0.000 0.473 817 C N 2.372 121.685 119.300 0.022 0.000 2.225 817 C HA 0.331 4.805 4.460 0.023 0.000 0.328 817 C C 1.645 176.608 174.990 -0.045 0.000 1.187 817 C CA -0.456 58.539 59.018 -0.037 0.000 1.665 817 C CB -1.239 26.476 27.740 -0.043 0.000 2.253 817 C HN 0.894 nan 8.230 nan 0.000 0.497 818 A N 3.753 126.530 122.820 -0.071 0.000 2.093 818 A HA -0.118 4.215 4.320 0.023 0.000 0.222 818 A C 1.029 178.579 177.584 -0.055 0.000 1.162 818 A CA 1.560 53.564 52.037 -0.054 0.000 0.655 818 A CB -0.322 18.634 19.000 -0.074 0.000 0.805 818 A HN 0.892 nan 8.150 nan 0.000 0.461 819 D N -0.861 119.494 120.400 -0.076 0.000 2.313 819 D HA 0.274 4.928 4.640 0.023 0.000 0.239 819 D C -1.458 174.803 176.300 -0.064 0.000 1.142 819 D CA -2.152 51.800 54.000 -0.080 0.000 0.847 819 D CB 1.303 42.034 40.800 -0.116 0.000 1.082 819 D HN 0.096 nan 8.370 nan 0.000 0.480 820 P HA -0.086 nan 4.420 nan 0.000 0.223 820 P C 0.989 178.259 177.300 -0.051 0.000 1.151 820 P CA 0.850 63.928 63.100 -0.037 0.000 0.787 820 P CB -0.052 31.635 31.700 -0.023 0.000 0.788 821 T N -2.972 111.538 114.554 -0.073 0.000 3.160 821 T HA 0.260 4.624 4.350 0.023 0.000 0.257 821 T C 1.037 175.661 174.700 -0.127 0.000 1.147 821 T CA -0.025 62.016 62.100 -0.100 0.000 1.064 821 T CB -0.910 67.887 68.868 -0.118 0.000 0.949 821 T HN 0.115 nan 8.240 nan 0.000 0.526 822 A N 2.143 124.901 122.820 -0.104 0.000 2.537 822 A HA 0.407 4.740 4.320 0.023 0.000 0.260 822 A C 1.491 179.020 177.584 -0.092 0.000 1.082 822 A CA -0.301 51.677 52.037 -0.099 0.000 0.765 822 A CB -0.360 18.596 19.000 -0.073 0.000 1.019 822 A HN 0.623 nan 8.150 nan 0.000 0.507 823 L N 3.448 124.600 121.223 -0.118 0.000 2.189 823 L HA -0.058 4.296 4.340 0.023 0.000 0.214 823 L C 1.167 177.987 176.870 -0.082 0.000 1.097 823 L CA 2.506 57.265 54.840 -0.136 0.000 0.764 823 L CB -0.379 41.552 42.059 -0.214 0.000 0.900 823 L HN 0.632 nan 8.230 nan 0.000 0.436 824 S N -1.101 114.571 115.700 -0.048 0.000 2.776 824 S HA 0.462 4.946 4.470 0.023 0.000 0.306 824 S C 0.266 174.862 174.600 -0.006 0.000 1.114 824 S CA -0.225 57.964 58.200 -0.018 0.000 0.973 824 S CB 1.076 64.278 63.200 0.004 0.000 1.250 824 S HN 0.547 nan 8.310 nan 0.000 0.549 825 N N -0.165 118.541 118.700 0.010 0.000 2.240 825 N HA 0.249 5.003 4.740 0.023 0.000 0.240 825 N C -0.908 174.623 175.510 0.036 0.000 1.277 825 N CA -0.308 52.753 53.050 0.019 0.000 0.873 825 N CB 0.867 39.365 38.487 0.019 0.000 1.222 825 N HN 0.443 nan 8.380 nan 0.000 0.507 826 E N 1.725 121.950 120.200 0.042 0.000 2.373 826 E HA 0.081 4.445 4.350 0.023 0.000 0.267 826 E C 0.219 176.861 176.600 0.070 0.000 1.032 826 E CA -0.086 56.351 56.400 0.061 0.000 0.889 826 E CB 0.780 30.520 29.700 0.068 0.000 0.984 826 E HN 0.245 nan 8.360 nan 0.000 0.425 827 T N 0.066 114.674 114.554 0.090 0.000 2.882 827 T HA 0.356 4.720 4.350 0.023 0.000 0.287 827 T C 0.387 175.155 174.700 0.112 0.000 1.014 827 T CA -0.638 61.526 62.100 0.107 0.000 1.049 827 T CB 0.478 69.418 68.868 0.121 0.000 1.001 827 T HN 0.264 nan 8.240 nan 0.000 0.525 828 I N 2.017 122.672 120.570 0.142 0.000 2.337 828 I HA 0.407 4.591 4.170 0.023 0.000 0.291 828 I C 1.104 177.347 176.117 0.209 0.000 1.046 828 I CA -0.352 61.035 61.300 0.145 0.000 1.324 828 I CB 0.579 38.630 38.000 0.086 0.000 1.409 828 I HN 0.897 nan 8.210 nan 0.000 0.494 829 G N 7.811 116.679 108.800 0.113 0.000 2.332 829 G HA2 0.714 4.688 3.960 0.023 0.000 0.310 829 G HA3 0.714 4.688 3.960 0.023 0.000 0.310 829 G C -0.558 174.363 174.900 0.034 0.000 1.123 829 G CA -0.395 44.695 45.100 -0.017 0.000 0.873 829 G HN 0.515 nan 8.290 nan 0.000 0.460 830 I N 2.424 123.031 120.570 0.062 0.000 2.499 830 I HA 0.331 4.515 4.170 0.023 0.000 0.288 830 I C -0.533 175.584 176.117 -0.000 0.000 1.048 830 I CA -0.732 60.632 61.300 0.105 0.000 1.062 830 I CB 2.445 40.636 38.000 0.318 0.000 1.238 830 I HN 0.223 nan 8.210 nan 0.000 0.426 831 I N 5.405 125.918 120.570 -0.096 0.000 2.331 831 I HA 0.309 4.492 4.170 0.023 0.000 0.292 831 I C -0.788 175.322 176.117 -0.011 0.000 0.998 831 I CA -0.244 61.048 61.300 -0.014 0.000 1.267 831 I CB 0.943 38.916 38.000 -0.045 0.000 1.386 831 I HN 0.343 nan 8.210 nan 0.000 0.476 832 F N 6.092 126.109 119.950 0.112 0.000 2.436 832 F HA 0.518 5.059 4.527 0.023 0.000 0.340 832 F C 0.186 176.064 175.800 0.130 0.000 1.113 832 F CA -0.426 57.649 58.000 0.125 0.000 1.022 832 F CB 1.469 40.547 39.000 0.129 0.000 1.128 832 F HN 0.299 nan 8.300 nan 0.000 0.466 833 K N 2.465 123.043 120.400 0.296 0.000 2.535 833 K HA 0.347 4.680 4.320 0.023 0.000 0.251 833 K C -1.953 174.797 176.600 0.251 0.000 0.942 833 K CA -0.848 55.576 56.287 0.228 0.000 0.798 833 K CB 1.389 33.974 32.500 0.142 0.000 1.267 833 K HN 0.755 nan 8.250 nan 0.000 0.434 834 H N 1.649 120.808 119.070 0.149 0.000 2.495 834 H HA 0.606 5.176 4.556 0.023 0.000 0.348 834 H C 0.438 175.829 175.328 0.104 0.000 1.113 834 H CA 0.885 57.007 56.048 0.124 0.000 1.195 834 H CB 1.890 31.721 29.762 0.116 0.000 1.521 834 H HN 0.736 nan 8.280 nan 0.000 0.509 835 G N 4.259 112.691 108.800 -0.614 0.000 3.288 835 G HA2 -0.164 3.810 3.960 0.023 0.000 0.195 835 G HA3 -0.164 3.810 3.960 0.023 0.000 0.195 835 G C -0.561 174.236 174.900 -0.171 0.000 1.093 835 G CA -0.051 44.812 45.100 -0.394 0.000 0.852 835 G HN 0.622 nan 8.290 nan 0.000 0.453 836 D N 1.439 121.794 120.400 -0.075 0.000 2.225 836 D HA 0.431 5.085 4.640 0.023 0.000 0.249 836 D C -0.979 175.320 176.300 -0.002 0.000 1.052 836 D CA -0.257 53.737 54.000 -0.010 0.000 0.909 836 D CB 1.805 42.630 40.800 0.042 0.000 1.186 836 D HN 0.095 nan 8.370 nan 0.000 0.431 837 D N 2.011 122.411 120.400 0.001 0.000 2.455 837 D HA 0.015 4.669 4.640 0.023 0.000 0.234 837 D C 0.948 177.276 176.300 0.047 0.000 1.224 837 D CA -0.378 53.628 54.000 0.011 0.000 0.999 837 D CB 0.196 40.979 40.800 -0.028 0.000 1.072 837 D HN 0.081 nan 8.370 nan 0.000 0.514 838 L N 3.065 124.329 121.223 0.069 0.000 2.551 838 L HA -0.072 4.282 4.340 0.023 0.000 0.230 838 L C 2.245 179.161 176.870 0.078 0.000 1.163 838 L CA 0.994 55.891 54.840 0.094 0.000 0.826 838 L CB -0.463 41.655 42.059 0.098 0.000 0.943 838 L HN 0.334 nan 8.230 nan 0.000 0.452 839 R N -1.288 119.242 120.500 0.051 0.000 2.092 839 R HA -0.161 4.192 4.340 0.023 0.000 0.231 839 R C 2.158 178.464 176.300 0.010 0.000 1.119 839 R CA 1.099 57.212 56.100 0.022 0.000 0.970 839 R CB -0.119 30.185 30.300 0.007 0.000 0.864 839 R HN 0.438 nan 8.270 nan 0.000 0.440 840 Q N 0.373 120.192 119.800 0.031 0.000 2.050 840 Q HA -0.177 4.176 4.340 0.023 0.000 0.202 840 Q C 1.401 177.447 176.000 0.077 0.000 0.980 840 Q CA 1.994 57.825 55.803 0.046 0.000 0.840 840 Q CB 0.035 28.819 28.738 0.077 0.000 0.898 840 Q HN 0.290 nan 8.270 nan 0.000 0.424 841 D N -0.302 120.186 120.400 0.147 0.000 2.123 841 D HA -0.178 4.476 4.640 0.023 0.000 0.196 841 D C 1.693 178.039 176.300 0.076 0.000 0.992 841 D CA 1.239 55.373 54.000 0.224 0.000 0.833 841 D CB 0.005 40.987 40.800 0.303 0.000 0.954 841 D HN 0.224 nan 8.370 nan 0.000 0.455 842 M N -0.304 119.315 119.600 0.032 0.000 2.086 842 M HA -0.145 4.348 4.480 0.023 0.000 0.261 842 M C 1.641 177.882 176.300 -0.099 0.000 1.067 842 M CA 0.825 56.106 55.300 -0.032 0.000 1.116 842 M CB -0.133 32.434 32.600 -0.054 0.000 1.348 842 M HN 0.089 nan 8.290 nan 0.000 0.407 843 L N 0.357 121.522 121.223 -0.097 0.000 2.017 843 L HA -0.182 4.171 4.340 0.023 0.000 0.208 843 L C 2.368 179.160 176.870 -0.129 0.000 1.073 843 L CA 1.720 56.491 54.840 -0.115 0.000 0.745 843 L CB -1.168 40.835 42.059 -0.093 0.000 0.894 843 L HN 0.276 nan 8.230 nan 0.000 0.432 844 I N -1.196 119.276 120.570 -0.162 0.000 2.202 844 I HA -0.246 3.938 4.170 0.023 0.000 0.242 844 I C 2.462 178.392 176.117 -0.312 0.000 1.091 844 I CA 0.844 61.973 61.300 -0.286 0.000 1.368 844 I CB -1.015 36.650 38.000 -0.558 0.000 1.058 844 I HN 0.184 nan 8.210 nan 0.000 0.410 845 L N 0.510 121.568 121.223 -0.274 0.000 2.043 845 L HA -0.231 4.122 4.340 0.023 0.000 0.212 845 L C 2.542 179.321 176.870 -0.151 0.000 1.075 845 L CA 1.767 56.482 54.840 -0.208 0.000 0.752 845 L CB -1.444 40.508 42.059 -0.179 0.000 0.891 845 L HN 0.295 nan 8.230 nan 0.000 0.432 846 Q N -0.778 118.942 119.800 -0.134 0.000 2.297 846 Q HA -0.045 4.309 4.340 0.023 0.000 0.204 846 Q C 2.163 178.096 176.000 -0.111 0.000 0.962 846 Q CA 1.164 56.900 55.803 -0.111 0.000 0.879 846 Q CB -0.085 28.581 28.738 -0.121 0.000 0.947 846 Q HN 0.525 nan 8.270 nan 0.000 0.462 847 I N -0.719 119.780 120.570 -0.119 0.000 2.286 847 I HA -0.213 3.971 4.170 0.023 0.000 0.245 847 I C 1.348 177.370 176.117 -0.157 0.000 1.104 847 I CA 0.257 61.490 61.300 -0.111 0.000 1.397 847 I CB -0.130 37.824 38.000 -0.078 0.000 1.072 847 I HN 0.207 nan 8.210 nan 0.000 0.417 848 L N 0.789 121.916 121.223 -0.160 0.000 2.089 848 L HA -0.245 4.108 4.340 0.023 0.000 0.213 848 L C 2.571 179.350 176.870 -0.152 0.000 1.079 848 L CA 1.860 56.602 54.840 -0.162 0.000 0.758 848 L CB -0.923 41.069 42.059 -0.111 0.000 0.891 848 L HN 0.191 nan 8.230 nan 0.000 0.433 849 R N -1.071 119.364 120.500 -0.107 0.000 2.062 849 R HA -0.044 4.310 4.340 0.023 0.000 0.229 849 R C 2.322 178.549 176.300 -0.122 0.000 1.128 849 R CA 1.133 57.200 56.100 -0.055 0.000 0.960 849 R CB -0.431 29.877 30.300 0.013 0.000 0.855 849 R HN 0.284 nan 8.270 nan 0.000 0.432 850 I N 0.989 121.453 120.570 -0.178 0.000 2.248 850 I HA -0.357 3.826 4.170 0.023 0.000 0.248 850 I C 2.535 178.436 176.117 -0.360 0.000 1.107 850 I CA 1.560 62.689 61.300 -0.285 0.000 1.373 850 I CB -0.125 37.750 38.000 -0.209 0.000 1.055 850 I HN 0.224 nan 8.210 nan 0.000 0.418 851 M N -0.489 118.865 119.600 -0.410 0.000 2.077 851 M HA -0.202 4.292 4.480 0.023 0.000 0.261 851 M C 2.237 178.051 176.300 -0.810 0.000 1.070 851 M CA 1.696 56.560 55.300 -0.728 0.000 1.125 851 M CB -0.482 31.639 32.600 -0.799 0.000 1.339 851 M HN 0.164 nan 8.290 nan 0.000 0.409 852 E N 0.195 120.157 120.200 -0.397 0.000 2.065 852 E HA -0.252 4.112 4.350 0.023 0.000 0.201 852 E C 2.008 178.575 176.600 -0.055 0.000 1.016 852 E CA 2.017 58.386 56.400 -0.052 0.000 0.818 852 E CB -0.285 29.435 29.700 0.033 0.000 0.749 852 E HN 0.496 nan 8.360 nan 0.000 0.453 853 S N 0.621 116.216 115.700 -0.176 0.000 2.399 853 S HA -0.139 4.345 4.470 0.023 0.000 0.231 853 S C 2.031 176.508 174.600 -0.206 0.000 1.022 853 S CA 0.776 58.853 58.200 -0.204 0.000 0.983 853 S CB -0.322 62.578 63.200 -0.499 0.000 0.803 853 S HN 0.214 nan 8.310 nan 0.000 0.480 854 I N -0.289 120.078 120.570 -0.338 0.000 2.315 854 I HA -0.109 4.074 4.170 0.023 0.000 0.248 854 I C 2.305 178.353 176.117 -0.115 0.000 1.117 854 I CA 1.010 62.067 61.300 -0.405 0.000 1.404 854 I CB -0.342 37.294 38.000 -0.607 0.000 1.071 854 I HN 0.395 nan 8.210 nan 0.000 0.419 855 W N 1.227 122.472 121.300 -0.092 0.000 2.381 855 W HA -0.145 4.528 4.660 0.022 0.000 0.301 855 W C 2.485 179.018 176.519 0.022 0.000 1.205 855 W CA 0.866 58.186 57.345 -0.042 0.000 1.285 855 W CB -1.019 28.399 29.460 -0.071 0.000 1.133 855 W HN 0.252 nan 8.180 nan 0.000 0.521 856 E N 0.025 120.379 120.200 0.258 0.000 2.070 856 E HA -0.273 4.091 4.350 0.023 0.000 0.197 856 E C 2.130 178.836 176.600 0.177 0.000 1.004 856 E CA 2.775 59.327 56.400 0.252 0.000 0.805 856 E CB -0.228 29.573 29.700 0.169 0.000 0.744 856 E HN 0.190 nan 8.360 nan 0.000 0.451 857 T N -1.678 112.940 114.554 0.108 0.000 2.918 857 T HA -0.174 4.189 4.350 0.023 0.000 0.271 857 T C 1.114 175.883 174.700 0.114 0.000 1.104 857 T CA 1.550 63.703 62.100 0.089 0.000 1.114 857 T CB -0.153 68.758 68.868 0.072 0.000 0.855 857 T HN 0.182 nan 8.240 nan 0.000 0.518 858 E N 0.085 120.376 120.200 0.152 0.000 2.685 858 E HA 0.376 4.739 4.350 0.023 0.000 0.208 858 E C 0.195 176.887 176.600 0.152 0.000 0.996 858 E CA -0.274 56.207 56.400 0.134 0.000 1.054 858 E CB 0.444 30.230 29.700 0.143 0.000 1.075 858 E HN 0.306 nan 8.360 nan 0.000 0.460 859 S N 0.261 116.086 115.700 0.208 0.000 3.445 859 S HA -0.196 4.288 4.470 0.023 0.000 0.319 859 S C 0.095 174.920 174.600 0.374 0.000 1.209 859 S CA 0.450 58.836 58.200 0.310 0.000 0.934 859 S CB -0.936 62.383 63.200 0.199 0.000 0.999 859 S HN 0.240 nan 8.310 nan 0.000 0.582 860 L N 1.687 123.036 121.223 0.210 0.000 2.379 860 L HA 0.638 4.992 4.340 0.023 0.000 0.269 860 L C 0.367 177.081 176.870 -0.260 0.000 1.084 860 L CA 0.189 55.007 54.840 -0.037 0.000 0.802 860 L CB 0.803 42.748 42.059 -0.189 0.000 1.175 860 L HN 0.188 nan 8.230 nan 0.000 0.448 861 D N 1.993 122.105 120.400 -0.479 0.000 2.936 861 D HA 0.236 4.890 4.640 0.023 0.000 0.238 861 D C -0.904 175.285 176.300 -0.185 0.000 1.248 861 D CA -0.346 53.333 54.000 -0.536 0.000 0.903 861 D CB 1.784 41.919 40.800 -1.109 0.000 1.544 861 D HN 0.280 nan 8.370 nan 0.000 0.543 862 L N 3.271 124.426 121.223 -0.113 0.000 3.168 862 L HA 0.179 4.533 4.340 0.023 0.000 0.277 862 L C 0.880 177.765 176.870 0.025 0.000 1.245 862 L CA -0.129 54.655 54.840 -0.094 0.000 1.035 862 L CB -1.124 40.700 42.059 -0.392 0.000 1.399 862 L HN 0.642 nan 8.230 nan 0.000 0.580 863 C N 0.567 119.888 119.300 0.036 0.000 4.184 863 C HA -0.222 4.252 4.460 0.023 0.000 0.295 863 C C 1.544 176.618 174.990 0.140 0.000 1.477 863 C CA -0.095 58.967 59.018 0.074 0.000 2.037 863 C CB -3.088 24.704 27.740 0.087 0.000 1.282 863 C HN 0.383 nan 8.230 nan 0.000 0.783 864 L N -0.365 120.913 121.223 0.093 0.000 2.499 864 L HA 0.166 4.519 4.340 0.023 0.000 0.281 864 L C 0.573 177.577 176.870 0.224 0.000 1.234 864 L CA 0.429 55.322 54.840 0.090 0.000 0.839 864 L CB 0.195 42.194 42.059 -0.099 0.000 1.104 864 L HN 0.357 nan 8.230 nan 0.000 0.500 865 L N 4.734 126.199 121.223 0.403 0.000 2.408 865 L HA 0.346 4.700 4.340 0.023 0.000 0.257 865 L C -2.156 174.854 176.870 0.233 0.000 1.053 865 L CA -1.436 53.526 54.840 0.204 0.000 0.922 865 L CB 1.165 43.197 42.059 -0.045 0.000 1.261 865 L HN 0.351 nan 8.230 nan 0.000 0.458 866 P HA 0.165 nan 4.420 nan 0.000 0.241 866 P C -0.917 176.331 177.300 -0.086 0.000 1.780 866 P CA -0.254 62.843 63.100 -0.005 0.000 1.111 866 P CB -0.398 31.295 31.700 -0.012 0.000 1.852 867 Y N 0.185 120.510 120.300 0.042 0.000 2.607 867 Y HA 0.402 4.966 4.550 0.023 0.000 0.348 867 Y C 1.110 176.959 175.900 -0.085 0.000 1.261 867 Y CA -1.038 57.029 58.100 -0.056 0.000 1.480 867 Y CB -0.407 37.993 38.460 -0.100 0.000 1.358 867 Y HN 0.324 nan 8.280 nan 0.000 0.630 868 G N 0.441 109.181 108.800 -0.100 0.000 2.340 868 G HA2 0.304 4.278 3.960 0.023 0.000 0.245 868 G HA3 0.304 4.278 3.960 0.023 0.000 0.245 868 G C -1.178 173.587 174.900 -0.225 0.000 1.294 868 G CA -0.221 44.709 45.100 -0.283 0.000 0.896 868 G HN 1.033 nan 8.290 nan 0.000 0.522 869 C N 4.515 123.798 119.300 -0.029 0.000 2.608 869 C HA 0.710 5.184 4.460 0.023 0.000 0.325 869 C C -0.974 174.089 174.990 0.121 0.000 1.147 869 C CA -0.942 58.109 59.018 0.055 0.000 1.359 869 C CB 0.367 28.176 27.740 0.115 0.000 1.912 869 C HN 0.595 nan 8.230 nan 0.000 0.466 870 I N 4.496 125.127 120.570 0.100 0.000 2.533 870 I HA 0.315 4.498 4.170 0.023 0.000 0.290 870 I C 0.295 176.478 176.117 0.110 0.000 1.056 870 I CA -0.006 61.372 61.300 0.131 0.000 1.057 870 I CB 1.815 39.842 38.000 0.045 0.000 1.240 870 I HN 0.669 nan 8.210 nan 0.000 0.423 871 S N 2.897 118.690 115.700 0.154 0.000 2.499 871 S HA 0.303 4.787 4.470 0.023 0.000 0.275 871 S C 1.139 175.861 174.600 0.204 0.000 1.257 871 S CA -0.212 58.079 58.200 0.151 0.000 1.050 871 S CB 0.444 63.721 63.200 0.128 0.000 0.937 871 S HN 0.775 nan 8.310 nan 0.000 0.490 872 T N 1.778 116.454 114.554 0.202 0.000 3.000 872 T HA 0.510 4.874 4.350 0.023 0.000 0.248 872 T C 0.900 175.733 174.700 0.222 0.000 1.034 872 T CA 0.237 62.496 62.100 0.265 0.000 1.060 872 T CB 0.225 69.262 68.868 0.282 0.000 0.983 872 T HN 0.749 nan 8.240 nan 0.000 0.482 873 G N 0.787 109.697 108.800 0.183 0.000 2.435 873 G HA2 0.396 4.370 3.960 0.023 0.000 0.296 873 G HA3 0.396 4.370 3.960 0.023 0.000 0.296 873 G C -2.048 172.939 174.900 0.145 0.000 1.240 873 G CA -0.658 44.534 45.100 0.153 0.000 0.872 873 G HN 0.090 nan 8.290 nan 0.000 0.480 874 D N 1.008 121.492 120.400 0.140 0.000 2.382 874 D HA 0.207 4.860 4.640 0.023 0.000 0.259 874 D C 0.875 177.277 176.300 0.170 0.000 1.224 874 D CA 0.311 54.392 54.000 0.136 0.000 0.894 874 D CB 0.245 41.122 40.800 0.128 0.000 1.127 874 D HN 0.495 nan 8.370 nan 0.000 0.487 875 K N 1.790 122.256 120.400 0.109 0.000 2.938 875 K HA -0.243 4.091 4.320 0.023 0.000 0.250 875 K C -0.072 176.588 176.600 0.101 0.000 0.939 875 K CA 0.528 56.845 56.287 0.049 0.000 0.694 875 K CB -1.291 31.171 32.500 -0.064 0.000 1.267 875 K HN 0.574 nan 8.250 nan 0.000 0.483 876 I N -1.590 119.087 120.570 0.179 0.000 2.865 876 I HA 0.645 4.828 4.170 0.023 0.000 0.302 876 I C 0.155 176.385 176.117 0.189 0.000 1.140 876 I CA -0.112 61.328 61.300 0.233 0.000 1.021 876 I CB 2.246 40.431 38.000 0.309 0.000 1.233 876 I HN 0.171 nan 8.210 nan 0.000 0.427 877 G N 5.733 114.647 108.800 0.189 0.000 2.317 877 G HA2 0.321 4.294 3.960 0.023 0.000 0.293 877 G HA3 0.321 4.294 3.960 0.023 0.000 0.293 877 G C -1.658 173.203 174.900 -0.066 0.000 1.287 877 G CA -0.534 44.627 45.100 0.103 0.000 0.850 877 G HN 0.749 nan 8.290 nan 0.000 0.515 878 M N -0.823 118.654 119.600 -0.205 0.000 2.664 878 M HA 0.920 5.414 4.480 0.023 0.000 0.314 878 M C -1.288 174.918 176.300 -0.156 0.000 1.200 878 M CA -0.947 54.111 55.300 -0.404 0.000 0.916 878 M CB 2.310 34.510 32.600 -0.667 0.000 1.717 878 M HN 0.453 nan 8.290 nan 0.000 0.470 879 I N 0.806 121.274 120.570 -0.171 0.000 2.656 879 I HA 0.277 4.461 4.170 0.023 0.000 0.292 879 I C -0.643 175.328 176.117 -0.245 0.000 1.144 879 I CA -0.625 60.594 61.300 -0.135 0.000 1.038 879 I CB 2.477 40.432 38.000 -0.074 0.000 1.244 879 I HN 0.865 nan 8.210 nan 0.000 0.420 880 E N 6.435 126.372 120.200 -0.438 0.000 2.376 880 E HA 0.199 4.563 4.350 0.023 0.000 0.266 880 E C -0.791 175.657 176.600 -0.254 0.000 1.009 880 E CA -0.294 55.851 56.400 -0.424 0.000 0.902 880 E CB 0.802 30.165 29.700 -0.561 0.000 0.972 880 E HN 0.423 nan 8.360 nan 0.000 0.439 881 I N 5.013 125.455 120.570 -0.213 0.000 2.452 881 I HA 0.007 4.191 4.170 0.023 0.000 0.287 881 I C -0.235 175.800 176.117 -0.136 0.000 1.079 881 I CA -0.519 60.601 61.300 -0.300 0.000 1.387 881 I CB 1.076 38.747 38.000 -0.548 0.000 1.404 881 I HN 0.362 nan 8.210 nan 0.000 0.522 882 V N 7.606 127.465 119.914 -0.092 0.000 2.408 882 V HA 0.117 4.251 4.120 0.023 0.000 0.267 882 V C 0.452 176.608 176.094 0.102 0.000 1.047 882 V CA -0.623 61.669 62.300 -0.014 0.000 0.937 882 V CB 0.727 32.493 31.823 -0.095 0.000 0.999 882 V HN 0.558 nan 8.190 nan 0.000 0.472 883 K N 3.313 123.777 120.400 0.107 0.000 2.355 883 K HA 0.146 4.480 4.320 0.023 0.000 0.270 883 K C 0.671 177.392 176.600 0.201 0.000 1.003 883 K CA 0.321 56.708 56.287 0.166 0.000 0.957 883 K CB -0.074 32.508 32.500 0.135 0.000 0.939 883 K HN 0.723 nan 8.250 nan 0.000 0.482 884 D N -0.784 119.755 120.400 0.231 0.000 2.945 884 D HA -0.218 4.436 4.640 0.023 0.000 0.225 884 D C -0.793 175.697 176.300 0.316 0.000 1.158 884 D CA 1.324 55.467 54.000 0.237 0.000 0.805 884 D CB -0.852 40.054 40.800 0.177 0.000 1.098 884 D HN 0.526 nan 8.370 nan 0.000 0.426 885 A N -0.140 122.883 122.820 0.338 0.000 2.356 885 A HA 0.799 5.133 4.320 0.023 0.000 0.323 885 A C 0.616 178.344 177.584 0.240 0.000 1.119 885 A CA 0.091 52.339 52.037 0.352 0.000 0.790 885 A CB 1.800 21.086 19.000 0.476 0.000 1.273 885 A HN 0.096 nan 8.150 nan 0.000 0.452 886 T N -1.265 113.343 114.554 0.089 0.000 2.724 886 T HA 0.788 5.152 4.350 0.023 0.000 0.274 886 T C 0.044 174.635 174.700 -0.182 0.000 0.984 886 T CA -0.114 61.961 62.100 -0.043 0.000 1.024 886 T CB 0.969 69.776 68.868 -0.102 0.000 1.320 886 T HN 1.042 nan 8.240 nan 0.000 0.555 887 T N -1.099 113.334 114.554 -0.200 0.000 2.902 887 T HA 0.533 4.897 4.350 0.023 0.000 0.283 887 T C 1.162 175.712 174.700 -0.250 0.000 1.009 887 T CA -0.813 61.151 62.100 -0.227 0.000 1.051 887 T CB 0.779 69.541 68.868 -0.177 0.000 0.999 887 T HN 0.382 nan 8.240 nan 0.000 0.474 888 I N 1.906 122.348 120.570 -0.214 0.000 2.248 888 I HA -0.172 4.011 4.170 0.023 0.000 0.248 888 I C 2.816 178.865 176.117 -0.113 0.000 1.107 888 I CA 1.969 63.183 61.300 -0.143 0.000 1.373 888 I CB -0.811 37.213 38.000 0.039 0.000 1.055 888 I HN 0.947 nan 8.210 nan 0.000 0.418 889 A N 0.105 122.849 122.820 -0.126 0.000 1.873 889 A HA -0.343 3.990 4.320 0.023 0.000 0.218 889 A C 2.421 179.925 177.584 -0.134 0.000 1.193 889 A CA 2.379 54.347 52.037 -0.116 0.000 0.629 889 A CB -0.726 18.192 19.000 -0.136 0.000 0.826 889 A HN 0.421 nan 8.150 nan 0.000 0.447 890 K N -0.351 119.958 120.400 -0.152 0.000 2.097 890 K HA -0.067 4.266 4.320 0.023 0.000 0.206 890 K C 1.700 178.202 176.600 -0.162 0.000 1.049 890 K CA 1.531 57.731 56.287 -0.145 0.000 0.933 890 K CB -0.329 32.094 32.500 -0.128 0.000 0.717 890 K HN 0.550 nan 8.250 nan 0.000 0.442 891 I N 1.007 121.435 120.570 -0.236 0.000 2.700 891 I HA -0.234 3.949 4.170 0.023 0.000 0.261 891 I C 2.007 178.041 176.117 -0.138 0.000 1.219 891 I CA 0.862 62.006 61.300 -0.261 0.000 1.463 891 I CB -0.143 37.573 38.000 -0.474 0.000 1.092 891 I HN 0.285 nan 8.210 nan 0.000 0.452 892 Q N -0.077 119.645 119.800 -0.128 0.000 2.373 892 Q HA -0.035 4.319 4.340 0.023 0.000 0.210 892 Q C 2.019 177.899 176.000 -0.200 0.000 0.913 892 Q CA 0.553 56.270 55.803 -0.143 0.000 0.911 892 Q CB 0.238 28.901 28.738 -0.126 0.000 1.040 892 Q HN 0.471 nan 8.270 nan 0.000 0.521 893 Q N 0.307 120.000 119.800 -0.178 0.000 2.119 893 Q HA -0.043 4.310 4.340 0.023 0.000 0.201 893 Q C 2.136 178.056 176.000 -0.134 0.000 0.972 893 Q CA 1.327 57.027 55.803 -0.172 0.000 0.847 893 Q CB 0.079 28.729 28.738 -0.146 0.000 0.903 893 Q HN 0.159 nan 8.270 nan 0.000 0.433 894 S N -0.230 115.409 115.700 -0.102 0.000 2.378 894 S HA -0.165 4.318 4.470 0.023 0.000 0.221 894 S C 1.904 176.460 174.600 -0.072 0.000 1.037 894 S CA 1.909 60.071 58.200 -0.063 0.000 1.069 894 S CB -0.649 62.542 63.200 -0.015 0.000 1.006 894 S HN 0.521 nan 8.310 nan 0.000 0.423 895 T N 0.788 115.296 114.554 -0.077 0.000 3.044 895 T HA 0.149 4.512 4.350 0.023 0.000 0.255 895 T C 1.716 176.346 174.700 -0.117 0.000 1.073 895 T CA 0.601 62.646 62.100 -0.091 0.000 1.125 895 T CB 0.013 68.824 68.868 -0.096 0.000 0.908 895 T HN 0.247 nan 8.240 nan 0.000 0.480 896 V N 0.213 120.041 119.914 -0.143 0.000 3.125 896 V HA 0.532 4.666 4.120 0.023 0.000 0.249 896 V C 1.453 177.429 176.094 -0.196 0.000 1.113 896 V CA 0.506 62.701 62.300 -0.175 0.000 1.106 896 V CB -0.713 30.981 31.823 -0.215 0.000 0.768 896 V HN 0.748 nan 8.190 nan 0.000 0.468 897 G N 0.699 109.381 108.800 -0.197 0.000 2.396 897 G HA2 -0.117 3.856 3.960 0.023 0.000 0.254 897 G HA3 -0.117 3.856 3.960 0.023 0.000 0.254 897 G C -0.683 174.066 174.900 -0.252 0.000 1.248 897 G CA 0.000 44.981 45.100 -0.198 0.000 1.033 897 G HN 0.315 nan 8.290 nan 0.000 0.502 898 N N 0.171 118.721 118.700 -0.250 0.000 2.751 898 N HA 0.441 5.195 4.740 0.023 0.000 0.234 898 N C -0.517 174.795 175.510 -0.330 0.000 1.403 898 N CA 0.303 53.169 53.050 -0.307 0.000 0.747 898 N CB 0.643 38.983 38.487 -0.244 0.000 1.326 898 N HN 0.650 nan 8.380 nan 0.000 0.532 899 T N -0.194 114.132 114.554 -0.379 0.000 3.884 899 T HA 0.272 4.636 4.350 0.023 0.000 0.284 899 T C 0.797 175.253 174.700 -0.408 0.000 0.961 899 T CA 0.221 62.098 62.100 -0.372 0.000 1.071 899 T CB 0.491 69.234 68.868 -0.208 0.000 1.121 899 T HN 0.508 nan 8.240 nan 0.000 0.496 900 G N 1.595 110.037 108.800 -0.597 0.000 2.160 900 G HA2 -0.079 3.894 3.960 0.023 0.000 0.251 900 G HA3 -0.079 3.894 3.960 0.023 0.000 0.251 900 G C 0.362 174.937 174.900 -0.541 0.000 1.008 900 G CA -0.074 44.754 45.100 -0.452 0.000 0.724 900 G HN 1.066 nan 8.290 nan 0.000 0.514 901 A N -0.757 121.700 122.820 -0.604 0.000 2.386 901 A HA 0.767 5.100 4.320 0.023 0.000 0.248 901 A C -0.245 176.793 177.584 -0.911 0.000 1.082 901 A CA 0.280 51.990 52.037 -0.544 0.000 0.789 901 A CB 0.449 19.224 19.000 -0.375 0.000 1.025 901 A HN 0.866 nan 8.150 nan 0.000 0.490 902 F N 0.245 119.938 119.950 -0.429 0.000 2.574 902 F HA 0.534 5.075 4.527 0.023 0.000 0.313 902 F C 0.143 175.644 175.800 -0.497 0.000 1.130 902 F CA -0.406 57.198 58.000 -0.660 0.000 0.936 902 F CB 2.546 40.737 39.000 -1.348 0.000 1.219 902 F HN 0.621 nan 8.300 nan 0.000 0.445 903 K N 1.018 121.328 120.400 -0.150 0.000 2.443 903 K HA 0.433 4.767 4.320 0.023 0.000 0.251 903 K C -0.730 175.914 176.600 0.073 0.000 0.972 903 K CA -0.598 55.657 56.287 -0.052 0.000 0.833 903 K CB 1.734 34.185 32.500 -0.081 0.000 1.317 903 K HN 0.473 nan 8.250 nan 0.000 0.441 904 D N 0.904 121.352 120.400 0.080 0.000 2.423 904 D HA -0.008 4.645 4.640 0.023 0.000 0.208 904 D C 0.429 176.781 176.300 0.085 0.000 1.068 904 D CA 0.620 54.715 54.000 0.159 0.000 0.860 904 D CB 0.606 41.469 40.800 0.106 0.000 0.992 904 D HN 0.488 nan 8.370 nan 0.000 0.504 905 E N 0.493 120.678 120.200 -0.025 0.000 2.318 905 E HA -0.004 4.360 4.350 0.023 0.000 0.193 905 E C 2.096 178.893 176.600 0.329 0.000 0.998 905 E CA 0.160 56.646 56.400 0.144 0.000 0.859 905 E CB -0.237 29.486 29.700 0.039 0.000 0.812 905 E HN -0.009 nan 8.360 nan 0.000 0.492 906 V N 1.495 121.525 119.914 0.192 0.000 2.370 906 V HA -0.306 3.828 4.120 0.023 0.000 0.252 906 V C 2.240 178.478 176.094 0.241 0.000 1.068 906 V CA 1.596 64.004 62.300 0.180 0.000 1.061 906 V CB -0.633 31.231 31.823 0.068 0.000 0.656 906 V HN 0.291 nan 8.190 nan 0.000 0.455 907 L N 0.009 121.346 121.223 0.190 0.000 2.012 907 L HA -0.252 4.101 4.340 0.023 0.000 0.210 907 L C 2.578 179.567 176.870 0.198 0.000 1.073 907 L CA 2.207 57.121 54.840 0.124 0.000 0.748 907 L CB -0.634 41.404 42.059 -0.035 0.000 0.891 907 L HN 0.487 nan 8.230 nan 0.000 0.431 908 N N -1.224 117.591 118.700 0.192 0.000 2.166 908 N HA -0.234 4.520 4.740 0.023 0.000 0.186 908 N C 1.804 177.414 175.510 0.167 0.000 1.019 908 N CA 1.188 54.340 53.050 0.171 0.000 0.856 908 N CB 0.039 38.593 38.487 0.113 0.000 0.993 908 N HN 0.382 nan 8.380 nan 0.000 0.426 909 H N -1.119 118.046 119.070 0.160 0.000 2.293 909 H HA -0.154 4.415 4.556 0.023 0.000 0.300 909 H C 1.594 176.996 175.328 0.122 0.000 1.082 909 H CA 2.270 58.381 56.048 0.105 0.000 1.308 909 H CB -0.267 29.562 29.762 0.112 0.000 1.375 909 H HN 0.376 nan 8.280 nan 0.000 0.495 910 W N 0.776 122.165 121.300 0.148 0.000 2.338 910 W HA -0.186 4.487 4.660 0.023 0.000 0.304 910 W C 1.731 178.292 176.519 0.069 0.000 1.212 910 W CA 1.464 58.860 57.345 0.084 0.000 1.264 910 W CB -0.392 29.106 29.460 0.063 0.000 1.142 910 W HN 0.140 nan 8.180 nan 0.000 0.512 911 L N 0.530 121.933 121.223 0.300 0.000 2.027 911 L HA -0.208 4.146 4.340 0.023 0.000 0.206 911 L C 2.573 179.487 176.870 0.073 0.000 1.074 911 L CA 1.628 56.578 54.840 0.183 0.000 0.745 911 L CB -0.998 41.262 42.059 0.335 0.000 0.898 911 L HN -0.129 nan 8.230 nan 0.000 0.433 912 K N 1.220 121.611 120.400 -0.016 0.000 2.044 912 K HA -0.256 4.078 4.320 0.023 0.000 0.210 912 K C 1.873 178.353 176.600 -0.200 0.000 1.049 912 K CA 2.201 58.313 56.287 -0.293 0.000 0.927 912 K CB -0.268 31.926 32.500 -0.511 0.000 0.713 912 K HN 0.532 nan 8.250 nan 0.000 0.443 913 E N -0.508 119.586 120.200 -0.176 0.000 2.338 913 E HA -0.116 4.248 4.350 0.023 0.000 0.197 913 E C 0.874 177.328 176.600 -0.243 0.000 1.007 913 E CA 0.957 57.249 56.400 -0.180 0.000 0.849 913 E CB 0.071 29.695 29.700 -0.127 0.000 0.774 913 E HN 0.058 nan 8.360 nan 0.000 0.506 914 K N 0.615 120.814 120.400 -0.335 0.000 2.372 914 K HA 0.224 4.558 4.320 0.023 0.000 0.200 914 K C -0.330 176.165 176.600 -0.175 0.000 1.022 914 K CA -0.012 56.070 56.287 -0.342 0.000 1.125 914 K CB 1.206 33.320 32.500 -0.644 0.000 0.855 914 K HN -0.038 nan 8.250 nan 0.000 0.524 915 S N 2.364 118.001 115.700 -0.104 0.000 2.438 915 S HA 0.243 4.726 4.470 0.023 0.000 0.316 915 S C -1.901 172.677 174.600 -0.036 0.000 1.084 915 S CA -1.134 57.051 58.200 -0.024 0.000 1.107 915 S CB 1.781 65.029 63.200 0.080 0.000 0.981 915 S HN -0.043 nan 8.310 nan 0.000 0.466 916 P HA -0.040 nan 4.420 nan 0.000 0.216 916 P C 0.458 177.748 177.300 -0.017 0.000 1.150 916 P CA 1.055 64.141 63.100 -0.025 0.000 0.837 916 P CB 0.011 31.702 31.700 -0.016 0.000 0.786 917 T N -3.895 110.660 114.554 0.002 0.000 2.876 917 T HA 0.284 4.648 4.350 0.023 0.000 0.289 917 T C 0.578 175.302 174.700 0.040 0.000 1.014 917 T CA -0.813 61.293 62.100 0.009 0.000 0.986 917 T CB 1.998 70.875 68.868 0.015 0.000 1.021 917 T HN -0.188 nan 8.240 nan 0.000 0.458 918 E N 0.514 120.730 120.200 0.027 0.000 2.501 918 E HA -0.166 4.198 4.350 0.023 0.000 0.203 918 E C 1.155 177.873 176.600 0.196 0.000 1.072 918 E CA 0.727 57.170 56.400 0.072 0.000 0.885 918 E CB 0.193 29.891 29.700 -0.003 0.000 0.813 918 E HN 0.787 nan 8.360 nan 0.000 0.556 919 E N 0.108 120.380 120.200 0.121 0.000 2.079 919 E HA -0.057 4.306 4.350 0.023 0.000 0.191 919 E C 1.689 178.338 176.600 0.081 0.000 0.961 919 E CA 0.245 56.703 56.400 0.096 0.000 0.823 919 E CB 0.217 29.949 29.700 0.054 0.000 0.789 919 E HN 0.113 nan 8.360 nan 0.000 0.459 920 K N 0.363 120.806 120.400 0.071 0.000 2.173 920 K HA -0.201 4.133 4.320 0.023 0.000 0.207 920 K C 1.980 178.622 176.600 0.070 0.000 1.046 920 K CA 1.582 57.900 56.287 0.051 0.000 0.929 920 K CB -0.377 32.148 32.500 0.043 0.000 0.720 920 K HN 0.099 nan 8.250 nan 0.000 0.453 921 F N 2.573 122.506 119.950 -0.028 0.000 2.065 921 F HA -0.304 4.237 4.527 0.023 0.000 0.298 921 F C 2.220 178.003 175.800 -0.028 0.000 1.112 921 F CA 1.628 59.607 58.000 -0.035 0.000 1.212 921 F CB -0.320 38.650 39.000 -0.050 0.000 0.975 921 F HN 0.012 nan 8.300 nan 0.000 0.476 922 Q N 0.873 120.533 119.800 -0.233 0.000 2.062 922 Q HA -0.269 4.085 4.340 0.023 0.000 0.209 922 Q C 2.529 178.375 176.000 -0.255 0.000 0.996 922 Q CA 1.965 57.587 55.803 -0.302 0.000 0.859 922 Q CB -1.482 27.223 28.738 -0.054 0.000 0.920 922 Q HN 0.589 nan 8.270 nan 0.000 0.415 923 A N 1.133 123.875 122.820 -0.130 0.000 1.978 923 A HA -0.100 4.233 4.320 0.023 0.000 0.220 923 A C 2.343 179.868 177.584 -0.100 0.000 1.170 923 A CA 1.968 53.950 52.037 -0.092 0.000 0.636 923 A CB -0.598 18.375 19.000 -0.045 0.000 0.810 923 A HN 0.414 nan 8.150 nan 0.000 0.448 924 A N -0.675 122.067 122.820 -0.131 0.000 1.929 924 A HA 0.090 4.423 4.320 0.023 0.000 0.216 924 A C 2.159 179.675 177.584 -0.113 0.000 1.176 924 A CA 1.520 53.511 52.037 -0.076 0.000 0.628 924 A CB -0.719 18.265 19.000 -0.026 0.000 0.816 924 A HN 0.392 nan 8.150 nan 0.000 0.444 925 V N 0.041 119.744 119.914 -0.351 0.000 2.427 925 V HA -0.217 3.917 4.120 0.023 0.000 0.248 925 V C 2.514 178.519 176.094 -0.148 0.000 1.051 925 V CA 2.327 64.419 62.300 -0.346 0.000 1.048 925 V CB -0.666 30.774 31.823 -0.639 0.000 0.666 925 V HN 0.714 nan 8.190 nan 0.000 0.456 926 E N 0.585 120.701 120.200 -0.138 0.000 2.072 926 E HA -0.191 4.172 4.350 0.023 0.000 0.190 926 E C 2.275 178.887 176.600 0.021 0.000 0.982 926 E CA 1.140 57.521 56.400 -0.032 0.000 0.803 926 E CB -0.214 29.447 29.700 -0.064 0.000 0.755 926 E HN 0.409 nan 8.360 nan 0.000 0.453 927 R N -0.776 119.726 120.500 0.003 0.000 2.096 927 R HA -0.154 4.200 4.340 0.023 0.000 0.240 927 R C 2.151 178.553 176.300 0.170 0.000 1.139 927 R CA 1.822 57.957 56.100 0.058 0.000 0.952 927 R CB -0.708 29.636 30.300 0.073 0.000 0.854 927 R HN 0.306 nan 8.270 nan 0.000 0.436 928 F N -0.013 119.962 119.950 0.041 0.000 2.095 928 F HA -0.220 4.321 4.527 0.023 0.000 0.298 928 F C 1.929 177.814 175.800 0.142 0.000 1.104 928 F CA 1.658 59.697 58.000 0.066 0.000 1.232 928 F CB -0.295 38.692 39.000 -0.022 0.000 0.987 928 F HN -0.165 nan 8.300 nan 0.000 0.475 929 V N -0.730 119.401 119.914 0.362 0.000 2.332 929 V HA -0.332 3.801 4.120 0.023 0.000 0.248 929 V C 2.037 178.311 176.094 0.300 0.000 1.055 929 V CA 2.023 64.540 62.300 0.362 0.000 1.038 929 V CB -1.073 30.976 31.823 0.377 0.000 0.651 929 V HN 0.359 nan 8.190 nan 0.000 0.450 930 Y N 1.305 121.651 120.300 0.075 0.000 2.184 930 Y HA -0.185 4.379 4.550 0.023 0.000 0.290 930 Y C 2.959 178.857 175.900 -0.004 0.000 1.129 930 Y CA 1.566 59.667 58.100 0.001 0.000 1.144 930 Y CB -0.726 37.711 38.460 -0.039 0.000 0.995 930 Y HN 0.401 nan 8.280 nan 0.000 0.513 931 S N -1.559 114.254 115.700 0.188 0.000 2.368 931 S HA -0.236 4.247 4.470 0.023 0.000 0.224 931 S C 2.261 176.995 174.600 0.223 0.000 1.029 931 S CA 1.022 59.342 58.200 0.200 0.000 0.988 931 S CB -1.370 61.966 63.200 0.226 0.000 0.838 931 S HN 0.550 nan 8.310 nan 0.000 0.462 932 C N 2.301 121.603 119.300 0.003 0.000 2.393 932 C HA -0.043 4.430 4.460 0.023 0.000 0.276 932 C C 3.237 178.413 174.990 0.311 0.000 1.215 932 C CA 1.289 60.358 59.018 0.085 0.000 1.743 932 C CB -1.800 25.855 27.740 -0.142 0.000 2.044 932 C HN 0.723 nan 8.230 nan 0.000 0.464 933 A N 0.216 123.221 122.820 0.308 0.000 1.865 933 A HA 0.017 4.351 4.320 0.023 0.000 0.217 933 A C 2.484 180.046 177.584 -0.036 0.000 1.191 933 A CA 2.478 54.612 52.037 0.163 0.000 0.623 933 A CB -1.656 17.267 19.000 -0.128 0.000 0.826 933 A HN 0.739 nan 8.150 nan 0.000 0.444 934 G N -1.432 107.306 108.800 -0.103 0.000 2.553 934 G HA2 -0.317 3.657 3.960 0.023 0.000 0.218 934 G HA3 -0.317 3.657 3.960 0.023 0.000 0.218 934 G C 1.488 176.381 174.900 -0.011 0.000 1.195 934 G CA 1.452 46.459 45.100 -0.155 0.000 0.779 934 G HN 0.595 nan 8.290 nan 0.000 0.577 935 Y N 0.258 120.627 120.300 0.115 0.000 2.293 935 Y HA -0.100 4.464 4.550 0.023 0.000 0.291 935 Y C 3.191 179.096 175.900 0.008 0.000 1.137 935 Y CA 0.758 58.896 58.100 0.063 0.000 1.202 935 Y CB -0.429 38.070 38.460 0.066 0.000 0.990 935 Y HN 0.245 nan 8.280 nan 0.000 0.537 936 C N -1.061 118.330 119.300 0.153 0.000 2.413 936 C HA -0.162 4.312 4.460 0.023 0.000 0.277 936 C C 2.643 177.535 174.990 -0.163 0.000 1.265 936 C CA 0.909 59.828 59.018 -0.164 0.000 1.752 936 C CB -1.238 26.305 27.740 -0.329 0.000 1.998 936 C HN 0.354 nan 8.230 nan 0.000 0.489 937 V N 1.255 121.172 119.914 0.005 0.000 2.302 937 V HA -0.073 4.060 4.120 0.023 0.000 0.243 937 V C 2.778 179.010 176.094 0.231 0.000 1.036 937 V CA 1.978 64.341 62.300 0.105 0.000 1.020 937 V CB -1.467 30.386 31.823 0.049 0.000 0.657 937 V HN 0.534 nan 8.190 nan 0.000 0.453 938 A N -0.400 122.546 122.820 0.210 0.000 1.873 938 A HA -0.312 4.021 4.320 0.023 0.000 0.218 938 A C 2.428 180.097 177.584 0.141 0.000 1.193 938 A CA 2.894 55.007 52.037 0.127 0.000 0.629 938 A CB -1.233 17.791 19.000 0.040 0.000 0.826 938 A HN 0.451 nan 8.150 nan 0.000 0.447 939 T N -1.695 112.954 114.554 0.158 0.000 2.746 939 T HA -0.135 4.229 4.350 0.023 0.000 0.267 939 T C 1.554 176.419 174.700 0.276 0.000 1.039 939 T CA 1.698 63.909 62.100 0.185 0.000 1.142 939 T CB -0.377 68.564 68.868 0.122 0.000 0.866 939 T HN 0.447 nan 8.240 nan 0.000 0.444 940 F N 1.197 121.263 119.950 0.195 0.000 2.146 940 F HA -0.039 4.501 4.527 0.022 0.000 0.298 940 F C 2.185 178.165 175.800 0.301 0.000 1.096 940 F CA 0.806 58.969 58.000 0.272 0.000 1.275 940 F CB -0.503 38.657 39.000 0.266 0.000 1.008 940 F HN -0.058 nan 8.300 nan 0.000 0.480 941 V N 0.692 120.762 119.914 0.260 0.000 2.407 941 V HA -0.282 3.852 4.120 0.023 0.000 0.248 941 V C 2.177 178.308 176.094 0.063 0.000 1.055 941 V CA 1.908 64.289 62.300 0.135 0.000 1.049 941 V CB -0.666 31.248 31.823 0.152 0.000 0.662 941 V HN 0.347 nan 8.190 nan 0.000 0.455 942 L N 0.140 121.425 121.223 0.104 0.000 2.592 942 L HA 0.344 4.698 4.340 0.023 0.000 0.227 942 L C 1.662 178.571 176.870 0.064 0.000 1.127 942 L CA 0.696 55.620 54.840 0.141 0.000 0.884 942 L CB -0.499 41.646 42.059 0.144 0.000 1.065 942 L HN 0.500 nan 8.230 nan 0.000 0.457 943 G N 2.106 110.893 108.800 -0.021 0.000 2.249 943 G HA2 -0.299 3.675 3.960 0.023 0.000 0.273 943 G HA3 -0.299 3.675 3.960 0.023 0.000 0.273 943 G C 0.498 175.330 174.900 -0.115 0.000 1.036 943 G CA 0.701 45.617 45.100 -0.305 0.000 0.824 943 G HN 0.626 nan 8.290 nan 0.000 0.504 944 I N -3.633 116.978 120.570 0.068 0.000 3.399 944 I HA 0.630 4.814 4.170 0.023 0.000 0.345 944 I C 1.239 177.517 176.117 0.268 0.000 1.512 944 I CA -0.095 61.300 61.300 0.157 0.000 1.047 944 I CB 0.477 38.608 38.000 0.218 0.000 1.552 944 I HN 0.013 nan 8.210 nan 0.000 0.494 945 G N -0.062 108.890 108.800 0.254 0.000 3.020 945 G HA2 -0.017 3.956 3.960 0.023 0.000 0.217 945 G HA3 -0.017 3.956 3.960 0.023 0.000 0.217 945 G C 0.356 175.440 174.900 0.306 0.000 1.144 945 G CA -0.027 45.289 45.100 0.359 0.000 0.760 945 G HN 0.341 nan 8.290 nan 0.000 0.548 946 D N 1.456 121.981 120.400 0.208 0.000 2.713 946 D HA 0.163 4.817 4.640 0.023 0.000 0.229 946 D C 0.080 176.469 176.300 0.150 0.000 1.136 946 D CA -0.065 54.022 54.000 0.145 0.000 1.010 946 D CB 0.054 40.913 40.800 0.098 0.000 1.084 946 D HN 0.034 nan 8.370 nan 0.000 0.495 947 R N 1.007 121.604 120.500 0.163 0.000 2.664 947 R HA 0.258 4.612 4.340 0.023 0.000 0.286 947 R C -0.005 176.361 176.300 0.111 0.000 0.967 947 R CA -0.925 55.253 56.100 0.130 0.000 0.933 947 R CB 1.017 31.362 30.300 0.074 0.000 1.146 947 R HN 0.351 nan 8.270 nan 0.000 0.468 948 H N 1.255 120.345 119.070 0.032 0.000 2.707 948 H HA 0.077 4.646 4.556 0.023 0.000 0.359 948 H C 0.910 176.221 175.328 -0.027 0.000 1.113 948 H CA 0.320 56.384 56.048 0.025 0.000 1.422 948 H CB 0.718 30.480 29.762 0.001 0.000 1.443 948 H HN 0.368 nan 8.280 nan 0.000 0.591 949 N N 2.405 120.767 118.700 -0.564 0.000 2.348 949 N HA -0.171 4.582 4.740 0.023 0.000 0.185 949 N C 0.923 176.206 175.510 -0.380 0.000 1.019 949 N CA 1.331 54.156 53.050 -0.375 0.000 0.880 949 N CB -0.145 38.240 38.487 -0.169 0.000 0.965 949 N HN 0.739 nan 8.380 nan 0.000 0.437 950 D N -0.534 119.551 120.400 -0.525 0.000 2.347 950 D HA 0.044 4.698 4.640 0.023 0.000 0.215 950 D C 0.422 176.624 176.300 -0.162 0.000 0.976 950 D CA 0.651 54.517 54.000 -0.224 0.000 0.884 950 D CB -0.038 40.733 40.800 -0.049 0.000 0.915 950 D HN 0.276 nan 8.370 nan 0.000 0.526 951 N N -0.824 117.773 118.700 -0.172 0.000 2.235 951 N HA 0.240 4.994 4.740 0.023 0.000 0.209 951 N C -0.670 174.647 175.510 -0.322 0.000 1.122 951 N CA -0.077 52.857 53.050 -0.194 0.000 0.845 951 N CB 0.969 39.383 38.487 -0.121 0.000 1.004 951 N HN 0.154 nan 8.380 nan 0.000 0.499 952 I N 0.879 121.252 120.570 -0.328 0.000 2.498 952 I HA 0.377 4.561 4.170 0.023 0.000 0.290 952 I C -0.566 175.324 176.117 -0.379 0.000 1.032 952 I CA -0.552 60.519 61.300 -0.382 0.000 1.073 952 I CB 1.837 39.677 38.000 -0.267 0.000 1.251 952 I HN -0.168 nan 8.210 nan 0.000 0.426 953 M N 6.058 125.288 119.600 -0.616 0.000 2.662 953 M HA 0.614 5.108 4.480 0.023 0.000 0.310 953 M C -1.022 174.925 176.300 -0.589 0.000 1.204 953 M CA -0.793 54.068 55.300 -0.732 0.000 0.891 953 M CB 3.278 35.177 32.600 -1.168 0.000 1.732 953 M HN 0.474 nan 8.290 nan 0.000 0.467 954 I N 0.703 121.100 120.570 -0.289 0.000 2.647 954 I HA 0.422 4.605 4.170 0.023 0.000 0.295 954 I C -0.047 176.226 176.117 0.261 0.000 1.078 954 I CA -0.366 60.948 61.300 0.024 0.000 1.048 954 I CB 2.441 40.452 38.000 0.019 0.000 1.239 954 I HN 0.844 nan 8.210 nan 0.000 0.421 955 T N 1.447 116.260 114.554 0.431 0.000 2.828 955 T HA 0.246 4.610 4.350 0.023 0.000 0.290 955 T C 0.796 175.794 174.700 0.497 0.000 1.019 955 T CA -0.195 62.164 62.100 0.432 0.000 1.031 955 T CB 1.207 70.271 68.868 0.327 0.000 1.001 955 T HN 0.725 nan 8.240 nan 0.000 0.531 956 E N -0.188 120.249 120.200 0.395 0.000 2.268 956 E HA -0.062 4.301 4.350 0.023 0.000 0.195 956 E C 1.464 178.140 176.600 0.127 0.000 0.995 956 E CA 0.868 57.377 56.400 0.182 0.000 0.836 956 E CB -0.037 29.668 29.700 0.009 0.000 0.763 956 E HN 0.743 nan 8.360 nan 0.000 0.491 957 T N -1.129 113.525 114.554 0.167 0.000 3.273 957 T HA 0.240 4.603 4.350 0.023 0.000 0.254 957 T C 0.968 175.766 174.700 0.162 0.000 1.002 957 T CA 0.626 62.801 62.100 0.125 0.000 0.913 957 T CB -0.261 68.660 68.868 0.089 0.000 1.056 957 T HN 0.356 nan 8.240 nan 0.000 0.576 958 G N 1.847 110.797 108.800 0.251 0.000 2.184 958 G HA2 -0.245 3.729 3.960 0.023 0.000 0.264 958 G HA3 -0.245 3.729 3.960 0.023 0.000 0.264 958 G C 0.146 175.225 174.900 0.299 0.000 0.975 958 G CA -0.010 45.264 45.100 0.291 0.000 0.642 958 G HN 0.592 nan 8.290 nan 0.000 0.536 959 N N 0.513 119.379 118.700 0.276 0.000 2.401 959 N HA 0.409 5.163 4.740 0.023 0.000 0.255 959 N C 0.235 175.970 175.510 0.374 0.000 1.110 959 N CA -0.216 53.005 53.050 0.285 0.000 0.949 959 N CB 0.740 39.374 38.487 0.245 0.000 1.110 959 N HN 0.416 nan 8.380 nan 0.000 0.490 960 L N 4.932 126.313 121.223 0.263 0.000 2.395 960 L HA 0.545 4.898 4.340 0.023 0.000 0.269 960 L C -0.784 176.281 176.870 0.324 0.000 1.133 960 L CA -0.181 54.757 54.840 0.163 0.000 0.812 960 L CB 0.238 42.257 42.059 -0.066 0.000 1.125 960 L HN 0.475 nan 8.230 nan 0.000 0.452 961 F N 0.893 120.762 119.950 -0.135 0.000 2.654 961 F HA 0.414 4.955 4.527 0.022 0.000 0.314 961 F C -0.715 174.890 175.800 -0.325 0.000 1.116 961 F CA -0.992 56.730 58.000 -0.464 0.000 1.017 961 F CB 0.512 39.539 39.000 0.045 0.000 1.285 961 F HN 0.425 nan 8.300 nan 0.000 0.448 962 H N 3.581 122.287 119.070 -0.608 0.000 2.707 962 H HA 0.631 5.201 4.556 0.023 0.000 0.359 962 H C 0.013 175.311 175.328 -0.051 0.000 1.113 962 H CA 0.478 56.420 56.048 -0.176 0.000 1.422 962 H CB 1.803 31.658 29.762 0.156 0.000 1.443 962 H HN 0.793 nan 8.280 nan 0.000 0.591 963 I N -2.065 118.352 120.570 -0.256 0.000 3.516 963 I HA 0.290 4.473 4.170 0.023 0.000 0.302 963 I C -0.641 175.059 176.117 -0.696 0.000 1.143 963 I CA -1.132 59.951 61.300 -0.361 0.000 1.003 963 I CB 1.607 39.504 38.000 -0.171 0.000 1.347 963 I HN 0.367 nan 8.210 nan 0.000 0.486 964 D N 1.382 121.548 120.400 -0.391 0.000 2.904 964 D HA -0.214 4.440 4.640 0.023 0.000 0.231 964 D C -0.436 175.751 176.300 -0.189 0.000 1.185 964 D CA 0.988 54.871 54.000 -0.196 0.000 0.783 964 D CB -1.002 39.740 40.800 -0.097 0.000 0.961 964 D HN 0.504 nan 8.370 nan 0.000 0.409 965 F N -0.094 119.973 119.950 0.194 0.000 2.869 965 F HA 0.226 4.767 4.527 0.023 0.000 0.298 965 F C 2.231 178.127 175.800 0.159 0.000 1.235 965 F CA -0.063 58.043 58.000 0.177 0.000 1.402 965 F CB -0.069 39.032 39.000 0.168 0.000 1.142 965 F HN 0.255 nan 8.300 nan 0.000 0.529 966 G N -0.247 108.685 108.800 0.219 0.000 2.672 966 G HA2 -0.235 3.738 3.960 0.023 0.000 0.218 966 G HA3 -0.235 3.738 3.960 0.023 0.000 0.218 966 G C 0.200 175.256 174.900 0.260 0.000 1.238 966 G CA 1.414 46.624 45.100 0.184 0.000 0.791 966 G HN 0.466 nan 8.290 nan 0.000 0.606 982 R N 0.366 120.881 120.500 0.025 0.000 2.782 982 R HA 0.795 5.149 4.340 0.023 0.000 0.258 982 R C -0.294 176.012 176.300 0.010 0.000 1.055 982 R CA -1.161 54.956 56.100 0.029 0.000 1.065 982 R CB 1.530 31.857 30.300 0.044 0.000 1.172 982 R HN 0.277 nan 8.270 nan 0.000 0.510 983 V N 1.979 121.901 119.914 0.013 0.000 2.817 983 V HA 0.235 4.369 4.120 0.023 0.000 0.303 983 V C -1.844 174.258 176.094 0.013 0.000 1.151 983 V CA -1.867 60.408 62.300 -0.041 0.000 0.929 983 V CB 2.539 34.304 31.823 -0.097 0.000 1.030 983 V HN 0.562 nan 8.190 nan 0.000 0.427 984 P HA -0.066 nan 4.420 nan 0.000 0.213 984 P C 0.286 177.825 177.300 0.398 0.000 1.170 984 P CA 1.702 64.965 63.100 0.273 0.000 0.902 984 P CB 0.013 31.785 31.700 0.120 0.000 0.789 985 F N -3.524 116.497 119.950 0.119 0.000 2.894 985 F HA 0.646 5.187 4.527 0.022 0.000 0.332 985 F C -0.883 174.941 175.800 0.040 0.000 1.192 985 F CA -1.640 56.440 58.000 0.134 0.000 0.980 985 F CB 0.532 39.634 39.000 0.170 0.000 1.448 985 F HN -0.471 nan 8.300 nan 0.000 0.514 986 V N 2.414 122.493 119.914 0.276 0.000 2.288 986 V HA 0.373 4.507 4.120 0.023 0.000 0.266 986 V C -0.855 175.130 176.094 -0.181 0.000 1.048 986 V CA -0.188 62.080 62.300 -0.054 0.000 0.842 986 V CB 0.666 32.439 31.823 -0.083 0.000 1.064 986 V HN 0.592 nan 8.190 nan 0.000 0.472 987 L N 6.520 127.560 121.223 -0.306 0.000 2.556 987 L HA 0.463 4.817 4.340 0.023 0.000 0.243 987 L C 0.810 177.427 176.870 -0.422 0.000 1.331 987 L CA 0.115 54.785 54.840 -0.283 0.000 0.927 987 L CB 0.899 42.944 42.059 -0.023 0.000 1.219 987 L HN 0.710 nan 8.230 nan 0.000 0.490 988 T N -0.121 114.055 114.554 -0.629 0.000 2.802 988 T HA 0.270 4.634 4.350 0.023 0.000 0.305 988 T C -1.768 172.655 174.700 -0.461 0.000 1.053 988 T CA -1.174 60.526 62.100 -0.667 0.000 1.058 988 T CB 0.378 68.821 68.868 -0.709 0.000 0.988 988 T HN 0.230 nan 8.240 nan 0.000 0.539 989 P HA -0.120 nan 4.420 nan 0.000 0.218 989 P C 1.440 178.767 177.300 0.044 0.000 1.148 989 P CA 1.100 64.005 63.100 -0.325 0.000 0.822 989 P CB -0.041 31.407 31.700 -0.420 0.000 0.784 990 D N -1.043 119.493 120.400 0.226 0.000 2.178 990 D HA -0.177 4.477 4.640 0.023 0.000 0.202 990 D C 1.667 178.195 176.300 0.380 0.000 0.974 990 D CA 1.112 55.374 54.000 0.438 0.000 0.841 990 D CB -1.137 40.039 40.800 0.626 0.000 0.953 990 D HN 0.111 nan 8.370 nan 0.000 0.478 991 F N 1.106 121.123 119.950 0.112 0.000 2.146 991 F HA 0.053 4.594 4.527 0.023 0.000 0.298 991 F C 2.572 178.411 175.800 0.064 0.000 1.096 991 F CA 0.515 58.622 58.000 0.179 0.000 1.275 991 F CB -0.718 38.421 39.000 0.232 0.000 1.008 991 F HN -0.079 nan 8.300 nan 0.000 0.480 992 L N -1.756 119.581 121.223 0.189 0.000 2.083 992 L HA -0.226 4.128 4.340 0.023 0.000 0.209 992 L C 2.154 179.066 176.870 0.068 0.000 1.083 992 L CA 0.964 55.822 54.840 0.029 0.000 0.752 992 L CB -0.748 41.248 42.059 -0.106 0.000 0.899 992 L HN 0.043 nan 8.230 nan 0.000 0.433 993 F N -0.381 119.562 119.950 -0.013 0.000 2.805 993 F HA -0.036 4.505 4.527 0.023 0.000 0.301 993 F C 1.547 177.327 175.800 -0.033 0.000 1.196 993 F CA 0.525 58.522 58.000 -0.006 0.000 1.439 993 F CB -0.025 38.996 39.000 0.036 0.000 1.117 993 F HN -0.211 nan 8.300 nan 0.000 0.581 994 V N -0.701 119.115 119.914 -0.163 0.000 3.379 994 V HA -0.109 4.025 4.120 0.023 0.000 0.249 994 V C 2.118 178.083 176.094 -0.215 0.000 1.184 994 V CA 0.590 62.694 62.300 -0.328 0.000 1.106 994 V CB -0.100 31.326 31.823 -0.662 0.000 0.826 994 V HN 0.181 nan 8.190 nan 0.000 0.465 995 M N 0.501 120.062 119.600 -0.065 0.000 2.319 995 M HA 0.170 4.664 4.480 0.023 0.000 0.265 995 M C 1.807 178.146 176.300 0.064 0.000 1.068 995 M CA 1.575 56.921 55.300 0.077 0.000 1.118 995 M CB -0.577 32.098 32.600 0.125 0.000 1.395 995 M HN 0.594 nan 8.290 nan 0.000 0.435 996 G N 0.672 109.435 108.800 -0.061 0.000 2.168 996 G HA2 -0.163 3.811 3.960 0.023 0.000 0.197 996 G HA3 -0.163 3.811 3.960 0.023 0.000 0.197 996 G C 0.085 174.983 174.900 -0.004 0.000 0.997 996 G CA 0.155 45.212 45.100 -0.073 0.000 0.658 996 G HN 0.410 nan 8.290 nan 0.000 0.513 997 T N 0.744 115.291 114.554 -0.012 0.000 2.925 997 T HA 0.624 4.987 4.350 0.023 0.000 0.285 997 T C 0.361 175.087 174.700 0.043 0.000 1.021 997 T CA 0.165 62.242 62.100 -0.039 0.000 1.042 997 T CB 1.729 70.436 68.868 -0.269 0.000 1.037 997 T HN 0.279 nan 8.240 nan 0.000 0.481 998 S N 1.357 117.072 115.700 0.025 0.000 2.139 998 S HA 0.512 4.996 4.470 0.023 0.000 0.183 998 S C 1.380 175.969 174.600 -0.018 0.000 1.473 998 S CA -0.274 57.950 58.200 0.040 0.000 1.263 998 S CB 0.324 63.567 63.200 0.072 0.000 1.170 998 S HN 1.192 nan 8.310 nan 0.000 0.430 999 G N 2.335 111.094 108.800 -0.069 0.000 2.550 999 G HA2 -0.378 3.596 3.960 0.023 0.000 0.233 999 G HA3 -0.378 3.596 3.960 0.023 0.000 0.233 999 G C 0.984 175.838 174.900 -0.076 0.000 1.170 999 G CA 1.064 46.114 45.100 -0.083 0.000 0.693 999 G HN 0.504 nan 8.290 nan 0.000 0.512 1000 K N 0.201 120.573 120.400 -0.045 0.000 2.344 1000 K HA 0.369 4.702 4.320 0.023 0.000 0.200 1000 K C 1.391 177.989 176.600 -0.003 0.000 1.132 1000 K CA 0.531 56.807 56.287 -0.018 0.000 0.935 1000 K CB 0.089 32.590 32.500 0.001 0.000 1.089 1000 K HN 0.387 nan 8.250 nan 0.000 0.496 1001 K N 0.649 121.046 120.400 -0.004 0.000 2.229 1001 K HA 0.047 4.380 4.320 0.023 0.000 0.250 1001 K C -0.747 175.893 176.600 0.067 0.000 1.016 1001 K CA 0.827 57.133 56.287 0.031 0.000 0.866 1001 K CB 0.387 32.908 32.500 0.034 0.000 1.028 1001 K HN 0.028 nan 8.250 nan 0.000 0.514 1002 T N 1.287 115.923 114.554 0.137 0.000 3.176 1002 T HA 0.143 4.506 4.350 0.023 0.000 0.337 1002 T C -0.920 173.911 174.700 0.218 0.000 0.957 1002 T CA -0.902 61.366 62.100 0.281 0.000 1.092 1002 T CB 0.917 69.956 68.868 0.286 0.000 1.018 1002 T HN 0.580 nan 8.240 nan 0.000 0.473 1003 S N 2.440 118.282 115.700 0.237 0.000 2.646 1003 S HA 0.514 4.997 4.470 0.023 0.000 0.276 1003 S C -1.872 172.828 174.600 0.166 0.000 1.222 1003 S CA -1.551 56.749 58.200 0.167 0.000 1.014 1003 S CB 1.233 64.520 63.200 0.145 0.000 0.991 1003 S HN 0.160 nan 8.310 nan 0.000 0.533 1004 P HA -0.201 nan 4.420 nan 0.000 0.218 1004 P C 1.154 178.449 177.300 -0.008 0.000 1.152 1004 P CA 1.569 64.660 63.100 -0.015 0.000 0.857 1004 P CB -0.115 31.516 31.700 -0.115 0.000 0.787 1005 H N -3.215 115.933 119.070 0.131 0.000 2.470 1005 H HA 0.002 4.572 4.556 0.023 0.000 0.289 1005 H C 1.851 177.335 175.328 0.261 0.000 1.033 1005 H CA 0.800 56.945 56.048 0.162 0.000 1.331 1005 H CB -0.652 29.187 29.762 0.128 0.000 1.414 1005 H HN 0.140 nan 8.280 nan 0.000 0.545 1006 F N 2.163 122.251 119.950 0.230 0.000 2.118 1006 F HA -0.120 4.421 4.527 0.023 0.000 0.293 1006 F C 2.374 178.316 175.800 0.237 0.000 1.102 1006 F CA 1.077 59.218 58.000 0.236 0.000 1.247 1006 F CB -0.345 38.755 39.000 0.167 0.000 1.017 1006 F HN 0.024 nan 8.300 nan 0.000 0.475 1007 Q N 0.469 120.284 119.800 0.025 0.000 2.118 1007 Q HA -0.339 4.014 4.340 0.023 0.000 0.211 1007 Q C 2.289 178.223 176.000 -0.110 0.000 0.998 1007 Q CA 2.392 58.131 55.803 -0.107 0.000 0.872 1007 Q CB -0.589 28.144 28.738 -0.008 0.000 0.925 1007 Q HN 0.453 nan 8.270 nan 0.000 0.414 1008 K N 0.379 120.782 120.400 0.005 0.000 2.020 1008 K HA -0.224 4.110 4.320 0.023 0.000 0.212 1008 K C 1.989 178.571 176.600 -0.030 0.000 1.050 1008 K CA 1.721 58.017 56.287 0.015 0.000 0.929 1008 K CB -0.301 32.283 32.500 0.139 0.000 0.714 1008 K HN 0.189 nan 8.250 nan 0.000 0.443 1009 F N 1.935 121.844 119.950 -0.069 0.000 2.095 1009 F HA -0.244 4.297 4.527 0.023 0.000 0.298 1009 F C 2.172 177.869 175.800 -0.172 0.000 1.104 1009 F CA 1.759 59.717 58.000 -0.070 0.000 1.232 1009 F CB -0.284 38.788 39.000 0.119 0.000 0.987 1009 F HN 0.164 nan 8.300 nan 0.000 0.475 1010 Q N 0.003 119.527 119.800 -0.460 0.000 2.084 1010 Q HA -0.237 4.117 4.340 0.023 0.000 0.202 1010 Q C 2.086 177.859 176.000 -0.377 0.000 0.978 1010 Q CA 1.678 57.179 55.803 -0.503 0.000 0.844 1010 Q CB -0.479 27.999 28.738 -0.433 0.000 0.898 1010 Q HN 0.478 nan 8.270 nan 0.000 0.426 1011 D N 0.789 121.014 120.400 -0.293 0.000 2.106 1011 D HA -0.179 4.474 4.640 0.023 0.000 0.191 1011 D C 1.709 177.829 176.300 -0.300 0.000 0.997 1011 D CA 1.246 55.107 54.000 -0.233 0.000 0.834 1011 D CB -0.032 40.667 40.800 -0.169 0.000 0.956 1011 D HN 0.250 nan 8.370 nan 0.000 0.448 1012 I N 0.200 120.538 120.570 -0.388 0.000 2.394 1012 I HA -0.239 3.945 4.170 0.023 0.000 0.251 1012 I C 2.807 178.610 176.117 -0.524 0.000 1.136 1012 I CA 0.257 61.270 61.300 -0.478 0.000 1.425 1012 I CB -0.263 37.372 38.000 -0.608 0.000 1.079 1012 I HN 0.127 nan 8.210 nan 0.000 0.425 1013 C N 0.335 119.292 119.300 -0.572 0.000 2.496 1013 C HA -0.121 4.353 4.460 0.023 0.000 0.281 1013 C C 2.909 177.564 174.990 -0.559 0.000 1.250 1013 C CA 0.646 59.302 59.018 -0.603 0.000 1.717 1013 C CB -0.723 26.696 27.740 -0.534 0.000 2.082 1013 C HN 0.346 nan 8.230 nan 0.000 0.472 1014 V N 1.366 121.039 119.914 -0.402 0.000 2.313 1014 V HA -0.340 3.793 4.120 0.023 0.000 0.253 1014 V C 2.380 178.354 176.094 -0.199 0.000 1.070 1014 V CA 2.222 64.383 62.300 -0.231 0.000 1.057 1014 V CB -0.778 30.971 31.823 -0.124 0.000 0.653 1014 V HN 0.587 nan 8.190 nan 0.000 0.450 1015 K N -0.040 120.217 120.400 -0.238 0.000 2.057 1015 K HA -0.109 4.224 4.320 0.023 0.000 0.207 1015 K C 2.327 178.797 176.600 -0.217 0.000 1.049 1015 K CA 1.521 57.687 56.287 -0.203 0.000 0.931 1015 K CB -0.413 31.944 32.500 -0.239 0.000 0.714 1015 K HN 0.508 nan 8.250 nan 0.000 0.440 1016 A N 0.602 123.206 122.820 -0.359 0.000 1.897 1016 A HA -0.170 4.163 4.320 0.023 0.000 0.215 1016 A C 2.037 179.660 177.584 0.066 0.000 1.181 1016 A CA 1.082 52.881 52.037 -0.396 0.000 0.620 1016 A CB -0.696 17.819 19.000 -0.809 0.000 0.821 1016 A HN 0.358 nan 8.150 nan 0.000 0.443 1017 Y N 1.661 121.785 120.300 -0.294 0.000 2.036 1017 Y HA -0.204 4.359 4.550 0.023 0.000 0.273 1017 Y C 1.956 177.765 175.900 -0.151 0.000 1.135 1017 Y CA 2.072 59.992 58.100 -0.299 0.000 1.106 1017 Y CB -0.875 37.156 38.460 -0.714 0.000 0.976 1017 Y HN 0.274 nan 8.280 nan 0.000 0.483 1018 L N 0.067 121.027 121.223 -0.438 0.000 2.549 1018 L HA 0.176 4.530 4.340 0.023 0.000 0.229 1018 L C 2.152 178.741 176.870 -0.468 0.000 1.158 1018 L CA 1.582 56.084 54.840 -0.563 0.000 0.842 1018 L CB -1.682 40.142 42.059 -0.391 0.000 0.952 1018 L HN 0.196 nan 8.230 nan 0.000 0.452 1019 A N 0.626 123.385 122.820 -0.101 0.000 1.929 1019 A HA 0.041 4.374 4.320 0.023 0.000 0.216 1019 A C 2.271 179.941 177.584 0.144 0.000 1.176 1019 A CA 1.457 53.604 52.037 0.183 0.000 0.628 1019 A CB -0.656 18.549 19.000 0.342 0.000 0.816 1019 A HN 0.482 nan 8.150 nan 0.000 0.444 1020 L N -0.928 120.333 121.223 0.064 0.000 2.093 1020 L HA -0.156 4.198 4.340 0.023 0.000 0.208 1020 L C 2.704 179.525 176.870 -0.082 0.000 1.085 1020 L CA 1.216 56.046 54.840 -0.016 0.000 0.755 1020 L CB -0.511 41.538 42.059 -0.016 0.000 0.904 1020 L HN 0.368 nan 8.230 nan 0.000 0.435 1021 R N -0.686 119.647 120.500 -0.279 0.000 2.193 1021 R HA -0.138 4.216 4.340 0.023 0.000 0.229 1021 R C 1.902 178.035 176.300 -0.279 0.000 1.110 1021 R CA 1.017 56.916 56.100 -0.336 0.000 0.988 1021 R CB -0.447 29.542 30.300 -0.519 0.000 0.871 1021 R HN 0.517 nan 8.270 nan 0.000 0.458 1022 H N -1.162 117.855 119.070 -0.090 0.000 2.546 1022 H HA 0.021 4.590 4.556 0.022 0.000 0.277 1022 H C 0.823 175.972 175.328 -0.299 0.000 1.004 1022 H CA 0.642 56.599 56.048 -0.150 0.000 1.231 1022 H CB 0.209 29.905 29.762 -0.109 0.000 1.382 1022 H HN 0.248 nan 8.280 nan 0.000 0.580 1023 H N -0.895 118.175 119.070 -0.000 0.000 2.475 1023 H HA 0.128 4.698 4.556 0.023 0.000 0.276 1023 H C 1.190 176.494 175.328 -0.040 0.000 1.126 1023 H CA 0.043 56.079 56.048 -0.019 0.000 1.023 1023 H CB 0.729 30.471 29.762 -0.034 0.000 1.669 1023 H HN 0.270 nan 8.280 nan 0.000 0.573 1024 T N 1.306 115.857 114.554 -0.006 0.000 2.624 1024 T HA -0.190 4.174 4.350 0.023 0.000 0.268 1024 T C 1.907 176.605 174.700 -0.002 0.000 1.041 1024 T CA 1.735 63.819 62.100 -0.027 0.000 1.159 1024 T CB 0.089 68.918 68.868 -0.065 0.000 0.863 1024 T HN 0.423 nan 8.240 nan 0.000 0.434 1025 N N 1.003 119.704 118.700 0.002 0.000 2.069 1025 N HA -0.024 4.729 4.740 0.023 0.000 0.191 1025 N C 1.777 177.310 175.510 0.037 0.000 1.031 1025 N CA 0.713 53.774 53.050 0.018 0.000 0.852 1025 N CB -0.717 37.780 38.487 0.015 0.000 1.018 1025 N HN 0.274 nan 8.380 nan 0.000 0.423 1026 L N 0.466 121.718 121.223 0.049 0.000 2.012 1026 L HA -0.153 4.200 4.340 0.023 0.000 0.210 1026 L C 1.846 178.757 176.870 0.069 0.000 1.073 1026 L CA 1.368 56.244 54.840 0.060 0.000 0.748 1026 L CB -0.320 41.796 42.059 0.095 0.000 0.891 1026 L HN 0.215 nan 8.230 nan 0.000 0.431 1027 L N -0.687 120.570 121.223 0.057 0.000 2.093 1027 L HA -0.244 4.109 4.340 0.023 0.000 0.208 1027 L C 2.481 179.408 176.870 0.095 0.000 1.085 1027 L CA 1.031 55.904 54.840 0.056 0.000 0.755 1027 L CB -0.284 41.780 42.059 0.008 0.000 0.904 1027 L HN 0.269 nan 8.230 nan 0.000 0.435 1028 I N -0.487 120.124 120.570 0.069 0.000 2.142 1028 I HA -0.310 3.873 4.170 0.023 0.000 0.240 1028 I C 2.446 178.661 176.117 0.162 0.000 1.078 1028 I CA 1.157 62.516 61.300 0.099 0.000 1.343 1028 I CB -0.122 37.907 38.000 0.049 0.000 1.046 1028 I HN 0.172 nan 8.210 nan 0.000 0.405 1029 I N 0.634 121.271 120.570 0.111 0.000 2.226 1029 I HA -0.279 3.905 4.170 0.023 0.000 0.245 1029 I C 2.538 178.724 176.117 0.116 0.000 1.100 1029 I CA 1.744 63.104 61.300 0.099 0.000 1.374 1029 I CB -0.780 37.261 38.000 0.068 0.000 1.057 1029 I HN 0.251 nan 8.210 nan 0.000 0.413 1030 L N -0.472 120.827 121.223 0.127 0.000 2.012 1030 L HA -0.281 4.072 4.340 0.023 0.000 0.210 1030 L C 2.632 179.590 176.870 0.146 0.000 1.073 1030 L CA 1.575 56.492 54.840 0.129 0.000 0.748 1030 L CB -0.800 41.336 42.059 0.127 0.000 0.891 1030 L HN 0.151 nan 8.230 nan 0.000 0.431 1031 F N 0.241 120.208 119.950 0.029 0.000 2.171 1031 F HA -0.243 4.297 4.527 0.022 0.000 0.300 1031 F C 2.796 178.617 175.800 0.036 0.000 1.090 1031 F CA 1.616 59.633 58.000 0.029 0.000 1.293 1031 F CB -0.145 38.877 39.000 0.038 0.000 1.013 1031 F HN 0.062 nan 8.300 nan 0.000 0.486 1032 S N 0.205 115.972 115.700 0.112 0.000 2.377 1032 S HA -0.155 4.328 4.470 0.023 0.000 0.223 1032 S C 2.105 176.685 174.600 -0.033 0.000 1.030 1032 S CA 1.104 59.316 58.200 0.019 0.000 0.970 1032 S CB -0.391 62.873 63.200 0.107 0.000 0.830 1032 S HN 0.499 nan 8.310 nan 0.000 0.473 1033 M N 0.662 120.282 119.600 0.033 0.000 2.080 1033 M HA -0.098 4.395 4.480 0.023 0.000 0.260 1033 M C 2.496 178.825 176.300 0.048 0.000 1.068 1033 M CA 2.004 57.373 55.300 0.114 0.000 1.109 1033 M CB -0.479 32.221 32.600 0.167 0.000 1.342 1033 M HN 0.487 nan 8.290 nan 0.000 0.405 1034 M N 0.631 120.207 119.600 -0.039 0.000 2.073 1034 M HA -0.281 4.213 4.480 0.023 0.000 0.258 1034 M C 2.034 178.248 176.300 -0.143 0.000 1.070 1034 M CA 1.862 57.101 55.300 -0.102 0.000 1.103 1034 M CB -0.244 32.265 32.600 -0.151 0.000 1.321 1034 M HN 0.283 nan 8.290 nan 0.000 0.405 1035 L N -0.351 120.725 121.223 -0.246 0.000 2.042 1035 L HA -0.280 4.073 4.340 0.023 0.000 0.210 1035 L C 2.534 179.356 176.870 -0.081 0.000 1.076 1035 L CA 1.625 56.335 54.840 -0.216 0.000 0.749 1035 L CB -0.593 41.277 42.059 -0.315 0.000 0.893 1035 L HN 0.502 nan 8.230 nan 0.000 0.432 1036 M N -1.095 118.494 119.600 -0.019 0.000 2.288 1036 M HA -0.091 4.403 4.480 0.023 0.000 0.266 1036 M C 1.939 178.262 176.300 0.038 0.000 1.072 1036 M CA 1.813 57.146 55.300 0.056 0.000 1.132 1036 M CB -0.204 32.494 32.600 0.164 0.000 1.386 1036 M HN 0.360 nan 8.290 nan 0.000 0.432 1037 T N -4.353 110.202 114.554 0.002 0.000 3.054 1037 T HA 0.299 4.663 4.350 0.023 0.000 0.255 1037 T C 1.226 175.874 174.700 -0.086 0.000 1.035 1037 T CA 0.503 62.549 62.100 -0.090 0.000 0.941 1037 T CB 0.412 69.187 68.868 -0.156 0.000 1.026 1037 T HN 0.390 nan 8.240 nan 0.000 0.533 1038 G N 0.693 109.453 108.800 -0.066 0.000 3.738 1038 G HA2 0.368 4.342 3.960 0.023 0.000 0.241 1038 G HA3 0.368 4.342 3.960 0.023 0.000 0.241 1038 G C 0.195 175.062 174.900 -0.054 0.000 1.068 1038 G CA -0.405 44.657 45.100 -0.062 0.000 0.899 1038 G HN 0.229 nan 8.290 nan 0.000 0.519 1039 M N 0.602 120.173 119.600 -0.049 0.000 2.649 1039 M HA 0.415 4.909 4.480 0.023 0.000 0.294 1039 M C -1.355 174.916 176.300 -0.048 0.000 1.206 1039 M CA -2.487 52.793 55.300 -0.034 0.000 0.928 1039 M CB 0.425 33.032 32.600 0.012 0.000 1.571 1039 M HN -0.243 nan 8.290 nan 0.000 0.501 1040 P HA -0.185 nan 4.420 nan 0.000 0.205 1040 P C -0.220 177.071 177.300 -0.013 0.000 1.046 1040 P CA 1.558 64.632 63.100 -0.043 0.000 0.968 1040 P CB 0.094 31.792 31.700 -0.003 0.000 0.753 1041 Q N -0.778 119.036 119.800 0.023 0.000 2.364 1041 Q HA 0.490 4.844 4.340 0.023 0.000 0.257 1041 Q C -2.012 174.040 176.000 0.088 0.000 0.956 1041 Q CA -0.562 55.263 55.803 0.037 0.000 0.924 1041 Q CB 0.692 29.430 28.738 0.001 0.000 1.413 1041 Q HN 0.117 nan 8.270 nan 0.000 0.418 1042 L N 1.335 122.638 121.223 0.133 0.000 2.408 1042 L HA 0.798 5.152 4.340 0.023 0.000 0.268 1042 L C -0.497 176.488 176.870 0.192 0.000 0.986 1042 L CA -0.595 54.323 54.840 0.130 0.000 0.820 1042 L CB 0.666 42.752 42.059 0.045 0.000 1.303 1042 L HN 0.752 nan 8.230 nan 0.000 0.411 1043 T N -1.108 113.542 114.554 0.159 0.000 2.814 1043 T HA 0.177 4.541 4.350 0.023 0.000 0.297 1043 T C 0.930 175.518 174.700 -0.187 0.000 0.956 1043 T CA -0.250 61.901 62.100 0.084 0.000 1.123 1043 T CB 0.426 69.386 68.868 0.154 0.000 0.902 1043 T HN 0.604 nan 8.240 nan 0.000 0.528 1044 S N 2.812 118.150 115.700 -0.604 0.000 3.150 1044 S HA 0.058 4.541 4.470 0.023 0.000 0.252 1044 S C 0.864 175.322 174.600 -0.235 0.000 1.061 1044 S CA 0.309 58.228 58.200 -0.468 0.000 1.201 1044 S CB -0.791 62.001 63.200 -0.679 0.000 0.905 1044 S HN 0.868 nan 8.310 nan 0.000 0.498 1045 K N -0.641 119.685 120.400 -0.124 0.000 2.908 1045 K HA 0.062 4.396 4.320 0.023 0.000 0.290 1045 K C 0.908 177.520 176.600 0.019 0.000 2.706 1045 K CA -0.006 56.257 56.287 -0.041 0.000 1.454 1045 K CB -0.455 32.023 32.500 -0.036 0.000 2.981 1045 K HN -0.041 nan 8.250 nan 0.000 0.361 1046 E N 1.801 122.022 120.200 0.036 0.000 2.197 1046 E HA -0.255 4.108 4.350 0.023 0.000 0.205 1046 E C 1.111 177.777 176.600 0.109 0.000 1.029 1046 E CA 2.241 58.684 56.400 0.072 0.000 0.828 1046 E CB -0.113 29.630 29.700 0.072 0.000 0.737 1046 E HN 0.302 nan 8.360 nan 0.000 0.464 1047 D N -0.268 120.193 120.400 0.101 0.000 2.106 1047 D HA -0.049 4.605 4.640 0.023 0.000 0.203 1047 D C 2.051 178.501 176.300 0.251 0.000 0.977 1047 D CA 0.753 54.834 54.000 0.136 0.000 0.844 1047 D CB -0.097 40.748 40.800 0.076 0.000 1.002 1047 D HN 0.101 nan 8.370 nan 0.000 0.461 1048 I N 1.460 122.155 120.570 0.207 0.000 2.163 1048 I HA -0.186 3.997 4.170 0.023 0.000 0.243 1048 I C 1.480 177.802 176.117 0.342 0.000 1.085 1048 I CA 1.124 62.632 61.300 0.347 0.000 1.347 1048 I CB -1.221 36.876 38.000 0.162 0.000 1.044 1048 I HN 0.039 nan 8.210 nan 0.000 0.408 1049 E N 0.094 120.401 120.200 0.179 0.000 2.405 1049 E HA -0.173 4.191 4.350 0.023 0.000 0.194 1049 E C 1.495 178.148 176.600 0.088 0.000 1.149 1049 E CA 0.077 56.535 56.400 0.096 0.000 0.933 1049 E CB -0.333 29.399 29.700 0.052 0.000 1.028 1049 E HN 0.574 nan 8.360 nan 0.000 0.487 1050 Y N 0.148 120.465 120.300 0.028 0.000 2.269 1050 Y HA -0.037 4.527 4.550 0.023 0.000 0.294 1050 Y C 1.888 177.683 175.900 -0.175 0.000 1.120 1050 Y CA 0.816 58.889 58.100 -0.046 0.000 1.159 1050 Y CB 0.095 38.554 38.460 -0.001 0.000 1.024 1050 Y HN 0.069 nan 8.280 nan 0.000 0.532 1051 I N 0.844 121.239 120.570 -0.292 0.000 2.546 1051 I HA -0.187 3.997 4.170 0.023 0.000 0.255 1051 I C 2.668 178.591 176.117 -0.324 0.000 1.163 1051 I CA 1.176 62.178 61.300 -0.497 0.000 1.457 1051 I CB -0.364 37.123 38.000 -0.855 0.000 1.092 1051 I HN 0.284 nan 8.210 nan 0.000 0.434 1052 R N 0.919 121.292 120.500 -0.212 0.000 2.097 1052 R HA -0.255 4.098 4.340 0.023 0.000 0.236 1052 R C 1.588 177.782 176.300 -0.176 0.000 1.135 1052 R CA 2.730 58.743 56.100 -0.146 0.000 0.934 1052 R CB -0.692 29.555 30.300 -0.088 0.000 0.846 1052 R HN 0.307 nan 8.270 nan 0.000 0.431 1053 D N 0.533 120.790 120.400 -0.238 0.000 2.144 1053 D HA -0.060 4.594 4.640 0.023 0.000 0.200 1053 D C 1.886 178.061 176.300 -0.208 0.000 0.978 1053 D CA 1.554 55.415 54.000 -0.232 0.000 0.833 1053 D CB -0.183 40.481 40.800 -0.226 0.000 0.961 1053 D HN 0.487 nan 8.370 nan 0.000 0.470 1054 A N 0.469 123.090 122.820 -0.331 0.000 1.873 1054 A HA -0.046 4.287 4.320 0.023 0.000 0.215 1054 A C 1.931 179.685 177.584 0.283 0.000 1.186 1054 A CA 0.822 52.794 52.037 -0.108 0.000 0.616 1054 A CB -0.749 17.881 19.000 -0.617 0.000 0.823 1054 A HN 0.216 nan 8.150 nan 0.000 0.442 1055 L N -0.000 121.276 121.223 0.088 0.000 2.675 1055 L HA 0.035 4.389 4.340 0.023 0.000 0.239 1055 L C 1.183 178.078 176.870 0.041 0.000 1.151 1055 L CA 0.500 55.416 54.840 0.125 0.000 0.905 1055 L CB -0.631 41.415 42.059 -0.022 0.000 1.057 1055 L HN 0.405 nan 8.230 nan 0.000 0.435 1056 T N 0.065 114.623 114.554 0.007 0.000 3.558 1056 T HA -0.195 4.168 4.350 0.023 0.000 0.391 1056 T C 0.464 175.101 174.700 -0.105 0.000 0.766 1056 T CA -0.083 61.944 62.100 -0.122 0.000 1.951 1056 T CB -1.022 67.741 68.868 -0.175 0.000 1.743 1056 T HN 0.076 nan 8.240 nan 0.000 0.688 1057 V N 1.178 121.034 119.914 -0.097 0.000 2.843 1057 V HA 0.302 4.436 4.120 0.023 0.000 0.305 1057 V C 2.042 178.091 176.094 -0.075 0.000 1.120 1057 V CA 1.774 64.025 62.300 -0.082 0.000 1.254 1057 V CB 0.485 32.265 31.823 -0.071 0.000 0.901 1057 V HN 1.247 nan 8.190 nan 0.000 0.503 1058 G N 3.713 112.476 108.800 -0.061 0.000 2.320 1058 G HA2 -0.219 3.754 3.960 0.023 0.000 0.242 1058 G HA3 -0.219 3.754 3.960 0.023 0.000 0.242 1058 G C 0.331 175.203 174.900 -0.047 0.000 1.033 1058 G CA 0.177 45.248 45.100 -0.048 0.000 0.620 1058 G HN 0.578 nan 8.290 nan 0.000 0.517 1059 K N 1.886 122.251 120.400 -0.059 0.000 2.295 1059 K HA 0.291 4.625 4.320 0.023 0.000 0.270 1059 K C 0.676 177.251 176.600 -0.041 0.000 1.011 1059 K CA -0.064 56.194 56.287 -0.048 0.000 0.953 1059 K CB 0.572 33.038 32.500 -0.056 0.000 0.956 1059 K HN 0.682 nan 8.250 nan 0.000 0.477 1060 N N 0.473 119.159 118.700 -0.024 0.000 2.444 1060 N HA -0.043 4.711 4.740 0.023 0.000 0.255 1060 N C 0.622 176.121 175.510 -0.018 0.000 1.255 1060 N CA -0.020 53.019 53.050 -0.018 0.000 0.933 1060 N CB 0.469 38.952 38.487 -0.006 0.000 1.143 1060 N HN 0.450 nan 8.380 nan 0.000 0.453 1061 E N -0.335 119.852 120.200 -0.021 0.000 2.219 1061 E HA -0.234 4.129 4.350 0.023 0.000 0.198 1061 E C 0.835 177.438 176.600 0.004 0.000 0.998 1061 E CA 1.314 57.698 56.400 -0.027 0.000 0.818 1061 E CB 0.094 29.787 29.700 -0.011 0.000 0.741 1061 E HN 0.639 nan 8.360 nan 0.000 0.477 1062 E N 1.078 121.287 120.200 0.014 0.000 2.008 1062 E HA -0.162 4.201 4.350 0.023 0.000 0.191 1062 E C 1.730 178.361 176.600 0.051 0.000 0.986 1062 E CA 0.917 57.334 56.400 0.028 0.000 0.807 1062 E CB -0.776 28.936 29.700 0.020 0.000 0.766 1062 E HN 0.194 nan 8.360 nan 0.000 0.450 1063 D N 1.679 122.109 120.400 0.049 0.000 2.116 1063 D HA -0.162 4.491 4.640 0.023 0.000 0.193 1063 D C 1.885 178.267 176.300 0.137 0.000 0.998 1063 D CA 2.022 56.067 54.000 0.075 0.000 0.836 1063 D CB -0.549 40.278 40.800 0.045 0.000 0.951 1063 D HN 0.251 nan 8.370 nan 0.000 0.449 1064 A N 1.198 124.095 122.820 0.129 0.000 1.884 1064 A HA -0.314 4.019 4.320 0.023 0.000 0.219 1064 A C 2.084 179.887 177.584 0.365 0.000 1.197 1064 A CA 2.582 54.769 52.037 0.249 0.000 0.637 1064 A CB -0.762 18.300 19.000 0.104 0.000 0.827 1064 A HN 0.309 nan 8.150 nan 0.000 0.450 1065 K N -0.214 120.317 120.400 0.219 0.000 2.063 1065 K HA -0.263 4.071 4.320 0.023 0.000 0.208 1065 K C 2.106 178.812 176.600 0.176 0.000 1.048 1065 K CA 2.069 58.469 56.287 0.188 0.000 0.928 1065 K CB -0.197 32.355 32.500 0.088 0.000 0.713 1065 K HN 0.335 nan 8.250 nan 0.000 0.442 1066 K N 0.139 120.629 120.400 0.150 0.000 2.026 1066 K HA -0.224 4.110 4.320 0.023 0.000 0.208 1066 K C 2.075 178.758 176.600 0.137 0.000 1.048 1066 K CA 1.696 58.054 56.287 0.118 0.000 0.929 1066 K CB -0.622 31.939 32.500 0.102 0.000 0.713 1066 K HN 0.353 nan 8.250 nan 0.000 0.439 1067 Y N -0.481 119.859 120.300 0.067 0.000 2.128 1067 Y HA -0.241 4.324 4.550 0.025 0.000 0.284 1067 Y C 1.897 177.773 175.900 -0.041 0.000 1.154 1067 Y CA 2.069 60.191 58.100 0.035 0.000 1.149 1067 Y CB -0.305 38.209 38.460 0.089 0.000 0.976 1067 Y HN 0.171 nan 8.280 nan 0.000 0.505 1068 F N 0.162 120.016 119.950 -0.159 0.000 2.146 1068 F HA -0.173 4.367 4.527 0.022 0.000 0.298 1068 F C 1.929 177.570 175.800 -0.266 0.000 1.096 1068 F CA 1.430 59.183 58.000 -0.413 0.000 1.275 1068 F CB -0.426 38.291 39.000 -0.471 0.000 1.008 1068 F HN -0.011 nan 8.300 nan 0.000 0.480 1069 L N -0.234 120.992 121.223 0.005 0.000 2.353 1069 L HA -0.209 4.144 4.340 0.023 0.000 0.220 1069 L C 1.632 178.443 176.870 -0.098 0.000 1.133 1069 L CA 0.966 55.792 54.840 -0.023 0.000 0.798 1069 L CB -0.568 41.509 42.059 0.029 0.000 0.922 1069 L HN 0.129 nan 8.230 nan 0.000 0.445 1070 D N -1.149 119.146 120.400 -0.175 0.000 2.240 1070 D HA -0.100 4.554 4.640 0.023 0.000 0.206 1070 D C 2.285 178.403 176.300 -0.302 0.000 0.963 1070 D CA 0.493 54.378 54.000 -0.191 0.000 0.863 1070 D CB 0.150 40.860 40.800 -0.150 0.000 0.973 1070 D HN 0.198 nan 8.370 nan 0.000 0.501 1071 Q N 0.758 120.255 119.800 -0.504 0.000 2.077 1071 Q HA -0.136 4.218 4.340 0.023 0.000 0.206 1071 Q C 2.548 178.262 176.000 -0.478 0.000 0.989 1071 Q CA 0.718 56.177 55.803 -0.573 0.000 0.853 1071 Q CB -0.478 27.731 28.738 -0.882 0.000 0.907 1071 Q HN 0.433 nan 8.270 nan 0.000 0.418 1072 I N 1.242 121.614 120.570 -0.330 0.000 2.113 1072 I HA -0.307 3.876 4.170 0.023 0.000 0.242 1072 I C 2.187 178.214 176.117 -0.150 0.000 1.057 1072 I CA 1.447 62.688 61.300 -0.098 0.000 1.314 1072 I CB -0.472 37.625 38.000 0.162 0.000 1.022 1072 I HN 0.209 nan 8.210 nan 0.000 0.408 1073 E N 0.475 120.603 120.200 -0.121 0.000 2.160 1073 E HA -0.155 4.209 4.350 0.023 0.000 0.195 1073 E C 2.352 178.864 176.600 -0.148 0.000 0.991 1073 E CA 1.030 57.373 56.400 -0.095 0.000 0.810 1073 E CB -0.296 29.365 29.700 -0.065 0.000 0.742 1073 E HN 0.394 nan 8.360 nan 0.000 0.466 1074 V N 0.399 120.188 119.914 -0.208 0.000 2.515 1074 V HA -0.251 3.882 4.120 0.023 0.000 0.250 1074 V C 2.454 178.403 176.094 -0.242 0.000 1.058 1074 V CA 1.260 63.438 62.300 -0.204 0.000 1.064 1074 V CB -0.465 31.234 31.823 -0.206 0.000 0.675 1074 V HN 0.315 nan 8.190 nan 0.000 0.461 1075 C N -0.229 118.871 119.300 -0.334 0.000 2.462 1075 C HA -0.074 4.400 4.460 0.023 0.000 0.278 1075 C C 2.875 177.697 174.990 -0.281 0.000 1.253 1075 C CA 0.455 59.257 59.018 -0.359 0.000 1.713 1075 C CB -1.033 26.419 27.740 -0.479 0.000 2.049 1075 C HN 0.474 nan 8.230 nan 0.000 0.477 1076 R N 0.934 121.303 120.500 -0.217 0.000 2.170 1076 R HA -0.154 4.200 4.340 0.023 0.000 0.242 1076 R C 1.733 177.936 176.300 -0.161 0.000 1.145 1076 R CA 1.393 57.386 56.100 -0.178 0.000 0.984 1076 R CB -0.918 29.316 30.300 -0.110 0.000 0.869 1076 R HN 0.676 nan 8.270 nan 0.000 0.455 1077 D N 0.778 121.089 120.400 -0.149 0.000 2.137 1077 D HA -0.097 4.556 4.640 0.023 0.000 0.202 1077 D C 1.024 177.256 176.300 -0.113 0.000 0.970 1077 D CA 1.086 55.018 54.000 -0.112 0.000 0.837 1077 D CB 0.329 41.071 40.800 -0.096 0.000 0.981 1077 D HN 0.168 nan 8.370 nan 0.000 0.475 1078 K N -0.486 119.827 120.400 -0.145 0.000 2.360 1078 K HA 0.208 4.542 4.320 0.023 0.000 0.196 1078 K C 1.486 177.987 176.600 -0.164 0.000 1.049 1078 K CA 0.410 56.627 56.287 -0.116 0.000 1.049 1078 K CB 1.088 33.532 32.500 -0.093 0.000 0.881 1078 K HN 0.152 nan 8.250 nan 0.000 0.542 1079 G N 1.899 110.519 108.800 -0.299 0.000 2.987 1079 G HA2 -0.341 3.632 3.960 0.023 0.000 0.363 1079 G HA3 -0.341 3.632 3.960 0.023 0.000 0.363 1079 G C 0.575 175.105 174.900 -0.616 0.000 1.224 1079 G CA 1.243 46.003 45.100 -0.566 0.000 1.042 1079 G HN 0.551 nan 8.290 nan 0.000 0.644 1080 W N 1.332 122.559 121.300 -0.122 0.000 3.005 1080 W HA 0.412 5.086 4.660 0.023 0.000 0.374 1080 W C 2.447 178.971 176.519 0.009 0.000 1.076 1080 W CA 0.286 57.532 57.345 -0.164 0.000 1.794 1080 W CB 0.204 29.540 29.460 -0.207 0.000 1.113 1080 W HN 0.384 nan 8.180 nan 0.000 0.584 1081 T N 1.023 115.699 114.554 0.204 0.000 2.570 1081 T HA -0.266 4.098 4.350 0.023 0.000 0.266 1081 T C 1.757 176.610 174.700 0.254 0.000 1.071 1081 T CA 1.985 64.227 62.100 0.236 0.000 1.172 1081 T CB -0.728 68.211 68.868 0.119 0.000 0.864 1081 T HN -0.061 nan 8.240 nan 0.000 0.421 1082 V N 1.378 121.383 119.914 0.152 0.000 2.591 1082 V HA -0.093 4.041 4.120 0.023 0.000 0.249 1082 V C 2.766 178.982 176.094 0.202 0.000 1.053 1082 V CA 1.086 63.465 62.300 0.133 0.000 1.068 1082 V CB -0.640 31.232 31.823 0.082 0.000 0.689 1082 V HN 0.379 nan 8.190 nan 0.000 0.462 1083 Q N -0.001 119.941 119.800 0.238 0.000 2.029 1083 Q HA -0.279 4.075 4.340 0.023 0.000 0.209 1083 Q C 2.250 178.566 176.000 0.526 0.000 0.999 1083 Q CA 2.494 58.509 55.803 0.352 0.000 0.857 1083 Q CB -0.765 28.090 28.738 0.195 0.000 0.926 1083 Q HN 0.712 nan 8.270 nan 0.000 0.415 1084 F N 2.349 122.546 119.950 0.411 0.000 2.202 1084 F HA -0.167 4.374 4.527 0.023 0.000 0.301 1084 F C 1.538 177.576 175.800 0.397 0.000 1.082 1084 F CA 1.325 59.609 58.000 0.474 0.000 1.313 1084 F CB -0.508 38.707 39.000 0.358 0.000 1.024 1084 F HN 0.053 nan 8.300 nan 0.000 0.495 1085 N N -0.032 118.510 118.700 -0.263 0.000 2.430 1085 N HA -0.244 4.510 4.740 0.023 0.000 0.186 1085 N C 1.498 176.924 175.510 -0.139 0.000 1.032 1085 N CA 1.309 54.119 53.050 -0.401 0.000 0.893 1085 N CB -0.856 37.554 38.487 -0.128 0.000 0.957 1085 N HN 0.671 nan 8.380 nan 0.000 0.442 1086 W N 0.539 121.738 121.300 -0.169 0.000 2.354 1086 W HA -0.110 4.564 4.660 0.022 0.000 0.315 1086 W C 1.468 177.799 176.519 -0.314 0.000 1.206 1086 W CA 1.143 58.316 57.345 -0.288 0.000 1.290 1086 W CB -0.460 28.665 29.460 -0.560 0.000 1.152 1086 W HN -0.065 nan 8.180 nan 0.000 0.489 1087 F N -0.293 119.866 119.950 0.348 0.000 2.710 1087 F HA -0.029 4.512 4.527 0.023 0.000 0.298 1087 F C 2.094 177.897 175.800 0.006 0.000 1.137 1087 F CA 0.703 58.888 58.000 0.308 0.000 1.444 1087 F CB -0.566 38.636 39.000 0.336 0.000 1.111 1087 F HN -0.107 nan 8.300 nan 0.000 0.580 1088 L N -0.472 120.690 121.223 -0.101 0.000 1.988 1088 L HA -0.167 4.186 4.340 0.023 0.000 0.207 1088 L C 1.620 178.308 176.870 -0.304 0.000 1.071 1088 L CA 1.541 56.204 54.840 -0.294 0.000 0.744 1088 L CB -0.346 41.317 42.059 -0.660 0.000 0.893 1088 L HN 0.088 nan 8.230 nan 0.000 0.433 1089 H N 0.749 119.694 119.070 -0.209 0.000 2.813 1089 H HA 0.097 4.666 4.556 0.023 0.000 0.312 1089 H C 1.560 176.682 175.328 -0.344 0.000 1.228 1089 H CA 0.129 56.034 56.048 -0.238 0.000 1.154 1089 H CB 0.114 29.723 29.762 -0.255 0.000 1.418 1089 H HN 0.424 nan 8.280 nan 0.000 0.525 1090 L N 0.065 121.179 121.223 -0.183 0.000 2.068 1090 L HA -0.099 4.254 4.340 0.023 0.000 0.204 1090 L C 1.627 178.451 176.870 -0.077 0.000 1.076 1090 L CA 1.012 55.749 54.840 -0.172 0.000 0.753 1090 L CB 0.312 42.390 42.059 0.032 0.000 0.910 1090 L HN 0.190 nan 8.230 nan 0.000 0.439 1091 V N -2.880 117.018 119.914 -0.027 0.000 3.427 1091 V HA 0.268 4.401 4.120 0.023 0.000 0.305 1091 V C 0.464 176.564 176.094 0.010 0.000 1.412 1091 V CA -0.083 62.215 62.300 -0.004 0.000 1.086 1091 V CB 0.556 32.389 31.823 0.017 0.000 0.964 1091 V HN 0.079 nan 8.190 nan 0.000 0.439 1092 L N 0.000 121.247 121.223 0.041 0.000 2.949 1092 L HA 0.000 4.354 4.340 0.023 0.000 0.249 1092 L CA 0.000 54.917 54.840 0.128 0.000 0.813 1092 L CB 0.000 42.122 42.059 0.105 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502