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 3ml8_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTXXX XXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXTVS LWDCDRKFRV KIRGIDIPVL XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXSFNADKLT SATNPDKENS MSISILLDNY CHPIALPKXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS XXXXXXSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHILGNYX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.607 174.600 0.011 0.000 1.055 144 S CA 0.000 58.201 58.200 0.002 0.000 1.107 144 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 145 E N -0.060 120.146 120.200 0.010 0.000 2.505 145 E HA 0.228 4.597 4.350 0.031 0.000 0.212 145 E C 0.406 177.024 176.600 0.030 0.000 0.825 145 E CA 0.083 56.495 56.400 0.021 0.000 1.333 145 E CB 0.157 29.866 29.700 0.015 0.000 1.319 145 E HN 0.553 nan 8.360 nan 0.000 0.658 146 E N 0.990 121.196 120.200 0.010 0.000 2.533 146 E HA -0.032 4.337 4.350 0.031 0.000 0.201 146 E C 0.930 177.528 176.600 -0.003 0.000 1.097 146 E CA 0.629 57.028 56.400 -0.003 0.000 0.887 146 E CB 0.101 29.773 29.700 -0.047 0.000 0.855 146 E HN 0.181 nan 8.360 nan 0.000 0.540 147 S N -1.819 113.903 115.700 0.037 0.000 2.663 147 S HA 0.246 4.735 4.470 0.031 0.000 0.243 147 S C 1.237 175.910 174.600 0.121 0.000 1.009 147 S CA -0.453 57.804 58.200 0.096 0.000 0.988 147 S CB 0.638 63.869 63.200 0.052 0.000 0.896 147 S HN 0.039 nan 8.310 nan 0.000 0.502 148 Q N 0.042 119.903 119.800 0.100 0.000 2.422 148 Q HA 0.456 4.815 4.340 0.031 0.000 0.255 148 Q C 2.049 178.096 176.000 0.079 0.000 0.864 148 Q CA 0.661 56.509 55.803 0.075 0.000 0.968 148 Q CB 0.227 28.991 28.738 0.045 0.000 1.130 148 Q HN 0.611 nan 8.270 nan 0.000 0.556 149 A N 0.185 123.064 122.820 0.099 0.000 1.943 149 A HA -0.069 4.270 4.320 0.031 0.000 0.213 149 A C 1.652 179.321 177.584 0.143 0.000 1.181 149 A CA 0.347 52.439 52.037 0.092 0.000 0.653 149 A CB -0.484 18.564 19.000 0.080 0.000 0.833 149 A HN 0.384 nan 8.150 nan 0.000 0.451 150 F N 1.233 121.186 119.950 0.004 0.000 2.043 150 F HA -0.314 4.231 4.527 0.031 0.000 0.297 150 F C 2.293 178.096 175.800 0.006 0.000 1.118 150 F CA 2.486 60.490 58.000 0.006 0.000 1.202 150 F CB -0.811 38.191 39.000 0.004 0.000 0.965 150 F HN 0.331 nan 8.300 nan 0.000 0.482 151 Q N 0.348 120.147 119.800 -0.001 0.000 2.389 151 Q HA -0.238 4.121 4.340 0.031 0.000 0.213 151 Q C 2.156 178.086 176.000 -0.117 0.000 0.989 151 Q CA 1.729 57.460 55.803 -0.120 0.000 0.891 151 Q CB -0.399 28.328 28.738 -0.018 0.000 0.923 151 Q HN 0.483 nan 8.270 nan 0.000 0.455 152 R N -1.296 119.166 120.500 -0.064 0.000 2.140 152 R HA 0.054 4.413 4.340 0.031 0.000 0.213 152 R C 2.116 178.378 176.300 -0.063 0.000 1.059 152 R CA 0.985 57.056 56.100 -0.049 0.000 1.000 152 R CB 0.060 30.353 30.300 -0.011 0.000 0.910 152 R HN 0.419 nan 8.270 nan 0.000 0.455 153 Q N 0.398 120.152 119.800 -0.077 0.000 2.049 153 Q HA -0.091 4.268 4.340 0.031 0.000 0.198 153 Q C 1.892 177.815 176.000 -0.128 0.000 0.971 153 Q CA 1.165 56.926 55.803 -0.070 0.000 0.833 153 Q CB 0.024 28.752 28.738 -0.017 0.000 0.896 153 Q HN 0.309 nan 8.270 nan 0.000 0.434 154 L N 0.319 121.377 121.223 -0.274 0.000 2.021 154 L HA -0.258 4.101 4.340 0.031 0.000 0.215 154 L C 2.503 179.289 176.870 -0.141 0.000 1.074 154 L CA 1.809 56.490 54.840 -0.265 0.000 0.760 154 L CB -0.780 41.020 42.059 -0.432 0.000 0.889 154 L HN 0.344 nan 8.230 nan 0.000 0.433 155 T N -0.502 113.976 114.554 -0.127 0.000 2.788 155 T HA -0.138 4.231 4.350 0.031 0.000 0.268 155 T C 1.787 176.455 174.700 -0.053 0.000 1.044 155 T CA 1.361 63.412 62.100 -0.081 0.000 1.139 155 T CB -0.110 68.706 68.868 -0.086 0.000 0.867 155 T HN 0.482 nan 8.240 nan 0.000 0.454 156 A N 0.217 123.010 122.820 -0.046 0.000 2.081 156 A HA 0.309 4.648 4.320 0.031 0.000 0.214 156 A C 2.173 179.755 177.584 -0.003 0.000 1.158 156 A CA 0.354 52.380 52.037 -0.019 0.000 0.724 156 A CB -0.447 18.545 19.000 -0.013 0.000 0.826 156 A HN 0.435 nan 8.150 nan 0.000 0.463 157 L N -0.540 120.678 121.223 -0.008 0.000 2.056 157 L HA -0.136 4.222 4.340 0.031 0.000 0.207 157 L C 2.357 179.221 176.870 -0.010 0.000 1.078 157 L CA 1.228 56.089 54.840 0.036 0.000 0.749 157 L CB -0.295 41.795 42.059 0.051 0.000 0.901 157 L HN 0.391 nan 8.230 nan 0.000 0.433 158 I N -0.840 119.699 120.570 -0.053 0.000 2.286 158 I HA -0.149 4.039 4.170 0.031 0.000 0.245 158 I C 1.667 177.750 176.117 -0.057 0.000 1.104 158 I CA 1.171 62.412 61.300 -0.098 0.000 1.397 158 I CB -0.403 37.579 38.000 -0.030 0.000 1.072 158 I HN 0.475 nan 8.210 nan 0.000 0.417 159 G N -0.092 108.708 108.800 0.001 0.000 2.141 159 G HA2 -0.319 3.660 3.960 0.031 0.000 0.242 159 G HA3 -0.319 3.660 3.960 0.031 0.000 0.242 159 G C -0.068 174.905 174.900 0.123 0.000 0.982 159 G CA 0.132 45.257 45.100 0.042 0.000 0.662 159 G HN 0.397 nan 8.290 nan 0.000 0.527 160 Y N -0.034 120.244 120.300 -0.037 0.000 2.519 160 Y HA 0.525 5.094 4.550 0.032 0.000 0.336 160 Y C -1.510 174.371 175.900 -0.032 0.000 1.089 160 Y CA -1.150 56.936 58.100 -0.024 0.000 1.025 160 Y CB 1.971 40.423 38.460 -0.013 0.000 1.318 160 Y HN 0.031 nan 8.280 nan 0.000 0.452 161 D N 4.564 124.535 120.400 -0.714 0.000 2.422 161 D HA 0.168 4.827 4.640 0.031 0.000 0.227 161 D C 1.041 177.114 176.300 -0.378 0.000 1.190 161 D CA 0.206 53.940 54.000 -0.444 0.000 0.905 161 D CB 1.158 41.718 40.800 -0.400 0.000 1.034 161 D HN 0.541 nan 8.370 nan 0.000 0.507 162 V N 2.426 122.318 119.914 -0.037 0.000 2.270 162 V HA -0.183 3.956 4.120 0.031 0.000 0.245 162 V C 2.165 178.279 176.094 0.034 0.000 1.043 162 V CA 2.210 64.579 62.300 0.115 0.000 1.014 162 V CB -1.702 30.181 31.823 0.101 0.000 0.645 162 V HN 0.624 nan 8.190 nan 0.000 0.447 163 T N -1.151 113.396 114.554 -0.012 0.000 2.802 163 T HA -0.271 4.098 4.350 0.031 0.000 0.269 163 T C 0.919 175.609 174.700 -0.018 0.000 1.062 163 T CA 1.504 63.597 62.100 -0.011 0.000 1.133 163 T CB -1.220 67.635 68.868 -0.022 0.000 0.852 163 T HN 0.783 nan 8.240 nan 0.000 0.485 164 D N -0.420 119.947 120.400 -0.055 0.000 2.303 164 D HA 0.098 4.756 4.640 0.031 0.000 0.233 164 D C 0.654 176.952 176.300 -0.004 0.000 1.313 164 D CA 1.102 55.068 54.000 -0.057 0.000 0.883 164 D CB 0.451 41.168 40.800 -0.138 0.000 1.220 164 D HN 0.050 nan 8.370 nan 0.000 0.490 165 V N -0.115 119.799 119.914 0.001 0.000 3.777 165 V HA -0.061 4.077 4.120 0.031 0.000 0.285 165 V C 1.601 177.708 176.094 0.021 0.000 1.668 165 V CA 0.499 62.811 62.300 0.020 0.000 1.178 165 V CB -0.110 31.724 31.823 0.018 0.000 0.962 165 V HN 0.671 nan 8.190 nan 0.000 0.411 166 S N 0.564 116.269 115.700 0.008 0.000 2.440 166 S HA -0.108 4.381 4.470 0.031 0.000 0.238 166 S C 1.200 175.808 174.600 0.012 0.000 1.010 166 S CA 1.999 60.200 58.200 0.002 0.000 0.972 166 S CB -0.216 62.973 63.200 -0.018 0.000 0.774 166 S HN 0.511 nan 8.310 nan 0.000 0.501 167 N N 0.462 119.182 118.700 0.033 0.000 2.541 167 N HA 0.421 5.180 4.740 0.031 0.000 0.297 167 N C -1.311 174.234 175.510 0.059 0.000 1.503 167 N CA -0.160 52.914 53.050 0.040 0.000 0.919 167 N CB 0.991 39.501 38.487 0.040 0.000 1.305 167 N HN 0.193 nan 8.380 nan 0.000 0.501 168 V N 0.942 120.887 119.914 0.053 0.000 2.881 168 V HA 0.360 4.499 4.120 0.031 0.000 0.316 168 V C 0.340 176.478 176.094 0.074 0.000 1.070 168 V CA -0.623 61.688 62.300 0.018 0.000 0.976 168 V CB 1.851 33.681 31.823 0.011 0.000 1.038 168 V HN 0.519 nan 8.190 nan 0.000 0.446 169 H N 1.938 121.077 119.070 0.115 0.000 2.750 169 H HA 0.425 5.000 4.556 0.031 0.000 0.252 169 H C -0.661 174.761 175.328 0.157 0.000 1.176 169 H CA -0.159 55.965 56.048 0.126 0.000 0.987 169 H CB 0.780 30.651 29.762 0.181 0.000 1.810 169 H HN 0.768 nan 8.280 nan 0.000 0.630 170 D N 0.764 121.177 120.400 0.021 0.000 2.871 170 D HA -0.099 4.560 4.640 0.031 0.000 0.330 170 D C -1.128 175.211 176.300 0.065 0.000 1.364 170 D CA -0.328 53.735 54.000 0.105 0.000 0.759 170 D CB 0.537 41.452 40.800 0.192 0.000 1.325 170 D HN 0.124 nan 8.370 nan 0.000 0.452 171 D N -0.469 120.007 120.400 0.127 0.000 2.895 171 D HA 0.095 4.753 4.640 0.031 0.000 0.258 171 D C 0.536 176.863 176.300 0.045 0.000 1.311 171 D CA -0.261 53.808 54.000 0.115 0.000 0.843 171 D CB 0.399 41.299 40.800 0.168 0.000 1.055 171 D HN 0.482 nan 8.370 nan 0.000 0.486 172 E N 0.207 120.322 120.200 -0.142 0.000 2.072 172 E HA -0.068 4.301 4.350 0.031 0.000 0.190 172 E C 1.901 178.524 176.600 0.039 0.000 0.982 172 E CA 0.398 56.505 56.400 -0.488 0.000 0.803 172 E CB 0.233 29.695 29.700 -0.397 0.000 0.755 172 E HN 0.354 nan 8.360 nan 0.000 0.453 173 L N 1.215 122.507 121.223 0.115 0.000 1.989 173 L HA -0.222 4.137 4.340 0.031 0.000 0.211 173 L C 2.554 179.461 176.870 0.062 0.000 1.071 173 L CA 1.202 56.059 54.840 0.029 0.000 0.749 173 L CB -0.441 41.568 42.059 -0.083 0.000 0.890 173 L HN 0.072 nan 8.230 nan 0.000 0.431 174 E N -0.199 120.048 120.200 0.078 0.000 2.085 174 E HA -0.280 4.089 4.350 0.031 0.000 0.194 174 E C 2.047 178.716 176.600 0.116 0.000 0.994 174 E CA 1.448 57.899 56.400 0.085 0.000 0.801 174 E CB -0.553 29.203 29.700 0.094 0.000 0.743 174 E HN 0.431 nan 8.360 nan 0.000 0.453 175 F N 2.052 122.015 119.950 0.022 0.000 2.161 175 F HA -0.214 4.332 4.527 0.031 0.000 0.300 175 F C 2.170 178.002 175.800 0.053 0.000 1.089 175 F CA 1.826 59.859 58.000 0.056 0.000 1.282 175 F CB -0.109 38.932 39.000 0.067 0.000 1.010 175 F HN -0.079 nan 8.300 nan 0.000 0.485 176 T N 0.429 115.053 114.554 0.117 0.000 2.978 176 T HA -0.012 4.356 4.350 0.031 0.000 0.262 176 T C 1.952 176.643 174.700 -0.015 0.000 1.063 176 T CA 0.647 62.776 62.100 0.049 0.000 1.140 176 T CB -0.137 68.830 68.868 0.165 0.000 0.886 176 T HN 0.223 nan 8.240 nan 0.000 0.470 177 R N 1.397 121.897 120.500 0.000 0.000 2.097 177 R HA -0.077 4.282 4.340 0.031 0.000 0.236 177 R C 2.686 178.962 176.300 -0.040 0.000 1.135 177 R CA 1.456 57.551 56.100 -0.008 0.000 0.934 177 R CB -0.343 29.961 30.300 0.007 0.000 0.846 177 R HN 0.336 nan 8.270 nan 0.000 0.431 178 R N -0.171 120.287 120.500 -0.070 0.000 2.133 178 R HA -0.179 4.180 4.340 0.031 0.000 0.245 178 R C 2.504 178.716 176.300 -0.146 0.000 1.137 178 R CA 1.727 57.761 56.100 -0.109 0.000 0.947 178 R CB -0.877 29.323 30.300 -0.166 0.000 0.865 178 R HN 0.433 nan 8.270 nan 0.000 0.437 179 G N 0.657 109.316 108.800 -0.235 0.000 2.442 179 G HA2 -0.223 3.756 3.960 0.031 0.000 0.219 179 G HA3 -0.223 3.756 3.960 0.031 0.000 0.219 179 G C 1.365 176.215 174.900 -0.082 0.000 1.141 179 G CA 0.569 45.541 45.100 -0.213 0.000 0.763 179 G HN 0.175 nan 8.290 nan 0.000 0.554 180 L N 0.518 121.715 121.223 -0.043 0.000 2.395 180 L HA 0.029 4.387 4.340 0.031 0.000 0.218 180 L C 2.776 179.645 176.870 -0.001 0.000 1.130 180 L CA -0.226 54.613 54.840 -0.001 0.000 0.826 180 L CB -0.096 41.977 42.059 0.023 0.000 0.941 180 L HN 0.043 nan 8.230 nan 0.000 0.451 181 V N -0.134 119.771 119.914 -0.016 0.000 2.370 181 V HA -0.348 3.791 4.120 0.031 0.000 0.252 181 V C 2.473 178.563 176.094 -0.007 0.000 1.068 181 V CA 2.500 64.795 62.300 -0.009 0.000 1.061 181 V CB -0.900 30.914 31.823 -0.015 0.000 0.656 181 V HN 0.508 nan 8.190 nan 0.000 0.455 182 T N 0.202 114.749 114.554 -0.011 0.000 2.851 182 T HA -0.027 4.342 4.350 0.031 0.000 0.262 182 T C -0.017 174.684 174.700 0.003 0.000 1.043 182 T CA 1.518 63.614 62.100 -0.006 0.000 1.140 182 T CB -1.049 67.815 68.868 -0.007 0.000 0.872 182 T HN 0.522 nan 8.240 nan 0.000 0.446 183 P HA -0.029 nan 4.420 nan 0.000 0.219 183 P C 1.455 178.763 177.300 0.013 0.000 1.150 183 P CA 0.995 64.107 63.100 0.020 0.000 0.814 183 P CB 0.041 31.764 31.700 0.038 0.000 0.787 184 R N 0.194 120.701 120.500 0.011 0.000 2.082 184 R HA -0.076 4.282 4.340 0.031 0.000 0.234 184 R C 2.387 178.678 176.300 -0.016 0.000 1.136 184 R CA 2.127 58.228 56.100 0.002 0.000 0.935 184 R CB -0.742 29.562 30.300 0.006 0.000 0.842 184 R HN 0.073 nan 8.270 nan 0.000 0.430 185 M N -0.170 119.422 119.600 -0.014 0.000 2.394 185 M HA -0.000 4.498 4.480 0.031 0.000 0.264 185 M C 2.242 178.528 176.300 -0.023 0.000 1.073 185 M CA 1.220 56.507 55.300 -0.021 0.000 1.111 185 M CB 0.118 32.709 32.600 -0.015 0.000 1.401 185 M HN 0.369 nan 8.290 nan 0.000 0.448 186 A N -0.215 122.596 122.820 -0.015 0.000 2.015 186 A HA -0.151 4.188 4.320 0.031 0.000 0.219 186 A C 1.963 179.533 177.584 -0.023 0.000 1.163 186 A CA 1.793 53.822 52.037 -0.012 0.000 0.646 186 A CB -0.325 18.675 19.000 0.000 0.000 0.806 186 A HN 0.394 nan 8.150 nan 0.000 0.448 187 E N -0.644 119.536 120.200 -0.033 0.000 2.216 187 E HA 0.017 4.386 4.350 0.031 0.000 0.192 187 E C 1.765 178.307 176.600 -0.097 0.000 0.973 187 E CA 0.933 57.301 56.400 -0.054 0.000 0.851 187 E CB -0.063 29.609 29.700 -0.047 0.000 0.804 187 E HN 0.229 nan 8.360 nan 0.000 0.477 188 V N 1.133 120.987 119.914 -0.100 0.000 2.307 188 V HA -0.200 3.938 4.120 0.031 0.000 0.245 188 V C 2.412 178.446 176.094 -0.100 0.000 1.045 188 V CA 1.766 63.986 62.300 -0.133 0.000 1.024 188 V CB -1.116 30.646 31.823 -0.101 0.000 0.651 188 V HN 0.386 nan 8.190 nan 0.000 0.449 189 A N -0.659 122.123 122.820 -0.064 0.000 2.076 189 A HA -0.218 4.121 4.320 0.031 0.000 0.220 189 A C 2.431 179.989 177.584 -0.044 0.000 1.160 189 A CA 2.266 54.276 52.037 -0.045 0.000 0.653 189 A CB -0.438 18.543 19.000 -0.031 0.000 0.801 189 A HN 0.512 nan 8.150 nan 0.000 0.455 190 S N -1.028 114.640 115.700 -0.052 0.000 2.512 190 S HA 0.092 4.580 4.470 0.031 0.000 0.216 190 S C 0.825 175.398 174.600 -0.046 0.000 1.006 190 S CA -0.281 57.896 58.200 -0.038 0.000 0.915 190 S CB -0.099 63.084 63.200 -0.027 0.000 0.824 190 S HN 0.709 nan 8.310 nan 0.000 0.497 191 R N 1.608 122.058 120.500 -0.084 0.000 2.308 191 R HA 0.395 4.754 4.340 0.031 0.000 0.305 191 R C -0.843 175.429 176.300 -0.047 0.000 1.053 191 R CA -0.582 55.464 56.100 -0.091 0.000 0.957 191 R CB 0.213 30.379 30.300 -0.224 0.000 1.022 191 R HN -0.005 nan 8.270 nan 0.000 0.461 192 D N 4.458 124.860 120.400 0.002 0.000 2.389 192 D HA 0.034 4.693 4.640 0.031 0.000 0.263 192 D C -1.485 174.854 176.300 0.066 0.000 1.255 192 D CA -2.115 51.902 54.000 0.028 0.000 0.914 192 D CB 1.200 42.022 40.800 0.037 0.000 1.116 192 D HN 0.376 nan 8.370 nan 0.000 0.502 193 P HA -0.150 nan 4.420 nan 0.000 0.221 193 P C 1.121 178.481 177.300 0.101 0.000 1.145 193 P CA 1.151 64.313 63.100 0.103 0.000 0.795 193 P CB 0.207 31.942 31.700 0.057 0.000 0.775 194 K N 0.294 120.727 120.400 0.055 0.000 1.973 194 K HA -0.094 4.244 4.320 0.031 0.000 0.210 194 K C 1.933 178.548 176.600 0.025 0.000 1.045 194 K CA 1.361 57.660 56.287 0.020 0.000 0.937 194 K CB -0.868 31.636 32.500 0.007 0.000 0.721 194 K HN 0.007 nan 8.250 nan 0.000 0.438 195 L N 0.066 121.324 121.223 0.058 0.000 2.141 195 L HA -0.142 4.217 4.340 0.031 0.000 0.209 195 L C 2.428 179.378 176.870 0.132 0.000 1.094 195 L CA 0.943 55.828 54.840 0.074 0.000 0.763 195 L CB -0.458 41.651 42.059 0.083 0.000 0.908 195 L HN 0.342 nan 8.230 nan 0.000 0.437 196 Y N 0.697 121.015 120.300 0.030 0.000 2.497 196 Y HA -0.115 4.453 4.550 0.031 0.000 0.292 196 Y C 2.262 178.201 175.900 0.065 0.000 1.137 196 Y CA 0.608 58.739 58.100 0.051 0.000 1.285 196 Y CB -0.090 38.388 38.460 0.031 0.000 0.991 196 Y HN 0.091 nan 8.280 nan 0.000 0.556 197 A N -0.255 122.550 122.820 -0.025 0.000 1.935 197 A HA -0.007 4.332 4.320 0.031 0.000 0.214 197 A C 1.931 179.465 177.584 -0.083 0.000 1.178 197 A CA 1.464 53.432 52.037 -0.116 0.000 0.640 197 A CB -0.340 18.608 19.000 -0.085 0.000 0.825 197 A HN 0.483 nan 8.150 nan 0.000 0.447 198 M N 0.321 119.846 119.600 -0.125 0.000 2.333 198 M HA 0.106 4.605 4.480 0.031 0.000 0.257 198 M C 0.011 176.127 176.300 -0.306 0.000 1.078 198 M CA 0.047 55.196 55.300 -0.252 0.000 1.005 198 M CB 0.068 32.382 32.600 -0.477 0.000 1.444 198 M HN 0.680 nan 8.290 nan 0.000 0.496 199 H N -0.141 118.936 119.070 0.013 0.000 2.315 199 H HA -0.093 4.482 4.556 0.031 0.000 0.324 199 H C -2.493 172.904 175.328 0.116 0.000 0.996 199 H CA -0.332 55.736 56.048 0.033 0.000 1.090 199 H CB -2.023 27.706 29.762 -0.054 0.000 1.580 199 H HN 0.209 nan 8.280 nan 0.000 0.374 200 P HA -0.132 nan 4.420 nan 0.000 0.267 200 P C 0.197 177.656 177.300 0.265 0.000 1.195 200 P CA 0.162 63.379 63.100 0.195 0.000 0.773 200 P CB 0.507 32.336 31.700 0.214 0.000 0.837 201 W N 4.317 125.675 121.300 0.097 0.000 2.227 201 W HA 0.349 5.028 4.660 0.031 0.000 0.308 201 W C -1.287 175.190 176.519 -0.070 0.000 0.882 201 W CA -0.951 56.432 57.345 0.063 0.000 1.707 201 W CB -0.256 29.285 29.460 0.134 0.000 1.782 201 W HN -0.006 nan 8.180 nan 0.000 0.385 202 V N 2.911 122.867 119.914 0.070 0.000 3.036 202 V HA 0.605 4.744 4.120 0.031 0.000 0.308 202 V C 0.335 176.391 176.094 -0.063 0.000 1.070 202 V CA -0.238 61.936 62.300 -0.209 0.000 1.056 202 V CB 1.635 33.294 31.823 -0.273 0.000 1.084 202 V HN 0.246 nan 8.190 nan 0.000 0.471 203 T N 0.594 115.073 114.554 -0.125 0.000 3.032 203 T HA 0.282 4.651 4.350 0.031 0.000 0.312 203 T C 0.093 174.764 174.700 -0.050 0.000 1.078 203 T CA -0.335 61.735 62.100 -0.050 0.000 1.028 203 T CB 1.629 70.455 68.868 -0.069 0.000 1.091 203 T HN 0.543 nan 8.240 nan 0.000 0.457 204 S N 3.401 119.094 115.700 -0.010 0.000 2.582 204 S HA 0.249 4.737 4.470 0.031 0.000 0.234 204 S C 0.437 175.038 174.600 0.003 0.000 0.961 204 S CA -0.363 57.833 58.200 -0.007 0.000 0.953 204 S CB -0.052 63.152 63.200 0.007 0.000 0.800 204 S HN 0.558 nan 8.310 nan 0.000 0.471 205 K N 2.601 123.001 120.400 -0.000 0.000 2.087 205 K HA 0.373 4.712 4.320 0.031 0.000 0.255 205 K C -2.726 173.872 176.600 -0.003 0.000 0.988 205 K CA -2.079 54.211 56.287 0.005 0.000 0.915 205 K CB -0.002 32.503 32.500 0.008 0.000 1.043 205 K HN -0.004 nan 8.250 nan 0.000 0.457 206 P HA -0.031 nan 4.420 nan 0.000 0.268 206 P C -0.345 176.945 177.300 -0.017 0.000 1.205 206 P CA -0.390 62.728 63.100 0.030 0.000 0.771 206 P CB 0.499 32.232 31.700 0.056 0.000 0.858 207 L N 5.420 126.624 121.223 -0.033 0.000 2.456 207 L HA 0.164 4.523 4.340 0.031 0.000 0.277 207 L C -1.797 174.944 176.870 -0.215 0.000 1.124 207 L CA -1.539 53.169 54.840 -0.220 0.000 0.880 207 L CB -0.015 41.780 42.059 -0.441 0.000 1.192 207 L HN 0.294 nan 8.230 nan 0.000 0.463 208 P HA -0.036 nan 4.420 nan 0.000 0.278 208 P C 0.381 177.510 177.300 -0.286 0.000 1.270 208 P CA -0.034 62.869 63.100 -0.329 0.000 0.800 208 P CB 0.791 32.130 31.700 -0.602 0.000 1.142 209 E N 0.317 120.425 120.200 -0.153 0.000 2.015 209 E HA -0.222 4.147 4.350 0.031 0.000 0.191 209 E C 2.083 178.686 176.600 0.006 0.000 0.991 209 E CA 1.652 58.082 56.400 0.050 0.000 0.802 209 E CB -1.591 28.172 29.700 0.104 0.000 0.759 209 E HN 0.557 nan 8.360 nan 0.000 0.447 210 Y N -0.104 120.215 120.300 0.032 0.000 2.365 210 Y HA -0.062 4.507 4.550 0.031 0.000 0.287 210 Y C 1.731 177.623 175.900 -0.013 0.000 1.162 210 Y CA 0.866 58.969 58.100 0.004 0.000 1.260 210 Y CB -0.648 37.788 38.460 -0.040 0.000 0.976 210 Y HN 0.024 nan 8.280 nan 0.000 0.548 211 L N -2.146 118.883 121.223 -0.325 0.000 2.592 211 L HA 0.085 4.444 4.340 0.031 0.000 0.227 211 L C 1.439 178.129 176.870 -0.300 0.000 1.127 211 L CA 0.113 54.774 54.840 -0.299 0.000 0.884 211 L CB -0.227 41.537 42.059 -0.492 0.000 1.065 211 L HN 0.312 nan 8.230 nan 0.000 0.457 212 W N 1.049 122.280 121.300 -0.116 0.000 2.580 212 W HA -0.044 4.634 4.660 0.031 0.000 0.287 212 W C 2.303 178.801 176.519 -0.035 0.000 1.175 212 W CA 0.030 57.332 57.345 -0.072 0.000 1.409 212 W CB 0.247 29.665 29.460 -0.071 0.000 1.101 212 W HN -0.025 nan 8.180 nan 0.000 0.558 213 K N 0.857 121.394 120.400 0.229 0.000 2.633 213 K HA -0.057 4.282 4.320 0.031 0.000 0.193 213 K C 1.103 177.771 176.600 0.112 0.000 1.033 213 K CA 1.061 57.438 56.287 0.149 0.000 0.980 213 K CB -0.183 32.396 32.500 0.131 0.000 0.800 213 K HN 0.125 nan 8.250 nan 0.000 0.493 214 K N 0.588 121.042 120.400 0.090 0.000 2.402 214 K HA 0.282 4.621 4.320 0.031 0.000 0.204 214 K C -0.061 176.560 176.600 0.035 0.000 1.056 214 K CA -0.185 56.134 56.287 0.053 0.000 1.069 214 K CB 0.581 33.098 32.500 0.029 0.000 0.888 214 K HN 0.157 nan 8.250 nan 0.000 0.546 215 I N 0.795 121.399 120.570 0.056 0.000 2.396 215 I HA 0.073 4.262 4.170 0.031 0.000 0.292 215 I C 1.404 177.562 176.117 0.068 0.000 0.999 215 I CA -0.338 60.989 61.300 0.046 0.000 1.310 215 I CB 1.749 39.787 38.000 0.064 0.000 1.404 215 I HN 0.036 nan 8.210 nan 0.000 0.496 216 A N 6.065 128.912 122.820 0.045 0.000 1.844 216 A HA -0.194 4.145 4.320 0.031 0.000 0.214 216 A C 0.370 177.985 177.584 0.053 0.000 1.217 216 A CA 2.024 54.095 52.037 0.056 0.000 0.644 216 A CB -0.496 18.542 19.000 0.063 0.000 0.850 216 A HN 0.923 nan 8.150 nan 0.000 0.456 217 N N -2.962 115.758 118.700 0.033 0.000 2.600 217 N HA 0.196 4.955 4.740 0.031 0.000 0.272 217 N C -0.659 174.867 175.510 0.025 0.000 1.095 217 N CA -0.047 53.028 53.050 0.042 0.000 0.993 217 N CB 0.561 39.067 38.487 0.031 0.000 1.603 217 N HN 0.319 nan 8.380 nan 0.000 0.526 218 N N 0.077 118.821 118.700 0.073 0.000 2.677 218 N HA -0.241 4.517 4.740 0.031 0.000 0.249 218 N C -1.279 174.221 175.510 -0.018 0.000 1.073 218 N CA 1.177 54.271 53.050 0.072 0.000 0.737 218 N CB -0.662 37.851 38.487 0.043 0.000 0.999 218 N HN 0.748 nan 8.380 nan 0.000 0.543 219 C N 0.945 120.190 119.300 -0.091 0.000 2.432 219 C HA 0.671 5.149 4.460 0.031 0.000 0.334 219 C C -0.002 174.736 174.990 -0.420 0.000 1.155 219 C CA -0.904 57.947 59.018 -0.278 0.000 1.335 219 C CB 0.327 27.866 27.740 -0.335 0.000 1.964 219 C HN 0.242 nan 8.230 nan 0.000 0.444 220 I N 4.571 124.889 120.570 -0.421 0.000 2.707 220 I HA 0.582 4.771 4.170 0.031 0.000 0.309 220 I C -0.613 175.209 176.117 -0.491 0.000 1.001 220 I CA -0.562 60.519 61.300 -0.365 0.000 1.129 220 I CB 1.750 39.645 38.000 -0.175 0.000 1.308 220 I HN 0.530 nan 8.210 nan 0.000 0.466 221 F N 4.857 124.807 119.950 0.001 0.000 2.507 221 F HA 0.566 5.112 4.527 0.031 0.000 0.325 221 F C -0.262 175.538 175.800 -0.001 0.000 1.116 221 F CA -0.675 57.329 58.000 0.006 0.000 0.930 221 F CB 1.722 40.733 39.000 0.018 0.000 1.146 221 F HN 0.080 nan 8.300 nan 0.000 0.447 222 I N 4.425 125.116 120.570 0.200 0.000 2.476 222 I HA 0.247 4.435 4.170 0.031 0.000 0.281 222 I C -0.933 175.191 176.117 0.011 0.000 1.040 222 I CA -0.875 60.467 61.300 0.070 0.000 1.094 222 I CB 1.629 39.636 38.000 0.012 0.000 1.219 222 I HN 0.188 nan 8.210 nan 0.000 0.450 223 V N 6.912 126.770 119.914 -0.094 0.000 2.439 223 V HA 0.228 4.366 4.120 0.031 0.000 0.271 223 V C 0.547 176.588 176.094 -0.088 0.000 1.040 223 V CA 0.047 62.246 62.300 -0.168 0.000 1.002 223 V CB 0.263 31.759 31.823 -0.545 0.000 1.000 223 V HN 0.467 nan 8.190 nan 0.000 0.477 224 I N 5.015 125.613 120.570 0.047 0.000 2.499 224 I HA 0.463 4.652 4.170 0.031 0.000 0.296 224 I C -0.315 176.035 176.117 0.388 0.000 0.992 224 I CA -0.523 60.813 61.300 0.059 0.000 1.297 224 I CB 1.128 39.025 38.000 -0.171 0.000 1.410 224 I HN 0.580 nan 8.210 nan 0.000 0.507 225 H N 3.973 123.001 119.070 -0.071 0.000 2.589 225 H HA 0.584 5.159 4.556 0.031 0.000 0.351 225 H C -0.262 175.054 175.328 -0.020 0.000 1.074 225 H CA -0.745 55.289 56.048 -0.023 0.000 1.203 225 H CB 1.725 31.486 29.762 -0.002 0.000 1.558 225 H HN 0.446 nan 8.280 nan 0.000 0.522 226 R N 0.512 121.071 120.500 0.099 0.000 2.618 226 R HA 0.429 4.788 4.340 0.031 0.000 0.108 226 R C 1.336 177.651 176.300 0.026 0.000 1.220 226 R CA 0.242 56.367 56.100 0.042 0.000 1.020 226 R CB -0.174 30.148 30.300 0.037 0.000 0.950 226 R HN 0.550 nan 8.270 nan 0.000 0.397 227 S N -0.481 115.221 115.700 0.004 0.000 2.563 227 S HA -0.201 4.288 4.470 0.031 0.000 0.236 227 S C 1.332 175.935 174.600 0.005 0.000 1.085 227 S CA 2.622 60.822 58.200 -0.001 0.000 1.341 227 S CB -0.724 62.470 63.200 -0.008 0.000 1.186 227 S HN 0.809 nan 8.310 nan 0.000 0.408 228 T N -1.479 113.069 114.554 -0.009 0.000 3.041 228 T HA 0.167 4.536 4.350 0.031 0.000 0.276 228 T C 0.395 175.060 174.700 -0.058 0.000 0.948 228 T CA 0.315 62.399 62.100 -0.026 0.000 0.885 228 T CB -0.316 68.542 68.868 -0.017 0.000 1.175 228 T HN 0.476 nan 8.240 nan 0.000 0.529 229 T N 1.975 116.507 114.554 -0.038 0.000 2.775 229 T HA 0.441 4.810 4.350 0.031 0.000 0.281 229 T C 0.691 175.357 174.700 -0.056 0.000 0.908 229 T CA -0.358 61.720 62.100 -0.037 0.000 1.123 229 T CB 0.286 69.149 68.868 -0.008 0.000 0.879 229 T HN 0.200 nan 8.240 nan 0.000 0.547 230 S N 2.729 118.352 115.700 -0.129 0.000 2.278 230 S HA 0.358 4.846 4.470 0.031 0.000 0.218 230 S C 0.229 174.809 174.600 -0.034 0.000 1.345 230 S CA -0.480 57.590 58.200 -0.217 0.000 1.006 230 S CB -0.240 62.787 63.200 -0.287 0.000 0.811 230 S HN 1.010 nan 8.310 nan 0.000 0.459 231 Q N -0.724 119.064 119.800 -0.020 0.000 3.449 231 Q HA 0.097 4.455 4.340 0.031 0.000 0.138 231 Q C -1.790 174.248 176.000 0.063 0.000 0.988 231 Q CA 0.252 56.096 55.803 0.068 0.000 1.222 231 Q CB -0.644 28.223 28.738 0.214 0.000 1.798 231 Q HN 0.590 nan 8.270 nan 0.000 0.590 232 T N 4.409 118.986 114.554 0.039 0.000 2.925 232 T HA 0.895 5.264 4.350 0.031 0.000 0.285 232 T C -0.120 174.641 174.700 0.102 0.000 1.021 232 T CA -0.433 61.683 62.100 0.027 0.000 1.042 232 T CB 0.580 69.398 68.868 -0.083 0.000 1.037 232 T HN 0.439 nan 8.240 nan 0.000 0.481 233 I N 1.387 122.062 120.570 0.176 0.000 2.769 233 I HA 0.399 4.588 4.170 0.031 0.000 0.298 233 I C -0.141 176.221 176.117 0.408 0.000 1.128 233 I CA -1.224 60.219 61.300 0.238 0.000 1.031 233 I CB 2.430 40.552 38.000 0.202 0.000 1.235 233 I HN 0.342 nan 8.210 nan 0.000 0.423 234 K N 2.882 123.499 120.400 0.361 0.000 2.295 234 K HA 0.602 4.941 4.320 0.031 0.000 0.270 234 K C -1.073 175.562 176.600 0.058 0.000 1.011 234 K CA -0.347 56.086 56.287 0.244 0.000 0.953 234 K CB 1.404 34.019 32.500 0.192 0.000 0.956 234 K HN 0.252 nan 8.250 nan 0.000 0.477 235 V N 1.148 121.007 119.914 -0.091 0.000 2.817 235 V HA 0.077 4.216 4.120 0.031 0.000 0.303 235 V C -0.676 175.358 176.094 -0.099 0.000 1.151 235 V CA -0.883 61.378 62.300 -0.065 0.000 0.929 235 V CB 2.087 33.882 31.823 -0.047 0.000 1.030 235 V HN 0.856 nan 8.190 nan 0.000 0.427 236 S N 5.031 120.705 115.700 -0.045 0.000 2.545 236 S HA 0.411 4.900 4.470 0.031 0.000 0.275 236 S C -1.557 173.041 174.600 -0.002 0.000 1.299 236 S CA -1.221 56.967 58.200 -0.021 0.000 1.048 236 S CB 1.533 64.737 63.200 0.007 0.000 0.938 236 S HN 0.591 nan 8.310 nan 0.000 0.496 237 P HA -0.073 nan 4.420 nan 0.000 0.222 237 P C -0.303 177.022 177.300 0.041 0.000 1.142 237 P CA 1.191 64.296 63.100 0.009 0.000 0.788 237 P CB -0.043 31.694 31.700 0.061 0.000 0.767 238 D N -2.026 118.412 120.400 0.064 0.000 2.388 238 D HA 0.040 4.699 4.640 0.031 0.000 0.221 238 D C -0.395 175.936 176.300 0.050 0.000 1.133 238 D CA -0.005 54.035 54.000 0.067 0.000 0.831 238 D CB -0.504 40.340 40.800 0.074 0.000 0.962 238 D HN 0.082 nan 8.370 nan 0.000 0.502 239 D N 1.333 121.754 120.400 0.035 0.000 2.348 239 D HA 0.011 4.670 4.640 0.031 0.000 0.259 239 D C 0.542 176.865 176.300 0.038 0.000 1.296 239 D CA 0.240 54.254 54.000 0.024 0.000 0.931 239 D CB 0.397 41.197 40.800 0.001 0.000 1.067 239 D HN -0.066 nan 8.370 nan 0.000 0.503 240 T N 2.461 117.043 114.554 0.047 0.000 2.923 240 T HA -0.036 4.332 4.350 0.031 0.000 0.320 240 T C -1.443 173.276 174.700 0.032 0.000 1.074 240 T CA -0.897 61.242 62.100 0.065 0.000 1.131 240 T CB 0.761 69.659 68.868 0.050 0.000 1.058 240 T HN 0.102 nan 8.240 nan 0.000 0.535 241 P HA 0.062 nan 4.420 nan 0.000 0.214 241 P C 1.609 178.879 177.300 -0.049 0.000 1.162 241 P CA 1.358 64.433 63.100 -0.041 0.000 0.879 241 P CB -0.346 31.329 31.700 -0.043 0.000 0.786 242 G N -0.023 108.765 108.800 -0.019 0.000 2.462 242 G HA2 -0.242 3.737 3.960 0.031 0.000 0.220 242 G HA3 -0.242 3.737 3.960 0.031 0.000 0.220 242 G C 1.625 176.483 174.900 -0.070 0.000 1.121 242 G CA 0.895 45.972 45.100 -0.039 0.000 0.758 242 G HN 0.329 nan 8.290 nan 0.000 0.559 243 A N 0.938 123.731 122.820 -0.046 0.000 1.930 243 A HA 0.129 4.468 4.320 0.031 0.000 0.217 243 A C 1.976 179.519 177.584 -0.068 0.000 1.175 243 A CA 0.650 52.658 52.037 -0.048 0.000 0.627 243 A CB -0.260 18.730 19.000 -0.017 0.000 0.815 243 A HN 0.369 nan 8.150 nan 0.000 0.443 244 I N -0.100 120.426 120.570 -0.073 0.000 3.472 244 I HA -0.048 4.141 4.170 0.031 0.000 0.313 244 I C 0.886 176.910 176.117 -0.155 0.000 1.173 244 I CA 0.547 61.795 61.300 -0.086 0.000 1.198 244 I CB -0.472 37.470 38.000 -0.095 0.000 0.992 244 I HN 0.345 nan 8.210 nan 0.000 0.538 245 L N -1.050 120.050 121.223 -0.205 0.000 2.718 245 L HA 0.056 4.415 4.340 0.031 0.000 0.247 245 L C 1.694 178.218 176.870 -0.577 0.000 1.028 245 L CA -0.026 54.547 54.840 -0.445 0.000 1.031 245 L CB -0.254 41.529 42.059 -0.461 0.000 1.910 245 L HN 0.044 nan 8.230 nan 0.000 0.526 246 Q N 0.220 119.831 119.800 -0.315 0.000 2.591 246 Q HA -0.050 4.309 4.340 0.031 0.000 0.219 246 Q C 1.322 177.273 176.000 -0.082 0.000 0.981 246 Q CA 0.702 56.402 55.803 -0.172 0.000 0.945 246 Q CB -0.027 28.666 28.738 -0.075 0.000 0.985 246 Q HN 0.223 nan 8.270 nan 0.000 0.542 247 S N -1.197 114.461 115.700 -0.071 0.000 2.843 247 S HA 0.267 4.756 4.470 0.031 0.000 0.249 247 S C -0.010 174.665 174.600 0.125 0.000 1.047 247 S CA -0.564 57.651 58.200 0.024 0.000 1.042 247 S CB -0.017 63.201 63.200 0.029 0.000 0.936 247 S HN 0.322 nan 8.310 nan 0.000 0.531 248 F N 0.017 119.890 119.950 -0.127 0.000 2.964 248 F HA 0.483 5.029 4.527 0.031 0.000 0.371 248 F C -0.090 175.922 175.800 0.354 0.000 1.026 248 F CA -0.279 57.731 58.000 0.018 0.000 1.106 248 F CB 0.731 39.700 39.000 -0.051 0.000 1.135 248 F HN 0.292 nan 8.300 nan 0.000 0.557 249 F N 0.305 120.325 119.950 0.117 0.000 2.735 249 F HA 0.396 4.942 4.527 0.031 0.000 0.304 249 F C 0.159 175.967 175.800 0.014 0.000 1.119 249 F CA -0.136 57.891 58.000 0.044 0.000 1.280 249 F CB 0.470 39.535 39.000 0.109 0.000 0.994 249 F HN -0.232 nan 8.300 nan 0.000 0.520 270 F N 0.911 120.917 119.950 0.095 0.000 2.576 270 F HA 0.657 5.203 4.527 0.031 0.000 0.313 270 F C -0.201 175.635 175.800 0.060 0.000 1.078 270 F CA -1.247 56.803 58.000 0.083 0.000 0.921 270 F CB 2.090 41.169 39.000 0.132 0.000 1.232 270 F HN -0.297 nan 8.300 nan 0.000 0.459 271 V N 3.652 123.705 119.914 0.231 0.000 2.735 271 V HA 0.585 4.724 4.120 0.031 0.000 0.310 271 V C -0.987 175.177 176.094 0.117 0.000 1.061 271 V CA -0.932 61.438 62.300 0.117 0.000 0.913 271 V CB 2.160 34.004 31.823 0.035 0.000 1.005 271 V HN 0.655 nan 8.190 nan 0.000 0.428 272 L N 6.336 127.590 121.223 0.052 0.000 2.360 272 L HA 0.496 4.854 4.340 0.031 0.000 0.276 272 L C 0.529 177.419 176.870 0.033 0.000 1.121 272 L CA 0.216 55.053 54.840 -0.005 0.000 0.845 272 L CB 0.571 42.572 42.059 -0.097 0.000 1.143 272 L HN 0.700 nan 8.230 nan 0.000 0.452 273 R N 2.340 122.831 120.500 -0.014 0.000 2.700 273 R HA 0.703 5.062 4.340 0.031 0.000 0.253 273 R C -0.945 175.214 176.300 -0.236 0.000 1.091 273 R CA -0.660 55.343 56.100 -0.160 0.000 1.104 273 R CB 1.496 31.678 30.300 -0.197 0.000 1.202 273 R HN 0.372 nan 8.270 nan 0.000 0.532 274 V N 0.662 120.363 119.914 -0.355 0.000 2.837 274 V HA 0.274 4.413 4.120 0.031 0.000 0.310 274 V C -0.240 175.675 176.094 -0.298 0.000 1.059 274 V CA -0.839 61.255 62.300 -0.344 0.000 1.004 274 V CB 1.665 33.136 31.823 -0.587 0.000 1.045 274 V HN 0.823 nan 8.190 nan 0.000 0.465 275 C N 3.396 122.569 119.300 -0.213 0.000 2.464 275 C HA 0.578 5.057 4.460 0.031 0.000 0.370 275 C C 1.483 176.377 174.990 -0.160 0.000 1.267 275 C CA 0.902 59.826 59.018 -0.157 0.000 1.781 275 C CB -0.815 26.861 27.740 -0.107 0.000 2.431 275 C HN 1.289 nan 8.230 nan 0.000 0.556 276 G N 4.153 112.860 108.800 -0.156 0.000 2.317 276 G HA2 -0.163 3.815 3.960 0.031 0.000 0.227 276 G HA3 -0.163 3.815 3.960 0.031 0.000 0.227 276 G C 0.167 174.938 174.900 -0.215 0.000 1.042 276 G CA -0.290 44.724 45.100 -0.144 0.000 0.623 276 G HN 0.675 nan 8.290 nan 0.000 0.509 277 R N 0.622 120.929 120.500 -0.322 0.000 2.720 277 R HA 0.457 4.816 4.340 0.031 0.000 0.272 277 R C -1.056 175.016 176.300 -0.379 0.000 0.991 277 R CA -0.796 55.076 56.100 -0.381 0.000 1.010 277 R CB 1.072 31.022 30.300 -0.582 0.000 1.141 277 R HN 0.107 nan 8.270 nan 0.000 0.494 278 D N 1.910 122.115 120.400 -0.325 0.000 2.845 278 D HA 0.051 4.710 4.640 0.031 0.000 0.235 278 D C -0.870 175.231 176.300 -0.330 0.000 1.158 278 D CA 0.354 54.165 54.000 -0.315 0.000 0.990 278 D CB 0.312 41.013 40.800 -0.165 0.000 1.094 278 D HN 0.327 nan 8.370 nan 0.000 0.486 279 E N 1.258 121.128 120.200 -0.549 0.000 2.343 279 E HA 0.181 4.550 4.350 0.031 0.000 0.260 279 E C -1.422 174.865 176.600 -0.521 0.000 0.908 279 E CA -0.538 55.609 56.400 -0.420 0.000 0.814 279 E CB 0.682 30.184 29.700 -0.329 0.000 1.302 279 E HN 0.106 nan 8.360 nan 0.000 0.408 280 Y N 2.597 122.776 120.300 -0.201 0.000 2.354 280 Y HA 0.388 4.957 4.550 0.031 0.000 0.322 280 Y C 0.268 176.125 175.900 -0.072 0.000 1.253 280 Y CA -0.945 57.067 58.100 -0.147 0.000 1.272 280 Y CB 0.845 39.214 38.460 -0.151 0.000 1.255 280 Y HN 0.391 nan 8.280 nan 0.000 0.500 281 L N 2.985 124.203 121.223 -0.007 0.000 2.828 281 L HA 0.299 4.658 4.340 0.031 0.000 0.233 281 L C -0.330 176.487 176.870 -0.089 0.000 1.250 281 L CA -0.148 54.505 54.840 -0.311 0.000 1.125 281 L CB -0.541 41.112 42.059 -0.676 0.000 1.432 281 L HN 0.407 nan 8.230 nan 0.000 0.444 282 V N -0.620 119.425 119.914 0.217 0.000 3.513 282 V HA 0.899 5.038 4.120 0.031 0.000 0.297 282 V C 0.918 177.184 176.094 0.288 0.000 1.058 282 V CA -0.299 62.103 62.300 0.170 0.000 1.003 282 V CB 0.944 32.819 31.823 0.087 0.000 1.236 282 V HN 0.657 nan 8.190 nan 0.000 0.436 283 G N 0.680 109.579 108.800 0.165 0.000 2.787 283 G HA2 -0.129 3.849 3.960 0.031 0.000 0.685 283 G HA3 -0.129 3.849 3.960 0.031 0.000 0.685 283 G C -0.449 174.542 174.900 0.152 0.000 1.437 283 G CA -0.558 44.628 45.100 0.143 0.000 0.872 283 G HN 0.694 nan 8.290 nan 0.000 0.566 284 E N 1.322 121.577 120.200 0.092 0.000 1.972 284 E HA 0.347 4.716 4.350 0.031 0.000 0.292 284 E C 0.377 177.017 176.600 0.067 0.000 1.193 284 E CA 0.507 56.952 56.400 0.076 0.000 1.228 284 E CB -0.103 29.625 29.700 0.047 0.000 1.167 284 E HN 0.547 nan 8.360 nan 0.000 0.479 285 T N 2.058 116.679 114.554 0.113 0.000 2.909 285 T HA 0.391 4.760 4.350 0.031 0.000 0.299 285 T C -2.650 172.153 174.700 0.172 0.000 1.073 285 T CA -1.613 60.521 62.100 0.058 0.000 0.999 285 T CB 2.422 71.191 68.868 -0.165 0.000 1.098 285 T HN 0.069 nan 8.240 nan 0.000 0.477 286 P HA 0.245 nan 4.420 nan 0.000 0.275 286 P C 1.241 178.690 177.300 0.249 0.000 1.227 286 P CA -0.552 62.634 63.100 0.143 0.000 0.781 286 P CB 0.525 32.274 31.700 0.081 0.000 0.906 287 I N 1.437 122.155 120.570 0.247 0.000 2.194 287 I HA -0.305 3.884 4.170 0.031 0.000 0.246 287 I C 2.232 178.470 176.117 0.201 0.000 1.093 287 I CA 1.630 63.094 61.300 0.275 0.000 1.355 287 I CB -1.041 36.985 38.000 0.043 0.000 1.046 287 I HN 0.297 nan 8.210 nan 0.000 0.413 288 K N 1.078 121.508 120.400 0.049 0.000 2.277 288 K HA -0.274 4.065 4.320 0.031 0.000 0.206 288 K C 0.870 177.443 176.600 -0.045 0.000 1.044 288 K CA 2.347 58.594 56.287 -0.067 0.000 0.932 288 K CB -0.313 32.139 32.500 -0.080 0.000 0.726 288 K HN 0.482 nan 8.250 nan 0.000 0.473 289 N N -0.764 117.959 118.700 0.038 0.000 2.187 289 N HA 0.127 4.886 4.740 0.031 0.000 0.212 289 N C -1.059 174.361 175.510 -0.151 0.000 1.152 289 N CA 0.032 53.041 53.050 -0.069 0.000 0.872 289 N CB 0.380 38.805 38.487 -0.103 0.000 1.025 289 N HN -0.018 nan 8.380 nan 0.000 0.514 290 F N 1.137 121.053 119.950 -0.057 0.000 2.404 290 F HA 0.265 4.811 4.527 0.032 0.000 0.345 290 F C 1.800 177.525 175.800 -0.126 0.000 1.110 290 F CA -0.572 57.403 58.000 -0.042 0.000 1.130 290 F CB 1.309 40.328 39.000 0.031 0.000 1.129 290 F HN -0.148 nan 8.300 nan 0.000 0.500 291 Q N 3.024 122.733 119.800 -0.152 0.000 2.084 291 Q HA -0.251 4.108 4.340 0.031 0.000 0.202 291 Q C 2.220 178.119 176.000 -0.169 0.000 0.978 291 Q CA 1.463 56.993 55.803 -0.456 0.000 0.844 291 Q CB -0.456 27.392 28.738 -1.484 0.000 0.898 291 Q HN 0.887 nan 8.270 nan 0.000 0.426 292 W N 1.161 122.381 121.300 -0.134 0.000 2.333 292 W HA -0.222 4.457 4.660 0.031 0.000 0.316 292 W C 1.875 178.431 176.519 0.061 0.000 1.215 292 W CA 1.540 58.897 57.345 0.021 0.000 1.278 292 W CB -0.103 29.400 29.460 0.070 0.000 1.154 292 W HN -0.050 nan 8.180 nan 0.000 0.486 293 V N 1.949 121.928 119.914 0.108 0.000 2.231 293 V HA -0.378 3.760 4.120 0.031 0.000 0.250 293 V C 2.472 178.474 176.094 -0.152 0.000 1.058 293 V CA 2.621 64.896 62.300 -0.041 0.000 1.022 293 V CB -1.112 30.732 31.823 0.035 0.000 0.640 293 V HN 0.218 nan 8.190 nan 0.000 0.445 294 R N -0.676 119.749 120.500 -0.125 0.000 2.241 294 R HA -0.193 4.166 4.340 0.031 0.000 0.224 294 R C 2.186 178.387 176.300 -0.165 0.000 1.101 294 R CA 1.589 57.590 56.100 -0.164 0.000 0.995 294 R CB -0.531 29.672 30.300 -0.162 0.000 0.870 294 R HN 0.790 nan 8.270 nan 0.000 0.463 295 H N -0.241 118.643 119.070 -0.310 0.000 2.431 295 H HA 0.024 4.599 4.556 0.031 0.000 0.295 295 H C 1.840 176.917 175.328 -0.418 0.000 1.038 295 H CA 1.183 57.009 56.048 -0.371 0.000 1.360 295 H CB -0.108 29.356 29.762 -0.498 0.000 1.433 295 H HN 0.089 nan 8.280 nan 0.000 0.536 296 C N 0.792 119.648 119.300 -0.742 0.000 2.473 296 C HA -0.064 4.414 4.460 0.031 0.000 0.279 296 C C 2.850 177.614 174.990 -0.376 0.000 1.250 296 C CA 0.891 59.533 59.018 -0.626 0.000 1.713 296 C CB -1.198 26.295 27.740 -0.413 0.000 2.066 296 C HN 0.581 nan 8.230 nan 0.000 0.474 297 L N 1.242 122.307 121.223 -0.264 0.000 2.034 297 L HA -0.296 4.063 4.340 0.031 0.000 0.217 297 L C 2.681 179.469 176.870 -0.137 0.000 1.077 297 L CA 2.025 56.761 54.840 -0.174 0.000 0.769 297 L CB -0.988 40.964 42.059 -0.179 0.000 0.890 297 L HN 0.444 nan 8.230 nan 0.000 0.435 298 K N 0.352 120.659 120.400 -0.156 0.000 2.009 298 K HA -0.161 4.177 4.320 0.031 0.000 0.210 298 K C 1.472 178.009 176.600 -0.105 0.000 1.049 298 K CA 1.775 58.020 56.287 -0.071 0.000 0.929 298 K CB -0.026 32.441 32.500 -0.056 0.000 0.714 298 K HN 0.413 nan 8.250 nan 0.000 0.440 299 N N -0.224 118.349 118.700 -0.211 0.000 2.270 299 N HA 0.036 4.794 4.740 0.031 0.000 0.198 299 N C -0.105 175.321 175.510 -0.140 0.000 1.117 299 N CA 0.739 53.692 53.050 -0.162 0.000 0.845 299 N CB 1.078 39.444 38.487 -0.200 0.000 0.980 299 N HN 0.391 nan 8.380 nan 0.000 0.486 300 G N 1.953 110.665 108.800 -0.147 0.000 2.392 300 G HA2 -0.254 3.725 3.960 0.031 0.000 0.290 300 G HA3 -0.254 3.725 3.960 0.031 0.000 0.290 300 G C -0.408 174.436 174.900 -0.094 0.000 1.032 300 G CA 0.260 45.304 45.100 -0.093 0.000 1.269 300 G HN 0.390 nan 8.290 nan 0.000 0.511 301 E N -0.130 119.985 120.200 -0.142 0.000 2.370 301 E HA 0.591 4.960 4.350 0.031 0.000 0.259 301 E C 0.372 176.948 176.600 -0.040 0.000 0.947 301 E CA -0.939 55.404 56.400 -0.095 0.000 0.809 301 E CB 1.114 30.730 29.700 -0.140 0.000 1.300 301 E HN 0.590 nan 8.360 nan 0.000 0.419 302 E N 0.787 121.007 120.200 0.034 0.000 2.283 302 E HA 0.362 4.731 4.350 0.031 0.000 0.271 302 E C -0.386 176.360 176.600 0.243 0.000 1.031 302 E CA -0.466 56.030 56.400 0.160 0.000 0.868 302 E CB 1.070 30.949 29.700 0.299 0.000 1.094 302 E HN 0.335 nan 8.360 nan 0.000 0.401 303 I N 2.738 123.461 120.570 0.255 0.000 2.287 303 I HA 0.130 4.319 4.170 0.031 0.000 0.290 303 I C -0.653 175.620 176.117 0.260 0.000 1.069 303 I CA -0.535 60.912 61.300 0.246 0.000 1.237 303 I CB -0.100 37.975 38.000 0.125 0.000 1.418 303 I HN 0.353 nan 8.210 nan 0.000 0.481 304 H N 4.828 123.936 119.070 0.062 0.000 2.541 304 H HA 0.507 5.082 4.556 0.031 0.000 0.316 304 H C -0.527 174.674 175.328 -0.211 0.000 1.043 304 H CA -0.436 55.538 56.048 -0.124 0.000 1.232 304 H CB 1.498 31.144 29.762 -0.192 0.000 1.406 304 H HN 0.207 nan 8.280 nan 0.000 0.469 305 V N 3.960 123.742 119.914 -0.221 0.000 2.628 305 V HA 0.230 4.368 4.120 0.031 0.000 0.306 305 V C -0.415 175.549 176.094 -0.217 0.000 1.045 305 V CA -0.958 61.226 62.300 -0.195 0.000 0.905 305 V CB 2.436 34.169 31.823 -0.152 0.000 0.997 305 V HN 0.524 nan 8.190 nan 0.000 0.436 306 V N 6.967 126.790 119.914 -0.152 0.000 2.333 306 V HA 0.462 4.601 4.120 0.031 0.000 0.274 306 V C 0.004 176.065 176.094 -0.055 0.000 1.028 306 V CA -0.417 61.842 62.300 -0.069 0.000 0.851 306 V CB 1.052 32.847 31.823 -0.047 0.000 1.000 306 V HN 0.801 nan 8.190 nan 0.000 0.456 307 L N 8.563 129.751 121.223 -0.059 0.000 2.623 307 L HA 0.314 4.673 4.340 0.031 0.000 0.281 307 L C -0.041 176.796 176.870 -0.055 0.000 1.150 307 L CA 0.447 55.253 54.840 -0.057 0.000 0.965 307 L CB -0.394 41.612 42.059 -0.088 0.000 1.303 307 L HN 0.951 nan 8.230 nan 0.000 0.467 308 D N 1.774 122.182 120.400 0.012 0.000 2.837 308 D HA 0.319 4.978 4.640 0.031 0.000 0.294 308 D C -0.760 175.634 176.300 0.155 0.000 1.158 308 D CA -0.565 53.452 54.000 0.027 0.000 1.073 308 D CB 1.171 41.987 40.800 0.028 0.000 1.419 308 D HN 0.150 nan 8.370 nan 0.000 0.584 309 T N 1.172 115.822 114.554 0.161 0.000 2.799 309 T HA 0.528 4.897 4.350 0.031 0.000 0.286 309 T C -2.361 172.405 174.700 0.110 0.000 0.973 309 T CA -0.791 61.437 62.100 0.214 0.000 1.035 309 T CB 1.127 70.108 68.868 0.188 0.000 0.932 309 T HN 0.209 nan 8.240 nan 0.000 0.469 310 P HA 0.143 nan 4.420 nan 0.000 0.265 310 P C -2.115 175.133 177.300 -0.087 0.000 1.187 310 P CA -0.953 62.094 63.100 -0.088 0.000 0.766 310 P CB -0.282 31.365 31.700 -0.088 0.000 0.820 311 P HA 0.082 nan 4.420 nan 0.000 0.273 311 P C -0.710 176.542 177.300 -0.081 0.000 1.250 311 P CA 0.132 63.173 63.100 -0.098 0.000 0.793 311 P CB 0.534 32.160 31.700 -0.125 0.000 1.011 312 D N 0.404 120.774 120.400 -0.050 0.000 2.427 312 D HA 0.246 4.905 4.640 0.031 0.000 0.226 312 D C -1.691 174.592 176.300 -0.029 0.000 1.076 312 D CA -2.488 51.490 54.000 -0.037 0.000 0.849 312 D CB 0.718 41.502 40.800 -0.026 0.000 1.052 312 D HN 0.001 nan 8.370 nan 0.000 0.515 313 P HA -0.187 nan 4.420 nan 0.000 0.217 313 P C 1.111 178.416 177.300 0.008 0.000 1.148 313 P CA 1.360 64.463 63.100 0.006 0.000 0.834 313 P CB 0.174 31.882 31.700 0.013 0.000 0.783 314 A N -0.609 122.207 122.820 -0.006 0.000 2.009 314 A HA -0.231 4.108 4.320 0.031 0.000 0.222 314 A C 2.067 179.644 177.584 -0.011 0.000 1.175 314 A CA 1.795 53.826 52.037 -0.010 0.000 0.651 314 A CB -1.720 17.270 19.000 -0.017 0.000 0.815 314 A HN 0.219 nan 8.150 nan 0.000 0.459 315 L N -1.145 120.070 121.223 -0.014 0.000 2.418 315 L HA -0.017 4.341 4.340 0.031 0.000 0.218 315 L C 1.229 178.096 176.870 -0.006 0.000 1.125 315 L CA 0.593 55.420 54.840 -0.021 0.000 0.835 315 L CB -0.187 41.852 42.059 -0.033 0.000 0.953 315 L HN 0.253 nan 8.230 nan 0.000 0.454 316 D N -0.190 120.222 120.400 0.021 0.000 2.350 316 D HA -0.058 4.601 4.640 0.031 0.000 0.213 316 D C 0.900 177.240 176.300 0.068 0.000 1.031 316 D CA 0.144 54.186 54.000 0.070 0.000 0.861 316 D CB 0.237 41.130 40.800 0.156 0.000 0.926 316 D HN 0.331 nan 8.370 nan 0.000 0.520 317 E N 1.392 121.609 120.200 0.028 0.000 2.604 317 E HA -0.088 4.281 4.350 0.031 0.000 0.267 317 E C -0.529 176.067 176.600 -0.007 0.000 0.970 317 E CA 0.364 56.766 56.400 0.004 0.000 0.956 317 E CB 0.831 30.523 29.700 -0.014 0.000 0.939 317 E HN -0.210 nan 8.360 nan 0.000 0.465 318 V N 4.332 124.233 119.914 -0.022 0.000 2.612 318 V HA 0.272 4.411 4.120 0.031 0.000 0.301 318 V C 0.708 176.757 176.094 -0.075 0.000 1.046 318 V CA -0.657 61.622 62.300 -0.036 0.000 0.946 318 V CB 1.374 33.179 31.823 -0.031 0.000 1.003 318 V HN 0.830 nan 8.190 nan 0.000 0.459 319 R N 2.539 122.962 120.500 -0.128 0.000 2.873 319 R HA 0.062 4.420 4.340 0.031 0.000 0.267 319 R C -0.518 175.701 176.300 -0.136 0.000 1.009 319 R CA 0.113 56.088 56.100 -0.208 0.000 1.152 319 R CB 0.276 30.300 30.300 -0.460 0.000 1.047 319 R HN 0.623 nan 8.270 nan 0.000 0.470 320 K N 2.211 122.533 120.400 -0.131 0.000 2.234 320 K HA 0.219 4.558 4.320 0.031 0.000 0.282 320 K C -0.541 176.023 176.600 -0.060 0.000 1.039 320 K CA -0.345 55.895 56.287 -0.080 0.000 0.928 320 K CB 1.224 33.683 32.500 -0.070 0.000 1.039 320 K HN 0.443 nan 8.250 nan 0.000 0.470 321 E N 2.049 122.228 120.200 -0.036 0.000 2.239 321 E HA 0.230 4.598 4.350 0.031 0.000 0.261 321 E C -0.336 176.256 176.600 -0.014 0.000 1.016 321 E CA -0.732 55.658 56.400 -0.017 0.000 0.882 321 E CB 1.283 30.979 29.700 -0.007 0.000 1.190 321 E HN 0.486 nan 8.360 nan 0.000 0.415 352 V N 2.845 122.784 119.914 0.042 0.000 2.350 352 V HA 0.588 4.727 4.120 0.031 0.000 0.276 352 V C 0.983 177.080 176.094 0.004 0.000 1.028 352 V CA -0.780 61.543 62.300 0.038 0.000 0.860 352 V CB 1.176 33.051 31.823 0.086 0.000 0.990 352 V HN 1.059 nan 8.190 nan 0.000 0.453 353 S N 4.843 120.526 115.700 -0.030 0.000 2.573 353 S HA 0.146 4.635 4.470 0.031 0.000 0.277 353 S C 1.015 175.570 174.600 -0.075 0.000 1.346 353 S CA -0.058 58.084 58.200 -0.098 0.000 1.034 353 S CB 0.734 63.853 63.200 -0.135 0.000 0.879 353 S HN 0.766 nan 8.310 nan 0.000 0.528 354 L N 2.402 123.533 121.223 -0.153 0.000 2.217 354 L HA 0.189 4.548 4.340 0.031 0.000 0.211 354 L C 1.030 177.988 176.870 0.146 0.000 1.107 354 L CA 0.866 55.682 54.840 -0.041 0.000 0.783 354 L CB -0.239 41.781 42.059 -0.065 0.000 0.919 354 L HN 0.791 nan 8.230 nan 0.000 0.442 355 W N 0.332 121.639 121.300 0.011 0.000 3.434 355 W HA 0.153 4.833 4.660 0.034 0.000 0.297 355 W C 1.022 177.543 176.519 0.003 0.000 1.295 355 W CA -0.385 56.962 57.345 0.003 0.000 1.731 355 W CB -0.692 28.770 29.460 0.004 0.000 1.070 355 W HN 0.291 nan 8.180 nan 0.000 0.726 356 D N -0.938 119.566 120.400 0.174 0.000 2.388 356 D HA 0.040 4.699 4.640 0.031 0.000 0.208 356 D C 0.300 176.645 176.300 0.074 0.000 1.035 356 D CA 0.610 54.672 54.000 0.104 0.000 0.875 356 D CB 0.240 41.079 40.800 0.065 0.000 0.984 356 D HN -0.132 nan 8.370 nan 0.000 0.508 357 C N 1.207 120.552 119.300 0.075 0.000 2.319 357 C HA 0.489 4.968 4.460 0.031 0.000 0.335 357 C C 0.661 175.678 174.990 0.045 0.000 1.274 357 C CA -0.883 58.155 59.018 0.034 0.000 1.806 357 C CB 1.246 28.986 27.740 0.000 0.000 2.329 357 C HN 0.081 nan 8.230 nan 0.000 0.524 358 D N -0.320 120.093 120.400 0.022 0.000 2.500 358 D HA 0.094 4.753 4.640 0.031 0.000 0.217 358 D C 0.696 177.005 176.300 0.015 0.000 1.159 358 D CA -0.015 53.998 54.000 0.022 0.000 0.828 358 D CB 0.135 40.943 40.800 0.013 0.000 1.039 358 D HN 0.514 nan 8.370 nan 0.000 0.512 359 R N 1.622 122.124 120.500 0.004 0.000 2.438 359 R HA 0.160 4.519 4.340 0.031 0.000 0.287 359 R C -0.077 176.244 176.300 0.035 0.000 1.077 359 R CA -0.407 55.689 56.100 -0.008 0.000 1.034 359 R CB 0.557 30.826 30.300 -0.053 0.000 0.993 359 R HN -0.194 nan 8.270 nan 0.000 0.459 360 K N 4.257 124.682 120.400 0.042 0.000 2.473 360 K HA -0.153 4.186 4.320 0.031 0.000 0.277 360 K C 0.006 176.696 176.600 0.151 0.000 1.052 360 K CA 0.470 56.822 56.287 0.108 0.000 1.114 360 K CB 0.063 32.614 32.500 0.085 0.000 0.869 360 K HN 0.389 nan 8.250 nan 0.000 0.481 361 F N 4.826 124.843 119.950 0.111 0.000 2.607 361 F HA -0.061 4.485 4.527 0.032 0.000 0.374 361 F C 0.544 176.529 175.800 0.308 0.000 1.104 361 F CA 0.240 58.334 58.000 0.156 0.000 1.296 361 F CB 0.486 39.555 39.000 0.116 0.000 1.085 361 F HN 0.521 nan 8.300 nan 0.000 0.584 362 R N 5.063 125.096 120.500 -0.778 0.000 2.740 362 R HA 0.812 5.171 4.340 0.031 0.000 0.273 362 R C -2.340 173.696 176.300 -0.439 0.000 0.998 362 R CA -1.201 54.680 56.100 -0.365 0.000 0.900 362 R CB 1.780 31.999 30.300 -0.135 0.000 1.223 362 R HN 0.597 nan 8.270 nan 0.000 0.466 363 V N 1.813 121.728 119.914 0.001 0.000 2.686 363 V HA 0.401 4.540 4.120 0.031 0.000 0.306 363 V C -0.988 175.068 176.094 -0.063 0.000 1.065 363 V CA -0.908 61.441 62.300 0.082 0.000 0.894 363 V CB 2.038 33.973 31.823 0.187 0.000 1.004 363 V HN 0.870 nan 8.190 nan 0.000 0.424 364 K N 6.849 126.924 120.400 -0.541 0.000 2.234 364 K HA 0.462 4.801 4.320 0.031 0.000 0.282 364 K C -0.508 175.779 176.600 -0.522 0.000 1.039 364 K CA -0.613 55.013 56.287 -1.101 0.000 0.928 364 K CB 0.781 31.963 32.500 -2.197 0.000 1.039 364 K HN 0.604 nan 8.250 nan 0.000 0.470 365 I N 5.369 125.703 120.570 -0.393 0.000 2.474 365 I HA 0.117 4.306 4.170 0.031 0.000 0.287 365 I C 1.416 177.423 176.117 -0.183 0.000 1.048 365 I CA -0.002 61.157 61.300 -0.235 0.000 1.383 365 I CB 1.136 38.999 38.000 -0.228 0.000 1.412 365 I HN 0.796 nan 8.210 nan 0.000 0.531 366 R N 3.537 123.975 120.500 -0.104 0.000 2.128 366 R HA 0.352 4.711 4.340 0.031 0.000 0.211 366 R C 0.786 177.122 176.300 0.059 0.000 1.067 366 R CA 0.532 56.604 56.100 -0.047 0.000 1.010 366 R CB 0.315 30.580 30.300 -0.057 0.000 0.922 366 R HN 0.899 nan 8.270 nan 0.000 0.457 367 G N 1.482 110.339 108.800 0.095 0.000 2.354 367 G HA2 0.018 3.997 3.960 0.031 0.000 0.582 367 G HA3 0.018 3.997 3.960 0.031 0.000 0.582 367 G C -0.800 174.151 174.900 0.085 0.000 1.316 367 G CA -0.483 44.754 45.100 0.229 0.000 0.995 367 G HN 0.189 nan 8.290 nan 0.000 0.573 368 I N -2.300 118.327 120.570 0.095 0.000 3.237 368 I HA 0.979 5.168 4.170 0.031 0.000 0.308 368 I C -1.177 174.906 176.117 -0.057 0.000 1.093 368 I CA -0.884 60.404 61.300 -0.020 0.000 1.001 368 I CB 2.618 40.599 38.000 -0.031 0.000 1.245 368 I HN 0.773 nan 8.210 nan 0.000 0.485 369 D N 2.456 122.798 120.400 -0.097 0.000 2.871 369 D HA 0.266 4.924 4.640 0.031 0.000 0.209 369 D C -1.677 174.573 176.300 -0.084 0.000 1.292 369 D CA -0.227 53.727 54.000 -0.076 0.000 0.869 369 D CB 2.309 43.067 40.800 -0.070 0.000 1.663 369 D HN 0.534 nan 8.370 nan 0.000 0.557 370 I N 2.885 123.435 120.570 -0.034 0.000 2.410 370 I HA 0.303 4.492 4.170 0.031 0.000 0.286 370 I C -2.395 173.725 176.117 0.004 0.000 1.009 370 I CA -2.727 58.555 61.300 -0.031 0.000 1.111 370 I CB 1.998 40.003 38.000 0.008 0.000 1.262 370 I HN 0.141 nan 8.210 nan 0.000 0.443 371 P HA 0.115 nan 4.420 nan 0.000 0.269 371 P C -0.679 176.627 177.300 0.010 0.000 1.601 371 P CA 0.402 63.505 63.100 0.006 0.000 0.831 371 P CB -0.165 31.539 31.700 0.006 0.000 1.688 372 V N -0.297 119.628 119.914 0.017 0.000 3.127 372 V HA 0.081 4.219 4.120 0.031 0.000 0.236 372 V C -1.179 174.925 176.094 0.018 0.000 1.798 372 V CA -0.643 61.667 62.300 0.017 0.000 0.840 372 V CB -0.006 31.825 31.823 0.013 0.000 1.177 372 V HN -0.007 nan 8.190 nan 0.000 0.520 380 T N 1.014 115.727 114.554 0.265 0.000 2.902 380 T HA 0.758 5.127 4.350 0.031 0.000 0.280 380 T C -0.907 173.974 174.700 0.301 0.000 0.992 380 T CA -0.344 61.903 62.100 0.245 0.000 1.015 380 T CB 1.488 70.480 68.868 0.207 0.000 1.044 380 T HN 0.493 nan 8.240 nan 0.000 0.520 381 V N 5.556 125.602 119.914 0.219 0.000 2.697 381 V HA 0.634 4.773 4.120 0.031 0.000 0.296 381 V C -1.422 174.870 176.094 0.329 0.000 1.140 381 V CA -0.888 61.492 62.300 0.133 0.000 0.921 381 V CB 0.990 32.571 31.823 -0.404 0.000 1.036 381 V HN 0.879 nan 8.190 nan 0.000 0.438 382 F N 5.586 125.679 119.950 0.238 0.000 2.556 382 F HA 0.940 5.486 4.527 0.031 0.000 0.327 382 F C -0.781 175.015 175.800 -0.007 0.000 1.059 382 F CA -1.219 56.876 58.000 0.158 0.000 0.953 382 F CB 1.753 40.831 39.000 0.131 0.000 1.227 382 F HN 0.246 nan 8.300 nan 0.000 0.478 383 V N 1.447 121.299 119.914 -0.104 0.000 2.439 383 V HA 0.311 4.450 4.120 0.031 0.000 0.282 383 V C -0.478 175.693 176.094 0.129 0.000 1.039 383 V CA -0.584 61.623 62.300 -0.154 0.000 0.913 383 V CB 1.272 32.830 31.823 -0.441 0.000 0.983 383 V HN 0.880 nan 8.190 nan 0.000 0.460 384 E N 3.026 123.343 120.200 0.195 0.000 2.158 384 E HA 0.698 5.067 4.350 0.031 0.000 0.271 384 E C -0.636 176.083 176.600 0.198 0.000 0.911 384 E CA -0.688 55.895 56.400 0.304 0.000 0.767 384 E CB 1.625 31.640 29.700 0.526 0.000 1.120 384 E HN 0.790 nan 8.360 nan 0.000 0.405 385 A N 5.399 128.348 122.820 0.216 0.000 2.802 385 A HA 0.313 4.652 4.320 0.031 0.000 0.344 385 A C -0.738 177.077 177.584 0.386 0.000 1.215 385 A CA -0.825 51.382 52.037 0.282 0.000 0.821 385 A CB 0.138 19.324 19.000 0.310 0.000 1.099 385 A HN 0.613 nan 8.150 nan 0.000 0.479 386 N N 1.393 120.229 118.700 0.227 0.000 2.524 386 N HA 0.396 5.155 4.740 0.031 0.000 0.283 386 N C -0.675 174.818 175.510 -0.027 0.000 1.142 386 N CA 0.013 53.146 53.050 0.138 0.000 0.984 386 N CB 1.621 40.181 38.487 0.122 0.000 1.155 386 N HN 0.478 nan 8.380 nan 0.000 0.467 387 I N 1.914 122.385 120.570 -0.165 0.000 2.355 387 I HA 0.193 4.382 4.170 0.031 0.000 0.288 387 I C 0.089 176.121 176.117 -0.142 0.000 0.999 387 I CA -0.385 60.752 61.300 -0.273 0.000 1.163 387 I CB 1.120 38.811 38.000 -0.515 0.000 1.316 387 I HN 0.250 nan 8.210 nan 0.000 0.454 388 Q N 4.733 124.472 119.800 -0.102 0.000 2.351 388 Q HA 0.518 4.877 4.340 0.031 0.000 0.273 388 Q C -0.888 175.102 176.000 -0.016 0.000 1.077 388 Q CA -0.814 54.956 55.803 -0.055 0.000 0.843 388 Q CB 3.098 31.804 28.738 -0.053 0.000 1.367 388 Q HN 0.518 nan 8.270 nan 0.000 0.449 389 H N -0.768 118.220 119.070 -0.137 0.000 2.966 389 H HA 0.217 4.791 4.556 0.031 0.000 0.347 389 H C -0.039 175.158 175.328 -0.218 0.000 1.048 389 H CA 0.425 56.366 56.048 -0.179 0.000 1.295 389 H CB 1.598 31.275 29.762 -0.142 0.000 1.744 389 H HN 0.926 nan 8.280 nan 0.000 0.513 390 G N 3.915 112.366 108.800 -0.582 0.000 2.422 390 G HA2 -0.379 3.600 3.960 0.031 0.000 0.301 390 G HA3 -0.379 3.600 3.960 0.031 0.000 0.301 390 G C 0.566 175.243 174.900 -0.370 0.000 0.981 390 G CA 1.687 46.479 45.100 -0.512 0.000 0.994 390 G HN 0.901 nan 8.290 nan 0.000 0.514 391 Q N -2.873 116.745 119.800 -0.303 0.000 2.324 391 Q HA -0.224 4.135 4.340 0.031 0.000 0.200 391 Q C 0.780 176.647 176.000 -0.221 0.000 0.645 391 Q CA 2.258 57.869 55.803 -0.319 0.000 1.377 391 Q CB -1.228 27.250 28.738 -0.433 0.000 1.486 391 Q HN 0.886 nan 8.270 nan 0.000 0.796 392 Q N 0.046 119.763 119.800 -0.137 0.000 2.352 392 Q HA 0.396 4.755 4.340 0.031 0.000 0.260 392 Q C -0.845 175.135 176.000 -0.034 0.000 0.976 392 Q CA 0.231 56.005 55.803 -0.049 0.000 0.881 392 Q CB 1.139 29.910 28.738 0.055 0.000 1.235 392 Q HN 0.107 nan 8.270 nan 0.000 0.419 393 V N 5.553 125.453 119.914 -0.023 0.000 2.328 393 V HA 0.130 4.269 4.120 0.031 0.000 0.278 393 V C 0.904 176.995 176.094 -0.006 0.000 1.021 393 V CA -0.168 62.126 62.300 -0.009 0.000 0.838 393 V CB 0.821 32.652 31.823 0.013 0.000 0.999 393 V HN 0.793 nan 8.190 nan 0.000 0.447 394 L N 3.168 124.378 121.223 -0.023 0.000 1.972 394 L HA 0.125 4.484 4.340 0.031 0.000 0.209 394 L C 1.359 178.226 176.870 -0.005 0.000 1.125 394 L CA 0.940 55.762 54.840 -0.030 0.000 0.784 394 L CB -0.219 41.797 42.059 -0.072 0.000 0.902 394 L HN 0.638 nan 8.230 nan 0.000 0.444 395 C N -0.794 118.498 119.300 -0.012 0.000 2.328 395 C HA 0.517 4.996 4.460 0.031 0.000 0.378 395 C C -0.147 174.949 174.990 0.176 0.000 1.249 395 C CA -0.252 58.832 59.018 0.109 0.000 2.204 395 C CB 1.363 29.250 27.740 0.245 0.000 2.218 395 C HN 0.587 nan 8.230 nan 0.000 0.564 396 Q N 2.537 122.509 119.800 0.286 0.000 2.352 396 Q HA 0.545 4.904 4.340 0.031 0.000 0.270 396 Q C -1.419 174.724 176.000 0.238 0.000 1.006 396 Q CA -0.573 55.407 55.803 0.295 0.000 0.880 396 Q CB 1.361 30.198 28.738 0.165 0.000 1.392 396 Q HN 0.838 nan 8.270 nan 0.000 0.401 397 R N 1.703 122.331 120.500 0.214 0.000 2.885 397 R HA 0.700 5.059 4.340 0.031 0.000 0.260 397 R C -0.441 175.874 176.300 0.026 0.000 1.107 397 R CA -0.643 55.464 56.100 0.012 0.000 0.978 397 R CB 1.934 32.100 30.300 -0.222 0.000 1.227 397 R HN 0.810 nan 8.270 nan 0.000 0.473 398 R N -0.663 119.806 120.500 -0.051 0.000 3.278 398 R HA 0.527 4.886 4.340 0.031 0.000 0.256 398 R C -0.711 175.506 176.300 -0.138 0.000 1.230 398 R CA -0.727 55.350 56.100 -0.039 0.000 1.006 398 R CB 1.303 31.549 30.300 -0.090 0.000 1.440 398 R HN 0.792 nan 8.270 nan 0.000 0.449 399 T N -1.567 112.896 114.554 -0.151 0.000 2.903 399 T HA 0.335 4.704 4.350 0.031 0.000 0.299 399 T C -0.199 174.547 174.700 0.077 0.000 1.093 399 T CA -0.906 61.069 62.100 -0.209 0.000 1.002 399 T CB 1.557 69.866 68.868 -0.931 0.000 1.127 399 T HN 0.648 nan 8.240 nan 0.000 0.488 400 S N 2.134 117.979 115.700 0.240 0.000 2.593 400 S HA 0.112 4.601 4.470 0.031 0.000 0.303 400 S C -2.143 172.754 174.600 0.495 0.000 1.267 400 S CA -0.440 57.950 58.200 0.316 0.000 1.047 400 S CB -0.860 62.528 63.200 0.313 0.000 0.777 400 S HN 0.678 nan 8.310 nan 0.000 0.498 401 P HA 0.432 nan 4.420 nan 0.000 0.302 401 P C -0.192 177.266 177.300 0.263 0.000 1.301 401 P CA -0.127 63.190 63.100 0.363 0.000 0.770 401 P CB 0.248 32.087 31.700 0.233 0.000 1.458 402 K N -2.962 117.518 120.400 0.133 0.000 2.894 402 K HA 0.342 4.681 4.320 0.031 0.000 0.293 402 K C -3.037 173.561 176.600 -0.004 0.000 1.091 402 K CA -1.273 54.987 56.287 -0.045 0.000 0.865 402 K CB -0.061 32.268 32.500 -0.286 0.000 1.441 402 K HN 0.034 nan 8.250 nan 0.000 0.361 403 P HA 0.191 nan 4.420 nan 0.000 0.276 403 P C -0.841 176.482 177.300 0.039 0.000 1.230 403 P CA -0.186 62.932 63.100 0.030 0.000 0.776 403 P CB 0.214 31.918 31.700 0.007 0.000 0.888 404 F N 4.139 124.099 119.950 0.018 0.000 2.464 404 F HA 0.252 4.798 4.527 0.031 0.000 0.353 404 F C 0.539 176.342 175.800 0.004 0.000 1.191 404 F CA 0.349 58.364 58.000 0.025 0.000 1.147 404 F CB -0.533 38.497 39.000 0.050 0.000 1.294 404 F HN 0.194 nan 8.300 nan 0.000 0.583 405 T N 1.067 115.738 114.554 0.196 0.000 2.916 405 T HA 0.294 4.662 4.350 0.031 0.000 0.292 405 T C 0.852 175.614 174.700 0.104 0.000 1.064 405 T CA -0.876 61.303 62.100 0.132 0.000 1.011 405 T CB 1.597 70.482 68.868 0.028 0.000 1.152 405 T HN 0.342 nan 8.240 nan 0.000 0.510 406 E N 0.307 120.553 120.200 0.076 0.000 2.339 406 E HA -0.121 4.247 4.350 0.031 0.000 0.201 406 E C 0.461 177.069 176.600 0.014 0.000 1.015 406 E CA 1.252 57.684 56.400 0.053 0.000 0.841 406 E CB 0.172 29.888 29.700 0.027 0.000 0.754 406 E HN 0.762 nan 8.360 nan 0.000 0.508 407 E N -0.479 119.711 120.200 -0.016 0.000 2.343 407 E HA 0.393 4.762 4.350 0.031 0.000 0.278 407 E C -1.693 174.846 176.600 -0.102 0.000 0.910 407 E CA -0.462 55.907 56.400 -0.052 0.000 0.757 407 E CB 2.344 32.014 29.700 -0.049 0.000 1.218 407 E HN -0.224 nan 8.360 nan 0.000 0.435 408 V N 4.267 124.104 119.914 -0.128 0.000 2.668 408 V HA 0.475 4.614 4.120 0.031 0.000 0.304 408 V C -0.808 175.182 176.094 -0.173 0.000 1.071 408 V CA -0.673 61.485 62.300 -0.237 0.000 0.894 408 V CB 1.627 33.240 31.823 -0.349 0.000 1.008 408 V HN 0.565 nan 8.190 nan 0.000 0.425 409 L N 3.067 124.137 121.223 -0.255 0.000 2.370 409 L HA 0.583 4.941 4.340 0.031 0.000 0.266 409 L C 0.126 176.882 176.870 -0.191 0.000 1.002 409 L CA -0.153 54.627 54.840 -0.101 0.000 0.818 409 L CB 2.707 44.720 42.059 -0.076 0.000 1.325 409 L HN 0.648 nan 8.230 nan 0.000 0.418 410 W N -0.023 121.229 121.300 -0.081 0.000 3.471 410 W HA 0.094 4.773 4.660 0.032 0.000 0.230 410 W C 1.018 177.486 176.519 -0.086 0.000 1.105 410 W CA 0.162 57.463 57.345 -0.073 0.000 1.631 410 W CB 0.373 29.787 29.460 -0.076 0.000 0.848 410 W HN 0.829 nan 8.180 nan 0.000 0.766 411 N N 0.926 119.698 118.700 0.120 0.000 2.650 411 N HA -0.213 4.546 4.740 0.031 0.000 0.249 411 N C -0.059 175.408 175.510 -0.073 0.000 1.155 411 N CA 0.986 54.022 53.050 -0.023 0.000 0.747 411 N CB -1.195 37.285 38.487 -0.010 0.000 1.132 411 N HN -0.044 nan 8.380 nan 0.000 0.564 412 V N -3.295 116.614 119.914 -0.010 0.000 3.376 412 V HA 0.433 4.572 4.120 0.031 0.000 0.303 412 V C 0.672 176.621 176.094 -0.242 0.000 1.100 412 V CA -0.309 61.975 62.300 -0.027 0.000 1.126 412 V CB 0.591 32.430 31.823 0.027 0.000 1.085 412 V HN 0.249 nan 8.190 nan 0.000 0.480 413 W N 1.694 122.970 121.300 -0.041 0.000 2.573 413 W HA 0.710 5.388 4.660 0.031 0.000 0.326 413 W C -0.500 175.931 176.519 -0.147 0.000 1.049 413 W CA -0.632 56.658 57.345 -0.090 0.000 1.220 413 W CB 1.592 31.001 29.460 -0.086 0.000 1.373 413 W HN 0.525 nan 8.180 nan 0.000 0.507 414 L N 3.335 124.560 121.223 0.004 0.000 2.277 414 L HA 0.307 4.666 4.340 0.031 0.000 0.284 414 L C 0.166 176.846 176.870 -0.317 0.000 1.028 414 L CA -0.654 54.055 54.840 -0.217 0.000 0.835 414 L CB 0.943 42.779 42.059 -0.371 0.000 1.215 414 L HN 0.436 nan 8.230 nan 0.000 0.425 415 E N 2.795 122.863 120.200 -0.221 0.000 2.313 415 E HA 0.366 4.735 4.350 0.031 0.000 0.276 415 E C -1.113 175.344 176.600 -0.238 0.000 1.031 415 E CA -0.340 55.958 56.400 -0.170 0.000 0.857 415 E CB 0.878 30.532 29.700 -0.076 0.000 1.040 415 E HN 0.265 nan 8.360 nan 0.000 0.408 416 F N 1.145 121.150 119.950 0.092 0.000 2.450 416 F HA 0.208 4.754 4.527 0.031 0.000 0.328 416 F C 1.118 176.969 175.800 0.084 0.000 1.068 416 F CA -0.729 57.344 58.000 0.123 0.000 1.007 416 F CB 1.757 40.901 39.000 0.240 0.000 1.251 416 F HN 0.496 nan 8.300 nan 0.000 0.492 417 S N 1.232 117.111 115.700 0.298 0.000 2.596 417 S HA 0.488 4.977 4.470 0.031 0.000 0.248 417 S C -0.471 174.208 174.600 0.132 0.000 1.162 417 S CA -0.309 57.986 58.200 0.158 0.000 1.185 417 S CB -1.267 61.996 63.200 0.104 0.000 0.833 417 S HN 0.400 nan 8.310 nan 0.000 0.472 418 I N 1.092 121.767 120.570 0.175 0.000 2.478 418 I HA 0.360 4.549 4.170 0.031 0.000 0.287 418 I C 0.000 176.191 176.117 0.122 0.000 1.042 418 I CA -0.890 60.467 61.300 0.096 0.000 1.067 418 I CB 1.895 39.910 38.000 0.025 0.000 1.233 418 I HN 0.021 nan 8.210 nan 0.000 0.431 419 K N 4.168 124.609 120.400 0.069 0.000 2.336 419 K HA 0.171 4.510 4.320 0.031 0.000 0.262 419 K C 0.951 177.610 176.600 0.100 0.000 0.992 419 K CA -0.437 55.896 56.287 0.076 0.000 0.927 419 K CB 1.139 33.661 32.500 0.037 0.000 0.956 419 K HN 0.486 nan 8.250 nan 0.000 0.495 420 I N 2.435 123.080 120.570 0.125 0.000 2.226 420 I HA -0.258 3.931 4.170 0.031 0.000 0.245 420 I C 2.018 178.209 176.117 0.123 0.000 1.100 420 I CA 1.810 63.195 61.300 0.142 0.000 1.374 420 I CB -0.898 37.178 38.000 0.126 0.000 1.057 420 I HN 0.652 nan 8.210 nan 0.000 0.413 421 K N -0.072 120.410 120.400 0.136 0.000 2.504 421 K HA -0.059 4.280 4.320 0.031 0.000 0.195 421 K C 0.899 177.568 176.600 0.114 0.000 1.036 421 K CA 0.975 57.398 56.287 0.228 0.000 0.984 421 K CB -0.056 32.576 32.500 0.221 0.000 0.788 421 K HN 0.197 nan 8.250 nan 0.000 0.488 422 D N 0.901 121.323 120.400 0.036 0.000 2.360 422 D HA 0.099 4.758 4.640 0.031 0.000 0.210 422 D C 0.214 176.491 176.300 -0.040 0.000 1.047 422 D CA 0.021 54.002 54.000 -0.032 0.000 0.854 422 D CB 0.260 41.030 40.800 -0.051 0.000 0.936 422 D HN 0.174 nan 8.370 nan 0.000 0.514 423 L N 3.437 124.645 121.223 -0.025 0.000 2.559 423 L HA 0.079 4.437 4.340 0.031 0.000 0.274 423 L C -2.041 174.818 176.870 -0.017 0.000 1.205 423 L CA -0.794 54.001 54.840 -0.076 0.000 0.907 423 L CB 0.174 42.166 42.059 -0.113 0.000 1.153 423 L HN -0.180 nan 8.230 nan 0.000 0.490 424 P HA 0.183 nan 4.420 nan 0.000 0.296 424 P C -1.086 176.214 177.300 -0.000 0.000 1.301 424 P CA -1.051 62.018 63.100 -0.052 0.000 0.862 424 P CB 1.458 33.014 31.700 -0.239 0.000 1.046 425 K N 2.268 122.703 120.400 0.058 0.000 2.473 425 K HA 0.240 4.579 4.320 0.031 0.000 0.277 425 K C 1.120 177.811 176.600 0.152 0.000 1.052 425 K CA 1.597 57.922 56.287 0.064 0.000 1.114 425 K CB -1.280 31.226 32.500 0.010 0.000 0.869 425 K HN 0.809 nan 8.250 nan 0.000 0.481 426 G N 1.994 110.880 108.800 0.142 0.000 2.168 426 G HA2 -0.143 3.836 3.960 0.031 0.000 0.197 426 G HA3 -0.143 3.836 3.960 0.031 0.000 0.197 426 G C 0.086 174.985 174.900 -0.002 0.000 0.997 426 G CA -0.182 44.915 45.100 -0.006 0.000 0.658 426 G HN 0.915 nan 8.290 nan 0.000 0.513 427 A N 0.197 123.043 122.820 0.043 0.000 2.388 427 A HA 0.753 5.092 4.320 0.031 0.000 0.257 427 A C 0.302 177.815 177.584 -0.118 0.000 1.095 427 A CA 0.110 52.133 52.037 -0.023 0.000 0.791 427 A CB 0.493 19.430 19.000 -0.104 0.000 1.029 427 A HN 0.821 nan 8.150 nan 0.000 0.489 428 L N 2.532 123.680 121.223 -0.126 0.000 2.313 428 L HA 0.323 4.682 4.340 0.031 0.000 0.283 428 L C -0.480 176.314 176.870 -0.127 0.000 1.013 428 L CA -0.962 53.807 54.840 -0.117 0.000 0.816 428 L CB 1.628 43.637 42.059 -0.083 0.000 1.236 428 L HN 0.711 nan 8.230 nan 0.000 0.419 429 L N 4.887 126.039 121.223 -0.119 0.000 2.410 429 L HA 0.202 4.561 4.340 0.031 0.000 0.273 429 L C 0.072 176.940 176.870 -0.003 0.000 1.144 429 L CA 0.610 55.408 54.840 -0.070 0.000 0.863 429 L CB 0.285 42.335 42.059 -0.014 0.000 1.140 429 L HN 0.609 nan 8.230 nan 0.000 0.463 430 N N 6.465 125.185 118.700 0.034 0.000 2.564 430 N HA 0.266 5.025 4.740 0.031 0.000 0.248 430 N C -1.490 174.088 175.510 0.113 0.000 0.986 430 N CA -0.537 52.563 53.050 0.084 0.000 0.921 430 N CB 0.700 39.239 38.487 0.088 0.000 1.136 430 N HN 0.656 nan 8.380 nan 0.000 0.509 431 L N 2.749 124.036 121.223 0.106 0.000 2.292 431 L HA 0.395 4.754 4.340 0.031 0.000 0.284 431 L C 0.261 177.185 176.870 0.090 0.000 1.065 431 L CA -0.396 54.495 54.840 0.085 0.000 0.806 431 L CB 1.264 43.346 42.059 0.039 0.000 1.175 431 L HN 0.388 nan 8.230 nan 0.000 0.431 432 Q N 4.039 123.871 119.800 0.053 0.000 2.456 432 Q HA 0.683 5.042 4.340 0.031 0.000 0.283 432 Q C -1.218 174.677 176.000 -0.176 0.000 1.084 432 Q CA -0.843 54.935 55.803 -0.041 0.000 0.801 432 Q CB 3.451 32.146 28.738 -0.071 0.000 1.434 432 Q HN 0.519 nan 8.270 nan 0.000 0.419 433 I N 1.743 122.116 120.570 -0.328 0.000 2.468 433 I HA 0.397 4.586 4.170 0.031 0.000 0.285 433 I C -1.413 174.420 176.117 -0.473 0.000 1.039 433 I CA -0.630 60.495 61.300 -0.291 0.000 1.074 433 I CB 1.018 39.015 38.000 -0.004 0.000 1.228 433 I HN 0.535 nan 8.210 nan 0.000 0.436 434 Y N 4.774 124.793 120.300 -0.469 0.000 2.621 434 Y HA 0.726 5.294 4.550 0.031 0.000 0.334 434 Y C 0.432 176.204 175.900 -0.213 0.000 1.074 434 Y CA -0.591 57.244 58.100 -0.442 0.000 1.149 434 Y CB 1.878 39.832 38.460 -0.843 0.000 1.302 434 Y HN 0.727 nan 8.280 nan 0.000 0.501 461 L N 2.192 123.260 121.223 -0.259 0.000 2.860 461 L HA 0.421 4.779 4.340 0.031 0.000 0.251 461 L C -1.145 175.273 176.870 -0.754 0.000 1.041 461 L CA -0.134 54.437 54.840 -0.448 0.000 0.985 461 L CB 0.997 42.868 42.059 -0.313 0.000 1.656 461 L HN 0.634 nan 8.230 nan 0.000 0.526 462 Y N -0.980 119.306 120.300 -0.023 0.000 2.519 462 Y HA 0.478 5.047 4.550 0.031 0.000 0.336 462 Y C -0.875 175.052 175.900 0.046 0.000 1.089 462 Y CA -1.262 56.843 58.100 0.009 0.000 1.025 462 Y CB 1.475 39.917 38.460 -0.029 0.000 1.318 462 Y HN 0.006 nan 8.280 nan 0.000 0.452 463 Y N -0.110 120.298 120.300 0.179 0.000 2.609 463 Y HA 0.931 5.501 4.550 0.032 0.000 0.342 463 Y C -1.803 174.238 175.900 0.234 0.000 1.058 463 Y CA -1.628 56.548 58.100 0.127 0.000 1.055 463 Y CB 1.850 40.351 38.460 0.068 0.000 1.292 463 Y HN 0.628 nan 8.280 nan 0.000 0.476 464 V N 1.699 121.785 119.914 0.287 0.000 3.236 464 V HA 0.513 4.652 4.120 0.031 0.000 0.287 464 V C -2.164 174.066 176.094 0.227 0.000 1.491 464 V CA -0.789 61.663 62.300 0.252 0.000 1.037 464 V CB 2.493 34.352 31.823 0.061 0.000 1.160 464 V HN 1.038 nan 8.190 nan 0.000 0.453 465 N N 2.847 121.671 118.700 0.208 0.000 2.262 465 N HA 0.761 5.520 4.740 0.031 0.000 0.295 465 N C -1.795 173.754 175.510 0.065 0.000 1.161 465 N CA -0.389 52.736 53.050 0.126 0.000 0.767 465 N CB 2.564 41.128 38.487 0.128 0.000 1.499 465 N HN 0.648 nan 8.380 nan 0.000 0.476 466 L N 1.222 122.445 121.223 -0.001 0.000 2.476 466 L HA 0.466 4.825 4.340 0.031 0.000 0.269 466 L C -1.218 175.617 176.870 -0.057 0.000 0.965 466 L CA -0.437 54.378 54.840 -0.041 0.000 0.845 466 L CB 1.356 43.310 42.059 -0.176 0.000 1.259 466 L HN 0.467 nan 8.230 nan 0.000 0.403 467 L N 6.107 127.308 121.223 -0.036 0.000 2.562 467 L HA 0.039 4.398 4.340 0.031 0.000 0.271 467 L C 1.242 178.088 176.870 -0.040 0.000 1.167 467 L CA 0.207 55.010 54.840 -0.062 0.000 0.917 467 L CB 0.478 42.509 42.059 -0.047 0.000 1.187 467 L HN 0.807 nan 8.230 nan 0.000 0.482 468 L N 4.702 125.872 121.223 -0.087 0.000 2.056 468 L HA -0.052 4.307 4.340 0.031 0.000 0.207 468 L C 0.808 177.659 176.870 -0.032 0.000 1.078 468 L CA 1.123 55.904 54.840 -0.098 0.000 0.749 468 L CB -0.138 41.767 42.059 -0.257 0.000 0.901 468 L HN 0.511 nan 8.230 nan 0.000 0.433 469 I N 0.688 121.248 120.570 -0.016 0.000 2.353 469 I HA 0.111 4.300 4.170 0.031 0.000 0.293 469 I C -0.358 175.786 176.117 0.045 0.000 0.992 469 I CA -0.768 60.533 61.300 0.002 0.000 1.268 469 I CB 1.301 39.288 38.000 -0.021 0.000 1.387 469 I HN 0.124 nan 8.210 nan 0.000 0.478 470 D N 4.884 125.263 120.400 -0.034 0.000 2.478 470 D HA 0.071 4.730 4.640 0.031 0.000 0.263 470 D C 1.110 177.230 176.300 -0.300 0.000 1.153 470 D CA -0.267 53.710 54.000 -0.037 0.000 1.038 470 D CB 0.421 41.169 40.800 -0.086 0.000 1.120 470 D HN 0.591 nan 8.370 nan 0.000 0.564 471 H N -0.459 118.408 119.070 -0.338 0.000 2.543 471 H HA 0.061 4.636 4.556 0.031 0.000 0.286 471 H C 0.606 175.643 175.328 -0.484 0.000 1.037 471 H CA 0.566 56.267 56.048 -0.579 0.000 1.250 471 H CB -0.225 29.191 29.762 -0.577 0.000 1.373 471 H HN 0.353 nan 8.280 nan 0.000 0.580 472 R N -0.438 119.668 120.500 -0.658 0.000 2.427 472 R HA 0.112 4.471 4.340 0.031 0.000 0.262 472 R C -0.393 175.962 176.300 0.092 0.000 0.943 472 R CA -0.291 55.643 56.100 -0.277 0.000 1.081 472 R CB 0.113 30.177 30.300 -0.395 0.000 1.166 472 R HN 0.064 nan 8.270 nan 0.000 0.534 473 F N -0.075 119.727 119.950 -0.247 0.000 2.988 473 F HA -0.255 4.291 4.527 0.031 0.000 0.287 473 F C -0.291 175.436 175.800 -0.123 0.000 0.781 473 F CA 0.373 58.279 58.000 -0.156 0.000 1.221 473 F CB -1.624 37.297 39.000 -0.133 0.000 1.392 473 F HN 0.020 nan 8.300 nan 0.000 0.425 474 L N 0.892 122.112 121.223 -0.004 0.000 2.295 474 L HA 0.511 4.870 4.340 0.031 0.000 0.285 474 L C 0.424 177.306 176.870 0.019 0.000 1.035 474 L CA -1.087 53.757 54.840 0.007 0.000 0.806 474 L CB 1.454 43.508 42.059 -0.009 0.000 1.214 474 L HN 0.051 nan 8.230 nan 0.000 0.426 475 L N 3.242 124.493 121.223 0.047 0.000 2.485 475 L HA 0.128 4.487 4.340 0.031 0.000 0.275 475 L C 0.587 177.527 176.870 0.115 0.000 1.207 475 L CA 0.184 55.071 54.840 0.077 0.000 0.855 475 L CB 0.404 42.523 42.059 0.100 0.000 1.114 475 L HN 0.577 nan 8.230 nan 0.000 0.485 476 R N 5.076 125.656 120.500 0.133 0.000 2.248 476 R HA 0.331 4.689 4.340 0.031 0.000 0.337 476 R C -0.872 175.570 176.300 0.237 0.000 1.106 476 R CA -0.155 56.043 56.100 0.164 0.000 0.959 476 R CB 0.141 30.482 30.300 0.067 0.000 1.075 476 R HN 0.655 nan 8.270 nan 0.000 0.480 477 R N 2.856 123.515 120.500 0.265 0.000 2.494 477 R HA 0.664 5.023 4.340 0.031 0.000 0.305 477 R C -0.603 175.887 176.300 0.317 0.000 0.959 477 R CA -0.497 55.773 56.100 0.283 0.000 0.864 477 R CB 2.278 32.724 30.300 0.243 0.000 1.159 477 R HN 0.885 nan 8.270 nan 0.000 0.446 478 G N 1.429 110.429 108.800 0.334 0.000 2.359 478 G HA2 -0.025 3.953 3.960 0.031 0.000 0.293 478 G HA3 -0.025 3.953 3.960 0.031 0.000 0.293 478 G C -1.609 173.395 174.900 0.174 0.000 1.300 478 G CA -0.885 44.337 45.100 0.204 0.000 0.888 478 G HN 0.359 nan 8.290 nan 0.000 0.541 479 E N -0.454 119.695 120.200 -0.086 0.000 2.231 479 E HA 0.596 4.965 4.350 0.031 0.000 0.277 479 E C -1.429 174.954 176.600 -0.361 0.000 0.999 479 E CA -0.240 56.111 56.400 -0.082 0.000 0.827 479 E CB 2.031 31.687 29.700 -0.073 0.000 1.101 479 E HN 0.401 nan 8.360 nan 0.000 0.393 480 Y N -0.184 120.098 120.300 -0.031 0.000 2.396 480 Y HA 0.228 4.797 4.550 0.032 0.000 0.332 480 Y C -0.485 175.360 175.900 -0.092 0.000 1.034 480 Y CA -0.797 57.262 58.100 -0.068 0.000 1.057 480 Y CB 1.902 40.303 38.460 -0.099 0.000 1.220 480 Y HN 0.120 nan 8.280 nan 0.000 0.440 481 V N 5.672 125.592 119.914 0.011 0.000 2.289 481 V HA 0.374 4.513 4.120 0.031 0.000 0.272 481 V C -0.580 175.474 176.094 -0.066 0.000 1.026 481 V CA -0.673 61.597 62.300 -0.050 0.000 0.807 481 V CB 0.463 32.252 31.823 -0.058 0.000 1.044 481 V HN 0.556 nan 8.190 nan 0.000 0.443 482 L N 4.020 125.177 121.223 -0.109 0.000 2.272 482 L HA 0.579 4.938 4.340 0.031 0.000 0.289 482 L C 0.234 176.982 176.870 -0.203 0.000 1.032 482 L CA -0.562 54.214 54.840 -0.108 0.000 0.810 482 L CB 0.896 42.890 42.059 -0.108 0.000 1.205 482 L HN 0.505 nan 8.230 nan 0.000 0.422 483 H N 4.143 123.102 119.070 -0.185 0.000 2.610 483 H HA 0.441 5.016 4.556 0.031 0.000 0.336 483 H C -0.439 174.623 175.328 -0.445 0.000 1.087 483 H CA 0.082 55.965 56.048 -0.275 0.000 1.405 483 H CB 1.718 31.317 29.762 -0.272 0.000 1.460 483 H HN 0.479 nan 8.280 nan 0.000 0.538 484 M N 2.197 121.616 119.600 -0.302 0.000 2.578 484 M HA 0.194 4.693 4.480 0.031 0.000 0.321 484 M C -0.812 175.299 176.300 -0.315 0.000 1.182 484 M CA -0.763 54.331 55.300 -0.345 0.000 0.965 484 M CB 2.014 34.516 32.600 -0.164 0.000 1.694 484 M HN 0.426 nan 8.290 nan 0.000 0.461 485 W N 1.518 122.647 121.300 -0.284 0.000 2.316 485 W HA 0.390 5.069 4.660 0.032 0.000 0.311 485 W C 0.463 176.891 176.519 -0.151 0.000 1.217 485 W CA -0.211 56.922 57.345 -0.354 0.000 1.199 485 W CB 0.437 29.409 29.460 -0.814 0.000 1.202 485 W HN 0.529 nan 8.180 nan 0.000 0.528 486 Q N 1.896 121.839 119.800 0.238 0.000 2.526 486 Q HA 0.334 4.693 4.340 0.031 0.000 0.207 486 Q C -0.803 175.235 176.000 0.064 0.000 1.078 486 Q CA 0.150 55.995 55.803 0.069 0.000 1.041 486 Q CB 0.562 29.360 28.738 0.101 0.000 1.228 486 Q HN 0.331 nan 8.270 nan 0.000 0.603 487 I N 1.849 122.378 120.570 -0.070 0.000 2.533 487 I HA 0.264 4.452 4.170 0.031 0.000 0.290 487 I C -0.398 175.707 176.117 -0.020 0.000 1.056 487 I CA -0.447 60.855 61.300 0.003 0.000 1.057 487 I CB 1.143 39.117 38.000 -0.044 0.000 1.240 487 I HN 0.834 nan 8.210 nan 0.000 0.423 488 S N 3.822 119.531 115.700 0.016 0.000 2.669 488 S HA 0.936 5.425 4.470 0.031 0.000 0.270 488 S C 0.305 174.904 174.600 -0.003 0.000 1.225 488 S CA 0.167 58.373 58.200 0.011 0.000 0.991 488 S CB 1.934 65.152 63.200 0.030 0.000 0.987 488 S HN 1.467 nan 8.310 nan 0.000 0.552 497 F N 0.529 120.448 119.950 -0.052 0.000 2.214 497 F HA 0.107 4.654 4.527 0.033 0.000 0.318 497 F C -0.521 175.247 175.800 -0.054 0.000 1.098 497 F CA -0.518 57.441 58.000 -0.069 0.000 0.898 497 F CB 0.073 39.034 39.000 -0.066 0.000 4.033 497 F HN 0.280 nan 8.300 nan 0.000 0.183 498 N N 0.563 119.379 118.700 0.194 0.000 6.319 498 N HA 0.458 5.217 4.740 0.031 0.000 0.120 498 N C -0.315 175.233 175.510 0.065 0.000 0.961 498 N CA 0.183 53.261 53.050 0.047 0.000 1.228 498 N CB 0.750 39.189 38.487 -0.080 0.000 1.394 498 N HN 0.957 nan 8.380 nan 0.000 1.112 499 A N 2.258 125.120 122.820 0.071 0.000 2.015 499 A HA -0.092 4.247 4.320 0.031 0.000 0.219 499 A C 1.417 179.061 177.584 0.100 0.000 1.163 499 A CA 1.616 53.721 52.037 0.114 0.000 0.646 499 A CB -0.221 18.765 19.000 -0.023 0.000 0.806 499 A HN 0.803 nan 8.150 nan 0.000 0.448 500 D N 0.315 120.662 120.400 -0.088 0.000 2.149 500 D HA -0.134 4.524 4.640 0.031 0.000 0.198 500 D C 1.551 177.698 176.300 -0.254 0.000 0.990 500 D CA 1.047 54.800 54.000 -0.412 0.000 0.839 500 D CB -0.249 39.918 40.800 -1.055 0.000 0.948 500 D HN 0.370 nan 8.370 nan 0.000 0.460 501 K N 0.160 120.420 120.400 -0.233 0.000 2.519 501 K HA -0.040 4.299 4.320 0.031 0.000 0.196 501 K C 1.555 178.095 176.600 -0.101 0.000 1.041 501 K CA 0.278 56.311 56.287 -0.423 0.000 0.954 501 K CB 0.063 32.205 32.500 -0.596 0.000 0.774 501 K HN 0.265 nan 8.250 nan 0.000 0.480 502 L N -0.045 121.202 121.223 0.040 0.000 2.640 502 L HA 0.042 4.401 4.340 0.031 0.000 0.230 502 L C 1.074 177.993 176.870 0.082 0.000 1.123 502 L CA -0.110 54.788 54.840 0.096 0.000 0.900 502 L CB 0.559 42.708 42.059 0.150 0.000 1.146 502 L HN -0.066 nan 8.230 nan 0.000 0.484 503 T N -0.927 113.647 114.554 0.033 0.000 2.913 503 T HA 0.060 4.429 4.350 0.031 0.000 0.297 503 T C 1.241 175.960 174.700 0.032 0.000 1.029 503 T CA 0.031 62.075 62.100 -0.094 0.000 1.104 503 T CB 1.165 69.753 68.868 -0.466 0.000 0.964 503 T HN 0.276 nan 8.240 nan 0.000 0.532 504 S N 2.770 118.481 115.700 0.019 0.000 2.593 504 S HA 0.435 4.924 4.470 0.031 0.000 0.217 504 S C 0.712 175.415 174.600 0.171 0.000 0.966 504 S CA -0.267 57.975 58.200 0.071 0.000 0.914 504 S CB -0.052 63.124 63.200 -0.040 0.000 0.776 504 S HN 0.872 nan 8.310 nan 0.000 0.523 505 A N 1.896 124.822 122.820 0.177 0.000 2.282 505 A HA 0.701 5.039 4.320 0.031 0.000 0.319 505 A C 0.415 178.283 177.584 0.473 0.000 1.121 505 A CA -0.421 51.770 52.037 0.258 0.000 0.836 505 A CB 0.736 19.835 19.000 0.165 0.000 1.146 505 A HN 0.531 nan 8.150 nan 0.000 0.494 506 T N -0.367 114.355 114.554 0.279 0.000 2.918 506 T HA 0.422 4.791 4.350 0.031 0.000 0.286 506 T C -0.067 174.303 174.700 -0.550 0.000 1.026 506 T CA -0.970 61.082 62.100 -0.080 0.000 1.031 506 T CB 0.967 69.831 68.868 -0.006 0.000 1.046 506 T HN 0.558 nan 8.240 nan 0.000 0.479 507 N N 2.911 120.773 118.700 -1.395 0.000 2.412 507 N HA 0.087 4.846 4.740 0.031 0.000 0.258 507 N C -1.292 173.889 175.510 -0.549 0.000 1.236 507 N CA -1.729 50.493 53.050 -1.380 0.000 0.882 507 N CB 1.110 38.880 38.487 -1.196 0.000 1.066 507 N HN 0.438 nan 8.380 nan 0.000 0.465 508 P HA -0.050 nan 4.420 nan 0.000 0.219 508 P C -0.061 177.105 177.300 -0.222 0.000 1.154 508 P CA 0.562 63.552 63.100 -0.184 0.000 0.826 508 P CB 0.069 31.738 31.700 -0.052 0.000 0.795 509 D N 0.665 120.939 120.400 -0.211 0.000 2.357 509 D HA -0.005 4.654 4.640 0.031 0.000 0.265 509 D C 0.914 177.036 176.300 -0.296 0.000 1.334 509 D CA 0.300 54.189 54.000 -0.186 0.000 0.984 509 D CB 0.396 41.131 40.800 -0.109 0.000 1.077 509 D HN -0.082 nan 8.370 nan 0.000 0.514 510 K N 2.103 122.275 120.400 -0.379 0.000 2.067 510 K HA 0.011 4.350 4.320 0.031 0.000 0.203 510 K C 1.649 178.087 176.600 -0.270 0.000 1.048 510 K CA 0.593 56.505 56.287 -0.626 0.000 0.954 510 K CB 0.151 32.264 32.500 -0.645 0.000 0.737 510 K HN 0.385 nan 8.250 nan 0.000 0.444 511 E N 0.607 120.711 120.200 -0.160 0.000 2.333 511 E HA -0.172 4.197 4.350 0.031 0.000 0.200 511 E C 0.876 177.448 176.600 -0.047 0.000 1.010 511 E CA 0.821 57.175 56.400 -0.077 0.000 0.841 511 E CB 0.024 29.689 29.700 -0.058 0.000 0.757 511 E HN 0.312 nan 8.360 nan 0.000 0.508 512 N N -0.431 118.234 118.700 -0.058 0.000 2.360 512 N HA -0.021 4.738 4.740 0.031 0.000 0.211 512 N C 0.367 175.870 175.510 -0.012 0.000 1.147 512 N CA 0.264 53.300 53.050 -0.023 0.000 0.866 512 N CB 0.641 39.119 38.487 -0.016 0.000 1.206 512 N HN -0.029 nan 8.380 nan 0.000 0.478 513 S N 0.995 116.677 115.700 -0.030 0.000 2.562 513 S HA 0.415 4.904 4.470 0.031 0.000 0.275 513 S C 0.360 174.957 174.600 -0.005 0.000 1.281 513 S CA -0.704 57.490 58.200 -0.010 0.000 1.045 513 S CB 1.579 64.748 63.200 -0.050 0.000 0.962 513 S HN 0.159 nan 8.310 nan 0.000 0.503 514 M N 2.925 122.403 119.600 -0.203 0.000 2.245 514 M HA 0.358 4.856 4.480 0.031 0.000 0.312 514 M C 0.036 176.161 176.300 -0.291 0.000 1.070 514 M CA 0.864 55.936 55.300 -0.380 0.000 1.162 514 M CB 0.583 32.589 32.600 -0.990 0.000 1.448 514 M HN 0.882 nan 8.290 nan 0.000 0.446 515 S N 3.706 119.200 115.700 -0.344 0.000 2.588 515 S HA 0.792 5.281 4.470 0.031 0.000 0.275 515 S C -1.507 172.918 174.600 -0.292 0.000 1.130 515 S CA -0.977 56.949 58.200 -0.457 0.000 0.855 515 S CB 1.105 63.843 63.200 -0.770 0.000 1.116 515 S HN 0.836 nan 8.310 nan 0.000 0.472 516 I N 1.918 122.340 120.570 -0.247 0.000 2.686 516 I HA 0.648 4.837 4.170 0.031 0.000 0.295 516 I C -1.119 174.923 176.117 -0.124 0.000 1.114 516 I CA -0.191 61.018 61.300 -0.151 0.000 1.038 516 I CB 2.247 40.178 38.000 -0.115 0.000 1.238 516 I HN 0.631 nan 8.210 nan 0.000 0.420 517 S N 7.433 123.082 115.700 -0.085 0.000 2.473 517 S HA 0.743 5.231 4.470 0.031 0.000 0.307 517 S C -0.658 173.908 174.600 -0.055 0.000 1.094 517 S CA -0.568 57.593 58.200 -0.064 0.000 1.070 517 S CB 1.418 64.581 63.200 -0.061 0.000 1.019 517 S HN 0.552 nan 8.310 nan 0.000 0.480 518 I N -0.165 120.386 120.570 -0.031 0.000 3.095 518 I HA 0.786 4.975 4.170 0.031 0.000 0.310 518 I C -1.954 174.149 176.117 -0.022 0.000 1.196 518 I CA -1.397 59.873 61.300 -0.050 0.000 0.985 518 I CB 1.906 39.895 38.000 -0.018 0.000 1.250 518 I HN 0.500 nan 8.210 nan 0.000 0.446 519 L N 4.237 125.399 121.223 -0.102 0.000 2.404 519 L HA 0.521 4.880 4.340 0.031 0.000 0.272 519 L C -1.494 175.399 176.870 0.038 0.000 0.980 519 L CA -0.526 54.296 54.840 -0.031 0.000 0.836 519 L CB 1.708 43.691 42.059 -0.125 0.000 1.238 519 L HN 0.537 nan 8.230 nan 0.000 0.408 520 L N 4.446 125.789 121.223 0.201 0.000 2.278 520 L HA 0.266 4.625 4.340 0.031 0.000 0.287 520 L C 0.202 177.261 176.870 0.315 0.000 1.072 520 L CA -0.091 54.895 54.840 0.243 0.000 0.819 520 L CB 0.606 42.819 42.059 0.255 0.000 1.176 520 L HN 0.686 nan 8.230 nan 0.000 0.435 521 D N 2.752 123.394 120.400 0.405 0.000 2.694 521 D HA -0.146 4.513 4.640 0.031 0.000 0.223 521 D C 0.605 177.056 176.300 0.251 0.000 1.158 521 D CA 0.837 55.012 54.000 0.292 0.000 0.859 521 D CB 0.827 41.621 40.800 -0.009 0.000 1.210 521 D HN 0.561 nan 8.370 nan 0.000 0.506 522 N N 0.391 119.264 118.700 0.288 0.000 2.683 522 N HA 0.108 4.867 4.740 0.031 0.000 0.135 522 N C -0.755 175.060 175.510 0.508 0.000 1.546 522 N CA -0.101 53.150 53.050 0.335 0.000 1.140 522 N CB -0.315 38.324 38.487 0.253 0.000 1.077 522 N HN 0.547 nan 8.380 nan 0.000 0.390 523 Y N -0.100 120.242 120.300 0.070 0.000 2.520 523 Y HA -0.374 4.195 4.550 0.032 0.000 0.024 523 Y C 1.770 177.450 175.900 -0.367 0.000 1.714 523 Y CA 0.243 58.263 58.100 -0.133 0.000 1.409 523 Y CB -0.903 37.463 38.460 -0.156 0.000 2.055 523 Y HN 0.694 nan 8.280 nan 0.000 0.256 524 C N -1.054 118.058 119.300 -0.314 0.000 5.885 524 C HA -0.369 4.110 4.460 0.031 0.000 0.328 524 C C 0.887 175.871 174.990 -0.011 0.000 2.433 524 C CA 1.408 60.280 59.018 -0.242 0.000 2.197 524 C CB -1.486 25.973 27.740 -0.469 0.000 3.236 524 C HN 0.930 nan 8.230 nan 0.000 0.260 525 H N 2.563 121.685 119.070 0.086 0.000 2.530 525 H HA 0.338 4.913 4.556 0.032 0.000 0.246 525 H C -2.346 173.021 175.328 0.065 0.000 1.346 525 H CA -1.454 54.647 56.048 0.088 0.000 1.424 525 H CB 0.753 30.583 29.762 0.113 0.000 1.445 525 H HN 0.472 nan 8.280 nan 0.000 0.511 526 P HA 0.001 nan 4.420 nan 0.000 0.259 526 P C -0.609 176.746 177.300 0.093 0.000 1.211 526 P CA 0.675 63.837 63.100 0.104 0.000 0.810 526 P CB 0.365 32.104 31.700 0.065 0.000 0.815 527 I N 2.501 123.113 120.570 0.070 0.000 2.637 527 I HA 0.482 4.671 4.170 0.031 0.000 0.285 527 I C 0.032 176.162 176.117 0.022 0.000 1.222 527 I CA -0.542 60.779 61.300 0.035 0.000 1.067 527 I CB 1.851 39.873 38.000 0.037 0.000 1.279 527 I HN 0.336 nan 8.210 nan 0.000 0.441 528 A N 4.920 127.733 122.820 -0.011 0.000 2.361 528 A HA 0.065 4.404 4.320 0.031 0.000 0.222 528 A C -0.552 176.945 177.584 -0.145 0.000 2.888 528 A CA -0.629 51.373 52.037 -0.057 0.000 1.645 528 A CB -0.744 18.221 19.000 -0.057 0.000 0.168 528 A HN 0.642 nan 8.150 nan 0.000 0.609 529 L N 1.784 122.949 121.223 -0.097 0.000 2.615 529 L HA 0.348 4.706 4.340 0.031 0.000 0.271 529 L C -1.159 175.582 176.870 -0.216 0.000 1.183 529 L CA -0.418 54.308 54.840 -0.190 0.000 0.933 529 L CB -0.038 42.043 42.059 0.037 0.000 1.199 529 L HN 0.190 nan 8.230 nan 0.000 0.487 530 P HA -0.034 nan 4.420 nan 0.000 0.207 530 P C -1.153 175.988 177.300 -0.266 0.000 0.993 530 P CA 1.031 63.829 63.100 -0.503 0.000 0.885 530 P CB 0.170 31.359 31.700 -0.852 0.000 0.600 545 A N 1.203 123.993 122.820 -0.050 0.000 3.702 545 A HA 0.403 4.741 4.320 0.031 0.000 0.175 545 A C 0.608 178.194 177.584 0.005 0.000 1.741 545 A CA 1.058 53.086 52.037 -0.015 0.000 0.912 545 A CB -0.106 18.903 19.000 0.014 0.000 1.154 545 A HN 0.170 nan 8.150 nan 0.000 0.420 546 E N -2.486 117.736 120.200 0.036 0.000 2.378 546 E HA 0.695 5.064 4.350 0.031 0.000 0.173 546 E C -1.249 175.373 176.600 0.036 0.000 0.853 546 E CA -0.492 55.921 56.400 0.021 0.000 0.866 546 E CB 1.144 30.843 29.700 -0.002 0.000 2.077 546 E HN 0.478 nan 8.360 nan 0.000 0.408 547 M N 0.940 120.518 119.600 -0.037 0.000 2.333 547 M HA 0.386 4.884 4.480 0.031 0.000 0.286 547 M C -2.354 173.879 176.300 -0.111 0.000 1.113 547 M CA -1.436 53.779 55.300 -0.141 0.000 0.959 547 M CB 1.548 33.915 32.600 -0.388 0.000 1.776 547 M HN 0.313 nan 8.290 nan 0.000 0.492 548 P HA 0.171 nan 4.420 nan 0.000 0.296 548 P C -0.523 176.733 177.300 -0.073 0.000 1.407 548 P CA 0.636 63.709 63.100 -0.045 0.000 0.793 548 P CB 0.309 32.004 31.700 -0.008 0.000 1.675 549 N N -3.842 114.824 118.700 -0.056 0.000 2.441 549 N HA -0.067 4.692 4.740 0.031 0.000 0.257 549 N C 1.416 176.895 175.510 -0.052 0.000 1.058 549 N CA -0.068 52.948 53.050 -0.056 0.000 0.853 549 N CB -0.450 38.014 38.487 -0.037 0.000 1.694 549 N HN 0.059 nan 8.380 nan 0.000 0.542 550 Q N 0.975 120.756 119.800 -0.033 0.000 2.224 550 Q HA 0.091 4.449 4.340 0.031 0.000 0.203 550 Q C 1.415 177.399 176.000 -0.028 0.000 0.970 550 Q CA 1.414 57.203 55.803 -0.024 0.000 0.865 550 Q CB -0.222 28.511 28.738 -0.009 0.000 0.922 550 Q HN 0.541 nan 8.270 nan 0.000 0.445 551 L N -0.328 120.872 121.223 -0.038 0.000 2.023 551 L HA -0.052 4.307 4.340 0.031 0.000 0.205 551 L C 2.665 179.460 176.870 -0.126 0.000 1.073 551 L CA 1.459 56.274 54.840 -0.042 0.000 0.745 551 L CB -0.569 41.474 42.059 -0.028 0.000 0.900 551 L HN 0.243 nan 8.230 nan 0.000 0.435 552 R N 0.595 120.978 120.500 -0.194 0.000 2.096 552 R HA -0.212 4.147 4.340 0.031 0.000 0.240 552 R C 2.216 178.446 176.300 -0.117 0.000 1.139 552 R CA 1.596 57.582 56.100 -0.190 0.000 0.952 552 R CB -0.025 30.178 30.300 -0.162 0.000 0.854 552 R HN 0.060 nan 8.270 nan 0.000 0.436 553 K N 0.655 121.005 120.400 -0.084 0.000 2.148 553 K HA -0.120 4.219 4.320 0.031 0.000 0.204 553 K C 1.942 178.514 176.600 -0.048 0.000 1.050 553 K CA 1.260 57.510 56.287 -0.061 0.000 0.942 553 K CB -0.329 32.144 32.500 -0.046 0.000 0.724 553 K HN 0.450 nan 8.250 nan 0.000 0.446 554 Q N 0.048 119.827 119.800 -0.034 0.000 2.167 554 Q HA -0.092 4.267 4.340 0.031 0.000 0.202 554 Q C 1.880 177.872 176.000 -0.015 0.000 0.970 554 Q CA 0.858 56.653 55.803 -0.012 0.000 0.855 554 Q CB 0.048 28.794 28.738 0.014 0.000 0.911 554 Q HN 0.143 nan 8.270 nan 0.000 0.438 555 L N 0.843 122.047 121.223 -0.032 0.000 2.068 555 L HA -0.091 4.268 4.340 0.031 0.000 0.204 555 L C 1.836 178.660 176.870 -0.077 0.000 1.076 555 L CA 1.724 56.544 54.840 -0.034 0.000 0.753 555 L CB -0.208 41.819 42.059 -0.055 0.000 0.910 555 L HN 0.134 nan 8.230 nan 0.000 0.439 556 E N -0.535 119.600 120.200 -0.108 0.000 2.160 556 E HA -0.255 4.114 4.350 0.031 0.000 0.195 556 E C 2.118 178.663 176.600 -0.091 0.000 0.991 556 E CA 1.105 57.424 56.400 -0.134 0.000 0.810 556 E CB -0.227 29.401 29.700 -0.121 0.000 0.742 556 E HN 0.657 nan 8.360 nan 0.000 0.466 557 A N 0.959 123.742 122.820 -0.061 0.000 1.873 557 A HA -0.151 4.187 4.320 0.031 0.000 0.215 557 A C 2.138 179.702 177.584 -0.033 0.000 1.186 557 A CA 0.961 52.973 52.037 -0.042 0.000 0.616 557 A CB -0.473 18.510 19.000 -0.029 0.000 0.823 557 A HN 0.139 nan 8.150 nan 0.000 0.442 558 I N -0.117 120.438 120.570 -0.025 0.000 2.179 558 I HA -0.263 3.926 4.170 0.031 0.000 0.242 558 I C 2.188 178.298 176.117 -0.011 0.000 1.088 558 I CA 1.419 62.714 61.300 -0.008 0.000 1.357 558 I CB -0.436 37.569 38.000 0.007 0.000 1.051 558 I HN 0.286 nan 8.210 nan 0.000 0.409 559 I N 0.884 121.434 120.570 -0.035 0.000 2.454 559 I HA -0.261 3.928 4.170 0.031 0.000 0.254 559 I C 2.715 178.818 176.117 -0.024 0.000 1.156 559 I CA 1.102 62.384 61.300 -0.031 0.000 1.433 559 I CB -0.454 37.487 38.000 -0.097 0.000 1.082 559 I HN 0.199 nan 8.210 nan 0.000 0.432 560 A N -0.242 122.555 122.820 -0.038 0.000 1.874 560 A HA -0.084 4.254 4.320 0.031 0.000 0.214 560 A C 1.665 179.234 177.584 -0.025 0.000 1.189 560 A CA 1.050 53.065 52.037 -0.037 0.000 0.615 560 A CB -0.650 18.323 19.000 -0.046 0.000 0.830 560 A HN 0.345 nan 8.150 nan 0.000 0.443 561 T N 1.510 116.053 114.554 -0.018 0.000 2.939 561 T HA 0.241 4.610 4.350 0.031 0.000 0.319 561 T C 0.239 174.936 174.700 -0.006 0.000 1.082 561 T CA 0.328 62.420 62.100 -0.014 0.000 1.133 561 T CB -0.320 68.543 68.868 -0.009 0.000 1.019 561 T HN 0.602 nan 8.240 nan 0.000 0.548 562 D N 4.484 124.876 120.400 -0.013 0.000 2.335 562 D HA 0.123 4.782 4.640 0.031 0.000 0.236 562 D C -1.731 174.575 176.300 0.009 0.000 1.297 562 D CA -1.079 52.915 54.000 -0.010 0.000 0.906 562 D CB 0.024 40.809 40.800 -0.026 0.000 1.164 562 D HN 0.229 nan 8.370 nan 0.000 0.469 563 P HA -0.012 nan 4.420 nan 0.000 0.226 563 P C 0.902 178.219 177.300 0.029 0.000 1.153 563 P CA 0.875 63.998 63.100 0.039 0.000 0.777 563 P CB 0.124 31.852 31.700 0.045 0.000 0.794 564 L N -2.291 118.939 121.223 0.013 0.000 2.513 564 L HA 0.140 4.499 4.340 0.031 0.000 0.222 564 L C 0.972 177.843 176.870 0.003 0.000 1.096 564 L CA -0.133 54.712 54.840 0.008 0.000 0.857 564 L CB -0.388 41.675 42.059 0.007 0.000 1.026 564 L HN -0.059 nan 8.230 nan 0.000 0.469 565 N N 1.866 120.567 118.700 0.001 0.000 2.468 565 N HA 0.105 4.864 4.740 0.031 0.000 0.265 565 N C -2.454 173.059 175.510 0.005 0.000 1.199 565 N CA -1.154 51.896 53.050 -0.000 0.000 0.928 565 N CB 0.808 39.293 38.487 -0.003 0.000 1.059 565 N HN -0.114 nan 8.380 nan 0.000 0.467 566 P HA 0.255 nan 4.420 nan 0.000 0.278 566 P C -0.556 176.746 177.300 0.005 0.000 1.238 566 P CA -0.294 62.806 63.100 -0.000 0.000 0.794 566 P CB 0.796 32.493 31.700 -0.005 0.000 0.955 567 L N 1.889 123.116 121.223 0.007 0.000 2.260 567 L HA 0.257 4.616 4.340 0.031 0.000 0.289 567 L C 1.189 178.061 176.870 0.004 0.000 1.057 567 L CA -0.262 54.585 54.840 0.012 0.000 0.811 567 L CB 0.859 42.932 42.059 0.024 0.000 1.184 567 L HN 0.400 nan 8.230 nan 0.000 0.429 568 T N 1.999 116.556 114.554 0.004 0.000 2.802 568 T HA 0.191 4.560 4.350 0.031 0.000 0.305 568 T C 1.340 176.039 174.700 -0.002 0.000 1.053 568 T CA 0.235 62.335 62.100 -0.000 0.000 1.058 568 T CB 1.286 70.155 68.868 0.001 0.000 0.988 568 T HN 0.718 nan 8.240 nan 0.000 0.539 569 A N 2.402 125.216 122.820 -0.009 0.000 1.908 569 A HA -0.080 4.259 4.320 0.031 0.000 0.218 569 A C 2.281 179.859 177.584 -0.009 0.000 1.181 569 A CA 1.760 53.787 52.037 -0.016 0.000 0.627 569 A CB -0.839 18.147 19.000 -0.023 0.000 0.818 569 A HN 0.948 nan 8.150 nan 0.000 0.445 570 E N 0.033 120.231 120.200 -0.004 0.000 2.085 570 E HA -0.219 4.150 4.350 0.031 0.000 0.194 570 E C 1.427 178.038 176.600 0.017 0.000 0.994 570 E CA 1.545 57.946 56.400 0.003 0.000 0.801 570 E CB -0.245 29.457 29.700 0.004 0.000 0.743 570 E HN 0.558 nan 8.360 nan 0.000 0.453 571 D N 0.392 120.804 120.400 0.019 0.000 2.097 571 D HA -0.136 4.523 4.640 0.031 0.000 0.195 571 D C 1.970 178.295 176.300 0.043 0.000 0.989 571 D CA 1.102 55.121 54.000 0.032 0.000 0.827 571 D CB -0.074 40.740 40.800 0.025 0.000 0.966 571 D HN 0.191 nan 8.370 nan 0.000 0.456 572 K N 0.669 121.088 120.400 0.030 0.000 2.001 572 K HA -0.077 4.262 4.320 0.031 0.000 0.208 572 K C 2.082 178.723 176.600 0.068 0.000 1.048 572 K CA 0.809 57.119 56.287 0.037 0.000 0.932 572 K CB -0.168 32.332 32.500 -0.001 0.000 0.715 572 K HN 0.227 nan 8.250 nan 0.000 0.437 573 E N 1.124 121.348 120.200 0.041 0.000 2.209 573 E HA -0.173 4.196 4.350 0.031 0.000 0.196 573 E C 2.000 178.652 176.600 0.087 0.000 0.993 573 E CA 0.563 57.002 56.400 0.066 0.000 0.819 573 E CB -0.029 29.673 29.700 0.004 0.000 0.745 573 E HN 0.175 nan 8.360 nan 0.000 0.477 574 L N 0.825 122.092 121.223 0.074 0.000 2.023 574 L HA -0.140 4.218 4.340 0.031 0.000 0.205 574 L C 2.222 179.185 176.870 0.155 0.000 1.073 574 L CA 1.186 56.092 54.840 0.109 0.000 0.745 574 L CB -0.564 41.571 42.059 0.127 0.000 0.900 574 L HN 0.216 nan 8.230 nan 0.000 0.435 575 L N -0.443 120.857 121.223 0.128 0.000 2.043 575 L HA -0.310 4.049 4.340 0.031 0.000 0.212 575 L C 2.388 179.303 176.870 0.075 0.000 1.075 575 L CA 1.916 56.816 54.840 0.099 0.000 0.752 575 L CB -1.452 40.649 42.059 0.069 0.000 0.891 575 L HN 0.534 nan 8.230 nan 0.000 0.432 576 W N -0.423 120.829 121.300 -0.080 0.000 2.408 576 W HA -0.210 4.463 4.660 0.021 0.000 0.311 576 W C 2.665 179.112 176.519 -0.120 0.000 1.190 576 W CA 1.531 58.798 57.345 -0.130 0.000 1.321 576 W CB -0.521 28.861 29.460 -0.129 0.000 1.143 576 W HN 0.346 nan 8.180 nan 0.000 0.501 577 H N -0.405 118.526 119.070 -0.233 0.000 2.352 577 H HA -0.183 4.397 4.556 0.040 0.000 0.299 577 H C 0.692 175.708 175.328 -0.519 0.000 1.097 577 H CA 1.775 57.553 56.048 -0.449 0.000 1.311 577 H CB -0.847 28.594 29.762 -0.536 0.000 1.377 577 H HN 0.046 nan 8.280 nan 0.000 0.504 578 F N 1.862 121.767 119.950 -0.076 0.000 2.873 578 F HA 0.149 4.666 4.527 -0.016 0.000 0.289 578 F C 1.996 177.683 175.800 -0.187 0.000 1.206 578 F CA -0.503 57.428 58.000 -0.116 0.000 1.401 578 F CB 0.097 39.089 39.000 -0.013 0.000 0.996 578 F HN 0.181 nan 8.300 nan 0.000 0.511 579 R N -0.931 119.413 120.500 -0.259 0.000 2.081 579 R HA -0.202 4.156 4.340 0.031 0.000 0.235 579 R C 1.155 177.208 176.300 -0.412 0.000 1.131 579 R CA 1.664 57.502 56.100 -0.437 0.000 0.960 579 R CB -1.037 28.754 30.300 -0.848 0.000 0.856 579 R HN 0.293 nan 8.270 nan 0.000 0.436 580 Y N 1.225 121.378 120.300 -0.244 0.000 2.333 580 Y HA -0.143 4.424 4.550 0.028 0.000 0.290 580 Y C 2.354 178.203 175.900 -0.086 0.000 1.144 580 Y CA 1.569 59.570 58.100 -0.166 0.000 1.228 580 Y CB -0.099 38.270 38.460 -0.152 0.000 0.985 580 Y HN 0.203 nan 8.280 nan 0.000 0.542 581 E N -0.480 119.773 120.200 0.088 0.000 2.285 581 E HA -0.076 4.293 4.350 0.031 0.000 0.194 581 E C 1.977 178.645 176.600 0.112 0.000 0.997 581 E CA 1.039 57.490 56.400 0.085 0.000 0.845 581 E CB -0.079 29.666 29.700 0.075 0.000 0.782 581 E HN 0.188 nan 8.360 nan 0.000 0.491 582 S N -0.200 115.518 115.700 0.030 0.000 2.470 582 S HA 0.013 4.502 4.470 0.031 0.000 0.225 582 S C 1.452 176.045 174.600 -0.012 0.000 1.006 582 S CA 0.085 58.309 58.200 0.041 0.000 0.934 582 S CB -0.043 63.102 63.200 -0.092 0.000 0.778 582 S HN 0.195 nan 8.310 nan 0.000 0.517 583 L N 2.000 123.138 121.223 -0.142 0.000 2.362 583 L HA 0.090 4.449 4.340 0.031 0.000 0.219 583 L C 1.781 178.737 176.870 0.144 0.000 1.134 583 L CA 1.402 56.161 54.840 -0.135 0.000 0.807 583 L CB -0.316 41.622 42.059 -0.201 0.000 0.927 583 L HN 0.121 nan 8.230 nan 0.000 0.447 584 K N -1.275 119.126 120.400 0.002 0.000 2.366 584 K HA 0.020 4.359 4.320 0.031 0.000 0.198 584 K C -0.159 176.256 176.600 -0.307 0.000 1.044 584 K CA 0.417 56.597 56.287 -0.179 0.000 0.973 584 K CB -0.044 32.237 32.500 -0.365 0.000 0.767 584 K HN 0.401 nan 8.250 nan 0.000 0.475 585 H N 0.266 119.457 119.070 0.202 0.000 2.685 585 H HA 0.137 4.713 4.556 0.034 0.000 0.307 585 H C -2.139 173.388 175.328 0.331 0.000 1.017 585 H CA -2.219 53.937 56.048 0.180 0.000 1.237 585 H CB 1.651 31.479 29.762 0.110 0.000 1.409 585 H HN -0.133 nan 8.280 nan 0.000 0.488 586 P HA -0.134 nan 4.420 nan 0.000 0.216 586 P C 1.513 179.019 177.300 0.342 0.000 1.150 586 P CA 1.192 64.380 63.100 0.147 0.000 0.837 586 P CB 0.442 32.058 31.700 -0.140 0.000 0.786 587 K N -0.666 119.870 120.400 0.228 0.000 2.366 587 K HA -0.144 4.195 4.320 0.031 0.000 0.202 587 K C 1.772 178.512 176.600 0.233 0.000 1.045 587 K CA 1.348 57.747 56.287 0.188 0.000 0.934 587 K CB -0.400 32.164 32.500 0.106 0.000 0.746 587 K HN 0.098 nan 8.250 nan 0.000 0.470 588 A N -0.576 122.444 122.820 0.334 0.000 2.195 588 A HA 0.003 4.342 4.320 0.031 0.000 0.210 588 A C 1.266 178.982 177.584 0.219 0.000 1.165 588 A CA 0.178 52.350 52.037 0.226 0.000 0.806 588 A CB -0.170 18.933 19.000 0.171 0.000 0.847 588 A HN 0.179 nan 8.150 nan 0.000 0.482 589 Y N 0.724 121.078 120.300 0.090 0.000 2.181 589 Y HA -0.079 4.491 4.550 0.033 0.000 0.288 589 Y C -0.366 175.585 175.900 0.085 0.000 1.146 589 Y CA 1.734 59.860 58.100 0.044 0.000 1.164 589 Y CB -1.672 36.791 38.460 0.005 0.000 0.982 589 Y HN 0.292 nan 8.280 nan 0.000 0.515 590 P HA -0.153 nan 4.420 nan 0.000 0.215 590 P C 1.219 178.694 177.300 0.293 0.000 1.153 590 P CA 2.111 65.312 63.100 0.169 0.000 0.853 590 P CB 0.048 31.866 31.700 0.197 0.000 0.788 591 K N -1.218 119.299 120.400 0.194 0.000 2.167 591 K HA -0.040 4.298 4.320 0.031 0.000 0.203 591 K C 1.889 178.556 176.600 0.111 0.000 1.052 591 K CA 0.614 56.995 56.287 0.156 0.000 0.956 591 K CB -0.717 31.841 32.500 0.098 0.000 0.735 591 K HN 0.027 nan 8.250 nan 0.000 0.451 592 L N -0.099 121.129 121.223 0.009 0.000 2.072 592 L HA 0.019 4.378 4.340 0.031 0.000 0.205 592 L C 1.439 178.242 176.870 -0.112 0.000 1.079 592 L CA 1.693 56.445 54.840 -0.147 0.000 0.752 592 L CB -0.365 41.430 42.059 -0.440 0.000 0.906 592 L HN 0.074 nan 8.230 nan 0.000 0.436 593 F N -0.843 119.173 119.950 0.110 0.000 2.748 593 F HA 0.025 4.574 4.527 0.037 0.000 0.299 593 F C 2.053 178.148 175.800 0.491 0.000 1.154 593 F CA 0.569 58.716 58.000 0.245 0.000 1.446 593 F CB -0.086 39.008 39.000 0.155 0.000 1.112 593 F HN 0.056 nan 8.300 nan 0.000 0.584 594 S N -1.505 114.525 115.700 0.551 0.000 2.556 594 S HA 0.001 4.490 4.470 0.031 0.000 0.216 594 S C 1.719 176.429 174.600 0.184 0.000 0.970 594 S CA 0.192 58.641 58.200 0.415 0.000 0.912 594 S CB 0.077 63.462 63.200 0.309 0.000 0.790 594 S HN 0.115 nan 8.310 nan 0.000 0.504 595 S N 1.225 116.992 115.700 0.110 0.000 2.575 595 S HA 0.185 4.674 4.470 0.031 0.000 0.215 595 S C 0.499 174.973 174.600 -0.210 0.000 0.966 595 S CA -0.092 58.104 58.200 -0.007 0.000 0.911 595 S CB 0.233 63.468 63.200 0.058 0.000 0.780 595 S HN 0.192 nan 8.310 nan 0.000 0.514 596 V N 3.090 122.833 119.914 -0.284 0.000 2.530 596 V HA 0.152 4.291 4.120 0.031 0.000 0.282 596 V C 0.248 175.870 176.094 -0.788 0.000 1.048 596 V CA -0.450 61.385 62.300 -0.776 0.000 0.997 596 V CB 0.835 32.043 31.823 -1.025 0.000 0.987 596 V HN 0.235 nan 8.190 nan 0.000 0.477 597 K N 4.702 124.641 120.400 -0.769 0.000 2.262 597 K HA 0.109 4.448 4.320 0.031 0.000 0.288 597 K C 0.005 176.306 176.600 -0.498 0.000 1.090 597 K CA 0.165 56.156 56.287 -0.494 0.000 0.918 597 K CB 0.366 32.615 32.500 -0.418 0.000 1.139 597 K HN 0.698 nan 8.250 nan 0.000 0.462 598 W N 1.254 122.433 121.300 -0.202 0.000 2.800 598 W HA 0.030 4.711 4.660 0.035 0.000 0.249 598 W C 1.837 178.172 176.519 -0.306 0.000 1.294 598 W CA -0.157 57.020 57.345 -0.280 0.000 1.402 598 W CB 0.340 29.575 29.460 -0.376 0.000 1.126 598 W HN 0.721 nan 8.180 nan 0.000 0.652 599 G N -0.104 108.656 108.800 -0.068 0.000 3.061 599 G HA2 -0.022 3.957 3.960 0.031 0.000 0.208 599 G HA3 -0.022 3.957 3.960 0.031 0.000 0.208 599 G C 0.368 175.192 174.900 -0.127 0.000 1.175 599 G CA -0.094 44.948 45.100 -0.097 0.000 0.812 599 G HN 0.174 nan 8.290 nan 0.000 0.523 600 Q N -0.144 119.550 119.800 -0.177 0.000 2.394 600 Q HA 0.198 4.557 4.340 0.031 0.000 0.261 600 Q C 0.775 176.638 176.000 -0.228 0.000 1.023 600 Q CA -0.583 55.103 55.803 -0.195 0.000 0.720 600 Q CB 1.842 30.447 28.738 -0.222 0.000 1.241 600 Q HN 0.233 nan 8.270 nan 0.000 0.483 601 Q N 2.441 122.103 119.800 -0.230 0.000 2.066 601 Q HA -0.359 3.999 4.340 0.031 0.000 0.216 601 Q C 1.563 177.349 176.000 -0.357 0.000 1.035 601 Q CA 2.807 58.402 55.803 -0.348 0.000 0.897 601 Q CB -0.032 28.446 28.738 -0.432 0.000 1.010 601 Q HN 0.736 nan 8.270 nan 0.000 0.416 602 E N -1.000 119.031 120.200 -0.281 0.000 2.110 602 E HA -0.183 4.186 4.350 0.031 0.000 0.193 602 E C 1.916 178.420 176.600 -0.161 0.000 0.988 602 E CA 1.326 57.597 56.400 -0.215 0.000 0.804 602 E CB -0.105 29.508 29.700 -0.147 0.000 0.745 602 E HN 0.522 nan 8.360 nan 0.000 0.458 603 I N 1.137 121.587 120.570 -0.201 0.000 2.179 603 I HA -0.230 3.959 4.170 0.031 0.000 0.242 603 I C 2.608 178.599 176.117 -0.211 0.000 1.088 603 I CA 0.753 61.915 61.300 -0.230 0.000 1.357 603 I CB -1.195 36.514 38.000 -0.484 0.000 1.051 603 I HN 0.072 nan 8.210 nan 0.000 0.409 604 V N 1.429 121.171 119.914 -0.287 0.000 2.332 604 V HA -0.285 3.854 4.120 0.031 0.000 0.248 604 V C 2.825 178.808 176.094 -0.185 0.000 1.055 604 V CA 1.789 63.935 62.300 -0.257 0.000 1.038 604 V CB -1.275 30.414 31.823 -0.223 0.000 0.651 604 V HN 0.472 nan 8.190 nan 0.000 0.450 605 A N -0.473 122.228 122.820 -0.198 0.000 1.940 605 A HA -0.287 4.052 4.320 0.031 0.000 0.219 605 A C 2.297 179.916 177.584 0.057 0.000 1.176 605 A CA 2.305 54.275 52.037 -0.110 0.000 0.631 605 A CB -0.436 18.455 19.000 -0.183 0.000 0.814 605 A HN 0.534 nan 8.150 nan 0.000 0.446 606 K N -1.090 119.357 120.400 0.080 0.000 2.031 606 K HA -0.047 4.292 4.320 0.031 0.000 0.205 606 K C 2.171 178.891 176.600 0.201 0.000 1.049 606 K CA 1.659 58.038 56.287 0.155 0.000 0.939 606 K CB -0.330 32.320 32.500 0.250 0.000 0.717 606 K HN 0.468 nan 8.250 nan 0.000 0.438 607 T N 0.211 114.940 114.554 0.293 0.000 2.665 607 T HA -0.203 4.166 4.350 0.031 0.000 0.268 607 T C 1.592 176.552 174.700 0.435 0.000 1.035 607 T CA 1.544 63.861 62.100 0.361 0.000 1.151 607 T CB -0.525 68.524 68.868 0.301 0.000 0.862 607 T HN 0.284 nan 8.240 nan 0.000 0.438 608 Y N 1.343 121.737 120.300 0.156 0.000 2.315 608 Y HA -0.180 4.388 4.550 0.030 0.000 0.288 608 Y C 2.907 178.872 175.900 0.108 0.000 1.154 608 Y CA 0.606 58.792 58.100 0.142 0.000 1.229 608 Y CB -0.186 38.362 38.460 0.146 0.000 0.980 608 Y HN 0.304 nan 8.280 nan 0.000 0.540 609 Q N -0.092 119.853 119.800 0.243 0.000 2.224 609 Q HA -0.169 4.190 4.340 0.031 0.000 0.203 609 Q C 2.265 178.327 176.000 0.105 0.000 0.970 609 Q CA 0.769 56.666 55.803 0.155 0.000 0.865 609 Q CB -0.034 28.790 28.738 0.142 0.000 0.922 609 Q HN 0.534 nan 8.270 nan 0.000 0.445 610 L N 0.249 121.505 121.223 0.056 0.000 2.083 610 L HA -0.181 4.178 4.340 0.031 0.000 0.209 610 L C 1.916 178.806 176.870 0.033 0.000 1.083 610 L CA 1.139 55.935 54.840 -0.074 0.000 0.752 610 L CB -0.146 41.815 42.059 -0.164 0.000 0.899 610 L HN 0.357 nan 8.230 nan 0.000 0.433 611 L N -0.795 120.485 121.223 0.096 0.000 2.376 611 L HA -0.084 4.275 4.340 0.031 0.000 0.219 611 L C 2.393 179.289 176.870 0.043 0.000 1.133 611 L CA 0.566 55.439 54.840 0.054 0.000 0.816 611 L CB -0.443 41.564 42.059 -0.087 0.000 0.933 611 L HN 0.202 nan 8.230 nan 0.000 0.449 612 A N -0.547 122.308 122.820 0.058 0.000 2.238 612 A HA 0.022 4.361 4.320 0.031 0.000 0.208 612 A C 1.626 179.258 177.584 0.080 0.000 1.177 612 A CA 0.382 52.458 52.037 0.065 0.000 0.804 612 A CB -0.137 18.909 19.000 0.075 0.000 0.823 612 A HN 0.240 nan 8.150 nan 0.000 0.482 613 R N -0.400 120.154 120.500 0.091 0.000 2.652 613 R HA 0.151 4.510 4.340 0.031 0.000 0.372 613 R C 0.885 177.261 176.300 0.127 0.000 1.104 613 R CA -0.231 55.931 56.100 0.103 0.000 1.072 613 R CB -0.206 30.167 30.300 0.123 0.000 1.367 613 R HN 0.498 nan 8.270 nan 0.000 0.577 614 R N 2.456 123.042 120.500 0.143 0.000 2.346 614 R HA -0.071 4.287 4.340 0.031 0.000 0.208 614 R C 1.358 177.797 176.300 0.232 0.000 1.052 614 R CA 0.564 56.799 56.100 0.224 0.000 1.116 614 R CB 0.080 30.488 30.300 0.179 0.000 1.003 614 R HN 0.367 nan 8.270 nan 0.000 0.482 615 E N -0.470 119.825 120.200 0.158 0.000 2.153 615 E HA -0.132 4.237 4.350 0.031 0.000 0.194 615 E C 1.253 177.914 176.600 0.101 0.000 0.988 615 E CA 1.335 57.802 56.400 0.111 0.000 0.811 615 E CB -0.082 29.662 29.700 0.074 0.000 0.746 615 E HN 0.206 nan 8.360 nan 0.000 0.466 616 V N 0.882 120.874 119.914 0.129 0.000 2.488 616 V HA -0.161 3.978 4.120 0.031 0.000 0.246 616 V C 2.155 178.281 176.094 0.054 0.000 1.046 616 V CA 1.529 63.874 62.300 0.075 0.000 1.053 616 V CB -1.005 30.865 31.823 0.077 0.000 0.679 616 V HN 0.479 nan 8.190 nan 0.000 0.458 617 W N 1.602 122.847 121.300 -0.091 0.000 2.335 617 W HA -0.213 4.465 4.660 0.030 0.000 0.311 617 W C 2.033 178.465 176.519 -0.144 0.000 1.213 617 W CA 2.165 59.359 57.345 -0.253 0.000 1.274 617 W CB -0.256 29.023 29.460 -0.302 0.000 1.148 617 W HN 0.336 nan 8.180 nan 0.000 0.498 618 D N 0.052 120.507 120.400 0.091 0.000 2.149 618 D HA -0.212 4.446 4.640 0.031 0.000 0.198 618 D C 2.051 178.295 176.300 -0.094 0.000 0.990 618 D CA 1.651 55.657 54.000 0.009 0.000 0.839 618 D CB -0.509 40.343 40.800 0.086 0.000 0.948 618 D HN 0.363 nan 8.370 nan 0.000 0.460 619 Q N 0.275 120.024 119.800 -0.085 0.000 2.269 619 Q HA 0.015 4.374 4.340 0.031 0.000 0.201 619 Q C 0.645 176.561 176.000 -0.140 0.000 0.946 619 Q CA 0.092 55.842 55.803 -0.089 0.000 0.877 619 Q CB 0.302 29.008 28.738 -0.053 0.000 0.963 619 Q HN 0.175 nan 8.270 nan 0.000 0.472 620 S N 0.162 115.735 115.700 -0.211 0.000 2.579 620 S HA 0.417 4.905 4.470 0.031 0.000 0.275 620 S C 0.275 174.728 174.600 -0.245 0.000 1.345 620 S CA -0.522 57.539 58.200 -0.232 0.000 1.031 620 S CB 1.039 64.056 63.200 -0.306 0.000 0.892 620 S HN 0.285 nan 8.310 nan 0.000 0.529 621 A N 1.858 124.565 122.820 -0.189 0.000 2.555 621 A HA 0.322 4.661 4.320 0.031 0.000 0.233 621 A C 0.273 177.724 177.584 -0.222 0.000 1.060 621 A CA -0.459 51.479 52.037 -0.165 0.000 0.759 621 A CB -0.392 18.535 19.000 -0.122 0.000 0.995 621 A HN 1.211 nan 8.150 nan 0.000 0.506 622 L N 1.578 122.690 121.223 -0.185 0.000 2.455 622 L HA 0.358 4.716 4.340 0.031 0.000 0.272 622 L C -0.216 176.545 176.870 -0.182 0.000 1.174 622 L CA 0.478 55.194 54.840 -0.208 0.000 0.869 622 L CB 0.570 42.547 42.059 -0.136 0.000 1.130 622 L HN 0.656 nan 8.230 nan 0.000 0.474 623 D N 3.933 124.199 120.400 -0.223 0.000 2.389 623 D HA 0.143 4.802 4.640 0.031 0.000 0.256 623 D C 0.603 176.805 176.300 -0.163 0.000 1.239 623 D CA -0.321 53.574 54.000 -0.175 0.000 0.925 623 D CB 1.447 42.129 40.800 -0.197 0.000 1.145 623 D HN 0.425 nan 8.370 nan 0.000 0.542 624 V N 3.287 123.100 119.914 -0.168 0.000 2.515 624 V HA -0.046 4.093 4.120 0.031 0.000 0.250 624 V C 2.481 178.456 176.094 -0.198 0.000 1.058 624 V CA 2.074 64.221 62.300 -0.254 0.000 1.064 624 V CB -0.279 31.250 31.823 -0.490 0.000 0.675 624 V HN 0.649 nan 8.190 nan 0.000 0.461 625 G N -0.457 108.271 108.800 -0.119 0.000 2.440 625 G HA2 -0.239 3.740 3.960 0.031 0.000 0.218 625 G HA3 -0.239 3.740 3.960 0.031 0.000 0.218 625 G C 1.618 176.504 174.900 -0.022 0.000 1.154 625 G CA 0.911 45.978 45.100 -0.056 0.000 0.767 625 G HN 0.435 nan 8.290 nan 0.000 0.552 626 L N 0.570 121.780 121.223 -0.022 0.000 2.056 626 L HA -0.068 4.291 4.340 0.031 0.000 0.207 626 L C 2.954 179.878 176.870 0.089 0.000 1.078 626 L CA 1.858 56.725 54.840 0.045 0.000 0.749 626 L CB -0.484 41.583 42.059 0.013 0.000 0.901 626 L HN 0.248 nan 8.230 nan 0.000 0.433 627 T N -0.390 114.174 114.554 0.016 0.000 2.951 627 T HA -0.127 4.241 4.350 0.031 0.000 0.268 627 T C 1.919 176.625 174.700 0.009 0.000 1.073 627 T CA 0.936 63.061 62.100 0.043 0.000 1.134 627 T CB -0.003 68.832 68.868 -0.056 0.000 0.884 627 T HN 0.220 nan 8.240 nan 0.000 0.479 628 M N 1.232 120.819 119.600 -0.022 0.000 2.254 628 M HA 0.009 4.508 4.480 0.031 0.000 0.265 628 M C 2.265 178.592 176.300 0.046 0.000 1.066 628 M CA 1.222 56.520 55.300 -0.003 0.000 1.123 628 M CB -0.803 31.782 32.600 -0.026 0.000 1.388 628 M HN 0.373 nan 8.290 nan 0.000 0.425 629 Q N 0.396 120.233 119.800 0.062 0.000 2.224 629 Q HA -0.049 4.310 4.340 0.031 0.000 0.203 629 Q C 1.814 177.931 176.000 0.196 0.000 0.970 629 Q CA 0.937 56.815 55.803 0.125 0.000 0.865 629 Q CB -0.198 28.623 28.738 0.138 0.000 0.922 629 Q HN 0.502 nan 8.270 nan 0.000 0.445 630 L N 0.115 121.338 121.223 -0.000 0.000 2.599 630 L HA 0.017 4.376 4.340 0.031 0.000 0.230 630 L C 1.518 178.412 176.870 0.039 0.000 1.141 630 L CA 0.272 54.971 54.840 -0.235 0.000 0.877 630 L CB 0.054 41.879 42.059 -0.390 0.000 1.009 630 L HN 0.203 nan 8.230 nan 0.000 0.447 631 L N -0.514 120.762 121.223 0.088 0.000 2.640 631 L HA 0.102 4.461 4.340 0.031 0.000 0.230 631 L C 0.769 177.707 176.870 0.114 0.000 1.123 631 L CA -0.400 54.501 54.840 0.102 0.000 0.900 631 L CB -0.244 41.867 42.059 0.087 0.000 1.146 631 L HN 0.304 nan 8.230 nan 0.000 0.484 632 D N -0.426 119.977 120.400 0.004 0.000 2.403 632 D HA -0.075 4.583 4.640 0.031 0.000 0.278 632 D C 1.391 177.226 176.300 -0.775 0.000 1.230 632 D CA -0.143 53.586 54.000 -0.452 0.000 1.062 632 D CB 0.057 40.643 40.800 -0.358 0.000 1.119 632 D HN 0.140 nan 8.370 nan 0.000 0.557 633 C N -2.026 116.565 119.300 -1.182 0.000 2.576 633 C HA 0.283 4.762 4.460 0.031 0.000 0.267 633 C C 1.238 175.886 174.990 -0.570 0.000 1.364 633 C CA -0.414 58.096 59.018 -0.847 0.000 1.723 633 C CB -2.080 25.225 27.740 -0.725 0.000 1.778 633 C HN 0.437 nan 8.230 nan 0.000 0.572 634 N N -0.731 117.588 118.700 -0.635 0.000 2.392 634 N HA 0.255 5.013 4.740 0.031 0.000 0.177 634 N C -0.543 174.291 175.510 -1.126 0.000 1.066 634 N CA 0.386 52.918 53.050 -0.864 0.000 0.895 634 N CB 0.149 38.025 38.487 -1.017 0.000 0.988 634 N HN 0.518 nan 8.380 nan 0.000 0.457 635 F N -0.746 119.050 119.950 -0.257 0.000 2.493 635 F HA 0.388 4.932 4.527 0.029 0.000 0.329 635 F C 0.772 176.349 175.800 -0.371 0.000 1.126 635 F CA -0.793 57.036 58.000 -0.284 0.000 0.937 635 F CB 2.095 40.983 39.000 -0.186 0.000 1.146 635 F HN -0.212 nan 8.300 nan 0.000 0.442 636 S N 0.693 116.121 115.700 -0.454 0.000 2.733 636 S HA 0.018 4.507 4.470 0.031 0.000 0.247 636 S C -0.498 173.805 174.600 -0.495 0.000 1.043 636 S CA -0.279 57.561 58.200 -0.600 0.000 1.066 636 S CB -0.092 62.472 63.200 -1.060 0.000 1.045 636 S HN 0.709 nan 8.310 nan 0.000 0.586 637 D N 2.084 122.246 120.400 -0.396 0.000 2.329 637 D HA 0.114 4.773 4.640 0.031 0.000 0.232 637 D C 1.081 177.327 176.300 -0.090 0.000 1.088 637 D CA -0.127 53.741 54.000 -0.219 0.000 0.835 637 D CB 1.452 41.952 40.800 -0.501 0.000 1.078 637 D HN 0.562 nan 8.370 nan 0.000 0.495 638 E N 3.672 123.883 120.200 0.018 0.000 2.268 638 E HA -0.193 4.176 4.350 0.031 0.000 0.195 638 E C 0.758 177.351 176.600 -0.012 0.000 0.995 638 E CA 0.433 56.851 56.400 0.029 0.000 0.836 638 E CB 0.056 29.816 29.700 0.100 0.000 0.763 638 E HN 0.390 nan 8.360 nan 0.000 0.491 639 N N 1.102 119.794 118.700 -0.014 0.000 2.058 639 N HA -0.127 4.632 4.740 0.031 0.000 0.191 639 N C 2.064 177.428 175.510 -0.242 0.000 1.037 639 N CA 1.670 54.629 53.050 -0.151 0.000 0.848 639 N CB -0.122 38.141 38.487 -0.373 0.000 1.021 639 N HN 0.089 nan 8.380 nan 0.000 0.422 640 V N 2.192 121.933 119.914 -0.288 0.000 2.231 640 V HA -0.268 3.871 4.120 0.031 0.000 0.248 640 V C 2.445 178.331 176.094 -0.346 0.000 1.054 640 V CA 1.704 63.720 62.300 -0.473 0.000 1.015 640 V CB -0.528 30.996 31.823 -0.498 0.000 0.638 640 V HN 0.320 nan 8.190 nan 0.000 0.444 641 R N 0.194 120.567 120.500 -0.212 0.000 2.096 641 R HA -0.204 4.155 4.340 0.031 0.000 0.240 641 R C 2.420 178.655 176.300 -0.109 0.000 1.139 641 R CA 1.642 57.662 56.100 -0.132 0.000 0.952 641 R CB -0.806 29.462 30.300 -0.055 0.000 0.854 641 R HN 0.554 nan 8.270 nan 0.000 0.436 642 A N 1.843 124.608 122.820 -0.092 0.000 1.978 642 A HA -0.166 4.172 4.320 0.031 0.000 0.220 642 A C 2.194 179.741 177.584 -0.061 0.000 1.170 642 A CA 1.666 53.669 52.037 -0.056 0.000 0.636 642 A CB -0.785 18.194 19.000 -0.035 0.000 0.810 642 A HN 0.559 nan 8.150 nan 0.000 0.448 643 I N -3.689 116.812 120.570 -0.116 0.000 2.928 643 I HA 0.107 4.295 4.170 0.031 0.000 0.266 643 I C 2.163 178.344 176.117 0.108 0.000 1.234 643 I CA 1.084 62.354 61.300 -0.049 0.000 1.483 643 I CB -0.293 37.559 38.000 -0.247 0.000 1.097 643 I HN 0.157 nan 8.210 nan 0.000 0.455 644 A N 1.697 124.525 122.820 0.013 0.000 1.872 644 A HA -0.033 4.306 4.320 0.031 0.000 0.214 644 A C 2.331 179.908 177.584 -0.011 0.000 1.187 644 A CA 1.788 53.881 52.037 0.094 0.000 0.614 644 A CB -1.014 17.988 19.000 0.004 0.000 0.826 644 A HN 0.320 nan 8.150 nan 0.000 0.442 645 V N 0.596 120.462 119.914 -0.080 0.000 2.594 645 V HA -0.279 3.860 4.120 0.031 0.000 0.253 645 V C 2.656 178.646 176.094 -0.173 0.000 1.069 645 V CA 2.091 64.273 62.300 -0.196 0.000 1.082 645 V CB -0.826 30.918 31.823 -0.133 0.000 0.680 645 V HN 0.726 nan 8.190 nan 0.000 0.469 646 Q N 0.182 119.957 119.800 -0.041 0.000 2.167 646 Q HA -0.244 4.115 4.340 0.031 0.000 0.202 646 Q C 2.164 178.159 176.000 -0.010 0.000 0.970 646 Q CA 1.417 57.224 55.803 0.006 0.000 0.855 646 Q CB 0.041 28.819 28.738 0.068 0.000 0.911 646 Q HN 0.408 nan 8.270 nan 0.000 0.438 647 K N 0.405 120.803 120.400 -0.003 0.000 2.296 647 K HA 0.056 4.394 4.320 0.031 0.000 0.200 647 K C 1.929 178.464 176.600 -0.108 0.000 1.048 647 K CA 0.486 56.733 56.287 -0.067 0.000 0.966 647 K CB -0.093 32.352 32.500 -0.092 0.000 0.754 647 K HN 0.237 nan 8.250 nan 0.000 0.466 648 L N 0.512 121.626 121.223 -0.182 0.000 2.179 648 L HA -0.053 4.306 4.340 0.031 0.000 0.208 648 L C 1.719 178.546 176.870 -0.071 0.000 1.096 648 L CA 0.660 55.357 54.840 -0.238 0.000 0.779 648 L CB -0.343 41.355 42.059 -0.602 0.000 0.922 648 L HN 0.098 nan 8.230 nan 0.000 0.443 649 E N 0.442 120.621 120.200 -0.034 0.000 2.284 649 E HA -0.227 4.142 4.350 0.031 0.000 0.200 649 E C 1.942 178.667 176.600 0.209 0.000 1.008 649 E CA 1.689 58.244 56.400 0.258 0.000 0.829 649 E CB -0.207 29.592 29.700 0.165 0.000 0.744 649 E HN 0.549 nan 8.360 nan 0.000 0.491 650 S N -0.245 115.519 115.700 0.106 0.000 2.582 650 S HA 0.180 4.669 4.470 0.031 0.000 0.234 650 S C 0.612 175.263 174.600 0.086 0.000 0.961 650 S CA -0.417 57.830 58.200 0.077 0.000 0.953 650 S CB -0.208 63.005 63.200 0.022 0.000 0.800 650 S HN 0.008 nan 8.310 nan 0.000 0.471 651 L N 3.113 124.420 121.223 0.140 0.000 2.331 651 L HA 0.328 4.687 4.340 0.031 0.000 0.278 651 L C 0.674 177.637 176.870 0.155 0.000 1.106 651 L CA -0.598 54.335 54.840 0.155 0.000 0.824 651 L CB 0.823 43.016 42.059 0.222 0.000 1.142 651 L HN 0.487 nan 8.230 nan 0.000 0.443 652 E N 1.209 121.486 120.200 0.129 0.000 2.398 652 E HA -0.042 4.327 4.350 0.031 0.000 0.263 652 E C -0.076 176.607 176.600 0.139 0.000 1.046 652 E CA -0.657 55.813 56.400 0.117 0.000 0.908 652 E CB 0.732 30.488 29.700 0.095 0.000 0.963 652 E HN 0.490 nan 8.360 nan 0.000 0.431 653 D N 1.658 122.129 120.400 0.119 0.000 2.218 653 D HA -0.254 4.405 4.640 0.031 0.000 0.194 653 D C 1.210 177.595 176.300 0.142 0.000 1.007 653 D CA 1.839 55.909 54.000 0.116 0.000 0.879 653 D CB -0.196 40.667 40.800 0.106 0.000 0.918 653 D HN 0.666 nan 8.370 nan 0.000 0.449 654 D N -0.226 120.278 120.400 0.174 0.000 2.133 654 D HA -0.143 4.516 4.640 0.031 0.000 0.195 654 D C 1.367 177.782 176.300 0.191 0.000 0.997 654 D CA 1.184 55.306 54.000 0.204 0.000 0.840 654 D CB -0.028 40.888 40.800 0.193 0.000 0.947 654 D HN 0.233 nan 8.370 nan 0.000 0.452 655 D N -0.774 119.771 120.400 0.242 0.000 2.213 655 D HA -0.048 4.611 4.640 0.031 0.000 0.205 655 D C 2.301 178.779 176.300 0.298 0.000 0.961 655 D CA 0.214 54.411 54.000 0.328 0.000 0.853 655 D CB 0.041 41.038 40.800 0.327 0.000 0.967 655 D HN 0.146 nan 8.370 nan 0.000 0.496 656 V N 1.778 121.839 119.914 0.245 0.000 2.287 656 V HA -0.239 3.900 4.120 0.031 0.000 0.248 656 V C 2.714 178.890 176.094 0.137 0.000 1.053 656 V CA 1.203 63.645 62.300 0.237 0.000 1.027 656 V CB -0.525 31.397 31.823 0.165 0.000 0.646 656 V HN 0.207 nan 8.190 nan 0.000 0.447 657 L N -0.825 120.423 121.223 0.041 0.000 2.081 657 L HA -0.264 4.095 4.340 0.031 0.000 0.212 657 L C 2.490 179.246 176.870 -0.190 0.000 1.080 657 L CA 1.940 56.728 54.840 -0.086 0.000 0.754 657 L CB -0.693 41.284 42.059 -0.137 0.000 0.893 657 L HN 0.459 nan 8.230 nan 0.000 0.433 658 H N -2.278 116.683 119.070 -0.182 0.000 2.423 658 H HA -0.138 4.437 4.556 0.032 0.000 0.297 658 H C 1.001 175.985 175.328 -0.574 0.000 1.075 658 H CA 1.632 57.407 56.048 -0.456 0.000 1.342 658 H CB 0.122 29.451 29.762 -0.722 0.000 1.395 658 H HN 0.329 nan 8.280 nan 0.000 0.530 659 Y N -1.077 119.308 120.300 0.142 0.000 2.531 659 Y HA 0.083 4.652 4.550 0.032 0.000 0.249 659 Y C 1.484 177.441 175.900 0.094 0.000 1.168 659 Y CA -0.446 57.709 58.100 0.093 0.000 1.226 659 Y CB 0.567 39.084 38.460 0.096 0.000 1.177 659 Y HN 0.109 nan 8.280 nan 0.000 0.527 660 L N 0.286 121.620 121.223 0.186 0.000 2.027 660 L HA -0.157 4.202 4.340 0.031 0.000 0.206 660 L C 2.124 179.119 176.870 0.208 0.000 1.074 660 L CA 1.589 56.569 54.840 0.234 0.000 0.745 660 L CB -0.707 41.502 42.059 0.250 0.000 0.898 660 L HN 0.325 nan 8.230 nan 0.000 0.433 661 L N -0.429 120.830 121.223 0.060 0.000 2.042 661 L HA -0.233 4.126 4.340 0.031 0.000 0.210 661 L C 2.344 179.098 176.870 -0.194 0.000 1.076 661 L CA 1.905 56.512 54.840 -0.387 0.000 0.749 661 L CB -0.772 40.863 42.059 -0.707 0.000 0.893 661 L HN 0.479 nan 8.230 nan 0.000 0.432 662 Q N -1.065 118.699 119.800 -0.060 0.000 2.269 662 Q HA -0.018 4.341 4.340 0.031 0.000 0.201 662 Q C 2.252 178.281 176.000 0.048 0.000 0.946 662 Q CA 0.945 56.740 55.803 -0.012 0.000 0.877 662 Q CB -0.006 28.753 28.738 0.035 0.000 0.963 662 Q HN 0.537 nan 8.270 nan 0.000 0.472 663 L N -0.110 121.179 121.223 0.110 0.000 2.017 663 L HA -0.179 4.180 4.340 0.031 0.000 0.208 663 L C 2.320 179.254 176.870 0.106 0.000 1.073 663 L CA 0.873 55.794 54.840 0.135 0.000 0.745 663 L CB -0.605 41.585 42.059 0.218 0.000 0.894 663 L HN 0.073 nan 8.230 nan 0.000 0.432 664 V N -0.545 119.423 119.914 0.091 0.000 2.332 664 V HA -0.297 3.842 4.120 0.031 0.000 0.248 664 V C 2.589 178.685 176.094 0.003 0.000 1.055 664 V CA 1.593 63.922 62.300 0.050 0.000 1.038 664 V CB -0.575 31.254 31.823 0.009 0.000 0.651 664 V HN 0.494 nan 8.190 nan 0.000 0.450 665 Q N -0.292 119.463 119.800 -0.076 0.000 2.167 665 Q HA -0.058 4.301 4.340 0.031 0.000 0.202 665 Q C 2.403 178.258 176.000 -0.243 0.000 0.970 665 Q CA 1.603 57.318 55.803 -0.147 0.000 0.855 665 Q CB -0.630 28.006 28.738 -0.169 0.000 0.911 665 Q HN 0.672 nan 8.270 nan 0.000 0.438 666 A N 0.372 123.127 122.820 -0.109 0.000 2.070 666 A HA -0.094 4.244 4.320 0.031 0.000 0.220 666 A C 2.329 179.835 177.584 -0.131 0.000 1.159 666 A CA 0.944 52.940 52.037 -0.070 0.000 0.656 666 A CB -0.473 18.593 19.000 0.109 0.000 0.800 666 A HN 0.198 nan 8.150 nan 0.000 0.453 667 V N 0.252 120.116 119.914 -0.084 0.000 2.568 667 V HA -0.271 3.868 4.120 0.031 0.000 0.253 667 V C 2.202 178.101 176.094 -0.324 0.000 1.072 667 V CA 2.203 64.451 62.300 -0.086 0.000 1.084 667 V CB -0.618 31.255 31.823 0.083 0.000 0.676 667 V HN 0.579 nan 8.190 nan 0.000 0.469 668 K N -0.869 119.155 120.400 -0.626 0.000 2.442 668 K HA -0.037 4.302 4.320 0.031 0.000 0.198 668 K C 1.638 177.934 176.600 -0.507 0.000 1.042 668 K CA 1.172 56.877 56.287 -0.971 0.000 0.958 668 K CB -0.153 31.568 32.500 -1.298 0.000 0.766 668 K HN 0.511 nan 8.250 nan 0.000 0.474 669 F N 1.105 120.964 119.950 -0.153 0.000 2.717 669 F HA 0.080 4.627 4.527 0.033 0.000 0.295 669 F C 0.733 176.469 175.800 -0.106 0.000 1.117 669 F CA -0.623 57.313 58.000 -0.107 0.000 1.361 669 F CB 0.473 39.420 39.000 -0.089 0.000 1.112 669 F HN -0.176 nan 8.300 nan 0.000 0.594 670 E N 2.158 122.391 120.200 0.056 0.000 2.480 670 E HA -0.027 4.342 4.350 0.031 0.000 0.258 670 E C -1.660 174.897 176.600 -0.071 0.000 0.984 670 E CA -1.134 55.270 56.400 0.006 0.000 0.930 670 E CB 0.508 30.224 29.700 0.026 0.000 0.936 670 E HN 0.116 nan 8.360 nan 0.000 0.466 671 P HA -0.074 nan 4.420 nan 0.000 0.219 671 P C -0.285 176.690 177.300 -0.541 0.000 1.150 671 P CA 1.211 64.064 63.100 -0.412 0.000 0.814 671 P CB 0.170 31.499 31.700 -0.618 0.000 0.787 672 Y N -2.392 117.858 120.300 -0.084 0.000 2.487 672 Y HA 0.242 4.811 4.550 0.031 0.000 0.337 672 Y C 2.080 177.950 175.900 -0.050 0.000 1.076 672 Y CA -0.871 57.154 58.100 -0.125 0.000 1.115 672 Y CB 0.779 39.203 38.460 -0.060 0.000 1.235 672 Y HN -0.119 nan 8.280 nan 0.000 0.468 673 H N -0.342 118.838 119.070 0.183 0.000 2.353 673 H HA -0.114 4.461 4.556 0.032 0.000 0.300 673 H C 0.047 175.445 175.328 0.117 0.000 1.090 673 H CA 1.353 57.460 56.048 0.097 0.000 1.327 673 H CB -0.017 29.785 29.762 0.067 0.000 1.383 673 H HN 0.537 nan 8.280 nan 0.000 0.508 674 D N 0.722 121.296 120.400 0.290 0.000 2.198 674 D HA 0.265 4.923 4.640 0.031 0.000 0.245 674 D C -0.432 175.984 176.300 0.194 0.000 1.079 674 D CA -0.323 53.807 54.000 0.216 0.000 0.854 674 D CB 0.966 41.895 40.800 0.216 0.000 1.148 674 D HN 0.268 nan 8.370 nan 0.000 0.456 675 S N 1.530 117.326 115.700 0.159 0.000 2.579 675 S HA 0.629 5.118 4.470 0.031 0.000 0.272 675 S C 0.847 175.524 174.600 0.129 0.000 1.141 675 S CA -0.306 57.980 58.200 0.143 0.000 0.843 675 S CB 1.260 64.539 63.200 0.132 0.000 1.122 675 S HN 0.355 nan 8.310 nan 0.000 0.468 676 A N 0.768 123.654 122.820 0.111 0.000 1.948 676 A HA -0.039 4.300 4.320 0.031 0.000 0.220 676 A C 1.936 179.603 177.584 0.138 0.000 1.177 676 A CA 1.966 54.067 52.037 0.107 0.000 0.636 676 A CB -0.902 18.136 19.000 0.065 0.000 0.815 676 A HN 1.141 nan 8.150 nan 0.000 0.449 677 L N -0.949 120.347 121.223 0.122 0.000 2.127 677 L HA 0.209 4.568 4.340 0.031 0.000 0.203 677 L C 2.592 179.591 176.870 0.214 0.000 1.080 677 L CA 1.913 56.845 54.840 0.153 0.000 0.768 677 L CB -0.695 41.424 42.059 0.100 0.000 0.924 677 L HN 0.267 nan 8.230 nan 0.000 0.444 678 A N -0.091 122.830 122.820 0.168 0.000 1.940 678 A HA -0.242 4.097 4.320 0.031 0.000 0.219 678 A C 2.413 180.096 177.584 0.165 0.000 1.176 678 A CA 2.007 54.142 52.037 0.164 0.000 0.631 678 A CB -0.560 18.525 19.000 0.141 0.000 0.814 678 A HN 0.507 nan 8.150 nan 0.000 0.446 679 R N -2.090 118.511 120.500 0.169 0.000 2.115 679 R HA 0.031 4.389 4.340 0.031 0.000 0.226 679 R C 1.876 178.286 176.300 0.183 0.000 1.100 679 R CA 1.288 57.479 56.100 0.151 0.000 0.980 679 R CB -0.403 29.978 30.300 0.135 0.000 0.875 679 R HN 0.637 nan 8.270 nan 0.000 0.445 680 F N 0.817 120.809 119.950 0.070 0.000 2.234 680 F HA -0.074 4.473 4.527 0.033 0.000 0.299 680 F C 1.506 177.349 175.800 0.072 0.000 1.087 680 F CA 1.211 59.252 58.000 0.068 0.000 1.340 680 F CB 0.020 39.060 39.000 0.067 0.000 1.031 680 F HN -0.093 nan 8.300 nan 0.000 0.500 681 L N -0.209 121.108 121.223 0.157 0.000 2.056 681 L HA -0.221 4.138 4.340 0.031 0.000 0.207 681 L C 2.573 179.417 176.870 -0.044 0.000 1.078 681 L CA 0.984 55.834 54.840 0.017 0.000 0.749 681 L CB -0.795 41.337 42.059 0.123 0.000 0.901 681 L HN 0.244 nan 8.230 nan 0.000 0.433 682 L N -0.190 121.052 121.223 0.032 0.000 1.990 682 L HA -0.300 4.058 4.340 0.031 0.000 0.213 682 L C 2.833 179.718 176.870 0.025 0.000 1.072 682 L CA 1.662 56.539 54.840 0.062 0.000 0.755 682 L CB -0.329 41.780 42.059 0.083 0.000 0.889 682 L HN 0.294 nan 8.230 nan 0.000 0.432 683 K N -0.724 119.656 120.400 -0.033 0.000 1.978 683 K HA -0.186 4.153 4.320 0.031 0.000 0.214 683 K C 2.135 178.673 176.600 -0.103 0.000 1.049 683 K CA 1.178 57.431 56.287 -0.058 0.000 0.939 683 K CB -0.209 32.255 32.500 -0.060 0.000 0.721 683 K HN 0.207 nan 8.250 nan 0.000 0.441 684 R N 0.188 120.533 120.500 -0.259 0.000 2.091 684 R HA -0.098 4.261 4.340 0.031 0.000 0.238 684 R C 2.417 178.668 176.300 -0.081 0.000 1.136 684 R CA 1.450 57.407 56.100 -0.239 0.000 0.959 684 R CB -1.500 28.523 30.300 -0.462 0.000 0.856 684 R HN 0.456 nan 8.270 nan 0.000 0.437 685 G N 1.099 109.863 108.800 -0.060 0.000 2.469 685 G HA2 -0.239 3.740 3.960 0.031 0.000 0.219 685 G HA3 -0.239 3.740 3.960 0.031 0.000 0.219 685 G C 1.517 176.585 174.900 0.280 0.000 1.150 685 G CA 0.681 45.798 45.100 0.028 0.000 0.763 685 G HN 0.283 nan 8.290 nan 0.000 0.561 686 L N -0.485 120.867 121.223 0.214 0.000 2.418 686 L HA 0.202 4.560 4.340 0.031 0.000 0.218 686 L C 2.698 179.565 176.870 -0.006 0.000 1.125 686 L CA 0.302 55.230 54.840 0.146 0.000 0.835 686 L CB -0.046 42.028 42.059 0.025 0.000 0.953 686 L HN 0.178 nan 8.230 nan 0.000 0.454 687 R N 0.121 120.637 120.500 0.027 0.000 2.280 687 R HA 0.043 4.402 4.340 0.031 0.000 0.195 687 R C 0.216 176.607 176.300 0.151 0.000 0.935 687 R CA 0.230 56.328 56.100 -0.002 0.000 1.033 687 R CB 0.416 30.711 30.300 -0.009 0.000 0.964 687 R HN 0.210 nan 8.270 nan 0.000 0.489 688 N N 0.357 119.198 118.700 0.235 0.000 2.425 688 N HA 0.071 4.829 4.740 0.031 0.000 0.289 688 N C -0.545 175.098 175.510 0.221 0.000 1.074 688 N CA -0.282 52.913 53.050 0.242 0.000 0.905 688 N CB 1.919 40.476 38.487 0.118 0.000 1.586 688 N HN -0.098 nan 8.380 nan 0.000 0.490 689 K N 1.610 122.079 120.400 0.115 0.000 2.211 689 K HA -0.059 4.280 4.320 0.031 0.000 0.203 689 K C 1.775 178.297 176.600 -0.130 0.000 1.050 689 K CA 0.914 57.160 56.287 -0.067 0.000 0.945 689 K CB 0.312 32.564 32.500 -0.413 0.000 0.732 689 K HN 0.472 nan 8.250 nan 0.000 0.451 690 R N 1.145 121.548 120.500 -0.162 0.000 2.062 690 R HA -0.021 4.338 4.340 0.031 0.000 0.229 690 R C 2.108 178.402 176.300 -0.010 0.000 1.128 690 R CA 1.043 57.023 56.100 -0.200 0.000 0.960 690 R CB -0.141 29.977 30.300 -0.305 0.000 0.855 690 R HN 0.067 nan 8.270 nan 0.000 0.432 691 I N 0.333 120.913 120.570 0.017 0.000 2.335 691 I HA -0.167 4.021 4.170 0.031 0.000 0.251 691 I C 2.228 178.330 176.117 -0.026 0.000 1.129 691 I CA 1.470 62.792 61.300 0.037 0.000 1.402 691 I CB -0.300 37.705 38.000 0.009 0.000 1.069 691 I HN 0.425 nan 8.210 nan 0.000 0.424 692 G N -0.922 107.878 108.800 0.000 0.000 2.551 692 G HA2 -0.222 3.757 3.960 0.031 0.000 0.216 692 G HA3 -0.222 3.757 3.960 0.031 0.000 0.216 692 G C 1.393 176.262 174.900 -0.052 0.000 1.137 692 G CA 0.523 45.550 45.100 -0.122 0.000 0.798 692 G HN 0.430 nan 8.290 nan 0.000 0.536 693 H N -0.175 118.887 119.070 -0.013 0.000 2.299 693 H HA 0.044 4.619 4.556 0.031 0.000 0.302 693 H C 2.105 177.366 175.328 -0.112 0.000 1.078 693 H CA 1.525 57.591 56.048 0.031 0.000 1.323 693 H CB -0.286 29.289 29.762 -0.311 0.000 1.381 693 H HN 0.310 nan 8.280 nan 0.000 0.498 694 F N -0.288 119.614 119.950 -0.081 0.000 2.171 694 F HA -0.145 4.401 4.527 0.032 0.000 0.300 694 F C 2.424 177.677 175.800 -0.913 0.000 1.090 694 F CA 0.727 58.393 58.000 -0.556 0.000 1.293 694 F CB -0.265 38.361 39.000 -0.622 0.000 1.013 694 F HN 0.246 nan 8.300 nan 0.000 0.486 695 L N -0.165 120.814 121.223 -0.406 0.000 2.042 695 L HA -0.237 4.122 4.340 0.031 0.000 0.210 695 L C 2.182 178.792 176.870 -0.433 0.000 1.076 695 L CA 1.617 56.225 54.840 -0.387 0.000 0.749 695 L CB -1.065 40.751 42.059 -0.406 0.000 0.893 695 L HN 0.171 nan 8.230 nan 0.000 0.432 696 F N -0.603 118.940 119.950 -0.680 0.000 2.025 696 F HA -0.297 4.249 4.527 0.031 0.000 0.297 696 F C 1.922 177.355 175.800 -0.611 0.000 1.132 696 F CA 2.295 59.826 58.000 -0.782 0.000 1.191 696 F CB -0.772 37.486 39.000 -1.237 0.000 0.963 696 F HN 0.140 nan 8.300 nan 0.000 0.481 697 W N -0.148 120.989 121.300 -0.272 0.000 2.363 697 W HA -0.133 4.546 4.660 0.031 0.000 0.296 697 W C 2.537 179.020 176.519 -0.060 0.000 1.212 697 W CA 1.428 58.671 57.345 -0.170 0.000 1.260 697 W CB -0.872 28.582 29.460 -0.010 0.000 1.131 697 W HN 0.056 nan 8.180 nan 0.000 0.530 698 F N -0.074 119.891 119.950 0.024 0.000 2.069 698 F HA -0.290 4.256 4.527 0.032 0.000 0.298 698 F C 2.224 177.839 175.800 -0.309 0.000 1.113 698 F CA 0.777 58.714 58.000 -0.106 0.000 1.214 698 F CB -1.028 37.902 39.000 -0.115 0.000 0.978 698 F HN -0.192 nan 8.300 nan 0.000 0.474 699 L N -0.130 120.951 121.223 -0.237 0.000 2.046 699 L HA -0.226 4.133 4.340 0.031 0.000 0.208 699 L C 2.605 179.224 176.870 -0.418 0.000 1.077 699 L CA 1.215 55.766 54.840 -0.482 0.000 0.747 699 L CB -0.613 41.184 42.059 -0.437 0.000 0.896 699 L HN 0.078 nan 8.230 nan 0.000 0.432 700 R N -0.370 119.837 120.500 -0.489 0.000 2.083 700 R HA -0.211 4.147 4.340 0.031 0.000 0.237 700 R C 2.620 178.823 176.300 -0.161 0.000 1.137 700 R CA 1.797 57.628 56.100 -0.448 0.000 0.951 700 R CB -0.338 29.504 30.300 -0.764 0.000 0.851 700 R HN 0.233 nan 8.270 nan 0.000 0.434 701 S N 0.208 115.887 115.700 -0.035 0.000 2.372 701 S HA -0.203 4.286 4.470 0.031 0.000 0.227 701 S C 1.733 176.321 174.600 -0.019 0.000 1.044 701 S CA 1.690 59.911 58.200 0.035 0.000 1.050 701 S CB -0.213 63.037 63.200 0.083 0.000 0.901 701 S HN 0.369 nan 8.310 nan 0.000 0.447 702 E N 0.929 121.062 120.200 -0.112 0.000 2.047 702 E HA -0.024 4.344 4.350 0.031 0.000 0.191 702 E C 2.143 178.771 176.600 0.048 0.000 0.987 702 E CA 1.032 57.396 56.400 -0.061 0.000 0.799 702 E CB -0.625 28.921 29.700 -0.256 0.000 0.752 702 E HN 0.620 nan 8.360 nan 0.000 0.449 703 I N 1.096 121.665 120.570 -0.003 0.000 2.145 703 I HA -0.334 3.855 4.170 0.031 0.000 0.244 703 I C 2.324 178.463 176.117 0.036 0.000 1.075 703 I CA 1.493 62.804 61.300 0.018 0.000 1.332 703 I CB -0.339 37.634 38.000 -0.044 0.000 1.033 703 I HN 0.023 nan 8.210 nan 0.000 0.410 704 A N 0.158 123.001 122.820 0.039 0.000 2.014 704 A HA -0.173 4.165 4.320 0.031 0.000 0.218 704 A C 1.971 179.608 177.584 0.088 0.000 1.163 704 A CA 1.457 53.537 52.037 0.072 0.000 0.652 704 A CB -0.320 18.728 19.000 0.079 0.000 0.808 704 A HN 0.701 nan 8.150 nan 0.000 0.449 705 Q N -1.544 118.307 119.800 0.084 0.000 2.112 705 Q HA 0.343 4.702 4.340 0.031 0.000 0.222 705 Q C -0.136 175.927 176.000 0.105 0.000 0.798 705 Q CA 0.325 56.184 55.803 0.093 0.000 1.060 705 Q CB 0.203 28.990 28.738 0.081 0.000 1.184 705 Q HN 0.260 nan 8.270 nan 0.000 0.475 706 S N 1.052 116.824 115.700 0.120 0.000 2.652 706 S HA 0.310 4.799 4.470 0.031 0.000 0.252 706 S C 0.430 175.110 174.600 0.134 0.000 1.219 706 S CA -0.759 57.533 58.200 0.154 0.000 1.151 706 S CB 0.677 63.996 63.200 0.198 0.000 1.080 706 S HN 0.475 nan 8.310 nan 0.000 0.481 707 R N 2.640 123.219 120.500 0.131 0.000 2.276 707 R HA 0.050 4.409 4.340 0.031 0.000 0.203 707 R C 0.705 177.024 176.300 0.032 0.000 1.017 707 R CA 0.791 56.958 56.100 0.112 0.000 1.010 707 R CB -0.501 29.916 30.300 0.196 0.000 0.900 707 R HN 0.626 nan 8.270 nan 0.000 0.469 708 H N -0.452 118.456 119.070 -0.271 0.000 2.423 708 H HA -0.036 4.539 4.556 0.032 0.000 0.297 708 H C 0.555 175.481 175.328 -0.669 0.000 1.075 708 H CA 1.488 57.126 56.048 -0.683 0.000 1.342 708 H CB 0.068 29.282 29.762 -0.914 0.000 1.395 708 H HN 0.256 nan 8.280 nan 0.000 0.530 709 Y N -0.063 120.225 120.300 -0.020 0.000 2.563 709 Y HA 0.007 4.576 4.550 0.031 0.000 0.250 709 Y C 2.093 177.896 175.900 -0.162 0.000 1.126 709 Y CA -0.351 57.657 58.100 -0.153 0.000 1.231 709 Y CB 0.547 38.870 38.460 -0.227 0.000 1.288 709 Y HN 0.187 nan 8.280 nan 0.000 0.537 710 Q N 0.632 120.432 119.800 0.001 0.000 2.077 710 Q HA -0.302 4.057 4.340 0.031 0.000 0.206 710 Q C 1.344 177.143 176.000 -0.335 0.000 0.989 710 Q CA 2.096 57.816 55.803 -0.138 0.000 0.853 710 Q CB -0.411 28.135 28.738 -0.320 0.000 0.907 710 Q HN 0.491 nan 8.270 nan 0.000 0.418 711 Q N 0.755 120.316 119.800 -0.398 0.000 2.029 711 Q HA -0.207 4.152 4.340 0.031 0.000 0.209 711 Q C 2.302 178.136 176.000 -0.277 0.000 0.999 711 Q CA 2.628 58.216 55.803 -0.359 0.000 0.857 711 Q CB -0.227 28.384 28.738 -0.212 0.000 0.926 711 Q HN 0.474 nan 8.270 nan 0.000 0.415 712 R N -0.450 119.873 120.500 -0.295 0.000 2.092 712 R HA -0.124 4.235 4.340 0.031 0.000 0.231 712 R C 1.991 178.195 176.300 -0.160 0.000 1.119 712 R CA 1.302 57.204 56.100 -0.330 0.000 0.970 712 R CB -0.287 29.864 30.300 -0.249 0.000 0.864 712 R HN 0.288 nan 8.270 nan 0.000 0.440 713 F N 0.761 120.660 119.950 -0.084 0.000 2.113 713 F HA -0.078 4.467 4.527 0.031 0.000 0.297 713 F C 2.722 178.456 175.800 -0.110 0.000 1.103 713 F CA 0.565 58.512 58.000 -0.089 0.000 1.248 713 F CB -0.244 38.701 39.000 -0.092 0.000 0.999 713 F HN 0.203 nan 8.300 nan 0.000 0.475 714 A N -0.080 122.773 122.820 0.055 0.000 1.948 714 A HA -0.195 4.144 4.320 0.031 0.000 0.220 714 A C 2.213 179.813 177.584 0.027 0.000 1.177 714 A CA 1.944 53.990 52.037 0.015 0.000 0.636 714 A CB -1.231 17.778 19.000 0.016 0.000 0.815 714 A HN 0.217 nan 8.150 nan 0.000 0.449 715 V N -0.184 119.731 119.914 0.003 0.000 2.515 715 V HA -0.216 3.923 4.120 0.031 0.000 0.250 715 V C 2.293 178.406 176.094 0.032 0.000 1.058 715 V CA 1.893 64.195 62.300 0.003 0.000 1.064 715 V CB -0.517 31.278 31.823 -0.047 0.000 0.675 715 V HN 0.590 nan 8.190 nan 0.000 0.461 716 I N -1.177 119.429 120.570 0.060 0.000 2.480 716 I HA -0.138 4.051 4.170 0.031 0.000 0.251 716 I C 2.268 178.428 176.117 0.072 0.000 1.124 716 I CA 0.938 62.289 61.300 0.086 0.000 1.444 716 I CB -0.153 37.931 38.000 0.140 0.000 1.098 716 I HN 0.244 nan 8.210 nan 0.000 0.428 717 L N 0.948 122.189 121.223 0.030 0.000 1.994 717 L HA -0.248 4.110 4.340 0.031 0.000 0.208 717 L C 2.658 179.551 176.870 0.040 0.000 1.071 717 L CA 1.857 56.687 54.840 -0.016 0.000 0.745 717 L CB -0.403 41.572 42.059 -0.140 0.000 0.892 717 L HN 0.341 nan 8.230 nan 0.000 0.431 718 E N -0.056 120.151 120.200 0.012 0.000 2.086 718 E HA -0.307 4.062 4.350 0.031 0.000 0.200 718 E C 1.986 178.598 176.600 0.021 0.000 1.012 718 E CA 1.595 57.995 56.400 -0.000 0.000 0.812 718 E CB -0.068 29.628 29.700 -0.007 0.000 0.743 718 E HN 0.571 nan 8.360 nan 0.000 0.453 719 A N 0.201 123.048 122.820 0.045 0.000 1.978 719 A HA -0.219 4.120 4.320 0.031 0.000 0.220 719 A C 2.029 179.655 177.584 0.069 0.000 1.170 719 A CA 1.623 53.692 52.037 0.053 0.000 0.636 719 A CB -0.892 18.145 19.000 0.062 0.000 0.810 719 A HN 0.617 nan 8.150 nan 0.000 0.448 720 Y N 0.527 120.827 120.300 -0.001 0.000 2.133 720 Y HA -0.106 4.463 4.550 0.032 0.000 0.287 720 Y C 1.913 177.835 175.900 0.038 0.000 1.134 720 Y CA 1.735 59.840 58.100 0.009 0.000 1.133 720 Y CB -0.408 38.040 38.460 -0.021 0.000 0.987 720 Y HN 0.199 nan 8.280 nan 0.000 0.502 721 L N 0.025 121.184 121.223 -0.105 0.000 2.191 721 L HA -0.190 4.169 4.340 0.031 0.000 0.212 721 L C 2.025 178.859 176.870 -0.060 0.000 1.103 721 L CA 1.279 56.041 54.840 -0.130 0.000 0.769 721 L CB -0.485 41.558 42.059 -0.027 0.000 0.908 721 L HN 0.130 nan 8.230 nan 0.000 0.438 722 R N -0.031 120.459 120.500 -0.016 0.000 2.328 722 R HA 0.052 4.411 4.340 0.031 0.000 0.206 722 R C 1.106 177.421 176.300 0.024 0.000 0.990 722 R CA 0.541 56.694 56.100 0.087 0.000 1.085 722 R CB 0.071 30.428 30.300 0.095 0.000 0.998 722 R HN 0.351 nan 8.270 nan 0.000 0.484 723 G N -1.116 107.638 108.800 -0.077 0.000 4.490 723 G HA2 -0.064 3.914 3.960 0.031 0.000 0.233 723 G HA3 -0.064 3.914 3.960 0.031 0.000 0.233 723 G C 0.751 175.557 174.900 -0.157 0.000 1.027 723 G CA -0.229 44.815 45.100 -0.094 0.000 0.829 723 G HN 0.379 nan 8.290 nan 0.000 0.343 724 C N -0.750 118.407 119.300 -0.239 0.000 2.512 724 C HA 0.602 5.080 4.460 0.031 0.000 0.276 724 C C 1.484 176.528 174.990 0.089 0.000 1.368 724 C CA 0.038 58.972 59.018 -0.139 0.000 1.755 724 C CB -0.673 26.863 27.740 -0.339 0.000 2.008 724 C HN 1.625 nan 8.230 nan 0.000 0.511 725 G N 1.319 110.145 108.800 0.042 0.000 3.373 725 G HA2 0.212 4.190 3.960 0.031 0.000 0.685 725 G HA3 0.212 4.190 3.960 0.031 0.000 0.685 725 G C 0.370 175.305 174.900 0.058 0.000 1.166 725 G CA 0.161 45.303 45.100 0.070 0.000 1.063 725 G HN 1.282 nan 8.290 nan 0.000 0.481 726 T N -0.270 114.320 114.554 0.060 0.000 2.850 726 T HA -0.389 3.980 4.350 0.031 0.000 0.232 726 T C 2.688 177.425 174.700 0.061 0.000 1.186 726 T CA 3.738 65.877 62.100 0.066 0.000 1.104 726 T CB -1.184 67.698 68.868 0.023 0.000 0.792 726 T HN 2.407 nan 8.240 nan 0.000 0.505 727 A N 2.559 125.390 122.820 0.019 0.000 1.859 727 A HA -0.126 4.212 4.320 0.031 0.000 0.218 727 A C 2.743 180.305 177.584 -0.036 0.000 1.242 727 A CA 2.936 54.967 52.037 -0.010 0.000 0.661 727 A CB -1.052 17.921 19.000 -0.044 0.000 0.842 727 A HN 0.698 nan 8.150 nan 0.000 0.455 728 M N -1.100 118.434 119.600 -0.109 0.000 2.149 728 M HA -0.116 4.383 4.480 0.031 0.000 0.261 728 M C 2.320 178.476 176.300 -0.239 0.000 1.064 728 M CA 1.359 56.483 55.300 -0.292 0.000 1.102 728 M CB -0.607 31.836 32.600 -0.261 0.000 1.369 728 M HN 0.474 nan 8.290 nan 0.000 0.408 729 L N -0.513 120.720 121.223 0.017 0.000 2.127 729 L HA -0.276 4.083 4.340 0.031 0.000 0.211 729 L C 2.588 179.501 176.870 0.072 0.000 1.089 729 L CA 1.617 56.532 54.840 0.126 0.000 0.757 729 L CB -0.396 41.757 42.059 0.156 0.000 0.899 729 L HN 0.359 nan 8.230 nan 0.000 0.434 730 H N -1.393 117.657 119.070 -0.033 0.000 2.415 730 H HA -0.144 4.431 4.556 0.031 0.000 0.297 730 H C 1.999 177.280 175.328 -0.079 0.000 1.048 730 H CA 1.457 57.486 56.048 -0.032 0.000 1.365 730 H CB 0.130 29.874 29.762 -0.030 0.000 1.421 730 H HN 0.233 nan 8.280 nan 0.000 0.533 731 D N 0.064 120.359 120.400 -0.175 0.000 2.084 731 D HA -0.182 4.477 4.640 0.031 0.000 0.194 731 D C 1.883 177.984 176.300 -0.331 0.000 0.990 731 D CA 1.129 54.959 54.000 -0.283 0.000 0.826 731 D CB -0.367 40.201 40.800 -0.388 0.000 0.971 731 D HN 0.430 nan 8.370 nan 0.000 0.453 732 F N 0.665 120.448 119.950 -0.279 0.000 2.250 732 F HA -0.173 4.373 4.527 0.031 0.000 0.301 732 F C 2.610 178.227 175.800 -0.305 0.000 1.077 732 F CA 1.108 58.820 58.000 -0.480 0.000 1.348 732 F CB -0.159 38.343 39.000 -0.830 0.000 1.040 732 F HN -0.021 nan 8.300 nan 0.000 0.509 733 T N -0.868 113.627 114.554 -0.098 0.000 2.812 733 T HA -0.157 4.212 4.350 0.031 0.000 0.264 733 T C 1.893 176.525 174.700 -0.114 0.000 1.042 733 T CA 0.965 63.004 62.100 -0.101 0.000 1.140 733 T CB -0.235 68.547 68.868 -0.144 0.000 0.870 733 T HN 0.292 nan 8.240 nan 0.000 0.445 734 Q N 1.130 120.814 119.800 -0.194 0.000 2.030 734 Q HA -0.190 4.169 4.340 0.031 0.000 0.204 734 Q C 2.540 178.542 176.000 0.003 0.000 0.986 734 Q CA 1.518 57.256 55.803 -0.109 0.000 0.843 734 Q CB -0.307 28.377 28.738 -0.089 0.000 0.904 734 Q HN 0.651 nan 8.270 nan 0.000 0.420 735 Q N -0.044 119.814 119.800 0.097 0.000 2.084 735 Q HA -0.128 4.231 4.340 0.031 0.000 0.202 735 Q C 2.239 178.420 176.000 0.302 0.000 0.978 735 Q CA 1.532 57.507 55.803 0.287 0.000 0.844 735 Q CB -0.092 28.914 28.738 0.448 0.000 0.898 735 Q HN 0.198 nan 8.270 nan 0.000 0.426 736 V N 1.068 121.115 119.914 0.221 0.000 2.427 736 V HA -0.255 3.884 4.120 0.031 0.000 0.248 736 V C 2.120 178.289 176.094 0.126 0.000 1.051 736 V CA 1.696 64.129 62.300 0.221 0.000 1.048 736 V CB -0.622 31.283 31.823 0.137 0.000 0.666 736 V HN 0.350 nan 8.190 nan 0.000 0.456 737 Q N -0.139 119.689 119.800 0.046 0.000 2.030 737 Q HA -0.192 4.167 4.340 0.031 0.000 0.204 737 Q C 2.385 178.364 176.000 -0.035 0.000 0.986 737 Q CA 2.237 58.039 55.803 -0.002 0.000 0.843 737 Q CB -0.433 28.283 28.738 -0.037 0.000 0.904 737 Q HN 0.560 nan 8.270 nan 0.000 0.420 738 V N 1.401 121.248 119.914 -0.111 0.000 2.261 738 V HA -0.247 3.892 4.120 0.031 0.000 0.246 738 V C 2.205 178.232 176.094 -0.112 0.000 1.047 738 V CA 1.964 64.113 62.300 -0.252 0.000 1.015 738 V CB -0.745 30.639 31.823 -0.733 0.000 0.642 738 V HN 0.501 nan 8.190 nan 0.000 0.446 739 I N -1.241 119.356 120.570 0.045 0.000 3.444 739 I HA 0.026 4.215 4.170 0.031 0.000 0.287 739 I C 1.893 178.126 176.117 0.192 0.000 1.302 739 I CA 1.349 62.776 61.300 0.212 0.000 1.368 739 I CB -0.615 37.606 38.000 0.368 0.000 1.048 739 I HN 0.275 nan 8.210 nan 0.000 0.487 740 E N 0.484 120.754 120.200 0.117 0.000 2.276 740 E HA 0.075 4.444 4.350 0.031 0.000 0.193 740 E C 2.065 178.685 176.600 0.033 0.000 0.983 740 E CA 0.382 56.842 56.400 0.100 0.000 0.861 740 E CB 0.035 29.790 29.700 0.093 0.000 0.817 740 E HN 0.537 nan 8.360 nan 0.000 0.485 741 M N 0.019 119.611 119.600 -0.014 0.000 2.098 741 M HA -0.082 4.417 4.480 0.031 0.000 0.262 741 M C 2.050 178.293 176.300 -0.095 0.000 1.072 741 M CA 1.208 56.480 55.300 -0.047 0.000 1.133 741 M CB -0.172 32.390 32.600 -0.063 0.000 1.344 741 M HN 0.131 nan 8.290 nan 0.000 0.414 742 L N -0.111 121.004 121.223 -0.181 0.000 2.187 742 L HA -0.229 4.130 4.340 0.031 0.000 0.213 742 L C 2.543 179.204 176.870 -0.348 0.000 1.100 742 L CA 1.158 55.758 54.840 -0.400 0.000 0.765 742 L CB -0.721 40.837 42.059 -0.836 0.000 0.904 742 L HN 0.427 nan 8.230 nan 0.000 0.437 743 Q N -0.214 119.517 119.800 -0.115 0.000 2.049 743 Q HA -0.187 4.172 4.340 0.031 0.000 0.198 743 Q C 2.286 178.300 176.000 0.024 0.000 0.971 743 Q CA 1.172 57.003 55.803 0.046 0.000 0.833 743 Q CB 0.012 28.839 28.738 0.149 0.000 0.896 743 Q HN 0.363 nan 8.270 nan 0.000 0.434 744 K N 0.358 120.759 120.400 0.002 0.000 2.103 744 K HA -0.089 4.250 4.320 0.031 0.000 0.204 744 K C 2.041 178.631 176.600 -0.017 0.000 1.052 744 K CA 0.689 56.975 56.287 -0.001 0.000 0.945 744 K CB 0.094 32.593 32.500 -0.001 0.000 0.722 744 K HN 0.045 nan 8.250 nan 0.000 0.443 745 V N 1.021 120.910 119.914 -0.041 0.000 2.282 745 V HA -0.300 3.839 4.120 0.031 0.000 0.249 745 V C 2.207 178.288 176.094 -0.023 0.000 1.057 745 V CA 2.354 64.627 62.300 -0.045 0.000 1.032 745 V CB -0.797 30.976 31.823 -0.083 0.000 0.645 745 V HN 0.399 nan 8.190 nan 0.000 0.447 746 T N 0.309 114.853 114.554 -0.018 0.000 2.737 746 T HA -0.082 4.287 4.350 0.031 0.000 0.265 746 T C 1.892 176.622 174.700 0.049 0.000 1.038 746 T CA 1.562 63.688 62.100 0.044 0.000 1.144 746 T CB -0.323 68.614 68.868 0.115 0.000 0.866 746 T HN 0.305 nan 8.240 nan 0.000 0.434 747 L N 0.950 122.187 121.223 0.025 0.000 2.083 747 L HA -0.126 4.232 4.340 0.031 0.000 0.209 747 L C 2.505 179.359 176.870 -0.026 0.000 1.083 747 L CA 1.144 55.965 54.840 -0.032 0.000 0.752 747 L CB -0.608 41.414 42.059 -0.062 0.000 0.899 747 L HN 0.148 nan 8.230 nan 0.000 0.433 748 D N 0.323 120.716 120.400 -0.012 0.000 2.077 748 D HA -0.175 4.483 4.640 0.031 0.000 0.193 748 D C 2.203 178.504 176.300 0.002 0.000 0.989 748 D CA 1.435 55.430 54.000 -0.008 0.000 0.831 748 D CB -0.231 40.564 40.800 -0.008 0.000 0.979 748 D HN 0.160 nan 8.370 nan 0.000 0.449 749 I N 1.155 121.732 120.570 0.011 0.000 2.248 749 I HA -0.263 3.926 4.170 0.031 0.000 0.248 749 I C 2.298 178.431 176.117 0.028 0.000 1.107 749 I CA 1.199 62.512 61.300 0.021 0.000 1.373 749 I CB -0.244 37.776 38.000 0.033 0.000 1.055 749 I HN -0.019 nan 8.210 nan 0.000 0.418 750 K N -0.043 120.376 120.400 0.032 0.000 2.057 750 K HA -0.166 4.172 4.320 0.031 0.000 0.207 750 K C 2.347 178.960 176.600 0.022 0.000 1.049 750 K CA 1.614 57.924 56.287 0.039 0.000 0.931 750 K CB -0.157 32.369 32.500 0.044 0.000 0.714 750 K HN 0.151 nan 8.250 nan 0.000 0.440 751 S N 0.493 116.196 115.700 0.004 0.000 2.419 751 S HA -0.001 4.488 4.470 0.031 0.000 0.233 751 S C 0.687 175.291 174.600 0.007 0.000 1.016 751 S CA 0.659 58.859 58.200 0.000 0.000 0.974 751 S CB -0.083 63.111 63.200 -0.010 0.000 0.786 751 S HN 0.252 nan 8.310 nan 0.000 0.492 752 L N 1.755 122.984 121.223 0.010 0.000 2.536 752 L HA 0.370 4.728 4.340 0.031 0.000 0.242 752 L C 0.247 177.126 176.870 0.015 0.000 1.280 752 L CA -0.434 54.413 54.840 0.011 0.000 1.221 752 L CB -0.050 42.015 42.059 0.009 0.000 1.449 752 L HN 0.049 nan 8.230 nan 0.000 0.405 761 S N 1.676 117.375 115.700 -0.001 0.000 2.370 761 S HA -0.181 4.307 4.470 0.031 0.000 0.226 761 S C 1.472 176.072 174.600 -0.000 0.000 1.033 761 S CA 1.249 59.448 58.200 -0.002 0.000 1.011 761 S CB -0.777 62.421 63.200 -0.003 0.000 0.852 761 S HN 0.755 nan 8.310 nan 0.000 0.457 762 Q N 0.242 120.043 119.800 0.001 0.000 2.488 762 Q HA 0.098 4.457 4.340 0.031 0.000 0.211 762 Q C 1.606 177.608 176.000 0.004 0.000 0.967 762 Q CA 0.767 56.571 55.803 0.002 0.000 0.926 762 Q CB 0.053 28.792 28.738 0.002 0.000 0.992 762 Q HN 0.604 nan 8.270 nan 0.000 0.506 763 V N -0.701 119.216 119.914 0.005 0.000 3.455 763 V HA -0.017 4.122 4.120 0.031 0.000 0.250 763 V C 1.758 177.857 176.094 0.009 0.000 1.230 763 V CA 0.248 62.552 62.300 0.008 0.000 1.105 763 V CB 0.117 31.947 31.823 0.012 0.000 0.850 763 V HN 0.200 nan 8.190 nan 0.000 0.461 764 I N 0.442 121.016 120.570 0.006 0.000 2.850 764 I HA -0.176 4.013 4.170 0.031 0.000 0.266 764 I C 2.441 178.561 176.117 0.004 0.000 1.257 764 I CA 1.414 62.717 61.300 0.005 0.000 1.465 764 I CB -0.306 37.694 38.000 -0.001 0.000 1.091 764 I HN 0.281 nan 8.210 nan 0.000 0.467 765 S N 0.496 116.198 115.700 0.003 0.000 2.371 765 S HA -0.136 4.353 4.470 0.031 0.000 0.221 765 S C 1.997 176.598 174.600 0.002 0.000 1.036 765 S CA 1.041 59.242 58.200 0.002 0.000 0.965 765 S CB 0.045 63.246 63.200 0.001 0.000 0.845 765 S HN 0.376 nan 8.310 nan 0.000 0.475 766 Q N 1.215 121.016 119.800 0.003 0.000 2.084 766 Q HA 0.059 4.418 4.340 0.031 0.000 0.202 766 Q C 2.144 178.145 176.000 0.001 0.000 0.978 766 Q CA 1.223 57.027 55.803 0.002 0.000 0.844 766 Q CB -0.432 28.308 28.738 0.003 0.000 0.898 766 Q HN 0.471 nan 8.270 nan 0.000 0.426 767 L N 0.373 121.599 121.223 0.005 0.000 2.012 767 L HA -0.254 4.105 4.340 0.031 0.000 0.210 767 L C 1.615 178.485 176.870 -0.000 0.000 1.073 767 L CA 1.336 56.180 54.840 0.006 0.000 0.748 767 L CB -0.121 41.950 42.059 0.019 0.000 0.891 767 L HN 0.200 nan 8.230 nan 0.000 0.431 768 K N -0.402 119.999 120.400 0.001 0.000 2.209 768 K HA -0.212 4.127 4.320 0.031 0.000 0.204 768 K C 1.941 178.538 176.600 -0.006 0.000 1.048 768 K CA 1.277 57.563 56.287 -0.003 0.000 0.940 768 K CB -0.335 32.164 32.500 -0.001 0.000 0.729 768 K HN 0.439 nan 8.250 nan 0.000 0.451 769 Q N 0.904 120.701 119.800 -0.005 0.000 2.062 769 Q HA 0.008 4.367 4.340 0.031 0.000 0.196 769 Q C 1.914 177.908 176.000 -0.009 0.000 0.967 769 Q CA 1.306 57.105 55.803 -0.006 0.000 0.832 769 Q CB 0.175 28.910 28.738 -0.004 0.000 0.899 769 Q HN 0.228 nan 8.270 nan 0.000 0.442 770 K N 0.227 120.621 120.400 -0.011 0.000 2.057 770 K HA -0.108 4.231 4.320 0.031 0.000 0.207 770 K C 1.952 178.539 176.600 -0.022 0.000 1.049 770 K CA 1.079 57.356 56.287 -0.016 0.000 0.931 770 K CB -0.201 32.288 32.500 -0.018 0.000 0.714 770 K HN 0.223 nan 8.250 nan 0.000 0.440 771 L N 1.117 122.324 121.223 -0.025 0.000 2.261 771 L HA -0.195 4.164 4.340 0.031 0.000 0.216 771 L C 1.954 178.808 176.870 -0.027 0.000 1.114 771 L CA 1.256 56.075 54.840 -0.035 0.000 0.777 771 L CB -0.571 41.462 42.059 -0.043 0.000 0.910 771 L HN 0.265 nan 8.230 nan 0.000 0.440 772 E N 0.081 120.270 120.200 -0.018 0.000 2.028 772 E HA -0.137 4.232 4.350 0.031 0.000 0.190 772 E C 1.856 178.450 176.600 -0.010 0.000 0.984 772 E CA 0.750 57.143 56.400 -0.012 0.000 0.800 772 E CB -0.107 29.589 29.700 -0.007 0.000 0.758 772 E HN 0.443 nan 8.360 nan 0.000 0.448 773 N N 0.954 119.648 118.700 -0.011 0.000 2.055 773 N HA -0.254 4.505 4.740 0.031 0.000 0.200 773 N C 1.965 177.468 175.510 -0.011 0.000 1.037 773 N CA 1.576 54.620 53.050 -0.010 0.000 0.881 773 N CB -0.388 38.092 38.487 -0.012 0.000 1.075 773 N HN 0.099 nan 8.380 nan 0.000 0.470 774 L N 0.695 121.907 121.223 -0.018 0.000 2.079 774 L HA -0.192 4.167 4.340 0.031 0.000 0.210 774 L C 2.424 179.286 176.870 -0.013 0.000 1.081 774 L CA 1.099 55.926 54.840 -0.021 0.000 0.752 774 L CB -0.439 41.600 42.059 -0.034 0.000 0.896 774 L HN 0.243 nan 8.230 nan 0.000 0.433 775 Q N 0.201 119.996 119.800 -0.008 0.000 2.500 775 Q HA -0.107 4.251 4.340 0.031 0.000 0.213 775 Q C 1.549 177.553 176.000 0.007 0.000 0.974 775 Q CA 0.914 56.719 55.803 0.004 0.000 0.918 775 Q CB -0.018 28.721 28.738 0.002 0.000 0.980 775 Q HN 0.421 nan 8.270 nan 0.000 0.505 776 N N -1.590 117.112 118.700 0.002 0.000 2.124 776 N HA 0.022 4.781 4.740 0.031 0.000 0.189 776 N C 1.003 176.517 175.510 0.007 0.000 1.050 776 N CA 1.791 54.844 53.050 0.005 0.000 0.848 776 N CB -0.169 38.319 38.487 0.002 0.000 1.027 776 N HN 0.082 nan 8.380 nan 0.000 0.435 777 S N -0.865 114.837 115.700 0.004 0.000 3.056 777 S HA 0.141 4.630 4.470 0.031 0.000 0.255 777 S C 1.597 176.200 174.600 0.004 0.000 1.079 777 S CA -0.197 58.006 58.200 0.006 0.000 0.810 777 S CB 0.210 63.413 63.200 0.005 0.000 0.810 777 S HN 0.126 nan 8.310 nan 0.000 0.477 778 Q N 1.796 121.594 119.800 -0.003 0.000 1.916 778 Q HA 0.142 4.501 4.340 0.031 0.000 0.203 778 Q C 0.778 176.768 176.000 -0.016 0.000 0.983 778 Q CA 0.497 56.295 55.803 -0.008 0.000 0.846 778 Q CB -0.923 27.807 28.738 -0.013 0.000 0.909 778 Q HN 0.410 nan 8.270 nan 0.000 0.427 779 L N 4.393 125.599 121.223 -0.028 0.000 2.878 779 L HA 0.008 4.367 4.340 0.031 0.000 0.285 779 L C -2.257 174.597 176.870 -0.027 0.000 1.090 779 L CA -0.893 53.918 54.840 -0.049 0.000 1.030 779 L CB -0.621 41.410 42.059 -0.046 0.000 1.431 779 L HN 0.094 nan 8.230 nan 0.000 0.456 780 P HA -0.009 nan 4.420 nan 0.000 0.270 780 P C 0.458 177.779 177.300 0.036 0.000 1.227 780 P CA -0.122 62.982 63.100 0.006 0.000 0.788 780 P CB 0.556 32.257 31.700 0.002 0.000 0.926 781 E N -0.088 120.149 120.200 0.062 0.000 2.049 781 E HA -0.118 4.250 4.350 0.031 0.000 0.198 781 E C 1.202 177.883 176.600 0.135 0.000 1.007 781 E CA 1.774 58.224 56.400 0.083 0.000 0.809 781 E CB -0.210 29.533 29.700 0.071 0.000 0.749 781 E HN 0.657 nan 8.360 nan 0.000 0.450 782 S N -0.901 114.892 115.700 0.156 0.000 2.921 782 S HA 0.633 5.122 4.470 0.031 0.000 0.315 782 S C -0.712 174.136 174.600 0.413 0.000 1.087 782 S CA -0.696 57.653 58.200 0.249 0.000 0.877 782 S CB 1.888 65.161 63.200 0.121 0.000 1.340 782 S HN 0.233 nan 8.310 nan 0.000 0.622 783 F N -2.161 117.752 119.950 -0.062 0.000 2.742 783 F HA 0.449 4.995 4.527 0.031 0.000 0.318 783 F C -1.240 174.475 175.800 -0.142 0.000 1.092 783 F CA -1.181 56.765 58.000 -0.090 0.000 0.976 783 F CB 0.289 39.247 39.000 -0.070 0.000 1.244 783 F HN 0.735 nan 8.300 nan 0.000 0.470 784 R N 2.124 122.515 120.500 -0.181 0.000 2.538 784 R HA 0.429 4.788 4.340 0.031 0.000 0.282 784 R C -0.637 175.356 176.300 -0.511 0.000 1.009 784 R CA -0.518 55.377 56.100 -0.343 0.000 1.063 784 R CB 0.855 31.017 30.300 -0.232 0.000 0.945 784 R HN 0.556 nan 8.270 nan 0.000 0.414 785 V N 6.832 126.335 119.914 -0.684 0.000 2.450 785 V HA -0.011 4.128 4.120 0.031 0.000 0.281 785 V C -1.310 174.418 176.094 -0.610 0.000 1.019 785 V CA -0.898 60.927 62.300 -0.791 0.000 1.062 785 V CB 1.020 32.291 31.823 -0.919 0.000 0.979 785 V HN 0.669 nan 8.190 nan 0.000 0.477 786 P HA -0.163 nan 4.420 nan 0.000 0.218 786 P C 1.124 178.322 177.300 -0.170 0.000 1.148 786 P CA 1.494 64.391 63.100 -0.338 0.000 0.822 786 P CB -0.017 31.154 31.700 -0.882 0.000 0.784 787 Y N -2.468 117.770 120.300 -0.104 0.000 2.511 787 Y HA 0.355 4.923 4.550 0.031 0.000 0.279 787 Y C 0.166 176.139 175.900 0.121 0.000 1.157 787 Y CA -0.449 57.700 58.100 0.082 0.000 1.300 787 Y CB -0.608 37.865 38.460 0.022 0.000 1.052 787 Y HN -0.169 nan 8.280 nan 0.000 0.529 788 D N 1.492 121.803 120.400 -0.149 0.000 2.381 788 D HA 0.211 4.870 4.640 0.031 0.000 0.245 788 D C -2.386 173.692 176.300 -0.369 0.000 1.297 788 D CA -2.405 51.538 54.000 -0.095 0.000 0.931 788 D CB 1.556 42.340 40.800 -0.027 0.000 1.334 788 D HN -0.088 nan 8.370 nan 0.000 0.535 789 P HA 0.002 nan 4.420 nan 0.000 0.225 789 P C 1.198 178.186 177.300 -0.519 0.000 1.148 789 P CA 0.584 63.177 63.100 -0.845 0.000 0.779 789 P CB 0.305 31.253 31.700 -1.253 0.000 0.780 790 G N -0.803 107.789 108.800 -0.346 0.000 2.985 790 G HA2 0.102 4.080 3.960 0.031 0.000 0.209 790 G HA3 0.102 4.080 3.960 0.031 0.000 0.209 790 G C 0.461 175.198 174.900 -0.271 0.000 1.165 790 G CA -0.084 44.858 45.100 -0.263 0.000 0.776 790 G HN 0.206 nan 8.290 nan 0.000 0.541 791 L N 1.451 122.496 121.223 -0.297 0.000 2.298 791 L HA 0.377 4.736 4.340 0.031 0.000 0.284 791 L C -0.433 176.227 176.870 -0.349 0.000 1.013 791 L CA -0.459 54.210 54.840 -0.286 0.000 0.824 791 L CB 1.735 43.635 42.059 -0.264 0.000 1.221 791 L HN -0.029 nan 8.230 nan 0.000 0.418 792 K N 3.186 123.414 120.400 -0.286 0.000 2.248 792 K HA 0.512 4.851 4.320 0.031 0.000 0.281 792 K C -0.240 176.181 176.600 -0.299 0.000 1.054 792 K CA -0.372 55.736 56.287 -0.298 0.000 0.903 792 K CB 2.035 34.427 32.500 -0.180 0.000 1.077 792 K HN 0.613 nan 8.250 nan 0.000 0.474 793 A N 2.840 125.355 122.820 -0.509 0.000 2.301 793 A HA 0.553 4.891 4.320 0.031 0.000 0.298 793 A C 0.545 178.143 177.584 0.024 0.000 1.185 793 A CA -0.254 51.560 52.037 -0.373 0.000 0.830 793 A CB 1.007 19.464 19.000 -0.905 0.000 1.112 793 A HN 0.857 nan 8.150 nan 0.000 0.508 794 G N 0.795 109.689 108.800 0.157 0.000 3.411 794 G HA2 0.532 4.510 3.960 0.031 0.000 0.186 794 G HA3 0.532 4.510 3.960 0.031 0.000 0.186 794 G C 0.583 175.671 174.900 0.314 0.000 1.766 794 G CA 0.244 45.471 45.100 0.211 0.000 0.971 794 G HN 1.371 nan 8.290 nan 0.000 0.590 795 A N -0.673 122.276 122.820 0.216 0.000 2.371 795 A HA 0.589 4.928 4.320 0.031 0.000 0.257 795 A C 0.627 178.319 177.584 0.180 0.000 1.089 795 A CA -0.411 51.734 52.037 0.180 0.000 0.794 795 A CB 0.102 19.162 19.000 0.100 0.000 1.029 795 A HN 0.480 nan 8.150 nan 0.000 0.488 796 L N 0.677 121.945 121.223 0.075 0.000 2.264 796 L HA 0.257 4.616 4.340 0.031 0.000 0.187 796 L C 1.076 177.879 176.870 -0.111 0.000 1.080 796 L CA 1.059 55.780 54.840 -0.199 0.000 0.886 796 L CB 0.151 42.070 42.059 -0.234 0.000 1.271 796 L HN 0.853 nan 8.230 nan 0.000 0.552 797 A N -0.471 122.262 122.820 -0.146 0.000 3.399 797 A HA 0.274 4.613 4.320 0.031 0.000 0.262 797 A C 0.700 178.260 177.584 -0.040 0.000 1.145 797 A CA -0.545 51.462 52.037 -0.049 0.000 0.916 797 A CB -0.174 18.820 19.000 -0.010 0.000 1.360 797 A HN 0.492 nan 8.150 nan 0.000 0.628 798 I N 0.499 121.044 120.570 -0.042 0.000 2.229 798 I HA -0.378 3.811 4.170 0.031 0.000 0.250 798 I C 2.172 178.288 176.117 -0.002 0.000 1.096 798 I CA 2.366 63.650 61.300 -0.027 0.000 1.358 798 I CB -1.851 36.137 38.000 -0.020 0.000 1.047 798 I HN 0.825 nan 8.210 nan 0.000 0.422 799 E N 2.676 122.878 120.200 0.004 0.000 2.108 799 E HA -0.275 4.094 4.350 0.031 0.000 0.203 799 E C 1.830 178.444 176.600 0.023 0.000 1.022 799 E CA 1.809 58.217 56.400 0.013 0.000 0.823 799 E CB -0.496 29.215 29.700 0.018 0.000 0.744 799 E HN 0.612 nan 8.360 nan 0.000 0.456 800 K N 0.053 120.480 120.400 0.045 0.000 2.352 800 K HA 0.166 4.505 4.320 0.031 0.000 0.194 800 K C 0.620 177.298 176.600 0.131 0.000 1.038 800 K CA 0.222 56.559 56.287 0.084 0.000 1.023 800 K CB 0.356 32.940 32.500 0.139 0.000 0.840 800 K HN 0.146 nan 8.250 nan 0.000 0.519 801 C N 2.606 121.975 119.300 0.114 0.000 2.580 801 C HA 0.336 4.815 4.460 0.031 0.000 0.371 801 C C 0.376 175.433 174.990 0.112 0.000 1.308 801 C CA -0.618 58.500 59.018 0.166 0.000 2.428 801 C CB -0.218 27.562 27.740 0.066 0.000 2.529 801 C HN 0.502 nan 8.230 nan 0.000 0.657 802 K N -0.582 119.907 120.400 0.148 0.000 2.736 802 K HA 0.584 4.922 4.320 0.031 0.000 0.290 802 K C -1.761 174.911 176.600 0.120 0.000 1.033 802 K CA -0.729 55.606 56.287 0.080 0.000 0.852 802 K CB 0.412 32.906 32.500 -0.010 0.000 1.494 802 K HN 0.309 nan 8.250 nan 0.000 0.378 803 V N 1.153 121.113 119.914 0.076 0.000 3.369 803 V HA 0.538 4.676 4.120 0.031 0.000 0.309 803 V C 0.254 176.392 176.094 0.074 0.000 1.069 803 V CA -0.784 61.570 62.300 0.090 0.000 1.042 803 V CB 1.236 33.096 31.823 0.063 0.000 1.192 803 V HN 0.724 nan 8.190 nan 0.000 0.447 804 M N 0.515 120.164 119.600 0.082 0.000 2.631 804 M HA 0.552 5.051 4.480 0.031 0.000 0.288 804 M C -0.316 176.011 176.300 0.044 0.000 1.260 804 M CA -0.694 54.643 55.300 0.062 0.000 0.842 804 M CB 2.193 34.859 32.600 0.110 0.000 1.743 804 M HN 0.624 nan 8.290 nan 0.000 0.461 805 A N 1.686 124.520 122.820 0.023 0.000 3.033 805 A HA 0.378 4.717 4.320 0.031 0.000 0.250 805 A C 0.136 177.731 177.584 0.018 0.000 1.633 805 A CA 0.081 52.127 52.037 0.014 0.000 1.290 805 A CB -0.524 18.474 19.000 -0.003 0.000 1.048 805 A HN 0.611 nan 8.150 nan 0.000 0.648 806 S N -0.762 114.960 115.700 0.035 0.000 2.651 806 S HA 0.424 4.913 4.470 0.031 0.000 0.291 806 S C 1.211 175.833 174.600 0.037 0.000 1.141 806 S CA -0.615 57.606 58.200 0.035 0.000 1.027 806 S CB 0.994 64.227 63.200 0.054 0.000 1.043 806 S HN 0.512 nan 8.310 nan 0.000 0.530 807 K N 1.809 122.228 120.400 0.033 0.000 2.020 807 K HA -0.100 4.239 4.320 0.031 0.000 0.212 807 K C 0.609 177.242 176.600 0.055 0.000 1.050 807 K CA 1.477 57.786 56.287 0.036 0.000 0.929 807 K CB -0.243 32.278 32.500 0.035 0.000 0.714 807 K HN 0.587 nan 8.250 nan 0.000 0.443 808 K N 1.288 121.731 120.400 0.072 0.000 2.138 808 K HA 0.153 4.491 4.320 0.031 0.000 0.251 808 K C -0.310 176.348 176.600 0.096 0.000 1.015 808 K CA -0.271 56.075 56.287 0.099 0.000 0.917 808 K CB 0.486 33.060 32.500 0.123 0.000 1.021 808 K HN -0.231 nan 8.250 nan 0.000 0.485 809 K N 2.107 122.573 120.400 0.110 0.000 2.540 809 K HA 0.294 4.633 4.320 0.031 0.000 0.218 809 K C -2.534 174.145 176.600 0.132 0.000 1.017 809 K CA -1.928 54.421 56.287 0.103 0.000 1.029 809 K CB 1.158 33.706 32.500 0.080 0.000 1.348 809 K HN 0.517 nan 8.250 nan 0.000 0.508 810 P HA 0.222 nan 4.420 nan 0.000 0.285 810 P C -0.383 177.045 177.300 0.213 0.000 1.259 810 P CA -0.756 62.458 63.100 0.189 0.000 0.794 810 P CB 0.884 32.690 31.700 0.176 0.000 0.940 811 L N 3.576 124.948 121.223 0.248 0.000 2.380 811 L HA 0.225 4.584 4.340 0.031 0.000 0.273 811 L C 0.519 177.595 176.870 0.343 0.000 1.138 811 L CA 0.211 55.208 54.840 0.262 0.000 0.832 811 L CB -0.257 41.936 42.059 0.223 0.000 1.124 811 L HN 0.515 nan 8.230 nan 0.000 0.454 812 W N 6.634 128.013 121.300 0.132 0.000 2.253 812 W HA 0.401 5.080 4.660 0.031 0.000 0.348 812 W C -1.447 175.148 176.519 0.127 0.000 0.920 812 W CA -0.912 56.513 57.345 0.133 0.000 1.518 812 W CB 0.287 29.799 29.460 0.088 0.000 1.446 812 W HN 0.351 nan 8.180 nan 0.000 0.361 813 L N 4.706 126.058 121.223 0.214 0.000 2.399 813 L HA 0.440 4.799 4.340 0.031 0.000 0.266 813 L C 0.412 177.317 176.870 0.059 0.000 1.114 813 L CA -0.310 54.617 54.840 0.144 0.000 0.804 813 L CB 1.119 43.316 42.059 0.231 0.000 1.146 813 L HN 0.196 nan 8.230 nan 0.000 0.451 814 E N 1.668 121.827 120.200 -0.068 0.000 2.314 814 E HA 0.573 4.942 4.350 0.031 0.000 0.272 814 E C -1.636 174.851 176.600 -0.188 0.000 0.884 814 E CA -0.591 55.826 56.400 0.028 0.000 0.753 814 E CB 2.710 32.499 29.700 0.147 0.000 1.213 814 E HN 0.214 nan 8.360 nan 0.000 0.432 815 F N 0.841 120.851 119.950 0.100 0.000 2.577 815 F HA 0.368 4.914 4.527 0.031 0.000 0.318 815 F C 0.377 176.218 175.800 0.069 0.000 1.065 815 F CA -0.966 57.094 58.000 0.100 0.000 0.929 815 F CB 1.665 40.732 39.000 0.111 0.000 1.237 815 F HN 0.121 nan 8.300 nan 0.000 0.468 816 K N 1.308 121.859 120.400 0.251 0.000 2.218 816 K HA 0.303 4.642 4.320 0.031 0.000 0.276 816 K C -0.535 176.145 176.600 0.134 0.000 1.022 816 K CA -0.435 55.945 56.287 0.155 0.000 0.946 816 K CB 1.039 33.611 32.500 0.119 0.000 1.000 816 K HN 0.824 nan 8.250 nan 0.000 0.468 817 C N 3.798 123.144 119.300 0.075 0.000 2.648 817 C HA 0.213 4.691 4.460 0.031 0.000 0.419 817 C C 1.589 176.592 174.990 0.022 0.000 1.352 817 C CA 0.015 59.046 59.018 0.022 0.000 1.816 817 C CB -0.725 27.017 27.740 0.004 0.000 2.598 817 C HN 0.873 nan 8.230 nan 0.000 0.598 818 A N 3.468 126.285 122.820 -0.004 0.000 2.206 818 A HA 0.103 4.442 4.320 0.031 0.000 0.211 818 A C 0.657 178.239 177.584 -0.003 0.000 1.158 818 A CA 0.823 52.868 52.037 0.013 0.000 0.761 818 A CB -0.250 18.755 19.000 0.008 0.000 0.801 818 A HN 0.917 nan 8.150 nan 0.000 0.473 819 D N -1.178 119.208 120.400 -0.023 0.000 2.344 819 D HA 0.421 5.080 4.640 0.031 0.000 0.239 819 D C -1.893 174.398 176.300 -0.015 0.000 1.064 819 D CA -2.188 51.794 54.000 -0.030 0.000 0.829 819 D CB 1.683 42.443 40.800 -0.067 0.000 1.129 819 D HN -0.126 nan 8.370 nan 0.000 0.506 820 P HA -0.140 nan 4.420 nan 0.000 0.215 820 P C 1.152 178.458 177.300 0.011 0.000 1.157 820 P CA 1.804 64.909 63.100 0.009 0.000 0.874 820 P CB -0.112 31.595 31.700 0.011 0.000 0.790 821 T N -2.718 111.834 114.554 -0.003 0.000 3.052 821 T HA 0.031 4.400 4.350 0.031 0.000 0.270 821 T C 0.936 175.639 174.700 0.004 0.000 1.147 821 T CA 0.395 62.498 62.100 0.004 0.000 1.089 821 T CB -1.195 67.654 68.868 -0.032 0.000 0.875 821 T HN 0.185 nan 8.240 nan 0.000 0.541 822 A N 2.075 124.892 122.820 -0.005 0.000 2.587 822 A HA 0.365 4.704 4.320 0.031 0.000 0.233 822 A C 1.501 179.100 177.584 0.025 0.000 1.049 822 A CA -0.133 51.903 52.037 -0.002 0.000 0.754 822 A CB -0.011 18.991 19.000 0.004 0.000 0.977 822 A HN 0.528 nan 8.150 nan 0.000 0.509 823 L N 1.450 122.682 121.223 0.014 0.000 2.341 823 L HA 0.238 4.597 4.340 0.031 0.000 0.214 823 L C 1.031 177.911 176.870 0.016 0.000 1.115 823 L CA 1.508 56.354 54.840 0.010 0.000 0.820 823 L CB -2.112 39.889 42.059 -0.096 0.000 0.944 823 L HN 0.621 nan 8.230 nan 0.000 0.452 824 S N -0.665 115.049 115.700 0.024 0.000 3.081 824 S HA 0.531 5.020 4.470 0.031 0.000 0.316 824 S C 0.162 174.786 174.600 0.040 0.000 1.089 824 S CA -0.395 57.825 58.200 0.032 0.000 0.897 824 S CB 0.865 64.086 63.200 0.035 0.000 1.358 824 S HN 0.392 nan 8.310 nan 0.000 0.678 825 N N 0.397 119.125 118.700 0.046 0.000 2.110 825 N HA 0.143 4.902 4.740 0.031 0.000 0.230 825 N C -1.309 174.238 175.510 0.061 0.000 1.353 825 N CA 0.014 53.094 53.050 0.050 0.000 0.807 825 N CB 0.748 39.263 38.487 0.047 0.000 1.244 825 N HN 0.529 nan 8.380 nan 0.000 0.504 826 E N 2.377 122.616 120.200 0.066 0.000 2.406 826 E HA 0.002 4.371 4.350 0.031 0.000 0.258 826 E C 0.807 177.459 176.600 0.087 0.000 1.043 826 E CA 0.272 56.721 56.400 0.080 0.000 0.929 826 E CB 0.567 30.317 29.700 0.083 0.000 0.969 826 E HN 0.207 nan 8.360 nan 0.000 0.462 827 T N 0.693 115.308 114.554 0.102 0.000 2.560 827 T HA 0.081 4.450 4.350 0.031 0.000 0.354 827 T C 0.477 175.250 174.700 0.121 0.000 1.051 827 T CA -0.217 61.954 62.100 0.119 0.000 1.032 827 T CB 0.362 69.314 68.868 0.139 0.000 1.057 827 T HN 0.286 nan 8.240 nan 0.000 0.529 828 I N 0.722 121.387 120.570 0.157 0.000 2.362 828 I HA 0.522 4.711 4.170 0.031 0.000 0.289 828 I C 0.696 176.936 176.117 0.205 0.000 0.994 828 I CA -0.693 60.691 61.300 0.141 0.000 1.158 828 I CB 1.573 39.611 38.000 0.064 0.000 1.315 828 I HN 0.900 nan 8.210 nan 0.000 0.451 829 G N 7.592 116.455 108.800 0.105 0.000 2.384 829 G HA2 0.759 4.738 3.960 0.031 0.000 0.316 829 G HA3 0.759 4.738 3.960 0.031 0.000 0.316 829 G C -0.704 174.171 174.900 -0.042 0.000 1.160 829 G CA -0.298 44.790 45.100 -0.019 0.000 0.936 829 G HN 0.460 nan 8.290 nan 0.000 0.455 830 I N 1.803 122.401 120.570 0.048 0.000 2.689 830 I HA 0.449 4.638 4.170 0.031 0.000 0.299 830 I C -0.533 175.588 176.117 0.007 0.000 1.059 830 I CA -0.975 60.363 61.300 0.064 0.000 1.055 830 I CB 2.748 40.883 38.000 0.224 0.000 1.243 830 I HN 0.214 nan 8.210 nan 0.000 0.425 831 I N 4.679 125.204 120.570 -0.075 0.000 2.355 831 I HA 0.320 4.509 4.170 0.031 0.000 0.288 831 I C -0.955 175.166 176.117 0.007 0.000 0.999 831 I CA -0.390 60.923 61.300 0.023 0.000 1.163 831 I CB 0.992 38.979 38.000 -0.021 0.000 1.316 831 I HN 0.277 nan 8.210 nan 0.000 0.454 832 F N 5.676 125.696 119.950 0.116 0.000 2.394 832 F HA 0.490 5.036 4.527 0.032 0.000 0.340 832 F C 0.336 176.210 175.800 0.124 0.000 1.105 832 F CA -0.416 57.658 58.000 0.124 0.000 1.124 832 F CB 1.177 40.259 39.000 0.137 0.000 1.145 832 F HN 0.324 nan 8.300 nan 0.000 0.505 833 K N 1.981 122.536 120.400 0.257 0.000 2.501 833 K HA 0.418 4.757 4.320 0.031 0.000 0.252 833 K C -2.010 174.721 176.600 0.217 0.000 0.934 833 K CA -0.754 55.656 56.287 0.205 0.000 0.797 833 K CB 1.250 33.827 32.500 0.128 0.000 1.270 833 K HN 0.701 nan 8.250 nan 0.000 0.431 834 H N 1.797 120.943 119.070 0.127 0.000 2.466 834 H HA 0.559 5.133 4.556 0.032 0.000 0.338 834 H C 0.628 176.010 175.328 0.090 0.000 1.091 834 H CA 0.861 56.974 56.048 0.107 0.000 1.207 834 H CB 1.836 31.658 29.762 0.101 0.000 1.466 834 H HN 0.847 nan 8.280 nan 0.000 0.493 835 G N 3.830 112.291 108.800 -0.565 0.000 2.231 835 G HA2 -0.200 3.779 3.960 0.031 0.000 0.206 835 G HA3 -0.200 3.779 3.960 0.031 0.000 0.206 835 G C -0.593 174.232 174.900 -0.126 0.000 0.996 835 G CA -0.042 44.848 45.100 -0.350 0.000 0.645 835 G HN 0.645 nan 8.290 nan 0.000 0.498 836 D N 1.097 121.456 120.400 -0.068 0.000 2.210 836 D HA 0.452 5.111 4.640 0.031 0.000 0.249 836 D C -0.498 175.792 176.300 -0.017 0.000 1.078 836 D CA -0.286 53.710 54.000 -0.006 0.000 0.875 836 D CB 1.553 42.376 40.800 0.037 0.000 1.175 836 D HN 0.084 nan 8.370 nan 0.000 0.440 837 D N 2.498 122.899 120.400 0.001 0.000 2.498 837 D HA -0.006 4.652 4.640 0.031 0.000 0.229 837 D C 0.814 177.130 176.300 0.027 0.000 1.188 837 D CA -0.362 53.643 54.000 0.008 0.000 1.028 837 D CB 0.148 40.953 40.800 0.007 0.000 1.087 837 D HN 0.064 nan 8.370 nan 0.000 0.510 838 L N 2.882 124.124 121.223 0.030 0.000 2.549 838 L HA -0.027 4.332 4.340 0.031 0.000 0.230 838 L C 2.287 179.167 176.870 0.017 0.000 1.162 838 L CA 0.792 55.656 54.840 0.040 0.000 0.834 838 L CB -0.852 41.230 42.059 0.040 0.000 0.947 838 L HN 0.444 nan 8.230 nan 0.000 0.452 839 R N -0.434 120.067 120.500 0.001 0.000 2.091 839 R HA -0.190 4.169 4.340 0.031 0.000 0.238 839 R C 2.070 178.341 176.300 -0.049 0.000 1.136 839 R CA 1.557 57.637 56.100 -0.033 0.000 0.959 839 R CB 0.073 30.354 30.300 -0.032 0.000 0.856 839 R HN 0.533 nan 8.270 nan 0.000 0.437 840 Q N -0.202 119.587 119.800 -0.018 0.000 2.123 840 Q HA -0.144 4.214 4.340 0.031 0.000 0.199 840 Q C 1.473 177.470 176.000 -0.006 0.000 0.966 840 Q CA 1.726 57.518 55.803 -0.019 0.000 0.845 840 Q CB -0.016 28.733 28.738 0.019 0.000 0.907 840 Q HN 0.447 nan 8.270 nan 0.000 0.439 841 D N 0.631 121.065 120.400 0.057 0.000 2.144 841 D HA -0.141 4.517 4.640 0.031 0.000 0.199 841 D C 1.780 178.055 176.300 -0.040 0.000 0.984 841 D CA 1.047 55.114 54.000 0.110 0.000 0.834 841 D CB -0.037 40.883 40.800 0.200 0.000 0.955 841 D HN 0.134 nan 8.370 nan 0.000 0.465 842 M N -0.113 119.446 119.600 -0.068 0.000 2.065 842 M HA -0.158 4.341 4.480 0.031 0.000 0.259 842 M C 1.643 177.825 176.300 -0.198 0.000 1.069 842 M CA 0.974 56.191 55.300 -0.138 0.000 1.110 842 M CB -0.114 32.396 32.600 -0.151 0.000 1.328 842 M HN 0.087 nan 8.290 nan 0.000 0.405 843 L N 0.359 121.470 121.223 -0.187 0.000 1.970 843 L HA -0.234 4.125 4.340 0.031 0.000 0.212 843 L C 2.326 179.066 176.870 -0.216 0.000 1.071 843 L CA 1.829 56.550 54.840 -0.198 0.000 0.751 843 L CB -1.198 40.760 42.059 -0.169 0.000 0.889 843 L HN 0.295 nan 8.230 nan 0.000 0.432 844 I N -1.015 119.410 120.570 -0.242 0.000 2.163 844 I HA -0.289 3.899 4.170 0.031 0.000 0.243 844 I C 2.438 178.297 176.117 -0.429 0.000 1.085 844 I CA 1.087 62.168 61.300 -0.366 0.000 1.347 844 I CB -0.854 36.810 38.000 -0.558 0.000 1.044 844 I HN 0.214 nan 8.210 nan 0.000 0.408 845 L N 0.352 121.336 121.223 -0.399 0.000 2.081 845 L HA -0.232 4.126 4.340 0.031 0.000 0.212 845 L C 2.528 179.237 176.870 -0.268 0.000 1.080 845 L CA 1.707 56.340 54.840 -0.346 0.000 0.754 845 L CB -1.487 40.384 42.059 -0.314 0.000 0.893 845 L HN 0.327 nan 8.230 nan 0.000 0.433 846 Q N -0.417 119.238 119.800 -0.242 0.000 2.137 846 Q HA -0.060 4.299 4.340 0.031 0.000 0.198 846 Q C 2.235 178.119 176.000 -0.193 0.000 0.960 846 Q CA 1.237 56.916 55.803 -0.207 0.000 0.847 846 Q CB -0.111 28.500 28.738 -0.211 0.000 0.915 846 Q HN 0.476 nan 8.270 nan 0.000 0.448 847 I N -0.010 120.443 120.570 -0.195 0.000 2.194 847 I HA -0.296 3.893 4.170 0.031 0.000 0.246 847 I C 1.719 177.695 176.117 -0.236 0.000 1.093 847 I CA 0.735 61.925 61.300 -0.184 0.000 1.355 847 I CB -0.379 37.528 38.000 -0.154 0.000 1.046 847 I HN 0.256 nan 8.210 nan 0.000 0.413 848 L N 0.729 121.799 121.223 -0.256 0.000 2.043 848 L HA -0.223 4.136 4.340 0.031 0.000 0.212 848 L C 2.681 179.404 176.870 -0.244 0.000 1.075 848 L CA 1.843 56.522 54.840 -0.269 0.000 0.752 848 L CB -0.832 41.079 42.059 -0.246 0.000 0.891 848 L HN 0.174 nan 8.230 nan 0.000 0.432 849 R N -0.871 119.517 120.500 -0.187 0.000 2.081 849 R HA -0.118 4.241 4.340 0.031 0.000 0.235 849 R C 2.308 178.515 176.300 -0.155 0.000 1.131 849 R CA 1.454 57.484 56.100 -0.118 0.000 0.960 849 R CB -0.597 29.665 30.300 -0.063 0.000 0.856 849 R HN 0.328 nan 8.270 nan 0.000 0.436 850 I N 0.947 121.388 120.570 -0.214 0.000 2.264 850 I HA -0.318 3.870 4.170 0.031 0.000 0.248 850 I C 2.531 178.392 176.117 -0.426 0.000 1.111 850 I CA 1.501 62.608 61.300 -0.321 0.000 1.382 850 I CB -0.143 37.706 38.000 -0.251 0.000 1.060 850 I HN 0.178 nan 8.210 nan 0.000 0.418 851 M N -0.413 118.891 119.600 -0.493 0.000 2.132 851 M HA -0.191 4.307 4.480 0.031 0.000 0.263 851 M C 2.136 177.903 176.300 -0.888 0.000 1.065 851 M CA 1.588 56.379 55.300 -0.848 0.000 1.122 851 M CB -0.463 31.567 32.600 -0.949 0.000 1.365 851 M HN 0.172 nan 8.290 nan 0.000 0.411 852 E N -0.451 119.485 120.200 -0.440 0.000 2.209 852 E HA -0.173 4.196 4.350 0.031 0.000 0.196 852 E C 2.009 178.540 176.600 -0.115 0.000 0.993 852 E CA 1.199 57.533 56.400 -0.109 0.000 0.819 852 E CB -0.178 29.508 29.700 -0.024 0.000 0.745 852 E HN 0.364 nan 8.360 nan 0.000 0.477 853 S N 0.115 115.661 115.700 -0.257 0.000 2.439 853 S HA 0.046 4.534 4.470 0.031 0.000 0.224 853 S C 1.951 176.392 174.600 -0.264 0.000 1.029 853 S CA -0.070 57.975 58.200 -0.258 0.000 0.946 853 S CB 0.123 63.008 63.200 -0.525 0.000 0.797 853 S HN 0.137 nan 8.310 nan 0.000 0.504 854 I N 0.384 120.710 120.570 -0.408 0.000 2.142 854 I HA -0.191 3.998 4.170 0.031 0.000 0.240 854 I C 1.973 177.972 176.117 -0.196 0.000 1.078 854 I CA 1.087 62.122 61.300 -0.442 0.000 1.343 854 I CB -0.406 37.162 38.000 -0.719 0.000 1.046 854 I HN 0.418 nan 8.210 nan 0.000 0.405 855 W N 1.324 122.522 121.300 -0.171 0.000 2.341 855 W HA -0.200 4.479 4.660 0.031 0.000 0.283 855 W C 2.457 178.932 176.519 -0.074 0.000 1.215 855 W CA 1.141 58.404 57.345 -0.135 0.000 1.211 855 W CB -0.911 28.449 29.460 -0.167 0.000 1.131 855 W HN 0.356 nan 8.180 nan 0.000 0.552 856 E N 0.123 120.410 120.200 0.145 0.000 2.152 856 E HA -0.169 4.200 4.350 0.031 0.000 0.192 856 E C 2.202 178.863 176.600 0.102 0.000 0.983 856 E CA 1.952 58.442 56.400 0.150 0.000 0.818 856 E CB -0.024 29.743 29.700 0.112 0.000 0.758 856 E HN 0.194 nan 8.360 nan 0.000 0.467 857 T N -1.251 113.339 114.554 0.059 0.000 2.803 857 T HA -0.150 4.218 4.350 0.031 0.000 0.269 857 T C 1.276 176.026 174.700 0.083 0.000 1.052 857 T CA 1.351 63.487 62.100 0.061 0.000 1.136 857 T CB -0.179 68.729 68.868 0.066 0.000 0.864 857 T HN 0.164 nan 8.240 nan 0.000 0.467 858 E N 0.482 120.742 120.200 0.101 0.000 2.496 858 E HA 0.337 4.706 4.350 0.031 0.000 0.200 858 E C 0.294 176.943 176.600 0.081 0.000 1.016 858 E CA -0.026 56.427 56.400 0.090 0.000 0.962 858 E CB 0.275 30.029 29.700 0.090 0.000 1.071 858 E HN 0.426 nan 8.360 nan 0.000 0.457 859 S N -0.202 115.566 115.700 0.115 0.000 2.929 859 S HA -0.187 4.302 4.470 0.031 0.000 0.271 859 S C 0.504 175.191 174.600 0.144 0.000 1.295 859 S CA 0.548 58.841 58.200 0.155 0.000 1.277 859 S CB -1.395 61.867 63.200 0.103 0.000 1.557 859 S HN 0.330 nan 8.310 nan 0.000 0.666 860 L N 1.668 122.907 121.223 0.028 0.000 2.466 860 L HA 0.572 4.931 4.340 0.031 0.000 0.257 860 L C 0.336 177.053 176.870 -0.256 0.000 1.189 860 L CA -0.152 54.583 54.840 -0.174 0.000 0.813 860 L CB 0.351 42.238 42.059 -0.287 0.000 1.118 860 L HN 0.148 nan 8.230 nan 0.000 0.471 861 D N 1.204 121.282 120.400 -0.537 0.000 2.365 861 D HA 0.204 4.863 4.640 0.031 0.000 0.235 861 D C -0.236 175.723 176.300 -0.568 0.000 1.368 861 D CA -0.351 53.301 54.000 -0.580 0.000 1.001 861 D CB 1.075 41.274 40.800 -1.002 0.000 1.364 861 D HN 0.339 nan 8.370 nan 0.000 0.577 862 L N 2.287 123.256 121.223 -0.423 0.000 2.653 862 L HA 0.201 4.560 4.340 0.031 0.000 0.231 862 L C 0.714 177.489 176.870 -0.158 0.000 1.153 862 L CA -0.259 54.333 54.840 -0.413 0.000 0.933 862 L CB -0.343 41.260 42.059 -0.760 0.000 1.175 862 L HN 0.587 nan 8.230 nan 0.000 0.473 863 C N -0.095 119.141 119.300 -0.107 0.000 4.465 863 C HA -0.183 4.296 4.460 0.031 0.000 0.274 863 C C 1.345 176.394 174.990 0.098 0.000 1.337 863 C CA -0.400 58.616 59.018 -0.004 0.000 1.822 863 C CB -2.818 24.950 27.740 0.046 0.000 1.357 863 C HN 0.427 nan 8.230 nan 0.000 0.753 864 L N -0.058 121.211 121.223 0.077 0.000 2.483 864 L HA 0.218 4.577 4.340 0.031 0.000 0.277 864 L C 0.664 177.660 176.870 0.211 0.000 1.248 864 L CA 0.536 55.469 54.840 0.155 0.000 0.825 864 L CB 0.098 42.099 42.059 -0.097 0.000 1.096 864 L HN 0.259 nan 8.230 nan 0.000 0.512 865 L N 2.982 124.412 121.223 0.345 0.000 2.445 865 L HA 0.289 4.647 4.340 0.031 0.000 0.252 865 L C -2.135 174.837 176.870 0.171 0.000 1.105 865 L CA -1.449 53.471 54.840 0.133 0.000 0.943 865 L CB 0.924 42.891 42.059 -0.152 0.000 1.277 865 L HN 0.347 nan 8.230 nan 0.000 0.465 866 P HA 0.072 nan 4.420 nan 0.000 0.230 866 P C -0.479 176.709 177.300 -0.187 0.000 1.791 866 P CA -0.327 62.719 63.100 -0.090 0.000 1.020 866 P CB -0.670 30.969 31.700 -0.101 0.000 1.977 867 Y N -0.505 119.753 120.300 -0.070 0.000 2.709 867 Y HA 0.301 4.870 4.550 0.032 0.000 0.348 867 Y C 1.187 176.993 175.900 -0.155 0.000 1.267 867 Y CA -0.967 57.041 58.100 -0.152 0.000 1.486 867 Y CB -0.521 37.801 38.460 -0.230 0.000 1.356 867 Y HN 0.227 nan 8.280 nan 0.000 0.639 868 G N 0.028 108.753 108.800 -0.125 0.000 2.491 868 G HA2 0.304 4.283 3.960 0.031 0.000 0.238 868 G HA3 0.304 4.283 3.960 0.031 0.000 0.238 868 G C -1.188 173.573 174.900 -0.231 0.000 1.277 868 G CA -0.008 44.948 45.100 -0.240 0.000 0.851 868 G HN 1.154 nan 8.290 nan 0.000 0.573 869 C N 3.671 122.923 119.300 -0.079 0.000 2.947 869 C HA 0.548 5.026 4.460 0.031 0.000 0.401 869 C C -1.332 173.685 174.990 0.046 0.000 1.019 869 C CA -1.009 57.996 59.018 -0.022 0.000 1.230 869 C CB 0.245 27.985 27.740 -0.001 0.000 1.644 869 C HN 0.586 nan 8.230 nan 0.000 0.523 870 I N 5.369 125.960 120.570 0.034 0.000 2.439 870 I HA 0.310 4.499 4.170 0.031 0.000 0.285 870 I C 0.520 176.646 176.117 0.016 0.000 1.021 870 I CA 0.255 61.577 61.300 0.037 0.000 1.091 870 I CB 1.645 39.597 38.000 -0.080 0.000 1.242 870 I HN 0.809 nan 8.210 nan 0.000 0.439 871 S N 4.091 119.829 115.700 0.063 0.000 2.481 871 S HA 0.241 4.730 4.470 0.031 0.000 0.276 871 S C 1.158 175.835 174.600 0.129 0.000 1.247 871 S CA 0.014 58.257 58.200 0.072 0.000 1.053 871 S CB 0.256 63.488 63.200 0.053 0.000 0.925 871 S HN 0.762 nan 8.310 nan 0.000 0.491 872 T N 1.962 116.600 114.554 0.140 0.000 2.971 872 T HA 0.522 4.890 4.350 0.031 0.000 0.252 872 T C 0.833 175.648 174.700 0.192 0.000 1.022 872 T CA 0.191 62.425 62.100 0.224 0.000 0.980 872 T CB 0.310 69.326 68.868 0.247 0.000 1.044 872 T HN 0.816 nan 8.240 nan 0.000 0.501 873 G N 0.798 109.688 108.800 0.150 0.000 2.634 873 G HA2 0.442 4.421 3.960 0.031 0.000 0.309 873 G HA3 0.442 4.421 3.960 0.031 0.000 0.309 873 G C -2.077 172.890 174.900 0.111 0.000 1.299 873 G CA -0.682 44.499 45.100 0.134 0.000 0.798 873 G HN 0.110 nan 8.290 nan 0.000 0.490 874 D N 0.553 121.021 120.400 0.113 0.000 2.346 874 D HA 0.290 4.949 4.640 0.031 0.000 0.260 874 D C 0.836 177.181 176.300 0.074 0.000 1.252 874 D CA 0.204 54.259 54.000 0.092 0.000 0.895 874 D CB 0.341 41.202 40.800 0.103 0.000 1.097 874 D HN 0.458 nan 8.370 nan 0.000 0.489 875 K N 1.659 122.067 120.400 0.013 0.000 3.472 875 K HA -0.230 4.109 4.320 0.031 0.000 0.315 875 K C -0.077 176.485 176.600 -0.064 0.000 1.320 875 K CA 0.699 56.932 56.287 -0.090 0.000 0.962 875 K CB -2.026 30.313 32.500 -0.269 0.000 1.251 875 K HN 0.683 nan 8.250 nan 0.000 0.443 876 I N -1.211 119.402 120.570 0.071 0.000 2.647 876 I HA 0.624 4.813 4.170 0.031 0.000 0.295 876 I C 0.171 176.363 176.117 0.125 0.000 1.078 876 I CA 0.013 61.400 61.300 0.145 0.000 1.048 876 I CB 2.067 40.221 38.000 0.256 0.000 1.239 876 I HN 0.179 nan 8.210 nan 0.000 0.421 877 G N 6.796 115.663 108.800 0.112 0.000 2.341 877 G HA2 0.335 4.314 3.960 0.031 0.000 0.299 877 G HA3 0.335 4.314 3.960 0.031 0.000 0.299 877 G C -1.500 173.346 174.900 -0.091 0.000 1.274 877 G CA -0.567 44.558 45.100 0.043 0.000 0.853 877 G HN 0.708 nan 8.290 nan 0.000 0.493 878 M N -1.083 118.380 119.600 -0.229 0.000 2.852 878 M HA 0.911 5.410 4.480 0.031 0.000 0.301 878 M C -1.292 174.894 176.300 -0.190 0.000 1.229 878 M CA -0.983 54.066 55.300 -0.417 0.000 0.832 878 M CB 2.100 34.238 32.600 -0.769 0.000 1.726 878 M HN 0.435 nan 8.290 nan 0.000 0.497 879 I N 0.464 120.916 120.570 -0.197 0.000 2.586 879 I HA 0.248 4.437 4.170 0.031 0.000 0.288 879 I C -0.428 175.509 176.117 -0.300 0.000 1.147 879 I CA -0.479 60.722 61.300 -0.164 0.000 1.047 879 I CB 2.233 40.185 38.000 -0.081 0.000 1.244 879 I HN 0.838 nan 8.210 nan 0.000 0.429 880 E N 6.115 125.924 120.200 -0.651 0.000 2.467 880 E HA 0.122 4.490 4.350 0.031 0.000 0.264 880 E C -0.937 175.453 176.600 -0.350 0.000 1.020 880 E CA 0.180 56.161 56.400 -0.697 0.000 0.945 880 E CB 0.821 29.962 29.700 -0.933 0.000 0.942 880 E HN 0.448 nan 8.360 nan 0.000 0.449 881 I N 4.875 125.291 120.570 -0.256 0.000 2.312 881 I HA 0.108 4.297 4.170 0.031 0.000 0.290 881 I C -0.285 175.739 176.117 -0.154 0.000 1.008 881 I CA -0.884 60.254 61.300 -0.269 0.000 1.226 881 I CB 1.523 39.272 38.000 -0.419 0.000 1.371 881 I HN 0.303 nan 8.210 nan 0.000 0.468 882 V N 7.177 127.001 119.914 -0.151 0.000 2.585 882 V HA 0.038 4.176 4.120 0.031 0.000 0.296 882 V C 0.590 176.718 176.094 0.057 0.000 1.035 882 V CA -0.329 61.927 62.300 -0.073 0.000 1.084 882 V CB 0.196 31.917 31.823 -0.170 0.000 0.953 882 V HN 0.531 nan 8.190 nan 0.000 0.483 883 K N 3.344 123.794 120.400 0.084 0.000 2.234 883 K HA 0.281 4.619 4.320 0.031 0.000 0.282 883 K C 0.050 176.758 176.600 0.181 0.000 1.039 883 K CA -0.163 56.206 56.287 0.138 0.000 0.928 883 K CB 0.623 33.195 32.500 0.120 0.000 1.039 883 K HN 0.774 nan 8.250 nan 0.000 0.470 884 D N -0.664 119.868 120.400 0.219 0.000 3.082 884 D HA -0.140 4.519 4.640 0.031 0.000 0.216 884 D C -0.713 175.767 176.300 0.299 0.000 1.114 884 D CA 1.137 55.274 54.000 0.228 0.000 0.886 884 D CB -1.191 39.716 40.800 0.178 0.000 1.096 884 D HN 0.640 nan 8.370 nan 0.000 0.431 885 A N -0.446 122.560 122.820 0.310 0.000 2.380 885 A HA 0.859 5.197 4.320 0.031 0.000 0.315 885 A C 0.315 178.036 177.584 0.228 0.000 1.101 885 A CA -0.146 52.085 52.037 0.322 0.000 0.771 885 A CB 1.713 20.949 19.000 0.394 0.000 1.287 885 A HN 0.016 nan 8.150 nan 0.000 0.436 886 T N 0.060 114.670 114.554 0.093 0.000 2.901 886 T HA 0.569 4.938 4.350 0.031 0.000 0.293 886 T C 0.042 174.638 174.700 -0.174 0.000 1.084 886 T CA -0.560 61.525 62.100 -0.024 0.000 1.008 886 T CB 1.268 70.100 68.868 -0.060 0.000 1.170 886 T HN 0.608 nan 8.240 nan 0.000 0.509 887 T N 2.169 116.634 114.554 -0.149 0.000 2.937 887 T HA 0.073 4.441 4.350 0.031 0.000 0.316 887 T C 1.571 176.149 174.700 -0.202 0.000 1.079 887 T CA -0.474 61.519 62.100 -0.179 0.000 1.131 887 T CB 0.119 68.921 68.868 -0.109 0.000 1.000 887 T HN 0.370 nan 8.240 nan 0.000 0.549 888 I N 1.827 122.305 120.570 -0.153 0.000 2.202 888 I HA -0.135 4.054 4.170 0.031 0.000 0.242 888 I C 2.750 178.859 176.117 -0.014 0.000 1.091 888 I CA 1.332 62.587 61.300 -0.076 0.000 1.368 888 I CB -1.982 36.069 38.000 0.085 0.000 1.058 888 I HN 0.797 nan 8.210 nan 0.000 0.410 889 A N 1.305 124.151 122.820 0.043 0.000 1.884 889 A HA -0.285 4.054 4.320 0.031 0.000 0.219 889 A C 2.359 179.952 177.584 0.016 0.000 1.197 889 A CA 2.244 54.343 52.037 0.105 0.000 0.637 889 A CB -0.733 18.337 19.000 0.117 0.000 0.827 889 A HN 0.403 nan 8.150 nan 0.000 0.450 890 K N -0.556 119.822 120.400 -0.037 0.000 2.103 890 K HA -0.082 4.256 4.320 0.031 0.000 0.207 890 K C 1.653 178.205 176.600 -0.079 0.000 1.048 890 K CA 1.625 57.881 56.287 -0.052 0.000 0.930 890 K CB -0.385 32.080 32.500 -0.059 0.000 0.716 890 K HN 0.594 nan 8.250 nan 0.000 0.444 891 I N 1.097 121.569 120.570 -0.164 0.000 2.830 891 I HA -0.206 3.983 4.170 0.031 0.000 0.263 891 I C 2.136 178.208 176.117 -0.076 0.000 1.230 891 I CA 0.683 61.858 61.300 -0.207 0.000 1.480 891 I CB -0.118 37.587 38.000 -0.492 0.000 1.095 891 I HN 0.213 nan 8.210 nan 0.000 0.455 892 Q N 0.432 120.203 119.800 -0.048 0.000 2.107 892 Q HA -0.140 4.218 4.340 0.031 0.000 0.195 892 Q C 2.118 178.051 176.000 -0.111 0.000 0.964 892 Q CA 0.861 56.624 55.803 -0.066 0.000 0.833 892 Q CB -0.675 28.045 28.738 -0.031 0.000 0.910 892 Q HN 0.448 nan 8.270 nan 0.000 0.465 893 Q N 1.021 120.771 119.800 -0.083 0.000 2.325 893 Q HA -0.170 4.189 4.340 0.031 0.000 0.211 893 Q C 1.830 177.800 176.000 -0.050 0.000 0.988 893 Q CA 1.540 57.301 55.803 -0.069 0.000 0.887 893 Q CB -0.045 28.675 28.738 -0.030 0.000 0.915 893 Q HN 0.221 nan 8.270 nan 0.000 0.440 894 S N 0.058 115.740 115.700 -0.030 0.000 2.380 894 S HA -0.138 4.351 4.470 0.031 0.000 0.217 894 S C 1.707 176.299 174.600 -0.013 0.000 1.036 894 S CA 2.379 60.583 58.200 0.006 0.000 1.050 894 S CB -0.490 62.746 63.200 0.060 0.000 1.016 894 S HN 0.721 nan 8.310 nan 0.000 0.419 895 T N -1.014 113.522 114.554 -0.029 0.000 3.244 895 T HA 0.463 4.832 4.350 0.031 0.000 0.254 895 T C 0.713 175.352 174.700 -0.102 0.000 1.024 895 T CA 0.255 62.325 62.100 -0.049 0.000 0.920 895 T CB 0.583 69.423 68.868 -0.047 0.000 1.042 895 T HN 0.210 nan 8.240 nan 0.000 0.572 896 V N -0.759 119.080 119.914 -0.125 0.000 3.359 896 V HA 0.540 4.679 4.120 0.031 0.000 0.204 896 V C 1.162 177.162 176.094 -0.156 0.000 1.410 896 V CA 0.081 62.274 62.300 -0.178 0.000 1.303 896 V CB -0.199 31.455 31.823 -0.281 0.000 1.198 896 V HN 0.751 nan 8.190 nan 0.000 0.531 897 G N 1.910 110.627 108.800 -0.138 0.000 3.445 897 G HA2 -0.230 3.749 3.960 0.031 0.000 0.634 897 G HA3 -0.230 3.749 3.960 0.031 0.000 0.634 897 G C -0.047 174.808 174.900 -0.075 0.000 0.909 897 G CA 0.298 45.346 45.100 -0.087 0.000 0.740 897 G HN 0.677 nan 8.290 nan 0.000 0.441 898 N N 0.347 119.033 118.700 -0.024 0.000 2.693 898 N HA -0.221 4.538 4.740 0.031 0.000 0.255 898 N C 1.600 177.145 175.510 0.058 0.000 0.975 898 N CA 2.009 55.097 53.050 0.063 0.000 0.792 898 N CB -0.098 38.418 38.487 0.048 0.000 0.931 898 N HN 0.746 nan 8.380 nan 0.000 0.541 899 T N -2.511 111.975 114.554 -0.113 0.000 3.114 899 T HA 0.336 4.704 4.350 0.031 0.000 0.240 899 T C 1.438 175.785 174.700 -0.590 0.000 0.983 899 T CA 0.489 62.452 62.100 -0.228 0.000 1.151 899 T CB 0.276 68.984 68.868 -0.268 0.000 0.974 899 T HN 0.461 nan 8.240 nan 0.000 0.442 900 G N 1.640 109.849 108.800 -0.985 0.000 2.143 900 G HA2 -0.136 3.842 3.960 0.031 0.000 0.249 900 G HA3 -0.136 3.842 3.960 0.031 0.000 0.249 900 G C 0.456 174.711 174.900 -1.076 0.000 0.981 900 G CA 0.117 44.216 45.100 -1.669 0.000 0.665 900 G HN 0.870 nan 8.290 nan 0.000 0.528 901 A N 0.378 122.734 122.820 -0.774 0.000 3.033 901 A HA 0.646 4.984 4.320 0.031 0.000 0.250 901 A C 0.551 177.784 177.584 -0.584 0.000 1.633 901 A CA -0.431 51.276 52.037 -0.551 0.000 1.290 901 A CB -0.780 17.986 19.000 -0.389 0.000 1.048 901 A HN 0.626 nan 8.150 nan 0.000 0.648 902 F N 0.895 120.384 119.950 -0.768 0.000 2.580 902 F HA -0.048 4.498 4.527 0.032 0.000 0.398 902 F C 1.187 176.544 175.800 -0.738 0.000 1.023 902 F CA 0.988 58.432 58.000 -0.926 0.000 1.188 902 F CB 0.427 38.273 39.000 -1.923 0.000 1.005 902 F HN 0.353 nan 8.300 nan 0.000 0.546 903 K N 3.909 124.133 120.400 -0.293 0.000 2.248 903 K HA 0.097 4.436 4.320 0.031 0.000 0.281 903 K C 0.031 176.572 176.600 -0.099 0.000 1.054 903 K CA -0.699 55.461 56.287 -0.212 0.000 0.903 903 K CB 0.755 33.124 32.500 -0.220 0.000 1.077 903 K HN 0.489 nan 8.250 nan 0.000 0.474 904 D N 3.207 123.573 120.400 -0.058 0.000 2.400 904 D HA -0.121 4.538 4.640 0.031 0.000 0.242 904 D C 0.700 176.770 176.300 -0.382 0.000 1.077 904 D CA 0.794 54.797 54.000 0.004 0.000 0.943 904 D CB 0.324 41.171 40.800 0.078 0.000 0.882 904 D HN 0.712 nan 8.370 nan 0.000 0.529 905 E N -0.280 119.626 120.200 -0.489 0.000 2.568 905 E HA -0.016 4.353 4.350 0.031 0.000 0.220 905 E C 1.380 177.718 176.600 -0.435 0.000 0.869 905 E CA 0.085 55.940 56.400 -0.908 0.000 1.268 905 E CB 0.623 29.803 29.700 -0.866 0.000 1.252 905 E HN -0.042 nan 8.360 nan 0.000 0.606 906 V N 1.759 121.538 119.914 -0.226 0.000 2.594 906 V HA -0.208 3.931 4.120 0.031 0.000 0.253 906 V C 2.368 178.540 176.094 0.130 0.000 1.069 906 V CA 1.403 63.662 62.300 -0.068 0.000 1.082 906 V CB -0.424 31.372 31.823 -0.045 0.000 0.680 906 V HN 0.274 nan 8.190 nan 0.000 0.469 907 L N 0.186 121.475 121.223 0.111 0.000 2.068 907 L HA -0.047 4.312 4.340 0.031 0.000 0.204 907 L C 2.422 179.467 176.870 0.291 0.000 1.076 907 L CA 1.426 56.381 54.840 0.192 0.000 0.753 907 L CB -0.466 41.672 42.059 0.132 0.000 0.910 907 L HN 0.305 nan 8.230 nan 0.000 0.439 908 N N -0.846 118.025 118.700 0.285 0.000 2.364 908 N HA -0.250 4.509 4.740 0.031 0.000 0.183 908 N C 1.739 177.522 175.510 0.455 0.000 1.022 908 N CA 1.229 54.515 53.050 0.392 0.000 0.883 908 N CB -0.111 38.727 38.487 0.586 0.000 0.965 908 N HN 0.556 nan 8.380 nan 0.000 0.438 909 H N -1.992 117.227 119.070 0.249 0.000 2.284 909 H HA -0.131 4.443 4.556 0.031 0.000 0.304 909 H C 1.543 177.009 175.328 0.229 0.000 1.069 909 H CA 1.251 57.413 56.048 0.190 0.000 1.327 909 H CB -0.283 29.550 29.762 0.119 0.000 1.387 909 H HN 0.305 nan 8.280 nan 0.000 0.498 910 W N 2.079 123.502 121.300 0.206 0.000 2.313 910 W HA -0.242 4.437 4.660 0.031 0.000 0.293 910 W C 2.015 178.616 176.519 0.138 0.000 1.216 910 W CA 1.447 58.873 57.345 0.133 0.000 1.223 910 W CB -0.443 29.084 29.460 0.111 0.000 1.138 910 W HN 0.120 nan 8.180 nan 0.000 0.535 911 L N 0.028 121.473 121.223 0.370 0.000 2.027 911 L HA -0.192 4.167 4.340 0.031 0.000 0.206 911 L C 2.520 179.590 176.870 0.333 0.000 1.074 911 L CA 1.666 56.673 54.840 0.278 0.000 0.745 911 L CB -1.065 41.178 42.059 0.308 0.000 0.898 911 L HN -0.093 nan 8.230 nan 0.000 0.433 912 K N 0.225 120.842 120.400 0.362 0.000 2.001 912 K HA -0.230 4.108 4.320 0.031 0.000 0.208 912 K C 2.057 178.601 176.600 -0.093 0.000 1.048 912 K CA 1.492 57.755 56.287 -0.039 0.000 0.932 912 K CB -0.104 32.161 32.500 -0.392 0.000 0.715 912 K HN 0.225 nan 8.250 nan 0.000 0.437 913 E N 0.697 120.819 120.200 -0.130 0.000 2.136 913 E HA -0.284 4.084 4.350 0.031 0.000 0.202 913 E C 1.324 177.811 176.600 -0.188 0.000 1.019 913 E CA 1.458 57.762 56.400 -0.161 0.000 0.819 913 E CB 0.193 29.801 29.700 -0.154 0.000 0.739 913 E HN 0.061 nan 8.360 nan 0.000 0.458 914 K N 0.405 120.644 120.400 -0.268 0.000 2.314 914 K HA 0.117 4.456 4.320 0.031 0.000 0.198 914 K C 0.830 177.349 176.600 -0.134 0.000 1.045 914 K CA 0.134 56.240 56.287 -0.302 0.000 0.988 914 K CB 0.223 32.359 32.500 -0.606 0.000 0.783 914 K HN -0.033 nan 8.250 nan 0.000 0.484 915 S N 2.628 118.308 115.700 -0.032 0.000 2.572 915 S HA 0.059 4.548 4.470 0.031 0.000 0.279 915 S C -1.382 173.225 174.600 0.013 0.000 1.341 915 S CA -0.926 57.309 58.200 0.057 0.000 1.043 915 S CB 0.948 64.300 63.200 0.254 0.000 0.887 915 S HN 0.114 nan 8.310 nan 0.000 0.516 916 P HA 0.018 nan 4.420 nan 0.000 0.225 916 P C 0.633 177.939 177.300 0.010 0.000 1.156 916 P CA 0.828 63.934 63.100 0.010 0.000 0.787 916 P CB 0.057 31.768 31.700 0.019 0.000 0.802 917 T N -4.332 110.240 114.554 0.030 0.000 2.584 917 T HA 0.259 4.627 4.350 0.031 0.000 0.273 917 T C 0.723 175.431 174.700 0.013 0.000 0.978 917 T CA -0.450 61.662 62.100 0.020 0.000 1.159 917 T CB 1.245 70.136 68.868 0.039 0.000 1.556 917 T HN -0.224 nan 8.240 nan 0.000 0.472 918 E N -0.154 120.054 120.200 0.014 0.000 2.340 918 E HA 0.056 4.425 4.350 0.031 0.000 0.198 918 E C 1.550 178.254 176.600 0.173 0.000 0.961 918 E CA 0.305 56.711 56.400 0.010 0.000 0.905 918 E CB 0.257 29.931 29.700 -0.044 0.000 0.884 918 E HN 0.697 nan 8.360 nan 0.000 0.491 919 E N 1.378 121.651 120.200 0.123 0.000 2.021 919 E HA -0.119 4.249 4.350 0.031 0.000 0.189 919 E C 1.832 178.510 176.600 0.130 0.000 0.980 919 E CA 0.684 57.156 56.400 0.120 0.000 0.803 919 E CB 0.056 29.801 29.700 0.075 0.000 0.766 919 E HN 0.043 nan 8.360 nan 0.000 0.449 920 K N -0.044 120.422 120.400 0.110 0.000 2.152 920 K HA -0.169 4.170 4.320 0.031 0.000 0.206 920 K C 2.070 178.735 176.600 0.109 0.000 1.048 920 K CA 1.405 57.746 56.287 0.091 0.000 0.933 920 K CB -0.398 32.145 32.500 0.072 0.000 0.721 920 K HN 0.146 nan 8.250 nan 0.000 0.447 921 F N 2.171 122.129 119.950 0.013 0.000 2.202 921 F HA -0.260 4.286 4.527 0.032 0.000 0.301 921 F C 2.099 177.915 175.800 0.026 0.000 1.082 921 F CA 1.316 59.322 58.000 0.011 0.000 1.313 921 F CB 0.069 39.068 39.000 -0.001 0.000 1.024 921 F HN 0.038 nan 8.300 nan 0.000 0.495 922 Q N 0.802 120.682 119.800 0.133 0.000 2.084 922 Q HA -0.177 4.182 4.340 0.031 0.000 0.202 922 Q C 2.608 178.558 176.000 -0.084 0.000 0.978 922 Q CA 1.540 57.369 55.803 0.043 0.000 0.844 922 Q CB -1.133 27.688 28.738 0.138 0.000 0.898 922 Q HN 0.570 nan 8.270 nan 0.000 0.426 923 A N 1.404 124.204 122.820 -0.034 0.000 1.902 923 A HA -0.065 4.274 4.320 0.031 0.000 0.217 923 A C 2.274 179.813 177.584 -0.075 0.000 1.181 923 A CA 1.808 53.827 52.037 -0.030 0.000 0.623 923 A CB -0.666 18.343 19.000 0.014 0.000 0.818 923 A HN 0.366 nan 8.150 nan 0.000 0.443 924 A N -0.856 121.885 122.820 -0.133 0.000 2.248 924 A HA 0.217 4.556 4.320 0.031 0.000 0.210 924 A C 1.837 179.282 177.584 -0.231 0.000 1.174 924 A CA 1.458 53.412 52.037 -0.139 0.000 0.750 924 A CB -0.418 18.487 19.000 -0.157 0.000 0.780 924 A HN 0.371 nan 8.150 nan 0.000 0.478 925 V N -1.138 118.577 119.914 -0.332 0.000 2.788 925 V HA -0.063 4.076 4.120 0.031 0.000 0.241 925 V C 2.300 178.273 176.094 -0.202 0.000 1.083 925 V CA 1.514 63.623 62.300 -0.317 0.000 1.103 925 V CB -0.231 31.340 31.823 -0.419 0.000 0.800 925 V HN 0.662 nan 8.190 nan 0.000 0.476 926 E N 1.303 121.385 120.200 -0.196 0.000 2.077 926 E HA -0.259 4.109 4.350 0.031 0.000 0.193 926 E C 2.278 178.802 176.600 -0.127 0.000 0.989 926 E CA 1.683 57.967 56.400 -0.193 0.000 0.800 926 E CB -0.229 29.416 29.700 -0.093 0.000 0.746 926 E HN 0.422 nan 8.360 nan 0.000 0.452 927 R N -1.146 119.349 120.500 -0.008 0.000 2.189 927 R HA -0.090 4.269 4.340 0.031 0.000 0.223 927 R C 1.936 178.299 176.300 0.105 0.000 1.092 927 R CA 1.167 57.313 56.100 0.076 0.000 0.989 927 R CB -0.348 30.007 30.300 0.093 0.000 0.876 927 R HN 0.302 nan 8.270 nan 0.000 0.457 928 F N -0.231 119.684 119.950 -0.059 0.000 2.187 928 F HA -0.077 4.469 4.527 0.032 0.000 0.295 928 F C 1.675 177.461 175.800 -0.023 0.000 1.091 928 F CA 0.978 58.955 58.000 -0.038 0.000 1.308 928 F CB -0.159 38.801 39.000 -0.066 0.000 1.030 928 F HN -0.209 nan 8.300 nan 0.000 0.487 929 V N 0.214 120.121 119.914 -0.011 0.000 2.214 929 V HA -0.371 3.767 4.120 0.031 0.000 0.245 929 V C 2.142 178.206 176.094 -0.050 0.000 1.047 929 V CA 2.394 64.663 62.300 -0.053 0.000 0.998 929 V CB -1.383 30.311 31.823 -0.216 0.000 0.633 929 V HN 0.393 nan 8.190 nan 0.000 0.446 930 Y N 0.934 121.200 120.300 -0.057 0.000 2.014 930 Y HA -0.344 4.224 4.550 0.031 0.000 0.272 930 Y C 3.099 178.909 175.900 -0.150 0.000 1.164 930 Y CA 1.916 59.933 58.100 -0.137 0.000 1.114 930 Y CB -0.746 37.630 38.460 -0.140 0.000 0.961 930 Y HN 0.352 nan 8.280 nan 0.000 0.489 931 S N -0.357 115.384 115.700 0.068 0.000 2.378 931 S HA -0.375 4.114 4.470 0.031 0.000 0.229 931 S C 2.192 176.797 174.600 0.009 0.000 1.052 931 S CA 1.874 60.105 58.200 0.053 0.000 1.084 931 S CB -1.269 61.952 63.200 0.036 0.000 0.950 931 S HN 0.654 nan 8.310 nan 0.000 0.440 932 C N 1.621 120.777 119.300 -0.239 0.000 2.432 932 C HA 0.207 4.686 4.460 0.031 0.000 0.277 932 C C 3.116 178.149 174.990 0.072 0.000 1.249 932 C CA 1.154 60.034 59.018 -0.230 0.000 1.725 932 C CB -1.927 25.487 27.740 -0.544 0.000 2.028 932 C HN 0.744 nan 8.230 nan 0.000 0.477 933 A N 0.533 123.371 122.820 0.030 0.000 1.902 933 A HA 0.091 4.430 4.320 0.031 0.000 0.217 933 A C 2.501 179.962 177.584 -0.206 0.000 1.181 933 A CA 2.144 54.043 52.037 -0.229 0.000 0.623 933 A CB -1.562 17.128 19.000 -0.517 0.000 0.818 933 A HN 0.737 nan 8.150 nan 0.000 0.443 934 G N -1.530 107.150 108.800 -0.199 0.000 2.476 934 G HA2 -0.273 3.706 3.960 0.031 0.000 0.218 934 G HA3 -0.273 3.706 3.960 0.031 0.000 0.218 934 G C 1.467 176.291 174.900 -0.127 0.000 1.164 934 G CA 1.401 46.334 45.100 -0.278 0.000 0.768 934 G HN 0.582 nan 8.290 nan 0.000 0.560 935 Y N -0.239 120.040 120.300 -0.036 0.000 2.365 935 Y HA 0.027 4.596 4.550 0.032 0.000 0.293 935 Y C 3.082 178.939 175.900 -0.071 0.000 1.119 935 Y CA 0.272 58.337 58.100 -0.060 0.000 1.203 935 Y CB -0.342 38.040 38.460 -0.130 0.000 1.026 935 Y HN 0.214 nan 8.280 nan 0.000 0.549 936 C N -0.726 118.617 119.300 0.071 0.000 2.398 936 C HA -0.190 4.289 4.460 0.031 0.000 0.276 936 C C 2.686 177.542 174.990 -0.223 0.000 1.222 936 C CA 1.317 60.214 59.018 -0.202 0.000 1.746 936 C CB -1.129 26.384 27.740 -0.380 0.000 2.039 936 C HN 0.354 nan 8.230 nan 0.000 0.470 937 V N 1.082 120.965 119.914 -0.052 0.000 2.283 937 V HA -0.107 4.032 4.120 0.031 0.000 0.243 937 V C 2.683 178.867 176.094 0.150 0.000 1.039 937 V CA 2.126 64.462 62.300 0.059 0.000 1.016 937 V CB -1.401 30.416 31.823 -0.010 0.000 0.650 937 V HN 0.569 nan 8.190 nan 0.000 0.449 938 A N -0.621 122.279 122.820 0.135 0.000 1.969 938 A HA -0.224 4.115 4.320 0.031 0.000 0.218 938 A C 2.431 180.056 177.584 0.069 0.000 1.169 938 A CA 2.389 54.459 52.037 0.056 0.000 0.635 938 A CB -0.849 18.130 19.000 -0.035 0.000 0.810 938 A HN 0.467 nan 8.150 nan 0.000 0.445 939 T N -1.669 112.953 114.554 0.113 0.000 2.812 939 T HA -0.105 4.263 4.350 0.031 0.000 0.264 939 T C 1.587 176.456 174.700 0.281 0.000 1.042 939 T CA 1.603 63.806 62.100 0.172 0.000 1.140 939 T CB -0.399 68.563 68.868 0.157 0.000 0.870 939 T HN 0.433 nan 8.240 nan 0.000 0.445 940 F N 1.780 121.840 119.950 0.183 0.000 2.113 940 F HA 0.016 4.562 4.527 0.031 0.000 0.297 940 F C 2.157 178.144 175.800 0.311 0.000 1.103 940 F CA 0.881 59.054 58.000 0.288 0.000 1.248 940 F CB -0.870 38.308 39.000 0.296 0.000 0.999 940 F HN 0.002 nan 8.300 nan 0.000 0.475 941 V N 0.779 120.635 119.914 -0.097 0.000 2.407 941 V HA -0.287 3.851 4.120 0.031 0.000 0.248 941 V C 2.501 178.585 176.094 -0.016 0.000 1.055 941 V CA 1.924 64.117 62.300 -0.178 0.000 1.049 941 V CB -0.828 30.954 31.823 -0.069 0.000 0.662 941 V HN 0.366 nan 8.190 nan 0.000 0.455 942 L N 0.216 121.477 121.223 0.064 0.000 2.478 942 L HA 0.223 4.582 4.340 0.031 0.000 0.223 942 L C 1.682 178.608 176.870 0.093 0.000 1.140 942 L CA 0.925 55.860 54.840 0.158 0.000 0.842 942 L CB -0.411 41.718 42.059 0.116 0.000 0.953 942 L HN 0.576 nan 8.230 nan 0.000 0.452 943 G N 1.266 110.062 108.800 -0.006 0.000 2.182 943 G HA2 -0.281 3.698 3.960 0.031 0.000 0.248 943 G HA3 -0.281 3.698 3.960 0.031 0.000 0.248 943 G C 0.529 175.393 174.900 -0.059 0.000 1.042 943 G CA 0.420 45.321 45.100 -0.332 0.000 0.775 943 G HN 0.560 nan 8.290 nan 0.000 0.501 944 I N -3.702 116.942 120.570 0.125 0.000 3.658 944 I HA 0.574 4.762 4.170 0.031 0.000 0.328 944 I C 1.307 177.605 176.117 0.303 0.000 1.567 944 I CA 0.096 61.516 61.300 0.201 0.000 1.078 944 I CB 0.376 38.518 38.000 0.238 0.000 1.267 944 I HN 0.030 nan 8.210 nan 0.000 0.495 945 G N 0.509 109.516 108.800 0.346 0.000 2.744 945 G HA2 -0.099 3.880 3.960 0.031 0.000 0.211 945 G HA3 -0.099 3.880 3.960 0.031 0.000 0.211 945 G C 0.374 175.523 174.900 0.413 0.000 1.146 945 G CA 0.136 45.507 45.100 0.452 0.000 0.787 945 G HN 0.368 nan 8.290 nan 0.000 0.534 946 D N 1.026 121.639 120.400 0.355 0.000 2.608 946 D HA 0.171 4.830 4.640 0.031 0.000 0.224 946 D C 0.417 176.913 176.300 0.325 0.000 1.123 946 D CA -0.122 54.102 54.000 0.373 0.000 1.030 946 D CB -0.040 41.007 40.800 0.412 0.000 1.093 946 D HN -0.054 nan 8.370 nan 0.000 0.497 947 R N 0.912 121.500 120.500 0.147 0.000 2.828 947 R HA 0.422 4.781 4.340 0.031 0.000 0.264 947 R C 0.018 176.109 176.300 -0.348 0.000 1.022 947 R CA -0.740 55.211 56.100 -0.248 0.000 1.021 947 R CB 0.969 31.118 30.300 -0.252 0.000 1.163 947 R HN 0.492 nan 8.270 nan 0.000 0.494 948 H N -0.072 118.630 119.070 -0.612 0.000 2.508 948 H HA 0.180 4.755 4.556 0.031 0.000 0.358 948 H C 0.867 176.033 175.328 -0.270 0.000 1.212 948 H CA -0.787 54.901 56.048 -0.599 0.000 1.356 948 H CB 1.226 30.551 29.762 -0.728 0.000 1.525 948 H HN 0.398 nan 8.280 nan 0.000 0.578 949 N N 0.772 119.491 118.700 0.031 0.000 2.354 949 N HA -0.137 4.622 4.740 0.031 0.000 0.179 949 N C 1.009 176.520 175.510 0.002 0.000 1.021 949 N CA 0.829 53.913 53.050 0.057 0.000 0.887 949 N CB 0.032 38.653 38.487 0.223 0.000 0.974 949 N HN 0.628 nan 8.380 nan 0.000 0.437 950 D N -0.077 120.313 120.400 -0.017 0.000 2.277 950 D HA 0.058 4.717 4.640 0.031 0.000 0.208 950 D C 0.751 176.953 176.300 -0.163 0.000 0.962 950 D CA 0.753 54.713 54.000 -0.067 0.000 0.865 950 D CB -0.168 40.598 40.800 -0.056 0.000 0.939 950 D HN 0.318 nan 8.370 nan 0.000 0.510 951 N N -0.852 117.708 118.700 -0.233 0.000 2.383 951 N HA 0.140 4.898 4.740 0.031 0.000 0.192 951 N C -0.237 175.010 175.510 -0.439 0.000 1.141 951 N CA -0.047 52.794 53.050 -0.347 0.000 0.851 951 N CB 0.810 39.017 38.487 -0.466 0.000 0.976 951 N HN 0.193 nan 8.380 nan 0.000 0.465 952 I N 0.894 121.234 120.570 -0.384 0.000 2.562 952 I HA 0.380 4.569 4.170 0.031 0.000 0.301 952 I C -0.318 175.555 176.117 -0.407 0.000 1.003 952 I CA -0.564 60.471 61.300 -0.442 0.000 1.127 952 I CB 1.757 39.563 38.000 -0.322 0.000 1.304 952 I HN -0.151 nan 8.210 nan 0.000 0.446 953 M N 5.793 125.013 119.600 -0.634 0.000 2.691 953 M HA 0.626 5.125 4.480 0.031 0.000 0.293 953 M C -1.019 174.897 176.300 -0.641 0.000 1.259 953 M CA -0.736 54.125 55.300 -0.732 0.000 0.827 953 M CB 3.449 35.367 32.600 -1.137 0.000 1.753 953 M HN 0.488 nan 8.290 nan 0.000 0.465 954 I N 0.103 120.459 120.570 -0.357 0.000 3.102 954 I HA 0.606 4.795 4.170 0.031 0.000 0.310 954 I C -1.116 175.121 176.117 0.200 0.000 1.246 954 I CA -0.352 60.920 61.300 -0.046 0.000 0.979 954 I CB 2.824 40.817 38.000 -0.012 0.000 1.267 954 I HN 0.851 nan 8.210 nan 0.000 0.451 955 T N 0.047 114.832 114.554 0.385 0.000 2.888 955 T HA 0.410 4.779 4.350 0.031 0.000 0.284 955 T C 0.472 175.488 174.700 0.527 0.000 1.017 955 T CA -0.587 61.788 62.100 0.460 0.000 1.022 955 T CB 1.689 70.761 68.868 0.341 0.000 1.013 955 T HN 0.695 nan 8.240 nan 0.000 0.465 956 E N 0.572 121.008 120.200 0.394 0.000 2.448 956 E HA -0.095 4.274 4.350 0.031 0.000 0.203 956 E C 1.177 177.793 176.600 0.027 0.000 1.046 956 E CA 0.921 57.302 56.400 -0.033 0.000 0.871 956 E CB 0.009 29.634 29.700 -0.124 0.000 0.790 956 E HN 0.737 nan 8.360 nan 0.000 0.545 957 T N -1.937 112.699 114.554 0.138 0.000 3.182 957 T HA 0.351 4.720 4.350 0.031 0.000 0.277 957 T C 0.907 175.684 174.700 0.128 0.000 1.013 957 T CA 0.530 62.690 62.100 0.101 0.000 0.900 957 T CB 0.280 69.205 68.868 0.094 0.000 1.098 957 T HN 0.318 nan 8.240 nan 0.000 0.543 958 G N 1.898 110.817 108.800 0.198 0.000 2.349 958 G HA2 -0.218 3.761 3.960 0.031 0.000 0.213 958 G HA3 -0.218 3.761 3.960 0.031 0.000 0.213 958 G C 0.118 175.193 174.900 0.291 0.000 1.044 958 G CA -0.092 45.133 45.100 0.209 0.000 0.633 958 G HN 0.628 nan 8.290 nan 0.000 0.506 959 N N 1.163 120.015 118.700 0.254 0.000 2.483 959 N HA 0.444 5.202 4.740 0.031 0.000 0.264 959 N C -0.069 175.628 175.510 0.313 0.000 1.197 959 N CA 0.160 53.364 53.050 0.255 0.000 0.927 959 N CB 0.979 39.602 38.487 0.226 0.000 1.065 959 N HN 0.655 nan 8.380 nan 0.000 0.461 960 L N 4.059 125.419 121.223 0.227 0.000 2.313 960 L HA 0.818 5.177 4.340 0.031 0.000 0.268 960 L C -1.212 175.711 176.870 0.089 0.000 1.010 960 L CA -0.655 54.235 54.840 0.083 0.000 0.814 960 L CB 1.044 43.013 42.059 -0.151 0.000 1.304 960 L HN 0.546 nan 8.230 nan 0.000 0.441 961 F N -0.212 119.529 119.950 -0.348 0.000 2.660 961 F HA 0.402 4.948 4.527 0.031 0.000 0.320 961 F C -0.886 174.701 175.800 -0.354 0.000 1.099 961 F CA -0.878 56.712 58.000 -0.682 0.000 1.061 961 F CB 0.117 39.065 39.000 -0.086 0.000 1.300 961 F HN 0.606 nan 8.300 nan 0.000 0.479 962 H N 3.459 122.242 119.070 -0.478 0.000 2.703 962 H HA 0.752 5.327 4.556 0.032 0.000 0.377 962 H C 0.094 175.378 175.328 -0.074 0.000 1.392 962 H CA 0.382 56.319 56.048 -0.184 0.000 1.458 962 H CB 1.549 31.351 29.762 0.066 0.000 1.529 962 H HN 0.783 nan 8.280 nan 0.000 0.619 963 I N -2.957 117.375 120.570 -0.397 0.000 3.229 963 I HA 0.188 4.377 4.170 0.031 0.000 0.313 963 I C -0.931 174.752 176.117 -0.723 0.000 1.317 963 I CA -0.975 60.074 61.300 -0.418 0.000 0.940 963 I CB 2.163 40.076 38.000 -0.146 0.000 1.315 963 I HN 0.497 nan 8.210 nan 0.000 0.484 964 D N 1.477 121.657 120.400 -0.366 0.000 2.735 964 D HA -0.205 4.454 4.640 0.031 0.000 0.235 964 D C 0.136 176.328 176.300 -0.180 0.000 1.175 964 D CA 0.918 54.810 54.000 -0.179 0.000 0.683 964 D CB -0.694 40.023 40.800 -0.140 0.000 1.008 964 D HN 0.569 nan 8.370 nan 0.000 0.416 965 F N -0.762 119.255 119.950 0.111 0.000 2.710 965 F HA 0.167 4.713 4.527 0.032 0.000 0.298 965 F C 2.568 178.418 175.800 0.082 0.000 1.137 965 F CA 0.420 58.475 58.000 0.092 0.000 1.444 965 F CB -0.150 38.898 39.000 0.081 0.000 1.111 965 F HN 0.268 nan 8.300 nan 0.000 0.580 966 G N 0.053 108.999 108.800 0.243 0.000 2.529 966 G HA2 -0.374 3.605 3.960 0.031 0.000 0.219 966 G HA3 -0.374 3.605 3.960 0.031 0.000 0.219 966 G C 1.281 176.276 174.900 0.157 0.000 1.177 966 G CA 1.635 46.831 45.100 0.160 0.000 0.773 966 G HN 0.363 nan 8.290 nan 0.000 0.573 967 H N 1.486 120.598 119.070 0.070 0.000 2.894 967 H HA -0.158 4.416 4.556 0.031 0.000 0.299 967 H C 2.539 177.944 175.328 0.130 0.000 1.022 967 H CA 2.604 58.700 56.048 0.080 0.000 1.061 967 H CB -0.525 29.271 29.762 0.057 0.000 1.519 967 H HN 0.354 nan 8.280 nan 0.000 0.783 968 I N -0.852 119.917 120.570 0.332 0.000 4.126 968 I HA -0.424 3.765 4.170 0.031 0.000 0.123 968 I C 2.029 178.287 176.117 0.235 0.000 0.728 968 I CA 2.106 63.596 61.300 0.317 0.000 0.916 968 I CB -1.289 36.866 38.000 0.259 0.000 0.726 968 I HN 0.314 nan 8.210 nan 0.000 0.286 969 L N 1.451 122.776 121.223 0.170 0.000 2.814 969 L HA -0.055 4.304 4.340 0.031 0.000 0.248 969 L C 1.984 178.899 176.870 0.075 0.000 1.169 969 L CA 0.874 55.775 54.840 0.101 0.000 0.872 969 L CB -0.875 41.208 42.059 0.040 0.000 1.029 969 L HN 0.720 nan 8.230 nan 0.000 0.452 970 G N -0.638 108.210 108.800 0.080 0.000 3.192 970 G HA2 -0.044 3.935 3.960 0.031 0.000 0.239 970 G HA3 -0.044 3.935 3.960 0.031 0.000 0.239 970 G C 0.771 175.673 174.900 0.003 0.000 1.084 970 G CA 0.420 45.542 45.100 0.037 0.000 0.784 970 G HN 0.572 nan 8.290 nan 0.000 0.540 971 N N -2.289 116.415 118.700 0.006 0.000 1.952 971 N HA 0.115 4.874 4.740 0.031 0.000 0.231 971 N C 0.120 175.666 175.510 0.060 0.000 1.378 971 N CA -0.559 52.477 53.050 -0.023 0.000 0.828 971 N CB -0.052 38.338 38.487 -0.162 0.000 1.097 971 N HN 0.251 nan 8.380 nan 0.000 0.476 982 R N -0.824 119.690 120.500 0.024 0.000 2.716 982 R HA 0.722 5.080 4.340 0.031 0.000 0.271 982 R C -1.322 175.013 176.300 0.058 0.000 1.028 982 R CA -0.856 55.287 56.100 0.073 0.000 0.883 982 R CB 2.497 32.858 30.300 0.102 0.000 1.250 982 R HN -0.032 nan 8.270 nan 0.000 0.465 983 V N 1.995 121.965 119.914 0.095 0.000 2.971 983 V HA 0.447 4.586 4.120 0.031 0.000 0.309 983 V C -1.970 174.166 176.094 0.070 0.000 1.130 983 V CA -2.062 60.249 62.300 0.018 0.000 0.964 983 V CB 2.421 34.240 31.823 -0.008 0.000 1.029 983 V HN 0.684 nan 8.190 nan 0.000 0.427 984 P HA -0.007 nan 4.420 nan 0.000 0.212 984 P C 0.643 178.185 177.300 0.403 0.000 1.180 984 P CA 1.511 64.689 63.100 0.130 0.000 0.906 984 P CB 0.089 31.679 31.700 -0.182 0.000 0.782 985 F N -1.807 118.213 119.950 0.117 0.000 3.168 985 F HA 0.705 5.250 4.527 0.031 0.000 0.237 985 F C -0.255 175.660 175.800 0.191 0.000 1.560 985 F CA -1.208 56.922 58.000 0.216 0.000 0.948 985 F CB 0.036 39.176 39.000 0.233 0.000 1.885 985 F HN -0.469 nan 8.300 nan 0.000 0.360 986 V N 1.706 121.874 119.914 0.423 0.000 2.498 986 V HA 0.362 4.501 4.120 0.031 0.000 0.283 986 V C -1.530 174.781 176.094 0.362 0.000 1.015 986 V CA -0.231 62.217 62.300 0.246 0.000 0.867 986 V CB 1.422 33.425 31.823 0.300 0.000 1.025 986 V HN 0.525 nan 8.190 nan 0.000 0.441 987 L N 6.522 127.801 121.223 0.093 0.000 2.502 987 L HA 0.554 4.913 4.340 0.031 0.000 0.247 987 L C 0.729 177.526 176.870 -0.121 0.000 1.180 987 L CA 0.215 55.162 54.840 0.178 0.000 0.956 987 L CB 1.234 43.364 42.059 0.119 0.000 1.282 987 L HN 0.754 nan 8.230 nan 0.000 0.470 988 T N 0.365 114.694 114.554 -0.374 0.000 2.828 988 T HA 0.358 4.727 4.350 0.031 0.000 0.290 988 T C -1.808 172.541 174.700 -0.585 0.000 1.019 988 T CA -1.491 60.141 62.100 -0.781 0.000 1.031 988 T CB 0.615 68.741 68.868 -1.238 0.000 1.001 988 T HN 0.244 nan 8.240 nan 0.000 0.531 989 P HA -0.089 nan 4.420 nan 0.000 0.221 989 P C 0.882 178.151 177.300 -0.050 0.000 1.145 989 P CA 0.919 63.887 63.100 -0.220 0.000 0.795 989 P CB -0.030 31.614 31.700 -0.093 0.000 0.775 990 D N -0.750 119.543 120.400 -0.179 0.000 2.084 990 D HA -0.159 4.500 4.640 0.031 0.000 0.194 990 D C 1.723 178.108 176.300 0.141 0.000 0.990 990 D CA 1.255 55.223 54.000 -0.053 0.000 0.826 990 D CB -1.136 39.541 40.800 -0.205 0.000 0.971 990 D HN 0.162 nan 8.370 nan 0.000 0.453 991 F N 0.864 120.894 119.950 0.133 0.000 2.163 991 F HA 0.057 4.603 4.527 0.031 0.000 0.297 991 F C 2.528 178.457 175.800 0.216 0.000 1.094 991 F CA 0.049 58.232 58.000 0.305 0.000 1.290 991 F CB -1.238 38.001 39.000 0.398 0.000 1.017 991 F HN -0.092 nan 8.300 nan 0.000 0.483 992 L N -1.256 120.114 121.223 0.244 0.000 2.012 992 L HA -0.249 4.110 4.340 0.031 0.000 0.210 992 L C 2.485 179.444 176.870 0.149 0.000 1.073 992 L CA 1.510 56.426 54.840 0.128 0.000 0.748 992 L CB -0.945 41.114 42.059 -0.001 0.000 0.891 992 L HN 0.042 nan 8.230 nan 0.000 0.431 993 F N 0.298 120.269 119.950 0.034 0.000 2.161 993 F HA -0.230 4.316 4.527 0.031 0.000 0.300 993 F C 2.241 178.079 175.800 0.065 0.000 1.089 993 F CA 1.496 59.521 58.000 0.042 0.000 1.282 993 F CB -0.086 38.941 39.000 0.044 0.000 1.010 993 F HN -0.237 nan 8.300 nan 0.000 0.485 994 V N 0.310 120.380 119.914 0.259 0.000 2.515 994 V HA -0.319 3.820 4.120 0.031 0.000 0.250 994 V C 2.181 178.302 176.094 0.046 0.000 1.058 994 V CA 2.038 64.396 62.300 0.098 0.000 1.064 994 V CB -0.609 31.107 31.823 -0.179 0.000 0.675 994 V HN 0.397 nan 8.190 nan 0.000 0.461 995 M N -0.732 118.934 119.600 0.109 0.000 2.558 995 M HA 0.208 4.707 4.480 0.031 0.000 0.255 995 M C 1.747 178.139 176.300 0.153 0.000 1.113 995 M CA 1.160 56.548 55.300 0.147 0.000 1.097 995 M CB 0.361 33.092 32.600 0.218 0.000 1.426 995 M HN 0.547 nan 8.290 nan 0.000 0.488 996 G N -0.377 108.433 108.800 0.016 0.000 2.278 996 G HA2 -0.180 3.799 3.960 0.031 0.000 0.210 996 G HA3 -0.180 3.799 3.960 0.031 0.000 0.210 996 G C 0.346 175.181 174.900 -0.108 0.000 1.000 996 G CA -0.093 44.979 45.100 -0.047 0.000 0.635 996 G HN 0.360 nan 8.290 nan 0.000 0.495 997 T N 1.271 115.771 114.554 -0.090 0.000 2.913 997 T HA 0.554 4.923 4.350 0.031 0.000 0.297 997 T C 0.080 174.700 174.700 -0.135 0.000 1.029 997 T CA 1.052 63.050 62.100 -0.169 0.000 1.104 997 T CB 1.614 70.261 68.868 -0.367 0.000 0.964 997 T HN 0.762 nan 8.240 nan 0.000 0.532 998 S N 1.037 116.668 115.700 -0.114 0.000 2.541 998 S HA 0.643 5.131 4.470 0.031 0.000 0.280 998 S C 0.831 175.395 174.600 -0.059 0.000 1.112 998 S CA 0.201 58.380 58.200 -0.036 0.000 0.925 998 S CB 0.872 64.081 63.200 0.014 0.000 1.067 998 S HN 1.187 nan 8.310 nan 0.000 0.479 999 G N 4.847 113.624 108.800 -0.038 0.000 2.685 999 G HA2 -0.332 3.647 3.960 0.031 0.000 0.329 999 G HA3 -0.332 3.647 3.960 0.031 0.000 0.329 999 G C 0.406 175.251 174.900 -0.092 0.000 1.271 999 G CA 0.964 46.033 45.100 -0.051 0.000 1.003 999 G HN 0.892 nan 8.290 nan 0.000 0.549 1000 K N 1.259 121.614 120.400 -0.075 0.000 2.387 1000 K HA 0.275 4.613 4.320 0.031 0.000 0.198 1000 K C 1.054 177.598 176.600 -0.095 0.000 1.022 1000 K CA 0.123 56.359 56.287 -0.083 0.000 1.128 1000 K CB 0.578 33.046 32.500 -0.052 0.000 0.853 1000 K HN 0.549 nan 8.250 nan 0.000 0.523 1001 K N 1.331 121.666 120.400 -0.108 0.000 2.140 1001 K HA 0.149 4.488 4.320 0.031 0.000 0.237 1001 K C -0.612 175.884 176.600 -0.174 0.000 1.045 1001 K CA 0.148 56.372 56.287 -0.106 0.000 0.896 1001 K CB 0.703 33.151 32.500 -0.087 0.000 1.122 1001 K HN -0.158 nan 8.250 nan 0.000 0.503 1002 T N 1.436 115.914 114.554 -0.127 0.000 3.318 1002 T HA 0.085 4.454 4.350 0.031 0.000 0.304 1002 T C -0.758 173.940 174.700 -0.004 0.000 1.051 1002 T CA -0.597 61.423 62.100 -0.133 0.000 1.546 1002 T CB 0.461 69.311 68.868 -0.031 0.000 0.875 1002 T HN 0.742 nan 8.240 nan 0.000 0.578 1003 S N 2.943 118.637 115.700 -0.011 0.000 2.592 1003 S HA 0.181 4.670 4.470 0.031 0.000 0.256 1003 S C -1.120 173.557 174.600 0.128 0.000 1.369 1003 S CA -0.643 57.585 58.200 0.048 0.000 0.984 1003 S CB 0.327 63.555 63.200 0.045 0.000 0.919 1003 S HN 0.303 nan 8.310 nan 0.000 0.576 1004 P HA -0.105 nan 4.420 nan 0.000 0.214 1004 P C 1.319 178.695 177.300 0.126 0.000 1.162 1004 P CA 1.322 64.458 63.100 0.061 0.000 0.871 1004 P CB -0.340 31.331 31.700 -0.047 0.000 0.783 1005 H N -1.028 118.109 119.070 0.111 0.000 2.394 1005 H HA -0.158 4.417 4.556 0.031 0.000 0.297 1005 H C 1.945 177.378 175.328 0.175 0.000 1.113 1005 H CA 1.305 57.416 56.048 0.105 0.000 1.277 1005 H CB -1.081 28.734 29.762 0.089 0.000 1.370 1005 H HN 0.157 nan 8.280 nan 0.000 0.506 1006 F N 1.595 121.665 119.950 0.199 0.000 2.206 1006 F HA -0.131 4.415 4.527 0.031 0.000 0.298 1006 F C 2.406 178.343 175.800 0.229 0.000 1.090 1006 F CA 0.938 59.043 58.000 0.176 0.000 1.323 1006 F CB -0.080 38.964 39.000 0.073 0.000 1.028 1006 F HN 0.059 nan 8.300 nan 0.000 0.492 1007 Q N 0.413 120.380 119.800 0.279 0.000 2.181 1007 Q HA -0.243 4.116 4.340 0.031 0.000 0.205 1007 Q C 2.131 178.160 176.000 0.049 0.000 0.980 1007 Q CA 1.789 57.674 55.803 0.137 0.000 0.862 1007 Q CB -0.235 28.600 28.738 0.162 0.000 0.905 1007 Q HN 0.473 nan 8.270 nan 0.000 0.429 1008 K N 0.547 121.001 120.400 0.091 0.000 1.980 1008 K HA -0.160 4.178 4.320 0.031 0.000 0.208 1008 K C 1.851 178.473 176.600 0.036 0.000 1.043 1008 K CA 1.020 57.348 56.287 0.069 0.000 0.938 1008 K CB -0.277 32.281 32.500 0.098 0.000 0.724 1008 K HN 0.098 nan 8.250 nan 0.000 0.438 1009 F N 2.315 122.199 119.950 -0.110 0.000 2.063 1009 F HA -0.412 4.134 4.527 0.032 0.000 0.296 1009 F C 2.136 177.825 175.800 -0.184 0.000 1.093 1009 F CA 2.332 60.239 58.000 -0.154 0.000 1.229 1009 F CB -0.395 38.490 39.000 -0.192 0.000 0.971 1009 F HN 0.252 nan 8.300 nan 0.000 0.491 1010 Q N -0.449 119.238 119.800 -0.187 0.000 2.030 1010 Q HA -0.270 4.088 4.340 0.031 0.000 0.204 1010 Q C 1.966 177.872 176.000 -0.156 0.000 0.986 1010 Q CA 1.956 57.620 55.803 -0.233 0.000 0.843 1010 Q CB -0.514 28.118 28.738 -0.176 0.000 0.904 1010 Q HN 0.553 nan 8.270 nan 0.000 0.420 1011 D N -0.088 120.262 120.400 -0.084 0.000 2.309 1011 D HA -0.112 4.547 4.640 0.031 0.000 0.212 1011 D C 1.345 177.599 176.300 -0.077 0.000 0.968 1011 D CA 0.751 54.725 54.000 -0.043 0.000 0.882 1011 D CB 0.080 40.879 40.800 -0.002 0.000 0.918 1011 D HN 0.260 nan 8.370 nan 0.000 0.503 1012 I N -0.766 119.727 120.570 -0.129 0.000 2.429 1012 I HA -0.128 4.060 4.170 0.031 0.000 0.247 1012 I C 2.145 178.096 176.117 -0.278 0.000 1.099 1012 I CA 0.248 61.443 61.300 -0.176 0.000 1.422 1012 I CB -0.295 37.642 38.000 -0.105 0.000 1.112 1012 I HN 0.048 nan 8.210 nan 0.000 0.430 1013 C N 0.587 119.679 119.300 -0.346 0.000 2.421 1013 C HA -0.040 4.439 4.460 0.031 0.000 0.296 1013 C C 2.570 177.512 174.990 -0.081 0.000 1.470 1013 C CA 0.554 59.429 59.018 -0.240 0.000 1.779 1013 C CB -1.139 26.477 27.740 -0.206 0.000 1.715 1013 C HN 0.381 nan 8.230 nan 0.000 0.564 1014 V N -0.313 119.561 119.914 -0.066 0.000 3.048 1014 V HA 0.003 4.141 4.120 0.031 0.000 0.241 1014 V C 2.165 178.229 176.094 -0.050 0.000 1.129 1014 V CA 1.019 63.332 62.300 0.021 0.000 1.128 1014 V CB -0.254 31.601 31.823 0.054 0.000 0.849 1014 V HN 0.422 nan 8.190 nan 0.000 0.475 1015 K N 1.082 121.420 120.400 -0.103 0.000 2.155 1015 K HA 0.046 4.385 4.320 0.031 0.000 0.203 1015 K C 2.222 178.719 176.600 -0.171 0.000 1.052 1015 K CA 1.346 57.556 56.287 -0.128 0.000 0.948 1015 K CB -0.248 32.178 32.500 -0.124 0.000 0.728 1015 K HN 0.434 nan 8.250 nan 0.000 0.448 1016 A N 0.837 123.511 122.820 -0.244 0.000 1.872 1016 A HA -0.175 4.164 4.320 0.031 0.000 0.214 1016 A C 2.073 179.681 177.584 0.040 0.000 1.187 1016 A CA 1.102 52.971 52.037 -0.279 0.000 0.614 1016 A CB -0.766 17.821 19.000 -0.689 0.000 0.826 1016 A HN 0.376 nan 8.150 nan 0.000 0.442 1017 Y N 0.767 120.914 120.300 -0.255 0.000 2.165 1017 Y HA -0.167 4.402 4.550 0.031 0.000 0.286 1017 Y C 1.878 177.668 175.900 -0.183 0.000 1.155 1017 Y CA 1.680 59.587 58.100 -0.321 0.000 1.164 1017 Y CB -0.467 37.550 38.460 -0.738 0.000 0.978 1017 Y HN 0.210 nan 8.280 nan 0.000 0.513 1018 L N -0.481 120.509 121.223 -0.389 0.000 2.056 1018 L HA -0.152 4.207 4.340 0.031 0.000 0.207 1018 L C 2.833 179.404 176.870 -0.500 0.000 1.078 1018 L CA 1.017 55.580 54.840 -0.462 0.000 0.749 1018 L CB -1.120 40.767 42.059 -0.287 0.000 0.901 1018 L HN 0.273 nan 8.230 nan 0.000 0.433 1019 A N 0.585 123.187 122.820 -0.363 0.000 1.896 1019 A HA -0.255 4.084 4.320 0.031 0.000 0.220 1019 A C 2.231 179.745 177.584 -0.117 0.000 1.206 1019 A CA 1.980 53.861 52.037 -0.261 0.000 0.647 1019 A CB -0.962 18.100 19.000 0.103 0.000 0.828 1019 A HN 0.404 nan 8.150 nan 0.000 0.455 1020 L N -1.439 119.737 121.223 -0.079 0.000 2.141 1020 L HA -0.168 4.191 4.340 0.031 0.000 0.209 1020 L C 2.774 179.603 176.870 -0.070 0.000 1.094 1020 L CA 1.375 56.149 54.840 -0.110 0.000 0.763 1020 L CB -0.538 41.448 42.059 -0.122 0.000 0.908 1020 L HN 0.415 nan 8.230 nan 0.000 0.437 1021 R N -0.819 119.575 120.500 -0.177 0.000 2.148 1021 R HA -0.090 4.269 4.340 0.031 0.000 0.223 1021 R C 1.702 178.016 176.300 0.023 0.000 1.088 1021 R CA 0.700 56.714 56.100 -0.143 0.000 0.985 1021 R CB -0.467 29.660 30.300 -0.289 0.000 0.880 1021 R HN 0.532 nan 8.270 nan 0.000 0.451 1022 H N -0.471 118.548 119.070 -0.085 0.000 2.568 1022 H HA -0.058 4.517 4.556 0.032 0.000 0.285 1022 H C 0.370 175.507 175.328 -0.319 0.000 1.048 1022 H CA 0.358 56.318 56.048 -0.146 0.000 1.197 1022 H CB 0.083 29.787 29.762 -0.096 0.000 1.343 1022 H HN 0.355 nan 8.280 nan 0.000 0.614 1023 H N -1.592 117.475 119.070 -0.006 0.000 3.109 1023 H HA 0.046 4.622 4.556 0.032 0.000 0.248 1023 H C 1.185 176.473 175.328 -0.068 0.000 1.177 1023 H CA 0.069 56.089 56.048 -0.048 0.000 0.977 1023 H CB 0.715 30.433 29.762 -0.073 0.000 2.165 1023 H HN 0.231 nan 8.280 nan 0.000 0.693 1024 T N 1.375 115.933 114.554 0.007 0.000 2.635 1024 T HA -0.278 4.091 4.350 0.031 0.000 0.265 1024 T C 1.895 176.582 174.700 -0.022 0.000 1.058 1024 T CA 2.259 64.338 62.100 -0.035 0.000 1.162 1024 T CB -0.049 68.784 68.868 -0.059 0.000 0.859 1024 T HN 0.374 nan 8.240 nan 0.000 0.449 1025 N N 0.677 119.368 118.700 -0.015 0.000 2.058 1025 N HA 0.017 4.775 4.740 0.031 0.000 0.191 1025 N C 1.789 177.307 175.510 0.014 0.000 1.037 1025 N CA 0.758 53.805 53.050 -0.004 0.000 0.848 1025 N CB -0.663 37.818 38.487 -0.009 0.000 1.021 1025 N HN 0.260 nan 8.380 nan 0.000 0.422 1026 L N 0.577 121.818 121.223 0.029 0.000 1.989 1026 L HA -0.179 4.180 4.340 0.031 0.000 0.211 1026 L C 1.827 178.714 176.870 0.029 0.000 1.071 1026 L CA 1.470 56.329 54.840 0.031 0.000 0.749 1026 L CB -0.409 41.690 42.059 0.066 0.000 0.890 1026 L HN 0.247 nan 8.230 nan 0.000 0.431 1027 L N -0.498 120.734 121.223 0.015 0.000 2.046 1027 L HA -0.262 4.097 4.340 0.031 0.000 0.208 1027 L C 2.546 179.440 176.870 0.040 0.000 1.077 1027 L CA 1.241 56.084 54.840 0.004 0.000 0.747 1027 L CB -0.450 41.579 42.059 -0.050 0.000 0.896 1027 L HN 0.280 nan 8.230 nan 0.000 0.432 1028 I N -0.462 120.113 120.570 0.007 0.000 2.335 1028 I HA -0.301 3.888 4.170 0.031 0.000 0.251 1028 I C 2.404 178.583 176.117 0.104 0.000 1.129 1028 I CA 1.240 62.555 61.300 0.024 0.000 1.402 1028 I CB -0.064 37.928 38.000 -0.012 0.000 1.069 1028 I HN 0.210 nan 8.210 nan 0.000 0.424 1029 I N 0.103 120.720 120.570 0.078 0.000 2.400 1029 I HA -0.147 4.042 4.170 0.031 0.000 0.248 1029 I C 2.164 178.339 176.117 0.096 0.000 1.109 1029 I CA 1.322 62.669 61.300 0.078 0.000 1.425 1029 I CB -0.070 37.961 38.000 0.051 0.000 1.094 1029 I HN 0.034 nan 8.210 nan 0.000 0.425 1030 L N -0.581 120.700 121.223 0.095 0.000 2.012 1030 L HA -0.259 4.100 4.340 0.031 0.000 0.210 1030 L C 2.521 179.463 176.870 0.121 0.000 1.073 1030 L CA 2.005 56.903 54.840 0.096 0.000 0.748 1030 L CB -0.921 41.189 42.059 0.084 0.000 0.891 1030 L HN 0.306 nan 8.230 nan 0.000 0.431 1031 F N -0.181 119.764 119.950 -0.009 0.000 2.259 1031 F HA -0.191 4.355 4.527 0.031 0.000 0.298 1031 F C 2.725 178.528 175.800 0.005 0.000 1.088 1031 F CA 1.384 59.377 58.000 -0.011 0.000 1.358 1031 F CB 0.015 39.011 39.000 -0.007 0.000 1.040 1031 F HN -0.025 nan 8.300 nan 0.000 0.505 1032 S N -0.063 115.789 115.700 0.253 0.000 2.436 1032 S HA -0.065 4.424 4.470 0.031 0.000 0.228 1032 S C 1.912 176.538 174.600 0.043 0.000 1.014 1032 S CA 0.868 59.160 58.200 0.153 0.000 0.950 1032 S CB -0.230 63.058 63.200 0.148 0.000 0.784 1032 S HN 0.506 nan 8.310 nan 0.000 0.504 1033 M N 0.397 120.033 119.600 0.060 0.000 2.334 1033 M HA 0.113 4.612 4.480 0.031 0.000 0.266 1033 M C 2.267 178.593 176.300 0.043 0.000 1.082 1033 M CA 0.949 56.316 55.300 0.113 0.000 1.141 1033 M CB -0.268 32.430 32.600 0.163 0.000 1.380 1033 M HN 0.445 nan 8.290 nan 0.000 0.440 1034 M N 0.781 120.349 119.600 -0.055 0.000 2.080 1034 M HA -0.225 4.274 4.480 0.031 0.000 0.260 1034 M C 1.841 178.046 176.300 -0.159 0.000 1.068 1034 M CA 1.792 57.012 55.300 -0.133 0.000 1.109 1034 M CB -0.107 32.365 32.600 -0.212 0.000 1.342 1034 M HN 0.255 nan 8.290 nan 0.000 0.405 1035 L N -0.301 120.787 121.223 -0.225 0.000 2.191 1035 L HA -0.212 4.147 4.340 0.031 0.000 0.212 1035 L C 2.410 179.236 176.870 -0.073 0.000 1.103 1035 L CA 1.119 55.841 54.840 -0.196 0.000 0.769 1035 L CB -0.495 41.428 42.059 -0.227 0.000 0.908 1035 L HN 0.501 nan 8.230 nan 0.000 0.438 1036 M N -1.187 118.409 119.600 -0.007 0.000 2.394 1036 M HA -0.055 4.444 4.480 0.031 0.000 0.266 1036 M C 1.997 178.323 176.300 0.043 0.000 1.098 1036 M CA 1.630 56.970 55.300 0.066 0.000 1.149 1036 M CB -0.105 32.600 32.600 0.175 0.000 1.369 1036 M HN 0.308 nan 8.290 nan 0.000 0.450 1037 T N -4.173 110.381 114.554 0.001 0.000 3.023 1037 T HA 0.296 4.665 4.350 0.031 0.000 0.253 1037 T C 1.302 175.952 174.700 -0.083 0.000 1.038 1037 T CA 0.534 62.590 62.100 -0.074 0.000 0.962 1037 T CB 0.430 69.211 68.868 -0.146 0.000 1.018 1037 T HN 0.371 nan 8.240 nan 0.000 0.521 1038 G N 0.903 109.657 108.800 -0.077 0.000 2.626 1038 G HA2 0.310 4.289 3.960 0.031 0.000 0.193 1038 G HA3 0.310 4.289 3.960 0.031 0.000 0.193 1038 G C 0.319 175.179 174.900 -0.067 0.000 1.195 1038 G CA -0.383 44.668 45.100 -0.081 0.000 0.864 1038 G HN 0.350 nan 8.290 nan 0.000 0.790 1039 M N 3.159 122.717 119.600 -0.071 0.000 2.060 1039 M HA 0.345 4.843 4.480 0.031 0.000 0.342 1039 M C -2.921 173.356 176.300 -0.039 0.000 1.031 1039 M CA -2.775 52.491 55.300 -0.057 0.000 0.981 1039 M CB 0.864 33.413 32.600 -0.084 0.000 1.376 1039 M HN -0.094 nan 8.290 nan 0.000 0.397 1040 P HA 0.143 nan 4.420 nan 0.000 0.271 1040 P C 0.131 177.423 177.300 -0.013 0.000 1.220 1040 P CA 0.488 63.573 63.100 -0.024 0.000 0.768 1040 P CB 0.985 32.675 31.700 -0.016 0.000 0.848 1041 Q N 0.190 119.979 119.800 -0.019 0.000 2.306 1041 Q HA -0.212 4.146 4.340 0.031 0.000 0.149 1041 Q C 0.276 176.278 176.000 0.004 0.000 0.719 1041 Q CA 1.239 57.036 55.803 -0.009 0.000 1.328 1041 Q CB -1.491 27.248 28.738 0.001 0.000 1.281 1041 Q HN 0.491 nan 8.270 nan 0.000 0.978 1042 L N 1.955 123.180 121.223 0.004 0.000 2.719 1042 L HA 0.149 4.507 4.340 0.031 0.000 0.236 1042 L C 0.702 177.572 176.870 0.001 0.000 1.285 1042 L CA 0.144 54.991 54.840 0.011 0.000 1.222 1042 L CB 0.253 42.319 42.059 0.012 0.000 1.493 1042 L HN 0.171 nan 8.230 nan 0.000 0.415 1043 T N -1.763 112.799 114.554 0.014 0.000 3.518 1043 T HA 0.003 4.372 4.350 0.031 0.000 0.211 1043 T C 1.264 175.996 174.700 0.053 0.000 0.940 1043 T CA 0.832 62.949 62.100 0.027 0.000 1.307 1043 T CB 0.475 69.365 68.868 0.038 0.000 1.392 1043 T HN 0.560 nan 8.240 nan 0.000 0.382 1044 S N 1.533 117.269 115.700 0.060 0.000 2.443 1044 S HA -0.417 4.072 4.470 0.031 0.000 0.241 1044 S C 1.197 175.845 174.600 0.079 0.000 1.257 1044 S CA 2.816 61.057 58.200 0.069 0.000 1.628 1044 S CB -1.616 61.620 63.200 0.061 0.000 2.116 1044 S HN 0.989 nan 8.310 nan 0.000 0.638 1045 K N 0.078 120.527 120.400 0.082 0.000 3.409 1045 K HA -0.292 4.047 4.320 0.031 0.000 0.416 1045 K C 0.610 177.269 176.600 0.099 0.000 0.454 1045 K CA 2.701 59.038 56.287 0.084 0.000 1.833 1045 K CB -2.084 30.454 32.500 0.064 0.000 0.856 1045 K HN 0.574 nan 8.250 nan 0.000 0.446 1046 E N 1.232 121.485 120.200 0.089 0.000 2.331 1046 E HA -0.084 4.284 4.350 0.031 0.000 0.199 1046 E C 1.172 177.850 176.600 0.130 0.000 1.008 1046 E CA 1.516 57.973 56.400 0.096 0.000 0.843 1046 E CB -0.165 29.583 29.700 0.080 0.000 0.761 1046 E HN 0.545 nan 8.360 nan 0.000 0.507 1047 D N -0.411 120.070 120.400 0.135 0.000 2.183 1047 D HA 0.012 4.671 4.640 0.031 0.000 0.205 1047 D C 1.893 178.376 176.300 0.306 0.000 0.962 1047 D CA 0.527 54.633 54.000 0.177 0.000 0.849 1047 D CB 0.047 40.910 40.800 0.103 0.000 0.978 1047 D HN 0.245 nan 8.370 nan 0.000 0.488 1048 I N 1.210 121.942 120.570 0.270 0.000 2.315 1048 I HA -0.168 4.021 4.170 0.031 0.000 0.248 1048 I C 2.227 178.517 176.117 0.289 0.000 1.117 1048 I CA 0.936 62.476 61.300 0.399 0.000 1.404 1048 I CB -0.224 37.912 38.000 0.228 0.000 1.071 1048 I HN -0.097 nan 8.210 nan 0.000 0.419 1049 E N 0.266 120.566 120.200 0.167 0.000 2.265 1049 E HA -0.255 4.113 4.350 0.031 0.000 0.196 1049 E C 1.971 178.586 176.600 0.025 0.000 0.996 1049 E CA 0.897 57.339 56.400 0.070 0.000 0.832 1049 E CB -0.146 29.586 29.700 0.054 0.000 0.756 1049 E HN 0.547 nan 8.360 nan 0.000 0.491 1050 Y N 1.200 121.496 120.300 -0.008 0.000 2.102 1050 Y HA -0.296 4.273 4.550 0.032 0.000 0.280 1050 Y C 2.146 177.921 175.900 -0.208 0.000 1.178 1050 Y CA 1.863 59.931 58.100 -0.053 0.000 1.146 1050 Y CB -0.241 38.233 38.460 0.024 0.000 0.968 1050 Y HN 0.039 nan 8.280 nan 0.000 0.504 1051 I N 0.115 120.520 120.570 -0.275 0.000 2.567 1051 I HA -0.225 3.964 4.170 0.031 0.000 0.257 1051 I C 2.534 178.421 176.117 -0.383 0.000 1.184 1051 I CA 1.155 62.142 61.300 -0.521 0.000 1.451 1051 I CB -0.311 37.025 38.000 -1.107 0.000 1.089 1051 I HN 0.198 nan 8.210 nan 0.000 0.441 1052 R N 0.789 121.123 120.500 -0.278 0.000 2.070 1052 R HA -0.177 4.182 4.340 0.031 0.000 0.232 1052 R C 1.950 178.116 176.300 -0.223 0.000 1.138 1052 R CA 2.201 58.184 56.100 -0.196 0.000 0.936 1052 R CB -0.294 29.932 30.300 -0.123 0.000 0.839 1052 R HN 0.370 nan 8.270 nan 0.000 0.429 1053 D N 0.126 120.367 120.400 -0.265 0.000 2.104 1053 D HA -0.195 4.464 4.640 0.031 0.000 0.194 1053 D C 1.726 177.853 176.300 -0.288 0.000 0.994 1053 D CA 1.711 55.556 54.000 -0.258 0.000 0.830 1053 D CB -0.400 40.248 40.800 -0.253 0.000 0.959 1053 D HN 0.401 nan 8.370 nan 0.000 0.452 1054 A N 0.592 123.144 122.820 -0.446 0.000 1.902 1054 A HA -0.093 4.246 4.320 0.031 0.000 0.217 1054 A C 2.330 179.851 177.584 -0.106 0.000 1.181 1054 A CA 0.897 52.681 52.037 -0.422 0.000 0.623 1054 A CB -0.690 17.848 19.000 -0.771 0.000 0.818 1054 A HN 0.217 nan 8.150 nan 0.000 0.443 1055 L N -1.433 119.711 121.223 -0.132 0.000 2.554 1055 L HA 0.037 4.396 4.340 0.031 0.000 0.226 1055 L C 1.124 177.953 176.870 -0.068 0.000 1.137 1055 L CA 0.720 55.537 54.840 -0.038 0.000 0.863 1055 L CB -0.018 41.970 42.059 -0.118 0.000 0.985 1055 L HN 0.431 nan 8.230 nan 0.000 0.451 1056 T N -0.305 114.176 114.554 -0.122 0.000 4.221 1056 T HA -0.168 4.201 4.350 0.031 0.000 0.343 1056 T C 0.093 174.714 174.700 -0.132 0.000 0.755 1056 T CA 0.375 62.369 62.100 -0.176 0.000 1.949 1056 T CB -1.161 67.615 68.868 -0.154 0.000 1.874 1056 T HN 0.126 nan 8.240 nan 0.000 0.890 1057 V N 0.815 120.657 119.914 -0.120 0.000 2.763 1057 V HA 0.468 4.607 4.120 0.031 0.000 0.306 1057 V C 1.737 177.783 176.094 -0.080 0.000 1.059 1057 V CA 2.172 64.416 62.300 -0.093 0.000 1.138 1057 V CB 0.750 32.521 31.823 -0.085 0.000 0.940 1057 V HN 1.463 nan 8.190 nan 0.000 0.489 1058 G N 5.358 114.120 108.800 -0.063 0.000 2.956 1058 G HA2 -0.201 3.778 3.960 0.031 0.000 0.210 1058 G HA3 -0.201 3.778 3.960 0.031 0.000 0.210 1058 G C 0.249 175.123 174.900 -0.044 0.000 1.316 1058 G CA 0.128 45.198 45.100 -0.050 0.000 0.819 1058 G HN 0.800 nan 8.290 nan 0.000 0.544 1059 K N 2.490 122.860 120.400 -0.051 0.000 2.336 1059 K HA 0.325 4.664 4.320 0.031 0.000 0.262 1059 K C 0.711 177.297 176.600 -0.024 0.000 0.992 1059 K CA 0.383 56.651 56.287 -0.032 0.000 0.927 1059 K CB 0.133 32.612 32.500 -0.035 0.000 0.956 1059 K HN 0.917 nan 8.250 nan 0.000 0.495 1060 N N -0.831 117.865 118.700 -0.006 0.000 2.434 1060 N HA 0.081 4.840 4.740 0.031 0.000 0.266 1060 N C 0.602 176.119 175.510 0.010 0.000 1.223 1060 N CA -0.591 52.458 53.050 -0.002 0.000 0.972 1060 N CB 0.854 39.345 38.487 0.005 0.000 1.207 1060 N HN 0.410 nan 8.380 nan 0.000 0.525 1061 E N -0.290 119.917 120.200 0.012 0.000 2.058 1061 E HA -0.239 4.130 4.350 0.031 0.000 0.194 1061 E C 1.122 177.752 176.600 0.050 0.000 0.997 1061 E CA 1.251 57.664 56.400 0.022 0.000 0.801 1061 E CB -0.041 29.677 29.700 0.029 0.000 0.746 1061 E HN 0.587 nan 8.360 nan 0.000 0.450 1062 E N 1.024 121.253 120.200 0.048 0.000 2.021 1062 E HA -0.212 4.157 4.350 0.031 0.000 0.200 1062 E C 1.804 178.455 176.600 0.085 0.000 1.015 1062 E CA 1.338 57.775 56.400 0.062 0.000 0.824 1062 E CB -0.524 29.205 29.700 0.048 0.000 0.762 1062 E HN 0.232 nan 8.360 nan 0.000 0.454 1063 D N 0.031 120.476 120.400 0.074 0.000 2.271 1063 D HA -0.146 4.513 4.640 0.031 0.000 0.207 1063 D C 1.546 177.933 176.300 0.145 0.000 0.983 1063 D CA 1.388 55.444 54.000 0.094 0.000 0.878 1063 D CB -0.003 40.834 40.800 0.061 0.000 0.920 1063 D HN 0.244 nan 8.370 nan 0.000 0.479 1064 A N 0.166 123.071 122.820 0.141 0.000 1.871 1064 A HA -0.047 4.291 4.320 0.031 0.000 0.211 1064 A C 1.954 179.742 177.584 0.340 0.000 1.207 1064 A CA 0.911 53.084 52.037 0.226 0.000 0.620 1064 A CB -0.365 18.696 19.000 0.101 0.000 0.860 1064 A HN 0.072 nan 8.150 nan 0.000 0.450 1065 K N 0.315 120.855 120.400 0.232 0.000 2.127 1065 K HA -0.283 4.056 4.320 0.031 0.000 0.208 1065 K C 2.071 178.825 176.600 0.257 0.000 1.047 1065 K CA 2.143 58.573 56.287 0.239 0.000 0.927 1065 K CB -0.187 32.400 32.500 0.145 0.000 0.716 1065 K HN 0.446 nan 8.250 nan 0.000 0.450 1066 K N -0.245 120.287 120.400 0.221 0.000 1.973 1066 K HA -0.237 4.102 4.320 0.031 0.000 0.212 1066 K C 2.138 178.883 176.600 0.242 0.000 1.047 1066 K CA 1.754 58.157 56.287 0.193 0.000 0.937 1066 K CB -0.550 32.045 32.500 0.158 0.000 0.721 1066 K HN 0.210 nan 8.250 nan 0.000 0.440 1067 Y N 0.041 120.440 120.300 0.165 0.000 2.172 1067 Y HA -0.325 4.245 4.550 0.033 0.000 0.280 1067 Y C 1.836 177.815 175.900 0.132 0.000 1.209 1067 Y CA 2.134 60.327 58.100 0.155 0.000 1.171 1067 Y CB -0.267 38.319 38.460 0.209 0.000 0.965 1067 Y HN 0.253 nan 8.280 nan 0.000 0.520 1068 F N -0.589 119.431 119.950 0.118 0.000 2.335 1068 F HA -0.020 4.526 4.527 0.031 0.000 0.296 1068 F C 1.757 177.510 175.800 -0.078 0.000 1.091 1068 F CA 0.939 58.866 58.000 -0.121 0.000 1.399 1068 F CB -0.286 38.588 39.000 -0.210 0.000 1.067 1068 F HN -0.010 nan 8.300 nan 0.000 0.520 1069 L N -0.289 120.952 121.223 0.031 0.000 2.156 1069 L HA -0.167 4.192 4.340 0.031 0.000 0.208 1069 L C 1.840 178.665 176.870 -0.075 0.000 1.095 1069 L CA 0.974 55.804 54.840 -0.015 0.000 0.770 1069 L CB -0.659 41.444 42.059 0.075 0.000 0.914 1069 L HN 0.002 nan 8.230 nan 0.000 0.439 1070 D N -0.590 119.749 120.400 -0.100 0.000 2.117 1070 D HA -0.169 4.489 4.640 0.031 0.000 0.198 1070 D C 2.308 178.460 176.300 -0.247 0.000 0.982 1070 D CA 0.779 54.694 54.000 -0.142 0.000 0.828 1070 D CB -0.178 40.535 40.800 -0.146 0.000 0.967 1070 D HN 0.210 nan 8.370 nan 0.000 0.464 1071 Q N 0.490 120.059 119.800 -0.386 0.000 2.014 1071 Q HA -0.108 4.251 4.340 0.031 0.000 0.207 1071 Q C 2.606 178.347 176.000 -0.431 0.000 0.993 1071 Q CA 0.840 56.349 55.803 -0.491 0.000 0.850 1071 Q CB -0.601 27.699 28.738 -0.729 0.000 0.916 1071 Q HN 0.429 nan 8.270 nan 0.000 0.417 1072 I N 1.150 121.518 120.570 -0.336 0.000 2.423 1072 I HA -0.239 3.949 4.170 0.031 0.000 0.254 1072 I C 2.008 178.047 176.117 -0.130 0.000 1.151 1072 I CA 0.986 62.203 61.300 -0.139 0.000 1.421 1072 I CB -0.243 37.791 38.000 0.057 0.000 1.079 1072 I HN 0.133 nan 8.210 nan 0.000 0.431 1073 E N 0.408 120.530 120.200 -0.131 0.000 2.170 1073 E HA -0.054 4.315 4.350 0.031 0.000 0.191 1073 E C 2.403 178.919 176.600 -0.140 0.000 0.981 1073 E CA 0.777 57.123 56.400 -0.090 0.000 0.830 1073 E CB -0.116 29.549 29.700 -0.059 0.000 0.775 1073 E HN 0.324 nan 8.360 nan 0.000 0.470 1074 V N 0.634 120.429 119.914 -0.199 0.000 2.720 1074 V HA -0.247 3.892 4.120 0.031 0.000 0.256 1074 V C 2.374 178.339 176.094 -0.215 0.000 1.082 1074 V CA 1.150 63.337 62.300 -0.188 0.000 1.101 1074 V CB -0.689 31.012 31.823 -0.203 0.000 0.693 1074 V HN 0.278 nan 8.190 nan 0.000 0.479 1075 C N -0.147 118.978 119.300 -0.292 0.000 2.462 1075 C HA -0.075 4.404 4.460 0.031 0.000 0.278 1075 C C 2.873 177.733 174.990 -0.217 0.000 1.253 1075 C CA 0.568 59.402 59.018 -0.307 0.000 1.713 1075 C CB -0.994 26.500 27.740 -0.409 0.000 2.049 1075 C HN 0.478 nan 8.230 nan 0.000 0.477 1076 R N 0.942 121.344 120.500 -0.164 0.000 2.193 1076 R HA -0.101 4.258 4.340 0.031 0.000 0.229 1076 R C 1.085 177.315 176.300 -0.117 0.000 1.110 1076 R CA 1.263 57.282 56.100 -0.135 0.000 0.988 1076 R CB -0.468 29.772 30.300 -0.100 0.000 0.871 1076 R HN 0.597 nan 8.270 nan 0.000 0.458 1077 D N -0.252 120.083 120.400 -0.109 0.000 2.327 1077 D HA -0.016 4.642 4.640 0.031 0.000 0.205 1077 D C 1.414 177.671 176.300 -0.071 0.000 0.989 1077 D CA 0.757 54.710 54.000 -0.079 0.000 0.873 1077 D CB 0.231 40.990 40.800 -0.069 0.000 0.955 1077 D HN -0.055 nan 8.370 nan 0.000 0.515 1078 K N -0.441 119.901 120.400 -0.096 0.000 2.334 1078 K HA 0.223 4.562 4.320 0.031 0.000 0.195 1078 K C 1.472 178.026 176.600 -0.077 0.000 1.045 1078 K CA 0.738 56.981 56.287 -0.072 0.000 1.004 1078 K CB 0.331 32.781 32.500 -0.083 0.000 0.837 1078 K HN 0.088 nan 8.250 nan 0.000 0.510 1079 G N -0.180 108.527 108.800 -0.155 0.000 4.328 1079 G HA2 -0.356 3.623 3.960 0.031 0.000 0.222 1079 G HA3 -0.356 3.623 3.960 0.031 0.000 0.222 1079 G C 1.062 175.713 174.900 -0.414 0.000 1.366 1079 G CA 0.970 45.941 45.100 -0.214 0.000 1.115 1079 G HN 0.474 nan 8.290 nan 0.000 0.667 1080 W N -1.335 119.918 121.300 -0.078 0.000 0.835 1080 W HA 0.202 4.881 4.660 0.032 0.000 0.145 1080 W C 2.150 178.677 176.519 0.013 0.000 0.644 1080 W CA 0.600 57.886 57.345 -0.100 0.000 0.493 1080 W CB -0.209 29.184 29.460 -0.110 0.000 0.709 1080 W HN 0.260 nan 8.180 nan 0.000 0.404 1081 T N 0.680 115.386 114.554 0.254 0.000 2.760 1081 T HA -0.227 4.142 4.350 0.031 0.000 0.269 1081 T C 1.411 176.242 174.700 0.218 0.000 1.047 1081 T CA 1.908 64.162 62.100 0.258 0.000 1.139 1081 T CB -0.442 68.504 68.868 0.131 0.000 0.855 1081 T HN 0.007 nan 8.240 nan 0.000 0.471 1082 V N 0.312 120.318 119.914 0.153 0.000 2.492 1082 V HA -0.009 4.130 4.120 0.031 0.000 0.241 1082 V C 2.659 178.894 176.094 0.235 0.000 1.041 1082 V CA 0.590 62.958 62.300 0.114 0.000 1.057 1082 V CB -0.622 31.275 31.823 0.124 0.000 0.711 1082 V HN 0.182 nan 8.190 nan 0.000 0.468 1083 Q N 0.124 120.075 119.800 0.252 0.000 2.014 1083 Q HA -0.232 4.127 4.340 0.031 0.000 0.207 1083 Q C 2.198 178.385 176.000 0.312 0.000 0.993 1083 Q CA 2.237 58.193 55.803 0.254 0.000 0.850 1083 Q CB -0.837 27.925 28.738 0.041 0.000 0.916 1083 Q HN 0.636 nan 8.270 nan 0.000 0.417 1084 F N 1.610 121.645 119.950 0.141 0.000 2.192 1084 F HA -0.242 4.304 4.527 0.031 0.000 0.301 1084 F C 1.739 177.696 175.800 0.261 0.000 1.079 1084 F CA 1.675 59.809 58.000 0.223 0.000 1.303 1084 F CB -0.486 38.596 39.000 0.138 0.000 1.024 1084 F HN 0.139 nan 8.300 nan 0.000 0.494 1085 N N -1.109 117.551 118.700 -0.068 0.000 2.135 1085 N HA -0.173 4.586 4.740 0.031 0.000 0.186 1085 N C 1.739 177.185 175.510 -0.106 0.000 1.027 1085 N CA 1.625 54.528 53.050 -0.245 0.000 0.849 1085 N CB -0.471 37.888 38.487 -0.214 0.000 1.002 1085 N HN 0.389 nan 8.380 nan 0.000 0.425 1086 W N 0.057 121.405 121.300 0.080 0.000 2.363 1086 W HA -0.112 4.567 4.660 0.031 0.000 0.296 1086 W C 1.920 178.493 176.519 0.090 0.000 1.212 1086 W CA 0.505 57.907 57.345 0.095 0.000 1.260 1086 W CB -0.357 29.166 29.460 0.104 0.000 1.131 1086 W HN 0.076 nan 8.180 nan 0.000 0.530 1087 F N 0.384 120.494 119.950 0.266 0.000 2.075 1087 F HA -0.229 4.317 4.527 0.031 0.000 0.297 1087 F C 2.112 177.954 175.800 0.071 0.000 1.113 1087 F CA 1.789 59.912 58.000 0.205 0.000 1.218 1087 F CB -0.614 38.599 39.000 0.354 0.000 0.984 1087 F HN -0.289 nan 8.300 nan 0.000 0.472 1088 L N -0.417 120.947 121.223 0.236 0.000 2.127 1088 L HA -0.264 4.094 4.340 0.031 0.000 0.211 1088 L C 2.421 179.305 176.870 0.022 0.000 1.089 1088 L CA 1.660 56.537 54.840 0.061 0.000 0.757 1088 L CB -0.952 40.996 42.059 -0.185 0.000 0.899 1088 L HN 0.343 nan 8.230 nan 0.000 0.434 1089 H N -0.267 118.758 119.070 -0.075 0.000 2.300 1089 H HA -0.050 4.525 4.556 0.031 0.000 0.312 1089 H C 1.855 177.159 175.328 -0.040 0.000 1.057 1089 H CA 1.226 57.228 56.048 -0.076 0.000 1.380 1089 H CB -0.148 29.537 29.762 -0.128 0.000 1.424 1089 H HN -0.005 nan 8.280 nan 0.000 0.534 1090 L N 0.190 121.254 121.223 -0.265 0.000 2.291 1090 L HA 0.009 4.368 4.340 0.031 0.000 0.214 1090 L C 2.116 178.807 176.870 -0.299 0.000 1.120 1090 L CA 0.765 55.377 54.840 -0.380 0.000 0.799 1090 L CB -0.154 41.769 42.059 -0.228 0.000 0.925 1090 L HN 0.225 nan 8.230 nan 0.000 0.446 1091 V N -1.164 118.536 119.914 -0.358 0.000 3.174 1091 V HA -0.017 4.122 4.120 0.031 0.000 0.254 1091 V C 1.505 177.431 176.094 -0.279 0.000 1.120 1091 V CA 1.393 63.426 62.300 -0.445 0.000 1.114 1091 V CB 0.065 31.285 31.823 -1.005 0.000 0.756 1091 V HN 0.488 nan 8.190 nan 0.000 0.467 1092 L N -3.921 117.188 121.223 -0.190 0.000 2.481 1092 L HA 0.809 5.168 4.340 0.031 0.000 0.253 1092 L C 0.849 177.701 176.870 -0.029 0.000 1.071 1092 L CA 0.288 55.074 54.840 -0.090 0.000 1.189 1092 L CB 0.046 42.071 42.059 -0.057 0.000 2.356 1092 L HN 0.198 nan 8.230 nan 0.000 0.545 1093 G N 0.000 108.809 108.800 0.014 0.000 5.446 1093 G HA2 0.000 3.979 3.960 0.031 0.000 0.244 1093 G HA3 0.000 3.979 3.960 0.031 0.000 0.244 1093 G CA 0.000 45.168 45.100 0.113 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925