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 2h5e_1_A DATA FIRST_RESID 3 DATA SEQUENCE LSPYLQEVAK RRTFAIISHP DAGKTTITEK VLLFGQXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXITT SVMQFPYHDC LVNLLDTPGH EDFSEDTYRT DATA SEQUENCE LTAVDCCLMV IDAAKGVEDR TRKLMEVTRL RDTPILTFMN KLDRDIRDPM DATA SEQUENCE ELLDEVENEL KIGCAPITWP IGCGKLFKGV YHLYKDETYL YQSGKGHTIQ DATA SEQUENCE EVRIVKGLNN PDLDAAVGED LAQQLRDELE LVKGASNEFD KELFLAGEIT DATA SEQUENCE PVFFGTALGN FGVDHMLDGL VEWAPAPMPR QTDTRTVEAS EDKFTGFVFK DATA SEQUENCE IQANMDPKHR DRVAFMRVVS GKYEKGMKLR QVRTAKDVVI SDALTFMAXX DATA SEQUENCE XXXVEEAYPG DILGLHNHGT IQIGDTFTQG EMMKFTGIPN FAPELFRRIR DATA SEQUENCE LKDPXXXKQL LKGLVQLSEE GAVQVFRPIS NNDLIVGAVG VLQFDVVVAR DATA SEQUENCE LKSEYNVEAV YESVNVATAR WVECADAKKF EEFKRKNESQ LALDGGDNLA DATA SEQUENCE YIATSMVNLR LAQERYPDVQ FHQTREH 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.884 176.870 0.023 0.000 1.165 3 L CA 0.000 54.846 54.840 0.011 0.000 0.813 3 L CB 0.000 42.063 42.059 0.006 0.000 0.961 4 S N -0.369 115.354 115.700 0.037 0.000 2.667 4 S HA 0.785 5.265 4.470 0.016 0.000 0.304 4 S C -1.618 173.033 174.600 0.085 0.000 1.135 4 S CA -0.969 57.269 58.200 0.063 0.000 1.125 4 S CB 1.891 65.142 63.200 0.085 0.000 0.996 4 S HN 0.204 nan 8.310 nan 0.000 0.474 5 P HA -0.327 nan 4.420 nan 0.000 0.234 5 P C 0.954 178.301 177.300 0.078 0.000 1.067 5 P CA 2.128 65.266 63.100 0.064 0.000 1.034 5 P CB -0.322 31.431 31.700 0.088 0.000 0.739 6 Y N -0.224 120.113 120.300 0.061 0.000 2.128 6 Y HA -0.179 4.381 4.550 0.016 0.000 0.284 6 Y C 2.279 178.217 175.900 0.064 0.000 1.154 6 Y CA 1.593 59.763 58.100 0.117 0.000 1.149 6 Y CB -1.085 37.473 38.460 0.162 0.000 0.976 6 Y HN -0.140 nan 8.280 nan 0.000 0.505 7 L N 0.090 121.242 121.223 -0.119 0.000 2.201 7 L HA -0.217 4.132 4.340 0.016 0.000 0.212 7 L C 2.608 179.371 176.870 -0.177 0.000 1.105 7 L CA 1.369 56.093 54.840 -0.194 0.000 0.775 7 L CB -0.581 41.477 42.059 -0.002 0.000 0.913 7 L HN 0.344 nan 8.230 nan 0.000 0.440 8 Q N -0.089 119.634 119.800 -0.129 0.000 2.084 8 Q HA -0.209 4.140 4.340 0.016 0.000 0.202 8 Q C 2.099 177.985 176.000 -0.190 0.000 0.978 8 Q CA 1.410 57.141 55.803 -0.120 0.000 0.844 8 Q CB 0.161 28.851 28.738 -0.080 0.000 0.898 8 Q HN 0.457 nan 8.270 nan 0.000 0.426 9 E N -0.532 119.485 120.200 -0.306 0.000 2.204 9 E HA -0.127 4.233 4.350 0.016 0.000 0.194 9 E C 2.035 178.419 176.600 -0.360 0.000 0.989 9 E CA 0.944 57.075 56.400 -0.447 0.000 0.824 9 E CB 0.159 29.293 29.700 -0.944 0.000 0.756 9 E HN 0.237 nan 8.360 nan 0.000 0.477 10 V N 1.483 121.191 119.914 -0.344 0.000 2.379 10 V HA -0.157 3.972 4.120 0.016 0.000 0.245 10 V C 2.454 178.468 176.094 -0.132 0.000 1.044 10 V CA 1.592 63.758 62.300 -0.223 0.000 1.036 10 V CB -0.720 30.945 31.823 -0.264 0.000 0.664 10 V HN 0.216 nan 8.190 nan 0.000 0.453 11 A N 1.198 123.943 122.820 -0.125 0.000 2.019 11 A HA -0.226 4.103 4.320 0.016 0.000 0.219 11 A C 2.162 179.709 177.584 -0.062 0.000 1.164 11 A CA 2.035 54.029 52.037 -0.072 0.000 0.644 11 A CB -0.394 18.570 19.000 -0.059 0.000 0.805 11 A HN 0.753 nan 8.150 nan 0.000 0.449 12 K N -1.106 119.242 120.400 -0.085 0.000 2.374 12 K HA 0.193 4.522 4.320 0.016 0.000 0.196 12 K C 0.584 177.141 176.600 -0.071 0.000 1.023 12 K CA -0.349 55.895 56.287 -0.072 0.000 1.103 12 K CB 0.228 32.678 32.500 -0.083 0.000 0.848 12 K HN 0.250 nan 8.250 nan 0.000 0.528 13 R N 1.154 121.613 120.500 -0.070 0.000 2.457 13 R HA 0.353 4.702 4.340 0.016 0.000 0.284 13 R C -0.842 175.433 176.300 -0.041 0.000 1.024 13 R CA -0.596 55.470 56.100 -0.057 0.000 1.025 13 R CB 1.118 31.394 30.300 -0.039 0.000 1.063 13 R HN -0.007 nan 8.270 nan 0.000 0.493 14 R N 0.513 120.986 120.500 -0.046 0.000 2.531 14 R HA 0.224 4.573 4.340 0.016 0.000 0.293 14 R C -1.571 174.739 176.300 0.018 0.000 1.124 14 R CA -0.168 55.917 56.100 -0.024 0.000 0.945 14 R CB 2.107 32.368 30.300 -0.066 0.000 1.195 14 R HN 0.517 nan 8.270 nan 0.000 0.433 15 T N 5.262 119.848 114.554 0.054 0.000 2.758 15 T HA 0.542 4.902 4.350 0.016 0.000 0.285 15 T C -0.972 173.835 174.700 0.177 0.000 0.981 15 T CA -0.376 61.773 62.100 0.082 0.000 0.965 15 T CB 0.265 69.135 68.868 0.003 0.000 0.927 15 T HN 0.443 nan 8.240 nan 0.000 0.448 16 F N 1.228 121.137 119.950 -0.068 0.000 2.643 16 F HA 0.928 5.464 4.527 0.015 0.000 0.314 16 F C -1.084 174.682 175.800 -0.056 0.000 1.096 16 F CA -1.457 56.513 58.000 -0.049 0.000 0.953 16 F CB 1.100 40.087 39.000 -0.021 0.000 1.345 16 F HN 0.616 nan 8.300 nan 0.000 0.468 17 A N 2.137 124.786 122.820 -0.284 0.000 2.515 17 A HA 0.786 5.116 4.320 0.016 0.000 0.296 17 A C -1.417 176.036 177.584 -0.218 0.000 1.094 17 A CA -0.968 50.823 52.037 -0.409 0.000 0.718 17 A CB 1.464 20.324 19.000 -0.233 0.000 1.307 17 A HN 0.818 nan 8.150 nan 0.000 0.408 18 I N 1.719 122.158 120.570 -0.218 0.000 2.396 18 I HA 0.353 4.533 4.170 0.016 0.000 0.292 18 I C -0.273 175.820 176.117 -0.040 0.000 0.999 18 I CA -0.347 60.913 61.300 -0.067 0.000 1.310 18 I CB 1.228 39.180 38.000 -0.081 0.000 1.404 18 I HN 0.594 nan 8.210 nan 0.000 0.496 19 I N 3.575 124.150 120.570 0.008 0.000 2.378 19 I HA 0.745 4.925 4.170 0.016 0.000 0.291 19 I C -0.322 175.805 176.117 0.016 0.000 0.992 19 I CA -0.123 61.182 61.300 0.008 0.000 1.154 19 I CB 1.715 39.726 38.000 0.019 0.000 1.315 19 I HN 0.607 nan 8.210 nan 0.000 0.448 20 S N 3.409 119.109 115.700 -0.001 0.000 2.567 20 S HA 0.355 4.834 4.470 0.016 0.000 0.270 20 S C -1.083 173.518 174.600 0.002 0.000 1.152 20 S CA -0.900 57.309 58.200 0.016 0.000 0.835 20 S CB 1.436 64.642 63.200 0.010 0.000 1.115 20 S HN 0.845 nan 8.310 nan 0.000 0.459 21 H N 1.393 120.440 119.070 -0.038 0.000 2.629 21 H HA 0.366 4.932 4.556 0.016 0.000 0.357 21 H C -2.591 172.711 175.328 -0.044 0.000 1.121 21 H CA -0.881 55.136 56.048 -0.052 0.000 1.406 21 H CB 0.796 30.537 29.762 -0.035 0.000 1.456 21 H HN 0.356 nan 8.280 nan 0.000 0.579 22 P HA -0.040 nan 4.420 nan 0.000 0.264 22 P C -0.224 177.151 177.300 0.125 0.000 1.183 22 P CA 0.550 63.586 63.100 -0.107 0.000 0.763 22 P CB 0.366 31.967 31.700 -0.165 0.000 0.807 23 D N 0.543 121.039 120.400 0.159 0.000 3.006 23 D HA -0.203 4.446 4.640 0.016 0.000 0.205 23 D C 1.010 177.368 176.300 0.096 0.000 1.075 23 D CA 1.543 55.618 54.000 0.124 0.000 1.000 23 D CB -1.614 39.247 40.800 0.102 0.000 1.097 23 D HN 0.466 nan 8.370 nan 0.000 0.426 24 A N 0.166 123.043 122.820 0.095 0.000 1.970 24 A HA 0.465 4.795 4.320 0.016 0.000 0.216 24 A C 1.928 179.548 177.584 0.061 0.000 1.170 24 A CA 2.134 54.215 52.037 0.073 0.000 0.645 24 A CB 0.179 19.227 19.000 0.080 0.000 0.816 24 A HN 1.083 nan 8.150 nan 0.000 0.447 25 G N -0.946 107.885 108.800 0.052 0.000 2.207 25 G HA2 -0.115 3.855 3.960 0.016 0.000 0.193 25 G HA3 -0.115 3.855 3.960 0.016 0.000 0.193 25 G C 0.640 175.547 174.900 0.011 0.000 1.050 25 G CA 0.607 45.731 45.100 0.041 0.000 0.780 25 G HN 0.407 nan 8.290 nan 0.000 0.504 26 K N 0.111 120.509 120.400 -0.004 0.000 2.032 26 K HA -0.105 4.224 4.320 0.016 0.000 0.209 26 K C 2.450 179.023 176.600 -0.045 0.000 1.048 26 K CA 2.311 58.574 56.287 -0.039 0.000 0.927 26 K CB -0.208 32.252 32.500 -0.068 0.000 0.712 26 K HN 0.267 nan 8.250 nan 0.000 0.441 27 T N 0.095 114.638 114.554 -0.019 0.000 2.777 27 T HA -0.091 4.268 4.350 0.016 0.000 0.266 27 T C 1.763 176.451 174.700 -0.020 0.000 1.040 27 T CA 1.777 63.870 62.100 -0.012 0.000 1.141 27 T CB -0.346 68.541 68.868 0.032 0.000 0.868 27 T HN 0.359 nan 8.240 nan 0.000 0.444 28 T N 1.791 116.337 114.554 -0.014 0.000 2.777 28 T HA 0.135 4.495 4.350 0.016 0.000 0.266 28 T C 1.934 176.599 174.700 -0.058 0.000 1.040 28 T CA 0.629 62.714 62.100 -0.025 0.000 1.141 28 T CB -0.266 68.596 68.868 -0.009 0.000 0.868 28 T HN 0.280 nan 8.240 nan 0.000 0.444 29 I N 0.769 121.293 120.570 -0.077 0.000 2.617 29 I HA -0.129 4.051 4.170 0.016 0.000 0.256 29 I C 2.245 178.279 176.117 -0.139 0.000 1.167 29 I CA 0.943 62.157 61.300 -0.143 0.000 1.469 29 I CB -0.072 37.793 38.000 -0.225 0.000 1.098 29 I HN 0.205 nan 8.210 nan 0.000 0.436 30 T N 0.288 114.777 114.554 -0.107 0.000 2.746 30 T HA -0.253 4.106 4.350 0.016 0.000 0.267 30 T C 1.724 176.351 174.700 -0.122 0.000 1.039 30 T CA 1.784 63.818 62.100 -0.110 0.000 1.142 30 T CB -0.207 68.604 68.868 -0.094 0.000 0.866 30 T HN 0.483 nan 8.240 nan 0.000 0.444 31 E N 0.647 120.793 120.200 -0.091 0.000 2.077 31 E HA -0.188 4.172 4.350 0.016 0.000 0.193 31 E C 2.015 178.552 176.600 -0.105 0.000 0.989 31 E CA 0.937 57.290 56.400 -0.079 0.000 0.800 31 E CB 0.106 29.782 29.700 -0.040 0.000 0.746 31 E HN 0.177 nan 8.360 nan 0.000 0.452 32 K N 0.390 120.727 120.400 -0.105 0.000 2.103 32 K HA -0.047 4.282 4.320 0.016 0.000 0.204 32 K C 2.219 178.778 176.600 -0.070 0.000 1.052 32 K CA 0.564 56.792 56.287 -0.097 0.000 0.945 32 K CB -0.561 31.901 32.500 -0.064 0.000 0.722 32 K HN 0.105 nan 8.250 nan 0.000 0.443 33 V N 1.901 121.732 119.914 -0.138 0.000 2.392 33 V HA -0.227 3.903 4.120 0.016 0.000 0.249 33 V C 2.325 178.147 176.094 -0.453 0.000 1.059 33 V CA 1.514 63.659 62.300 -0.259 0.000 1.051 33 V CB -0.336 31.304 31.823 -0.306 0.000 0.658 33 V HN 0.200 nan 8.190 nan 0.000 0.455 34 L N -0.437 120.553 121.223 -0.387 0.000 2.156 34 L HA -0.104 4.246 4.340 0.016 0.000 0.208 34 L C 2.224 178.976 176.870 -0.196 0.000 1.095 34 L CA 0.988 55.608 54.840 -0.367 0.000 0.770 34 L CB -0.452 41.482 42.059 -0.209 0.000 0.914 34 L HN 0.448 nan 8.230 nan 0.000 0.439 35 L N -4.110 117.011 121.223 -0.170 0.000 2.395 35 L HA 0.026 4.375 4.340 0.016 0.000 0.218 35 L C 1.924 178.675 176.870 -0.198 0.000 1.130 35 L CA 1.391 56.130 54.840 -0.169 0.000 0.826 35 L CB -1.242 40.704 42.059 -0.189 0.000 0.941 35 L HN -0.041 nan 8.230 nan 0.000 0.451 36 F N 1.049 120.948 119.950 -0.085 0.000 2.558 36 F HA 0.181 4.716 4.527 0.014 0.000 0.298 36 F C 2.260 178.128 175.800 0.113 0.000 1.119 36 F CA 0.777 58.788 58.000 0.019 0.000 1.451 36 F CB -0.042 38.955 39.000 -0.005 0.000 1.091 36 F HN 0.303 nan 8.300 nan 0.000 0.563 37 G N -1.089 107.811 108.800 0.167 0.000 3.088 37 G HA2 0.242 4.211 3.960 0.016 0.000 0.217 37 G HA3 0.242 4.211 3.960 0.016 0.000 0.217 37 G C -0.111 174.884 174.900 0.158 0.000 1.159 37 G CA -0.036 45.213 45.100 0.248 0.000 0.760 37 G HN 0.283 nan 8.290 nan 0.000 0.550 71 T N 0.197 114.887 114.554 0.226 0.000 2.978 71 T HA -0.034 4.325 4.350 0.016 0.000 0.262 71 T C 1.422 176.209 174.700 0.145 0.000 1.063 71 T CA 2.511 64.776 62.100 0.275 0.000 1.140 71 T CB -0.281 68.708 68.868 0.202 0.000 0.886 71 T HN 0.811 nan 8.240 nan 0.000 0.470 72 T N 1.855 116.454 114.554 0.076 0.000 2.778 72 T HA -0.134 4.226 4.350 0.016 0.000 0.269 72 T C 2.187 176.843 174.700 -0.072 0.000 1.050 72 T CA 1.573 63.676 62.100 0.005 0.000 1.137 72 T CB -0.549 68.320 68.868 0.003 0.000 0.860 72 T HN 0.449 nan 8.240 nan 0.000 0.468 73 S N 0.162 115.810 115.700 -0.086 0.000 2.380 73 S HA -0.082 4.398 4.470 0.016 0.000 0.229 73 S C 0.907 175.276 174.600 -0.386 0.000 1.050 73 S CA 1.343 59.381 58.200 -0.269 0.000 1.100 73 S CB -0.336 62.685 63.200 -0.299 0.000 0.984 73 S HN 0.518 nan 8.310 nan 0.000 0.434 74 V N 2.593 122.217 119.914 -0.485 0.000 2.777 74 V HA 0.627 4.757 4.120 0.016 0.000 0.306 74 V C -1.561 174.355 176.094 -0.297 0.000 1.112 74 V CA -1.167 60.831 62.300 -0.504 0.000 0.917 74 V CB 1.899 33.280 31.823 -0.737 0.000 1.018 74 V HN 0.444 nan 8.190 nan 0.000 0.426 75 M N 4.416 123.962 119.600 -0.090 0.000 2.259 75 M HA 0.626 5.115 4.480 0.016 0.000 0.304 75 M C -1.104 175.305 176.300 0.182 0.000 1.019 75 M CA -0.515 54.839 55.300 0.090 0.000 0.922 75 M CB 1.798 34.459 32.600 0.101 0.000 1.600 75 M HN 0.772 nan 8.290 nan 0.000 0.433 76 Q N 4.219 124.144 119.800 0.208 0.000 2.293 76 Q HA 0.758 5.108 4.340 0.016 0.000 0.261 76 Q C -1.995 174.150 176.000 0.241 0.000 0.960 76 Q CA -0.568 55.323 55.803 0.146 0.000 0.882 76 Q CB 1.645 30.456 28.738 0.122 0.000 1.275 76 Q HN 0.762 nan 8.270 nan 0.000 0.445 77 F N 1.220 121.224 119.950 0.090 0.000 2.613 77 F HA 0.772 5.309 4.527 0.017 0.000 0.310 77 F C -2.901 172.959 175.800 0.100 0.000 1.085 77 F CA -2.935 55.121 58.000 0.092 0.000 0.945 77 F CB 0.942 39.997 39.000 0.092 0.000 1.298 77 F HN 0.339 nan 8.300 nan 0.000 0.455 78 P HA 0.268 nan 4.420 nan 0.000 0.285 78 P C -1.845 175.663 177.300 0.348 0.000 1.259 78 P CA -0.047 63.158 63.100 0.174 0.000 0.794 78 P CB 0.768 32.552 31.700 0.140 0.000 0.940 79 Y N 3.374 123.714 120.300 0.065 0.000 2.332 79 Y HA 0.281 4.840 4.550 0.016 0.000 0.325 79 Y C 0.869 176.786 175.900 0.028 0.000 1.054 79 Y CA 0.147 58.276 58.100 0.049 0.000 1.119 79 Y CB 0.691 39.147 38.460 -0.007 0.000 1.168 79 Y HN 0.699 nan 8.280 nan 0.000 0.439 80 H N 1.330 120.101 119.070 -0.500 0.000 1.452 80 H HA -0.293 4.273 4.556 0.016 0.000 0.090 80 H C 0.156 175.390 175.328 -0.157 0.000 0.648 80 H CA 1.180 57.014 56.048 -0.357 0.000 1.901 80 H CB -0.565 28.963 29.762 -0.389 0.000 2.257 80 H HN 0.770 nan 8.280 nan 0.000 0.961 81 D N 2.103 122.528 120.400 0.042 0.000 2.427 81 D HA 0.219 4.869 4.640 0.016 0.000 0.224 81 D C -0.185 176.109 176.300 -0.010 0.000 1.157 81 D CA 0.226 54.224 54.000 -0.004 0.000 0.828 81 D CB -0.142 40.646 40.800 -0.022 0.000 0.974 81 D HN 0.182 nan 8.370 nan 0.000 0.498 82 C N 0.116 119.416 119.300 -0.000 0.000 2.848 82 C HA 0.642 5.111 4.460 0.016 0.000 0.317 82 C C -0.728 174.234 174.990 -0.046 0.000 1.260 82 C CA -0.861 58.140 59.018 -0.027 0.000 1.656 82 C CB 1.697 29.421 27.740 -0.026 0.000 2.174 82 C HN 0.370 nan 8.230 nan 0.000 0.479 83 L N 2.308 123.480 121.223 -0.085 0.000 2.342 83 L HA 0.692 5.042 4.340 0.016 0.000 0.276 83 L C -0.744 176.009 176.870 -0.195 0.000 0.997 83 L CA 0.095 54.863 54.840 -0.120 0.000 0.838 83 L CB 1.282 43.296 42.059 -0.075 0.000 1.224 83 L HN 0.515 nan 8.230 nan 0.000 0.416 84 V N 4.683 124.355 119.914 -0.404 0.000 2.398 84 V HA 0.455 4.585 4.120 0.016 0.000 0.286 84 V C -0.175 175.669 176.094 -0.417 0.000 1.026 84 V CA -0.674 61.328 62.300 -0.497 0.000 0.868 84 V CB 1.709 32.980 31.823 -0.920 0.000 0.982 84 V HN 0.755 nan 8.190 nan 0.000 0.443 85 N N 3.793 122.417 118.700 -0.127 0.000 2.424 85 N HA 0.589 5.339 4.740 0.016 0.000 0.271 85 N C -1.121 174.378 175.510 -0.018 0.000 0.985 85 N CA -0.541 52.479 53.050 -0.050 0.000 0.921 85 N CB 1.762 40.234 38.487 -0.024 0.000 1.149 85 N HN 0.518 nan 8.380 nan 0.000 0.492 86 L N 4.156 125.346 121.223 -0.056 0.000 2.319 86 L HA 0.472 4.822 4.340 0.016 0.000 0.281 86 L C -1.422 175.281 176.870 -0.277 0.000 1.005 86 L CA -0.561 54.114 54.840 -0.275 0.000 0.828 86 L CB 0.824 42.800 42.059 -0.139 0.000 1.227 86 L HN 0.417 nan 8.230 nan 0.000 0.415 87 L N 3.822 124.839 121.223 -0.344 0.000 2.275 87 L HA 0.333 4.682 4.340 0.016 0.000 0.288 87 L C -0.117 176.585 176.870 -0.280 0.000 1.046 87 L CA -0.562 54.106 54.840 -0.288 0.000 0.805 87 L CB 1.292 43.202 42.059 -0.249 0.000 1.193 87 L HN 0.615 nan 8.230 nan 0.000 0.426 88 D N 2.119 122.369 120.400 -0.251 0.000 2.424 88 D HA 0.112 4.761 4.640 0.016 0.000 0.244 88 D C 0.075 176.268 176.300 -0.179 0.000 1.134 88 D CA 0.194 54.070 54.000 -0.208 0.000 0.881 88 D CB 1.026 41.714 40.800 -0.188 0.000 1.191 88 D HN 0.573 nan 8.370 nan 0.000 0.445 89 T N 1.380 115.846 114.554 -0.146 0.000 3.332 89 T HA 0.447 4.807 4.350 0.016 0.000 0.385 89 T C -2.526 172.123 174.700 -0.085 0.000 1.695 89 T CA -1.946 60.095 62.100 -0.097 0.000 1.397 89 T CB 0.825 69.652 68.868 -0.069 0.000 1.100 89 T HN 0.133 nan 8.240 nan 0.000 0.669 90 P HA 0.203 nan 4.420 nan 0.000 0.258 90 P C 1.010 178.301 177.300 -0.014 0.000 1.172 90 P CA 0.348 63.399 63.100 -0.081 0.000 0.762 90 P CB 0.365 32.024 31.700 -0.069 0.000 0.764 91 G N 1.657 110.359 108.800 -0.162 0.000 3.104 91 G HA2 0.003 3.972 3.960 0.016 0.000 0.237 91 G HA3 0.003 3.972 3.960 0.016 0.000 0.237 91 G C 0.511 175.279 174.900 -0.222 0.000 1.035 91 G CA 0.174 45.149 45.100 -0.207 0.000 0.844 91 G HN 0.450 nan 8.290 nan 0.000 0.531 92 H N 1.267 120.329 119.070 -0.014 0.000 3.483 92 H HA 0.219 4.784 4.556 0.016 0.000 0.110 92 H C 1.782 177.123 175.328 0.021 0.000 1.563 92 H CA 0.486 56.520 56.048 -0.024 0.000 1.592 92 H CB -0.219 29.530 29.762 -0.022 0.000 0.828 92 H HN 0.062 nan 8.280 nan 0.000 0.727 93 E N 0.598 120.905 120.200 0.179 0.000 2.268 93 E HA -0.094 4.266 4.350 0.016 0.000 0.195 93 E C 1.324 177.977 176.600 0.087 0.000 0.995 93 E CA 0.916 57.379 56.400 0.105 0.000 0.836 93 E CB -0.096 29.647 29.700 0.071 0.000 0.763 93 E HN 0.372 nan 8.360 nan 0.000 0.491 94 D N -0.206 120.245 120.400 0.085 0.000 2.269 94 D HA -0.061 4.589 4.640 0.016 0.000 0.208 94 D C -0.047 176.264 176.300 0.019 0.000 0.963 94 D CA 0.139 54.159 54.000 0.034 0.000 0.864 94 D CB -0.220 40.589 40.800 0.016 0.000 0.936 94 D HN 0.084 nan 8.370 nan 0.000 0.505 95 F N 1.542 121.431 119.950 -0.101 0.000 2.623 95 F HA 0.053 4.590 4.527 0.017 0.000 0.381 95 F C 0.752 176.441 175.800 -0.186 0.000 1.081 95 F CA -0.076 57.829 58.000 -0.157 0.000 1.293 95 F CB 0.299 39.207 39.000 -0.152 0.000 1.006 95 F HN -0.105 nan 8.300 nan 0.000 0.578 96 S N 3.047 118.133 115.700 -1.023 0.000 2.643 96 S HA 0.236 4.716 4.470 0.016 0.000 0.270 96 S C 0.492 174.472 174.600 -1.033 0.000 1.166 96 S CA -0.330 57.340 58.200 -0.884 0.000 0.815 96 S CB 1.138 64.074 63.200 -0.440 0.000 1.139 96 S HN 0.756 nan 8.310 nan 0.000 0.472 97 E N 0.338 120.119 120.200 -0.699 0.000 2.160 97 E HA -0.213 4.147 4.350 0.016 0.000 0.195 97 E C 0.676 177.073 176.600 -0.340 0.000 0.991 97 E CA 1.889 57.970 56.400 -0.531 0.000 0.810 97 E CB -0.303 29.268 29.700 -0.215 0.000 0.742 97 E HN 0.621 nan 8.360 nan 0.000 0.466 98 D N -0.343 119.899 120.400 -0.264 0.000 2.218 98 D HA -0.110 4.540 4.640 0.016 0.000 0.204 98 D C 1.701 177.935 176.300 -0.109 0.000 0.976 98 D CA 1.332 55.259 54.000 -0.121 0.000 0.853 98 D CB -0.327 40.406 40.800 -0.111 0.000 0.939 98 D HN 0.202 nan 8.370 nan 0.000 0.481 99 T N 0.274 114.682 114.554 -0.244 0.000 2.720 99 T HA -0.192 4.167 4.350 0.016 0.000 0.268 99 T C 1.611 176.320 174.700 0.015 0.000 1.037 99 T CA 0.946 62.968 62.100 -0.131 0.000 1.144 99 T CB -0.333 68.447 68.868 -0.146 0.000 0.864 99 T HN 0.163 nan 8.240 nan 0.000 0.444 100 Y N 1.651 121.811 120.300 -0.233 0.000 2.181 100 Y HA 0.034 4.594 4.550 0.016 0.000 0.288 100 Y C 2.554 178.368 175.900 -0.143 0.000 1.146 100 Y CA 0.291 58.175 58.100 -0.360 0.000 1.164 100 Y CB -0.675 37.193 38.460 -0.988 0.000 0.982 100 Y HN 0.173 nan 8.280 nan 0.000 0.515 101 R N -0.856 119.751 120.500 0.179 0.000 2.148 101 R HA -0.094 4.256 4.340 0.016 0.000 0.227 101 R C 2.025 178.451 176.300 0.209 0.000 1.103 101 R CA 1.450 57.728 56.100 0.297 0.000 0.983 101 R CB -0.643 29.839 30.300 0.304 0.000 0.874 101 R HN 0.243 nan 8.270 nan 0.000 0.451 102 T N 1.797 116.442 114.554 0.152 0.000 2.803 102 T HA -0.094 4.266 4.350 0.016 0.000 0.269 102 T C 1.758 176.356 174.700 -0.170 0.000 1.052 102 T CA 1.005 63.109 62.100 0.007 0.000 1.136 102 T CB -0.077 68.809 68.868 0.030 0.000 0.864 102 T HN 0.189 nan 8.240 nan 0.000 0.467 103 L N 0.639 121.832 121.223 -0.049 0.000 2.376 103 L HA -0.024 4.325 4.340 0.016 0.000 0.219 103 L C 2.696 179.538 176.870 -0.048 0.000 1.133 103 L CA 0.808 55.617 54.840 -0.052 0.000 0.816 103 L CB -0.820 41.234 42.059 -0.008 0.000 0.933 103 L HN 0.235 nan 8.230 nan 0.000 0.449 104 T N 0.005 114.549 114.554 -0.016 0.000 2.915 104 T HA -0.070 4.289 4.350 0.016 0.000 0.269 104 T C 1.755 176.429 174.700 -0.044 0.000 1.071 104 T CA 1.217 63.315 62.100 -0.005 0.000 1.132 104 T CB -0.021 68.879 68.868 0.054 0.000 0.878 104 T HN 0.430 nan 8.240 nan 0.000 0.479 105 A N 1.120 123.801 122.820 -0.232 0.000 2.275 105 A HA 0.450 4.780 4.320 0.016 0.000 0.212 105 A C 0.997 178.407 177.584 -0.289 0.000 1.201 105 A CA -0.281 51.530 52.037 -0.377 0.000 0.843 105 A CB -0.213 17.991 19.000 -1.327 0.000 0.873 105 A HN 0.399 nan 8.150 nan 0.000 0.492 106 V N -3.863 115.940 119.914 -0.185 0.000 2.881 106 V HA 0.576 4.706 4.120 0.016 0.000 0.316 106 V C -0.236 175.831 176.094 -0.044 0.000 1.070 106 V CA -0.678 61.557 62.300 -0.108 0.000 0.976 106 V CB 1.703 33.472 31.823 -0.089 0.000 1.038 106 V HN 0.121 nan 8.190 nan 0.000 0.446 107 D N 0.359 120.755 120.400 -0.007 0.000 2.369 107 D HA 0.289 4.939 4.640 0.016 0.000 0.211 107 D C 0.018 176.329 176.300 0.019 0.000 1.077 107 D CA 0.601 54.603 54.000 0.003 0.000 0.842 107 D CB 0.753 41.559 40.800 0.010 0.000 0.947 107 D HN 0.704 nan 8.370 nan 0.000 0.509 108 C N 0.256 119.595 119.300 0.065 0.000 3.171 108 C HA 0.569 5.039 4.460 0.016 0.000 0.336 108 C C -1.264 173.832 174.990 0.175 0.000 1.198 108 C CA -0.646 58.437 59.018 0.109 0.000 1.319 108 C CB 0.356 28.186 27.740 0.151 0.000 1.682 108 C HN 0.280 nan 8.230 nan 0.000 0.497 109 C N 3.567 122.969 119.300 0.169 0.000 2.707 109 C HA 0.769 5.239 4.460 0.016 0.000 0.313 109 C C -0.634 174.507 174.990 0.251 0.000 1.209 109 C CA -0.597 58.542 59.018 0.202 0.000 1.635 109 C CB 1.327 29.128 27.740 0.101 0.000 2.206 109 C HN 0.907 nan 8.230 nan 0.000 0.485 110 L N 3.270 124.672 121.223 0.297 0.000 2.276 110 L HA 0.591 4.941 4.340 0.016 0.000 0.286 110 L C -0.249 176.717 176.870 0.160 0.000 1.024 110 L CA -0.212 54.771 54.840 0.238 0.000 0.826 110 L CB 0.769 43.002 42.059 0.289 0.000 1.211 110 L HN 0.829 nan 8.230 nan 0.000 0.422 111 M N 5.866 125.552 119.600 0.143 0.000 2.105 111 M HA 0.421 4.910 4.480 0.016 0.000 0.350 111 M C -1.368 175.003 176.300 0.118 0.000 1.308 111 M CA -0.297 55.066 55.300 0.105 0.000 1.108 111 M CB 0.615 33.268 32.600 0.089 0.000 1.622 111 M HN 0.455 nan 8.290 nan 0.000 0.468 112 V N 7.558 127.532 119.914 0.101 0.000 2.370 112 V HA 0.458 4.587 4.120 0.016 0.000 0.283 112 V C -0.141 176.001 176.094 0.080 0.000 1.023 112 V CA -0.472 61.904 62.300 0.126 0.000 0.857 112 V CB 1.276 33.166 31.823 0.111 0.000 0.985 112 V HN 0.780 nan 8.190 nan 0.000 0.443 113 I N 3.390 123.991 120.570 0.051 0.000 2.474 113 I HA 0.364 4.544 4.170 0.016 0.000 0.294 113 I C -0.195 175.912 176.117 -0.017 0.000 1.005 113 I CA -0.579 60.723 61.300 0.003 0.000 1.113 113 I CB 2.024 40.000 38.000 -0.039 0.000 1.289 113 I HN 0.494 nan 8.210 nan 0.000 0.436 114 D N 4.951 125.344 120.400 -0.012 0.000 2.338 114 D HA 0.172 4.822 4.640 0.016 0.000 0.255 114 D C 0.793 177.059 176.300 -0.057 0.000 1.237 114 D CA 0.096 54.080 54.000 -0.026 0.000 0.883 114 D CB 1.699 42.492 40.800 -0.012 0.000 1.087 114 D HN 0.672 nan 8.370 nan 0.000 0.485 115 A N 3.680 126.450 122.820 -0.083 0.000 2.168 115 A HA 0.060 4.390 4.320 0.016 0.000 0.215 115 A C 1.901 179.446 177.584 -0.063 0.000 1.152 115 A CA 1.312 53.296 52.037 -0.088 0.000 0.716 115 A CB -0.033 18.900 19.000 -0.113 0.000 0.794 115 A HN 0.599 nan 8.150 nan 0.000 0.465 116 A N -0.429 122.356 122.820 -0.058 0.000 1.975 116 A HA 0.082 4.412 4.320 0.016 0.000 0.215 116 A C 1.989 179.549 177.584 -0.041 0.000 1.170 116 A CA 1.480 53.489 52.037 -0.046 0.000 0.656 116 A CB -0.089 18.886 19.000 -0.041 0.000 0.821 116 A HN 0.421 nan 8.150 nan 0.000 0.449 117 K N -1.476 118.896 120.400 -0.047 0.000 2.334 117 K HA 0.361 4.691 4.320 0.016 0.000 0.195 117 K C 1.119 177.682 176.600 -0.060 0.000 1.045 117 K CA 0.600 56.853 56.287 -0.057 0.000 1.004 117 K CB 0.243 32.699 32.500 -0.073 0.000 0.837 117 K HN 0.607 nan 8.250 nan 0.000 0.510 118 G N 0.665 109.433 108.800 -0.053 0.000 2.598 118 G HA2 -0.279 3.691 3.960 0.016 0.000 0.244 118 G HA3 -0.279 3.691 3.960 0.016 0.000 0.244 118 G C -0.485 174.384 174.900 -0.051 0.000 1.302 118 G CA -0.458 44.614 45.100 -0.046 0.000 0.903 118 G HN -0.011 nan 8.290 nan 0.000 0.575 119 V N 1.875 121.766 119.914 -0.038 0.000 2.479 119 V HA 0.384 4.513 4.120 0.016 0.000 0.281 119 V C 0.817 176.875 176.094 -0.060 0.000 1.031 119 V CA 0.895 63.175 62.300 -0.033 0.000 1.038 119 V CB 0.735 32.550 31.823 -0.013 0.000 0.981 119 V HN 0.680 nan 8.190 nan 0.000 0.478 120 E N 2.422 122.574 120.200 -0.080 0.000 2.303 120 E HA 0.239 4.599 4.350 0.016 0.000 0.254 120 E C 0.526 177.103 176.600 -0.038 0.000 0.979 120 E CA -0.647 55.648 56.400 -0.175 0.000 0.843 120 E CB 1.266 30.655 29.700 -0.518 0.000 1.245 120 E HN 0.706 nan 8.360 nan 0.000 0.413 121 D N 0.379 120.776 120.400 -0.006 0.000 2.087 121 D HA -0.178 4.472 4.640 0.016 0.000 0.192 121 D C 1.683 178.066 176.300 0.137 0.000 0.993 121 D CA 1.598 55.654 54.000 0.094 0.000 0.828 121 D CB 0.278 41.146 40.800 0.114 0.000 0.968 121 D HN 0.190 nan 8.370 nan 0.000 0.448 122 R N -0.517 120.132 120.500 0.249 0.000 2.148 122 R HA -0.061 4.288 4.340 0.016 0.000 0.227 122 R C 2.197 178.537 176.300 0.067 0.000 1.103 122 R CA 1.397 57.543 56.100 0.076 0.000 0.983 122 R CB -0.429 29.794 30.300 -0.129 0.000 0.874 122 R HN 0.358 nan 8.270 nan 0.000 0.451 123 T N 0.589 115.206 114.554 0.105 0.000 2.652 123 T HA -0.162 4.198 4.350 0.016 0.000 0.267 123 T C 1.828 176.547 174.700 0.031 0.000 1.039 123 T CA 1.273 63.407 62.100 0.057 0.000 1.153 123 T CB -0.175 68.723 68.868 0.050 0.000 0.863 123 T HN 0.338 nan 8.240 nan 0.000 0.428 124 R N 0.891 121.410 120.500 0.032 0.000 2.096 124 R HA 0.013 4.362 4.340 0.016 0.000 0.235 124 R C 2.600 178.901 176.300 0.002 0.000 1.127 124 R CA 1.129 57.239 56.100 0.018 0.000 0.968 124 R CB -0.157 30.156 30.300 0.022 0.000 0.861 124 R HN 0.364 nan 8.270 nan 0.000 0.440 125 K N 0.501 120.904 120.400 0.004 0.000 2.097 125 K HA -0.051 4.278 4.320 0.016 0.000 0.205 125 K C 2.003 178.506 176.600 -0.162 0.000 1.050 125 K CA 0.996 57.257 56.287 -0.043 0.000 0.938 125 K CB 0.042 32.562 32.500 0.034 0.000 0.718 125 K HN 0.117 nan 8.250 nan 0.000 0.442 126 L N 0.082 121.246 121.223 -0.097 0.000 2.179 126 L HA -0.071 4.279 4.340 0.016 0.000 0.208 126 L C 2.435 179.254 176.870 -0.086 0.000 1.096 126 L CA 0.455 55.223 54.840 -0.120 0.000 0.779 126 L CB -0.214 41.831 42.059 -0.022 0.000 0.922 126 L HN 0.218 nan 8.230 nan 0.000 0.443 127 M N -0.236 119.340 119.600 -0.041 0.000 2.175 127 M HA -0.207 4.283 4.480 0.016 0.000 0.264 127 M C 2.137 178.422 176.300 -0.025 0.000 1.063 127 M CA 1.532 56.822 55.300 -0.018 0.000 1.119 127 M CB -0.655 31.947 32.600 0.002 0.000 1.377 127 M HN 0.295 nan 8.290 nan 0.000 0.415 128 E N -0.262 119.914 120.200 -0.040 0.000 2.070 128 E HA -0.187 4.172 4.350 0.016 0.000 0.197 128 E C 1.913 178.505 176.600 -0.013 0.000 1.004 128 E CA 1.591 57.977 56.400 -0.023 0.000 0.805 128 E CB 0.157 29.838 29.700 -0.031 0.000 0.744 128 E HN 0.255 nan 8.360 nan 0.000 0.451 129 V N 0.251 120.116 119.914 -0.082 0.000 2.343 129 V HA -0.240 3.890 4.120 0.016 0.000 0.247 129 V C 2.434 178.551 176.094 0.040 0.000 1.051 129 V CA 2.092 64.383 62.300 -0.016 0.000 1.036 129 V CB -0.658 31.015 31.823 -0.249 0.000 0.654 129 V HN 0.357 nan 8.190 nan 0.000 0.451 130 T N -0.531 114.020 114.554 -0.006 0.000 2.833 130 T HA -0.170 4.190 4.350 0.016 0.000 0.269 130 T C 1.955 176.657 174.700 0.004 0.000 1.054 130 T CA 1.238 63.339 62.100 0.001 0.000 1.135 130 T CB -0.227 68.637 68.868 -0.006 0.000 0.869 130 T HN 0.429 nan 8.240 nan 0.000 0.466 131 R N 0.412 120.917 120.500 0.008 0.000 2.280 131 R HA 0.131 4.480 4.340 0.016 0.000 0.207 131 R C 2.234 178.539 176.300 0.007 0.000 1.043 131 R CA 0.388 56.491 56.100 0.005 0.000 1.006 131 R CB -0.344 29.962 30.300 0.010 0.000 0.885 131 R HN 0.409 nan 8.270 nan 0.000 0.467 132 L N 0.370 121.606 121.223 0.021 0.000 2.081 132 L HA -0.216 4.133 4.340 0.016 0.000 0.212 132 L C 1.737 178.599 176.870 -0.014 0.000 1.080 132 L CA 1.724 56.568 54.840 0.007 0.000 0.754 132 L CB -0.140 41.932 42.059 0.021 0.000 0.893 132 L HN 0.189 nan 8.230 nan 0.000 0.433 133 R N -1.411 119.081 120.500 -0.013 0.000 2.508 133 R HA 0.104 4.454 4.340 0.016 0.000 0.300 133 R C -0.452 175.827 176.300 -0.034 0.000 0.970 133 R CA -0.215 55.869 56.100 -0.026 0.000 1.102 133 R CB 0.469 30.752 30.300 -0.028 0.000 1.246 133 R HN 0.074 nan 8.270 nan 0.000 0.539 134 D N 2.032 122.413 120.400 -0.031 0.000 2.686 134 D HA -0.131 4.518 4.640 0.016 0.000 0.235 134 D C -0.638 175.619 176.300 -0.071 0.000 1.160 134 D CA 1.377 55.350 54.000 -0.045 0.000 0.645 134 D CB -1.228 39.543 40.800 -0.048 0.000 1.039 134 D HN 0.173 nan 8.370 nan 0.000 0.423 135 T N 1.514 116.032 114.554 -0.059 0.000 2.905 135 T HA 0.181 4.541 4.350 0.016 0.000 0.299 135 T C -1.922 172.705 174.700 -0.122 0.000 1.024 135 T CA -0.587 61.468 62.100 -0.075 0.000 1.151 135 T CB 0.736 69.582 68.868 -0.037 0.000 0.987 135 T HN 0.055 nan 8.240 nan 0.000 0.535 136 P HA 0.288 nan 4.420 nan 0.000 0.268 136 P C -0.633 176.594 177.300 -0.122 0.000 1.204 136 P CA -0.246 62.599 63.100 -0.425 0.000 0.768 136 P CB 0.325 31.439 31.700 -0.978 0.000 0.842 137 I N 3.121 123.715 120.570 0.040 0.000 2.474 137 I HA 0.318 4.497 4.170 0.016 0.000 0.294 137 I C -0.018 176.357 176.117 0.430 0.000 1.005 137 I CA -0.432 60.993 61.300 0.209 0.000 1.113 137 I CB 1.302 39.382 38.000 0.133 0.000 1.289 137 I HN 0.093 nan 8.210 nan 0.000 0.436 138 L N 5.177 126.617 121.223 0.362 0.000 2.334 138 L HA 0.654 5.003 4.340 0.016 0.000 0.276 138 L C -0.408 176.620 176.870 0.264 0.000 1.014 138 L CA -0.542 54.504 54.840 0.343 0.000 0.815 138 L CB 1.824 44.051 42.059 0.279 0.000 1.268 138 L HN 0.508 nan 8.230 nan 0.000 0.428 139 T N 1.907 116.623 114.554 0.270 0.000 2.829 139 T HA 0.477 4.837 4.350 0.016 0.000 0.280 139 T C -1.025 173.830 174.700 0.257 0.000 0.999 139 T CA -0.291 61.923 62.100 0.189 0.000 0.983 139 T CB 1.507 70.425 68.868 0.084 0.000 0.968 139 T HN 0.284 nan 8.240 nan 0.000 0.446 140 F N 4.483 124.441 119.950 0.013 0.000 2.513 140 F HA 0.475 5.012 4.527 0.016 0.000 0.358 140 F C -0.465 175.251 175.800 -0.139 0.000 1.118 140 F CA -1.236 56.744 58.000 -0.035 0.000 1.037 140 F CB 0.940 39.922 39.000 -0.030 0.000 1.276 140 F HN 0.320 nan 8.300 nan 0.000 0.446 141 M N 4.705 123.891 119.600 -0.690 0.000 2.220 141 M HA 0.135 4.624 4.480 0.016 0.000 0.343 141 M C -0.212 175.678 176.300 -0.683 0.000 1.470 141 M CA 0.244 55.156 55.300 -0.647 0.000 1.161 141 M CB -0.089 31.950 32.600 -0.935 0.000 1.737 141 M HN 0.584 nan 8.290 nan 0.000 0.464 142 N N 2.907 121.412 118.700 -0.325 0.000 2.477 142 N HA 0.356 5.106 4.740 0.016 0.000 0.284 142 N C -0.452 174.974 175.510 -0.140 0.000 1.182 142 N CA -0.101 52.857 53.050 -0.152 0.000 0.949 142 N CB 1.043 39.610 38.487 0.133 0.000 1.204 142 N HN 0.521 nan 8.380 nan 0.000 0.526 143 K N 0.686 121.022 120.400 -0.107 0.000 3.263 143 K HA -0.105 4.225 4.320 0.016 0.000 0.277 143 K C 0.081 176.549 176.600 -0.221 0.000 1.207 143 K CA 0.047 56.263 56.287 -0.119 0.000 0.818 143 K CB -1.552 30.906 32.500 -0.070 0.000 1.313 143 K HN 0.440 nan 8.250 nan 0.000 0.512 144 L N 0.987 121.976 121.223 -0.391 0.000 2.549 144 L HA -0.109 4.241 4.340 0.016 0.000 0.229 144 L C 1.831 178.335 176.870 -0.609 0.000 1.158 144 L CA 1.606 56.047 54.840 -0.664 0.000 0.842 144 L CB -0.623 40.671 42.059 -1.275 0.000 0.952 144 L HN 0.314 nan 8.230 nan 0.000 0.452 145 D N -0.079 120.117 120.400 -0.341 0.000 2.149 145 D HA -0.128 4.522 4.640 0.016 0.000 0.198 145 D C 1.002 177.271 176.300 -0.051 0.000 0.990 145 D CA 1.004 54.946 54.000 -0.097 0.000 0.839 145 D CB 0.232 41.028 40.800 -0.007 0.000 0.948 145 D HN 0.179 nan 8.370 nan 0.000 0.460 146 R N 1.162 121.611 120.500 -0.084 0.000 2.691 146 R HA 0.250 4.600 4.340 0.016 0.000 0.259 146 R C -0.232 176.028 176.300 -0.066 0.000 1.048 146 R CA -0.854 55.217 56.100 -0.049 0.000 1.086 146 R CB 0.312 30.590 30.300 -0.038 0.000 1.166 146 R HN -0.085 nan 8.270 nan 0.000 0.526 147 D N 1.366 121.743 120.400 -0.039 0.000 2.443 147 D HA 0.155 4.804 4.640 0.016 0.000 0.239 147 D C 0.554 176.822 176.300 -0.053 0.000 1.136 147 D CA 0.367 54.344 54.000 -0.039 0.000 0.879 147 D CB 0.550 41.337 40.800 -0.020 0.000 1.195 147 D HN 0.381 nan 8.370 nan 0.000 0.443 148 I N -2.405 118.130 120.570 -0.059 0.000 3.206 148 I HA 0.521 4.701 4.170 0.016 0.000 0.313 148 I C 0.133 176.225 176.117 -0.041 0.000 1.103 148 I CA -1.335 59.929 61.300 -0.060 0.000 0.985 148 I CB 1.750 39.701 38.000 -0.081 0.000 1.240 148 I HN -0.041 nan 8.210 nan 0.000 0.464 149 R N 0.949 121.429 120.500 -0.034 0.000 2.774 149 R HA 0.074 4.423 4.340 0.016 0.000 0.269 149 R C -0.535 175.754 176.300 -0.018 0.000 1.068 149 R CA -0.413 55.675 56.100 -0.020 0.000 1.180 149 R CB 0.127 30.419 30.300 -0.013 0.000 1.077 149 R HN 0.674 nan 8.270 nan 0.000 0.513 150 D N 2.233 122.632 120.400 -0.003 0.000 2.581 150 D HA -0.045 4.605 4.640 0.016 0.000 0.238 150 D C -1.360 174.947 176.300 0.012 0.000 1.145 150 D CA -1.200 52.805 54.000 0.008 0.000 0.866 150 D CB 0.846 41.666 40.800 0.034 0.000 1.151 150 D HN 0.188 nan 8.370 nan 0.000 0.500 151 P HA -0.201 nan 4.420 nan 0.000 0.218 151 P C 1.424 178.802 177.300 0.129 0.000 1.148 151 P CA 0.870 63.913 63.100 -0.094 0.000 0.822 151 P CB 0.092 31.378 31.700 -0.690 0.000 0.784 152 M N 0.019 119.765 119.600 0.243 0.000 2.229 152 M HA -0.110 4.380 4.480 0.016 0.000 0.264 152 M C 2.116 178.519 176.300 0.171 0.000 1.063 152 M CA 1.631 57.109 55.300 0.296 0.000 1.114 152 M CB -0.932 31.811 32.600 0.239 0.000 1.387 152 M HN -0.131 nan 8.290 nan 0.000 0.420 153 E N -0.447 119.821 120.200 0.113 0.000 2.107 153 E HA -0.149 4.211 4.350 0.016 0.000 0.191 153 E C 1.846 178.486 176.600 0.067 0.000 0.982 153 E CA 0.983 57.428 56.400 0.074 0.000 0.809 153 E CB -0.149 29.579 29.700 0.047 0.000 0.756 153 E HN 0.532 nan 8.360 nan 0.000 0.459 154 L N 0.253 121.519 121.223 0.071 0.000 2.083 154 L HA -0.205 4.145 4.340 0.016 0.000 0.209 154 L C 2.289 179.198 176.870 0.066 0.000 1.083 154 L CA 0.448 55.318 54.840 0.050 0.000 0.752 154 L CB -0.378 41.706 42.059 0.041 0.000 0.899 154 L HN 0.253 nan 8.230 nan 0.000 0.433 155 L N -0.166 121.133 121.223 0.127 0.000 1.994 155 L HA -0.242 4.107 4.340 0.016 0.000 0.208 155 L C 2.109 179.032 176.870 0.090 0.000 1.071 155 L CA 1.811 56.731 54.840 0.134 0.000 0.745 155 L CB -0.930 41.259 42.059 0.217 0.000 0.892 155 L HN 0.176 nan 8.230 nan 0.000 0.431 156 D N -0.718 119.734 120.400 0.086 0.000 2.149 156 D HA -0.228 4.422 4.640 0.016 0.000 0.194 156 D C 2.215 178.540 176.300 0.042 0.000 1.001 156 D CA 1.422 55.457 54.000 0.059 0.000 0.849 156 D CB 0.072 40.904 40.800 0.054 0.000 0.939 156 D HN 0.379 nan 8.370 nan 0.000 0.449 157 E N -0.480 119.742 120.200 0.036 0.000 2.051 157 E HA -0.154 4.206 4.350 0.016 0.000 0.192 157 E C 2.210 178.822 176.600 0.021 0.000 0.991 157 E CA 0.753 57.166 56.400 0.022 0.000 0.799 157 E CB 0.092 29.799 29.700 0.012 0.000 0.748 157 E HN 0.099 nan 8.360 nan 0.000 0.449 158 V N 1.581 121.510 119.914 0.025 0.000 2.287 158 V HA -0.290 3.840 4.120 0.016 0.000 0.248 158 V C 2.055 178.167 176.094 0.028 0.000 1.053 158 V CA 2.018 64.333 62.300 0.025 0.000 1.027 158 V CB -0.471 31.370 31.823 0.030 0.000 0.646 158 V HN 0.285 nan 8.190 nan 0.000 0.447 159 E N 0.074 120.294 120.200 0.033 0.000 2.046 159 E HA -0.151 4.208 4.350 0.016 0.000 0.190 159 E C 2.005 178.619 176.600 0.022 0.000 0.982 159 E CA 1.186 57.604 56.400 0.030 0.000 0.800 159 E CB -0.259 29.462 29.700 0.034 0.000 0.756 159 E HN 0.601 nan 8.360 nan 0.000 0.449 160 N N 0.694 119.407 118.700 0.022 0.000 2.409 160 N HA -0.087 4.663 4.740 0.016 0.000 0.179 160 N C 1.412 176.930 175.510 0.014 0.000 1.032 160 N CA 0.818 53.878 53.050 0.017 0.000 0.898 160 N CB 0.175 38.671 38.487 0.016 0.000 0.971 160 N HN 0.292 nan 8.380 nan 0.000 0.441 161 E N -0.011 120.198 120.200 0.014 0.000 2.206 161 E HA 0.192 4.552 4.350 0.016 0.000 0.195 161 E C 1.286 177.894 176.600 0.013 0.000 0.935 161 E CA 0.158 56.565 56.400 0.012 0.000 0.875 161 E CB 0.414 30.119 29.700 0.010 0.000 0.841 161 E HN 0.175 nan 8.360 nan 0.000 0.477 162 L N 0.360 121.592 121.223 0.016 0.000 2.640 162 L HA 0.223 4.573 4.340 0.016 0.000 0.230 162 L C -0.051 176.829 176.870 0.016 0.000 1.123 162 L CA 0.005 54.854 54.840 0.016 0.000 0.900 162 L CB 0.029 42.100 42.059 0.020 0.000 1.146 162 L HN -0.042 nan 8.230 nan 0.000 0.484 163 K N 1.072 121.481 120.400 0.016 0.000 3.096 163 K HA -0.173 4.156 4.320 0.016 0.000 0.266 163 K C -0.357 176.251 176.600 0.013 0.000 1.043 163 K CA 0.640 56.934 56.287 0.013 0.000 0.758 163 K CB -1.561 30.945 32.500 0.010 0.000 1.260 163 K HN 0.350 nan 8.250 nan 0.000 0.481 164 I N -0.565 120.017 120.570 0.020 0.000 2.569 164 I HA 0.377 4.557 4.170 0.016 0.000 0.290 164 I C 0.381 176.517 176.117 0.032 0.000 1.088 164 I CA -0.684 60.631 61.300 0.024 0.000 1.047 164 I CB 1.569 39.588 38.000 0.032 0.000 1.237 164 I HN 0.167 nan 8.210 nan 0.000 0.421 165 G N 5.838 114.654 108.800 0.028 0.000 2.491 165 G HA2 0.299 4.268 3.960 0.016 0.000 0.242 165 G HA3 0.299 4.268 3.960 0.016 0.000 0.242 165 G C -0.592 174.340 174.900 0.053 0.000 1.266 165 G CA -0.133 44.986 45.100 0.033 0.000 0.844 165 G HN 0.674 nan 8.290 nan 0.000 0.571 166 C N 0.818 120.155 119.300 0.062 0.000 2.358 166 C HA 0.788 5.257 4.460 0.016 0.000 0.342 166 C C 0.663 175.707 174.990 0.089 0.000 1.234 166 C CA -0.140 58.927 59.018 0.082 0.000 1.969 166 C CB 0.787 28.586 27.740 0.099 0.000 2.346 166 C HN 0.951 nan 8.230 nan 0.000 0.525 167 A N 4.337 127.216 122.820 0.098 0.000 2.522 167 A HA 0.647 4.977 4.320 0.016 0.000 0.285 167 A C -2.955 174.684 177.584 0.091 0.000 1.198 167 A CA -1.107 50.998 52.037 0.113 0.000 0.742 167 A CB 0.397 19.487 19.000 0.150 0.000 1.176 167 A HN 0.639 nan 8.150 nan 0.000 0.444 168 P HA 0.152 nan 4.420 nan 0.000 0.266 168 P C 0.379 177.734 177.300 0.091 0.000 1.215 168 P CA 0.026 63.249 63.100 0.205 0.000 0.763 168 P CB 0.644 32.574 31.700 0.382 0.000 0.806 169 I N 1.515 121.987 120.570 -0.163 0.000 2.556 169 I HA 0.025 4.205 4.170 0.016 0.000 0.251 169 I C 1.397 177.351 176.117 -0.273 0.000 1.105 169 I CA 1.389 62.496 61.300 -0.320 0.000 1.436 169 I CB -0.866 36.648 38.000 -0.810 0.000 1.139 169 I HN 0.315 nan 8.210 nan 0.000 0.438 170 T N -2.463 112.042 114.554 -0.082 0.000 2.949 170 T HA 0.432 4.791 4.350 0.016 0.000 0.287 170 T C -0.999 173.966 174.700 0.441 0.000 1.034 170 T CA -0.641 61.580 62.100 0.200 0.000 1.018 170 T CB 2.213 71.291 68.868 0.349 0.000 1.135 170 T HN 0.237 nan 8.240 nan 0.000 0.532 171 W N 2.555 123.923 121.300 0.113 0.000 3.211 171 W HA 0.368 5.039 4.660 0.019 0.000 0.335 171 W C -3.064 173.395 176.519 -0.101 0.000 1.113 171 W CA -2.471 54.782 57.345 -0.152 0.000 1.235 171 W CB 2.335 31.774 29.460 -0.036 0.000 1.365 171 W HN 0.567 nan 8.180 nan 0.000 0.476 172 P HA 0.252 nan 4.420 nan 0.000 0.275 172 P C -0.501 176.771 177.300 -0.046 0.000 1.228 172 P CA 0.182 63.166 63.100 -0.194 0.000 0.786 172 P CB 1.679 33.148 31.700 -0.385 0.000 0.927 173 I N 1.715 122.355 120.570 0.117 0.000 2.428 173 I HA 0.419 4.598 4.170 0.016 0.000 0.279 173 I C 0.902 177.069 176.117 0.084 0.000 1.040 173 I CA -0.090 61.257 61.300 0.077 0.000 1.171 173 I CB 0.425 38.455 38.000 0.051 0.000 1.312 173 I HN 0.640 nan 8.210 nan 0.000 0.470 174 G N 4.871 113.720 108.800 0.081 0.000 2.860 174 G HA2 -0.152 3.818 3.960 0.016 0.000 0.553 174 G HA3 -0.152 3.818 3.960 0.016 0.000 0.553 174 G C -0.475 174.535 174.900 0.183 0.000 1.439 174 G CA -0.385 44.776 45.100 0.102 0.000 0.879 174 G HN 1.049 nan 8.290 nan 0.000 0.545 175 C N -1.361 118.015 119.300 0.126 0.000 3.332 175 C HA 1.137 5.607 4.460 0.016 0.000 0.329 175 C C 1.548 176.583 174.990 0.075 0.000 1.434 175 C CA 0.763 59.832 59.018 0.084 0.000 1.314 175 C CB 1.235 28.947 27.740 -0.046 0.000 1.664 175 C HN 3.253 nan 8.230 nan 0.000 0.457 176 G N 1.537 110.353 108.800 0.027 0.000 2.531 176 G HA2 -0.187 3.783 3.960 0.016 0.000 0.274 176 G HA3 -0.187 3.783 3.960 0.016 0.000 0.274 176 G C 0.559 175.516 174.900 0.095 0.000 1.159 176 G CA 0.501 45.623 45.100 0.037 0.000 0.969 176 G HN 1.061 nan 8.290 nan 0.000 0.554 177 K N -0.165 120.282 120.400 0.077 0.000 2.211 177 K HA 0.066 4.396 4.320 0.016 0.000 0.203 177 K C 2.232 178.892 176.600 0.101 0.000 1.050 177 K CA 1.074 57.411 56.287 0.085 0.000 0.945 177 K CB -0.193 32.339 32.500 0.053 0.000 0.732 177 K HN 0.265 nan 8.250 nan 0.000 0.451 178 L N 0.536 121.819 121.223 0.100 0.000 2.611 178 L HA 0.139 4.489 4.340 0.016 0.000 0.229 178 L C 0.133 177.089 176.870 0.144 0.000 1.137 178 L CA -0.141 54.755 54.840 0.093 0.000 0.901 178 L CB -0.951 41.146 42.059 0.063 0.000 1.098 178 L HN -0.047 nan 8.230 nan 0.000 0.456 179 F N 0.795 120.759 119.950 0.024 0.000 2.533 179 F HA 0.100 4.630 4.527 0.005 0.000 0.378 179 F C 1.380 177.220 175.800 0.067 0.000 1.070 179 F CA 0.365 58.370 58.000 0.010 0.000 1.172 179 F CB 0.414 39.386 39.000 -0.046 0.000 1.085 179 F HN -0.045 nan 8.300 nan 0.000 0.552 180 K N 3.965 124.128 120.400 -0.395 0.000 2.391 180 K HA 0.423 4.753 4.320 0.016 0.000 0.197 180 K C 0.808 177.091 176.600 -0.529 0.000 1.087 180 K CA 0.607 56.696 56.287 -0.331 0.000 1.012 180 K CB 0.634 33.050 32.500 -0.140 0.000 0.925 180 K HN 0.853 nan 8.250 nan 0.000 0.547 181 G N 0.757 108.976 108.800 -0.969 0.000 2.339 181 G HA2 0.117 4.087 3.960 0.016 0.000 0.275 181 G HA3 0.117 4.087 3.960 0.016 0.000 0.275 181 G C -1.516 173.356 174.900 -0.045 0.000 1.323 181 G CA -0.341 44.375 45.100 -0.640 0.000 0.927 181 G HN 0.069 nan 8.290 nan 0.000 0.486 182 V N -2.631 117.561 119.914 0.464 0.000 3.102 182 V HA 0.899 5.029 4.120 0.016 0.000 0.312 182 V C -0.927 175.486 176.094 0.530 0.000 1.135 182 V CA -1.193 61.417 62.300 0.516 0.000 1.022 182 V CB 1.873 34.078 31.823 0.637 0.000 1.056 182 V HN 1.792 nan 8.190 nan 0.000 0.436 183 Y N 0.959 121.461 120.300 0.336 0.000 2.364 183 Y HA 0.669 5.228 4.550 0.015 0.000 0.340 183 Y C -0.390 175.690 175.900 0.300 0.000 0.975 183 Y CA -0.696 57.567 58.100 0.272 0.000 1.089 183 Y CB 1.584 40.156 38.460 0.187 0.000 1.192 183 Y HN 1.007 nan 8.280 nan 0.000 0.454 184 H N 5.626 124.437 119.070 -0.432 0.000 2.604 184 H HA 0.269 4.834 4.556 0.015 0.000 0.306 184 H C 0.223 175.125 175.328 -0.710 0.000 1.075 184 H CA -0.130 55.731 56.048 -0.312 0.000 1.357 184 H CB 1.055 30.753 29.762 -0.106 0.000 1.426 184 H HN 0.860 nan 8.280 nan 0.000 0.470 185 L N 4.351 125.364 121.223 -0.351 0.000 2.217 185 L HA -0.134 4.215 4.340 0.016 0.000 0.211 185 L C 0.926 177.559 176.870 -0.396 0.000 1.107 185 L CA 1.314 55.942 54.840 -0.354 0.000 0.783 185 L CB -0.340 41.531 42.059 -0.313 0.000 0.919 185 L HN 0.750 nan 8.230 nan 0.000 0.442 186 Y N -1.441 118.916 120.300 0.095 0.000 2.509 186 Y HA 0.098 4.657 4.550 0.015 0.000 0.270 186 Y C 2.068 178.043 175.900 0.125 0.000 1.103 186 Y CA 0.267 58.465 58.100 0.162 0.000 1.278 186 Y CB 0.014 38.603 38.460 0.214 0.000 1.087 186 Y HN -0.007 nan 8.280 nan 0.000 0.542 187 K N -0.220 120.314 120.400 0.223 0.000 2.367 187 K HA 0.008 4.337 4.320 0.016 0.000 0.194 187 K C -0.294 176.259 176.600 -0.079 0.000 1.027 187 K CA 0.444 56.700 56.287 -0.051 0.000 1.075 187 K CB 0.323 32.609 32.500 -0.357 0.000 0.845 187 K HN -0.032 nan 8.250 nan 0.000 0.529 188 D N 2.607 122.945 120.400 -0.104 0.000 2.904 188 D HA -0.184 4.466 4.640 0.016 0.000 0.231 188 D C -1.035 175.259 176.300 -0.009 0.000 1.185 188 D CA 1.246 55.218 54.000 -0.047 0.000 0.783 188 D CB -0.743 40.092 40.800 0.058 0.000 0.961 188 D HN 0.604 nan 8.370 nan 0.000 0.409 189 E N -1.338 118.782 120.200 -0.134 0.000 2.416 189 E HA 0.573 4.932 4.350 0.016 0.000 0.280 189 E C -1.355 175.223 176.600 -0.037 0.000 1.055 189 E CA -1.032 55.325 56.400 -0.070 0.000 0.825 189 E CB 1.041 30.601 29.700 -0.233 0.000 1.312 189 E HN -0.029 nan 8.360 nan 0.000 0.452 190 T N 1.926 116.488 114.554 0.014 0.000 2.791 190 T HA 0.346 4.706 4.350 0.016 0.000 0.288 190 T C -1.232 173.488 174.700 0.033 0.000 0.999 190 T CA -0.404 61.778 62.100 0.136 0.000 0.952 190 T CB 0.043 69.034 68.868 0.205 0.000 0.938 190 T HN 0.269 nan 8.240 nan 0.000 0.444 191 Y N 2.590 123.070 120.300 0.300 0.000 2.319 191 Y HA 0.398 4.956 4.550 0.014 0.000 0.328 191 Y C 0.135 176.319 175.900 0.474 0.000 1.133 191 Y CA -1.056 57.297 58.100 0.422 0.000 1.265 191 Y CB 0.490 39.290 38.460 0.568 0.000 1.218 191 Y HN 0.288 nan 8.280 nan 0.000 0.508 192 L N 4.334 125.854 121.223 0.495 0.000 2.282 192 L HA 0.237 4.586 4.340 0.016 0.000 0.288 192 L C -0.781 176.155 176.870 0.110 0.000 1.033 192 L CA -1.284 53.679 54.840 0.206 0.000 0.807 192 L CB 0.335 42.464 42.059 0.117 0.000 1.209 192 L HN 0.502 nan 8.230 nan 0.000 0.423 193 Y N 3.698 123.701 120.300 -0.494 0.000 2.336 193 Y HA 0.350 4.904 4.550 0.008 0.000 0.335 193 Y C 0.067 175.795 175.900 -0.288 0.000 1.046 193 Y CA -0.320 57.322 58.100 -0.764 0.000 1.198 193 Y CB 0.762 38.494 38.460 -1.213 0.000 1.182 193 Y HN 0.649 nan 8.280 nan 0.000 0.502 194 Q N 4.690 124.102 119.800 -0.647 0.000 2.325 194 Q HA 0.364 4.713 4.340 0.016 0.000 0.262 194 Q C -0.720 174.757 176.000 -0.871 0.000 0.968 194 Q CA -0.545 54.931 55.803 -0.545 0.000 0.877 194 Q CB 1.263 29.879 28.738 -0.204 0.000 1.253 194 Q HN 0.807 nan 8.270 nan 0.000 0.448 195 S N 1.802 117.099 115.700 -0.671 0.000 2.603 195 S HA 0.466 4.946 4.470 0.016 0.000 0.268 195 S C 0.700 175.186 174.600 -0.190 0.000 1.317 195 S CA 0.916 58.839 58.200 -0.462 0.000 1.012 195 S CB 0.535 63.618 63.200 -0.195 0.000 0.926 195 S HN 1.010 nan 8.310 nan 0.000 0.539 196 G N 2.598 111.364 108.800 -0.056 0.000 2.198 196 G HA2 -0.214 3.755 3.960 0.016 0.000 0.260 196 G HA3 -0.214 3.755 3.960 0.016 0.000 0.260 196 G C 0.691 175.598 174.900 0.011 0.000 1.025 196 G CA 0.695 45.796 45.100 0.002 0.000 0.769 196 G HN 0.574 nan 8.290 nan 0.000 0.507 197 K N -0.720 119.686 120.400 0.011 0.000 2.564 197 K HA 0.461 4.791 4.320 0.016 0.000 0.204 197 K C 2.298 178.924 176.600 0.042 0.000 1.073 197 K CA 1.054 57.362 56.287 0.035 0.000 1.137 197 K CB -0.862 31.663 32.500 0.042 0.000 1.490 197 K HN 1.148 nan 8.250 nan 0.000 0.466 198 G N 1.036 109.858 108.800 0.036 0.000 2.990 198 G HA2 -0.288 3.682 3.960 0.016 0.000 0.225 198 G HA3 -0.288 3.682 3.960 0.016 0.000 0.225 198 G C 0.962 175.746 174.900 -0.193 0.000 1.304 198 G CA 0.683 45.740 45.100 -0.072 0.000 0.816 198 G HN 0.485 nan 8.290 nan 0.000 0.528 199 H N 2.317 121.389 119.070 0.004 0.000 2.539 199 H HA 0.274 4.840 4.556 0.016 0.000 0.269 199 H C 1.641 176.940 175.328 -0.050 0.000 0.980 199 H CA 1.742 57.776 56.048 -0.023 0.000 1.152 199 H CB 0.273 30.026 29.762 -0.014 0.000 1.407 199 H HN 0.773 nan 8.280 nan 0.000 0.564 200 T N -2.186 112.384 114.554 0.026 0.000 2.724 200 T HA 0.527 4.886 4.350 0.016 0.000 0.274 200 T C 0.158 174.794 174.700 -0.108 0.000 0.984 200 T CA -0.872 61.208 62.100 -0.034 0.000 1.024 200 T CB 1.525 70.393 68.868 -0.000 0.000 1.320 200 T HN -0.043 nan 8.240 nan 0.000 0.555 201 I N 2.201 122.690 120.570 -0.136 0.000 2.297 201 I HA 0.216 4.396 4.170 0.016 0.000 0.291 201 I C 0.821 176.948 176.117 0.017 0.000 1.033 201 I CA -0.804 60.411 61.300 -0.141 0.000 1.253 201 I CB 1.068 38.934 38.000 -0.224 0.000 1.396 201 I HN 0.601 nan 8.210 nan 0.000 0.476 202 Q N 4.558 124.412 119.800 0.091 0.000 2.450 202 Q HA 0.006 4.355 4.340 0.016 0.000 0.294 202 Q C 0.030 176.113 176.000 0.138 0.000 1.129 202 Q CA 0.205 56.085 55.803 0.129 0.000 0.970 202 Q CB 0.576 29.442 28.738 0.213 0.000 1.294 202 Q HN 0.526 nan 8.270 nan 0.000 0.453 203 E N 0.492 120.762 120.200 0.117 0.000 2.414 203 E HA 0.034 4.394 4.350 0.016 0.000 0.263 203 E C -0.932 175.777 176.600 0.182 0.000 1.000 203 E CA -0.293 56.181 56.400 0.123 0.000 0.914 203 E CB 0.717 30.471 29.700 0.090 0.000 0.948 203 E HN 0.230 nan 8.360 nan 0.000 0.444 204 V N 5.870 125.901 119.914 0.194 0.000 2.488 204 V HA 0.204 4.334 4.120 0.016 0.000 0.277 204 V C 0.265 176.485 176.094 0.210 0.000 1.046 204 V CA -0.094 62.360 62.300 0.258 0.000 0.986 204 V CB 0.789 32.773 31.823 0.268 0.000 0.989 204 V HN 0.564 nan 8.190 nan 0.000 0.475 205 R N 5.908 126.553 120.500 0.242 0.000 2.439 205 R HA 0.664 5.014 4.340 0.016 0.000 0.310 205 R C -1.232 175.157 176.300 0.148 0.000 0.955 205 R CA -0.514 55.682 56.100 0.160 0.000 0.853 205 R CB 2.212 32.589 30.300 0.128 0.000 1.171 205 R HN 0.602 nan 8.270 nan 0.000 0.449 206 I N 2.619 123.225 120.570 0.060 0.000 2.466 206 I HA 0.319 4.499 4.170 0.016 0.000 0.289 206 I C -0.163 175.940 176.117 -0.024 0.000 1.026 206 I CA -1.242 60.038 61.300 -0.034 0.000 1.078 206 I CB 2.342 40.261 38.000 -0.135 0.000 1.249 206 I HN 0.120 nan 8.210 nan 0.000 0.429 207 V N 6.828 126.734 119.914 -0.014 0.000 2.439 207 V HA 0.309 4.439 4.120 0.016 0.000 0.282 207 V C 0.904 176.995 176.094 -0.005 0.000 1.039 207 V CA -0.557 61.745 62.300 0.002 0.000 0.913 207 V CB 1.568 33.406 31.823 0.026 0.000 0.983 207 V HN 0.709 nan 8.190 nan 0.000 0.460 208 K N 3.043 123.442 120.400 -0.003 0.000 2.121 208 K HA 0.166 4.495 4.320 0.016 0.000 0.203 208 K C 1.200 177.823 176.600 0.038 0.000 1.041 208 K CA 0.778 57.063 56.287 -0.004 0.000 0.969 208 K CB -0.145 32.346 32.500 -0.016 0.000 0.799 208 K HN 0.765 nan 8.250 nan 0.000 0.456 209 G N 2.241 111.062 108.800 0.035 0.000 2.441 209 G HA2 0.135 4.105 3.960 0.016 0.000 0.243 209 G HA3 0.135 4.105 3.960 0.016 0.000 0.243 209 G C 0.888 175.831 174.900 0.072 0.000 1.281 209 G CA -0.328 44.800 45.100 0.047 0.000 0.854 209 G HN 0.121 nan 8.290 nan 0.000 0.560 210 L N 1.743 123.022 121.223 0.093 0.000 2.046 210 L HA -0.058 4.291 4.340 0.016 0.000 0.208 210 L C 1.765 178.595 176.870 -0.067 0.000 1.077 210 L CA 1.672 56.497 54.840 -0.024 0.000 0.747 210 L CB -0.140 41.852 42.059 -0.112 0.000 0.896 210 L HN 0.520 nan 8.230 nan 0.000 0.432 211 N N -0.000 118.680 118.700 -0.033 0.000 2.268 211 N HA 0.019 4.769 4.740 0.016 0.000 0.204 211 N C -0.124 175.375 175.510 -0.019 0.000 1.124 211 N CA 0.023 53.052 53.050 -0.035 0.000 0.838 211 N CB -0.523 37.945 38.487 -0.032 0.000 0.994 211 N HN 0.522 nan 8.380 nan 0.000 0.489 212 N N 2.711 121.406 118.700 -0.008 0.000 2.468 212 N HA 0.025 4.774 4.740 0.016 0.000 0.265 212 N C -1.384 174.122 175.510 -0.007 0.000 1.199 212 N CA -1.271 51.778 53.050 -0.003 0.000 0.928 212 N CB 1.520 40.011 38.487 0.007 0.000 1.059 212 N HN -0.033 nan 8.380 nan 0.000 0.467 213 P HA -0.125 nan 4.420 nan 0.000 0.225 213 P C 0.122 177.419 177.300 -0.005 0.000 1.148 213 P CA 0.947 64.043 63.100 -0.008 0.000 0.779 213 P CB 0.277 31.973 31.700 -0.007 0.000 0.780 214 D N -0.175 120.225 120.400 -0.001 0.000 2.218 214 D HA -0.127 4.522 4.640 0.016 0.000 0.204 214 D C 1.922 178.224 176.300 0.004 0.000 0.976 214 D CA 0.680 54.682 54.000 0.002 0.000 0.853 214 D CB -0.508 40.295 40.800 0.005 0.000 0.939 214 D HN 0.141 nan 8.370 nan 0.000 0.481 215 L N 1.219 122.444 121.223 0.004 0.000 2.093 215 L HA -0.152 4.197 4.340 0.016 0.000 0.208 215 L C 1.147 178.015 176.870 -0.003 0.000 1.085 215 L CA 1.853 56.696 54.840 0.005 0.000 0.755 215 L CB -0.433 41.626 42.059 0.000 0.000 0.904 215 L HN -0.185 nan 8.230 nan 0.000 0.435 216 D N -0.176 120.219 120.400 -0.009 0.000 2.178 216 D HA -0.097 4.553 4.640 0.016 0.000 0.202 216 D C 2.173 178.469 176.300 -0.007 0.000 0.974 216 D CA 1.298 55.292 54.000 -0.010 0.000 0.841 216 D CB -0.180 40.612 40.800 -0.013 0.000 0.953 216 D HN 0.488 nan 8.370 nan 0.000 0.478 217 A N 0.518 123.335 122.820 -0.004 0.000 2.016 217 A HA 0.206 4.536 4.320 0.016 0.000 0.217 217 A C 2.175 179.758 177.584 -0.003 0.000 1.162 217 A CA 1.411 53.446 52.037 -0.003 0.000 0.662 217 A CB -0.458 18.541 19.000 -0.002 0.000 0.812 217 A HN 0.232 nan 8.150 nan 0.000 0.450 218 A N -1.069 121.750 122.820 -0.001 0.000 1.935 218 A HA 0.239 4.568 4.320 0.016 0.000 0.214 218 A C 1.798 179.377 177.584 -0.009 0.000 1.178 218 A CA 1.690 53.726 52.037 -0.002 0.000 0.640 218 A CB -0.139 18.864 19.000 0.006 0.000 0.825 218 A HN 0.429 nan 8.150 nan 0.000 0.447 219 V N -1.687 118.223 119.914 -0.008 0.000 3.612 219 V HA 0.447 4.576 4.120 0.016 0.000 0.268 219 V C 0.965 177.054 176.094 -0.008 0.000 1.365 219 V CA 0.544 62.837 62.300 -0.011 0.000 1.044 219 V CB -0.342 31.476 31.823 -0.008 0.000 0.820 219 V HN 1.167 nan 8.190 nan 0.000 0.444 220 G N 0.779 109.575 108.800 -0.007 0.000 2.785 220 G HA2 -0.156 3.814 3.960 0.016 0.000 0.686 220 G HA3 -0.156 3.814 3.960 0.016 0.000 0.686 220 G C 0.034 174.930 174.900 -0.006 0.000 1.155 220 G CA 0.040 45.137 45.100 -0.005 0.000 0.760 220 G HN 0.235 nan 8.290 nan 0.000 0.624 221 E N 0.031 120.227 120.200 -0.007 0.000 2.268 221 E HA -0.088 4.271 4.350 0.016 0.000 0.195 221 E C 1.946 178.540 176.600 -0.009 0.000 0.995 221 E CA 1.070 57.463 56.400 -0.010 0.000 0.836 221 E CB 0.069 29.763 29.700 -0.011 0.000 0.763 221 E HN 0.601 nan 8.360 nan 0.000 0.491 222 D N 0.577 120.975 120.400 -0.004 0.000 2.087 222 D HA -0.174 4.475 4.640 0.016 0.000 0.192 222 D C 1.719 178.020 176.300 0.002 0.000 0.993 222 D CA 1.205 55.204 54.000 -0.001 0.000 0.828 222 D CB -0.021 40.781 40.800 0.003 0.000 0.968 222 D HN 0.115 nan 8.370 nan 0.000 0.448 223 L N -0.329 120.896 121.223 0.004 0.000 2.395 223 L HA 0.150 4.499 4.340 0.016 0.000 0.218 223 L C 2.378 179.250 176.870 0.003 0.000 1.130 223 L CA 0.597 55.443 54.840 0.010 0.000 0.826 223 L CB -0.209 41.859 42.059 0.014 0.000 0.941 223 L HN 0.085 nan 8.230 nan 0.000 0.451 224 A N -0.612 122.201 122.820 -0.010 0.000 1.930 224 A HA -0.166 4.163 4.320 0.016 0.000 0.215 224 A C 2.220 179.779 177.584 -0.042 0.000 1.176 224 A CA 1.014 53.033 52.037 -0.029 0.000 0.632 224 A CB -0.197 18.785 19.000 -0.030 0.000 0.819 224 A HN 0.388 nan 8.150 nan 0.000 0.445 225 Q N -1.076 118.707 119.800 -0.029 0.000 2.123 225 Q HA -0.157 4.192 4.340 0.016 0.000 0.199 225 Q C 2.263 178.247 176.000 -0.026 0.000 0.966 225 Q CA 1.319 57.103 55.803 -0.032 0.000 0.845 225 Q CB -0.085 28.640 28.738 -0.022 0.000 0.907 225 Q HN 0.804 nan 8.270 nan 0.000 0.439 226 Q N 0.373 120.168 119.800 -0.008 0.000 2.224 226 Q HA -0.170 4.180 4.340 0.016 0.000 0.203 226 Q C 2.011 178.025 176.000 0.024 0.000 0.970 226 Q CA 0.626 56.436 55.803 0.012 0.000 0.865 226 Q CB 0.110 28.865 28.738 0.028 0.000 0.922 226 Q HN 0.257 nan 8.270 nan 0.000 0.445 227 L N 0.662 121.889 121.223 0.007 0.000 2.027 227 L HA -0.134 4.216 4.340 0.016 0.000 0.206 227 L C 2.135 178.950 176.870 -0.092 0.000 1.074 227 L CA 1.724 56.565 54.840 0.003 0.000 0.745 227 L CB -0.320 41.714 42.059 -0.041 0.000 0.898 227 L HN 0.046 nan 8.230 nan 0.000 0.433 228 R N -0.301 120.129 120.500 -0.115 0.000 2.096 228 R HA -0.134 4.216 4.340 0.016 0.000 0.235 228 R C 1.850 178.083 176.300 -0.113 0.000 1.127 228 R CA 1.470 57.486 56.100 -0.140 0.000 0.968 228 R CB -0.487 29.743 30.300 -0.116 0.000 0.861 228 R HN 0.474 nan 8.270 nan 0.000 0.440 229 D N 0.439 120.794 120.400 -0.074 0.000 2.123 229 D HA -0.117 4.532 4.640 0.016 0.000 0.200 229 D C 1.642 177.897 176.300 -0.074 0.000 0.976 229 D CA 1.096 55.060 54.000 -0.060 0.000 0.831 229 D CB -0.084 40.698 40.800 -0.030 0.000 0.974 229 D HN 0.315 nan 8.370 nan 0.000 0.469 230 E N -0.047 120.115 120.200 -0.063 0.000 2.106 230 E HA -0.104 4.255 4.350 0.016 0.000 0.192 230 E C 1.899 178.311 176.600 -0.312 0.000 0.984 230 E CA 0.219 56.570 56.400 -0.083 0.000 0.806 230 E CB 0.083 29.858 29.700 0.126 0.000 0.750 230 E HN 0.068 nan 8.360 nan 0.000 0.458 231 L N 1.036 122.053 121.223 -0.343 0.000 2.131 231 L HA -0.169 4.181 4.340 0.016 0.000 0.210 231 L C 2.148 178.855 176.870 -0.270 0.000 1.092 231 L CA 1.563 56.166 54.840 -0.396 0.000 0.759 231 L CB -0.481 41.403 42.059 -0.292 0.000 0.903 231 L HN 0.032 nan 8.230 nan 0.000 0.435 232 E N -0.560 119.527 120.200 -0.189 0.000 2.072 232 E HA -0.145 4.215 4.350 0.016 0.000 0.191 232 E C 2.249 178.773 176.600 -0.126 0.000 0.985 232 E CA 1.036 57.356 56.400 -0.133 0.000 0.801 232 E CB -0.163 29.480 29.700 -0.095 0.000 0.750 232 E HN 0.397 nan 8.360 nan 0.000 0.452 233 L N -0.702 120.442 121.223 -0.132 0.000 2.093 233 L HA -0.134 4.215 4.340 0.016 0.000 0.208 233 L C 2.322 179.108 176.870 -0.140 0.000 1.085 233 L CA 0.574 55.352 54.840 -0.104 0.000 0.755 233 L CB -0.468 41.552 42.059 -0.065 0.000 0.904 233 L HN 0.054 nan 8.230 nan 0.000 0.435 234 V N 0.032 119.789 119.914 -0.261 0.000 2.287 234 V HA -0.293 3.836 4.120 0.016 0.000 0.248 234 V C 2.593 178.577 176.094 -0.184 0.000 1.053 234 V CA 1.808 63.921 62.300 -0.312 0.000 1.027 234 V CB -0.428 31.030 31.823 -0.608 0.000 0.646 234 V HN 0.322 nan 8.190 nan 0.000 0.447 235 K N 0.633 120.932 120.400 -0.169 0.000 2.148 235 K HA -0.048 4.281 4.320 0.016 0.000 0.204 235 K C 1.986 178.541 176.600 -0.074 0.000 1.050 235 K CA 1.266 57.487 56.287 -0.110 0.000 0.942 235 K CB -0.843 31.594 32.500 -0.106 0.000 0.724 235 K HN 0.481 nan 8.250 nan 0.000 0.446 236 G N -1.280 107.476 108.800 -0.074 0.000 2.511 236 G HA2 -0.009 3.961 3.960 0.016 0.000 0.217 236 G HA3 -0.009 3.961 3.960 0.016 0.000 0.217 236 G C 1.087 175.967 174.900 -0.034 0.000 1.133 236 G CA 0.678 45.749 45.100 -0.048 0.000 0.792 236 G HN 0.334 nan 8.290 nan 0.000 0.539 237 A N -1.054 121.745 122.820 -0.036 0.000 2.600 237 A HA 0.670 4.999 4.320 0.016 0.000 0.252 237 A C 0.825 178.408 177.584 -0.001 0.000 1.200 237 A CA 0.763 52.791 52.037 -0.014 0.000 0.981 237 A CB 0.409 19.406 19.000 -0.004 0.000 1.207 237 A HN 0.292 nan 8.150 nan 0.000 0.577 238 S N -0.099 115.594 115.700 -0.011 0.000 2.837 238 S HA 0.596 5.075 4.470 0.016 0.000 0.314 238 S C -1.271 173.336 174.600 0.012 0.000 1.098 238 S CA -0.724 57.483 58.200 0.012 0.000 0.903 238 S CB 0.883 64.092 63.200 0.015 0.000 1.310 238 S HN 0.403 nan 8.310 nan 0.000 0.581 239 N N 1.552 120.272 118.700 0.033 0.000 2.258 239 N HA 0.297 5.047 4.740 0.016 0.000 0.299 239 N C -1.392 174.161 175.510 0.071 0.000 1.047 239 N CA -0.514 52.556 53.050 0.034 0.000 0.814 239 N CB 1.649 40.150 38.487 0.024 0.000 1.413 239 N HN 0.608 nan 8.380 nan 0.000 0.478 240 E N 0.486 120.732 120.200 0.077 0.000 2.418 240 E HA -0.001 4.359 4.350 0.016 0.000 0.261 240 E C -0.437 176.238 176.600 0.124 0.000 1.070 240 E CA 0.091 56.591 56.400 0.166 0.000 0.931 240 E CB 0.708 30.489 29.700 0.134 0.000 0.954 240 E HN 0.321 nan 8.360 nan 0.000 0.439 241 F N 2.560 122.503 119.950 -0.012 0.000 2.471 241 F HA 0.071 4.608 4.527 0.017 0.000 0.353 241 F C 0.091 175.753 175.800 -0.229 0.000 1.113 241 F CA 0.238 58.078 58.000 -0.266 0.000 1.262 241 F CB 0.656 39.279 39.000 -0.628 0.000 1.146 241 F HN 0.232 nan 8.300 nan 0.000 0.578 242 D N 5.796 125.422 120.400 -1.290 0.000 2.602 242 D HA 0.084 4.733 4.640 0.016 0.000 0.245 242 D C 0.310 175.935 176.300 -1.125 0.000 1.325 242 D CA -0.371 53.090 54.000 -0.899 0.000 0.952 242 D CB 1.673 42.225 40.800 -0.413 0.000 1.317 242 D HN 0.755 nan 8.370 nan 0.000 0.577 243 K N 2.708 122.591 120.400 -0.860 0.000 2.103 243 K HA -0.175 4.154 4.320 0.016 0.000 0.207 243 K C 1.514 178.024 176.600 -0.150 0.000 1.048 243 K CA 1.202 57.233 56.287 -0.427 0.000 0.930 243 K CB 0.284 32.743 32.500 -0.068 0.000 0.716 243 K HN 0.487 nan 8.250 nan 0.000 0.444 244 E N 0.532 120.634 120.200 -0.163 0.000 2.023 244 E HA -0.203 4.157 4.350 0.016 0.000 0.196 244 E C 2.101 178.638 176.600 -0.105 0.000 1.003 244 E CA 1.429 57.772 56.400 -0.094 0.000 0.809 244 E CB -0.078 29.571 29.700 -0.086 0.000 0.755 244 E HN 0.295 nan 8.360 nan 0.000 0.449 245 L N 0.331 121.465 121.223 -0.148 0.000 2.079 245 L HA -0.193 4.157 4.340 0.016 0.000 0.210 245 L C 2.539 179.351 176.870 -0.096 0.000 1.081 245 L CA 1.009 55.775 54.840 -0.123 0.000 0.752 245 L CB -0.550 41.426 42.059 -0.138 0.000 0.896 245 L HN 0.249 nan 8.230 nan 0.000 0.433 246 F N 1.024 120.812 119.950 -0.270 0.000 2.095 246 F HA -0.241 4.295 4.527 0.016 0.000 0.298 246 F C 2.131 177.897 175.800 -0.058 0.000 1.104 246 F CA 1.614 59.517 58.000 -0.161 0.000 1.232 246 F CB -0.313 38.574 39.000 -0.189 0.000 0.987 246 F HN -0.114 nan 8.300 nan 0.000 0.475 247 L N -0.170 120.890 121.223 -0.272 0.000 2.291 247 L HA -0.058 4.292 4.340 0.016 0.000 0.214 247 L C 2.414 179.151 176.870 -0.221 0.000 1.120 247 L CA 0.847 55.507 54.840 -0.300 0.000 0.799 247 L CB -0.880 41.128 42.059 -0.084 0.000 0.925 247 L HN 0.279 nan 8.230 nan 0.000 0.446 248 A N -0.495 122.227 122.820 -0.164 0.000 2.251 248 A HA 0.336 4.666 4.320 0.016 0.000 0.209 248 A C 1.653 179.167 177.584 -0.117 0.000 1.187 248 A CA 0.611 52.578 52.037 -0.116 0.000 0.823 248 A CB -0.278 18.673 19.000 -0.082 0.000 0.846 248 A HN 0.459 nan 8.150 nan 0.000 0.486 249 G N -0.628 108.073 108.800 -0.165 0.000 2.160 249 G HA2 -0.246 3.723 3.960 0.016 0.000 0.244 249 G HA3 -0.246 3.723 3.960 0.016 0.000 0.244 249 G C 0.322 175.186 174.900 -0.061 0.000 1.022 249 G CA 0.631 45.656 45.100 -0.125 0.000 0.741 249 G HN 0.583 nan 8.290 nan 0.000 0.508 250 E N -1.207 118.961 120.200 -0.053 0.000 2.465 250 E HA 0.334 4.693 4.350 0.016 0.000 0.209 250 E C 1.001 177.598 176.600 -0.006 0.000 0.951 250 E CA 0.650 57.032 56.400 -0.029 0.000 0.997 250 E CB 0.533 30.208 29.700 -0.042 0.000 1.025 250 E HN 0.829 nan 8.360 nan 0.000 0.500 251 I N -2.289 118.291 120.570 0.017 0.000 3.145 251 I HA 0.528 4.708 4.170 0.016 0.000 0.313 251 I C -0.666 175.565 176.117 0.190 0.000 1.122 251 I CA -0.871 60.467 61.300 0.063 0.000 0.987 251 I CB 2.216 40.218 38.000 0.003 0.000 1.236 251 I HN -0.225 nan 8.210 nan 0.000 0.453 252 T N -0.240 114.430 114.554 0.194 0.000 2.916 252 T HA 0.679 5.039 4.350 0.016 0.000 0.298 252 T C -3.038 171.762 174.700 0.166 0.000 1.031 252 T CA -1.759 60.502 62.100 0.269 0.000 0.993 252 T CB 1.833 70.829 68.868 0.212 0.000 1.045 252 T HN 0.660 nan 8.240 nan 0.000 0.454 253 P HA 0.344 nan 4.420 nan 0.000 0.271 253 P C -0.782 176.452 177.300 -0.109 0.000 1.216 253 P CA -0.392 62.624 63.100 -0.139 0.000 0.776 253 P CB 0.902 32.394 31.700 -0.346 0.000 0.881 254 V N 4.403 124.170 119.914 -0.245 0.000 2.409 254 V HA 0.393 4.523 4.120 0.016 0.000 0.291 254 V C -0.083 175.797 176.094 -0.357 0.000 1.020 254 V CA -0.332 61.860 62.300 -0.180 0.000 0.848 254 V CB 0.714 32.495 31.823 -0.071 0.000 0.990 254 V HN 0.361 nan 8.190 nan 0.000 0.430 255 F N 3.908 123.803 119.950 -0.090 0.000 2.507 255 F HA 0.742 5.278 4.527 0.014 0.000 0.327 255 F C -0.338 175.214 175.800 -0.413 0.000 1.068 255 F CA -0.667 57.319 58.000 -0.023 0.000 0.965 255 F CB 1.766 40.851 39.000 0.142 0.000 1.192 255 F HN 0.278 nan 8.300 nan 0.000 0.476 256 F N 0.642 120.570 119.950 -0.037 0.000 2.520 256 F HA 0.797 5.333 4.527 0.015 0.000 0.322 256 F C 0.417 176.083 175.800 -0.223 0.000 1.103 256 F CA -0.766 57.067 58.000 -0.277 0.000 0.926 256 F CB 1.943 40.848 39.000 -0.158 0.000 1.154 256 F HN 0.581 nan 8.300 nan 0.000 0.453 257 G N 0.259 108.851 108.800 -0.346 0.000 2.428 257 G HA2 0.479 4.449 3.960 0.016 0.000 0.304 257 G HA3 0.479 4.449 3.960 0.016 0.000 0.304 257 G C -1.817 173.032 174.900 -0.085 0.000 1.303 257 G CA -0.707 44.391 45.100 -0.004 0.000 0.825 257 G HN 0.599 nan 8.290 nan 0.000 0.484 258 T N -1.233 113.405 114.554 0.139 0.000 2.881 258 T HA 0.603 4.963 4.350 0.016 0.000 0.291 258 T C 1.070 175.888 174.700 0.196 0.000 0.990 258 T CA 0.898 63.041 62.100 0.073 0.000 0.976 258 T CB 1.216 70.020 68.868 -0.107 0.000 0.970 258 T HN 1.507 nan 8.240 nan 0.000 0.438 259 A N 4.515 127.442 122.820 0.179 0.000 1.930 259 A HA 0.154 4.484 4.320 0.016 0.000 0.215 259 A C 1.960 179.566 177.584 0.038 0.000 1.176 259 A CA 0.781 52.869 52.037 0.085 0.000 0.632 259 A CB -0.628 18.394 19.000 0.038 0.000 0.819 259 A HN 0.725 nan 8.150 nan 0.000 0.445 260 L N 0.032 121.278 121.223 0.039 0.000 2.083 260 L HA -0.021 4.329 4.340 0.016 0.000 0.209 260 L C 2.058 178.943 176.870 0.024 0.000 1.083 260 L CA 2.160 57.004 54.840 0.006 0.000 0.752 260 L CB -0.698 41.375 42.059 0.022 0.000 0.899 260 L HN 0.298 nan 8.230 nan 0.000 0.433 261 G N -1.658 107.219 108.800 0.128 0.000 3.284 261 G HA2 -0.063 3.907 3.960 0.016 0.000 0.236 261 G HA3 -0.063 3.907 3.960 0.016 0.000 0.236 261 G C 0.513 175.594 174.900 0.301 0.000 1.158 261 G CA 0.174 45.429 45.100 0.260 0.000 0.774 261 G HN 0.604 nan 8.290 nan 0.000 0.545 262 N N -0.845 117.966 118.700 0.185 0.000 2.686 262 N HA -0.236 4.514 4.740 0.016 0.000 0.261 262 N C -1.029 174.676 175.510 0.326 0.000 1.001 262 N CA -0.098 53.062 53.050 0.183 0.000 0.764 262 N CB -0.766 37.768 38.487 0.078 0.000 0.898 262 N HN 0.258 nan 8.380 nan 0.000 0.544 263 F N 0.167 120.217 119.950 0.166 0.000 2.507 263 F HA 0.555 5.097 4.527 0.024 0.000 0.325 263 F C 1.200 177.027 175.800 0.045 0.000 1.116 263 F CA 0.668 58.752 58.000 0.140 0.000 0.930 263 F CB 1.582 40.712 39.000 0.218 0.000 1.146 263 F HN 0.126 nan 8.300 nan 0.000 0.447 264 G N 3.062 111.327 108.800 -0.892 0.000 2.205 264 G HA2 -0.298 3.672 3.960 0.016 0.000 0.261 264 G HA3 -0.298 3.672 3.960 0.016 0.000 0.261 264 G C 0.738 175.429 174.900 -0.349 0.000 0.980 264 G CA 0.448 45.079 45.100 -0.782 0.000 0.632 264 G HN 0.732 nan 8.290 nan 0.000 0.533 265 V N 2.468 122.180 119.914 -0.336 0.000 2.358 265 V HA -0.124 4.006 4.120 0.016 0.000 0.246 265 V C 2.812 178.508 176.094 -0.664 0.000 1.047 265 V CA 2.685 64.691 62.300 -0.490 0.000 1.035 265 V CB -0.466 31.174 31.823 -0.306 0.000 0.658 265 V HN 0.727 nan 8.190 nan 0.000 0.452 266 D N -0.258 119.643 120.400 -0.832 0.000 2.218 266 D HA -0.258 4.392 4.640 0.016 0.000 0.204 266 D C 1.729 177.715 176.300 -0.524 0.000 0.976 266 D CA 1.785 55.214 54.000 -0.952 0.000 0.853 266 D CB -0.680 39.493 40.800 -1.046 0.000 0.939 266 D HN 0.671 nan 8.370 nan 0.000 0.481 267 H N 0.039 118.784 119.070 -0.542 0.000 2.353 267 H HA -0.073 4.493 4.556 0.016 0.000 0.300 267 H C 2.325 177.177 175.328 -0.794 0.000 1.090 267 H CA 1.585 57.365 56.048 -0.448 0.000 1.327 267 H CB -0.054 29.569 29.762 -0.232 0.000 1.383 267 H HN 0.254 nan 8.280 nan 0.000 0.508 268 M N 0.659 119.717 119.600 -0.903 0.000 2.200 268 M HA -0.031 4.458 4.480 0.016 0.000 0.265 268 M C 1.664 177.457 176.300 -0.844 0.000 1.066 268 M CA 1.522 56.045 55.300 -1.295 0.000 1.127 268 M CB -0.515 31.577 32.600 -0.846 0.000 1.379 268 M HN 0.117 nan 8.290 nan 0.000 0.420 269 L N 0.338 121.097 121.223 -0.774 0.000 2.201 269 L HA -0.156 4.194 4.340 0.016 0.000 0.212 269 L C 1.725 178.227 176.870 -0.613 0.000 1.105 269 L CA 0.918 55.256 54.840 -0.837 0.000 0.775 269 L CB -0.949 40.293 42.059 -1.363 0.000 0.913 269 L HN 0.352 nan 8.230 nan 0.000 0.440 270 D N -0.098 120.029 120.400 -0.455 0.000 2.149 270 D HA -0.105 4.545 4.640 0.016 0.000 0.201 270 D C 2.118 178.121 176.300 -0.495 0.000 0.972 270 D CA 1.376 55.206 54.000 -0.283 0.000 0.835 270 D CB -0.221 40.485 40.800 -0.156 0.000 0.966 270 D HN 0.316 nan 8.370 nan 0.000 0.476 271 G N 1.634 110.071 108.800 -0.605 0.000 2.404 271 G HA2 -0.188 3.782 3.960 0.016 0.000 0.215 271 G HA3 -0.188 3.782 3.960 0.016 0.000 0.215 271 G C 1.531 176.153 174.900 -0.463 0.000 1.174 271 G CA 0.178 44.790 45.100 -0.815 0.000 0.780 271 G HN 0.185 nan 8.290 nan 0.000 0.537 272 L N 1.009 122.023 121.223 -0.349 0.000 1.978 272 L HA -0.124 4.226 4.340 0.016 0.000 0.218 272 L C 2.969 179.716 176.870 -0.205 0.000 1.075 272 L CA 1.897 56.574 54.840 -0.271 0.000 0.767 272 L CB -1.034 40.734 42.059 -0.485 0.000 0.890 272 L HN 0.170 nan 8.230 nan 0.000 0.434 273 V N 0.094 119.861 119.914 -0.246 0.000 2.343 273 V HA -0.259 3.870 4.120 0.016 0.000 0.247 273 V C 2.644 178.657 176.094 -0.136 0.000 1.051 273 V CA 1.987 64.200 62.300 -0.144 0.000 1.036 273 V CB -0.408 31.372 31.823 -0.072 0.000 0.654 273 V HN 0.509 nan 8.190 nan 0.000 0.451 274 E N -1.426 118.600 120.200 -0.290 0.000 2.158 274 E HA -0.146 4.214 4.350 0.016 0.000 0.191 274 E C 1.802 178.340 176.600 -0.104 0.000 0.982 274 E CA 1.363 57.559 56.400 -0.340 0.000 0.823 274 E CB -0.012 29.230 29.700 -0.763 0.000 0.766 274 E HN 0.662 nan 8.360 nan 0.000 0.468 275 W N -0.231 121.074 121.300 0.008 0.000 3.097 275 W HA 0.527 5.196 4.660 0.015 0.000 0.245 275 W C 0.495 177.191 176.519 0.294 0.000 1.120 275 W CA -0.050 57.352 57.345 0.095 0.000 1.468 275 W CB -0.856 28.520 29.460 -0.141 0.000 0.851 275 W HN -0.028 nan 8.180 nan 0.000 0.692 276 A N 2.751 125.831 122.820 0.433 0.000 2.425 276 A HA 0.415 4.745 4.320 0.016 0.000 0.242 276 A C -2.191 175.518 177.584 0.208 0.000 1.077 276 A CA -0.583 51.670 52.037 0.361 0.000 0.781 276 A CB -0.586 18.526 19.000 0.188 0.000 1.020 276 A HN -0.204 nan 8.150 nan 0.000 0.494 277 P HA 0.436 nan 4.420 nan 0.000 0.277 277 P C -0.172 177.159 177.300 0.053 0.000 1.240 277 P CA -0.123 63.030 63.100 0.089 0.000 0.798 277 P CB 0.903 32.635 31.700 0.053 0.000 0.979 278 A N 3.395 126.237 122.820 0.037 0.000 2.280 278 A HA 0.428 4.757 4.320 0.016 0.000 0.268 278 A C -2.098 175.494 177.584 0.013 0.000 1.111 278 A CA -1.519 50.526 52.037 0.013 0.000 0.814 278 A CB -1.583 17.418 19.000 0.002 0.000 1.093 278 A HN 0.426 nan 8.150 nan 0.000 0.498 279 P HA -0.044 nan 4.420 nan 0.000 0.252 279 P C -0.268 177.043 177.300 0.018 0.000 1.147 279 P CA 0.984 64.090 63.100 0.009 0.000 0.779 279 P CB -0.032 31.674 31.700 0.010 0.000 0.733 280 M N 5.626 125.236 119.600 0.016 0.000 2.227 280 M HA 0.320 4.809 4.480 0.016 0.000 0.316 280 M C -1.831 174.491 176.300 0.036 0.000 1.144 280 M CA -2.178 53.135 55.300 0.022 0.000 1.121 280 M CB -0.343 32.264 32.600 0.011 0.000 1.440 280 M HN 0.084 nan 8.290 nan 0.000 0.473 281 P HA 0.318 nan 4.420 nan 0.000 0.274 281 P C -0.700 176.650 177.300 0.085 0.000 1.260 281 P CA -0.296 62.849 63.100 0.074 0.000 0.793 281 P CB 0.636 32.376 31.700 0.066 0.000 1.048 282 R N 0.444 121.037 120.500 0.155 0.000 2.604 282 R HA 0.366 4.715 4.340 0.016 0.000 0.281 282 R C -0.667 175.809 176.300 0.293 0.000 1.020 282 R CA -0.973 55.235 56.100 0.179 0.000 0.899 282 R CB 1.580 31.928 30.300 0.081 0.000 1.205 282 R HN 0.424 nan 8.270 nan 0.000 0.450 283 Q N 0.491 120.400 119.800 0.182 0.000 2.340 283 Q HA 0.401 4.750 4.340 0.016 0.000 0.249 283 Q C -0.578 175.507 176.000 0.141 0.000 0.957 283 Q CA 0.597 56.472 55.803 0.121 0.000 0.882 283 Q CB 1.093 29.855 28.738 0.040 0.000 1.235 283 Q HN 0.533 nan 8.270 nan 0.000 0.439 284 T N 1.122 115.676 114.554 -0.001 0.000 2.888 284 T HA 0.159 4.519 4.350 0.016 0.000 0.288 284 T C -0.089 174.560 174.700 -0.085 0.000 1.063 284 T CA -0.301 61.726 62.100 -0.122 0.000 1.010 284 T CB 0.792 69.487 68.868 -0.290 0.000 1.214 284 T HN 0.784 nan 8.240 nan 0.000 0.533 285 D N -0.193 120.148 120.400 -0.098 0.000 2.378 285 D HA -0.037 4.612 4.640 0.016 0.000 0.222 285 D C 1.200 177.460 176.300 -0.066 0.000 0.980 285 D CA 1.064 55.020 54.000 -0.073 0.000 0.907 285 D CB 0.026 40.783 40.800 -0.071 0.000 0.899 285 D HN 0.375 nan 8.370 nan 0.000 0.527 286 T N -1.023 113.484 114.554 -0.077 0.000 3.098 286 T HA 0.146 4.505 4.350 0.016 0.000 0.246 286 T C 0.803 175.472 174.700 -0.051 0.000 0.983 286 T CA 0.159 62.220 62.100 -0.065 0.000 1.094 286 T CB 1.253 70.074 68.868 -0.079 0.000 1.035 286 T HN 0.374 nan 8.240 nan 0.000 0.456 287 R N -0.135 120.331 120.500 -0.057 0.000 2.826 287 R HA 0.462 4.811 4.340 0.016 0.000 0.269 287 R C -1.766 174.522 176.300 -0.019 0.000 1.031 287 R CA -0.722 55.358 56.100 -0.033 0.000 0.900 287 R CB 0.474 30.758 30.300 -0.027 0.000 1.318 287 R HN -0.102 nan 8.270 nan 0.000 0.447 288 T N 1.395 115.952 114.554 0.005 0.000 2.744 288 T HA 0.380 4.740 4.350 0.016 0.000 0.291 288 T C -0.397 174.333 174.700 0.051 0.000 0.957 288 T CA -0.521 61.599 62.100 0.035 0.000 1.002 288 T CB 1.260 70.147 68.868 0.032 0.000 0.919 288 T HN 0.290 nan 8.240 nan 0.000 0.468 289 V N 4.899 124.871 119.914 0.097 0.000 2.364 289 V HA 0.265 4.395 4.120 0.016 0.000 0.272 289 V C 0.510 176.682 176.094 0.130 0.000 1.036 289 V CA -0.800 61.571 62.300 0.118 0.000 0.880 289 V CB 0.896 32.830 31.823 0.184 0.000 0.991 289 V HN 0.791 nan 8.190 nan 0.000 0.460 290 E N 3.143 123.403 120.200 0.099 0.000 2.319 290 E HA 0.436 4.795 4.350 0.016 0.000 0.268 290 E C 0.939 177.605 176.600 0.109 0.000 1.050 290 E CA -0.187 56.269 56.400 0.092 0.000 0.878 290 E CB 1.878 31.624 29.700 0.077 0.000 1.066 290 E HN 0.633 nan 8.360 nan 0.000 0.406 291 A N 1.572 124.452 122.820 0.100 0.000 2.066 291 A HA -0.133 4.197 4.320 0.016 0.000 0.218 291 A C 1.992 179.680 177.584 0.174 0.000 1.157 291 A CA 1.327 53.433 52.037 0.116 0.000 0.670 291 A CB -0.417 18.627 19.000 0.073 0.000 0.804 291 A HN 0.555 nan 8.150 nan 0.000 0.453 292 S N 0.273 116.064 115.700 0.152 0.000 2.507 292 S HA -0.060 4.420 4.470 0.016 0.000 0.235 292 S C 0.452 175.209 174.600 0.261 0.000 0.988 292 S CA 0.282 58.606 58.200 0.206 0.000 0.944 292 S CB -0.405 62.872 63.200 0.129 0.000 0.762 292 S HN 0.668 nan 8.310 nan 0.000 0.526 293 E N 2.076 122.391 120.200 0.192 0.000 2.390 293 E HA 0.209 4.568 4.350 0.016 0.000 0.261 293 E C 0.221 176.883 176.600 0.102 0.000 1.076 293 E CA 0.084 56.559 56.400 0.126 0.000 0.905 293 E CB 0.488 30.243 29.700 0.092 0.000 0.984 293 E HN 0.571 nan 8.360 nan 0.000 0.427 294 D N 2.449 122.832 120.400 -0.028 0.000 1.821 294 D HA -0.054 4.595 4.640 0.016 0.000 0.307 294 D C -0.479 175.809 176.300 -0.021 0.000 1.054 294 D CA -0.316 53.589 54.000 -0.160 0.000 0.832 294 D CB -0.017 40.666 40.800 -0.195 0.000 1.150 294 D HN 0.065 nan 8.370 nan 0.000 0.407 295 K N 0.348 120.751 120.400 0.005 0.000 3.739 295 K HA -0.227 4.103 4.320 0.016 0.000 0.450 295 K C -0.446 176.233 176.600 0.132 0.000 1.060 295 K CA 0.217 56.548 56.287 0.073 0.000 0.888 295 K CB -0.978 31.558 32.500 0.060 0.000 1.828 295 K HN 0.373 nan 8.250 nan 0.000 0.288 296 F N 2.020 122.008 119.950 0.062 0.000 2.595 296 F HA -0.025 4.511 4.527 0.016 0.000 0.359 296 F C 0.811 176.705 175.800 0.156 0.000 1.147 296 F CA 1.109 59.176 58.000 0.110 0.000 1.341 296 F CB 0.682 39.750 39.000 0.113 0.000 1.104 296 F HN 0.411 nan 8.300 nan 0.000 0.603 297 T N 3.187 117.326 114.554 -0.692 0.000 3.047 297 T HA 0.641 5.000 4.350 0.016 0.000 0.340 297 T C -0.699 173.762 174.700 -0.398 0.000 1.421 297 T CA -0.235 61.737 62.100 -0.213 0.000 1.090 297 T CB 1.303 70.212 68.868 0.067 0.000 1.292 297 T HN 1.115 nan 8.240 nan 0.000 0.480 298 G N 1.749 110.642 108.800 0.155 0.000 2.356 298 G HA2 0.600 4.569 3.960 0.016 0.000 0.294 298 G HA3 0.600 4.569 3.960 0.016 0.000 0.294 298 G C -2.152 172.988 174.900 0.400 0.000 1.423 298 G CA -0.687 44.450 45.100 0.061 0.000 0.806 298 G HN 0.845 nan 8.290 nan 0.000 0.527 299 F N -1.248 118.793 119.950 0.152 0.000 2.629 299 F HA 0.851 5.387 4.527 0.016 0.000 0.316 299 F C -0.712 175.248 175.800 0.265 0.000 1.081 299 F CA -1.630 56.530 58.000 0.266 0.000 0.954 299 F CB 1.596 40.689 39.000 0.155 0.000 1.337 299 F HN 0.406 nan 8.300 nan 0.000 0.474 300 V N 2.633 122.832 119.914 0.476 0.000 2.439 300 V HA 0.232 4.362 4.120 0.016 0.000 0.282 300 V C -0.026 176.303 176.094 0.392 0.000 1.039 300 V CA -0.269 62.192 62.300 0.269 0.000 0.913 300 V CB 0.942 32.887 31.823 0.203 0.000 0.983 300 V HN 0.851 nan 8.190 nan 0.000 0.460 301 F N 2.179 122.268 119.950 0.231 0.000 2.746 301 F HA 0.598 5.134 4.527 0.016 0.000 0.320 301 F C 0.226 176.092 175.800 0.111 0.000 1.097 301 F CA -0.618 57.514 58.000 0.219 0.000 1.195 301 F CB 0.262 39.429 39.000 0.277 0.000 1.056 301 F HN 0.387 nan 8.300 nan 0.000 0.562 302 K N 1.221 121.428 120.400 -0.321 0.000 2.569 302 K HA 0.552 4.881 4.320 0.016 0.000 0.259 302 K C -2.188 174.363 176.600 -0.081 0.000 0.932 302 K CA -0.555 55.605 56.287 -0.211 0.000 0.833 302 K CB 2.132 34.417 32.500 -0.359 0.000 1.340 302 K HN 0.237 nan 8.250 nan 0.000 0.429 303 I N 3.615 124.178 120.570 -0.011 0.000 2.439 303 I HA 0.168 4.348 4.170 0.016 0.000 0.285 303 I C -0.187 175.964 176.117 0.056 0.000 1.021 303 I CA -0.875 60.436 61.300 0.018 0.000 1.091 303 I CB 2.019 40.008 38.000 -0.019 0.000 1.242 303 I HN 0.691 nan 8.210 nan 0.000 0.439 304 Q N 4.235 124.119 119.800 0.140 0.000 2.436 304 Q HA 0.094 4.444 4.340 0.016 0.000 0.326 304 Q C 0.075 176.100 176.000 0.041 0.000 1.079 304 Q CA -0.063 55.818 55.803 0.131 0.000 1.049 304 Q CB 0.706 29.541 28.738 0.161 0.000 1.047 304 Q HN 0.744 nan 8.270 nan 0.000 0.386 305 A N 4.942 127.773 122.820 0.018 0.000 2.371 305 A HA 0.304 4.634 4.320 0.016 0.000 0.257 305 A C -0.332 177.261 177.584 0.015 0.000 1.089 305 A CA 0.071 52.110 52.037 0.004 0.000 0.794 305 A CB 0.186 19.176 19.000 -0.017 0.000 1.029 305 A HN 1.096 nan 8.150 nan 0.000 0.488 306 N N -0.876 117.833 118.700 0.014 0.000 4.065 306 N HA -0.114 4.635 4.740 0.016 0.000 0.309 306 N C -0.558 174.960 175.510 0.014 0.000 2.189 306 N CA 1.004 54.064 53.050 0.016 0.000 2.863 306 N CB -0.743 37.755 38.487 0.020 0.000 0.362 306 N HN 0.899 nan 8.380 nan 0.000 0.685 307 M N -0.077 119.527 119.600 0.005 0.000 2.063 307 M HA 0.469 4.958 4.480 0.016 0.000 0.348 307 M C 0.141 176.443 176.300 0.005 0.000 1.180 307 M CA -0.218 55.082 55.300 -0.001 0.000 1.059 307 M CB 1.484 34.072 32.600 -0.020 0.000 1.544 307 M HN 0.550 nan 8.290 nan 0.000 0.447 308 D N 3.608 124.020 120.400 0.020 0.000 3.161 308 D HA 0.321 4.970 4.640 0.016 0.000 0.287 308 D C -1.225 175.099 176.300 0.040 0.000 1.343 308 D CA 0.623 54.639 54.000 0.026 0.000 1.070 308 D CB -0.188 40.631 40.800 0.031 0.000 1.188 308 D HN 0.427 nan 8.370 nan 0.000 0.409 309 P HA -0.250 nan 4.420 nan 0.000 0.251 309 P C 0.209 177.547 177.300 0.063 0.000 0.832 309 P CA 1.699 64.836 63.100 0.063 0.000 1.108 309 P CB 0.019 31.769 31.700 0.084 0.000 0.773 310 K N -3.105 117.343 120.400 0.079 0.000 2.353 310 K HA 0.128 4.458 4.320 0.016 0.000 0.195 310 K C 0.945 177.650 176.600 0.175 0.000 1.031 310 K CA 0.128 56.467 56.287 0.087 0.000 1.079 310 K CB 0.349 32.879 32.500 0.049 0.000 0.857 310 K HN 0.382 nan 8.250 nan 0.000 0.535 311 H N -0.665 118.430 119.070 0.042 0.000 3.870 311 H HA 0.217 4.783 4.556 0.016 0.000 0.354 311 H C -0.562 174.819 175.328 0.089 0.000 1.614 311 H CA -0.729 55.360 56.048 0.067 0.000 1.119 311 H CB 0.857 30.674 29.762 0.092 0.000 1.548 311 H HN -0.144 nan 8.280 nan 0.000 0.751 312 R N 0.593 121.084 120.500 -0.015 0.000 2.555 312 R HA 0.144 4.493 4.340 0.016 0.000 0.272 312 R C -0.346 175.967 176.300 0.022 0.000 1.089 312 R CA 0.122 56.216 56.100 -0.011 0.000 1.126 312 R CB -0.071 30.198 30.300 -0.051 0.000 1.250 312 R HN 0.340 nan 8.270 nan 0.000 0.551 313 D N 2.496 122.916 120.400 0.034 0.000 2.191 313 D HA -0.195 4.455 4.640 0.016 0.000 0.195 313 D C 0.312 176.520 176.300 -0.153 0.000 1.003 313 D CA 1.013 54.939 54.000 -0.123 0.000 0.867 313 D CB -0.046 40.812 40.800 0.096 0.000 0.926 313 D HN 0.253 nan 8.370 nan 0.000 0.450 314 R N -0.319 120.134 120.500 -0.078 0.000 3.184 314 R HA -0.180 4.170 4.340 0.016 0.000 0.242 314 R C -0.442 175.771 176.300 -0.146 0.000 0.907 314 R CA -0.040 56.014 56.100 -0.077 0.000 0.618 314 R CB -2.333 27.931 30.300 -0.060 0.000 1.016 314 R HN 0.092 nan 8.270 nan 0.000 0.469 315 V N 0.917 120.703 119.914 -0.214 0.000 2.717 315 V HA -0.131 3.999 4.120 0.016 0.000 0.302 315 V C 1.398 177.177 176.094 -0.525 0.000 1.097 315 V CA 1.262 63.295 62.300 -0.444 0.000 1.262 315 V CB 0.301 31.758 31.823 -0.610 0.000 0.846 315 V HN 0.485 nan 8.190 nan 0.000 0.485 316 A N 7.203 129.744 122.820 -0.465 0.000 2.302 316 A HA 0.652 4.982 4.320 0.016 0.000 0.295 316 A C -0.465 176.809 177.584 -0.516 0.000 1.235 316 A CA -0.402 51.420 52.037 -0.358 0.000 0.876 316 A CB -0.133 18.754 19.000 -0.188 0.000 1.133 316 A HN 0.617 nan 8.150 nan 0.000 0.533 317 F N 2.268 121.996 119.950 -0.370 0.000 2.424 317 F HA 0.440 4.977 4.527 0.017 0.000 0.356 317 F C 0.503 175.964 175.800 -0.565 0.000 1.110 317 F CA 0.124 57.837 58.000 -0.478 0.000 1.161 317 F CB 1.169 39.755 39.000 -0.689 0.000 1.115 317 F HN 0.588 nan 8.300 nan 0.000 0.507 318 M N 4.548 124.082 119.600 -0.110 0.000 2.383 318 M HA 0.550 5.039 4.480 0.016 0.000 0.325 318 M C -0.668 175.669 176.300 0.062 0.000 1.092 318 M CA -0.979 54.295 55.300 -0.043 0.000 0.961 318 M CB 1.447 33.996 32.600 -0.084 0.000 1.672 318 M HN 0.546 nan 8.290 nan 0.000 0.438 319 R N 3.836 124.246 120.500 -0.149 0.000 2.265 319 R HA 0.521 4.871 4.340 0.016 0.000 0.319 319 R C -1.930 174.140 176.300 -0.383 0.000 1.006 319 R CA -0.415 55.493 56.100 -0.320 0.000 0.880 319 R CB 0.884 30.769 30.300 -0.692 0.000 1.077 319 R HN 0.598 nan 8.270 nan 0.000 0.454 320 V N 6.576 126.388 119.914 -0.171 0.000 2.427 320 V HA 0.052 4.182 4.120 0.016 0.000 0.268 320 V C 0.958 176.934 176.094 -0.196 0.000 1.046 320 V CA -0.211 61.976 62.300 -0.189 0.000 0.970 320 V CB 1.074 32.907 31.823 0.017 0.000 1.001 320 V HN 0.786 nan 8.190 nan 0.000 0.476 321 V N 3.517 123.290 119.914 -0.234 0.000 2.599 321 V HA 0.080 4.210 4.120 0.016 0.000 0.245 321 V C 0.923 177.017 176.094 -0.001 0.000 1.046 321 V CA 1.381 63.626 62.300 -0.092 0.000 1.065 321 V CB 0.362 32.164 31.823 -0.036 0.000 0.703 321 V HN 0.969 nan 8.190 nan 0.000 0.464 322 S N -1.770 113.901 115.700 -0.048 0.000 2.588 322 S HA 0.707 5.186 4.470 0.016 0.000 0.269 322 S C -0.198 174.420 174.600 0.029 0.000 1.157 322 S CA -0.047 58.187 58.200 0.057 0.000 0.824 322 S CB 1.665 64.926 63.200 0.102 0.000 1.126 322 S HN 1.594 nan 8.310 nan 0.000 0.464 323 G N 0.801 109.733 108.800 0.219 0.000 2.828 323 G HA2 -0.017 3.953 3.960 0.016 0.000 0.463 323 G HA3 -0.017 3.953 3.960 0.016 0.000 0.463 323 G C -0.856 174.232 174.900 0.313 0.000 1.394 323 G CA -0.135 45.090 45.100 0.209 0.000 0.862 323 G HN 0.990 nan 8.290 nan 0.000 0.540 324 K N -0.396 120.131 120.400 0.212 0.000 2.292 324 K HA 0.563 4.893 4.320 0.016 0.000 0.257 324 K C -0.787 175.893 176.600 0.134 0.000 0.940 324 K CA -0.955 55.358 56.287 0.042 0.000 0.811 324 K CB 1.260 33.634 32.500 -0.211 0.000 1.120 324 K HN 0.747 nan 8.250 nan 0.000 0.428 325 Y N 3.713 124.009 120.300 -0.007 0.000 2.336 325 Y HA 0.201 4.761 4.550 0.016 0.000 0.335 325 Y C -0.767 175.020 175.900 -0.188 0.000 1.046 325 Y CA 0.095 58.063 58.100 -0.220 0.000 1.198 325 Y CB 0.832 39.104 38.460 -0.312 0.000 1.182 325 Y HN 0.587 nan 8.280 nan 0.000 0.502 326 E N 5.056 124.691 120.200 -0.941 0.000 2.299 326 E HA 0.193 4.552 4.350 0.016 0.000 0.265 326 E C 0.129 176.065 176.600 -1.107 0.000 0.911 326 E CA -1.053 54.849 56.400 -0.831 0.000 0.789 326 E CB 2.387 31.851 29.700 -0.394 0.000 1.246 326 E HN 0.672 nan 8.360 nan 0.000 0.427 327 K N 1.412 121.425 120.400 -0.644 0.000 2.020 327 K HA -0.146 4.184 4.320 0.016 0.000 0.212 327 K C 1.618 178.081 176.600 -0.230 0.000 1.050 327 K CA 1.890 57.951 56.287 -0.376 0.000 0.929 327 K CB -0.512 31.894 32.500 -0.156 0.000 0.714 327 K HN 0.679 nan 8.250 nan 0.000 0.443 328 G N 1.192 109.879 108.800 -0.187 0.000 2.848 328 G HA2 -0.065 3.904 3.960 0.016 0.000 0.208 328 G HA3 -0.065 3.904 3.960 0.016 0.000 0.208 328 G C 0.608 175.447 174.900 -0.100 0.000 1.152 328 G CA -0.265 44.770 45.100 -0.108 0.000 0.789 328 G HN 0.323 nan 8.290 nan 0.000 0.531 329 M N 0.552 120.054 119.600 -0.162 0.000 2.252 329 M HA 0.215 4.704 4.480 0.016 0.000 0.329 329 M C 0.010 176.282 176.300 -0.047 0.000 1.101 329 M CA 0.357 55.580 55.300 -0.129 0.000 1.117 329 M CB 0.558 33.024 32.600 -0.222 0.000 1.563 329 M HN -0.066 nan 8.290 nan 0.000 0.445 330 K N 5.230 125.616 120.400 -0.023 0.000 2.293 330 K HA 0.535 4.864 4.320 0.016 0.000 0.267 330 K C -1.568 175.061 176.600 0.048 0.000 1.010 330 K CA -0.439 55.857 56.287 0.016 0.000 0.875 330 K CB 0.747 33.256 32.500 0.016 0.000 1.106 330 K HN 0.705 nan 8.250 nan 0.000 0.450 331 L N 2.495 123.771 121.223 0.088 0.000 2.313 331 L HA 0.598 4.947 4.340 0.016 0.000 0.268 331 L C -0.283 176.708 176.870 0.201 0.000 1.010 331 L CA -1.384 53.560 54.840 0.173 0.000 0.814 331 L CB 1.586 43.782 42.059 0.228 0.000 1.304 331 L HN 0.441 nan 8.230 nan 0.000 0.441 332 R N 1.426 122.056 120.500 0.216 0.000 2.265 332 R HA 0.205 4.555 4.340 0.016 0.000 0.328 332 R C -0.677 175.651 176.300 0.048 0.000 0.969 332 R CA -0.279 55.894 56.100 0.121 0.000 0.832 332 R CB 0.917 31.264 30.300 0.079 0.000 1.139 332 R HN 0.531 nan 8.270 nan 0.000 0.457 333 Q N 4.504 124.262 119.800 -0.070 0.000 2.472 333 Q HA 0.120 4.470 4.340 0.016 0.000 0.227 333 Q C 0.305 176.146 176.000 -0.264 0.000 1.156 333 Q CA -0.290 55.255 55.803 -0.430 0.000 0.924 333 Q CB 0.808 29.347 28.738 -0.333 0.000 1.354 333 Q HN 0.703 nan 8.270 nan 0.000 0.525 334 V N 3.902 123.669 119.914 -0.246 0.000 2.380 334 V HA -0.338 3.792 4.120 0.016 0.000 0.251 334 V C 2.276 178.305 176.094 -0.109 0.000 1.063 334 V CA 2.370 64.594 62.300 -0.128 0.000 1.055 334 V CB -0.625 31.140 31.823 -0.097 0.000 0.657 334 V HN 0.749 nan 8.190 nan 0.000 0.455 335 R N 0.704 121.123 120.500 -0.135 0.000 2.083 335 R HA -0.187 4.163 4.340 0.016 0.000 0.237 335 R C 2.271 178.535 176.300 -0.060 0.000 1.137 335 R CA 2.204 58.254 56.100 -0.083 0.000 0.951 335 R CB -0.353 29.902 30.300 -0.074 0.000 0.851 335 R HN 0.703 nan 8.270 nan 0.000 0.434 336 T N -3.213 111.301 114.554 -0.067 0.000 3.060 336 T HA 0.340 4.700 4.350 0.016 0.000 0.249 336 T C 0.929 175.612 174.700 -0.029 0.000 1.079 336 T CA 0.341 62.419 62.100 -0.036 0.000 1.013 336 T CB 0.563 69.418 68.868 -0.022 0.000 0.975 336 T HN 0.365 nan 8.240 nan 0.000 0.518 337 A N 0.876 123.672 122.820 -0.040 0.000 2.832 337 A HA -0.153 4.176 4.320 0.016 0.000 0.280 337 A C 0.338 177.916 177.584 -0.010 0.000 1.464 337 A CA 0.835 52.857 52.037 -0.025 0.000 0.804 337 A CB -2.058 16.931 19.000 -0.019 0.000 1.020 337 A HN 0.515 nan 8.150 nan 0.000 0.563 338 K N 0.499 120.895 120.400 -0.006 0.000 2.166 338 K HA 0.534 4.864 4.320 0.016 0.000 0.245 338 K C -0.745 175.873 176.600 0.030 0.000 0.967 338 K CA -0.784 55.511 56.287 0.013 0.000 0.863 338 K CB 0.841 33.353 32.500 0.020 0.000 1.107 338 K HN 0.329 nan 8.250 nan 0.000 0.436 339 D N 1.242 121.665 120.400 0.038 0.000 2.198 339 D HA 0.268 4.917 4.640 0.016 0.000 0.245 339 D C -0.629 175.712 176.300 0.067 0.000 1.079 339 D CA -0.331 53.702 54.000 0.055 0.000 0.854 339 D CB 1.645 42.469 40.800 0.041 0.000 1.148 339 D HN -0.014 nan 8.370 nan 0.000 0.456 340 V N 2.773 122.746 119.914 0.098 0.000 2.487 340 V HA 0.247 4.377 4.120 0.016 0.000 0.298 340 V C 0.206 176.346 176.094 0.078 0.000 1.028 340 V CA -0.872 61.490 62.300 0.103 0.000 0.860 340 V CB 2.113 34.040 31.823 0.174 0.000 0.991 340 V HN 0.241 nan 8.190 nan 0.000 0.427 341 V N 6.401 126.345 119.914 0.051 0.000 2.432 341 V HA 0.429 4.559 4.120 0.016 0.000 0.275 341 V C 0.017 176.130 176.094 0.032 0.000 1.043 341 V CA -0.203 62.116 62.300 0.031 0.000 0.925 341 V CB 1.467 33.300 31.823 0.016 0.000 0.985 341 V HN 0.671 nan 8.190 nan 0.000 0.466 342 I N 4.430 125.018 120.570 0.029 0.000 2.388 342 I HA 0.247 4.426 4.170 0.016 0.000 0.281 342 I C 0.918 177.073 176.117 0.063 0.000 1.046 342 I CA 0.092 61.413 61.300 0.036 0.000 1.187 342 I CB 1.408 39.409 38.000 0.002 0.000 1.351 342 I HN 0.648 nan 8.210 nan 0.000 0.472 343 S N 2.702 118.427 115.700 0.041 0.000 2.441 343 S HA 0.018 4.497 4.470 0.016 0.000 0.224 343 S C 0.438 175.068 174.600 0.049 0.000 1.043 343 S CA 0.165 58.382 58.200 0.028 0.000 0.948 343 S CB -0.027 63.175 63.200 0.004 0.000 0.810 343 S HN 0.707 nan 8.310 nan 0.000 0.504 344 D N 1.264 121.704 120.400 0.067 0.000 2.408 344 D HA 0.604 5.254 4.640 0.016 0.000 0.243 344 D C -0.991 175.390 176.300 0.136 0.000 1.075 344 D CA -0.571 53.489 54.000 0.101 0.000 0.832 344 D CB 1.704 42.546 40.800 0.070 0.000 1.162 344 D HN 0.136 nan 8.370 nan 0.000 0.515 345 A N 3.556 126.395 122.820 0.031 0.000 2.429 345 A HA 0.398 4.727 4.320 0.016 0.000 0.289 345 A C -0.241 177.189 177.584 -0.258 0.000 1.043 345 A CA -0.828 51.094 52.037 -0.191 0.000 0.722 345 A CB 0.979 19.768 19.000 -0.351 0.000 1.243 345 A HN 0.614 nan 8.150 nan 0.000 0.415 346 L N 1.906 122.880 121.223 -0.415 0.000 2.540 346 L HA 0.182 4.532 4.340 0.016 0.000 0.276 346 L C 0.567 177.056 176.870 -0.635 0.000 1.212 346 L CA 0.639 55.181 54.840 -0.496 0.000 0.893 346 L CB 0.683 42.401 42.059 -0.568 0.000 1.138 346 L HN 0.750 nan 8.230 nan 0.000 0.491 347 T N 3.385 117.551 114.554 -0.648 0.000 2.893 347 T HA 0.553 4.912 4.350 0.016 0.000 0.291 347 T C -0.574 173.718 174.700 -0.679 0.000 1.028 347 T CA -0.302 61.491 62.100 -0.512 0.000 0.995 347 T CB 0.798 69.570 68.868 -0.159 0.000 1.051 347 T HN 0.215 nan 8.240 nan 0.000 0.470 348 F N 3.388 123.371 119.950 0.055 0.000 2.471 348 F HA 0.422 4.958 4.527 0.016 0.000 0.318 348 F C 0.656 176.502 175.800 0.077 0.000 1.308 348 F CA -1.072 56.969 58.000 0.069 0.000 1.162 348 F CB 0.161 39.207 39.000 0.077 0.000 1.383 348 F HN 0.184 nan 8.300 nan 0.000 0.552 349 M N 1.032 120.725 119.600 0.155 0.000 2.167 349 M HA 0.392 4.882 4.480 0.016 0.000 0.300 349 M C 0.848 177.235 176.300 0.146 0.000 1.171 349 M CA -0.048 55.334 55.300 0.137 0.000 1.171 349 M CB 0.361 33.018 32.600 0.095 0.000 1.396 349 M HN 0.445 nan 8.290 nan 0.000 0.466 357 E N 0.858 121.085 120.200 0.045 0.000 2.257 357 E HA -0.200 4.159 4.350 0.016 0.000 0.217 357 E C -0.071 176.571 176.600 0.070 0.000 1.248 357 E CA 1.231 57.667 56.400 0.060 0.000 0.691 357 E CB -0.574 29.148 29.700 0.036 0.000 1.185 357 E HN 0.971 nan 8.360 nan 0.000 0.377 358 E N -0.946 119.320 120.200 0.110 0.000 2.429 358 E HA 0.877 5.236 4.350 0.016 0.000 0.276 358 E C -0.838 175.880 176.600 0.196 0.000 0.953 358 E CA -0.938 55.523 56.400 0.102 0.000 0.787 358 E CB 2.184 31.900 29.700 0.027 0.000 1.307 358 E HN 0.180 nan 8.360 nan 0.000 0.458 359 A N 0.778 123.694 122.820 0.160 0.000 2.572 359 A HA 0.674 5.004 4.320 0.016 0.000 0.295 359 A C -1.973 175.624 177.584 0.022 0.000 1.072 359 A CA -0.626 51.529 52.037 0.197 0.000 0.691 359 A CB 0.986 20.130 19.000 0.241 0.000 1.291 359 A HN 0.547 nan 8.150 nan 0.000 0.404 360 Y N 0.445 120.867 120.300 0.203 0.000 2.659 360 Y HA 0.624 5.184 4.550 0.016 0.000 0.333 360 Y C -2.107 173.871 175.900 0.132 0.000 1.064 360 Y CA -2.447 55.763 58.100 0.184 0.000 1.141 360 Y CB 1.700 40.215 38.460 0.090 0.000 1.316 360 Y HN 0.455 nan 8.280 nan 0.000 0.509 361 P HA 0.105 nan 4.420 nan 0.000 0.266 361 P C 0.558 177.907 177.300 0.081 0.000 1.195 361 P CA 1.537 64.707 63.100 0.117 0.000 0.768 361 P CB 0.808 32.568 31.700 0.099 0.000 0.838 362 G N 2.172 110.990 108.800 0.031 0.000 2.308 362 G HA2 -0.174 3.795 3.960 0.016 0.000 0.221 362 G HA3 -0.174 3.795 3.960 0.016 0.000 0.221 362 G C -0.014 174.902 174.900 0.027 0.000 1.032 362 G CA -0.157 44.951 45.100 0.013 0.000 0.623 362 G HN 0.520 nan 8.290 nan 0.000 0.506 363 D N 1.194 121.644 120.400 0.083 0.000 2.360 363 D HA 0.517 5.167 4.640 0.016 0.000 0.242 363 D C 0.830 177.197 176.300 0.112 0.000 1.184 363 D CA 0.120 54.191 54.000 0.118 0.000 0.930 363 D CB 0.795 41.707 40.800 0.187 0.000 1.161 363 D HN 0.207 nan 8.370 nan 0.000 0.447 364 I N 1.191 121.862 120.570 0.169 0.000 2.493 364 I HA 0.344 4.524 4.170 0.016 0.000 0.298 364 I C -0.128 176.190 176.117 0.336 0.000 0.998 364 I CA -0.694 60.740 61.300 0.224 0.000 1.137 364 I CB 1.220 39.332 38.000 0.186 0.000 1.310 364 I HN 0.126 nan 8.210 nan 0.000 0.445 365 L N 3.294 124.646 121.223 0.214 0.000 2.362 365 L HA 0.723 5.073 4.340 0.016 0.000 0.271 365 L C 0.233 177.077 176.870 -0.045 0.000 1.002 365 L CA -0.115 54.739 54.840 0.023 0.000 0.818 365 L CB 2.098 44.030 42.059 -0.212 0.000 1.298 365 L HN 0.707 nan 8.230 nan 0.000 0.420 366 G N 4.445 113.105 108.800 -0.233 0.000 2.547 366 G HA2 0.505 4.475 3.960 0.016 0.000 0.327 366 G HA3 0.505 4.475 3.960 0.016 0.000 0.327 366 G C -0.693 173.840 174.900 -0.611 0.000 1.118 366 G CA -0.426 44.359 45.100 -0.525 0.000 1.022 366 G HN 0.448 nan 8.290 nan 0.000 0.464 367 L N 2.941 123.828 121.223 -0.560 0.000 2.380 367 L HA 0.247 4.596 4.340 0.016 0.000 0.273 367 L C 0.290 176.866 176.870 -0.491 0.000 1.138 367 L CA -0.875 53.668 54.840 -0.496 0.000 0.832 367 L CB 0.743 42.542 42.059 -0.432 0.000 1.124 367 L HN 0.432 nan 8.230 nan 0.000 0.454 368 H N 3.790 122.712 119.070 -0.247 0.000 2.722 368 H HA 0.141 4.707 4.556 0.016 0.000 0.328 368 H C -0.375 174.798 175.328 -0.259 0.000 1.067 368 H CA 0.166 56.069 56.048 -0.242 0.000 1.447 368 H CB 0.946 30.627 29.762 -0.136 0.000 1.469 368 H HN 0.543 nan 8.280 nan 0.000 0.544 369 N N 2.772 121.296 118.700 -0.294 0.000 2.371 369 N HA 0.062 4.811 4.740 0.016 0.000 0.291 369 N C -1.065 174.185 175.510 -0.433 0.000 1.053 369 N CA -0.435 52.470 53.050 -0.242 0.000 0.870 369 N CB 1.282 39.678 38.487 -0.153 0.000 1.503 369 N HN 0.597 nan 8.380 nan 0.000 0.485 370 H N 2.592 121.697 119.070 0.058 0.000 2.587 370 H HA 0.254 4.820 4.556 0.016 0.000 0.245 370 H C 0.816 176.169 175.328 0.042 0.000 1.238 370 H CA 0.495 56.580 56.048 0.061 0.000 0.963 370 H CB 0.776 30.586 29.762 0.081 0.000 1.904 370 H HN 0.956 nan 8.280 nan 0.000 0.584 371 G N 1.119 109.971 108.800 0.086 0.000 2.176 371 G HA2 -0.352 3.618 3.960 0.016 0.000 0.232 371 G HA3 -0.352 3.618 3.960 0.016 0.000 0.232 371 G C 1.236 176.179 174.900 0.071 0.000 0.986 371 G CA 0.717 45.859 45.100 0.069 0.000 0.643 371 G HN 0.497 nan 8.290 nan 0.000 0.522 372 T N -1.633 112.970 114.554 0.080 0.000 3.022 372 T HA 0.574 4.933 4.350 0.016 0.000 0.250 372 T C 0.973 175.729 174.700 0.094 0.000 1.060 372 T CA 0.324 62.474 62.100 0.084 0.000 1.013 372 T CB 0.527 69.454 68.868 0.099 0.000 0.982 372 T HN 0.343 nan 8.240 nan 0.000 0.508 373 I N 1.707 122.333 120.570 0.093 0.000 2.498 373 I HA 0.538 4.718 4.170 0.016 0.000 0.301 373 I C -0.161 176.010 176.117 0.090 0.000 0.984 373 I CA -0.681 60.692 61.300 0.121 0.000 1.204 373 I CB 1.385 39.457 38.000 0.120 0.000 1.362 373 I HN 0.247 nan 8.210 nan 0.000 0.471 374 Q N 3.283 123.147 119.800 0.107 0.000 2.423 374 Q HA 0.505 4.854 4.340 0.016 0.000 0.278 374 Q C -0.751 175.315 176.000 0.110 0.000 1.097 374 Q CA -0.993 54.872 55.803 0.103 0.000 0.809 374 Q CB 3.225 32.034 28.738 0.119 0.000 1.391 374 Q HN 0.375 nan 8.270 nan 0.000 0.428 375 I N 1.637 122.241 120.570 0.057 0.000 2.826 375 I HA -0.079 4.100 4.170 0.016 0.000 0.295 375 I C 1.326 177.505 176.117 0.104 0.000 1.213 375 I CA 1.909 63.202 61.300 -0.011 0.000 1.436 375 I CB -0.340 37.485 38.000 -0.293 0.000 1.348 375 I HN 1.058 nan 8.210 nan 0.000 0.570 376 G N 5.085 113.989 108.800 0.173 0.000 2.157 376 G HA2 -0.201 3.769 3.960 0.016 0.000 0.239 376 G HA3 -0.201 3.769 3.960 0.016 0.000 0.239 376 G C 0.036 175.074 174.900 0.230 0.000 0.982 376 G CA -0.345 44.887 45.100 0.220 0.000 0.650 376 G HN 0.572 nan 8.290 nan 0.000 0.527 377 D N 1.628 122.166 120.400 0.230 0.000 2.343 377 D HA 0.488 5.138 4.640 0.016 0.000 0.255 377 D C 0.815 177.259 176.300 0.239 0.000 1.187 377 D CA 0.623 54.711 54.000 0.146 0.000 0.875 377 D CB 0.938 41.804 40.800 0.110 0.000 1.136 377 D HN 0.121 nan 8.370 nan 0.000 0.469 378 T N 2.404 117.043 114.554 0.141 0.000 2.909 378 T HA 0.454 4.813 4.350 0.016 0.000 0.289 378 T C -0.178 174.533 174.700 0.017 0.000 1.005 378 T CA -0.184 62.080 62.100 0.274 0.000 1.084 378 T CB 0.421 69.422 68.868 0.222 0.000 0.975 378 T HN 0.104 nan 8.240 nan 0.000 0.509 379 F N 1.396 121.512 119.950 0.276 0.000 2.557 379 F HA 0.522 5.059 4.527 0.016 0.000 0.316 379 F C 0.767 176.747 175.800 0.299 0.000 1.141 379 F CA -0.707 57.451 58.000 0.264 0.000 0.922 379 F CB 2.247 41.437 39.000 0.317 0.000 1.194 379 F HN 0.716 nan 8.300 nan 0.000 0.443 380 T N -1.244 113.541 114.554 0.385 0.000 2.604 380 T HA 0.380 4.739 4.350 0.016 0.000 0.267 380 T C -0.217 174.660 174.700 0.295 0.000 0.923 380 T CA -0.733 61.551 62.100 0.308 0.000 1.077 380 T CB 1.657 70.611 68.868 0.143 0.000 1.392 380 T HN 0.536 nan 8.240 nan 0.000 0.531 381 Q N 0.098 120.021 119.800 0.205 0.000 2.206 381 Q HA 0.451 4.800 4.340 0.016 0.000 0.265 381 Q C 0.914 176.969 176.000 0.092 0.000 0.866 381 Q CA 0.124 56.017 55.803 0.151 0.000 1.073 381 Q CB 0.656 29.475 28.738 0.136 0.000 1.165 381 Q HN 1.107 nan 8.270 nan 0.000 0.465 382 G N 1.112 109.961 108.800 0.082 0.000 2.699 382 G HA2 -0.237 3.733 3.960 0.016 0.000 0.198 382 G HA3 -0.237 3.733 3.960 0.016 0.000 0.198 382 G C 0.036 174.953 174.900 0.028 0.000 1.033 382 G CA -0.520 44.607 45.100 0.046 0.000 0.728 382 G HN 0.354 nan 8.290 nan 0.000 0.484 383 E N 1.880 122.096 120.200 0.027 0.000 2.417 383 E HA 0.336 4.695 4.350 0.016 0.000 0.261 383 E C 0.221 176.811 176.600 -0.016 0.000 1.000 383 E CA 0.003 56.403 56.400 0.001 0.000 0.919 383 E CB 0.136 29.833 29.700 -0.006 0.000 0.955 383 E HN 0.168 nan 8.360 nan 0.000 0.455 384 M N 7.295 126.878 119.600 -0.029 0.000 2.206 384 M HA 0.280 4.769 4.480 0.016 0.000 0.353 384 M C -0.388 175.872 176.300 -0.066 0.000 1.242 384 M CA 0.051 55.326 55.300 -0.042 0.000 1.179 384 M CB -0.225 32.355 32.600 -0.033 0.000 1.374 384 M HN 0.584 nan 8.290 nan 0.000 0.427 385 M N 1.118 120.661 119.600 -0.094 0.000 2.721 385 M HA 0.637 5.127 4.480 0.016 0.000 0.271 385 M C -1.553 174.651 176.300 -0.160 0.000 1.259 385 M CA -1.011 54.208 55.300 -0.134 0.000 0.835 385 M CB 3.249 35.743 32.600 -0.177 0.000 1.689 385 M HN 0.336 nan 8.290 nan 0.000 0.470 386 K N 1.294 121.597 120.400 -0.160 0.000 2.413 386 K HA 0.582 4.912 4.320 0.016 0.000 0.257 386 K C -1.755 174.765 176.600 -0.133 0.000 0.946 386 K CA -0.504 55.714 56.287 -0.115 0.000 0.823 386 K CB 1.593 34.062 32.500 -0.052 0.000 1.109 386 K HN 0.643 nan 8.250 nan 0.000 0.427 387 F N 1.337 121.280 119.950 -0.012 0.000 2.553 387 F HA -0.006 4.531 4.527 0.016 0.000 0.356 387 F C 1.621 177.334 175.800 -0.146 0.000 1.142 387 F CA 0.788 58.740 58.000 -0.079 0.000 1.322 387 F CB 1.126 40.068 39.000 -0.098 0.000 1.126 387 F HN 0.439 nan 8.300 nan 0.000 0.599 388 T N 1.783 116.373 114.554 0.060 0.000 3.487 388 T HA 0.299 4.658 4.350 0.016 0.000 0.287 388 T C 0.830 175.467 174.700 -0.106 0.000 1.004 388 T CA 0.304 62.379 62.100 -0.043 0.000 0.977 388 T CB -0.472 68.373 68.868 -0.040 0.000 1.180 388 T HN 0.800 nan 8.240 nan 0.000 0.490 389 G N 1.027 109.705 108.800 -0.204 0.000 2.747 389 G HA2 0.228 4.198 3.960 0.016 0.000 0.202 389 G HA3 0.228 4.198 3.960 0.016 0.000 0.202 389 G C 0.453 175.231 174.900 -0.204 0.000 1.090 389 G CA -0.218 44.747 45.100 -0.225 0.000 0.779 389 G HN 0.552 nan 8.290 nan 0.000 0.535 390 I N 3.384 123.816 120.570 -0.230 0.000 2.494 390 I HA 0.386 4.565 4.170 0.016 0.000 0.289 390 I C -2.376 173.705 176.117 -0.061 0.000 1.106 390 I CA -2.940 58.302 61.300 -0.096 0.000 1.369 390 I CB 0.913 38.892 38.000 -0.035 0.000 1.410 390 I HN -0.072 nan 8.210 nan 0.000 0.523 391 P HA 0.376 nan 4.420 nan 0.000 0.290 391 P C -1.525 175.675 177.300 -0.166 0.000 1.302 391 P CA -0.944 62.019 63.100 -0.228 0.000 0.893 391 P CB 1.462 32.848 31.700 -0.523 0.000 1.272 392 N N -0.009 118.549 118.700 -0.236 0.000 2.407 392 N HA 0.366 5.115 4.740 0.016 0.000 0.277 392 N C -0.943 174.536 175.510 -0.052 0.000 0.995 392 N CA -0.347 52.682 53.050 -0.035 0.000 0.903 392 N CB 0.607 39.051 38.487 -0.072 0.000 1.218 392 N HN 0.237 nan 8.380 nan 0.000 0.487 393 F N 1.209 121.327 119.950 0.280 0.000 2.378 393 F HA 0.404 4.941 4.527 0.017 0.000 0.325 393 F C 1.097 177.207 175.800 0.515 0.000 1.097 393 F CA -0.863 57.364 58.000 0.378 0.000 1.079 393 F CB 0.698 39.918 39.000 0.367 0.000 1.240 393 F HN 0.334 nan 8.300 nan 0.000 0.519 394 A N 3.509 126.722 122.820 0.655 0.000 2.515 394 A HA 0.346 4.675 4.320 0.016 0.000 0.263 394 A C -2.309 175.493 177.584 0.363 0.000 1.096 394 A CA -1.258 51.043 52.037 0.440 0.000 0.769 394 A CB -1.014 18.168 19.000 0.304 0.000 1.040 394 A HN 0.371 nan 8.150 nan 0.000 0.505 395 P HA 0.110 nan 4.420 nan 0.000 0.269 395 P C 0.045 177.324 177.300 -0.034 0.000 1.209 395 P CA 0.098 63.192 63.100 -0.010 0.000 0.776 395 P CB 0.541 32.054 31.700 -0.311 0.000 0.876 396 E N 0.543 120.714 120.200 -0.047 0.000 2.476 396 E HA 0.163 4.523 4.350 0.016 0.000 0.199 396 E C -0.204 176.432 176.600 0.060 0.000 1.021 396 E CA -0.000 56.456 56.400 0.093 0.000 0.907 396 E CB 0.211 30.001 29.700 0.149 0.000 0.974 396 E HN 0.182 nan 8.360 nan 0.000 0.489 397 L N 0.647 121.765 121.223 -0.175 0.000 2.436 397 L HA 0.449 4.799 4.340 0.016 0.000 0.268 397 L C -1.154 175.616 176.870 -0.167 0.000 0.974 397 L CA -0.707 54.136 54.840 0.005 0.000 0.826 397 L CB 1.298 43.432 42.059 0.125 0.000 1.291 397 L HN -0.100 nan 8.230 nan 0.000 0.406 398 F N 3.245 123.346 119.950 0.251 0.000 2.576 398 F HA 0.819 5.356 4.527 0.016 0.000 0.313 398 F C 0.144 175.966 175.800 0.038 0.000 1.078 398 F CA -0.713 57.412 58.000 0.208 0.000 0.921 398 F CB 2.043 41.090 39.000 0.080 0.000 1.232 398 F HN 0.365 nan 8.300 nan 0.000 0.459 399 R N 0.824 121.428 120.500 0.175 0.000 2.734 399 R HA 0.515 4.865 4.340 0.016 0.000 0.271 399 R C -1.489 174.899 176.300 0.147 0.000 1.021 399 R CA -1.190 54.912 56.100 0.002 0.000 0.893 399 R CB 2.138 32.219 30.300 -0.364 0.000 1.244 399 R HN 0.686 nan 8.270 nan 0.000 0.464 400 R N 1.501 122.082 120.500 0.135 0.000 2.308 400 R HA 0.300 4.650 4.340 0.016 0.000 0.305 400 R C -0.385 176.053 176.300 0.229 0.000 1.053 400 R CA -0.513 55.686 56.100 0.164 0.000 0.957 400 R CB 0.726 31.086 30.300 0.100 0.000 1.022 400 R HN 0.472 nan 8.270 nan 0.000 0.461 401 I N 3.823 124.522 120.570 0.214 0.000 2.566 401 I HA 0.471 4.651 4.170 0.016 0.000 0.303 401 I C -0.188 175.958 176.117 0.050 0.000 0.983 401 I CA -0.424 60.965 61.300 0.148 0.000 1.235 401 I CB 1.372 39.468 38.000 0.159 0.000 1.386 401 I HN 0.725 nan 8.210 nan 0.000 0.494 402 R N 6.080 126.567 120.500 -0.021 0.000 2.808 402 R HA 0.226 4.575 4.340 0.016 0.000 0.254 402 R C -2.185 174.088 176.300 -0.045 0.000 1.145 402 R CA -0.625 55.464 56.100 -0.018 0.000 1.066 402 R CB 1.093 31.393 30.300 0.001 0.000 1.268 402 R HN 0.323 nan 8.270 nan 0.000 0.447 403 L N 4.103 125.307 121.223 -0.032 0.000 2.418 403 L HA 0.350 4.700 4.340 0.016 0.000 0.265 403 L C 1.137 177.994 176.870 -0.023 0.000 1.143 403 L CA 0.098 54.919 54.840 -0.032 0.000 0.809 403 L CB 0.735 42.781 42.059 -0.021 0.000 1.124 403 L HN 0.560 nan 8.230 nan 0.000 0.456 404 K N 0.564 120.950 120.400 -0.022 0.000 3.192 404 K HA 0.240 4.569 4.320 0.016 0.000 0.269 404 K C -0.849 175.746 176.600 -0.009 0.000 1.270 404 K CA -0.241 56.037 56.287 -0.015 0.000 1.249 404 K CB -0.257 32.234 32.500 -0.016 0.000 1.528 404 K HN 0.752 nan 8.250 nan 0.000 0.360 405 D N -1.380 119.016 120.400 -0.008 0.000 4.359 405 D HA 0.222 4.872 4.640 0.016 0.000 0.344 405 D C -2.426 173.872 176.300 -0.003 0.000 1.642 405 D CA -0.913 53.084 54.000 -0.005 0.000 0.981 405 D CB -0.456 40.342 40.800 -0.004 0.000 1.479 405 D HN -0.028 nan 8.370 nan 0.000 0.647 411 Q N 0.668 120.470 119.800 0.003 0.000 2.344 411 Q HA 0.048 4.398 4.340 0.016 0.000 0.212 411 Q C 1.403 177.372 176.000 -0.053 0.000 0.943 411 Q CA 0.216 56.016 55.803 -0.004 0.000 0.955 411 Q CB -0.079 28.680 28.738 0.034 0.000 1.000 411 Q HN 0.193 nan 8.270 nan 0.000 0.488 412 L N 0.158 121.348 121.223 -0.054 0.000 2.081 412 L HA -0.186 4.164 4.340 0.016 0.000 0.212 412 L C 1.856 178.658 176.870 -0.114 0.000 1.080 412 L CA 1.605 56.392 54.840 -0.088 0.000 0.754 412 L CB -0.416 41.614 42.059 -0.049 0.000 0.893 412 L HN 0.550 nan 8.230 nan 0.000 0.433 413 L N -0.234 120.945 121.223 -0.073 0.000 1.989 413 L HA -0.285 4.065 4.340 0.016 0.000 0.211 413 L C 2.723 179.530 176.870 -0.105 0.000 1.071 413 L CA 2.185 56.985 54.840 -0.066 0.000 0.749 413 L CB -0.537 41.502 42.059 -0.033 0.000 0.890 413 L HN 0.369 nan 8.230 nan 0.000 0.431 414 K N -0.656 119.680 120.400 -0.106 0.000 2.113 414 K HA -0.199 4.130 4.320 0.016 0.000 0.208 414 K C 1.837 178.280 176.600 -0.261 0.000 1.047 414 K CA 1.589 57.811 56.287 -0.109 0.000 0.928 414 K CB -0.428 32.051 32.500 -0.035 0.000 0.716 414 K HN 0.576 nan 8.250 nan 0.000 0.446 415 G N 0.810 109.291 108.800 -0.532 0.000 2.403 415 G HA2 -0.155 3.814 3.960 0.016 0.000 0.216 415 G HA3 -0.155 3.814 3.960 0.016 0.000 0.216 415 G C 1.471 176.090 174.900 -0.469 0.000 1.154 415 G CA 0.308 44.765 45.100 -1.072 0.000 0.784 415 G HN 0.193 nan 8.290 nan 0.000 0.538 416 L N 0.298 121.372 121.223 -0.249 0.000 2.109 416 L HA -0.013 4.337 4.340 0.016 0.000 0.207 416 L C 2.927 179.751 176.870 -0.076 0.000 1.086 416 L CA 0.196 54.971 54.840 -0.110 0.000 0.760 416 L CB -0.289 41.739 42.059 -0.052 0.000 0.910 416 L HN 0.057 nan 8.230 nan 0.000 0.437 417 V N -0.268 119.597 119.914 -0.083 0.000 2.407 417 V HA -0.298 3.832 4.120 0.016 0.000 0.248 417 V C 2.435 178.515 176.094 -0.023 0.000 1.055 417 V CA 1.864 64.134 62.300 -0.050 0.000 1.049 417 V CB -0.411 31.387 31.823 -0.043 0.000 0.662 417 V HN 0.456 nan 8.190 nan 0.000 0.455 418 Q N 0.140 119.928 119.800 -0.022 0.000 2.083 418 Q HA -0.071 4.278 4.340 0.016 0.000 0.198 418 Q C 2.003 178.045 176.000 0.069 0.000 0.969 418 Q CA 1.682 57.513 55.803 0.048 0.000 0.838 418 Q CB -0.501 28.314 28.738 0.128 0.000 0.900 418 Q HN 0.591 nan 8.270 nan 0.000 0.436 419 L N 0.201 121.454 121.223 0.050 0.000 2.127 419 L HA -0.167 4.182 4.340 0.016 0.000 0.211 419 L C 2.532 179.436 176.870 0.057 0.000 1.089 419 L CA 1.482 56.359 54.840 0.063 0.000 0.757 419 L CB -0.643 41.444 42.059 0.047 0.000 0.899 419 L HN 0.289 nan 8.230 nan 0.000 0.434 420 S N -0.683 115.040 115.700 0.039 0.000 2.387 420 S HA -0.152 4.328 4.470 0.016 0.000 0.226 420 S C 1.930 176.601 174.600 0.118 0.000 1.026 420 S CA 0.852 59.085 58.200 0.054 0.000 0.972 420 S CB -0.089 63.108 63.200 -0.005 0.000 0.814 420 S HN 0.347 nan 8.310 nan 0.000 0.477 421 E N 1.241 121.490 120.200 0.082 0.000 2.110 421 E HA -0.031 4.328 4.350 0.016 0.000 0.193 421 E C 1.147 177.887 176.600 0.234 0.000 0.988 421 E CA 0.781 57.243 56.400 0.104 0.000 0.804 421 E CB -0.189 29.543 29.700 0.053 0.000 0.745 421 E HN 0.741 nan 8.360 nan 0.000 0.458 422 E N -1.008 119.283 120.200 0.153 0.000 4.127 422 E HA 0.176 4.535 4.350 0.016 0.000 0.334 422 E C 1.434 178.078 176.600 0.072 0.000 1.483 422 E CA 0.217 56.685 56.400 0.113 0.000 1.817 422 E CB 0.023 29.766 29.700 0.073 0.000 1.406 422 E HN 0.145 nan 8.360 nan 0.000 0.813 423 G N -0.518 108.279 108.800 -0.005 0.000 2.838 423 G HA2 0.046 4.015 3.960 0.016 0.000 0.210 423 G HA3 0.046 4.015 3.960 0.016 0.000 0.210 423 G C 1.337 176.222 174.900 -0.024 0.000 1.153 423 G CA 0.593 45.659 45.100 -0.056 0.000 0.778 423 G HN 0.424 nan 8.290 nan 0.000 0.539 424 A N 0.135 122.956 122.820 0.001 0.000 1.869 424 A HA 0.239 4.569 4.320 0.016 0.000 0.218 424 A C 1.471 179.033 177.584 -0.036 0.000 1.203 424 A CA 2.546 54.576 52.037 -0.011 0.000 0.638 424 A CB -0.716 18.296 19.000 0.020 0.000 0.831 424 A HN 1.167 nan 8.150 nan 0.000 0.450 425 V N -5.650 114.258 119.914 -0.010 0.000 3.076 425 V HA 0.608 4.738 4.120 0.016 0.000 0.311 425 V C -1.432 174.670 176.094 0.014 0.000 1.461 425 V CA -1.169 61.114 62.300 -0.027 0.000 1.029 425 V CB 1.336 33.143 31.823 -0.026 0.000 1.061 425 V HN 0.409 nan 8.190 nan 0.000 0.474 426 Q N 0.245 120.052 119.800 0.012 0.000 2.375 426 Q HA 0.804 5.153 4.340 0.016 0.000 0.271 426 Q C -1.353 174.555 176.000 -0.154 0.000 1.074 426 Q CA -0.887 54.885 55.803 -0.051 0.000 0.808 426 Q CB 2.783 31.553 28.738 0.054 0.000 1.327 426 Q HN 0.909 nan 8.270 nan 0.000 0.441 427 V N -0.782 118.920 119.914 -0.353 0.000 2.715 427 V HA 0.702 4.832 4.120 0.016 0.000 0.310 427 V C -0.945 174.781 176.094 -0.613 0.000 1.054 427 V CA -0.900 61.234 62.300 -0.277 0.000 0.928 427 V CB 1.125 32.893 31.823 -0.092 0.000 1.007 427 V HN 0.594 nan 8.190 nan 0.000 0.437 428 F N 1.752 121.790 119.950 0.147 0.000 2.539 428 F HA 0.715 5.251 4.527 0.016 0.000 0.318 428 F C 0.379 176.225 175.800 0.077 0.000 1.135 428 F CA -0.715 57.356 58.000 0.119 0.000 0.915 428 F CB 2.345 41.421 39.000 0.127 0.000 1.176 428 F HN 0.359 nan 8.300 nan 0.000 0.440 429 R N 3.418 124.035 120.500 0.195 0.000 2.312 429 R HA 0.361 4.711 4.340 0.016 0.000 0.310 429 R C -2.823 173.530 176.300 0.089 0.000 1.064 429 R CA -1.957 54.209 56.100 0.111 0.000 0.983 429 R CB 0.927 31.266 30.300 0.065 0.000 1.139 429 R HN 0.213 nan 8.270 nan 0.000 0.536 430 P HA -0.022 nan 4.420 nan 0.000 0.266 430 P C 0.895 178.196 177.300 0.001 0.000 1.195 430 P CA -0.184 62.925 63.100 0.015 0.000 0.768 430 P CB 0.687 32.377 31.700 -0.017 0.000 0.838 431 I N 1.712 122.272 120.570 -0.018 0.000 2.361 431 I HA -0.171 4.009 4.170 0.016 0.000 0.251 431 I C 1.940 178.038 176.117 -0.031 0.000 1.133 431 I CA 1.952 63.237 61.300 -0.025 0.000 1.413 431 I CB -2.068 35.906 38.000 -0.044 0.000 1.073 431 I HN 0.376 nan 8.210 nan 0.000 0.424 432 S N 0.620 116.296 115.700 -0.040 0.000 2.575 432 S HA 0.054 4.533 4.470 0.016 0.000 0.215 432 S C 0.524 175.108 174.600 -0.028 0.000 0.966 432 S CA -0.079 58.097 58.200 -0.039 0.000 0.911 432 S CB -0.482 62.687 63.200 -0.053 0.000 0.780 432 S HN 0.687 nan 8.310 nan 0.000 0.514 433 N N 0.147 118.836 118.700 -0.019 0.000 3.439 433 N HA 0.371 5.120 4.740 0.016 0.000 0.313 433 N C -0.720 174.789 175.510 -0.000 0.000 1.598 433 N CA -0.853 52.191 53.050 -0.011 0.000 0.830 433 N CB -0.134 38.346 38.487 -0.012 0.000 1.849 433 N HN -0.106 nan 8.380 nan 0.000 0.598 434 N N -1.071 117.632 118.700 0.004 0.000 2.184 434 N HA 0.153 4.903 4.740 0.016 0.000 0.206 434 N C -1.115 174.407 175.510 0.020 0.000 1.151 434 N CA -0.059 52.997 53.050 0.010 0.000 0.878 434 N CB 0.005 38.496 38.487 0.006 0.000 1.014 434 N HN 0.523 nan 8.380 nan 0.000 0.512 435 D N 1.015 121.429 120.400 0.024 0.000 2.419 435 D HA 0.068 4.717 4.640 0.016 0.000 0.236 435 D C 0.456 176.792 176.300 0.060 0.000 1.165 435 D CA 0.503 54.526 54.000 0.038 0.000 0.882 435 D CB 1.404 42.227 40.800 0.037 0.000 1.201 435 D HN 0.036 nan 8.370 nan 0.000 0.443 436 L N 1.859 123.128 121.223 0.076 0.000 2.333 436 L HA 0.468 4.818 4.340 0.016 0.000 0.280 436 L C -0.052 176.914 176.870 0.160 0.000 1.004 436 L CA -0.688 54.217 54.840 0.107 0.000 0.820 436 L CB 1.230 43.338 42.059 0.081 0.000 1.247 436 L HN 0.127 nan 8.230 nan 0.000 0.416 437 I N 3.624 124.331 120.570 0.229 0.000 2.362 437 I HA 0.323 4.503 4.170 0.016 0.000 0.289 437 I C -0.168 176.201 176.117 0.421 0.000 0.994 437 I CA -0.820 60.671 61.300 0.318 0.000 1.158 437 I CB 2.050 40.245 38.000 0.325 0.000 1.315 437 I HN 0.224 nan 8.210 nan 0.000 0.451 438 V N 4.991 125.145 119.914 0.400 0.000 2.546 438 V HA 0.508 4.638 4.120 0.016 0.000 0.284 438 V C 0.722 177.072 176.094 0.426 0.000 1.050 438 V CA -0.369 62.171 62.300 0.400 0.000 0.981 438 V CB 1.318 33.411 31.823 0.451 0.000 0.990 438 V HN 0.924 nan 8.190 nan 0.000 0.474 439 G N 2.982 111.957 108.800 0.291 0.000 2.660 439 G HA2 0.691 4.661 3.960 0.016 0.000 0.305 439 G HA3 0.691 4.661 3.960 0.016 0.000 0.305 439 G C -0.363 174.414 174.900 -0.205 0.000 1.329 439 G CA -0.000 45.084 45.100 -0.026 0.000 1.000 439 G HN 1.061 nan 8.290 nan 0.000 0.514 440 A N 1.956 124.488 122.820 -0.480 0.000 2.288 440 A HA 0.792 5.122 4.320 0.016 0.000 0.328 440 A C 0.663 177.999 177.584 -0.414 0.000 1.123 440 A CA -0.530 51.165 52.037 -0.569 0.000 0.861 440 A CB 1.718 20.040 19.000 -1.131 0.000 1.272 440 A HN 0.733 nan 8.150 nan 0.000 0.490 441 V N -0.144 119.539 119.914 -0.384 0.000 3.085 441 V HA 0.286 4.415 4.120 0.016 0.000 0.245 441 V C 1.180 177.093 176.094 -0.301 0.000 1.114 441 V CA 1.372 63.470 62.300 -0.336 0.000 1.108 441 V CB 0.451 31.959 31.823 -0.524 0.000 0.798 441 V HN 1.034 nan 8.190 nan 0.000 0.471 442 G N -0.585 107.970 108.800 -0.408 0.000 2.566 442 G HA2 0.461 4.431 3.960 0.016 0.000 0.311 442 G HA3 0.461 4.431 3.960 0.016 0.000 0.311 442 G C 0.671 175.457 174.900 -0.191 0.000 1.322 442 G CA 0.337 45.330 45.100 -0.178 0.000 0.969 442 G HN 0.090 nan 8.290 nan 0.000 0.490 443 V N 1.896 121.804 119.914 -0.010 0.000 2.370 443 V HA -0.257 3.873 4.120 0.016 0.000 0.252 443 V C 2.592 178.706 176.094 0.035 0.000 1.068 443 V CA 2.031 64.386 62.300 0.092 0.000 1.061 443 V CB -1.101 30.822 31.823 0.165 0.000 0.656 443 V HN 0.592 nan 8.190 nan 0.000 0.455 444 L N 0.749 121.967 121.223 -0.009 0.000 2.051 444 L HA -0.278 4.072 4.340 0.016 0.000 0.214 444 L C 2.697 179.544 176.870 -0.038 0.000 1.076 444 L CA 2.428 57.265 54.840 -0.005 0.000 0.758 444 L CB -0.790 41.254 42.059 -0.024 0.000 0.890 444 L HN 0.432 nan 8.230 nan 0.000 0.433 445 Q N -1.228 118.471 119.800 -0.168 0.000 2.096 445 Q HA -0.241 4.108 4.340 0.016 0.000 0.204 445 Q C 2.184 178.128 176.000 -0.094 0.000 0.982 445 Q CA 2.268 57.952 55.803 -0.199 0.000 0.850 445 Q CB -0.390 28.132 28.738 -0.360 0.000 0.901 445 Q HN 0.590 nan 8.270 nan 0.000 0.422 446 F N 0.991 120.933 119.950 -0.013 0.000 2.095 446 F HA -0.256 4.281 4.527 0.016 0.000 0.298 446 F C 1.926 177.849 175.800 0.207 0.000 1.104 446 F CA 0.850 58.870 58.000 0.033 0.000 1.232 446 F CB -0.089 38.787 39.000 -0.207 0.000 0.987 446 F HN 0.082 nan 8.300 nan 0.000 0.475 447 D N -0.038 120.550 120.400 0.312 0.000 2.144 447 D HA -0.131 4.518 4.640 0.016 0.000 0.200 447 D C 2.366 178.763 176.300 0.161 0.000 0.978 447 D CA 0.978 55.115 54.000 0.228 0.000 0.833 447 D CB -0.527 40.363 40.800 0.150 0.000 0.961 447 D HN 0.044 nan 8.370 nan 0.000 0.470 448 V N 0.310 120.295 119.914 0.118 0.000 2.515 448 V HA -0.175 3.955 4.120 0.016 0.000 0.250 448 V C 2.479 178.633 176.094 0.100 0.000 1.058 448 V CA 0.911 63.259 62.300 0.080 0.000 1.064 448 V CB -0.289 31.556 31.823 0.037 0.000 0.675 448 V HN 0.084 nan 8.190 nan 0.000 0.461 449 V N -0.273 119.727 119.914 0.143 0.000 2.358 449 V HA -0.179 3.950 4.120 0.016 0.000 0.246 449 V C 2.402 178.569 176.094 0.121 0.000 1.047 449 V CA 1.730 64.118 62.300 0.147 0.000 1.035 449 V CB -0.270 31.681 31.823 0.215 0.000 0.658 449 V HN 0.424 nan 8.190 nan 0.000 0.452 450 V N 0.457 120.447 119.914 0.127 0.000 2.407 450 V HA -0.227 3.903 4.120 0.016 0.000 0.248 450 V C 2.672 178.793 176.094 0.046 0.000 1.055 450 V CA 1.946 64.268 62.300 0.036 0.000 1.049 450 V CB -1.181 30.646 31.823 0.007 0.000 0.662 450 V HN 0.543 nan 8.190 nan 0.000 0.455 451 A N 0.168 123.028 122.820 0.067 0.000 1.873 451 A HA -0.171 4.159 4.320 0.016 0.000 0.215 451 A C 2.404 180.024 177.584 0.062 0.000 1.186 451 A CA 1.591 53.661 52.037 0.055 0.000 0.616 451 A CB -0.449 18.583 19.000 0.053 0.000 0.823 451 A HN 0.480 nan 8.150 nan 0.000 0.442 452 R N -0.600 119.948 120.500 0.080 0.000 2.115 452 R HA 0.079 4.428 4.340 0.016 0.000 0.226 452 R C 1.981 178.386 176.300 0.174 0.000 1.100 452 R CA 0.938 57.101 56.100 0.105 0.000 0.980 452 R CB -0.425 29.943 30.300 0.113 0.000 0.875 452 R HN 0.477 nan 8.270 nan 0.000 0.445 453 L N 0.815 122.130 121.223 0.153 0.000 2.083 453 L HA -0.182 4.167 4.340 0.016 0.000 0.209 453 L C 2.666 179.632 176.870 0.160 0.000 1.083 453 L CA 1.362 56.306 54.840 0.175 0.000 0.752 453 L CB -0.327 41.767 42.059 0.058 0.000 0.899 453 L HN 0.162 nan 8.230 nan 0.000 0.433 454 K N -0.801 119.652 120.400 0.088 0.000 2.062 454 K HA -0.160 4.169 4.320 0.016 0.000 0.205 454 K C 2.357 178.986 176.600 0.048 0.000 1.051 454 K CA 1.543 57.864 56.287 0.057 0.000 0.941 454 K CB 0.098 32.617 32.500 0.031 0.000 0.719 454 K HN 0.105 nan 8.250 nan 0.000 0.440 455 S N 0.580 116.303 115.700 0.040 0.000 2.327 455 S HA -0.071 4.409 4.470 0.016 0.000 0.213 455 S C 1.585 176.159 174.600 -0.043 0.000 1.032 455 S CA 1.066 59.267 58.200 0.000 0.000 0.960 455 S CB -0.047 63.151 63.200 -0.005 0.000 0.900 455 S HN 0.326 nan 8.310 nan 0.000 0.469 456 E N -0.968 119.189 120.200 -0.072 0.000 2.285 456 E HA 0.071 4.431 4.350 0.016 0.000 0.194 456 E C -0.478 175.751 176.600 -0.618 0.000 0.997 456 E CA 0.592 56.806 56.400 -0.310 0.000 0.845 456 E CB 0.162 29.652 29.700 -0.349 0.000 0.782 456 E HN 0.546 nan 8.360 nan 0.000 0.491 457 Y N -1.167 119.137 120.300 0.006 0.000 2.602 457 Y HA 0.271 4.830 4.550 0.016 0.000 0.342 457 Y C 0.624 176.525 175.900 0.001 0.000 1.029 457 Y CA -1.072 57.031 58.100 0.005 0.000 1.080 457 Y CB 0.822 39.286 38.460 0.007 0.000 1.284 457 Y HN -0.264 nan 8.280 nan 0.000 0.485 458 N N -0.216 118.572 118.700 0.147 0.000 2.515 458 N HA 0.009 4.759 4.740 0.016 0.000 0.185 458 N C -0.382 175.167 175.510 0.065 0.000 1.109 458 N CA -0.067 53.028 53.050 0.075 0.000 0.903 458 N CB 0.295 38.813 38.487 0.051 0.000 0.969 458 N HN 0.394 nan 8.380 nan 0.000 0.450 459 V N -0.149 119.815 119.914 0.083 0.000 2.715 459 V HA 0.176 4.306 4.120 0.016 0.000 0.299 459 V C -0.161 175.943 176.094 0.017 0.000 1.054 459 V CA -0.301 62.022 62.300 0.038 0.000 1.077 459 V CB 1.147 32.982 31.823 0.020 0.000 0.972 459 V HN 0.066 nan 8.190 nan 0.000 0.484 460 E N 3.239 123.436 120.200 -0.005 0.000 2.114 460 E HA 0.656 5.016 4.350 0.016 0.000 0.266 460 E C -0.257 176.310 176.600 -0.054 0.000 0.896 460 E CA -0.458 55.928 56.400 -0.024 0.000 0.750 460 E CB 1.797 31.486 29.700 -0.017 0.000 1.121 460 E HN 1.016 nan 8.360 nan 0.000 0.413 461 A N 2.852 125.615 122.820 -0.095 0.000 2.325 461 A HA 0.682 5.012 4.320 0.016 0.000 0.333 461 A C -0.496 176.935 177.584 -0.254 0.000 1.155 461 A CA -0.582 51.357 52.037 -0.164 0.000 0.814 461 A CB 1.197 20.081 19.000 -0.194 0.000 1.206 461 A HN 0.394 nan 8.150 nan 0.000 0.482 462 V N 1.607 121.365 119.914 -0.259 0.000 2.735 462 V HA 0.379 4.508 4.120 0.016 0.000 0.310 462 V C -1.078 174.869 176.094 -0.246 0.000 1.061 462 V CA -0.465 61.695 62.300 -0.233 0.000 0.913 462 V CB 1.585 33.353 31.823 -0.092 0.000 1.005 462 V HN 0.866 nan 8.190 nan 0.000 0.428 463 Y N 1.724 122.006 120.300 -0.029 0.000 2.376 463 Y HA 0.646 5.206 4.550 0.016 0.000 0.325 463 Y C 0.371 176.239 175.900 -0.054 0.000 1.199 463 Y CA -0.366 57.698 58.100 -0.060 0.000 1.206 463 Y CB 1.676 40.058 38.460 -0.130 0.000 1.229 463 Y HN 0.591 nan 8.280 nan 0.000 0.480 464 E N 0.660 120.948 120.200 0.145 0.000 2.321 464 E HA 0.265 4.625 4.350 0.016 0.000 0.278 464 E C -1.341 175.276 176.600 0.028 0.000 0.902 464 E CA -0.737 55.700 56.400 0.061 0.000 0.758 464 E CB 1.493 31.225 29.700 0.053 0.000 1.213 464 E HN 0.660 nan 8.360 nan 0.000 0.426 465 S N 1.419 117.122 115.700 0.005 0.000 2.572 465 S HA 0.410 4.890 4.470 0.016 0.000 0.279 465 S C 0.238 174.842 174.600 0.007 0.000 1.341 465 S CA -0.505 57.690 58.200 -0.008 0.000 1.043 465 S CB 0.815 64.010 63.200 -0.009 0.000 0.887 465 S HN 0.452 nan 8.310 nan 0.000 0.516 466 V N -0.246 119.675 119.914 0.011 0.000 3.102 466 V HA 0.592 4.721 4.120 0.016 0.000 0.312 466 V C -0.382 175.704 176.094 -0.014 0.000 1.135 466 V CA -1.232 61.069 62.300 0.002 0.000 1.022 466 V CB 1.935 33.766 31.823 0.013 0.000 1.056 466 V HN 0.936 nan 8.190 nan 0.000 0.436 467 N N 1.176 119.848 118.700 -0.046 0.000 2.558 467 N HA 0.556 5.305 4.740 0.016 0.000 0.233 467 N C -1.434 173.994 175.510 -0.137 0.000 1.038 467 N CA 0.138 53.150 53.050 -0.065 0.000 0.934 467 N CB 1.211 39.665 38.487 -0.055 0.000 1.175 467 N HN 0.646 nan 8.380 nan 0.000 0.512 468 V N 1.865 121.677 119.914 -0.169 0.000 2.752 468 V HA 0.362 4.491 4.120 0.016 0.000 0.302 468 V C 0.459 176.390 176.094 -0.272 0.000 1.133 468 V CA -0.658 61.410 62.300 -0.385 0.000 0.919 468 V CB 1.455 32.789 31.823 -0.816 0.000 1.026 468 V HN 0.591 nan 8.190 nan 0.000 0.429 469 A N 3.521 126.216 122.820 -0.209 0.000 1.993 469 A HA 0.604 4.934 4.320 0.016 0.000 0.207 469 A C 0.905 178.543 177.584 0.090 0.000 1.224 469 A CA 1.280 53.313 52.037 -0.006 0.000 0.749 469 A CB 0.348 19.353 19.000 0.009 0.000 0.884 469 A HN 1.029 nan 8.150 nan 0.000 0.467 470 T N -4.575 109.948 114.554 -0.052 0.000 2.671 470 T HA 0.713 5.072 4.350 0.016 0.000 0.300 470 T C -0.651 173.954 174.700 -0.159 0.000 1.238 470 T CA -0.142 62.005 62.100 0.079 0.000 1.020 470 T CB 1.179 70.123 68.868 0.127 0.000 1.503 470 T HN 1.196 nan 8.240 nan 0.000 0.497 471 A N 0.297 123.079 122.820 -0.063 0.000 2.469 471 A HA 0.943 5.273 4.320 0.016 0.000 0.299 471 A C -1.099 176.373 177.584 -0.185 0.000 1.098 471 A CA -1.022 50.871 52.037 -0.240 0.000 0.737 471 A CB 1.472 20.137 19.000 -0.558 0.000 1.312 471 A HN 0.709 nan 8.150 nan 0.000 0.414 472 R N 0.879 121.283 120.500 -0.159 0.000 2.533 472 R HA 0.238 4.588 4.340 0.016 0.000 0.288 472 R C -1.504 174.722 176.300 -0.124 0.000 1.039 472 R CA -0.375 55.697 56.100 -0.046 0.000 0.909 472 R CB 1.102 31.546 30.300 0.241 0.000 1.195 472 R HN 0.832 nan 8.270 nan 0.000 0.438 473 W N 2.707 124.138 121.300 0.218 0.000 2.253 473 W HA 0.204 4.873 4.660 0.016 0.000 0.322 473 W C 0.286 176.840 176.519 0.059 0.000 1.342 473 W CA -0.191 57.263 57.345 0.182 0.000 1.218 473 W CB 0.780 30.358 29.460 0.197 0.000 1.205 473 W HN 0.067 nan 8.180 nan 0.000 0.551 474 V N 2.940 122.962 119.914 0.180 0.000 2.769 474 V HA 0.448 4.578 4.120 0.016 0.000 0.312 474 V C -0.228 175.838 176.094 -0.047 0.000 1.058 474 V CA -0.630 61.596 62.300 -0.123 0.000 0.952 474 V CB 2.018 33.792 31.823 -0.081 0.000 1.019 474 V HN 0.548 nan 8.190 nan 0.000 0.445 475 E N 2.822 122.794 120.200 -0.379 0.000 2.381 475 E HA 0.456 4.815 4.350 0.016 0.000 0.286 475 E C -2.141 173.974 176.600 -0.808 0.000 0.960 475 E CA -0.463 55.660 56.400 -0.462 0.000 0.793 475 E CB 1.997 31.635 29.700 -0.104 0.000 1.225 475 E HN 0.744 nan 8.360 nan 0.000 0.420 476 C N 3.810 122.438 119.300 -1.120 0.000 2.832 476 C HA 0.680 5.149 4.460 0.016 0.000 0.383 476 C C 0.952 175.658 174.990 -0.473 0.000 1.046 476 C CA 0.335 58.843 59.018 -0.850 0.000 1.242 476 C CB 0.500 27.599 27.740 -1.069 0.000 1.693 476 C HN 0.910 nan 8.230 nan 0.000 0.497 477 A N 2.697 125.379 122.820 -0.231 0.000 2.119 477 A HA 0.080 4.409 4.320 0.016 0.000 0.217 477 A C 0.827 178.389 177.584 -0.037 0.000 1.153 477 A CA 1.212 53.189 52.037 -0.100 0.000 0.692 477 A CB -0.164 18.794 19.000 -0.069 0.000 0.799 477 A HN 0.865 nan 8.150 nan 0.000 0.458 478 D N 0.028 120.407 120.400 -0.035 0.000 2.411 478 D HA 0.525 5.174 4.640 0.016 0.000 0.225 478 D C 1.163 177.524 176.300 0.102 0.000 1.156 478 D CA 0.449 54.465 54.000 0.028 0.000 0.874 478 D CB 1.177 41.990 40.800 0.022 0.000 1.034 478 D HN 0.116 nan 8.370 nan 0.000 0.502 479 A N 4.636 127.525 122.820 0.115 0.000 1.940 479 A HA -0.222 4.108 4.320 0.016 0.000 0.219 479 A C 2.000 179.673 177.584 0.149 0.000 1.176 479 A CA 1.581 53.715 52.037 0.161 0.000 0.631 479 A CB -0.156 18.908 19.000 0.106 0.000 0.814 479 A HN 0.495 nan 8.150 nan 0.000 0.446 480 K N 0.034 120.500 120.400 0.110 0.000 2.001 480 K HA -0.090 4.240 4.320 0.016 0.000 0.208 480 K C 2.089 178.766 176.600 0.130 0.000 1.048 480 K CA 1.718 58.063 56.287 0.097 0.000 0.932 480 K CB -0.190 32.354 32.500 0.072 0.000 0.715 480 K HN 0.202 nan 8.250 nan 0.000 0.437 481 K N -0.133 120.354 120.400 0.144 0.000 2.148 481 K HA -0.071 4.258 4.320 0.016 0.000 0.204 481 K C 2.091 178.856 176.600 0.274 0.000 1.050 481 K CA 1.135 57.531 56.287 0.180 0.000 0.942 481 K CB -0.351 32.232 32.500 0.139 0.000 0.724 481 K HN 0.307 nan 8.250 nan 0.000 0.446 482 F N 1.182 121.170 119.950 0.063 0.000 2.186 482 F HA -0.219 4.317 4.527 0.016 0.000 0.299 482 F C 2.234 178.108 175.800 0.124 0.000 1.090 482 F CA 0.987 59.030 58.000 0.072 0.000 1.307 482 F CB 0.277 39.294 39.000 0.029 0.000 1.019 482 F HN 0.088 nan 8.300 nan 0.000 0.489 483 E N 0.874 121.144 120.200 0.117 0.000 2.152 483 E HA -0.216 4.143 4.350 0.016 0.000 0.192 483 E C 1.925 178.535 176.600 0.017 0.000 0.983 483 E CA 1.076 57.463 56.400 -0.022 0.000 0.818 483 E CB -0.328 29.365 29.700 -0.012 0.000 0.758 483 E HN 0.486 nan 8.360 nan 0.000 0.467 484 E N -0.986 119.272 120.200 0.096 0.000 2.150 484 E HA -0.181 4.179 4.350 0.016 0.000 0.193 484 E C 1.701 178.345 176.600 0.073 0.000 0.985 484 E CA 0.917 57.378 56.400 0.101 0.000 0.814 484 E CB -0.199 29.599 29.700 0.162 0.000 0.752 484 E HN 0.394 nan 8.360 nan 0.000 0.466 485 F N 1.520 121.427 119.950 -0.072 0.000 2.163 485 F HA -0.026 4.510 4.527 0.016 0.000 0.297 485 F C 1.941 177.602 175.800 -0.233 0.000 1.094 485 F CA 1.194 59.016 58.000 -0.297 0.000 1.290 485 F CB 0.048 38.943 39.000 -0.176 0.000 1.017 485 F HN -0.168 nan 8.300 nan 0.000 0.483 486 K N 0.128 120.360 120.400 -0.279 0.000 2.057 486 K HA -0.179 4.150 4.320 0.016 0.000 0.206 486 K C 2.350 178.767 176.600 -0.305 0.000 1.050 486 K CA 1.429 57.493 56.287 -0.371 0.000 0.935 486 K CB -0.314 32.024 32.500 -0.270 0.000 0.715 486 K HN 0.227 nan 8.250 nan 0.000 0.439 487 R N 1.577 121.960 120.500 -0.196 0.000 2.081 487 R HA -0.120 4.229 4.340 0.016 0.000 0.235 487 R C 1.556 177.775 176.300 -0.135 0.000 1.131 487 R CA 1.613 57.636 56.100 -0.129 0.000 0.960 487 R CB 0.131 30.393 30.300 -0.065 0.000 0.856 487 R HN 0.038 nan 8.270 nan 0.000 0.436 488 K N -0.731 119.570 120.400 -0.166 0.000 2.379 488 K HA 0.099 4.429 4.320 0.016 0.000 0.194 488 K C 0.564 177.070 176.600 -0.157 0.000 1.031 488 K CA 0.372 56.598 56.287 -0.102 0.000 1.037 488 K CB 0.453 32.966 32.500 0.021 0.000 0.824 488 K HN 0.205 nan 8.250 nan 0.000 0.516 489 N N 0.790 119.291 118.700 -0.331 0.000 2.238 489 N HA -0.029 4.721 4.740 0.016 0.000 0.235 489 N C 0.502 175.840 175.510 -0.286 0.000 1.209 489 N CA 0.098 52.965 53.050 -0.305 0.000 0.879 489 N CB 0.920 39.108 38.487 -0.499 0.000 1.136 489 N HN 0.228 nan 8.380 nan 0.000 0.517 490 E N 1.525 121.583 120.200 -0.237 0.000 2.171 490 E HA -0.175 4.185 4.350 0.016 0.000 0.197 490 E C 1.612 178.114 176.600 -0.163 0.000 0.997 490 E CA 1.340 57.625 56.400 -0.192 0.000 0.810 490 E CB 0.267 29.882 29.700 -0.142 0.000 0.738 490 E HN 0.293 nan 8.360 nan 0.000 0.467 491 S N -0.133 115.478 115.700 -0.148 0.000 2.447 491 S HA -0.100 4.380 4.470 0.016 0.000 0.233 491 S C 1.551 176.039 174.600 -0.187 0.000 1.006 491 S CA 0.633 58.753 58.200 -0.135 0.000 0.957 491 S CB 0.115 63.253 63.200 -0.103 0.000 0.773 491 S HN 0.211 nan 8.310 nan 0.000 0.507 492 Q N 0.479 120.117 119.800 -0.269 0.000 2.247 492 Q HA 0.445 4.795 4.340 0.016 0.000 0.204 492 Q C -0.129 175.600 176.000 -0.452 0.000 0.872 492 Q CA 0.027 55.562 55.803 -0.447 0.000 0.951 492 Q CB 0.241 28.534 28.738 -0.742 0.000 1.099 492 Q HN 0.549 nan 8.270 nan 0.000 0.501 493 L N 0.594 121.658 121.223 -0.264 0.000 2.325 493 L HA 0.724 5.074 4.340 0.016 0.000 0.279 493 L C -0.141 176.682 176.870 -0.078 0.000 1.054 493 L CA -0.780 53.970 54.840 -0.150 0.000 0.804 493 L CB 1.563 43.555 42.059 -0.112 0.000 1.200 493 L HN -0.064 nan 8.230 nan 0.000 0.436 494 A N 3.306 126.125 122.820 -0.002 0.000 2.594 494 A HA 0.814 5.144 4.320 0.016 0.000 0.291 494 A C -1.414 176.269 177.584 0.165 0.000 1.105 494 A CA -0.582 51.504 52.037 0.081 0.000 0.694 494 A CB 1.526 20.599 19.000 0.121 0.000 1.291 494 A HN 0.578 nan 8.150 nan 0.000 0.410 495 L N 1.459 122.785 121.223 0.172 0.000 2.307 495 L HA 0.344 4.694 4.340 0.016 0.000 0.284 495 L C -0.241 176.732 176.870 0.173 0.000 1.023 495 L CA -0.962 53.981 54.840 0.172 0.000 0.810 495 L CB 1.469 43.587 42.059 0.099 0.000 1.231 495 L HN 0.718 nan 8.230 nan 0.000 0.423 496 D N 1.740 122.258 120.400 0.195 0.000 2.319 496 D HA -0.037 4.613 4.640 0.016 0.000 0.235 496 D C 1.077 177.357 176.300 -0.033 0.000 1.304 496 D CA 0.681 54.712 54.000 0.052 0.000 0.894 496 D CB 1.111 42.015 40.800 0.174 0.000 1.183 496 D HN 0.751 nan 8.370 nan 0.000 0.472 497 G N -0.261 108.479 108.800 -0.101 0.000 2.534 497 G HA2 -0.033 3.937 3.960 0.016 0.000 0.217 497 G HA3 -0.033 3.937 3.960 0.016 0.000 0.217 497 G C 1.041 175.909 174.900 -0.053 0.000 1.128 497 G CA 0.636 45.694 45.100 -0.071 0.000 0.784 497 G HN 0.467 nan 8.290 nan 0.000 0.542 498 G N -0.332 108.434 108.800 -0.055 0.000 3.523 498 G HA2 0.395 4.365 3.960 0.016 0.000 0.270 498 G HA3 0.395 4.365 3.960 0.016 0.000 0.270 498 G C 0.124 175.012 174.900 -0.019 0.000 1.134 498 G CA 0.326 45.389 45.100 -0.062 0.000 0.825 498 G HN 0.209 nan 8.290 nan 0.000 0.534 499 D N -0.965 119.446 120.400 0.018 0.000 3.079 499 D HA -0.162 4.488 4.640 0.016 0.000 0.214 499 D C 0.126 176.481 176.300 0.092 0.000 1.145 499 D CA 0.869 54.898 54.000 0.048 0.000 0.958 499 D CB -1.442 39.373 40.800 0.025 0.000 1.117 499 D HN 0.534 nan 8.370 nan 0.000 0.416 500 N N 0.405 119.184 118.700 0.132 0.000 2.470 500 N HA 0.335 5.084 4.740 0.016 0.000 0.268 500 N C -0.302 175.420 175.510 0.353 0.000 1.136 500 N CA -0.610 52.574 53.050 0.223 0.000 0.961 500 N CB 0.744 39.344 38.487 0.190 0.000 1.067 500 N HN 0.090 nan 8.380 nan 0.000 0.468 501 L N 2.409 123.818 121.223 0.311 0.000 2.453 501 L HA 0.441 4.791 4.340 0.016 0.000 0.272 501 L C -0.277 176.799 176.870 0.343 0.000 1.182 501 L CA 0.222 55.234 54.840 0.287 0.000 0.858 501 L CB -0.088 42.119 42.059 0.246 0.000 1.120 501 L HN 0.715 nan 8.230 nan 0.000 0.474 502 A N 4.509 127.462 122.820 0.223 0.000 2.459 502 A HA 0.340 4.670 4.320 0.016 0.000 0.296 502 A C -1.587 176.035 177.584 0.064 0.000 1.039 502 A CA -0.584 51.488 52.037 0.058 0.000 0.698 502 A CB 0.401 19.298 19.000 -0.172 0.000 1.261 502 A HN 0.608 nan 8.150 nan 0.000 0.405 503 Y N 3.954 124.248 120.300 -0.011 0.000 2.496 503 Y HA 0.362 4.922 4.550 0.016 0.000 0.334 503 Y C -0.016 175.812 175.900 -0.119 0.000 1.080 503 Y CA -0.103 58.015 58.100 0.031 0.000 1.355 503 Y CB 0.383 38.994 38.460 0.251 0.000 1.193 503 Y HN 0.478 nan 8.280 nan 0.000 0.523 504 I N 7.251 127.546 120.570 -0.460 0.000 2.291 504 I HA 0.256 4.435 4.170 0.016 0.000 0.290 504 I C 0.286 176.079 176.117 -0.541 0.000 1.050 504 I CA -0.445 60.555 61.300 -0.501 0.000 1.245 504 I CB -0.016 37.697 38.000 -0.478 0.000 1.405 504 I HN 0.712 nan 8.210 nan 0.000 0.478 505 A N 4.867 127.541 122.820 -0.242 0.000 2.328 505 A HA 0.403 4.732 4.320 0.016 0.000 0.284 505 A C 1.283 178.784 177.584 -0.138 0.000 1.160 505 A CA -0.246 51.776 52.037 -0.025 0.000 0.818 505 A CB 0.479 19.596 19.000 0.195 0.000 1.087 505 A HN 0.764 nan 8.150 nan 0.000 0.504 506 T N 1.243 115.742 114.554 -0.092 0.000 2.777 506 T HA 0.000 4.360 4.350 0.016 0.000 0.266 506 T C 1.007 175.677 174.700 -0.051 0.000 1.040 506 T CA 1.898 63.944 62.100 -0.089 0.000 1.141 506 T CB -0.229 68.605 68.868 -0.058 0.000 0.868 506 T HN 1.117 nan 8.240 nan 0.000 0.444 507 S N -1.077 114.617 115.700 -0.010 0.000 2.638 507 S HA 0.482 4.962 4.470 0.016 0.000 0.274 507 S C 0.693 175.305 174.600 0.019 0.000 1.157 507 S CA -0.930 57.272 58.200 0.003 0.000 0.826 507 S CB 1.105 64.308 63.200 0.005 0.000 1.139 507 S HN -0.126 nan 8.310 nan 0.000 0.474 508 M N 0.974 120.585 119.600 0.017 0.000 2.213 508 M HA -0.017 4.473 4.480 0.016 0.000 0.263 508 M C 2.079 178.375 176.300 -0.006 0.000 1.062 508 M CA 1.100 56.406 55.300 0.011 0.000 1.105 508 M CB -1.427 31.182 32.600 0.015 0.000 1.385 508 M HN 0.657 nan 8.290 nan 0.000 0.417 509 V N 0.956 120.870 119.914 -0.001 0.000 2.343 509 V HA -0.291 3.838 4.120 0.016 0.000 0.247 509 V C 1.980 178.070 176.094 -0.007 0.000 1.051 509 V CA 1.829 64.124 62.300 -0.009 0.000 1.036 509 V CB -0.841 30.981 31.823 -0.003 0.000 0.654 509 V HN 0.545 nan 8.190 nan 0.000 0.451 510 N N -0.367 118.345 118.700 0.020 0.000 2.166 510 N HA -0.188 4.562 4.740 0.016 0.000 0.186 510 N C 1.729 177.263 175.510 0.040 0.000 1.019 510 N CA 1.088 54.173 53.050 0.058 0.000 0.856 510 N CB -0.128 38.421 38.487 0.103 0.000 0.993 510 N HN 0.320 nan 8.380 nan 0.000 0.426 511 L N 1.484 122.707 121.223 0.001 0.000 2.056 511 L HA -0.056 4.294 4.340 0.016 0.000 0.207 511 L C 1.919 178.616 176.870 -0.288 0.000 1.078 511 L CA 1.570 56.318 54.840 -0.154 0.000 0.749 511 L CB -0.277 41.727 42.059 -0.092 0.000 0.901 511 L HN -0.002 nan 8.230 nan 0.000 0.433 512 R N -0.477 119.920 120.500 -0.172 0.000 2.148 512 R HA -0.011 4.339 4.340 0.016 0.000 0.227 512 R C 2.232 178.433 176.300 -0.165 0.000 1.103 512 R CA 1.143 57.138 56.100 -0.174 0.000 0.983 512 R CB -1.034 29.206 30.300 -0.099 0.000 0.874 512 R HN 0.407 nan 8.270 nan 0.000 0.451 513 L N -0.144 121.010 121.223 -0.114 0.000 2.023 513 L HA -0.078 4.272 4.340 0.016 0.000 0.205 513 L C 2.484 179.311 176.870 -0.072 0.000 1.073 513 L CA 1.388 56.186 54.840 -0.070 0.000 0.745 513 L CB -0.634 41.419 42.059 -0.010 0.000 0.900 513 L HN 0.129 nan 8.230 nan 0.000 0.435 514 A N -0.541 122.225 122.820 -0.090 0.000 1.908 514 A HA -0.283 4.047 4.320 0.016 0.000 0.218 514 A C 2.196 179.724 177.584 -0.093 0.000 1.181 514 A CA 1.777 53.828 52.037 0.025 0.000 0.627 514 A CB -0.569 18.282 19.000 -0.249 0.000 0.818 514 A HN 0.490 nan 8.150 nan 0.000 0.445 515 Q N -1.045 118.410 119.800 -0.575 0.000 2.061 515 Q HA -0.215 4.135 4.340 0.016 0.000 0.204 515 Q C 2.219 178.107 176.000 -0.188 0.000 0.984 515 Q CA 1.571 57.008 55.803 -0.610 0.000 0.846 515 Q CB -0.197 28.144 28.738 -0.662 0.000 0.902 515 Q HN 0.834 nan 8.270 nan 0.000 0.421 516 E N 1.117 121.219 120.200 -0.164 0.000 2.216 516 E HA -0.152 4.207 4.350 0.016 0.000 0.192 516 E C 1.625 178.151 176.600 -0.122 0.000 0.988 516 E CA 0.843 57.175 56.400 -0.113 0.000 0.834 516 E CB 0.106 29.744 29.700 -0.104 0.000 0.772 516 E HN 0.259 nan 8.360 nan 0.000 0.479 517 R N -0.953 119.443 120.500 -0.173 0.000 2.200 517 R HA -0.005 4.344 4.340 0.016 0.000 0.208 517 R C 0.309 176.250 176.300 -0.599 0.000 1.033 517 R CA 0.736 56.597 56.100 -0.398 0.000 1.000 517 R CB 0.161 30.131 30.300 -0.550 0.000 0.906 517 R HN 0.147 nan 8.270 nan 0.000 0.462 518 Y N -0.082 120.274 120.300 0.092 0.000 2.562 518 Y HA 0.263 4.822 4.550 0.016 0.000 0.363 518 Y C -1.815 174.123 175.900 0.064 0.000 0.991 518 Y CA -2.252 55.919 58.100 0.118 0.000 1.121 518 Y CB 1.187 39.794 38.460 0.244 0.000 1.159 518 Y HN -0.035 nan 8.280 nan 0.000 0.651 519 P HA -0.121 nan 4.420 nan 0.000 0.221 519 P C 0.509 177.826 177.300 0.029 0.000 1.150 519 P CA 1.382 64.509 63.100 0.045 0.000 0.800 519 P CB 0.572 32.273 31.700 0.002 0.000 0.787 520 D N -0.176 120.240 120.400 0.027 0.000 2.348 520 D HA -0.003 4.646 4.640 0.016 0.000 0.216 520 D C 0.720 176.960 176.300 -0.100 0.000 0.970 520 D CA 0.554 54.543 54.000 -0.019 0.000 0.889 520 D CB 0.136 40.939 40.800 0.005 0.000 0.912 520 D HN 0.111 nan 8.370 nan 0.000 0.524 521 V N 1.307 121.144 119.914 -0.128 0.000 2.567 521 V HA 0.139 4.269 4.120 0.016 0.000 0.289 521 V C 0.217 176.118 176.094 -0.322 0.000 1.049 521 V CA -0.608 61.465 62.300 -0.378 0.000 0.969 521 V CB 1.644 33.039 31.823 -0.714 0.000 0.995 521 V HN -0.131 nan 8.190 nan 0.000 0.471 522 Q N 2.946 122.460 119.800 -0.477 0.000 2.257 522 Q HA 0.553 4.903 4.340 0.016 0.000 0.255 522 Q C -1.256 174.346 176.000 -0.663 0.000 0.920 522 Q CA 0.059 55.600 55.803 -0.438 0.000 0.927 522 Q CB 1.324 29.774 28.738 -0.479 0.000 1.229 522 Q HN 0.591 nan 8.270 nan 0.000 0.433 523 F N 2.764 122.457 119.950 -0.428 0.000 2.325 523 F HA 0.293 4.830 4.527 0.016 0.000 0.369 523 F C -0.057 175.614 175.800 -0.216 0.000 1.095 523 F CA -0.727 57.108 58.000 -0.275 0.000 1.082 523 F CB 0.755 39.649 39.000 -0.176 0.000 1.289 523 F HN 0.421 nan 8.300 nan 0.000 0.462 524 H N 2.617 121.821 119.070 0.224 0.000 2.489 524 H HA 0.135 4.701 4.556 0.016 0.000 0.322 524 H C 0.746 176.284 175.328 0.350 0.000 1.091 524 H CA -0.168 56.029 56.048 0.250 0.000 1.291 524 H CB 1.797 31.699 29.762 0.233 0.000 1.436 524 H HN 0.694 nan 8.280 nan 0.000 0.480 525 Q N 2.111 122.160 119.800 0.415 0.000 2.425 525 Q HA 0.039 4.389 4.340 0.016 0.000 0.204 525 Q C -0.197 176.088 176.000 0.476 0.000 0.933 525 Q CA 0.385 56.414 55.803 0.378 0.000 0.939 525 Q CB 0.795 29.692 28.738 0.264 0.000 1.044 525 Q HN 0.531 nan 8.270 nan 0.000 0.513 526 T N -0.218 114.581 114.554 0.409 0.000 2.900 526 T HA 0.600 4.960 4.350 0.016 0.000 0.303 526 T C -1.786 172.870 174.700 -0.074 0.000 1.142 526 T CA -0.884 61.284 62.100 0.113 0.000 1.007 526 T CB 1.567 70.376 68.868 -0.097 0.000 1.156 526 T HN 0.492 nan 8.240 nan 0.000 0.490 527 R N 1.828 122.073 120.500 -0.425 0.000 2.710 527 R HA 0.692 5.042 4.340 0.016 0.000 0.270 527 R C -1.380 174.666 176.300 -0.423 0.000 1.021 527 R CA -0.915 54.871 56.100 -0.523 0.000 0.889 527 R CB 1.107 30.834 30.300 -0.955 0.000 1.243 527 R HN 0.484 nan 8.270 nan 0.000 0.464 528 E N 1.439 121.448 120.200 -0.318 0.000 2.376 528 E HA 0.038 4.397 4.350 0.016 0.000 0.266 528 E C -0.609 175.876 176.600 -0.191 0.000 1.009 528 E CA 0.156 56.428 56.400 -0.214 0.000 0.902 528 E CB 0.403 30.002 29.700 -0.168 0.000 0.972 528 E HN 0.523 nan 8.360 nan 0.000 0.439 529 H N 0.000 118.958 119.070 -0.187 0.000 2.539 529 H HA 0.000 4.566 4.556 0.016 0.000 0.296 529 H CA 0.000 55.964 56.048 -0.141 0.000 1.023 529 H CB 0.000 29.721 29.762 -0.067 0.000 1.292 529 H HN 0.000 nan 8.280 nan 0.000 0.496