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 3nwa_1_A DATA FIRST_RESID 103 DATA SEQUENCE DIKAENTDAN FYVcPPPTGA TVVQFEQPRR cPTRPEGQNY TEGIAVVFKE DATA SEQUENCE NIAPYKFKAT MYYKDVTVSQ VRFGHRYSQF MGIFEDRAPV PFEEVIDKIN DATA SEQUENCE AKGVcRSTAK YVRNNLETTA FHRDDHETDM ELKPANAATR TSRGWHTTDL DATA SEQUENCE KYNPSRVEAF HRYGTTVNcI VEEVDARSVY PYDEFVLATG DFVYMSPFYG DATA SEQUENCE YREGSHTEHT SYAADRFKQV DGFYARDLTT KARATAPTTR NLLTTPKFTV DATA SEQUENCE AWDWVPKRPS VcTMTKWQEV DEMLRSEYGG SFRFSSDAIS TTFTTNLTEY DATA SEQUENCE PLSRVDLGDc IGKDARDAMD RIFARRYNAT HIKVGQPQYY LANGGFLIAY DATA SEQUENCE QPLLSNTLAE LYVREHLREQ SRKPPXXXXX XXXXXXXXXV ERIKTTSSIE DATA SEQUENCE FARLQFTYNH IQRHVNDMLG RVAIAWcELQ NHELTLWNEA RKLNPNAIAS DATA SEQUENCE VTVGRRVSAR MLGDVMAVST cVPVAADNVI VQNSMRISSR PGAcYSRPLV DATA SEQUENCE SFRYEDQGPL VEGQLGENNE LRLTRDAIEP cTVGHRRYFT FGGGYVYFEE DATA SEQUENCE YAYSHQLSRA DITTVSTFID LNITMLEDHE FVPLEVYTRH EIKDSGLLDY DATA SEQUENCE TEVQRRNQLH DLRFADIDTV IH 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 103 D HA 0.000 nan 4.640 nan 0.000 0.175 103 D C 0.000 176.264 176.300 -0.059 0.000 2.045 103 D CA 0.000 53.969 54.000 -0.051 0.000 0.868 103 D CB 0.000 40.758 40.800 -0.070 0.000 0.688 104 I N 1.882 122.396 120.570 -0.092 0.000 2.301 104 I HA 0.424 4.594 4.170 0.000 0.000 0.292 104 I C 0.453 176.589 176.117 0.033 0.000 1.046 104 I CA -0.273 60.962 61.300 -0.108 0.000 1.282 104 I CB 1.264 39.081 38.000 -0.306 0.000 1.409 104 I HN 0.267 nan 8.210 nan 0.000 0.484 105 K N 4.085 124.538 120.400 0.088 0.000 2.720 105 K HA 0.778 5.098 4.320 0.000 0.000 0.281 105 K C -0.171 176.615 176.600 0.310 0.000 1.019 105 K CA -0.881 55.510 56.287 0.174 0.000 1.088 105 K CB 1.157 33.707 32.500 0.085 0.000 1.449 105 K HN 0.657 nan 8.250 nan 0.000 0.542 106 A N 0.907 123.836 122.820 0.181 0.000 2.276 106 A HA 0.169 4.489 4.320 0.000 0.000 0.316 106 A C 0.684 178.332 177.584 0.107 0.000 1.229 106 A CA -0.301 51.807 52.037 0.119 0.000 0.851 106 A CB 0.783 19.617 19.000 -0.277 0.000 1.165 106 A HN 0.799 nan 8.150 nan 0.000 0.513 107 E N 1.747 122.047 120.200 0.166 0.000 2.033 107 E HA -0.206 4.144 4.350 0.000 0.000 0.199 107 E C -0.225 176.410 176.600 0.058 0.000 1.011 107 E CA 1.665 58.138 56.400 0.121 0.000 0.815 107 E CB -0.069 29.725 29.700 0.157 0.000 0.755 107 E HN 0.855 nan 8.360 nan 0.000 0.451 108 N N -0.277 118.442 118.700 0.031 0.000 2.426 108 N HA 0.038 4.778 4.740 0.000 0.000 0.257 108 N C 0.004 175.473 175.510 -0.068 0.000 1.002 108 N CA -0.010 53.031 53.050 -0.016 0.000 0.942 108 N CB 1.687 40.160 38.487 -0.024 0.000 1.112 108 N HN -0.087 nan 8.380 nan 0.000 0.499 109 T N -0.589 113.934 114.554 -0.052 0.000 3.086 109 T HA -0.053 4.297 4.350 0.000 0.000 0.250 109 T C 0.088 174.739 174.700 -0.081 0.000 1.074 109 T CA -0.213 61.849 62.100 -0.063 0.000 0.988 109 T CB -0.214 68.635 68.868 -0.030 0.000 0.988 109 T HN 0.501 nan 8.240 nan 0.000 0.530 110 D N 2.004 122.358 120.400 -0.077 0.000 2.948 110 D HA 0.434 5.074 4.640 0.000 0.000 0.241 110 D C 0.492 176.731 176.300 -0.102 0.000 1.198 110 D CA 0.040 53.997 54.000 -0.072 0.000 0.926 110 D CB -0.428 40.341 40.800 -0.052 0.000 1.151 110 D HN 0.546 nan 8.370 nan 0.000 0.441 111 A N -0.049 122.688 122.820 -0.138 0.000 4.928 111 A HA 0.611 4.931 4.320 0.000 0.000 0.242 111 A C -1.373 176.079 177.584 -0.219 0.000 0.976 111 A CA -0.823 51.105 52.037 -0.180 0.000 0.612 111 A CB 1.301 20.142 19.000 -0.266 0.000 1.867 111 A HN 0.224 nan 8.150 nan 0.000 0.907 112 N N -0.808 117.686 118.700 -0.343 0.000 3.134 112 N HA 0.402 5.142 4.740 0.000 0.000 0.235 112 N C -2.009 173.159 175.510 -0.569 0.000 1.092 112 N CA -0.281 52.540 53.050 -0.383 0.000 1.038 112 N CB 0.771 39.074 38.487 -0.306 0.000 1.684 112 N HN 0.358 nan 8.380 nan 0.000 0.551 113 F N 1.987 121.708 119.950 -0.382 0.000 2.380 113 F HA 0.562 5.089 4.527 0.000 0.000 0.321 113 F C -0.218 175.251 175.800 -0.551 0.000 1.103 113 F CA 0.083 57.903 58.000 -0.299 0.000 1.067 113 F CB 0.722 39.584 39.000 -0.230 0.000 1.265 113 F HN 0.307 nan 8.300 nan 0.000 0.517 114 Y N -0.438 119.925 120.300 0.105 0.000 2.470 114 Y HA 0.551 5.101 4.550 0.000 0.000 0.341 114 Y C -0.848 175.054 175.900 0.003 0.000 1.021 114 Y CA -1.205 56.922 58.100 0.045 0.000 1.025 114 Y CB 1.576 40.057 38.460 0.036 0.000 1.266 114 Y HN 0.169 nan 8.280 nan 0.000 0.448 115 V N 2.047 122.058 119.914 0.161 0.000 2.472 115 V HA 0.397 4.517 4.120 0.000 0.000 0.290 115 V C -0.645 175.546 176.094 0.161 0.000 1.037 115 V CA -0.584 61.787 62.300 0.119 0.000 0.908 115 V CB 1.485 33.413 31.823 0.175 0.000 0.985 115 V HN 0.939 nan 8.190 nan 0.000 0.454 116 c N 6.216 124.892 118.600 0.126 0.000 2.647 116 c HA 0.381 4.951 4.570 0.000 0.000 0.273 116 c C -2.510 171.636 174.090 0.093 0.000 1.088 116 c CA -1.397 54.995 56.329 0.104 0.000 1.529 116 c CB 0.441 43.000 42.510 0.081 0.000 1.810 116 c HN 0.676 nan 8.230 nan 0.000 0.422 117 P HA 0.161 nan 4.420 nan 0.000 0.264 117 P C -2.269 175.067 177.300 0.060 0.000 1.229 117 P CA -0.408 62.739 63.100 0.079 0.000 0.780 117 P CB -0.138 31.606 31.700 0.073 0.000 0.808 118 P HA -0.027 nan 4.420 nan 0.000 0.268 118 P C -2.350 174.971 177.300 0.035 0.000 1.189 118 P CA -0.376 62.749 63.100 0.043 0.000 0.771 118 P CB -0.812 30.912 31.700 0.040 0.000 0.822 119 P HA 0.086 nan 4.420 nan 0.000 0.287 119 P C 0.813 178.125 177.300 0.019 0.000 1.307 119 P CA -0.141 62.973 63.100 0.024 0.000 0.777 119 P CB 0.357 32.070 31.700 0.021 0.000 0.883 120 T N -0.085 114.480 114.554 0.018 0.000 2.915 120 T HA 0.077 4.427 4.350 0.000 0.000 0.269 120 T C 1.297 176.003 174.700 0.011 0.000 1.071 120 T CA 1.179 63.288 62.100 0.015 0.000 1.132 120 T CB -0.770 68.106 68.868 0.014 0.000 0.878 120 T HN 0.590 nan 8.240 nan 0.000 0.479 121 G N -0.035 108.771 108.800 0.010 0.000 2.198 121 G HA2 0.080 4.040 3.960 0.000 0.000 0.156 121 G HA3 0.080 4.040 3.960 0.000 0.000 0.156 121 G C 0.988 175.893 174.900 0.007 0.000 1.012 121 G CA 0.240 45.344 45.100 0.007 0.000 0.692 121 G HN 0.814 nan 8.290 nan 0.000 0.492 122 A N -0.223 122.603 122.820 0.009 0.000 1.883 122 A HA 0.328 4.648 4.320 0.000 0.000 0.217 122 A C 1.429 179.019 177.584 0.009 0.000 1.186 122 A CA 2.387 54.429 52.037 0.009 0.000 0.624 122 A CB -0.256 18.750 19.000 0.011 0.000 0.822 122 A HN 0.985 nan 8.150 nan 0.000 0.444 123 T N -0.466 114.095 114.554 0.011 0.000 2.792 123 T HA 0.587 4.937 4.350 0.000 0.000 0.280 123 T C -0.894 173.813 174.700 0.011 0.000 0.990 123 T CA -0.409 61.699 62.100 0.012 0.000 0.960 123 T CB 1.718 70.595 68.868 0.015 0.000 0.939 123 T HN 0.051 nan 8.240 nan 0.000 0.439 124 V N 3.332 123.252 119.914 0.010 0.000 2.925 124 V HA 0.841 4.961 4.120 0.000 0.000 0.311 124 V C -0.595 175.506 176.094 0.011 0.000 1.104 124 V CA -0.734 61.569 62.300 0.006 0.000 0.954 124 V CB 2.306 34.128 31.823 -0.001 0.000 1.022 124 V HN 0.893 nan 8.190 nan 0.000 0.427 125 V N 1.790 121.711 119.914 0.012 0.000 3.159 125 V HA 0.811 4.931 4.120 0.000 0.000 0.308 125 V C -1.122 174.983 176.094 0.019 0.000 1.190 125 V CA -0.779 61.539 62.300 0.030 0.000 1.037 125 V CB 1.826 33.687 31.823 0.062 0.000 1.060 125 V HN 0.999 nan 8.190 nan 0.000 0.437 126 Q N 0.899 120.733 119.800 0.057 0.000 2.496 126 Q HA 0.653 4.993 4.340 0.000 0.000 0.286 126 Q C -1.458 174.689 176.000 0.245 0.000 1.103 126 Q CA -0.887 54.946 55.803 0.050 0.000 0.813 126 Q CB 2.782 31.539 28.738 0.032 0.000 1.444 126 Q HN 0.705 nan 8.270 nan 0.000 0.443 127 F N 0.671 120.612 119.950 -0.015 0.000 2.384 127 F HA 0.209 4.736 4.527 0.000 0.000 0.338 127 F C 0.830 176.614 175.800 -0.026 0.000 1.103 127 F CA -0.927 57.056 58.000 -0.029 0.000 1.157 127 F CB 1.443 40.432 39.000 -0.018 0.000 1.167 127 F HN 0.684 nan 8.300 nan 0.000 0.529 128 E N 3.024 123.288 120.200 0.107 0.000 2.415 128 E HA -0.034 4.316 4.350 0.000 0.000 0.263 128 E C -0.338 176.292 176.600 0.051 0.000 0.995 128 E CA -0.687 55.738 56.400 0.041 0.000 0.915 128 E CB 0.703 30.388 29.700 -0.024 0.000 0.951 128 E HN 0.443 nan 8.360 nan 0.000 0.449 129 Q N 3.276 123.105 119.800 0.048 0.000 2.396 129 Q HA 0.248 4.588 4.340 0.000 0.000 0.221 129 Q C -2.112 173.904 176.000 0.028 0.000 1.025 129 Q CA -1.779 54.051 55.803 0.045 0.000 0.946 129 Q CB -0.089 28.672 28.738 0.039 0.000 1.224 129 Q HN 0.496 nan 8.270 nan 0.000 0.539 130 P HA 0.032 nan 4.420 nan 0.000 0.263 130 P C -0.487 176.825 177.300 0.021 0.000 1.195 130 P CA 0.443 63.558 63.100 0.025 0.000 0.762 130 P CB 0.425 32.144 31.700 0.032 0.000 0.799 131 R N 2.532 123.043 120.500 0.018 0.000 2.543 131 R HA 0.187 4.527 4.340 0.000 0.000 0.277 131 R C 0.812 177.127 176.300 0.024 0.000 1.074 131 R CA -0.531 55.582 56.100 0.021 0.000 1.076 131 R CB 0.524 30.839 30.300 0.025 0.000 0.993 131 R HN 0.437 nan 8.270 nan 0.000 0.459 132 R N 2.938 123.452 120.500 0.023 0.000 2.404 132 R HA 0.016 4.356 4.340 0.000 0.000 0.315 132 R C -0.518 175.798 176.300 0.026 0.000 1.032 132 R CA -0.268 55.846 56.100 0.022 0.000 0.992 132 R CB 0.086 30.398 30.300 0.019 0.000 0.959 132 R HN 0.613 nan 8.270 nan 0.000 0.428 133 c N 6.026 124.643 118.600 0.028 0.000 2.639 133 c HA 0.299 4.869 4.570 0.000 0.000 0.360 133 c C -1.662 172.444 174.090 0.028 0.000 1.351 133 c CA -1.080 55.269 56.329 0.034 0.000 2.408 133 c CB 0.101 42.631 42.510 0.034 0.000 2.517 133 c HN 0.697 nan 8.230 nan 0.000 0.696 134 P HA 0.398 nan 4.420 nan 0.000 0.276 134 P C -0.679 176.631 177.300 0.017 0.000 1.261 134 P CA -0.036 63.076 63.100 0.020 0.000 0.800 134 P CB 0.429 32.141 31.700 0.019 0.000 1.066 135 T N -2.297 112.264 114.554 0.012 0.000 2.876 135 T HA 0.544 4.894 4.350 0.000 0.000 0.289 135 T C -0.210 174.494 174.700 0.006 0.000 1.014 135 T CA -1.133 60.973 62.100 0.009 0.000 0.986 135 T CB 1.132 70.006 68.868 0.009 0.000 1.021 135 T HN 0.130 nan 8.240 nan 0.000 0.458 136 R N 2.321 122.823 120.500 0.004 0.000 2.449 136 R HA 0.367 4.707 4.340 0.000 0.000 0.296 136 R C -2.098 174.204 176.300 0.004 0.000 1.047 136 R CA -1.060 55.041 56.100 0.001 0.000 1.018 136 R CB -0.274 30.026 30.300 -0.001 0.000 0.962 136 R HN 0.501 nan 8.270 nan 0.000 0.428 137 P HA -0.099 nan 4.420 nan 0.000 0.266 137 P C 0.134 177.440 177.300 0.009 0.000 1.193 137 P CA 0.066 63.171 63.100 0.008 0.000 0.770 137 P CB 0.579 32.286 31.700 0.011 0.000 0.836 138 E N 0.857 121.063 120.200 0.010 0.000 2.331 138 E HA -0.039 4.311 4.350 0.000 0.000 0.199 138 E C 0.596 177.205 176.600 0.014 0.000 1.008 138 E CA 0.854 57.261 56.400 0.010 0.000 0.843 138 E CB -0.295 29.409 29.700 0.007 0.000 0.761 138 E HN 0.787 nan 8.360 nan 0.000 0.507 139 G N 1.319 110.129 108.800 0.016 0.000 2.911 139 G HA2 -0.204 3.756 3.960 0.000 0.000 0.686 139 G HA3 -0.204 3.756 3.960 0.000 0.000 0.686 139 G C -0.798 174.112 174.900 0.016 0.000 1.136 139 G CA -0.534 44.581 45.100 0.026 0.000 0.764 139 G HN 0.117 nan 8.290 nan 0.000 0.626 140 Q N 0.822 120.634 119.800 0.020 0.000 2.289 140 Q HA 0.363 4.703 4.340 0.000 0.000 0.273 140 Q C 0.405 176.307 176.000 -0.163 0.000 1.029 140 Q CA -0.055 55.688 55.803 -0.100 0.000 0.896 140 Q CB 0.393 29.040 28.738 -0.152 0.000 1.182 140 Q HN 0.543 nan 8.270 nan 0.000 0.385 141 N N 4.492 123.046 118.700 -0.243 0.000 2.414 141 N HA 0.163 4.903 4.740 0.000 0.000 0.256 141 N C -1.278 174.063 175.510 -0.282 0.000 1.029 141 N CA 0.001 52.962 53.050 -0.148 0.000 0.948 141 N CB 0.514 38.961 38.487 -0.068 0.000 1.102 141 N HN 0.477 nan 8.380 nan 0.000 0.496 142 Y N 0.193 120.496 120.300 0.004 0.000 2.377 142 Y HA 0.277 4.827 4.550 0.000 0.000 0.339 142 Y C 0.761 176.663 175.900 0.004 0.000 1.011 142 Y CA -0.672 57.423 58.100 -0.008 0.000 1.093 142 Y CB 1.539 39.993 38.460 -0.010 0.000 1.201 142 Y HN 0.238 nan 8.280 nan 0.000 0.455 143 T N 3.270 117.897 114.554 0.122 0.000 2.806 143 T HA 0.260 4.610 4.350 0.000 0.000 0.290 143 T C -0.454 174.326 174.700 0.133 0.000 0.966 143 T CA -1.025 61.135 62.100 0.100 0.000 1.060 143 T CB 0.475 69.378 68.868 0.058 0.000 0.927 143 T HN 0.488 nan 8.240 nan 0.000 0.485 144 E N 1.290 121.548 120.200 0.097 0.000 2.313 144 E HA 0.553 4.903 4.350 0.000 0.000 0.276 144 E C 0.190 176.748 176.600 -0.069 0.000 1.031 144 E CA -0.874 55.550 56.400 0.040 0.000 0.857 144 E CB 1.127 30.835 29.700 0.013 0.000 1.040 144 E HN 0.779 nan 8.360 nan 0.000 0.408 145 G N 2.263 111.005 108.800 -0.097 0.000 2.732 145 G HA2 0.435 4.395 3.960 0.000 0.000 0.296 145 G HA3 0.435 4.395 3.960 0.000 0.000 0.296 145 G C -0.860 173.893 174.900 -0.246 0.000 1.448 145 G CA -0.876 43.980 45.100 -0.406 0.000 0.911 145 G HN 0.401 nan 8.290 nan 0.000 0.528 146 I N 0.994 121.368 120.570 -0.327 0.000 2.472 146 I HA 0.577 4.747 4.170 0.000 0.000 0.290 146 I C 0.647 176.718 176.117 -0.075 0.000 1.016 146 I CA -0.414 60.806 61.300 -0.134 0.000 1.348 146 I CB 1.741 39.676 38.000 -0.109 0.000 1.417 146 I HN 0.614 nan 8.210 nan 0.000 0.521 147 A N 5.790 128.628 122.820 0.030 0.000 2.449 147 A HA 0.794 5.114 4.320 0.000 0.000 0.302 147 A C -1.078 176.511 177.584 0.008 0.000 1.048 147 A CA -0.502 51.578 52.037 0.072 0.000 0.708 147 A CB 1.713 20.807 19.000 0.157 0.000 1.274 147 A HN 0.410 nan 8.150 nan 0.000 0.410 148 V N 2.384 122.306 119.914 0.013 0.000 2.444 148 V HA 0.478 4.598 4.120 0.000 0.000 0.294 148 V C -0.372 175.689 176.094 -0.055 0.000 1.022 148 V CA -0.584 61.682 62.300 -0.057 0.000 0.850 148 V CB 1.466 33.279 31.823 -0.016 0.000 0.992 148 V HN 0.672 nan 8.190 nan 0.000 0.426 149 V N 5.360 125.177 119.914 -0.163 0.000 2.427 149 V HA 0.567 4.687 4.120 0.000 0.000 0.286 149 V C -0.477 175.605 176.094 -0.020 0.000 1.034 149 V CA -0.391 61.892 62.300 -0.027 0.000 0.893 149 V CB 1.305 33.107 31.823 -0.034 0.000 0.982 149 V HN 0.638 nan 8.190 nan 0.000 0.452 150 F N 3.250 123.322 119.950 0.203 0.000 2.541 150 F HA 0.756 5.283 4.527 0.000 0.000 0.331 150 F C 0.332 176.244 175.800 0.187 0.000 1.057 150 F CA -0.841 57.283 58.000 0.207 0.000 0.975 150 F CB 1.774 40.844 39.000 0.116 0.000 1.246 150 F HN 0.466 nan 8.300 nan 0.000 0.484 151 K N -0.336 120.228 120.400 0.275 0.000 2.482 151 K HA 0.410 4.730 4.320 0.000 0.000 0.257 151 K C -1.010 175.577 176.600 -0.021 0.000 0.969 151 K CA -1.051 55.239 56.287 0.005 0.000 0.842 151 K CB 2.056 34.455 32.500 -0.168 0.000 1.359 151 K HN 0.648 nan 8.250 nan 0.000 0.441 152 E N 1.566 121.686 120.200 -0.134 0.000 2.608 152 E HA -0.175 4.175 4.350 0.000 0.000 0.259 152 E C -0.795 175.771 176.600 -0.056 0.000 0.951 152 E CA 0.181 56.517 56.400 -0.108 0.000 0.945 152 E CB 0.320 29.927 29.700 -0.157 0.000 0.916 152 E HN 0.553 nan 8.360 nan 0.000 0.477 153 N N 4.430 123.122 118.700 -0.012 0.000 2.411 153 N HA 0.068 4.808 4.740 0.000 0.000 0.259 153 N C 0.601 176.123 175.510 0.021 0.000 1.103 153 N CA -0.115 52.953 53.050 0.031 0.000 0.954 153 N CB 0.471 39.007 38.487 0.081 0.000 1.085 153 N HN 0.583 nan 8.380 nan 0.000 0.485 154 I N 0.813 121.394 120.570 0.019 0.000 4.057 154 I HA 0.501 4.671 4.170 0.000 0.000 0.334 154 I C 0.402 176.549 176.117 0.052 0.000 1.308 154 I CA -0.614 60.696 61.300 0.018 0.000 1.125 154 I CB 0.281 38.274 38.000 -0.011 0.000 1.034 154 I HN 0.317 nan 8.210 nan 0.000 0.401 155 A N 2.763 125.629 122.820 0.077 0.000 2.401 155 A HA 0.631 4.951 4.320 0.000 0.000 0.259 155 A C -2.398 175.277 177.584 0.152 0.000 1.103 155 A CA -1.102 50.992 52.037 0.094 0.000 0.789 155 A CB -0.475 18.581 19.000 0.094 0.000 1.035 155 A HN 0.140 nan 8.150 nan 0.000 0.491 156 P HA 0.172 nan 4.420 nan 0.000 0.274 156 P C -0.701 176.770 177.300 0.284 0.000 1.231 156 P CA -0.113 63.115 63.100 0.213 0.000 0.790 156 P CB 0.253 32.026 31.700 0.122 0.000 0.951 157 Y N 2.451 122.928 120.300 0.294 0.000 2.497 157 Y HA 0.211 4.761 4.550 0.000 0.000 0.334 157 Y C 0.056 176.071 175.900 0.191 0.000 1.199 157 Y CA 0.388 58.620 58.100 0.220 0.000 1.425 157 Y CB 0.440 39.008 38.460 0.181 0.000 1.291 157 Y HN 0.225 nan 8.280 nan 0.000 0.562 158 K N 7.100 127.173 120.400 -0.545 0.000 2.427 158 K HA 0.558 4.878 4.320 0.000 0.000 0.252 158 K C -1.652 174.661 176.600 -0.478 0.000 0.931 158 K CA -0.620 55.418 56.287 -0.415 0.000 0.793 158 K CB 1.898 34.275 32.500 -0.205 0.000 1.211 158 K HN 0.615 nan 8.250 nan 0.000 0.426 159 F N -1.255 118.376 119.950 -0.531 0.000 2.741 159 F HA 0.559 5.086 4.527 0.000 0.000 0.313 159 F C -1.463 174.206 175.800 -0.219 0.000 1.153 159 F CA -1.423 56.348 58.000 -0.381 0.000 0.931 159 F CB 0.971 39.711 39.000 -0.433 0.000 1.335 159 F HN -0.052 nan 8.300 nan 0.000 0.460 160 K N 1.790 122.194 120.400 0.007 0.000 2.213 160 K HA 0.806 5.126 4.320 0.000 0.000 0.270 160 K C -0.623 176.026 176.600 0.082 0.000 1.002 160 K CA -0.461 55.807 56.287 -0.031 0.000 0.868 160 K CB 1.443 33.968 32.500 0.042 0.000 1.093 160 K HN 0.959 nan 8.250 nan 0.000 0.454 161 A N 1.941 124.745 122.820 -0.027 0.000 2.430 161 A HA 0.814 5.134 4.320 0.000 0.000 0.300 161 A C -0.735 176.882 177.584 0.056 0.000 1.124 161 A CA -0.556 51.540 52.037 0.099 0.000 0.766 161 A CB 1.315 20.327 19.000 0.019 0.000 1.328 161 A HN 0.519 nan 8.150 nan 0.000 0.424 162 T N 1.545 116.155 114.554 0.092 0.000 2.861 162 T HA 0.565 4.915 4.350 0.000 0.000 0.287 162 T C -0.378 174.199 174.700 -0.206 0.000 1.003 162 T CA -0.178 61.873 62.100 -0.082 0.000 0.977 162 T CB 1.048 69.852 68.868 -0.107 0.000 0.996 162 T HN 0.565 nan 8.240 nan 0.000 0.448 163 M N 2.835 122.263 119.600 -0.287 0.000 2.363 163 M HA 0.505 4.985 4.480 0.000 0.000 0.343 163 M C -1.402 174.671 176.300 -0.379 0.000 1.165 163 M CA -0.652 54.547 55.300 -0.167 0.000 1.046 163 M CB 1.158 33.731 32.600 -0.045 0.000 1.648 163 M HN 0.584 nan 8.290 nan 0.000 0.452 164 Y N 2.817 123.278 120.300 0.268 0.000 2.332 164 Y HA 0.564 5.114 4.550 0.000 0.000 0.326 164 Y C -0.765 175.303 175.900 0.280 0.000 0.978 164 Y CA -0.990 57.219 58.100 0.182 0.000 1.205 164 Y CB 0.693 39.226 38.460 0.122 0.000 1.131 164 Y HN 0.630 nan 8.280 nan 0.000 0.462 165 Y N -0.802 119.600 120.300 0.170 0.000 2.744 165 Y HA 0.821 5.371 4.550 0.000 0.000 0.330 165 Y C -1.802 174.128 175.900 0.051 0.000 1.263 165 Y CA -1.981 56.183 58.100 0.107 0.000 1.065 165 Y CB 1.656 40.185 38.460 0.115 0.000 1.306 165 Y HN 0.264 nan 8.280 nan 0.000 0.459 166 K N 0.991 121.473 120.400 0.137 0.000 2.427 166 K HA 0.296 4.616 4.320 0.000 0.000 0.252 166 K C -1.984 174.678 176.600 0.104 0.000 0.931 166 K CA -1.019 55.279 56.287 0.019 0.000 0.793 166 K CB 2.171 34.669 32.500 -0.003 0.000 1.211 166 K HN 0.551 nan 8.250 nan 0.000 0.426 167 D N 2.130 122.574 120.400 0.073 0.000 2.343 167 D HA 0.132 4.772 4.640 0.000 0.000 0.255 167 D C -0.660 175.664 176.300 0.039 0.000 1.187 167 D CA -0.019 54.023 54.000 0.069 0.000 0.875 167 D CB 1.317 42.156 40.800 0.064 0.000 1.136 167 D HN 0.053 nan 8.370 nan 0.000 0.469 168 V N 3.422 123.343 119.914 0.011 0.000 2.350 168 V HA 0.298 4.418 4.120 0.000 0.000 0.285 168 V C 0.213 176.305 176.094 -0.003 0.000 1.014 168 V CA -0.442 61.888 62.300 0.050 0.000 0.831 168 V CB 1.742 33.625 31.823 0.101 0.000 1.000 168 V HN 0.452 nan 8.190 nan 0.000 0.433 169 T N 4.291 118.894 114.554 0.082 0.000 2.807 169 T HA 0.550 4.900 4.350 0.000 0.000 0.279 169 T C -0.668 174.155 174.700 0.204 0.000 0.993 169 T CA -0.422 61.727 62.100 0.081 0.000 0.970 169 T CB 1.860 70.778 68.868 0.082 0.000 0.950 169 T HN 0.507 nan 8.240 nan 0.000 0.441 170 V N 3.949 124.024 119.914 0.269 0.000 2.409 170 V HA 0.719 4.839 4.120 0.000 0.000 0.290 170 V C -0.171 176.128 176.094 0.342 0.000 1.017 170 V CA -0.508 62.001 62.300 0.349 0.000 0.841 170 V CB 1.204 33.275 31.823 0.413 0.000 1.003 170 V HN 1.015 nan 8.190 nan 0.000 0.426 171 S N 4.636 120.507 115.700 0.286 0.000 2.654 171 S HA 0.892 5.362 4.470 0.000 0.000 0.283 171 S C -0.136 174.579 174.600 0.191 0.000 1.180 171 S CA -0.001 58.353 58.200 0.256 0.000 1.021 171 S CB 1.689 65.066 63.200 0.295 0.000 1.018 171 S HN 1.729 nan 8.310 nan 0.000 0.532 172 Q N 0.443 120.293 119.800 0.083 0.000 2.321 172 Q HA 0.692 5.032 4.340 0.000 0.000 0.270 172 Q C -1.170 174.694 176.000 -0.227 0.000 1.032 172 Q CA -1.030 54.597 55.803 -0.292 0.000 0.784 172 Q CB 1.652 30.041 28.738 -0.582 0.000 1.264 172 Q HN 0.884 nan 8.270 nan 0.000 0.448 173 V N 2.015 121.691 119.914 -0.397 0.000 2.555 173 V HA 0.744 4.864 4.120 0.000 0.000 0.302 173 V C -0.006 175.637 176.094 -0.751 0.000 1.038 173 V CA -0.861 61.076 62.300 -0.606 0.000 0.887 173 V CB 1.740 33.093 31.823 -0.784 0.000 0.991 173 V HN 0.997 nan 8.190 nan 0.000 0.434 174 R N 3.599 123.696 120.500 -0.672 0.000 2.393 174 R HA 0.665 5.005 4.340 0.000 0.000 0.310 174 R C -1.703 174.176 176.300 -0.700 0.000 0.968 174 R CA -0.299 55.489 56.100 -0.520 0.000 0.867 174 R CB 1.101 31.276 30.300 -0.209 0.000 1.124 174 R HN 0.466 nan 8.270 nan 0.000 0.450 175 F N 2.166 121.966 119.950 -0.250 0.000 2.480 175 F HA 0.770 5.297 4.527 0.000 0.000 0.329 175 F C 0.958 176.462 175.800 -0.493 0.000 1.091 175 F CA -0.232 57.530 58.000 -0.397 0.000 0.972 175 F CB 2.555 41.383 39.000 -0.287 0.000 1.150 175 F HN 0.807 nan 8.300 nan 0.000 0.467 176 G N -1.290 107.092 108.800 -0.697 0.000 2.682 176 G HA2 0.546 4.506 3.960 0.000 0.000 0.303 176 G HA3 0.546 4.506 3.960 0.000 0.000 0.303 176 G C -2.100 172.549 174.900 -0.418 0.000 1.341 176 G CA -0.576 44.187 45.100 -0.563 0.000 0.784 176 G HN 0.977 nan 8.290 nan 0.000 0.497 177 H N -0.551 118.500 119.070 -0.031 0.000 2.623 177 H HA 0.873 5.429 4.556 0.000 0.000 0.299 177 H C -0.022 175.431 175.328 0.210 0.000 1.052 177 H CA -0.435 55.645 56.048 0.053 0.000 1.231 177 H CB 1.006 30.791 29.762 0.038 0.000 1.389 177 H HN 0.627 nan 8.280 nan 0.000 0.469 178 R N 3.066 123.693 120.500 0.212 0.000 2.468 178 R HA 0.511 4.851 4.340 0.000 0.000 0.302 178 R C -1.590 174.807 176.300 0.162 0.000 1.041 178 R CA -0.515 55.637 56.100 0.086 0.000 0.899 178 R CB 0.313 30.631 30.300 0.030 0.000 1.167 178 R HN 0.842 nan 8.270 nan 0.000 0.483 179 Y N -0.801 119.509 120.300 0.017 0.000 2.764 179 Y HA 0.691 5.241 4.550 0.000 0.000 0.331 179 Y C -1.539 174.362 175.900 0.001 0.000 1.280 179 Y CA -1.191 56.907 58.100 -0.003 0.000 1.065 179 Y CB 1.070 39.515 38.460 -0.025 0.000 1.319 179 Y HN 0.252 nan 8.280 nan 0.000 0.453 180 S N 0.873 116.597 115.700 0.039 0.000 2.570 180 S HA 0.620 5.090 4.470 0.000 0.000 0.286 180 S C -1.661 172.880 174.600 -0.098 0.000 1.099 180 S CA -0.976 57.107 58.200 -0.195 0.000 0.913 180 S CB 2.154 65.201 63.200 -0.254 0.000 1.085 180 S HN 0.766 nan 8.310 nan 0.000 0.480 181 Q N 1.095 120.736 119.800 -0.265 0.000 2.289 181 Q HA 0.501 4.841 4.340 0.000 0.000 0.270 181 Q C -1.807 174.008 176.000 -0.308 0.000 1.038 181 Q CA -0.662 55.036 55.803 -0.174 0.000 0.812 181 Q CB 1.039 29.804 28.738 0.046 0.000 1.300 181 Q HN 0.585 nan 8.270 nan 0.000 0.427 182 F N 3.262 123.155 119.950 -0.096 0.000 2.529 182 F HA 0.093 4.620 4.527 0.000 0.000 0.365 182 F C 1.362 177.111 175.800 -0.083 0.000 1.102 182 F CA 0.118 58.055 58.000 -0.104 0.000 1.271 182 F CB 0.621 39.588 39.000 -0.055 0.000 1.120 182 F HN 0.585 nan 8.300 nan 0.000 0.579 183 M N 1.632 121.278 119.600 0.076 0.000 2.567 183 M HA 0.288 4.768 4.480 0.000 0.000 0.261 183 M C 0.727 177.078 176.300 0.085 0.000 1.180 183 M CA 0.422 55.744 55.300 0.037 0.000 1.143 183 M CB -0.116 32.458 32.600 -0.044 0.000 1.319 183 M HN 0.670 nan 8.290 nan 0.000 0.490 184 G N 0.500 109.375 108.800 0.124 0.000 2.632 184 G HA2 0.643 4.603 3.960 0.000 0.000 0.292 184 G HA3 0.643 4.603 3.960 0.000 0.000 0.292 184 G C -1.720 173.270 174.900 0.150 0.000 1.465 184 G CA -0.564 44.619 45.100 0.138 0.000 0.824 184 G HN 0.115 nan 8.290 nan 0.000 0.509 185 I N 0.781 121.421 120.570 0.117 0.000 2.548 185 I HA 0.329 4.499 4.170 0.000 0.000 0.287 185 I C -1.510 174.725 176.117 0.196 0.000 1.103 185 I CA -0.608 60.757 61.300 0.107 0.000 1.049 185 I CB 2.390 40.344 38.000 -0.077 0.000 1.232 185 I HN 0.437 nan 8.210 nan 0.000 0.429 186 F N 6.858 126.857 119.950 0.082 0.000 2.361 186 F HA 0.511 5.038 4.527 0.000 0.000 0.364 186 F C -0.167 175.684 175.800 0.086 0.000 1.117 186 F CA -0.448 57.603 58.000 0.086 0.000 1.071 186 F CB 0.755 39.821 39.000 0.110 0.000 1.188 186 F HN 0.402 nan 8.300 nan 0.000 0.464 187 E N 4.009 124.016 120.200 -0.322 0.000 2.191 187 E HA 0.443 4.793 4.350 0.000 0.000 0.274 187 E C -1.435 174.844 176.600 -0.535 0.000 0.948 187 E CA -0.879 55.307 56.400 -0.356 0.000 0.802 187 E CB 1.889 31.505 29.700 -0.140 0.000 1.137 187 E HN 0.498 nan 8.360 nan 0.000 0.397 188 D N 0.726 120.889 120.400 -0.396 0.000 2.706 188 D HA 0.221 4.861 4.640 0.000 0.000 0.225 188 D C -1.462 174.753 176.300 -0.140 0.000 1.241 188 D CA -0.638 53.189 54.000 -0.288 0.000 0.784 188 D CB 1.340 41.911 40.800 -0.382 0.000 1.521 188 D HN 0.235 nan 8.370 nan 0.000 0.461 189 R N 1.081 121.517 120.500 -0.107 0.000 2.387 189 R HA 0.820 5.160 4.340 0.000 0.000 0.314 189 R C -0.789 175.393 176.300 -0.197 0.000 0.958 189 R CA -0.883 55.184 56.100 -0.056 0.000 0.846 189 R CB 1.909 32.182 30.300 -0.045 0.000 1.147 189 R HN 0.343 nan 8.270 nan 0.000 0.447 190 A N 5.014 127.677 122.820 -0.262 0.000 2.318 190 A HA 0.547 4.867 4.320 0.000 0.000 0.324 190 A C -2.372 175.118 177.584 -0.157 0.000 1.170 190 A CA -2.000 49.684 52.037 -0.588 0.000 0.810 190 A CB 0.788 19.225 19.000 -0.939 0.000 1.198 190 A HN 0.424 nan 8.150 nan 0.000 0.484 191 P HA 0.165 nan 4.420 nan 0.000 0.271 191 P C -0.318 177.031 177.300 0.082 0.000 1.226 191 P CA 0.144 63.276 63.100 0.054 0.000 0.765 191 P CB 0.854 32.565 31.700 0.017 0.000 0.835 192 V N 6.797 126.798 119.914 0.145 0.000 2.470 192 V HA 0.118 4.238 4.120 0.000 0.000 0.276 192 V C -1.795 174.350 176.094 0.085 0.000 1.040 192 V CA -1.467 60.896 62.300 0.105 0.000 1.008 192 V CB 0.113 32.008 31.823 0.120 0.000 0.990 192 V HN 0.527 nan 8.190 nan 0.000 0.477 193 P HA 0.034 nan 4.420 nan 0.000 0.269 193 P C 0.675 178.012 177.300 0.060 0.000 1.209 193 P CA -0.222 62.927 63.100 0.081 0.000 0.776 193 P CB 0.417 32.158 31.700 0.070 0.000 0.876 194 F N 3.901 123.826 119.950 -0.041 0.000 2.063 194 F HA -0.343 4.184 4.527 0.000 0.000 0.298 194 F C 1.853 177.607 175.800 -0.077 0.000 1.105 194 F CA 2.509 60.463 58.000 -0.077 0.000 1.215 194 F CB -0.736 38.223 39.000 -0.068 0.000 0.972 194 F HN 0.431 nan 8.300 nan 0.000 0.483 195 E N -0.020 120.061 120.200 -0.200 0.000 2.160 195 E HA -0.264 4.086 4.350 0.000 0.000 0.195 195 E C 2.060 178.496 176.600 -0.274 0.000 0.991 195 E CA 1.810 58.029 56.400 -0.302 0.000 0.810 195 E CB -0.938 28.726 29.700 -0.060 0.000 0.742 195 E HN 0.749 nan 8.360 nan 0.000 0.466 196 E N 0.586 120.675 120.200 -0.185 0.000 2.112 196 E HA -0.094 4.256 4.350 0.000 0.000 0.190 196 E C 1.949 178.419 176.600 -0.216 0.000 0.979 196 E CA 0.943 57.250 56.400 -0.155 0.000 0.814 196 E CB 0.196 29.843 29.700 -0.088 0.000 0.762 196 E HN 0.236 nan 8.360 nan 0.000 0.460 197 V N 1.640 121.373 119.914 -0.301 0.000 2.490 197 V HA -0.238 3.882 4.120 0.000 0.000 0.250 197 V C 2.226 178.114 176.094 -0.343 0.000 1.061 197 V CA 1.003 63.046 62.300 -0.429 0.000 1.064 197 V CB -0.302 31.144 31.823 -0.629 0.000 0.670 197 V HN 0.357 nan 8.190 nan 0.000 0.461 198 I N 0.108 120.443 120.570 -0.392 0.000 2.364 198 I HA -0.034 4.136 4.170 0.000 0.000 0.241 198 I C 1.888 177.874 176.117 -0.219 0.000 1.082 198 I CA 1.377 62.484 61.300 -0.322 0.000 1.401 198 I CB -1.046 36.618 38.000 -0.561 0.000 1.126 198 I HN 0.314 nan 8.210 nan 0.000 0.429 199 D N 0.380 120.647 120.400 -0.222 0.000 2.349 199 D HA -0.012 4.628 4.640 0.000 0.000 0.215 199 D C 1.900 178.129 176.300 -0.117 0.000 1.016 199 D CA 0.554 54.465 54.000 -0.148 0.000 0.870 199 D CB 0.591 41.312 40.800 -0.132 0.000 0.917 199 D HN 0.267 nan 8.370 nan 0.000 0.524 200 K N -0.146 120.178 120.400 -0.127 0.000 2.448 200 K HA 0.266 4.586 4.320 0.000 0.000 0.220 200 K C 2.157 178.698 176.600 -0.099 0.000 1.259 200 K CA -0.121 56.106 56.287 -0.099 0.000 0.810 200 K CB 0.007 32.454 32.500 -0.088 0.000 1.540 200 K HN 0.027 nan 8.250 nan 0.000 0.434 201 I N 1.857 122.359 120.570 -0.113 0.000 2.090 201 I HA -0.258 3.912 4.170 0.000 0.000 0.236 201 I C 2.040 178.097 176.117 -0.100 0.000 1.064 201 I CA 1.572 62.814 61.300 -0.097 0.000 1.324 201 I CB -0.435 37.514 38.000 -0.084 0.000 1.044 201 I HN 0.200 nan 8.210 nan 0.000 0.399 202 N N 0.545 119.183 118.700 -0.102 0.000 2.459 202 N HA -0.064 4.676 4.740 0.000 0.000 0.181 202 N C 1.575 177.024 175.510 -0.103 0.000 1.046 202 N CA 1.050 54.054 53.050 -0.076 0.000 0.904 202 N CB 0.107 38.586 38.487 -0.013 0.000 0.964 202 N HN 0.359 nan 8.380 nan 0.000 0.444 203 A N 0.369 123.126 122.820 -0.106 0.000 1.843 203 A HA 0.033 4.353 4.320 0.000 0.000 0.213 203 A C 1.610 179.141 177.584 -0.088 0.000 1.202 203 A CA 1.233 53.211 52.037 -0.100 0.000 0.607 203 A CB 0.009 18.950 19.000 -0.097 0.000 0.847 203 A HN 0.331 nan 8.150 nan 0.000 0.445 204 K N -2.108 118.242 120.400 -0.084 0.000 2.438 204 K HA 0.367 4.687 4.320 0.000 0.000 0.206 204 K C 0.663 177.217 176.600 -0.076 0.000 1.081 204 K CA 0.410 56.653 56.287 -0.072 0.000 1.053 204 K CB 0.849 33.313 32.500 -0.060 0.000 0.908 204 K HN 0.676 nan 8.250 nan 0.000 0.556 205 G N 1.926 110.671 108.800 -0.093 0.000 2.176 205 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 205 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 205 G C 0.194 175.044 174.900 -0.084 0.000 1.024 205 G CA 0.420 45.454 45.100 -0.110 0.000 0.755 205 G HN 0.242 nan 8.290 nan 0.000 0.507 206 V N -3.986 115.887 119.914 -0.069 0.000 3.181 206 V HA 0.929 5.049 4.120 0.000 0.000 0.314 206 V C 0.440 176.504 176.094 -0.050 0.000 1.173 206 V CA -0.897 61.371 62.300 -0.053 0.000 1.052 206 V CB 1.878 33.673 31.823 -0.047 0.000 1.123 206 V HN 0.959 nan 8.190 nan 0.000 0.454 207 c N 0.292 118.866 118.600 -0.043 0.000 3.086 207 c HA 0.630 5.200 4.570 0.000 0.000 0.311 207 c C -0.005 174.060 174.090 -0.042 0.000 1.260 207 c CA -0.572 55.733 56.329 -0.040 0.000 1.426 207 c CB 1.966 44.457 42.510 -0.031 0.000 1.826 207 c HN 1.086 nan 8.230 nan 0.000 0.474 208 R N 1.623 122.096 120.500 -0.044 0.000 2.594 208 R HA 0.257 4.597 4.340 0.000 0.000 0.272 208 R C 1.180 177.455 176.300 -0.042 0.000 1.074 208 R CA 0.452 56.524 56.100 -0.047 0.000 1.105 208 R CB 0.793 31.058 30.300 -0.058 0.000 1.008 208 R HN 0.884 nan 8.270 nan 0.000 0.472 209 S N -0.639 115.044 115.700 -0.028 0.000 2.631 209 S HA -0.037 4.433 4.470 0.000 0.000 0.217 209 S C 0.630 175.242 174.600 0.019 0.000 0.958 209 S CA -0.167 58.041 58.200 0.014 0.000 0.920 209 S CB -0.139 63.116 63.200 0.091 0.000 0.776 209 S HN 0.690 nan 8.310 nan 0.000 0.517 210 T N -0.666 113.845 114.554 -0.073 0.000 2.888 210 T HA 0.795 5.145 4.350 0.000 0.000 0.284 210 T C -0.568 174.073 174.700 -0.098 0.000 1.017 210 T CA -0.673 61.317 62.100 -0.184 0.000 1.022 210 T CB 1.762 70.383 68.868 -0.411 0.000 1.013 210 T HN 0.346 nan 8.240 nan 0.000 0.465 211 A N 2.710 125.502 122.820 -0.047 0.000 2.267 211 A HA 0.678 4.998 4.320 0.000 0.000 0.315 211 A C -0.084 177.600 177.584 0.166 0.000 1.297 211 A CA -0.858 51.241 52.037 0.103 0.000 0.865 211 A CB 0.658 19.774 19.000 0.194 0.000 1.165 211 A HN 0.867 nan 8.150 nan 0.000 0.513 212 K N 2.236 122.734 120.400 0.163 0.000 2.270 212 K HA 0.711 5.031 4.320 0.000 0.000 0.255 212 K C -1.542 175.227 176.600 0.282 0.000 0.936 212 K CA -0.566 55.787 56.287 0.110 0.000 0.809 212 K CB 1.341 33.846 32.500 0.008 0.000 1.131 212 K HN 0.846 nan 8.250 nan 0.000 0.427 213 Y N -1.763 118.552 120.300 0.025 0.000 2.810 213 Y HA 0.286 4.836 4.550 0.000 0.000 0.355 213 Y C -1.768 174.161 175.900 0.047 0.000 1.211 213 Y CA -1.461 56.662 58.100 0.039 0.000 1.112 213 Y CB 0.497 38.986 38.460 0.048 0.000 1.383 213 Y HN 0.050 nan 8.280 nan 0.000 0.458 214 V N 3.075 123.105 119.914 0.194 0.000 2.368 214 V HA 0.596 4.716 4.120 0.000 0.000 0.266 214 V C -0.225 175.977 176.094 0.180 0.000 1.045 214 V CA -0.032 62.330 62.300 0.103 0.000 0.899 214 V CB 0.539 32.419 31.823 0.095 0.000 1.006 214 V HN 0.706 nan 8.190 nan 0.000 0.470 215 R N 4.572 125.127 120.500 0.092 0.000 2.628 215 R HA 0.470 4.810 4.340 0.000 0.000 0.288 215 R C 0.089 176.439 176.300 0.083 0.000 0.980 215 R CA -0.474 55.721 56.100 0.159 0.000 0.891 215 R CB 0.691 31.145 30.300 0.258 0.000 1.188 215 R HN 0.588 nan 8.270 nan 0.000 0.450 216 N N 2.993 121.744 118.700 0.086 0.000 2.707 216 N HA -0.284 4.456 4.740 0.000 0.000 0.253 216 N C -1.093 174.435 175.510 0.030 0.000 0.998 216 N CA 1.589 54.670 53.050 0.051 0.000 0.751 216 N CB -1.423 37.089 38.487 0.041 0.000 0.920 216 N HN 0.948 nan 8.380 nan 0.000 0.539 217 N N -2.791 115.929 118.700 0.033 0.000 2.741 217 N HA -0.244 4.496 4.740 0.000 0.000 0.250 217 N C -1.065 174.451 175.510 0.009 0.000 1.115 217 N CA 0.898 53.961 53.050 0.022 0.000 0.724 217 N CB -0.581 37.916 38.487 0.016 0.000 1.090 217 N HN 0.441 nan 8.380 nan 0.000 0.558 218 L N 0.450 121.674 121.223 0.002 0.000 2.476 218 L HA 0.339 4.679 4.340 0.000 0.000 0.269 218 L C -0.422 176.421 176.870 -0.045 0.000 0.965 218 L CA -0.809 54.020 54.840 -0.019 0.000 0.845 218 L CB 1.749 43.791 42.059 -0.028 0.000 1.259 218 L HN 0.139 nan 8.230 nan 0.000 0.403 219 E N 3.049 123.224 120.200 -0.041 0.000 2.081 219 E HA 0.179 4.529 4.350 0.000 0.000 0.270 219 E C -0.568 175.960 176.600 -0.120 0.000 1.180 219 E CA 0.075 56.434 56.400 -0.069 0.000 0.926 219 E CB 0.413 30.096 29.700 -0.027 0.000 1.035 219 E HN 0.632 nan 8.360 nan 0.000 0.418 220 T N 3.222 117.624 114.554 -0.253 0.000 2.907 220 T HA 0.405 4.755 4.350 0.000 0.000 0.284 220 T C -0.430 174.088 174.700 -0.304 0.000 1.004 220 T CA -0.421 61.517 62.100 -0.271 0.000 1.063 220 T CB 1.292 69.963 68.868 -0.330 0.000 0.992 220 T HN 0.427 nan 8.240 nan 0.000 0.483 221 T N 2.899 117.375 114.554 -0.130 0.000 2.893 221 T HA 0.777 5.127 4.350 0.000 0.000 0.291 221 T C -1.004 173.690 174.700 -0.010 0.000 1.028 221 T CA -0.656 61.388 62.100 -0.093 0.000 0.995 221 T CB 1.547 70.387 68.868 -0.047 0.000 1.051 221 T HN 0.924 nan 8.240 nan 0.000 0.470 222 A N 2.092 124.877 122.820 -0.059 0.000 2.449 222 A HA 0.848 5.168 4.320 0.000 0.000 0.302 222 A C -1.660 175.866 177.584 -0.098 0.000 1.048 222 A CA -0.682 51.402 52.037 0.078 0.000 0.708 222 A CB 0.951 20.072 19.000 0.201 0.000 1.274 222 A HN 0.679 nan 8.150 nan 0.000 0.410 223 F N 1.065 121.107 119.950 0.152 0.000 2.467 223 F HA 0.390 4.917 4.527 0.000 0.000 0.336 223 F C 0.548 176.442 175.800 0.158 0.000 1.123 223 F CA -0.327 57.753 58.000 0.133 0.000 0.964 223 F CB 1.589 40.654 39.000 0.108 0.000 1.136 223 F HN 0.760 nan 8.300 nan 0.000 0.447 224 H N 4.562 123.744 119.070 0.186 0.000 3.070 224 H HA 0.162 4.718 4.556 0.000 0.000 0.313 224 H C 0.768 176.131 175.328 0.058 0.000 0.997 224 H CA 0.336 56.454 56.048 0.117 0.000 1.438 224 H CB 0.382 30.182 29.762 0.063 0.000 1.455 224 H HN 0.656 nan 8.280 nan 0.000 0.575 225 R N 3.057 123.299 120.500 -0.429 0.000 4.000 225 R HA -0.248 4.092 4.340 0.000 0.000 0.362 225 R C -0.440 175.688 176.300 -0.287 0.000 1.183 225 R CA 0.909 56.567 56.100 -0.737 0.000 1.011 225 R CB -1.942 27.771 30.300 -0.979 0.000 1.501 225 R HN 0.963 nan 8.270 nan 0.000 0.553 226 D N -0.247 120.178 120.400 0.042 0.000 2.911 226 D HA -0.150 4.490 4.640 0.000 0.000 0.227 226 D C -0.114 176.153 176.300 -0.054 0.000 1.164 226 D CA 1.771 55.820 54.000 0.082 0.000 0.782 226 D CB -0.435 40.428 40.800 0.105 0.000 1.094 226 D HN 0.421 nan 8.370 nan 0.000 0.425 227 D N -0.674 119.713 120.400 -0.022 0.000 2.387 227 D HA 0.252 4.892 4.640 0.000 0.000 0.255 227 D C 0.461 176.832 176.300 0.117 0.000 1.081 227 D CA -0.261 53.732 54.000 -0.012 0.000 0.994 227 D CB 0.780 41.567 40.800 -0.022 0.000 1.127 227 D HN 0.062 nan 8.370 nan 0.000 0.513 228 H N 0.652 119.717 119.070 -0.008 0.000 2.607 228 H HA 0.041 4.597 4.556 0.000 0.000 0.367 228 H C 0.297 175.770 175.328 0.240 0.000 1.181 228 H CA 0.058 56.180 56.048 0.124 0.000 1.402 228 H CB 0.674 30.456 29.762 0.033 0.000 1.474 228 H HN 0.126 nan 8.280 nan 0.000 0.596 229 E N 0.966 120.967 120.200 -0.331 0.000 2.565 229 E HA -0.068 4.282 4.350 0.000 0.000 0.268 229 E C -0.823 175.727 176.600 -0.083 0.000 1.000 229 E CA 0.877 57.150 56.400 -0.211 0.000 0.964 229 E CB 0.216 29.695 29.700 -0.368 0.000 0.955 229 E HN 0.680 nan 8.360 nan 0.000 0.459 230 T N 4.367 118.906 114.554 -0.026 0.000 3.172 230 T HA 0.136 4.486 4.350 0.000 0.000 0.320 230 T C -1.441 173.252 174.700 -0.011 0.000 1.085 230 T CA -0.850 61.249 62.100 -0.001 0.000 1.052 230 T CB 0.967 69.856 68.868 0.035 0.000 1.107 230 T HN 0.256 nan 8.240 nan 0.000 0.458 231 D N 3.297 123.686 120.400 -0.018 0.000 2.401 231 D HA 0.295 4.936 4.640 0.000 0.000 0.254 231 D C -0.043 176.246 176.300 -0.019 0.000 1.192 231 D CA 0.507 54.492 54.000 -0.024 0.000 0.885 231 D CB 0.461 41.246 40.800 -0.026 0.000 1.147 231 D HN 0.384 nan 8.370 nan 0.000 0.478 232 M N 1.352 120.936 119.600 -0.026 0.000 2.383 232 M HA 0.223 4.703 4.480 0.000 0.000 0.325 232 M C 0.354 176.633 176.300 -0.035 0.000 1.092 232 M CA -0.795 54.488 55.300 -0.028 0.000 0.961 232 M CB 2.237 34.814 32.600 -0.037 0.000 1.672 232 M HN 0.096 nan 8.290 nan 0.000 0.438 233 E N 2.444 122.625 120.200 -0.031 0.000 2.414 233 E HA 0.129 4.479 4.350 0.000 0.000 0.263 233 E C -1.136 175.447 176.600 -0.030 0.000 1.000 233 E CA 0.128 56.510 56.400 -0.029 0.000 0.914 233 E CB 0.718 30.406 29.700 -0.020 0.000 0.948 233 E HN 0.470 nan 8.360 nan 0.000 0.444 234 L N 3.030 124.245 121.223 -0.013 0.000 2.290 234 L HA 0.303 4.643 4.340 0.000 0.000 0.284 234 L C 0.489 177.423 176.870 0.106 0.000 1.078 234 L CA 0.069 54.931 54.840 0.038 0.000 0.815 234 L CB 0.739 42.815 42.059 0.029 0.000 1.162 234 L HN 0.462 nan 8.230 nan 0.000 0.435 235 K N 4.552 125.030 120.400 0.130 0.000 2.318 235 K HA 0.729 5.049 4.320 0.000 0.000 0.249 235 K C -2.828 173.953 176.600 0.301 0.000 0.942 235 K CA -1.934 54.465 56.287 0.187 0.000 0.808 235 K CB 0.946 33.470 32.500 0.039 0.000 1.189 235 K HN 0.250 nan 8.250 nan 0.000 0.428 236 P HA 0.134 nan 4.420 nan 0.000 0.265 236 P C -0.212 177.078 177.300 -0.017 0.000 1.187 236 P CA 0.110 63.164 63.100 -0.077 0.000 0.766 236 P CB 0.749 32.416 31.700 -0.054 0.000 0.820 237 A N 3.520 126.228 122.820 -0.187 0.000 2.366 237 A HA 0.114 4.434 4.320 0.000 0.000 0.250 237 A C 0.503 178.018 177.584 -0.114 0.000 1.099 237 A CA -0.200 51.733 52.037 -0.173 0.000 0.794 237 A CB -0.276 18.539 19.000 -0.310 0.000 1.056 237 A HN 0.539 nan 8.150 nan 0.000 0.499 238 N N 0.284 118.926 118.700 -0.097 0.000 2.441 238 N HA 0.304 5.044 4.740 0.000 0.000 0.251 238 N C 0.294 175.747 175.510 -0.094 0.000 1.242 238 N CA 0.815 53.825 53.050 -0.066 0.000 0.898 238 N CB 0.440 38.897 38.487 -0.051 0.000 1.100 238 N HN 0.798 nan 8.380 nan 0.000 0.443 239 A N 0.817 123.595 122.820 -0.072 0.000 2.540 239 A HA 0.469 4.789 4.320 0.000 0.000 0.239 239 A C 0.084 177.623 177.584 -0.076 0.000 1.061 239 A CA 0.029 52.021 52.037 -0.076 0.000 0.758 239 A CB -0.171 18.797 19.000 -0.054 0.000 0.991 239 A HN 0.725 nan 8.150 nan 0.000 0.502 240 A N 2.485 125.253 122.820 -0.086 0.000 2.459 240 A HA 0.671 4.991 4.320 0.000 0.000 0.296 240 A C 0.110 177.650 177.584 -0.073 0.000 1.039 240 A CA 0.028 52.018 52.037 -0.077 0.000 0.698 240 A CB 0.568 19.514 19.000 -0.090 0.000 1.261 240 A HN 1.725 nan 8.150 nan 0.000 0.405 241 T N 0.067 114.586 114.554 -0.059 0.000 2.930 241 T HA 0.458 4.808 4.350 0.000 0.000 0.306 241 T C 0.445 175.110 174.700 -0.059 0.000 1.045 241 T CA -0.020 62.048 62.100 -0.053 0.000 1.134 241 T CB 0.101 68.944 68.868 -0.042 0.000 0.961 241 T HN 0.950 nan 8.240 nan 0.000 0.545 242 R N -0.180 120.285 120.500 -0.059 0.000 3.267 242 R HA -0.131 4.209 4.340 0.000 0.000 0.254 242 R C -0.205 176.050 176.300 -0.076 0.000 0.993 242 R CA 0.829 56.892 56.100 -0.062 0.000 0.670 242 R CB -2.714 27.554 30.300 -0.054 0.000 1.125 242 R HN 1.080 nan 8.270 nan 0.000 0.434 243 T N -3.143 111.358 114.554 -0.088 0.000 2.893 243 T HA 0.559 4.909 4.350 0.000 0.000 0.293 243 T C 0.528 175.157 174.700 -0.117 0.000 1.027 243 T CA -0.424 61.612 62.100 -0.108 0.000 0.988 243 T CB 2.095 70.889 68.868 -0.123 0.000 1.043 243 T HN 0.215 nan 8.240 nan 0.000 0.461 244 S N 2.299 117.926 115.700 -0.122 0.000 2.606 244 S HA 0.386 4.856 4.470 0.000 0.000 0.257 244 S C 0.346 174.834 174.600 -0.187 0.000 1.327 244 S CA -1.025 57.101 58.200 -0.125 0.000 0.984 244 S CB 0.091 63.226 63.200 -0.108 0.000 0.941 244 S HN 0.824 nan 8.310 nan 0.000 0.576 245 R N -0.118 120.252 120.500 -0.216 0.000 2.582 245 R HA 0.601 4.941 4.340 0.000 0.000 0.271 245 R C 0.352 176.272 176.300 -0.632 0.000 1.078 245 R CA -0.020 55.800 56.100 -0.467 0.000 1.127 245 R CB 0.480 30.494 30.300 -0.477 0.000 1.038 245 R HN 0.860 nan 8.270 nan 0.000 0.500 246 G N 1.066 109.260 108.800 -1.009 0.000 2.742 246 G HA2 0.457 4.417 3.960 0.000 0.000 0.296 246 G HA3 0.457 4.417 3.960 0.000 0.000 0.296 246 G C -1.719 172.712 174.900 -0.782 0.000 1.436 246 G CA -0.669 44.009 45.100 -0.702 0.000 0.928 246 G HN 0.427 nan 8.290 nan 0.000 0.520 247 W N 0.342 121.632 121.300 -0.017 0.000 2.882 247 W HA 0.645 5.305 4.660 0.000 0.000 0.345 247 W C -0.004 176.583 176.519 0.112 0.000 1.125 247 W CA -0.701 56.683 57.345 0.065 0.000 1.167 247 W CB 2.327 31.808 29.460 0.036 0.000 1.431 247 W HN 0.957 nan 8.180 nan 0.000 0.543 248 H N -3.023 116.126 119.070 0.132 0.000 2.990 248 H HA 0.396 4.952 4.556 0.000 0.000 0.336 248 H C 0.202 175.541 175.328 0.019 0.000 1.306 248 H CA -0.367 55.695 56.048 0.023 0.000 1.118 248 H CB 1.863 31.602 29.762 -0.038 0.000 1.856 248 H HN 0.199 nan 8.280 nan 0.000 0.538 249 T N -2.020 112.457 114.554 -0.129 0.000 3.015 249 T HA 0.175 4.525 4.350 0.000 0.000 0.250 249 T C 0.706 175.260 174.700 -0.242 0.000 1.057 249 T CA 0.719 62.707 62.100 -0.186 0.000 1.066 249 T CB -0.120 68.678 68.868 -0.117 0.000 0.959 249 T HN 0.852 nan 8.240 nan 0.000 0.488 250 T N 0.172 114.586 114.554 -0.233 0.000 2.883 250 T HA 0.623 4.973 4.350 0.000 0.000 0.296 250 T C -1.162 173.538 174.700 0.000 0.000 1.117 250 T CA -0.392 61.626 62.100 -0.137 0.000 1.006 250 T CB 2.364 71.129 68.868 -0.172 0.000 1.191 250 T HN 0.076 nan 8.240 nan 0.000 0.508 251 D N -0.073 120.370 120.400 0.072 0.000 2.516 251 D HA 0.264 4.904 4.640 0.000 0.000 0.241 251 D C 0.050 176.432 176.300 0.135 0.000 1.246 251 D CA -0.229 53.867 54.000 0.160 0.000 0.808 251 D CB 0.022 40.947 40.800 0.208 0.000 1.147 251 D HN 0.458 nan 8.370 nan 0.000 0.527 252 L N 0.880 122.190 121.223 0.146 0.000 2.325 252 L HA 0.421 4.761 4.340 0.000 0.000 0.278 252 L C 0.124 177.116 176.870 0.204 0.000 1.023 252 L CA -1.050 53.884 54.840 0.157 0.000 0.811 252 L CB 1.645 43.797 42.059 0.153 0.000 1.249 252 L HN -0.291 nan 8.230 nan 0.000 0.431 253 K N 2.192 122.700 120.400 0.180 0.000 2.322 253 K HA 0.144 4.464 4.320 0.000 0.000 0.283 253 K C -0.844 175.904 176.600 0.247 0.000 1.042 253 K CA -0.220 56.190 56.287 0.206 0.000 0.958 253 K CB 0.795 33.385 32.500 0.149 0.000 0.984 253 K HN 0.314 nan 8.250 nan 0.000 0.473 254 Y N 3.690 124.084 120.300 0.156 0.000 2.327 254 Y HA 0.199 4.749 4.550 0.000 0.000 0.336 254 Y C -0.440 175.536 175.900 0.128 0.000 1.035 254 Y CA -0.279 57.892 58.100 0.118 0.000 1.165 254 Y CB 0.692 39.192 38.460 0.067 0.000 1.181 254 Y HN 0.479 nan 8.280 nan 0.000 0.494 255 N N 7.787 126.131 118.700 -0.594 0.000 2.295 255 N HA 0.308 5.048 4.740 0.000 0.000 0.293 255 N C -2.957 172.129 175.510 -0.707 0.000 1.040 255 N CA -1.580 51.195 53.050 -0.458 0.000 0.840 255 N CB 2.016 40.416 38.487 -0.144 0.000 1.468 255 N HN 0.428 nan 8.380 nan 0.000 0.478 256 P HA -0.021 nan 4.420 nan 0.000 0.266 256 P C 0.050 177.251 177.300 -0.166 0.000 1.193 256 P CA 0.022 62.848 63.100 -0.457 0.000 0.770 256 P CB 0.436 31.878 31.700 -0.430 0.000 0.836 257 S N 1.927 117.556 115.700 -0.119 0.000 2.610 257 S HA 0.291 4.761 4.470 0.000 0.000 0.273 257 S C 1.339 175.750 174.600 -0.315 0.000 1.274 257 S CA -0.628 57.503 58.200 -0.115 0.000 1.023 257 S CB 1.081 64.227 63.200 -0.090 0.000 0.962 257 S HN 0.420 nan 8.310 nan 0.000 0.523 258 R N 0.782 120.910 120.500 -0.620 0.000 2.162 258 R HA -0.193 4.147 4.340 0.000 0.000 0.245 258 R C 1.805 177.621 176.300 -0.806 0.000 1.129 258 R CA 2.638 57.954 56.100 -1.308 0.000 0.940 258 R CB -1.403 28.441 30.300 -0.761 0.000 0.875 258 R HN 0.734 nan 8.270 nan 0.000 0.437 259 V N 0.678 120.330 119.914 -0.436 0.000 2.246 259 V HA -0.267 3.853 4.120 0.000 0.000 0.237 259 V C 0.528 176.459 176.094 -0.273 0.000 1.025 259 V CA 1.817 63.938 62.300 -0.299 0.000 0.993 259 V CB -1.103 30.602 31.823 -0.195 0.000 0.642 259 V HN 0.478 nan 8.190 nan 0.000 0.466 260 E N 1.617 121.711 120.200 -0.177 0.000 3.359 260 E HA -0.036 4.314 4.350 0.000 0.000 0.219 260 E C 0.995 177.546 176.600 -0.080 0.000 1.052 260 E CA 0.347 56.692 56.400 -0.091 0.000 0.906 260 E CB -0.570 29.184 29.700 0.090 0.000 0.939 260 E HN 0.636 nan 8.360 nan 0.000 0.543 261 A N 2.867 125.563 122.820 -0.206 0.000 2.218 261 A HA 0.036 4.356 4.320 0.000 0.000 0.209 261 A C 0.695 178.382 177.584 0.171 0.000 1.168 261 A CA 0.047 52.035 52.037 -0.082 0.000 0.804 261 A CB 0.162 19.061 19.000 -0.168 0.000 0.834 261 A HN 0.406 nan 8.150 nan 0.000 0.482 262 F N -0.220 119.789 119.950 0.099 0.000 2.660 262 F HA 0.264 4.791 4.527 -0.000 0.000 0.297 262 F C 0.668 176.592 175.800 0.206 0.000 1.132 262 F CA -0.290 57.778 58.000 0.114 0.000 1.372 262 F CB -0.824 38.219 39.000 0.070 0.000 1.003 262 F HN 0.514 nan 8.300 nan 0.000 0.524 263 H N -0.125 119.090 119.070 0.243 0.000 2.965 263 H HA 0.204 4.760 4.556 0.000 0.000 0.280 263 H C 0.577 176.012 175.328 0.179 0.000 1.463 263 H CA -0.143 56.029 56.048 0.207 0.000 1.531 263 H CB 0.516 30.389 29.762 0.184 0.000 2.058 263 H HN -0.141 nan 8.280 nan 0.000 0.677 264 R N 1.679 122.298 120.500 0.198 0.000 2.237 264 R HA 0.089 4.429 4.340 0.000 0.000 0.195 264 R C -0.523 175.697 176.300 -0.133 0.000 0.956 264 R CA 0.319 56.428 56.100 0.016 0.000 1.029 264 R CB 0.094 30.395 30.300 0.002 0.000 0.972 264 R HN 0.357 nan 8.270 nan 0.000 0.493 265 Y N 0.085 120.435 120.300 0.083 0.000 2.335 265 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 265 Y C 0.957 176.932 175.900 0.125 0.000 0.987 265 Y CA -0.686 57.476 58.100 0.103 0.000 1.140 265 Y CB 1.811 40.361 38.460 0.149 0.000 1.173 265 Y HN -0.053 nan 8.280 nan 0.000 0.486 266 G N 1.653 110.575 108.800 0.204 0.000 2.416 266 G HA2 0.569 4.529 3.960 0.000 0.000 0.329 266 G HA3 0.569 4.529 3.960 0.000 0.000 0.329 266 G C -0.941 174.187 174.900 0.380 0.000 1.173 266 G CA -0.628 44.620 45.100 0.247 0.000 0.929 266 G HN 0.446 nan 8.290 nan 0.000 0.475 267 T N 0.969 115.828 114.554 0.510 0.000 2.855 267 T HA 0.685 5.035 4.350 0.000 0.000 0.281 267 T C -0.260 174.692 174.700 0.420 0.000 1.007 267 T CA -0.261 62.090 62.100 0.417 0.000 1.009 267 T CB 1.707 70.801 68.868 0.377 0.000 0.983 267 T HN 0.482 nan 8.240 nan 0.000 0.455 268 T N 1.897 116.675 114.554 0.372 0.000 2.861 268 T HA 0.614 4.964 4.350 0.000 0.000 0.287 268 T C -0.845 174.067 174.700 0.352 0.000 1.003 268 T CA -0.612 61.749 62.100 0.435 0.000 0.977 268 T CB 1.477 70.550 68.868 0.342 0.000 0.996 268 T HN 0.348 nan 8.240 nan 0.000 0.448 269 V N 3.548 123.688 119.914 0.377 0.000 2.447 269 V HA 0.493 4.613 4.120 0.000 0.000 0.292 269 V C -0.623 175.368 176.094 -0.172 0.000 1.021 269 V CA -0.901 61.448 62.300 0.082 0.000 0.850 269 V CB 1.532 33.419 31.823 0.106 0.000 1.005 269 V HN 0.825 nan 8.190 nan 0.000 0.426 270 N N 3.368 122.023 118.700 -0.076 0.000 2.558 270 N HA 0.259 4.999 4.740 0.000 0.000 0.242 270 N C -0.567 174.903 175.510 -0.067 0.000 0.979 270 N CA -0.218 52.781 53.050 -0.085 0.000 0.931 270 N CB 1.295 39.785 38.487 0.004 0.000 1.122 270 N HN 0.732 nan 8.380 nan 0.000 0.508 271 c N 5.423 123.976 118.600 -0.080 0.000 2.585 271 c HA 0.551 5.121 4.570 0.000 0.000 0.406 271 c C 0.059 174.106 174.090 -0.072 0.000 1.312 271 c CA -0.420 55.864 56.329 -0.074 0.000 1.924 271 c CB -1.526 40.955 42.510 -0.048 0.000 2.578 271 c HN 0.639 nan 8.230 nan 0.000 0.580 272 I N 6.254 126.696 120.570 -0.214 0.000 2.534 272 I HA 0.396 4.566 4.170 0.000 0.000 0.288 272 I C -0.683 175.246 176.117 -0.313 0.000 1.077 272 I CA -0.433 60.684 61.300 -0.305 0.000 1.051 272 I CB 1.941 39.550 38.000 -0.652 0.000 1.234 272 I HN 0.326 nan 8.210 nan 0.000 0.425 273 V N 5.799 125.688 119.914 -0.042 0.000 2.448 273 V HA 0.461 4.581 4.120 0.000 0.000 0.295 273 V C -0.332 175.823 176.094 0.102 0.000 1.025 273 V CA -0.548 61.766 62.300 0.023 0.000 0.859 273 V CB 1.871 33.811 31.823 0.194 0.000 0.988 273 V HN 0.645 nan 8.190 nan 0.000 0.431 274 E N 3.313 123.499 120.200 -0.023 0.000 2.244 274 E HA 0.344 4.694 4.350 0.000 0.000 0.260 274 E C -0.985 175.602 176.600 -0.022 0.000 0.884 274 E CA -0.559 55.835 56.400 -0.010 0.000 0.777 274 E CB 2.581 32.272 29.700 -0.015 0.000 1.197 274 E HN 0.686 nan 8.360 nan 0.000 0.416 275 E N 1.686 121.911 120.200 0.042 0.000 2.344 275 E HA 0.244 4.594 4.350 0.000 0.000 0.270 275 E C -0.278 176.282 176.600 -0.067 0.000 1.021 275 E CA -0.226 56.184 56.400 0.017 0.000 0.887 275 E CB 1.166 30.915 29.700 0.082 0.000 0.997 275 E HN 0.251 nan 8.360 nan 0.000 0.429 276 V N -0.059 119.795 119.914 -0.099 0.000 2.971 276 V HA 0.367 4.487 4.120 0.000 0.000 0.309 276 V C -0.568 175.407 176.094 -0.198 0.000 1.130 276 V CA -1.299 60.908 62.300 -0.154 0.000 0.964 276 V CB 2.128 33.836 31.823 -0.191 0.000 1.029 276 V HN 0.438 nan 8.190 nan 0.000 0.427 277 D N 2.044 122.313 120.400 -0.219 0.000 2.362 277 D HA 0.623 5.263 4.640 0.000 0.000 0.242 277 D C 0.140 176.190 176.300 -0.417 0.000 1.132 277 D CA 0.605 54.430 54.000 -0.292 0.000 0.907 277 D CB 1.915 42.575 40.800 -0.235 0.000 1.195 277 D HN 1.161 nan 8.370 nan 0.000 0.429 278 A N 1.936 124.346 122.820 -0.682 0.000 2.401 278 A HA 0.743 5.063 4.320 0.000 0.000 0.310 278 A C -0.387 176.756 177.584 -0.734 0.000 1.075 278 A CA -0.726 50.799 52.037 -0.853 0.000 0.746 278 A CB 1.563 19.652 19.000 -1.519 0.000 1.277 278 A HN 0.509 nan 8.150 nan 0.000 0.425 279 R N 0.055 120.351 120.500 -0.340 0.000 2.795 279 R HA 0.824 5.164 4.340 0.000 0.000 0.275 279 R C -1.017 175.359 176.300 0.127 0.000 0.981 279 R CA -0.572 55.464 56.100 -0.105 0.000 0.917 279 R CB 2.367 32.605 30.300 -0.103 0.000 1.202 279 R HN 0.700 nan 8.270 nan 0.000 0.469 280 S N 0.737 116.607 115.700 0.282 0.000 2.543 280 S HA 0.469 4.939 4.470 0.000 0.000 0.273 280 S C -1.235 173.626 174.600 0.435 0.000 1.152 280 S CA -0.760 57.684 58.200 0.406 0.000 0.910 280 S CB 1.428 64.979 63.200 0.584 0.000 1.105 280 S HN 0.451 nan 8.310 nan 0.000 0.465 281 V N 3.096 123.124 119.914 0.189 0.000 2.850 281 V HA 0.693 4.813 4.120 0.000 0.000 0.315 281 V C -0.109 175.638 176.094 -0.578 0.000 1.064 281 V CA -1.019 61.263 62.300 -0.030 0.000 0.979 281 V CB 0.940 32.781 31.823 0.030 0.000 1.039 281 V HN 0.947 nan 8.190 nan 0.000 0.452 282 Y N 4.297 123.950 120.300 -1.078 0.000 2.993 282 Y HA 0.154 4.704 4.550 0.000 0.000 0.340 282 Y C -1.579 174.057 175.900 -0.441 0.000 1.273 282 Y CA -0.374 57.092 58.100 -1.056 0.000 1.545 282 Y CB 0.675 38.869 38.460 -0.443 0.000 1.275 282 Y HN 0.626 nan 8.280 nan 0.000 0.617 283 P HA 0.008 nan 4.420 nan 0.000 0.245 283 P C -1.160 175.924 177.300 -0.359 0.000 1.212 283 P CA 0.738 63.206 63.100 -1.055 0.000 0.774 283 P CB -0.232 31.087 31.700 -0.635 0.000 0.999 284 Y N -0.914 119.368 120.300 -0.029 0.000 3.568 284 Y HA -0.209 4.341 4.550 0.000 0.000 0.220 284 Y C 0.617 176.616 175.900 0.165 0.000 1.319 284 Y CA 0.350 58.527 58.100 0.128 0.000 1.629 284 Y CB -2.972 35.609 38.460 0.202 0.000 1.515 284 Y HN 0.202 nan 8.280 nan 0.000 0.613 285 D N -0.287 120.234 120.400 0.201 0.000 2.369 285 D HA 0.120 4.760 4.640 0.000 0.000 0.211 285 D C 0.545 177.059 176.300 0.358 0.000 1.077 285 D CA 0.858 55.004 54.000 0.243 0.000 0.842 285 D CB 0.251 41.070 40.800 0.031 0.000 0.947 285 D HN 0.706 nan 8.370 nan 0.000 0.509 286 E N -0.673 119.743 120.200 0.359 0.000 2.449 286 E HA 0.550 4.900 4.350 0.000 0.000 0.278 286 E C -1.085 175.796 176.600 0.467 0.000 1.059 286 E CA -1.215 55.419 56.400 0.390 0.000 0.854 286 E CB 1.392 31.286 29.700 0.323 0.000 1.465 286 E HN 0.072 nan 8.360 nan 0.000 0.462 287 F N -1.440 118.555 119.950 0.076 0.000 2.741 287 F HA 0.649 5.176 4.527 0.000 0.000 0.311 287 F C -1.371 174.250 175.800 -0.298 0.000 1.149 287 F CA -1.186 56.788 58.000 -0.044 0.000 0.930 287 F CB 1.066 40.099 39.000 0.055 0.000 1.312 287 F HN 0.444 nan 8.300 nan 0.000 0.450 288 V N 0.557 120.281 119.914 -0.317 0.000 2.881 288 V HA 0.817 4.937 4.120 0.000 0.000 0.316 288 V C -0.951 174.936 176.094 -0.345 0.000 1.070 288 V CA -1.034 60.919 62.300 -0.578 0.000 0.976 288 V CB 1.734 33.101 31.823 -0.760 0.000 1.038 288 V HN 0.944 nan 8.190 nan 0.000 0.446 289 L N 2.196 123.190 121.223 -0.382 0.000 2.322 289 L HA 0.687 5.027 4.340 0.000 0.000 0.269 289 L C 1.676 178.363 176.870 -0.305 0.000 1.012 289 L CA -0.423 54.219 54.840 -0.331 0.000 0.815 289 L CB 1.730 43.572 42.059 -0.362 0.000 1.295 289 L HN 0.836 nan 8.230 nan 0.000 0.438 290 A N -0.121 122.538 122.820 -0.269 0.000 2.186 290 A HA -0.144 4.176 4.320 0.000 0.000 0.219 290 A C 1.868 179.326 177.584 -0.210 0.000 1.159 290 A CA 1.892 53.796 52.037 -0.222 0.000 0.680 290 A CB -0.964 17.920 19.000 -0.193 0.000 0.787 290 A HN 0.902 nan 8.150 nan 0.000 0.467 291 T N -4.781 109.625 114.554 -0.247 0.000 3.113 291 T HA 0.372 4.722 4.350 0.000 0.000 0.256 291 T C 1.443 176.022 174.700 -0.202 0.000 1.131 291 T CA 1.095 63.057 62.100 -0.230 0.000 1.074 291 T CB 0.010 68.698 68.868 -0.301 0.000 0.944 291 T HN 1.618 nan 8.240 nan 0.000 0.516 292 G N 0.960 109.629 108.800 -0.219 0.000 2.176 292 G HA2 -0.179 3.781 3.960 0.000 0.000 0.232 292 G HA3 -0.179 3.781 3.960 0.000 0.000 0.232 292 G C -0.362 174.438 174.900 -0.167 0.000 0.986 292 G CA -0.087 44.903 45.100 -0.183 0.000 0.643 292 G HN 0.574 nan 8.290 nan 0.000 0.522 293 D N 0.270 120.544 120.400 -0.209 0.000 2.308 293 D HA 0.490 5.130 4.640 0.000 0.000 0.251 293 D C 0.361 176.524 176.300 -0.228 0.000 1.127 293 D CA -0.013 53.924 54.000 -0.104 0.000 0.876 293 D CB 0.673 41.420 40.800 -0.088 0.000 1.176 293 D HN 0.065 nan 8.370 nan 0.000 0.446 294 F N 0.883 120.710 119.950 -0.206 0.000 2.410 294 F HA 0.194 4.721 4.527 0.000 0.000 0.334 294 F C 0.670 176.137 175.800 -0.555 0.000 1.134 294 F CA -0.211 57.507 58.000 -0.471 0.000 1.227 294 F CB 1.003 39.589 39.000 -0.690 0.000 1.194 294 F HN -0.033 nan 8.300 nan 0.000 0.571 295 V N 3.680 123.226 119.914 -0.613 0.000 2.447 295 V HA 0.145 4.265 4.120 0.000 0.000 0.292 295 V C -0.974 174.908 176.094 -0.355 0.000 1.021 295 V CA -0.947 61.030 62.300 -0.537 0.000 0.850 295 V CB 1.049 32.225 31.823 -1.079 0.000 1.005 295 V HN 0.570 nan 8.190 nan 0.000 0.426 296 Y N 5.283 125.759 120.300 0.294 0.000 2.930 296 Y HA 0.537 5.087 4.550 0.000 0.000 0.386 296 Y C 0.371 176.424 175.900 0.256 0.000 1.185 296 Y CA 0.041 58.253 58.100 0.187 0.000 1.922 296 Y CB 0.172 38.595 38.460 -0.062 0.000 2.006 296 Y HN 0.585 nan 8.280 nan 0.000 0.431 297 M N 0.073 119.911 119.600 0.396 0.000 2.470 297 M HA 0.382 4.862 4.480 0.000 0.000 0.285 297 M C -0.795 175.811 176.300 0.510 0.000 1.213 297 M CA -0.679 54.830 55.300 0.348 0.000 0.901 297 M CB 1.894 34.671 32.600 0.295 0.000 1.718 297 M HN 0.031 nan 8.290 nan 0.000 0.469 298 S N 3.488 119.447 115.700 0.432 0.000 2.537 298 S HA 0.214 4.684 4.470 0.000 0.000 0.286 298 S C -1.919 172.875 174.600 0.323 0.000 1.299 298 S CA -0.862 57.591 58.200 0.421 0.000 1.067 298 S CB 0.636 64.089 63.200 0.422 0.000 0.864 298 S HN 0.584 nan 8.310 nan 0.000 0.494 299 P HA -0.081 nan 4.420 nan 0.000 0.218 299 P C 0.234 177.384 177.300 -0.251 0.000 1.146 299 P CA 1.376 64.102 63.100 -0.624 0.000 0.813 299 P CB -0.003 30.891 31.700 -1.343 0.000 0.778 300 F N -4.118 115.932 119.950 0.167 0.000 2.660 300 F HA 0.177 4.704 4.527 0.000 0.000 0.302 300 F C 1.060 177.114 175.800 0.424 0.000 1.103 300 F CA -0.774 57.331 58.000 0.174 0.000 1.340 300 F CB -0.584 38.402 39.000 -0.023 0.000 1.048 300 F HN -0.141 nan 8.300 nan 0.000 0.551 301 Y N 1.144 121.660 120.300 0.361 0.000 2.379 301 Y HA 0.537 5.087 4.550 0.000 0.000 0.337 301 Y C 0.651 176.520 175.900 -0.053 0.000 1.238 301 Y CA 0.493 58.657 58.100 0.108 0.000 1.405 301 Y CB 0.547 38.960 38.460 -0.078 0.000 1.310 301 Y HN 0.160 nan 8.280 nan 0.000 0.569 302 G N 2.588 110.859 108.800 -0.881 0.000 2.404 302 G HA2 -0.049 3.911 3.960 0.000 0.000 0.253 302 G HA3 -0.049 3.911 3.960 0.000 0.000 0.253 302 G C -1.042 173.332 174.900 -0.877 0.000 1.253 302 G CA -0.289 44.280 45.100 -0.885 0.000 0.917 302 G HN 0.560 nan 8.290 nan 0.000 0.480 303 Y N 0.436 120.440 120.300 -0.493 0.000 2.526 303 Y HA 0.334 4.884 4.550 0.000 0.000 0.265 303 Y C 1.809 177.468 175.900 -0.402 0.000 1.092 303 Y CA -0.519 57.324 58.100 -0.427 0.000 1.277 303 Y CB 0.581 38.822 38.460 -0.366 0.000 1.228 303 Y HN 0.071 nan 8.280 nan 0.000 0.507 304 R N 2.097 122.316 120.500 -0.468 0.000 2.582 304 R HA 0.128 4.468 4.340 0.000 0.000 0.271 304 R C 0.165 176.342 176.300 -0.205 0.000 1.078 304 R CA -0.070 55.790 56.100 -0.400 0.000 1.127 304 R CB 0.527 30.444 30.300 -0.638 0.000 1.038 304 R HN 0.300 nan 8.270 nan 0.000 0.500 305 E N -0.040 120.132 120.200 -0.047 0.000 3.374 305 E HA -0.280 4.070 4.350 0.000 0.000 0.319 305 E C 0.771 177.394 176.600 0.039 0.000 1.492 305 E CA 1.113 57.543 56.400 0.050 0.000 1.899 305 E CB -1.111 28.695 29.700 0.177 0.000 1.894 305 E HN 0.854 nan 8.360 nan 0.000 0.484 306 G N -0.033 108.811 108.800 0.073 0.000 3.371 306 G HA2 0.164 4.124 3.960 0.000 0.000 0.248 306 G HA3 0.164 4.124 3.960 0.000 0.000 0.248 306 G C 0.993 175.932 174.900 0.065 0.000 1.161 306 G CA 0.723 45.857 45.100 0.056 0.000 0.796 306 G HN 0.390 nan 8.290 nan 0.000 0.539 307 S N -0.318 115.428 115.700 0.078 0.000 2.428 307 S HA -0.153 4.317 4.470 0.000 0.000 0.230 307 S C 1.874 176.410 174.600 -0.107 0.000 1.014 307 S CA 0.949 59.203 58.200 0.089 0.000 0.957 307 S CB -0.462 62.865 63.200 0.211 0.000 0.784 307 S HN 0.394 nan 8.310 nan 0.000 0.499 308 H N 2.030 120.935 119.070 -0.275 0.000 2.568 308 H HA 0.132 4.688 4.556 0.000 0.000 0.281 308 H C 1.079 176.315 175.328 -0.153 0.000 1.028 308 H CA 1.381 57.198 56.048 -0.384 0.000 1.199 308 H CB -0.571 29.105 29.762 -0.143 0.000 1.352 308 H HN 0.524 nan 8.280 nan 0.000 0.605 309 T N -0.853 113.657 114.554 -0.073 0.000 3.022 309 T HA 0.061 4.411 4.350 0.000 0.000 0.250 309 T C 0.625 175.366 174.700 0.069 0.000 1.060 309 T CA -0.320 61.769 62.100 -0.018 0.000 1.013 309 T CB 0.553 69.433 68.868 0.020 0.000 0.982 309 T HN 0.223 nan 8.240 nan 0.000 0.508 310 E N 2.023 122.299 120.200 0.127 0.000 2.428 310 E HA 0.054 4.404 4.350 0.000 0.000 0.257 310 E C -0.051 176.767 176.600 0.363 0.000 1.197 310 E CA 0.088 56.658 56.400 0.284 0.000 0.974 310 E CB 0.288 30.217 29.700 0.381 0.000 0.976 310 E HN 0.443 nan 8.360 nan 0.000 0.463 311 H N -0.544 118.654 119.070 0.214 0.000 2.652 311 H HA 0.211 4.767 4.556 0.000 0.000 0.349 311 H C -0.722 174.587 175.328 -0.031 0.000 1.099 311 H CA 0.442 56.549 56.048 0.098 0.000 1.417 311 H CB 0.773 30.582 29.762 0.078 0.000 1.457 311 H HN 0.218 nan 8.280 nan 0.000 0.568 312 T N 2.917 116.885 114.554 -0.977 0.000 2.952 312 T HA 0.288 4.638 4.350 0.000 0.000 0.305 312 T C 0.210 174.373 174.700 -0.895 0.000 1.064 312 T CA -0.502 61.030 62.100 -0.946 0.000 1.008 312 T CB 1.162 69.538 68.868 -0.819 0.000 1.078 312 T HN 0.667 nan 8.240 nan 0.000 0.459 313 S N 2.473 117.778 115.700 -0.659 0.000 2.517 313 S HA 0.268 4.738 4.470 0.000 0.000 0.214 313 S C -0.205 174.077 174.600 -0.530 0.000 0.991 313 S CA 0.002 57.894 58.200 -0.513 0.000 0.906 313 S CB -0.026 62.888 63.200 -0.476 0.000 0.789 313 S HN 0.696 nan 8.310 nan 0.000 0.513 314 Y N 1.307 121.537 120.300 -0.116 0.000 2.519 314 Y HA 0.702 5.252 4.550 0.000 0.000 0.324 314 Y C 0.612 176.485 175.900 -0.046 0.000 1.214 314 Y CA -1.423 56.646 58.100 -0.052 0.000 1.260 314 Y CB 0.328 38.779 38.460 -0.014 0.000 1.311 314 Y HN 0.010 nan 8.280 nan 0.000 0.505 315 A N 0.535 123.457 122.820 0.170 0.000 2.332 315 A HA 0.509 4.829 4.320 0.000 0.000 0.258 315 A C 1.347 179.018 177.584 0.145 0.000 1.087 315 A CA 0.062 52.168 52.037 0.115 0.000 0.802 315 A CB -0.156 18.902 19.000 0.097 0.000 1.042 315 A HN 1.029 nan 8.150 nan 0.000 0.489 316 A N 0.595 123.499 122.820 0.140 0.000 1.978 316 A HA -0.172 4.148 4.320 0.000 0.000 0.220 316 A C 1.563 179.266 177.584 0.198 0.000 1.170 316 A CA 2.125 54.281 52.037 0.198 0.000 0.636 316 A CB -0.483 18.625 19.000 0.181 0.000 0.810 316 A HN 0.921 nan 8.150 nan 0.000 0.448 317 D N -1.056 119.424 120.400 0.133 0.000 2.340 317 D HA -0.050 4.590 4.640 0.000 0.000 0.220 317 D C 1.662 178.014 176.300 0.086 0.000 1.039 317 D CA 0.253 54.310 54.000 0.094 0.000 0.866 317 D CB -0.400 40.440 40.800 0.066 0.000 0.913 317 D HN 0.474 nan 8.370 nan 0.000 0.523 318 R N -0.957 119.616 120.500 0.122 0.000 2.193 318 R HA 0.095 4.435 4.340 0.000 0.000 0.213 318 R C 0.176 176.548 176.300 0.120 0.000 1.055 318 R CA 0.197 56.355 56.100 0.098 0.000 0.995 318 R CB 0.062 30.415 30.300 0.088 0.000 0.893 318 R HN 0.148 nan 8.270 nan 0.000 0.459 319 F N 1.232 121.196 119.950 0.024 0.000 2.443 319 F HA 0.397 4.924 4.527 0.000 0.000 0.335 319 F C -0.544 175.234 175.800 -0.036 0.000 1.104 319 F CA -0.807 57.204 58.000 0.018 0.000 1.013 319 F CB 1.109 40.163 39.000 0.090 0.000 1.136 319 F HN -0.427 nan 8.300 nan 0.000 0.470 320 K N 3.647 123.444 120.400 -1.006 0.000 2.375 320 K HA 0.398 4.718 4.320 0.000 0.000 0.249 320 K C -1.570 174.332 176.600 -1.162 0.000 0.942 320 K CA -0.755 54.999 56.287 -0.887 0.000 0.806 320 K CB 1.959 33.880 32.500 -0.964 0.000 1.227 320 K HN 0.683 nan 8.250 nan 0.000 0.430 321 Q N 1.986 121.424 119.800 -0.603 0.000 2.290 321 Q HA 0.461 4.801 4.340 0.000 0.000 0.269 321 Q C -1.494 174.396 176.000 -0.183 0.000 1.016 321 Q CA -0.754 54.796 55.803 -0.423 0.000 0.754 321 Q CB 1.681 30.254 28.738 -0.275 0.000 1.247 321 Q HN 0.360 nan 8.270 nan 0.000 0.451 322 V N 4.675 124.507 119.914 -0.136 0.000 2.333 322 V HA 0.220 4.340 4.120 0.000 0.000 0.274 322 V C -0.197 175.917 176.094 0.032 0.000 1.028 322 V CA -0.600 61.715 62.300 0.024 0.000 0.851 322 V CB 1.216 33.151 31.823 0.188 0.000 1.000 322 V HN 0.783 nan 8.190 nan 0.000 0.456 323 D N 3.481 123.899 120.400 0.030 0.000 2.344 323 D HA 0.354 4.994 4.640 0.000 0.000 0.244 323 D C 1.199 177.534 176.300 0.059 0.000 1.134 323 D CA 0.954 54.970 54.000 0.027 0.000 0.930 323 D CB 1.313 42.115 40.800 0.004 0.000 1.175 323 D HN 0.883 nan 8.370 nan 0.000 0.437 324 G N 1.098 109.908 108.800 0.017 0.000 2.323 324 G HA2 -0.289 3.671 3.960 0.000 0.000 0.292 324 G HA3 -0.289 3.671 3.960 0.000 0.000 0.292 324 G C -0.059 174.793 174.900 -0.079 0.000 1.040 324 G CA -0.003 45.075 45.100 -0.037 0.000 0.942 324 G HN 0.381 nan 8.290 nan 0.000 0.506 325 F N 0.826 120.629 119.950 -0.246 0.000 2.410 325 F HA 0.665 5.192 4.527 0.000 0.000 0.348 325 F C 0.026 175.611 175.800 -0.358 0.000 1.106 325 F CA -1.120 56.778 58.000 -0.171 0.000 1.163 325 F CB 0.654 39.605 39.000 -0.082 0.000 1.129 325 F HN 0.139 nan 8.300 nan 0.000 0.516 326 Y N 5.214 125.074 120.300 -0.733 0.000 2.338 326 Y HA 0.590 5.140 4.550 0.000 0.000 0.328 326 Y C 0.315 175.753 175.900 -0.770 0.000 0.965 326 Y CA -1.075 56.719 58.100 -0.511 0.000 1.208 326 Y CB 1.044 39.336 38.460 -0.280 0.000 1.132 326 Y HN 0.805 nan 8.280 nan 0.000 0.469 327 A N 3.860 126.504 122.820 -0.293 0.000 2.386 327 A HA 0.548 4.868 4.320 0.000 0.000 0.248 327 A C -0.031 177.518 177.584 -0.059 0.000 1.082 327 A CA -0.512 51.477 52.037 -0.081 0.000 0.789 327 A CB 0.425 19.571 19.000 0.244 0.000 1.025 327 A HN 0.843 nan 8.150 nan 0.000 0.490 328 R N 1.618 122.092 120.500 -0.044 0.000 2.358 328 R HA 0.126 4.466 4.340 0.000 0.000 0.309 328 R C -0.989 175.266 176.300 -0.074 0.000 1.026 328 R CA -0.533 55.530 56.100 -0.062 0.000 0.909 328 R CB 0.574 30.818 30.300 -0.094 0.000 1.153 328 R HN 0.947 nan 8.270 nan 0.000 0.515 329 D N 4.392 124.763 120.400 -0.048 0.000 2.581 329 D HA -0.111 4.529 4.640 0.000 0.000 0.238 329 D C 1.050 177.246 176.300 -0.174 0.000 1.145 329 D CA 0.492 54.450 54.000 -0.070 0.000 0.866 329 D CB 0.971 41.776 40.800 0.010 0.000 1.151 329 D HN 0.626 nan 8.370 nan 0.000 0.500 330 L N 3.231 124.198 121.223 -0.425 0.000 2.201 330 L HA -0.154 4.186 4.340 0.000 0.000 0.212 330 L C 2.384 179.075 176.870 -0.298 0.000 1.105 330 L CA 0.874 55.317 54.840 -0.661 0.000 0.775 330 L CB -0.078 40.934 42.059 -1.746 0.000 0.913 330 L HN 0.448 nan 8.230 nan 0.000 0.440 331 T N -1.926 112.647 114.554 0.032 0.000 2.837 331 T HA -0.115 4.235 4.350 0.000 0.000 0.248 331 T C 1.868 176.629 174.700 0.102 0.000 1.033 331 T CA 1.630 63.872 62.100 0.237 0.000 1.150 331 T CB -0.169 68.937 68.868 0.397 0.000 0.865 331 T HN 0.446 nan 8.240 nan 0.000 0.425 332 T N 0.224 114.823 114.554 0.076 0.000 2.995 332 T HA 0.047 4.397 4.350 0.000 0.000 0.269 332 T C 0.928 175.635 174.700 0.012 0.000 1.091 332 T CA 0.808 62.934 62.100 0.045 0.000 1.128 332 T CB -0.440 68.455 68.868 0.045 0.000 0.891 332 T HN 0.522 nan 8.240 nan 0.000 0.492 333 K N 0.090 120.482 120.400 -0.014 0.000 3.341 333 K HA -0.124 4.196 4.320 0.000 0.000 0.305 333 K C 0.192 176.774 176.600 -0.032 0.000 1.270 333 K CA 0.287 56.552 56.287 -0.037 0.000 0.897 333 K CB -2.424 30.059 32.500 -0.029 0.000 1.264 333 K HN 0.685 nan 8.250 nan 0.000 0.468 334 A N 1.386 124.195 122.820 -0.017 0.000 2.309 334 A HA 0.598 4.918 4.320 0.000 0.000 0.298 334 A C 0.008 177.581 177.584 -0.017 0.000 1.165 334 A CA -0.470 51.560 52.037 -0.013 0.000 0.821 334 A CB 0.562 19.565 19.000 0.005 0.000 1.102 334 A HN 0.219 nan 8.150 nan 0.000 0.500 335 R N 1.151 121.635 120.500 -0.026 0.000 2.349 335 R HA 0.567 4.907 4.340 0.000 0.000 0.299 335 R C 0.367 176.676 176.300 0.015 0.000 1.027 335 R CA 0.213 56.296 56.100 -0.028 0.000 0.958 335 R CB 1.227 31.485 30.300 -0.070 0.000 1.047 335 R HN 0.846 nan 8.270 nan 0.000 0.468 336 A N 1.119 123.973 122.820 0.056 0.000 2.425 336 A HA 0.234 4.554 4.320 0.000 0.000 0.249 336 A C 0.987 178.704 177.584 0.222 0.000 1.084 336 A CA 0.131 52.236 52.037 0.114 0.000 0.781 336 A CB 0.173 19.243 19.000 0.117 0.000 1.019 336 A HN 0.926 nan 8.150 nan 0.000 0.490 337 T N -0.437 114.237 114.554 0.200 0.000 3.046 337 T HA 0.369 4.719 4.350 0.000 0.000 0.242 337 T C 0.963 175.884 174.700 0.369 0.000 1.018 337 T CA 0.661 62.911 62.100 0.250 0.000 1.131 337 T CB -0.463 68.468 68.868 0.105 0.000 0.904 337 T HN 1.331 nan 8.240 nan 0.000 0.459 338 A N 5.040 127.973 122.820 0.187 0.000 2.476 338 A HA 0.500 4.820 4.320 0.000 0.000 0.275 338 A C -2.018 175.553 177.584 -0.022 0.000 1.133 338 A CA -1.267 50.831 52.037 0.102 0.000 0.797 338 A CB -0.419 18.624 19.000 0.072 0.000 1.081 338 A HN 0.460 nan 8.150 nan 0.000 0.510 339 P HA 0.316 nan 4.420 nan 0.000 0.274 339 P C -0.115 177.077 177.300 -0.178 0.000 1.231 339 P CA 0.105 62.880 63.100 -0.543 0.000 0.790 339 P CB 1.233 32.598 31.700 -0.559 0.000 0.951 340 T N -2.203 112.292 114.554 -0.099 0.000 2.906 340 T HA 0.403 4.753 4.350 0.000 0.000 0.295 340 T C -0.350 174.384 174.700 0.056 0.000 1.075 340 T CA -0.648 61.473 62.100 0.035 0.000 1.005 340 T CB 0.741 69.668 68.868 0.098 0.000 1.136 340 T HN 0.179 nan 8.240 nan 0.000 0.498 341 T N 2.425 117.024 114.554 0.075 0.000 2.729 341 T HA 0.458 4.808 4.350 0.000 0.000 0.296 341 T C -0.035 174.640 174.700 -0.041 0.000 0.928 341 T CA -0.330 61.793 62.100 0.039 0.000 1.045 341 T CB 0.149 69.072 68.868 0.092 0.000 0.902 341 T HN 0.579 nan 8.240 nan 0.000 0.500 342 R N 3.722 124.118 120.500 -0.174 0.000 2.229 342 R HA 0.352 4.692 4.340 0.000 0.000 0.332 342 R C -0.546 175.484 176.300 -0.449 0.000 0.989 342 R CA -0.552 55.311 56.100 -0.396 0.000 0.842 342 R CB 0.138 29.918 30.300 -0.867 0.000 1.119 342 R HN 0.370 nan 8.270 nan 0.000 0.456 343 N N 3.577 121.922 118.700 -0.591 0.000 2.499 343 N HA 0.364 5.104 4.740 0.000 0.000 0.281 343 N C -1.245 173.865 175.510 -0.667 0.000 1.098 343 N CA -0.183 52.375 53.050 -0.820 0.000 0.979 343 N CB 1.035 38.680 38.487 -1.402 0.000 1.121 343 N HN 0.342 nan 8.380 nan 0.000 0.466 344 L N 2.087 122.963 121.223 -0.578 0.000 2.439 344 L HA 0.499 4.839 4.340 0.000 0.000 0.270 344 L C -1.068 175.756 176.870 -0.077 0.000 0.972 344 L CA -0.489 54.257 54.840 -0.156 0.000 0.836 344 L CB 1.767 43.785 42.059 -0.068 0.000 1.255 344 L HN 0.342 nan 8.230 nan 0.000 0.404 345 L N 2.226 123.624 121.223 0.292 0.000 2.356 345 L HA 0.718 5.058 4.340 0.000 0.000 0.277 345 L C -0.398 176.546 176.870 0.124 0.000 0.996 345 L CA 0.212 55.211 54.840 0.265 0.000 0.822 345 L CB 2.162 44.487 42.059 0.444 0.000 1.256 345 L HN 0.543 nan 8.230 nan 0.000 0.413 346 T N 3.316 117.877 114.554 0.010 0.000 2.762 346 T HA 0.403 4.753 4.350 0.000 0.000 0.303 346 T C 0.225 174.797 174.700 -0.214 0.000 0.977 346 T CA -0.176 61.900 62.100 -0.041 0.000 0.961 346 T CB 0.352 69.232 68.868 0.020 0.000 0.944 346 T HN 0.794 nan 8.240 nan 0.000 0.481 347 T N 1.488 115.811 114.554 -0.384 0.000 2.881 347 T HA 0.364 4.714 4.350 0.000 0.000 0.278 347 T C -1.757 172.755 174.700 -0.313 0.000 0.982 347 T CA -2.139 59.676 62.100 -0.476 0.000 0.989 347 T CB 0.931 69.339 68.868 -0.765 0.000 1.058 347 T HN 0.045 nan 8.240 nan 0.000 0.529 348 P HA -0.058 nan 4.420 nan 0.000 0.219 348 P C 1.025 178.245 177.300 -0.134 0.000 1.144 348 P CA 1.086 64.142 63.100 -0.074 0.000 0.806 348 P CB 0.125 31.822 31.700 -0.004 0.000 0.771 349 K N -2.336 117.876 120.400 -0.314 0.000 2.425 349 K HA 0.242 4.562 4.320 0.000 0.000 0.201 349 K C 0.478 177.017 176.600 -0.102 0.000 1.128 349 K CA 0.345 56.502 56.287 -0.216 0.000 1.000 349 K CB 0.758 33.188 32.500 -0.117 0.000 0.961 349 K HN 0.262 nan 8.250 nan 0.000 0.555 350 F N -1.745 118.182 119.950 -0.038 0.000 2.741 350 F HA 0.422 4.949 4.527 0.000 0.000 0.311 350 F C -0.906 174.944 175.800 0.083 0.000 1.149 350 F CA -1.185 56.836 58.000 0.036 0.000 0.930 350 F CB 0.756 39.733 39.000 -0.038 0.000 1.312 350 F HN -0.397 nan 8.300 nan 0.000 0.450 351 T N 2.133 116.948 114.554 0.436 0.000 2.771 351 T HA 0.646 4.996 4.350 0.000 0.000 0.281 351 T C -0.782 174.254 174.700 0.559 0.000 0.982 351 T CA -0.570 61.774 62.100 0.406 0.000 0.978 351 T CB 1.317 70.389 68.868 0.340 0.000 0.930 351 T HN 0.590 nan 8.240 nan 0.000 0.447 352 V N 2.349 122.584 119.914 0.535 0.000 2.417 352 V HA 0.840 4.960 4.120 0.000 0.000 0.291 352 V C 0.186 176.692 176.094 0.686 0.000 1.024 352 V CA -1.094 61.525 62.300 0.531 0.000 0.861 352 V CB 1.180 33.284 31.823 0.469 0.000 0.985 352 V HN 1.035 nan 8.190 nan 0.000 0.436 353 A N 4.855 128.054 122.820 0.630 0.000 2.340 353 A HA 1.027 5.347 4.320 0.000 0.000 0.331 353 A C -0.963 177.041 177.584 0.699 0.000 1.140 353 A CA -0.629 51.741 52.037 0.555 0.000 0.801 353 A CB 1.322 20.541 19.000 0.365 0.000 1.234 353 A HN 1.334 nan 8.150 nan 0.000 0.469 354 W N 0.084 121.462 121.300 0.130 0.000 2.959 354 W HA 0.627 5.287 4.660 0.000 0.000 0.358 354 W C -1.853 174.704 176.519 0.063 0.000 1.228 354 W CA -0.838 56.582 57.345 0.126 0.000 1.183 354 W CB 0.704 30.297 29.460 0.221 0.000 1.467 354 W HN 0.441 nan 8.180 nan 0.000 0.578 355 D N 1.511 121.998 120.400 0.145 0.000 2.280 355 D HA 0.107 4.747 4.640 0.000 0.000 0.243 355 D C -0.958 175.357 176.300 0.025 0.000 1.129 355 D CA 0.140 54.157 54.000 0.029 0.000 0.848 355 D CB 0.694 41.550 40.800 0.093 0.000 1.107 355 D HN 0.512 nan 8.370 nan 0.000 0.471 356 W N 4.409 125.583 121.300 -0.210 0.000 2.253 356 W HA 0.362 5.022 4.660 0.000 0.000 0.322 356 W C -0.595 175.921 176.519 -0.005 0.000 1.342 356 W CA -0.343 56.923 57.345 -0.131 0.000 1.218 356 W CB 0.520 29.887 29.460 -0.155 0.000 1.205 356 W HN 0.193 nan 8.180 nan 0.000 0.551 357 V N 4.194 123.527 119.914 -0.967 0.000 3.078 357 V HA 0.681 4.801 4.120 0.000 0.000 0.311 357 V C -2.610 172.697 176.094 -1.311 0.000 1.138 357 V CA -3.170 58.502 62.300 -1.046 0.000 1.007 357 V CB 1.436 33.050 31.823 -0.348 0.000 1.045 357 V HN 0.517 nan 8.190 nan 0.000 0.432 358 P HA 0.238 nan 4.420 nan 0.000 0.270 358 P C 0.231 177.128 177.300 -0.672 0.000 1.223 358 P CA -0.110 62.619 63.100 -0.619 0.000 0.785 358 P CB 0.857 32.354 31.700 -0.337 0.000 0.923 359 K N 2.013 121.905 120.400 -0.846 0.000 1.991 359 K HA -0.065 4.255 4.320 0.000 0.000 0.208 359 K C 2.012 178.095 176.600 -0.862 0.000 1.038 359 K CA 0.877 56.261 56.287 -1.505 0.000 0.943 359 K CB -0.173 31.620 32.500 -1.178 0.000 0.736 359 K HN 0.185 nan 8.250 nan 0.000 0.440 360 R N 0.107 120.311 120.500 -0.493 0.000 2.134 360 R HA -0.166 4.174 4.340 0.000 0.000 0.248 360 R C -0.805 175.332 176.300 -0.271 0.000 1.143 360 R CA 2.062 57.975 56.100 -0.311 0.000 0.957 360 R CB -1.366 28.818 30.300 -0.195 0.000 0.867 360 R HN 0.336 nan 8.270 nan 0.000 0.441 361 P HA 0.067 nan 4.420 nan 0.000 0.236 361 P C 0.615 177.816 177.300 -0.166 0.000 1.177 361 P CA 1.048 64.046 63.100 -0.169 0.000 0.773 361 P CB 0.371 31.985 31.700 -0.143 0.000 0.878 362 S N -1.254 114.279 115.700 -0.278 0.000 2.475 362 S HA 0.114 4.584 4.470 0.000 0.000 0.224 362 S C 0.995 175.450 174.600 -0.242 0.000 1.042 362 S CA 0.100 58.175 58.200 -0.209 0.000 0.935 362 S CB -0.141 62.934 63.200 -0.208 0.000 0.801 362 S HN 0.004 nan 8.310 nan 0.000 0.509 363 V N -1.874 117.800 119.914 -0.399 0.000 3.181 363 V HA 0.880 5.000 4.120 0.000 0.000 0.314 363 V C -0.385 175.630 176.094 -0.132 0.000 1.173 363 V CA -1.079 61.032 62.300 -0.314 0.000 1.052 363 V CB 1.365 32.782 31.823 -0.677 0.000 1.123 363 V HN 0.194 nan 8.190 nan 0.000 0.454 364 c N 0.213 118.816 118.600 0.005 0.000 3.302 364 c HA 0.620 5.190 4.570 0.000 0.000 0.347 364 c C 1.011 175.168 174.090 0.111 0.000 1.218 364 c CA 0.497 56.853 56.329 0.045 0.000 1.234 364 c CB 1.482 44.013 42.510 0.035 0.000 1.551 364 c HN 1.307 nan 8.230 nan 0.000 0.501 365 T N 0.016 114.606 114.554 0.060 0.000 3.105 365 T HA 0.399 4.749 4.350 0.000 0.000 0.253 365 T C 0.206 174.903 174.700 -0.004 0.000 1.047 365 T CA 0.082 62.192 62.100 0.016 0.000 0.944 365 T CB -0.041 68.779 68.868 -0.081 0.000 1.016 365 T HN 0.571 nan 8.240 nan 0.000 0.544 366 M N 1.287 120.907 119.600 0.034 0.000 2.531 366 M HA 0.423 4.903 4.480 0.000 0.000 0.286 366 M C -1.372 175.049 176.300 0.202 0.000 1.232 366 M CA -0.401 54.947 55.300 0.080 0.000 0.877 366 M CB 2.798 35.417 32.600 0.032 0.000 1.726 366 M HN -0.064 nan 8.290 nan 0.000 0.463 367 T N 1.235 115.953 114.554 0.272 0.000 2.824 367 T HA 0.298 4.648 4.350 0.000 0.000 0.282 367 T C -0.454 174.436 174.700 0.317 0.000 0.993 367 T CA -0.767 61.502 62.100 0.282 0.000 0.967 367 T CB 1.931 70.896 68.868 0.162 0.000 0.960 367 T HN 0.576 nan 8.240 nan 0.000 0.441 368 K N 2.099 122.613 120.400 0.189 0.000 2.430 368 K HA -0.011 4.309 4.320 0.000 0.000 0.280 368 K C 0.044 176.630 176.600 -0.023 0.000 1.063 368 K CA -0.021 56.080 56.287 -0.310 0.000 1.071 368 K CB 0.280 32.641 32.500 -0.231 0.000 0.899 368 K HN 0.693 nan 8.250 nan 0.000 0.473 369 W N 3.641 124.785 121.300 -0.260 0.000 2.924 369 W HA 0.146 4.806 4.660 0.000 0.000 0.273 369 W C -0.329 176.133 176.519 -0.094 0.000 1.046 369 W CA 0.685 57.978 57.345 -0.088 0.000 1.788 369 W CB 0.512 29.983 29.460 0.019 0.000 1.127 369 W HN 0.430 nan 8.180 nan 0.000 0.571 370 Q N 1.706 121.312 119.800 -0.323 0.000 2.321 370 Q HA 0.241 4.581 4.340 0.000 0.000 0.270 370 Q C -1.323 174.504 176.000 -0.289 0.000 1.032 370 Q CA -0.342 55.165 55.803 -0.493 0.000 0.784 370 Q CB 1.922 30.172 28.738 -0.813 0.000 1.264 370 Q HN 0.253 nan 8.270 nan 0.000 0.448 371 E N 1.534 121.604 120.200 -0.217 0.000 2.167 371 E HA 0.405 4.755 4.350 0.000 0.000 0.284 371 E C -0.700 175.832 176.600 -0.113 0.000 1.016 371 E CA -0.497 55.821 56.400 -0.137 0.000 0.817 371 E CB 1.588 31.233 29.700 -0.093 0.000 1.080 371 E HN 0.167 nan 8.360 nan 0.000 0.397 372 V N 4.026 123.898 119.914 -0.070 0.000 2.350 372 V HA 0.046 4.166 4.120 0.000 0.000 0.285 372 V C 0.121 176.220 176.094 0.008 0.000 1.014 372 V CA -0.622 61.656 62.300 -0.038 0.000 0.831 372 V CB 1.301 33.117 31.823 -0.011 0.000 1.000 372 V HN 0.624 nan 8.190 nan 0.000 0.433 373 D N 2.357 122.764 120.400 0.011 0.000 2.078 373 D HA -0.082 4.558 4.640 0.000 0.000 0.193 373 D C 0.782 177.139 176.300 0.094 0.000 0.990 373 D CA 1.485 55.520 54.000 0.058 0.000 0.827 373 D CB 0.299 41.112 40.800 0.023 0.000 0.975 373 D HN 0.665 nan 8.370 nan 0.000 0.451 374 E N 0.076 120.316 120.200 0.066 0.000 2.103 374 E HA 0.268 4.618 4.350 0.000 0.000 0.254 374 E C -0.728 175.927 176.600 0.092 0.000 0.940 374 E CA -0.400 56.048 56.400 0.080 0.000 0.771 374 E CB 1.100 30.836 29.700 0.061 0.000 1.153 374 E HN 0.031 nan 8.360 nan 0.000 0.428 375 M N 3.972 123.652 119.600 0.133 0.000 2.149 375 M HA 0.305 4.785 4.480 0.000 0.000 0.342 375 M C -1.682 174.775 176.300 0.262 0.000 1.068 375 M CA -0.414 55.019 55.300 0.221 0.000 0.991 375 M CB 0.603 33.395 32.600 0.320 0.000 1.596 375 M HN 0.311 nan 8.290 nan 0.000 0.439 376 L N 5.112 126.453 121.223 0.195 0.000 2.264 376 L HA 0.550 4.890 4.340 0.000 0.000 0.289 376 L C -0.008 176.887 176.870 0.042 0.000 1.044 376 L CA -0.555 54.379 54.840 0.156 0.000 0.807 376 L CB 0.918 43.050 42.059 0.121 0.000 1.192 376 L HN 0.703 nan 8.230 nan 0.000 0.425 377 R N 2.797 123.215 120.500 -0.135 0.000 2.312 377 R HA 0.563 4.903 4.340 0.000 0.000 0.311 377 R C -0.530 175.566 176.300 -0.340 0.000 1.004 377 R CA -0.240 55.453 56.100 -0.680 0.000 0.902 377 R CB 1.309 30.733 30.300 -1.459 0.000 1.073 377 R HN 0.778 nan 8.270 nan 0.000 0.457 378 S N 2.013 117.537 115.700 -0.292 0.000 2.548 378 S HA 0.274 4.744 4.470 0.000 0.000 0.286 378 S C -0.851 173.772 174.600 0.037 0.000 1.098 378 S CA -1.017 57.074 58.200 -0.182 0.000 0.930 378 S CB 1.809 64.801 63.200 -0.346 0.000 1.070 378 S HN 0.767 nan 8.310 nan 0.000 0.480 379 E N 1.164 121.431 120.200 0.111 0.000 2.249 379 E HA 0.416 4.766 4.350 0.000 0.000 0.280 379 E C -1.898 174.757 176.600 0.092 0.000 1.016 379 E CA -0.689 55.780 56.400 0.115 0.000 0.830 379 E CB 0.870 30.568 29.700 -0.003 0.000 1.081 379 E HN 0.719 nan 8.360 nan 0.000 0.395 380 Y N 2.930 123.190 120.300 -0.068 0.000 2.287 380 Y HA 0.359 4.909 4.550 0.000 0.000 0.325 380 Y C 0.103 175.975 175.900 -0.048 0.000 1.139 380 Y CA 0.304 58.367 58.100 -0.062 0.000 1.167 380 Y CB 1.487 39.918 38.460 -0.048 0.000 1.158 380 Y HN 0.755 nan 8.280 nan 0.000 0.434 381 G N 2.950 111.525 108.800 -0.375 0.000 2.182 381 G HA2 0.065 4.025 3.960 0.000 0.000 0.248 381 G HA3 0.065 4.025 3.960 0.000 0.000 0.248 381 G C 1.011 175.830 174.900 -0.136 0.000 1.042 381 G CA 0.671 45.613 45.100 -0.263 0.000 0.775 381 G HN 2.076 nan 8.290 nan 0.000 0.501 382 G N -2.149 106.558 108.800 -0.156 0.000 2.184 382 G HA2 -0.055 3.905 3.960 0.000 0.000 0.264 382 G HA3 -0.055 3.905 3.960 0.000 0.000 0.264 382 G C 0.546 175.357 174.900 -0.148 0.000 0.975 382 G CA 1.009 46.020 45.100 -0.148 0.000 0.642 382 G HN 1.794 nan 8.290 nan 0.000 0.536 383 S N -0.640 114.999 115.700 -0.102 0.000 2.718 383 S HA 0.844 5.314 4.470 0.000 0.000 0.300 383 S C -0.755 173.796 174.600 -0.081 0.000 1.117 383 S CA -0.585 57.589 58.200 -0.043 0.000 1.002 383 S CB 1.368 64.615 63.200 0.079 0.000 1.092 383 S HN 0.240 nan 8.310 nan 0.000 0.542 384 F N 1.564 121.519 119.950 0.008 0.000 2.443 384 F HA 0.509 5.036 4.527 0.000 0.000 0.335 384 F C 0.583 176.334 175.800 -0.082 0.000 1.104 384 F CA -1.096 56.813 58.000 -0.152 0.000 1.013 384 F CB 1.171 39.984 39.000 -0.312 0.000 1.136 384 F HN 0.320 nan 8.300 nan 0.000 0.470 385 R N 3.176 123.714 120.500 0.064 0.000 2.294 385 R HA 0.501 4.841 4.340 0.000 0.000 0.319 385 R C -1.609 174.584 176.300 -0.178 0.000 0.984 385 R CA -0.498 55.639 56.100 0.062 0.000 0.861 385 R CB 1.057 31.404 30.300 0.079 0.000 1.104 385 R HN 0.349 nan 8.270 nan 0.000 0.451 386 F N 0.888 120.872 119.950 0.058 0.000 2.375 386 F HA 0.301 4.828 4.527 0.000 0.000 0.361 386 F C 0.459 176.349 175.800 0.150 0.000 1.117 386 F CA -0.436 57.573 58.000 0.016 0.000 1.037 386 F CB 2.043 41.021 39.000 -0.037 0.000 1.192 386 F HN 0.328 nan 8.300 nan 0.000 0.452 387 S N 2.426 118.286 115.700 0.267 0.000 2.454 387 S HA 0.554 5.024 4.470 0.000 0.000 0.306 387 S C -0.537 174.207 174.600 0.240 0.000 1.100 387 S CA -0.456 57.912 58.200 0.280 0.000 1.087 387 S CB 1.141 64.511 63.200 0.283 0.000 1.019 387 S HN 0.538 nan 8.310 nan 0.000 0.480 388 S N 3.302 119.103 115.700 0.170 0.000 2.566 388 S HA 0.267 4.737 4.470 0.000 0.000 0.324 388 S C 0.526 175.075 174.600 -0.085 0.000 1.081 388 S CA -0.633 57.591 58.200 0.040 0.000 1.105 388 S CB 1.211 64.389 63.200 -0.036 0.000 0.981 388 S HN 0.875 nan 8.310 nan 0.000 0.464 389 D N 4.816 125.231 120.400 0.026 0.000 2.144 389 D HA -0.034 4.606 4.640 0.000 0.000 0.199 389 D C 1.941 178.128 176.300 -0.188 0.000 0.984 389 D CA 1.622 55.620 54.000 -0.003 0.000 0.834 389 D CB 0.041 40.883 40.800 0.069 0.000 0.955 389 D HN 0.660 nan 8.370 nan 0.000 0.465 390 A N 0.580 123.306 122.820 -0.155 0.000 1.898 390 A HA -0.040 4.280 4.320 0.000 0.000 0.216 390 A C 2.134 179.574 177.584 -0.239 0.000 1.181 390 A CA 1.378 53.317 52.037 -0.164 0.000 0.620 390 A CB -0.712 18.214 19.000 -0.123 0.000 0.819 390 A HN 0.540 nan 8.150 nan 0.000 0.442 391 I N -4.984 115.407 120.570 -0.298 0.000 3.914 391 I HA 0.317 4.487 4.170 0.000 0.000 0.333 391 I C -0.033 175.783 176.117 -0.500 0.000 1.449 391 I CA 0.180 61.276 61.300 -0.339 0.000 1.135 391 I CB -0.025 37.787 38.000 -0.314 0.000 1.073 391 I HN 0.023 nan 8.210 nan 0.000 0.401 392 S N 0.991 116.216 115.700 -0.792 0.000 3.608 392 S HA -0.161 4.309 4.470 0.000 0.000 0.382 392 S C 0.217 174.111 174.600 -1.177 0.000 0.945 392 S CA 1.016 58.306 58.200 -1.518 0.000 1.256 392 S CB -1.729 60.919 63.200 -0.920 0.000 0.913 392 S HN 0.783 nan 8.310 nan 0.000 0.518 393 T N 1.809 115.857 114.554 -0.844 0.000 2.937 393 T HA 0.495 4.845 4.350 0.000 0.000 0.297 393 T C -0.274 174.304 174.700 -0.203 0.000 0.991 393 T CA -0.360 61.447 62.100 -0.488 0.000 0.990 393 T CB 1.683 70.240 68.868 -0.519 0.000 0.991 393 T HN 0.187 nan 8.240 nan 0.000 0.440 394 T N 4.271 118.707 114.554 -0.197 0.000 2.786 394 T HA 0.595 4.945 4.350 0.000 0.000 0.283 394 T C -0.693 173.869 174.700 -0.230 0.000 0.992 394 T CA -0.368 61.713 62.100 -0.031 0.000 0.954 394 T CB 0.292 69.233 68.868 0.122 0.000 0.934 394 T HN 0.328 nan 8.240 nan 0.000 0.440 395 F N 1.574 121.580 119.950 0.093 0.000 2.432 395 F HA 0.529 5.056 4.527 0.000 0.000 0.329 395 F C 0.990 176.918 175.800 0.215 0.000 1.076 395 F CA -0.712 57.350 58.000 0.103 0.000 1.018 395 F CB 1.752 40.810 39.000 0.097 0.000 1.201 395 F HN 0.334 nan 8.300 nan 0.000 0.489 396 T N 0.907 115.727 114.554 0.443 0.000 2.792 396 T HA 0.571 4.921 4.350 0.000 0.000 0.280 396 T C -0.242 174.683 174.700 0.374 0.000 0.990 396 T CA -0.781 61.536 62.100 0.362 0.000 0.960 396 T CB 1.333 70.374 68.868 0.288 0.000 0.939 396 T HN 0.745 nan 8.240 nan 0.000 0.439 397 T N 0.674 115.455 114.554 0.379 0.000 2.804 397 T HA 0.589 4.939 4.350 0.000 0.000 0.290 397 T C -0.499 174.380 174.700 0.298 0.000 1.099 397 T CA -1.003 61.316 62.100 0.364 0.000 1.011 397 T CB 1.309 70.455 68.868 0.462 0.000 1.291 397 T HN 0.270 nan 8.240 nan 0.000 0.523 398 N N -0.066 118.805 118.700 0.284 0.000 2.364 398 N HA 0.415 5.155 4.740 0.000 0.000 0.264 398 N C 1.142 176.759 175.510 0.178 0.000 1.263 398 N CA -0.791 52.366 53.050 0.180 0.000 0.959 398 N CB 0.451 39.039 38.487 0.168 0.000 1.204 398 N HN 0.607 nan 8.380 nan 0.000 0.550 399 L N -0.100 121.109 121.223 -0.023 0.000 2.418 399 L HA 0.068 4.408 4.340 0.000 0.000 0.218 399 L C 0.578 177.571 176.870 0.205 0.000 1.125 399 L CA 0.752 55.487 54.840 -0.175 0.000 0.835 399 L CB -0.243 41.627 42.059 -0.314 0.000 0.953 399 L HN 0.312 nan 8.230 nan 0.000 0.454 400 T N 0.371 115.051 114.554 0.211 0.000 2.882 400 T HA 0.188 4.538 4.350 0.000 0.000 0.287 400 T C 0.220 175.052 174.700 0.220 0.000 0.992 400 T CA -0.549 61.664 62.100 0.189 0.000 1.076 400 T CB 1.338 70.271 68.868 0.108 0.000 0.961 400 T HN 0.086 nan 8.240 nan 0.000 0.490 401 E N 0.997 121.230 120.200 0.054 0.000 2.408 401 E HA 0.087 4.437 4.350 0.000 0.000 0.259 401 E C -0.984 175.629 176.600 0.021 0.000 1.110 401 E CA -0.156 56.147 56.400 -0.163 0.000 0.929 401 E CB 0.621 30.187 29.700 -0.222 0.000 0.971 401 E HN 0.555 nan 8.360 nan 0.000 0.438 402 Y N 2.710 122.964 120.300 -0.077 0.000 2.320 402 Y HA 0.235 4.785 4.550 0.000 0.000 0.334 402 Y C -2.137 173.744 175.900 -0.031 0.000 1.055 402 Y CA -2.488 55.605 58.100 -0.012 0.000 1.143 402 Y CB 1.142 39.617 38.460 0.026 0.000 1.193 402 Y HN 0.237 nan 8.280 nan 0.000 0.477 403 P HA 0.079 nan 4.420 nan 0.000 0.291 403 P C -0.073 177.026 177.300 -0.335 0.000 1.340 403 P CA -0.275 62.619 63.100 -0.344 0.000 0.799 403 P CB 1.431 32.932 31.700 -0.330 0.000 0.917 404 L N 3.129 124.242 121.223 -0.184 0.000 2.450 404 L HA -0.123 4.217 4.340 0.000 0.000 0.224 404 L C 2.150 178.937 176.870 -0.139 0.000 1.149 404 L CA 1.645 56.390 54.840 -0.158 0.000 0.816 404 L CB -1.572 40.308 42.059 -0.298 0.000 0.932 404 L HN 0.370 nan 8.230 nan 0.000 0.449 405 S N -1.803 113.807 115.700 -0.149 0.000 2.561 405 S HA -0.097 4.373 4.470 0.000 0.000 0.225 405 S C 1.963 176.500 174.600 -0.105 0.000 0.977 405 S CA 0.191 58.323 58.200 -0.114 0.000 0.926 405 S CB -0.313 62.824 63.200 -0.106 0.000 0.769 405 S HN 0.454 nan 8.310 nan 0.000 0.533 406 R N 0.717 121.134 120.500 -0.137 0.000 2.300 406 R HA 0.280 4.620 4.340 0.000 0.000 0.199 406 R C -0.543 175.753 176.300 -0.007 0.000 0.920 406 R CA 0.087 56.125 56.100 -0.105 0.000 1.046 406 R CB 0.295 30.452 30.300 -0.239 0.000 0.984 406 R HN 0.277 nan 8.270 nan 0.000 0.493 407 V N 1.690 121.606 119.914 0.003 0.000 2.439 407 V HA 0.076 4.196 4.120 0.000 0.000 0.282 407 V C -0.501 175.586 176.094 -0.010 0.000 1.039 407 V CA -0.709 61.601 62.300 0.017 0.000 0.913 407 V CB 1.494 33.319 31.823 0.002 0.000 0.983 407 V HN 0.076 nan 8.190 nan 0.000 0.460 408 D N 4.496 124.898 120.400 0.003 0.000 2.325 408 D HA 0.388 5.028 4.640 0.000 0.000 0.251 408 D C 0.232 176.556 176.300 0.040 0.000 1.196 408 D CA 0.045 54.068 54.000 0.037 0.000 0.866 408 D CB 0.153 41.012 40.800 0.098 0.000 1.101 408 D HN 0.502 nan 8.370 nan 0.000 0.476 409 L N 3.256 124.490 121.223 0.018 0.000 3.671 409 L HA -0.166 4.174 4.340 0.000 0.000 0.609 409 L C 0.765 177.618 176.870 -0.029 0.000 1.251 409 L CA 0.634 55.472 54.840 -0.004 0.000 0.934 409 L CB -0.954 41.142 42.059 0.061 0.000 1.496 409 L HN 0.683 nan 8.230 nan 0.000 0.854 410 G N -1.075 107.683 108.800 -0.070 0.000 4.432 410 G HA2 0.265 4.225 3.960 0.000 0.000 0.294 410 G HA3 0.265 4.225 3.960 0.000 0.000 0.294 410 G C 0.653 175.472 174.900 -0.134 0.000 1.141 410 G CA 0.022 45.057 45.100 -0.108 0.000 0.895 410 G HN 0.383 nan 8.290 nan 0.000 0.548 411 D N 0.717 121.054 120.400 -0.105 0.000 2.126 411 D HA -0.199 4.441 4.640 0.000 0.000 0.190 411 D C 2.840 179.088 176.300 -0.086 0.000 1.001 411 D CA 1.914 55.855 54.000 -0.099 0.000 0.841 411 D CB -0.297 40.449 40.800 -0.090 0.000 0.949 411 D HN 0.473 nan 8.370 nan 0.000 0.446 412 c N 0.323 118.890 118.600 -0.056 0.000 2.411 412 c HA -0.087 4.483 4.570 0.000 0.000 0.279 412 c C 2.683 176.770 174.090 -0.004 0.000 1.288 412 c CA -0.286 56.046 56.329 0.005 0.000 1.764 412 c CB -1.552 40.993 42.510 0.060 0.000 1.974 412 c HN 0.263 nan 8.230 nan 0.000 0.498 413 I N 2.480 122.942 120.570 -0.180 0.000 2.044 413 I HA -0.158 4.012 4.170 0.000 0.000 0.234 413 I C 3.073 179.075 176.117 -0.192 0.000 1.031 413 I CA 2.232 63.238 61.300 -0.489 0.000 1.305 413 I CB -1.438 36.147 38.000 -0.693 0.000 1.026 413 I HN 0.455 nan 8.210 nan 0.000 0.392 414 G N 0.901 109.575 108.800 -0.209 0.000 2.475 414 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 414 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 414 G C 1.701 176.653 174.900 0.086 0.000 1.125 414 G CA 0.678 45.761 45.100 -0.029 0.000 0.755 414 G HN 0.321 nan 8.290 nan 0.000 0.565 415 K N 0.581 121.010 120.400 0.047 0.000 2.007 415 K HA -0.039 4.281 4.320 0.000 0.000 0.206 415 K C 2.099 178.781 176.600 0.137 0.000 1.047 415 K CA 1.273 57.605 56.287 0.076 0.000 0.937 415 K CB -0.408 32.118 32.500 0.044 0.000 0.718 415 K HN 0.132 nan 8.250 nan 0.000 0.438 416 D N 1.197 121.717 120.400 0.199 0.000 2.104 416 D HA -0.141 4.499 4.640 0.000 0.000 0.194 416 D C 1.908 178.401 176.300 0.323 0.000 0.994 416 D CA 1.639 55.813 54.000 0.291 0.000 0.830 416 D CB -0.290 40.815 40.800 0.509 0.000 0.959 416 D HN 0.212 nan 8.370 nan 0.000 0.452 417 A N 0.645 123.736 122.820 0.452 0.000 1.845 417 A HA -0.197 4.123 4.320 0.000 0.000 0.215 417 A C 2.206 179.920 177.584 0.217 0.000 1.195 417 A CA 1.688 53.967 52.037 0.403 0.000 0.616 417 A CB -0.607 18.717 19.000 0.540 0.000 0.832 417 A HN 0.086 nan 8.150 nan 0.000 0.443 418 R N -0.624 119.992 120.500 0.193 0.000 2.091 418 R HA -0.187 4.153 4.340 0.000 0.000 0.238 418 R C 1.543 177.897 176.300 0.090 0.000 1.136 418 R CA 1.918 58.090 56.100 0.120 0.000 0.959 418 R CB -0.334 30.029 30.300 0.105 0.000 0.856 418 R HN 0.544 nan 8.270 nan 0.000 0.437 419 D N -0.621 119.838 120.400 0.099 0.000 2.183 419 D HA -0.063 4.577 4.640 0.000 0.000 0.203 419 D C 1.542 177.886 176.300 0.074 0.000 0.969 419 D CA 1.307 55.354 54.000 0.078 0.000 0.842 419 D CB 0.019 40.866 40.800 0.078 0.000 0.957 419 D HN 0.306 nan 8.370 nan 0.000 0.484 420 A N 0.073 122.941 122.820 0.080 0.000 1.903 420 A HA 0.001 4.321 4.320 0.000 0.000 0.213 420 A C 2.037 179.663 177.584 0.070 0.000 1.185 420 A CA 0.555 52.631 52.037 0.064 0.000 0.628 420 A CB -0.418 18.610 19.000 0.046 0.000 0.830 420 A HN 0.102 nan 8.150 nan 0.000 0.446 421 M N -0.124 119.517 119.600 0.069 0.000 2.539 421 M HA -0.132 4.348 4.480 0.000 0.000 0.261 421 M C 0.801 177.146 176.300 0.075 0.000 1.069 421 M CA 0.999 56.333 55.300 0.057 0.000 1.081 421 M CB -0.267 32.347 32.600 0.024 0.000 1.412 421 M HN 0.340 nan 8.290 nan 0.000 0.482 422 D N -0.482 119.963 120.400 0.075 0.000 2.290 422 D HA -0.041 4.599 4.640 0.000 0.000 0.224 422 D C 1.863 178.245 176.300 0.137 0.000 0.967 422 D CA 0.766 54.813 54.000 0.079 0.000 0.893 422 D CB -0.262 40.566 40.800 0.046 0.000 1.037 422 D HN 0.272 nan 8.370 nan 0.000 0.477 423 R N 1.035 121.598 120.500 0.106 0.000 2.094 423 R HA -0.121 4.219 4.340 0.000 0.000 0.239 423 R C 2.326 178.701 176.300 0.126 0.000 1.137 423 R CA 1.327 57.487 56.100 0.101 0.000 0.943 423 R CB -0.538 29.802 30.300 0.068 0.000 0.850 423 R HN 0.117 nan 8.270 nan 0.000 0.433 424 I N 0.332 120.980 120.570 0.129 0.000 2.335 424 I HA -0.272 3.898 4.170 0.000 0.000 0.251 424 I C 2.226 178.476 176.117 0.221 0.000 1.129 424 I CA 1.234 62.614 61.300 0.135 0.000 1.402 424 I CB -0.313 37.764 38.000 0.127 0.000 1.069 424 I HN 0.239 nan 8.210 nan 0.000 0.424 425 F N 1.665 121.705 119.950 0.151 0.000 2.075 425 F HA -0.229 4.298 4.527 0.000 0.000 0.297 425 F C 2.527 178.425 175.800 0.163 0.000 1.113 425 F CA 1.673 59.813 58.000 0.234 0.000 1.218 425 F CB -0.233 38.838 39.000 0.117 0.000 0.984 425 F HN -0.009 nan 8.300 nan 0.000 0.472 426 A N 0.192 123.240 122.820 0.380 0.000 2.070 426 A HA -0.194 4.126 4.320 0.000 0.000 0.220 426 A C 2.257 179.872 177.584 0.051 0.000 1.159 426 A CA 1.660 53.834 52.037 0.228 0.000 0.656 426 A CB -0.833 18.287 19.000 0.201 0.000 0.800 426 A HN 0.542 nan 8.150 nan 0.000 0.453 427 R N -1.517 118.994 120.500 0.019 0.000 2.173 427 R HA 0.129 4.469 4.340 0.000 0.000 0.208 427 R C 2.102 178.310 176.300 -0.154 0.000 1.035 427 R CA 1.081 57.153 56.100 -0.047 0.000 1.004 427 R CB -0.047 30.238 30.300 -0.026 0.000 0.917 427 R HN 0.436 nan 8.270 nan 0.000 0.462 428 R N -1.607 118.732 120.500 -0.268 0.000 2.492 428 R HA 0.093 4.433 4.340 0.000 0.000 0.219 428 R C 0.122 175.922 176.300 -0.834 0.000 0.886 428 R CA 0.153 55.910 56.100 -0.572 0.000 1.003 428 R CB 0.683 30.518 30.300 -0.774 0.000 1.345 428 R HN 0.199 nan 8.270 nan 0.000 0.631 429 Y N 0.372 120.365 120.300 -0.513 0.000 2.626 429 Y HA 0.144 4.694 4.550 0.000 0.000 0.248 429 Y C 1.161 176.486 175.900 -0.958 0.000 1.147 429 Y CA -0.481 57.173 58.100 -0.743 0.000 1.219 429 Y CB 0.263 38.125 38.460 -0.997 0.000 1.279 429 Y HN 0.079 nan 8.280 nan 0.000 0.541 430 N N 1.849 120.258 118.700 -0.485 0.000 2.586 430 N HA -0.137 4.603 4.740 0.000 0.000 0.191 430 N C 0.772 176.305 175.510 0.038 0.000 1.085 430 N CA 1.411 54.426 53.050 -0.059 0.000 0.921 430 N CB 0.094 38.619 38.487 0.062 0.000 0.954 430 N HN 0.321 nan 8.380 nan 0.000 0.448 431 A N -2.188 120.607 122.820 -0.040 0.000 2.515 431 A HA 0.355 4.675 4.320 0.000 0.000 0.253 431 A C 0.728 178.329 177.584 0.028 0.000 0.863 431 A CA -0.290 51.763 52.037 0.026 0.000 1.124 431 A CB -0.070 18.938 19.000 0.014 0.000 1.214 431 A HN 0.232 nan 8.150 nan 0.000 0.470 432 T N -1.216 113.370 114.554 0.054 0.000 3.125 432 T HA 0.293 4.643 4.350 0.000 0.000 0.252 432 T C 0.618 175.408 174.700 0.151 0.000 0.981 432 T CA 0.923 63.105 62.100 0.138 0.000 1.069 432 T CB -0.010 69.022 68.868 0.275 0.000 1.091 432 T HN 0.540 nan 8.240 nan 0.000 0.460 433 H N -0.903 118.233 119.070 0.110 0.000 3.196 433 H HA 0.770 5.326 4.556 0.000 0.000 0.303 433 H C -1.242 174.206 175.328 0.201 0.000 1.605 433 H CA -0.931 55.192 56.048 0.125 0.000 1.351 433 H CB 0.967 30.764 29.762 0.057 0.000 1.860 433 H HN -0.004 nan 8.280 nan 0.000 0.697 434 I N 0.610 121.370 120.570 0.316 0.000 2.533 434 I HA 0.225 4.395 4.170 0.000 0.000 0.290 434 I C -0.749 175.467 176.117 0.165 0.000 1.056 434 I CA -0.671 60.785 61.300 0.260 0.000 1.057 434 I CB 1.778 39.910 38.000 0.219 0.000 1.240 434 I HN 0.206 nan 8.210 nan 0.000 0.423 435 K N 4.916 125.395 120.400 0.131 0.000 2.378 435 K HA 0.290 4.610 4.320 0.000 0.000 0.288 435 K C -0.756 175.810 176.600 -0.056 0.000 1.057 435 K CA -0.300 55.989 56.287 0.005 0.000 0.971 435 K CB 0.788 33.245 32.500 -0.073 0.000 0.975 435 K HN 0.286 nan 8.250 nan 0.000 0.475 436 V N 4.037 123.848 119.914 -0.172 0.000 2.322 436 V HA 0.221 4.341 4.120 0.000 0.000 0.258 436 V C 0.892 176.936 176.094 -0.083 0.000 1.074 436 V CA 0.270 62.384 62.300 -0.311 0.000 0.909 436 V CB -0.286 31.364 31.823 -0.288 0.000 1.090 436 V HN 1.111 nan 8.190 nan 0.000 0.486 437 G N 5.161 114.038 108.800 0.129 0.000 2.645 437 G HA2 -0.175 3.785 3.960 0.000 0.000 0.239 437 G HA3 -0.175 3.785 3.960 0.000 0.000 0.239 437 G C -0.382 174.563 174.900 0.075 0.000 1.331 437 G CA -0.451 44.747 45.100 0.164 0.000 0.890 437 G HN 0.577 nan 8.290 nan 0.000 0.572 438 Q N 0.265 120.096 119.800 0.052 0.000 2.199 438 Q HA 0.464 4.804 4.340 0.000 0.000 0.232 438 Q C -2.144 173.853 176.000 -0.005 0.000 0.969 438 Q CA -1.452 54.370 55.803 0.031 0.000 0.925 438 Q CB 0.747 29.518 28.738 0.055 0.000 1.198 438 Q HN 0.353 nan 8.270 nan 0.000 0.494 439 P HA -0.060 nan 4.420 nan 0.000 0.266 439 P C -0.941 176.273 177.300 -0.143 0.000 1.193 439 P CA 0.675 63.710 63.100 -0.109 0.000 0.770 439 P CB 0.424 32.064 31.700 -0.099 0.000 0.836 440 Q N 1.239 120.892 119.800 -0.244 0.000 2.377 440 Q HA 0.504 4.844 4.340 0.000 0.000 0.271 440 Q C -1.221 174.492 176.000 -0.479 0.000 1.077 440 Q CA -0.621 55.072 55.803 -0.185 0.000 0.820 440 Q CB 1.875 30.685 28.738 0.120 0.000 1.347 440 Q HN 0.403 nan 8.270 nan 0.000 0.444 441 Y N 0.848 121.037 120.300 -0.184 0.000 2.332 441 Y HA 0.408 4.958 4.550 0.000 0.000 0.326 441 Y C -1.160 174.605 175.900 -0.225 0.000 0.978 441 Y CA -0.697 57.344 58.100 -0.099 0.000 1.205 441 Y CB 1.030 39.477 38.460 -0.022 0.000 1.131 441 Y HN 0.501 nan 8.280 nan 0.000 0.462 442 Y N 2.741 123.113 120.300 0.121 0.000 2.468 442 Y HA 0.581 5.131 4.550 0.000 0.000 0.342 442 Y C -0.752 175.155 175.900 0.011 0.000 1.021 442 Y CA -1.343 56.817 58.100 0.099 0.000 1.079 442 Y CB 1.631 40.096 38.460 0.009 0.000 1.226 442 Y HN 0.434 nan 8.280 nan 0.000 0.460 443 L N 2.750 124.081 121.223 0.180 0.000 2.280 443 L HA 0.833 5.173 4.340 0.000 0.000 0.287 443 L C -0.366 176.578 176.870 0.122 0.000 1.023 443 L CA -0.610 54.230 54.840 0.000 0.000 0.819 443 L CB 0.339 42.232 42.059 -0.277 0.000 1.212 443 L HN 0.727 nan 8.230 nan 0.000 0.420 444 A N 3.995 126.903 122.820 0.146 0.000 2.295 444 A HA 0.607 4.927 4.320 0.000 0.000 0.318 444 A C -0.102 177.706 177.584 0.372 0.000 1.134 444 A CA -0.787 51.426 52.037 0.293 0.000 0.827 444 A CB 0.237 19.444 19.000 0.345 0.000 1.136 444 A HN 0.779 nan 8.150 nan 0.000 0.493 445 N N 0.199 119.144 118.700 0.408 0.000 2.292 445 N HA 0.259 4.999 4.740 0.000 0.000 0.242 445 N C 1.246 177.094 175.510 0.564 0.000 1.243 445 N CA 1.790 55.072 53.050 0.387 0.000 0.851 445 N CB 0.194 38.913 38.487 0.385 0.000 1.093 445 N HN 1.441 nan 8.380 nan 0.000 0.450 446 G N -0.317 108.648 108.800 0.274 0.000 2.179 446 G HA2 -0.139 3.821 3.960 0.000 0.000 0.260 446 G HA3 -0.139 3.821 3.960 0.000 0.000 0.260 446 G C 0.614 175.474 174.900 -0.065 0.000 0.977 446 G CA 0.512 45.748 45.100 0.228 0.000 0.641 446 G HN 1.524 nan 8.290 nan 0.000 0.533 447 G N -1.298 107.501 108.800 -0.001 0.000 2.341 447 G HA2 0.021 3.981 3.960 0.000 0.000 0.278 447 G HA3 0.021 3.981 3.960 0.000 0.000 0.278 447 G C -0.117 174.543 174.900 -0.399 0.000 1.111 447 G CA 0.238 45.210 45.100 -0.213 0.000 0.982 447 G HN 1.306 nan 8.290 nan 0.000 0.502 448 F N -0.559 119.427 119.950 0.059 0.000 2.449 448 F HA 0.588 5.115 4.527 0.000 0.000 0.342 448 F C 0.324 176.078 175.800 -0.077 0.000 1.127 448 F CA -1.334 56.677 58.000 0.018 0.000 0.975 448 F CB 1.851 40.888 39.000 0.062 0.000 1.146 448 F HN 0.127 nan 8.300 nan 0.000 0.444 449 L N 5.458 126.752 121.223 0.118 0.000 2.278 449 L HA 0.484 4.824 4.340 0.000 0.000 0.287 449 L C -0.570 176.394 176.870 0.157 0.000 1.072 449 L CA -0.100 54.786 54.840 0.077 0.000 0.819 449 L CB 0.061 42.144 42.059 0.040 0.000 1.176 449 L HN 0.443 nan 8.230 nan 0.000 0.435 450 I N 5.625 126.207 120.570 0.019 0.000 2.312 450 I HA 0.440 4.610 4.170 0.000 0.000 0.290 450 I C 0.339 176.489 176.117 0.055 0.000 1.008 450 I CA -0.322 60.926 61.300 -0.087 0.000 1.226 450 I CB 1.336 39.024 38.000 -0.519 0.000 1.371 450 I HN 0.729 nan 8.210 nan 0.000 0.468 451 A N 6.819 129.711 122.820 0.120 0.000 2.289 451 A HA 0.524 4.844 4.320 0.000 0.000 0.298 451 A C -1.239 176.327 177.584 -0.030 0.000 1.208 451 A CA -0.142 51.817 52.037 -0.131 0.000 0.845 451 A CB 0.257 19.284 19.000 0.045 0.000 1.125 451 A HN 0.628 nan 8.150 nan 0.000 0.517 452 Y N 1.721 121.894 120.300 -0.212 0.000 2.354 452 Y HA 0.504 5.054 4.550 0.000 0.000 0.330 452 Y C -0.427 175.453 175.900 -0.033 0.000 1.011 452 Y CA -0.707 57.377 58.100 -0.027 0.000 1.099 452 Y CB 2.054 40.624 38.460 0.184 0.000 1.179 452 Y HN 0.655 nan 8.280 nan 0.000 0.442 453 Q N 8.477 127.986 119.800 -0.486 0.000 2.400 453 Q HA 0.499 4.839 4.340 0.000 0.000 0.255 453 Q C -2.882 172.703 176.000 -0.691 0.000 1.008 453 Q CA -2.769 52.774 55.803 -0.432 0.000 0.841 453 Q CB 1.427 30.009 28.738 -0.259 0.000 1.220 453 Q HN 0.330 nan 8.270 nan 0.000 0.474 454 P HA 0.093 nan 4.420 nan 0.000 0.271 454 P C -0.832 176.322 177.300 -0.243 0.000 1.220 454 P CA 0.234 63.120 63.100 -0.355 0.000 0.768 454 P CB 0.648 32.299 31.700 -0.082 0.000 0.848 455 L N 3.037 124.137 121.223 -0.206 0.000 2.298 455 L HA 0.734 5.074 4.340 0.000 0.000 0.268 455 L C -0.357 176.538 176.870 0.043 0.000 1.010 455 L CA -1.111 53.658 54.840 -0.119 0.000 0.812 455 L CB 1.402 43.271 42.059 -0.317 0.000 1.331 455 L HN 0.205 nan 8.230 nan 0.000 0.450 456 L N 0.030 121.363 121.223 0.182 0.000 2.565 456 L HA 0.372 4.712 4.340 0.000 0.000 0.261 456 L C -0.466 176.444 176.870 0.067 0.000 0.932 456 L CA 0.111 55.036 54.840 0.142 0.000 0.878 456 L CB 2.143 44.216 42.059 0.023 0.000 1.333 456 L HN 0.552 nan 8.230 nan 0.000 0.409 457 S N 2.765 118.373 115.700 -0.152 0.000 2.572 457 S HA 0.175 4.645 4.470 0.000 0.000 0.279 457 S C 1.110 175.587 174.600 -0.205 0.000 1.341 457 S CA -0.095 57.789 58.200 -0.526 0.000 1.043 457 S CB 0.497 63.453 63.200 -0.406 0.000 0.887 457 S HN 0.807 nan 8.310 nan 0.000 0.516 458 N N 2.669 121.260 118.700 -0.182 0.000 2.205 458 N HA -0.097 4.643 4.740 0.000 0.000 0.186 458 N C 1.674 177.161 175.510 -0.037 0.000 1.015 458 N CA 1.641 54.662 53.050 -0.049 0.000 0.862 458 N CB -0.917 37.558 38.487 -0.020 0.000 0.986 458 N HN 0.676 nan 8.380 nan 0.000 0.429 459 T N 1.468 115.983 114.554 -0.066 0.000 2.665 459 T HA -0.095 4.255 4.350 0.000 0.000 0.268 459 T C 1.538 176.228 174.700 -0.017 0.000 1.035 459 T CA 0.956 63.034 62.100 -0.036 0.000 1.151 459 T CB -0.163 68.679 68.868 -0.043 0.000 0.862 459 T HN 0.251 nan 8.240 nan 0.000 0.438 460 L N 0.647 121.856 121.223 -0.022 0.000 2.728 460 L HA 0.448 4.788 4.340 0.000 0.000 0.235 460 L C 2.398 179.282 176.870 0.024 0.000 1.197 460 L CA -0.274 54.568 54.840 0.003 0.000 0.992 460 L CB -0.583 41.478 42.059 0.004 0.000 1.263 460 L HN 0.121 nan 8.230 nan 0.000 0.484 461 A N 1.163 123.999 122.820 0.027 0.000 2.148 461 A HA -0.194 4.126 4.320 0.000 0.000 0.222 461 A C 1.871 179.501 177.584 0.076 0.000 1.161 461 A CA 1.515 53.588 52.037 0.059 0.000 0.662 461 A CB -0.367 18.665 19.000 0.053 0.000 0.799 461 A HN 0.611 nan 8.150 nan 0.000 0.466 462 E N 0.003 120.236 120.200 0.055 0.000 2.330 462 E HA 0.193 4.543 4.350 0.000 0.000 0.210 462 E C 0.418 177.059 176.600 0.068 0.000 1.256 462 E CA 0.127 56.560 56.400 0.056 0.000 1.346 462 E CB -0.403 29.320 29.700 0.038 0.000 1.308 462 E HN 0.623 nan 8.360 nan 0.000 0.441 463 L N -1.028 120.250 121.223 0.093 0.000 3.327 463 L HA 0.156 4.497 4.340 0.000 0.000 0.299 463 L C 1.572 178.521 176.870 0.133 0.000 1.201 463 L CA -0.321 54.574 54.840 0.090 0.000 1.059 463 L CB 0.003 42.097 42.059 0.059 0.000 1.488 463 L HN 0.095 nan 8.230 nan 0.000 0.609 464 Y N 1.146 121.471 120.300 0.043 0.000 2.102 464 Y HA -0.356 4.194 4.550 0.000 0.000 0.280 464 Y C 2.323 178.261 175.900 0.064 0.000 1.178 464 Y CA 2.342 60.475 58.100 0.054 0.000 1.146 464 Y CB 0.117 38.591 38.460 0.023 0.000 0.968 464 Y HN -0.055 nan 8.280 nan 0.000 0.504 465 V N 0.172 120.268 119.914 0.304 0.000 2.469 465 V HA -0.347 3.773 4.120 0.000 0.000 0.251 465 V C 2.661 178.863 176.094 0.180 0.000 1.064 465 V CA 2.270 64.693 62.300 0.205 0.000 1.066 465 V CB -1.893 29.992 31.823 0.104 0.000 0.667 465 V HN 0.539 nan 8.190 nan 0.000 0.461 466 R N 0.258 120.844 120.500 0.143 0.000 2.060 466 R HA -0.055 4.285 4.340 0.000 0.000 0.225 466 R C 2.150 178.514 176.300 0.107 0.000 1.155 466 R CA 1.546 57.709 56.100 0.105 0.000 0.930 466 R CB -1.042 29.303 30.300 0.076 0.000 0.829 466 R HN 0.517 nan 8.270 nan 0.000 0.433 467 E N -0.309 119.942 120.200 0.084 0.000 2.358 467 E HA -0.074 4.276 4.350 0.000 0.000 0.195 467 E C 1.740 178.376 176.600 0.060 0.000 1.010 467 E CA 0.980 57.414 56.400 0.058 0.000 0.856 467 E CB -0.204 29.511 29.700 0.024 0.000 0.795 467 E HN 0.818 nan 8.360 nan 0.000 0.504 468 H N 0.838 119.902 119.070 -0.010 0.000 2.270 468 H HA -0.138 4.418 4.556 0.000 0.000 0.299 468 H C 2.120 177.493 175.328 0.074 0.000 1.077 468 H CA 1.770 57.831 56.048 0.022 0.000 1.294 468 H CB -0.191 29.665 29.762 0.157 0.000 1.371 468 H HN 0.086 nan 8.280 nan 0.000 0.491 469 L N 0.560 121.928 121.223 0.242 0.000 2.137 469 L HA -0.219 4.121 4.340 0.000 0.000 0.213 469 L C 1.978 178.883 176.870 0.058 0.000 1.085 469 L CA 1.609 56.540 54.840 0.153 0.000 0.760 469 L CB -0.402 41.745 42.059 0.148 0.000 0.893 469 L HN 0.250 nan 8.230 nan 0.000 0.434 470 R N -0.379 120.154 120.500 0.055 0.000 2.093 470 R HA 0.007 4.347 4.340 0.000 0.000 0.224 470 R C 2.042 178.373 176.300 0.053 0.000 1.101 470 R CA 0.905 57.039 56.100 0.056 0.000 0.979 470 R CB -0.780 29.562 30.300 0.070 0.000 0.877 470 R HN 0.446 nan 8.270 nan 0.000 0.441 471 E N 1.134 121.335 120.200 0.002 0.000 2.268 471 E HA -0.129 4.221 4.350 0.000 0.000 0.195 471 E C 1.833 178.412 176.600 -0.034 0.000 0.995 471 E CA 0.698 57.100 56.400 0.005 0.000 0.836 471 E CB 0.047 29.708 29.700 -0.066 0.000 0.763 471 E HN 0.460 nan 8.360 nan 0.000 0.491 472 Q N 0.329 120.069 119.800 -0.100 0.000 2.137 472 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 472 Q C 2.314 178.319 176.000 0.007 0.000 0.960 472 Q CA 1.329 57.092 55.803 -0.066 0.000 0.847 472 Q CB -0.005 28.692 28.738 -0.070 0.000 0.915 472 Q HN 0.264 nan 8.270 nan 0.000 0.448 473 S N 0.775 116.493 115.700 0.030 0.000 2.383 473 S HA -0.186 4.284 4.470 0.000 0.000 0.229 473 S C 1.786 176.424 174.600 0.063 0.000 1.030 473 S CA 0.990 59.217 58.200 0.045 0.000 1.002 473 S CB -0.237 62.993 63.200 0.050 0.000 0.829 473 S HN 0.248 nan 8.310 nan 0.000 0.467 474 R N 1.217 121.777 120.500 0.100 0.000 2.189 474 R HA 0.181 4.521 4.340 0.000 0.000 0.223 474 R C 0.569 176.913 176.300 0.074 0.000 1.092 474 R CA 0.541 56.730 56.100 0.149 0.000 0.989 474 R CB -0.168 30.302 30.300 0.282 0.000 0.876 474 R HN 0.237 nan 8.270 nan 0.000 0.457 475 K N 1.688 122.112 120.400 0.040 0.000 2.561 475 K HA -0.029 4.291 4.320 0.000 0.000 0.280 475 K C -2.326 174.276 176.600 0.003 0.000 0.975 475 K CA -0.975 55.320 56.287 0.013 0.000 1.024 475 K CB -0.068 32.438 32.500 0.010 0.000 0.883 475 K HN -0.087 nan 8.250 nan 0.000 0.496 476 P HA 0.109 nan 4.420 nan 0.000 0.267 476 P C -2.047 175.236 177.300 -0.028 0.000 1.209 476 P CA -0.760 62.319 63.100 -0.034 0.000 0.763 476 P CB -0.057 31.608 31.700 -0.059 0.000 0.816 493 E N 3.400 123.614 120.200 0.023 0.000 2.412 493 E HA 0.773 5.123 4.350 0.000 0.000 0.255 493 E C -1.056 175.531 176.600 -0.023 0.000 0.933 493 E CA -1.446 54.961 56.400 0.012 0.000 0.823 493 E CB 2.201 31.918 29.700 0.029 0.000 1.352 493 E HN 0.698 nan 8.360 nan 0.000 0.406 494 R N 0.867 121.327 120.500 -0.067 0.000 2.360 494 R HA 0.415 4.755 4.340 0.000 0.000 0.318 494 R C -0.496 175.743 176.300 -0.102 0.000 0.950 494 R CA -0.705 55.320 56.100 -0.125 0.000 0.837 494 R CB 1.058 31.216 30.300 -0.237 0.000 1.165 494 R HN 0.512 nan 8.270 nan 0.000 0.458 495 I N 3.399 123.905 120.570 -0.106 0.000 2.648 495 I HA -0.000 4.170 4.170 0.000 0.000 0.284 495 I C 0.431 176.457 176.117 -0.152 0.000 1.153 495 I CA 0.463 61.683 61.300 -0.133 0.000 1.426 495 I CB 0.356 38.248 38.000 -0.179 0.000 1.381 495 I HN 0.125 nan 8.210 nan 0.000 0.571 496 K N 4.918 125.226 120.400 -0.153 0.000 2.307 496 K HA 0.429 4.749 4.320 0.000 0.000 0.263 496 K C -0.618 175.843 176.600 -0.232 0.000 0.973 496 K CA -0.550 55.636 56.287 -0.168 0.000 0.846 496 K CB 1.662 34.086 32.500 -0.127 0.000 1.100 496 K HN 0.476 nan 8.250 nan 0.000 0.438 497 T N 1.401 115.775 114.554 -0.300 0.000 2.837 497 T HA 0.139 4.489 4.350 0.000 0.000 0.285 497 T C 0.295 174.789 174.700 -0.343 0.000 0.984 497 T CA -0.213 61.591 62.100 -0.494 0.000 1.049 497 T CB 1.292 69.784 68.868 -0.626 0.000 0.947 497 T HN 0.458 nan 8.240 nan 0.000 0.472 498 T N 1.438 115.809 114.554 -0.305 0.000 2.918 498 T HA 0.092 4.442 4.350 0.000 0.000 0.302 498 T C 1.369 176.050 174.700 -0.032 0.000 1.045 498 T CA -0.428 61.609 62.100 -0.106 0.000 1.114 498 T CB 0.337 69.191 68.868 -0.024 0.000 0.965 498 T HN 0.501 nan 8.240 nan 0.000 0.540 499 S N 2.512 118.205 115.700 -0.012 0.000 2.522 499 S HA 0.101 4.571 4.470 0.000 0.000 0.227 499 S C 0.672 175.323 174.600 0.085 0.000 0.986 499 S CA 0.000 58.205 58.200 0.008 0.000 0.929 499 S CB 0.236 63.432 63.200 -0.006 0.000 0.769 499 S HN 0.622 nan 8.310 nan 0.000 0.529 500 S N 1.538 117.325 115.700 0.146 0.000 2.448 500 S HA 0.380 4.850 4.470 0.000 0.000 0.320 500 S C 0.335 175.155 174.600 0.368 0.000 1.071 500 S CA -0.491 57.828 58.200 0.198 0.000 1.113 500 S CB 1.097 64.386 63.200 0.149 0.000 0.972 500 S HN 0.201 nan 8.310 nan 0.000 0.465 501 I N 3.525 124.270 120.570 0.291 0.000 3.564 501 I HA 0.073 4.243 4.170 0.000 0.000 0.294 501 I C 1.656 177.825 176.117 0.086 0.000 1.289 501 I CA 0.541 61.973 61.300 0.221 0.000 1.325 501 I CB -0.316 37.795 38.000 0.185 0.000 1.039 501 I HN 0.544 nan 8.210 nan 0.000 0.474 502 E N 0.615 120.935 120.200 0.199 0.000 2.153 502 E HA -0.269 4.081 4.350 0.000 0.000 0.194 502 E C 2.123 178.777 176.600 0.090 0.000 0.988 502 E CA 1.619 58.082 56.400 0.104 0.000 0.811 502 E CB -0.850 28.916 29.700 0.109 0.000 0.746 502 E HN 0.734 nan 8.360 nan 0.000 0.466 503 F N 0.574 120.516 119.950 -0.013 0.000 2.269 503 F HA 0.101 4.628 4.527 0.000 0.000 0.301 503 F C 2.244 178.016 175.800 -0.046 0.000 1.082 503 F CA 0.830 58.819 58.000 -0.018 0.000 1.360 503 F CB -0.341 38.666 39.000 0.011 0.000 1.041 503 F HN -0.050 nan 8.300 nan 0.000 0.512 504 A N 1.121 123.284 122.820 -1.095 0.000 2.021 504 A HA 0.057 4.377 4.320 0.000 0.000 0.216 504 A C 2.303 179.600 177.584 -0.478 0.000 1.163 504 A CA 0.531 51.980 52.037 -0.980 0.000 0.676 504 A CB -0.519 17.657 19.000 -1.374 0.000 0.818 504 A HN 0.443 nan 8.150 nan 0.000 0.453 505 R N -0.506 119.788 120.500 -0.344 0.000 2.153 505 R HA 0.152 4.492 4.340 0.000 0.000 0.218 505 R C 1.747 178.024 176.300 -0.037 0.000 1.072 505 R CA 0.672 56.655 56.100 -0.196 0.000 0.990 505 R CB -0.318 29.872 30.300 -0.184 0.000 0.889 505 R HN 0.451 nan 8.270 nan 0.000 0.452 506 L N 0.429 121.627 121.223 -0.041 0.000 2.023 506 L HA -0.179 4.161 4.340 0.000 0.000 0.205 506 L C 2.591 179.507 176.870 0.076 0.000 1.073 506 L CA 1.126 55.980 54.840 0.024 0.000 0.745 506 L CB -0.476 41.588 42.059 0.008 0.000 0.900 506 L HN 0.085 nan 8.230 nan 0.000 0.435 507 Q N 0.234 120.051 119.800 0.028 0.000 2.012 507 Q HA -0.311 4.029 4.340 0.000 0.000 0.211 507 Q C 2.033 178.127 176.000 0.156 0.000 1.009 507 Q CA 2.427 58.272 55.803 0.070 0.000 0.866 507 Q CB -0.785 27.950 28.738 -0.004 0.000 0.945 507 Q HN 0.405 nan 8.270 nan 0.000 0.414 508 F N 0.045 119.980 119.950 -0.026 0.000 2.065 508 F HA -0.290 4.237 4.527 0.000 0.000 0.298 508 F C 2.058 177.918 175.800 0.100 0.000 1.112 508 F CA 2.299 60.315 58.000 0.026 0.000 1.212 508 F CB -0.703 38.198 39.000 -0.164 0.000 0.975 508 F HN 0.109 nan 8.300 nan 0.000 0.476 509 T N -0.457 114.257 114.554 0.267 0.000 2.708 509 T HA -0.267 4.083 4.350 0.000 0.000 0.266 509 T C 1.548 176.306 174.700 0.097 0.000 1.037 509 T CA 1.770 63.966 62.100 0.160 0.000 1.146 509 T CB -0.881 68.083 68.868 0.161 0.000 0.865 509 T HN 0.535 nan 8.240 nan 0.000 0.435 510 Y N 2.637 122.945 120.300 0.012 0.000 2.097 510 Y HA -0.243 4.307 4.550 0.000 0.000 0.282 510 Y C 2.318 178.198 175.900 -0.034 0.000 1.152 510 Y CA 1.588 59.684 58.100 -0.008 0.000 1.136 510 Y CB -0.392 38.064 38.460 -0.006 0.000 0.975 510 Y HN 0.116 nan 8.280 nan 0.000 0.498 511 N N -0.285 118.454 118.700 0.066 0.000 2.061 511 N HA -0.218 4.522 4.740 0.000 0.000 0.193 511 N C 1.524 176.876 175.510 -0.263 0.000 1.030 511 N CA 2.131 55.112 53.050 -0.115 0.000 0.856 511 N CB -0.832 37.601 38.487 -0.091 0.000 1.023 511 N HN 0.508 nan 8.380 nan 0.000 0.424 512 H N -0.066 118.795 119.070 -0.348 0.000 2.389 512 H HA 0.141 4.697 4.556 0.000 0.000 0.299 512 H C 2.012 177.206 175.328 -0.223 0.000 1.081 512 H CA 0.839 56.674 56.048 -0.355 0.000 1.345 512 H CB -0.122 29.309 29.762 -0.552 0.000 1.393 512 H HN 0.213 nan 8.280 nan 0.000 0.520 513 I N -0.093 120.417 120.570 -0.101 0.000 2.333 513 I HA -0.212 3.958 4.170 0.000 0.000 0.246 513 I C 2.560 178.583 176.117 -0.156 0.000 1.106 513 I CA 0.953 62.197 61.300 -0.094 0.000 1.411 513 I CB -0.194 37.752 38.000 -0.090 0.000 1.082 513 I HN 0.313 nan 8.210 nan 0.000 0.420 514 Q N 1.612 121.215 119.800 -0.327 0.000 2.020 514 Q HA -0.275 4.065 4.340 0.000 0.000 0.202 514 Q C 2.414 178.279 176.000 -0.225 0.000 0.982 514 Q CA 1.799 57.380 55.803 -0.371 0.000 0.838 514 Q CB -0.156 28.212 28.738 -0.616 0.000 0.899 514 Q HN 0.378 nan 8.270 nan 0.000 0.423 515 R N -0.490 119.880 120.500 -0.217 0.000 2.143 515 R HA -0.307 4.033 4.340 0.000 0.000 0.239 515 R C 2.204 178.447 176.300 -0.095 0.000 1.126 515 R CA 2.361 58.363 56.100 -0.164 0.000 0.927 515 R CB -1.034 29.134 30.300 -0.219 0.000 0.860 515 R HN 0.455 nan 8.270 nan 0.000 0.433 516 H N 0.014 118.995 119.070 -0.149 0.000 2.319 516 H HA -0.094 4.462 4.556 0.000 0.000 0.297 516 H C 2.085 177.356 175.328 -0.095 0.000 1.097 516 H CA 2.444 58.428 56.048 -0.106 0.000 1.285 516 H CB -0.273 29.435 29.762 -0.090 0.000 1.368 516 H HN 0.119 nan 8.280 nan 0.000 0.495 517 V N 0.804 120.644 119.914 -0.124 0.000 2.261 517 V HA -0.281 3.839 4.120 0.000 0.000 0.246 517 V C 2.158 178.149 176.094 -0.172 0.000 1.047 517 V CA 2.091 64.292 62.300 -0.164 0.000 1.015 517 V CB -0.501 31.262 31.823 -0.100 0.000 0.642 517 V HN 0.560 nan 8.190 nan 0.000 0.446 518 N N 0.166 118.780 118.700 -0.144 0.000 2.104 518 N HA -0.184 4.556 4.740 0.000 0.000 0.190 518 N C 1.600 177.039 175.510 -0.118 0.000 1.024 518 N CA 1.811 54.792 53.050 -0.115 0.000 0.853 518 N CB -0.506 37.923 38.487 -0.098 0.000 1.008 518 N HN 0.620 nan 8.380 nan 0.000 0.424 519 D N 0.375 120.690 120.400 -0.141 0.000 2.077 519 D HA -0.091 4.549 4.640 0.000 0.000 0.197 519 D C 1.946 178.153 176.300 -0.155 0.000 0.983 519 D CA 1.032 54.954 54.000 -0.129 0.000 0.841 519 D CB -0.090 40.637 40.800 -0.122 0.000 0.992 519 D HN -0.102 nan 8.370 nan 0.000 0.450 520 M N 0.204 119.649 119.600 -0.259 0.000 2.226 520 M HA -0.190 4.290 4.480 0.000 0.000 0.257 520 M C 2.634 178.846 176.300 -0.147 0.000 1.070 520 M CA 1.290 56.447 55.300 -0.238 0.000 1.087 520 M CB -1.462 30.908 32.600 -0.384 0.000 1.278 520 M HN 0.203 nan 8.290 nan 0.000 0.426 521 L N -0.730 120.405 121.223 -0.147 0.000 2.079 521 L HA -0.189 4.151 4.340 0.000 0.000 0.210 521 L C 2.597 179.419 176.870 -0.082 0.000 1.081 521 L CA 1.347 56.123 54.840 -0.106 0.000 0.752 521 L CB -1.338 40.659 42.059 -0.104 0.000 0.896 521 L HN 0.466 nan 8.230 nan 0.000 0.433 522 G N -0.061 108.692 108.800 -0.079 0.000 2.480 522 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 522 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 522 G C 1.670 176.550 174.900 -0.034 0.000 1.200 522 G CA 0.646 45.715 45.100 -0.052 0.000 0.782 522 G HN 0.300 nan 8.290 nan 0.000 0.554 523 R N -0.229 120.247 120.500 -0.040 0.000 2.117 523 R HA -0.061 4.279 4.340 0.000 0.000 0.243 523 R C 2.642 178.943 176.300 0.002 0.000 1.143 523 R CA 1.184 57.272 56.100 -0.020 0.000 0.968 523 R CB -0.634 29.647 30.300 -0.031 0.000 0.863 523 R HN 0.320 nan 8.270 nan 0.000 0.444 524 V N 1.075 120.983 119.914 -0.010 0.000 2.295 524 V HA -0.257 3.863 4.120 0.000 0.000 0.246 524 V C 2.481 178.611 176.094 0.061 0.000 1.049 524 V CA 1.995 64.305 62.300 0.018 0.000 1.024 524 V CB -0.732 31.073 31.823 -0.030 0.000 0.648 524 V HN 0.424 nan 8.190 nan 0.000 0.447 525 A N -0.499 122.332 122.820 0.018 0.000 1.978 525 A HA -0.174 4.146 4.320 0.000 0.000 0.220 525 A C 2.174 179.830 177.584 0.120 0.000 1.170 525 A CA 1.893 53.956 52.037 0.043 0.000 0.636 525 A CB -0.492 18.505 19.000 -0.006 0.000 0.810 525 A HN 0.540 nan 8.150 nan 0.000 0.448 526 I N -0.761 119.857 120.570 0.081 0.000 2.277 526 I HA -0.159 4.011 4.170 0.000 0.000 0.243 526 I C 2.863 179.033 176.117 0.088 0.000 1.094 526 I CA 0.896 62.240 61.300 0.073 0.000 1.393 526 I CB -0.303 37.719 38.000 0.036 0.000 1.078 526 I HN 0.320 nan 8.210 nan 0.000 0.417 527 A N 0.310 123.182 122.820 0.088 0.000 2.125 527 A HA -0.237 4.083 4.320 0.000 0.000 0.219 527 A C 2.171 179.829 177.584 0.122 0.000 1.156 527 A CA 0.996 53.076 52.037 0.072 0.000 0.671 527 A CB -0.848 18.190 19.000 0.064 0.000 0.794 527 A HN 0.730 nan 8.150 nan 0.000 0.459 528 W N -0.549 120.740 121.300 -0.018 0.000 2.480 528 W HA -0.157 4.503 4.660 0.000 0.000 0.299 528 W C 2.444 178.961 176.519 -0.002 0.000 1.187 528 W CA 1.194 58.533 57.345 -0.010 0.000 1.347 528 W CB -0.567 28.886 29.460 -0.012 0.000 1.121 528 W HN 0.432 nan 8.180 nan 0.000 0.533 529 c N 2.097 120.823 118.600 0.209 0.000 2.413 529 c HA -0.216 4.354 4.570 0.000 0.000 0.276 529 c C 2.380 176.470 174.090 0.001 0.000 1.236 529 c CA 2.168 58.550 56.329 0.088 0.000 1.735 529 c CB -1.143 41.427 42.510 0.101 0.000 2.031 529 c HN 0.433 nan 8.230 nan 0.000 0.474 530 E N 0.224 120.427 120.200 0.006 0.000 2.049 530 E HA -0.276 4.074 4.350 0.000 0.000 0.198 530 E C 2.023 178.594 176.600 -0.047 0.000 1.007 530 E CA 1.721 58.109 56.400 -0.020 0.000 0.809 530 E CB -0.476 29.201 29.700 -0.038 0.000 0.749 530 E HN 0.678 nan 8.360 nan 0.000 0.450 531 L N 1.276 122.430 121.223 -0.115 0.000 2.042 531 L HA -0.242 4.098 4.340 0.000 0.000 0.210 531 L C 2.268 179.078 176.870 -0.100 0.000 1.076 531 L CA 1.713 56.471 54.840 -0.136 0.000 0.749 531 L CB -0.258 41.663 42.059 -0.231 0.000 0.893 531 L HN 0.065 nan 8.230 nan 0.000 0.432 532 Q N -0.264 119.397 119.800 -0.233 0.000 2.020 532 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 532 Q C 2.144 178.116 176.000 -0.045 0.000 0.982 532 Q CA 1.726 57.412 55.803 -0.194 0.000 0.838 532 Q CB -0.855 27.728 28.738 -0.258 0.000 0.899 532 Q HN 0.568 nan 8.270 nan 0.000 0.423 533 N N 0.580 119.270 118.700 -0.016 0.000 2.021 533 N HA -0.205 4.535 4.740 0.000 0.000 0.198 533 N C 1.708 177.266 175.510 0.080 0.000 1.041 533 N CA 1.635 54.705 53.050 0.033 0.000 0.862 533 N CB -0.871 37.641 38.487 0.041 0.000 1.048 533 N HN 0.382 nan 8.380 nan 0.000 0.427 534 H N 1.080 120.138 119.070 -0.020 0.000 2.297 534 H HA -0.123 4.433 4.556 0.000 0.000 0.289 534 H C 1.557 176.893 175.328 0.014 0.000 1.105 534 H CA 2.196 58.238 56.048 -0.009 0.000 1.219 534 H CB -0.080 29.664 29.762 -0.030 0.000 1.351 534 H HN 0.432 nan 8.280 nan 0.000 0.481 535 E N -0.582 119.678 120.200 0.100 0.000 2.347 535 E HA -0.096 4.254 4.350 0.000 0.000 0.196 535 E C 2.159 178.865 176.600 0.176 0.000 1.008 535 E CA 0.502 56.955 56.400 0.089 0.000 0.852 535 E CB -0.060 29.724 29.700 0.141 0.000 0.783 535 E HN 0.335 nan 8.360 nan 0.000 0.505 536 L N 1.391 122.710 121.223 0.159 0.000 2.129 536 L HA -0.210 4.130 4.340 0.000 0.000 0.212 536 L C 2.053 179.041 176.870 0.196 0.000 1.087 536 L CA 1.862 56.824 54.840 0.204 0.000 0.757 536 L CB -0.823 41.306 42.059 0.116 0.000 0.896 536 L HN -0.001 nan 8.230 nan 0.000 0.434 537 T N -0.141 114.456 114.554 0.071 0.000 2.720 537 T HA -0.196 4.154 4.350 0.000 0.000 0.268 537 T C 1.905 176.618 174.700 0.021 0.000 1.037 537 T CA 1.987 64.098 62.100 0.019 0.000 1.144 537 T CB -0.331 68.487 68.868 -0.083 0.000 0.864 537 T HN 0.376 nan 8.240 nan 0.000 0.444 538 L N -1.302 119.913 121.223 -0.012 0.000 2.072 538 L HA 0.004 4.344 4.340 0.000 0.000 0.205 538 L C 2.418 179.242 176.870 -0.076 0.000 1.079 538 L CA 1.216 55.999 54.840 -0.094 0.000 0.752 538 L CB -0.586 41.354 42.059 -0.198 0.000 0.906 538 L HN 0.321 nan 8.230 nan 0.000 0.436 539 W N 0.586 121.915 121.300 0.049 0.000 2.392 539 W HA -0.123 4.537 4.660 0.000 0.000 0.279 539 W C 2.447 179.103 176.519 0.228 0.000 1.225 539 W CA 0.512 57.932 57.345 0.125 0.000 1.233 539 W CB -0.412 29.093 29.460 0.075 0.000 1.122 539 W HN 0.177 nan 8.180 nan 0.000 0.561 540 N N 0.210 119.120 118.700 0.351 0.000 2.142 540 N HA -0.144 4.596 4.740 0.000 0.000 0.186 540 N C 1.547 177.117 175.510 0.100 0.000 1.023 540 N CA 1.366 54.543 53.050 0.211 0.000 0.852 540 N CB -0.512 38.056 38.487 0.135 0.000 0.998 540 N HN 0.104 nan 8.380 nan 0.000 0.424 541 E N 0.770 121.006 120.200 0.060 0.000 2.158 541 E HA 0.065 4.415 4.350 0.000 0.000 0.191 541 E C 1.854 178.464 176.600 0.016 0.000 0.982 541 E CA 0.488 56.898 56.400 0.017 0.000 0.823 541 E CB -0.347 29.345 29.700 -0.013 0.000 0.766 541 E HN 0.293 nan 8.360 nan 0.000 0.468 542 A N 2.115 124.946 122.820 0.018 0.000 1.933 542 A HA -0.223 4.097 4.320 0.000 0.000 0.218 542 A C 2.162 179.794 177.584 0.080 0.000 1.175 542 A CA 1.841 53.880 52.037 0.003 0.000 0.628 542 A CB -0.559 18.379 19.000 -0.104 0.000 0.814 542 A HN 0.307 nan 8.150 nan 0.000 0.444 543 R N -0.257 120.335 120.500 0.152 0.000 2.189 543 R HA -0.008 4.332 4.340 0.000 0.000 0.223 543 R C 1.712 178.046 176.300 0.056 0.000 1.092 543 R CA 1.503 57.688 56.100 0.142 0.000 0.989 543 R CB -0.304 30.083 30.300 0.146 0.000 0.876 543 R HN 0.421 nan 8.270 nan 0.000 0.457 544 K N 1.034 121.453 120.400 0.031 0.000 2.076 544 K HA 0.050 4.370 4.320 0.000 0.000 0.204 544 K C 2.101 178.713 176.600 0.019 0.000 1.051 544 K CA 1.157 57.451 56.287 0.012 0.000 0.949 544 K CB -0.075 32.426 32.500 0.001 0.000 0.726 544 K HN 0.153 nan 8.250 nan 0.000 0.443 545 L N 0.445 121.680 121.223 0.020 0.000 2.027 545 L HA -0.103 4.237 4.340 0.000 0.000 0.206 545 L C 1.082 177.969 176.870 0.029 0.000 1.074 545 L CA 0.767 55.618 54.840 0.018 0.000 0.745 545 L CB -0.275 41.788 42.059 0.006 0.000 0.898 545 L HN 0.184 nan 8.230 nan 0.000 0.433 546 N N -0.866 117.860 118.700 0.042 0.000 2.752 546 N HA 0.181 4.921 4.740 0.000 0.000 0.260 546 N C -2.140 173.414 175.510 0.075 0.000 1.562 546 N CA -1.635 51.448 53.050 0.054 0.000 0.788 546 N CB 1.049 39.567 38.487 0.052 0.000 1.192 546 N HN -0.207 nan 8.380 nan 0.000 0.503 547 P HA -0.093 nan 4.420 nan 0.000 0.216 547 P C 0.999 178.347 177.300 0.080 0.000 1.150 547 P CA 1.146 64.289 63.100 0.071 0.000 0.843 547 P CB 0.498 32.224 31.700 0.044 0.000 0.787 548 N N -0.763 117.976 118.700 0.065 0.000 2.058 548 N HA -0.119 4.621 4.740 0.000 0.000 0.191 548 N C 1.713 177.259 175.510 0.061 0.000 1.037 548 N CA 1.802 54.885 53.050 0.054 0.000 0.848 548 N CB -1.063 37.451 38.487 0.045 0.000 1.021 548 N HN 0.049 nan 8.380 nan 0.000 0.422 549 A N 0.093 122.958 122.820 0.076 0.000 1.898 549 A HA 0.044 4.364 4.320 0.000 0.000 0.214 549 A C 2.123 179.797 177.584 0.151 0.000 1.183 549 A CA 0.717 52.807 52.037 0.089 0.000 0.622 549 A CB -0.403 18.646 19.000 0.083 0.000 0.824 549 A HN 0.124 nan 8.150 nan 0.000 0.444 550 I N 0.263 120.952 120.570 0.200 0.000 2.315 550 I HA -0.165 4.005 4.170 0.000 0.000 0.248 550 I C 2.787 179.067 176.117 0.272 0.000 1.117 550 I CA 1.089 62.596 61.300 0.345 0.000 1.404 550 I CB -0.535 37.701 38.000 0.393 0.000 1.071 550 I HN 0.310 nan 8.210 nan 0.000 0.419 551 A N -0.547 122.387 122.820 0.191 0.000 1.855 551 A HA -0.180 4.140 4.320 0.000 0.000 0.215 551 A C 2.506 180.134 177.584 0.073 0.000 1.191 551 A CA 2.132 54.257 52.037 0.146 0.000 0.613 551 A CB -1.022 18.041 19.000 0.106 0.000 0.829 551 A HN 0.379 nan 8.150 nan 0.000 0.442 552 S N -0.403 115.327 115.700 0.050 0.000 2.359 552 S HA -0.158 4.312 4.470 0.000 0.000 0.224 552 S C 1.884 176.481 174.600 -0.004 0.000 1.035 552 S CA 1.414 59.617 58.200 0.005 0.000 1.018 552 S CB -0.628 62.559 63.200 -0.023 0.000 0.876 552 S HN 0.309 nan 8.310 nan 0.000 0.448 553 V N 1.570 121.502 119.914 0.030 0.000 2.380 553 V HA -0.233 3.887 4.120 0.000 0.000 0.251 553 V C 2.500 178.527 176.094 -0.112 0.000 1.063 553 V CA 2.204 64.510 62.300 0.010 0.000 1.055 553 V CB -1.049 30.860 31.823 0.142 0.000 0.657 553 V HN 0.541 nan 8.190 nan 0.000 0.455 554 T N -0.721 113.745 114.554 -0.147 0.000 2.851 554 T HA -0.064 4.286 4.350 0.000 0.000 0.262 554 T C 1.521 176.129 174.700 -0.154 0.000 1.043 554 T CA 1.457 63.400 62.100 -0.262 0.000 1.140 554 T CB 0.017 68.714 68.868 -0.285 0.000 0.872 554 T HN 0.333 nan 8.240 nan 0.000 0.446 555 V N 0.831 120.702 119.914 -0.070 0.000 3.633 555 V HA 0.314 4.434 4.120 0.000 0.000 0.283 555 V C 1.656 177.724 176.094 -0.043 0.000 1.305 555 V CA 0.300 62.573 62.300 -0.044 0.000 1.153 555 V CB -0.971 30.847 31.823 -0.010 0.000 0.950 555 V HN 0.630 nan 8.190 nan 0.000 0.432 556 G N 2.541 111.309 108.800 -0.054 0.000 2.356 556 G HA2 -0.289 3.671 3.960 0.000 0.000 0.296 556 G HA3 -0.289 3.671 3.960 0.000 0.000 0.296 556 G C 0.199 175.080 174.900 -0.032 0.000 1.022 556 G CA 0.925 45.999 45.100 -0.043 0.000 0.961 556 G HN 0.907 nan 8.290 nan 0.000 0.510 557 R N -2.865 117.613 120.500 -0.037 0.000 2.825 557 R HA 0.543 4.883 4.340 0.000 0.000 0.274 557 R C -0.564 175.690 176.300 -0.076 0.000 1.026 557 R CA -1.346 54.727 56.100 -0.046 0.000 0.867 557 R CB 0.645 30.933 30.300 -0.021 0.000 1.268 557 R HN -0.007 nan 8.270 nan 0.000 0.491 558 R N 1.314 121.729 120.500 -0.143 0.000 2.484 558 R HA 0.286 4.626 4.340 0.000 0.000 0.293 558 R C 0.077 176.318 176.300 -0.097 0.000 1.023 558 R CA 0.034 56.003 56.100 -0.218 0.000 1.037 558 R CB 0.623 30.595 30.300 -0.546 0.000 0.951 558 R HN 0.563 nan 8.270 nan 0.000 0.418 559 V N -1.530 118.348 119.914 -0.060 0.000 3.206 559 V HA 0.588 4.708 4.120 0.000 0.000 0.305 559 V C -0.312 175.787 176.094 0.007 0.000 1.257 559 V CA -1.003 61.292 62.300 -0.009 0.000 1.057 559 V CB 2.395 34.222 31.823 0.007 0.000 1.075 559 V HN 0.573 nan 8.190 nan 0.000 0.443 560 S N 0.532 116.248 115.700 0.026 0.000 2.525 560 S HA 0.913 5.383 4.470 0.000 0.000 0.290 560 S C -0.181 174.439 174.600 0.034 0.000 1.152 560 S CA 0.258 58.478 58.200 0.034 0.000 1.072 560 S CB 1.059 64.285 63.200 0.043 0.000 1.027 560 S HN 1.977 nan 8.310 nan 0.000 0.500 561 A N 3.378 126.220 122.820 0.036 0.000 2.475 561 A HA 0.865 5.185 4.320 0.000 0.000 0.301 561 A C -0.684 176.916 177.584 0.027 0.000 1.059 561 A CA -0.881 51.176 52.037 0.033 0.000 0.710 561 A CB 1.494 20.520 19.000 0.044 0.000 1.288 561 A HN 0.891 nan 8.150 nan 0.000 0.408 562 R N 1.806 122.315 120.500 0.016 0.000 2.698 562 R HA 0.610 4.950 4.340 0.000 0.000 0.275 562 R C -1.395 174.901 176.300 -0.007 0.000 1.001 562 R CA -0.763 55.343 56.100 0.009 0.000 0.896 562 R CB 1.215 31.522 30.300 0.012 0.000 1.218 562 R HN 0.611 nan 8.270 nan 0.000 0.462 563 M N 5.025 124.617 119.600 -0.014 0.000 2.120 563 M HA 0.224 4.704 4.480 0.000 0.000 0.354 563 M C -0.270 176.015 176.300 -0.025 0.000 1.287 563 M CA -0.118 55.163 55.300 -0.032 0.000 1.103 563 M CB 0.913 33.490 32.600 -0.038 0.000 1.623 563 M HN 0.596 nan 8.290 nan 0.000 0.471 564 L N 3.687 124.892 121.223 -0.029 0.000 2.923 564 L HA 0.341 4.681 4.340 0.000 0.000 0.231 564 L C 1.113 177.967 176.870 -0.026 0.000 1.300 564 L CA -0.224 54.603 54.840 -0.022 0.000 1.184 564 L CB -0.581 41.468 42.059 -0.017 0.000 1.511 564 L HN 1.097 nan 8.230 nan 0.000 0.448 565 G N 0.547 109.329 108.800 -0.029 0.000 3.076 565 G HA2 -0.279 3.681 3.960 0.000 0.000 0.256 565 G HA3 -0.279 3.681 3.960 0.000 0.000 0.256 565 G C 0.411 175.284 174.900 -0.045 0.000 1.589 565 G CA 0.164 45.246 45.100 -0.030 0.000 1.044 565 G HN 0.349 nan 8.290 nan 0.000 0.563 566 D N 0.937 121.307 120.400 -0.050 0.000 2.366 566 D HA 0.273 4.913 4.640 0.000 0.000 0.205 566 D C 1.763 178.000 176.300 -0.104 0.000 1.022 566 D CA 1.142 55.101 54.000 -0.069 0.000 0.868 566 D CB 0.612 41.383 40.800 -0.049 0.000 0.953 566 D HN 0.803 nan 8.370 nan 0.000 0.514 567 V N -1.865 117.996 119.914 -0.087 0.000 3.561 567 V HA 0.531 4.651 4.120 0.000 0.000 0.290 567 V C 0.112 176.138 176.094 -0.114 0.000 1.052 567 V CA -0.884 61.353 62.300 -0.105 0.000 0.973 567 V CB 1.327 33.115 31.823 -0.058 0.000 1.243 567 V HN -0.197 nan 8.190 nan 0.000 0.432 568 M N 1.386 120.926 119.600 -0.099 0.000 2.259 568 M HA 0.660 5.140 4.480 0.000 0.000 0.304 568 M C -0.329 175.956 176.300 -0.025 0.000 1.019 568 M CA -0.551 54.708 55.300 -0.067 0.000 0.922 568 M CB 1.918 34.475 32.600 -0.073 0.000 1.600 568 M HN 0.974 nan 8.290 nan 0.000 0.433 569 A N 3.115 125.927 122.820 -0.013 0.000 2.401 569 A HA 0.673 4.993 4.320 0.000 0.000 0.259 569 A C -0.142 177.449 177.584 0.011 0.000 1.103 569 A CA -0.488 51.549 52.037 0.001 0.000 0.789 569 A CB 0.258 19.260 19.000 0.003 0.000 1.035 569 A HN 0.782 nan 8.150 nan 0.000 0.491 570 V N -0.459 119.465 119.914 0.016 0.000 3.102 570 V HA 0.986 5.106 4.120 0.000 0.000 0.312 570 V C -0.166 175.942 176.094 0.023 0.000 1.135 570 V CA -0.517 61.797 62.300 0.023 0.000 1.022 570 V CB 1.736 33.576 31.823 0.028 0.000 1.056 570 V HN 0.989 nan 8.190 nan 0.000 0.436 571 S N 0.202 115.918 115.700 0.027 0.000 2.558 571 S HA 0.605 5.075 4.470 0.000 0.000 0.277 571 S C -0.276 174.344 174.600 0.033 0.000 1.143 571 S CA -0.233 57.984 58.200 0.028 0.000 0.865 571 S CB 1.921 65.140 63.200 0.030 0.000 1.102 571 S HN 1.425 nan 8.310 nan 0.000 0.454 572 T N -0.391 114.184 114.554 0.035 0.000 2.748 572 T HA 0.454 4.804 4.350 0.000 0.000 0.304 572 T C 0.262 174.999 174.700 0.062 0.000 1.041 572 T CA -0.313 61.813 62.100 0.043 0.000 1.033 572 T CB -0.046 68.849 68.868 0.046 0.000 0.995 572 T HN 0.610 nan 8.240 nan 0.000 0.536 573 c N 1.140 119.788 118.600 0.079 0.000 2.411 573 c HA 0.643 5.213 4.570 0.000 0.000 0.330 573 c C 0.224 174.430 174.090 0.194 0.000 1.224 573 c CA -0.798 55.612 56.329 0.135 0.000 1.770 573 c CB 1.102 43.685 42.510 0.122 0.000 2.297 573 c HN 0.786 nan 8.230 nan 0.000 0.507 574 V N 5.123 125.161 119.914 0.206 0.000 2.383 574 V HA 0.298 4.418 4.120 0.000 0.000 0.275 574 V C -2.127 174.079 176.094 0.186 0.000 1.036 574 V CA -1.300 61.113 62.300 0.188 0.000 0.889 574 V CB 1.175 33.105 31.823 0.179 0.000 0.985 574 V HN 0.749 nan 8.190 nan 0.000 0.459 575 P HA 0.256 nan 4.420 nan 0.000 0.271 575 P C -0.837 176.425 177.300 -0.063 0.000 1.216 575 P CA -0.041 62.983 63.100 -0.126 0.000 0.776 575 P CB 0.826 32.465 31.700 -0.102 0.000 0.881 576 V N 2.310 122.135 119.914 -0.148 0.000 2.588 576 V HA 0.568 4.688 4.120 0.000 0.000 0.304 576 V C 0.196 176.271 176.094 -0.032 0.000 1.042 576 V CA -1.073 61.201 62.300 -0.045 0.000 0.877 576 V CB 1.707 33.469 31.823 -0.102 0.000 0.996 576 V HN 0.662 nan 8.190 nan 0.000 0.425 577 A N 3.332 126.152 122.820 0.001 0.000 2.440 577 A HA 0.608 4.928 4.320 0.000 0.000 0.251 577 A C 1.516 179.142 177.584 0.070 0.000 1.089 577 A CA 0.430 52.477 52.037 0.015 0.000 0.779 577 A CB 0.614 19.622 19.000 0.012 0.000 1.022 577 A HN 1.477 nan 8.150 nan 0.000 0.492 578 A N 2.094 124.982 122.820 0.115 0.000 2.024 578 A HA -0.158 4.162 4.320 0.000 0.000 0.220 578 A C 1.449 179.074 177.584 0.070 0.000 1.164 578 A CA 1.888 54.057 52.037 0.220 0.000 0.643 578 A CB -0.469 18.602 19.000 0.117 0.000 0.806 578 A HN 0.893 nan 8.150 nan 0.000 0.451 579 D N -1.034 119.383 120.400 0.029 0.000 2.336 579 D HA -0.030 4.610 4.640 0.000 0.000 0.229 579 D C 0.314 176.614 176.300 -0.000 0.000 1.061 579 D CA 0.267 54.274 54.000 0.012 0.000 0.875 579 D CB -0.468 40.339 40.800 0.012 0.000 0.904 579 D HN 0.280 nan 8.370 nan 0.000 0.525 580 N N 0.042 118.734 118.700 -0.014 0.000 2.282 580 N HA 0.139 4.879 4.740 0.000 0.000 0.240 580 N C -1.057 174.429 175.510 -0.040 0.000 1.182 580 N CA -0.071 52.970 53.050 -0.015 0.000 0.874 580 N CB 1.768 40.259 38.487 0.006 0.000 1.126 580 N HN 0.009 nan 8.380 nan 0.000 0.516 581 V N 1.566 121.418 119.914 -0.103 0.000 2.531 581 V HA 0.502 4.623 4.120 0.000 0.000 0.301 581 V C -0.427 175.654 176.094 -0.021 0.000 1.034 581 V CA -0.748 61.454 62.300 -0.163 0.000 0.865 581 V CB 2.135 33.557 31.823 -0.668 0.000 0.995 581 V HN -0.082 nan 8.190 nan 0.000 0.424 582 I N 4.966 125.548 120.570 0.021 0.000 2.362 582 I HA 0.454 4.624 4.170 0.000 0.000 0.289 582 I C -0.102 176.025 176.117 0.017 0.000 0.994 582 I CA -0.488 60.834 61.300 0.037 0.000 1.158 582 I CB 1.880 39.876 38.000 -0.006 0.000 1.315 582 I HN 0.427 nan 8.210 nan 0.000 0.451 583 V N 6.997 126.906 119.914 -0.009 0.000 2.509 583 V HA 0.402 4.522 4.120 0.000 0.000 0.284 583 V C -0.147 175.905 176.094 -0.069 0.000 1.047 583 V CA -0.184 62.050 62.300 -0.110 0.000 0.952 583 V CB 1.365 32.986 31.823 -0.336 0.000 0.988 583 V HN 0.767 nan 8.190 nan 0.000 0.469 584 Q N 4.285 124.073 119.800 -0.021 0.000 2.230 584 Q HA 0.344 4.684 4.340 0.000 0.000 0.253 584 Q C 0.325 176.408 176.000 0.139 0.000 0.919 584 Q CA -0.437 55.371 55.803 0.009 0.000 0.908 584 Q CB 1.349 30.073 28.738 -0.023 0.000 1.245 584 Q HN 0.869 nan 8.270 nan 0.000 0.437 585 N N 0.230 118.991 118.700 0.101 0.000 2.244 585 N HA -0.106 4.634 4.740 0.000 0.000 0.183 585 N C 0.316 176.035 175.510 0.347 0.000 1.016 585 N CA 0.721 53.878 53.050 0.179 0.000 0.866 585 N CB 0.270 38.801 38.487 0.073 0.000 0.980 585 N HN 0.287 nan 8.380 nan 0.000 0.430 586 S N -0.479 115.371 115.700 0.250 0.000 2.489 586 S HA 0.378 4.848 4.470 0.000 0.000 0.291 586 S C 0.458 175.201 174.600 0.237 0.000 1.151 586 S CA -0.612 57.739 58.200 0.251 0.000 1.082 586 S CB 0.701 63.997 63.200 0.160 0.000 1.019 586 S HN 0.072 nan 8.310 nan 0.000 0.492 587 M N 3.605 123.374 119.600 0.281 0.000 2.371 587 M HA 0.210 4.690 4.480 0.000 0.000 0.246 587 M C 0.388 176.844 176.300 0.260 0.000 1.103 587 M CA 0.011 55.478 55.300 0.279 0.000 1.010 587 M CB 0.250 33.011 32.600 0.267 0.000 1.457 587 M HN 0.448 nan 8.290 nan 0.000 0.486 588 R N 1.437 122.015 120.500 0.129 0.000 2.441 588 R HA 0.404 4.744 4.340 0.000 0.000 0.284 588 R C -0.365 175.932 176.300 -0.006 0.000 1.070 588 R CA -0.114 55.950 56.100 -0.061 0.000 1.047 588 R CB 0.965 31.219 30.300 -0.077 0.000 1.016 588 R HN 0.206 nan 8.270 nan 0.000 0.477 589 I N 2.015 122.480 120.570 -0.174 0.000 2.291 589 I HA -0.035 4.135 4.170 0.000 0.000 0.292 589 I C 1.649 177.714 176.117 -0.087 0.000 1.064 589 I CA 0.050 61.240 61.300 -0.183 0.000 1.269 589 I CB 1.429 39.182 38.000 -0.411 0.000 1.418 589 I HN 0.748 nan 8.210 nan 0.000 0.485 590 S N 4.235 119.930 115.700 -0.007 0.000 2.365 590 S HA -0.199 4.271 4.470 0.000 0.000 0.225 590 S C 2.134 176.717 174.600 -0.029 0.000 1.039 590 S CA 2.386 60.580 58.200 -0.010 0.000 1.033 590 S CB 0.030 63.241 63.200 0.018 0.000 0.887 590 S HN 0.851 nan 8.310 nan 0.000 0.447 591 S N 2.856 118.539 115.700 -0.028 0.000 2.344 591 S HA -0.098 4.372 4.470 0.000 0.000 0.217 591 S C 0.943 175.509 174.600 -0.056 0.000 1.033 591 S CA 0.492 58.671 58.200 -0.035 0.000 1.017 591 S CB -0.756 62.429 63.200 -0.025 0.000 0.941 591 S HN 0.752 nan 8.310 nan 0.000 0.430 592 R N 2.679 123.127 120.500 -0.086 0.000 2.254 592 R HA 0.549 4.889 4.340 0.000 0.000 0.318 592 R C -3.329 172.902 176.300 -0.115 0.000 1.031 592 R CA -1.967 54.074 56.100 -0.099 0.000 0.905 592 R CB -0.167 30.062 30.300 -0.117 0.000 1.050 592 R HN 0.168 nan 8.270 nan 0.000 0.456 593 P HA 0.175 nan 4.420 nan 0.000 0.285 593 P C 0.637 177.869 177.300 -0.114 0.000 1.259 593 P CA 0.345 63.386 63.100 -0.099 0.000 0.794 593 P CB 1.550 33.208 31.700 -0.070 0.000 0.940 594 G N 1.972 110.689 108.800 -0.139 0.000 2.417 594 G HA2 -0.250 3.710 3.960 0.000 0.000 0.233 594 G HA3 -0.250 3.710 3.960 0.000 0.000 0.233 594 G C 0.498 175.285 174.900 -0.188 0.000 1.103 594 G CA 0.101 45.114 45.100 -0.146 0.000 0.647 594 G HN 0.856 nan 8.290 nan 0.000 0.512 595 A N -0.337 122.371 122.820 -0.188 0.000 2.386 595 A HA 0.618 4.938 4.320 0.000 0.000 0.248 595 A C 0.528 177.924 177.584 -0.314 0.000 1.082 595 A CA 0.976 52.880 52.037 -0.221 0.000 0.789 595 A CB 0.507 19.385 19.000 -0.203 0.000 1.025 595 A HN 1.357 nan 8.150 nan 0.000 0.490 596 c N -0.746 117.656 118.600 -0.330 0.000 3.171 596 c HA 0.550 5.120 4.570 0.000 0.000 0.308 596 c C -0.796 173.121 174.090 -0.289 0.000 1.334 596 c CA -0.754 55.353 56.329 -0.370 0.000 1.473 596 c CB 1.010 43.216 42.510 -0.506 0.000 1.866 596 c HN 0.802 nan 8.230 nan 0.000 0.465 597 Y N 1.279 121.556 120.300 -0.039 0.000 2.377 597 Y HA 0.181 4.731 4.550 0.000 0.000 0.330 597 Y C 1.774 177.694 175.900 0.033 0.000 1.108 597 Y CA 0.370 58.456 58.100 -0.023 0.000 1.308 597 Y CB 0.927 39.349 38.460 -0.062 0.000 1.216 597 Y HN 0.842 nan 8.280 nan 0.000 0.518 598 S N 2.706 118.507 115.700 0.169 0.000 2.446 598 S HA 0.150 4.620 4.470 0.000 0.000 0.225 598 S C 0.516 175.167 174.600 0.084 0.000 1.016 598 S CA 0.172 58.470 58.200 0.163 0.000 0.943 598 S CB 0.167 63.449 63.200 0.137 0.000 0.786 598 S HN 0.574 nan 8.310 nan 0.000 0.508 599 R N 1.196 121.638 120.500 -0.096 0.000 2.803 599 R HA 0.542 4.882 4.340 0.000 0.000 0.276 599 R C -3.228 172.754 176.300 -0.530 0.000 0.978 599 R CA -2.564 53.223 56.100 -0.522 0.000 0.939 599 R CB 0.858 30.918 30.300 -0.401 0.000 1.179 599 R HN 0.098 nan 8.270 nan 0.000 0.472 600 P HA 0.046 nan 4.420 nan 0.000 0.270 600 P C -0.411 176.651 177.300 -0.397 0.000 1.223 600 P CA -0.017 62.710 63.100 -0.622 0.000 0.785 600 P CB 0.526 31.855 31.700 -0.619 0.000 0.923 601 L N 1.071 122.095 121.223 -0.332 0.000 2.399 601 L HA 0.561 4.901 4.340 0.000 0.000 0.266 601 L C 0.304 177.078 176.870 -0.160 0.000 1.114 601 L CA -0.623 54.040 54.840 -0.295 0.000 0.804 601 L CB 0.958 42.815 42.059 -0.336 0.000 1.146 601 L HN 0.197 nan 8.230 nan 0.000 0.451 602 V N -1.402 118.452 119.914 -0.100 0.000 3.114 602 V HA 0.723 4.843 4.120 0.000 0.000 0.308 602 V C -0.538 175.574 176.094 0.030 0.000 1.168 602 V CA -0.572 61.716 62.300 -0.020 0.000 1.015 602 V CB 1.928 33.761 31.823 0.017 0.000 1.050 602 V HN 0.710 nan 8.190 nan 0.000 0.433 603 S N 2.209 117.927 115.700 0.031 0.000 2.536 603 S HA 1.015 5.485 4.470 0.000 0.000 0.298 603 S C -0.894 173.735 174.600 0.048 0.000 1.083 603 S CA -0.507 57.668 58.200 -0.042 0.000 0.995 603 S CB 1.576 64.719 63.200 -0.095 0.000 1.058 603 S HN 1.500 nan 8.310 nan 0.000 0.488 604 F N -0.838 119.008 119.950 -0.174 0.000 2.719 604 F HA 0.756 5.283 4.527 0.000 0.000 0.309 604 F C -1.205 174.452 175.800 -0.238 0.000 1.138 604 F CA -1.382 56.489 58.000 -0.216 0.000 0.943 604 F CB 1.146 39.977 39.000 -0.281 0.000 1.304 604 F HN 0.577 nan 8.300 nan 0.000 0.445 605 R N 0.619 121.075 120.500 -0.072 0.000 2.740 605 R HA 0.519 4.859 4.340 0.000 0.000 0.282 605 R C -0.957 175.330 176.300 -0.022 0.000 0.969 605 R CA -0.875 55.147 56.100 -0.131 0.000 0.918 605 R CB 1.560 31.825 30.300 -0.060 0.000 1.175 605 R HN 0.850 nan 8.270 nan 0.000 0.464 606 Y N 0.030 120.397 120.300 0.111 0.000 2.243 606 Y HA 0.009 4.559 4.550 0.000 0.000 0.293 606 Y C 1.522 177.457 175.900 0.059 0.000 1.124 606 Y CA 1.649 59.815 58.100 0.110 0.000 1.159 606 Y CB 0.190 38.705 38.460 0.092 0.000 1.008 606 Y HN 0.838 nan 8.280 nan 0.000 0.527 607 E N 0.308 120.627 120.200 0.198 0.000 2.235 607 E HA 0.250 4.600 4.350 0.000 0.000 0.265 607 E C -0.086 176.553 176.600 0.066 0.000 0.940 607 E CA -0.157 56.309 56.400 0.110 0.000 0.819 607 E CB 0.403 30.158 29.700 0.090 0.000 1.206 607 E HN 0.170 nan 8.360 nan 0.000 0.409 608 D N 0.142 120.569 120.400 0.045 0.000 2.104 608 D HA -0.151 4.489 4.640 0.000 0.000 0.194 608 D C 1.705 178.017 176.300 0.020 0.000 0.994 608 D CA 2.110 56.126 54.000 0.027 0.000 0.830 608 D CB 0.244 41.056 40.800 0.021 0.000 0.959 608 D HN 0.587 nan 8.370 nan 0.000 0.452 609 Q N -0.229 119.584 119.800 0.022 0.000 2.408 609 Q HA 0.215 4.555 4.340 0.000 0.000 0.205 609 Q C 1.007 177.017 176.000 0.017 0.000 0.919 609 Q CA 0.053 55.865 55.803 0.015 0.000 0.932 609 Q CB 0.711 29.456 28.738 0.013 0.000 1.058 609 Q HN 0.145 nan 8.270 nan 0.000 0.517 610 G N 2.531 111.351 108.800 0.033 0.000 2.647 610 G HA2 0.107 4.067 3.960 0.000 0.000 0.234 610 G HA3 0.107 4.067 3.960 0.000 0.000 0.234 610 G C -2.455 172.458 174.900 0.021 0.000 1.252 610 G CA -0.832 44.296 45.100 0.045 0.000 0.846 610 G HN -0.014 nan 8.290 nan 0.000 0.589 611 P HA 0.132 nan 4.420 nan 0.000 0.270 611 P C -0.135 177.123 177.300 -0.071 0.000 1.223 611 P CA -0.558 62.529 63.100 -0.021 0.000 0.785 611 P CB 0.608 32.301 31.700 -0.011 0.000 0.923 612 L N 2.603 123.757 121.223 -0.114 0.000 2.350 612 L HA 0.364 4.704 4.340 0.000 0.000 0.275 612 L C -0.777 175.907 176.870 -0.309 0.000 1.099 612 L CA -0.101 54.616 54.840 -0.205 0.000 0.808 612 L CB 0.976 42.942 42.059 -0.154 0.000 1.149 612 L HN 0.058 nan 8.230 nan 0.000 0.442 613 V N 3.872 123.428 119.914 -0.597 0.000 2.680 613 V HA 0.444 4.564 4.120 0.000 0.000 0.309 613 V C -0.338 175.310 176.094 -0.744 0.000 1.052 613 V CA -0.899 60.968 62.300 -0.721 0.000 0.908 613 V CB 1.886 33.100 31.823 -1.015 0.000 1.001 613 V HN 0.757 nan 8.190 nan 0.000 0.431 614 E N 1.614 121.589 120.200 -0.376 0.000 2.313 614 E HA 0.685 5.035 4.350 0.000 0.000 0.272 614 E C 0.194 176.764 176.600 -0.050 0.000 1.038 614 E CA -0.084 56.201 56.400 -0.192 0.000 0.863 614 E CB 1.898 31.531 29.700 -0.112 0.000 1.060 614 E HN 0.919 nan 8.360 nan 0.000 0.402 615 G N 0.940 109.782 108.800 0.070 0.000 2.634 615 G HA2 0.284 4.244 3.960 0.000 0.000 0.309 615 G HA3 0.284 4.244 3.960 0.000 0.000 0.309 615 G C -1.639 173.264 174.900 0.006 0.000 1.299 615 G CA -0.535 44.646 45.100 0.135 0.000 0.798 615 G HN 0.425 nan 8.290 nan 0.000 0.490 616 Q N -0.840 118.953 119.800 -0.011 0.000 2.387 616 Q HA 0.621 4.961 4.340 0.000 0.000 0.273 616 Q C -1.312 174.649 176.000 -0.065 0.000 1.089 616 Q CA -0.890 54.857 55.803 -0.094 0.000 0.824 616 Q CB 2.509 31.186 28.738 -0.102 0.000 1.367 616 Q HN 0.513 nan 8.270 nan 0.000 0.443 617 L N 2.481 123.634 121.223 -0.117 0.000 2.361 617 L HA 0.464 4.804 4.340 0.000 0.000 0.278 617 L C 0.059 176.906 176.870 -0.037 0.000 1.113 617 L CA 0.765 55.568 54.840 -0.061 0.000 0.849 617 L CB 0.651 42.643 42.059 -0.113 0.000 1.155 617 L HN 0.700 nan 8.230 nan 0.000 0.452 618 G N 4.094 112.921 108.800 0.044 0.000 2.583 618 G HA2 0.328 4.288 3.960 0.000 0.000 0.280 618 G HA3 0.328 4.288 3.960 0.000 0.000 0.280 618 G C -0.621 174.346 174.900 0.113 0.000 1.376 618 G CA -0.635 44.504 45.100 0.065 0.000 1.043 618 G HN 0.645 nan 8.290 nan 0.000 0.538 619 E N -0.275 119.993 120.200 0.114 0.000 2.349 619 E HA 0.140 4.490 4.350 0.000 0.000 0.265 619 E C -0.261 176.411 176.600 0.119 0.000 1.064 619 E CA -0.027 56.452 56.400 0.133 0.000 0.886 619 E CB 0.600 30.366 29.700 0.111 0.000 1.036 619 E HN 0.500 nan 8.360 nan 0.000 0.413 620 N N 2.215 120.985 118.700 0.117 0.000 2.725 620 N HA -0.221 4.520 4.740 0.000 0.000 0.249 620 N C -0.891 174.673 175.510 0.090 0.000 1.103 620 N CA 0.616 53.712 53.050 0.077 0.000 0.707 620 N CB -0.932 37.579 38.487 0.040 0.000 1.043 620 N HN 0.568 nan 8.380 nan 0.000 0.553 621 N N -1.312 117.469 118.700 0.135 0.000 2.747 621 N HA -0.223 4.517 4.740 0.000 0.000 0.249 621 N C -0.183 175.507 175.510 0.301 0.000 1.107 621 N CA 1.416 54.580 53.050 0.191 0.000 0.707 621 N CB -0.897 37.435 38.487 -0.258 0.000 1.054 621 N HN 0.815 nan 8.380 nan 0.000 0.555 622 E N 0.715 121.043 120.200 0.213 0.000 2.373 622 E HA 0.220 4.570 4.350 0.000 0.000 0.267 622 E C -0.238 176.429 176.600 0.113 0.000 1.032 622 E CA -0.148 56.353 56.400 0.167 0.000 0.889 622 E CB 0.559 30.323 29.700 0.108 0.000 0.984 622 E HN 0.238 nan 8.360 nan 0.000 0.425 623 L N 5.439 126.660 121.223 -0.002 0.000 2.277 623 L HA 0.408 4.748 4.340 0.000 0.000 0.284 623 L C 0.162 176.997 176.870 -0.058 0.000 1.028 623 L CA -0.543 54.193 54.840 -0.175 0.000 0.835 623 L CB 1.053 42.684 42.059 -0.714 0.000 1.215 623 L HN 0.452 nan 8.230 nan 0.000 0.425 624 R N 3.932 124.439 120.500 0.012 0.000 2.265 624 R HA 0.279 4.619 4.340 0.000 0.000 0.314 624 R C 0.686 177.048 176.300 0.103 0.000 1.053 624 R CA -0.461 55.674 56.100 0.058 0.000 0.931 624 R CB 1.263 31.589 30.300 0.043 0.000 1.024 624 R HN 0.661 nan 8.270 nan 0.000 0.457 625 L N 1.588 122.889 121.223 0.130 0.000 2.610 625 L HA 0.032 4.372 4.340 0.000 0.000 0.232 625 L C 0.154 177.078 176.870 0.089 0.000 1.149 625 L CA 0.713 55.642 54.840 0.149 0.000 0.872 625 L CB -0.244 41.913 42.059 0.163 0.000 0.992 625 L HN 0.563 nan 8.230 nan 0.000 0.447 626 T N -0.555 114.042 114.554 0.072 0.000 2.833 626 T HA 0.328 4.678 4.350 0.000 0.000 0.297 626 T C 0.313 175.048 174.700 0.057 0.000 1.015 626 T CA -0.605 61.530 62.100 0.059 0.000 0.963 626 T CB 1.281 70.183 68.868 0.057 0.000 0.955 626 T HN 0.087 nan 8.240 nan 0.000 0.449 627 R N 2.500 123.037 120.500 0.062 0.000 4.556 627 R HA 0.156 4.496 4.340 0.000 0.000 0.197 627 R C 0.071 176.476 176.300 0.175 0.000 1.791 627 R CA -0.130 56.030 56.100 0.099 0.000 1.526 627 R CB -0.477 29.871 30.300 0.081 0.000 1.410 627 R HN 0.711 nan 8.270 nan 0.000 0.826 628 D N -1.034 119.435 120.400 0.115 0.000 2.440 628 D HA 0.045 4.685 4.640 0.000 0.000 0.216 628 D C 0.127 176.476 176.300 0.081 0.000 1.150 628 D CA -0.388 53.666 54.000 0.089 0.000 0.832 628 D CB 0.698 41.532 40.800 0.057 0.000 0.992 628 D HN 0.137 nan 8.370 nan 0.000 0.502 629 A N 1.147 124.035 122.820 0.113 0.000 2.650 629 A HA 0.568 4.888 4.320 0.000 0.000 0.320 629 A C -0.310 177.337 177.584 0.104 0.000 1.466 629 A CA -0.430 51.662 52.037 0.092 0.000 1.099 629 A CB -0.548 18.497 19.000 0.074 0.000 1.136 629 A HN 0.364 nan 8.150 nan 0.000 0.532 630 I N 1.514 122.107 120.570 0.038 0.000 2.689 630 I HA 0.534 4.704 4.170 0.000 0.000 0.299 630 I C -0.294 175.805 176.117 -0.031 0.000 1.059 630 I CA -0.543 60.735 61.300 -0.037 0.000 1.055 630 I CB 2.515 40.444 38.000 -0.118 0.000 1.243 630 I HN 0.815 nan 8.210 nan 0.000 0.425 631 E N 4.800 124.965 120.200 -0.058 0.000 2.375 631 E HA 0.472 4.822 4.350 0.000 0.000 0.280 631 E C -2.966 173.582 176.600 -0.088 0.000 0.972 631 E CA -2.171 54.206 56.400 -0.038 0.000 0.782 631 E CB 2.028 31.741 29.700 0.021 0.000 1.229 631 E HN 0.066 nan 8.360 nan 0.000 0.439 632 P HA -0.076 nan 4.420 nan 0.000 0.264 632 P C -0.253 176.975 177.300 -0.120 0.000 1.179 632 P CA -0.119 62.922 63.100 -0.099 0.000 0.763 632 P CB 0.354 32.020 31.700 -0.056 0.000 0.806 633 c N 3.207 121.688 118.600 -0.199 0.000 2.634 633 c HA 0.099 4.669 4.570 0.000 0.000 0.418 633 c C 0.917 174.983 174.090 -0.041 0.000 1.373 633 c CA 0.586 56.757 56.329 -0.264 0.000 1.756 633 c CB -1.070 41.224 42.510 -0.360 0.000 2.589 633 c HN 0.510 nan 8.230 nan 0.000 0.602 634 T N 3.957 118.573 114.554 0.104 0.000 2.767 634 T HA 0.323 4.673 4.350 0.000 0.000 0.284 634 T C 0.051 174.874 174.700 0.205 0.000 0.973 634 T CA -0.387 61.788 62.100 0.125 0.000 0.996 634 T CB 0.929 69.894 68.868 0.161 0.000 0.927 634 T HN 0.460 nan 8.240 nan 0.000 0.456 635 V N 2.925 122.919 119.914 0.133 0.000 2.655 635 V HA 0.388 4.508 4.120 0.000 0.000 0.300 635 V C 1.338 177.507 176.094 0.125 0.000 1.044 635 V CA 0.157 62.529 62.300 0.119 0.000 1.095 635 V CB 0.348 32.213 31.823 0.071 0.000 0.952 635 V HN 1.221 nan 8.190 nan 0.000 0.485 636 G N 3.444 112.314 108.800 0.116 0.000 2.354 636 G HA2 -0.274 3.686 3.960 0.000 0.000 0.278 636 G HA3 -0.274 3.686 3.960 0.000 0.000 0.278 636 G C -0.255 174.692 174.900 0.077 0.000 0.953 636 G CA 0.553 45.701 45.100 0.081 0.000 1.346 636 G HN 1.321 nan 8.290 nan 0.000 0.467 637 H N 1.264 120.289 119.070 -0.075 0.000 2.638 637 H HA 0.609 5.165 4.556 0.000 0.000 0.303 637 H C 0.802 175.959 175.328 -0.284 0.000 1.034 637 H CA -0.878 55.053 56.048 -0.195 0.000 1.225 637 H CB 0.528 30.079 29.762 -0.351 0.000 1.394 637 H HN 0.698 nan 8.280 nan 0.000 0.477 638 R N 4.126 124.337 120.500 -0.483 0.000 2.532 638 R HA 0.718 5.058 4.340 0.000 0.000 0.295 638 R C -0.758 175.126 176.300 -0.693 0.000 0.968 638 R CA -1.223 54.561 56.100 -0.528 0.000 0.916 638 R CB 1.817 31.959 30.300 -0.263 0.000 1.124 638 R HN 0.370 nan 8.270 nan 0.000 0.463 639 R N 2.253 122.246 120.500 -0.845 0.000 2.566 639 R HA 0.271 4.611 4.340 0.000 0.000 0.271 639 R C -1.551 174.164 176.300 -0.975 0.000 1.071 639 R CA -0.879 54.710 56.100 -0.850 0.000 0.915 639 R CB 1.742 31.546 30.300 -0.826 0.000 1.228 639 R HN 0.636 nan 8.270 nan 0.000 0.449 640 Y N 1.739 121.632 120.300 -0.679 0.000 2.352 640 Y HA 0.554 5.104 4.550 0.000 0.000 0.339 640 Y C -0.121 175.400 175.900 -0.632 0.000 0.992 640 Y CA -0.608 57.197 58.100 -0.492 0.000 1.100 640 Y CB 1.517 39.690 38.460 -0.477 0.000 1.192 640 Y HN 0.374 nan 8.280 nan 0.000 0.458 641 F N 0.349 120.483 119.950 0.306 0.000 2.551 641 F HA 0.417 4.944 4.527 0.000 0.000 0.316 641 F C 0.145 176.287 175.800 0.570 0.000 1.089 641 F CA -1.243 56.965 58.000 0.346 0.000 0.915 641 F CB 1.918 41.048 39.000 0.217 0.000 1.186 641 F HN 0.304 nan 8.300 nan 0.000 0.456 642 T N 3.211 118.168 114.554 0.671 0.000 2.902 642 T HA 0.184 4.534 4.350 0.000 0.000 0.301 642 T C -1.072 173.905 174.700 0.462 0.000 1.012 642 T CA 0.508 62.852 62.100 0.407 0.000 1.151 642 T CB -0.074 68.944 68.868 0.250 0.000 0.946 642 T HN 0.396 nan 8.240 nan 0.000 0.542 643 F N 2.711 122.742 119.950 0.136 0.000 2.991 643 F HA 0.485 5.012 4.527 0.000 0.000 0.355 643 F C 0.519 176.377 175.800 0.097 0.000 1.262 643 F CA 0.171 58.306 58.000 0.226 0.000 1.127 643 F CB 0.238 39.442 39.000 0.339 0.000 1.447 643 F HN 0.919 nan 8.300 nan 0.000 0.584 644 G N 3.734 112.234 108.800 -0.499 0.000 2.574 644 G HA2 -0.208 3.752 3.960 0.000 0.000 0.286 644 G HA3 -0.208 3.752 3.960 0.000 0.000 0.286 644 G C 0.954 175.659 174.900 -0.325 0.000 1.212 644 G CA 0.110 44.880 45.100 -0.550 0.000 0.979 644 G HN 1.668 nan 8.290 nan 0.000 0.557 645 G N 0.614 109.281 108.800 -0.220 0.000 3.088 645 G HA2 0.607 4.567 3.960 0.000 0.000 0.212 645 G HA3 0.607 4.567 3.960 0.000 0.000 0.212 645 G C 0.705 175.510 174.900 -0.158 0.000 1.173 645 G CA 1.406 46.406 45.100 -0.166 0.000 0.779 645 G HN 1.644 nan 8.290 nan 0.000 0.540 646 G N -1.057 107.656 108.800 -0.145 0.000 3.195 646 G HA2 0.590 4.550 3.960 0.000 0.000 0.217 646 G HA3 0.590 4.550 3.960 0.000 0.000 0.217 646 G C -1.638 173.149 174.900 -0.188 0.000 1.166 646 G CA -0.934 44.085 45.100 -0.135 0.000 0.812 646 G HN 0.066 nan 8.290 nan 0.000 0.617 647 Y N -1.740 118.686 120.300 0.211 0.000 2.536 647 Y HA 0.583 5.133 4.550 0.000 0.000 0.347 647 Y C -0.249 175.825 175.900 0.290 0.000 1.000 647 Y CA -0.917 57.344 58.100 0.268 0.000 1.051 647 Y CB 2.713 41.308 38.460 0.226 0.000 1.259 647 Y HN 0.360 nan 8.280 nan 0.000 0.468 648 V N 3.854 124.083 119.914 0.526 0.000 2.459 648 V HA 0.418 4.538 4.120 0.000 0.000 0.295 648 V C -1.828 174.368 176.094 0.170 0.000 1.029 648 V CA -0.643 61.836 62.300 0.298 0.000 0.874 648 V CB 1.225 33.221 31.823 0.287 0.000 0.985 648 V HN 0.685 nan 8.190 nan 0.000 0.438 649 Y N 6.919 126.995 120.300 -0.373 0.000 2.328 649 Y HA 0.667 5.217 4.550 0.000 0.000 0.337 649 Y C -1.072 174.504 175.900 -0.539 0.000 0.966 649 Y CA -0.877 56.920 58.100 -0.504 0.000 1.136 649 Y CB 1.292 39.299 38.460 -0.755 0.000 1.170 649 Y HN 0.622 nan 8.280 nan 0.000 0.470 650 F N 3.904 123.330 119.950 -0.873 0.000 2.458 650 F HA 0.484 5.011 4.527 0.000 0.000 0.330 650 F C -0.089 175.189 175.800 -0.870 0.000 1.082 650 F CA -0.647 56.988 58.000 -0.608 0.000 0.995 650 F CB 1.696 40.558 39.000 -0.230 0.000 1.170 650 F HN 0.430 nan 8.300 nan 0.000 0.478 651 E N 1.273 121.295 120.200 -0.296 0.000 2.246 651 E HA 0.245 4.595 4.350 0.000 0.000 0.266 651 E C -0.678 175.907 176.600 -0.025 0.000 0.880 651 E CA -0.469 55.800 56.400 -0.218 0.000 0.762 651 E CB 1.356 31.008 29.700 -0.080 0.000 1.180 651 E HN 0.673 nan 8.360 nan 0.000 0.416 652 E N 2.070 122.256 120.200 -0.023 0.000 2.660 652 E HA -0.301 4.049 4.350 0.000 0.000 0.260 652 E C -0.911 175.883 176.600 0.324 0.000 1.122 652 E CA 1.009 57.490 56.400 0.135 0.000 0.755 652 E CB -1.120 28.672 29.700 0.152 0.000 1.345 652 E HN 0.741 nan 8.360 nan 0.000 0.421 653 Y N -5.056 115.357 120.300 0.189 0.000 4.883 653 Y HA -0.260 4.290 4.550 0.000 0.000 0.252 653 Y C 0.097 176.185 175.900 0.314 0.000 0.990 653 Y CA 0.425 58.650 58.100 0.208 0.000 2.028 653 Y CB -1.689 36.829 38.460 0.097 0.000 1.513 653 Y HN 0.341 nan 8.280 nan 0.000 0.645 654 A N -0.394 122.671 122.820 0.408 0.000 2.356 654 A HA 0.629 4.949 4.320 0.000 0.000 0.310 654 A C -0.671 176.961 177.584 0.080 0.000 1.075 654 A CA -0.787 51.444 52.037 0.324 0.000 0.746 654 A CB 0.625 19.738 19.000 0.188 0.000 1.221 654 A HN 0.297 nan 8.150 nan 0.000 0.443 655 Y N 2.318 122.414 120.300 -0.340 0.000 2.903 655 Y HA 0.119 4.669 4.550 0.000 0.000 0.338 655 Y C 1.401 177.085 175.900 -0.360 0.000 1.265 655 Y CA 1.918 59.490 58.100 -0.879 0.000 1.532 655 Y CB 0.837 38.935 38.460 -0.603 0.000 1.293 655 Y HN 0.751 nan 8.280 nan 0.000 0.609 656 S N 3.473 118.572 115.700 -1.002 0.000 3.066 656 S HA 0.190 4.660 4.470 0.000 0.000 0.235 656 S C -0.555 173.790 174.600 -0.425 0.000 0.995 656 S CA 0.564 58.534 58.200 -0.385 0.000 0.835 656 S CB -0.094 63.154 63.200 0.081 0.000 0.814 656 S HN 0.954 nan 8.310 nan 0.000 0.594 657 H N -0.197 118.374 119.070 -0.831 0.000 2.950 657 H HA 0.478 5.034 4.556 0.000 0.000 0.307 657 H C -1.811 173.402 175.328 -0.191 0.000 1.403 657 H CA -0.799 55.022 56.048 -0.378 0.000 1.145 657 H CB 0.251 29.962 29.762 -0.084 0.000 1.844 657 H HN 0.374 nan 8.280 nan 0.000 0.515 658 Q N 0.605 120.474 119.800 0.115 0.000 2.248 658 Q HA 0.586 4.926 4.340 0.000 0.000 0.263 658 Q C -0.750 175.375 176.000 0.209 0.000 1.007 658 Q CA -1.073 54.832 55.803 0.169 0.000 0.877 658 Q CB 2.329 31.275 28.738 0.347 0.000 1.315 658 Q HN 0.330 nan 8.270 nan 0.000 0.454 659 L N -0.542 120.816 121.223 0.225 0.000 2.257 659 L HA 0.568 4.908 4.340 0.000 0.000 0.257 659 L C -0.216 176.769 176.870 0.192 0.000 1.033 659 L CA -0.698 54.282 54.840 0.233 0.000 0.835 659 L CB 1.461 43.681 42.059 0.268 0.000 1.398 659 L HN 0.466 nan 8.230 nan 0.000 0.429 660 S N -0.685 115.104 115.700 0.148 0.000 2.578 660 S HA 0.369 4.839 4.470 0.000 0.000 0.283 660 S C 1.025 175.686 174.600 0.102 0.000 1.195 660 S CA -0.491 57.763 58.200 0.089 0.000 1.050 660 S CB 0.878 64.116 63.200 0.062 0.000 1.012 660 S HN 0.590 nan 8.310 nan 0.000 0.511 661 R N 2.067 122.576 120.500 0.016 0.000 2.316 661 R HA -0.132 4.208 4.340 0.000 0.000 0.232 661 R C 1.614 177.962 176.300 0.079 0.000 1.137 661 R CA 1.201 57.318 56.100 0.028 0.000 1.012 661 R CB -0.595 29.654 30.300 -0.084 0.000 0.859 661 R HN 0.695 nan 8.270 nan 0.000 0.474 662 A N 0.138 122.993 122.820 0.058 0.000 2.238 662 A HA -0.031 4.289 4.320 0.000 0.000 0.208 662 A C 1.054 178.666 177.584 0.047 0.000 1.177 662 A CA 0.537 52.600 52.037 0.044 0.000 0.804 662 A CB 0.152 19.171 19.000 0.031 0.000 0.823 662 A HN 0.126 nan 8.150 nan 0.000 0.482 663 D N -0.540 119.902 120.400 0.070 0.000 2.327 663 D HA 0.123 4.763 4.640 0.000 0.000 0.205 663 D C -0.043 176.266 176.300 0.015 0.000 0.989 663 D CA 0.462 54.493 54.000 0.051 0.000 0.873 663 D CB 0.277 41.123 40.800 0.078 0.000 0.955 663 D HN 0.332 nan 8.370 nan 0.000 0.515 664 I N 0.847 121.427 120.570 0.016 0.000 2.428 664 I HA 0.050 4.220 4.170 0.000 0.000 0.296 664 I C 0.538 176.631 176.117 -0.039 0.000 0.985 664 I CA -0.310 60.958 61.300 -0.054 0.000 1.260 664 I CB 1.481 39.404 38.000 -0.129 0.000 1.389 664 I HN -0.340 nan 8.210 nan 0.000 0.484 665 T N 4.668 119.183 114.554 -0.064 0.000 2.792 665 T HA 0.065 4.415 4.350 0.000 0.000 0.286 665 T C 0.253 174.921 174.700 -0.052 0.000 0.970 665 T CA 0.126 62.195 62.100 -0.052 0.000 1.187 665 T CB -0.430 68.402 68.868 -0.060 0.000 0.915 665 T HN 0.569 nan 8.240 nan 0.000 0.529 666 T N 4.064 118.597 114.554 -0.035 0.000 2.845 666 T HA 0.533 4.883 4.350 0.000 0.000 0.288 666 T C 0.490 175.157 174.700 -0.055 0.000 0.980 666 T CA -0.750 61.327 62.100 -0.039 0.000 1.071 666 T CB 0.883 69.738 68.868 -0.023 0.000 0.941 666 T HN 0.551 nan 8.240 nan 0.000 0.487 667 V N 0.193 120.060 119.914 -0.079 0.000 3.113 667 V HA 0.957 5.077 4.120 0.000 0.000 0.316 667 V C -0.317 175.684 176.094 -0.156 0.000 1.125 667 V CA -0.932 61.311 62.300 -0.094 0.000 1.026 667 V CB 2.119 33.891 31.823 -0.085 0.000 1.080 667 V HN 0.759 nan 8.190 nan 0.000 0.444 668 S N -0.237 115.356 115.700 -0.179 0.000 2.557 668 S HA 0.535 5.005 4.470 0.000 0.000 0.291 668 S C 0.662 175.085 174.600 -0.296 0.000 1.116 668 S CA 0.166 58.165 58.200 -0.334 0.000 0.992 668 S CB 1.742 64.795 63.200 -0.245 0.000 1.028 668 S HN 1.369 nan 8.310 nan 0.000 0.484 669 T N 1.672 115.955 114.554 -0.452 0.000 3.100 669 T HA 0.286 4.636 4.350 0.000 0.000 0.253 669 T C 0.239 174.931 174.700 -0.013 0.000 1.118 669 T CA 0.154 62.129 62.100 -0.208 0.000 1.058 669 T CB -0.501 68.268 68.868 -0.165 0.000 0.953 669 T HN 0.389 nan 8.240 nan 0.000 0.515 670 F N 2.235 122.194 119.950 0.015 0.000 2.456 670 F HA 0.408 4.935 4.527 0.000 0.000 0.358 670 F C 0.768 176.581 175.800 0.022 0.000 1.095 670 F CA -2.880 55.133 58.000 0.023 0.000 1.216 670 F CB 0.100 39.114 39.000 0.025 0.000 1.125 670 F HN 0.044 nan 8.300 nan 0.000 0.549 671 I N 3.893 124.597 120.570 0.224 0.000 2.322 671 I HA 0.100 4.270 4.170 0.000 0.000 0.292 671 I C 0.090 176.276 176.117 0.115 0.000 1.060 671 I CA -0.619 60.761 61.300 0.133 0.000 1.309 671 I CB 0.001 38.061 38.000 0.100 0.000 1.415 671 I HN 0.382 nan 8.210 nan 0.000 0.492 672 D N 5.910 126.370 120.400 0.100 0.000 2.424 672 D HA 0.319 4.959 4.640 0.000 0.000 0.244 672 D C -0.319 176.011 176.300 0.050 0.000 1.134 672 D CA 0.162 54.206 54.000 0.073 0.000 0.881 672 D CB 1.512 42.352 40.800 0.067 0.000 1.191 672 D HN 0.265 nan 8.370 nan 0.000 0.445 673 L N 2.954 124.198 121.223 0.035 0.000 2.491 673 L HA 0.304 4.644 4.340 0.000 0.000 0.267 673 L C -1.561 175.315 176.870 0.010 0.000 0.971 673 L CA -0.719 54.136 54.840 0.024 0.000 0.857 673 L CB 1.297 43.373 42.059 0.028 0.000 1.226 673 L HN 0.228 nan 8.230 nan 0.000 0.408 674 N N 6.173 124.878 118.700 0.008 0.000 2.558 674 N HA 0.305 5.045 4.740 0.000 0.000 0.242 674 N C -0.877 174.630 175.510 -0.004 0.000 0.979 674 N CA -0.581 52.470 53.050 0.001 0.000 0.931 674 N CB 1.462 39.952 38.487 0.005 0.000 1.122 674 N HN 0.372 nan 8.380 nan 0.000 0.508 675 I N 2.114 122.677 120.570 -0.011 0.000 2.416 675 I HA 0.176 4.346 4.170 0.000 0.000 0.288 675 I C 0.956 177.065 176.117 -0.013 0.000 1.051 675 I CA -0.097 61.194 61.300 -0.015 0.000 1.375 675 I CB 0.418 38.402 38.000 -0.026 0.000 1.407 675 I HN 0.505 nan 8.210 nan 0.000 0.516 676 T N 4.223 118.771 114.554 -0.010 0.000 2.940 676 T HA 0.683 5.033 4.350 0.000 0.000 0.288 676 T C -0.009 174.685 174.700 -0.009 0.000 1.033 676 T CA -0.992 61.103 62.100 -0.009 0.000 1.033 676 T CB 1.914 70.779 68.868 -0.006 0.000 1.079 676 T HN 0.355 nan 8.240 nan 0.000 0.496 677 M N 1.914 121.510 119.600 -0.007 0.000 2.249 677 M HA 0.341 4.821 4.480 0.000 0.000 0.351 677 M C -0.355 175.945 176.300 -0.000 0.000 1.180 677 M CA -0.937 54.360 55.300 -0.004 0.000 1.127 677 M CB 1.088 33.686 32.600 -0.003 0.000 1.546 677 M HN 0.555 nan 8.290 nan 0.000 0.461 678 L N 4.694 125.919 121.223 0.003 0.000 2.418 678 L HA 0.124 4.464 4.340 0.000 0.000 0.274 678 L C 0.370 177.250 176.870 0.017 0.000 1.135 678 L CA 0.278 55.123 54.840 0.009 0.000 0.870 678 L CB 0.096 42.163 42.059 0.013 0.000 1.154 678 L HN 0.620 nan 8.230 nan 0.000 0.462 679 E N 3.709 123.920 120.200 0.017 0.000 2.280 679 E HA 0.179 4.529 4.350 0.000 0.000 0.261 679 E C -0.997 175.630 176.600 0.045 0.000 1.088 679 E CA -0.718 55.696 56.400 0.024 0.000 0.915 679 E CB 0.562 30.272 29.700 0.017 0.000 1.141 679 E HN 0.529 nan 8.360 nan 0.000 0.433 680 D N 0.875 121.301 120.400 0.042 0.000 2.525 680 D HA 0.056 4.696 4.640 0.000 0.000 0.235 680 D C -0.368 175.980 176.300 0.080 0.000 1.137 680 D CA 0.915 54.947 54.000 0.053 0.000 0.868 680 D CB 0.066 40.880 40.800 0.024 0.000 1.180 680 D HN 0.434 nan 8.370 nan 0.000 0.465 681 H N -0.144 118.901 119.070 -0.042 0.000 2.771 681 H HA 0.282 4.838 4.556 0.000 0.000 0.361 681 H C -1.185 174.052 175.328 -0.151 0.000 1.108 681 H CA -0.828 55.132 56.048 -0.145 0.000 1.201 681 H CB 1.394 31.007 29.762 -0.250 0.000 1.681 681 H HN 0.358 nan 8.280 nan 0.000 0.534 682 E N 5.249 125.017 120.200 -0.720 0.000 2.151 682 E HA 0.249 4.599 4.350 0.000 0.000 0.275 682 E C -1.236 174.978 176.600 -0.644 0.000 0.936 682 E CA -0.767 55.372 56.400 -0.435 0.000 0.777 682 E CB 0.698 30.249 29.700 -0.249 0.000 1.108 682 E HN 0.373 nan 8.360 nan 0.000 0.401 683 F N 4.263 124.130 119.950 -0.138 0.000 2.424 683 F HA 0.169 4.696 4.527 0.000 0.000 0.356 683 F C 0.475 176.249 175.800 -0.043 0.000 1.110 683 F CA -0.658 57.320 58.000 -0.036 0.000 1.161 683 F CB 1.162 40.190 39.000 0.045 0.000 1.115 683 F HN 0.280 nan 8.300 nan 0.000 0.507 684 V N 1.878 121.840 119.914 0.080 0.000 2.785 684 V HA 0.579 4.699 4.120 0.000 0.000 0.300 684 V C -2.273 173.866 176.094 0.076 0.000 1.062 684 V CA -2.342 59.987 62.300 0.048 0.000 1.029 684 V CB 0.343 32.166 31.823 0.001 0.000 1.024 684 V HN 0.515 nan 8.190 nan 0.000 0.477 685 P HA 0.456 nan 4.420 nan 0.000 0.264 685 P C -0.964 176.353 177.300 0.029 0.000 1.193 685 P CA 0.153 63.274 63.100 0.036 0.000 0.763 685 P CB 0.462 32.172 31.700 0.017 0.000 0.810 686 L N 2.358 123.598 121.223 0.030 0.000 2.505 686 L HA 0.427 4.767 4.340 0.000 0.000 0.266 686 L C -0.875 175.997 176.870 0.003 0.000 0.954 686 L CA -0.183 54.666 54.840 0.015 0.000 0.852 686 L CB 1.970 44.046 42.059 0.030 0.000 1.282 686 L HN 0.289 nan 8.230 nan 0.000 0.403 687 E N 2.616 122.805 120.200 -0.018 0.000 2.288 687 E HA 0.432 4.782 4.350 0.000 0.000 0.268 687 E C 0.106 176.655 176.600 -0.085 0.000 0.885 687 E CA -0.789 55.594 56.400 -0.028 0.000 0.767 687 E CB 2.415 32.106 29.700 -0.014 0.000 1.220 687 E HN 0.510 nan 8.360 nan 0.000 0.427 688 V N 1.467 121.305 119.914 -0.127 0.000 2.407 688 V HA -0.081 4.039 4.120 0.000 0.000 0.245 688 V C 0.026 175.768 176.094 -0.588 0.000 1.041 688 V CA 1.135 63.222 62.300 -0.355 0.000 1.040 688 V CB -0.321 31.286 31.823 -0.361 0.000 0.671 688 V HN 0.531 nan 8.190 nan 0.000 0.455 689 Y N 0.100 120.404 120.300 0.008 0.000 2.354 689 Y HA 0.490 5.040 4.550 0.000 0.000 0.330 689 Y C 0.563 176.459 175.900 -0.007 0.000 1.011 689 Y CA -0.962 57.141 58.100 0.006 0.000 1.099 689 Y CB 1.426 39.894 38.460 0.013 0.000 1.179 689 Y HN 0.031 nan 8.280 nan 0.000 0.442 690 T N -1.013 113.609 114.554 0.113 0.000 2.860 690 T HA 0.150 4.500 4.350 0.000 0.000 0.299 690 T C 1.282 175.998 174.700 0.027 0.000 1.045 690 T CA -0.602 61.506 62.100 0.013 0.000 1.071 690 T CB 0.994 69.825 68.868 -0.062 0.000 0.985 690 T HN 0.905 nan 8.240 nan 0.000 0.537 691 R N 0.716 121.185 120.500 -0.052 0.000 2.152 691 R HA -0.159 4.181 4.340 0.000 0.000 0.232 691 R C 1.521 177.916 176.300 0.158 0.000 1.117 691 R CA 1.542 57.660 56.100 0.031 0.000 0.981 691 R CB -0.807 29.503 30.300 0.017 0.000 0.870 691 R HN 0.736 nan 8.270 nan 0.000 0.451 692 H N 1.057 120.151 119.070 0.041 0.000 2.423 692 H HA 0.029 4.585 4.556 0.000 0.000 0.297 692 H C 1.511 176.861 175.328 0.037 0.000 1.075 692 H CA 1.327 57.395 56.048 0.034 0.000 1.342 692 H CB -0.127 29.654 29.762 0.031 0.000 1.395 692 H HN 0.503 nan 8.280 nan 0.000 0.530 693 E N -0.087 120.214 120.200 0.168 0.000 2.208 693 E HA -0.082 4.268 4.350 0.000 0.000 0.193 693 E C 1.770 178.404 176.600 0.058 0.000 0.988 693 E CA 0.297 56.772 56.400 0.125 0.000 0.828 693 E CB 0.203 30.017 29.700 0.189 0.000 0.763 693 E HN 0.274 nan 8.360 nan 0.000 0.478 694 I N 1.328 121.931 120.570 0.055 0.000 2.233 694 I HA -0.215 3.955 4.170 0.000 0.000 0.243 694 I C 2.393 178.517 176.117 0.010 0.000 1.093 694 I CA 1.264 62.564 61.300 -0.001 0.000 1.380 694 I CB -0.895 37.115 38.000 0.017 0.000 1.067 694 I HN 0.045 nan 8.210 nan 0.000 0.413 695 K N 0.818 121.246 120.400 0.048 0.000 2.147 695 K HA -0.250 4.070 4.320 0.000 0.000 0.205 695 K C 1.616 178.229 176.600 0.022 0.000 1.049 695 K CA 1.927 58.236 56.287 0.037 0.000 0.936 695 K CB -0.077 32.453 32.500 0.050 0.000 0.722 695 K HN 0.144 nan 8.250 nan 0.000 0.446 696 D N -0.095 120.321 120.400 0.028 0.000 2.317 696 D HA -0.062 4.578 4.640 0.000 0.000 0.211 696 D C 1.592 177.895 176.300 0.004 0.000 0.966 696 D CA 0.941 54.952 54.000 0.018 0.000 0.876 696 D CB 0.139 40.958 40.800 0.032 0.000 0.927 696 D HN 0.274 nan 8.370 nan 0.000 0.519 697 S N -1.095 114.597 115.700 -0.012 0.000 2.507 697 S HA 0.037 4.507 4.470 0.000 0.000 0.235 697 S C 1.380 175.964 174.600 -0.025 0.000 0.988 697 S CA 0.229 58.409 58.200 -0.034 0.000 0.944 697 S CB -0.585 62.569 63.200 -0.077 0.000 0.762 697 S HN 0.227 nan 8.310 nan 0.000 0.526 698 G N 1.159 109.951 108.800 -0.013 0.000 2.403 698 G HA2 0.462 4.422 3.960 0.000 0.000 0.259 698 G HA3 0.462 4.422 3.960 0.000 0.000 0.259 698 G C 0.459 175.357 174.900 -0.003 0.000 1.244 698 G CA -0.578 44.517 45.100 -0.008 0.000 0.849 698 G HN 0.227 nan 8.290 nan 0.000 0.532 699 L N 2.365 123.585 121.223 -0.005 0.000 2.005 699 L HA 0.273 4.613 4.340 0.000 0.000 0.207 699 L C 1.186 178.059 176.870 0.006 0.000 1.072 699 L CA 1.343 56.182 54.840 -0.002 0.000 0.744 699 L CB -0.521 41.534 42.059 -0.007 0.000 0.895 699 L HN 0.421 nan 8.230 nan 0.000 0.433 700 L N 0.034 121.265 121.223 0.012 0.000 2.325 700 L HA 0.306 4.646 4.340 0.000 0.000 0.278 700 L C -0.896 176.000 176.870 0.043 0.000 1.023 700 L CA -0.591 54.265 54.840 0.027 0.000 0.811 700 L CB 1.567 43.646 42.059 0.034 0.000 1.249 700 L HN 0.013 nan 8.230 nan 0.000 0.431 701 D N 1.371 121.799 120.400 0.047 0.000 2.472 701 D HA 0.046 4.686 4.640 0.000 0.000 0.234 701 D C 0.601 176.954 176.300 0.089 0.000 1.088 701 D CA -0.419 53.617 54.000 0.060 0.000 0.882 701 D CB 0.721 41.537 40.800 0.027 0.000 1.037 701 D HN 0.400 nan 8.370 nan 0.000 0.520 702 Y N 3.241 123.539 120.300 -0.003 0.000 2.062 702 Y HA -0.373 4.177 4.550 0.000 0.000 0.273 702 Y C 1.838 177.739 175.900 0.002 0.000 1.206 702 Y CA 2.602 60.702 58.100 -0.000 0.000 1.125 702 Y CB -0.684 37.777 38.460 0.002 0.000 0.951 702 Y HN 0.341 nan 8.280 nan 0.000 0.501 703 T N 0.506 115.015 114.554 -0.075 0.000 2.652 703 T HA -0.258 4.092 4.350 0.000 0.000 0.267 703 T C 1.800 176.413 174.700 -0.145 0.000 1.039 703 T CA 1.601 63.606 62.100 -0.158 0.000 1.153 703 T CB -0.484 68.363 68.868 -0.035 0.000 0.863 703 T HN 0.407 nan 8.240 nan 0.000 0.428 704 E N 0.844 121.002 120.200 -0.070 0.000 2.097 704 E HA -0.146 4.204 4.350 0.000 0.000 0.196 704 E C 2.259 178.820 176.600 -0.064 0.000 1.000 704 E CA 1.192 57.562 56.400 -0.051 0.000 0.804 704 E CB -0.369 29.318 29.700 -0.021 0.000 0.740 704 E HN 0.348 nan 8.360 nan 0.000 0.454 705 V N 1.419 121.284 119.914 -0.081 0.000 2.255 705 V HA -0.219 3.901 4.120 0.000 0.000 0.243 705 V C 2.643 178.668 176.094 -0.116 0.000 1.038 705 V CA 1.697 63.955 62.300 -0.069 0.000 1.008 705 V CB -0.577 31.229 31.823 -0.028 0.000 0.645 705 V HN 0.221 nan 8.190 nan 0.000 0.449 706 Q N -0.099 119.550 119.800 -0.252 0.000 2.152 706 Q HA -0.217 4.123 4.340 0.000 0.000 0.206 706 Q C 2.369 178.287 176.000 -0.136 0.000 0.985 706 Q CA 1.438 57.094 55.803 -0.246 0.000 0.863 706 Q CB -0.579 27.881 28.738 -0.464 0.000 0.904 706 Q HN 0.449 nan 8.270 nan 0.000 0.422 707 R N 0.792 121.217 120.500 -0.124 0.000 2.081 707 R HA -0.066 4.274 4.340 0.000 0.000 0.235 707 R C 2.147 178.429 176.300 -0.031 0.000 1.131 707 R CA 1.102 57.161 56.100 -0.070 0.000 0.960 707 R CB -0.100 30.161 30.300 -0.065 0.000 0.856 707 R HN 0.183 nan 8.270 nan 0.000 0.436 708 R N 0.130 120.618 120.500 -0.020 0.000 2.062 708 R HA -0.084 4.256 4.340 0.000 0.000 0.231 708 R C 2.013 178.350 176.300 0.062 0.000 1.136 708 R CA 1.642 57.756 56.100 0.024 0.000 0.948 708 R CB -0.293 30.025 30.300 0.030 0.000 0.845 708 R HN 0.240 nan 8.270 nan 0.000 0.430 709 N N 1.030 119.750 118.700 0.034 0.000 2.061 709 N HA -0.206 4.534 4.740 0.000 0.000 0.193 709 N C 1.567 177.122 175.510 0.074 0.000 1.030 709 N CA 1.531 54.609 53.050 0.046 0.000 0.856 709 N CB -0.254 38.229 38.487 -0.007 0.000 1.023 709 N HN 0.363 nan 8.380 nan 0.000 0.424 710 Q N -0.385 119.435 119.800 0.034 0.000 2.451 710 Q HA 0.153 4.493 4.340 0.000 0.000 0.206 710 Q C 1.347 177.379 176.000 0.053 0.000 0.947 710 Q CA 0.187 56.012 55.803 0.037 0.000 0.937 710 Q CB 0.217 28.956 28.738 0.001 0.000 1.025 710 Q HN 0.380 nan 8.270 nan 0.000 0.511 711 L N -0.565 120.693 121.223 0.059 0.000 2.591 711 L HA -0.032 4.308 4.340 0.000 0.000 0.228 711 L C 1.862 178.776 176.870 0.073 0.000 1.133 711 L CA 0.136 54.996 54.840 0.034 0.000 0.880 711 L CB -0.218 41.837 42.059 -0.007 0.000 1.033 711 L HN 0.287 nan 8.230 nan 0.000 0.450 712 H N 0.988 120.107 119.070 0.082 0.000 2.251 712 H HA -0.240 4.316 4.556 0.000 0.000 0.294 712 H C 1.798 177.240 175.328 0.191 0.000 1.078 712 H CA 2.475 58.650 56.048 0.210 0.000 1.246 712 H CB 0.229 30.096 29.762 0.175 0.000 1.358 712 H HN 0.215 nan 8.280 nan 0.000 0.488 713 D N 0.117 120.663 120.400 0.244 0.000 2.149 713 D HA -0.151 4.489 4.640 0.000 0.000 0.198 713 D C 2.498 178.816 176.300 0.030 0.000 0.990 713 D CA 1.000 55.085 54.000 0.142 0.000 0.839 713 D CB -0.428 40.443 40.800 0.118 0.000 0.948 713 D HN 0.398 nan 8.370 nan 0.000 0.460 714 L N 0.163 121.384 121.223 -0.003 0.000 2.127 714 L HA -0.156 4.184 4.340 0.000 0.000 0.211 714 L C 2.505 179.285 176.870 -0.150 0.000 1.089 714 L CA 1.191 55.995 54.840 -0.059 0.000 0.757 714 L CB -0.098 41.929 42.059 -0.052 0.000 0.899 714 L HN -0.025 nan 8.230 nan 0.000 0.434 715 R N -1.591 118.747 120.500 -0.270 0.000 2.140 715 R HA 0.052 4.392 4.340 0.000 0.000 0.213 715 R C 1.222 177.076 176.300 -0.743 0.000 1.059 715 R CA 0.851 56.585 56.100 -0.611 0.000 1.000 715 R CB 0.222 29.929 30.300 -0.988 0.000 0.910 715 R HN 0.258 nan 8.270 nan 0.000 0.455 716 F N -1.308 118.541 119.950 -0.169 0.000 2.798 716 F HA 0.427 4.954 4.527 0.000 0.000 0.328 716 F C 0.594 176.344 175.800 -0.083 0.000 1.098 716 F CA -0.539 57.363 58.000 -0.163 0.000 1.172 716 F CB 0.974 39.788 39.000 -0.310 0.000 1.072 716 F HN -0.061 nan 8.300 nan 0.000 0.555 717 A N -0.616 122.249 122.820 0.074 0.000 3.423 717 A HA 0.684 5.004 4.320 0.000 0.000 0.226 717 A C -1.529 176.069 177.584 0.024 0.000 1.055 717 A CA -0.266 51.811 52.037 0.066 0.000 0.786 717 A CB 0.873 19.928 19.000 0.092 0.000 1.400 717 A HN -0.061 nan 8.150 nan 0.000 0.673 718 D N 0.224 120.639 120.400 0.024 0.000 2.337 718 D HA 0.210 4.850 4.640 0.000 0.000 0.238 718 D C 0.188 176.493 176.300 0.010 0.000 1.331 718 D CA -0.239 53.766 54.000 0.008 0.000 0.967 718 D CB 0.345 41.147 40.800 0.004 0.000 1.382 718 D HN 0.555 nan 8.370 nan 0.000 0.549 719 I N -0.749 119.826 120.570 0.009 0.000 3.528 719 I HA 0.151 4.321 4.170 0.000 0.000 0.298 719 I C -0.011 176.109 176.117 0.005 0.000 1.281 719 I CA 0.401 61.707 61.300 0.010 0.000 1.269 719 I CB 0.187 38.193 38.000 0.011 0.000 1.013 719 I HN -0.056 nan 8.210 nan 0.000 0.512 720 D N 0.674 121.075 120.400 0.002 0.000 3.099 720 D HA 0.083 4.723 4.640 0.000 0.000 0.291 720 D C 0.626 176.926 176.300 0.000 0.000 1.209 720 D CA 0.617 54.618 54.000 0.001 0.000 1.032 720 D CB -0.095 40.705 40.800 0.000 0.000 1.324 720 D HN 0.122 nan 8.370 nan 0.000 0.440 721 T N 1.858 116.411 114.554 -0.002 0.000 2.891 721 T HA 0.158 4.508 4.350 0.000 0.000 0.296 721 T C 0.229 174.917 174.700 -0.021 0.000 1.025 721 T CA 0.266 62.363 62.100 -0.005 0.000 1.149 721 T CB 0.692 69.554 68.868 -0.009 0.000 1.007 721 T HN -0.228 nan 8.240 nan 0.000 0.528 722 V N 5.931 125.833 119.914 -0.020 0.000 2.370 722 V HA 0.351 4.471 4.120 0.000 0.000 0.283 722 V C 0.253 176.264 176.094 -0.139 0.000 1.023 722 V CA -0.982 61.292 62.300 -0.042 0.000 0.857 722 V CB 1.252 33.075 31.823 0.000 0.000 0.985 722 V HN 0.671 nan 8.190 nan 0.000 0.443 723 I N 4.776 125.209 120.570 -0.228 0.000 2.677 723 I HA 0.481 4.651 4.170 0.000 0.000 0.305 723 I C 0.539 176.398 176.117 -0.431 0.000 0.988 723 I CA -0.256 60.725 61.300 -0.530 0.000 1.260 723 I CB 1.145 38.950 38.000 -0.326 0.000 1.410 723 I HN 0.695 nan 8.210 nan 0.000 0.523 724 H N 0.000 119.075 119.070 0.008 0.000 2.539 724 H HA 0.000 4.556 4.556 0.000 0.000 0.296 724 H CA 0.000 56.053 56.048 0.008 0.000 1.023 724 H CB 0.000 29.766 29.762 0.007 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496