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_C 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 0.000 176.266 176.300 -0.057 0.000 2.045 103 D CA 0.000 53.970 54.000 -0.050 0.000 0.868 103 D CB 0.000 40.758 40.800 -0.070 0.000 0.688 104 I N 2.438 122.958 120.570 -0.082 0.000 2.307 104 I HA 0.345 4.574 4.170 0.098 0.000 0.287 104 I C 0.361 176.502 176.117 0.040 0.000 1.054 104 I CA -0.441 60.804 61.300 -0.093 0.000 1.218 104 I CB 1.339 39.173 38.000 -0.276 0.000 1.398 104 I HN -0.086 nan 8.210 nan 0.000 0.475 105 K N 3.627 124.091 120.400 0.108 0.000 2.240 105 K HA 0.728 5.106 4.320 0.098 0.000 0.237 105 K C 0.011 176.827 176.600 0.360 0.000 1.027 105 K CA -0.868 55.548 56.287 0.215 0.000 0.937 105 K CB 1.516 34.089 32.500 0.121 0.000 1.171 105 K HN 0.638 nan 8.250 nan 0.000 0.479 106 A N 1.402 124.414 122.820 0.320 0.000 2.404 106 A HA 0.015 4.393 4.320 0.098 0.000 0.273 106 A C 1.104 178.790 177.584 0.171 0.000 1.144 106 A CA 0.021 52.205 52.037 0.246 0.000 0.806 106 A CB 0.113 19.009 19.000 -0.173 0.000 1.080 106 A HN 0.944 nan 8.150 nan 0.000 0.509 107 E N 3.286 123.616 120.200 0.217 0.000 2.051 107 E HA -0.153 4.255 4.350 0.098 0.000 0.192 107 E C -0.082 176.576 176.600 0.096 0.000 0.991 107 E CA 1.012 57.504 56.400 0.154 0.000 0.799 107 E CB -0.105 29.706 29.700 0.185 0.000 0.748 107 E HN 0.784 nan 8.360 nan 0.000 0.449 108 N N 0.886 119.633 118.700 0.079 0.000 2.426 108 N HA 0.004 4.803 4.740 0.098 0.000 0.257 108 N C -0.125 175.362 175.510 -0.038 0.000 1.002 108 N CA 0.110 53.173 53.050 0.021 0.000 0.942 108 N CB 1.703 40.199 38.487 0.015 0.000 1.112 108 N HN 0.055 nan 8.380 nan 0.000 0.499 109 T N -0.289 114.246 114.554 -0.031 0.000 3.022 109 T HA -0.061 4.347 4.350 0.098 0.000 0.250 109 T C 0.353 175.012 174.700 -0.069 0.000 1.060 109 T CA -0.026 62.045 62.100 -0.048 0.000 1.013 109 T CB -0.039 68.820 68.868 -0.014 0.000 0.982 109 T HN 0.481 nan 8.240 nan 0.000 0.508 110 D N 2.026 122.389 120.400 -0.062 0.000 2.911 110 D HA 0.376 5.075 4.640 0.098 0.000 0.233 110 D C 0.427 176.671 176.300 -0.093 0.000 1.134 110 D CA -0.005 53.959 54.000 -0.061 0.000 1.011 110 D CB -0.351 40.424 40.800 -0.041 0.000 1.174 110 D HN 0.509 nan 8.370 nan 0.000 0.440 111 A N 0.125 122.868 122.820 -0.128 0.000 4.431 111 A HA 0.690 5.069 4.320 0.098 0.000 0.247 111 A C -1.189 176.290 177.584 -0.176 0.000 0.974 111 A CA -0.769 51.163 52.037 -0.175 0.000 0.633 111 A CB 1.348 20.176 19.000 -0.287 0.000 1.698 111 A HN 0.179 nan 8.150 nan 0.000 0.843 112 N N -1.409 117.133 118.700 -0.263 0.000 3.126 112 N HA 0.444 5.242 4.740 0.098 0.000 0.233 112 N C -2.014 173.364 175.510 -0.220 0.000 1.069 112 N CA -0.287 52.651 53.050 -0.186 0.000 1.071 112 N CB 0.693 39.163 38.487 -0.027 0.000 1.683 112 N HN 0.384 nan 8.380 nan 0.000 0.586 113 F N 1.700 121.590 119.950 -0.100 0.000 2.380 113 F HA 0.549 5.134 4.527 0.098 0.000 0.321 113 F C -0.175 175.508 175.800 -0.195 0.000 1.103 113 F CA 0.063 58.018 58.000 -0.076 0.000 1.067 113 F CB 0.873 39.777 39.000 -0.160 0.000 1.265 113 F HN 0.315 nan 8.300 nan 0.000 0.517 114 Y N 0.407 120.782 120.300 0.126 0.000 2.401 114 Y HA 0.453 5.061 4.550 0.097 0.000 0.330 114 Y C -0.849 175.048 175.900 -0.004 0.000 1.071 114 Y CA -1.004 57.123 58.100 0.045 0.000 1.049 114 Y CB 1.865 40.345 38.460 0.032 0.000 1.239 114 Y HN 0.334 nan 8.280 nan 0.000 0.437 115 V N 3.481 123.458 119.914 0.104 0.000 2.472 115 V HA 0.636 4.815 4.120 0.098 0.000 0.290 115 V C -1.059 175.118 176.094 0.140 0.000 1.037 115 V CA -0.413 61.929 62.300 0.070 0.000 0.908 115 V CB 0.734 32.602 31.823 0.075 0.000 0.985 115 V HN 0.923 nan 8.190 nan 0.000 0.454 116 c N 8.635 127.304 118.600 0.116 0.000 2.386 116 c HA 0.488 5.116 4.570 0.098 0.000 0.318 116 c C -2.519 171.624 174.090 0.088 0.000 1.128 116 c CA -1.090 55.301 56.329 0.103 0.000 1.438 116 c CB 0.900 43.462 42.510 0.088 0.000 1.987 116 c HN 0.827 nan 8.230 nan 0.000 0.426 117 P HA 0.274 nan 4.420 nan 0.000 0.286 117 P C -2.433 174.898 177.300 0.053 0.000 1.321 117 P CA -0.922 62.219 63.100 0.068 0.000 0.790 117 P CB 0.284 32.020 31.700 0.060 0.000 0.897 118 P HA -0.016 nan 4.420 nan 0.000 0.271 118 P C -2.382 174.937 177.300 0.031 0.000 1.197 118 P CA -0.215 62.908 63.100 0.039 0.000 0.777 118 P CB -1.065 30.657 31.700 0.037 0.000 0.827 119 P HA 0.129 nan 4.420 nan 0.000 0.297 119 P C 0.653 177.962 177.300 0.015 0.000 1.319 119 P CA -0.256 62.856 63.100 0.019 0.000 0.810 119 P CB 0.640 32.349 31.700 0.016 0.000 0.947 120 T N -0.235 114.327 114.554 0.013 0.000 2.857 120 T HA 0.151 4.560 4.350 0.098 0.000 0.266 120 T C 1.273 175.977 174.700 0.006 0.000 1.048 120 T CA 1.240 63.346 62.100 0.010 0.000 1.139 120 T CB -0.755 68.119 68.868 0.010 0.000 0.874 120 T HN 0.578 nan 8.240 nan 0.000 0.455 121 G N -0.054 108.749 108.800 0.005 0.000 2.559 121 G HA2 0.144 4.162 3.960 0.098 0.000 0.202 121 G HA3 0.144 4.162 3.960 0.098 0.000 0.202 121 G C 1.041 175.942 174.900 0.002 0.000 0.992 121 G CA 0.212 45.313 45.100 0.001 0.000 0.764 121 G HN 0.751 nan 8.290 nan 0.000 0.525 122 A N -0.125 122.697 122.820 0.004 0.000 1.908 122 A HA 0.328 4.707 4.320 0.098 0.000 0.218 122 A C 1.368 178.954 177.584 0.004 0.000 1.181 122 A CA 2.386 54.426 52.037 0.004 0.000 0.627 122 A CB -0.221 18.782 19.000 0.006 0.000 0.818 122 A HN 0.907 nan 8.150 nan 0.000 0.445 123 T N -0.593 113.964 114.554 0.005 0.000 2.841 123 T HA 0.580 4.989 4.350 0.098 0.000 0.285 123 T C -0.972 173.729 174.700 0.002 0.000 0.991 123 T CA -0.411 61.692 62.100 0.005 0.000 0.966 123 T CB 1.803 70.676 68.868 0.009 0.000 0.962 123 T HN 0.039 nan 8.240 nan 0.000 0.438 124 V N 3.339 123.253 119.914 -0.001 0.000 2.876 124 V HA 0.835 5.014 4.120 0.098 0.000 0.312 124 V C -0.432 175.658 176.094 -0.007 0.000 1.085 124 V CA -0.803 61.492 62.300 -0.009 0.000 0.945 124 V CB 2.170 33.985 31.823 -0.013 0.000 1.017 124 V HN 0.877 nan 8.190 nan 0.000 0.428 125 V N 1.978 121.882 119.914 -0.016 0.000 3.130 125 V HA 0.826 5.004 4.120 0.098 0.000 0.310 125 V C -1.006 175.067 176.094 -0.035 0.000 1.158 125 V CA -0.750 61.548 62.300 -0.003 0.000 1.029 125 V CB 1.922 33.763 31.823 0.031 0.000 1.057 125 V HN 0.996 nan 8.190 nan 0.000 0.436 126 Q N 1.288 121.091 119.800 0.005 0.000 2.416 126 Q HA 0.641 5.040 4.340 0.098 0.000 0.279 126 Q C -1.400 174.700 176.000 0.168 0.000 1.101 126 Q CA -0.863 54.933 55.803 -0.012 0.000 0.830 126 Q CB 2.761 31.501 28.738 0.004 0.000 1.402 126 Q HN 0.716 nan 8.270 nan 0.000 0.445 127 F N 0.959 120.899 119.950 -0.016 0.000 2.404 127 F HA 0.179 4.765 4.527 0.098 0.000 0.345 127 F C 0.920 176.704 175.800 -0.027 0.000 1.110 127 F CA -0.919 57.062 58.000 -0.031 0.000 1.130 127 F CB 1.304 40.292 39.000 -0.020 0.000 1.129 127 F HN 0.676 nan 8.300 nan 0.000 0.500 128 E N 3.119 123.397 120.200 0.130 0.000 2.608 128 E HA -0.149 4.260 4.350 0.098 0.000 0.259 128 E C -0.225 176.409 176.600 0.056 0.000 0.951 128 E CA -0.294 56.137 56.400 0.052 0.000 0.945 128 E CB 0.655 30.349 29.700 -0.011 0.000 0.916 128 E HN 0.495 nan 8.360 nan 0.000 0.477 129 Q N 3.737 123.566 119.800 0.048 0.000 2.492 129 Q HA 0.190 4.589 4.340 0.098 0.000 0.238 129 Q C -2.285 173.732 176.000 0.028 0.000 1.045 129 Q CA -1.127 54.702 55.803 0.043 0.000 0.934 129 Q CB 0.424 29.183 28.738 0.035 0.000 1.276 129 Q HN 0.372 nan 8.270 nan 0.000 0.521 130 P HA 0.081 nan 4.420 nan 0.000 0.268 130 P C -0.967 176.346 177.300 0.022 0.000 1.204 130 P CA 0.247 63.361 63.100 0.024 0.000 0.768 130 P CB 0.612 32.330 31.700 0.030 0.000 0.842 131 R N 1.948 122.460 120.500 0.020 0.000 2.582 131 R HA 0.271 4.670 4.340 0.098 0.000 0.271 131 R C 0.755 177.071 176.300 0.026 0.000 1.078 131 R CA -0.641 55.473 56.100 0.023 0.000 1.127 131 R CB 0.613 30.929 30.300 0.027 0.000 1.038 131 R HN 0.431 nan 8.270 nan 0.000 0.500 132 R N 2.208 122.723 120.500 0.024 0.000 2.370 132 R HA 0.067 4.465 4.340 0.098 0.000 0.309 132 R C -0.641 175.676 176.300 0.028 0.000 1.059 132 R CA -0.281 55.833 56.100 0.024 0.000 0.981 132 R CB 0.272 30.584 30.300 0.020 0.000 0.972 132 R HN 0.607 nan 8.270 nan 0.000 0.437 133 c N 5.954 124.571 118.600 0.029 0.000 2.595 133 c HA 0.307 4.936 4.570 0.098 0.000 0.384 133 c C -1.773 172.335 174.090 0.030 0.000 1.289 133 c CA -1.075 55.275 56.329 0.035 0.000 2.372 133 c CB 0.341 42.871 42.510 0.034 0.000 2.593 133 c HN 0.679 nan 8.230 nan 0.000 0.639 134 P HA 0.273 nan 4.420 nan 0.000 0.271 134 P C -0.413 176.899 177.300 0.020 0.000 1.218 134 P CA 0.149 63.263 63.100 0.024 0.000 0.780 134 P CB 0.403 32.117 31.700 0.024 0.000 0.901 135 T N -0.340 114.223 114.554 0.014 0.000 2.888 135 T HA 0.507 4.915 4.350 0.098 0.000 0.284 135 T C 0.048 174.753 174.700 0.008 0.000 1.017 135 T CA -1.155 60.952 62.100 0.012 0.000 1.022 135 T CB 1.198 70.073 68.868 0.011 0.000 1.013 135 T HN 0.164 nan 8.240 nan 0.000 0.465 136 R N 1.932 122.436 120.500 0.007 0.000 2.438 136 R HA 0.373 4.772 4.340 0.098 0.000 0.287 136 R C -2.165 174.137 176.300 0.004 0.000 1.077 136 R CA -1.298 54.804 56.100 0.003 0.000 1.034 136 R CB -0.053 30.248 30.300 0.001 0.000 0.993 136 R HN 0.533 nan 8.270 nan 0.000 0.459 137 P HA -0.005 nan 4.420 nan 0.000 0.269 137 P C 0.245 177.549 177.300 0.006 0.000 1.209 137 P CA -0.151 62.953 63.100 0.006 0.000 0.776 137 P CB 0.591 32.296 31.700 0.008 0.000 0.876 138 E N 0.792 120.996 120.200 0.007 0.000 2.171 138 E HA -0.076 4.333 4.350 0.098 0.000 0.197 138 E C 0.796 177.401 176.600 0.008 0.000 0.997 138 E CA 1.327 57.732 56.400 0.007 0.000 0.810 138 E CB -0.235 29.469 29.700 0.005 0.000 0.738 138 E HN 0.791 nan 8.360 nan 0.000 0.467 139 G N 0.513 109.316 108.800 0.005 0.000 2.459 139 G HA2 -0.142 3.877 3.960 0.098 0.000 0.685 139 G HA3 -0.142 3.877 3.960 0.098 0.000 0.685 139 G C -1.208 173.679 174.900 -0.021 0.000 1.303 139 G CA -0.667 44.436 45.100 0.005 0.000 0.907 139 G HN 0.070 nan 8.290 nan 0.000 0.632 140 Q N 0.356 120.132 119.800 -0.039 0.000 2.288 140 Q HA 0.496 4.894 4.340 0.098 0.000 0.258 140 Q C 0.073 175.911 176.000 -0.269 0.000 0.957 140 Q CA -0.411 55.274 55.803 -0.197 0.000 0.919 140 Q CB 0.526 29.093 28.738 -0.287 0.000 1.185 140 Q HN 0.509 nan 8.270 nan 0.000 0.408 141 N N 3.827 122.350 118.700 -0.295 0.000 2.419 141 N HA 0.203 5.001 4.740 0.098 0.000 0.264 141 N C -1.306 173.999 175.510 -0.342 0.000 1.031 141 N CA 0.014 52.950 53.050 -0.190 0.000 0.951 141 N CB 0.585 39.027 38.487 -0.074 0.000 1.101 141 N HN 0.478 nan 8.380 nan 0.000 0.488 142 Y N 0.006 120.311 120.300 0.010 0.000 2.377 142 Y HA 0.311 4.920 4.550 0.097 0.000 0.339 142 Y C 0.827 176.737 175.900 0.017 0.000 1.011 142 Y CA -0.701 57.397 58.100 -0.003 0.000 1.093 142 Y CB 1.547 40.006 38.460 -0.003 0.000 1.201 142 Y HN 0.235 nan 8.280 nan 0.000 0.455 143 T N 3.167 117.806 114.554 0.141 0.000 2.845 143 T HA 0.254 4.662 4.350 0.098 0.000 0.288 143 T C -0.383 174.427 174.700 0.183 0.000 0.980 143 T CA -0.965 61.218 62.100 0.137 0.000 1.071 143 T CB 0.440 69.368 68.868 0.100 0.000 0.941 143 T HN 0.506 nan 8.240 nan 0.000 0.487 144 E N 0.971 121.261 120.200 0.150 0.000 2.343 144 E HA 0.588 4.997 4.350 0.098 0.000 0.269 144 E C 0.250 176.848 176.600 -0.003 0.000 1.047 144 E CA -0.950 55.508 56.400 0.095 0.000 0.874 144 E CB 1.036 30.784 29.700 0.080 0.000 1.033 144 E HN 0.781 nan 8.360 nan 0.000 0.409 145 G N 1.291 110.028 108.800 -0.105 0.000 2.596 145 G HA2 0.373 4.391 3.960 0.098 0.000 0.296 145 G HA3 0.373 4.391 3.960 0.098 0.000 0.296 145 G C -1.028 173.662 174.900 -0.350 0.000 1.513 145 G CA -0.953 43.877 45.100 -0.451 0.000 0.851 145 G HN 0.385 nan 8.290 nan 0.000 0.548 146 I N 0.827 121.149 120.570 -0.413 0.000 2.532 146 I HA 0.633 4.862 4.170 0.098 0.000 0.292 146 I C 0.690 176.707 176.117 -0.166 0.000 1.014 146 I CA -0.504 60.664 61.300 -0.220 0.000 1.340 146 I CB 1.767 39.655 38.000 -0.187 0.000 1.422 146 I HN 0.702 nan 8.210 nan 0.000 0.528 147 A N 5.253 128.061 122.820 -0.020 0.000 2.475 147 A HA 0.822 5.201 4.320 0.098 0.000 0.301 147 A C -1.208 176.380 177.584 0.007 0.000 1.059 147 A CA -0.508 51.561 52.037 0.053 0.000 0.710 147 A CB 1.880 20.985 19.000 0.174 0.000 1.288 147 A HN 0.402 nan 8.150 nan 0.000 0.408 148 V N 2.027 121.953 119.914 0.020 0.000 2.482 148 V HA 0.406 4.585 4.120 0.098 0.000 0.295 148 V C -0.527 175.549 176.094 -0.031 0.000 1.026 148 V CA -0.561 61.712 62.300 -0.045 0.000 0.856 148 V CB 1.513 33.325 31.823 -0.017 0.000 1.001 148 V HN 0.685 nan 8.190 nan 0.000 0.424 149 V N 5.689 125.539 119.914 -0.108 0.000 2.383 149 V HA 0.496 4.674 4.120 0.098 0.000 0.275 149 V C -0.345 175.782 176.094 0.055 0.000 1.036 149 V CA -0.274 62.040 62.300 0.023 0.000 0.889 149 V CB 1.034 32.872 31.823 0.024 0.000 0.985 149 V HN 0.619 nan 8.190 nan 0.000 0.459 150 F N 4.091 124.161 119.950 0.200 0.000 2.432 150 F HA 0.676 5.261 4.527 0.097 0.000 0.329 150 F C 0.483 176.388 175.800 0.176 0.000 1.076 150 F CA -0.646 57.470 58.000 0.194 0.000 1.018 150 F CB 1.600 40.665 39.000 0.109 0.000 1.201 150 F HN 0.457 nan 8.300 nan 0.000 0.489 151 K N -0.027 120.534 120.400 0.268 0.000 2.395 151 K HA 0.433 4.812 4.320 0.098 0.000 0.245 151 K C -0.922 175.667 176.600 -0.019 0.000 1.017 151 K CA -1.082 55.210 56.287 0.010 0.000 0.852 151 K CB 1.768 34.175 32.500 -0.156 0.000 1.311 151 K HN 0.618 nan 8.250 nan 0.000 0.452 152 E N 1.501 121.619 120.200 -0.137 0.000 2.480 152 E HA -0.125 4.284 4.350 0.098 0.000 0.258 152 E C -0.741 175.829 176.600 -0.050 0.000 0.984 152 E CA -0.130 56.208 56.400 -0.103 0.000 0.930 152 E CB 0.405 30.012 29.700 -0.155 0.000 0.936 152 E HN 0.517 nan 8.360 nan 0.000 0.466 153 N N 5.181 123.882 118.700 0.003 0.000 2.415 153 N HA 0.009 4.808 4.740 0.098 0.000 0.250 153 N C 0.675 176.204 175.510 0.032 0.000 1.127 153 N CA -0.095 52.981 53.050 0.043 0.000 0.945 153 N CB 0.231 38.776 38.487 0.097 0.000 1.196 153 N HN 0.617 nan 8.380 nan 0.000 0.499 154 I N 0.413 120.991 120.570 0.012 0.000 3.578 154 I HA 0.357 4.585 4.170 0.098 0.000 0.295 154 I C 0.611 176.753 176.117 0.040 0.000 1.280 154 I CA -0.427 60.878 61.300 0.008 0.000 1.347 154 I CB -0.017 37.971 38.000 -0.019 0.000 1.051 154 I HN 0.293 nan 8.210 nan 0.000 0.460 155 A N 2.818 125.678 122.820 0.067 0.000 2.401 155 A HA 0.577 4.955 4.320 0.098 0.000 0.259 155 A C -2.309 175.361 177.584 0.143 0.000 1.103 155 A CA -1.166 50.921 52.037 0.083 0.000 0.789 155 A CB -0.482 18.566 19.000 0.079 0.000 1.035 155 A HN 0.145 nan 8.150 nan 0.000 0.491 156 P HA 0.122 nan 4.420 nan 0.000 0.272 156 P C -0.597 176.886 177.300 0.304 0.000 1.230 156 P CA -0.092 63.133 63.100 0.209 0.000 0.788 156 P CB 0.217 31.986 31.700 0.116 0.000 0.949 157 Y N 2.093 122.612 120.300 0.365 0.000 2.497 157 Y HA 0.181 4.790 4.550 0.097 0.000 0.334 157 Y C -0.019 176.022 175.900 0.234 0.000 1.199 157 Y CA 0.359 58.642 58.100 0.306 0.000 1.425 157 Y CB 0.343 39.006 38.460 0.338 0.000 1.291 157 Y HN 0.221 nan 8.280 nan 0.000 0.562 158 K N 7.294 127.367 120.400 -0.545 0.000 2.397 158 K HA 0.538 4.917 4.320 0.098 0.000 0.253 158 K C -1.623 174.640 176.600 -0.562 0.000 0.932 158 K CA -0.470 55.544 56.287 -0.454 0.000 0.795 158 K CB 1.619 33.982 32.500 -0.228 0.000 1.159 158 K HN 0.561 nan 8.250 nan 0.000 0.424 159 F N -1.252 118.341 119.950 -0.596 0.000 2.686 159 F HA 0.580 5.167 4.527 0.100 0.000 0.311 159 F C -1.073 174.572 175.800 -0.258 0.000 1.128 159 F CA -1.342 56.402 58.000 -0.427 0.000 0.946 159 F CB 1.354 40.086 39.000 -0.447 0.000 1.336 159 F HN 0.015 nan 8.300 nan 0.000 0.457 160 K N 1.433 121.808 120.400 -0.041 0.000 2.123 160 K HA 0.865 5.243 4.320 0.098 0.000 0.259 160 K C -0.959 175.657 176.600 0.026 0.000 0.960 160 K CA -0.973 55.265 56.287 -0.082 0.000 0.872 160 K CB 2.014 34.514 32.500 -0.001 0.000 1.079 160 K HN 0.940 nan 8.250 nan 0.000 0.440 161 A N 1.255 124.057 122.820 -0.029 0.000 2.587 161 A HA 0.645 5.024 4.320 0.098 0.000 0.293 161 A C -1.082 176.546 177.584 0.073 0.000 1.087 161 A CA -0.665 51.428 52.037 0.093 0.000 0.692 161 A CB 1.818 20.826 19.000 0.013 0.000 1.291 161 A HN 0.540 nan 8.150 nan 0.000 0.407 162 T N 1.477 116.113 114.554 0.138 0.000 2.863 162 T HA 0.642 5.051 4.350 0.098 0.000 0.285 162 T C -0.364 174.307 174.700 -0.049 0.000 1.009 162 T CA -0.218 61.880 62.100 -0.003 0.000 0.989 162 T CB 1.134 69.968 68.868 -0.057 0.000 1.004 162 T HN 0.553 nan 8.240 nan 0.000 0.455 163 M N 2.850 122.338 119.600 -0.186 0.000 2.294 163 M HA 0.489 5.028 4.480 0.098 0.000 0.335 163 M C -1.600 174.588 176.300 -0.186 0.000 1.079 163 M CA -0.727 54.544 55.300 -0.048 0.000 0.982 163 M CB 1.482 34.078 32.600 -0.008 0.000 1.651 163 M HN 0.601 nan 8.290 nan 0.000 0.437 164 Y N 3.397 123.865 120.300 0.280 0.000 2.326 164 Y HA 0.604 5.212 4.550 0.098 0.000 0.329 164 Y C -0.643 175.429 175.900 0.286 0.000 0.973 164 Y CA -1.016 57.191 58.100 0.178 0.000 1.162 164 Y CB 0.766 39.300 38.460 0.124 0.000 1.147 164 Y HN 0.650 nan 8.280 nan 0.000 0.456 165 Y N -1.024 119.383 120.300 0.178 0.000 2.853 165 Y HA 0.824 5.437 4.550 0.105 0.000 0.326 165 Y C -1.867 174.057 175.900 0.039 0.000 1.384 165 Y CA -2.040 56.125 58.100 0.109 0.000 1.077 165 Y CB 1.550 40.083 38.460 0.123 0.000 1.395 165 Y HN 0.261 nan 8.280 nan 0.000 0.451 166 K N 0.977 121.458 120.400 0.134 0.000 2.507 166 K HA 0.288 4.666 4.320 0.098 0.000 0.251 166 K C -2.120 174.524 176.600 0.072 0.000 0.943 166 K CA -0.873 55.414 56.287 0.000 0.000 0.794 166 K CB 1.785 34.261 32.500 -0.040 0.000 1.188 166 K HN 0.480 nan 8.250 nan 0.000 0.428 167 D N 2.400 122.833 120.400 0.056 0.000 2.346 167 D HA 0.069 4.767 4.640 0.098 0.000 0.260 167 D C -0.508 175.799 176.300 0.011 0.000 1.252 167 D CA 0.097 54.129 54.000 0.052 0.000 0.895 167 D CB 0.910 41.742 40.800 0.053 0.000 1.097 167 D HN 0.045 nan 8.370 nan 0.000 0.489 168 V N 3.330 123.228 119.914 -0.026 0.000 2.394 168 V HA 0.374 4.552 4.120 0.098 0.000 0.282 168 V C 0.444 176.496 176.094 -0.070 0.000 1.031 168 V CA -0.306 61.994 62.300 -0.001 0.000 0.881 168 V CB 1.822 33.672 31.823 0.046 0.000 0.982 168 V HN 0.461 nan 8.190 nan 0.000 0.451 169 T N 4.294 118.864 114.554 0.027 0.000 2.881 169 T HA 0.584 4.993 4.350 0.098 0.000 0.290 169 T C -0.680 174.111 174.700 0.152 0.000 1.000 169 T CA -0.437 61.676 62.100 0.022 0.000 0.978 169 T CB 1.801 70.699 68.868 0.050 0.000 0.997 169 T HN 0.298 nan 8.240 nan 0.000 0.443 170 V N 3.640 123.681 119.914 0.211 0.000 2.380 170 V HA 0.480 4.658 4.120 0.098 0.000 0.286 170 V C 0.229 176.510 176.094 0.312 0.000 1.015 170 V CA -0.899 61.602 62.300 0.334 0.000 0.834 170 V CB 1.409 33.508 31.823 0.461 0.000 1.009 170 V HN 1.058 nan 8.190 nan 0.000 0.428 171 S N 4.014 119.875 115.700 0.268 0.000 2.585 171 S HA 0.644 5.173 4.470 0.098 0.000 0.277 171 S C -0.528 174.181 174.600 0.182 0.000 1.241 171 S CA -0.642 57.703 58.200 0.241 0.000 1.041 171 S CB 1.904 65.311 63.200 0.346 0.000 0.987 171 S HN 0.731 nan 8.310 nan 0.000 0.512 172 Q N 1.945 121.773 119.800 0.047 0.000 2.327 172 Q HA 0.539 4.938 4.340 0.098 0.000 0.270 172 Q C -1.825 174.051 176.000 -0.206 0.000 1.022 172 Q CA -0.703 54.883 55.803 -0.360 0.000 0.773 172 Q CB 1.550 29.859 28.738 -0.715 0.000 1.251 172 Q HN 0.699 nan 8.270 nan 0.000 0.457 173 V N 4.503 124.227 119.914 -0.316 0.000 2.459 173 V HA 0.512 4.691 4.120 0.098 0.000 0.295 173 V C -0.123 175.622 176.094 -0.582 0.000 1.029 173 V CA -0.799 61.213 62.300 -0.480 0.000 0.874 173 V CB 1.656 33.056 31.823 -0.704 0.000 0.985 173 V HN 0.710 nan 8.190 nan 0.000 0.438 174 R N 3.598 123.802 120.500 -0.494 0.000 2.407 174 R HA 0.563 4.961 4.340 0.098 0.000 0.303 174 R C -1.575 174.394 176.300 -0.553 0.000 0.981 174 R CA -0.354 55.524 56.100 -0.371 0.000 0.905 174 R CB 0.915 31.139 30.300 -0.128 0.000 1.099 174 R HN 0.523 nan 8.270 nan 0.000 0.459 175 F N 1.576 121.427 119.950 -0.164 0.000 2.432 175 F HA 0.668 5.254 4.527 0.099 0.000 0.329 175 F C 1.111 176.673 175.800 -0.397 0.000 1.076 175 F CA 0.055 57.887 58.000 -0.280 0.000 1.018 175 F CB 2.255 41.135 39.000 -0.201 0.000 1.201 175 F HN 0.750 nan 8.300 nan 0.000 0.489 176 G N -0.199 108.295 108.800 -0.510 0.000 2.753 176 G HA2 0.351 4.369 3.960 0.098 0.000 0.303 176 G HA3 0.351 4.369 3.960 0.098 0.000 0.303 176 G C -2.238 172.444 174.900 -0.364 0.000 1.242 176 G CA -0.630 44.122 45.100 -0.581 0.000 0.810 176 G HN 0.634 nan 8.290 nan 0.000 0.515 177 H N 0.247 119.191 119.070 -0.209 0.000 2.708 177 H HA 0.686 5.300 4.556 0.098 0.000 0.320 177 H C -0.205 175.224 175.328 0.167 0.000 0.991 177 H CA -0.693 55.342 56.048 -0.020 0.000 1.243 177 H CB 1.158 30.929 29.762 0.014 0.000 1.446 177 H HN 0.192 nan 8.280 nan 0.000 0.502 178 R N 4.967 125.419 120.500 -0.080 0.000 2.989 178 R HA 0.142 4.541 4.340 0.098 0.000 0.340 178 R C -1.395 174.849 176.300 -0.093 0.000 1.205 178 R CA -0.356 55.546 56.100 -0.329 0.000 1.235 178 R CB -0.831 29.098 30.300 -0.618 0.000 1.394 178 R HN 0.661 nan 8.270 nan 0.000 0.598 179 Y N -2.971 117.294 120.300 -0.058 0.000 2.853 179 Y HA 0.809 5.417 4.550 0.097 0.000 0.332 179 Y C -0.123 175.767 175.900 -0.017 0.000 1.229 179 Y CA -1.428 56.647 58.100 -0.043 0.000 1.177 179 Y CB 0.809 39.243 38.460 -0.044 0.000 1.435 179 Y HN -0.097 nan 8.280 nan 0.000 0.659 180 S N -0.087 115.703 115.700 0.151 0.000 2.533 180 S HA 0.373 4.901 4.470 0.098 0.000 0.271 180 S C -1.972 172.612 174.600 -0.026 0.000 1.143 180 S CA -0.699 57.449 58.200 -0.087 0.000 0.891 180 S CB 1.502 64.635 63.200 -0.111 0.000 1.105 180 S HN 0.811 nan 8.310 nan 0.000 0.468 181 Q N 3.186 122.856 119.800 -0.216 0.000 2.284 181 Q HA 0.453 4.852 4.340 0.098 0.000 0.269 181 Q C -1.691 174.143 176.000 -0.277 0.000 1.026 181 Q CA -0.603 55.111 55.803 -0.148 0.000 0.831 181 Q CB 0.924 29.712 28.738 0.082 0.000 1.322 181 Q HN 0.602 nan 8.270 nan 0.000 0.419 182 F N 3.392 123.286 119.950 -0.093 0.000 2.529 182 F HA 0.069 4.659 4.527 0.104 0.000 0.365 182 F C 1.374 177.125 175.800 -0.081 0.000 1.102 182 F CA 0.191 58.130 58.000 -0.100 0.000 1.271 182 F CB 0.602 39.569 39.000 -0.055 0.000 1.120 182 F HN 0.593 nan 8.300 nan 0.000 0.579 183 M N 1.717 121.372 119.600 0.091 0.000 2.534 183 M HA 0.270 4.809 4.480 0.098 0.000 0.263 183 M C 0.734 177.076 176.300 0.070 0.000 1.152 183 M CA 0.480 55.803 55.300 0.038 0.000 1.145 183 M CB -0.205 32.370 32.600 -0.042 0.000 1.333 183 M HN 0.652 nan 8.290 nan 0.000 0.477 184 G N 0.471 109.329 108.800 0.097 0.000 2.655 184 G HA2 0.592 4.610 3.960 0.098 0.000 0.296 184 G HA3 0.592 4.610 3.960 0.098 0.000 0.296 184 G C -1.635 173.323 174.900 0.097 0.000 1.485 184 G CA -0.579 44.580 45.100 0.098 0.000 0.869 184 G HN 0.123 nan 8.290 nan 0.000 0.540 185 I N 1.580 122.185 120.570 0.058 0.000 2.503 185 I HA 0.298 4.526 4.170 0.098 0.000 0.282 185 I C -1.235 174.960 176.117 0.130 0.000 1.059 185 I CA -0.590 60.722 61.300 0.020 0.000 1.081 185 I CB 1.943 39.818 38.000 -0.208 0.000 1.210 185 I HN 0.472 nan 8.210 nan 0.000 0.450 186 F N 7.006 126.988 119.950 0.054 0.000 2.404 186 F HA 0.551 5.136 4.527 0.096 0.000 0.354 186 F C -0.248 175.597 175.800 0.074 0.000 1.122 186 F CA -0.183 57.859 58.000 0.069 0.000 1.080 186 F CB 0.877 39.938 39.000 0.101 0.000 1.131 186 F HN 0.388 nan 8.300 nan 0.000 0.471 187 E N 4.316 124.241 120.200 -0.458 0.000 2.207 187 E HA 0.385 4.794 4.350 0.098 0.000 0.270 187 E C -1.532 174.732 176.600 -0.559 0.000 0.927 187 E CA -0.981 55.147 56.400 -0.454 0.000 0.799 187 E CB 2.162 31.756 29.700 -0.176 0.000 1.172 187 E HN 0.564 nan 8.360 nan 0.000 0.404 188 D N 0.646 120.806 120.400 -0.400 0.000 2.599 188 D HA 0.316 5.015 4.640 0.098 0.000 0.252 188 D C -1.363 174.876 176.300 -0.103 0.000 1.232 188 D CA -0.655 53.214 54.000 -0.219 0.000 0.819 188 D CB 1.612 42.306 40.800 -0.177 0.000 1.401 188 D HN 0.246 nan 8.370 nan 0.000 0.429 189 R N 0.446 120.909 120.500 -0.062 0.000 2.494 189 R HA 0.820 5.219 4.340 0.098 0.000 0.305 189 R C -0.973 175.227 176.300 -0.167 0.000 0.959 189 R CA -0.926 55.153 56.100 -0.035 0.000 0.864 189 R CB 2.067 32.349 30.300 -0.031 0.000 1.159 189 R HN 0.335 nan 8.270 nan 0.000 0.446 190 A N 4.748 127.431 122.820 -0.229 0.000 2.304 190 A HA 0.518 4.897 4.320 0.098 0.000 0.314 190 A C -2.433 175.068 177.584 -0.137 0.000 1.187 190 A CA -1.979 49.719 52.037 -0.565 0.000 0.810 190 A CB 0.865 19.271 19.000 -0.989 0.000 1.183 190 A HN 0.402 nan 8.150 nan 0.000 0.487 191 P HA 0.103 nan 4.420 nan 0.000 0.267 191 P C -0.132 177.220 177.300 0.086 0.000 1.209 191 P CA 0.279 63.427 63.100 0.081 0.000 0.763 191 P CB 0.714 32.443 31.700 0.048 0.000 0.816 192 V N 7.380 127.376 119.914 0.138 0.000 2.479 192 V HA 0.077 4.256 4.120 0.098 0.000 0.281 192 V C -1.705 174.432 176.094 0.072 0.000 1.031 192 V CA -1.233 61.121 62.300 0.091 0.000 1.038 192 V CB 0.023 31.908 31.823 0.103 0.000 0.981 192 V HN 0.522 nan 8.190 nan 0.000 0.478 193 P HA -0.003 nan 4.420 nan 0.000 0.268 193 P C 0.623 177.956 177.300 0.055 0.000 1.208 193 P CA -0.159 62.984 63.100 0.073 0.000 0.777 193 P CB 0.378 32.111 31.700 0.056 0.000 0.875 194 F N 2.726 122.646 119.950 -0.050 0.000 2.120 194 F HA -0.234 4.350 4.527 0.096 0.000 0.300 194 F C 1.503 177.249 175.800 -0.089 0.000 1.095 194 F CA 1.933 59.880 58.000 -0.089 0.000 1.249 194 F CB -0.534 38.417 39.000 -0.081 0.000 0.995 194 F HN 0.316 nan 8.300 nan 0.000 0.480 195 E N 0.015 119.924 120.200 -0.485 0.000 2.216 195 E HA -0.128 4.281 4.350 0.098 0.000 0.192 195 E C 2.079 178.503 176.600 -0.294 0.000 0.988 195 E CA 0.939 57.012 56.400 -0.544 0.000 0.834 195 E CB -0.283 29.210 29.700 -0.344 0.000 0.772 195 E HN 0.655 nan 8.360 nan 0.000 0.479 196 E N 0.379 120.469 120.200 -0.184 0.000 2.106 196 E HA -0.156 4.253 4.350 0.098 0.000 0.192 196 E C 1.790 178.296 176.600 -0.156 0.000 0.984 196 E CA 0.920 57.244 56.400 -0.126 0.000 0.806 196 E CB 0.198 29.857 29.700 -0.068 0.000 0.750 196 E HN 0.068 nan 8.360 nan 0.000 0.458 197 V N 1.147 120.929 119.914 -0.220 0.000 2.343 197 V HA -0.259 3.919 4.120 0.098 0.000 0.247 197 V C 2.294 178.247 176.094 -0.234 0.000 1.051 197 V CA 1.512 63.616 62.300 -0.327 0.000 1.036 197 V CB -0.298 31.224 31.823 -0.501 0.000 0.654 197 V HN 0.358 nan 8.190 nan 0.000 0.451 198 I N 0.017 120.440 120.570 -0.245 0.000 2.235 198 I HA -0.134 4.095 4.170 0.098 0.000 0.241 198 I C 1.945 177.994 176.117 -0.114 0.000 1.085 198 I CA 1.508 62.717 61.300 -0.152 0.000 1.378 198 I CB -0.337 37.489 38.000 -0.290 0.000 1.076 198 I HN 0.330 nan 8.210 nan 0.000 0.415 199 D N 0.235 120.546 120.400 -0.148 0.000 2.348 199 D HA -0.025 4.673 4.640 0.098 0.000 0.211 199 D C 1.855 178.105 176.300 -0.084 0.000 0.998 199 D CA 0.643 54.579 54.000 -0.107 0.000 0.873 199 D CB 0.300 41.034 40.800 -0.110 0.000 0.925 199 D HN 0.282 nan 8.370 nan 0.000 0.524 200 K N -0.008 120.341 120.400 -0.086 0.000 2.363 200 K HA 0.259 4.637 4.320 0.098 0.000 0.215 200 K C 2.224 178.787 176.600 -0.061 0.000 1.179 200 K CA -0.111 56.136 56.287 -0.067 0.000 0.856 200 K CB 0.062 32.524 32.500 -0.062 0.000 1.371 200 K HN 0.038 nan 8.250 nan 0.000 0.455 201 I N 1.902 122.434 120.570 -0.063 0.000 2.163 201 I HA -0.257 3.972 4.170 0.098 0.000 0.240 201 I C 2.129 178.220 176.117 -0.044 0.000 1.081 201 I CA 1.556 62.831 61.300 -0.042 0.000 1.353 201 I CB -0.350 37.645 38.000 -0.009 0.000 1.054 201 I HN 0.218 nan 8.210 nan 0.000 0.407 202 N N 0.646 119.328 118.700 -0.031 0.000 2.333 202 N HA -0.024 4.775 4.740 0.098 0.000 0.178 202 N C 1.730 177.204 175.510 -0.060 0.000 1.018 202 N CA 1.090 54.131 53.050 -0.016 0.000 0.882 202 N CB 0.083 38.612 38.487 0.071 0.000 0.984 202 N HN 0.289 nan 8.380 nan 0.000 0.434 203 A N 0.466 123.248 122.820 -0.064 0.000 1.841 203 A HA -0.006 4.372 4.320 0.098 0.000 0.214 203 A C 1.686 179.231 177.584 -0.066 0.000 1.195 203 A CA 1.386 53.380 52.037 -0.071 0.000 0.611 203 A CB -0.131 18.828 19.000 -0.069 0.000 0.835 203 A HN 0.314 nan 8.150 nan 0.000 0.443 204 K N -2.015 118.349 120.400 -0.060 0.000 2.438 204 K HA 0.315 4.693 4.320 0.098 0.000 0.206 204 K C 0.627 177.195 176.600 -0.054 0.000 1.081 204 K CA 0.373 56.629 56.287 -0.053 0.000 1.053 204 K CB 0.699 33.173 32.500 -0.044 0.000 0.908 204 K HN 0.630 nan 8.250 nan 0.000 0.556 205 G N 2.215 110.974 108.800 -0.068 0.000 2.283 205 G HA2 -0.259 3.760 3.960 0.098 0.000 0.280 205 G HA3 -0.259 3.760 3.960 0.098 0.000 0.280 205 G C 0.140 175.004 174.900 -0.061 0.000 1.029 205 G CA 0.713 45.763 45.100 -0.084 0.000 0.840 205 G HN 0.268 nan 8.290 nan 0.000 0.505 206 V N -4.090 115.794 119.914 -0.050 0.000 3.155 206 V HA 0.931 5.109 4.120 0.098 0.000 0.313 206 V C 0.212 176.284 176.094 -0.037 0.000 1.162 206 V CA -0.880 61.397 62.300 -0.039 0.000 1.048 206 V CB 2.007 33.809 31.823 -0.034 0.000 1.092 206 V HN 1.352 nan 8.190 nan 0.000 0.447 207 c N 1.294 119.874 118.600 -0.034 0.000 3.171 207 c HA 0.620 5.248 4.570 0.098 0.000 0.336 207 c C 0.022 174.092 174.090 -0.033 0.000 1.198 207 c CA -0.552 55.759 56.329 -0.030 0.000 1.319 207 c CB 1.685 44.181 42.510 -0.023 0.000 1.682 207 c HN 1.182 nan 8.230 nan 0.000 0.497 208 R N 2.284 122.767 120.500 -0.028 0.000 2.784 208 R HA 0.241 4.640 4.340 0.098 0.000 0.266 208 R C 1.123 177.409 176.300 -0.023 0.000 1.044 208 R CA 0.699 56.786 56.100 -0.022 0.000 1.151 208 R CB 0.435 30.725 30.300 -0.017 0.000 1.037 208 R HN 0.899 nan 8.270 nan 0.000 0.478 209 S N -1.219 114.478 115.700 -0.006 0.000 2.622 209 S HA 0.017 4.545 4.470 0.098 0.000 0.236 209 S C 0.240 174.878 174.600 0.063 0.000 0.956 209 S CA -0.504 57.712 58.200 0.027 0.000 0.971 209 S CB -0.154 63.091 63.200 0.075 0.000 0.782 209 S HN 0.676 nan 8.310 nan 0.000 0.468 210 T N -0.924 113.632 114.554 0.003 0.000 2.876 210 T HA 0.808 5.217 4.350 0.098 0.000 0.289 210 T C -0.640 174.032 174.700 -0.047 0.000 1.014 210 T CA -0.769 61.289 62.100 -0.069 0.000 0.986 210 T CB 1.771 70.530 68.868 -0.182 0.000 1.021 210 T HN 0.355 nan 8.240 nan 0.000 0.458 211 A N 2.476 125.283 122.820 -0.022 0.000 2.273 211 A HA 0.713 5.092 4.320 0.098 0.000 0.315 211 A C -0.135 177.555 177.584 0.177 0.000 1.256 211 A CA -0.863 51.220 52.037 0.077 0.000 0.851 211 A CB 0.671 19.726 19.000 0.091 0.000 1.172 211 A HN 0.882 nan 8.150 nan 0.000 0.508 212 K N 2.763 123.267 120.400 0.173 0.000 2.413 212 K HA 0.666 5.044 4.320 0.098 0.000 0.257 212 K C -1.461 175.308 176.600 0.281 0.000 0.946 212 K CA -0.511 55.861 56.287 0.142 0.000 0.823 212 K CB 0.895 33.396 32.500 0.003 0.000 1.109 212 K HN 0.820 nan 8.250 nan 0.000 0.427 213 Y N -0.875 119.430 120.300 0.008 0.000 2.677 213 Y HA 0.455 5.063 4.550 0.097 0.000 0.334 213 Y C -1.585 174.337 175.900 0.036 0.000 1.196 213 Y CA -1.542 56.575 58.100 0.029 0.000 1.059 213 Y CB 0.837 39.324 38.460 0.044 0.000 1.315 213 Y HN 0.003 nan 8.280 nan 0.000 0.455 214 V N 2.983 122.960 119.914 0.105 0.000 2.385 214 V HA 0.565 4.743 4.120 0.098 0.000 0.269 214 V C -0.342 175.790 176.094 0.064 0.000 1.043 214 V CA -0.101 62.210 62.300 0.018 0.000 0.906 214 V CB 0.612 32.468 31.823 0.053 0.000 0.995 214 V HN 0.702 nan 8.190 nan 0.000 0.467 215 R N 4.633 125.110 120.500 -0.038 0.000 2.575 215 R HA 0.472 4.871 4.340 0.098 0.000 0.293 215 R C -0.027 176.284 176.300 0.020 0.000 0.983 215 R CA -0.434 55.698 56.100 0.054 0.000 0.887 215 R CB 0.644 31.001 30.300 0.094 0.000 1.184 215 R HN 0.608 nan 8.270 nan 0.000 0.445 216 N N 3.981 122.709 118.700 0.046 0.000 2.714 216 N HA -0.235 4.563 4.740 0.098 0.000 0.252 216 N C -0.984 174.529 175.510 0.005 0.000 1.014 216 N CA 1.343 54.407 53.050 0.024 0.000 0.735 216 N CB -1.071 37.424 38.487 0.013 0.000 0.924 216 N HN 0.857 nan 8.380 nan 0.000 0.540 217 N N -2.575 116.131 118.700 0.010 0.000 2.741 217 N HA -0.225 4.574 4.740 0.098 0.000 0.250 217 N C -0.853 174.651 175.510 -0.011 0.000 1.115 217 N CA 1.128 54.180 53.050 0.003 0.000 0.724 217 N CB -0.906 37.582 38.487 0.003 0.000 1.090 217 N HN 0.561 nan 8.380 nan 0.000 0.558 218 L N 0.310 121.518 121.223 -0.026 0.000 2.470 218 L HA 0.350 4.748 4.340 0.098 0.000 0.268 218 L C 0.003 176.824 176.870 -0.082 0.000 0.964 218 L CA -0.718 54.094 54.840 -0.046 0.000 0.839 218 L CB 1.779 43.805 42.059 -0.054 0.000 1.276 218 L HN 0.113 nan 8.230 nan 0.000 0.403 219 E N 3.102 123.261 120.200 -0.068 0.000 1.985 219 E HA 0.081 4.489 4.350 0.098 0.000 0.268 219 E C -0.731 175.784 176.600 -0.141 0.000 1.219 219 E CA 0.015 56.359 56.400 -0.092 0.000 0.942 219 E CB 0.348 30.024 29.700 -0.041 0.000 1.045 219 E HN 0.708 nan 8.360 nan 0.000 0.413 220 T N 3.130 117.515 114.554 -0.282 0.000 2.882 220 T HA 0.271 4.680 4.350 0.098 0.000 0.287 220 T C -0.405 174.129 174.700 -0.277 0.000 0.992 220 T CA -0.307 61.620 62.100 -0.288 0.000 1.076 220 T CB 1.196 69.826 68.868 -0.397 0.000 0.961 220 T HN 0.318 nan 8.240 nan 0.000 0.490 221 T N 3.534 118.009 114.554 -0.132 0.000 2.863 221 T HA 0.756 5.165 4.350 0.098 0.000 0.285 221 T C -0.831 173.805 174.700 -0.106 0.000 1.009 221 T CA -0.659 61.349 62.100 -0.153 0.000 0.989 221 T CB 1.498 70.248 68.868 -0.196 0.000 1.004 221 T HN 0.864 nan 8.240 nan 0.000 0.455 222 A N 2.493 125.219 122.820 -0.157 0.000 2.393 222 A HA 0.840 5.219 4.320 0.098 0.000 0.306 222 A C -1.462 176.009 177.584 -0.189 0.000 1.050 222 A CA -0.728 51.305 52.037 -0.005 0.000 0.724 222 A CB 0.810 19.916 19.000 0.177 0.000 1.248 222 A HN 0.669 nan 8.150 nan 0.000 0.424 223 F N 0.916 120.940 119.950 0.122 0.000 2.458 223 F HA 0.422 5.008 4.527 0.098 0.000 0.336 223 F C 0.559 176.423 175.800 0.105 0.000 1.114 223 F CA -0.547 57.511 58.000 0.098 0.000 0.987 223 F CB 1.348 40.385 39.000 0.062 0.000 1.130 223 F HN 0.744 nan 8.300 nan 0.000 0.458 224 H N 3.356 122.518 119.070 0.154 0.000 3.004 224 H HA 0.212 4.826 4.556 0.097 0.000 0.316 224 H C 0.860 176.185 175.328 -0.005 0.000 1.014 224 H CA 0.292 56.382 56.048 0.070 0.000 1.454 224 H CB 0.378 30.154 29.762 0.023 0.000 1.472 224 H HN 0.670 nan 8.280 nan 0.000 0.571 225 R N 2.669 122.816 120.500 -0.589 0.000 4.016 225 R HA -0.238 4.161 4.340 0.098 0.000 0.385 225 R C -0.488 175.526 176.300 -0.477 0.000 1.158 225 R CA 1.002 56.565 56.100 -0.895 0.000 1.117 225 R CB -1.314 28.326 30.300 -1.100 0.000 1.635 225 R HN 0.980 nan 8.270 nan 0.000 0.560 226 D N -0.436 119.905 120.400 -0.099 0.000 2.907 226 D HA -0.147 4.552 4.640 0.098 0.000 0.226 226 D C -0.594 175.672 176.300 -0.057 0.000 1.141 226 D CA 1.856 55.866 54.000 0.016 0.000 0.779 226 D CB -0.638 40.208 40.800 0.076 0.000 1.095 226 D HN 0.410 nan 8.370 nan 0.000 0.430 227 D N -0.433 119.941 120.400 -0.043 0.000 2.374 227 D HA 0.191 4.889 4.640 0.098 0.000 0.239 227 D C 0.703 177.042 176.300 0.064 0.000 0.991 227 D CA -0.553 53.452 54.000 0.009 0.000 0.960 227 D CB 0.694 41.498 40.800 0.007 0.000 1.284 227 D HN 0.171 nan 8.370 nan 0.000 0.512 228 H N -0.405 118.639 119.070 -0.043 0.000 3.016 228 H HA -0.031 4.584 4.556 0.098 0.000 0.345 228 H C 0.140 175.545 175.328 0.130 0.000 1.066 228 H CA 0.187 56.247 56.048 0.020 0.000 1.390 228 H CB 0.328 30.091 29.762 0.002 0.000 1.344 228 H HN 0.425 nan 8.280 nan 0.000 0.605 229 E N 1.744 121.990 120.200 0.076 0.000 2.465 229 E HA 0.052 4.461 4.350 0.098 0.000 0.260 229 E C -0.810 175.665 176.600 -0.207 0.000 0.980 229 E CA 0.140 56.545 56.400 0.008 0.000 0.927 229 E CB 0.378 30.139 29.700 0.102 0.000 0.934 229 E HN 0.713 nan 8.360 nan 0.000 0.459 230 T N 4.234 118.692 114.554 -0.160 0.000 2.879 230 T HA 0.177 4.586 4.350 0.098 0.000 0.290 230 T C -1.098 173.570 174.700 -0.054 0.000 0.993 230 T CA -0.973 61.041 62.100 -0.143 0.000 0.975 230 T CB 1.263 70.042 68.868 -0.150 0.000 0.981 230 T HN 0.361 nan 8.240 nan 0.000 0.439 231 D N 3.158 123.538 120.400 -0.034 0.000 2.417 231 D HA 0.265 4.963 4.640 0.098 0.000 0.250 231 D C -0.058 176.225 176.300 -0.027 0.000 1.166 231 D CA 0.473 54.458 54.000 -0.026 0.000 0.881 231 D CB 0.442 41.230 40.800 -0.019 0.000 1.164 231 D HN 0.410 nan 8.370 nan 0.000 0.467 232 M N 1.530 121.109 119.600 -0.034 0.000 2.393 232 M HA 0.356 4.894 4.480 0.098 0.000 0.316 232 M C 0.438 176.714 176.300 -0.041 0.000 1.087 232 M CA -0.987 54.289 55.300 -0.039 0.000 0.937 232 M CB 1.782 34.347 32.600 -0.058 0.000 1.668 232 M HN 0.297 nan 8.290 nan 0.000 0.438 233 E N 3.226 123.405 120.200 -0.036 0.000 2.392 233 E HA 0.459 4.868 4.350 0.098 0.000 0.264 233 E C -1.006 175.576 176.600 -0.031 0.000 1.024 233 E CA -0.167 56.216 56.400 -0.029 0.000 0.903 233 E CB 0.483 30.172 29.700 -0.019 0.000 0.963 233 E HN 0.681 nan 8.360 nan 0.000 0.432 234 L N 2.125 123.340 121.223 -0.013 0.000 2.312 234 L HA 0.454 4.853 4.340 0.098 0.000 0.281 234 L C 0.618 177.547 176.870 0.099 0.000 1.070 234 L CA -0.420 54.438 54.840 0.029 0.000 0.805 234 L CB 1.167 43.231 42.059 0.008 0.000 1.174 234 L HN 0.790 nan 8.230 nan 0.000 0.434 235 K N 2.600 123.094 120.400 0.156 0.000 2.395 235 K HA 0.696 5.074 4.320 0.098 0.000 0.247 235 K C -2.891 173.899 176.600 0.318 0.000 0.973 235 K CA -2.277 54.130 56.287 0.199 0.000 0.828 235 K CB 1.441 33.970 32.500 0.047 0.000 1.272 235 K HN 0.071 nan 8.250 nan 0.000 0.439 236 P HA -0.049 nan 4.420 nan 0.000 0.267 236 P C -0.493 176.809 177.300 0.004 0.000 1.200 236 P CA 0.090 63.159 63.100 -0.051 0.000 0.772 236 P CB 0.587 32.237 31.700 -0.083 0.000 0.855 237 A N 3.497 126.211 122.820 -0.176 0.000 2.433 237 A HA 0.061 4.439 4.320 0.098 0.000 0.250 237 A C 0.646 178.152 177.584 -0.129 0.000 1.113 237 A CA 0.097 52.008 52.037 -0.210 0.000 0.794 237 A CB -0.323 18.483 19.000 -0.323 0.000 1.067 237 A HN 0.544 nan 8.150 nan 0.000 0.510 238 N N -0.452 118.169 118.700 -0.132 0.000 2.424 238 N HA 0.406 5.205 4.740 0.098 0.000 0.257 238 N C 0.112 175.561 175.510 -0.103 0.000 1.250 238 N CA 0.562 53.564 53.050 -0.079 0.000 0.946 238 N CB 0.708 39.158 38.487 -0.061 0.000 1.175 238 N HN 0.788 nan 8.380 nan 0.000 0.477 239 A N 0.235 123.009 122.820 -0.076 0.000 2.492 239 A HA 0.524 4.902 4.320 0.098 0.000 0.254 239 A C -0.161 177.376 177.584 -0.078 0.000 1.091 239 A CA -0.156 51.834 52.037 -0.079 0.000 0.768 239 A CB -0.291 18.675 19.000 -0.057 0.000 1.028 239 A HN 0.667 nan 8.150 nan 0.000 0.498 240 A N 2.769 125.536 122.820 -0.088 0.000 2.459 240 A HA 0.689 5.067 4.320 0.098 0.000 0.296 240 A C 0.135 177.673 177.584 -0.077 0.000 1.039 240 A CA -0.036 51.954 52.037 -0.079 0.000 0.698 240 A CB 0.586 19.532 19.000 -0.090 0.000 1.261 240 A HN 1.519 nan 8.150 nan 0.000 0.405 241 T N -0.069 114.447 114.554 -0.062 0.000 2.926 241 T HA 0.465 4.874 4.350 0.098 0.000 0.307 241 T C 0.621 175.284 174.700 -0.063 0.000 1.059 241 T CA -0.044 62.021 62.100 -0.058 0.000 1.122 241 T CB 0.304 69.144 68.868 -0.046 0.000 0.972 241 T HN 0.906 nan 8.240 nan 0.000 0.545 242 R N -0.847 119.616 120.500 -0.062 0.000 3.641 242 R HA -0.153 4.246 4.340 0.098 0.000 0.286 242 R C 0.118 176.372 176.300 -0.077 0.000 1.153 242 R CA 1.019 57.081 56.100 -0.064 0.000 0.775 242 R CB -2.649 27.618 30.300 -0.056 0.000 1.215 242 R HN 1.064 nan 8.270 nan 0.000 0.474 243 T N -3.293 111.208 114.554 -0.089 0.000 2.912 243 T HA 0.622 5.031 4.350 0.098 0.000 0.288 243 T C 0.648 175.278 174.700 -0.118 0.000 1.030 243 T CA -0.353 61.684 62.100 -0.106 0.000 1.020 243 T CB 2.167 70.965 68.868 -0.118 0.000 1.056 243 T HN 0.153 nan 8.240 nan 0.000 0.480 244 S N 1.744 117.369 115.700 -0.125 0.000 2.640 244 S HA 0.465 4.993 4.470 0.098 0.000 0.262 244 S C 0.236 174.718 174.600 -0.197 0.000 1.232 244 S CA -1.148 56.972 58.200 -0.132 0.000 0.988 244 S CB 0.105 63.239 63.200 -0.110 0.000 1.034 244 S HN 0.785 nan 8.310 nan 0.000 0.569 245 R N 0.099 120.460 120.500 -0.233 0.000 2.340 245 R HA 0.550 4.949 4.340 0.098 0.000 0.300 245 R C 0.305 176.230 176.300 -0.625 0.000 1.069 245 R CA -0.064 55.746 56.100 -0.482 0.000 0.984 245 R CB 0.711 30.694 30.300 -0.528 0.000 1.003 245 R HN 0.793 nan 8.270 nan 0.000 0.459 246 G N 1.919 110.242 108.800 -0.794 0.000 2.574 246 G HA2 0.615 4.633 3.960 0.098 0.000 0.299 246 G HA3 0.615 4.633 3.960 0.098 0.000 0.299 246 G C -1.529 172.948 174.900 -0.704 0.000 1.298 246 G CA -0.558 44.211 45.100 -0.552 0.000 0.952 246 G HN 0.456 nan 8.290 nan 0.000 0.477 247 W N -0.255 121.015 121.300 -0.051 0.000 3.107 247 W HA 0.510 5.227 4.660 0.097 0.000 0.331 247 W C -0.186 176.386 176.519 0.088 0.000 1.204 247 W CA -0.637 56.730 57.345 0.037 0.000 1.184 247 W CB 2.118 31.587 29.460 0.014 0.000 1.421 247 W HN 0.998 nan 8.180 nan 0.000 0.544 248 H N -2.781 116.365 119.070 0.127 0.000 2.928 248 H HA 0.525 5.141 4.556 0.099 0.000 0.285 248 H C 0.305 175.641 175.328 0.014 0.000 1.438 248 H CA -0.179 55.880 56.048 0.019 0.000 1.176 248 H CB 2.012 31.752 29.762 -0.037 0.000 1.864 248 H HN 0.176 nan 8.280 nan 0.000 0.567 249 T N -2.760 111.695 114.554 -0.166 0.000 2.987 249 T HA 0.195 4.603 4.350 0.098 0.000 0.248 249 T C 0.674 175.198 174.700 -0.294 0.000 0.997 249 T CA 0.715 62.682 62.100 -0.222 0.000 1.013 249 T CB -0.117 68.662 68.868 -0.148 0.000 1.077 249 T HN 0.859 nan 8.240 nan 0.000 0.483 250 T N -1.051 113.334 114.554 -0.282 0.000 2.906 250 T HA 0.599 5.008 4.350 0.098 0.000 0.295 250 T C -0.591 174.073 174.700 -0.059 0.000 1.075 250 T CA -0.715 61.280 62.100 -0.174 0.000 1.005 250 T CB 2.482 71.236 68.868 -0.191 0.000 1.136 250 T HN -0.113 nan 8.240 nan 0.000 0.498 251 D N 0.233 120.647 120.400 0.022 0.000 2.514 251 D HA 0.256 4.955 4.640 0.098 0.000 0.249 251 D C 0.402 176.772 176.300 0.118 0.000 1.036 251 D CA 0.347 54.410 54.000 0.105 0.000 0.911 251 D CB 0.596 41.447 40.800 0.084 0.000 1.145 251 D HN 0.395 nan 8.370 nan 0.000 0.495 252 L N 1.477 122.776 121.223 0.127 0.000 2.334 252 L HA 0.288 4.687 4.340 0.098 0.000 0.272 252 L C 0.277 177.261 176.870 0.190 0.000 1.020 252 L CA -0.836 54.090 54.840 0.144 0.000 0.812 252 L CB 1.623 43.766 42.059 0.140 0.000 1.264 252 L HN -0.383 nan 8.230 nan 0.000 0.439 253 K N 1.312 121.818 120.400 0.176 0.000 2.218 253 K HA 0.179 4.557 4.320 0.098 0.000 0.276 253 K C -0.987 175.764 176.600 0.251 0.000 1.022 253 K CA -0.295 56.116 56.287 0.206 0.000 0.946 253 K CB 0.955 33.550 32.500 0.157 0.000 1.000 253 K HN 0.374 nan 8.250 nan 0.000 0.468 254 Y N 3.614 124.007 120.300 0.156 0.000 2.434 254 Y HA 0.220 4.828 4.550 0.096 0.000 0.341 254 Y C -0.590 175.400 175.900 0.150 0.000 0.965 254 Y CA -0.519 57.656 58.100 0.125 0.000 1.205 254 Y CB 0.487 38.985 38.460 0.063 0.000 1.121 254 Y HN 0.473 nan 8.280 nan 0.000 0.507 255 N N 7.029 125.486 118.700 -0.406 0.000 2.384 255 N HA 0.388 5.187 4.740 0.098 0.000 0.301 255 N C -2.919 172.308 175.510 -0.472 0.000 1.133 255 N CA -1.757 51.123 53.050 -0.284 0.000 0.853 255 N CB 1.552 40.007 38.487 -0.055 0.000 1.241 255 N HN 0.400 nan 8.380 nan 0.000 0.502 256 P HA 0.017 nan 4.420 nan 0.000 0.267 256 P C 0.000 177.359 177.300 0.098 0.000 1.205 256 P CA -0.012 63.068 63.100 -0.034 0.000 0.765 256 P CB 0.462 32.248 31.700 0.142 0.000 0.828 257 S N 2.938 118.634 115.700 -0.008 0.000 2.576 257 S HA 0.075 4.603 4.470 0.098 0.000 0.276 257 S C 1.497 175.896 174.600 -0.335 0.000 1.339 257 S CA -0.465 57.691 58.200 -0.073 0.000 1.039 257 S CB 0.356 63.505 63.200 -0.084 0.000 0.902 257 S HN 0.484 nan 8.310 nan 0.000 0.516 258 R N 2.727 122.800 120.500 -0.711 0.000 2.105 258 R HA -0.072 4.326 4.340 0.098 0.000 0.239 258 R C 1.622 177.467 176.300 -0.758 0.000 1.135 258 R CA 1.910 57.094 56.100 -1.525 0.000 0.967 258 R CB -0.702 28.948 30.300 -1.083 0.000 0.861 258 R HN 0.675 nan 8.270 nan 0.000 0.442 259 V N 1.656 121.317 119.914 -0.423 0.000 2.720 259 V HA -0.159 4.020 4.120 0.098 0.000 0.256 259 V C 0.667 176.610 176.094 -0.252 0.000 1.082 259 V CA 1.576 63.708 62.300 -0.280 0.000 1.101 259 V CB -0.485 31.224 31.823 -0.190 0.000 0.693 259 V HN 0.361 nan 8.190 nan 0.000 0.479 260 E N 0.500 120.564 120.200 -0.227 0.000 2.325 260 E HA 0.372 4.781 4.350 0.098 0.000 0.295 260 E C 1.499 178.053 176.600 -0.076 0.000 1.461 260 E CA 0.328 56.649 56.400 -0.130 0.000 1.698 260 E CB 0.435 30.120 29.700 -0.024 0.000 1.496 260 E HN 0.480 nan 8.360 nan 0.000 0.474 261 A N 0.972 123.706 122.820 -0.143 0.000 2.139 261 A HA -0.185 4.194 4.320 0.098 0.000 0.221 261 A C 1.382 179.093 177.584 0.213 0.000 1.159 261 A CA 1.001 53.030 52.037 -0.012 0.000 0.662 261 A CB -0.383 18.580 19.000 -0.061 0.000 0.796 261 A HN 0.333 nan 8.150 nan 0.000 0.463 262 F N -0.630 119.342 119.950 0.037 0.000 2.456 262 F HA 0.120 4.705 4.527 0.097 0.000 0.298 262 F C 1.533 177.389 175.800 0.093 0.000 1.104 262 F CA 0.549 58.583 58.000 0.056 0.000 1.435 262 F CB -1.067 37.958 39.000 0.042 0.000 1.078 262 F HN 0.528 nan 8.300 nan 0.000 0.546 263 H N -0.776 118.472 119.070 0.296 0.000 3.013 263 H HA 0.653 5.267 4.556 0.098 0.000 0.326 263 H C 0.703 176.184 175.328 0.255 0.000 0.973 263 H CA -0.870 55.340 56.048 0.269 0.000 1.369 263 H CB 0.753 30.665 29.762 0.251 0.000 1.598 263 H HN -0.184 nan 8.280 nan 0.000 0.518 264 R N 1.395 122.051 120.500 0.260 0.000 2.393 264 R HA 0.109 4.508 4.340 0.098 0.000 0.244 264 R C -1.066 175.198 176.300 -0.060 0.000 0.920 264 R CA -0.059 56.107 56.100 0.110 0.000 1.076 264 R CB -0.498 29.808 30.300 0.011 0.000 1.119 264 R HN 0.678 nan 8.270 nan 0.000 0.524 265 Y N -0.819 119.565 120.300 0.140 0.000 2.409 265 Y HA 0.623 5.231 4.550 0.096 0.000 0.343 265 Y C 0.812 176.819 175.900 0.179 0.000 0.973 265 Y CA -0.994 57.196 58.100 0.149 0.000 1.064 265 Y CB 2.269 40.817 38.460 0.146 0.000 1.207 265 Y HN -0.047 nan 8.280 nan 0.000 0.452 266 G N 0.844 109.837 108.800 0.322 0.000 2.482 266 G HA2 0.597 4.616 3.960 0.098 0.000 0.317 266 G HA3 0.597 4.616 3.960 0.098 0.000 0.317 266 G C -1.281 173.848 174.900 0.381 0.000 1.241 266 G CA -0.782 44.518 45.100 0.333 0.000 0.967 266 G HN 0.422 nan 8.290 nan 0.000 0.482 267 T N 1.268 116.092 114.554 0.450 0.000 2.812 267 T HA 0.638 5.047 4.350 0.098 0.000 0.282 267 T C -0.264 174.638 174.700 0.336 0.000 0.990 267 T CA -0.255 62.053 62.100 0.347 0.000 0.960 267 T CB 1.583 70.631 68.868 0.299 0.000 0.948 267 T HN 0.481 nan 8.240 nan 0.000 0.438 268 T N 2.329 117.074 114.554 0.319 0.000 2.856 268 T HA 0.656 5.065 4.350 0.098 0.000 0.283 268 T C -0.649 174.229 174.700 0.298 0.000 1.008 268 T CA -0.635 61.696 62.100 0.384 0.000 0.997 268 T CB 1.565 70.617 68.868 0.307 0.000 0.992 268 T HN 0.338 nan 8.240 nan 0.000 0.454 269 V N 3.389 123.492 119.914 0.314 0.000 2.482 269 V HA 0.480 4.658 4.120 0.098 0.000 0.295 269 V C -0.692 175.329 176.094 -0.122 0.000 1.026 269 V CA -0.904 61.445 62.300 0.081 0.000 0.856 269 V CB 1.679 33.562 31.823 0.101 0.000 1.001 269 V HN 0.801 nan 8.190 nan 0.000 0.424 270 N N 2.989 121.647 118.700 -0.069 0.000 2.476 270 N HA 0.284 5.082 4.740 0.098 0.000 0.257 270 N C -0.625 174.833 175.510 -0.086 0.000 0.970 270 N CA -0.236 52.760 53.050 -0.090 0.000 0.938 270 N CB 1.402 39.883 38.487 -0.011 0.000 1.144 270 N HN 0.716 nan 8.380 nan 0.000 0.500 271 c N 6.219 124.762 118.600 -0.095 0.000 2.540 271 c HA 0.471 5.099 4.570 0.098 0.000 0.377 271 c C 0.131 174.167 174.090 -0.090 0.000 1.274 271 c CA -0.504 55.773 56.329 -0.086 0.000 1.718 271 c CB -2.003 40.473 42.510 -0.057 0.000 2.391 271 c HN 0.568 nan 8.230 nan 0.000 0.565 272 I N 6.205 126.629 120.570 -0.244 0.000 2.474 272 I HA 0.522 4.751 4.170 0.098 0.000 0.294 272 I C -0.580 175.347 176.117 -0.316 0.000 1.005 272 I CA -0.521 60.590 61.300 -0.316 0.000 1.113 272 I CB 1.935 39.572 38.000 -0.604 0.000 1.289 272 I HN 0.237 nan 8.210 nan 0.000 0.436 273 V N 5.417 125.284 119.914 -0.078 0.000 2.525 273 V HA 0.391 4.569 4.120 0.098 0.000 0.299 273 V C -0.684 175.495 176.094 0.142 0.000 1.034 273 V CA -0.598 61.679 62.300 -0.037 0.000 0.863 273 V CB 1.792 33.624 31.823 0.016 0.000 0.999 273 V HN 0.712 nan 8.190 nan 0.000 0.423 274 E N 3.357 123.563 120.200 0.011 0.000 2.244 274 E HA 0.388 4.796 4.350 0.098 0.000 0.260 274 E C -1.024 175.591 176.600 0.025 0.000 0.884 274 E CA -0.676 55.751 56.400 0.046 0.000 0.777 274 E CB 2.506 32.200 29.700 -0.009 0.000 1.197 274 E HN 0.668 nan 8.360 nan 0.000 0.416 275 E N 1.963 122.234 120.200 0.118 0.000 2.351 275 E HA 0.153 4.561 4.350 0.098 0.000 0.266 275 E C -0.165 176.414 176.600 -0.034 0.000 1.031 275 E CA -0.069 56.367 56.400 0.061 0.000 0.911 275 E CB 0.784 30.562 29.700 0.129 0.000 0.986 275 E HN 0.271 nan 8.360 nan 0.000 0.446 276 V N 0.015 119.886 119.914 -0.071 0.000 2.876 276 V HA 0.385 4.564 4.120 0.098 0.000 0.312 276 V C -0.433 175.557 176.094 -0.174 0.000 1.085 276 V CA -1.313 60.910 62.300 -0.128 0.000 0.945 276 V CB 2.201 33.929 31.823 -0.158 0.000 1.017 276 V HN 0.381 nan 8.190 nan 0.000 0.428 277 D N 2.307 122.586 120.400 -0.202 0.000 2.345 277 D HA 0.635 5.334 4.640 0.098 0.000 0.247 277 D C 0.160 176.225 176.300 -0.393 0.000 1.108 277 D CA 0.546 54.382 54.000 -0.275 0.000 0.894 277 D CB 1.893 42.560 40.800 -0.222 0.000 1.203 277 D HN 1.120 nan 8.370 nan 0.000 0.430 278 A N 2.876 125.305 122.820 -0.651 0.000 2.356 278 A HA 0.787 5.166 4.320 0.098 0.000 0.323 278 A C -0.287 176.817 177.584 -0.800 0.000 1.119 278 A CA -0.723 50.789 52.037 -0.876 0.000 0.790 278 A CB 1.359 19.364 19.000 -1.657 0.000 1.273 278 A HN 0.528 nan 8.150 nan 0.000 0.452 279 R N 0.238 120.483 120.500 -0.425 0.000 2.604 279 R HA 0.671 5.070 4.340 0.098 0.000 0.281 279 R C -1.205 175.150 176.300 0.090 0.000 1.020 279 R CA -0.378 55.632 56.100 -0.150 0.000 0.899 279 R CB 2.317 32.534 30.300 -0.138 0.000 1.205 279 R HN 0.691 nan 8.270 nan 0.000 0.450 280 S N 1.677 117.552 115.700 0.292 0.000 2.548 280 S HA 0.608 5.137 4.470 0.098 0.000 0.276 280 S C -1.000 173.828 174.600 0.379 0.000 1.129 280 S CA -0.684 57.762 58.200 0.411 0.000 0.931 280 S CB 1.588 65.175 63.200 0.644 0.000 1.068 280 S HN 0.407 nan 8.310 nan 0.000 0.480 281 V N 2.990 122.964 119.914 0.100 0.000 2.715 281 V HA 0.654 4.833 4.120 0.098 0.000 0.310 281 V C -0.256 175.418 176.094 -0.701 0.000 1.054 281 V CA -1.102 61.098 62.300 -0.166 0.000 0.928 281 V CB 0.914 32.716 31.823 -0.035 0.000 1.007 281 V HN 0.946 nan 8.190 nan 0.000 0.437 282 Y N 4.666 124.204 120.300 -1.270 0.000 3.059 282 Y HA 0.082 4.690 4.550 0.096 0.000 0.343 282 Y C -1.532 174.124 175.900 -0.406 0.000 1.273 282 Y CA -0.067 57.443 58.100 -0.983 0.000 1.572 282 Y CB 0.720 38.942 38.460 -0.397 0.000 1.228 282 Y HN 0.631 nan 8.280 nan 0.000 0.610 283 P HA 0.038 nan 4.420 nan 0.000 0.253 283 P C -1.107 175.998 177.300 -0.327 0.000 1.260 283 P CA 0.642 63.175 63.100 -0.944 0.000 0.800 283 P CB -0.167 31.212 31.700 -0.535 0.000 1.162 284 Y N -1.055 119.202 120.300 -0.073 0.000 4.032 284 Y HA -0.213 4.395 4.550 0.098 0.000 0.230 284 Y C 0.266 176.231 175.900 0.108 0.000 1.202 284 Y CA 0.455 58.601 58.100 0.076 0.000 1.878 284 Y CB -2.940 35.608 38.460 0.147 0.000 1.586 284 Y HN 0.203 nan 8.280 nan 0.000 0.673 285 D N -0.301 120.183 120.400 0.140 0.000 2.388 285 D HA 0.197 4.895 4.640 0.098 0.000 0.221 285 D C 0.371 176.763 176.300 0.154 0.000 1.133 285 D CA 0.596 54.684 54.000 0.145 0.000 0.831 285 D CB 0.168 40.963 40.800 -0.008 0.000 0.962 285 D HN 0.647 nan 8.370 nan 0.000 0.502 286 E N -0.727 119.599 120.200 0.210 0.000 2.429 286 E HA 0.503 4.911 4.350 0.098 0.000 0.280 286 E C -1.149 175.632 176.600 0.301 0.000 1.068 286 E CA -1.181 55.342 56.400 0.205 0.000 0.837 286 E CB 1.119 30.910 29.700 0.152 0.000 1.357 286 E HN 0.075 nan 8.360 nan 0.000 0.455 287 F N -1.054 118.921 119.950 0.042 0.000 2.715 287 F HA 0.815 5.402 4.527 0.100 0.000 0.318 287 F C -1.131 174.495 175.800 -0.289 0.000 1.141 287 F CA -1.107 56.868 58.000 -0.041 0.000 0.950 287 F CB 1.245 40.300 39.000 0.091 0.000 1.374 287 F HN 0.470 nan 8.300 nan 0.000 0.477 288 V N -0.084 119.707 119.914 -0.205 0.000 3.040 288 V HA 0.795 4.974 4.120 0.098 0.000 0.312 288 V C -1.417 174.510 176.094 -0.278 0.000 1.115 288 V CA -1.116 60.889 62.300 -0.492 0.000 0.998 288 V CB 1.845 33.163 31.823 -0.841 0.000 1.042 288 V HN 0.961 nan 8.190 nan 0.000 0.433 289 L N 2.275 123.313 121.223 -0.308 0.000 2.322 289 L HA 0.708 5.107 4.340 0.098 0.000 0.269 289 L C 1.758 178.468 176.870 -0.267 0.000 1.012 289 L CA -0.462 54.215 54.840 -0.272 0.000 0.815 289 L CB 1.801 43.691 42.059 -0.283 0.000 1.295 289 L HN 0.879 nan 8.230 nan 0.000 0.438 290 A N 0.233 122.909 122.820 -0.240 0.000 2.084 290 A HA -0.185 4.193 4.320 0.098 0.000 0.221 290 A C 1.955 179.427 177.584 -0.187 0.000 1.161 290 A CA 2.280 54.197 52.037 -0.201 0.000 0.653 290 A CB -0.953 17.942 19.000 -0.176 0.000 0.802 290 A HN 0.919 nan 8.150 nan 0.000 0.457 291 T N -4.892 109.534 114.554 -0.213 0.000 3.113 291 T HA 0.378 4.786 4.350 0.098 0.000 0.256 291 T C 1.445 176.040 174.700 -0.175 0.000 1.131 291 T CA 1.129 63.111 62.100 -0.198 0.000 1.074 291 T CB 0.086 68.797 68.868 -0.262 0.000 0.944 291 T HN 1.672 nan 8.240 nan 0.000 0.516 292 G N 0.806 109.493 108.800 -0.188 0.000 2.195 292 G HA2 -0.164 3.855 3.960 0.098 0.000 0.224 292 G HA3 -0.164 3.855 3.960 0.098 0.000 0.224 292 G C -0.362 174.459 174.900 -0.131 0.000 0.990 292 G CA -0.103 44.906 45.100 -0.151 0.000 0.639 292 G HN 0.575 nan 8.290 nan 0.000 0.514 293 D N 0.361 120.661 120.400 -0.168 0.000 2.264 293 D HA 0.515 5.213 4.640 0.098 0.000 0.250 293 D C 0.122 176.328 176.300 -0.156 0.000 1.113 293 D CA -0.017 53.945 54.000 -0.064 0.000 0.871 293 D CB 0.910 41.678 40.800 -0.054 0.000 1.167 293 D HN 0.055 nan 8.370 nan 0.000 0.447 294 F N 0.835 120.686 119.950 -0.165 0.000 2.378 294 F HA 0.256 4.831 4.527 0.080 0.000 0.319 294 F C 0.612 176.093 175.800 -0.531 0.000 1.155 294 F CA -0.289 57.461 58.000 -0.416 0.000 1.157 294 F CB 1.117 39.765 39.000 -0.586 0.000 1.252 294 F HN -0.030 nan 8.300 nan 0.000 0.550 295 V N 2.634 122.179 119.914 -0.614 0.000 2.524 295 V HA 0.148 4.327 4.120 0.098 0.000 0.297 295 V C -1.116 174.690 176.094 -0.480 0.000 1.035 295 V CA -0.974 60.982 62.300 -0.573 0.000 0.867 295 V CB 1.306 32.521 31.823 -1.013 0.000 1.004 295 V HN 0.561 nan 8.190 nan 0.000 0.426 296 Y N 5.441 125.873 120.300 0.221 0.000 2.930 296 Y HA 0.565 5.169 4.550 0.091 0.000 0.386 296 Y C 0.361 176.377 175.900 0.193 0.000 1.185 296 Y CA 0.021 58.166 58.100 0.075 0.000 1.922 296 Y CB 0.222 38.578 38.460 -0.173 0.000 2.006 296 Y HN 0.600 nan 8.280 nan 0.000 0.431 297 M N 0.067 119.840 119.600 0.289 0.000 2.470 297 M HA 0.399 4.937 4.480 0.098 0.000 0.285 297 M C -0.949 175.587 176.300 0.393 0.000 1.213 297 M CA -0.703 54.785 55.300 0.313 0.000 0.901 297 M CB 1.954 34.706 32.600 0.255 0.000 1.718 297 M HN 0.030 nan 8.290 nan 0.000 0.469 298 S N 3.077 119.008 115.700 0.385 0.000 2.533 298 S HA 0.288 4.817 4.470 0.098 0.000 0.282 298 S C -1.965 172.835 174.600 0.334 0.000 1.304 298 S CA -0.983 57.444 58.200 0.379 0.000 1.063 298 S CB 0.672 64.104 63.200 0.386 0.000 0.881 298 S HN 0.594 nan 8.310 nan 0.000 0.493 299 P HA -0.074 nan 4.420 nan 0.000 0.220 299 P C 0.221 177.306 177.300 -0.359 0.000 1.144 299 P CA 1.387 64.067 63.100 -0.701 0.000 0.800 299 P CB -0.024 30.711 31.700 -1.608 0.000 0.772 300 F N -4.673 115.383 119.950 0.176 0.000 2.695 300 F HA 0.189 4.775 4.527 0.100 0.000 0.303 300 F C 1.167 177.260 175.800 0.488 0.000 1.091 300 F CA -0.856 57.249 58.000 0.175 0.000 1.300 300 F CB -0.705 38.262 39.000 -0.054 0.000 1.071 300 F HN -0.189 nan 8.300 nan 0.000 0.578 301 Y N 1.798 122.338 120.300 0.400 0.000 2.757 301 Y HA 0.367 4.976 4.550 0.099 0.000 0.344 301 Y C 0.642 176.588 175.900 0.077 0.000 1.263 301 Y CA 0.769 58.972 58.100 0.171 0.000 1.493 301 Y CB 0.155 38.601 38.460 -0.023 0.000 1.342 301 Y HN 0.158 nan 8.280 nan 0.000 0.627 302 G N 2.978 111.213 108.800 -0.943 0.000 2.321 302 G HA2 0.024 4.043 3.960 0.098 0.000 0.296 302 G HA3 0.024 4.043 3.960 0.098 0.000 0.296 302 G C -1.056 173.387 174.900 -0.762 0.000 1.287 302 G CA -0.389 44.186 45.100 -0.875 0.000 0.846 302 G HN 0.588 nan 8.290 nan 0.000 0.508 303 Y N 0.183 120.243 120.300 -0.399 0.000 2.500 303 Y HA 0.281 4.890 4.550 0.098 0.000 0.284 303 Y C 2.002 177.707 175.900 -0.324 0.000 1.118 303 Y CA -0.454 57.482 58.100 -0.273 0.000 1.241 303 Y CB 0.293 38.631 38.460 -0.204 0.000 1.171 303 Y HN 0.129 nan 8.280 nan 0.000 0.540 304 R N 1.963 122.265 120.500 -0.329 0.000 2.756 304 R HA 0.203 4.602 4.340 0.098 0.000 0.264 304 R C 0.923 177.092 176.300 -0.218 0.000 1.026 304 R CA 0.777 56.667 56.100 -0.350 0.000 1.121 304 R CB -0.102 29.803 30.300 -0.659 0.000 0.999 304 R HN 0.361 nan 8.270 nan 0.000 0.449 305 E N 0.398 120.541 120.200 -0.094 0.000 3.611 305 E HA -0.268 4.140 4.350 0.098 0.000 0.285 305 E C 1.217 177.828 176.600 0.018 0.000 1.520 305 E CA 1.538 57.940 56.400 0.002 0.000 2.203 305 E CB -1.678 28.083 29.700 0.102 0.000 2.008 305 E HN 0.861 nan 8.360 nan 0.000 0.455 306 G N -0.509 108.329 108.800 0.062 0.000 2.598 306 G HA2 0.111 4.130 3.960 0.098 0.000 0.215 306 G HA3 0.111 4.130 3.960 0.098 0.000 0.215 306 G C 1.863 176.816 174.900 0.089 0.000 1.131 306 G CA 2.020 47.162 45.100 0.069 0.000 0.785 306 G HN 1.903 nan 8.290 nan 0.000 0.539 307 S N 0.304 116.068 115.700 0.107 0.000 2.444 307 S HA -0.314 4.215 4.470 0.098 0.000 0.244 307 S C 1.979 176.551 174.600 -0.047 0.000 1.025 307 S CA 1.819 60.091 58.200 0.119 0.000 0.995 307 S CB -0.600 62.687 63.200 0.145 0.000 0.781 307 S HN 0.580 nan 8.310 nan 0.000 0.496 308 H N 1.848 120.825 119.070 -0.156 0.000 2.524 308 H HA 0.049 4.663 4.556 0.098 0.000 0.282 308 H C 1.964 177.273 175.328 -0.032 0.000 1.016 308 H CA 1.731 57.654 56.048 -0.208 0.000 1.270 308 H CB -0.326 29.382 29.762 -0.090 0.000 1.394 308 H HN 0.679 nan 8.280 nan 0.000 0.568 309 T N -2.233 112.328 114.554 0.012 0.000 3.144 309 T HA 0.101 4.509 4.350 0.098 0.000 0.249 309 T C 0.554 175.309 174.700 0.092 0.000 1.089 309 T CA -0.463 61.653 62.100 0.028 0.000 0.989 309 T CB 0.107 69.011 68.868 0.060 0.000 0.992 309 T HN 0.090 nan 8.240 nan 0.000 0.540 310 E N 1.876 122.172 120.200 0.160 0.000 2.410 310 E HA 0.142 4.550 4.350 0.098 0.000 0.255 310 E C -0.266 176.513 176.600 0.298 0.000 1.194 310 E CA -0.177 56.390 56.400 0.279 0.000 0.955 310 E CB 0.384 30.313 29.700 0.382 0.000 0.988 310 E HN 0.603 nan 8.360 nan 0.000 0.461 311 H N -0.605 118.562 119.070 0.162 0.000 2.652 311 H HA 0.223 4.837 4.556 0.097 0.000 0.349 311 H C -0.692 174.560 175.328 -0.126 0.000 1.099 311 H CA 0.494 56.563 56.048 0.035 0.000 1.417 311 H CB 0.766 30.550 29.762 0.038 0.000 1.457 311 H HN 0.205 nan 8.280 nan 0.000 0.568 312 T N 2.744 116.671 114.554 -1.044 0.000 2.956 312 T HA 0.257 4.665 4.350 0.098 0.000 0.312 312 T C 0.011 174.203 174.700 -0.847 0.000 1.151 312 T CA -0.590 61.012 62.100 -0.831 0.000 1.024 312 T CB 1.153 69.468 68.868 -0.923 0.000 1.140 312 T HN 0.633 nan 8.240 nan 0.000 0.473 313 S N 2.409 117.797 115.700 -0.519 0.000 2.540 313 S HA 0.302 4.831 4.470 0.098 0.000 0.218 313 S C -0.466 173.824 174.600 -0.517 0.000 0.977 313 S CA -0.129 57.777 58.200 -0.489 0.000 0.918 313 S CB -0.032 62.891 63.200 -0.462 0.000 0.806 313 S HN 0.660 nan 8.310 nan 0.000 0.496 314 Y N 1.351 121.570 120.300 -0.135 0.000 2.457 314 Y HA 0.673 5.279 4.550 0.094 0.000 0.333 314 Y C 0.516 176.378 175.900 -0.064 0.000 1.119 314 Y CA -1.385 56.674 58.100 -0.068 0.000 1.143 314 Y CB 0.642 39.085 38.460 -0.028 0.000 1.230 314 Y HN 0.035 nan 8.280 nan 0.000 0.469 315 A N 1.143 124.049 122.820 0.143 0.000 2.483 315 A HA 0.400 4.778 4.320 0.098 0.000 0.238 315 A C 1.421 179.082 177.584 0.129 0.000 1.070 315 A CA 0.242 52.336 52.037 0.096 0.000 0.770 315 A CB -0.189 18.860 19.000 0.082 0.000 1.008 315 A HN 1.082 nan 8.150 nan 0.000 0.497 316 A N 1.573 124.466 122.820 0.122 0.000 1.986 316 A HA -0.062 4.317 4.320 0.098 0.000 0.220 316 A C 1.893 179.583 177.584 0.177 0.000 1.171 316 A CA 2.684 54.829 52.037 0.181 0.000 0.640 316 A CB -1.546 17.550 19.000 0.160 0.000 0.811 316 A HN 1.206 nan 8.150 nan 0.000 0.451 317 D N -0.713 119.757 120.400 0.116 0.000 2.263 317 D HA -0.127 4.572 4.640 0.098 0.000 0.208 317 D C 2.116 178.458 176.300 0.069 0.000 0.971 317 D CA 1.332 55.380 54.000 0.081 0.000 0.867 317 D CB -0.497 40.341 40.800 0.064 0.000 0.929 317 D HN 0.663 nan 8.370 nan 0.000 0.492 318 R N -2.046 118.514 120.500 0.099 0.000 2.200 318 R HA 0.205 4.603 4.340 0.098 0.000 0.208 318 R C 0.136 176.479 176.300 0.071 0.000 1.033 318 R CA -0.058 56.078 56.100 0.060 0.000 1.000 318 R CB 0.144 30.466 30.300 0.037 0.000 0.906 318 R HN 0.497 nan 8.270 nan 0.000 0.462 319 F N 1.225 121.166 119.950 -0.016 0.000 2.458 319 F HA 0.407 4.992 4.527 0.096 0.000 0.330 319 F C -0.700 175.052 175.800 -0.080 0.000 1.082 319 F CA -0.578 57.410 58.000 -0.019 0.000 0.995 319 F CB 1.159 40.213 39.000 0.090 0.000 1.170 319 F HN -0.382 nan 8.300 nan 0.000 0.478 320 K N 3.624 123.324 120.400 -1.166 0.000 2.523 320 K HA 0.305 4.684 4.320 0.098 0.000 0.257 320 K C -1.716 174.157 176.600 -1.212 0.000 0.932 320 K CA -0.847 54.845 56.287 -0.991 0.000 0.812 320 K CB 2.226 33.998 32.500 -1.213 0.000 1.326 320 K HN 0.643 nan 8.250 nan 0.000 0.433 321 Q N 2.252 121.661 119.800 -0.652 0.000 2.310 321 Q HA 0.437 4.836 4.340 0.098 0.000 0.270 321 Q C -1.508 174.371 176.000 -0.201 0.000 1.025 321 Q CA -0.780 54.729 55.803 -0.489 0.000 0.772 321 Q CB 1.845 30.310 28.738 -0.455 0.000 1.253 321 Q HN 0.359 nan 8.270 nan 0.000 0.450 322 V N 4.278 124.085 119.914 -0.179 0.000 2.407 322 V HA 0.274 4.453 4.120 0.098 0.000 0.278 322 V C -0.707 175.400 176.094 0.022 0.000 1.037 322 V CA -0.366 61.928 62.300 -0.011 0.000 0.900 322 V CB 1.633 33.487 31.823 0.051 0.000 0.983 322 V HN 0.826 nan 8.190 nan 0.000 0.459 323 D N 2.853 123.293 120.400 0.068 0.000 2.217 323 D HA 0.591 5.290 4.640 0.098 0.000 0.248 323 D C 0.852 177.227 176.300 0.125 0.000 1.008 323 D CA 0.221 54.263 54.000 0.070 0.000 0.914 323 D CB 1.340 42.162 40.800 0.037 0.000 1.182 323 D HN 0.896 nan 8.370 nan 0.000 0.451 324 G N 0.851 109.716 108.800 0.109 0.000 2.314 324 G HA2 -0.276 3.743 3.960 0.098 0.000 0.292 324 G HA3 -0.276 3.743 3.960 0.098 0.000 0.292 324 G C -0.426 174.587 174.900 0.189 0.000 1.059 324 G CA -0.326 44.849 45.100 0.124 0.000 0.982 324 G HN 0.385 nan 8.290 nan 0.000 0.505 325 F N 1.028 120.963 119.950 -0.024 0.000 2.405 325 F HA 0.688 5.274 4.527 0.098 0.000 0.355 325 F C 0.037 175.787 175.800 -0.083 0.000 1.121 325 F CA -1.423 56.590 58.000 0.022 0.000 1.112 325 F CB 0.754 39.759 39.000 0.008 0.000 1.126 325 F HN 0.139 nan 8.300 nan 0.000 0.481 326 Y N 5.218 125.140 120.300 -0.630 0.000 2.342 326 Y HA 0.585 5.194 4.550 0.097 0.000 0.338 326 Y C 0.408 175.904 175.900 -0.673 0.000 0.965 326 Y CA -1.029 56.805 58.100 -0.442 0.000 1.159 326 Y CB 1.139 39.434 38.460 -0.275 0.000 1.157 326 Y HN 0.763 nan 8.280 nan 0.000 0.486 327 A N 4.730 127.428 122.820 -0.203 0.000 2.388 327 A HA 0.503 4.881 4.320 0.098 0.000 0.257 327 A C -0.083 177.480 177.584 -0.035 0.000 1.095 327 A CA -0.532 51.472 52.037 -0.055 0.000 0.791 327 A CB 0.397 19.506 19.000 0.181 0.000 1.029 327 A HN 0.868 nan 8.150 nan 0.000 0.489 328 R N 1.847 122.321 120.500 -0.044 0.000 2.445 328 R HA 0.232 4.630 4.340 0.098 0.000 0.308 328 R C -1.089 175.186 176.300 -0.043 0.000 0.961 328 R CA -0.574 55.501 56.100 -0.042 0.000 0.862 328 R CB 0.961 31.219 30.300 -0.070 0.000 1.144 328 R HN 0.855 nan 8.270 nan 0.000 0.447 329 D N 5.065 125.451 120.400 -0.024 0.000 2.317 329 D HA 0.021 4.719 4.640 0.098 0.000 0.252 329 D C 1.155 177.407 176.300 -0.079 0.000 1.174 329 D CA -0.026 53.960 54.000 -0.023 0.000 0.866 329 D CB 1.124 41.952 40.800 0.047 0.000 1.127 329 D HN 0.634 nan 8.370 nan 0.000 0.467 330 L N 2.970 124.035 121.223 -0.264 0.000 2.261 330 L HA -0.176 4.222 4.340 0.098 0.000 0.216 330 L C 2.081 178.933 176.870 -0.031 0.000 1.114 330 L CA 0.998 55.587 54.840 -0.417 0.000 0.777 330 L CB -0.053 41.160 42.059 -1.409 0.000 0.910 330 L HN 0.455 nan 8.230 nan 0.000 0.440 331 T N -2.587 112.093 114.554 0.209 0.000 2.988 331 T HA -0.080 4.328 4.350 0.098 0.000 0.240 331 T C 1.778 176.557 174.700 0.132 0.000 1.014 331 T CA 1.345 63.609 62.100 0.273 0.000 1.155 331 T CB -0.073 69.001 68.868 0.342 0.000 0.872 331 T HN 0.406 nan 8.240 nan 0.000 0.440 332 T N -0.015 114.601 114.554 0.103 0.000 3.113 332 T HA 0.188 4.597 4.350 0.098 0.000 0.256 332 T C 1.011 175.732 174.700 0.036 0.000 1.131 332 T CA 0.297 62.435 62.100 0.064 0.000 1.074 332 T CB -0.399 68.505 68.868 0.060 0.000 0.944 332 T HN 0.386 nan 8.240 nan 0.000 0.516 333 K N 0.047 120.461 120.400 0.022 0.000 3.445 333 K HA -0.196 4.183 4.320 0.098 0.000 0.316 333 K C 0.626 177.222 176.600 -0.006 0.000 1.278 333 K CA 0.477 56.761 56.287 -0.005 0.000 0.976 333 K CB -2.298 30.199 32.500 -0.005 0.000 1.238 333 K HN 0.737 nan 8.250 nan 0.000 0.430 334 A N 1.794 124.619 122.820 0.009 0.000 2.483 334 A HA 0.203 4.581 4.320 0.098 0.000 0.238 334 A C 0.377 177.964 177.584 0.004 0.000 1.070 334 A CA 0.076 52.119 52.037 0.010 0.000 0.770 334 A CB 0.280 19.295 19.000 0.024 0.000 1.008 334 A HN 0.327 nan 8.150 nan 0.000 0.497 335 R N 1.379 121.881 120.500 0.003 0.000 2.428 335 R HA 0.519 4.918 4.340 0.098 0.000 0.294 335 R C 0.252 176.588 176.300 0.059 0.000 1.000 335 R CA -0.123 55.982 56.100 0.009 0.000 0.960 335 R CB 1.017 31.300 30.300 -0.029 0.000 1.076 335 R HN 0.921 nan 8.270 nan 0.000 0.475 336 A N 1.789 124.665 122.820 0.094 0.000 2.531 336 A HA 0.031 4.410 4.320 0.098 0.000 0.236 336 A C 1.111 178.817 177.584 0.203 0.000 1.062 336 A CA 0.332 52.437 52.037 0.114 0.000 0.760 336 A CB 0.282 19.322 19.000 0.067 0.000 0.995 336 A HN 0.922 nan 8.150 nan 0.000 0.501 337 T N -0.919 113.712 114.554 0.128 0.000 3.081 337 T HA 0.482 4.890 4.350 0.098 0.000 0.250 337 T C 0.468 175.247 174.700 0.132 0.000 1.100 337 T CA 0.640 62.828 62.100 0.147 0.000 1.038 337 T CB -0.114 68.804 68.868 0.083 0.000 0.962 337 T HN 1.479 nan 8.240 nan 0.000 0.516 338 A N 1.972 124.800 122.820 0.013 0.000 2.393 338 A HA 0.766 5.145 4.320 0.098 0.000 0.306 338 A C -3.066 174.293 177.584 -0.375 0.000 1.050 338 A CA -1.976 49.993 52.037 -0.114 0.000 0.724 338 A CB 1.286 20.262 19.000 -0.041 0.000 1.248 338 A HN 0.141 nan 8.150 nan 0.000 0.424 339 P HA 0.443 nan 4.420 nan 0.000 0.274 339 P C -0.072 177.107 177.300 -0.202 0.000 1.231 339 P CA 0.088 62.800 63.100 -0.646 0.000 0.790 339 P CB 1.002 32.408 31.700 -0.488 0.000 0.951 340 T N -2.509 112.012 114.554 -0.055 0.000 2.916 340 T HA 0.461 4.869 4.350 0.098 0.000 0.292 340 T C -0.408 174.348 174.700 0.093 0.000 1.064 340 T CA -0.743 61.392 62.100 0.058 0.000 1.011 340 T CB 0.685 69.618 68.868 0.108 0.000 1.152 340 T HN 0.109 nan 8.240 nan 0.000 0.510 341 T N 2.297 116.909 114.554 0.097 0.000 2.723 341 T HA 0.402 4.810 4.350 0.098 0.000 0.297 341 T C 0.043 174.727 174.700 -0.026 0.000 0.925 341 T CA -0.331 61.805 62.100 0.060 0.000 1.030 341 T CB 0.004 68.946 68.868 0.125 0.000 0.905 341 T HN 0.530 nan 8.240 nan 0.000 0.502 342 R N 3.916 124.322 120.500 -0.157 0.000 2.215 342 R HA 0.280 4.679 4.340 0.098 0.000 0.337 342 R C -0.422 175.602 176.300 -0.460 0.000 1.010 342 R CA -0.588 55.298 56.100 -0.356 0.000 0.871 342 R CB -0.212 29.637 30.300 -0.753 0.000 1.134 342 R HN 0.354 nan 8.270 nan 0.000 0.477 343 N N 3.578 121.925 118.700 -0.589 0.000 2.497 343 N HA 0.201 4.999 4.740 0.098 0.000 0.268 343 N C -1.103 173.987 175.510 -0.700 0.000 1.171 343 N CA 0.209 52.748 53.050 -0.851 0.000 0.948 343 N CB 0.619 38.188 38.487 -1.532 0.000 1.069 343 N HN 0.389 nan 8.380 nan 0.000 0.460 344 L N 2.505 123.353 121.223 -0.625 0.000 2.441 344 L HA 0.467 4.865 4.340 0.098 0.000 0.270 344 L C -1.074 175.672 176.870 -0.206 0.000 0.973 344 L CA -0.557 54.127 54.840 -0.261 0.000 0.842 344 L CB 1.651 43.592 42.059 -0.197 0.000 1.239 344 L HN 0.307 nan 8.230 nan 0.000 0.406 345 L N 2.456 123.776 121.223 0.162 0.000 2.356 345 L HA 0.707 5.105 4.340 0.098 0.000 0.277 345 L C -0.397 176.525 176.870 0.087 0.000 0.996 345 L CA 0.227 55.179 54.840 0.187 0.000 0.822 345 L CB 2.199 44.527 42.059 0.450 0.000 1.256 345 L HN 0.497 nan 8.230 nan 0.000 0.413 346 T N 3.502 118.039 114.554 -0.028 0.000 2.781 346 T HA 0.459 4.868 4.350 0.098 0.000 0.305 346 T C 0.158 174.723 174.700 -0.225 0.000 1.001 346 T CA -0.261 61.800 62.100 -0.065 0.000 0.950 346 T CB 0.373 69.241 68.868 0.000 0.000 0.955 346 T HN 0.804 nan 8.240 nan 0.000 0.471 347 T N 1.423 115.733 114.554 -0.406 0.000 2.881 347 T HA 0.388 4.796 4.350 0.098 0.000 0.278 347 T C -1.829 172.684 174.700 -0.311 0.000 0.982 347 T CA -2.166 59.633 62.100 -0.502 0.000 0.989 347 T CB 0.895 69.260 68.868 -0.837 0.000 1.058 347 T HN 0.024 nan 8.240 nan 0.000 0.529 348 P HA -0.038 nan 4.420 nan 0.000 0.222 348 P C 1.033 178.305 177.300 -0.045 0.000 1.142 348 P CA 1.025 64.103 63.100 -0.036 0.000 0.788 348 P CB 0.126 31.843 31.700 0.028 0.000 0.767 349 K N -2.310 117.984 120.400 -0.176 0.000 2.464 349 K HA 0.249 4.628 4.320 0.098 0.000 0.206 349 K C 0.403 177.034 176.600 0.051 0.000 1.186 349 K CA 0.260 56.516 56.287 -0.051 0.000 0.990 349 K CB 0.859 33.390 32.500 0.052 0.000 1.003 349 K HN 0.249 nan 8.250 nan 0.000 0.562 350 F N -2.040 117.901 119.950 -0.015 0.000 2.799 350 F HA 0.377 4.958 4.527 0.091 0.000 0.316 350 F C -1.120 174.739 175.800 0.098 0.000 1.155 350 F CA -1.133 56.897 58.000 0.051 0.000 0.916 350 F CB 0.634 39.608 39.000 -0.044 0.000 1.294 350 F HN -0.364 nan 8.300 nan 0.000 0.447 351 T N 2.288 117.133 114.554 0.484 0.000 2.799 351 T HA 0.593 5.001 4.350 0.098 0.000 0.286 351 T C -0.978 174.113 174.700 0.652 0.000 0.973 351 T CA -0.589 61.769 62.100 0.430 0.000 1.035 351 T CB 1.480 70.540 68.868 0.320 0.000 0.932 351 T HN 0.788 nan 8.240 nan 0.000 0.469 352 V N 2.522 122.799 119.914 0.604 0.000 2.581 352 V HA 0.900 5.079 4.120 0.098 0.000 0.303 352 V C -0.901 175.599 176.094 0.676 0.000 1.041 352 V CA -0.647 62.022 62.300 0.614 0.000 0.907 352 V CB 1.361 33.547 31.823 0.605 0.000 0.994 352 V HN 1.077 nan 8.190 nan 0.000 0.442 353 A N 6.387 129.605 122.820 0.664 0.000 2.398 353 A HA 0.942 5.320 4.320 0.098 0.000 0.301 353 A C -1.256 176.724 177.584 0.660 0.000 1.041 353 A CA -0.488 51.887 52.037 0.564 0.000 0.711 353 A CB 1.119 20.344 19.000 0.374 0.000 1.240 353 A HN 1.601 nan 8.150 nan 0.000 0.420 354 W N 0.789 122.179 121.300 0.149 0.000 3.047 354 W HA 0.691 5.413 4.660 0.103 0.000 0.341 354 W C -1.511 175.066 176.519 0.097 0.000 1.225 354 W CA -0.900 56.527 57.345 0.137 0.000 1.150 354 W CB 0.760 30.333 29.460 0.189 0.000 1.470 354 W HN 0.447 nan 8.180 nan 0.000 0.578 355 D N 1.501 122.000 120.400 0.165 0.000 2.343 355 D HA 0.036 4.735 4.640 0.098 0.000 0.255 355 D C -0.925 175.396 176.300 0.034 0.000 1.187 355 D CA 0.256 54.288 54.000 0.053 0.000 0.875 355 D CB 0.613 41.482 40.800 0.115 0.000 1.136 355 D HN 0.513 nan 8.370 nan 0.000 0.469 356 W N 4.556 125.736 121.300 -0.200 0.000 2.304 356 W HA 0.331 5.049 4.660 0.096 0.000 0.313 356 W C -0.513 176.014 176.519 0.013 0.000 1.323 356 W CA -0.408 56.867 57.345 -0.116 0.000 1.223 356 W CB 0.428 29.794 29.460 -0.155 0.000 1.237 356 W HN 0.172 nan 8.180 nan 0.000 0.535 357 V N 5.361 124.815 119.914 -0.767 0.000 2.914 357 V HA 0.695 4.873 4.120 0.098 0.000 0.314 357 V C -2.322 172.960 176.094 -1.354 0.000 1.084 357 V CA -3.001 58.762 62.300 -0.896 0.000 0.963 357 V CB 1.601 33.243 31.823 -0.302 0.000 1.025 357 V HN 0.545 nan 8.190 nan 0.000 0.432 358 P HA 0.199 nan 4.420 nan 0.000 0.272 358 P C 0.090 176.979 177.300 -0.685 0.000 1.223 358 P CA -0.145 62.508 63.100 -0.745 0.000 0.784 358 P CB 1.536 33.008 31.700 -0.379 0.000 0.923 359 K N 2.405 122.298 120.400 -0.846 0.000 2.001 359 K HA -0.125 4.254 4.320 0.098 0.000 0.208 359 K C 2.253 178.364 176.600 -0.815 0.000 1.048 359 K CA 1.095 56.527 56.287 -1.426 0.000 0.932 359 K CB -0.112 31.644 32.500 -1.239 0.000 0.715 359 K HN 0.259 nan 8.250 nan 0.000 0.437 360 R N -0.005 120.209 120.500 -0.475 0.000 2.112 360 R HA -0.154 4.245 4.340 0.098 0.000 0.242 360 R C -0.781 175.359 176.300 -0.266 0.000 1.137 360 R CA 2.079 57.995 56.100 -0.307 0.000 0.944 360 R CB -1.271 28.913 30.300 -0.193 0.000 0.857 360 R HN 0.310 nan 8.270 nan 0.000 0.435 361 P HA 0.039 nan 4.420 nan 0.000 0.225 361 P C 0.739 177.947 177.300 -0.153 0.000 1.156 361 P CA 1.149 64.152 63.100 -0.163 0.000 0.787 361 P CB 0.268 31.886 31.700 -0.138 0.000 0.802 362 S N -1.208 114.340 115.700 -0.254 0.000 2.456 362 S HA 0.086 4.615 4.470 0.098 0.000 0.224 362 S C 1.061 175.574 174.600 -0.146 0.000 1.035 362 S CA 0.212 58.318 58.200 -0.156 0.000 0.940 362 S CB -0.286 62.807 63.200 -0.179 0.000 0.799 362 S HN -0.017 nan 8.310 nan 0.000 0.508 363 V N -1.606 118.095 119.914 -0.355 0.000 3.166 363 V HA 0.819 4.998 4.120 0.098 0.000 0.317 363 V C -0.312 175.711 176.094 -0.119 0.000 1.136 363 V CA -1.208 60.929 62.300 -0.272 0.000 1.035 363 V CB 1.350 32.790 31.823 -0.639 0.000 1.110 363 V HN 0.166 nan 8.190 nan 0.000 0.450 364 c N 0.724 119.322 118.600 -0.002 0.000 3.146 364 c HA 0.545 5.174 4.570 0.098 0.000 0.405 364 c C 0.938 175.091 174.090 0.105 0.000 1.012 364 c CA 0.412 56.763 56.329 0.037 0.000 1.217 364 c CB 1.243 43.783 42.510 0.050 0.000 1.599 364 c HN 1.244 nan 8.230 nan 0.000 0.567 365 T N 1.308 115.909 114.554 0.079 0.000 3.235 365 T HA 0.350 4.758 4.350 0.098 0.000 0.251 365 T C 0.281 174.996 174.700 0.026 0.000 1.060 365 T CA 0.098 62.236 62.100 0.064 0.000 0.949 365 T CB -0.184 68.687 68.868 0.005 0.000 1.020 365 T HN 0.559 nan 8.240 nan 0.000 0.564 366 M N 1.060 120.694 119.600 0.057 0.000 2.531 366 M HA 0.435 4.974 4.480 0.098 0.000 0.286 366 M C -1.272 175.154 176.300 0.211 0.000 1.232 366 M CA -0.328 55.032 55.300 0.100 0.000 0.877 366 M CB 2.497 35.127 32.600 0.050 0.000 1.726 366 M HN -0.040 nan 8.290 nan 0.000 0.463 367 T N 1.094 115.816 114.554 0.279 0.000 2.881 367 T HA 0.305 4.713 4.350 0.098 0.000 0.290 367 T C -0.478 174.380 174.700 0.264 0.000 1.000 367 T CA -0.762 61.499 62.100 0.269 0.000 0.978 367 T CB 2.086 71.045 68.868 0.152 0.000 0.997 367 T HN 0.608 nan 8.240 nan 0.000 0.443 368 K N 2.499 122.964 120.400 0.107 0.000 2.361 368 K HA -0.002 4.376 4.320 0.098 0.000 0.283 368 K C 0.270 176.834 176.600 -0.060 0.000 1.078 368 K CA -0.104 55.950 56.287 -0.389 0.000 1.041 368 K CB 0.190 32.509 32.500 -0.301 0.000 0.932 368 K HN 0.645 nan 8.250 nan 0.000 0.462 369 W N 3.738 124.888 121.300 -0.250 0.000 2.651 369 W HA 0.085 4.804 4.660 0.098 0.000 0.311 369 W C -0.194 176.269 176.519 -0.093 0.000 1.114 369 W CA 0.894 58.188 57.345 -0.084 0.000 1.490 369 W CB 0.315 29.791 29.460 0.027 0.000 1.182 369 W HN 0.450 nan 8.180 nan 0.000 0.495 370 Q N 1.315 120.935 119.800 -0.299 0.000 2.337 370 Q HA 0.229 4.627 4.340 0.098 0.000 0.270 370 Q C -1.363 174.475 176.000 -0.272 0.000 1.043 370 Q CA -0.414 55.107 55.803 -0.471 0.000 0.794 370 Q CB 1.960 30.209 28.738 -0.816 0.000 1.281 370 Q HN 0.257 nan 8.270 nan 0.000 0.446 371 E N 1.506 121.582 120.200 -0.207 0.000 2.115 371 E HA 0.342 4.750 4.350 0.098 0.000 0.282 371 E C -0.676 175.861 176.600 -0.105 0.000 0.987 371 E CA -0.457 55.865 56.400 -0.130 0.000 0.797 371 E CB 1.549 31.194 29.700 -0.091 0.000 1.086 371 E HN 0.171 nan 8.360 nan 0.000 0.397 372 V N 4.235 124.108 119.914 -0.067 0.000 2.348 372 V HA 0.006 4.185 4.120 0.098 0.000 0.270 372 V C 0.445 176.540 176.094 0.002 0.000 1.037 372 V CA -0.399 61.881 62.300 -0.033 0.000 0.872 372 V CB 1.075 32.904 31.823 0.009 0.000 1.002 372 V HN 0.652 nan 8.190 nan 0.000 0.464 373 D N 3.354 123.761 120.400 0.011 0.000 2.084 373 D HA -0.030 4.668 4.640 0.098 0.000 0.194 373 D C 1.213 177.567 176.300 0.091 0.000 0.990 373 D CA 1.904 55.944 54.000 0.066 0.000 0.826 373 D CB 0.226 41.061 40.800 0.058 0.000 0.971 373 D HN 0.787 nan 8.370 nan 0.000 0.453 374 E N 0.167 120.408 120.200 0.069 0.000 2.149 374 E HA 0.569 4.978 4.350 0.098 0.000 0.255 374 E C -0.995 175.659 176.600 0.090 0.000 0.888 374 E CA -0.619 55.829 56.400 0.080 0.000 0.742 374 E CB 0.759 30.504 29.700 0.076 0.000 1.164 374 E HN 0.061 nan 8.360 nan 0.000 0.422 375 M N 2.989 122.667 119.600 0.131 0.000 2.134 375 M HA 0.555 5.094 4.480 0.098 0.000 0.310 375 M C -1.763 174.711 176.300 0.291 0.000 0.966 375 M CA -0.874 54.566 55.300 0.234 0.000 0.922 375 M CB 1.082 33.883 32.600 0.336 0.000 1.537 375 M HN 0.425 nan 8.290 nan 0.000 0.424 376 L N 4.905 126.252 121.223 0.207 0.000 2.265 376 L HA 0.548 4.946 4.340 0.098 0.000 0.288 376 L C 0.129 177.038 176.870 0.064 0.000 1.058 376 L CA -0.468 54.470 54.840 0.163 0.000 0.809 376 L CB 0.939 43.037 42.059 0.064 0.000 1.179 376 L HN 0.690 nan 8.230 nan 0.000 0.429 377 R N 2.765 123.196 120.500 -0.115 0.000 2.265 377 R HA 0.524 4.923 4.340 0.098 0.000 0.319 377 R C -0.487 175.611 176.300 -0.337 0.000 1.006 377 R CA -0.159 55.522 56.100 -0.700 0.000 0.880 377 R CB 1.464 30.856 30.300 -1.513 0.000 1.077 377 R HN 0.799 nan 8.270 nan 0.000 0.454 378 S N 1.991 117.535 115.700 -0.261 0.000 2.632 378 S HA 0.345 4.873 4.470 0.098 0.000 0.289 378 S C -0.950 173.674 174.600 0.039 0.000 1.115 378 S CA -0.933 57.173 58.200 -0.156 0.000 0.889 378 S CB 2.083 65.105 63.200 -0.297 0.000 1.116 378 S HN 0.721 nan 8.310 nan 0.000 0.486 379 E N 0.379 120.626 120.200 0.078 0.000 2.191 379 E HA 0.498 4.907 4.350 0.098 0.000 0.274 379 E C -2.091 174.598 176.600 0.149 0.000 0.948 379 E CA -0.754 55.725 56.400 0.131 0.000 0.802 379 E CB 1.217 30.954 29.700 0.062 0.000 1.137 379 E HN 0.671 nan 8.360 nan 0.000 0.397 380 Y N 2.322 122.590 120.300 -0.053 0.000 2.294 380 Y HA 0.340 4.949 4.550 0.097 0.000 0.329 380 Y C 0.092 175.970 175.900 -0.038 0.000 1.135 380 Y CA 0.174 58.248 58.100 -0.044 0.000 1.213 380 Y CB 1.528 39.975 38.460 -0.020 0.000 1.141 380 Y HN 0.752 nan 8.280 nan 0.000 0.446 381 G N 2.873 111.465 108.800 -0.348 0.000 2.225 381 G HA2 0.073 4.091 3.960 0.098 0.000 0.264 381 G HA3 0.073 4.091 3.960 0.098 0.000 0.264 381 G C 0.834 175.649 174.900 -0.142 0.000 1.060 381 G CA 0.586 45.522 45.100 -0.273 0.000 0.833 381 G HN 2.046 nan 8.290 nan 0.000 0.498 382 G N -2.178 106.536 108.800 -0.144 0.000 2.256 382 G HA2 0.154 4.173 3.960 0.098 0.000 0.272 382 G HA3 0.154 4.173 3.960 0.098 0.000 0.272 382 G C 0.187 175.005 174.900 -0.136 0.000 1.076 382 G CA 0.763 45.777 45.100 -0.143 0.000 0.882 382 G HN 1.799 nan 8.290 nan 0.000 0.497 383 S N -1.350 114.265 115.700 -0.142 0.000 2.607 383 S HA 0.826 5.354 4.470 0.098 0.000 0.273 383 S C -1.051 173.473 174.600 -0.126 0.000 1.148 383 S CA -0.805 57.341 58.200 -0.090 0.000 0.833 383 S CB 1.648 64.880 63.200 0.054 0.000 1.130 383 S HN 0.336 nan 8.310 nan 0.000 0.470 384 F N 1.453 121.398 119.950 -0.009 0.000 2.458 384 F HA 0.611 5.197 4.527 0.097 0.000 0.330 384 F C 0.517 176.256 175.800 -0.100 0.000 1.082 384 F CA -1.077 56.808 58.000 -0.190 0.000 0.995 384 F CB 1.278 40.008 39.000 -0.450 0.000 1.170 384 F HN 0.321 nan 8.300 nan 0.000 0.478 385 R N 2.422 122.938 120.500 0.027 0.000 2.371 385 R HA 0.396 4.794 4.340 0.098 0.000 0.312 385 R C -1.693 174.548 176.300 -0.099 0.000 0.980 385 R CA -0.405 55.739 56.100 0.074 0.000 0.867 385 R CB 0.688 31.048 30.300 0.100 0.000 1.163 385 R HN 0.319 nan 8.270 nan 0.000 0.492 386 F N 1.896 121.903 119.950 0.095 0.000 2.350 386 F HA 0.271 4.857 4.527 0.098 0.000 0.365 386 F C 0.754 176.665 175.800 0.185 0.000 1.122 386 F CA -0.481 57.561 58.000 0.070 0.000 1.139 386 F CB 1.318 40.341 39.000 0.039 0.000 1.220 386 F HN 0.317 nan 8.300 nan 0.000 0.499 387 S N 1.811 117.685 115.700 0.290 0.000 2.501 387 S HA 0.664 5.193 4.470 0.098 0.000 0.301 387 S C -0.416 174.332 174.600 0.247 0.000 1.096 387 S CA -0.708 57.669 58.200 0.294 0.000 1.063 387 S CB 1.786 65.199 63.200 0.355 0.000 1.042 387 S HN 0.483 nan 8.310 nan 0.000 0.494 388 S N 1.593 117.381 115.700 0.147 0.000 2.456 388 S HA 0.292 4.821 4.470 0.098 0.000 0.316 388 S C 0.405 174.968 174.600 -0.063 0.000 1.089 388 S CA -0.559 57.662 58.200 0.036 0.000 1.101 388 S CB 1.207 64.374 63.200 -0.055 0.000 0.995 388 S HN 0.863 nan 8.310 nan 0.000 0.468 389 D N 4.519 124.947 120.400 0.047 0.000 2.144 389 D HA 0.001 4.699 4.640 0.098 0.000 0.200 389 D C 1.945 178.155 176.300 -0.149 0.000 0.978 389 D CA 1.608 55.631 54.000 0.040 0.000 0.833 389 D CB 0.009 40.858 40.800 0.083 0.000 0.961 389 D HN 0.669 nan 8.370 nan 0.000 0.470 390 A N 0.538 123.274 122.820 -0.140 0.000 1.873 390 A HA -0.048 4.331 4.320 0.098 0.000 0.215 390 A C 2.176 179.616 177.584 -0.240 0.000 1.186 390 A CA 1.402 53.345 52.037 -0.158 0.000 0.616 390 A CB -0.756 18.173 19.000 -0.118 0.000 0.823 390 A HN 0.508 nan 8.150 nan 0.000 0.442 391 I N -4.610 115.778 120.570 -0.302 0.000 3.875 391 I HA 0.251 4.480 4.170 0.098 0.000 0.329 391 I C 0.142 175.947 176.117 -0.519 0.000 1.295 391 I CA 0.414 61.502 61.300 -0.352 0.000 1.129 391 I CB -0.078 37.723 38.000 -0.332 0.000 1.008 391 I HN 0.053 nan 8.210 nan 0.000 0.413 392 S N 1.811 117.010 115.700 -0.836 0.000 3.711 392 S HA -0.147 4.382 4.470 0.098 0.000 0.374 392 S C 0.390 174.274 174.600 -1.194 0.000 0.969 392 S CA 1.053 58.320 58.200 -1.554 0.000 1.198 392 S CB -2.210 60.466 63.200 -0.872 0.000 0.903 392 S HN 0.934 nan 8.310 nan 0.000 0.493 393 T N -1.725 112.292 114.554 -0.894 0.000 2.921 393 T HA 0.663 5.071 4.350 0.098 0.000 0.297 393 T C -0.553 173.981 174.700 -0.277 0.000 1.013 393 T CA -0.676 61.089 62.100 -0.558 0.000 0.990 393 T CB 2.212 70.674 68.868 -0.677 0.000 1.023 393 T HN 0.028 nan 8.240 nan 0.000 0.447 394 T N 3.426 117.856 114.554 -0.206 0.000 2.770 394 T HA 0.575 4.984 4.350 0.098 0.000 0.283 394 T C -0.886 173.699 174.700 -0.193 0.000 0.988 394 T CA -0.372 61.719 62.100 -0.016 0.000 0.957 394 T CB 0.232 69.188 68.868 0.147 0.000 0.930 394 T HN 0.536 nan 8.240 nan 0.000 0.443 395 F N 1.619 121.661 119.950 0.153 0.000 2.422 395 F HA 0.472 5.058 4.527 0.097 0.000 0.333 395 F C 1.021 176.992 175.800 0.286 0.000 1.095 395 F CA -0.722 57.384 58.000 0.178 0.000 1.038 395 F CB 1.725 40.820 39.000 0.158 0.000 1.156 395 F HN 0.330 nan 8.300 nan 0.000 0.483 396 T N 1.459 116.317 114.554 0.506 0.000 2.770 396 T HA 0.525 4.934 4.350 0.098 0.000 0.283 396 T C -0.016 174.922 174.700 0.396 0.000 0.988 396 T CA -0.676 61.664 62.100 0.399 0.000 0.957 396 T CB 1.290 70.352 68.868 0.323 0.000 0.930 396 T HN 0.779 nan 8.240 nan 0.000 0.443 397 T N 1.097 115.884 114.554 0.389 0.000 2.626 397 T HA 0.597 5.005 4.350 0.098 0.000 0.279 397 T C -0.511 174.352 174.700 0.272 0.000 0.983 397 T CA -0.882 61.434 62.100 0.360 0.000 1.059 397 T CB 1.179 70.322 68.868 0.458 0.000 1.396 397 T HN 0.275 nan 8.240 nan 0.000 0.519 398 N N -0.264 118.603 118.700 0.278 0.000 2.491 398 N HA 0.515 5.313 4.740 0.098 0.000 0.279 398 N C 1.063 176.639 175.510 0.111 0.000 1.236 398 N CA -0.884 52.263 53.050 0.163 0.000 0.982 398 N CB 0.809 39.400 38.487 0.173 0.000 1.194 398 N HN 0.602 nan 8.380 nan 0.000 0.582 399 L N -0.288 120.892 121.223 -0.072 0.000 2.341 399 L HA 0.054 4.452 4.340 0.098 0.000 0.214 399 L C 0.897 177.874 176.870 0.179 0.000 1.115 399 L CA 0.607 55.307 54.840 -0.233 0.000 0.820 399 L CB -0.489 41.386 42.059 -0.307 0.000 0.944 399 L HN 0.530 nan 8.230 nan 0.000 0.452 400 T N -2.163 112.515 114.554 0.207 0.000 2.882 400 T HA 0.302 4.711 4.350 0.098 0.000 0.287 400 T C 0.066 174.936 174.700 0.282 0.000 0.992 400 T CA -0.811 61.418 62.100 0.215 0.000 1.076 400 T CB 1.470 70.409 68.868 0.119 0.000 0.961 400 T HN 0.044 nan 8.240 nan 0.000 0.490 401 E N 1.001 121.282 120.200 0.135 0.000 2.404 401 E HA 0.092 4.501 4.350 0.098 0.000 0.261 401 E C -0.989 175.651 176.600 0.066 0.000 1.074 401 E CA -0.403 55.959 56.400 -0.063 0.000 0.917 401 E CB 0.561 30.158 29.700 -0.172 0.000 0.965 401 E HN 0.677 nan 8.360 nan 0.000 0.433 402 Y N 2.624 122.907 120.300 -0.029 0.000 2.304 402 Y HA 0.193 4.802 4.550 0.098 0.000 0.328 402 Y C -2.084 173.801 175.900 -0.025 0.000 1.123 402 Y CA -2.461 55.644 58.100 0.008 0.000 1.218 402 Y CB 0.910 39.391 38.460 0.033 0.000 1.207 402 Y HN 0.253 nan 8.280 nan 0.000 0.495 403 P HA 0.093 nan 4.420 nan 0.000 0.284 403 P C 0.139 177.265 177.300 -0.290 0.000 1.343 403 P CA -0.239 62.657 63.100 -0.339 0.000 0.826 403 P CB 1.033 32.523 31.700 -0.349 0.000 0.956 404 L N 2.830 123.968 121.223 -0.141 0.000 2.351 404 L HA -0.208 4.190 4.340 0.098 0.000 0.220 404 L C 2.157 178.962 176.870 -0.108 0.000 1.127 404 L CA 1.911 56.679 54.840 -0.121 0.000 0.786 404 L CB -1.510 40.398 42.059 -0.253 0.000 0.914 404 L HN 0.344 nan 8.230 nan 0.000 0.443 405 S N -1.755 113.868 115.700 -0.128 0.000 2.507 405 S HA -0.160 4.368 4.470 0.098 0.000 0.235 405 S C 2.029 176.580 174.600 -0.082 0.000 0.988 405 S CA 0.581 58.721 58.200 -0.100 0.000 0.944 405 S CB -0.362 62.779 63.200 -0.099 0.000 0.762 405 S HN 0.461 nan 8.310 nan 0.000 0.526 406 R N 0.621 121.064 120.500 -0.095 0.000 2.312 406 R HA 0.251 4.650 4.340 0.098 0.000 0.205 406 R C -0.543 175.784 176.300 0.046 0.000 0.904 406 R CA 0.014 56.089 56.100 -0.042 0.000 1.052 406 R CB 0.328 30.564 30.300 -0.107 0.000 1.014 406 R HN 0.272 nan 8.270 nan 0.000 0.503 407 V N 2.929 122.872 119.914 0.048 0.000 2.387 407 V HA -0.025 4.154 4.120 0.098 0.000 0.260 407 V C -0.047 176.048 176.094 0.002 0.000 1.054 407 V CA -0.386 61.935 62.300 0.035 0.000 0.967 407 V CB 0.760 32.579 31.823 -0.006 0.000 1.036 407 V HN 0.084 nan 8.190 nan 0.000 0.481 408 D N 5.936 126.347 120.400 0.018 0.000 2.368 408 D HA 0.052 4.751 4.640 0.098 0.000 0.268 408 D C 0.607 176.942 176.300 0.057 0.000 1.298 408 D CA 0.317 54.347 54.000 0.051 0.000 0.938 408 D CB -0.066 40.785 40.800 0.086 0.000 1.101 408 D HN 0.571 nan 8.370 nan 0.000 0.509 409 L N 2.953 124.193 121.223 0.029 0.000 3.573 409 L HA -0.193 4.205 4.340 0.098 0.000 0.578 409 L C 0.783 177.637 176.870 -0.027 0.000 1.299 409 L CA 0.585 55.426 54.840 0.001 0.000 0.914 409 L CB -1.065 41.033 42.059 0.066 0.000 1.563 409 L HN 0.622 nan 8.230 nan 0.000 0.860 410 G N -1.064 107.696 108.800 -0.067 0.000 4.637 410 G HA2 0.318 4.336 3.960 0.098 0.000 0.294 410 G HA3 0.318 4.336 3.960 0.098 0.000 0.294 410 G C 0.546 175.366 174.900 -0.133 0.000 1.215 410 G CA -0.021 45.017 45.100 -0.103 0.000 0.943 410 G HN 0.348 nan 8.290 nan 0.000 0.572 411 D N 0.460 120.795 120.400 -0.107 0.000 2.104 411 D HA -0.180 4.518 4.640 0.098 0.000 0.194 411 D C 2.836 179.083 176.300 -0.088 0.000 0.994 411 D CA 1.844 55.782 54.000 -0.103 0.000 0.830 411 D CB -0.190 40.552 40.800 -0.096 0.000 0.959 411 D HN 0.472 nan 8.370 nan 0.000 0.452 412 c N 0.203 118.771 118.600 -0.053 0.000 2.409 412 c HA -0.066 4.563 4.570 0.098 0.000 0.284 412 c C 2.613 176.702 174.090 -0.002 0.000 1.354 412 c CA -0.335 55.998 56.329 0.006 0.000 1.787 412 c CB -1.608 40.942 42.510 0.066 0.000 1.900 412 c HN 0.243 nan 8.230 nan 0.000 0.520 413 I N 2.372 122.837 120.570 -0.175 0.000 2.052 413 I HA -0.095 4.134 4.170 0.098 0.000 0.235 413 I C 3.106 179.109 176.117 -0.190 0.000 1.046 413 I CA 2.109 63.124 61.300 -0.474 0.000 1.308 413 I CB -1.359 36.218 38.000 -0.706 0.000 1.031 413 I HN 0.453 nan 8.210 nan 0.000 0.395 414 G N 0.420 109.106 108.800 -0.189 0.000 2.476 414 G HA2 -0.373 3.645 3.960 0.098 0.000 0.218 414 G HA3 -0.373 3.645 3.960 0.098 0.000 0.218 414 G C 1.933 176.889 174.900 0.093 0.000 1.164 414 G CA 1.902 47.000 45.100 -0.004 0.000 0.768 414 G HN 0.444 nan 8.290 nan 0.000 0.560 415 K N 0.809 121.238 120.400 0.049 0.000 1.991 415 K HA -0.154 4.225 4.320 0.098 0.000 0.212 415 K C 2.167 178.845 176.600 0.130 0.000 1.049 415 K CA 2.197 58.528 56.287 0.073 0.000 0.932 415 K CB -1.274 31.253 32.500 0.045 0.000 0.717 415 K HN 0.339 nan 8.250 nan 0.000 0.441 416 D N -0.068 120.446 120.400 0.190 0.000 2.123 416 D HA -0.027 4.672 4.640 0.098 0.000 0.196 416 D C 2.201 178.679 176.300 0.297 0.000 0.992 416 D CA 1.669 55.828 54.000 0.265 0.000 0.833 416 D CB -0.310 40.745 40.800 0.424 0.000 0.954 416 D HN 0.559 nan 8.370 nan 0.000 0.455 417 A N 0.960 124.027 122.820 0.411 0.000 1.835 417 A HA -0.201 4.178 4.320 0.098 0.000 0.215 417 A C 2.135 179.832 177.584 0.187 0.000 1.199 417 A CA 1.606 53.861 52.037 0.363 0.000 0.615 417 A CB -0.600 18.698 19.000 0.497 0.000 0.838 417 A HN 0.098 nan 8.150 nan 0.000 0.444 418 R N -0.396 120.202 120.500 0.164 0.000 2.113 418 R HA -0.205 4.193 4.340 0.098 0.000 0.244 418 R C 1.829 178.173 176.300 0.072 0.000 1.142 418 R CA 1.825 57.981 56.100 0.093 0.000 0.953 418 R CB -0.636 29.713 30.300 0.081 0.000 0.860 418 R HN 0.511 nan 8.270 nan 0.000 0.438 419 D N 0.005 120.457 120.400 0.085 0.000 2.117 419 D HA -0.113 4.586 4.640 0.098 0.000 0.197 419 D C 1.803 178.141 176.300 0.062 0.000 0.987 419 D CA 1.626 55.667 54.000 0.068 0.000 0.829 419 D CB -0.172 40.671 40.800 0.072 0.000 0.961 419 D HN 0.311 nan 8.370 nan 0.000 0.460 420 A N -0.014 122.847 122.820 0.068 0.000 1.897 420 A HA -0.068 4.311 4.320 0.098 0.000 0.215 420 A C 2.144 179.755 177.584 0.045 0.000 1.181 420 A CA 0.931 52.997 52.037 0.048 0.000 0.620 420 A CB -0.490 18.530 19.000 0.033 0.000 0.821 420 A HN 0.152 nan 8.150 nan 0.000 0.443 421 M N -0.264 119.360 119.600 0.039 0.000 2.446 421 M HA -0.126 4.413 4.480 0.098 0.000 0.263 421 M C 0.721 177.045 176.300 0.040 0.000 1.066 421 M CA 1.138 56.448 55.300 0.016 0.000 1.087 421 M CB -0.216 32.370 32.600 -0.024 0.000 1.406 421 M HN 0.312 nan 8.290 nan 0.000 0.459 422 D N -0.790 119.641 120.400 0.052 0.000 2.277 422 D HA -0.024 4.674 4.640 0.098 0.000 0.209 422 D C 1.886 178.254 176.300 0.113 0.000 0.970 422 D CA 0.649 54.691 54.000 0.070 0.000 0.874 422 D CB -0.190 40.635 40.800 0.042 0.000 0.982 422 D HN 0.274 nan 8.370 nan 0.000 0.504 423 R N 0.712 121.265 120.500 0.088 0.000 2.092 423 R HA 0.018 4.417 4.340 0.098 0.000 0.231 423 R C 1.871 178.231 176.300 0.100 0.000 1.119 423 R CA 0.847 56.996 56.100 0.082 0.000 0.970 423 R CB -0.162 30.170 30.300 0.054 0.000 0.864 423 R HN 0.132 nan 8.270 nan 0.000 0.440 424 I N 0.112 120.753 120.570 0.117 0.000 2.406 424 I HA -0.173 4.056 4.170 0.098 0.000 0.249 424 I C 2.004 178.266 176.117 0.242 0.000 1.122 424 I CA 0.645 62.029 61.300 0.140 0.000 1.431 424 I CB -0.262 37.810 38.000 0.119 0.000 1.087 424 I HN 0.133 nan 8.210 nan 0.000 0.424 425 F N 2.014 122.033 119.950 0.114 0.000 2.014 425 F HA -0.264 4.321 4.527 0.097 0.000 0.295 425 F C 2.609 178.505 175.800 0.159 0.000 1.145 425 F CA 1.806 59.906 58.000 0.166 0.000 1.178 425 F CB -0.518 38.501 39.000 0.031 0.000 0.972 425 F HN 0.002 nan 8.300 nan 0.000 0.476 426 A N 0.565 123.561 122.820 0.294 0.000 1.958 426 A HA -0.319 4.059 4.320 0.098 0.000 0.221 426 A C 2.323 179.914 177.584 0.011 0.000 1.178 426 A CA 2.301 54.424 52.037 0.142 0.000 0.642 426 A CB -1.066 18.029 19.000 0.158 0.000 0.816 426 A HN 0.594 nan 8.150 nan 0.000 0.453 427 R N -1.251 119.263 120.500 0.024 0.000 2.062 427 R HA -0.045 4.353 4.340 0.098 0.000 0.231 427 R C 2.383 178.623 176.300 -0.100 0.000 1.136 427 R CA 1.737 57.823 56.100 -0.023 0.000 0.948 427 R CB -0.237 30.062 30.300 -0.002 0.000 0.845 427 R HN 0.456 nan 8.270 nan 0.000 0.430 428 R N -1.685 118.732 120.500 -0.138 0.000 2.250 428 R HA 0.062 4.460 4.340 0.098 0.000 0.194 428 R C 0.501 176.436 176.300 -0.609 0.000 0.927 428 R CA 0.361 56.244 56.100 -0.361 0.000 1.052 428 R CB 0.547 30.592 30.300 -0.425 0.000 1.055 428 R HN 0.284 nan 8.270 nan 0.000 0.537 429 Y N 0.587 120.624 120.300 -0.438 0.000 2.588 429 Y HA 0.103 4.711 4.550 0.097 0.000 0.247 429 Y C 1.280 176.626 175.900 -0.923 0.000 1.157 429 Y CA -0.460 57.248 58.100 -0.654 0.000 1.215 429 Y CB 0.173 38.124 38.460 -0.849 0.000 1.245 429 Y HN 0.120 nan 8.280 nan 0.000 0.534 430 N N 1.946 120.328 118.700 -0.530 0.000 2.242 430 N HA -0.189 4.609 4.740 0.098 0.000 0.191 430 N C 0.675 176.105 175.510 -0.133 0.000 1.005 430 N CA 1.549 54.427 53.050 -0.287 0.000 0.877 430 N CB -0.083 38.357 38.487 -0.078 0.000 0.983 430 N HN 0.240 nan 8.380 nan 0.000 0.439 431 A N -1.431 121.307 122.820 -0.137 0.000 3.355 431 A HA 0.589 4.968 4.320 0.098 0.000 0.290 431 A C 0.173 177.741 177.584 -0.026 0.000 0.973 431 A CA -0.457 51.552 52.037 -0.047 0.000 0.933 431 A CB 0.302 19.280 19.000 -0.037 0.000 1.138 431 A HN 0.251 nan 8.150 nan 0.000 0.490 432 T N -1.722 112.850 114.554 0.030 0.000 3.525 432 T HA 0.243 4.652 4.350 0.098 0.000 0.286 432 T C 0.511 175.295 174.700 0.140 0.000 0.944 432 T CA 0.557 62.737 62.100 0.134 0.000 1.063 432 T CB 0.002 69.048 68.868 0.297 0.000 1.179 432 T HN 0.542 nan 8.240 nan 0.000 0.493 433 H N -0.525 118.628 119.070 0.139 0.000 3.747 433 H HA 0.826 5.441 4.556 0.098 0.000 0.343 433 H C -1.406 174.047 175.328 0.209 0.000 1.692 433 H CA -1.005 55.149 56.048 0.178 0.000 1.262 433 H CB 0.983 30.863 29.762 0.197 0.000 1.557 433 H HN 0.011 nan 8.280 nan 0.000 0.722 434 I N 0.921 121.685 120.570 0.324 0.000 2.560 434 I HA 0.163 4.392 4.170 0.098 0.000 0.283 434 I C -0.973 175.216 176.117 0.120 0.000 1.115 434 I CA -0.562 60.822 61.300 0.140 0.000 1.066 434 I CB 1.485 39.479 38.000 -0.010 0.000 1.221 434 I HN 0.195 nan 8.210 nan 0.000 0.450 435 K N 4.746 125.143 120.400 -0.004 0.000 2.453 435 K HA 0.157 4.536 4.320 0.098 0.000 0.280 435 K C -0.246 176.416 176.600 0.103 0.000 1.045 435 K CA -0.023 56.227 56.287 -0.061 0.000 1.059 435 K CB 0.737 33.090 32.500 -0.244 0.000 0.901 435 K HN 0.296 nan 8.250 nan 0.000 0.475 436 V N 4.150 124.110 119.914 0.076 0.000 2.162 436 V HA 0.172 4.351 4.120 0.098 0.000 0.255 436 V C 0.946 176.938 176.094 -0.171 0.000 1.304 436 V CA 0.577 62.914 62.300 0.062 0.000 1.198 436 V CB -0.705 31.145 31.823 0.045 0.000 1.333 436 V HN 1.153 nan 8.190 nan 0.000 0.493 437 G N 4.491 113.172 108.800 -0.198 0.000 2.499 437 G HA2 -0.185 3.834 3.960 0.098 0.000 0.232 437 G HA3 -0.185 3.834 3.960 0.098 0.000 0.232 437 G C -0.404 174.426 174.900 -0.117 0.000 1.251 437 G CA -0.311 44.624 45.100 -0.274 0.000 0.917 437 G HN 0.530 nan 8.290 nan 0.000 0.580 438 Q N 0.817 120.561 119.800 -0.095 0.000 2.204 438 Q HA 0.547 4.946 4.340 0.098 0.000 0.254 438 Q C -2.398 173.559 176.000 -0.072 0.000 0.981 438 Q CA -1.706 54.062 55.803 -0.058 0.000 0.897 438 Q CB 1.440 30.169 28.738 -0.014 0.000 1.273 438 Q HN 0.380 nan 8.270 nan 0.000 0.464 439 P HA -0.080 nan 4.420 nan 0.000 0.266 439 P C -1.160 176.009 177.300 -0.218 0.000 1.195 439 P CA 0.542 63.538 63.100 -0.172 0.000 0.768 439 P CB 0.482 32.075 31.700 -0.178 0.000 0.838 440 Q N 1.116 120.749 119.800 -0.278 0.000 2.359 440 Q HA 0.570 4.969 4.340 0.098 0.000 0.275 440 Q C -1.152 174.493 176.000 -0.592 0.000 1.082 440 Q CA -0.550 55.095 55.803 -0.264 0.000 0.849 440 Q CB 1.597 30.332 28.738 -0.004 0.000 1.377 440 Q HN 0.396 nan 8.270 nan 0.000 0.452 441 Y N 0.458 120.590 120.300 -0.280 0.000 2.329 441 Y HA 0.425 5.034 4.550 0.098 0.000 0.328 441 Y C -1.365 174.346 175.900 -0.314 0.000 0.992 441 Y CA -0.732 57.264 58.100 -0.175 0.000 1.151 441 Y CB 1.138 39.560 38.460 -0.064 0.000 1.150 441 Y HN 0.476 nan 8.280 nan 0.000 0.450 442 Y N 2.753 123.134 120.300 0.135 0.000 2.446 442 Y HA 0.541 5.149 4.550 0.097 0.000 0.345 442 Y C -0.746 175.172 175.900 0.030 0.000 0.984 442 Y CA -1.296 56.876 58.100 0.120 0.000 1.058 442 Y CB 1.631 40.129 38.460 0.063 0.000 1.220 442 Y HN 0.470 nan 8.280 nan 0.000 0.455 443 L N 3.163 124.503 121.223 0.194 0.000 2.265 443 L HA 0.770 5.168 4.340 0.098 0.000 0.288 443 L C -0.125 176.821 176.870 0.127 0.000 1.058 443 L CA -0.316 54.530 54.840 0.011 0.000 0.809 443 L CB 0.121 42.040 42.059 -0.233 0.000 1.179 443 L HN 0.758 nan 8.230 nan 0.000 0.429 444 A N 4.275 127.173 122.820 0.130 0.000 2.303 444 A HA 0.571 4.950 4.320 0.098 0.000 0.317 444 A C -0.127 177.668 177.584 0.351 0.000 1.149 444 A CA -0.847 51.350 52.037 0.267 0.000 0.822 444 A CB 0.237 19.394 19.000 0.261 0.000 1.131 444 A HN 0.785 nan 8.150 nan 0.000 0.493 445 N N 0.217 119.150 118.700 0.388 0.000 2.283 445 N HA 0.265 5.064 4.740 0.098 0.000 0.236 445 N C 1.248 177.085 175.510 0.546 0.000 1.252 445 N CA 1.710 54.970 53.050 0.350 0.000 0.856 445 N CB 0.383 39.057 38.487 0.312 0.000 1.099 445 N HN 1.397 nan 8.380 nan 0.000 0.444 446 G N -0.591 108.371 108.800 0.269 0.000 2.258 446 G HA2 -0.140 3.878 3.960 0.098 0.000 0.233 446 G HA3 -0.140 3.878 3.960 0.098 0.000 0.233 446 G C 0.625 175.510 174.900 -0.024 0.000 1.006 446 G CA 0.323 45.622 45.100 0.332 0.000 0.620 446 G HN 1.541 nan 8.290 nan 0.000 0.511 447 G N -1.167 107.627 108.800 -0.009 0.000 2.145 447 G HA2 0.045 4.063 3.960 0.098 0.000 0.176 447 G HA3 0.045 4.063 3.960 0.098 0.000 0.176 447 G C -0.039 174.634 174.900 -0.378 0.000 1.013 447 G CA 0.165 45.112 45.100 -0.254 0.000 0.689 447 G HN 1.245 nan 8.290 nan 0.000 0.506 448 F N 0.074 120.042 119.950 0.029 0.000 2.361 448 F HA 0.633 5.218 4.527 0.098 0.000 0.364 448 F C 0.500 176.241 175.800 -0.099 0.000 1.117 448 F CA -1.281 56.703 58.000 -0.027 0.000 1.071 448 F CB 1.563 40.526 39.000 -0.062 0.000 1.188 448 F HN 0.082 nan 8.300 nan 0.000 0.464 449 L N 5.389 126.665 121.223 0.087 0.000 2.360 449 L HA 0.390 4.789 4.340 0.098 0.000 0.276 449 L C -0.455 176.498 176.870 0.137 0.000 1.121 449 L CA 0.204 55.079 54.840 0.058 0.000 0.845 449 L CB 0.004 42.074 42.059 0.019 0.000 1.143 449 L HN 0.442 nan 8.230 nan 0.000 0.452 450 I N 5.788 126.386 120.570 0.047 0.000 2.330 450 I HA 0.445 4.674 4.170 0.098 0.000 0.289 450 I C 0.169 176.343 176.117 0.095 0.000 1.001 450 I CA -0.574 60.708 61.300 -0.030 0.000 1.193 450 I CB 1.436 39.193 38.000 -0.405 0.000 1.345 450 I HN 0.736 nan 8.210 nan 0.000 0.461 451 A N 6.803 129.709 122.820 0.143 0.000 2.289 451 A HA 0.540 4.918 4.320 0.098 0.000 0.298 451 A C -1.311 176.262 177.584 -0.018 0.000 1.208 451 A CA -0.150 51.821 52.037 -0.111 0.000 0.845 451 A CB 0.342 19.367 19.000 0.041 0.000 1.125 451 A HN 0.647 nan 8.150 nan 0.000 0.517 452 Y N 1.649 121.828 120.300 -0.203 0.000 2.354 452 Y HA 0.495 5.103 4.550 0.097 0.000 0.330 452 Y C -0.388 175.489 175.900 -0.038 0.000 1.011 452 Y CA -0.610 57.485 58.100 -0.008 0.000 1.099 452 Y CB 2.038 40.648 38.460 0.252 0.000 1.179 452 Y HN 0.690 nan 8.280 nan 0.000 0.442 453 Q N 8.502 128.033 119.800 -0.447 0.000 2.400 453 Q HA 0.515 4.913 4.340 0.098 0.000 0.255 453 Q C -2.902 172.740 176.000 -0.598 0.000 1.008 453 Q CA -2.530 53.038 55.803 -0.391 0.000 0.841 453 Q CB 1.494 30.062 28.738 -0.283 0.000 1.220 453 Q HN 0.325 nan 8.270 nan 0.000 0.474 454 P HA 0.077 nan 4.420 nan 0.000 0.268 454 P C -0.843 176.381 177.300 -0.127 0.000 1.204 454 P CA 0.188 63.174 63.100 -0.190 0.000 0.768 454 P CB 0.710 32.445 31.700 0.057 0.000 0.842 455 L N 2.675 123.850 121.223 -0.080 0.000 2.341 455 L HA 0.732 5.130 4.340 0.098 0.000 0.267 455 L C -0.439 176.520 176.870 0.148 0.000 1.022 455 L CA -1.122 53.721 54.840 0.006 0.000 0.844 455 L CB 1.255 43.249 42.059 -0.109 0.000 1.436 455 L HN 0.199 nan 8.230 nan 0.000 0.483 456 L N -0.324 121.057 121.223 0.264 0.000 2.565 456 L HA 0.341 4.740 4.340 0.098 0.000 0.261 456 L C -0.541 176.445 176.870 0.193 0.000 0.932 456 L CA 0.105 55.092 54.840 0.244 0.000 0.878 456 L CB 2.062 44.246 42.059 0.209 0.000 1.333 456 L HN 0.515 nan 8.230 nan 0.000 0.409 457 S N 2.778 118.485 115.700 0.011 0.000 2.572 457 S HA 0.175 4.703 4.470 0.098 0.000 0.279 457 S C 1.089 175.571 174.600 -0.197 0.000 1.341 457 S CA -0.023 57.933 58.200 -0.406 0.000 1.043 457 S CB 0.485 63.523 63.200 -0.270 0.000 0.887 457 S HN 0.811 nan 8.310 nan 0.000 0.516 458 N N 2.622 121.183 118.700 -0.232 0.000 2.120 458 N HA -0.092 4.706 4.740 0.098 0.000 0.188 458 N C 1.735 177.206 175.510 -0.066 0.000 1.024 458 N CA 1.666 54.659 53.050 -0.095 0.000 0.852 458 N CB -1.118 37.326 38.487 -0.071 0.000 1.003 458 N HN 0.700 nan 8.380 nan 0.000 0.424 459 T N 1.768 116.273 114.554 -0.082 0.000 2.594 459 T HA -0.166 4.242 4.350 0.098 0.000 0.266 459 T C 1.411 176.100 174.700 -0.018 0.000 1.070 459 T CA 1.185 63.259 62.100 -0.043 0.000 1.166 459 T CB -0.359 68.483 68.868 -0.042 0.000 0.862 459 T HN 0.251 nan 8.240 nan 0.000 0.436 460 L N 0.929 122.145 121.223 -0.012 0.000 2.805 460 L HA 0.416 4.814 4.340 0.098 0.000 0.237 460 L C 2.263 179.155 176.870 0.037 0.000 1.252 460 L CA -0.334 54.518 54.840 0.021 0.000 1.064 460 L CB -0.588 41.494 42.059 0.038 0.000 1.361 460 L HN 0.158 nan 8.230 nan 0.000 0.474 461 A N 0.514 123.344 122.820 0.017 0.000 2.148 461 A HA -0.229 4.150 4.320 0.098 0.000 0.222 461 A C 2.063 179.681 177.584 0.058 0.000 1.161 461 A CA 1.852 53.900 52.037 0.019 0.000 0.662 461 A CB -0.187 18.807 19.000 -0.009 0.000 0.799 461 A HN 0.578 nan 8.150 nan 0.000 0.466 462 E N -0.204 120.035 120.200 0.065 0.000 2.086 462 E HA 0.039 4.448 4.350 0.098 0.000 0.190 462 E C 1.675 178.347 176.600 0.120 0.000 0.975 462 E CA 0.536 56.985 56.400 0.082 0.000 0.813 462 E CB -0.473 29.261 29.700 0.056 0.000 0.768 462 E HN 0.520 nan 8.360 nan 0.000 0.457 463 L N 0.671 121.962 121.223 0.113 0.000 2.357 463 L HA -0.245 4.154 4.340 0.098 0.000 0.220 463 L C 1.970 178.940 176.870 0.167 0.000 1.123 463 L CA 0.768 55.679 54.840 0.118 0.000 0.782 463 L CB -0.302 41.820 42.059 0.104 0.000 0.910 463 L HN 0.200 nan 8.230 nan 0.000 0.442 464 Y N 0.363 120.699 120.300 0.061 0.000 1.997 464 Y HA -0.409 4.199 4.550 0.097 0.000 0.265 464 Y C 2.360 178.317 175.900 0.096 0.000 1.193 464 Y CA 2.383 60.533 58.100 0.084 0.000 1.106 464 Y CB -0.878 37.625 38.460 0.072 0.000 0.940 464 Y HN -0.043 nan 8.280 nan 0.000 0.494 465 V N 0.017 119.941 119.914 0.017 0.000 2.546 465 V HA -0.331 3.847 4.120 0.098 0.000 0.254 465 V C 2.707 178.759 176.094 -0.070 0.000 1.076 465 V CA 2.445 64.676 62.300 -0.114 0.000 1.087 465 V CB -1.910 29.895 31.823 -0.031 0.000 0.674 465 V HN 0.557 nan 8.190 nan 0.000 0.470 466 R N 0.187 120.686 120.500 -0.002 0.000 2.060 466 R HA -0.087 4.312 4.340 0.098 0.000 0.225 466 R C 2.186 178.505 176.300 0.030 0.000 1.155 466 R CA 1.579 57.690 56.100 0.019 0.000 0.930 466 R CB -1.086 29.237 30.300 0.039 0.000 0.829 466 R HN 0.526 nan 8.270 nan 0.000 0.433 467 E N -0.054 120.174 120.200 0.047 0.000 2.208 467 E HA -0.133 4.276 4.350 0.098 0.000 0.193 467 E C 1.932 178.565 176.600 0.054 0.000 0.988 467 E CA 0.857 57.293 56.400 0.060 0.000 0.828 467 E CB -0.317 29.430 29.700 0.078 0.000 0.763 467 E HN 0.686 nan 8.360 nan 0.000 0.478 468 H N 1.265 120.261 119.070 -0.124 0.000 2.289 468 H HA -0.174 4.441 4.556 0.098 0.000 0.296 468 H C 2.249 177.517 175.328 -0.100 0.000 1.091 468 H CA 1.582 57.517 56.048 -0.188 0.000 1.274 468 H CB -0.363 29.108 29.762 -0.486 0.000 1.364 468 H HN 0.148 nan 8.280 nan 0.000 0.490 469 L N 1.019 122.343 121.223 0.168 0.000 2.013 469 L HA -0.169 4.229 4.340 0.098 0.000 0.212 469 L C 2.747 179.674 176.870 0.094 0.000 1.073 469 L CA 1.970 56.877 54.840 0.113 0.000 0.753 469 L CB -0.610 41.468 42.059 0.032 0.000 0.890 469 L HN 0.072 nan 8.230 nan 0.000 0.432 470 R N -0.258 120.289 120.500 0.078 0.000 2.120 470 R HA -0.118 4.280 4.340 0.098 0.000 0.234 470 R C 2.131 178.491 176.300 0.100 0.000 1.123 470 R CA 1.152 57.301 56.100 0.082 0.000 0.975 470 R CB -0.339 30.010 30.300 0.082 0.000 0.866 470 R HN 0.441 nan 8.270 nan 0.000 0.446 471 E N 0.386 120.636 120.200 0.083 0.000 2.072 471 E HA -0.170 4.239 4.350 0.098 0.000 0.191 471 E C 1.922 178.572 176.600 0.083 0.000 0.985 471 E CA 1.153 57.606 56.400 0.088 0.000 0.801 471 E CB -0.184 29.523 29.700 0.010 0.000 0.750 471 E HN 0.527 nan 8.360 nan 0.000 0.452 472 Q N 0.559 120.397 119.800 0.062 0.000 2.135 472 Q HA -0.159 4.240 4.340 0.098 0.000 0.204 472 Q C 2.437 178.478 176.000 0.069 0.000 0.981 472 Q CA 1.709 57.551 55.803 0.064 0.000 0.856 472 Q CB -0.469 28.319 28.738 0.083 0.000 0.902 472 Q HN 0.334 nan 8.270 nan 0.000 0.425 473 S N 1.362 117.107 115.700 0.076 0.000 2.407 473 S HA -0.257 4.272 4.470 0.098 0.000 0.235 473 S C 1.936 176.584 174.600 0.081 0.000 1.036 473 S CA 1.718 59.960 58.200 0.070 0.000 1.013 473 S CB -0.326 62.916 63.200 0.071 0.000 0.820 473 S HN 0.220 nan 8.310 nan 0.000 0.476 474 R N 0.677 121.244 120.500 0.112 0.000 2.093 474 R HA 0.107 4.506 4.340 0.098 0.000 0.224 474 R C 0.335 176.681 176.300 0.077 0.000 1.101 474 R CA 0.395 56.576 56.100 0.135 0.000 0.979 474 R CB -0.057 30.382 30.300 0.232 0.000 0.877 474 R HN 0.327 nan 8.270 nan 0.000 0.441 475 K N 2.237 122.672 120.400 0.057 0.000 2.405 475 K HA -0.033 4.346 4.320 0.098 0.000 0.273 475 K C -2.233 174.379 176.600 0.020 0.000 1.116 475 K CA -0.727 55.580 56.287 0.032 0.000 1.155 475 K CB -0.019 32.501 32.500 0.032 0.000 0.858 475 K HN -0.048 nan 8.250 nan 0.000 0.477 476 P HA -0.088 nan 4.420 nan 0.000 0.269 476 P C -2.047 175.245 177.300 -0.013 0.000 1.200 476 P CA -0.555 62.536 63.100 -0.015 0.000 0.779 476 P CB -0.127 31.548 31.700 -0.042 0.000 0.841 493 E N 4.135 124.355 120.200 0.033 0.000 2.447 493 E HA 0.756 5.164 4.350 0.098 0.000 0.251 493 E C -1.001 175.587 176.600 -0.020 0.000 0.910 493 E CA -1.459 54.950 56.400 0.015 0.000 0.841 493 E CB 2.399 32.115 29.700 0.028 0.000 1.403 493 E HN 0.730 nan 8.360 nan 0.000 0.400 494 R N 0.374 120.832 120.500 -0.071 0.000 2.561 494 R HA 0.447 4.845 4.340 0.098 0.000 0.297 494 R C -0.603 175.632 176.300 -0.109 0.000 0.969 494 R CA -0.728 55.299 56.100 -0.122 0.000 0.879 494 R CB 1.617 31.770 30.300 -0.244 0.000 1.178 494 R HN 0.467 nan 8.270 nan 0.000 0.445 495 I N 3.525 124.024 120.570 -0.118 0.000 2.556 495 I HA 0.068 4.297 4.170 0.098 0.000 0.284 495 I C 0.311 176.332 176.117 -0.161 0.000 1.114 495 I CA 0.195 61.406 61.300 -0.149 0.000 1.418 495 I CB 0.408 38.292 38.000 -0.193 0.000 1.394 495 I HN 0.164 nan 8.210 nan 0.000 0.552 496 K N 4.540 124.842 120.400 -0.163 0.000 2.164 496 K HA 0.574 4.952 4.320 0.098 0.000 0.258 496 K C -0.651 175.807 176.600 -0.238 0.000 0.951 496 K CA -0.595 55.588 56.287 -0.174 0.000 0.844 496 K CB 1.935 34.354 32.500 -0.134 0.000 1.099 496 K HN 0.469 nan 8.250 nan 0.000 0.435 497 T N 0.640 115.027 114.554 -0.279 0.000 2.848 497 T HA 0.163 4.571 4.350 0.098 0.000 0.285 497 T C -0.107 174.409 174.700 -0.307 0.000 0.995 497 T CA -0.509 61.327 62.100 -0.441 0.000 0.970 497 T CB 1.768 70.276 68.868 -0.600 0.000 0.976 497 T HN 0.479 nan 8.240 nan 0.000 0.441 498 T N 1.448 115.849 114.554 -0.255 0.000 2.932 498 T HA 0.079 4.487 4.350 0.098 0.000 0.312 498 T C 1.545 176.230 174.700 -0.024 0.000 1.071 498 T CA -0.058 61.995 62.100 -0.079 0.000 1.128 498 T CB 0.353 69.231 68.868 0.016 0.000 0.984 498 T HN 0.534 nan 8.240 nan 0.000 0.549 499 S N 1.996 117.696 115.700 -0.000 0.000 2.447 499 S HA 0.024 4.553 4.470 0.098 0.000 0.233 499 S C 0.879 175.532 174.600 0.087 0.000 1.006 499 S CA 0.749 58.958 58.200 0.015 0.000 0.957 499 S CB -0.084 63.123 63.200 0.011 0.000 0.773 499 S HN 0.878 nan 8.310 nan 0.000 0.507 500 S N 0.569 116.365 115.700 0.159 0.000 2.449 500 S HA 0.503 5.031 4.470 0.098 0.000 0.310 500 S C -0.043 174.772 174.600 0.358 0.000 1.096 500 S CA -0.726 57.598 58.200 0.207 0.000 1.095 500 S CB 1.370 64.671 63.200 0.168 0.000 1.007 500 S HN 0.091 nan 8.310 nan 0.000 0.474 501 I N 2.716 123.444 120.570 0.263 0.000 3.810 501 I HA 0.151 4.380 4.170 0.098 0.000 0.322 501 I C 1.591 177.686 176.117 -0.036 0.000 1.288 501 I CA 0.087 61.481 61.300 0.157 0.000 1.143 501 I CB -0.657 37.438 38.000 0.158 0.000 1.012 501 I HN 0.755 nan 8.210 nan 0.000 0.423 502 E N 1.086 121.357 120.200 0.119 0.000 2.038 502 E HA -0.302 4.106 4.350 0.098 0.000 0.195 502 E C 2.129 178.726 176.600 -0.006 0.000 1.000 502 E CA 2.034 58.466 56.400 0.053 0.000 0.803 502 E CB -1.143 28.625 29.700 0.113 0.000 0.750 502 E HN 0.685 nan 8.360 nan 0.000 0.448 503 F N 1.330 121.284 119.950 0.006 0.000 2.184 503 F HA -0.120 4.465 4.527 0.097 0.000 0.301 503 F C 2.286 178.070 175.800 -0.027 0.000 1.076 503 F CA 1.295 59.295 58.000 0.000 0.000 1.295 503 F CB -0.582 38.437 39.000 0.032 0.000 1.026 503 F HN -0.009 nan 8.300 nan 0.000 0.494 504 A N 0.676 122.808 122.820 -1.146 0.000 2.072 504 A HA 0.069 4.448 4.320 0.098 0.000 0.216 504 A C 2.290 179.587 177.584 -0.477 0.000 1.156 504 A CA 0.626 52.098 52.037 -0.942 0.000 0.701 504 A CB -0.524 17.641 19.000 -1.392 0.000 0.816 504 A HN 0.490 nan 8.150 nan 0.000 0.458 505 R N -0.612 119.676 120.500 -0.353 0.000 2.173 505 R HA 0.207 4.605 4.340 0.098 0.000 0.208 505 R C 1.704 177.972 176.300 -0.053 0.000 1.035 505 R CA 0.544 56.522 56.100 -0.204 0.000 1.004 505 R CB -0.276 29.906 30.300 -0.197 0.000 0.917 505 R HN 0.433 nan 8.270 nan 0.000 0.462 506 L N 0.574 121.766 121.223 -0.051 0.000 2.093 506 L HA -0.180 4.219 4.340 0.098 0.000 0.208 506 L C 2.562 179.472 176.870 0.067 0.000 1.085 506 L CA 1.116 55.964 54.840 0.013 0.000 0.755 506 L CB -0.323 41.737 42.059 0.003 0.000 0.904 506 L HN 0.131 nan 8.230 nan 0.000 0.435 507 Q N 0.270 120.089 119.800 0.031 0.000 1.975 507 Q HA -0.269 4.129 4.340 0.098 0.000 0.205 507 Q C 2.069 178.164 176.000 0.158 0.000 0.990 507 Q CA 2.112 57.965 55.803 0.084 0.000 0.845 507 Q CB -0.673 28.082 28.738 0.028 0.000 0.913 507 Q HN 0.374 nan 8.270 nan 0.000 0.420 508 F N 0.250 120.170 119.950 -0.051 0.000 2.087 508 F HA -0.308 4.278 4.527 0.098 0.000 0.299 508 F C 1.976 177.744 175.800 -0.054 0.000 1.100 508 F CA 2.258 60.217 58.000 -0.069 0.000 1.226 508 F CB -0.589 38.266 39.000 -0.241 0.000 0.983 508 F HN 0.119 nan 8.300 nan 0.000 0.479 509 T N -0.589 114.077 114.554 0.186 0.000 2.674 509 T HA -0.268 4.141 4.350 0.098 0.000 0.265 509 T C 1.554 176.298 174.700 0.074 0.000 1.039 509 T CA 1.735 63.896 62.100 0.102 0.000 1.150 509 T CB -0.933 68.004 68.868 0.115 0.000 0.864 509 T HN 0.530 nan 8.240 nan 0.000 0.427 510 Y N 2.617 122.921 120.300 0.006 0.000 2.128 510 Y HA -0.238 4.371 4.550 0.098 0.000 0.284 510 Y C 2.304 178.201 175.900 -0.006 0.000 1.154 510 Y CA 1.535 59.636 58.100 0.002 0.000 1.149 510 Y CB -0.376 38.087 38.460 0.005 0.000 0.976 510 Y HN 0.107 nan 8.280 nan 0.000 0.505 511 N N -0.407 118.350 118.700 0.096 0.000 2.104 511 N HA -0.190 4.609 4.740 0.098 0.000 0.190 511 N C 1.495 176.901 175.510 -0.173 0.000 1.024 511 N CA 2.000 55.022 53.050 -0.046 0.000 0.853 511 N CB -0.682 37.815 38.487 0.017 0.000 1.008 511 N HN 0.502 nan 8.380 nan 0.000 0.424 512 H N 0.290 119.169 119.070 -0.317 0.000 2.333 512 H HA 0.152 4.767 4.556 0.098 0.000 0.302 512 H C 2.123 177.326 175.328 -0.208 0.000 1.075 512 H CA 0.796 56.655 56.048 -0.316 0.000 1.348 512 H CB -0.373 29.104 29.762 -0.475 0.000 1.393 512 H HN 0.159 nan 8.280 nan 0.000 0.509 513 I N 0.384 120.910 120.570 -0.073 0.000 2.208 513 I HA -0.311 3.917 4.170 0.098 0.000 0.245 513 I C 2.623 178.653 176.117 -0.145 0.000 1.097 513 I CA 1.437 62.688 61.300 -0.082 0.000 1.363 513 I CB -0.313 37.636 38.000 -0.086 0.000 1.051 513 I HN 0.352 nan 8.210 nan 0.000 0.413 514 Q N 1.347 120.957 119.800 -0.317 0.000 2.061 514 Q HA -0.281 4.118 4.340 0.098 0.000 0.204 514 Q C 2.403 178.277 176.000 -0.209 0.000 0.984 514 Q CA 1.759 57.348 55.803 -0.355 0.000 0.846 514 Q CB -0.125 28.263 28.738 -0.584 0.000 0.902 514 Q HN 0.393 nan 8.270 nan 0.000 0.421 515 R N -0.212 120.171 120.500 -0.196 0.000 2.113 515 R HA -0.258 4.141 4.340 0.098 0.000 0.231 515 R C 2.478 178.729 176.300 -0.082 0.000 1.129 515 R CA 2.042 58.053 56.100 -0.149 0.000 0.915 515 R CB -1.031 29.153 30.300 -0.193 0.000 0.837 515 R HN 0.526 nan 8.270 nan 0.000 0.430 516 H N 0.024 119.014 119.070 -0.134 0.000 2.265 516 H HA -0.156 4.459 4.556 0.098 0.000 0.293 516 H C 2.097 177.374 175.328 -0.086 0.000 1.089 516 H CA 2.582 58.573 56.048 -0.095 0.000 1.244 516 H CB -0.176 29.538 29.762 -0.080 0.000 1.355 516 H HN 0.182 nan 8.280 nan 0.000 0.485 517 V N 1.741 121.584 119.914 -0.119 0.000 2.233 517 V HA -0.300 3.879 4.120 0.098 0.000 0.247 517 V C 2.403 178.389 176.094 -0.180 0.000 1.050 517 V CA 2.188 64.387 62.300 -0.169 0.000 1.010 517 V CB -0.606 31.166 31.823 -0.086 0.000 0.637 517 V HN 0.511 nan 8.190 nan 0.000 0.444 518 N N -0.053 118.563 118.700 -0.140 0.000 2.149 518 N HA -0.178 4.621 4.740 0.098 0.000 0.188 518 N C 1.661 177.100 175.510 -0.117 0.000 1.019 518 N CA 1.587 54.570 53.050 -0.112 0.000 0.857 518 N CB -0.561 37.872 38.487 -0.090 0.000 0.997 518 N HN 0.566 nan 8.380 nan 0.000 0.426 519 D N 0.420 120.737 120.400 -0.138 0.000 2.081 519 D HA -0.123 4.576 4.640 0.098 0.000 0.194 519 D C 1.873 178.083 176.300 -0.149 0.000 0.986 519 D CA 0.994 54.919 54.000 -0.124 0.000 0.837 519 D CB 0.025 40.758 40.800 -0.113 0.000 0.985 519 D HN -0.044 nan 8.370 nan 0.000 0.448 520 M N 0.561 120.009 119.600 -0.253 0.000 2.163 520 M HA -0.186 4.353 4.480 0.098 0.000 0.258 520 M C 2.736 178.947 176.300 -0.148 0.000 1.071 520 M CA 1.082 56.243 55.300 -0.231 0.000 1.093 520 M CB -1.556 30.814 32.600 -0.384 0.000 1.285 520 M HN 0.150 nan 8.290 nan 0.000 0.420 521 L N -0.498 120.632 121.223 -0.156 0.000 2.137 521 L HA -0.213 4.185 4.340 0.098 0.000 0.213 521 L C 2.514 179.335 176.870 -0.082 0.000 1.085 521 L CA 1.364 56.138 54.840 -0.111 0.000 0.760 521 L CB -1.211 40.783 42.059 -0.109 0.000 0.893 521 L HN 0.487 nan 8.230 nan 0.000 0.434 522 G N -0.487 108.267 108.800 -0.077 0.000 2.418 522 G HA2 -0.237 3.781 3.960 0.098 0.000 0.217 522 G HA3 -0.237 3.781 3.960 0.098 0.000 0.217 522 G C 1.694 176.577 174.900 -0.028 0.000 1.158 522 G CA 0.407 45.478 45.100 -0.048 0.000 0.771 522 G HN 0.303 nan 8.290 nan 0.000 0.545 523 R N -0.233 120.246 120.500 -0.034 0.000 2.096 523 R HA -0.033 4.366 4.340 0.098 0.000 0.235 523 R C 2.640 178.947 176.300 0.012 0.000 1.127 523 R CA 1.109 57.202 56.100 -0.012 0.000 0.968 523 R CB -0.536 29.751 30.300 -0.023 0.000 0.861 523 R HN 0.298 nan 8.270 nan 0.000 0.440 524 V N 1.102 121.015 119.914 -0.000 0.000 2.343 524 V HA -0.258 3.920 4.120 0.098 0.000 0.247 524 V C 2.458 178.594 176.094 0.070 0.000 1.051 524 V CA 1.944 64.261 62.300 0.029 0.000 1.036 524 V CB -0.732 31.075 31.823 -0.026 0.000 0.654 524 V HN 0.417 nan 8.190 nan 0.000 0.451 525 A N -0.373 122.459 122.820 0.021 0.000 1.978 525 A HA -0.190 4.189 4.320 0.098 0.000 0.220 525 A C 2.170 179.827 177.584 0.121 0.000 1.170 525 A CA 2.044 54.108 52.037 0.045 0.000 0.636 525 A CB -0.458 18.543 19.000 0.003 0.000 0.810 525 A HN 0.545 nan 8.150 nan 0.000 0.448 526 I N -0.910 119.712 120.570 0.087 0.000 2.296 526 I HA -0.101 4.127 4.170 0.098 0.000 0.242 526 I C 2.807 178.979 176.117 0.093 0.000 1.087 526 I CA 0.838 62.185 61.300 0.077 0.000 1.393 526 I CB -0.291 37.733 38.000 0.040 0.000 1.093 526 I HN 0.283 nan 8.210 nan 0.000 0.421 527 A N 0.233 123.108 122.820 0.091 0.000 2.178 527 A HA -0.233 4.145 4.320 0.098 0.000 0.218 527 A C 2.129 179.783 177.584 0.117 0.000 1.157 527 A CA 1.033 53.113 52.037 0.072 0.000 0.689 527 A CB -0.856 18.183 19.000 0.064 0.000 0.787 527 A HN 0.754 nan 8.150 nan 0.000 0.465 528 W N -0.907 120.383 121.300 -0.017 0.000 2.574 528 W HA -0.112 4.606 4.660 0.098 0.000 0.282 528 W C 2.321 178.840 176.519 0.000 0.000 1.197 528 W CA 0.906 58.246 57.345 -0.008 0.000 1.376 528 W CB -0.430 29.023 29.460 -0.011 0.000 1.091 528 W HN 0.422 nan 8.180 nan 0.000 0.569 529 c N 2.052 120.771 118.600 0.198 0.000 2.432 529 c HA -0.190 4.439 4.570 0.098 0.000 0.277 529 c C 2.362 176.449 174.090 -0.005 0.000 1.249 529 c CA 2.117 58.501 56.329 0.091 0.000 1.725 529 c CB -1.083 41.489 42.510 0.102 0.000 2.028 529 c HN 0.412 nan 8.230 nan 0.000 0.477 530 E N 0.254 120.454 120.200 -0.000 0.000 2.058 530 E HA -0.246 4.163 4.350 0.098 0.000 0.194 530 E C 2.009 178.584 176.600 -0.042 0.000 0.997 530 E CA 1.620 58.011 56.400 -0.016 0.000 0.801 530 E CB -0.393 29.290 29.700 -0.029 0.000 0.746 530 E HN 0.657 nan 8.360 nan 0.000 0.450 531 L N 1.237 122.386 121.223 -0.124 0.000 1.970 531 L HA -0.267 4.132 4.340 0.098 0.000 0.212 531 L C 2.275 179.074 176.870 -0.119 0.000 1.071 531 L CA 1.793 56.542 54.840 -0.152 0.000 0.751 531 L CB -0.351 41.536 42.059 -0.286 0.000 0.889 531 L HN 0.065 nan 8.230 nan 0.000 0.432 532 Q N -0.309 119.333 119.800 -0.262 0.000 2.152 532 Q HA -0.221 4.177 4.340 0.098 0.000 0.206 532 Q C 2.085 178.054 176.000 -0.051 0.000 0.985 532 Q CA 1.756 57.444 55.803 -0.192 0.000 0.863 532 Q CB -0.886 27.711 28.738 -0.236 0.000 0.904 532 Q HN 0.589 nan 8.270 nan 0.000 0.422 533 N N 0.194 118.884 118.700 -0.017 0.000 2.028 533 N HA -0.151 4.648 4.740 0.098 0.000 0.194 533 N C 1.674 177.228 175.510 0.074 0.000 1.050 533 N CA 1.411 54.480 53.050 0.031 0.000 0.848 533 N CB -0.887 37.624 38.487 0.040 0.000 1.038 533 N HN 0.365 nan 8.380 nan 0.000 0.423 534 H N 1.151 120.207 119.070 -0.023 0.000 2.304 534 H HA -0.144 4.470 4.556 0.098 0.000 0.287 534 H C 1.299 176.630 175.328 0.004 0.000 1.112 534 H CA 2.238 58.277 56.048 -0.015 0.000 1.200 534 H CB -0.118 29.622 29.762 -0.036 0.000 1.349 534 H HN 0.403 nan 8.280 nan 0.000 0.477 535 E N -0.629 119.636 120.200 0.108 0.000 2.478 535 E HA -0.093 4.315 4.350 0.098 0.000 0.198 535 E C 1.922 178.621 176.600 0.165 0.000 1.046 535 E CA 0.340 56.791 56.400 0.086 0.000 0.870 535 E CB -0.015 29.762 29.700 0.128 0.000 0.818 535 E HN 0.335 nan 8.360 nan 0.000 0.527 536 L N 0.848 122.152 121.223 0.135 0.000 2.141 536 L HA -0.137 4.262 4.340 0.098 0.000 0.209 536 L C 2.031 178.993 176.870 0.154 0.000 1.094 536 L CA 1.797 56.746 54.840 0.181 0.000 0.763 536 L CB -0.722 41.400 42.059 0.105 0.000 0.908 536 L HN -0.007 nan 8.230 nan 0.000 0.437 537 T N -0.024 114.552 114.554 0.037 0.000 2.737 537 T HA -0.226 4.183 4.350 0.098 0.000 0.269 537 T C 1.901 176.599 174.700 -0.003 0.000 1.040 537 T CA 2.062 64.156 62.100 -0.010 0.000 1.142 537 T CB -0.335 68.465 68.868 -0.114 0.000 0.861 537 T HN 0.355 nan 8.240 nan 0.000 0.456 538 L N -1.574 119.628 121.223 -0.035 0.000 2.068 538 L HA 0.080 4.479 4.340 0.098 0.000 0.204 538 L C 2.471 179.291 176.870 -0.084 0.000 1.076 538 L CA 1.038 55.810 54.840 -0.114 0.000 0.753 538 L CB -0.603 41.317 42.059 -0.232 0.000 0.910 538 L HN 0.289 nan 8.230 nan 0.000 0.439 539 W N 1.018 122.332 121.300 0.023 0.000 2.350 539 W HA -0.169 4.549 4.660 0.097 0.000 0.289 539 W C 2.538 179.182 176.519 0.209 0.000 1.215 539 W CA 0.725 58.117 57.345 0.078 0.000 1.236 539 W CB -0.454 28.991 29.460 -0.026 0.000 1.130 539 W HN 0.186 nan 8.180 nan 0.000 0.541 540 N N 0.463 119.391 118.700 0.380 0.000 2.036 540 N HA -0.190 4.609 4.740 0.098 0.000 0.195 540 N C 1.514 177.112 175.510 0.148 0.000 1.037 540 N CA 1.797 55.002 53.050 0.259 0.000 0.855 540 N CB -0.792 37.789 38.487 0.157 0.000 1.033 540 N HN 0.153 nan 8.380 nan 0.000 0.423 541 E N 0.845 121.096 120.200 0.084 0.000 2.106 541 E HA -0.026 4.383 4.350 0.098 0.000 0.192 541 E C 1.926 178.549 176.600 0.037 0.000 0.984 541 E CA 0.774 57.195 56.400 0.035 0.000 0.806 541 E CB -0.446 29.252 29.700 -0.003 0.000 0.750 541 E HN 0.355 nan 8.360 nan 0.000 0.458 542 A N 2.126 124.969 122.820 0.038 0.000 1.933 542 A HA -0.217 4.161 4.320 0.098 0.000 0.218 542 A C 2.150 179.799 177.584 0.107 0.000 1.175 542 A CA 1.819 53.872 52.037 0.027 0.000 0.628 542 A CB -0.593 18.365 19.000 -0.070 0.000 0.814 542 A HN 0.319 nan 8.150 nan 0.000 0.444 543 R N -0.365 120.249 120.500 0.189 0.000 2.285 543 R HA 0.027 4.426 4.340 0.098 0.000 0.213 543 R C 1.600 177.948 176.300 0.081 0.000 1.068 543 R CA 1.452 57.658 56.100 0.177 0.000 1.004 543 R CB -0.263 30.164 30.300 0.212 0.000 0.873 543 R HN 0.416 nan 8.270 nan 0.000 0.467 544 K N 0.882 121.317 120.400 0.058 0.000 2.098 544 K HA 0.099 4.477 4.320 0.098 0.000 0.203 544 K C 1.986 178.606 176.600 0.034 0.000 1.051 544 K CA 0.896 57.201 56.287 0.031 0.000 0.957 544 K CB 0.039 32.551 32.500 0.020 0.000 0.738 544 K HN 0.147 nan 8.250 nan 0.000 0.447 545 L N 0.302 121.547 121.223 0.036 0.000 2.072 545 L HA -0.073 4.325 4.340 0.098 0.000 0.205 545 L C 1.126 178.022 176.870 0.043 0.000 1.079 545 L CA 0.819 55.678 54.840 0.031 0.000 0.752 545 L CB -0.202 41.869 42.059 0.019 0.000 0.906 545 L HN 0.188 nan 8.230 nan 0.000 0.436 546 N N -0.982 117.753 118.700 0.058 0.000 2.672 546 N HA 0.163 4.962 4.740 0.098 0.000 0.295 546 N C -2.047 173.514 175.510 0.084 0.000 1.924 546 N CA -1.589 51.501 53.050 0.067 0.000 0.851 546 N CB 0.724 39.251 38.487 0.066 0.000 1.281 546 N HN -0.191 nan 8.380 nan 0.000 0.494 547 P HA -0.186 nan 4.420 nan 0.000 0.220 547 P C 1.020 178.371 177.300 0.084 0.000 1.155 547 P CA 1.398 64.543 63.100 0.076 0.000 0.880 547 P CB 0.422 32.150 31.700 0.046 0.000 0.790 548 N N -0.963 117.778 118.700 0.069 0.000 2.058 548 N HA -0.133 4.665 4.740 0.098 0.000 0.191 548 N C 1.751 177.302 175.510 0.070 0.000 1.037 548 N CA 1.796 54.882 53.050 0.060 0.000 0.848 548 N CB -1.205 37.312 38.487 0.050 0.000 1.021 548 N HN 0.074 nan 8.380 nan 0.000 0.422 549 A N 0.132 123.002 122.820 0.083 0.000 1.930 549 A HA -0.032 4.346 4.320 0.098 0.000 0.217 549 A C 2.136 179.813 177.584 0.156 0.000 1.175 549 A CA 0.973 53.068 52.037 0.097 0.000 0.627 549 A CB -0.428 18.628 19.000 0.092 0.000 0.815 549 A HN 0.144 nan 8.150 nan 0.000 0.443 550 I N -0.192 120.502 120.570 0.206 0.000 2.333 550 I HA -0.077 4.151 4.170 0.098 0.000 0.246 550 I C 2.771 179.033 176.117 0.242 0.000 1.106 550 I CA 1.130 62.631 61.300 0.334 0.000 1.411 550 I CB -0.530 37.724 38.000 0.423 0.000 1.082 550 I HN 0.273 nan 8.210 nan 0.000 0.420 551 A N -0.894 122.039 122.820 0.189 0.000 2.015 551 A HA -0.129 4.250 4.320 0.098 0.000 0.219 551 A C 2.460 180.088 177.584 0.073 0.000 1.163 551 A CA 1.910 54.036 52.037 0.149 0.000 0.646 551 A CB -0.629 18.436 19.000 0.107 0.000 0.806 551 A HN 0.384 nan 8.150 nan 0.000 0.448 552 S N -1.042 114.690 115.700 0.054 0.000 2.348 552 S HA -0.081 4.448 4.470 0.098 0.000 0.219 552 S C 1.830 176.424 174.600 -0.010 0.000 1.033 552 S CA 1.020 59.225 58.200 0.008 0.000 0.974 552 S CB -0.389 62.803 63.200 -0.013 0.000 0.868 552 S HN 0.340 nan 8.310 nan 0.000 0.459 553 V N 1.889 121.812 119.914 0.015 0.000 2.720 553 V HA -0.137 4.041 4.120 0.098 0.000 0.256 553 V C 1.914 177.933 176.094 -0.126 0.000 1.082 553 V CA 1.845 64.138 62.300 -0.012 0.000 1.101 553 V CB -0.685 31.192 31.823 0.090 0.000 0.693 553 V HN 0.520 nan 8.190 nan 0.000 0.479 554 T N -1.240 113.224 114.554 -0.149 0.000 3.057 554 T HA 0.079 4.487 4.350 0.098 0.000 0.254 554 T C 1.203 175.819 174.700 -0.140 0.000 1.094 554 T CA 1.059 63.006 62.100 -0.256 0.000 1.088 554 T CB 0.404 69.094 68.868 -0.295 0.000 0.934 554 T HN 0.368 nan 8.240 nan 0.000 0.497 555 V N 0.153 120.027 119.914 -0.068 0.000 3.253 555 V HA 0.411 4.590 4.120 0.098 0.000 0.320 555 V C 1.446 177.515 176.094 -0.041 0.000 1.442 555 V CA -0.045 62.229 62.300 -0.044 0.000 1.097 555 V CB -0.102 31.714 31.823 -0.012 0.000 1.008 555 V HN 0.455 nan 8.190 nan 0.000 0.463 556 G N 2.688 111.458 108.800 -0.051 0.000 2.305 556 G HA2 -0.282 3.737 3.960 0.098 0.000 0.287 556 G HA3 -0.282 3.737 3.960 0.098 0.000 0.287 556 G C 0.167 175.046 174.900 -0.035 0.000 1.036 556 G CA 0.901 45.976 45.100 -0.042 0.000 0.887 556 G HN 0.924 nan 8.290 nan 0.000 0.505 557 R N -2.627 117.848 120.500 -0.042 0.000 2.687 557 R HA 0.595 4.993 4.340 0.098 0.000 0.265 557 R C -0.468 175.781 176.300 -0.085 0.000 1.048 557 R CA -1.319 54.749 56.100 -0.054 0.000 0.884 557 R CB 0.788 31.076 30.300 -0.021 0.000 1.258 557 R HN -0.001 nan 8.270 nan 0.000 0.469 558 R N 1.420 121.817 120.500 -0.170 0.000 2.449 558 R HA 0.309 4.707 4.340 0.098 0.000 0.296 558 R C 0.040 176.284 176.300 -0.093 0.000 1.047 558 R CA -0.079 55.877 56.100 -0.240 0.000 1.018 558 R CB 0.747 30.643 30.300 -0.673 0.000 0.962 558 R HN 0.569 nan 8.270 nan 0.000 0.428 559 V N -1.488 118.398 119.914 -0.048 0.000 3.188 559 V HA 0.610 4.788 4.120 0.098 0.000 0.305 559 V C -0.148 175.958 176.094 0.019 0.000 1.232 559 V CA -1.195 61.108 62.300 0.006 0.000 1.043 559 V CB 2.113 33.945 31.823 0.016 0.000 1.068 559 V HN 0.746 nan 8.190 nan 0.000 0.439 560 S N 0.953 116.674 115.700 0.036 0.000 2.617 560 S HA 0.970 5.499 4.470 0.098 0.000 0.283 560 S C -0.187 174.434 174.600 0.035 0.000 1.189 560 S CA 0.046 58.270 58.200 0.040 0.000 1.036 560 S CB 1.439 64.668 63.200 0.047 0.000 1.014 560 S HN 2.554 nan 8.310 nan 0.000 0.522 561 A N 1.930 124.771 122.820 0.035 0.000 2.594 561 A HA 0.874 5.252 4.320 0.098 0.000 0.295 561 A C -0.622 176.976 177.584 0.024 0.000 1.071 561 A CA -1.200 50.854 52.037 0.028 0.000 0.685 561 A CB 1.469 20.489 19.000 0.034 0.000 1.285 561 A HN 1.244 nan 8.150 nan 0.000 0.405 562 R N 0.894 121.401 120.500 0.011 0.000 2.739 562 R HA 0.763 5.162 4.340 0.098 0.000 0.271 562 R C -1.217 175.076 176.300 -0.012 0.000 1.010 562 R CA -0.937 55.167 56.100 0.006 0.000 0.897 562 R CB 1.001 31.307 30.300 0.011 0.000 1.236 562 R HN 0.508 nan 8.270 nan 0.000 0.466 563 M N 2.545 122.135 119.600 -0.017 0.000 2.211 563 M HA 0.263 4.802 4.480 0.098 0.000 0.356 563 M C -0.250 176.035 176.300 -0.026 0.000 1.216 563 M CA -0.380 54.899 55.300 -0.034 0.000 1.134 563 M CB 0.870 33.448 32.600 -0.037 0.000 1.564 563 M HN 0.610 nan 8.290 nan 0.000 0.463 564 L N 2.970 124.173 121.223 -0.034 0.000 2.843 564 L HA 0.381 4.779 4.340 0.098 0.000 0.234 564 L C 1.070 177.923 176.870 -0.028 0.000 1.264 564 L CA -0.298 54.527 54.840 -0.025 0.000 1.052 564 L CB -0.330 41.716 42.059 -0.022 0.000 1.372 564 L HN 1.097 nan 8.230 nan 0.000 0.466 565 G N 0.826 109.609 108.800 -0.028 0.000 3.127 565 G HA2 -0.296 3.723 3.960 0.098 0.000 0.280 565 G HA3 -0.296 3.723 3.960 0.098 0.000 0.280 565 G C 0.381 175.257 174.900 -0.040 0.000 1.491 565 G CA 0.267 45.350 45.100 -0.027 0.000 1.029 565 G HN 0.407 nan 8.290 nan 0.000 0.582 566 D N 1.206 121.580 120.400 -0.044 0.000 2.395 566 D HA 0.393 5.092 4.640 0.098 0.000 0.213 566 D C 1.281 177.529 176.300 -0.087 0.000 1.110 566 D CA 0.964 54.930 54.000 -0.057 0.000 0.835 566 D CB 0.917 41.694 40.800 -0.038 0.000 0.965 566 D HN 0.876 nan 8.370 nan 0.000 0.505 567 V N -2.646 117.217 119.914 -0.086 0.000 3.240 567 V HA 0.651 4.830 4.120 0.098 0.000 0.306 567 V C -0.482 175.538 176.094 -0.125 0.000 1.227 567 V CA -1.067 61.166 62.300 -0.111 0.000 1.047 567 V CB 2.503 34.284 31.823 -0.070 0.000 1.203 567 V HN -0.126 nan 8.190 nan 0.000 0.471 568 M N 1.583 121.111 119.600 -0.120 0.000 2.124 568 M HA 0.759 5.298 4.480 0.098 0.000 0.280 568 M C -0.413 175.856 176.300 -0.051 0.000 0.954 568 M CA -0.485 54.753 55.300 -0.104 0.000 0.958 568 M CB 1.279 33.780 32.600 -0.164 0.000 1.611 568 M HN 1.206 nan 8.290 nan 0.000 0.449 569 A N 3.885 126.687 122.820 -0.031 0.000 2.440 569 A HA 0.620 4.998 4.320 0.098 0.000 0.251 569 A C -0.526 177.057 177.584 -0.001 0.000 1.089 569 A CA -0.395 51.635 52.037 -0.012 0.000 0.779 569 A CB 0.125 19.121 19.000 -0.006 0.000 1.022 569 A HN 0.912 nan 8.150 nan 0.000 0.492 570 V N 0.085 120.003 119.914 0.006 0.000 2.925 570 V HA 0.917 5.095 4.120 0.098 0.000 0.311 570 V C -0.271 175.834 176.094 0.018 0.000 1.104 570 V CA -0.521 61.789 62.300 0.016 0.000 0.954 570 V CB 1.581 33.416 31.823 0.020 0.000 1.022 570 V HN 0.945 nan 8.190 nan 0.000 0.427 571 S N 1.026 116.740 115.700 0.024 0.000 2.564 571 S HA 0.738 5.266 4.470 0.098 0.000 0.274 571 S C 0.101 174.721 174.600 0.034 0.000 1.124 571 S CA -0.306 57.910 58.200 0.026 0.000 0.869 571 S CB 1.904 65.120 63.200 0.027 0.000 1.105 571 S HN 1.287 nan 8.310 nan 0.000 0.472 572 T N -0.905 113.670 114.554 0.036 0.000 2.619 572 T HA 0.413 4.821 4.350 0.098 0.000 0.330 572 T C 0.231 174.974 174.700 0.072 0.000 1.037 572 T CA -0.234 61.896 62.100 0.049 0.000 1.005 572 T CB -0.142 68.755 68.868 0.048 0.000 1.084 572 T HN 0.678 nan 8.240 nan 0.000 0.521 573 c N -0.398 118.269 118.600 0.112 0.000 2.889 573 c HA 0.722 5.350 4.570 0.098 0.000 0.307 573 c C -0.331 173.887 174.090 0.213 0.000 1.251 573 c CA -0.700 55.738 56.329 0.181 0.000 1.593 573 c CB 1.965 44.617 42.510 0.238 0.000 2.104 573 c HN 0.811 nan 8.230 nan 0.000 0.476 574 V N 3.613 123.636 119.914 0.183 0.000 2.448 574 V HA 0.410 4.589 4.120 0.098 0.000 0.295 574 V C -2.261 173.782 176.094 -0.086 0.000 1.025 574 V CA -1.379 60.964 62.300 0.071 0.000 0.859 574 V CB 1.764 33.612 31.823 0.042 0.000 0.988 574 V HN 0.727 nan 8.190 nan 0.000 0.431 575 P HA 0.346 nan 4.420 nan 0.000 0.274 575 P C -1.071 176.080 177.300 -0.248 0.000 1.231 575 P CA -0.177 62.515 63.100 -0.679 0.000 0.790 575 P CB 0.868 32.257 31.700 -0.518 0.000 0.951 576 V N 1.181 120.966 119.914 -0.216 0.000 2.623 576 V HA 0.519 4.698 4.120 0.098 0.000 0.304 576 V C 0.016 176.109 176.094 -0.002 0.000 1.054 576 V CA -1.179 61.087 62.300 -0.056 0.000 0.882 576 V CB 1.656 33.415 31.823 -0.107 0.000 1.002 576 V HN 0.689 nan 8.190 nan 0.000 0.424 577 A N 3.329 126.155 122.820 0.011 0.000 2.548 577 A HA 0.499 4.877 4.320 0.098 0.000 0.247 577 A C 1.624 179.264 177.584 0.093 0.000 1.067 577 A CA 0.619 52.676 52.037 0.032 0.000 0.757 577 A CB 0.298 19.311 19.000 0.022 0.000 0.996 577 A HN 1.610 nan 8.150 nan 0.000 0.504 578 A N 2.661 125.569 122.820 0.146 0.000 1.948 578 A HA -0.206 4.173 4.320 0.098 0.000 0.220 578 A C 1.696 179.352 177.584 0.120 0.000 1.177 578 A CA 2.016 54.219 52.037 0.277 0.000 0.636 578 A CB -0.531 18.541 19.000 0.120 0.000 0.815 578 A HN 0.963 nan 8.150 nan 0.000 0.449 579 D N -0.504 119.933 120.400 0.061 0.000 2.378 579 D HA -0.108 4.590 4.640 0.098 0.000 0.222 579 D C 0.489 176.803 176.300 0.023 0.000 0.980 579 D CA 0.775 54.798 54.000 0.039 0.000 0.907 579 D CB -0.598 40.219 40.800 0.029 0.000 0.899 579 D HN 0.318 nan 8.370 nan 0.000 0.527 580 N N 0.001 118.708 118.700 0.011 0.000 2.321 580 N HA 0.140 4.938 4.740 0.098 0.000 0.242 580 N C -1.013 174.477 175.510 -0.033 0.000 1.141 580 N CA -0.075 52.971 53.050 -0.007 0.000 0.864 580 N CB 1.412 39.898 38.487 -0.001 0.000 1.100 580 N HN 0.037 nan 8.380 nan 0.000 0.510 581 V N 1.317 121.187 119.914 -0.073 0.000 2.588 581 V HA 0.520 4.698 4.120 0.098 0.000 0.304 581 V C -0.196 175.922 176.094 0.039 0.000 1.042 581 V CA -0.677 61.548 62.300 -0.125 0.000 0.877 581 V CB 2.686 34.132 31.823 -0.628 0.000 0.996 581 V HN -0.040 nan 8.190 nan 0.000 0.425 582 I N 4.408 125.009 120.570 0.052 0.000 2.439 582 I HA 0.396 4.624 4.170 0.098 0.000 0.285 582 I C -0.447 175.670 176.117 -0.000 0.000 1.021 582 I CA -0.839 60.491 61.300 0.050 0.000 1.091 582 I CB 2.089 40.087 38.000 -0.004 0.000 1.242 582 I HN 0.410 nan 8.210 nan 0.000 0.439 583 V N 7.376 127.252 119.914 -0.063 0.000 2.408 583 V HA 0.263 4.441 4.120 0.098 0.000 0.267 583 V C 0.077 176.116 176.094 -0.092 0.000 1.047 583 V CA -0.051 62.152 62.300 -0.163 0.000 0.937 583 V CB 1.302 32.876 31.823 -0.414 0.000 0.999 583 V HN 0.750 nan 8.190 nan 0.000 0.472 584 Q N 4.553 124.326 119.800 -0.045 0.000 2.332 584 Q HA 0.278 4.676 4.340 0.098 0.000 0.263 584 Q C 1.544 177.592 176.000 0.080 0.000 0.979 584 Q CA 0.885 56.678 55.803 -0.017 0.000 0.885 584 Q CB 0.799 29.520 28.738 -0.028 0.000 1.218 584 Q HN 0.967 nan 8.270 nan 0.000 0.405 585 N N 1.323 120.036 118.700 0.022 0.000 2.381 585 N HA -0.075 4.723 4.740 0.098 0.000 0.182 585 N C 0.629 176.276 175.510 0.227 0.000 1.025 585 N CA 1.119 54.189 53.050 0.034 0.000 0.888 585 N CB 0.372 38.820 38.487 -0.066 0.000 0.965 585 N HN 0.377 nan 8.380 nan 0.000 0.438 586 S N -1.415 114.421 115.700 0.226 0.000 2.503 586 S HA 0.628 5.157 4.470 0.098 0.000 0.301 586 S C 0.469 175.237 174.600 0.280 0.000 1.087 586 S CA -0.532 57.828 58.200 0.266 0.000 1.042 586 S CB 1.100 64.397 63.200 0.162 0.000 1.043 586 S HN 0.402 nan 8.310 nan 0.000 0.489 587 M N 3.249 123.048 119.600 0.333 0.000 2.371 587 M HA 0.225 4.764 4.480 0.098 0.000 0.246 587 M C 0.433 176.914 176.300 0.303 0.000 1.103 587 M CA -0.033 55.452 55.300 0.309 0.000 1.010 587 M CB 0.266 33.037 32.600 0.285 0.000 1.457 587 M HN 0.444 nan 8.290 nan 0.000 0.486 588 R N 1.234 121.849 120.500 0.191 0.000 2.641 588 R HA 0.386 4.785 4.340 0.098 0.000 0.269 588 R C -0.353 175.981 176.300 0.057 0.000 1.074 588 R CA 0.000 56.121 56.100 0.034 0.000 1.133 588 R CB 0.796 31.096 30.300 -0.000 0.000 1.029 588 R HN 0.195 nan 8.270 nan 0.000 0.488 589 I N 1.783 122.308 120.570 -0.076 0.000 2.307 589 I HA -0.001 4.227 4.170 0.098 0.000 0.287 589 I C 1.482 177.571 176.117 -0.047 0.000 1.054 589 I CA -0.050 61.202 61.300 -0.080 0.000 1.218 589 I CB 1.545 39.385 38.000 -0.267 0.000 1.398 589 I HN 0.757 nan 8.210 nan 0.000 0.475 590 S N 3.706 119.410 115.700 0.006 0.000 2.374 590 S HA -0.224 4.305 4.470 0.098 0.000 0.227 590 S C 2.252 176.843 174.600 -0.016 0.000 1.037 590 S CA 2.327 60.526 58.200 -0.001 0.000 1.024 590 S CB 0.014 63.224 63.200 0.018 0.000 0.861 590 S HN 0.781 nan 8.310 nan 0.000 0.456 591 S N 1.605 117.298 115.700 -0.011 0.000 2.380 591 S HA -0.185 4.344 4.470 0.098 0.000 0.229 591 S C 0.686 175.261 174.600 -0.042 0.000 1.043 591 S CA 1.233 59.420 58.200 -0.021 0.000 1.038 591 S CB -0.339 62.853 63.200 -0.014 0.000 0.872 591 S HN 0.780 nan 8.310 nan 0.000 0.456 592 R N 0.422 120.880 120.500 -0.069 0.000 2.510 592 R HA 0.581 4.979 4.340 0.098 0.000 0.294 592 R C -3.434 172.810 176.300 -0.094 0.000 1.056 592 R CA -2.123 53.930 56.100 -0.079 0.000 0.918 592 R CB 0.986 31.230 30.300 -0.093 0.000 1.187 592 R HN 0.048 nan 8.270 nan 0.000 0.437 593 P HA 0.074 nan 4.420 nan 0.000 0.267 593 P C 0.840 178.078 177.300 -0.103 0.000 1.200 593 P CA 1.315 64.365 63.100 -0.082 0.000 0.772 593 P CB 1.075 32.739 31.700 -0.060 0.000 0.855 594 G N 1.385 110.109 108.800 -0.126 0.000 2.900 594 G HA2 -0.265 3.753 3.960 0.098 0.000 0.223 594 G HA3 -0.265 3.753 3.960 0.098 0.000 0.223 594 G C 0.460 175.243 174.900 -0.195 0.000 1.293 594 G CA 0.094 45.108 45.100 -0.143 0.000 0.792 594 G HN 0.872 nan 8.290 nan 0.000 0.527 595 A N 0.229 122.939 122.820 -0.182 0.000 2.425 595 A HA 0.597 4.975 4.320 0.098 0.000 0.249 595 A C 0.673 178.084 177.584 -0.287 0.000 1.084 595 A CA 0.925 52.834 52.037 -0.214 0.000 0.781 595 A CB 0.274 19.161 19.000 -0.188 0.000 1.019 595 A HN 1.313 nan 8.150 nan 0.000 0.490 596 c N -0.029 118.384 118.600 -0.310 0.000 2.822 596 c HA 0.630 5.258 4.570 0.098 0.000 0.341 596 c C -0.338 173.604 174.090 -0.246 0.000 1.301 596 c CA -0.704 55.446 56.329 -0.299 0.000 1.706 596 c CB 0.699 42.946 42.510 -0.438 0.000 2.178 596 c HN 0.789 nan 8.230 nan 0.000 0.481 597 Y N 0.908 121.211 120.300 0.004 0.000 2.299 597 Y HA 0.224 4.832 4.550 0.098 0.000 0.326 597 Y C 1.760 177.697 175.900 0.062 0.000 1.164 597 Y CA 0.267 58.373 58.100 0.011 0.000 1.234 597 Y CB 1.104 39.548 38.460 -0.026 0.000 1.219 597 Y HN 0.835 nan 8.280 nan 0.000 0.497 598 S N 2.172 117.995 115.700 0.206 0.000 2.425 598 S HA 0.140 4.668 4.470 0.098 0.000 0.225 598 S C 0.419 175.070 174.600 0.085 0.000 1.024 598 S CA 0.236 58.550 58.200 0.190 0.000 0.951 598 S CB 0.089 63.384 63.200 0.159 0.000 0.796 598 S HN 0.564 nan 8.310 nan 0.000 0.498 599 R N 1.450 121.886 120.500 -0.108 0.000 2.740 599 R HA 0.533 4.931 4.340 0.098 0.000 0.282 599 R C -3.272 172.722 176.300 -0.509 0.000 0.969 599 R CA -2.622 53.141 56.100 -0.563 0.000 0.918 599 R CB 0.755 30.779 30.300 -0.459 0.000 1.175 599 R HN 0.099 nan 8.270 nan 0.000 0.464 600 P HA -0.012 nan 4.420 nan 0.000 0.268 600 P C -0.343 176.741 177.300 -0.360 0.000 1.208 600 P CA 0.153 62.912 63.100 -0.569 0.000 0.777 600 P CB 0.509 31.810 31.700 -0.666 0.000 0.875 601 L N 1.938 122.994 121.223 -0.278 0.000 2.395 601 L HA 0.525 4.923 4.340 0.098 0.000 0.269 601 L C 0.508 177.288 176.870 -0.150 0.000 1.133 601 L CA -0.395 54.286 54.840 -0.265 0.000 0.812 601 L CB 0.733 42.623 42.059 -0.281 0.000 1.125 601 L HN 0.217 nan 8.230 nan 0.000 0.452 602 V N -1.162 118.690 119.914 -0.104 0.000 3.147 602 V HA 0.765 4.943 4.120 0.098 0.000 0.306 602 V C -0.625 175.469 176.094 -0.001 0.000 1.209 602 V CA -0.512 61.771 62.300 -0.029 0.000 1.023 602 V CB 2.116 33.955 31.823 0.026 0.000 1.059 602 V HN 0.703 nan 8.190 nan 0.000 0.435 603 S N 1.865 117.565 115.700 0.000 0.000 2.548 603 S HA 1.004 5.532 4.470 0.098 0.000 0.286 603 S C -0.942 173.640 174.600 -0.030 0.000 1.098 603 S CA -0.464 57.669 58.200 -0.112 0.000 0.930 603 S CB 1.608 64.715 63.200 -0.155 0.000 1.070 603 S HN 1.465 nan 8.310 nan 0.000 0.480 604 F N -0.617 119.216 119.950 -0.194 0.000 2.789 604 F HA 0.860 5.446 4.527 0.098 0.000 0.319 604 F C -1.005 174.617 175.800 -0.297 0.000 1.168 604 F CA -1.428 56.424 58.000 -0.246 0.000 0.934 604 F CB 1.173 39.989 39.000 -0.306 0.000 1.375 604 F HN 0.625 nan 8.300 nan 0.000 0.480 605 R N -0.486 119.961 120.500 -0.089 0.000 2.707 605 R HA 0.471 4.869 4.340 0.098 0.000 0.272 605 R C -1.426 174.769 176.300 -0.174 0.000 1.011 605 R CA -0.853 55.111 56.100 -0.227 0.000 0.893 605 R CB 1.360 31.590 30.300 -0.116 0.000 1.233 605 R HN 0.787 nan 8.270 nan 0.000 0.464 606 Y N 0.036 120.406 120.300 0.116 0.000 2.448 606 Y HA 0.226 4.834 4.550 0.097 0.000 0.289 606 Y C 0.123 176.047 175.900 0.040 0.000 1.114 606 Y CA 0.233 58.383 58.100 0.082 0.000 1.235 606 Y CB 0.546 39.050 38.460 0.073 0.000 1.045 606 Y HN 0.412 nan 8.280 nan 0.000 0.554 607 E N -0.002 120.296 120.200 0.162 0.000 2.256 607 E HA 0.127 4.535 4.350 0.098 0.000 0.267 607 E C -0.490 176.138 176.600 0.047 0.000 0.892 607 E CA -0.495 55.961 56.400 0.092 0.000 0.775 607 E CB 1.554 31.305 29.700 0.085 0.000 1.207 607 E HN 0.040 nan 8.360 nan 0.000 0.420 608 D N 1.095 121.515 120.400 0.033 0.000 2.123 608 D HA -0.177 4.521 4.640 0.098 0.000 0.196 608 D C 1.359 177.666 176.300 0.011 0.000 0.992 608 D CA 1.620 55.631 54.000 0.017 0.000 0.833 608 D CB 0.202 41.012 40.800 0.016 0.000 0.954 608 D HN 0.394 nan 8.370 nan 0.000 0.455 609 Q N 0.029 119.838 119.800 0.016 0.000 2.339 609 Q HA 0.167 4.566 4.340 0.098 0.000 0.205 609 Q C 1.241 177.248 176.000 0.012 0.000 0.925 609 Q CA 0.264 56.073 55.803 0.010 0.000 0.898 609 Q CB 0.295 29.040 28.738 0.011 0.000 1.013 609 Q HN 0.162 nan 8.270 nan 0.000 0.504 610 G N 2.849 111.665 108.800 0.026 0.000 2.670 610 G HA2 0.068 4.087 3.960 0.098 0.000 0.233 610 G HA3 0.068 4.087 3.960 0.098 0.000 0.233 610 G C -2.501 172.403 174.900 0.007 0.000 1.251 610 G CA -0.752 44.370 45.100 0.036 0.000 0.849 610 G HN 0.000 nan 8.290 nan 0.000 0.588 611 P HA 0.163 nan 4.420 nan 0.000 0.272 611 P C 0.094 177.342 177.300 -0.088 0.000 1.223 611 P CA -0.720 62.360 63.100 -0.034 0.000 0.784 611 P CB 0.722 32.408 31.700 -0.023 0.000 0.923 612 L N 3.215 124.366 121.223 -0.121 0.000 2.467 612 L HA 0.276 4.674 4.340 0.098 0.000 0.270 612 L C -0.664 176.029 176.870 -0.296 0.000 1.205 612 L CA 0.286 55.002 54.840 -0.205 0.000 0.828 612 L CB 0.436 42.398 42.059 -0.162 0.000 1.101 612 L HN 0.089 nan 8.230 nan 0.000 0.479 613 V N 3.555 123.146 119.914 -0.538 0.000 2.808 613 V HA 0.396 4.575 4.120 0.098 0.000 0.308 613 V C -0.570 175.039 176.094 -0.808 0.000 1.099 613 V CA -0.886 61.015 62.300 -0.665 0.000 0.920 613 V CB 1.937 33.256 31.823 -0.840 0.000 1.014 613 V HN 0.786 nan 8.190 nan 0.000 0.425 614 E N 1.766 121.704 120.200 -0.437 0.000 2.266 614 E HA 0.732 5.141 4.350 0.098 0.000 0.277 614 E C 0.171 176.686 176.600 -0.141 0.000 1.018 614 E CA -0.098 56.140 56.400 -0.269 0.000 0.840 614 E CB 2.175 31.783 29.700 -0.153 0.000 1.082 614 E HN 0.929 nan 8.360 nan 0.000 0.395 615 G N 1.173 109.971 108.800 -0.003 0.000 2.561 615 G HA2 0.239 4.257 3.960 0.098 0.000 0.310 615 G HA3 0.239 4.257 3.960 0.098 0.000 0.310 615 G C -1.698 173.207 174.900 0.010 0.000 1.292 615 G CA -0.572 44.589 45.100 0.101 0.000 0.811 615 G HN 0.425 nan 8.290 nan 0.000 0.482 616 Q N -0.619 119.180 119.800 -0.002 0.000 2.377 616 Q HA 0.608 5.007 4.340 0.098 0.000 0.271 616 Q C -1.138 174.828 176.000 -0.056 0.000 1.077 616 Q CA -0.898 54.849 55.803 -0.093 0.000 0.820 616 Q CB 2.434 31.093 28.738 -0.130 0.000 1.347 616 Q HN 0.575 nan 8.270 nan 0.000 0.444 617 L N 2.937 124.093 121.223 -0.112 0.000 2.477 617 L HA 0.378 4.777 4.340 0.098 0.000 0.272 617 L C 0.073 176.911 176.870 -0.054 0.000 1.157 617 L CA 0.934 55.733 54.840 -0.069 0.000 0.889 617 L CB 0.489 42.465 42.059 -0.138 0.000 1.158 617 L HN 0.701 nan 8.230 nan 0.000 0.473 618 G N 4.011 112.829 108.800 0.030 0.000 2.568 618 G HA2 0.344 4.362 3.960 0.098 0.000 0.293 618 G HA3 0.344 4.362 3.960 0.098 0.000 0.293 618 G C -0.769 174.185 174.900 0.091 0.000 1.347 618 G CA -0.711 44.420 45.100 0.051 0.000 1.039 618 G HN 0.691 nan 8.290 nan 0.000 0.523 619 E N 0.066 120.324 120.200 0.097 0.000 2.373 619 E HA 0.109 4.518 4.350 0.098 0.000 0.267 619 E C -0.009 176.654 176.600 0.105 0.000 1.032 619 E CA -0.048 56.423 56.400 0.118 0.000 0.889 619 E CB 0.570 30.331 29.700 0.101 0.000 0.984 619 E HN 0.479 nan 8.360 nan 0.000 0.425 620 N N 3.035 121.800 118.700 0.109 0.000 2.758 620 N HA -0.219 4.579 4.740 0.098 0.000 0.248 620 N C -1.004 174.538 175.510 0.054 0.000 1.076 620 N CA 0.845 53.930 53.050 0.059 0.000 0.696 620 N CB -1.304 37.200 38.487 0.028 0.000 0.979 620 N HN 0.683 nan 8.380 nan 0.000 0.550 621 N N -1.272 117.499 118.700 0.118 0.000 2.741 621 N HA -0.250 4.548 4.740 0.098 0.000 0.250 621 N C -0.407 175.273 175.510 0.282 0.000 1.115 621 N CA 1.343 54.510 53.050 0.194 0.000 0.724 621 N CB -1.117 37.249 38.487 -0.201 0.000 1.090 621 N HN 0.841 nan 8.380 nan 0.000 0.558 622 E N 0.788 121.101 120.200 0.187 0.000 2.338 622 E HA 0.199 4.607 4.350 0.098 0.000 0.272 622 E C -0.177 176.487 176.600 0.107 0.000 1.029 622 E CA -0.237 56.254 56.400 0.151 0.000 0.872 622 E CB 0.548 30.307 29.700 0.099 0.000 1.015 622 E HN 0.228 nan 8.360 nan 0.000 0.417 623 L N 5.609 126.834 121.223 0.004 0.000 2.257 623 L HA 0.402 4.800 4.340 0.098 0.000 0.290 623 L C 0.415 177.265 176.870 -0.034 0.000 1.044 623 L CA -0.427 54.321 54.840 -0.153 0.000 0.810 623 L CB 0.909 42.549 42.059 -0.698 0.000 1.193 623 L HN 0.408 nan 8.230 nan 0.000 0.425 624 R N 3.504 124.025 120.500 0.036 0.000 2.312 624 R HA 0.345 4.743 4.340 0.098 0.000 0.311 624 R C 0.656 177.033 176.300 0.128 0.000 1.004 624 R CA -0.581 55.565 56.100 0.076 0.000 0.902 624 R CB 1.573 31.904 30.300 0.053 0.000 1.073 624 R HN 0.647 nan 8.270 nan 0.000 0.457 625 L N 1.019 122.328 121.223 0.143 0.000 2.492 625 L HA 0.059 4.458 4.340 0.098 0.000 0.223 625 L C 0.298 177.223 176.870 0.092 0.000 1.132 625 L CA 0.824 55.757 54.840 0.153 0.000 0.850 625 L CB 0.103 42.258 42.059 0.160 0.000 0.966 625 L HN 0.541 nan 8.230 nan 0.000 0.454 626 T N 0.507 115.107 114.554 0.077 0.000 2.842 626 T HA 0.273 4.681 4.350 0.098 0.000 0.308 626 T C 0.565 175.307 174.700 0.069 0.000 1.041 626 T CA -0.517 61.623 62.100 0.066 0.000 0.964 626 T CB 0.931 69.836 68.868 0.063 0.000 0.972 626 T HN 0.086 nan 8.240 nan 0.000 0.460 627 R N 2.338 122.882 120.500 0.074 0.000 4.980 627 R HA 0.055 4.453 4.340 0.098 0.000 0.190 627 R C 0.319 176.771 176.300 0.253 0.000 2.095 627 R CA -0.016 56.153 56.100 0.116 0.000 1.717 627 R CB -0.418 29.918 30.300 0.060 0.000 1.337 627 R HN 0.626 nan 8.270 nan 0.000 0.820 628 D N -0.951 119.541 120.400 0.152 0.000 2.342 628 D HA 0.016 4.715 4.640 0.098 0.000 0.221 628 D C 0.191 176.554 176.300 0.106 0.000 1.101 628 D CA -0.306 53.764 54.000 0.117 0.000 0.837 628 D CB 0.521 41.363 40.800 0.071 0.000 0.938 628 D HN 0.083 nan 8.370 nan 0.000 0.508 629 A N 1.448 124.361 122.820 0.156 0.000 2.807 629 A HA 0.457 4.836 4.320 0.098 0.000 0.307 629 A C -0.346 177.313 177.584 0.126 0.000 1.532 629 A CA -0.519 51.593 52.037 0.124 0.000 1.215 629 A CB -0.459 18.604 19.000 0.105 0.000 1.127 629 A HN 0.264 nan 8.150 nan 0.000 0.543 630 I N 2.175 122.769 120.570 0.039 0.000 2.433 630 I HA 0.444 4.672 4.170 0.098 0.000 0.292 630 I C -0.044 176.059 176.117 -0.023 0.000 1.001 630 I CA -0.445 60.824 61.300 -0.051 0.000 1.119 630 I CB 1.457 39.386 38.000 -0.119 0.000 1.289 630 I HN 0.821 nan 8.210 nan 0.000 0.438 631 E N 6.364 126.546 120.200 -0.031 0.000 2.278 631 E HA 0.537 4.946 4.350 0.098 0.000 0.272 631 E C -3.021 173.543 176.600 -0.060 0.000 0.890 631 E CA -2.050 54.351 56.400 0.002 0.000 0.770 631 E CB 2.181 31.935 29.700 0.089 0.000 1.212 631 E HN 0.151 nan 8.360 nan 0.000 0.415 632 P HA -0.091 nan 4.420 nan 0.000 0.263 632 P C -0.027 177.180 177.300 -0.154 0.000 1.175 632 P CA -0.161 62.872 63.100 -0.111 0.000 0.761 632 P CB 0.387 32.052 31.700 -0.059 0.000 0.794 633 c N 2.750 121.168 118.600 -0.304 0.000 2.837 633 c HA 0.187 4.815 4.570 0.098 0.000 0.381 633 c C 0.887 174.910 174.090 -0.112 0.000 1.298 633 c CA 0.894 56.918 56.329 -0.508 0.000 2.083 633 c CB -0.774 41.419 42.510 -0.528 0.000 2.664 633 c HN 0.553 nan 8.230 nan 0.000 0.736 634 T N 0.862 115.491 114.554 0.126 0.000 3.295 634 T HA 0.329 4.738 4.350 0.098 0.000 0.331 634 T C -0.774 174.107 174.700 0.301 0.000 1.142 634 T CA -0.455 61.785 62.100 0.233 0.000 1.078 634 T CB 1.054 70.088 68.868 0.277 0.000 1.150 634 T HN 0.483 nan 8.240 nan 0.000 0.465 635 V N 1.685 121.703 119.914 0.173 0.000 2.775 635 V HA 0.582 4.761 4.120 0.098 0.000 0.299 635 V C 1.384 177.559 176.094 0.135 0.000 1.062 635 V CA 0.077 62.463 62.300 0.144 0.000 1.063 635 V CB 0.781 32.656 31.823 0.086 0.000 0.994 635 V HN 1.316 nan 8.190 nan 0.000 0.483 636 G N 2.156 111.022 108.800 0.110 0.000 2.352 636 G HA2 -0.284 3.734 3.960 0.098 0.000 0.283 636 G HA3 -0.284 3.734 3.960 0.098 0.000 0.283 636 G C -0.171 174.778 174.900 0.081 0.000 0.946 636 G CA 0.772 45.917 45.100 0.074 0.000 1.317 636 G HN 1.425 nan 8.290 nan 0.000 0.478 637 H N 1.089 120.125 119.070 -0.058 0.000 2.683 637 H HA 0.554 5.168 4.556 0.098 0.000 0.270 637 H C 0.775 175.947 175.328 -0.260 0.000 1.201 637 H CA -0.849 55.093 56.048 -0.177 0.000 1.277 637 H CB 0.395 29.949 29.762 -0.345 0.000 1.400 637 H HN 0.456 nan 8.280 nan 0.000 0.504 638 R N 3.705 123.966 120.500 -0.399 0.000 2.349 638 R HA 0.515 4.914 4.340 0.098 0.000 0.299 638 R C -0.421 175.512 176.300 -0.612 0.000 1.027 638 R CA -0.940 54.903 56.100 -0.429 0.000 0.958 638 R CB 0.986 31.199 30.300 -0.146 0.000 1.047 638 R HN 0.465 nan 8.270 nan 0.000 0.468 639 R N 2.794 122.859 120.500 -0.725 0.000 2.515 639 R HA 0.229 4.627 4.340 0.098 0.000 0.291 639 R C -1.447 174.376 176.300 -0.794 0.000 1.046 639 R CA -0.843 54.791 56.100 -0.777 0.000 0.914 639 R CB 1.282 31.065 30.300 -0.863 0.000 1.191 639 R HN 0.556 nan 8.270 nan 0.000 0.435 640 Y N 2.777 122.755 120.300 -0.536 0.000 2.326 640 Y HA 0.466 5.075 4.550 0.098 0.000 0.337 640 Y C 0.145 175.786 175.900 -0.432 0.000 1.023 640 Y CA -0.175 57.726 58.100 -0.331 0.000 1.143 640 Y CB 1.074 39.323 38.460 -0.351 0.000 1.183 640 Y HN 0.378 nan 8.280 nan 0.000 0.485 641 F N 0.542 120.687 119.950 0.325 0.000 2.532 641 F HA 0.357 4.942 4.527 0.097 0.000 0.321 641 F C 0.271 176.399 175.800 0.547 0.000 1.089 641 F CA -1.191 57.010 58.000 0.335 0.000 0.926 641 F CB 1.825 40.921 39.000 0.160 0.000 1.168 641 F HN 0.255 nan 8.300 nan 0.000 0.459 642 T N 3.753 118.691 114.554 0.640 0.000 2.799 642 T HA 0.180 4.588 4.350 0.098 0.000 0.296 642 T C -1.144 173.799 174.700 0.404 0.000 0.947 642 T CA 0.524 62.830 62.100 0.344 0.000 1.141 642 T CB -0.327 68.662 68.868 0.202 0.000 0.891 642 T HN 0.348 nan 8.240 nan 0.000 0.533 643 F N 3.167 123.190 119.950 0.121 0.000 2.653 643 F HA 0.527 5.113 4.527 0.098 0.000 0.327 643 F C 0.637 176.494 175.800 0.095 0.000 1.195 643 F CA 0.022 58.155 58.000 0.221 0.000 0.993 643 F CB 0.611 39.805 39.000 0.324 0.000 1.259 643 F HN 0.832 nan 8.300 nan 0.000 0.478 644 G N 3.913 112.384 108.800 -0.549 0.000 2.596 644 G HA2 -0.277 3.742 3.960 0.098 0.000 0.295 644 G HA3 -0.277 3.742 3.960 0.098 0.000 0.295 644 G C 1.051 175.732 174.900 -0.365 0.000 1.240 644 G CA 0.210 44.930 45.100 -0.633 0.000 0.985 644 G HN 1.650 nan 8.290 nan 0.000 0.555 645 G N 0.347 109.004 108.800 -0.239 0.000 2.744 645 G HA2 0.526 4.545 3.960 0.098 0.000 0.211 645 G HA3 0.526 4.545 3.960 0.098 0.000 0.211 645 G C 0.864 175.673 174.900 -0.152 0.000 1.143 645 G CA 1.642 46.641 45.100 -0.169 0.000 0.788 645 G HN 1.655 nan 8.290 nan 0.000 0.534 646 G N -1.319 107.402 108.800 -0.132 0.000 3.214 646 G HA2 0.578 4.596 3.960 0.098 0.000 0.188 646 G HA3 0.578 4.596 3.960 0.098 0.000 0.188 646 G C -1.547 173.245 174.900 -0.180 0.000 1.126 646 G CA -0.906 44.122 45.100 -0.121 0.000 0.796 646 G HN 0.060 nan 8.290 nan 0.000 0.631 647 Y N -1.822 118.603 120.300 0.209 0.000 2.536 647 Y HA 0.596 5.204 4.550 0.097 0.000 0.347 647 Y C -0.416 175.660 175.900 0.294 0.000 1.000 647 Y CA -0.865 57.399 58.100 0.273 0.000 1.051 647 Y CB 2.761 41.367 38.460 0.242 0.000 1.259 647 Y HN 0.338 nan 8.280 nan 0.000 0.468 648 V N 3.832 124.073 119.914 0.545 0.000 2.409 648 V HA 0.374 4.553 4.120 0.098 0.000 0.291 648 V C -1.788 174.487 176.094 0.301 0.000 1.020 648 V CA -0.641 61.890 62.300 0.385 0.000 0.848 648 V CB 0.828 32.892 31.823 0.402 0.000 0.990 648 V HN 0.676 nan 8.190 nan 0.000 0.430 649 Y N 7.552 127.731 120.300 -0.202 0.000 2.367 649 Y HA 0.632 5.241 4.550 0.098 0.000 0.342 649 Y C -0.797 174.890 175.900 -0.356 0.000 0.979 649 Y CA -0.780 57.107 58.100 -0.355 0.000 1.161 649 Y CB 0.930 39.030 38.460 -0.601 0.000 1.155 649 Y HN 0.614 nan 8.280 nan 0.000 0.503 650 F N 3.841 123.257 119.950 -0.890 0.000 2.399 650 F HA 0.485 5.071 4.527 0.097 0.000 0.328 650 F C 0.014 175.261 175.800 -0.922 0.000 1.084 650 F CA -0.678 56.937 58.000 -0.642 0.000 1.053 650 F CB 1.390 40.242 39.000 -0.246 0.000 1.209 650 F HN 0.409 nan 8.300 nan 0.000 0.502 651 E N 1.157 121.160 120.200 -0.329 0.000 2.275 651 E HA 0.182 4.590 4.350 0.098 0.000 0.270 651 E C -1.039 175.545 176.600 -0.026 0.000 0.882 651 E CA -0.684 55.582 56.400 -0.223 0.000 0.758 651 E CB 1.691 31.319 29.700 -0.119 0.000 1.195 651 E HN 0.485 nan 8.360 nan 0.000 0.419 652 E N 2.105 122.307 120.200 0.004 0.000 2.228 652 E HA -0.261 4.148 4.350 0.098 0.000 0.213 652 E C -0.680 176.092 176.600 0.287 0.000 1.282 652 E CA 0.999 57.486 56.400 0.146 0.000 0.707 652 E CB -1.611 28.179 29.700 0.150 0.000 1.150 652 E HN 0.766 nan 8.360 nan 0.000 0.362 653 Y N -4.271 116.156 120.300 0.211 0.000 4.753 653 Y HA -0.338 4.271 4.550 0.098 0.000 0.232 653 Y C 0.663 176.744 175.900 0.302 0.000 1.029 653 Y CA 1.001 59.233 58.100 0.220 0.000 1.996 653 Y CB -1.595 36.909 38.460 0.075 0.000 1.602 653 Y HN 0.512 nan 8.280 nan 0.000 0.621 654 A N -0.692 122.344 122.820 0.359 0.000 2.381 654 A HA 0.572 4.950 4.320 0.098 0.000 0.299 654 A C -0.533 177.035 177.584 -0.027 0.000 1.049 654 A CA -0.811 51.368 52.037 0.237 0.000 0.715 654 A CB 0.503 19.591 19.000 0.146 0.000 1.222 654 A HN 0.270 nan 8.150 nan 0.000 0.428 655 Y N 2.367 122.321 120.300 -0.577 0.000 3.073 655 Y HA 0.030 4.638 4.550 0.097 0.000 0.344 655 Y C 1.417 177.053 175.900 -0.439 0.000 1.277 655 Y CA 2.145 59.599 58.100 -1.077 0.000 1.534 655 Y CB 0.695 38.644 38.460 -0.851 0.000 1.273 655 Y HN 0.791 nan 8.280 nan 0.000 0.633 656 S N 2.531 117.522 115.700 -1.181 0.000 3.526 656 S HA 0.196 4.724 4.470 0.098 0.000 0.222 656 S C -0.559 173.641 174.600 -0.666 0.000 1.001 656 S CA 0.498 58.362 58.200 -0.560 0.000 0.831 656 S CB -0.118 63.038 63.200 -0.075 0.000 0.941 656 S HN 0.989 nan 8.310 nan 0.000 0.585 657 H N 0.003 118.512 119.070 -0.935 0.000 2.932 657 H HA 0.526 5.140 4.556 0.097 0.000 0.307 657 H C -1.697 173.567 175.328 -0.107 0.000 1.391 657 H CA -0.725 55.087 56.048 -0.393 0.000 1.130 657 H CB 0.334 30.057 29.762 -0.065 0.000 1.836 657 H HN 0.410 nan 8.280 nan 0.000 0.522 658 Q N 0.415 120.247 119.800 0.053 0.000 2.297 658 Q HA 0.727 5.126 4.340 0.098 0.000 0.269 658 Q C -0.528 175.532 176.000 0.101 0.000 1.051 658 Q CA -1.145 54.710 55.803 0.086 0.000 0.869 658 Q CB 3.060 31.981 28.738 0.305 0.000 1.346 658 Q HN 0.566 nan 8.270 nan 0.000 0.457 659 L N -2.630 118.694 121.223 0.168 0.000 2.622 659 L HA 0.675 5.073 4.340 0.098 0.000 0.258 659 L C -0.516 176.486 176.870 0.220 0.000 0.996 659 L CA -1.172 53.794 54.840 0.209 0.000 0.858 659 L CB 1.819 44.003 42.059 0.209 0.000 1.449 659 L HN 0.639 nan 8.230 nan 0.000 0.411 660 S N -0.109 115.694 115.700 0.172 0.000 2.601 660 S HA 0.407 4.936 4.470 0.098 0.000 0.271 660 S C 0.793 175.488 174.600 0.158 0.000 1.305 660 S CA -0.595 57.680 58.200 0.124 0.000 1.022 660 S CB 1.362 64.614 63.200 0.087 0.000 0.940 660 S HN 0.826 nan 8.310 nan 0.000 0.525 661 R N 1.246 121.799 120.500 0.087 0.000 2.261 661 R HA -0.114 4.285 4.340 0.098 0.000 0.236 661 R C 2.018 178.386 176.300 0.112 0.000 1.141 661 R CA 1.189 57.362 56.100 0.121 0.000 1.001 661 R CB -0.831 29.474 30.300 0.009 0.000 0.866 661 R HN 0.830 nan 8.270 nan 0.000 0.468 662 A N 0.695 123.564 122.820 0.081 0.000 2.206 662 A HA -0.072 4.306 4.320 0.098 0.000 0.211 662 A C 1.128 178.743 177.584 0.052 0.000 1.158 662 A CA 0.839 52.910 52.037 0.056 0.000 0.761 662 A CB 0.100 19.127 19.000 0.044 0.000 0.801 662 A HN 0.128 nan 8.150 nan 0.000 0.473 663 D N -0.257 120.185 120.400 0.069 0.000 2.216 663 D HA 0.119 4.817 4.640 0.098 0.000 0.208 663 D C 0.438 176.743 176.300 0.008 0.000 0.960 663 D CA 0.453 54.480 54.000 0.046 0.000 0.861 663 D CB 0.098 40.941 40.800 0.071 0.000 0.985 663 D HN 0.412 nan 8.370 nan 0.000 0.493 664 I N 1.456 122.026 120.570 0.001 0.000 2.474 664 I HA 0.012 4.241 4.170 0.098 0.000 0.287 664 I C 1.023 177.115 176.117 -0.043 0.000 1.048 664 I CA -0.335 60.924 61.300 -0.068 0.000 1.383 664 I CB 1.305 39.214 38.000 -0.151 0.000 1.412 664 I HN -0.170 nan 8.210 nan 0.000 0.531 665 T N 2.672 117.188 114.554 -0.063 0.000 2.888 665 T HA 0.160 4.569 4.350 0.098 0.000 0.301 665 T C 0.153 174.824 174.700 -0.049 0.000 1.001 665 T CA -0.539 61.533 62.100 -0.047 0.000 1.147 665 T CB 0.166 69.003 68.868 -0.052 0.000 0.931 665 T HN 0.610 nan 8.240 nan 0.000 0.541 666 T N 4.135 118.670 114.554 -0.032 0.000 2.875 666 T HA 0.582 4.990 4.350 0.098 0.000 0.284 666 T C 0.237 174.908 174.700 -0.050 0.000 0.995 666 T CA -0.643 61.436 62.100 -0.035 0.000 1.060 666 T CB 1.142 70.000 68.868 -0.017 0.000 0.967 666 T HN 0.947 nan 8.240 nan 0.000 0.476 667 V N -0.066 119.805 119.914 -0.072 0.000 2.960 667 V HA 0.917 5.095 4.120 0.098 0.000 0.315 667 V C -0.229 175.781 176.094 -0.140 0.000 1.087 667 V CA -0.925 61.324 62.300 -0.085 0.000 0.982 667 V CB 2.038 33.813 31.823 -0.081 0.000 1.039 667 V HN 0.782 nan 8.190 nan 0.000 0.437 668 S N 0.689 116.296 115.700 -0.155 0.000 2.482 668 S HA 0.550 5.078 4.470 0.098 0.000 0.303 668 S C 0.874 175.292 174.600 -0.304 0.000 1.091 668 S CA 0.174 58.195 58.200 -0.298 0.000 1.057 668 S CB 1.689 64.783 63.200 -0.176 0.000 1.031 668 S HN 1.378 nan 8.310 nan 0.000 0.485 669 T N 1.645 115.886 114.554 -0.522 0.000 3.107 669 T HA 0.318 4.726 4.350 0.098 0.000 0.249 669 T C -0.010 174.636 174.700 -0.090 0.000 1.096 669 T CA -0.004 61.926 62.100 -0.283 0.000 1.012 669 T CB -0.526 68.192 68.868 -0.251 0.000 0.977 669 T HN 0.370 nan 8.240 nan 0.000 0.527 670 F N 2.278 122.236 119.950 0.012 0.000 2.420 670 F HA 0.467 5.053 4.527 0.098 0.000 0.352 670 F C 0.639 176.450 175.800 0.019 0.000 1.108 670 F CA -3.085 54.926 58.000 0.020 0.000 1.162 670 F CB 0.278 39.292 39.000 0.022 0.000 1.118 670 F HN 0.030 nan 8.300 nan 0.000 0.510 671 I N 3.827 124.530 120.570 0.222 0.000 2.396 671 I HA 0.091 4.319 4.170 0.098 0.000 0.289 671 I C 0.260 176.447 176.117 0.117 0.000 1.056 671 I CA -0.496 60.882 61.300 0.131 0.000 1.365 671 I CB 0.134 38.192 38.000 0.098 0.000 1.407 671 I HN 0.425 nan 8.210 nan 0.000 0.509 672 D N 5.851 126.307 120.400 0.093 0.000 2.350 672 D HA 0.306 5.005 4.640 0.098 0.000 0.249 672 D C -0.361 175.967 176.300 0.047 0.000 1.119 672 D CA -0.134 53.907 54.000 0.068 0.000 0.886 672 D CB 2.162 42.998 40.800 0.060 0.000 1.195 672 D HN 0.191 nan 8.370 nan 0.000 0.437 673 L N 3.099 124.341 121.223 0.032 0.000 2.372 673 L HA 0.304 4.702 4.340 0.098 0.000 0.274 673 L C -0.684 176.191 176.870 0.010 0.000 0.988 673 L CA -0.526 54.327 54.840 0.022 0.000 0.833 673 L CB 1.364 43.435 42.059 0.021 0.000 1.236 673 L HN 0.102 nan 8.230 nan 0.000 0.410 674 N N 5.650 124.356 118.700 0.009 0.000 3.234 674 N HA 0.230 5.029 4.740 0.098 0.000 0.272 674 N C -0.934 174.575 175.510 -0.001 0.000 1.254 674 N CA -0.382 52.671 53.050 0.005 0.000 1.087 674 N CB -0.034 38.458 38.487 0.008 0.000 1.356 674 N HN 0.416 nan 8.380 nan 0.000 0.511 675 I N 1.844 122.409 120.570 -0.007 0.000 2.371 675 I HA 0.188 4.417 4.170 0.098 0.000 0.290 675 I C 0.888 176.998 176.117 -0.011 0.000 1.028 675 I CA -0.177 61.116 61.300 -0.012 0.000 1.345 675 I CB 0.489 38.475 38.000 -0.022 0.000 1.407 675 I HN 0.244 nan 8.210 nan 0.000 0.501 676 T N 4.344 118.894 114.554 -0.008 0.000 2.924 676 T HA 0.685 5.093 4.350 0.098 0.000 0.291 676 T C -0.072 174.624 174.700 -0.006 0.000 1.045 676 T CA -1.021 61.075 62.100 -0.006 0.000 1.015 676 T CB 1.819 70.685 68.868 -0.003 0.000 1.103 676 T HN 0.333 nan 8.240 nan 0.000 0.496 677 M N 2.135 121.733 119.600 -0.004 0.000 2.211 677 M HA 0.331 4.870 4.480 0.098 0.000 0.356 677 M C -0.207 176.096 176.300 0.005 0.000 1.216 677 M CA -0.910 54.390 55.300 -0.000 0.000 1.134 677 M CB 0.897 33.497 32.600 0.001 0.000 1.564 677 M HN 0.596 nan 8.290 nan 0.000 0.463 678 L N 4.828 126.056 121.223 0.008 0.000 2.462 678 L HA 0.105 4.503 4.340 0.098 0.000 0.272 678 L C 0.394 177.277 176.870 0.023 0.000 1.166 678 L CA 0.306 55.155 54.840 0.014 0.000 0.880 678 L CB 0.171 42.241 42.059 0.019 0.000 1.142 678 L HN 0.652 nan 8.230 nan 0.000 0.473 679 E N 3.666 123.880 120.200 0.024 0.000 2.280 679 E HA 0.180 4.589 4.350 0.098 0.000 0.264 679 E C -0.951 175.681 176.600 0.054 0.000 1.064 679 E CA -0.719 55.700 56.400 0.031 0.000 0.900 679 E CB 0.585 30.298 29.700 0.023 0.000 1.123 679 E HN 0.583 nan 8.360 nan 0.000 0.418 680 D N 1.211 121.641 120.400 0.049 0.000 2.548 680 D HA -0.009 4.689 4.640 0.098 0.000 0.231 680 D C -0.120 176.236 176.300 0.093 0.000 1.142 680 D CA 0.947 54.984 54.000 0.061 0.000 0.866 680 D CB 0.149 40.965 40.800 0.027 0.000 1.190 680 D HN 0.387 nan 8.370 nan 0.000 0.469 681 H N 0.647 119.701 119.070 -0.027 0.000 2.894 681 H HA 0.215 4.829 4.556 0.097 0.000 0.367 681 H C -1.182 174.069 175.328 -0.129 0.000 1.144 681 H CA -0.625 55.348 56.048 -0.125 0.000 1.180 681 H CB 1.869 31.497 29.762 -0.224 0.000 1.758 681 H HN 0.494 nan 8.280 nan 0.000 0.541 682 E N 5.175 124.930 120.200 -0.743 0.000 2.151 682 E HA 0.238 4.647 4.350 0.098 0.000 0.275 682 E C -1.331 174.927 176.600 -0.570 0.000 0.936 682 E CA -0.699 55.450 56.400 -0.418 0.000 0.777 682 E CB 0.804 30.340 29.700 -0.275 0.000 1.108 682 E HN 0.236 nan 8.360 nan 0.000 0.401 683 F N 4.229 124.140 119.950 -0.067 0.000 2.411 683 F HA 0.193 4.779 4.527 0.097 0.000 0.355 683 F C 0.417 176.213 175.800 -0.008 0.000 1.117 683 F CA -0.698 57.314 58.000 0.019 0.000 1.139 683 F CB 1.375 40.421 39.000 0.077 0.000 1.120 683 F HN 0.296 nan 8.300 nan 0.000 0.493 684 V N 1.739 121.723 119.914 0.117 0.000 2.863 684 V HA 0.601 4.780 4.120 0.098 0.000 0.307 684 V C -2.309 173.840 176.094 0.092 0.000 1.061 684 V CA -2.364 59.978 62.300 0.069 0.000 1.024 684 V CB 0.398 32.232 31.823 0.018 0.000 1.049 684 V HN 0.517 nan 8.190 nan 0.000 0.471 685 P HA 0.455 nan 4.420 nan 0.000 0.263 685 P C -0.999 176.329 177.300 0.047 0.000 1.195 685 P CA 0.178 63.310 63.100 0.054 0.000 0.762 685 P CB 0.430 32.152 31.700 0.038 0.000 0.799 686 L N 2.894 124.146 121.223 0.049 0.000 2.516 686 L HA 0.380 4.778 4.340 0.098 0.000 0.267 686 L C -0.724 176.161 176.870 0.025 0.000 0.957 686 L CA -0.190 54.671 54.840 0.035 0.000 0.860 686 L CB 1.849 43.935 42.059 0.046 0.000 1.265 686 L HN 0.303 nan 8.230 nan 0.000 0.403 687 E N 2.936 123.143 120.200 0.010 0.000 2.227 687 E HA 0.415 4.823 4.350 0.098 0.000 0.268 687 E C 0.024 176.592 176.600 -0.053 0.000 0.907 687 E CA -0.815 55.587 56.400 0.003 0.000 0.786 687 E CB 2.531 32.248 29.700 0.028 0.000 1.191 687 E HN 0.453 nan 8.360 nan 0.000 0.411 688 V N 1.407 121.260 119.914 -0.102 0.000 2.379 688 V HA -0.071 4.107 4.120 0.098 0.000 0.243 688 V C -0.079 175.728 176.094 -0.478 0.000 1.035 688 V CA 1.131 63.244 62.300 -0.312 0.000 1.035 688 V CB -0.132 31.465 31.823 -0.376 0.000 0.673 688 V HN 0.549 nan 8.190 nan 0.000 0.457 689 Y N 0.320 120.640 120.300 0.032 0.000 2.326 689 Y HA 0.463 5.073 4.550 0.100 0.000 0.329 689 Y C 0.686 176.609 175.900 0.038 0.000 0.973 689 Y CA -0.938 57.181 58.100 0.033 0.000 1.162 689 Y CB 1.380 39.855 38.460 0.024 0.000 1.147 689 Y HN 0.089 nan 8.280 nan 0.000 0.456 690 T N -0.988 113.678 114.554 0.187 0.000 2.748 690 T HA 0.123 4.531 4.350 0.098 0.000 0.304 690 T C 1.328 176.112 174.700 0.139 0.000 1.041 690 T CA -0.515 61.670 62.100 0.141 0.000 1.033 690 T CB 0.939 69.889 68.868 0.136 0.000 0.995 690 T HN 0.889 nan 8.240 nan 0.000 0.536 691 R N 0.293 120.861 120.500 0.112 0.000 2.115 691 R HA -0.150 4.249 4.340 0.098 0.000 0.230 691 R C 2.203 178.551 176.300 0.081 0.000 1.111 691 R CA 1.732 57.882 56.100 0.083 0.000 0.976 691 R CB -1.185 29.155 30.300 0.068 0.000 0.870 691 R HN 0.904 nan 8.270 nan 0.000 0.445 692 H N 1.000 120.094 119.070 0.040 0.000 2.422 692 H HA -0.049 4.566 4.556 0.098 0.000 0.298 692 H C 1.378 176.727 175.328 0.035 0.000 1.098 692 H CA 2.162 58.230 56.048 0.033 0.000 1.315 692 H CB 0.117 29.898 29.762 0.032 0.000 1.382 692 H HN 0.475 nan 8.280 nan 0.000 0.523 693 E N -0.234 119.967 120.200 0.002 0.000 2.158 693 E HA -0.045 4.364 4.350 0.098 0.000 0.191 693 E C 2.176 178.716 176.600 -0.101 0.000 0.982 693 E CA 0.869 57.252 56.400 -0.028 0.000 0.823 693 E CB 0.197 29.994 29.700 0.161 0.000 0.766 693 E HN 0.575 nan 8.360 nan 0.000 0.468 694 I N 1.395 121.925 120.570 -0.068 0.000 2.133 694 I HA -0.279 3.949 4.170 0.098 0.000 0.238 694 I C 2.623 178.674 176.117 -0.109 0.000 1.074 694 I CA 1.164 62.409 61.300 -0.091 0.000 1.342 694 I CB -0.285 37.693 38.000 -0.038 0.000 1.053 694 I HN -0.013 nan 8.210 nan 0.000 0.404 695 K N 1.169 121.503 120.400 -0.109 0.000 2.044 695 K HA -0.304 4.074 4.320 0.098 0.000 0.210 695 K C 1.735 178.248 176.600 -0.144 0.000 1.049 695 K CA 2.448 58.671 56.287 -0.108 0.000 0.927 695 K CB -0.227 32.217 32.500 -0.092 0.000 0.713 695 K HN 0.222 nan 8.250 nan 0.000 0.443 696 D N -0.311 119.940 120.400 -0.248 0.000 2.350 696 D HA -0.091 4.607 4.640 0.098 0.000 0.216 696 D C 1.499 177.722 176.300 -0.128 0.000 0.968 696 D CA 1.052 54.922 54.000 -0.217 0.000 0.894 696 D CB 0.048 40.644 40.800 -0.340 0.000 0.909 696 D HN 0.305 nan 8.370 nan 0.000 0.520 697 S N -1.166 114.459 115.700 -0.126 0.000 2.607 697 S HA 0.138 4.666 4.470 0.098 0.000 0.224 697 S C 1.155 175.708 174.600 -0.080 0.000 0.969 697 S CA -0.097 58.040 58.200 -0.104 0.000 0.927 697 S CB -0.144 62.973 63.200 -0.138 0.000 0.772 697 S HN 0.198 nan 8.310 nan 0.000 0.533 698 G N 1.438 110.196 108.800 -0.070 0.000 2.355 698 G HA2 0.486 4.504 3.960 0.098 0.000 0.276 698 G HA3 0.486 4.504 3.960 0.098 0.000 0.276 698 G C 0.463 175.343 174.900 -0.034 0.000 1.198 698 G CA -0.606 44.466 45.100 -0.047 0.000 0.876 698 G HN 0.297 nan 8.290 nan 0.000 0.478 699 L N 3.271 124.478 121.223 -0.028 0.000 1.994 699 L HA 0.170 4.569 4.340 0.098 0.000 0.208 699 L C 1.143 178.009 176.870 -0.007 0.000 1.071 699 L CA 1.508 56.337 54.840 -0.019 0.000 0.745 699 L CB -0.418 41.629 42.059 -0.020 0.000 0.892 699 L HN 0.422 nan 8.230 nan 0.000 0.431 700 L N 0.366 121.590 121.223 0.002 0.000 2.317 700 L HA 0.275 4.673 4.340 0.098 0.000 0.281 700 L C -0.914 175.977 176.870 0.035 0.000 1.024 700 L CA -0.628 54.225 54.840 0.021 0.000 0.810 700 L CB 1.422 43.501 42.059 0.033 0.000 1.240 700 L HN 0.061 nan 8.230 nan 0.000 0.427 701 D N 1.335 121.758 120.400 0.039 0.000 2.443 701 D HA 0.054 4.753 4.640 0.098 0.000 0.221 701 D C 0.640 176.991 176.300 0.084 0.000 1.097 701 D CA -0.339 53.693 54.000 0.053 0.000 0.865 701 D CB 0.692 41.506 40.800 0.023 0.000 1.034 701 D HN 0.366 nan 8.370 nan 0.000 0.511 702 Y N 3.131 123.428 120.300 -0.004 0.000 2.096 702 Y HA -0.327 4.225 4.550 0.004 0.000 0.278 702 Y C 1.840 177.743 175.900 0.005 0.000 1.192 702 Y CA 2.343 60.444 58.100 0.001 0.000 1.143 702 Y CB -0.625 37.836 38.460 0.002 0.000 0.963 702 Y HN 0.389 nan 8.280 nan 0.000 0.505 703 T N 0.504 115.010 114.554 -0.079 0.000 2.684 703 T HA -0.234 4.175 4.350 0.098 0.000 0.267 703 T C 1.806 176.425 174.700 -0.135 0.000 1.036 703 T CA 1.545 63.553 62.100 -0.154 0.000 1.148 703 T CB -0.408 68.441 68.868 -0.033 0.000 0.863 703 T HN 0.417 nan 8.240 nan 0.000 0.436 704 E N 0.840 121.003 120.200 -0.062 0.000 2.097 704 E HA -0.138 4.270 4.350 0.098 0.000 0.196 704 E C 2.269 178.835 176.600 -0.056 0.000 1.000 704 E CA 1.174 57.549 56.400 -0.040 0.000 0.804 704 E CB -0.304 29.390 29.700 -0.009 0.000 0.740 704 E HN 0.329 nan 8.360 nan 0.000 0.454 705 V N 1.433 121.302 119.914 -0.074 0.000 2.379 705 V HA -0.202 3.976 4.120 0.098 0.000 0.245 705 V C 2.592 178.626 176.094 -0.101 0.000 1.044 705 V CA 1.539 63.803 62.300 -0.059 0.000 1.036 705 V CB -0.399 31.413 31.823 -0.017 0.000 0.664 705 V HN 0.220 nan 8.190 nan 0.000 0.453 706 Q N -0.249 119.415 119.800 -0.226 0.000 2.119 706 Q HA -0.133 4.266 4.340 0.098 0.000 0.201 706 Q C 2.389 178.315 176.000 -0.123 0.000 0.972 706 Q CA 1.107 56.776 55.803 -0.222 0.000 0.847 706 Q CB -0.499 27.985 28.738 -0.425 0.000 0.903 706 Q HN 0.448 nan 8.270 nan 0.000 0.433 707 R N 0.882 121.314 120.500 -0.113 0.000 2.096 707 R HA -0.075 4.323 4.340 0.098 0.000 0.235 707 R C 2.063 178.345 176.300 -0.030 0.000 1.127 707 R CA 1.146 57.208 56.100 -0.064 0.000 0.968 707 R CB 0.003 30.270 30.300 -0.056 0.000 0.861 707 R HN 0.164 nan 8.270 nan 0.000 0.440 708 R N -0.190 120.300 120.500 -0.017 0.000 2.075 708 R HA 0.021 4.420 4.340 0.098 0.000 0.226 708 R C 2.081 178.418 176.300 0.062 0.000 1.114 708 R CA 1.272 57.386 56.100 0.023 0.000 0.972 708 R CB -0.195 30.125 30.300 0.033 0.000 0.869 708 R HN 0.416 nan 8.270 nan 0.000 0.437 709 N N 0.353 119.074 118.700 0.036 0.000 2.104 709 N HA -0.201 4.597 4.740 0.098 0.000 0.190 709 N C 1.466 177.019 175.510 0.072 0.000 1.024 709 N CA 1.125 54.205 53.050 0.050 0.000 0.853 709 N CB 0.033 38.520 38.487 -0.000 0.000 1.008 709 N HN 0.321 nan 8.380 nan 0.000 0.424 710 Q N 0.178 119.998 119.800 0.034 0.000 2.424 710 Q HA 0.116 4.514 4.340 0.098 0.000 0.204 710 Q C 1.618 177.644 176.000 0.044 0.000 0.933 710 Q CA 0.177 56.001 55.803 0.034 0.000 0.929 710 Q CB 0.367 29.105 28.738 -0.001 0.000 1.037 710 Q HN 0.406 nan 8.270 nan 0.000 0.511 711 L N -0.462 120.786 121.223 0.042 0.000 2.478 711 L HA -0.086 4.313 4.340 0.098 0.000 0.223 711 L C 2.004 178.891 176.870 0.028 0.000 1.140 711 L CA 0.383 55.228 54.840 0.007 0.000 0.842 711 L CB -0.271 41.767 42.059 -0.034 0.000 0.953 711 L HN 0.306 nan 8.230 nan 0.000 0.452 712 H N 0.946 120.042 119.070 0.043 0.000 2.267 712 H HA -0.271 4.350 4.556 0.107 0.000 0.291 712 H C 1.820 177.232 175.328 0.139 0.000 1.094 712 H CA 2.514 58.658 56.048 0.160 0.000 1.227 712 H CB 0.176 30.041 29.762 0.171 0.000 1.351 712 H HN 0.260 nan 8.280 nan 0.000 0.483 713 D N -0.119 120.403 120.400 0.203 0.000 2.144 713 D HA -0.114 4.584 4.640 0.098 0.000 0.200 713 D C 2.492 178.798 176.300 0.010 0.000 0.978 713 D CA 0.943 55.020 54.000 0.127 0.000 0.833 713 D CB -0.215 40.653 40.800 0.113 0.000 0.961 713 D HN 0.423 nan 8.370 nan 0.000 0.470 714 L N 0.362 121.565 121.223 -0.033 0.000 2.046 714 L HA -0.116 4.282 4.340 0.098 0.000 0.208 714 L C 2.521 179.286 176.870 -0.175 0.000 1.077 714 L CA 1.142 55.933 54.840 -0.081 0.000 0.747 714 L CB -0.207 41.807 42.059 -0.074 0.000 0.896 714 L HN -0.071 nan 8.230 nan 0.000 0.432 715 R N -1.071 119.228 120.500 -0.336 0.000 2.161 715 R HA 0.013 4.411 4.340 0.098 0.000 0.213 715 R C 1.231 177.107 176.300 -0.706 0.000 1.055 715 R CA 0.967 56.679 56.100 -0.646 0.000 0.996 715 R CB 0.114 29.770 30.300 -1.073 0.000 0.901 715 R HN 0.285 nan 8.270 nan 0.000 0.456 716 F N -1.158 118.701 119.950 -0.152 0.000 2.781 716 F HA 0.434 5.016 4.527 0.092 0.000 0.322 716 F C 0.610 176.361 175.800 -0.081 0.000 1.108 716 F CA -0.592 57.315 58.000 -0.155 0.000 1.179 716 F CB 1.066 39.879 39.000 -0.311 0.000 1.072 716 F HN -0.040 nan 8.300 nan 0.000 0.545 717 A N -0.491 122.371 122.820 0.069 0.000 4.431 717 A HA 0.625 5.004 4.320 0.098 0.000 0.247 717 A C -1.700 175.898 177.584 0.023 0.000 0.974 717 A CA -0.311 51.762 52.037 0.061 0.000 0.633 717 A CB 0.872 19.923 19.000 0.085 0.000 1.698 717 A HN -0.080 nan 8.150 nan 0.000 0.843 718 D N 0.187 120.600 120.400 0.022 0.000 2.318 718 D HA 0.251 4.949 4.640 0.098 0.000 0.233 718 D C 0.226 176.530 176.300 0.007 0.000 1.348 718 D CA -0.124 53.880 54.000 0.006 0.000 0.983 718 D CB 0.357 41.157 40.800 0.001 0.000 1.416 718 D HN 0.637 nan 8.370 nan 0.000 0.558 719 I N -0.746 119.827 120.570 0.006 0.000 3.550 719 I HA 0.163 4.391 4.170 0.098 0.000 0.295 719 I C 0.069 176.186 176.117 -0.000 0.000 1.291 719 I CA 0.476 61.780 61.300 0.007 0.000 1.298 719 I CB 0.239 38.244 38.000 0.008 0.000 1.026 719 I HN -0.035 nan 8.210 nan 0.000 0.491 720 D N 0.509 120.906 120.400 -0.006 0.000 2.753 720 D HA 0.070 4.769 4.640 0.098 0.000 0.291 720 D C 0.616 176.906 176.300 -0.017 0.000 1.075 720 D CA 0.524 54.519 54.000 -0.009 0.000 0.946 720 D CB 0.064 40.859 40.800 -0.008 0.000 1.376 720 D HN 0.138 nan 8.370 nan 0.000 0.482 721 T N 2.248 116.789 114.554 -0.022 0.000 2.829 721 T HA 0.189 4.598 4.350 0.098 0.000 0.293 721 T C 0.300 174.960 174.700 -0.067 0.000 0.970 721 T CA 0.106 62.182 62.100 -0.039 0.000 1.168 721 T CB 0.891 69.737 68.868 -0.036 0.000 0.911 721 T HN -0.230 nan 8.240 nan 0.000 0.535 722 V N 6.338 126.191 119.914 -0.101 0.000 2.383 722 V HA 0.318 4.496 4.120 0.098 0.000 0.275 722 V C 0.397 176.252 176.094 -0.399 0.000 1.036 722 V CA -0.908 61.290 62.300 -0.170 0.000 0.889 722 V CB 0.797 32.554 31.823 -0.110 0.000 0.985 722 V HN 0.681 nan 8.190 nan 0.000 0.459 723 I N 5.406 125.770 120.570 -0.344 0.000 2.677 723 I HA 0.596 4.825 4.170 0.098 0.000 0.305 723 I C 0.397 176.250 176.117 -0.440 0.000 0.988 723 I CA -0.081 60.969 61.300 -0.417 0.000 1.260 723 I CB 1.161 39.069 38.000 -0.154 0.000 1.410 723 I HN 0.828 nan 8.210 nan 0.000 0.523 724 H N 0.000 119.076 119.070 0.010 0.000 2.539 724 H HA 0.000 4.615 4.556 0.098 0.000 0.296 724 H CA 0.000 56.054 56.048 0.010 0.000 1.023 724 H CB 0.000 29.767 29.762 0.008 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496