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 2xaq_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYTL 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.133 177.300 -0.279 0.000 1.155 171 P CA 0.000 62.905 63.100 -0.325 0.000 0.800 171 P CB 0.000 31.401 31.700 -0.499 0.000 0.726 172 S N -0.309 115.270 115.700 -0.203 0.000 2.672 172 S HA 0.873 5.343 4.470 -0.000 0.000 0.271 172 S C 0.308 174.818 174.600 -0.150 0.000 1.171 172 S CA 0.471 58.574 58.200 -0.161 0.000 0.817 172 S CB 1.613 64.733 63.200 -0.132 0.000 1.150 172 S HN 1.542 nan 8.310 nan 0.000 0.478 173 G N 0.113 108.837 108.800 -0.127 0.000 2.596 173 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.258 173 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.258 173 G C 0.811 175.619 174.900 -0.154 0.000 1.207 173 G CA 1.216 46.238 45.100 -0.130 0.000 0.954 173 G HN 1.900 nan 8.290 nan 0.000 0.551 174 V N -0.874 118.912 119.914 -0.213 0.000 2.446 174 V HA 0.145 4.265 4.120 -0.000 0.000 0.244 174 V C 2.404 178.377 176.094 -0.202 0.000 1.039 174 V CA 2.594 64.737 62.300 -0.263 0.000 1.045 174 V CB -0.966 30.574 31.823 -0.473 0.000 0.681 174 V HN 0.692 nan 8.190 nan 0.000 0.459 175 E N 1.599 121.661 120.200 -0.230 0.000 2.204 175 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 175 E C 2.300 178.845 176.600 -0.092 0.000 0.990 175 E CA 1.206 57.473 56.400 -0.221 0.000 0.821 175 E CB -0.495 28.902 29.700 -0.505 0.000 0.750 175 E HN 0.686 nan 8.360 nan 0.000 0.477 176 G N 1.389 110.118 108.800 -0.117 0.000 2.418 176 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 176 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 176 G C 1.681 176.602 174.900 0.035 0.000 1.158 176 G CA 0.772 45.822 45.100 -0.084 0.000 0.771 176 G HN 0.354 nan 8.290 nan 0.000 0.545 177 A N 0.785 123.602 122.820 -0.005 0.000 2.067 177 A HA 0.413 4.733 4.320 -0.000 0.000 0.219 177 A C 2.681 180.298 177.584 0.054 0.000 1.158 177 A CA 1.882 53.932 52.037 0.020 0.000 0.661 177 A CB -0.482 18.506 19.000 -0.020 0.000 0.801 177 A HN 0.648 nan 8.150 nan 0.000 0.452 178 A N -0.407 122.451 122.820 0.064 0.000 1.825 178 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 178 A C 2.020 179.680 177.584 0.127 0.000 1.206 178 A CA 1.427 53.515 52.037 0.085 0.000 0.609 178 A CB -1.064 18.009 19.000 0.121 0.000 0.851 178 A HN 0.777 nan 8.150 nan 0.000 0.445 179 F N 0.712 120.669 119.950 0.011 0.000 2.063 179 F HA -0.362 4.165 4.527 -0.000 0.000 0.298 179 F C 2.400 178.184 175.800 -0.028 0.000 1.105 179 F CA 2.673 60.678 58.000 0.008 0.000 1.215 179 F CB -0.205 38.806 39.000 0.018 0.000 0.972 179 F HN 0.353 nan 8.300 nan 0.000 0.483 180 Q N 0.153 120.186 119.800 0.388 0.000 2.364 180 Q HA -0.108 4.232 4.340 -0.000 0.000 0.207 180 Q C 1.769 177.754 176.000 -0.025 0.000 0.970 180 Q CA 1.775 57.683 55.803 0.176 0.000 0.888 180 Q CB -0.359 28.470 28.738 0.151 0.000 0.951 180 Q HN 0.372 nan 8.270 nan 0.000 0.469 181 S N -0.739 114.956 115.700 -0.009 0.000 2.524 181 S HA 0.285 4.755 4.470 -0.000 0.000 0.215 181 S C -0.376 174.162 174.600 -0.103 0.000 0.986 181 S CA -0.040 58.142 58.200 -0.031 0.000 0.911 181 S CB 0.108 63.328 63.200 0.033 0.000 0.805 181 S HN 0.490 nan 8.310 nan 0.000 0.501 182 R N -0.052 120.361 120.500 -0.145 0.000 3.461 182 R HA -0.092 4.248 4.340 -0.000 0.000 0.302 182 R C -1.491 174.744 176.300 -0.107 0.000 1.137 182 R CA 0.228 56.223 56.100 -0.175 0.000 0.796 182 R CB -2.190 28.007 30.300 -0.173 0.000 1.413 182 R HN 0.247 nan 8.270 nan 0.000 0.454 183 L N 0.018 121.208 121.223 -0.056 0.000 2.388 183 L HA 0.630 4.970 4.340 -0.000 0.000 0.264 183 L C -2.286 174.591 176.870 0.011 0.000 0.998 183 L CA -2.392 52.436 54.840 -0.020 0.000 0.817 183 L CB 1.887 43.947 42.059 0.002 0.000 1.338 183 L HN -0.234 nan 8.230 nan 0.000 0.414 184 P HA 0.118 nan 4.420 nan 0.000 0.276 184 P C -0.230 177.052 177.300 -0.030 0.000 1.235 184 P CA -0.192 62.896 63.100 -0.020 0.000 0.772 184 P CB 0.508 32.176 31.700 -0.053 0.000 0.871 185 H N 1.301 120.386 119.070 0.026 0.000 2.457 185 H HA -0.073 4.482 4.556 -0.000 0.000 0.294 185 H C 0.161 175.484 175.328 -0.009 0.000 1.064 185 H CA 1.354 57.399 56.048 -0.005 0.000 1.330 185 H CB -0.484 29.273 29.762 -0.008 0.000 1.395 185 H HN 0.259 nan 8.280 nan 0.000 0.541 186 D N -0.509 119.578 120.400 -0.521 0.000 2.891 186 D HA 0.254 4.894 4.640 -0.000 0.000 0.312 186 D C 0.021 176.248 176.300 -0.121 0.000 1.354 186 D CA -0.599 53.257 54.000 -0.240 0.000 0.838 186 D CB 0.204 40.839 40.800 -0.274 0.000 1.117 186 D HN 0.448 nan 8.370 nan 0.000 0.473 187 R N -0.410 120.050 120.500 -0.067 0.000 2.690 187 R HA 0.428 4.768 4.340 -0.000 0.000 0.269 187 R C -1.427 174.891 176.300 0.030 0.000 1.037 187 R CA -0.716 55.377 56.100 -0.012 0.000 0.877 187 R CB 1.347 31.628 30.300 -0.032 0.000 1.255 187 R HN 0.036 nan 8.270 nan 0.000 0.467 188 M N 2.805 122.440 119.600 0.058 0.000 2.157 188 M HA 0.205 4.685 4.480 -0.000 0.000 0.354 188 M C 0.514 176.847 176.300 0.055 0.000 1.170 188 M CA -0.563 54.794 55.300 0.094 0.000 1.060 188 M CB 1.689 34.344 32.600 0.092 0.000 1.615 188 M HN 0.810 nan 8.290 nan 0.000 0.460 189 T N -0.634 113.959 114.554 0.065 0.000 2.680 189 T HA 0.024 4.374 4.350 -0.000 0.000 0.314 189 T C 1.146 175.875 174.700 0.048 0.000 1.045 189 T CA -0.121 62.010 62.100 0.051 0.000 1.025 189 T CB 0.883 69.793 68.868 0.069 0.000 1.000 189 T HN 0.701 nan 8.240 nan 0.000 0.535 190 S N 0.116 115.841 115.700 0.040 0.000 2.436 190 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 190 S C 2.048 176.685 174.600 0.061 0.000 1.014 190 S CA 1.223 59.446 58.200 0.038 0.000 0.950 190 S CB -0.630 62.585 63.200 0.025 0.000 0.784 190 S HN 0.889 nan 8.310 nan 0.000 0.504 191 Q N -0.051 119.803 119.800 0.090 0.000 2.425 191 Q HA 0.202 4.542 4.340 -0.000 0.000 0.204 191 Q C 1.535 177.666 176.000 0.218 0.000 0.933 191 Q CA 0.698 56.585 55.803 0.140 0.000 0.939 191 Q CB -0.139 28.668 28.738 0.114 0.000 1.044 191 Q HN 0.535 nan 8.270 nan 0.000 0.513 192 E N 1.419 121.701 120.200 0.136 0.000 2.004 192 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 192 E C 2.113 178.726 176.600 0.022 0.000 0.987 192 E CA 0.910 57.293 56.400 -0.028 0.000 0.822 192 E CB -0.315 29.352 29.700 -0.055 0.000 0.779 192 E HN 0.460 nan 8.360 nan 0.000 0.458 193 A N 1.599 124.419 122.820 0.000 0.000 1.984 193 A HA -0.351 3.969 4.320 -0.000 0.000 0.224 193 A C 2.356 179.971 177.584 0.052 0.000 1.256 193 A CA 2.457 54.502 52.037 0.014 0.000 0.679 193 A CB -1.184 17.821 19.000 0.007 0.000 0.829 193 A HN 0.377 nan 8.150 nan 0.000 0.483 194 A N -3.012 119.855 122.820 0.078 0.000 2.186 194 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 194 A C 1.951 179.585 177.584 0.084 0.000 1.159 194 A CA 1.737 53.821 52.037 0.077 0.000 0.680 194 A CB -0.679 18.380 19.000 0.098 0.000 0.787 194 A HN 0.728 nan 8.150 nan 0.000 0.467 195 C N -3.879 115.513 119.300 0.153 0.000 3.919 195 C HA 0.446 4.906 4.460 -0.000 0.000 0.422 195 C C -0.158 174.813 174.990 -0.030 0.000 1.533 195 C CA -0.250 58.869 59.018 0.167 0.000 2.014 195 C CB -0.181 27.846 27.740 0.478 0.000 2.967 195 C HN 0.482 nan 8.230 nan 0.000 0.692 196 F N 0.792 120.627 119.950 -0.192 0.000 2.576 196 F HA 0.325 4.852 4.527 -0.000 0.000 0.365 196 F C -1.982 173.682 175.800 -0.227 0.000 1.506 196 F CA -1.793 56.044 58.000 -0.271 0.000 1.113 196 F CB 0.027 38.707 39.000 -0.533 0.000 1.293 196 F HN -0.020 nan 8.300 nan 0.000 0.540 197 P HA -0.159 nan 4.420 nan 0.000 0.217 197 P C 1.143 178.412 177.300 -0.051 0.000 1.150 197 P CA 1.724 64.799 63.100 -0.042 0.000 0.832 197 P CB 0.131 31.800 31.700 -0.052 0.000 0.787 198 D N 0.211 120.569 120.400 -0.069 0.000 2.106 198 D HA -0.215 4.424 4.640 -0.000 0.000 0.191 198 D C 1.713 177.984 176.300 -0.048 0.000 0.997 198 D CA 1.380 55.345 54.000 -0.058 0.000 0.834 198 D CB -1.452 39.305 40.800 -0.071 0.000 0.956 198 D HN 0.176 nan 8.370 nan 0.000 0.448 199 I N -0.249 120.283 120.570 -0.063 0.000 2.394 199 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 199 I C 2.546 178.619 176.117 -0.074 0.000 1.136 199 I CA 0.681 61.933 61.300 -0.079 0.000 1.425 199 I CB -0.216 37.668 38.000 -0.193 0.000 1.079 199 I HN 0.102 nan 8.210 nan 0.000 0.425 200 I N 0.571 121.093 120.570 -0.079 0.000 2.480 200 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 200 I C 2.558 178.660 176.117 -0.025 0.000 1.124 200 I CA 1.091 62.359 61.300 -0.052 0.000 1.444 200 I CB 0.120 38.088 38.000 -0.053 0.000 1.098 200 I HN 0.223 nan 8.210 nan 0.000 0.428 201 S N 0.629 116.314 115.700 -0.025 0.000 2.447 201 S HA 0.052 4.522 4.470 -0.000 0.000 0.233 201 S C 1.437 176.031 174.600 -0.011 0.000 1.006 201 S CA 0.315 58.505 58.200 -0.017 0.000 0.957 201 S CB -1.201 61.987 63.200 -0.020 0.000 0.773 201 S HN 0.481 nan 8.310 nan 0.000 0.507 202 G N 2.728 111.521 108.800 -0.012 0.000 2.593 202 G HA2 0.408 4.368 3.960 -0.000 0.000 0.279 202 G HA3 0.408 4.368 3.960 -0.000 0.000 0.279 202 G C -2.743 172.162 174.900 0.010 0.000 1.329 202 G CA -0.848 44.251 45.100 -0.001 0.000 1.036 202 G HN 0.360 nan 8.290 nan 0.000 0.555 203 P HA 0.306 nan 4.420 nan 0.000 0.285 203 P C 0.536 177.861 177.300 0.041 0.000 1.280 203 P CA -0.756 62.360 63.100 0.026 0.000 0.862 203 P CB 1.354 33.069 31.700 0.024 0.000 1.153 204 Q N 0.274 120.100 119.800 0.043 0.000 2.082 204 Q HA -0.279 4.061 4.340 -0.000 0.000 0.211 204 Q C 1.827 177.872 176.000 0.075 0.000 1.002 204 Q CA 2.057 57.894 55.803 0.056 0.000 0.868 204 Q CB -0.787 27.981 28.738 0.049 0.000 0.931 204 Q HN 0.459 nan 8.270 nan 0.000 0.414 205 Q N -0.119 119.723 119.800 0.069 0.000 2.030 205 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 205 Q C 2.041 178.104 176.000 0.106 0.000 0.986 205 Q CA 2.595 58.447 55.803 0.081 0.000 0.843 205 Q CB -0.809 27.964 28.738 0.058 0.000 0.904 205 Q HN 0.651 nan 8.270 nan 0.000 0.420 206 T N -1.876 112.734 114.554 0.093 0.000 2.788 206 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 206 T C 1.834 176.631 174.700 0.163 0.000 1.044 206 T CA 1.465 63.635 62.100 0.116 0.000 1.139 206 T CB -0.304 68.614 68.868 0.082 0.000 0.867 206 T HN 0.313 nan 8.240 nan 0.000 0.454 207 Q N 1.041 120.924 119.800 0.137 0.000 2.002 207 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 207 Q C 2.473 178.613 176.000 0.232 0.000 0.988 207 Q CA 1.829 57.737 55.803 0.176 0.000 0.843 207 Q CB -0.221 28.587 28.738 0.116 0.000 0.908 207 Q HN 0.523 nan 8.270 nan 0.000 0.420 208 K N -0.309 120.200 120.400 0.183 0.000 2.160 208 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 208 K C 1.809 178.547 176.600 0.229 0.000 1.047 208 K CA 1.186 57.587 56.287 0.189 0.000 0.930 208 K CB 0.064 32.669 32.500 0.175 0.000 0.720 208 K HN 0.056 nan 8.250 nan 0.000 0.450 209 V N 0.606 120.678 119.914 0.263 0.000 2.244 209 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 209 V C 1.944 178.176 176.094 0.230 0.000 1.042 209 V CA 1.892 64.378 62.300 0.309 0.000 1.006 209 V CB -0.698 31.321 31.823 0.326 0.000 0.641 209 V HN 0.325 nan 8.190 nan 0.000 0.446 210 F N 0.657 120.678 119.950 0.118 0.000 2.095 210 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 210 F C 1.988 177.810 175.800 0.037 0.000 1.104 210 F CA 1.541 59.584 58.000 0.072 0.000 1.232 210 F CB -0.467 38.552 39.000 0.032 0.000 0.987 210 F HN 0.012 nan 8.300 nan 0.000 0.475 211 L N -0.519 120.640 121.223 -0.106 0.000 1.924 211 L HA -0.283 4.057 4.340 -0.000 0.000 0.222 211 L C 2.486 179.243 176.870 -0.188 0.000 1.081 211 L CA 2.155 56.869 54.840 -0.210 0.000 0.780 211 L CB -1.342 40.728 42.059 0.018 0.000 0.891 211 L HN 0.242 nan 8.230 nan 0.000 0.434 212 F N 0.429 120.240 119.950 -0.231 0.000 2.063 212 F HA -0.405 4.122 4.527 -0.000 0.000 0.296 212 F C 2.371 177.977 175.800 -0.324 0.000 1.093 212 F CA 1.915 59.719 58.000 -0.328 0.000 1.229 212 F CB -0.152 38.489 39.000 -0.597 0.000 0.971 212 F HN -0.009 nan 8.300 nan 0.000 0.491 213 I N 0.104 120.734 120.570 0.100 0.000 2.091 213 I HA -0.378 3.792 4.170 -0.000 0.000 0.239 213 I C 2.668 178.780 176.117 -0.009 0.000 1.061 213 I CA 1.819 63.176 61.300 0.094 0.000 1.317 213 I CB -0.719 37.337 38.000 0.093 0.000 1.031 213 I HN 0.149 nan 8.210 nan 0.000 0.401 214 R N 1.255 121.627 120.500 -0.213 0.000 2.097 214 R HA -0.243 4.096 4.340 -0.000 0.000 0.236 214 R C 2.083 178.305 176.300 -0.130 0.000 1.135 214 R CA 2.469 58.432 56.100 -0.228 0.000 0.934 214 R CB -0.790 29.209 30.300 -0.501 0.000 0.846 214 R HN 0.362 nan 8.270 nan 0.000 0.431 215 N N 0.732 119.328 118.700 -0.174 0.000 2.037 215 N HA -0.241 4.498 4.740 -0.000 0.000 0.196 215 N C 1.901 177.326 175.510 -0.142 0.000 1.034 215 N CA 1.949 54.903 53.050 -0.160 0.000 0.861 215 N CB -0.547 37.798 38.487 -0.236 0.000 1.039 215 N HN 0.252 nan 8.380 nan 0.000 0.427 216 R N 0.526 120.924 120.500 -0.171 0.000 2.070 216 R HA -0.001 4.339 4.340 -0.000 0.000 0.233 216 R C 1.993 178.304 176.300 0.017 0.000 1.137 216 R CA 1.967 58.010 56.100 -0.096 0.000 0.945 216 R CB -1.004 29.299 30.300 0.005 0.000 0.845 216 R HN 0.210 nan 8.270 nan 0.000 0.430 217 T N 1.360 115.952 114.554 0.062 0.000 2.721 217 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 217 T C 1.725 176.494 174.700 0.115 0.000 1.038 217 T CA 1.610 63.777 62.100 0.113 0.000 1.145 217 T CB -0.244 68.697 68.868 0.121 0.000 0.858 217 T HN 0.138 nan 8.240 nan 0.000 0.459 218 L N 0.363 121.628 121.223 0.070 0.000 1.973 218 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 218 L C 2.972 179.911 176.870 0.115 0.000 1.073 218 L CA 1.624 56.529 54.840 0.109 0.000 0.746 218 L CB -0.629 41.464 42.059 0.056 0.000 0.891 218 L HN 0.275 nan 8.230 nan 0.000 0.433 219 Q N 0.037 119.856 119.800 0.032 0.000 2.165 219 Q HA -0.307 4.033 4.340 -0.000 0.000 0.215 219 Q C 2.225 178.231 176.000 0.011 0.000 1.010 219 Q CA 2.292 58.092 55.803 -0.005 0.000 0.896 219 Q CB -0.270 28.440 28.738 -0.047 0.000 0.956 219 Q HN 0.436 nan 8.270 nan 0.000 0.413 220 L N -0.382 120.875 121.223 0.057 0.000 1.955 220 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 220 L C 2.394 179.320 176.870 0.094 0.000 1.072 220 L CA 1.941 56.826 54.840 0.074 0.000 0.755 220 L CB -0.925 41.201 42.059 0.110 0.000 0.888 220 L HN 0.579 nan 8.230 nan 0.000 0.432 221 W N 0.795 122.093 121.300 -0.005 0.000 2.325 221 W HA -0.231 4.429 4.660 -0.000 0.000 0.299 221 W C 1.965 178.454 176.519 -0.051 0.000 1.215 221 W CA 1.380 58.712 57.345 -0.023 0.000 1.244 221 W CB -0.204 29.243 29.460 -0.022 0.000 1.140 221 W HN 0.159 nan 8.180 nan 0.000 0.523 222 L N 1.021 122.122 121.223 -0.203 0.000 1.925 222 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 222 L C 2.231 178.904 176.870 -0.328 0.000 1.082 222 L CA 1.945 56.589 54.840 -0.326 0.000 0.764 222 L CB -1.458 40.535 42.059 -0.110 0.000 0.887 222 L HN -0.203 nan 8.230 nan 0.000 0.432 223 D N 0.218 120.511 120.400 -0.179 0.000 2.408 223 D HA -0.191 4.449 4.640 -0.000 0.000 0.215 223 D C 0.235 176.429 176.300 -0.175 0.000 0.982 223 D CA 1.117 55.029 54.000 -0.146 0.000 0.962 223 D CB -0.527 40.221 40.800 -0.086 0.000 0.872 223 D HN 0.238 nan 8.370 nan 0.000 0.490 224 N N -1.605 116.937 118.700 -0.263 0.000 3.127 224 N HA 0.100 4.840 4.740 -0.000 0.000 0.239 224 N C -2.866 172.365 175.510 -0.465 0.000 1.200 224 N CA -1.012 51.873 53.050 -0.275 0.000 0.924 224 N CB 1.368 39.766 38.487 -0.148 0.000 1.583 224 N HN -0.311 nan 8.380 nan 0.000 0.645 225 P HA 0.355 nan 4.420 nan 0.000 0.276 225 P C 0.204 177.234 177.300 -0.451 0.000 1.585 225 P CA 0.043 62.516 63.100 -1.045 0.000 1.162 225 P CB 0.404 31.361 31.700 -1.238 0.000 1.556 226 K N 0.491 120.773 120.400 -0.196 0.000 2.374 226 K HA 0.223 4.543 4.320 -0.000 0.000 0.196 226 K C 0.502 177.164 176.600 0.104 0.000 1.023 226 K CA 0.253 56.525 56.287 -0.026 0.000 1.103 226 K CB 0.110 32.585 32.500 -0.042 0.000 0.848 226 K HN 0.281 nan 8.250 nan 0.000 0.528 227 I N -1.389 119.253 120.570 0.120 0.000 2.569 227 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 227 I C -0.560 175.667 176.117 0.183 0.000 1.088 227 I CA -1.327 60.048 61.300 0.125 0.000 1.047 227 I CB 1.709 39.740 38.000 0.053 0.000 1.237 227 I HN -0.152 nan 8.210 nan 0.000 0.421 228 Q N 4.063 123.856 119.800 -0.011 0.000 2.368 228 Q HA 0.045 4.385 4.340 -0.000 0.000 0.331 228 Q C -1.116 174.918 176.000 0.056 0.000 1.086 228 Q CA 0.086 55.791 55.803 -0.165 0.000 1.031 228 Q CB 0.827 29.373 28.738 -0.320 0.000 1.125 228 Q HN 0.718 nan 8.270 nan 0.000 0.389 229 L N 5.449 126.752 121.223 0.134 0.000 2.262 229 L HA 0.386 4.726 4.340 -0.000 0.000 0.288 229 L C -0.518 176.504 176.870 0.253 0.000 1.035 229 L CA 0.052 55.013 54.840 0.202 0.000 0.820 229 L CB 1.051 43.289 42.059 0.298 0.000 1.204 229 L HN 0.816 nan 8.230 nan 0.000 0.424 230 T N 1.134 115.777 114.554 0.149 0.000 2.874 230 T HA 0.192 4.542 4.350 -0.000 0.000 0.281 230 T C 0.989 175.642 174.700 -0.078 0.000 0.994 230 T CA -0.340 61.807 62.100 0.078 0.000 1.015 230 T CB 0.537 69.419 68.868 0.023 0.000 1.028 230 T HN 0.457 nan 8.240 nan 0.000 0.523 231 F N 1.603 121.277 119.950 -0.460 0.000 2.126 231 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 231 F C 1.857 177.547 175.800 -0.183 0.000 1.096 231 F CA 1.528 59.190 58.000 -0.563 0.000 1.255 231 F CB -0.997 37.852 39.000 -0.252 0.000 0.997 231 F HN 0.672 nan 8.300 nan 0.000 0.479 232 E N 1.031 121.029 120.200 -0.337 0.000 2.000 232 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 232 E C 2.433 178.892 176.600 -0.235 0.000 1.011 232 E CA 1.801 57.971 56.400 -0.382 0.000 0.836 232 E CB -1.290 28.297 29.700 -0.187 0.000 0.778 232 E HN 0.354 nan 8.360 nan 0.000 0.462 233 A N 0.466 123.224 122.820 -0.104 0.000 2.067 233 A HA -0.320 4.000 4.320 -0.000 0.000 0.224 233 A C 2.283 179.860 177.584 -0.012 0.000 1.172 233 A CA 2.654 54.670 52.037 -0.035 0.000 0.662 233 A CB -1.341 17.667 19.000 0.013 0.000 0.814 233 A HN 0.396 nan 8.150 nan 0.000 0.468 234 T N -0.641 113.907 114.554 -0.010 0.000 2.735 234 T HA -0.030 4.319 4.350 -0.000 0.000 0.256 234 T C 1.811 176.526 174.700 0.026 0.000 1.042 234 T CA 1.082 63.223 62.100 0.068 0.000 1.147 234 T CB -0.480 68.499 68.868 0.186 0.000 0.865 234 T HN 0.259 nan 8.240 nan 0.000 0.421 235 L N 1.644 122.813 121.223 -0.089 0.000 1.989 235 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 235 L C 2.508 179.345 176.870 -0.055 0.000 1.071 235 L CA 1.859 56.642 54.840 -0.096 0.000 0.749 235 L CB -1.478 40.385 42.059 -0.326 0.000 0.890 235 L HN 0.126 nan 8.230 nan 0.000 0.431 236 Q N 0.020 119.764 119.800 -0.092 0.000 2.062 236 Q HA -0.347 3.993 4.340 -0.000 0.000 0.216 236 Q C 2.254 178.252 176.000 -0.003 0.000 1.052 236 Q CA 2.717 58.490 55.803 -0.049 0.000 0.910 236 Q CB -0.721 27.986 28.738 -0.052 0.000 1.043 236 Q HN 0.661 nan 8.270 nan 0.000 0.425 237 Q N -0.852 118.961 119.800 0.022 0.000 2.482 237 Q HA 0.238 4.578 4.340 -0.000 0.000 0.209 237 Q C -0.249 175.800 176.000 0.082 0.000 0.961 237 Q CA -0.079 55.753 55.803 0.050 0.000 0.945 237 Q CB 0.194 28.967 28.738 0.059 0.000 1.012 237 Q HN 0.281 nan 8.270 nan 0.000 0.515 238 L N 0.860 122.134 121.223 0.084 0.000 2.421 238 L HA 0.187 4.527 4.340 -0.000 0.000 0.263 238 L C 0.406 177.329 176.870 0.088 0.000 1.122 238 L CA -0.444 54.468 54.840 0.120 0.000 0.804 238 L CB 0.889 43.029 42.059 0.136 0.000 1.150 238 L HN 0.090 nan 8.230 nan 0.000 0.457 239 E N 0.978 121.240 120.200 0.103 0.000 2.232 239 E HA 0.524 4.874 4.350 -0.000 0.000 0.265 239 E C -0.596 175.989 176.600 -0.025 0.000 1.001 239 E CA -0.866 55.557 56.400 0.038 0.000 0.870 239 E CB 1.442 31.160 29.700 0.031 0.000 1.175 239 E HN 0.570 nan 8.360 nan 0.000 0.407 240 A N 1.777 124.549 122.820 -0.081 0.000 2.386 240 A HA 0.285 4.605 4.320 -0.000 0.000 0.248 240 A C -1.458 175.932 177.584 -0.323 0.000 1.082 240 A CA -0.905 51.029 52.037 -0.172 0.000 0.789 240 A CB -0.269 18.660 19.000 -0.119 0.000 1.025 240 A HN 0.356 nan 8.150 nan 0.000 0.490 241 P HA -0.142 nan 4.420 nan 0.000 0.218 241 P C 0.510 177.565 177.300 -0.408 0.000 1.148 241 P CA 1.469 64.253 63.100 -0.527 0.000 0.822 241 P CB -0.092 31.192 31.700 -0.693 0.000 0.784 242 Y N 0.708 120.920 120.300 -0.146 0.000 2.184 242 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 242 Y C 2.258 178.143 175.900 -0.026 0.000 1.129 242 Y CA 1.158 59.185 58.100 -0.122 0.000 1.144 242 Y CB -1.851 36.446 38.460 -0.273 0.000 0.995 242 Y HN 0.100 nan 8.280 nan 0.000 0.513 243 N N 0.758 119.519 118.700 0.101 0.000 2.573 243 N HA -0.138 4.602 4.740 -0.000 0.000 0.187 243 N C 1.626 177.171 175.510 0.058 0.000 1.107 243 N CA 1.008 54.111 53.050 0.087 0.000 0.918 243 N CB -0.480 38.041 38.487 0.056 0.000 0.966 243 N HN 0.447 nan 8.380 nan 0.000 0.448 244 S N 0.557 116.272 115.700 0.026 0.000 2.378 244 S HA -0.230 4.240 4.470 -0.000 0.000 0.221 244 S C 0.709 175.341 174.600 0.053 0.000 1.037 244 S CA 0.996 59.207 58.200 0.018 0.000 1.069 244 S CB -0.889 62.300 63.200 -0.017 0.000 1.006 244 S HN 0.328 nan 8.310 nan 0.000 0.423 245 D N 1.691 122.137 120.400 0.077 0.000 2.342 245 D HA 0.150 4.789 4.640 -0.000 0.000 0.260 245 D C 1.012 177.401 176.300 0.149 0.000 1.278 245 D CA 0.645 54.706 54.000 0.102 0.000 0.910 245 D CB 1.134 42.000 40.800 0.110 0.000 1.079 245 D HN 0.570 nan 8.370 nan 0.000 0.496 246 T N 0.253 114.897 114.554 0.149 0.000 3.107 246 T HA 0.021 4.371 4.350 -0.000 0.000 0.249 246 T C 1.364 176.218 174.700 0.257 0.000 1.096 246 T CA 0.451 62.692 62.100 0.235 0.000 1.012 246 T CB -0.106 68.889 68.868 0.212 0.000 0.977 246 T HN 0.168 nan 8.240 nan 0.000 0.527 247 V N -1.860 118.155 119.914 0.168 0.000 3.565 247 V HA 0.342 4.462 4.120 -0.000 0.000 0.260 247 V C 1.970 178.151 176.094 0.146 0.000 1.231 247 V CA -0.296 62.083 62.300 0.132 0.000 1.100 247 V CB -0.787 31.077 31.823 0.069 0.000 0.807 247 V HN 0.241 nan 8.190 nan 0.000 0.454 248 L N 0.651 121.984 121.223 0.184 0.000 1.842 248 L HA -0.007 4.332 4.340 -0.000 0.000 0.229 248 L C 2.323 179.363 176.870 0.283 0.000 1.096 248 L CA 2.077 57.071 54.840 0.257 0.000 0.859 248 L CB -0.824 41.405 42.059 0.282 0.000 0.897 248 L HN 0.112 nan 8.230 nan 0.000 0.445 249 V N -0.268 119.835 119.914 0.314 0.000 2.408 249 V HA -0.544 3.576 4.120 -0.000 0.000 0.232 249 V C 2.405 178.667 176.094 0.280 0.000 1.032 249 V CA 2.662 65.185 62.300 0.371 0.000 1.099 249 V CB -1.328 30.774 31.823 0.465 0.000 0.912 249 V HN 0.847 nan 8.190 nan 0.000 0.483 250 H N -0.123 118.908 119.070 -0.065 0.000 2.319 250 H HA -0.169 4.387 4.556 -0.000 0.000 0.297 250 H C 2.341 177.515 175.328 -0.256 0.000 1.097 250 H CA 2.618 58.181 56.048 -0.808 0.000 1.285 250 H CB -0.146 29.011 29.762 -1.008 0.000 1.368 250 H HN 0.434 nan 8.280 nan 0.000 0.495 251 R N -0.539 119.954 120.500 -0.011 0.000 2.096 251 R HA -0.140 4.200 4.340 -0.000 0.000 0.229 251 R C 2.454 178.919 176.300 0.276 0.000 1.134 251 R CA 1.784 57.936 56.100 0.086 0.000 0.917 251 R CB -0.725 29.618 30.300 0.071 0.000 0.832 251 R HN 0.149 nan 8.270 nan 0.000 0.430 252 V N 0.959 121.155 119.914 0.470 0.000 2.225 252 V HA -0.419 3.701 4.120 -0.000 0.000 0.252 252 V C 2.447 178.704 176.094 0.272 0.000 1.055 252 V CA 2.435 64.996 62.300 0.435 0.000 1.032 252 V CB -1.011 31.007 31.823 0.325 0.000 0.655 252 V HN 0.568 nan 8.190 nan 0.000 0.458 253 H N -0.101 119.025 119.070 0.093 0.000 2.400 253 H HA -0.201 4.355 4.556 -0.000 0.000 0.295 253 H C 2.398 177.638 175.328 -0.145 0.000 1.118 253 H CA 2.349 58.399 56.048 0.004 0.000 1.256 253 H CB -0.203 29.599 29.762 0.066 0.000 1.365 253 H HN 0.451 nan 8.280 nan 0.000 0.502 254 S N -0.284 115.361 115.700 -0.092 0.000 2.402 254 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 254 S C 1.759 176.028 174.600 -0.553 0.000 1.021 254 S CA 0.963 58.972 58.200 -0.319 0.000 0.974 254 S CB -0.381 62.567 63.200 -0.420 0.000 0.800 254 S HN 0.639 nan 8.310 nan 0.000 0.484 255 Y N 2.838 122.809 120.300 -0.549 0.000 2.113 255 Y HA -0.140 4.410 4.550 -0.000 0.000 0.269 255 Y C 1.718 177.308 175.900 -0.517 0.000 1.098 255 Y CA 1.382 59.098 58.100 -0.640 0.000 1.083 255 Y CB -0.987 37.471 38.460 -0.003 0.000 0.997 255 Y HN 0.102 nan 8.280 nan 0.000 0.476 256 L N 0.579 121.471 121.223 -0.552 0.000 2.059 256 L HA -0.403 3.937 4.340 -0.000 0.000 0.242 256 L C 2.519 179.098 176.870 -0.484 0.000 1.107 256 L CA 2.184 56.703 54.840 -0.533 0.000 0.836 256 L CB -1.455 40.425 42.059 -0.299 0.000 0.933 256 L HN 0.362 nan 8.230 nan 0.000 0.446 257 E N -0.308 119.586 120.200 -0.510 0.000 2.315 257 E HA -0.342 4.007 4.350 -0.000 0.000 0.215 257 E C 2.250 178.691 176.600 -0.265 0.000 1.069 257 E CA 2.173 58.323 56.400 -0.416 0.000 0.859 257 E CB -0.050 29.352 29.700 -0.497 0.000 0.743 257 E HN 0.258 nan 8.360 nan 0.000 0.469 258 R N 0.344 120.550 120.500 -0.489 0.000 2.052 258 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 258 R C 0.619 176.843 176.300 -0.126 0.000 1.145 258 R CA 1.690 57.468 56.100 -0.535 0.000 0.952 258 R CB -0.793 28.942 30.300 -0.942 0.000 0.847 258 R HN 0.285 nan 8.270 nan 0.000 0.431 259 H N 0.086 119.037 119.070 -0.199 0.000 2.966 259 H HA 0.243 4.799 4.556 -0.000 0.000 0.217 259 H C 0.501 175.714 175.328 -0.191 0.000 1.906 259 H CA -0.093 55.854 56.048 -0.169 0.000 1.351 259 H CB -0.290 29.294 29.762 -0.297 0.000 1.722 259 H HN 0.520 nan 8.280 nan 0.000 0.562 260 G N 1.660 110.462 108.800 0.004 0.000 2.276 260 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.311 260 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.311 260 G C 1.074 175.916 174.900 -0.096 0.000 0.726 260 G CA 0.485 45.555 45.100 -0.050 0.000 0.792 260 G HN 0.617 nan 8.290 nan 0.000 0.482 261 L N -1.050 120.092 121.223 -0.136 0.000 2.313 261 L HA 0.292 4.632 4.340 -0.000 0.000 0.214 261 L C 1.365 178.236 176.870 0.000 0.000 1.119 261 L CA 0.725 55.508 54.840 -0.094 0.000 0.809 261 L CB -0.071 41.877 42.059 -0.184 0.000 0.933 261 L HN 0.585 nan 8.230 nan 0.000 0.449 262 I N -5.265 115.140 120.570 -0.275 0.000 2.802 262 I HA 0.411 4.581 4.170 -0.000 0.000 0.298 262 I C -0.822 174.695 176.117 -1.001 0.000 1.176 262 I CA -0.980 59.737 61.300 -0.972 0.000 1.025 262 I CB 1.902 39.535 38.000 -0.611 0.000 1.243 262 I HN -0.144 nan 8.210 nan 0.000 0.424 263 N N 2.270 119.760 118.700 -2.017 0.000 2.746 263 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 263 N C -1.130 174.256 175.510 -0.207 0.000 1.055 263 N CA 1.411 53.941 53.050 -0.867 0.000 0.699 263 N CB -1.509 36.845 38.487 -0.221 0.000 0.919 263 N HN 0.755 nan 8.380 nan 0.000 0.548 264 F N -2.148 117.522 119.950 -0.466 0.000 2.469 264 F HA 0.872 5.399 4.527 -0.000 0.000 0.332 264 F C 1.142 176.802 175.800 -0.234 0.000 1.103 264 F CA 0.054 57.901 58.000 -0.256 0.000 0.979 264 F CB 1.566 40.468 39.000 -0.164 0.000 1.137 264 F HN 0.244 nan 8.300 nan 0.000 0.463 265 G N 3.244 111.945 108.800 -0.165 0.000 2.826 265 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.233 265 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.233 265 G C -1.043 173.640 174.900 -0.361 0.000 1.296 265 G CA -0.355 44.653 45.100 -0.155 0.000 1.001 265 G HN 0.902 nan 8.290 nan 0.000 0.576 266 I N 2.553 122.962 120.570 -0.268 0.000 2.390 266 I HA 0.550 4.720 4.170 -0.000 0.000 0.283 266 I C 0.022 176.076 176.117 -0.106 0.000 1.016 266 I CA -0.618 60.557 61.300 -0.208 0.000 1.151 266 I CB 0.616 38.571 38.000 -0.074 0.000 1.293 266 I HN 0.685 nan 8.210 nan 0.000 0.458 267 Y N 3.693 124.037 120.300 0.073 0.000 2.705 267 Y HA 0.651 5.201 4.550 -0.000 0.000 0.332 267 Y C -0.832 175.103 175.900 0.058 0.000 1.157 267 Y CA -1.626 56.528 58.100 0.089 0.000 1.091 267 Y CB 1.440 40.014 38.460 0.190 0.000 1.301 267 Y HN 0.190 nan 8.280 nan 0.000 0.488 268 K N 1.692 122.273 120.400 0.303 0.000 2.235 268 K HA 0.385 4.705 4.320 -0.000 0.000 0.266 268 K C -1.009 175.601 176.600 0.017 0.000 0.980 268 K CA -0.820 55.554 56.287 0.145 0.000 0.849 268 K CB 2.496 35.045 32.500 0.083 0.000 1.098 268 K HN 0.602 nan 8.250 nan 0.000 0.445 269 R N 2.813 123.310 120.500 -0.004 0.000 2.389 269 R HA 0.120 4.459 4.340 -0.000 0.000 0.295 269 R C 1.217 177.493 176.300 -0.040 0.000 1.075 269 R CA 0.025 56.073 56.100 -0.087 0.000 1.005 269 R CB 0.369 30.654 30.300 -0.025 0.000 0.987 269 R HN 0.661 nan 8.270 nan 0.000 0.452 270 I N 3.343 123.882 120.570 -0.051 0.000 2.163 270 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 270 I C 0.416 176.528 176.117 -0.008 0.000 1.081 270 I CA 1.357 62.645 61.300 -0.019 0.000 1.353 270 I CB -0.111 37.880 38.000 -0.015 0.000 1.054 270 I HN 0.440 nan 8.210 nan 0.000 0.407 271 K N 2.382 122.777 120.400 -0.009 0.000 2.296 271 K HA 0.401 4.721 4.320 -0.000 0.000 0.257 271 K C -2.411 174.196 176.600 0.011 0.000 1.088 271 K CA -1.716 54.574 56.287 0.005 0.000 0.980 271 K CB 0.166 32.673 32.500 0.012 0.000 1.430 271 K HN -0.073 nan 8.250 nan 0.000 0.441 272 P HA -0.161 nan 4.420 nan 0.000 0.274 272 P C -0.156 177.160 177.300 0.028 0.000 1.224 272 P CA 0.120 63.233 63.100 0.022 0.000 0.803 272 P CB 0.504 32.216 31.700 0.021 0.000 0.876 273 L N 2.837 124.081 121.223 0.034 0.000 2.369 273 L HA 0.125 4.465 4.340 -0.000 0.000 0.279 273 L C -1.468 175.424 176.870 0.036 0.000 1.108 273 L CA -1.601 53.263 54.840 0.041 0.000 0.852 273 L CB -0.292 41.794 42.059 0.044 0.000 1.169 273 L HN 0.348 nan 8.230 nan 0.000 0.452 274 P HA -0.206 nan 4.420 nan 0.000 0.091 274 P C 1.212 178.532 177.300 0.033 0.000 0.627 274 P CA 0.749 63.872 63.100 0.037 0.000 1.112 274 P CB -0.179 31.549 31.700 0.046 0.000 1.643 275 T N 0.945 115.515 114.554 0.027 0.000 2.708 275 T HA -0.359 3.991 4.350 -0.000 0.000 0.227 275 T C 0.685 175.399 174.700 0.024 0.000 1.277 275 T CA 2.261 64.374 62.100 0.023 0.000 1.075 275 T CB -0.288 68.591 68.868 0.020 0.000 0.791 275 T HN 0.443 nan 8.240 nan 0.000 0.495 276 K N 0.657 121.072 120.400 0.026 0.000 2.267 276 K HA 0.613 4.933 4.320 -0.000 0.000 0.246 276 K C -1.179 175.440 176.600 0.033 0.000 0.954 276 K CA -0.868 55.434 56.287 0.026 0.000 0.824 276 K CB 1.477 33.991 32.500 0.023 0.000 1.167 276 K HN 0.275 nan 8.250 nan 0.000 0.431 277 K N 0.775 121.195 120.400 0.033 0.000 2.203 277 K HA 0.370 4.690 4.320 -0.000 0.000 0.251 277 K C -1.292 175.334 176.600 0.044 0.000 0.944 277 K CA -0.782 55.528 56.287 0.040 0.000 0.829 277 K CB 2.068 34.588 32.500 0.033 0.000 1.125 277 K HN 0.512 nan 8.250 nan 0.000 0.430 278 T N 0.695 115.282 114.554 0.055 0.000 2.801 278 T HA 0.588 4.938 4.350 -0.000 0.000 0.306 278 T C 0.028 174.771 174.700 0.072 0.000 1.020 278 T CA -0.855 61.283 62.100 0.064 0.000 0.948 278 T CB 0.948 69.859 68.868 0.071 0.000 0.962 278 T HN 0.838 nan 8.240 nan 0.000 0.465 279 G N 2.235 111.076 108.800 0.068 0.000 3.153 279 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 279 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 279 G C -0.611 174.301 174.900 0.019 0.000 0.995 279 G CA -0.879 44.266 45.100 0.074 0.000 0.783 279 G HN 0.924 nan 8.290 nan 0.000 0.551 280 K N 0.826 121.231 120.400 0.007 0.000 2.172 280 K HA 0.738 5.058 4.320 -0.000 0.000 0.276 280 K C -0.115 176.437 176.600 -0.079 0.000 1.013 280 K CA -0.614 55.662 56.287 -0.018 0.000 0.913 280 K CB 1.602 34.110 32.500 0.014 0.000 1.055 280 K HN 0.881 nan 8.250 nan 0.000 0.461 281 V N 5.120 124.984 119.914 -0.084 0.000 2.638 281 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 281 V C -0.738 175.322 176.094 -0.056 0.000 1.052 281 V CA -1.011 61.218 62.300 -0.119 0.000 0.885 281 V CB 1.618 33.332 31.823 -0.181 0.000 0.999 281 V HN 0.689 nan 8.190 nan 0.000 0.424 282 I N 4.999 125.545 120.570 -0.040 0.000 2.315 282 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 282 I C 0.075 176.155 176.117 -0.061 0.000 1.006 282 I CA -0.704 60.576 61.300 -0.033 0.000 1.265 282 I CB 1.292 39.283 38.000 -0.014 0.000 1.387 282 I HN 0.444 nan 8.210 nan 0.000 0.475 283 I N 7.018 127.546 120.570 -0.071 0.000 2.353 283 I HA 0.328 4.498 4.170 -0.000 0.000 0.293 283 I C 0.117 176.191 176.117 -0.071 0.000 0.992 283 I CA -0.578 60.680 61.300 -0.069 0.000 1.268 283 I CB 1.415 39.372 38.000 -0.072 0.000 1.387 283 I HN 0.287 nan 8.210 nan 0.000 0.478 284 I N 6.052 126.594 120.570 -0.047 0.000 2.282 284 I HA 0.411 4.580 4.170 -0.000 0.000 0.290 284 I C 0.487 176.583 176.117 -0.036 0.000 1.090 284 I CA -0.135 61.136 61.300 -0.049 0.000 1.231 284 I CB 0.540 38.531 38.000 -0.015 0.000 1.434 284 I HN 0.832 nan 8.210 nan 0.000 0.487 285 G N 3.933 112.693 108.800 -0.068 0.000 3.067 285 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 285 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 285 G C 0.022 174.891 174.900 -0.052 0.000 1.119 285 G CA -0.269 44.791 45.100 -0.067 0.000 0.790 285 G HN 0.719 nan 8.290 nan 0.000 0.605 286 S N 1.234 116.900 115.700 -0.056 0.000 2.552 286 S HA 0.587 5.057 4.470 -0.000 0.000 0.246 286 S C 1.228 175.809 174.600 -0.032 0.000 1.019 286 S CA 0.605 58.778 58.200 -0.045 0.000 1.045 286 S CB 0.585 63.758 63.200 -0.045 0.000 0.784 286 S HN 1.912 nan 8.310 nan 0.000 0.453 287 G N 0.763 109.546 108.800 -0.029 0.000 2.599 287 G HA2 0.421 4.381 3.960 -0.000 0.000 0.264 287 G HA3 0.421 4.381 3.960 -0.000 0.000 0.264 287 G C 0.883 175.757 174.900 -0.043 0.000 1.200 287 G CA -0.437 44.645 45.100 -0.030 0.000 0.896 287 G HN 0.187 nan 8.290 nan 0.000 0.536 288 V N 1.196 121.076 119.914 -0.057 0.000 2.265 288 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 288 V C 3.232 179.289 176.094 -0.061 0.000 1.024 288 V CA 3.626 65.890 62.300 -0.060 0.000 1.038 288 V CB -1.303 30.472 31.823 -0.080 0.000 0.675 288 V HN 1.242 nan 8.190 nan 0.000 0.485 289 S N 1.063 116.720 115.700 -0.072 0.000 2.412 289 S HA -0.402 4.068 4.470 -0.000 0.000 0.311 289 S C 2.031 176.592 174.600 -0.065 0.000 1.182 289 S CA 3.238 61.394 58.200 -0.073 0.000 1.365 289 S CB -1.906 61.248 63.200 -0.076 0.000 1.295 289 S HN 1.197 nan 8.310 nan 0.000 0.463 290 G N 1.766 110.534 108.800 -0.053 0.000 2.606 290 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.221 290 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.221 290 G C 1.495 176.358 174.900 -0.062 0.000 1.152 290 G CA 1.633 46.703 45.100 -0.051 0.000 0.765 290 G HN 0.625 nan 8.290 nan 0.000 0.595 291 L N 0.132 121.320 121.223 -0.059 0.000 2.115 291 L HA 0.288 4.627 4.340 -0.000 0.000 0.200 291 L C 3.254 180.080 176.870 -0.073 0.000 1.094 291 L CA 0.824 55.629 54.840 -0.060 0.000 0.769 291 L CB -0.889 41.144 42.059 -0.043 0.000 0.931 291 L HN 0.180 nan 8.230 nan 0.000 0.455 292 A N 0.291 123.071 122.820 -0.065 0.000 2.171 292 A HA -0.301 4.019 4.320 -0.000 0.000 0.223 292 A C 2.321 179.838 177.584 -0.111 0.000 1.166 292 A CA 2.241 54.232 52.037 -0.076 0.000 0.668 292 A CB -0.822 18.139 19.000 -0.066 0.000 0.807 292 A HN 0.518 nan 8.150 nan 0.000 0.475 293 A N -0.732 122.021 122.820 -0.111 0.000 1.862 293 A HA 0.391 4.711 4.320 -0.000 0.000 0.211 293 A C 2.505 179.992 177.584 -0.161 0.000 1.220 293 A CA 1.482 53.439 52.037 -0.134 0.000 0.616 293 A CB -1.215 17.719 19.000 -0.110 0.000 0.878 293 A HN 1.220 nan 8.150 nan 0.000 0.453 294 A N 0.031 122.774 122.820 -0.129 0.000 1.997 294 A HA -0.226 4.093 4.320 -0.000 0.000 0.221 294 A C 2.220 179.719 177.584 -0.141 0.000 1.172 294 A CA 1.707 53.669 52.037 -0.124 0.000 0.645 294 A CB -0.559 18.389 19.000 -0.087 0.000 0.813 294 A HN 0.523 nan 8.150 nan 0.000 0.454 295 R N -1.237 119.177 120.500 -0.143 0.000 2.151 295 R HA -0.162 4.178 4.340 -0.000 0.000 0.220 295 R C 2.278 178.419 176.300 -0.266 0.000 1.120 295 R CA 1.542 57.547 56.100 -0.159 0.000 0.882 295 R CB -0.720 29.493 30.300 -0.146 0.000 0.806 295 R HN 0.499 nan 8.270 nan 0.000 0.440 296 Q N 0.781 120.360 119.800 -0.368 0.000 2.146 296 Q HA -0.243 4.097 4.340 -0.000 0.000 0.217 296 Q C 2.181 177.592 176.000 -0.981 0.000 1.023 296 Q CA 1.772 57.100 55.803 -0.791 0.000 0.903 296 Q CB -0.905 27.427 28.738 -0.676 0.000 0.990 296 Q HN 0.422 nan 8.270 nan 0.000 0.413 297 L N 0.215 121.135 121.223 -0.505 0.000 2.046 297 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 297 L C 2.523 179.287 176.870 -0.177 0.000 1.077 297 L CA 1.906 56.567 54.840 -0.298 0.000 0.747 297 L CB -0.650 41.303 42.059 -0.175 0.000 0.896 297 L HN 0.461 nan 8.230 nan 0.000 0.432 298 Q N -0.441 119.266 119.800 -0.155 0.000 2.302 298 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 298 Q C 2.159 178.143 176.000 -0.026 0.000 0.936 298 Q CA 1.348 57.117 55.803 -0.058 0.000 0.886 298 Q CB 0.104 28.820 28.738 -0.037 0.000 0.986 298 Q HN 0.349 nan 8.270 nan 0.000 0.487 299 S N 0.100 115.748 115.700 -0.086 0.000 2.402 299 S HA -0.105 4.365 4.470 -0.000 0.000 0.233 299 S C 0.968 175.675 174.600 0.179 0.000 1.030 299 S CA 0.851 59.057 58.200 0.011 0.000 1.003 299 S CB -0.307 62.871 63.200 -0.037 0.000 0.813 299 S HN 0.433 nan 8.310 nan 0.000 0.477 300 F N 2.181 122.139 119.950 0.014 0.000 2.663 300 F HA 0.439 4.966 4.527 -0.000 0.000 0.299 300 F C 1.621 177.428 175.800 0.012 0.000 1.143 300 F CA -1.282 56.722 58.000 0.007 0.000 1.387 300 F CB -1.020 37.978 39.000 -0.003 0.000 1.019 300 F HN 0.254 nan 8.300 nan 0.000 0.523 301 G N 2.066 110.971 108.800 0.176 0.000 2.195 301 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 301 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 301 G C -0.031 174.925 174.900 0.093 0.000 0.817 301 G CA 0.139 45.301 45.100 0.103 0.000 1.235 301 G HN 0.313 nan 8.290 nan 0.000 0.358 302 M N 0.539 120.178 119.600 0.064 0.000 2.724 302 M HA 0.358 4.838 4.480 -0.000 0.000 0.310 302 M C -0.217 176.090 176.300 0.013 0.000 1.217 302 M CA -1.084 54.239 55.300 0.038 0.000 0.894 302 M CB 1.719 34.331 32.600 0.020 0.000 1.719 302 M HN 0.238 nan 8.290 nan 0.000 0.479 303 D N 2.068 122.473 120.400 0.008 0.000 2.352 303 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 303 D C -1.508 174.785 176.300 -0.012 0.000 1.224 303 D CA -0.015 53.988 54.000 0.005 0.000 0.879 303 D CB 0.607 41.414 40.800 0.012 0.000 1.057 303 D HN 0.261 nan 8.370 nan 0.000 0.491 304 V N 3.774 123.678 119.914 -0.017 0.000 2.495 304 V HA 0.468 4.588 4.120 -0.000 0.000 0.298 304 V C 0.309 176.396 176.094 -0.011 0.000 1.031 304 V CA -0.563 61.718 62.300 -0.032 0.000 0.871 304 V CB 2.081 33.872 31.823 -0.054 0.000 0.988 304 V HN 0.579 nan 8.190 nan 0.000 0.432 305 T N 5.746 120.298 114.554 -0.004 0.000 2.937 305 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 305 T C -0.771 173.916 174.700 -0.021 0.000 0.991 305 T CA -0.389 61.720 62.100 0.016 0.000 0.990 305 T CB 1.045 69.962 68.868 0.082 0.000 0.991 305 T HN 0.309 nan 8.240 nan 0.000 0.440 306 L N 3.698 124.900 121.223 -0.035 0.000 2.326 306 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 306 L C -0.109 176.706 176.870 -0.091 0.000 1.092 306 L CA -0.396 54.405 54.840 -0.065 0.000 0.810 306 L CB 0.344 42.368 42.059 -0.058 0.000 1.153 306 L HN 0.392 nan 8.230 nan 0.000 0.439 307 L N 2.678 123.816 121.223 -0.141 0.000 2.322 307 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 307 L C -0.434 176.333 176.870 -0.173 0.000 1.014 307 L CA -0.491 54.234 54.840 -0.192 0.000 0.815 307 L CB 1.870 43.760 42.059 -0.282 0.000 1.247 307 L HN 0.632 nan 8.230 nan 0.000 0.421 308 E N 1.718 121.802 120.200 -0.193 0.000 2.307 308 E HA 0.463 4.813 4.350 -0.000 0.000 0.280 308 E C -0.484 175.928 176.600 -0.313 0.000 0.900 308 E CA -0.287 55.982 56.400 -0.219 0.000 0.790 308 E CB 1.951 31.565 29.700 -0.144 0.000 1.261 308 E HN 0.564 nan 8.360 nan 0.000 0.405 309 A N 4.872 127.379 122.820 -0.522 0.000 1.935 309 A HA 0.177 4.497 4.320 -0.000 0.000 0.214 309 A C 1.045 178.241 177.584 -0.647 0.000 1.178 309 A CA 0.458 51.993 52.037 -0.836 0.000 0.640 309 A CB -0.114 17.787 19.000 -1.832 0.000 0.825 309 A HN 0.547 nan 8.150 nan 0.000 0.447 310 R N 0.605 120.782 120.500 -0.538 0.000 2.861 310 R HA 0.102 4.442 4.340 -0.000 0.000 0.268 310 R C -0.051 176.186 176.300 -0.105 0.000 1.027 310 R CA 0.555 56.526 56.100 -0.215 0.000 1.163 310 R CB 0.143 30.383 30.300 -0.100 0.000 1.060 310 R HN 0.539 nan 8.270 nan 0.000 0.483 311 D N 0.400 120.790 120.400 -0.015 0.000 2.325 311 D HA -0.002 4.638 4.640 -0.000 0.000 0.234 311 D C 0.170 176.478 176.300 0.012 0.000 1.122 311 D CA 0.024 54.026 54.000 0.002 0.000 0.850 311 D CB 0.032 40.848 40.800 0.028 0.000 0.921 311 D HN 0.404 nan 8.370 nan 0.000 0.513 312 R N -0.622 119.882 120.500 0.007 0.000 2.734 312 R HA 0.515 4.855 4.340 -0.000 0.000 0.271 312 R C -0.638 175.671 176.300 0.014 0.000 1.021 312 R CA -0.935 55.180 56.100 0.025 0.000 0.893 312 R CB 1.131 31.464 30.300 0.055 0.000 1.244 312 R HN -0.060 nan 8.270 nan 0.000 0.464 313 V N -0.597 119.329 119.914 0.020 0.000 3.665 313 V HA 0.720 4.840 4.120 -0.000 0.000 0.279 313 V C 1.162 177.273 176.094 0.029 0.000 1.000 313 V CA 0.769 63.075 62.300 0.011 0.000 0.935 313 V CB 0.367 32.194 31.823 0.007 0.000 1.240 313 V HN 1.232 nan 8.190 nan 0.000 0.418 314 G N -1.323 107.488 108.800 0.018 0.000 2.363 314 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.238 314 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.238 314 G C 1.954 176.867 174.900 0.021 0.000 1.062 314 G CA 1.184 46.297 45.100 0.022 0.000 0.629 314 G HN 2.663 nan 8.290 nan 0.000 0.514 315 G N 0.539 109.369 108.800 0.049 0.000 2.702 315 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.342 315 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.342 315 G C 0.857 175.812 174.900 0.092 0.000 1.258 315 G CA 1.522 46.669 45.100 0.078 0.000 0.990 315 G HN 1.283 nan 8.290 nan 0.000 0.548 316 R N -0.170 120.315 120.500 -0.025 0.000 2.391 316 R HA 0.309 4.649 4.340 -0.000 0.000 0.225 316 R C -0.065 176.183 176.300 -0.087 0.000 1.079 316 R CA 0.054 56.056 56.100 -0.163 0.000 1.147 316 R CB -0.037 30.066 30.300 -0.329 0.000 1.103 316 R HN 0.159 nan 8.270 nan 0.000 0.499 317 V N 1.442 121.347 119.914 -0.015 0.000 2.266 317 V HA 0.384 4.504 4.120 -0.000 0.000 0.271 317 V C -0.183 175.984 176.094 0.122 0.000 1.032 317 V CA -0.625 61.668 62.300 -0.011 0.000 0.806 317 V CB 1.090 32.835 31.823 -0.130 0.000 1.052 317 V HN 0.196 nan 8.190 nan 0.000 0.449 318 A N 3.611 126.567 122.820 0.226 0.000 2.325 318 A HA 0.913 5.233 4.320 -0.000 0.000 0.333 318 A C -0.030 177.689 177.584 0.226 0.000 1.155 318 A CA -0.416 51.765 52.037 0.241 0.000 0.814 318 A CB 1.550 20.726 19.000 0.293 0.000 1.206 318 A HN 0.555 nan 8.150 nan 0.000 0.482 319 T N 1.261 115.938 114.554 0.205 0.000 2.912 319 T HA 0.529 4.879 4.350 -0.000 0.000 0.299 319 T C -1.499 173.332 174.700 0.219 0.000 1.052 319 T CA -0.142 62.086 62.100 0.213 0.000 0.996 319 T CB 0.841 69.825 68.868 0.193 0.000 1.070 319 T HN 0.568 nan 8.240 nan 0.000 0.465 320 F N 3.539 123.520 119.950 0.051 0.000 2.436 320 F HA 0.737 5.264 4.527 -0.000 0.000 0.340 320 F C -0.265 175.555 175.800 0.034 0.000 1.113 320 F CA -0.980 57.032 58.000 0.021 0.000 1.022 320 F CB 0.824 39.809 39.000 -0.025 0.000 1.128 320 F HN 0.390 nan 8.300 nan 0.000 0.466 321 R N 5.586 125.708 120.500 -0.630 0.000 2.500 321 R HA 0.395 4.735 4.340 -0.000 0.000 0.299 321 R C -1.412 174.531 176.300 -0.595 0.000 1.038 321 R CA -0.860 54.933 56.100 -0.511 0.000 0.903 321 R CB 1.905 32.093 30.300 -0.186 0.000 1.177 321 R HN 0.622 nan 8.270 nan 0.000 0.455 322 K N 1.592 121.634 120.400 -0.595 0.000 2.513 322 K HA 0.457 4.777 4.320 -0.000 0.000 0.251 322 K C 0.184 176.702 176.600 -0.136 0.000 0.939 322 K CA 0.047 56.169 56.287 -0.276 0.000 0.793 322 K CB 1.996 34.388 32.500 -0.181 0.000 1.241 322 K HN 0.640 nan 8.250 nan 0.000 0.431 323 G N 3.069 111.796 108.800 -0.122 0.000 2.622 323 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.307 323 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.307 323 G C 0.138 174.930 174.900 -0.181 0.000 1.226 323 G CA 0.462 45.457 45.100 -0.174 0.000 0.997 323 G HN 0.744 nan 8.290 nan 0.000 0.551 324 N N 0.315 118.854 118.700 -0.268 0.000 2.203 324 N HA 0.159 4.899 4.740 -0.000 0.000 0.207 324 N C -0.333 175.140 175.510 -0.061 0.000 1.130 324 N CA 0.097 53.058 53.050 -0.147 0.000 0.861 324 N CB 0.545 38.955 38.487 -0.128 0.000 1.005 324 N HN 0.404 nan 8.380 nan 0.000 0.507 325 Y N 1.008 121.273 120.300 -0.058 0.000 2.402 325 Y HA 0.275 4.825 4.550 -0.000 0.000 0.333 325 Y C 0.515 176.314 175.900 -0.168 0.000 1.076 325 Y CA -0.762 57.292 58.100 -0.077 0.000 1.299 325 Y CB 0.876 39.305 38.460 -0.052 0.000 1.197 325 Y HN -0.290 nan 8.280 nan 0.000 0.517 326 V N 3.005 122.957 119.914 0.062 0.000 2.610 326 V HA 0.751 4.871 4.120 -0.000 0.000 0.288 326 V C -0.805 175.267 176.094 -0.038 0.000 1.055 326 V CA -0.705 61.608 62.300 0.022 0.000 0.902 326 V CB 1.269 33.150 31.823 0.097 0.000 1.030 326 V HN 0.886 nan 8.190 nan 0.000 0.448 327 A N 3.581 126.407 122.820 0.011 0.000 2.572 327 A HA 0.793 5.113 4.320 -0.000 0.000 0.295 327 A C -1.387 176.290 177.584 0.154 0.000 1.072 327 A CA -0.704 51.254 52.037 -0.132 0.000 0.691 327 A CB 1.625 20.258 19.000 -0.613 0.000 1.291 327 A HN 0.587 nan 8.150 nan 0.000 0.404 328 D N 2.342 122.880 120.400 0.229 0.000 2.339 328 D HA 0.296 4.936 4.640 -0.000 0.000 0.241 328 D C 1.246 177.642 176.300 0.161 0.000 1.183 328 D CA -0.106 54.028 54.000 0.223 0.000 0.859 328 D CB 1.384 42.335 40.800 0.251 0.000 1.067 328 D HN 0.480 nan 8.370 nan 0.000 0.484 329 L N 1.871 123.188 121.223 0.156 0.000 1.994 329 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 329 L C 2.102 179.202 176.870 0.383 0.000 1.071 329 L CA 1.419 56.347 54.840 0.147 0.000 0.745 329 L CB -0.543 41.530 42.059 0.022 0.000 0.892 329 L HN 0.386 nan 8.230 nan 0.000 0.431 330 G N -0.600 108.485 108.800 0.475 0.000 2.913 330 G HA2 0.323 4.283 3.960 -0.000 0.000 0.145 330 G HA3 0.323 4.283 3.960 -0.000 0.000 0.145 330 G C 0.287 175.292 174.900 0.175 0.000 1.801 330 G CA 0.274 45.611 45.100 0.396 0.000 1.033 330 G HN 0.414 nan 8.290 nan 0.000 0.495 331 A N -1.767 121.071 122.820 0.031 0.000 2.280 331 A HA 0.673 4.993 4.320 -0.000 0.000 0.268 331 A C 0.743 178.417 177.584 0.150 0.000 1.111 331 A CA 0.626 52.651 52.037 -0.021 0.000 0.814 331 A CB 1.153 20.008 19.000 -0.243 0.000 1.093 331 A HN 0.700 nan 8.150 nan 0.000 0.498 332 M N -1.198 118.515 119.600 0.189 0.000 1.593 332 M HA 0.114 4.594 4.480 -0.000 0.000 0.222 332 M C -0.975 175.360 176.300 0.057 0.000 1.003 332 M CA 0.363 55.735 55.300 0.121 0.000 0.905 332 M CB 0.384 32.937 32.600 -0.077 0.000 1.788 332 M HN 0.445 nan 8.290 nan 0.000 0.664 333 V N 1.843 121.803 119.914 0.077 0.000 2.743 333 V HA 0.477 4.597 4.120 -0.000 0.000 0.301 333 V C -0.217 175.983 176.094 0.177 0.000 1.057 333 V CA -0.678 61.686 62.300 0.106 0.000 1.006 333 V CB 1.623 33.552 31.823 0.177 0.000 1.024 333 V HN 0.054 nan 8.190 nan 0.000 0.473 334 V N 2.214 122.209 119.914 0.135 0.000 2.407 334 V HA 0.287 4.407 4.120 -0.000 0.000 0.291 334 V C 0.639 176.791 176.094 0.096 0.000 1.018 334 V CA -0.108 62.280 62.300 0.146 0.000 0.842 334 V CB 1.799 33.655 31.823 0.054 0.000 0.996 334 V HN 1.050 nan 8.190 nan 0.000 0.426 335 T N 1.890 116.509 114.554 0.109 0.000 3.607 335 T HA 0.551 4.900 4.350 -0.000 0.000 0.225 335 T C 0.572 175.074 174.700 -0.331 0.000 0.904 335 T CA 0.530 62.493 62.100 -0.228 0.000 0.962 335 T CB -0.874 67.995 68.868 0.001 0.000 1.221 335 T HN 1.783 nan 8.240 nan 0.000 0.641 336 G N 0.593 109.282 108.800 -0.185 0.000 2.663 336 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.686 336 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.686 336 G C -0.170 174.768 174.900 0.064 0.000 1.288 336 G CA -0.397 44.698 45.100 -0.008 0.000 0.836 336 G HN 0.485 nan 8.290 nan 0.000 0.584 337 L N 0.540 121.773 121.223 0.016 0.000 2.653 337 L HA 0.383 4.723 4.340 -0.000 0.000 0.230 337 L C 2.208 178.987 176.870 -0.151 0.000 1.055 337 L CA 0.559 55.347 54.840 -0.086 0.000 0.880 337 L CB 0.169 42.195 42.059 -0.054 0.000 1.195 337 L HN 0.934 nan 8.230 nan 0.000 0.492 338 G N 0.343 109.149 108.800 0.010 0.000 2.687 338 G HA2 0.350 4.310 3.960 -0.000 0.000 0.288 338 G HA3 0.350 4.310 3.960 -0.000 0.000 0.288 338 G C 0.936 175.828 174.900 -0.013 0.000 0.713 338 G CA 0.777 45.975 45.100 0.162 0.000 2.023 338 G HN 0.476 nan 8.290 nan 0.000 0.529 339 G N 1.420 110.011 108.800 -0.349 0.000 2.425 339 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.177 339 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.177 339 G C 0.198 174.419 174.900 -1.133 0.000 0.999 339 G CA -0.264 44.419 45.100 -0.695 0.000 0.723 339 G HN 0.742 nan 8.290 nan 0.000 0.491 340 N N 1.791 119.830 118.700 -1.101 0.000 2.439 340 N HA 0.426 5.166 4.740 -0.000 0.000 0.249 340 N C -0.651 174.577 175.510 -0.470 0.000 1.003 340 N CA -2.095 50.233 53.050 -1.204 0.000 0.942 340 N CB 2.207 40.104 38.487 -0.984 0.000 1.115 340 N HN -0.035 nan 8.380 nan 0.000 0.505 341 P HA -0.233 nan 4.420 nan 0.000 0.219 341 P C 1.356 178.692 177.300 0.061 0.000 1.151 341 P CA 1.425 64.485 63.100 -0.066 0.000 0.850 341 P CB 0.266 31.872 31.700 -0.157 0.000 0.784 342 M N -1.346 118.251 119.600 -0.004 0.000 2.254 342 M HA -0.002 4.478 4.480 -0.000 0.000 0.265 342 M C 2.277 178.584 176.300 0.012 0.000 1.066 342 M CA 1.227 56.568 55.300 0.067 0.000 1.123 342 M CB -1.846 30.833 32.600 0.133 0.000 1.388 342 M HN -0.093 nan 8.290 nan 0.000 0.425 343 A N 0.496 123.280 122.820 -0.059 0.000 1.869 343 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 343 A C 2.479 180.029 177.584 -0.058 0.000 1.203 343 A CA 2.415 54.409 52.037 -0.072 0.000 0.638 343 A CB -1.239 17.692 19.000 -0.114 0.000 0.831 343 A HN 0.273 nan 8.150 nan 0.000 0.450 344 V N -0.347 119.549 119.914 -0.030 0.000 2.282 344 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 344 V C 2.510 178.564 176.094 -0.066 0.000 1.057 344 V CA 2.188 64.445 62.300 -0.071 0.000 1.032 344 V CB -0.543 31.274 31.823 -0.010 0.000 0.645 344 V HN 0.413 nan 8.190 nan 0.000 0.447 345 V N 0.551 120.484 119.914 0.031 0.000 3.041 345 V HA -0.127 3.993 4.120 -0.000 0.000 0.260 345 V C 2.493 178.579 176.094 -0.014 0.000 1.105 345 V CA 1.516 63.833 62.300 0.027 0.000 1.125 345 V CB -0.493 31.393 31.823 0.104 0.000 0.730 345 V HN 0.764 nan 8.190 nan 0.000 0.479 346 S N 0.819 116.500 115.700 -0.031 0.000 2.357 346 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 346 S C 1.932 176.493 174.600 -0.065 0.000 1.031 346 S CA 1.086 59.256 58.200 -0.050 0.000 0.982 346 S CB -0.377 62.788 63.200 -0.058 0.000 0.853 346 S HN 0.597 nan 8.310 nan 0.000 0.458 347 K N 1.303 121.651 120.400 -0.086 0.000 2.147 347 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 347 K C 2.598 179.138 176.600 -0.101 0.000 1.049 347 K CA 1.551 57.776 56.287 -0.104 0.000 0.936 347 K CB -0.228 32.185 32.500 -0.145 0.000 0.722 347 K HN 0.560 nan 8.250 nan 0.000 0.446 348 Q N 0.033 119.771 119.800 -0.102 0.000 2.230 348 Q HA 0.001 4.341 4.340 -0.000 0.000 0.202 348 Q C 0.287 176.257 176.000 -0.050 0.000 0.963 348 Q CA 0.623 56.374 55.803 -0.086 0.000 0.866 348 Q CB 0.411 29.098 28.738 -0.086 0.000 0.931 348 Q HN 0.019 nan 8.270 nan 0.000 0.452 349 V N 1.113 121.003 119.914 -0.041 0.000 2.925 349 V HA 0.155 4.275 4.120 -0.000 0.000 0.311 349 V C -1.002 175.075 176.094 -0.028 0.000 1.104 349 V CA -0.958 61.327 62.300 -0.025 0.000 0.954 349 V CB 2.127 33.945 31.823 -0.008 0.000 1.022 349 V HN 0.098 nan 8.190 nan 0.000 0.427 350 N N 4.425 123.112 118.700 -0.022 0.000 2.739 350 N HA 0.368 5.108 4.740 -0.000 0.000 0.266 350 N C -0.602 174.891 175.510 -0.028 0.000 1.168 350 N CA -0.098 52.937 53.050 -0.025 0.000 1.055 350 N CB -0.126 38.350 38.487 -0.019 0.000 1.393 350 N HN 0.545 nan 8.380 nan 0.000 0.514 351 M N 0.091 119.663 119.600 -0.047 0.000 2.404 351 M HA 0.367 4.846 4.480 -0.000 0.000 0.338 351 M C 0.050 176.305 176.300 -0.074 0.000 1.150 351 M CA -0.574 54.683 55.300 -0.071 0.000 1.016 351 M CB 1.825 34.348 32.600 -0.129 0.000 1.672 351 M HN 0.177 nan 8.290 nan 0.000 0.448 352 E N 3.443 123.600 120.200 -0.072 0.000 2.073 352 E HA 0.383 4.733 4.350 -0.000 0.000 0.269 352 E C -1.598 174.955 176.600 -0.078 0.000 0.917 352 E CA -0.347 56.018 56.400 -0.059 0.000 0.757 352 E CB 0.796 30.473 29.700 -0.038 0.000 1.111 352 E HN 0.736 nan 8.360 nan 0.000 0.410 353 L N 3.851 125.031 121.223 -0.071 0.000 2.255 353 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 353 L C 0.059 176.901 176.870 -0.046 0.000 1.046 353 L CA -0.636 54.159 54.840 -0.074 0.000 0.816 353 L CB 1.203 43.221 42.059 -0.067 0.000 1.197 353 L HN 0.512 nan 8.230 nan 0.000 0.427 354 A N 4.762 127.552 122.820 -0.050 0.000 2.324 354 A HA 0.546 4.866 4.320 -0.000 0.000 0.330 354 A C 0.110 177.698 177.584 0.008 0.000 1.165 354 A CA -0.718 51.308 52.037 -0.018 0.000 0.813 354 A CB 0.968 19.954 19.000 -0.023 0.000 1.197 354 A HN 0.710 nan 8.150 nan 0.000 0.484 355 K N 0.257 120.679 120.400 0.036 0.000 2.181 355 K HA 0.398 4.718 4.320 -0.000 0.000 0.239 355 K C -0.826 175.832 176.600 0.097 0.000 1.073 355 K CA 0.275 56.604 56.287 0.071 0.000 0.839 355 K CB 0.316 32.860 32.500 0.074 0.000 1.116 355 K HN 0.598 nan 8.250 nan 0.000 0.518 356 I N 0.646 121.297 120.570 0.134 0.000 2.571 356 I HA 0.144 4.314 4.170 -0.000 0.000 0.289 356 I C -0.933 175.274 176.117 0.150 0.000 1.115 356 I CA -0.569 60.832 61.300 0.168 0.000 1.045 356 I CB 2.032 40.172 38.000 0.234 0.000 1.238 356 I HN 0.322 nan 8.210 nan 0.000 0.424 357 K N 6.011 126.494 120.400 0.139 0.000 2.234 357 K HA 0.279 4.599 4.320 -0.000 0.000 0.277 357 K C 0.513 177.175 176.600 0.103 0.000 1.038 357 K CA -0.742 55.614 56.287 0.113 0.000 0.888 357 K CB 1.459 34.023 32.500 0.106 0.000 1.091 357 K HN 0.480 nan 8.250 nan 0.000 0.467 358 Q N 1.710 121.565 119.800 0.092 0.000 2.029 358 Q HA -0.197 4.143 4.340 -0.000 0.000 0.209 358 Q C 0.147 176.186 176.000 0.065 0.000 0.999 358 Q CA 1.491 57.341 55.803 0.078 0.000 0.857 358 Q CB -0.176 28.605 28.738 0.073 0.000 0.926 358 Q HN 0.458 nan 8.270 nan 0.000 0.415 359 K N 0.936 121.374 120.400 0.063 0.000 2.404 359 K HA -0.093 4.227 4.320 -0.000 0.000 0.271 359 K C -0.731 175.900 176.600 0.051 0.000 1.130 359 K CA 0.105 56.424 56.287 0.053 0.000 1.181 359 K CB -0.133 32.400 32.500 0.055 0.000 0.840 359 K HN 0.237 nan 8.250 nan 0.000 0.483 360 C N 8.060 127.377 119.300 0.029 0.000 2.340 360 C HA 0.599 5.059 4.460 -0.000 0.000 0.323 360 C C -2.347 172.604 174.990 -0.065 0.000 1.260 360 C CA -1.733 57.292 59.018 0.011 0.000 1.464 360 C CB 0.731 28.486 27.740 0.025 0.000 2.156 360 C HN 0.703 nan 8.230 nan 0.000 0.476 361 P HA 0.645 nan 4.420 nan 0.000 0.285 361 P C -1.579 175.420 177.300 -0.502 0.000 1.280 361 P CA -0.529 62.411 63.100 -0.266 0.000 0.862 361 P CB 1.280 32.859 31.700 -0.200 0.000 1.153 362 L N 0.933 121.684 121.223 -0.786 0.000 2.381 362 L HA 0.463 4.803 4.340 -0.000 0.000 0.268 362 L C -0.777 175.523 176.870 -0.951 0.000 0.997 362 L CA -0.736 53.605 54.840 -0.832 0.000 0.818 362 L CB 1.866 43.465 42.059 -0.766 0.000 1.310 362 L HN 0.356 nan 8.230 nan 0.000 0.416 363 Y N 0.847 121.030 120.300 -0.195 0.000 2.681 363 Y HA 0.265 4.815 4.550 -0.000 0.000 0.347 363 Y C 0.257 176.105 175.900 -0.086 0.000 1.029 363 Y CA -0.765 57.256 58.100 -0.132 0.000 1.279 363 Y CB 1.185 39.571 38.460 -0.123 0.000 1.096 363 Y HN 0.546 nan 8.280 nan 0.000 0.580 364 E N 1.013 121.199 120.200 -0.024 0.000 2.598 364 E HA -0.151 4.199 4.350 -0.000 0.000 0.273 364 E C 1.201 177.837 176.600 0.060 0.000 1.029 364 E CA 0.632 57.015 56.400 -0.029 0.000 0.985 364 E CB 0.675 30.350 29.700 -0.043 0.000 0.988 364 E HN 0.839 nan 8.360 nan 0.000 0.460 365 A N 3.632 126.485 122.820 0.056 0.000 1.971 365 A HA -0.372 3.948 4.320 -0.000 0.000 0.222 365 A C 1.730 179.380 177.584 0.109 0.000 1.182 365 A CA 2.470 54.597 52.037 0.150 0.000 0.649 365 A CB -0.975 18.095 19.000 0.116 0.000 0.818 365 A HN 0.841 nan 8.150 nan 0.000 0.458 366 N N -1.000 117.731 118.700 0.053 0.000 2.018 366 N HA 0.148 4.888 4.740 -0.000 0.000 0.196 366 N C 1.169 176.682 175.510 0.006 0.000 1.043 366 N CA 2.865 55.928 53.050 0.021 0.000 0.856 366 N CB -0.765 37.724 38.487 0.004 0.000 1.042 366 N HN 1.005 nan 8.380 nan 0.000 0.423 367 G N -2.416 106.392 108.800 0.013 0.000 2.731 367 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.219 367 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.219 367 G C -0.965 173.916 174.900 -0.032 0.000 0.989 367 G CA -0.324 44.750 45.100 -0.042 0.000 0.871 367 G HN 0.415 nan 8.290 nan 0.000 0.591 368 Q N 0.243 120.079 119.800 0.059 0.000 2.337 368 Q HA 0.686 5.026 4.340 -0.000 0.000 0.266 368 Q C 0.450 176.539 176.000 0.148 0.000 1.023 368 Q CA -0.396 55.461 55.803 0.089 0.000 0.829 368 Q CB 2.425 31.172 28.738 0.016 0.000 1.306 368 Q HN 0.805 nan 8.270 nan 0.000 0.449 369 A N 1.839 124.774 122.820 0.192 0.000 2.622 369 A HA -0.033 4.287 4.320 -0.000 0.000 0.236 369 A C 0.155 177.665 177.584 -0.122 0.000 1.003 369 A CA 0.159 52.163 52.037 -0.055 0.000 0.781 369 A CB -0.027 18.967 19.000 -0.010 0.000 0.902 369 A HN 0.483 nan 8.150 nan 0.000 0.496 370 V N 6.733 126.511 119.914 -0.226 0.000 2.432 370 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 370 V C -1.650 174.357 176.094 -0.145 0.000 1.046 370 V CA -1.133 61.058 62.300 -0.181 0.000 0.945 370 V CB 0.748 32.431 31.823 -0.234 0.000 0.992 370 V HN 0.870 nan 8.190 nan 0.000 0.471 371 P HA 0.024 nan 4.420 nan 0.000 0.264 371 P C 0.867 178.123 177.300 -0.074 0.000 1.179 371 P CA 0.003 63.060 63.100 -0.073 0.000 0.763 371 P CB 0.544 32.210 31.700 -0.056 0.000 0.806 372 K N 1.971 122.336 120.400 -0.058 0.000 2.127 372 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 372 K C 1.599 178.175 176.600 -0.040 0.000 1.047 372 K CA 1.395 57.654 56.287 -0.047 0.000 0.927 372 K CB -0.164 32.319 32.500 -0.029 0.000 0.716 372 K HN 0.474 nan 8.250 nan 0.000 0.450 373 E N 1.223 121.400 120.200 -0.039 0.000 2.048 373 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 373 E C 1.994 178.569 176.600 -0.041 0.000 1.021 373 E CA 1.475 57.854 56.400 -0.035 0.000 0.825 373 E CB -0.080 29.598 29.700 -0.036 0.000 0.756 373 E HN 0.339 nan 8.360 nan 0.000 0.454 374 K N 0.206 120.572 120.400 -0.058 0.000 2.005 374 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 374 K C 1.979 178.538 176.600 -0.068 0.000 1.044 374 K CA 0.711 56.956 56.287 -0.070 0.000 0.942 374 K CB -0.308 32.137 32.500 -0.092 0.000 0.727 374 K HN 0.029 nan 8.250 nan 0.000 0.439 375 D N 1.349 121.697 120.400 -0.087 0.000 2.248 375 D HA -0.238 4.402 4.640 -0.000 0.000 0.189 375 D C 1.744 178.040 176.300 -0.006 0.000 1.011 375 D CA 1.679 55.632 54.000 -0.077 0.000 0.868 375 D CB 0.052 40.794 40.800 -0.096 0.000 0.931 375 D HN 0.235 nan 8.370 nan 0.000 0.449 376 E N -0.716 119.481 120.200 -0.006 0.000 2.001 376 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 376 E C 2.078 178.696 176.600 0.029 0.000 1.002 376 E CA 1.561 57.973 56.400 0.020 0.000 0.819 376 E CB -0.226 29.480 29.700 0.008 0.000 0.769 376 E HN 0.245 nan 8.360 nan 0.000 0.454 377 M N 0.568 120.170 119.600 0.003 0.000 2.113 377 M HA -0.238 4.242 4.480 -0.000 0.000 0.255 377 M C 1.953 178.260 176.300 0.011 0.000 1.073 377 M CA 1.913 57.211 55.300 -0.003 0.000 1.091 377 M CB -0.591 31.990 32.600 -0.032 0.000 1.309 377 M HN 0.048 nan 8.290 nan 0.000 0.407 378 V N 0.151 120.065 119.914 -0.000 0.000 2.307 378 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 378 V C 2.488 178.669 176.094 0.146 0.000 1.045 378 V CA 2.361 64.664 62.300 0.006 0.000 1.024 378 V CB -1.357 30.413 31.823 -0.090 0.000 0.651 378 V HN 0.686 nan 8.190 nan 0.000 0.449 379 E N 0.139 120.475 120.200 0.227 0.000 2.023 379 E HA -0.320 4.029 4.350 -0.000 0.000 0.196 379 E C 2.387 179.138 176.600 0.252 0.000 1.003 379 E CA 1.738 58.341 56.400 0.340 0.000 0.809 379 E CB -0.244 29.612 29.700 0.260 0.000 0.755 379 E HN 0.617 nan 8.360 nan 0.000 0.449 380 Q N 0.026 119.917 119.800 0.152 0.000 2.217 380 Q HA -0.277 4.063 4.340 -0.000 0.000 0.209 380 Q C 1.863 177.936 176.000 0.121 0.000 0.988 380 Q CA 1.866 57.738 55.803 0.115 0.000 0.878 380 Q CB 0.011 28.791 28.738 0.071 0.000 0.909 380 Q HN 0.164 nan 8.270 nan 0.000 0.424 381 E N -0.154 120.126 120.200 0.133 0.000 2.016 381 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 381 E C 1.495 178.207 176.600 0.186 0.000 0.985 381 E CA 1.079 57.557 56.400 0.129 0.000 0.802 381 E CB -0.641 29.106 29.700 0.078 0.000 0.762 381 E HN 0.372 nan 8.360 nan 0.000 0.448 382 F N 1.911 121.904 119.950 0.072 0.000 2.048 382 F HA -0.392 4.134 4.527 -0.000 0.000 0.296 382 F C 1.765 177.617 175.800 0.087 0.000 1.109 382 F CA 2.345 60.383 58.000 0.063 0.000 1.214 382 F CB -0.742 38.301 39.000 0.071 0.000 0.963 382 F HN 0.098 nan 8.300 nan 0.000 0.491 383 N N 0.647 119.353 118.700 0.010 0.000 2.043 383 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 383 N C 1.945 177.408 175.510 -0.079 0.000 1.037 383 N CA 1.990 54.978 53.050 -0.103 0.000 0.851 383 N CB -0.669 37.850 38.487 0.054 0.000 1.027 383 N HN 0.416 nan 8.380 nan 0.000 0.422 384 R N 0.688 121.190 120.500 0.004 0.000 2.139 384 R HA -0.038 4.302 4.340 -0.000 0.000 0.243 384 R C 2.359 178.660 176.300 0.003 0.000 1.145 384 R CA 0.743 56.853 56.100 0.016 0.000 0.976 384 R CB -0.386 29.942 30.300 0.047 0.000 0.866 384 R HN 0.244 nan 8.270 nan 0.000 0.449 385 L N 0.352 121.576 121.223 0.002 0.000 2.005 385 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 385 L C 2.381 179.235 176.870 -0.026 0.000 1.072 385 L CA 1.241 56.096 54.840 0.025 0.000 0.744 385 L CB -0.353 41.780 42.059 0.124 0.000 0.895 385 L HN 0.213 nan 8.230 nan 0.000 0.433 386 L N -0.356 120.790 121.223 -0.129 0.000 1.970 386 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 386 L C 2.568 179.448 176.870 0.016 0.000 1.071 386 L CA 1.552 56.348 54.840 -0.074 0.000 0.751 386 L CB -0.530 41.445 42.059 -0.140 0.000 0.889 386 L HN 0.314 nan 8.230 nan 0.000 0.432 387 E N -0.323 119.880 120.200 0.005 0.000 2.164 387 E HA -0.363 3.987 4.350 -0.000 0.000 0.206 387 E C 2.061 178.700 176.600 0.065 0.000 1.032 387 E CA 1.645 58.071 56.400 0.044 0.000 0.832 387 E CB -0.075 29.642 29.700 0.028 0.000 0.742 387 E HN 0.543 nan 8.360 nan 0.000 0.460 388 A N 0.199 123.036 122.820 0.030 0.000 1.877 388 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 388 A C 2.422 180.046 177.584 0.066 0.000 1.186 388 A CA 2.488 54.536 52.037 0.019 0.000 0.620 388 A CB -1.282 17.699 19.000 -0.031 0.000 0.822 388 A HN 0.531 nan 8.150 nan 0.000 0.443 389 T N -2.672 111.912 114.554 0.049 0.000 2.897 389 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 389 T C 1.947 176.688 174.700 0.069 0.000 1.084 389 T CA 2.082 64.219 62.100 0.062 0.000 1.123 389 T CB -0.511 68.381 68.868 0.040 0.000 0.865 389 T HN 0.367 nan 8.240 nan 0.000 0.496 390 S N -0.071 115.673 115.700 0.074 0.000 2.317 390 S HA -0.076 4.394 4.470 -0.000 0.000 0.212 390 S C 1.659 176.252 174.600 -0.011 0.000 1.030 390 S CA 0.870 59.067 58.200 -0.005 0.000 0.970 390 S CB -0.999 62.235 63.200 0.056 0.000 0.928 390 S HN 0.592 nan 8.310 nan 0.000 0.451 391 Y N 1.674 121.963 120.300 -0.018 0.000 2.136 391 Y HA -0.297 4.253 4.550 -0.000 0.000 0.271 391 Y C 2.045 177.943 175.900 -0.004 0.000 1.252 391 Y CA 2.256 60.360 58.100 0.008 0.000 1.117 391 Y CB -0.940 37.523 38.460 0.004 0.000 0.932 391 Y HN 0.351 nan 8.280 nan 0.000 0.512 392 L N -0.606 120.787 121.223 0.284 0.000 1.990 392 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 392 L C 2.897 179.834 176.870 0.112 0.000 1.072 392 L CA 2.408 57.375 54.840 0.211 0.000 0.755 392 L CB -1.223 40.936 42.059 0.166 0.000 0.889 392 L HN 0.388 nan 8.230 nan 0.000 0.432 393 S N -2.009 113.695 115.700 0.006 0.000 2.368 393 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 393 S C 1.898 176.452 174.600 -0.076 0.000 1.029 393 S CA 1.501 59.649 58.200 -0.086 0.000 0.988 393 S CB -0.320 62.715 63.200 -0.274 0.000 0.838 393 S HN 0.684 nan 8.310 nan 0.000 0.462 394 H N -0.413 118.635 119.070 -0.035 0.000 2.329 394 H HA 0.148 4.704 4.556 -0.000 0.000 0.306 394 H C 2.545 177.785 175.328 -0.146 0.000 1.062 394 H CA 1.048 57.047 56.048 -0.082 0.000 1.364 394 H CB 0.055 29.772 29.762 -0.075 0.000 1.409 394 H HN 0.285 nan 8.280 nan 0.000 0.519 395 Q N 0.664 120.346 119.800 -0.195 0.000 2.096 395 Q HA 0.027 4.367 4.340 -0.000 0.000 0.197 395 Q C 1.858 177.751 176.000 -0.178 0.000 0.964 395 Q CA 0.914 56.520 55.803 -0.328 0.000 0.838 395 Q CB 0.263 28.475 28.738 -0.877 0.000 0.906 395 Q HN 0.484 nan 8.270 nan 0.000 0.444 396 L N 0.600 121.757 121.223 -0.110 0.000 2.728 396 L HA 0.195 4.535 4.340 -0.000 0.000 0.238 396 L C 0.003 176.917 176.870 0.072 0.000 1.143 396 L CA -0.317 54.531 54.840 0.014 0.000 0.937 396 L CB 0.145 42.250 42.059 0.077 0.000 1.225 396 L HN 0.051 nan 8.230 nan 0.000 0.507 397 D N 1.520 121.953 120.400 0.056 0.000 2.735 397 D HA -0.287 4.353 4.640 -0.000 0.000 0.235 397 D C -0.243 176.130 176.300 0.121 0.000 1.175 397 D CA 0.456 54.498 54.000 0.070 0.000 0.683 397 D CB -0.834 39.993 40.800 0.045 0.000 1.008 397 D HN 0.222 nan 8.370 nan 0.000 0.416 398 F N 1.631 121.567 119.950 -0.023 0.000 2.606 398 F HA 0.332 4.859 4.527 -0.000 0.000 0.347 398 F C 1.040 176.822 175.800 -0.031 0.000 1.207 398 F CA -0.401 57.587 58.000 -0.020 0.000 1.306 398 F CB -0.282 38.711 39.000 -0.012 0.000 1.657 398 F HN 0.053 nan 8.300 nan 0.000 0.606 399 N N 1.143 119.686 118.700 -0.260 0.000 2.210 399 N HA 0.126 4.866 4.740 -0.000 0.000 0.203 399 N C -0.594 174.751 175.510 -0.275 0.000 1.175 399 N CA 0.300 53.190 53.050 -0.267 0.000 0.894 399 N CB 1.537 39.943 38.487 -0.136 0.000 1.041 399 N HN 0.140 nan 8.380 nan 0.000 0.506 400 V N 1.739 121.496 119.914 -0.262 0.000 2.769 400 V HA 0.481 4.601 4.120 -0.000 0.000 0.312 400 V C -0.800 175.142 176.094 -0.254 0.000 1.061 400 V CA -0.782 61.391 62.300 -0.212 0.000 0.931 400 V CB 2.736 34.491 31.823 -0.113 0.000 1.010 400 V HN -0.075 nan 8.190 nan 0.000 0.433 401 L N 4.444 125.548 121.223 -0.198 0.000 2.427 401 L HA 0.505 4.845 4.340 -0.000 0.000 0.264 401 L C -0.027 176.806 176.870 -0.062 0.000 0.989 401 L CA -0.392 54.372 54.840 -0.127 0.000 0.865 401 L CB 0.645 42.623 42.059 -0.136 0.000 1.209 401 L HN 0.902 nan 8.230 nan 0.000 0.430 402 N N 3.084 121.763 118.700 -0.034 0.000 2.650 402 N HA -0.310 4.430 4.740 -0.000 0.000 0.272 402 N C 0.453 175.944 175.510 -0.031 0.000 1.058 402 N CA 0.872 53.909 53.050 -0.022 0.000 0.765 402 N CB -1.254 37.227 38.487 -0.009 0.000 0.902 402 N HN 0.745 nan 8.380 nan 0.000 0.551 403 N N -2.393 116.284 118.700 -0.038 0.000 2.366 403 N HA -0.209 4.531 4.740 -0.000 0.000 0.211 403 N C -0.804 174.678 175.510 -0.045 0.000 1.174 403 N CA 2.108 55.136 53.050 -0.036 0.000 2.731 403 N CB -0.802 37.670 38.487 -0.025 0.000 0.831 403 N HN 0.757 nan 8.380 nan 0.000 0.452 404 K N 2.289 122.659 120.400 -0.050 0.000 2.355 404 K HA 0.319 4.639 4.320 -0.000 0.000 0.270 404 K C -2.557 173.991 176.600 -0.086 0.000 1.003 404 K CA -1.026 55.226 56.287 -0.058 0.000 0.957 404 K CB 0.134 32.603 32.500 -0.051 0.000 0.939 404 K HN 0.239 nan 8.250 nan 0.000 0.482 405 P HA 0.110 nan 4.420 nan 0.000 0.292 405 P C -0.173 177.042 177.300 -0.141 0.000 1.287 405 P CA -0.644 62.386 63.100 -0.117 0.000 0.800 405 P CB 0.817 32.466 31.700 -0.085 0.000 0.945 406 V N 2.930 122.712 119.914 -0.219 0.000 2.644 406 V HA 0.009 4.129 4.120 -0.000 0.000 0.305 406 V C 1.498 177.505 176.094 -0.145 0.000 1.053 406 V CA 0.633 62.787 62.300 -0.243 0.000 1.186 406 V CB -0.250 31.331 31.823 -0.403 0.000 0.895 406 V HN 0.799 nan 8.190 nan 0.000 0.490 407 S N 4.685 120.320 115.700 -0.107 0.000 2.681 407 S HA 0.400 4.870 4.470 -0.000 0.000 0.270 407 S C 0.676 175.215 174.600 -0.101 0.000 1.209 407 S CA -0.394 57.755 58.200 -0.085 0.000 0.988 407 S CB 1.280 64.435 63.200 -0.076 0.000 1.006 407 S HN 0.557 nan 8.310 nan 0.000 0.558 408 L N 2.103 123.239 121.223 -0.146 0.000 2.068 408 L HA 0.260 4.600 4.340 -0.000 0.000 0.204 408 L C 2.342 179.081 176.870 -0.219 0.000 1.076 408 L CA 2.393 57.100 54.840 -0.222 0.000 0.753 408 L CB -1.742 40.047 42.059 -0.450 0.000 0.910 408 L HN 1.007 nan 8.230 nan 0.000 0.439 409 G N -0.723 107.937 108.800 -0.234 0.000 2.875 409 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.220 409 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.220 409 G C 1.284 176.094 174.900 -0.151 0.000 1.293 409 G CA 1.299 46.264 45.100 -0.225 0.000 0.789 409 G HN 0.573 nan 8.290 nan 0.000 0.677 410 Q N -0.150 119.595 119.800 -0.091 0.000 2.160 410 Q HA -0.382 3.958 4.340 -0.000 0.000 0.219 410 Q C 2.878 178.900 176.000 0.036 0.000 1.051 410 Q CA 2.297 58.088 55.803 -0.019 0.000 0.929 410 Q CB -0.609 28.125 28.738 -0.006 0.000 1.059 410 Q HN 0.567 nan 8.270 nan 0.000 0.428 411 A N -0.147 122.699 122.820 0.043 0.000 2.119 411 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 411 A C 1.958 179.548 177.584 0.009 0.000 1.153 411 A CA 0.690 52.796 52.037 0.116 0.000 0.692 411 A CB -0.279 18.796 19.000 0.125 0.000 0.799 411 A HN 0.287 nan 8.150 nan 0.000 0.458 412 L N -1.117 120.063 121.223 -0.070 0.000 2.049 412 L HA -0.128 4.212 4.340 -0.000 0.000 0.203 412 L C 2.516 179.349 176.870 -0.063 0.000 1.074 412 L CA 1.325 56.105 54.840 -0.099 0.000 0.749 412 L CB -0.539 41.363 42.059 -0.262 0.000 0.907 412 L HN 0.418 nan 8.230 nan 0.000 0.439 413 E N -0.260 119.891 120.200 -0.082 0.000 2.055 413 E HA -0.303 4.047 4.350 -0.000 0.000 0.209 413 E C 2.105 178.681 176.600 -0.040 0.000 1.036 413 E CA 2.214 58.587 56.400 -0.046 0.000 0.849 413 E CB -0.321 29.352 29.700 -0.044 0.000 0.767 413 E HN 0.194 nan 8.360 nan 0.000 0.461 414 V N 0.583 120.478 119.914 -0.032 0.000 2.439 414 V HA -0.263 3.857 4.120 -0.000 0.000 0.253 414 V C 2.156 178.186 176.094 -0.106 0.000 1.074 414 V CA 1.565 63.821 62.300 -0.073 0.000 1.076 414 V CB -0.369 31.390 31.823 -0.105 0.000 0.664 414 V HN 0.166 nan 8.190 nan 0.000 0.461 415 V N -0.977 118.889 119.914 -0.080 0.000 2.599 415 V HA -0.079 4.041 4.120 -0.000 0.000 0.245 415 V C 2.051 178.069 176.094 -0.126 0.000 1.046 415 V CA 1.324 63.566 62.300 -0.098 0.000 1.065 415 V CB -0.202 31.586 31.823 -0.059 0.000 0.703 415 V HN 0.401 nan 8.190 nan 0.000 0.464 416 I N -0.068 120.456 120.570 -0.076 0.000 2.099 416 I HA -0.335 3.835 4.170 -0.000 0.000 0.239 416 I C 2.688 178.694 176.117 -0.185 0.000 1.066 416 I CA 1.778 63.014 61.300 -0.106 0.000 1.324 416 I CB -0.354 37.677 38.000 0.051 0.000 1.037 416 I HN 0.320 nan 8.210 nan 0.000 0.401 417 Q N 0.317 120.056 119.800 -0.101 0.000 1.978 417 Q HA -0.289 4.051 4.340 -0.000 0.000 0.211 417 Q C 2.218 178.138 176.000 -0.134 0.000 1.013 417 Q CA 2.065 57.812 55.803 -0.092 0.000 0.869 417 Q CB -0.468 28.232 28.738 -0.064 0.000 0.953 417 Q HN 0.367 nan 8.270 nan 0.000 0.415 418 L N 0.651 121.791 121.223 -0.140 0.000 2.556 418 L HA -0.250 4.090 4.340 -0.000 0.000 0.230 418 L C 2.262 179.034 176.870 -0.163 0.000 1.163 418 L CA 0.991 55.750 54.840 -0.134 0.000 0.819 418 L CB -0.161 41.811 42.059 -0.144 0.000 0.939 418 L HN 0.260 nan 8.230 nan 0.000 0.452 419 Q N -0.778 118.846 119.800 -0.293 0.000 2.178 419 Q HA -0.068 4.272 4.340 -0.000 0.000 0.195 419 Q C 2.034 177.801 176.000 -0.389 0.000 0.960 419 Q CA 0.862 56.374 55.803 -0.485 0.000 0.843 419 Q CB -0.143 27.959 28.738 -1.060 0.000 0.927 419 Q HN 0.497 nan 8.270 nan 0.000 0.487 420 E N 1.092 121.066 120.200 -0.377 0.000 2.055 420 E HA -0.250 4.099 4.350 -0.000 0.000 0.209 420 E C 1.918 178.495 176.600 -0.038 0.000 1.036 420 E CA 1.405 57.753 56.400 -0.086 0.000 0.849 420 E CB -0.089 29.592 29.700 -0.032 0.000 0.767 420 E HN 0.071 nan 8.360 nan 0.000 0.461 421 K N 0.648 121.020 120.400 -0.047 0.000 1.988 421 K HA -0.319 4.001 4.320 -0.000 0.000 0.231 421 K C 2.155 178.758 176.600 0.006 0.000 1.044 421 K CA 2.433 58.708 56.287 -0.020 0.000 1.013 421 K CB -0.909 31.574 32.500 -0.028 0.000 0.736 421 K HN 0.331 nan 8.250 nan 0.000 0.446 422 H N 0.172 119.198 119.070 -0.073 0.000 2.496 422 H HA -0.090 4.466 4.556 -0.000 0.000 0.296 422 H C 1.892 177.208 175.328 -0.019 0.000 1.107 422 H CA 1.659 57.678 56.048 -0.049 0.000 1.263 422 H CB -0.049 29.675 29.762 -0.063 0.000 1.369 422 H HN 0.113 nan 8.280 nan 0.000 0.541 423 V N 0.525 120.374 119.914 -0.109 0.000 2.307 423 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 423 V C 2.124 178.141 176.094 -0.128 0.000 1.045 423 V CA 2.175 64.400 62.300 -0.124 0.000 1.024 423 V CB -0.317 31.546 31.823 0.067 0.000 0.651 423 V HN 0.514 nan 8.190 nan 0.000 0.449 424 K N -0.292 120.075 120.400 -0.056 0.000 1.965 424 K HA -0.226 4.094 4.320 -0.000 0.000 0.218 424 K C 1.799 178.376 176.600 -0.039 0.000 1.048 424 K CA 1.912 58.189 56.287 -0.016 0.000 0.960 424 K CB -0.811 31.694 32.500 0.008 0.000 0.732 424 K HN 0.422 nan 8.250 nan 0.000 0.444 425 D N 0.853 121.221 120.400 -0.053 0.000 2.286 425 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 425 D C 1.835 178.089 176.300 -0.077 0.000 1.012 425 D CA 1.341 55.312 54.000 -0.047 0.000 0.901 425 D CB -0.188 40.591 40.800 -0.036 0.000 0.903 425 D HN 0.245 nan 8.370 nan 0.000 0.451 426 E N 0.452 120.543 120.200 -0.181 0.000 2.046 426 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 426 E C 2.227 178.770 176.600 -0.094 0.000 0.982 426 E CA 0.640 56.929 56.400 -0.186 0.000 0.800 426 E CB -0.240 29.271 29.700 -0.316 0.000 0.756 426 E HN 0.453 nan 8.360 nan 0.000 0.449 427 Q N 0.451 120.217 119.800 -0.057 0.000 1.975 427 Q HA -0.137 4.203 4.340 -0.000 0.000 0.205 427 Q C 2.445 178.531 176.000 0.143 0.000 0.990 427 Q CA 1.495 57.307 55.803 0.015 0.000 0.845 427 Q CB -0.273 28.559 28.738 0.157 0.000 0.913 427 Q HN 0.234 nan 8.270 nan 0.000 0.420 428 I N 0.843 121.525 120.570 0.185 0.000 2.103 428 I HA -0.398 3.772 4.170 -0.000 0.000 0.241 428 I C 2.412 178.618 176.117 0.148 0.000 1.036 428 I CA 2.075 63.493 61.300 0.197 0.000 1.300 428 I CB -0.454 37.611 38.000 0.108 0.000 1.010 428 I HN 0.405 nan 8.210 nan 0.000 0.406 429 E N -0.195 120.050 120.200 0.074 0.000 2.409 429 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 429 E C 1.974 178.603 176.600 0.048 0.000 1.024 429 E CA 1.251 57.682 56.400 0.051 0.000 0.861 429 E CB -0.436 29.280 29.700 0.026 0.000 0.788 429 E HN 0.643 nan 8.360 nan 0.000 0.521 430 H N -0.520 118.490 119.070 -0.100 0.000 2.294 430 H HA -0.072 4.483 4.556 -0.000 0.000 0.306 430 H C 1.264 176.488 175.328 -0.172 0.000 1.065 430 H CA 1.445 57.360 56.048 -0.222 0.000 1.343 430 H CB -0.371 29.117 29.762 -0.456 0.000 1.396 430 H HN 0.316 nan 8.280 nan 0.000 0.506 431 W N 1.796 122.996 121.300 -0.168 0.000 2.332 431 W HA -0.139 4.521 4.660 -0.000 0.000 0.321 431 W C 2.614 179.053 176.519 -0.133 0.000 1.219 431 W CA 0.550 57.773 57.345 -0.203 0.000 1.277 431 W CB -0.276 29.143 29.460 -0.067 0.000 1.161 431 W HN 0.102 nan 8.180 nan 0.000 0.476 432 K N 1.214 121.723 120.400 0.183 0.000 2.587 432 K HA -0.242 4.078 4.320 -0.000 0.000 0.196 432 K C 1.469 178.088 176.600 0.032 0.000 1.046 432 K CA 1.235 57.573 56.287 0.085 0.000 0.930 432 K CB -0.266 32.278 32.500 0.074 0.000 0.771 432 K HN 0.225 nan 8.250 nan 0.000 0.492 433 K N -0.458 119.937 120.400 -0.008 0.000 2.464 433 K HA 0.161 4.481 4.320 -0.000 0.000 0.206 433 K C 1.765 178.332 176.600 -0.055 0.000 1.186 433 K CA -0.136 56.131 56.287 -0.033 0.000 0.990 433 K CB 0.473 32.948 32.500 -0.041 0.000 1.003 433 K HN 0.009 nan 8.250 nan 0.000 0.562 434 I N 1.541 122.065 120.570 -0.077 0.000 2.162 434 I HA -0.243 3.927 4.170 -0.000 0.000 0.238 434 I C 2.304 178.428 176.117 0.012 0.000 1.076 434 I CA 1.266 62.545 61.300 -0.036 0.000 1.353 434 I CB -0.389 37.622 38.000 0.019 0.000 1.063 434 I HN -0.015 nan 8.210 nan 0.000 0.408 435 V N -0.325 119.612 119.914 0.038 0.000 2.217 435 V HA -0.370 3.750 4.120 -0.000 0.000 0.248 435 V C 2.370 178.471 176.094 0.012 0.000 1.050 435 V CA 2.000 64.315 62.300 0.025 0.000 1.007 435 V CB -1.265 30.574 31.823 0.026 0.000 0.639 435 V HN 0.379 nan 8.190 nan 0.000 0.452 436 K N -0.379 120.027 120.400 0.010 0.000 2.385 436 K HA -0.239 4.080 4.320 -0.000 0.000 0.202 436 K C 2.109 178.709 176.600 -0.000 0.000 1.044 436 K CA 2.200 58.489 56.287 0.004 0.000 0.933 436 K CB -0.374 32.128 32.500 0.004 0.000 0.744 436 K HN 0.768 nan 8.250 nan 0.000 0.479 437 T N -0.671 113.882 114.554 -0.002 0.000 3.046 437 T HA -0.044 4.305 4.350 -0.000 0.000 0.242 437 T C 1.504 176.203 174.700 -0.002 0.000 1.018 437 T CA 0.385 62.482 62.100 -0.004 0.000 1.131 437 T CB 0.126 68.988 68.868 -0.009 0.000 0.904 437 T HN 0.182 nan 8.240 nan 0.000 0.459 438 Q N 1.704 121.506 119.800 0.003 0.000 2.062 438 Q HA -0.144 4.196 4.340 -0.000 0.000 0.209 438 Q C 1.970 177.970 176.000 0.001 0.000 0.996 438 Q CA 1.992 57.797 55.803 0.005 0.000 0.859 438 Q CB -0.163 28.581 28.738 0.010 0.000 0.920 438 Q HN 0.517 nan 8.270 nan 0.000 0.415 439 E N -0.576 119.625 120.200 0.001 0.000 2.338 439 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 439 E C 1.406 178.005 176.600 -0.001 0.000 1.007 439 E CA 0.661 57.061 56.400 0.000 0.000 0.849 439 E CB 0.020 29.721 29.700 0.001 0.000 0.774 439 E HN 0.438 nan 8.360 nan 0.000 0.506 440 E N -0.025 120.173 120.200 -0.002 0.000 2.427 440 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 440 E C 1.731 178.328 176.600 -0.006 0.000 1.028 440 E CA 0.113 56.511 56.400 -0.004 0.000 0.864 440 E CB 0.242 29.939 29.700 -0.005 0.000 0.813 440 E HN 0.194 nan 8.360 nan 0.000 0.514 441 L N 1.081 122.301 121.223 -0.006 0.000 2.145 441 L HA 0.019 4.358 4.340 -0.000 0.000 0.201 441 L C 2.203 179.070 176.870 -0.005 0.000 1.075 441 L CA 1.481 56.316 54.840 -0.008 0.000 0.773 441 L CB -0.464 41.591 42.059 -0.006 0.000 0.936 441 L HN -0.091 nan 8.230 nan 0.000 0.451 442 K N -0.066 120.333 120.400 -0.002 0.000 1.998 442 K HA -0.319 4.001 4.320 -0.000 0.000 0.228 442 K C 1.912 178.512 176.600 0.001 0.000 1.053 442 K CA 2.519 58.806 56.287 0.001 0.000 0.988 442 K CB -0.382 32.118 32.500 0.001 0.000 0.735 442 K HN 0.374 nan 8.250 nan 0.000 0.448 443 E N 0.081 120.281 120.200 0.000 0.000 2.236 443 E HA -0.262 4.088 4.350 -0.000 0.000 0.205 443 E C 1.963 178.562 176.600 -0.001 0.000 1.028 443 E CA 1.580 57.981 56.400 0.000 0.000 0.827 443 E CB -0.145 29.554 29.700 -0.001 0.000 0.735 443 E HN 0.288 nan 8.360 nan 0.000 0.470 444 L N 0.117 121.336 121.223 -0.006 0.000 2.249 444 L HA -0.014 4.325 4.340 -0.000 0.000 0.207 444 L C 2.060 178.926 176.870 -0.008 0.000 1.090 444 L CA 0.755 55.587 54.840 -0.012 0.000 0.802 444 L CB 0.051 42.095 42.059 -0.025 0.000 0.947 444 L HN 0.034 nan 8.230 nan 0.000 0.453 445 L N -0.552 120.670 121.223 -0.001 0.000 1.988 445 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 445 L C 2.282 179.168 176.870 0.027 0.000 1.071 445 L CA 1.221 56.068 54.840 0.012 0.000 0.744 445 L CB -0.986 41.080 42.059 0.011 0.000 0.893 445 L HN 0.296 nan 8.230 nan 0.000 0.433 446 N N 0.710 119.422 118.700 0.020 0.000 2.027 446 N HA -0.284 4.456 4.740 -0.000 0.000 0.200 446 N C 1.702 177.231 175.510 0.031 0.000 1.042 446 N CA 1.659 54.724 53.050 0.023 0.000 0.871 446 N CB -0.423 38.074 38.487 0.016 0.000 1.063 446 N HN 0.189 nan 8.380 nan 0.000 0.438 447 K N -0.076 120.339 120.400 0.025 0.000 2.189 447 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 447 K C 1.986 178.620 176.600 0.056 0.000 1.046 447 K CA 1.376 57.681 56.287 0.030 0.000 0.928 447 K CB -0.067 32.443 32.500 0.016 0.000 0.720 447 K HN 0.208 nan 8.250 nan 0.000 0.458 448 M N -0.765 118.873 119.600 0.064 0.000 2.248 448 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 448 M C 2.028 178.447 176.300 0.198 0.000 1.079 448 M CA 0.670 56.051 55.300 0.135 0.000 1.150 448 M CB 0.177 32.816 32.600 0.064 0.000 1.366 448 M HN 0.007 nan 8.290 nan 0.000 0.433 449 V N 1.572 121.557 119.914 0.119 0.000 2.219 449 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 449 V C 1.347 177.475 176.094 0.056 0.000 1.053 449 V CA 2.083 64.433 62.300 0.083 0.000 1.009 449 V CB -0.826 31.028 31.823 0.051 0.000 0.636 449 V HN 0.504 nan 8.190 nan 0.000 0.445 450 N N -0.301 118.428 118.700 0.048 0.000 2.696 450 N HA -0.102 4.638 4.740 -0.000 0.000 0.196 450 N C 0.906 176.439 175.510 0.038 0.000 1.220 450 N CA 0.671 53.741 53.050 0.034 0.000 0.940 450 N CB -0.095 38.410 38.487 0.030 0.000 0.999 450 N HN 0.424 nan 8.380 nan 0.000 0.447 451 L N -0.505 120.752 121.223 0.057 0.000 2.653 451 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 451 L C 1.818 178.670 176.870 -0.031 0.000 1.055 451 L CA 0.525 55.396 54.840 0.052 0.000 0.880 451 L CB -0.027 42.117 42.059 0.141 0.000 1.195 451 L HN -0.145 nan 8.230 nan 0.000 0.492 452 K N -0.122 120.231 120.400 -0.078 0.000 2.113 452 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 452 K C 1.612 178.156 176.600 -0.093 0.000 1.047 452 K CA 1.494 57.668 56.287 -0.188 0.000 0.928 452 K CB 0.187 32.595 32.500 -0.154 0.000 0.716 452 K HN 0.197 nan 8.250 nan 0.000 0.446 453 E N 1.134 121.312 120.200 -0.038 0.000 1.987 453 E HA -0.191 4.158 4.350 -0.000 0.000 0.214 453 E C 1.686 178.278 176.600 -0.015 0.000 1.012 453 E CA 1.583 57.974 56.400 -0.017 0.000 0.881 453 E CB -0.191 29.509 29.700 0.000 0.000 0.806 453 E HN 0.184 nan 8.360 nan 0.000 0.516 454 K N 0.210 120.607 120.400 -0.005 0.000 2.228 454 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 454 K C 2.209 178.808 176.600 -0.002 0.000 1.045 454 K CA 1.078 57.367 56.287 0.003 0.000 0.931 454 K CB -0.275 32.230 32.500 0.008 0.000 0.727 454 K HN 0.233 nan 8.250 nan 0.000 0.458 455 I N 1.128 121.680 120.570 -0.030 0.000 2.193 455 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 455 I C 2.634 178.744 176.117 -0.010 0.000 1.084 455 I CA 0.989 62.261 61.300 -0.045 0.000 1.365 455 I CB -0.483 37.443 38.000 -0.124 0.000 1.064 455 I HN 0.230 nan 8.210 nan 0.000 0.410 456 K N 1.381 121.766 120.400 -0.026 0.000 2.015 456 K HA -0.314 4.006 4.320 -0.000 0.000 0.220 456 K C 2.074 178.720 176.600 0.077 0.000 1.055 456 K CA 2.281 58.582 56.287 0.023 0.000 0.951 456 K CB -0.391 32.106 32.500 -0.005 0.000 0.725 456 K HN 0.215 nan 8.250 nan 0.000 0.449 457 E N 0.182 120.407 120.200 0.042 0.000 2.171 457 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 457 E C 1.863 178.497 176.600 0.057 0.000 0.997 457 E CA 0.864 57.289 56.400 0.041 0.000 0.810 457 E CB 0.055 29.769 29.700 0.025 0.000 0.738 457 E HN 0.311 nan 8.360 nan 0.000 0.467 458 L N 0.281 121.545 121.223 0.069 0.000 2.446 458 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 458 L C 2.038 178.995 176.870 0.144 0.000 1.116 458 L CA 1.251 56.140 54.840 0.082 0.000 0.844 458 L CB -0.842 41.251 42.059 0.057 0.000 0.970 458 L HN 0.227 nan 8.230 nan 0.000 0.457 459 H N -0.051 119.046 119.070 0.044 0.000 2.307 459 H HA -0.168 4.388 4.556 -0.000 0.000 0.303 459 H C 2.107 177.510 175.328 0.125 0.000 1.073 459 H CA 2.088 58.185 56.048 0.082 0.000 1.338 459 H CB 0.124 29.909 29.762 0.038 0.000 1.389 459 H HN 0.155 nan 8.280 nan 0.000 0.503 460 Q N 0.873 120.666 119.800 -0.011 0.000 1.928 460 Q HA -0.309 4.031 4.340 -0.000 0.000 0.223 460 Q C 2.420 178.389 176.000 -0.050 0.000 1.042 460 Q CA 2.682 58.444 55.803 -0.068 0.000 0.892 460 Q CB -0.788 27.949 28.738 -0.002 0.000 1.001 460 Q HN 0.730 nan 8.270 nan 0.000 0.419 461 Q N -1.684 118.122 119.800 0.011 0.000 2.156 461 Q HA -0.267 4.073 4.340 -0.000 0.000 0.211 461 Q C 2.008 178.020 176.000 0.020 0.000 0.995 461 Q CA 2.115 57.929 55.803 0.018 0.000 0.877 461 Q CB -0.497 28.268 28.738 0.045 0.000 0.920 461 Q HN 0.635 nan 8.270 nan 0.000 0.416 462 Y N 1.180 121.448 120.300 -0.054 0.000 2.163 462 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 462 Y C 2.286 178.127 175.900 -0.097 0.000 1.136 462 Y CA 1.650 59.721 58.100 -0.048 0.000 1.147 462 Y CB -0.009 38.456 38.460 0.009 0.000 0.987 462 Y HN -0.130 nan 8.280 nan 0.000 0.509 463 K N 1.034 121.307 120.400 -0.213 0.000 2.000 463 K HA -0.243 4.077 4.320 -0.000 0.000 0.218 463 K C 1.889 178.311 176.600 -0.297 0.000 1.053 463 K CA 2.402 58.490 56.287 -0.331 0.000 0.946 463 K CB -0.639 31.666 32.500 -0.325 0.000 0.723 463 K HN 0.569 nan 8.250 nan 0.000 0.446 464 E N -0.542 119.543 120.200 -0.192 0.000 2.072 464 E HA -0.309 4.041 4.350 -0.000 0.000 0.218 464 E C 1.918 178.417 176.600 -0.168 0.000 1.051 464 E CA 1.788 58.103 56.400 -0.142 0.000 0.880 464 E CB -0.454 29.192 29.700 -0.089 0.000 0.783 464 E HN 0.463 nan 8.360 nan 0.000 0.473 465 A N 0.740 123.454 122.820 -0.176 0.000 2.042 465 A HA -0.259 4.061 4.320 -0.000 0.000 0.222 465 A C 2.209 179.652 177.584 -0.234 0.000 1.167 465 A CA 2.230 54.165 52.037 -0.170 0.000 0.649 465 A CB -0.491 18.425 19.000 -0.140 0.000 0.809 465 A HN 0.291 nan 8.150 nan 0.000 0.457 466 S N -0.386 115.093 115.700 -0.368 0.000 2.486 466 S HA -0.009 4.461 4.470 -0.000 0.000 0.220 466 S C 1.512 175.985 174.600 -0.211 0.000 1.011 466 S CA 0.506 58.494 58.200 -0.354 0.000 0.921 466 S CB -0.106 62.755 63.200 -0.564 0.000 0.785 466 S HN 0.680 nan 8.310 nan 0.000 0.517 467 E N 2.129 122.219 120.200 -0.182 0.000 2.058 467 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 467 E C 0.707 177.255 176.600 -0.087 0.000 0.997 467 E CA 0.711 57.041 56.400 -0.116 0.000 0.801 467 E CB -0.928 28.712 29.700 -0.099 0.000 0.746 467 E HN 0.320 nan 8.360 nan 0.000 0.450 468 V N 4.417 124.281 119.914 -0.084 0.000 2.747 468 V HA -0.144 3.976 4.120 -0.000 0.000 0.240 468 V C 0.852 176.913 176.094 -0.055 0.000 1.001 468 V CA 0.645 62.909 62.300 -0.060 0.000 1.214 468 V CB -1.293 30.498 31.823 -0.054 0.000 1.074 468 V HN 0.090 nan 8.190 nan 0.000 0.481 469 K N 4.552 124.924 120.400 -0.046 0.000 2.469 469 K HA 0.147 4.467 4.320 -0.000 0.000 0.274 469 K C -1.793 174.790 176.600 -0.029 0.000 0.983 469 K CA -1.220 55.044 56.287 -0.038 0.000 0.974 469 K CB -0.081 32.400 32.500 -0.031 0.000 0.913 469 K HN 0.280 nan 8.250 nan 0.000 0.493 470 P HA 0.003 nan 4.420 nan 0.000 0.270 470 P C -2.130 175.162 177.300 -0.013 0.000 1.216 470 P CA -0.507 62.583 63.100 -0.016 0.000 0.788 470 P CB -0.423 31.268 31.700 -0.014 0.000 0.883 471 P HA 0.280 nan 4.420 nan 0.000 0.276 471 P C -0.575 176.722 177.300 -0.004 0.000 1.244 471 P CA -0.176 62.921 63.100 -0.005 0.000 0.801 471 P CB 0.859 32.558 31.700 -0.002 0.000 1.006 472 R N 0.064 120.564 120.500 -0.000 0.000 2.892 472 R HA 0.546 4.886 4.340 -0.000 0.000 0.265 472 R C -0.597 175.710 176.300 0.011 0.000 1.025 472 R CA -0.985 55.117 56.100 0.004 0.000 0.982 472 R CB 0.610 30.913 30.300 0.004 0.000 1.185 472 R HN 0.394 nan 8.270 nan 0.000 0.484 473 D N 0.332 120.740 120.400 0.013 0.000 2.329 473 D HA 0.022 4.662 4.640 -0.000 0.000 0.246 473 D C 0.899 177.217 176.300 0.030 0.000 1.111 473 D CA -0.725 53.285 54.000 0.016 0.000 0.941 473 D CB 0.859 41.665 40.800 0.010 0.000 1.169 473 D HN 0.468 nan 8.370 nan 0.000 0.441 474 I N 0.991 121.580 120.570 0.032 0.000 2.315 474 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 474 I C 2.273 178.441 176.117 0.085 0.000 1.125 474 I CA 2.209 63.541 61.300 0.053 0.000 1.392 474 I CB -0.600 37.422 38.000 0.037 0.000 1.065 474 I HN 0.779 nan 8.210 nan 0.000 0.424 475 T N -1.714 112.873 114.554 0.055 0.000 2.995 475 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 475 T C 1.847 176.637 174.700 0.151 0.000 1.091 475 T CA 0.997 63.142 62.100 0.075 0.000 1.128 475 T CB -0.425 68.448 68.868 0.007 0.000 0.891 475 T HN 0.308 nan 8.240 nan 0.000 0.492 476 A N 0.763 123.641 122.820 0.097 0.000 1.975 476 A HA 0.194 4.514 4.320 -0.000 0.000 0.215 476 A C 2.192 179.822 177.584 0.077 0.000 1.170 476 A CA 1.362 53.445 52.037 0.077 0.000 0.656 476 A CB -0.653 18.368 19.000 0.035 0.000 0.821 476 A HN 0.548 nan 8.150 nan 0.000 0.449 477 E N -0.202 120.048 120.200 0.083 0.000 2.012 477 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 477 E C 1.620 178.285 176.600 0.107 0.000 1.007 477 E CA 1.787 58.231 56.400 0.074 0.000 0.816 477 E CB -0.538 29.208 29.700 0.076 0.000 0.762 477 E HN 0.518 nan 8.360 nan 0.000 0.451 478 F N 0.523 120.487 119.950 0.023 0.000 2.111 478 F HA -0.283 4.244 4.527 0.000 0.000 0.300 478 F C 2.061 177.888 175.800 0.044 0.000 1.088 478 F CA 1.820 59.841 58.000 0.034 0.000 1.243 478 F CB -0.413 38.602 39.000 0.026 0.000 0.996 478 F HN 0.198 nan 8.300 nan 0.000 0.483 479 L N -0.586 120.725 121.223 0.147 0.000 2.083 479 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 479 L C 2.163 179.002 176.870 -0.051 0.000 1.083 479 L CA 1.298 56.166 54.840 0.047 0.000 0.752 479 L CB -0.523 41.597 42.059 0.102 0.000 0.899 479 L HN 0.092 nan 8.230 nan 0.000 0.433 480 V N -0.225 119.671 119.914 -0.029 0.000 2.221 480 V HA -0.266 3.854 4.120 -0.000 0.000 0.242 480 V C 2.610 178.749 176.094 0.075 0.000 1.041 480 V CA 1.882 64.186 62.300 0.007 0.000 0.995 480 V CB -0.601 31.200 31.823 -0.037 0.000 0.635 480 V HN 0.407 nan 8.190 nan 0.000 0.448 481 K N 0.361 120.752 120.400 -0.015 0.000 2.015 481 K HA -0.259 4.060 4.320 -0.000 0.000 0.216 481 K C 2.413 178.933 176.600 -0.134 0.000 1.052 481 K CA 2.100 58.370 56.287 -0.028 0.000 0.937 481 K CB -1.074 31.381 32.500 -0.074 0.000 0.719 481 K HN 0.514 nan 8.250 nan 0.000 0.446 482 S N 1.353 116.777 115.700 -0.461 0.000 2.427 482 S HA -0.220 4.250 4.470 -0.000 0.000 0.231 482 S C 1.902 176.422 174.600 -0.134 0.000 1.045 482 S CA 1.859 59.787 58.200 -0.453 0.000 1.154 482 S CB -0.127 62.665 63.200 -0.680 0.000 1.093 482 S HN 0.201 nan 8.310 nan 0.000 0.422 483 K N 0.458 120.839 120.400 -0.031 0.000 2.218 483 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 483 K C 2.086 178.745 176.600 0.097 0.000 1.046 483 K CA 1.489 57.826 56.287 0.083 0.000 0.933 483 K CB -0.935 31.676 32.500 0.185 0.000 0.728 483 K HN 0.750 nan 8.250 nan 0.000 0.454 484 H N 0.908 119.967 119.070 -0.018 0.000 2.253 484 H HA -0.136 4.420 4.556 -0.000 0.000 0.296 484 H C 2.422 177.658 175.328 -0.153 0.000 1.067 484 H CA 1.641 57.573 56.048 -0.193 0.000 1.245 484 H CB 0.204 29.906 29.762 -0.100 0.000 1.364 484 H HN 0.083 nan 8.280 nan 0.000 0.494 485 R N 0.526 120.937 120.500 -0.148 0.000 2.235 485 R HA -0.218 4.122 4.340 -0.000 0.000 0.222 485 R C 1.741 177.961 176.300 -0.133 0.000 1.095 485 R CA 2.585 58.579 56.100 -0.177 0.000 0.863 485 R CB -0.804 29.432 30.300 -0.108 0.000 0.824 485 R HN 0.433 nan 8.270 nan 0.000 0.432 486 D N 0.208 120.561 120.400 -0.078 0.000 2.346 486 D HA -0.224 4.416 4.640 -0.000 0.000 0.202 486 D C 1.542 177.808 176.300 -0.057 0.000 1.007 486 D CA 1.323 55.294 54.000 -0.048 0.000 0.923 486 D CB -0.077 40.712 40.800 -0.019 0.000 0.891 486 D HN 0.192 nan 8.370 nan 0.000 0.460 487 L N -0.150 121.018 121.223 -0.093 0.000 2.121 487 L HA -0.026 4.313 4.340 -0.000 0.000 0.200 487 L C 2.465 179.260 176.870 -0.125 0.000 1.077 487 L CA 1.650 56.432 54.840 -0.098 0.000 0.766 487 L CB -1.087 40.904 42.059 -0.114 0.000 0.931 487 L HN 0.161 nan 8.230 nan 0.000 0.452 488 T N -1.849 112.584 114.554 -0.203 0.000 2.607 488 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 488 T C 1.942 176.575 174.700 -0.112 0.000 1.049 488 T CA 1.439 63.429 62.100 -0.182 0.000 1.162 488 T CB -1.325 67.382 68.868 -0.268 0.000 0.863 488 T HN 0.357 nan 8.240 nan 0.000 0.424 489 A N 1.418 124.173 122.820 -0.108 0.000 2.023 489 A HA -0.084 4.236 4.320 -0.000 0.000 0.223 489 A C 2.459 180.021 177.584 -0.037 0.000 1.180 489 A CA 1.848 53.847 52.037 -0.063 0.000 0.659 489 A CB -0.976 17.990 19.000 -0.057 0.000 0.817 489 A HN 0.594 nan 8.150 nan 0.000 0.466 490 L N -1.750 119.451 121.223 -0.038 0.000 2.477 490 L HA -0.057 4.283 4.340 -0.000 0.000 0.220 490 L C 2.186 179.061 176.870 0.009 0.000 1.106 490 L CA 0.710 55.543 54.840 -0.011 0.000 0.851 490 L CB -0.332 41.718 42.059 -0.014 0.000 0.994 490 L HN 0.555 nan 8.230 nan 0.000 0.462 491 C N -0.514 118.778 119.300 -0.012 0.000 2.492 491 C HA -0.069 4.391 4.460 -0.000 0.000 0.279 491 C C 2.576 177.592 174.990 0.042 0.000 1.335 491 C CA 0.029 59.056 59.018 0.015 0.000 1.734 491 C CB 0.052 27.774 27.740 -0.031 0.000 2.027 491 C HN 0.403 nan 8.230 nan 0.000 0.496 492 K N 1.650 122.052 120.400 0.004 0.000 2.005 492 K HA -0.264 4.056 4.320 -0.000 0.000 0.229 492 K C 1.771 178.383 176.600 0.020 0.000 1.050 492 K CA 2.230 58.518 56.287 0.002 0.000 0.994 492 K CB -0.431 32.060 32.500 -0.014 0.000 0.736 492 K HN 0.522 nan 8.250 nan 0.000 0.448 493 E N -1.291 118.924 120.200 0.025 0.000 2.113 493 E HA -0.300 4.050 4.350 -0.000 0.000 0.210 493 E C 2.092 178.723 176.600 0.051 0.000 1.040 493 E CA 2.145 58.564 56.400 0.032 0.000 0.847 493 E CB -0.401 29.324 29.700 0.042 0.000 0.755 493 E HN 0.498 nan 8.360 nan 0.000 0.459 494 Y N 1.680 121.965 120.300 -0.025 0.000 2.373 494 Y HA -0.158 4.392 4.550 -0.000 0.000 0.293 494 Y C 1.673 177.560 175.900 -0.022 0.000 1.129 494 Y CA 1.345 59.432 58.100 -0.022 0.000 1.226 494 Y CB 0.156 38.601 38.460 -0.025 0.000 1.000 494 Y HN -0.019 nan 8.280 nan 0.000 0.549 495 D N 0.337 120.763 120.400 0.044 0.000 2.084 495 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 495 D C 1.691 177.937 176.300 -0.089 0.000 0.985 495 D CA 1.714 55.696 54.000 -0.031 0.000 0.826 495 D CB -0.343 40.468 40.800 0.017 0.000 0.978 495 D HN 0.538 nan 8.370 nan 0.000 0.456 496 E N -0.143 120.022 120.200 -0.059 0.000 2.463 496 E HA -0.103 4.247 4.350 -0.000 0.000 0.201 496 E C 1.530 178.078 176.600 -0.086 0.000 1.045 496 E CA 0.212 56.576 56.400 -0.060 0.000 0.872 496 E CB 0.169 29.848 29.700 -0.035 0.000 0.797 496 E HN 0.166 nan 8.360 nan 0.000 0.538 497 L N -0.291 120.849 121.223 -0.138 0.000 2.408 497 L HA 0.124 4.464 4.340 -0.000 0.000 0.215 497 L C 2.136 178.860 176.870 -0.244 0.000 1.081 497 L CA 0.669 55.408 54.840 -0.169 0.000 0.840 497 L CB -0.090 41.870 42.059 -0.165 0.000 1.002 497 L HN 0.007 nan 8.230 nan 0.000 0.468 498 A N -0.455 122.160 122.820 -0.341 0.000 1.898 498 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 498 A C 2.061 179.549 177.584 -0.161 0.000 1.181 498 A CA 1.554 53.404 52.037 -0.312 0.000 0.620 498 A CB -0.437 18.368 19.000 -0.324 0.000 0.819 498 A HN 0.375 nan 8.150 nan 0.000 0.442 499 E N -0.002 120.124 120.200 -0.124 0.000 2.020 499 E HA -0.243 4.107 4.350 -0.000 0.000 0.229 499 E C 1.869 178.428 176.600 -0.069 0.000 1.022 499 E CA 2.691 59.044 56.400 -0.078 0.000 0.903 499 E CB -1.124 28.537 29.700 -0.065 0.000 0.812 499 E HN 0.441 nan 8.360 nan 0.000 0.529 500 T N 0.506 115.020 114.554 -0.067 0.000 2.774 500 T HA -0.319 4.031 4.350 -0.000 0.000 0.264 500 T C 1.767 176.434 174.700 -0.056 0.000 1.037 500 T CA 1.891 63.958 62.100 -0.055 0.000 1.152 500 T CB -0.393 68.442 68.868 -0.055 0.000 0.842 500 T HN 0.359 nan 8.240 nan 0.000 0.483 501 Q N 0.059 119.814 119.800 -0.076 0.000 2.119 501 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 501 Q C 2.578 178.550 176.000 -0.047 0.000 0.972 501 Q CA 1.489 57.252 55.803 -0.066 0.000 0.847 501 Q CB -0.442 28.241 28.738 -0.092 0.000 0.903 501 Q HN 0.616 nan 8.270 nan 0.000 0.433 502 G N 1.266 110.038 108.800 -0.048 0.000 2.453 502 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.215 502 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.215 502 G C 1.271 176.156 174.900 -0.025 0.000 1.201 502 G CA 0.889 45.969 45.100 -0.033 0.000 0.784 502 G HN 0.291 nan 8.290 nan 0.000 0.545 503 K N 0.045 120.430 120.400 -0.026 0.000 2.066 503 K HA -0.173 4.147 4.320 -0.000 0.000 0.221 503 K C 2.372 178.961 176.600 -0.017 0.000 1.056 503 K CA 1.679 57.954 56.287 -0.020 0.000 0.950 503 K CB -0.548 31.939 32.500 -0.022 0.000 0.726 503 K HN 0.281 nan 8.250 nan 0.000 0.456 504 L N 0.265 121.476 121.223 -0.020 0.000 2.478 504 L HA -0.055 4.285 4.340 -0.000 0.000 0.223 504 L C 2.196 179.059 176.870 -0.011 0.000 1.140 504 L CA 0.719 55.550 54.840 -0.015 0.000 0.842 504 L CB -0.298 41.751 42.059 -0.018 0.000 0.953 504 L HN 0.291 nan 8.230 nan 0.000 0.452 505 E N 0.478 120.671 120.200 -0.012 0.000 2.170 505 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 505 E C 2.089 178.687 176.600 -0.003 0.000 0.981 505 E CA 0.724 57.120 56.400 -0.007 0.000 0.830 505 E CB 0.348 30.042 29.700 -0.010 0.000 0.775 505 E HN 0.558 nan 8.360 nan 0.000 0.470 506 E N 0.774 120.971 120.200 -0.005 0.000 2.042 506 E HA -0.165 4.185 4.350 -0.000 0.000 0.189 506 E C 1.570 178.169 176.600 -0.001 0.000 0.974 506 E CA 0.571 56.969 56.400 -0.002 0.000 0.806 506 E CB -0.356 29.342 29.700 -0.004 0.000 0.769 506 E HN -0.084 nan 8.360 nan 0.000 0.451 507 K N 0.463 120.861 120.400 -0.004 0.000 2.738 507 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 507 K C 1.046 177.644 176.600 -0.003 0.000 0.981 507 K CA 0.357 56.641 56.287 -0.004 0.000 0.981 507 K CB -0.100 32.396 32.500 -0.007 0.000 0.807 507 K HN 0.330 nan 8.250 nan 0.000 0.482 508 L N -1.660 119.564 121.223 0.001 0.000 3.503 508 L HA 0.009 4.349 4.340 -0.000 0.000 0.327 508 L C 1.557 178.437 176.870 0.017 0.000 1.108 508 L CA -0.051 54.792 54.840 0.006 0.000 1.214 508 L CB 0.359 42.422 42.059 0.007 0.000 1.806 508 L HN 0.037 nan 8.230 nan 0.000 0.610 509 Q N -0.027 119.783 119.800 0.016 0.000 2.062 509 Q HA -0.199 4.141 4.340 -0.000 0.000 0.196 509 Q C 1.413 177.425 176.000 0.020 0.000 0.967 509 Q CA 1.441 57.258 55.803 0.022 0.000 0.832 509 Q CB 0.009 28.757 28.738 0.017 0.000 0.899 509 Q HN 0.302 nan 8.270 nan 0.000 0.442 510 E N 1.447 121.654 120.200 0.012 0.000 2.360 510 E HA -0.277 4.073 4.350 -0.000 0.000 0.251 510 E C 1.562 178.172 176.600 0.018 0.000 1.042 510 E CA 2.165 58.570 56.400 0.009 0.000 1.063 510 E CB -0.748 28.954 29.700 0.004 0.000 0.970 510 E HN 0.339 nan 8.360 nan 0.000 0.513 511 L N -0.421 120.813 121.223 0.019 0.000 2.275 511 L HA -0.065 4.275 4.340 -0.000 0.000 0.215 511 L C 2.471 179.394 176.870 0.088 0.000 1.119 511 L CA 1.554 56.420 54.840 0.043 0.000 0.790 511 L CB -0.571 41.472 42.059 -0.027 0.000 0.919 511 L HN 0.290 nan 8.230 nan 0.000 0.443 512 E N -0.024 120.206 120.200 0.049 0.000 2.481 512 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 512 E C 2.085 178.718 176.600 0.054 0.000 1.047 512 E CA 0.554 56.997 56.400 0.073 0.000 0.867 512 E CB 0.238 29.994 29.700 0.094 0.000 0.858 512 E HN 0.425 nan 8.360 nan 0.000 0.513 513 A N 1.640 124.478 122.820 0.030 0.000 1.943 513 A HA -0.039 4.281 4.320 -0.000 0.000 0.213 513 A C 0.918 178.487 177.584 -0.026 0.000 1.181 513 A CA 0.446 52.487 52.037 0.007 0.000 0.653 513 A CB -0.019 18.984 19.000 0.005 0.000 0.833 513 A HN 0.273 nan 8.150 nan 0.000 0.451 514 N N 1.308 119.981 118.700 -0.046 0.000 3.112 514 N HA 0.258 4.998 4.740 -0.000 0.000 0.270 514 N C -3.131 172.219 175.510 -0.266 0.000 1.385 514 N CA -1.240 51.745 53.050 -0.109 0.000 0.986 514 N CB 0.657 39.094 38.487 -0.083 0.000 1.261 514 N HN 0.172 nan 8.380 nan 0.000 0.495 515 P HA 0.278 nan 4.420 nan 0.000 0.272 515 P C -2.315 174.697 177.300 -0.480 0.000 1.223 515 P CA -0.670 62.072 63.100 -0.596 0.000 0.784 515 P CB -0.013 31.505 31.700 -0.303 0.000 0.923 516 P HA 0.058 nan 4.420 nan 0.000 0.271 516 P C -0.114 177.081 177.300 -0.175 0.000 1.244 516 P CA 0.110 63.033 63.100 -0.295 0.000 0.793 516 P CB 0.088 31.620 31.700 -0.280 0.000 0.984 517 S N 0.633 116.274 115.700 -0.099 0.000 2.560 517 S HA -0.018 4.452 4.470 -0.000 0.000 0.284 517 S C 0.991 175.577 174.600 -0.023 0.000 1.327 517 S CA -0.075 58.096 58.200 -0.047 0.000 1.055 517 S CB 0.280 63.470 63.200 -0.017 0.000 0.868 517 S HN 0.629 nan 8.310 nan 0.000 0.506 518 D N 1.173 121.576 120.400 0.004 0.000 2.249 518 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 518 D C 0.460 176.788 176.300 0.047 0.000 0.962 518 D CA 0.423 54.446 54.000 0.039 0.000 0.860 518 D CB -0.098 40.735 40.800 0.055 0.000 0.955 518 D HN 0.387 nan 8.370 nan 0.000 0.505 519 V N -1.688 118.249 119.914 0.039 0.000 2.864 519 V HA 0.348 4.468 4.120 -0.000 0.000 0.314 519 V C 0.544 176.689 176.094 0.084 0.000 1.073 519 V CA -1.092 61.243 62.300 0.059 0.000 0.956 519 V CB 1.222 33.064 31.823 0.032 0.000 1.023 519 V HN 0.025 nan 8.190 nan 0.000 0.435 520 Y N 3.171 123.482 120.300 0.019 0.000 2.206 520 Y HA 0.405 4.955 4.550 -0.000 0.000 0.292 520 Y C 0.507 176.424 175.900 0.028 0.000 1.123 520 Y CA 1.117 59.235 58.100 0.029 0.000 1.142 520 Y CB 0.370 38.854 38.460 0.041 0.000 1.006 520 Y HN 0.487 nan 8.280 nan 0.000 0.518 521 L N 1.129 122.304 121.223 -0.079 0.000 2.528 521 L HA 0.239 4.579 4.340 -0.000 0.000 0.267 521 L C -0.138 176.711 176.870 -0.035 0.000 0.961 521 L CA -0.779 53.970 54.840 -0.151 0.000 0.866 521 L CB 1.776 43.760 42.059 -0.125 0.000 1.248 521 L HN 0.152 nan 8.230 nan 0.000 0.404 522 S N 1.467 117.134 115.700 -0.055 0.000 2.587 522 S HA 0.076 4.546 4.470 -0.000 0.000 0.260 522 S C 1.062 175.653 174.600 -0.016 0.000 1.353 522 S CA 0.056 58.239 58.200 -0.028 0.000 0.995 522 S CB 1.328 64.504 63.200 -0.039 0.000 0.912 522 S HN 0.596 nan 8.310 nan 0.000 0.568 523 S N 0.281 115.976 115.700 -0.008 0.000 2.522 523 S HA 0.102 4.572 4.470 -0.000 0.000 0.227 523 S C 1.866 176.456 174.600 -0.016 0.000 0.986 523 S CA 0.166 58.364 58.200 -0.003 0.000 0.929 523 S CB -0.325 62.877 63.200 0.003 0.000 0.769 523 S HN 0.663 nan 8.310 nan 0.000 0.529 524 R N 1.221 121.702 120.500 -0.031 0.000 2.052 524 R HA -0.028 4.312 4.340 -0.000 0.000 0.224 524 R C 1.576 177.837 176.300 -0.065 0.000 1.165 524 R CA 1.458 57.530 56.100 -0.047 0.000 0.939 524 R CB -0.303 29.967 30.300 -0.050 0.000 0.834 524 R HN 0.283 nan 8.270 nan 0.000 0.435 525 D N 0.591 120.947 120.400 -0.074 0.000 2.469 525 D HA -0.283 4.357 4.640 -0.000 0.000 0.216 525 D C 1.557 177.810 176.300 -0.079 0.000 1.104 525 D CA 1.425 55.369 54.000 -0.093 0.000 0.950 525 D CB -0.707 40.031 40.800 -0.102 0.000 1.283 525 D HN 0.035 nan 8.370 nan 0.000 0.502 526 R N 1.089 121.563 120.500 -0.044 0.000 2.502 526 R HA -0.208 4.132 4.340 -0.000 0.000 0.250 526 R C 1.649 177.956 176.300 0.012 0.000 1.220 526 R CA 1.458 57.563 56.100 0.009 0.000 1.104 526 R CB -0.446 29.884 30.300 0.050 0.000 0.828 526 R HN 0.410 nan 8.270 nan 0.000 0.506 527 Q N -1.642 118.140 119.800 -0.030 0.000 2.422 527 Q HA 0.232 4.572 4.340 -0.000 0.000 0.255 527 Q C 1.611 177.573 176.000 -0.063 0.000 0.864 527 Q CA 0.142 55.930 55.803 -0.026 0.000 0.968 527 Q CB 0.215 28.936 28.738 -0.029 0.000 1.130 527 Q HN 0.408 nan 8.270 nan 0.000 0.556 528 I N 0.829 121.324 120.570 -0.125 0.000 2.110 528 I HA -0.287 3.883 4.170 -0.000 0.000 0.236 528 I C 2.185 178.133 176.117 -0.282 0.000 1.068 528 I CA 0.904 62.075 61.300 -0.215 0.000 1.333 528 I CB -0.218 37.617 38.000 -0.275 0.000 1.054 528 I HN 0.237 nan 8.210 nan 0.000 0.402 529 L N 0.884 121.933 121.223 -0.290 0.000 2.230 529 L HA -0.321 4.019 4.340 -0.000 0.000 0.217 529 L C 1.473 178.076 176.870 -0.445 0.000 1.090 529 L CA 1.987 56.608 54.840 -0.365 0.000 0.771 529 L CB -0.559 41.382 42.059 -0.196 0.000 0.892 529 L HN 0.242 nan 8.230 nan 0.000 0.438 530 D N -2.360 117.954 120.400 -0.143 0.000 2.363 530 D HA -0.131 4.509 4.640 -0.000 0.000 0.220 530 D C 1.358 177.660 176.300 0.002 0.000 0.994 530 D CA 0.594 54.611 54.000 0.029 0.000 0.890 530 D CB -0.017 40.834 40.800 0.084 0.000 0.906 530 D HN 0.625 nan 8.370 nan 0.000 0.530 531 W N -0.048 121.090 121.300 -0.270 0.000 2.580 531 W HA -0.048 4.612 4.660 0.000 0.000 0.287 531 W C 1.935 178.354 176.519 -0.166 0.000 1.175 531 W CA 0.747 57.979 57.345 -0.189 0.000 1.409 531 W CB -0.156 29.195 29.460 -0.181 0.000 1.101 531 W HN -0.061 nan 8.180 nan 0.000 0.558 532 H N 0.273 119.234 119.070 -0.181 0.000 2.321 532 H HA -0.227 4.329 4.556 -0.000 0.000 0.295 532 H C 1.936 176.845 175.328 -0.699 0.000 1.102 532 H CA 2.091 57.679 56.048 -0.766 0.000 1.266 532 H CB -1.397 27.587 29.762 -1.296 0.000 1.363 532 H HN 0.162 nan 8.280 nan 0.000 0.492 533 F N 0.405 120.260 119.950 -0.160 0.000 2.161 533 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 533 F C 2.703 178.339 175.800 -0.272 0.000 1.089 533 F CA 0.932 58.874 58.000 -0.096 0.000 1.282 533 F CB -1.102 37.877 39.000 -0.035 0.000 1.010 533 F HN 0.201 nan 8.300 nan 0.000 0.485 534 A N -0.599 122.035 122.820 -0.310 0.000 2.014 534 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 534 A C 2.083 179.105 177.584 -0.937 0.000 1.163 534 A CA 1.275 52.891 52.037 -0.701 0.000 0.652 534 A CB -1.036 17.361 19.000 -1.006 0.000 0.808 534 A HN 0.475 nan 8.150 nan 0.000 0.449 535 N N -0.393 117.885 118.700 -0.704 0.000 2.006 535 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 535 N C 1.710 177.258 175.510 0.063 0.000 1.070 535 N CA 1.461 54.392 53.050 -0.197 0.000 0.859 535 N CB -0.225 38.076 38.487 -0.310 0.000 1.060 535 N HN 0.239 nan 8.380 nan 0.000 0.424 536 L N 2.308 123.553 121.223 0.036 0.000 2.082 536 L HA -0.272 4.068 4.340 -0.000 0.000 0.223 536 L C 1.992 178.853 176.870 -0.014 0.000 1.086 536 L CA 1.775 56.663 54.840 0.080 0.000 0.793 536 L CB -1.074 41.075 42.059 0.149 0.000 0.896 536 L HN 0.348 nan 8.230 nan 0.000 0.441 537 E N -1.723 118.427 120.200 -0.083 0.000 2.265 537 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 537 E C 2.038 178.600 176.600 -0.063 0.000 0.996 537 E CA 1.624 57.944 56.400 -0.135 0.000 0.832 537 E CB -0.296 29.282 29.700 -0.203 0.000 0.756 537 E HN 0.702 nan 8.360 nan 0.000 0.491 538 F N 0.920 120.800 119.950 -0.117 0.000 2.274 538 F HA 0.246 4.773 4.527 -0.000 0.000 0.288 538 F C 2.325 178.205 175.800 0.133 0.000 1.069 538 F CA 0.894 58.911 58.000 0.028 0.000 1.343 538 F CB -0.528 38.579 39.000 0.177 0.000 1.089 538 F HN -0.088 nan 8.300 nan 0.000 0.517 539 A N 1.315 123.800 122.820 -0.558 0.000 1.954 539 A HA -0.319 4.000 4.320 -0.000 0.000 0.222 539 A C 1.682 179.194 177.584 -0.120 0.000 1.199 539 A CA 2.351 54.139 52.037 -0.416 0.000 0.657 539 A CB -1.267 17.698 19.000 -0.058 0.000 0.823 539 A HN 0.715 nan 8.150 nan 0.000 0.463 540 N N -0.963 117.699 118.700 -0.063 0.000 2.238 540 N HA 0.348 5.088 4.740 -0.000 0.000 0.222 540 N C 0.471 175.844 175.510 -0.229 0.000 1.133 540 N CA 0.601 53.637 53.050 -0.022 0.000 0.854 540 N CB 0.419 38.912 38.487 0.010 0.000 1.041 540 N HN 0.638 nan 8.380 nan 0.000 0.510 541 A N 0.899 123.540 122.820 -0.298 0.000 2.596 541 A HA -0.191 4.129 4.320 -0.000 0.000 0.300 541 A C 0.249 177.552 177.584 -0.468 0.000 1.495 541 A CA 1.445 53.205 52.037 -0.461 0.000 0.769 541 A CB -1.779 16.607 19.000 -1.024 0.000 1.047 541 A HN 0.323 nan 8.150 nan 0.000 0.436 542 T N -1.245 113.067 114.554 -0.404 0.000 3.168 542 T HA 0.457 4.807 4.350 -0.000 0.000 0.373 542 T C -3.283 171.207 174.700 -0.350 0.000 1.681 542 T CA -0.472 61.332 62.100 -0.493 0.000 1.135 542 T CB 1.312 69.568 68.868 -1.019 0.000 1.477 542 T HN 0.026 nan 8.240 nan 0.000 0.480 543 P HA 0.026 nan 4.420 nan 0.000 0.249 543 P C 1.420 178.579 177.300 -0.235 0.000 1.140 543 P CA 0.415 63.381 63.100 -0.222 0.000 0.803 543 P CB -0.126 31.468 31.700 -0.178 0.000 0.745 544 L N 2.404 123.481 121.223 -0.243 0.000 2.563 544 L HA -0.227 4.112 4.340 -0.000 0.000 0.230 544 L C 2.143 178.883 176.870 -0.215 0.000 1.162 544 L CA 1.859 56.538 54.840 -0.269 0.000 0.812 544 L CB -1.349 40.511 42.059 -0.333 0.000 0.935 544 L HN 0.384 nan 8.230 nan 0.000 0.451 545 S N -0.644 114.952 115.700 -0.173 0.000 2.453 545 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 545 S C 1.867 176.418 174.600 -0.081 0.000 1.005 545 S CA 1.095 59.221 58.200 -0.124 0.000 0.949 545 S CB -0.289 62.847 63.200 -0.106 0.000 0.774 545 S HN 0.620 nan 8.310 nan 0.000 0.510 546 T N -0.368 114.142 114.554 -0.074 0.000 3.034 546 T HA 0.392 4.742 4.350 -0.000 0.000 0.248 546 T C 0.677 175.461 174.700 0.141 0.000 1.040 546 T CA -0.421 61.705 62.100 0.044 0.000 1.107 546 T CB -0.633 68.291 68.868 0.093 0.000 0.932 546 T HN 0.316 nan 8.240 nan 0.000 0.474 547 L N 3.585 124.837 121.223 0.050 0.000 2.513 547 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 547 L C 0.973 177.901 176.870 0.098 0.000 1.187 547 L CA -0.453 54.473 54.840 0.144 0.000 0.895 547 L CB 0.215 42.274 42.059 0.000 0.000 1.147 547 L HN 0.294 nan 8.230 nan 0.000 0.483 548 S N 2.905 118.699 115.700 0.156 0.000 2.552 548 S HA -0.024 4.446 4.470 -0.000 0.000 0.289 548 S C 0.890 175.559 174.600 0.115 0.000 1.304 548 S CA -0.568 57.684 58.200 0.087 0.000 1.063 548 S CB 0.639 63.884 63.200 0.075 0.000 0.848 548 S HN 0.556 nan 8.310 nan 0.000 0.499 549 L N 4.896 126.127 121.223 0.014 0.000 2.093 549 L HA 0.099 4.438 4.340 -0.000 0.000 0.208 549 L C 2.406 179.329 176.870 0.089 0.000 1.085 549 L CA 1.814 56.682 54.840 0.048 0.000 0.755 549 L CB -0.529 41.503 42.059 -0.044 0.000 0.904 549 L HN 0.853 nan 8.230 nan 0.000 0.435 550 K N -1.546 118.778 120.400 -0.127 0.000 2.044 550 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 550 K C 0.516 176.992 176.600 -0.206 0.000 1.049 550 K CA 1.026 57.135 56.287 -0.296 0.000 0.945 550 K CB 0.072 32.184 32.500 -0.647 0.000 0.724 550 K HN 0.446 nan 8.250 nan 0.000 0.440 551 H N -0.617 118.513 119.070 0.100 0.000 2.507 551 H HA 0.025 4.581 4.556 -0.000 0.000 0.281 551 H C 0.680 176.054 175.328 0.076 0.000 1.160 551 H CA -0.323 55.750 56.048 0.041 0.000 0.981 551 H CB -0.196 29.585 29.762 0.032 0.000 1.665 551 H HN 0.477 nan 8.280 nan 0.000 0.554 552 W N 1.411 122.763 121.300 0.086 0.000 2.539 552 W HA 0.010 4.670 4.660 -0.000 0.000 0.281 552 W C -0.085 176.480 176.519 0.077 0.000 1.220 552 W CA 0.611 58.009 57.345 0.089 0.000 1.332 552 W CB -0.132 29.363 29.460 0.058 0.000 1.095 552 W HN 0.084 nan 8.180 nan 0.000 0.571 553 D N 2.023 121.767 120.400 -1.094 0.000 2.587 553 D HA -0.040 4.600 4.640 -0.000 0.000 0.233 553 D C 1.674 177.685 176.300 -0.482 0.000 1.213 553 D CA 0.081 53.500 54.000 -0.968 0.000 0.827 553 D CB -0.277 39.651 40.800 -1.452 0.000 1.006 553 D HN 0.394 nan 8.370 nan 0.000 0.490 554 Q N 1.230 120.872 119.800 -0.264 0.000 2.133 554 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 554 Q C 0.589 176.392 176.000 -0.328 0.000 0.991 554 Q CA 2.045 57.740 55.803 -0.180 0.000 0.867 554 Q CB -0.619 28.090 28.738 -0.048 0.000 0.911 554 Q HN 0.281 nan 8.270 nan 0.000 0.417 555 D N -0.271 119.914 120.400 -0.358 0.000 2.690 555 D HA 0.036 4.676 4.640 -0.000 0.000 0.236 555 D C -0.428 175.559 176.300 -0.522 0.000 1.218 555 D CA -0.073 53.590 54.000 -0.562 0.000 0.829 555 D CB 0.084 40.672 40.800 -0.354 0.000 1.009 555 D HN 0.270 nan 8.370 nan 0.000 0.482 556 D N 0.009 120.138 120.400 -0.452 0.000 2.319 556 D HA 0.012 4.651 4.640 -0.000 0.000 0.230 556 D C 0.149 176.304 176.300 -0.242 0.000 1.094 556 D CA 0.340 54.157 54.000 -0.305 0.000 0.856 556 D CB 0.371 41.004 40.800 -0.278 0.000 0.915 556 D HN 0.185 nan 8.370 nan 0.000 0.517 557 D N -1.206 118.977 120.400 -0.361 0.000 2.469 557 D HA 0.039 4.679 4.640 -0.000 0.000 0.240 557 D C 0.262 176.616 176.300 0.090 0.000 1.087 557 D CA 0.024 53.931 54.000 -0.155 0.000 0.876 557 D CB 0.101 40.796 40.800 -0.175 0.000 1.160 557 D HN 0.101 nan 8.370 nan 0.000 0.497 558 F N 1.994 121.867 119.950 -0.128 0.000 2.913 558 F HA 0.296 4.823 4.527 -0.000 0.000 0.293 558 F C 0.582 176.324 175.800 -0.098 0.000 1.223 558 F CA -0.934 56.990 58.000 -0.128 0.000 1.393 558 F CB -1.172 37.573 39.000 -0.425 0.000 1.102 558 F HN -0.108 nan 8.300 nan 0.000 0.524 559 E N 0.681 120.936 120.200 0.092 0.000 2.200 559 E HA 0.258 4.608 4.350 -0.000 0.000 0.283 559 E C 0.062 176.709 176.600 0.078 0.000 1.015 559 E CA -0.562 55.825 56.400 -0.022 0.000 0.819 559 E CB 0.886 30.602 29.700 0.027 0.000 1.081 559 E HN -0.046 nan 8.360 nan 0.000 0.397 560 F N 1.271 121.241 119.950 0.034 0.000 2.373 560 F HA 0.052 4.579 4.527 -0.000 0.000 0.285 560 F C 1.399 177.231 175.800 0.053 0.000 1.256 560 F CA -0.266 57.724 58.000 -0.016 0.000 1.297 560 F CB -0.392 38.545 39.000 -0.105 0.000 1.400 560 F HN 0.383 nan 8.300 nan 0.000 0.505 561 T N -2.480 112.259 114.554 0.309 0.000 2.906 561 T HA 0.690 5.040 4.350 -0.000 0.000 0.295 561 T C -0.223 174.573 174.700 0.161 0.000 1.075 561 T CA -0.410 61.828 62.100 0.229 0.000 1.005 561 T CB 1.377 70.406 68.868 0.267 0.000 1.136 561 T HN 1.477 nan 8.240 nan 0.000 0.498 562 G N 1.295 110.178 108.800 0.139 0.000 2.782 562 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.228 562 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.228 562 G C -0.248 174.732 174.900 0.133 0.000 1.372 562 G CA -0.525 44.644 45.100 0.115 0.000 0.862 562 G HN 1.492 nan 8.290 nan 0.000 0.547 563 S N 1.001 116.780 115.700 0.132 0.000 2.549 563 S HA 0.340 4.810 4.470 -0.000 0.000 0.283 563 S C 0.687 175.403 174.600 0.193 0.000 1.320 563 S CA -0.308 58.005 58.200 0.188 0.000 1.058 563 S CB 0.419 63.702 63.200 0.139 0.000 0.882 563 S HN 0.606 nan 8.310 nan 0.000 0.498 564 H N 0.829 119.974 119.070 0.125 0.000 2.730 564 H HA 0.430 4.986 4.556 -0.000 0.000 0.376 564 H C -0.357 175.033 175.328 0.102 0.000 1.299 564 H CA -0.080 56.048 56.048 0.132 0.000 1.447 564 H CB 0.378 30.237 29.762 0.162 0.000 1.493 564 H HN 0.314 nan 8.280 nan 0.000 0.619 565 L N -0.297 121.036 121.223 0.183 0.000 2.630 565 L HA 0.304 4.644 4.340 -0.000 0.000 0.258 565 L C -0.361 176.519 176.870 0.016 0.000 1.072 565 L CA -0.606 54.281 54.840 0.079 0.000 0.885 565 L CB 2.382 44.457 42.059 0.026 0.000 1.502 565 L HN 0.720 nan 8.230 nan 0.000 0.406 566 T N -2.107 112.414 114.554 -0.056 0.000 2.906 566 T HA 0.677 5.027 4.350 -0.000 0.000 0.295 566 T C -0.932 173.649 174.700 -0.198 0.000 1.075 566 T CA -0.747 61.265 62.100 -0.146 0.000 1.005 566 T CB 1.892 70.636 68.868 -0.207 0.000 1.136 566 T HN 0.190 nan 8.240 nan 0.000 0.498 567 V N 2.589 122.354 119.914 -0.248 0.000 2.247 567 V HA 0.295 4.415 4.120 -0.000 0.000 0.262 567 V C 1.643 177.622 176.094 -0.191 0.000 1.096 567 V CA -0.474 61.675 62.300 -0.251 0.000 0.895 567 V CB 0.189 31.774 31.823 -0.396 0.000 1.141 567 V HN 0.856 nan 8.190 nan 0.000 0.478 568 R N 3.190 123.583 120.500 -0.178 0.000 2.159 568 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 568 R C 1.785 178.077 176.300 -0.014 0.000 1.131 568 R CA 1.777 57.777 56.100 -0.167 0.000 0.982 568 R CB 0.161 30.399 30.300 -0.103 0.000 0.868 568 R HN 0.862 nan 8.270 nan 0.000 0.453 569 N N -0.933 117.768 118.700 0.002 0.000 2.280 569 N HA 0.074 4.814 4.740 -0.000 0.000 0.192 569 N C -0.132 175.432 175.510 0.091 0.000 1.109 569 N CA 0.807 53.891 53.050 0.058 0.000 0.855 569 N CB 0.994 39.498 38.487 0.028 0.000 0.974 569 N HN 0.156 nan 8.380 nan 0.000 0.482 570 G N 1.141 109.999 108.800 0.097 0.000 2.897 570 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.436 570 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.436 570 G C 0.006 175.007 174.900 0.169 0.000 1.079 570 G CA -0.275 44.927 45.100 0.171 0.000 1.090 570 G HN 0.046 nan 8.290 nan 0.000 0.480 571 Y N 1.166 121.507 120.300 0.069 0.000 2.418 571 Y HA -0.423 4.127 4.550 -0.000 0.000 0.268 571 Y C 3.176 179.106 175.900 0.051 0.000 1.342 571 Y CA 3.633 61.764 58.100 0.051 0.000 1.094 571 Y CB -0.807 37.682 38.460 0.049 0.000 0.883 571 Y HN 1.308 nan 8.280 nan 0.000 0.542 572 S N -0.432 115.421 115.700 0.255 0.000 2.407 572 S HA -0.329 4.141 4.470 -0.000 0.000 0.235 572 S C 2.361 177.041 174.600 0.133 0.000 1.036 572 S CA 1.940 60.239 58.200 0.165 0.000 1.013 572 S CB -1.673 61.606 63.200 0.132 0.000 0.820 572 S HN 0.704 nan 8.310 nan 0.000 0.476 573 C N 0.801 120.174 119.300 0.121 0.000 2.385 573 C HA -0.085 4.375 4.460 -0.000 0.000 0.275 573 C C 2.343 177.383 174.990 0.084 0.000 1.199 573 C CA 0.718 59.784 59.018 0.080 0.000 1.782 573 C CB -1.897 25.874 27.740 0.051 0.000 2.068 573 C HN 0.460 nan 8.230 nan 0.000 0.471 574 V N 2.449 122.442 119.914 0.132 0.000 2.223 574 V HA -0.099 4.021 4.120 -0.000 0.000 0.244 574 V C 0.437 176.585 176.094 0.090 0.000 1.045 574 V CA 2.772 65.150 62.300 0.130 0.000 1.000 574 V CB -1.912 30.047 31.823 0.227 0.000 0.635 574 V HN 0.280 nan 8.190 nan 0.000 0.445 575 P HA -0.157 nan 4.420 nan 0.000 0.218 575 P C 1.714 179.036 177.300 0.037 0.000 1.150 575 P CA 1.733 64.859 63.100 0.044 0.000 0.841 575 P CB -0.160 31.563 31.700 0.038 0.000 0.784 576 V N -1.469 118.473 119.914 0.047 0.000 2.788 576 V HA -0.033 4.087 4.120 -0.000 0.000 0.251 576 V C 2.362 178.471 176.094 0.024 0.000 1.068 576 V CA 1.257 63.577 62.300 0.033 0.000 1.090 576 V CB -1.747 30.098 31.823 0.036 0.000 0.710 576 V HN 0.073 nan 8.190 nan 0.000 0.467 577 A N 1.598 124.434 122.820 0.027 0.000 1.837 577 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 577 A C 2.211 179.798 177.584 0.005 0.000 1.210 577 A CA 2.388 54.435 52.037 0.016 0.000 0.632 577 A CB -0.895 18.116 19.000 0.017 0.000 0.843 577 A HN 0.467 nan 8.150 nan 0.000 0.448 578 L N -0.681 120.543 121.223 0.003 0.000 2.021 578 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 578 L C 2.945 179.806 176.870 -0.015 0.000 1.074 578 L CA 1.434 56.265 54.840 -0.015 0.000 0.760 578 L CB -0.980 41.069 42.059 -0.015 0.000 0.889 578 L HN 0.492 nan 8.230 nan 0.000 0.433 579 A N -0.886 121.931 122.820 -0.005 0.000 2.183 579 A HA -0.248 4.071 4.320 -0.000 0.000 0.224 579 A C 1.295 178.876 177.584 -0.004 0.000 1.169 579 A CA 1.440 53.474 52.037 -0.004 0.000 0.674 579 A CB -0.720 18.283 19.000 0.006 0.000 0.812 579 A HN 0.531 nan 8.150 nan 0.000 0.481 580 E N -0.432 119.767 120.200 -0.003 0.000 2.174 580 E HA 0.417 4.767 4.350 -0.000 0.000 0.282 580 E C 0.290 176.893 176.600 0.004 0.000 0.992 580 E CA 0.226 56.628 56.400 0.003 0.000 0.803 580 E CB 0.589 30.293 29.700 0.007 0.000 1.090 580 E HN 0.844 nan 8.360 nan 0.000 0.396 581 G N 4.670 113.475 108.800 0.008 0.000 2.438 581 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.272 581 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.272 581 G C -0.510 174.392 174.900 0.004 0.000 0.991 581 G CA 0.270 45.376 45.100 0.010 0.000 1.348 581 G HN 0.476 nan 8.290 nan 0.000 0.483 582 L N 0.943 122.168 121.223 0.002 0.000 2.847 582 L HA 0.206 4.546 4.340 -0.000 0.000 0.261 582 L C -1.104 175.767 176.870 0.002 0.000 0.926 582 L CA -1.056 53.781 54.840 -0.005 0.000 1.010 582 L CB 1.892 43.943 42.059 -0.015 0.000 1.538 582 L HN 0.410 nan 8.230 nan 0.000 0.465 583 D N 4.891 125.294 120.400 0.005 0.000 2.374 583 D HA 0.371 5.011 4.640 -0.000 0.000 0.240 583 D C -0.632 175.680 176.300 0.019 0.000 1.229 583 D CA 0.336 54.348 54.000 0.019 0.000 0.895 583 D CB 0.469 41.287 40.800 0.029 0.000 1.046 583 D HN 0.295 nan 8.370 nan 0.000 0.498 584 I N 4.703 125.284 120.570 0.019 0.000 2.420 584 I HA 0.137 4.307 4.170 -0.000 0.000 0.282 584 I C 0.209 176.340 176.117 0.023 0.000 1.019 584 I CA -0.936 60.369 61.300 0.007 0.000 1.130 584 I CB 1.145 39.142 38.000 -0.007 0.000 1.262 584 I HN 0.022 nan 8.210 nan 0.000 0.454 585 K N 7.750 128.173 120.400 0.037 0.000 2.378 585 K HA 0.395 4.715 4.320 -0.000 0.000 0.288 585 K C -0.579 176.015 176.600 -0.010 0.000 1.057 585 K CA -0.128 56.195 56.287 0.060 0.000 0.971 585 K CB 0.962 33.553 32.500 0.151 0.000 0.975 585 K HN 0.530 nan 8.250 nan 0.000 0.475 586 L N 2.586 123.804 121.223 -0.009 0.000 2.344 586 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 586 L C 0.324 177.158 176.870 -0.061 0.000 1.035 586 L CA -0.847 53.963 54.840 -0.050 0.000 0.807 586 L CB 0.782 42.826 42.059 -0.025 0.000 1.237 586 L HN 0.659 nan 8.230 nan 0.000 0.442 587 N N 0.467 119.102 118.700 -0.108 0.000 2.758 587 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 587 N C -0.788 174.626 175.510 -0.159 0.000 1.076 587 N CA 0.913 53.894 53.050 -0.115 0.000 0.696 587 N CB -1.444 37.012 38.487 -0.053 0.000 0.979 587 N HN 0.724 nan 8.380 nan 0.000 0.550 588 T N -0.808 113.621 114.554 -0.208 0.000 2.906 588 T HA 0.711 5.061 4.350 -0.000 0.000 0.302 588 T C 0.042 174.572 174.700 -0.283 0.000 1.002 588 T CA -0.456 61.504 62.100 -0.233 0.000 0.988 588 T CB 1.976 70.748 68.868 -0.159 0.000 0.972 588 T HN 0.378 nan 8.240 nan 0.000 0.447 589 A N 3.232 125.900 122.820 -0.253 0.000 2.258 589 A HA 0.699 5.019 4.320 -0.000 0.000 0.316 589 A C 0.121 177.623 177.584 -0.137 0.000 1.279 589 A CA -0.657 51.232 52.037 -0.246 0.000 0.876 589 A CB 0.543 19.460 19.000 -0.138 0.000 1.170 589 A HN 0.715 nan 8.150 nan 0.000 0.520 590 V N 4.840 124.671 119.914 -0.138 0.000 2.521 590 V HA 0.123 4.242 4.120 -0.000 0.000 0.286 590 V C 1.117 177.179 176.094 -0.053 0.000 1.034 590 V CA 0.125 62.367 62.300 -0.097 0.000 1.045 590 V CB 0.611 32.370 31.823 -0.106 0.000 0.974 590 V HN 1.033 nan 8.190 nan 0.000 0.480 591 R N 2.662 123.140 120.500 -0.036 0.000 2.064 591 R HA 0.210 4.550 4.340 -0.000 0.000 0.210 591 R C 0.631 176.893 176.300 -0.063 0.000 1.221 591 R CA 0.142 56.225 56.100 -0.029 0.000 1.055 591 R CB 0.202 30.503 30.300 0.001 0.000 0.946 591 R HN 0.635 nan 8.270 nan 0.000 0.459 592 Q N 1.061 120.844 119.800 -0.028 0.000 2.256 592 Q HA 0.345 4.685 4.340 -0.000 0.000 0.257 592 Q C -1.382 174.621 176.000 0.006 0.000 0.936 592 Q CA -0.316 55.474 55.803 -0.021 0.000 0.903 592 Q CB 2.187 30.948 28.738 0.038 0.000 1.263 592 Q HN -0.091 nan 8.270 nan 0.000 0.440 593 V N 5.071 124.998 119.914 0.021 0.000 2.304 593 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 593 V C -0.682 175.610 176.094 0.330 0.000 1.018 593 V CA -0.531 61.871 62.300 0.171 0.000 0.814 593 V CB 1.176 33.151 31.823 0.254 0.000 1.021 593 V HN 0.705 nan 8.190 nan 0.000 0.440 594 R N 5.127 125.799 120.500 0.287 0.000 2.229 594 R HA 0.540 4.880 4.340 -0.000 0.000 0.328 594 R C -1.293 175.247 176.300 0.400 0.000 1.009 594 R CA -0.559 55.746 56.100 0.341 0.000 0.864 594 R CB 1.130 31.547 30.300 0.195 0.000 1.085 594 R HN 0.708 nan 8.270 nan 0.000 0.453 595 Y N -0.338 120.024 120.300 0.104 0.000 2.331 595 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 595 Y C -0.154 175.786 175.900 0.067 0.000 0.960 595 Y CA -1.601 56.548 58.100 0.081 0.000 1.130 595 Y CB 0.897 39.393 38.460 0.059 0.000 1.164 595 Y HN 0.592 nan 8.280 nan 0.000 0.458 596 T N -1.098 113.474 114.554 0.030 0.000 2.762 596 T HA 0.758 5.108 4.350 -0.000 0.000 0.272 596 T C 1.037 175.752 174.700 0.024 0.000 0.982 596 T CA -0.373 61.700 62.100 -0.044 0.000 1.013 596 T CB 1.289 70.144 68.868 -0.022 0.000 1.309 596 T HN 0.775 nan 8.240 nan 0.000 0.572 597 A N 0.523 123.347 122.820 0.007 0.000 2.016 597 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 597 A C 2.183 179.797 177.584 0.051 0.000 1.162 597 A CA 1.382 53.434 52.037 0.026 0.000 0.662 597 A CB -0.991 18.012 19.000 0.004 0.000 0.812 597 A HN 1.117 nan 8.150 nan 0.000 0.450 598 S N -1.728 114.003 115.700 0.051 0.000 2.572 598 S HA 0.509 4.979 4.470 -0.000 0.000 0.228 598 S C 0.682 175.334 174.600 0.088 0.000 0.963 598 S CA 0.437 58.673 58.200 0.061 0.000 0.939 598 S CB -0.349 62.877 63.200 0.043 0.000 0.804 598 S HN 1.787 nan 8.310 nan 0.000 0.480 599 G N -0.140 108.727 108.800 0.112 0.000 2.340 599 G HA2 0.165 4.125 3.960 -0.000 0.000 0.527 599 G HA3 0.165 4.125 3.960 -0.000 0.000 0.527 599 G C -0.932 174.055 174.900 0.145 0.000 1.381 599 G CA -0.661 44.524 45.100 0.141 0.000 1.001 599 G HN 0.525 nan 8.290 nan 0.000 0.626 600 C N 0.478 119.874 119.300 0.160 0.000 2.365 600 C HA 0.788 5.248 4.460 -0.000 0.000 0.351 600 C C 0.355 175.431 174.990 0.144 0.000 1.240 600 C CA -0.627 58.496 59.018 0.175 0.000 2.062 600 C CB 0.497 28.343 27.740 0.175 0.000 2.387 600 C HN 0.886 nan 8.230 nan 0.000 0.537 601 E N 0.871 121.161 120.200 0.150 0.000 2.199 601 E HA 0.683 5.033 4.350 -0.000 0.000 0.269 601 E C -1.647 175.046 176.600 0.156 0.000 0.899 601 E CA -0.587 55.900 56.400 0.143 0.000 0.772 601 E CB 1.391 31.163 29.700 0.119 0.000 1.155 601 E HN 0.378 nan 8.360 nan 0.000 0.408 602 V N 4.716 124.730 119.914 0.167 0.000 2.384 602 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 602 V C -0.089 176.103 176.094 0.163 0.000 1.020 602 V CA -0.657 61.724 62.300 0.134 0.000 0.850 602 V CB 0.892 32.759 31.823 0.072 0.000 0.987 602 V HN 0.673 nan 8.190 nan 0.000 0.436 603 I N 4.217 124.859 120.570 0.120 0.000 2.353 603 I HA 0.798 4.968 4.170 -0.000 0.000 0.293 603 I C 0.397 176.563 176.117 0.081 0.000 0.992 603 I CA -0.160 61.222 61.300 0.137 0.000 1.268 603 I CB 1.595 39.660 38.000 0.110 0.000 1.387 603 I HN 0.701 nan 8.210 nan 0.000 0.478 604 A N 5.675 128.566 122.820 0.120 0.000 2.527 604 A HA 0.910 5.229 4.320 -0.000 0.000 0.293 604 A C -0.723 176.841 177.584 -0.033 0.000 1.117 604 A CA -0.590 51.454 52.037 0.011 0.000 0.723 604 A CB 1.859 20.827 19.000 -0.054 0.000 1.313 604 A HN 0.529 nan 8.150 nan 0.000 0.411 605 V N -1.009 118.823 119.914 -0.136 0.000 3.113 605 V HA 0.656 4.776 4.120 -0.000 0.000 0.316 605 V C -0.108 175.763 176.094 -0.372 0.000 1.125 605 V CA -1.203 60.961 62.300 -0.228 0.000 1.026 605 V CB 1.739 33.505 31.823 -0.095 0.000 1.080 605 V HN 0.852 nan 8.190 nan 0.000 0.444 606 N N 1.401 119.848 118.700 -0.423 0.000 2.420 606 N HA 0.194 4.934 4.740 -0.000 0.000 0.262 606 N C 1.311 176.744 175.510 -0.128 0.000 1.144 606 N CA 0.620 53.483 53.050 -0.311 0.000 0.952 606 N CB 1.265 39.593 38.487 -0.266 0.000 1.081 606 N HN 0.965 nan 8.380 nan 0.000 0.480 607 T N 1.456 115.960 114.554 -0.083 0.000 2.849 607 T HA -0.149 4.201 4.350 -0.000 0.000 0.270 607 T C 1.563 176.283 174.700 0.033 0.000 1.066 607 T CA 1.151 63.264 62.100 0.021 0.000 1.130 607 T CB -0.025 68.882 68.868 0.065 0.000 0.864 607 T HN 0.447 nan 8.240 nan 0.000 0.481 608 R N 1.327 121.829 120.500 0.004 0.000 2.054 608 R HA 0.173 4.513 4.340 -0.000 0.000 0.223 608 R C 1.627 177.934 176.300 0.012 0.000 1.176 608 R CA 1.096 57.206 56.100 0.016 0.000 0.934 608 R CB -0.440 29.869 30.300 0.014 0.000 0.828 608 R HN 0.339 nan 8.270 nan 0.000 0.441 609 S N 0.859 116.560 115.700 0.002 0.000 2.404 609 S HA 0.056 4.526 4.470 -0.000 0.000 0.309 609 S C 0.775 175.368 174.600 -0.011 0.000 1.076 609 S CA -0.584 57.619 58.200 0.005 0.000 1.095 609 S CB 1.111 64.320 63.200 0.015 0.000 0.972 609 S HN 0.416 nan 8.310 nan 0.000 0.484 610 T N 1.065 115.618 114.554 -0.001 0.000 3.107 610 T HA 0.043 4.393 4.350 -0.000 0.000 0.249 610 T C 1.411 176.111 174.700 0.000 0.000 1.096 610 T CA 0.575 62.670 62.100 -0.008 0.000 1.012 610 T CB -0.206 68.669 68.868 0.012 0.000 0.977 610 T HN 0.614 nan 8.240 nan 0.000 0.527 611 S N 0.324 116.031 115.700 0.011 0.000 2.710 611 S HA 0.150 4.620 4.470 -0.000 0.000 0.224 611 S C 0.568 175.188 174.600 0.033 0.000 0.948 611 S CA -0.623 57.590 58.200 0.021 0.000 0.949 611 S CB -0.331 62.883 63.200 0.023 0.000 0.778 611 S HN 0.536 nan 8.310 nan 0.000 0.498 612 Q N 2.036 121.850 119.800 0.023 0.000 2.363 612 Q HA 0.334 4.674 4.340 -0.000 0.000 0.265 612 Q C -1.390 174.641 176.000 0.052 0.000 1.032 612 Q CA -0.100 55.738 55.803 0.058 0.000 0.746 612 Q CB 1.759 30.530 28.738 0.054 0.000 1.237 612 Q HN 0.439 nan 8.270 nan 0.000 0.475 613 T N 3.353 118.019 114.554 0.186 0.000 2.855 613 T HA 0.620 4.970 4.350 -0.000 0.000 0.281 613 T C -0.252 174.804 174.700 0.594 0.000 1.007 613 T CA -0.355 61.887 62.100 0.236 0.000 1.009 613 T CB 0.900 69.862 68.868 0.156 0.000 0.983 613 T HN 0.331 nan 8.240 nan 0.000 0.455 614 F N 1.731 121.744 119.950 0.105 0.000 2.520 614 F HA 0.574 5.101 4.527 -0.000 0.000 0.322 614 F C -0.070 175.849 175.800 0.198 0.000 1.103 614 F CA -1.443 56.650 58.000 0.154 0.000 0.926 614 F CB 1.715 40.919 39.000 0.340 0.000 1.154 614 F HN 0.182 nan 8.300 nan 0.000 0.453 615 I N 3.175 123.890 120.570 0.242 0.000 2.474 615 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 615 I C -1.276 174.910 176.117 0.114 0.000 1.005 615 I CA -0.854 60.573 61.300 0.211 0.000 1.113 615 I CB 1.869 39.919 38.000 0.084 0.000 1.289 615 I HN 0.478 nan 8.210 nan 0.000 0.436 616 Y N 4.489 124.828 120.300 0.065 0.000 2.350 616 Y HA 0.378 4.927 4.550 -0.000 0.000 0.338 616 Y C 0.141 176.066 175.900 0.042 0.000 0.961 616 Y CA -0.995 57.131 58.100 0.044 0.000 1.100 616 Y CB 1.686 40.177 38.460 0.052 0.000 1.179 616 Y HN 0.289 nan 8.280 nan 0.000 0.454 617 K N 3.517 123.990 120.400 0.121 0.000 2.183 617 K HA 0.702 5.022 4.320 -0.000 0.000 0.274 617 K C -0.333 176.325 176.600 0.097 0.000 1.009 617 K CA -0.216 56.129 56.287 0.096 0.000 0.888 617 K CB 1.370 33.901 32.500 0.051 0.000 1.078 617 K HN 0.895 nan 8.250 nan 0.000 0.459 618 C N -1.066 118.290 119.300 0.094 0.000 3.314 618 C HA 0.418 4.878 4.460 -0.000 0.000 0.344 618 C C 0.576 175.608 174.990 0.071 0.000 1.461 618 C CA -0.761 58.297 59.018 0.067 0.000 1.249 618 C CB 1.001 28.771 27.740 0.050 0.000 1.632 618 C HN 0.827 nan 8.230 nan 0.000 0.452 619 D N 0.718 121.136 120.400 0.031 0.000 2.277 619 D HA 0.328 4.968 4.640 -0.000 0.000 0.209 619 D C 0.767 177.082 176.300 0.024 0.000 0.970 619 D CA 1.570 55.621 54.000 0.085 0.000 0.874 619 D CB 0.840 41.707 40.800 0.111 0.000 0.982 619 D HN 0.955 nan 8.370 nan 0.000 0.504 620 A N 0.215 122.941 122.820 -0.156 0.000 2.532 620 A HA 0.625 4.945 4.320 -0.000 0.000 0.290 620 A C -1.308 176.244 177.584 -0.053 0.000 1.143 620 A CA -0.473 51.487 52.037 -0.129 0.000 0.728 620 A CB 2.418 21.104 19.000 -0.524 0.000 1.317 620 A HN -0.079 nan 8.150 nan 0.000 0.414 621 V N 0.973 120.906 119.914 0.031 0.000 2.612 621 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 621 V C -1.492 174.608 176.094 0.009 0.000 1.059 621 V CA -0.331 61.974 62.300 0.008 0.000 0.886 621 V CB 1.533 33.373 31.823 0.030 0.000 1.007 621 V HN 0.946 nan 8.190 nan 0.000 0.426 622 L N 6.934 128.136 121.223 -0.035 0.000 2.333 622 L HA 0.839 5.178 4.340 -0.000 0.000 0.280 622 L C -0.532 176.337 176.870 -0.002 0.000 1.004 622 L CA -0.007 54.815 54.840 -0.030 0.000 0.820 622 L CB 1.372 43.384 42.059 -0.079 0.000 1.247 622 L HN 0.831 nan 8.230 nan 0.000 0.416 623 C N 3.738 123.059 119.300 0.035 0.000 2.345 623 C HA 0.721 5.181 4.460 -0.000 0.000 0.323 623 C C 1.264 176.388 174.990 0.223 0.000 1.276 623 C CA 0.410 59.522 59.018 0.156 0.000 1.543 623 C CB 0.562 28.460 27.740 0.263 0.000 2.211 623 C HN 1.024 nan 8.230 nan 0.000 0.493 624 T N 2.701 117.338 114.554 0.138 0.000 2.985 624 T HA 0.225 4.575 4.350 -0.000 0.000 0.254 624 T C 0.643 175.433 174.700 0.149 0.000 1.021 624 T CA -0.250 61.912 62.100 0.103 0.000 0.957 624 T CB -0.376 68.508 68.868 0.028 0.000 1.047 624 T HN 0.723 nan 8.240 nan 0.000 0.511 625 L N 2.963 124.273 121.223 0.144 0.000 2.862 625 L HA 0.024 4.364 4.340 -0.000 0.000 0.297 625 L C -2.131 174.818 176.870 0.132 0.000 1.190 625 L CA -0.748 54.166 54.840 0.122 0.000 0.902 625 L CB -0.308 41.822 42.059 0.119 0.000 1.236 625 L HN 0.197 nan 8.230 nan 0.000 0.485 626 P HA 0.088 nan 4.420 nan 0.000 0.279 626 P C 0.509 177.523 177.300 -0.477 0.000 1.276 626 P CA -0.784 62.290 63.100 -0.044 0.000 0.801 626 P CB 0.724 32.450 31.700 0.044 0.000 1.127 627 L N 1.665 122.210 121.223 -1.130 0.000 1.952 627 L HA -0.207 4.133 4.340 -0.000 0.000 0.231 627 L C 2.346 178.789 176.870 -0.712 0.000 1.088 627 L CA 3.034 57.130 54.840 -1.241 0.000 0.802 627 L CB -2.264 38.908 42.059 -1.478 0.000 0.903 627 L HN 0.704 nan 8.230 nan 0.000 0.439 628 G N -0.826 107.554 108.800 -0.701 0.000 3.550 628 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.327 628 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.327 628 G C 1.498 176.400 174.900 0.003 0.000 1.344 628 G CA 2.735 47.891 45.100 0.093 0.000 1.399 628 G HN 0.477 nan 8.290 nan 0.000 1.219 629 V N 1.273 121.183 119.914 -0.007 0.000 2.407 629 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 629 V C 2.954 179.025 176.094 -0.038 0.000 1.055 629 V CA 2.029 64.340 62.300 0.018 0.000 1.049 629 V CB -0.613 31.254 31.823 0.074 0.000 0.662 629 V HN 0.452 nan 8.190 nan 0.000 0.455 630 L N -0.406 120.753 121.223 -0.108 0.000 1.970 630 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 630 L C 2.668 179.485 176.870 -0.088 0.000 1.071 630 L CA 2.027 56.806 54.840 -0.101 0.000 0.751 630 L CB -0.674 41.262 42.059 -0.205 0.000 0.889 630 L HN 0.253 nan 8.230 nan 0.000 0.432 631 K N -0.267 120.061 120.400 -0.119 0.000 2.077 631 K HA -0.210 4.110 4.320 -0.000 0.000 0.213 631 K C 0.884 177.464 176.600 -0.033 0.000 1.051 631 K CA 0.958 57.202 56.287 -0.071 0.000 0.929 631 K CB -0.265 32.204 32.500 -0.052 0.000 0.715 631 K HN 0.267 nan 8.250 nan 0.000 0.451 632 Q N 0.856 120.646 119.800 -0.017 0.000 2.748 632 Q HA -0.181 4.159 4.340 -0.000 0.000 0.385 632 Q C -0.706 175.283 176.000 -0.019 0.000 1.156 632 Q CA 1.023 56.819 55.803 -0.012 0.000 1.143 632 Q CB 0.318 29.050 28.738 -0.010 0.000 1.138 632 Q HN 0.044 nan 8.270 nan 0.000 0.445 633 Q N 3.369 123.159 119.800 -0.017 0.000 2.567 633 Q HA 0.282 4.622 4.340 -0.000 0.000 0.233 633 Q C -2.343 173.648 176.000 -0.015 0.000 0.833 633 Q CA -1.062 54.732 55.803 -0.016 0.000 0.844 633 Q CB 1.033 29.762 28.738 -0.016 0.000 1.423 633 Q HN 0.469 nan 8.270 nan 0.000 0.442 634 P HA 0.326 nan 4.420 nan 0.000 0.270 634 P C -2.717 174.571 177.300 -0.019 0.000 1.227 634 P CA -0.983 62.108 63.100 -0.014 0.000 0.788 634 P CB 0.163 31.855 31.700 -0.013 0.000 0.926 635 P HA 0.221 nan 4.420 nan 0.000 0.286 635 P C 0.096 177.373 177.300 -0.038 0.000 1.261 635 P CA -0.417 62.664 63.100 -0.032 0.000 0.821 635 P CB 1.152 32.829 31.700 -0.038 0.000 1.013 636 A N 2.822 125.622 122.820 -0.034 0.000 1.840 636 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 636 A C 0.738 178.299 177.584 -0.039 0.000 1.198 636 A CA 1.382 53.411 52.037 -0.014 0.000 0.608 636 A CB -1.148 17.869 19.000 0.028 0.000 0.839 636 A HN 0.454 nan 8.150 nan 0.000 0.443 637 V N 1.104 120.957 119.914 -0.100 0.000 2.432 637 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 637 V C 0.081 175.979 176.094 -0.327 0.000 1.046 637 V CA -0.429 61.730 62.300 -0.235 0.000 0.945 637 V CB 0.796 32.387 31.823 -0.386 0.000 0.992 637 V HN 0.534 nan 8.190 nan 0.000 0.471 638 Q N 3.364 123.012 119.800 -0.252 0.000 2.322 638 Q HA 0.408 4.748 4.340 -0.000 0.000 0.256 638 Q C -1.192 174.670 176.000 -0.232 0.000 0.960 638 Q CA -0.466 55.230 55.803 -0.179 0.000 0.934 638 Q CB 0.747 29.455 28.738 -0.050 0.000 1.200 638 Q HN 0.672 nan 8.270 nan 0.000 0.435 639 F N 2.153 122.141 119.950 0.062 0.000 2.399 639 F HA 0.264 4.791 4.527 -0.000 0.000 0.342 639 F C 0.318 176.228 175.800 0.183 0.000 1.106 639 F CA -0.493 57.575 58.000 0.113 0.000 1.196 639 F CB 0.972 40.022 39.000 0.082 0.000 1.163 639 F HN 0.157 nan 8.300 nan 0.000 0.547 640 V N 5.258 125.475 119.914 0.504 0.000 2.445 640 V HA 0.305 4.424 4.120 -0.000 0.000 0.283 640 V C -2.158 174.058 176.094 0.203 0.000 1.014 640 V CA -1.598 60.883 62.300 0.301 0.000 0.852 640 V CB 1.671 33.607 31.823 0.188 0.000 1.021 640 V HN 0.542 nan 8.190 nan 0.000 0.435 641 P HA 0.388 nan 4.420 nan 0.000 0.276 641 P C -2.785 174.679 177.300 0.273 0.000 1.252 641 P CA -1.910 61.245 63.100 0.091 0.000 0.802 641 P CB 0.587 32.261 31.700 -0.043 0.000 1.035 642 P HA -0.007 nan 4.420 nan 0.000 0.270 642 P C -0.093 177.295 177.300 0.148 0.000 1.216 642 P CA 0.651 63.859 63.100 0.181 0.000 0.788 642 P CB 0.201 31.964 31.700 0.104 0.000 0.883 643 L N 3.440 124.699 121.223 0.061 0.000 2.349 643 L HA 0.235 4.575 4.340 -0.000 0.000 0.275 643 L C -1.690 175.109 176.870 -0.119 0.000 1.115 643 L CA -1.972 52.814 54.840 -0.091 0.000 0.820 643 L CB 0.249 42.166 42.059 -0.235 0.000 1.135 643 L HN 0.282 nan 8.230 nan 0.000 0.445 644 P HA -0.153 nan 4.420 nan 0.000 0.260 644 P C 0.347 177.433 177.300 -0.356 0.000 1.147 644 P CA 0.366 63.369 63.100 -0.161 0.000 0.758 644 P CB 0.402 31.961 31.700 -0.235 0.000 0.744 645 E N 6.363 126.492 120.200 -0.120 0.000 2.097 645 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 645 E C 1.740 178.237 176.600 -0.172 0.000 1.000 645 E CA 1.685 58.018 56.400 -0.111 0.000 0.804 645 E CB -1.092 28.607 29.700 -0.003 0.000 0.740 645 E HN 0.629 nan 8.360 nan 0.000 0.454 646 W N 1.442 122.729 121.300 -0.022 0.000 2.321 646 W HA -0.232 4.428 4.660 -0.000 0.000 0.285 646 W C 1.681 178.172 176.519 -0.046 0.000 1.213 646 W CA 1.512 58.839 57.345 -0.030 0.000 1.205 646 W CB -0.886 28.559 29.460 -0.024 0.000 1.134 646 W HN 0.268 nan 8.180 nan 0.000 0.549 647 K N 1.798 121.670 120.400 -0.881 0.000 2.102 647 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 647 K C 2.513 178.837 176.600 -0.460 0.000 1.031 647 K CA 2.999 58.768 56.287 -0.863 0.000 0.962 647 K CB -1.099 30.574 32.500 -1.378 0.000 0.811 647 K HN 0.006 nan 8.250 nan 0.000 0.453 648 T N -0.923 113.401 114.554 -0.383 0.000 2.624 648 T HA -0.246 4.104 4.350 -0.000 0.000 0.266 648 T C 2.102 176.698 174.700 -0.172 0.000 1.050 648 T CA 2.343 64.308 62.100 -0.224 0.000 1.163 648 T CB -1.208 67.570 68.868 -0.151 0.000 0.861 648 T HN 0.207 nan 8.240 nan 0.000 0.443 649 S N 1.583 117.195 115.700 -0.146 0.000 2.413 649 S HA -0.085 4.385 4.470 -0.000 0.000 0.237 649 S C 2.401 176.933 174.600 -0.113 0.000 1.044 649 S CA 1.413 59.553 58.200 -0.100 0.000 1.024 649 S CB -0.824 62.344 63.200 -0.053 0.000 0.829 649 S HN 0.884 nan 8.310 nan 0.000 0.475 650 A N 0.057 122.788 122.820 -0.149 0.000 2.044 650 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 650 A C 2.187 179.661 177.584 -0.183 0.000 1.169 650 A CA 0.485 52.435 52.037 -0.145 0.000 0.724 650 A CB -0.329 18.597 19.000 -0.123 0.000 0.840 650 A HN 0.326 nan 8.150 nan 0.000 0.463 651 V N 0.291 120.081 119.914 -0.208 0.000 2.237 651 V HA -0.356 3.764 4.120 -0.000 0.000 0.245 651 V C 2.564 178.553 176.094 -0.175 0.000 1.046 651 V CA 2.407 64.576 62.300 -0.218 0.000 1.007 651 V CB -1.098 30.590 31.823 -0.227 0.000 0.638 651 V HN 0.633 nan 8.190 nan 0.000 0.445 652 Q N -0.216 119.502 119.800 -0.138 0.000 1.900 652 Q HA -0.273 4.067 4.340 -0.000 0.000 0.219 652 Q C 2.434 178.362 176.000 -0.119 0.000 1.012 652 Q CA 2.269 58.008 55.803 -0.108 0.000 0.876 652 Q CB -0.432 28.257 28.738 -0.083 0.000 0.952 652 Q HN 0.389 nan 8.270 nan 0.000 0.419 653 R N -0.423 120.009 120.500 -0.114 0.000 2.293 653 R HA -0.198 4.142 4.340 -0.000 0.000 0.270 653 R C 0.368 176.569 176.300 -0.165 0.000 1.192 653 R CA 1.022 57.050 56.100 -0.120 0.000 1.017 653 R CB -0.264 29.967 30.300 -0.115 0.000 0.887 653 R HN 0.334 nan 8.270 nan 0.000 0.480 654 M N -0.629 118.849 119.600 -0.203 0.000 2.363 654 M HA 0.198 4.678 4.480 -0.000 0.000 0.343 654 M C 0.183 176.290 176.300 -0.321 0.000 1.165 654 M CA -0.284 54.850 55.300 -0.277 0.000 1.046 654 M CB 1.932 34.362 32.600 -0.283 0.000 1.648 654 M HN 0.036 nan 8.290 nan 0.000 0.452 655 G N 2.986 111.456 108.800 -0.551 0.000 2.389 655 G HA2 0.221 4.181 3.960 -0.000 0.000 0.287 655 G HA3 0.221 4.181 3.960 -0.000 0.000 0.287 655 G C -1.066 173.590 174.900 -0.406 0.000 1.126 655 G CA -0.173 44.279 45.100 -1.080 0.000 1.073 655 G HN 0.510 nan 8.290 nan 0.000 0.429 656 F N 4.042 123.890 119.950 -0.169 0.000 2.335 656 F HA 0.532 5.059 4.527 -0.000 0.000 0.365 656 F C 0.904 176.851 175.800 0.244 0.000 1.122 656 F CA -1.419 56.615 58.000 0.058 0.000 1.151 656 F CB 0.735 39.724 39.000 -0.017 0.000 1.282 656 F HN 0.488 nan 8.300 nan 0.000 0.513 657 G N 3.597 112.517 108.800 0.200 0.000 2.485 657 G HA2 0.216 4.176 3.960 -0.000 0.000 0.260 657 G HA3 0.216 4.176 3.960 -0.000 0.000 0.260 657 G C -0.850 173.753 174.900 -0.494 0.000 1.459 657 G CA -0.332 44.647 45.100 -0.202 0.000 1.060 657 G HN 0.559 nan 8.290 nan 0.000 0.546 658 N N -2.156 116.275 118.700 -0.448 0.000 2.815 658 N HA 0.414 5.154 4.740 -0.000 0.000 0.253 658 N C -2.298 173.094 175.510 -0.197 0.000 1.202 658 N CA -0.551 52.313 53.050 -0.310 0.000 0.925 658 N CB 2.064 40.441 38.487 -0.183 0.000 1.622 658 N HN 0.546 nan 8.380 nan 0.000 0.497 659 L N 2.312 123.512 121.223 -0.038 0.000 2.592 659 L HA 0.623 4.963 4.340 -0.000 0.000 0.258 659 L C -1.680 175.349 176.870 0.265 0.000 0.926 659 L CA -0.474 54.439 54.840 0.122 0.000 0.885 659 L CB 1.664 43.832 42.059 0.181 0.000 1.380 659 L HN 0.670 nan 8.230 nan 0.000 0.415 660 N N 2.795 121.621 118.700 0.210 0.000 2.405 660 N HA 0.573 5.313 4.740 -0.000 0.000 0.285 660 N C -1.364 174.212 175.510 0.110 0.000 1.262 660 N CA -0.654 52.498 53.050 0.171 0.000 0.773 660 N CB 2.782 41.303 38.487 0.058 0.000 1.490 660 N HN 0.518 nan 8.380 nan 0.000 0.486 661 K N 0.540 120.959 120.400 0.030 0.000 2.316 661 K HA 0.564 4.884 4.320 -0.000 0.000 0.251 661 K C -1.095 175.451 176.600 -0.090 0.000 0.934 661 K CA -0.736 55.544 56.287 -0.011 0.000 0.802 661 K CB 2.275 34.788 32.500 0.021 0.000 1.171 661 K HN 0.199 nan 8.250 nan 0.000 0.426 662 V N 2.324 122.178 119.914 -0.101 0.000 2.384 662 V HA 0.330 4.449 4.120 -0.000 0.000 0.287 662 V C -0.289 175.718 176.094 -0.145 0.000 1.020 662 V CA -1.098 61.128 62.300 -0.123 0.000 0.850 662 V CB 1.193 32.965 31.823 -0.084 0.000 0.987 662 V HN 0.449 nan 8.190 nan 0.000 0.436 663 V N 5.100 124.888 119.914 -0.211 0.000 2.333 663 V HA 0.502 4.622 4.120 -0.000 0.000 0.274 663 V C -0.202 175.711 176.094 -0.302 0.000 1.028 663 V CA -0.507 61.633 62.300 -0.266 0.000 0.851 663 V CB 0.895 32.509 31.823 -0.348 0.000 1.000 663 V HN 0.708 nan 8.190 nan 0.000 0.456 664 L N 4.506 125.526 121.223 -0.339 0.000 2.277 664 L HA 0.451 4.790 4.340 -0.000 0.000 0.284 664 L C -0.464 175.936 176.870 -0.784 0.000 1.028 664 L CA -0.148 54.368 54.840 -0.539 0.000 0.835 664 L CB 1.283 43.065 42.059 -0.462 0.000 1.215 664 L HN 0.634 nan 8.230 nan 0.000 0.425 665 C N 4.064 122.910 119.300 -0.757 0.000 2.203 665 C HA 0.546 5.006 4.460 -0.000 0.000 0.325 665 C C 0.307 175.048 174.990 -0.415 0.000 1.156 665 C CA -0.646 57.906 59.018 -0.777 0.000 1.597 665 C CB -0.970 26.121 27.740 -1.083 0.000 2.148 665 C HN 0.459 nan 8.230 nan 0.000 0.472 666 F N 1.753 121.758 119.950 0.092 0.000 2.544 666 F HA 0.407 4.934 4.527 -0.000 0.000 0.378 666 F C 1.240 177.200 175.800 0.265 0.000 1.112 666 F CA -1.224 56.907 58.000 0.218 0.000 1.115 666 F CB 0.541 39.734 39.000 0.321 0.000 1.436 666 F HN 0.526 nan 8.300 nan 0.000 0.496 667 D N -1.544 119.119 120.400 0.439 0.000 2.398 667 D HA 0.173 4.813 4.640 -0.000 0.000 0.210 667 D C -0.440 175.957 176.300 0.161 0.000 1.094 667 D CA -0.236 53.923 54.000 0.264 0.000 0.839 667 D CB 0.187 41.097 40.800 0.183 0.000 0.963 667 D HN 0.454 nan 8.370 nan 0.000 0.506 668 R N -0.483 120.107 120.500 0.152 0.000 2.579 668 R HA 0.336 4.676 4.340 -0.000 0.000 0.260 668 R C -1.451 174.650 176.300 -0.331 0.000 1.103 668 R CA -0.953 55.127 56.100 -0.034 0.000 0.942 668 R CB 0.771 31.047 30.300 -0.041 0.000 1.251 668 R HN -0.146 nan 8.270 nan 0.000 0.450 669 V N 4.750 124.353 119.914 -0.519 0.000 2.456 669 V HA -0.072 4.048 4.120 -0.000 0.000 0.247 669 V C 0.885 176.323 176.094 -1.093 0.000 1.056 669 V CA 0.625 62.239 62.300 -1.143 0.000 1.203 669 V CB -1.601 29.843 31.823 -0.632 0.000 1.185 669 V HN 0.695 nan 8.190 nan 0.000 0.477 670 F N 2.270 121.472 119.950 -1.247 0.000 2.765 670 F HA 0.362 4.889 4.527 -0.000 0.000 0.302 670 F C 0.658 175.985 175.800 -0.789 0.000 1.111 670 F CA -1.742 55.809 58.000 -0.749 0.000 1.359 670 F CB -0.562 38.145 39.000 -0.489 0.000 1.097 670 F HN 0.406 nan 8.300 nan 0.000 0.577 671 W N 0.627 121.515 121.300 -0.687 0.000 2.415 671 W HA 0.439 5.099 4.660 -0.000 0.000 0.355 671 W C 0.002 176.359 176.519 -0.270 0.000 1.161 671 W CA -1.625 55.287 57.345 -0.722 0.000 1.315 671 W CB 0.051 29.215 29.460 -0.493 0.000 1.261 671 W HN -0.181 nan 8.180 nan 0.000 0.636 672 D N 2.579 123.035 120.400 0.093 0.000 2.472 672 D HA -0.020 4.620 4.640 -0.000 0.000 0.248 672 D C -1.179 175.271 176.300 0.249 0.000 1.174 672 D CA -1.459 52.623 54.000 0.136 0.000 0.883 672 D CB 1.261 42.173 40.800 0.186 0.000 1.149 672 D HN 0.185 nan 8.370 nan 0.000 0.488 673 P HA -0.012 nan 4.420 nan 0.000 0.245 673 P C 0.693 178.116 177.300 0.205 0.000 1.203 673 P CA 0.202 63.442 63.100 0.233 0.000 0.792 673 P CB 0.056 31.806 31.700 0.083 0.000 0.997 674 S N -1.117 114.675 115.700 0.154 0.000 2.803 674 S HA 0.182 4.652 4.470 -0.000 0.000 0.228 674 S C 0.432 175.126 174.600 0.156 0.000 0.953 674 S CA -0.309 57.972 58.200 0.134 0.000 0.983 674 S CB -0.927 62.332 63.200 0.097 0.000 0.784 674 S HN -0.095 nan 8.310 nan 0.000 0.498 675 V N 1.694 121.734 119.914 0.210 0.000 2.525 675 V HA 0.357 4.477 4.120 -0.000 0.000 0.299 675 V C -0.010 176.236 176.094 0.253 0.000 1.034 675 V CA -0.803 61.634 62.300 0.228 0.000 0.863 675 V CB 1.728 33.710 31.823 0.264 0.000 0.999 675 V HN 0.354 nan 8.190 nan 0.000 0.423 676 N N 3.814 122.630 118.700 0.194 0.000 2.336 676 N HA 0.270 5.010 4.740 -0.000 0.000 0.177 676 N C -0.007 175.568 175.510 0.108 0.000 1.018 676 N CA 0.611 53.770 53.050 0.182 0.000 0.878 676 N CB 0.327 38.928 38.487 0.189 0.000 0.997 676 N HN 0.650 nan 8.380 nan 0.000 0.433 677 L N -1.718 119.515 121.223 0.016 0.000 2.445 677 L HA 0.668 5.008 4.340 -0.000 0.000 0.262 677 L C -1.554 175.302 176.870 -0.024 0.000 0.974 677 L CA -1.256 53.445 54.840 -0.232 0.000 0.822 677 L CB 1.500 43.210 42.059 -0.582 0.000 1.339 677 L HN -0.110 nan 8.230 nan 0.000 0.409 678 F N -0.508 119.427 119.950 -0.025 0.000 2.588 678 F HA 0.958 5.485 4.527 -0.000 0.000 0.310 678 F C -0.116 175.718 175.800 0.057 0.000 1.082 678 F CA -0.847 57.175 58.000 0.036 0.000 0.929 678 F CB 1.767 40.895 39.000 0.214 0.000 1.254 678 F HN 0.656 nan 8.300 nan 0.000 0.455 679 G N 0.656 109.547 108.800 0.151 0.000 2.416 679 G HA2 0.366 4.326 3.960 -0.000 0.000 0.329 679 G HA3 0.366 4.326 3.960 -0.000 0.000 0.329 679 G C -1.988 173.030 174.900 0.197 0.000 1.173 679 G CA -0.697 44.476 45.100 0.122 0.000 0.929 679 G HN 1.089 nan 8.290 nan 0.000 0.475 680 H N 2.391 121.648 119.070 0.312 0.000 2.552 680 H HA 0.340 4.896 4.556 -0.000 0.000 0.311 680 H C -0.579 174.876 175.328 0.213 0.000 1.071 680 H CA -0.525 55.682 56.048 0.265 0.000 1.307 680 H CB 1.362 31.363 29.762 0.397 0.000 1.416 680 H HN 0.152 nan 8.280 nan 0.000 0.464 681 V N 5.702 125.363 119.914 -0.422 0.000 2.508 681 V HA 0.173 4.293 4.120 -0.000 0.000 0.281 681 V C 1.424 177.124 176.094 -0.657 0.000 1.041 681 V CA 0.192 62.261 62.300 -0.385 0.000 1.016 681 V CB 0.736 32.395 31.823 -0.273 0.000 0.984 681 V HN 0.909 nan 8.190 nan 0.000 0.478 682 G N 3.119 111.698 108.800 -0.369 0.000 2.563 682 G HA2 0.341 4.301 3.960 -0.000 0.000 0.283 682 G HA3 0.341 4.301 3.960 -0.000 0.000 0.283 682 G C 0.951 175.845 174.900 -0.010 0.000 1.309 682 G CA 0.091 45.102 45.100 -0.150 0.000 1.022 682 G HN 0.604 nan 8.290 nan 0.000 0.501 683 S N -1.341 114.404 115.700 0.076 0.000 2.336 683 S HA 0.040 4.510 4.470 -0.000 0.000 0.216 683 S C 1.652 176.276 174.600 0.039 0.000 1.032 683 S CA 1.539 59.775 58.200 0.060 0.000 0.973 683 S CB -0.184 63.061 63.200 0.076 0.000 0.888 683 S HN 0.724 nan 8.310 nan 0.000 0.455 684 T N -0.279 114.300 114.554 0.043 0.000 2.906 684 T HA 0.275 4.625 4.350 -0.000 0.000 0.283 684 T C 1.199 175.919 174.700 0.034 0.000 1.098 684 T CA -0.361 61.759 62.100 0.034 0.000 0.960 684 T CB 0.005 68.891 68.868 0.031 0.000 1.776 684 T HN 0.063 nan 8.240 nan 0.000 0.594 685 T N 0.763 115.336 114.554 0.031 0.000 3.004 685 T HA 0.247 4.597 4.350 -0.000 0.000 0.243 685 T C 2.047 176.755 174.700 0.012 0.000 1.020 685 T CA 0.555 62.674 62.100 0.033 0.000 1.145 685 T CB -0.553 68.334 68.868 0.033 0.000 0.876 685 T HN 0.556 nan 8.240 nan 0.000 0.449 686 A N 1.487 124.312 122.820 0.009 0.000 2.259 686 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 686 A C 1.821 179.405 177.584 0.000 0.000 1.178 686 A CA 1.506 53.542 52.037 -0.002 0.000 0.734 686 A CB -0.507 18.494 19.000 0.001 0.000 0.774 686 A HN 0.531 nan 8.150 nan 0.000 0.481 687 S N -1.557 114.151 115.700 0.013 0.000 2.993 687 S HA 0.085 4.555 4.470 -0.000 0.000 0.257 687 S C 1.248 175.869 174.600 0.034 0.000 0.997 687 S CA 0.132 58.348 58.200 0.026 0.000 1.191 687 S CB -0.379 62.852 63.200 0.052 0.000 1.143 687 S HN 0.706 nan 8.310 nan 0.000 0.655 688 R N 1.364 121.866 120.500 0.004 0.000 2.170 688 R HA -0.023 4.317 4.340 -0.000 0.000 0.242 688 R C 1.947 178.197 176.300 -0.084 0.000 1.145 688 R CA 1.731 57.822 56.100 -0.015 0.000 0.984 688 R CB -1.389 28.886 30.300 -0.041 0.000 0.869 688 R HN 0.380 nan 8.270 nan 0.000 0.455 689 G N 1.689 110.416 108.800 -0.123 0.000 2.604 689 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 689 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 689 G C 0.133 175.068 174.900 0.059 0.000 1.265 689 G CA 0.342 45.345 45.100 -0.163 0.000 0.804 689 G HN 0.510 nan 8.290 nan 0.000 0.579 690 E N 0.599 120.853 120.200 0.089 0.000 3.661 690 E HA -0.089 4.261 4.350 -0.000 0.000 0.262 690 E C 0.427 177.172 176.600 0.241 0.000 0.817 690 E CA -0.116 56.370 56.400 0.143 0.000 0.977 690 E CB -0.544 29.233 29.700 0.127 0.000 0.854 690 E HN 0.349 nan 8.360 nan 0.000 0.566 691 L N 3.573 124.892 121.223 0.161 0.000 3.851 691 L HA -0.298 4.042 4.340 -0.000 0.000 0.438 691 L C 0.948 177.928 176.870 0.184 0.000 1.171 691 L CA 0.371 55.244 54.840 0.056 0.000 0.895 691 L CB -1.962 40.146 42.059 0.082 0.000 1.800 691 L HN 0.595 nan 8.230 nan 0.000 0.960 692 F N -0.887 119.094 119.950 0.051 0.000 2.811 692 F HA 0.513 5.040 4.527 -0.000 0.000 0.301 692 F C 0.341 176.284 175.800 0.237 0.000 1.151 692 F CA -0.141 57.992 58.000 0.221 0.000 1.412 692 F CB 0.127 39.158 39.000 0.052 0.000 1.113 692 F HN 0.080 nan 8.300 nan 0.000 0.579 693 L N 0.127 120.830 121.223 -0.867 0.000 2.505 693 L HA 0.584 4.924 4.340 -0.000 0.000 0.259 693 L C -1.976 174.248 176.870 -1.078 0.000 0.952 693 L CA -1.026 53.211 54.840 -1.004 0.000 0.840 693 L CB 1.896 42.962 42.059 -1.655 0.000 1.358 693 L HN -0.023 nan 8.230 nan 0.000 0.409 694 F N 2.540 121.969 119.950 -0.867 0.000 2.540 694 F HA 0.565 5.092 4.527 -0.000 0.000 0.317 694 F C -1.191 174.086 175.800 -0.872 0.000 1.104 694 F CA -0.099 57.373 58.000 -0.880 0.000 0.913 694 F CB 1.847 40.092 39.000 -1.259 0.000 1.170 694 F HN 0.355 nan 8.300 nan 0.000 0.450 695 W N 2.686 123.797 121.300 -0.314 0.000 2.411 695 W HA 0.365 5.025 4.660 0.000 0.000 0.317 695 W C -0.377 176.046 176.519 -0.159 0.000 1.030 695 W CA -0.696 56.532 57.345 -0.195 0.000 1.239 695 W CB 1.319 30.720 29.460 -0.098 0.000 1.304 695 W HN 0.328 nan 8.180 nan 0.000 0.437 696 N N 4.134 122.882 118.700 0.080 0.000 2.527 696 N HA 0.331 5.070 4.740 -0.000 0.000 0.236 696 N C -0.366 175.276 175.510 0.220 0.000 0.999 696 N CA 0.029 53.115 53.050 0.060 0.000 0.935 696 N CB 0.571 39.078 38.487 0.034 0.000 1.132 696 N HN 0.581 nan 8.380 nan 0.000 0.511 697 L N 1.913 123.309 121.223 0.288 0.000 2.766 697 L HA 0.347 4.687 4.340 -0.000 0.000 0.241 697 L C -0.190 176.674 176.870 -0.010 0.000 1.080 697 L CA -0.130 54.775 54.840 0.108 0.000 0.909 697 L CB 0.013 42.014 42.059 -0.098 0.000 1.277 697 L HN 0.394 nan 8.230 nan 0.000 0.510 698 Y N -0.114 120.256 120.300 0.116 0.000 2.496 698 Y HA 0.217 4.767 4.550 -0.000 0.000 0.325 698 Y C 1.416 177.393 175.900 0.129 0.000 1.271 698 Y CA -0.386 57.780 58.100 0.110 0.000 1.368 698 Y CB 0.726 39.252 38.460 0.110 0.000 1.415 698 Y HN -0.252 nan 8.280 nan 0.000 0.527 699 K N 0.562 121.132 120.400 0.284 0.000 1.980 699 K HA 0.082 4.402 4.320 -0.000 0.000 0.208 699 K C 1.035 177.763 176.600 0.213 0.000 1.043 699 K CA 0.833 57.237 56.287 0.194 0.000 0.938 699 K CB -0.364 32.218 32.500 0.137 0.000 0.724 699 K HN 0.758 nan 8.250 nan 0.000 0.438 700 A N 1.802 124.763 122.820 0.235 0.000 2.264 700 A HA 0.013 4.333 4.320 -0.000 0.000 0.291 700 A C -2.115 175.655 177.584 0.309 0.000 1.253 700 A CA -0.088 52.097 52.037 0.248 0.000 0.865 700 A CB -0.683 18.493 19.000 0.294 0.000 1.129 700 A HN 0.211 nan 8.150 nan 0.000 0.513 701 P HA 0.574 nan 4.420 nan 0.000 0.212 701 P C -1.266 176.307 177.300 0.453 0.000 1.860 701 P CA 0.294 63.663 63.100 0.448 0.000 1.135 701 P CB 0.122 32.019 31.700 0.328 0.000 1.801 702 I N 2.424 123.185 120.570 0.319 0.000 2.533 702 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 702 I C -0.519 175.490 176.117 -0.179 0.000 1.056 702 I CA -0.960 60.319 61.300 -0.035 0.000 1.057 702 I CB 2.420 40.332 38.000 -0.147 0.000 1.240 702 I HN -0.025 nan 8.210 nan 0.000 0.423 703 L N 6.877 127.890 121.223 -0.350 0.000 2.329 703 L HA 0.549 4.889 4.340 -0.000 0.000 0.279 703 L C -0.925 175.868 176.870 -0.129 0.000 1.014 703 L CA -0.827 53.816 54.840 -0.329 0.000 0.814 703 L CB 1.974 43.776 42.059 -0.428 0.000 1.257 703 L HN 0.422 nan 8.230 nan 0.000 0.424 704 L N 3.007 124.229 121.223 -0.001 0.000 2.282 704 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 704 L C 0.011 176.846 176.870 -0.058 0.000 1.033 704 L CA -0.353 54.511 54.840 0.039 0.000 0.807 704 L CB 1.721 43.864 42.059 0.139 0.000 1.209 704 L HN 0.662 nan 8.230 nan 0.000 0.423 705 A N 4.820 127.537 122.820 -0.172 0.000 2.303 705 A HA 0.640 4.960 4.320 -0.000 0.000 0.320 705 A C -1.004 176.406 177.584 -0.290 0.000 1.192 705 A CA -0.534 51.214 52.037 -0.481 0.000 0.821 705 A CB 0.976 19.757 19.000 -0.366 0.000 1.188 705 A HN 0.471 nan 8.150 nan 0.000 0.492 706 L N 3.523 124.521 121.223 -0.374 0.000 2.255 706 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 706 L C -0.123 176.759 176.870 0.020 0.000 1.046 706 L CA -0.117 54.643 54.840 -0.133 0.000 0.816 706 L CB 1.276 43.181 42.059 -0.256 0.000 1.197 706 L HN 0.444 nan 8.230 nan 0.000 0.427 707 V N 5.325 125.278 119.914 0.064 0.000 2.313 707 V HA 0.496 4.616 4.120 -0.000 0.000 0.252 707 V C 0.925 177.088 176.094 0.115 0.000 1.112 707 V CA -0.289 62.065 62.300 0.091 0.000 0.984 707 V CB -0.084 31.765 31.823 0.043 0.000 1.157 707 V HN 0.888 nan 8.190 nan 0.000 0.493 708 A N 4.102 126.994 122.820 0.121 0.000 2.896 708 A HA 0.880 5.200 4.320 -0.000 0.000 0.232 708 A C 1.463 179.003 177.584 -0.074 0.000 1.809 708 A CA 0.281 52.341 52.037 0.039 0.000 0.855 708 A CB -0.821 18.108 19.000 -0.119 0.000 1.773 708 A HN 1.243 nan 8.150 nan 0.000 0.644 709 G N -0.857 107.855 108.800 -0.147 0.000 2.512 709 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.936 709 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.936 709 G C 0.842 175.670 174.900 -0.121 0.000 1.344 709 G CA 0.951 45.955 45.100 -0.159 0.000 0.883 709 G HN 0.699 nan 8.290 nan 0.000 0.560 710 E N 0.265 120.398 120.200 -0.112 0.000 2.153 710 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 710 E C 3.052 179.615 176.600 -0.060 0.000 0.988 710 E CA 1.372 57.720 56.400 -0.087 0.000 0.811 710 E CB -0.695 28.959 29.700 -0.077 0.000 0.746 710 E HN 0.603 nan 8.360 nan 0.000 0.466 711 A N 1.744 124.534 122.820 -0.050 0.000 1.903 711 A HA -0.270 4.049 4.320 -0.000 0.000 0.219 711 A C 2.471 180.045 177.584 -0.017 0.000 1.191 711 A CA 2.581 54.604 52.037 -0.023 0.000 0.638 711 A CB -0.797 18.198 19.000 -0.009 0.000 0.823 711 A HN 0.311 nan 8.150 nan 0.000 0.451 712 A N -0.736 122.071 122.820 -0.021 0.000 1.892 712 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 712 A C 2.487 180.061 177.584 -0.017 0.000 1.188 712 A CA 2.234 54.265 52.037 -0.009 0.000 0.631 712 A CB -1.554 17.441 19.000 -0.009 0.000 0.822 712 A HN 0.968 nan 8.150 nan 0.000 0.447 713 G N -0.176 108.605 108.800 -0.032 0.000 2.448 713 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 713 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 713 G C 1.408 176.294 174.900 -0.024 0.000 1.127 713 G CA 1.218 46.299 45.100 -0.031 0.000 0.766 713 G HN 0.606 nan 8.290 nan 0.000 0.552 714 I N -0.812 119.746 120.570 -0.020 0.000 2.512 714 I HA 0.036 4.206 4.170 -0.000 0.000 0.247 714 I C 2.582 178.691 176.117 -0.013 0.000 1.094 714 I CA 0.241 61.532 61.300 -0.016 0.000 1.427 714 I CB -0.558 37.434 38.000 -0.013 0.000 1.149 714 I HN -0.045 nan 8.210 nan 0.000 0.438 715 M N 1.382 120.976 119.600 -0.009 0.000 2.252 715 M HA -0.225 4.255 4.480 -0.000 0.000 0.257 715 M C 1.917 178.205 176.300 -0.020 0.000 1.077 715 M CA 1.659 56.954 55.300 -0.009 0.000 1.066 715 M CB -1.215 31.383 32.600 -0.003 0.000 1.380 715 M HN 0.365 nan 8.290 nan 0.000 0.412 716 E N -0.255 119.931 120.200 -0.023 0.000 2.333 716 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 716 E C 1.381 177.961 176.600 -0.033 0.000 1.007 716 E CA 0.608 56.988 56.400 -0.033 0.000 0.845 716 E CB -0.119 29.563 29.700 -0.030 0.000 0.766 716 E HN 0.558 nan 8.360 nan 0.000 0.507 717 N N 0.214 118.899 118.700 -0.025 0.000 2.415 717 N HA 0.071 4.810 4.740 -0.000 0.000 0.174 717 N C 0.586 176.084 175.510 -0.020 0.000 1.048 717 N CA 0.114 53.151 53.050 -0.023 0.000 0.895 717 N CB 0.431 38.907 38.487 -0.019 0.000 1.036 717 N HN 0.082 nan 8.380 nan 0.000 0.449 718 I N 2.033 122.592 120.570 -0.017 0.000 2.668 718 I HA -0.097 4.073 4.170 -0.000 0.000 0.285 718 I C 1.224 177.328 176.117 -0.021 0.000 1.168 718 I CA -0.131 61.161 61.300 -0.014 0.000 1.424 718 I CB 0.336 38.331 38.000 -0.009 0.000 1.377 718 I HN 0.080 nan 8.210 nan 0.000 0.560 719 S N 4.519 120.208 115.700 -0.019 0.000 2.572 719 S HA -0.054 4.416 4.470 -0.000 0.000 0.262 719 S C 0.864 175.450 174.600 -0.024 0.000 1.375 719 S CA -0.193 57.994 58.200 -0.023 0.000 0.996 719 S CB 0.811 64.001 63.200 -0.017 0.000 0.892 719 S HN 0.629 nan 8.310 nan 0.000 0.562 720 D N 0.899 121.281 120.400 -0.030 0.000 2.091 720 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 720 D C 1.615 177.904 176.300 -0.019 0.000 0.980 720 D CA 1.397 55.375 54.000 -0.036 0.000 0.831 720 D CB -0.602 40.169 40.800 -0.049 0.000 0.987 720 D HN 0.655 nan 8.370 nan 0.000 0.460 721 D N 0.862 121.256 120.400 -0.010 0.000 2.230 721 D HA -0.177 4.463 4.640 -0.000 0.000 0.189 721 D C 2.310 178.617 176.300 0.011 0.000 1.006 721 D CA 1.264 55.266 54.000 0.004 0.000 0.853 721 D CB -0.617 40.185 40.800 0.004 0.000 0.959 721 D HN 0.087 nan 8.370 nan 0.000 0.449 722 V N 1.260 121.179 119.914 0.007 0.000 2.370 722 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 722 V C 2.557 178.662 176.094 0.018 0.000 1.068 722 V CA 1.417 63.724 62.300 0.012 0.000 1.061 722 V CB -0.497 31.330 31.823 0.007 0.000 0.656 722 V HN 0.202 nan 8.190 nan 0.000 0.455 723 I N -0.237 120.340 120.570 0.012 0.000 2.406 723 I HA -0.124 4.046 4.170 -0.000 0.000 0.249 723 I C 2.246 178.385 176.117 0.036 0.000 1.122 723 I CA 0.913 62.223 61.300 0.016 0.000 1.431 723 I CB -0.237 37.760 38.000 -0.006 0.000 1.087 723 I HN 0.181 nan 8.210 nan 0.000 0.424 724 V N 0.802 120.735 119.914 0.032 0.000 2.427 724 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 724 V C 2.578 178.720 176.094 0.079 0.000 1.051 724 V CA 1.694 64.030 62.300 0.060 0.000 1.048 724 V CB -1.971 29.880 31.823 0.047 0.000 0.666 724 V HN 0.522 nan 8.190 nan 0.000 0.456 725 G N 1.943 110.775 108.800 0.054 0.000 2.812 725 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 725 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 725 G C 1.518 176.451 174.900 0.055 0.000 1.287 725 G CA 1.478 46.606 45.100 0.047 0.000 0.796 725 G HN 0.572 nan 8.290 nan 0.000 0.649 726 R N -0.584 119.947 120.500 0.052 0.000 2.341 726 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 726 R C 2.334 178.682 176.300 0.080 0.000 1.082 726 R CA 0.690 56.821 56.100 0.051 0.000 1.017 726 R CB -0.801 29.529 30.300 0.049 0.000 0.860 726 R HN 0.382 nan 8.270 nan 0.000 0.473 727 C N 0.796 120.168 119.300 0.120 0.000 2.544 727 C HA 0.100 4.560 4.460 -0.000 0.000 0.280 727 C C 2.554 177.659 174.990 0.191 0.000 1.295 727 C CA 0.217 59.362 59.018 0.211 0.000 1.702 727 C CB -0.710 27.162 27.740 0.219 0.000 2.090 727 C HN 0.428 nan 8.230 nan 0.000 0.493 728 L N 1.281 122.598 121.223 0.157 0.000 1.955 728 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 728 L C 2.862 179.758 176.870 0.042 0.000 1.072 728 L CA 1.794 56.705 54.840 0.118 0.000 0.755 728 L CB -1.200 40.913 42.059 0.091 0.000 0.888 728 L HN 0.397 nan 8.230 nan 0.000 0.432 729 A N 1.033 123.868 122.820 0.025 0.000 1.906 729 A HA -0.339 3.981 4.320 -0.000 0.000 0.236 729 A C 2.147 179.709 177.584 -0.036 0.000 1.793 729 A CA 2.833 54.866 52.037 -0.007 0.000 0.813 729 A CB -1.290 17.711 19.000 0.002 0.000 0.841 729 A HN 0.433 nan 8.150 nan 0.000 0.491 730 I N -0.702 119.840 120.570 -0.047 0.000 2.151 730 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 730 I C 2.605 178.643 176.117 -0.131 0.000 1.080 730 I CA 1.786 63.011 61.300 -0.125 0.000 1.339 730 I CB -0.913 36.968 38.000 -0.199 0.000 1.039 730 I HN 0.372 nan 8.210 nan 0.000 0.409 731 L N 0.637 121.812 121.223 -0.080 0.000 1.994 731 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 731 L C 2.743 179.591 176.870 -0.037 0.000 1.071 731 L CA 1.615 56.444 54.840 -0.019 0.000 0.745 731 L CB -0.542 41.629 42.059 0.188 0.000 0.892 731 L HN 0.206 nan 8.230 nan 0.000 0.431 732 K N -0.044 120.316 120.400 -0.066 0.000 1.988 732 K HA -0.236 4.084 4.320 -0.000 0.000 0.221 732 K C 2.023 178.537 176.600 -0.142 0.000 1.053 732 K CA 1.704 57.923 56.287 -0.113 0.000 0.959 732 K CB -0.960 31.481 32.500 -0.099 0.000 0.728 732 K HN 0.440 nan 8.250 nan 0.000 0.447 733 G N 1.195 109.914 108.800 -0.135 0.000 2.681 733 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.224 733 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.224 733 G C 1.359 176.100 174.900 -0.265 0.000 1.100 733 G CA 1.678 46.687 45.100 -0.153 0.000 0.743 733 G HN 0.184 nan 8.290 nan 0.000 0.612 734 I N -1.621 118.682 120.570 -0.445 0.000 2.867 734 I HA 0.273 4.443 4.170 -0.000 0.000 0.265 734 I C 1.524 177.108 176.117 -0.888 0.000 1.162 734 I CA 0.427 61.199 61.300 -0.880 0.000 1.471 734 I CB 0.009 37.125 38.000 -1.473 0.000 1.123 734 I HN 0.089 nan 8.210 nan 0.000 0.440 735 F N 0.258 120.043 119.950 -0.275 0.000 2.724 735 F HA 0.592 5.119 4.527 -0.000 0.000 0.306 735 F C 1.020 176.696 175.800 -0.206 0.000 1.100 735 F CA -0.135 57.732 58.000 -0.223 0.000 1.255 735 F CB 0.155 39.067 39.000 -0.147 0.000 1.072 735 F HN -0.040 nan 8.300 nan 0.000 0.589 736 G N 0.064 108.826 108.800 -0.064 0.000 3.014 736 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.683 736 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.683 736 G C 0.335 175.159 174.900 -0.127 0.000 1.271 736 G CA -0.389 44.656 45.100 -0.090 0.000 0.843 736 G HN -0.043 nan 8.290 nan 0.000 0.612 737 S N -0.156 115.477 115.700 -0.111 0.000 2.641 737 S HA 0.190 4.660 4.470 -0.000 0.000 0.239 737 S C 1.718 176.240 174.600 -0.130 0.000 0.972 737 S CA 1.915 60.048 58.200 -0.112 0.000 0.954 737 S CB -0.364 62.787 63.200 -0.083 0.000 0.767 737 S HN 2.156 nan 8.310 nan 0.000 0.539 738 S N -2.005 113.600 115.700 -0.158 0.000 2.933 738 S HA 0.361 4.831 4.470 -0.000 0.000 0.236 738 S C 0.778 175.251 174.600 -0.212 0.000 0.836 738 S CA 0.103 58.201 58.200 -0.171 0.000 1.298 738 S CB -0.460 62.670 63.200 -0.117 0.000 1.243 738 S HN 0.354 nan 8.310 nan 0.000 0.607 739 A N 0.924 123.586 122.820 -0.264 0.000 2.206 739 A HA 0.547 4.867 4.320 -0.000 0.000 0.211 739 A C 0.671 177.837 177.584 -0.697 0.000 1.158 739 A CA 0.658 52.482 52.037 -0.355 0.000 0.761 739 A CB -0.063 18.773 19.000 -0.273 0.000 0.801 739 A HN 0.642 nan 8.150 nan 0.000 0.473 740 V N 2.644 122.137 119.914 -0.701 0.000 2.289 740 V HA 0.236 4.356 4.120 -0.000 0.000 0.272 740 V C -2.387 173.377 176.094 -0.552 0.000 1.026 740 V CA -1.682 60.044 62.300 -0.957 0.000 0.807 740 V CB 0.833 32.205 31.823 -0.751 0.000 1.044 740 V HN 0.218 nan 8.190 nan 0.000 0.443 741 P HA 0.059 nan 4.420 nan 0.000 0.270 741 P C 0.074 177.224 177.300 -0.250 0.000 1.221 741 P CA -0.121 62.806 63.100 -0.289 0.000 0.788 741 P CB 0.496 32.071 31.700 -0.207 0.000 0.904 742 Q N 1.435 121.194 119.800 -0.067 0.000 2.432 742 Q HA 0.108 4.448 4.340 -0.000 0.000 0.264 742 Q C -1.933 174.207 176.000 0.232 0.000 1.035 742 Q CA -0.931 54.909 55.803 0.062 0.000 0.908 742 Q CB -0.417 28.363 28.738 0.070 0.000 1.280 742 Q HN 0.349 nan 8.270 nan 0.000 0.455 743 P HA 0.117 nan 4.420 nan 0.000 0.287 743 P C 0.183 177.643 177.300 0.267 0.000 1.281 743 P CA -0.286 63.164 63.100 0.583 0.000 0.781 743 P CB 1.003 32.943 31.700 0.400 0.000 0.903 744 K N 1.679 122.234 120.400 0.260 0.000 1.991 744 K HA -0.056 4.264 4.320 -0.000 0.000 0.212 744 K C 0.706 177.380 176.600 0.124 0.000 1.049 744 K CA 1.545 57.950 56.287 0.196 0.000 0.932 744 K CB 0.080 32.752 32.500 0.287 0.000 0.717 744 K HN 0.555 nan 8.250 nan 0.000 0.441 745 E N 0.911 121.122 120.200 0.017 0.000 2.199 745 E HA 0.246 4.596 4.350 -0.000 0.000 0.269 745 E C -0.601 175.913 176.600 -0.143 0.000 0.899 745 E CA -0.302 56.084 56.400 -0.023 0.000 0.772 745 E CB 2.121 31.845 29.700 0.040 0.000 1.155 745 E HN 0.213 nan 8.360 nan 0.000 0.408 746 T N -1.592 112.890 114.554 -0.120 0.000 2.912 746 T HA 0.740 5.090 4.350 -0.000 0.000 0.299 746 T C -0.144 174.383 174.700 -0.288 0.000 1.052 746 T CA -0.832 61.146 62.100 -0.203 0.000 0.996 746 T CB 1.243 70.037 68.868 -0.124 0.000 1.070 746 T HN 0.190 nan 8.240 nan 0.000 0.465 747 V N -0.565 119.107 119.914 -0.402 0.000 3.007 747 V HA 0.934 5.054 4.120 -0.000 0.000 0.311 747 V C -0.861 175.051 176.094 -0.303 0.000 1.120 747 V CA -1.069 60.986 62.300 -0.409 0.000 0.980 747 V CB 1.857 33.294 31.823 -0.643 0.000 1.033 747 V HN 0.865 nan 8.190 nan 0.000 0.429 748 V N 2.319 122.079 119.914 -0.257 0.000 2.483 748 V HA 0.539 4.659 4.120 -0.000 0.000 0.297 748 V C 0.312 176.249 176.094 -0.260 0.000 1.027 748 V CA -0.108 62.065 62.300 -0.212 0.000 0.855 748 V CB 2.296 34.030 31.823 -0.148 0.000 0.995 748 V HN 1.205 nan 8.190 nan 0.000 0.424 749 S N 5.707 121.231 115.700 -0.294 0.000 2.481 749 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 749 S C 0.001 174.362 174.600 -0.398 0.000 1.247 749 S CA -0.492 57.422 58.200 -0.477 0.000 1.053 749 S CB 0.273 63.164 63.200 -0.516 0.000 0.925 749 S HN 0.673 nan 8.310 nan 0.000 0.491 750 R N 2.881 123.135 120.500 -0.411 0.000 2.664 750 R HA 0.225 4.565 4.340 -0.000 0.000 0.281 750 R C -0.014 176.206 176.300 -0.134 0.000 1.383 750 R CA -0.391 55.580 56.100 -0.215 0.000 1.563 750 R CB 0.168 30.381 30.300 -0.145 0.000 1.131 750 R HN 0.879 nan 8.270 nan 0.000 0.599 751 W N 0.838 122.118 121.300 -0.033 0.000 2.309 751 W HA -0.229 4.431 4.660 -0.000 0.000 0.326 751 W C 2.289 178.776 176.519 -0.053 0.000 1.222 751 W CA 0.589 57.914 57.345 -0.032 0.000 1.237 751 W CB -0.121 29.316 29.460 -0.039 0.000 1.180 751 W HN 0.359 nan 8.180 nan 0.000 0.456 752 R N 0.842 121.448 120.500 0.177 0.000 2.228 752 R HA -0.254 4.086 4.340 -0.000 0.000 0.259 752 R C 1.863 178.188 176.300 0.042 0.000 1.183 752 R CA 1.999 58.131 56.100 0.054 0.000 1.002 752 R CB -0.731 29.566 30.300 -0.005 0.000 0.879 752 R HN 0.194 nan 8.270 nan 0.000 0.467 753 A N -0.344 122.493 122.820 0.029 0.000 2.119 753 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 753 A C 0.434 177.999 177.584 -0.031 0.000 1.152 753 A CA 0.518 52.545 52.037 -0.017 0.000 0.708 753 A CB -0.190 18.784 19.000 -0.043 0.000 0.805 753 A HN 0.334 nan 8.150 nan 0.000 0.460 754 D N 0.788 121.210 120.400 0.037 0.000 2.342 754 D HA 0.132 4.772 4.640 -0.000 0.000 0.260 754 D C -1.571 174.695 176.300 -0.057 0.000 1.278 754 D CA -2.067 51.953 54.000 0.034 0.000 0.910 754 D CB 1.073 42.032 40.800 0.264 0.000 1.079 754 D HN 0.149 nan 8.370 nan 0.000 0.496 755 P HA -0.052 nan 4.420 nan 0.000 0.242 755 P C -0.054 177.003 177.300 -0.404 0.000 1.198 755 P CA 0.587 63.392 63.100 -0.491 0.000 0.756 755 P CB -0.347 30.848 31.700 -0.840 0.000 0.911 756 W N -1.308 120.054 121.300 0.104 0.000 2.300 756 W HA 0.641 5.301 4.660 -0.000 0.000 0.366 756 W C 0.926 177.530 176.519 0.142 0.000 0.913 756 W CA -0.304 57.100 57.345 0.099 0.000 2.200 756 W CB 0.675 30.190 29.460 0.093 0.000 1.182 756 W HN -0.067 nan 8.180 nan 0.000 0.586 757 A N -0.315 122.707 122.820 0.337 0.000 2.233 757 A HA 0.142 4.461 4.320 -0.000 0.000 0.163 757 A C 1.366 179.156 177.584 0.344 0.000 1.845 757 A CA -0.380 51.853 52.037 0.326 0.000 1.390 757 A CB 0.032 19.218 19.000 0.309 0.000 1.601 757 A HN 0.072 nan 8.150 nan 0.000 0.398 758 R N 0.235 120.872 120.500 0.228 0.000 3.314 758 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 758 R C 0.617 176.984 176.300 0.112 0.000 0.954 758 R CA 1.065 57.267 56.100 0.170 0.000 0.645 758 R CB -2.233 28.168 30.300 0.168 0.000 1.022 758 R HN 1.758 nan 8.270 nan 0.000 0.468 759 G N -2.454 106.314 108.800 -0.053 0.000 2.361 759 G HA2 0.055 4.015 3.960 -0.000 0.000 0.305 759 G HA3 0.055 4.015 3.960 -0.000 0.000 0.305 759 G C 0.214 174.697 174.900 -0.695 0.000 1.367 759 G CA -0.043 44.710 45.100 -0.578 0.000 0.951 759 G HN 0.170 nan 8.290 nan 0.000 0.615 760 S N -1.328 113.856 115.700 -0.860 0.000 2.510 760 S HA 0.546 5.016 4.470 -0.000 0.000 0.230 760 S C 0.428 174.903 174.600 -0.210 0.000 1.066 760 S CA 1.662 59.533 58.200 -0.549 0.000 0.941 760 S CB 0.125 63.094 63.200 -0.386 0.000 0.829 760 S HN 2.246 nan 8.310 nan 0.000 0.530 761 Y N 0.736 120.802 120.300 -0.390 0.000 2.243 761 Y HA 0.545 5.095 4.550 -0.000 0.000 0.315 761 Y C -0.475 175.693 175.900 0.446 0.000 1.286 761 Y CA -1.065 57.216 58.100 0.303 0.000 1.230 761 Y CB -0.195 38.321 38.460 0.094 0.000 1.295 761 Y HN 0.408 nan 8.280 nan 0.000 0.401 762 S N 3.018 119.296 115.700 0.963 0.000 3.188 762 S HA -0.081 4.389 4.470 -0.000 0.000 0.386 762 S C -0.625 174.287 174.600 0.520 0.000 1.172 762 S CA 1.281 59.841 58.200 0.599 0.000 0.925 762 S CB -0.653 62.810 63.200 0.440 0.000 0.620 762 S HN 1.641 nan 8.310 nan 0.000 0.450 763 Y N -0.326 120.124 120.300 0.250 0.000 2.615 763 Y HA 0.700 5.250 4.550 -0.000 0.000 0.341 763 Y C -0.634 175.382 175.900 0.193 0.000 1.089 763 Y CA -1.811 56.417 58.100 0.214 0.000 1.049 763 Y CB 0.863 39.391 38.460 0.113 0.000 1.296 763 Y HN 0.407 nan 8.280 nan 0.000 0.470 764 V N 3.128 123.182 119.914 0.234 0.000 2.397 764 V HA 0.428 4.548 4.120 -0.000 0.000 0.262 764 V C 0.932 177.039 176.094 0.021 0.000 1.047 764 V CA 0.067 62.411 62.300 0.073 0.000 1.003 764 V CB -0.724 31.227 31.823 0.214 0.000 1.037 764 V HN 0.988 nan 8.190 nan 0.000 0.480 765 A N 5.023 127.698 122.820 -0.241 0.000 2.245 765 A HA 0.682 5.002 4.320 -0.000 0.000 0.279 765 A C 0.787 178.387 177.584 0.028 0.000 1.290 765 A CA 0.400 52.356 52.037 -0.134 0.000 0.819 765 A CB 0.061 18.924 19.000 -0.230 0.000 1.173 765 A HN 1.231 nan 8.150 nan 0.000 0.508 766 A N -2.145 120.693 122.820 0.030 0.000 2.306 766 A HA 0.571 4.890 4.320 -0.000 0.000 0.314 766 A C 1.057 178.632 177.584 -0.014 0.000 1.164 766 A CA 0.227 52.270 52.037 0.011 0.000 0.822 766 A CB -0.246 18.751 19.000 -0.004 0.000 1.130 766 A HN 2.711 nan 8.150 nan 0.000 0.496 767 G N 0.760 109.553 108.800 -0.011 0.000 2.338 767 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.296 767 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.296 767 G C 0.195 175.087 174.900 -0.013 0.000 1.040 767 G CA 0.795 45.890 45.100 -0.008 0.000 1.004 767 G HN 1.265 nan 8.290 nan 0.000 0.509 768 S N -1.431 114.274 115.700 0.009 0.000 2.732 768 S HA 0.954 5.424 4.470 -0.000 0.000 0.293 768 S C 0.055 174.679 174.600 0.040 0.000 1.159 768 S CA 0.582 58.757 58.200 -0.042 0.000 0.847 768 S CB 2.000 65.121 63.200 -0.132 0.000 1.169 768 S HN 1.840 nan 8.310 nan 0.000 0.501 769 S N -0.620 115.025 115.700 -0.092 0.000 2.661 769 S HA 0.585 5.055 4.470 -0.000 0.000 0.268 769 S C 1.096 175.563 174.600 -0.222 0.000 1.162 769 S CA -0.274 57.823 58.200 -0.172 0.000 0.817 769 S CB 0.427 63.383 63.200 -0.406 0.000 1.141 769 S HN 1.060 nan 8.310 nan 0.000 0.477 770 G N 1.947 110.647 108.800 -0.166 0.000 2.681 770 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.220 770 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.220 770 G C 1.219 176.119 174.900 -0.000 0.000 1.210 770 G CA 1.445 46.560 45.100 0.024 0.000 0.783 770 G HN 0.890 nan 8.290 nan 0.000 0.609 771 N N 0.728 119.387 118.700 -0.069 0.000 2.202 771 N HA -0.180 4.560 4.740 -0.000 0.000 0.197 771 N C 1.572 177.062 175.510 -0.033 0.000 0.995 771 N CA 1.708 54.736 53.050 -0.036 0.000 0.894 771 N CB -0.300 38.156 38.487 -0.052 0.000 1.010 771 N HN 0.353 nan 8.380 nan 0.000 0.453 772 D N -1.059 119.258 120.400 -0.139 0.000 2.277 772 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 772 D C 1.347 177.574 176.300 -0.121 0.000 0.962 772 D CA 0.437 54.336 54.000 -0.169 0.000 0.865 772 D CB 0.063 40.683 40.800 -0.300 0.000 0.939 772 D HN 0.340 nan 8.370 nan 0.000 0.510 773 Y N 2.036 122.335 120.300 -0.001 0.000 2.092 773 Y HA -0.172 4.378 4.550 -0.000 0.000 0.282 773 Y C 2.142 178.060 175.900 0.030 0.000 1.126 773 Y CA 0.718 58.826 58.100 0.012 0.000 1.111 773 Y CB -0.863 37.604 38.460 0.012 0.000 0.987 773 Y HN -0.107 nan 8.280 nan 0.000 0.489 774 D N 0.244 120.773 120.400 0.215 0.000 2.412 774 D HA -0.283 4.357 4.640 -0.000 0.000 0.191 774 D C 2.302 178.691 176.300 0.149 0.000 1.019 774 D CA 1.944 56.027 54.000 0.138 0.000 0.866 774 D CB -0.995 39.862 40.800 0.095 0.000 0.966 774 D HN 0.262 nan 8.370 nan 0.000 0.459 775 L N -0.279 121.028 121.223 0.140 0.000 2.129 775 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 775 L C 2.512 179.497 176.870 0.191 0.000 1.087 775 L CA 0.948 55.914 54.840 0.210 0.000 0.757 775 L CB -0.185 41.974 42.059 0.167 0.000 0.896 775 L HN 0.115 nan 8.230 nan 0.000 0.434 776 M N -1.469 118.194 119.600 0.105 0.000 2.200 776 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 776 M C 2.539 178.908 176.300 0.115 0.000 1.066 776 M CA 1.685 56.996 55.300 0.019 0.000 1.127 776 M CB -1.292 31.356 32.600 0.079 0.000 1.379 776 M HN 0.293 nan 8.290 nan 0.000 0.420 777 A N -0.330 122.595 122.820 0.175 0.000 1.902 777 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 777 A C 1.348 179.094 177.584 0.270 0.000 1.181 777 A CA 0.630 52.791 52.037 0.207 0.000 0.623 777 A CB -0.733 18.351 19.000 0.140 0.000 0.818 777 A HN 0.474 nan 8.150 nan 0.000 0.443 778 Q N 0.493 120.456 119.800 0.271 0.000 2.549 778 Q HA 0.077 4.417 4.340 -0.000 0.000 0.347 778 Q C -2.358 173.844 176.000 0.336 0.000 1.081 778 Q CA -0.360 55.615 55.803 0.287 0.000 1.093 778 Q CB 0.355 29.338 28.738 0.409 0.000 1.067 778 Q HN 0.351 nan 8.270 nan 0.000 0.398 779 P HA 0.324 nan 4.420 nan 0.000 0.284 779 P C -1.054 176.202 177.300 -0.073 0.000 1.292 779 P CA -0.580 62.399 63.100 -0.202 0.000 0.800 779 P CB 0.782 32.087 31.700 -0.659 0.000 1.188 780 I N 0.172 120.605 120.570 -0.228 0.000 2.389 780 I HA 0.279 4.449 4.170 -0.000 0.000 0.288 780 I C -0.108 176.006 176.117 -0.005 0.000 0.999 780 I CA -0.477 60.824 61.300 0.002 0.000 1.129 780 I CB 0.708 38.685 38.000 -0.039 0.000 1.288 780 I HN 0.156 nan 8.210 nan 0.000 0.444 781 T N 7.859 122.453 114.554 0.066 0.000 2.743 781 T HA 0.440 4.790 4.350 -0.000 0.000 0.292 781 T C -2.070 172.682 174.700 0.087 0.000 0.972 781 T CA -1.090 61.043 62.100 0.056 0.000 0.967 781 T CB 1.044 69.922 68.868 0.016 0.000 0.926 781 T HN 0.361 nan 8.240 nan 0.000 0.459 782 P HA 0.258 nan 4.420 nan 0.000 0.274 782 P C 0.579 177.866 177.300 -0.022 0.000 1.264 782 P CA -0.343 62.744 63.100 -0.023 0.000 0.795 782 P CB 0.376 32.020 31.700 -0.094 0.000 1.064 783 G N -0.576 108.190 108.800 -0.056 0.000 2.547 783 G HA2 0.515 4.475 3.960 -0.000 0.000 0.291 783 G HA3 0.515 4.475 3.960 -0.000 0.000 0.291 783 G C -2.612 172.272 174.900 -0.028 0.000 1.211 783 G CA -1.230 43.851 45.100 -0.031 0.000 0.950 783 G HN 0.335 nan 8.290 nan 0.000 0.504 784 P HA 0.305 nan 4.420 nan 0.000 0.278 784 P C 0.580 177.871 177.300 -0.015 0.000 1.238 784 P CA -0.428 62.664 63.100 -0.013 0.000 0.794 784 P CB 1.781 33.475 31.700 -0.011 0.000 0.955 785 S N 1.400 117.094 115.700 -0.011 0.000 2.374 785 S HA -0.039 4.431 4.470 -0.000 0.000 0.207 785 S C 0.842 175.438 174.600 -0.007 0.000 1.042 785 S CA 0.911 59.106 58.200 -0.009 0.000 1.034 785 S CB -0.792 62.406 63.200 -0.003 0.000 1.018 785 S HN 0.429 nan 8.310 nan 0.000 0.419 786 I N 3.431 123.999 120.570 -0.004 0.000 2.618 786 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 786 I C -2.230 173.883 176.117 -0.005 0.000 1.146 786 I CA -2.069 59.229 61.300 -0.004 0.000 1.425 786 I CB -0.642 37.357 38.000 -0.002 0.000 1.383 786 I HN 0.113 nan 8.210 nan 0.000 0.562 787 P HA 0.181 nan 4.420 nan 0.000 0.275 787 P C 0.750 178.046 177.300 -0.006 0.000 1.228 787 P CA -0.054 63.042 63.100 -0.006 0.000 0.786 787 P CB 0.968 32.665 31.700 -0.005 0.000 0.927 788 G N 0.836 109.631 108.800 -0.007 0.000 2.233 788 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.270 788 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.270 788 G C 0.453 175.348 174.900 -0.008 0.000 1.011 788 G CA 0.247 45.342 45.100 -0.008 0.000 0.762 788 G HN 0.904 nan 8.290 nan 0.000 0.511 789 A N 0.181 122.996 122.820 -0.008 0.000 2.304 789 A HA 0.800 5.120 4.320 -0.000 0.000 0.271 789 A C -0.863 176.715 177.584 -0.011 0.000 1.091 789 A CA -0.685 51.347 52.037 -0.008 0.000 0.812 789 A CB 0.509 19.505 19.000 -0.007 0.000 1.056 789 A HN 0.323 nan 8.150 nan 0.000 0.489 790 P HA 0.221 nan 4.420 nan 0.000 0.274 790 P C -0.637 176.654 177.300 -0.016 0.000 1.231 790 P CA -0.463 62.628 63.100 -0.015 0.000 0.790 790 P CB 0.314 32.003 31.700 -0.017 0.000 0.951 791 Q N 2.619 122.409 119.800 -0.018 0.000 2.520 791 Q HA 0.004 4.344 4.340 -0.000 0.000 0.320 791 Q C -1.965 174.024 176.000 -0.017 0.000 1.104 791 Q CA -0.260 55.533 55.803 -0.018 0.000 1.062 791 Q CB -0.864 27.861 28.738 -0.021 0.000 1.005 791 Q HN 0.290 nan 8.270 nan 0.000 0.390 792 P HA 0.129 nan 4.420 nan 0.000 0.275 792 P C -0.904 176.391 177.300 -0.008 0.000 1.270 792 P CA -0.484 62.613 63.100 -0.006 0.000 0.791 792 P CB 0.421 32.127 31.700 0.009 0.000 1.089 793 I N -1.063 119.502 120.570 -0.008 0.000 2.720 793 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 793 I C -2.246 173.906 176.117 0.058 0.000 1.090 793 I CA -2.617 58.676 61.300 -0.013 0.000 1.384 793 I CB -0.814 37.124 38.000 -0.103 0.000 1.420 793 I HN 0.136 nan 8.210 nan 0.000 0.575 794 P HA 0.169 nan 4.420 nan 0.000 0.266 794 P C 0.008 177.386 177.300 0.130 0.000 1.215 794 P CA -0.137 62.957 63.100 -0.010 0.000 0.763 794 P CB 0.463 32.088 31.700 -0.125 0.000 0.806 795 R N 2.333 122.890 120.500 0.097 0.000 2.362 795 R HA 0.264 4.604 4.340 -0.000 0.000 0.227 795 R C -0.138 176.277 176.300 0.191 0.000 0.905 795 R CA -0.044 56.230 56.100 0.290 0.000 1.067 795 R CB 0.007 30.480 30.300 0.287 0.000 1.078 795 R HN 0.326 nan 8.270 nan 0.000 0.516 796 L N 0.743 121.826 121.223 -0.234 0.000 2.555 796 L HA 0.461 4.801 4.340 -0.000 0.000 0.264 796 L C -1.598 174.858 176.870 -0.689 0.000 0.972 796 L CA -0.827 53.813 54.840 -0.333 0.000 0.876 796 L CB 0.913 42.650 42.059 -0.537 0.000 1.216 796 L HN -0.209 nan 8.230 nan 0.000 0.415 797 F N 4.147 123.780 119.950 -0.528 0.000 2.541 797 F HA 0.694 5.221 4.527 -0.000 0.000 0.331 797 F C -0.477 174.893 175.800 -0.717 0.000 1.057 797 F CA -0.725 56.982 58.000 -0.488 0.000 0.975 797 F CB 1.702 40.589 39.000 -0.190 0.000 1.246 797 F HN 0.186 nan 8.300 nan 0.000 0.484 798 F N 0.863 120.905 119.950 0.154 0.000 2.536 798 F HA 0.731 5.258 4.527 -0.000 0.000 0.322 798 F C -0.035 175.774 175.800 0.015 0.000 1.144 798 F CA -0.657 57.379 58.000 0.060 0.000 0.924 798 F CB 1.684 40.698 39.000 0.023 0.000 1.181 798 F HN 0.615 nan 8.300 nan 0.000 0.438 799 A N 2.170 125.084 122.820 0.157 0.000 2.569 799 A HA 1.022 5.342 4.320 -0.000 0.000 0.290 799 A C -0.493 177.013 177.584 -0.130 0.000 1.136 799 A CA -0.436 51.597 52.037 -0.006 0.000 0.710 799 A CB 1.908 20.898 19.000 -0.017 0.000 1.303 799 A HN 1.348 nan 8.150 nan 0.000 0.413 800 G N -0.692 107.954 108.800 -0.257 0.000 2.350 800 G HA2 0.421 4.381 3.960 -0.000 0.000 0.305 800 G HA3 0.421 4.381 3.960 -0.000 0.000 0.305 800 G C 0.158 174.835 174.900 -0.372 0.000 1.479 800 G CA 0.400 45.306 45.100 -0.322 0.000 0.949 800 G HN 1.174 nan 8.290 nan 0.000 0.651 801 E N 0.297 120.385 120.200 -0.186 0.000 2.331 801 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 801 E C 1.494 178.040 176.600 -0.089 0.000 1.008 801 E CA 2.042 58.374 56.400 -0.113 0.000 0.843 801 E CB -0.471 29.201 29.700 -0.047 0.000 0.761 801 E HN 0.848 nan 8.360 nan 0.000 0.507 802 H N -0.163 118.887 119.070 -0.034 0.000 2.548 802 H HA 0.123 4.679 4.556 -0.000 0.000 0.265 802 H C 1.371 176.766 175.328 0.112 0.000 0.969 802 H CA 1.272 57.341 56.048 0.035 0.000 1.155 802 H CB -0.355 29.398 29.762 -0.016 0.000 1.394 802 H HN 0.251 nan 8.280 nan 0.000 0.570 803 T N -1.491 112.978 114.554 -0.142 0.000 3.060 803 T HA 0.168 4.518 4.350 -0.000 0.000 0.249 803 T C 0.935 175.620 174.700 -0.025 0.000 1.079 803 T CA -0.352 61.735 62.100 -0.021 0.000 1.013 803 T CB -0.337 68.478 68.868 -0.088 0.000 0.975 803 T HN 0.269 nan 8.240 nan 0.000 0.518 804 I N 2.529 123.010 120.570 -0.149 0.000 2.325 804 I HA 0.396 4.565 4.170 -0.000 0.000 0.285 804 I C 1.676 177.660 176.117 -0.221 0.000 1.128 804 I CA -1.109 60.122 61.300 -0.115 0.000 1.261 804 I CB 0.112 38.084 38.000 -0.046 0.000 1.529 804 I HN 0.105 nan 8.210 nan 0.000 0.557 805 R N 2.854 123.267 120.500 -0.146 0.000 2.265 805 R HA -0.281 4.059 4.340 -0.000 0.000 0.268 805 R C 0.682 176.922 176.300 -0.101 0.000 1.178 805 R CA 2.511 58.555 56.100 -0.092 0.000 1.005 805 R CB -0.095 30.283 30.300 0.129 0.000 0.891 805 R HN 0.566 nan 8.270 nan 0.000 0.472 806 N N -1.684 116.968 118.700 -0.079 0.000 2.325 806 N HA 0.044 4.783 4.740 -0.000 0.000 0.182 806 N C -0.782 174.409 175.510 -0.532 0.000 1.088 806 N CA 0.614 53.584 53.050 -0.133 0.000 0.879 806 N CB 0.690 39.035 38.487 -0.237 0.000 0.983 806 N HN 0.235 nan 8.380 nan 0.000 0.471 807 Y N -0.895 119.422 120.300 0.029 0.000 2.640 807 Y HA 0.372 4.922 4.550 -0.000 0.000 0.295 807 Y C -2.645 173.189 175.900 -0.110 0.000 1.023 807 Y CA -2.091 56.028 58.100 0.032 0.000 1.163 807 Y CB 0.951 39.508 38.460 0.161 0.000 1.145 807 Y HN -0.090 nan 8.280 nan 0.000 0.609 808 P HA 0.329 nan 4.420 nan 0.000 0.281 808 P C 0.124 177.361 177.300 -0.106 0.000 1.249 808 P CA -0.055 62.909 63.100 -0.227 0.000 0.810 808 P CB 1.309 32.724 31.700 -0.475 0.000 1.008 809 A N 0.153 122.929 122.820 -0.073 0.000 2.362 809 A HA 0.002 4.322 4.320 -0.000 0.000 0.290 809 A C 0.458 177.859 177.584 -0.306 0.000 1.441 809 A CA 1.327 53.329 52.037 -0.058 0.000 0.743 809 A CB -2.627 16.518 19.000 0.241 0.000 1.125 809 A HN 0.831 nan 8.150 nan 0.000 0.378 810 T N -4.499 109.851 114.554 -0.340 0.000 2.792 810 T HA 0.604 4.954 4.350 -0.000 0.000 0.303 810 T C 0.734 175.174 174.700 -0.432 0.000 1.310 810 T CA -0.101 61.705 62.100 -0.490 0.000 1.007 810 T CB 1.164 69.551 68.868 -0.801 0.000 1.335 810 T HN 0.899 nan 8.240 nan 0.000 0.504 811 V N 1.817 121.494 119.914 -0.395 0.000 2.307 811 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 811 V C 2.674 178.687 176.094 -0.136 0.000 1.045 811 V CA 2.197 64.346 62.300 -0.251 0.000 1.024 811 V CB -1.357 30.313 31.823 -0.254 0.000 0.651 811 V HN 1.035 nan 8.190 nan 0.000 0.449 812 H N 0.757 119.838 119.070 0.019 0.000 2.287 812 H HA -0.178 4.378 4.556 -0.000 0.000 0.292 812 H C 2.411 177.706 175.328 -0.054 0.000 1.068 812 H CA 1.749 57.802 56.048 0.008 0.000 1.192 812 H CB -1.450 28.378 29.762 0.111 0.000 1.360 812 H HN 0.334 nan 8.280 nan 0.000 0.516 813 G N 1.522 110.349 108.800 0.044 0.000 2.869 813 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.236 813 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.236 813 G C 2.044 176.901 174.900 -0.071 0.000 1.134 813 G CA 2.778 47.881 45.100 0.006 0.000 0.748 813 G HN 0.797 nan 8.290 nan 0.000 0.644 814 A N -0.132 122.616 122.820 -0.119 0.000 1.969 814 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 814 A C 2.322 179.850 177.584 -0.094 0.000 1.169 814 A CA 1.688 53.658 52.037 -0.111 0.000 0.635 814 A CB -0.269 18.661 19.000 -0.117 0.000 0.810 814 A HN 0.465 nan 8.150 nan 0.000 0.445 815 L N -0.068 121.105 121.223 -0.083 0.000 1.971 815 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 815 L C 2.329 179.122 176.870 -0.128 0.000 1.083 815 L CA 1.870 56.657 54.840 -0.088 0.000 0.753 815 L CB -1.154 40.872 42.059 -0.055 0.000 0.893 815 L HN 0.425 nan 8.230 nan 0.000 0.436 816 L N 0.454 121.588 121.223 -0.148 0.000 2.119 816 L HA -0.397 3.943 4.340 -0.000 0.000 0.226 816 L C 2.921 179.723 176.870 -0.113 0.000 1.093 816 L CA 2.096 56.836 54.840 -0.166 0.000 0.806 816 L CB -1.202 40.767 42.059 -0.151 0.000 0.902 816 L HN 0.546 nan 8.230 nan 0.000 0.444 817 S N 0.113 115.762 115.700 -0.084 0.000 2.359 817 S HA -0.175 4.295 4.470 -0.000 0.000 0.222 817 S C 1.893 176.452 174.600 -0.069 0.000 1.038 817 S CA 1.692 59.850 58.200 -0.071 0.000 1.051 817 S CB -0.648 62.497 63.200 -0.093 0.000 0.944 817 S HN 0.519 nan 8.310 nan 0.000 0.433 818 G N 0.702 109.452 108.800 -0.084 0.000 2.650 818 G HA2 0.161 4.121 3.960 -0.000 0.000 0.214 818 G HA3 0.161 4.121 3.960 -0.000 0.000 0.214 818 G C 1.337 176.179 174.900 -0.097 0.000 1.136 818 G CA 0.372 45.423 45.100 -0.082 0.000 0.789 818 G HN 0.476 nan 8.290 nan 0.000 0.536 819 L N -0.635 120.517 121.223 -0.118 0.000 1.925 819 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 819 L C 2.703 179.532 176.870 -0.070 0.000 1.091 819 L CA 1.141 55.904 54.840 -0.129 0.000 0.768 819 L CB -0.664 41.269 42.059 -0.210 0.000 0.887 819 L HN 0.167 nan 8.230 nan 0.000 0.433 820 R N 0.263 120.721 120.500 -0.070 0.000 2.313 820 R HA -0.335 4.005 4.340 -0.000 0.000 0.218 820 R C 1.965 178.270 176.300 0.008 0.000 1.104 820 R CA 2.659 58.737 56.100 -0.036 0.000 0.793 820 R CB -0.616 29.660 30.300 -0.040 0.000 0.964 820 R HN 0.339 nan 8.270 nan 0.000 0.377 821 E N -0.526 119.678 120.200 0.008 0.000 2.339 821 E HA -0.186 4.164 4.350 -0.000 0.000 0.201 821 E C 1.515 178.100 176.600 -0.025 0.000 1.015 821 E CA 1.379 57.792 56.400 0.020 0.000 0.841 821 E CB -0.244 29.467 29.700 0.018 0.000 0.754 821 E HN 0.547 nan 8.360 nan 0.000 0.508 822 A N 0.018 122.831 122.820 -0.012 0.000 1.924 822 A HA 0.219 4.539 4.320 -0.000 0.000 0.211 822 A C 2.275 179.969 177.584 0.185 0.000 1.198 822 A CA 1.045 53.083 52.037 0.001 0.000 0.657 822 A CB -0.801 18.139 19.000 -0.099 0.000 0.852 822 A HN 0.295 nan 8.150 nan 0.000 0.454 823 G N 0.651 109.602 108.800 0.252 0.000 2.908 823 G HA2 -0.426 3.533 3.960 -0.000 0.000 0.218 823 G HA3 -0.426 3.533 3.960 -0.000 0.000 0.218 823 G C 1.644 176.702 174.900 0.263 0.000 1.311 823 G CA 2.041 47.362 45.100 0.368 0.000 0.787 823 G HN 0.664 nan 8.290 nan 0.000 0.700 824 R N 0.253 120.869 120.500 0.193 0.000 2.208 824 R HA -0.184 4.156 4.340 -0.000 0.000 0.262 824 R C 2.532 178.910 176.300 0.130 0.000 1.166 824 R CA 2.255 58.465 56.100 0.184 0.000 0.987 824 R CB -0.469 29.952 30.300 0.202 0.000 0.887 824 R HN 0.507 nan 8.270 nan 0.000 0.459 825 I N 0.181 120.726 120.570 -0.041 0.000 2.584 825 I HA -0.058 4.112 4.170 -0.000 0.000 0.255 825 I C 2.480 178.647 176.117 0.083 0.000 1.145 825 I CA 0.821 62.006 61.300 -0.192 0.000 1.462 825 I CB -0.154 37.502 38.000 -0.573 0.000 1.102 825 I HN 0.361 nan 8.210 nan 0.000 0.433 826 A N 0.859 123.767 122.820 0.148 0.000 1.832 826 A HA -0.233 4.087 4.320 -0.000 0.000 0.214 826 A C 1.948 179.630 177.584 0.163 0.000 1.200 826 A CA 2.064 54.214 52.037 0.187 0.000 0.610 826 A CB -0.839 18.285 19.000 0.207 0.000 0.842 826 A HN 0.297 nan 8.150 nan 0.000 0.444 827 D N -0.855 119.646 120.400 0.169 0.000 2.200 827 D HA -0.246 4.394 4.640 -0.000 0.000 0.192 827 D C 1.989 178.367 176.300 0.131 0.000 1.008 827 D CA 2.026 56.120 54.000 0.157 0.000 0.872 827 D CB -0.319 40.605 40.800 0.207 0.000 0.923 827 D HN 0.521 nan 8.370 nan 0.000 0.447 828 Q N -0.601 119.318 119.800 0.198 0.000 1.941 828 Q HA -0.013 4.327 4.340 -0.000 0.000 0.201 828 Q C 1.787 177.837 176.000 0.084 0.000 0.982 828 Q CA 1.495 57.409 55.803 0.186 0.000 0.839 828 Q CB -0.611 28.393 28.738 0.444 0.000 0.904 828 Q HN 0.417 nan 8.270 nan 0.000 0.427 829 F N -1.013 118.958 119.950 0.036 0.000 2.765 829 F HA 0.224 4.751 4.527 -0.000 0.000 0.302 829 F C 0.975 176.791 175.800 0.028 0.000 1.111 829 F CA 0.042 58.062 58.000 0.034 0.000 1.359 829 F CB 0.607 39.622 39.000 0.024 0.000 1.097 829 F HN 0.031 nan 8.300 nan 0.000 0.577 830 L N -0.708 120.614 121.223 0.165 0.000 3.135 830 L HA 0.423 4.763 4.340 -0.000 0.000 0.279 830 L C 0.651 177.549 176.870 0.047 0.000 1.200 830 L CA -0.215 54.682 54.840 0.095 0.000 1.016 830 L CB 0.193 42.307 42.059 0.092 0.000 1.391 830 L HN 0.057 nan 8.230 nan 0.000 0.588 831 G N 1.415 110.235 108.800 0.033 0.000 2.915 831 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.686 831 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.686 831 G C -0.003 174.893 174.900 -0.006 0.000 1.414 831 G CA -0.175 44.922 45.100 -0.005 0.000 1.053 831 G HN 0.399 nan 8.290 nan 0.000 0.598 832 A N 4.037 126.806 122.820 -0.085 0.000 3.016 832 A HA 0.557 4.877 4.320 -0.000 0.000 0.303 832 A C 1.713 179.106 177.584 -0.319 0.000 1.507 832 A CA 0.364 52.257 52.037 -0.240 0.000 1.196 832 A CB -0.233 18.433 19.000 -0.555 0.000 1.169 832 A HN 0.856 nan 8.150 nan 0.000 0.544 833 M N 0.727 120.282 119.600 -0.075 0.000 2.435 833 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 833 M C 1.341 177.604 176.300 -0.062 0.000 1.065 833 M CA 1.526 56.794 55.300 -0.053 0.000 1.076 833 M CB -1.374 31.235 32.600 0.013 0.000 1.403 833 M HN 0.939 nan 8.290 nan 0.000 0.454 834 Y N 0.601 120.843 120.300 -0.097 0.000 2.502 834 Y HA 0.182 4.732 4.550 -0.000 0.000 0.295 834 Y C 1.855 177.614 175.900 -0.235 0.000 1.193 834 Y CA 0.657 58.674 58.100 -0.139 0.000 1.295 834 Y CB -1.589 36.799 38.460 -0.120 0.000 1.059 834 Y HN 0.209 nan 8.280 nan 0.000 0.514 835 T N -1.947 112.322 114.554 -0.476 0.000 3.044 835 T HA 0.130 4.480 4.350 -0.000 0.000 0.255 835 T C 0.799 175.316 174.700 -0.305 0.000 1.073 835 T CA -0.163 61.680 62.100 -0.427 0.000 1.125 835 T CB -0.271 68.365 68.868 -0.387 0.000 0.908 835 T HN 0.099 nan 8.240 nan 0.000 0.480 836 L N 0.000 121.090 121.223 -0.222 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.747 54.840 -0.155 0.000 0.813 836 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502