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 2x6h_1_A DATA FIRST_RESID 291 DATA SEQUENCE ASIRDQLHTI VYRYPPTYVL SSEEQDLVWK FRFYLSSHKK ALTKFLKCIN DATA SEQUENCE WKLEDEVTQA LWMLANWAPM DVEDALELLS PTFTHPQVRK YAVSRLAQAP DATA SEQUENCE DEDLLLYLLQ LVQALKYEDP RHIVHLHGCI FXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XNLCTFLIQR DATA SEQUENCE ACTNATLANY FYWYLSIEVE EXXXXXKQDE RAHDMYAMVL KMFLKVLENG DATA SEQUENCE NFNLRGIFYN LRKQRRFIDE LVKLVKLVAK EPGNRNKKTE KFQKLLAEQD DATA SEQUENCE MFKVNFTNFE PIPFPLDPEI YITKIVPMRT SLFKSALMPA KLTFVTSIAH DATA SEQUENCE HEYAAIFKHG DDLRQDQLIL QMITLMDKLL RRENLDLKLT PYKVLATSSK DATA SEQUENCE HGFLQYVDSC TVAEVLAREG NIHNFFRKHH PCDNGPYGIS AEVMDTYIKS DATA SEQUENCE CAGYCVITYL LGVGDRHLDN LLLTTNGKLF HIDFGYILGR DPKPMPPPMK DATA SEQUENCE LSKEMVEAMG GISSEHHHEF RKQCYTAYLH LRRHANVMLN LFSLMVDATV DATA SEQUENCE PDIALEPDKA VKKVEENLQL GLTDEEAVQH LQSLLDVSIT AVMPALVEQI DATA SEQUENCE HRFTQYWR 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 291 A HA 0.000 nan 4.320 nan 0.000 0.244 291 A C 0.000 177.602 177.584 0.030 0.000 1.274 291 A CA 0.000 52.095 52.037 0.096 0.000 0.836 291 A CB 0.000 19.037 19.000 0.062 0.000 0.831 292 S N -0.440 115.266 115.700 0.010 0.000 2.402 292 S HA -0.005 4.471 4.470 0.011 0.000 0.229 292 S C 1.391 175.977 174.600 -0.022 0.000 1.021 292 S CA 2.011 60.209 58.200 -0.004 0.000 0.974 292 S CB -0.241 62.955 63.200 -0.006 0.000 0.800 292 S HN 0.641 nan 8.310 nan 0.000 0.484 293 I N -0.216 120.327 120.570 -0.046 0.000 4.124 293 I HA 0.265 4.441 4.170 0.011 0.000 0.311 293 I C 2.367 178.416 176.117 -0.112 0.000 1.259 293 I CA -0.188 61.071 61.300 -0.069 0.000 1.315 293 I CB 0.188 38.146 38.000 -0.071 0.000 1.223 293 I HN 0.130 nan 8.210 nan 0.000 0.441 294 R N 2.185 122.598 120.500 -0.144 0.000 2.165 294 R HA -0.280 4.067 4.340 0.011 0.000 0.254 294 R C 1.773 177.931 176.300 -0.236 0.000 1.153 294 R CA 2.653 58.589 56.100 -0.273 0.000 0.971 294 R CB -0.700 29.420 30.300 -0.300 0.000 0.878 294 R HN 0.549 nan 8.270 nan 0.000 0.449 295 D N -0.743 119.605 120.400 -0.087 0.000 2.117 295 D HA -0.238 4.408 4.640 0.011 0.000 0.198 295 D C 1.739 178.061 176.300 0.037 0.000 0.982 295 D CA 1.420 55.436 54.000 0.026 0.000 0.828 295 D CB -0.581 40.246 40.800 0.046 0.000 0.967 295 D HN 0.556 nan 8.370 nan 0.000 0.464 296 Q N 0.186 119.967 119.800 -0.031 0.000 2.123 296 Q HA -0.019 4.327 4.340 0.011 0.000 0.199 296 Q C 2.551 178.504 176.000 -0.079 0.000 0.966 296 Q CA 0.378 56.158 55.803 -0.040 0.000 0.845 296 Q CB -0.028 28.672 28.738 -0.064 0.000 0.907 296 Q HN 0.232 nan 8.270 nan 0.000 0.439 297 L N 0.069 121.202 121.223 -0.151 0.000 2.131 297 L HA -0.211 4.136 4.340 0.011 0.000 0.210 297 L C 2.253 179.017 176.870 -0.176 0.000 1.092 297 L CA 1.198 55.908 54.840 -0.217 0.000 0.759 297 L CB -0.541 41.322 42.059 -0.328 0.000 0.903 297 L HN 0.440 nan 8.230 nan 0.000 0.435 298 H N -0.933 118.069 119.070 -0.114 0.000 2.448 298 H HA -0.044 4.518 4.556 0.011 0.000 0.292 298 H C 2.373 177.663 175.328 -0.063 0.000 1.035 298 H CA 1.730 57.669 56.048 -0.182 0.000 1.349 298 H CB -0.242 29.443 29.762 -0.128 0.000 1.425 298 H HN 0.379 nan 8.280 nan 0.000 0.539 299 T N -0.834 113.906 114.554 0.311 0.000 2.867 299 T HA -0.076 4.281 4.350 0.011 0.000 0.268 299 T C 2.028 176.838 174.700 0.183 0.000 1.057 299 T CA 0.729 63.081 62.100 0.420 0.000 1.136 299 T CB -0.309 68.691 68.868 0.220 0.000 0.874 299 T HN 0.053 nan 8.240 nan 0.000 0.466 300 I N 1.322 121.872 120.570 -0.033 0.000 2.454 300 I HA -0.041 4.135 4.170 0.011 0.000 0.254 300 I C 2.490 178.556 176.117 -0.085 0.000 1.156 300 I CA 0.716 61.875 61.300 -0.235 0.000 1.433 300 I CB -0.896 36.900 38.000 -0.340 0.000 1.082 300 I HN 0.237 nan 8.210 nan 0.000 0.432 301 V N -0.696 119.181 119.914 -0.063 0.000 2.725 301 V HA -0.191 3.935 4.120 0.011 0.000 0.247 301 V C 2.183 178.256 176.094 -0.034 0.000 1.058 301 V CA 1.050 63.291 62.300 -0.098 0.000 1.080 301 V CB -0.699 31.030 31.823 -0.157 0.000 0.713 301 V HN 0.210 nan 8.190 nan 0.000 0.465 302 Y N -0.275 120.079 120.300 0.091 0.000 2.314 302 Y HA 0.062 4.618 4.550 0.010 0.000 0.293 302 Y C 2.509 178.468 175.900 0.099 0.000 1.129 302 Y CA 0.973 59.139 58.100 0.110 0.000 1.201 302 Y CB 0.094 38.645 38.460 0.152 0.000 0.999 302 Y HN -0.001 nan 8.280 nan 0.000 0.541 303 R N -2.305 118.379 120.500 0.306 0.000 2.509 303 R HA 0.181 4.527 4.340 0.011 0.000 0.297 303 R C 0.128 176.625 176.300 0.328 0.000 0.951 303 R CA 0.218 56.479 56.100 0.269 0.000 1.103 303 R CB 0.388 30.852 30.300 0.273 0.000 1.283 303 R HN 0.399 nan 8.270 nan 0.000 0.534 304 Y N 0.400 120.683 120.300 -0.028 0.000 3.059 304 Y HA 0.262 4.818 4.550 0.011 0.000 0.212 304 Y C -1.645 174.198 175.900 -0.095 0.000 0.947 304 Y CA -0.625 57.428 58.100 -0.078 0.000 1.571 304 Y CB -0.239 38.147 38.460 -0.123 0.000 1.432 304 Y HN -0.104 nan 8.280 nan 0.000 0.450 305 P HA -0.049 nan 4.420 nan 0.000 0.262 305 P C -2.293 175.139 177.300 0.220 0.000 1.182 305 P CA -0.192 62.812 63.100 -0.160 0.000 0.761 305 P CB 0.829 32.341 31.700 -0.314 0.000 0.795 306 P HA 0.029 nan 4.420 nan 0.000 0.213 306 P C 0.634 178.036 177.300 0.169 0.000 1.100 306 P CA 0.877 64.106 63.100 0.214 0.000 0.956 306 P CB 0.273 32.053 31.700 0.132 0.000 0.843 307 T N -4.929 109.700 114.554 0.125 0.000 3.132 307 T HA 0.258 4.614 4.350 0.011 0.000 0.274 307 T C 0.249 174.947 174.700 -0.003 0.000 1.011 307 T CA -0.403 61.708 62.100 0.018 0.000 0.899 307 T CB -1.136 67.682 68.868 -0.082 0.000 1.089 307 T HN -0.168 nan 8.240 nan 0.000 0.543 308 Y N 1.642 121.957 120.300 0.025 0.000 2.526 308 Y HA 0.221 4.777 4.550 0.011 0.000 0.330 308 Y C 1.624 177.538 175.900 0.023 0.000 1.156 308 Y CA -0.637 57.475 58.100 0.022 0.000 1.419 308 Y CB 0.798 39.271 38.460 0.022 0.000 1.250 308 Y HN -0.043 nan 8.280 nan 0.000 0.540 309 V N 3.984 123.976 119.914 0.129 0.000 3.461 309 V HA -0.180 3.946 4.120 0.011 0.000 0.267 309 V C 2.021 178.184 176.094 0.114 0.000 1.186 309 V CA 0.497 62.853 62.300 0.094 0.000 1.154 309 V CB -0.831 31.024 31.823 0.053 0.000 0.802 309 V HN 0.902 nan 8.190 nan 0.000 0.474 310 L N 1.638 122.972 121.223 0.184 0.000 2.085 310 L HA -0.185 4.161 4.340 0.011 0.000 0.218 310 L C 1.814 178.724 176.870 0.066 0.000 1.080 310 L CA 1.645 56.572 54.840 0.145 0.000 0.776 310 L CB -0.221 41.945 42.059 0.178 0.000 0.891 310 L HN 0.663 nan 8.230 nan 0.000 0.437 311 S N -1.577 114.155 115.700 0.054 0.000 2.546 311 S HA 0.099 4.575 4.470 0.011 0.000 0.290 311 S C 0.442 175.050 174.600 0.013 0.000 1.262 311 S CA 0.156 58.366 58.200 0.016 0.000 1.083 311 S CB 1.488 64.690 63.200 0.003 0.000 0.859 311 S HN 0.445 nan 8.310 nan 0.000 0.495 312 S N 2.190 117.890 115.700 -0.001 0.000 4.238 312 S HA 0.118 4.594 4.470 0.011 0.000 0.167 312 S C 1.289 175.869 174.600 -0.033 0.000 0.921 312 S CA -0.061 58.132 58.200 -0.013 0.000 1.128 312 S CB -0.446 62.757 63.200 0.004 0.000 1.636 312 S HN 0.604 nan 8.310 nan 0.000 0.753 313 E N 1.877 122.065 120.200 -0.021 0.000 2.077 313 E HA -0.092 4.265 4.350 0.011 0.000 0.193 313 E C 1.732 178.336 176.600 0.007 0.000 0.989 313 E CA 1.499 57.889 56.400 -0.016 0.000 0.800 313 E CB -0.808 28.882 29.700 -0.017 0.000 0.746 313 E HN 0.629 nan 8.360 nan 0.000 0.452 314 E N 1.363 121.569 120.200 0.010 0.000 2.169 314 E HA -0.248 4.108 4.350 0.011 0.000 0.202 314 E C 2.062 178.696 176.600 0.057 0.000 1.016 314 E CA 1.653 58.083 56.400 0.049 0.000 0.817 314 E CB -0.338 29.375 29.700 0.021 0.000 0.736 314 E HN 0.426 nan 8.360 nan 0.000 0.462 315 Q N 0.205 120.008 119.800 0.005 0.000 2.152 315 Q HA -0.200 4.146 4.340 0.011 0.000 0.206 315 Q C 1.452 177.505 176.000 0.088 0.000 0.985 315 Q CA 1.409 57.197 55.803 -0.025 0.000 0.863 315 Q CB -0.095 28.584 28.738 -0.097 0.000 0.904 315 Q HN 0.353 nan 8.270 nan 0.000 0.422 316 D N 0.359 120.839 120.400 0.133 0.000 2.194 316 D HA -0.050 4.596 4.640 0.011 0.000 0.204 316 D C 2.021 178.455 176.300 0.223 0.000 0.964 316 D CA 0.806 54.947 54.000 0.236 0.000 0.846 316 D CB 0.119 40.981 40.800 0.103 0.000 0.962 316 D HN 0.287 nan 8.370 nan 0.000 0.490 317 L N -0.736 120.606 121.223 0.198 0.000 2.162 317 L HA 0.049 4.396 4.340 0.011 0.000 0.205 317 L C 2.379 179.483 176.870 0.390 0.000 1.086 317 L CA 0.336 55.347 54.840 0.285 0.000 0.778 317 L CB -0.827 41.347 42.059 0.193 0.000 0.928 317 L HN -0.208 nan 8.230 nan 0.000 0.446 318 V N -0.375 119.639 119.914 0.166 0.000 2.407 318 V HA -0.222 3.905 4.120 0.011 0.000 0.248 318 V C 2.325 178.463 176.094 0.073 0.000 1.055 318 V CA 1.797 63.999 62.300 -0.163 0.000 1.049 318 V CB -0.738 30.932 31.823 -0.255 0.000 0.662 318 V HN 0.654 nan 8.190 nan 0.000 0.455 319 W N 2.531 123.759 121.300 -0.120 0.000 2.381 319 W HA -0.173 4.494 4.660 0.011 0.000 0.301 319 W C 2.465 179.011 176.519 0.045 0.000 1.205 319 W CA 2.079 59.305 57.345 -0.199 0.000 1.285 319 W CB -0.325 29.049 29.460 -0.143 0.000 1.133 319 W HN 0.454 nan 8.180 nan 0.000 0.521 320 K N -1.604 118.976 120.400 0.300 0.000 2.155 320 K HA -0.104 4.223 4.320 0.011 0.000 0.203 320 K C 1.978 178.637 176.600 0.099 0.000 1.052 320 K CA 1.518 57.884 56.287 0.132 0.000 0.948 320 K CB -1.298 31.238 32.500 0.061 0.000 0.728 320 K HN 0.103 nan 8.250 nan 0.000 0.448 321 F N 1.518 121.573 119.950 0.174 0.000 2.569 321 F HA 0.225 4.759 4.527 0.010 0.000 0.295 321 F C 2.327 178.226 175.800 0.164 0.000 1.115 321 F CA 0.007 58.128 58.000 0.202 0.000 1.450 321 F CB 0.145 39.288 39.000 0.239 0.000 1.107 321 F HN -0.149 nan 8.300 nan 0.000 0.563 322 R N -0.417 120.224 120.500 0.235 0.000 2.105 322 R HA -0.181 4.165 4.340 0.011 0.000 0.239 322 R C 1.885 178.227 176.300 0.071 0.000 1.135 322 R CA 1.695 57.869 56.100 0.123 0.000 0.967 322 R CB -0.549 29.588 30.300 -0.272 0.000 0.861 322 R HN 0.230 nan 8.270 nan 0.000 0.442 323 F N -1.371 118.620 119.950 0.068 0.000 2.259 323 F HA -0.135 4.398 4.527 0.011 0.000 0.298 323 F C 1.805 177.584 175.800 -0.034 0.000 1.088 323 F CA 1.202 59.203 58.000 0.002 0.000 1.358 323 F CB -0.189 38.706 39.000 -0.175 0.000 1.040 323 F HN 0.049 nan 8.300 nan 0.000 0.505 324 Y N -0.529 119.840 120.300 0.114 0.000 2.262 324 Y HA 0.156 4.713 4.550 0.011 0.000 0.295 324 Y C 0.482 176.356 175.900 -0.043 0.000 1.121 324 Y CA 0.014 58.118 58.100 0.007 0.000 1.144 324 Y CB 0.412 38.824 38.460 -0.080 0.000 1.043 324 Y HN -0.208 nan 8.280 nan 0.000 0.528 325 L N -1.179 120.118 121.223 0.123 0.000 2.446 325 L HA 0.561 4.908 4.340 0.011 0.000 0.268 325 L C -0.828 175.933 176.870 -0.180 0.000 0.975 325 L CA -0.887 53.940 54.840 -0.022 0.000 0.848 325 L CB 1.756 43.855 42.059 0.065 0.000 1.225 325 L HN -0.182 nan 8.230 nan 0.000 0.410 326 S N 0.700 116.102 115.700 -0.497 0.000 3.363 326 S HA 0.129 4.605 4.470 0.011 0.000 0.267 326 S C 1.057 175.433 174.600 -0.373 0.000 1.288 326 S CA -0.012 57.724 58.200 -0.773 0.000 0.948 326 S CB 1.144 63.185 63.200 -1.931 0.000 1.397 326 S HN 0.803 nan 8.310 nan 0.000 0.493 327 S N 1.957 117.489 115.700 -0.281 0.000 2.359 327 S HA -0.109 4.367 4.470 0.011 0.000 0.223 327 S C 0.617 174.801 174.600 -0.695 0.000 1.039 327 S CA 1.052 58.928 58.200 -0.540 0.000 1.042 327 S CB -0.310 62.481 63.200 -0.683 0.000 0.915 327 S HN 0.872 nan 8.310 nan 0.000 0.439 328 H N -0.810 118.240 119.070 -0.033 0.000 2.985 328 H HA 0.330 4.892 4.556 0.011 0.000 0.360 328 H C 0.561 176.046 175.328 0.261 0.000 1.221 328 H CA -0.668 55.414 56.048 0.057 0.000 1.121 328 H CB 1.305 31.046 29.762 -0.034 0.000 1.854 328 H HN 0.142 nan 8.280 nan 0.000 0.551 329 K N 0.469 121.071 120.400 0.337 0.000 2.160 329 K HA -0.131 4.196 4.320 0.011 0.000 0.206 329 K C 1.349 178.064 176.600 0.192 0.000 1.047 329 K CA 1.087 57.526 56.287 0.253 0.000 0.930 329 K CB 0.233 32.829 32.500 0.160 0.000 0.720 329 K HN 0.261 nan 8.250 nan 0.000 0.450 330 K N 0.848 121.384 120.400 0.228 0.000 2.148 330 K HA -0.024 4.302 4.320 0.011 0.000 0.204 330 K C 2.298 179.080 176.600 0.303 0.000 1.050 330 K CA 1.118 57.526 56.287 0.202 0.000 0.942 330 K CB -0.197 32.413 32.500 0.183 0.000 0.724 330 K HN 0.206 nan 8.250 nan 0.000 0.446 331 A N 1.599 124.699 122.820 0.466 0.000 1.933 331 A HA -0.157 4.169 4.320 0.011 0.000 0.218 331 A C 2.158 179.927 177.584 0.308 0.000 1.175 331 A CA 1.139 53.609 52.037 0.722 0.000 0.628 331 A CB -0.484 19.059 19.000 0.904 0.000 0.814 331 A HN 0.222 nan 8.150 nan 0.000 0.444 332 L N 0.304 121.461 121.223 -0.110 0.000 2.083 332 L HA -0.116 4.230 4.340 0.011 0.000 0.209 332 L C 2.692 179.282 176.870 -0.467 0.000 1.083 332 L CA 2.945 57.184 54.840 -1.002 0.000 0.752 332 L CB -1.081 40.276 42.059 -1.169 0.000 0.899 332 L HN 0.539 nan 8.230 nan 0.000 0.433 333 T N -2.550 111.906 114.554 -0.163 0.000 2.788 333 T HA -0.161 4.195 4.350 0.011 0.000 0.268 333 T C 1.936 176.653 174.700 0.028 0.000 1.044 333 T CA 1.221 63.294 62.100 -0.045 0.000 1.139 333 T CB -0.223 68.648 68.868 0.006 0.000 0.867 333 T HN 0.261 nan 8.240 nan 0.000 0.454 334 K N 0.392 120.817 120.400 0.041 0.000 2.076 334 K HA 0.135 4.461 4.320 0.011 0.000 0.204 334 K C 1.957 178.590 176.600 0.055 0.000 1.051 334 K CA 0.892 57.210 56.287 0.052 0.000 0.949 334 K CB -0.985 31.535 32.500 0.033 0.000 0.726 334 K HN 0.607 nan 8.250 nan 0.000 0.443 335 F N 1.589 121.439 119.950 -0.167 0.000 2.134 335 F HA -0.205 4.329 4.527 0.011 0.000 0.299 335 F C 1.765 177.424 175.800 -0.235 0.000 1.097 335 F CA 0.625 58.507 58.000 -0.197 0.000 1.264 335 F CB 0.096 38.863 39.000 -0.388 0.000 1.001 335 F HN -0.128 nan 8.300 nan 0.000 0.479 336 L N 1.027 122.327 121.223 0.129 0.000 2.191 336 L HA -0.204 4.142 4.340 0.011 0.000 0.212 336 L C 2.129 178.975 176.870 -0.040 0.000 1.103 336 L CA 1.631 56.481 54.840 0.016 0.000 0.769 336 L CB -1.153 40.923 42.059 0.028 0.000 0.908 336 L HN 0.263 nan 8.230 nan 0.000 0.438 337 K N -1.246 119.129 120.400 -0.041 0.000 2.288 337 K HA -0.088 4.238 4.320 0.011 0.000 0.201 337 K C 1.845 178.375 176.600 -0.117 0.000 1.048 337 K CA 1.085 57.290 56.287 -0.136 0.000 0.956 337 K CB 0.143 32.611 32.500 -0.053 0.000 0.746 337 K HN 0.435 nan 8.250 nan 0.000 0.461 338 C N -0.610 118.617 119.300 -0.122 0.000 2.865 338 C HA 0.245 4.711 4.460 0.011 0.000 0.280 338 C C 2.219 177.090 174.990 -0.198 0.000 1.255 338 C CA -0.496 58.417 59.018 -0.176 0.000 1.705 338 C CB -0.470 27.095 27.740 -0.291 0.000 2.080 338 C HN 0.266 nan 8.230 nan 0.000 0.591 339 I N 2.087 122.543 120.570 -0.189 0.000 2.270 339 I HA -0.059 4.117 4.170 0.011 0.000 0.239 339 I C 1.897 177.964 176.117 -0.083 0.000 1.080 339 I CA 1.170 62.339 61.300 -0.219 0.000 1.383 339 I CB -0.535 37.379 38.000 -0.144 0.000 1.097 339 I HN 0.255 nan 8.210 nan 0.000 0.420 340 N N 0.256 118.902 118.700 -0.091 0.000 2.635 340 N HA -0.224 4.522 4.740 0.011 0.000 0.191 340 N C 1.419 176.914 175.510 -0.025 0.000 1.155 340 N CA 0.728 53.722 53.050 -0.092 0.000 0.927 340 N CB -0.279 38.120 38.487 -0.147 0.000 0.976 340 N HN 0.484 nan 8.380 nan 0.000 0.448 341 W N 1.366 122.564 121.300 -0.170 0.000 2.305 341 W HA -0.218 4.449 4.660 0.011 0.000 0.308 341 W C 1.944 178.408 176.519 -0.091 0.000 1.226 341 W CA 1.625 58.891 57.345 -0.132 0.000 1.253 341 W CB 0.283 29.664 29.460 -0.132 0.000 1.146 341 W HN -0.029 nan 8.180 nan 0.000 0.507 342 K N -2.522 118.019 120.400 0.235 0.000 2.886 342 K HA 0.129 4.455 4.320 0.011 0.000 0.257 342 K C -0.015 176.628 176.600 0.071 0.000 2.209 342 K CA -0.430 55.910 56.287 0.089 0.000 1.251 342 K CB -0.430 32.185 32.500 0.190 0.000 2.489 342 K HN -0.300 nan 8.250 nan 0.000 0.388 343 L N 2.984 124.279 121.223 0.120 0.000 2.506 343 L HA -0.046 4.300 4.340 0.011 0.000 0.281 343 L C 1.126 178.019 176.870 0.037 0.000 1.228 343 L CA 0.529 55.415 54.840 0.077 0.000 0.850 343 L CB 0.542 42.664 42.059 0.104 0.000 1.110 343 L HN 0.469 nan 8.230 nan 0.000 0.496 344 E N 0.763 120.980 120.200 0.028 0.000 2.152 344 E HA -0.202 4.155 4.350 0.011 0.000 0.192 344 E C 1.099 177.716 176.600 0.028 0.000 0.983 344 E CA 0.905 57.313 56.400 0.013 0.000 0.818 344 E CB 0.140 29.851 29.700 0.018 0.000 0.758 344 E HN 0.629 nan 8.360 nan 0.000 0.467 345 D N 0.812 121.243 120.400 0.052 0.000 2.178 345 D HA -0.138 4.508 4.640 0.011 0.000 0.202 345 D C 1.726 178.084 176.300 0.097 0.000 0.974 345 D CA 0.849 54.892 54.000 0.071 0.000 0.841 345 D CB 0.172 41.021 40.800 0.081 0.000 0.953 345 D HN 0.104 nan 8.370 nan 0.000 0.478 346 E N -0.241 120.013 120.200 0.091 0.000 2.107 346 E HA -0.076 4.281 4.350 0.011 0.000 0.191 346 E C 2.281 178.896 176.600 0.024 0.000 0.982 346 E CA 0.381 56.830 56.400 0.080 0.000 0.809 346 E CB 0.075 29.789 29.700 0.022 0.000 0.756 346 E HN 0.200 nan 8.360 nan 0.000 0.459 347 V N 1.809 121.715 119.914 -0.013 0.000 2.427 347 V HA -0.211 3.915 4.120 0.011 0.000 0.248 347 V C 2.635 178.708 176.094 -0.034 0.000 1.051 347 V CA 2.211 64.461 62.300 -0.083 0.000 1.048 347 V CB -0.739 30.995 31.823 -0.147 0.000 0.666 347 V HN 0.434 nan 8.190 nan 0.000 0.456 348 T N -2.659 111.910 114.554 0.024 0.000 2.904 348 T HA -0.214 4.142 4.350 0.011 0.000 0.267 348 T C 1.781 176.553 174.700 0.119 0.000 1.059 348 T CA 1.137 63.274 62.100 0.061 0.000 1.137 348 T CB -0.174 68.727 68.868 0.056 0.000 0.879 348 T HN 0.403 nan 8.240 nan 0.000 0.467 349 Q N 0.535 120.422 119.800 0.145 0.000 2.212 349 Q HA 0.186 4.533 4.340 0.011 0.000 0.199 349 Q C 2.507 178.658 176.000 0.251 0.000 0.950 349 Q CA 1.053 57.000 55.803 0.239 0.000 0.863 349 Q CB -0.202 28.716 28.738 0.299 0.000 0.944 349 Q HN 0.674 nan 8.270 nan 0.000 0.465 350 A N 0.436 123.339 122.820 0.138 0.000 1.970 350 A HA -0.039 4.287 4.320 0.011 0.000 0.216 350 A C 1.966 179.505 177.584 -0.076 0.000 1.170 350 A CA 0.487 52.559 52.037 0.058 0.000 0.645 350 A CB -0.289 18.709 19.000 -0.002 0.000 0.816 350 A HN 0.307 nan 8.150 nan 0.000 0.447 351 L N -2.416 118.804 121.223 -0.005 0.000 2.156 351 L HA -0.139 4.207 4.340 0.011 0.000 0.208 351 L C 2.406 179.301 176.870 0.041 0.000 1.095 351 L CA 1.390 56.218 54.840 -0.021 0.000 0.770 351 L CB -0.652 41.430 42.059 0.039 0.000 0.914 351 L HN 0.796 nan 8.230 nan 0.000 0.439 352 W N 0.443 121.724 121.300 -0.031 0.000 2.418 352 W HA -0.148 4.519 4.660 0.011 0.000 0.292 352 W C 2.520 179.038 176.519 -0.003 0.000 1.213 352 W CA 0.831 58.178 57.345 0.003 0.000 1.283 352 W CB -0.017 29.469 29.460 0.042 0.000 1.119 352 W HN -0.026 nan 8.180 nan 0.000 0.542 353 M N 0.108 119.717 119.600 0.015 0.000 2.213 353 M HA -0.182 4.304 4.480 0.011 0.000 0.263 353 M C 2.197 178.396 176.300 -0.169 0.000 1.062 353 M CA 1.421 56.668 55.300 -0.088 0.000 1.105 353 M CB -1.434 31.186 32.600 0.033 0.000 1.385 353 M HN 0.248 nan 8.290 nan 0.000 0.417 354 L N -0.145 120.909 121.223 -0.283 0.000 2.109 354 L HA -0.071 4.276 4.340 0.011 0.000 0.207 354 L C 2.420 179.115 176.870 -0.292 0.000 1.086 354 L CA 1.022 55.631 54.840 -0.386 0.000 0.760 354 L CB -0.333 41.418 42.059 -0.514 0.000 0.910 354 L HN 0.218 nan 8.230 nan 0.000 0.437 355 A N 0.071 122.739 122.820 -0.254 0.000 1.972 355 A HA -0.180 4.146 4.320 0.011 0.000 0.219 355 A C 1.846 179.330 177.584 -0.166 0.000 1.169 355 A CA 1.814 53.747 52.037 -0.174 0.000 0.635 355 A CB -0.470 18.437 19.000 -0.155 0.000 0.810 355 A HN 0.645 nan 8.150 nan 0.000 0.446 356 N N -2.172 116.367 118.700 -0.268 0.000 2.432 356 N HA -0.037 4.709 4.740 0.011 0.000 0.174 356 N C 0.420 175.867 175.510 -0.104 0.000 1.037 356 N CA -0.220 52.679 53.050 -0.252 0.000 0.892 356 N CB -0.213 37.985 38.487 -0.482 0.000 1.049 356 N HN 0.619 nan 8.380 nan 0.000 0.442 357 W N 3.122 124.276 121.300 -0.243 0.000 2.477 357 W HA 0.025 4.692 4.660 0.011 0.000 0.339 357 W C 0.292 176.761 176.519 -0.084 0.000 1.195 357 W CA -0.553 56.695 57.345 -0.162 0.000 1.324 357 W CB 0.138 29.469 29.460 -0.216 0.000 1.170 357 W HN -0.052 nan 8.180 nan 0.000 0.570 358 A N 8.239 131.217 122.820 0.265 0.000 2.561 358 A HA 0.157 4.483 4.320 0.011 0.000 0.251 358 A C -2.053 175.731 177.584 0.333 0.000 1.062 358 A CA -0.785 51.399 52.037 0.245 0.000 0.761 358 A CB -0.736 18.357 19.000 0.156 0.000 0.986 358 A HN 0.269 nan 8.150 nan 0.000 0.510 359 P HA 0.144 nan 4.420 nan 0.000 0.271 359 P C 0.109 177.503 177.300 0.157 0.000 1.216 359 P CA -0.156 63.065 63.100 0.203 0.000 0.771 359 P CB 0.441 32.209 31.700 0.113 0.000 0.864 360 M N 2.502 122.203 119.600 0.167 0.000 2.250 360 M HA 0.035 4.522 4.480 0.011 0.000 0.325 360 M C 0.228 176.538 176.300 0.017 0.000 1.084 360 M CA 0.572 55.923 55.300 0.084 0.000 1.161 360 M CB 0.217 32.882 32.600 0.108 0.000 1.481 360 M HN 0.319 nan 8.290 nan 0.000 0.449 361 D N 2.631 123.038 120.400 0.012 0.000 2.304 361 D HA 0.085 4.731 4.640 0.011 0.000 0.250 361 D C 1.297 177.565 176.300 -0.053 0.000 1.107 361 D CA -0.126 53.869 54.000 -0.008 0.000 0.885 361 D CB 1.388 42.196 40.800 0.014 0.000 1.192 361 D HN 0.479 nan 8.370 nan 0.000 0.436 362 V N 2.893 122.770 119.914 -0.062 0.000 2.311 362 V HA -0.342 3.784 4.120 0.011 0.000 0.259 362 V C 2.145 178.126 176.094 -0.187 0.000 1.086 362 V CA 1.812 64.047 62.300 -0.109 0.000 1.078 362 V CB -0.655 31.147 31.823 -0.034 0.000 0.668 362 V HN 0.573 nan 8.190 nan 0.000 0.452 363 E N 0.170 120.280 120.200 -0.150 0.000 2.110 363 E HA -0.200 4.157 4.350 0.011 0.000 0.193 363 E C 1.771 178.277 176.600 -0.157 0.000 0.988 363 E CA 1.494 57.783 56.400 -0.186 0.000 0.804 363 E CB -0.505 29.153 29.700 -0.070 0.000 0.745 363 E HN 0.675 nan 8.360 nan 0.000 0.458 364 D N 0.805 121.139 120.400 -0.111 0.000 2.216 364 D HA 0.087 4.733 4.640 0.011 0.000 0.208 364 D C 1.898 178.113 176.300 -0.142 0.000 0.960 364 D CA 1.111 55.052 54.000 -0.098 0.000 0.861 364 D CB -0.047 40.723 40.800 -0.050 0.000 0.985 364 D HN 0.160 nan 8.370 nan 0.000 0.493 365 A N 1.190 123.923 122.820 -0.144 0.000 1.978 365 A HA -0.140 4.186 4.320 0.011 0.000 0.220 365 A C 2.334 179.797 177.584 -0.202 0.000 1.170 365 A CA 0.860 52.798 52.037 -0.166 0.000 0.636 365 A CB -0.780 18.105 19.000 -0.190 0.000 0.810 365 A HN 0.181 nan 8.150 nan 0.000 0.448 366 L N -0.822 120.268 121.223 -0.221 0.000 2.083 366 L HA -0.223 4.124 4.340 0.011 0.000 0.209 366 L C 2.635 179.377 176.870 -0.213 0.000 1.083 366 L CA 1.857 56.562 54.840 -0.224 0.000 0.752 366 L CB -0.389 41.502 42.059 -0.282 0.000 0.899 366 L HN 0.627 nan 8.230 nan 0.000 0.433 367 E N 0.393 120.449 120.200 -0.239 0.000 2.204 367 E HA -0.211 4.146 4.350 0.011 0.000 0.195 367 E C 2.227 178.517 176.600 -0.517 0.000 0.990 367 E CA 0.808 57.026 56.400 -0.304 0.000 0.821 367 E CB 0.052 29.590 29.700 -0.269 0.000 0.750 367 E HN 0.512 nan 8.360 nan 0.000 0.477 368 L N 0.381 121.315 121.223 -0.480 0.000 2.217 368 L HA -0.085 4.261 4.340 0.011 0.000 0.211 368 L C 2.259 178.922 176.870 -0.346 0.000 1.107 368 L CA 0.511 55.008 54.840 -0.572 0.000 0.783 368 L CB -0.186 41.693 42.059 -0.300 0.000 0.919 368 L HN 0.266 nan 8.230 nan 0.000 0.442 369 L N -0.588 120.502 121.223 -0.221 0.000 2.418 369 L HA 0.006 4.353 4.340 0.011 0.000 0.218 369 L C 1.678 178.514 176.870 -0.057 0.000 1.125 369 L CA -0.196 54.588 54.840 -0.093 0.000 0.835 369 L CB -0.166 41.864 42.059 -0.049 0.000 0.953 369 L HN 0.225 nan 8.230 nan 0.000 0.454 370 S N 1.102 116.700 115.700 -0.170 0.000 2.560 370 S HA 0.021 4.497 4.470 0.011 0.000 0.276 370 S C -1.226 173.196 174.600 -0.296 0.000 1.350 370 S CA -0.847 57.217 58.200 -0.227 0.000 1.024 370 S CB 0.471 63.526 63.200 -0.240 0.000 0.864 370 S HN 0.014 nan 8.310 nan 0.000 0.536 371 P HA 0.008 nan 4.420 nan 0.000 0.233 371 P C 1.351 178.553 177.300 -0.163 0.000 1.167 371 P CA 1.122 63.875 63.100 -0.577 0.000 0.770 371 P CB -0.629 30.491 31.700 -0.967 0.000 0.837 372 T N -3.513 111.038 114.554 -0.004 0.000 2.904 372 T HA -0.024 4.333 4.350 0.011 0.000 0.267 372 T C 0.619 175.495 174.700 0.293 0.000 1.059 372 T CA 0.483 62.684 62.100 0.169 0.000 1.137 372 T CB -0.931 68.094 68.868 0.263 0.000 0.879 372 T HN 0.050 nan 8.240 nan 0.000 0.467 373 F N 2.266 122.169 119.950 -0.079 0.000 2.332 373 F HA 0.371 4.904 4.527 0.011 0.000 0.368 373 F C 1.393 177.181 175.800 -0.019 0.000 1.110 373 F CA -1.347 56.630 58.000 -0.039 0.000 1.087 373 F CB 1.348 40.330 39.000 -0.030 0.000 1.235 373 F HN -0.056 nan 8.300 nan 0.000 0.470 374 T N -0.411 114.230 114.554 0.145 0.000 2.904 374 T HA -0.204 4.152 4.350 0.011 0.000 0.267 374 T C 0.586 175.360 174.700 0.123 0.000 1.059 374 T CA 0.884 63.046 62.100 0.102 0.000 1.137 374 T CB -0.424 68.484 68.868 0.067 0.000 0.879 374 T HN 0.412 nan 8.240 nan 0.000 0.467 375 H N 3.066 122.175 119.070 0.065 0.000 2.955 375 H HA 0.162 4.725 4.556 0.011 0.000 0.290 375 H C -1.820 173.547 175.328 0.064 0.000 1.047 375 H CA -2.102 53.977 56.048 0.051 0.000 1.484 375 H CB 0.830 30.609 29.762 0.029 0.000 1.501 375 H HN -0.096 nan 8.280 nan 0.000 0.521 376 P HA -0.252 nan 4.420 nan 0.000 0.218 376 P C 1.171 178.349 177.300 -0.203 0.000 1.147 376 P CA 1.344 64.286 63.100 -0.263 0.000 0.827 376 P CB 0.325 31.877 31.700 -0.246 0.000 0.778 377 Q N -0.691 118.941 119.800 -0.280 0.000 2.212 377 Q HA -0.062 4.285 4.340 0.011 0.000 0.199 377 Q C 1.872 177.938 176.000 0.111 0.000 0.950 377 Q CA 0.842 56.663 55.803 0.029 0.000 0.863 377 Q CB -0.933 27.919 28.738 0.190 0.000 0.944 377 Q HN 0.212 nan 8.270 nan 0.000 0.465 378 V N -1.537 118.468 119.914 0.151 0.000 2.719 378 V HA -0.019 4.108 4.120 0.011 0.000 0.252 378 V C 1.829 178.000 176.094 0.129 0.000 1.065 378 V CA 1.249 63.633 62.300 0.140 0.000 1.086 378 V CB -0.255 31.669 31.823 0.169 0.000 0.700 378 V HN 0.209 nan 8.190 nan 0.000 0.467 379 R N 0.780 121.321 120.500 0.068 0.000 2.100 379 R HA 0.021 4.367 4.340 0.011 0.000 0.220 379 R C 2.413 178.711 176.300 -0.002 0.000 1.091 379 R CA 1.354 57.462 56.100 0.014 0.000 0.986 379 R CB -0.381 29.918 30.300 -0.003 0.000 0.888 379 R HN 0.632 nan 8.270 nan 0.000 0.444 380 K N 0.356 120.770 120.400 0.024 0.000 2.097 380 K HA -0.210 4.116 4.320 0.011 0.000 0.206 380 K C 1.917 178.513 176.600 -0.006 0.000 1.049 380 K CA 1.348 57.640 56.287 0.009 0.000 0.933 380 K CB -0.213 32.307 32.500 0.034 0.000 0.717 380 K HN 0.097 nan 8.250 nan 0.000 0.442 381 Y N 0.564 120.820 120.300 -0.074 0.000 2.263 381 Y HA 0.004 4.560 4.550 0.011 0.000 0.292 381 Y C 1.996 177.822 175.900 -0.123 0.000 1.130 381 Y CA 1.197 59.244 58.100 -0.088 0.000 1.179 381 Y CB -0.283 38.131 38.460 -0.077 0.000 0.998 381 Y HN 0.166 nan 8.280 nan 0.000 0.532 382 A N -0.790 121.957 122.820 -0.122 0.000 1.930 382 A HA -0.095 4.231 4.320 0.011 0.000 0.217 382 A C 2.232 179.625 177.584 -0.317 0.000 1.175 382 A CA 1.787 53.692 52.037 -0.219 0.000 0.627 382 A CB -1.139 17.779 19.000 -0.136 0.000 0.815 382 A HN 0.309 nan 8.150 nan 0.000 0.443 383 V N 0.820 120.553 119.914 -0.302 0.000 2.548 383 V HA -0.180 3.946 4.120 0.011 0.000 0.249 383 V C 2.923 178.692 176.094 -0.542 0.000 1.055 383 V CA 2.116 64.148 62.300 -0.447 0.000 1.065 383 V CB -0.619 31.008 31.823 -0.326 0.000 0.681 383 V HN 0.805 nan 8.190 nan 0.000 0.462 384 S N 0.159 115.617 115.700 -0.404 0.000 2.406 384 S HA -0.146 4.331 4.470 0.011 0.000 0.228 384 S C 2.089 176.463 174.600 -0.376 0.000 1.020 384 S CA 0.604 58.594 58.200 -0.349 0.000 0.965 384 S CB -0.273 62.764 63.200 -0.272 0.000 0.798 384 S HN 0.398 nan 8.310 nan 0.000 0.488 385 R N 1.318 121.540 120.500 -0.463 0.000 2.090 385 R HA 0.288 4.634 4.340 0.011 0.000 0.228 385 R C 2.275 178.421 176.300 -0.256 0.000 1.110 385 R CA 0.834 56.707 56.100 -0.379 0.000 0.973 385 R CB -1.311 28.734 30.300 -0.425 0.000 0.869 385 R HN 0.471 nan 8.270 nan 0.000 0.440 386 L N -0.060 120.976 121.223 -0.311 0.000 2.109 386 L HA -0.003 4.343 4.340 0.011 0.000 0.207 386 L C 2.406 179.193 176.870 -0.140 0.000 1.086 386 L CA 1.096 55.810 54.840 -0.210 0.000 0.760 386 L CB -0.629 41.238 42.059 -0.319 0.000 0.910 386 L HN 0.104 nan 8.230 nan 0.000 0.437 387 A N -0.729 121.896 122.820 -0.326 0.000 2.024 387 A HA -0.253 4.073 4.320 0.011 0.000 0.220 387 A C 2.265 179.860 177.584 0.019 0.000 1.164 387 A CA 1.507 53.499 52.037 -0.075 0.000 0.643 387 A CB -0.432 18.475 19.000 -0.155 0.000 0.806 387 A HN 0.445 nan 8.150 nan 0.000 0.451 388 Q N -0.447 119.323 119.800 -0.051 0.000 2.245 388 Q HA 0.128 4.474 4.340 0.011 0.000 0.201 388 Q C 1.083 177.090 176.000 0.011 0.000 0.955 388 Q CA 0.577 56.366 55.803 -0.024 0.000 0.870 388 Q CB -0.233 28.472 28.738 -0.056 0.000 0.945 388 Q HN 0.621 nan 8.270 nan 0.000 0.461 389 A N 2.999 125.833 122.820 0.023 0.000 2.483 389 A HA 0.227 4.553 4.320 0.011 0.000 0.238 389 A C -2.153 175.470 177.584 0.064 0.000 1.070 389 A CA -0.885 51.184 52.037 0.054 0.000 0.770 389 A CB -0.232 18.819 19.000 0.085 0.000 1.008 389 A HN 0.178 nan 8.150 nan 0.000 0.497 390 P HA 0.233 nan 4.420 nan 0.000 0.277 390 P C -0.529 176.785 177.300 0.024 0.000 1.240 390 P CA -0.355 62.764 63.100 0.032 0.000 0.798 390 P CB 0.736 32.447 31.700 0.018 0.000 0.979 391 D N 0.822 121.228 120.400 0.010 0.000 2.158 391 D HA -0.191 4.456 4.640 0.011 0.000 0.197 391 D C 1.596 177.877 176.300 -0.033 0.000 0.995 391 D CA 1.618 55.612 54.000 -0.008 0.000 0.846 391 D CB -0.357 40.437 40.800 -0.012 0.000 0.941 391 D HN 0.565 nan 8.370 nan 0.000 0.456 392 E N 0.058 120.235 120.200 -0.039 0.000 2.110 392 E HA -0.160 4.196 4.350 0.011 0.000 0.193 392 E C 1.318 177.843 176.600 -0.125 0.000 0.988 392 E CA 1.117 57.474 56.400 -0.072 0.000 0.804 392 E CB -0.007 29.659 29.700 -0.056 0.000 0.745 392 E HN 0.287 nan 8.360 nan 0.000 0.458 393 D N -0.030 120.308 120.400 -0.104 0.000 2.194 393 D HA -0.086 4.560 4.640 0.011 0.000 0.204 393 D C 1.569 177.733 176.300 -0.226 0.000 0.964 393 D CA 0.361 54.254 54.000 -0.179 0.000 0.846 393 D CB 0.102 40.894 40.800 -0.014 0.000 0.962 393 D HN -0.003 nan 8.370 nan 0.000 0.490 394 L N 0.260 121.451 121.223 -0.052 0.000 2.217 394 L HA 0.061 4.407 4.340 0.011 0.000 0.211 394 L C 1.827 178.678 176.870 -0.031 0.000 1.107 394 L CA 1.002 55.867 54.840 0.041 0.000 0.783 394 L CB -0.212 41.881 42.059 0.056 0.000 0.919 394 L HN 0.109 nan 8.230 nan 0.000 0.442 395 L N -1.835 119.320 121.223 -0.112 0.000 2.109 395 L HA -0.158 4.188 4.340 0.011 0.000 0.207 395 L C 2.339 179.104 176.870 -0.174 0.000 1.086 395 L CA 0.908 55.669 54.840 -0.131 0.000 0.760 395 L CB -0.063 41.890 42.059 -0.177 0.000 0.910 395 L HN 0.232 nan 8.230 nan 0.000 0.437 396 L N -1.300 119.741 121.223 -0.304 0.000 2.046 396 L HA -0.265 4.081 4.340 0.011 0.000 0.208 396 L C 2.168 178.880 176.870 -0.264 0.000 1.077 396 L CA 1.430 56.042 54.840 -0.380 0.000 0.747 396 L CB -0.237 41.418 42.059 -0.674 0.000 0.896 396 L HN 0.304 nan 8.230 nan 0.000 0.432 397 Y N -1.988 118.298 120.300 -0.024 0.000 2.490 397 Y HA -0.097 4.459 4.550 0.010 0.000 0.285 397 Y C 1.946 177.845 175.900 -0.000 0.000 1.117 397 Y CA -0.219 57.869 58.100 -0.019 0.000 1.262 397 Y CB -0.558 37.897 38.460 -0.009 0.000 1.043 397 Y HN 0.060 nan 8.280 nan 0.000 0.553 398 L N 0.443 121.756 121.223 0.151 0.000 2.103 398 L HA -0.251 4.095 4.340 0.011 0.000 0.215 398 L C 2.186 179.154 176.870 0.163 0.000 1.080 398 L CA 1.526 56.476 54.840 0.184 0.000 0.764 398 L CB -1.153 41.043 42.059 0.228 0.000 0.890 398 L HN 0.301 nan 8.230 nan 0.000 0.435 399 L N -0.881 120.363 121.223 0.034 0.000 2.079 399 L HA -0.235 4.111 4.340 0.011 0.000 0.210 399 L C 2.368 179.151 176.870 -0.145 0.000 1.081 399 L CA 1.783 56.455 54.840 -0.281 0.000 0.752 399 L CB -0.696 41.143 42.059 -0.366 0.000 0.896 399 L HN 0.371 nan 8.230 nan 0.000 0.433 400 Q N -0.989 118.789 119.800 -0.036 0.000 2.187 400 Q HA 0.031 4.378 4.340 0.011 0.000 0.199 400 Q C 2.152 178.169 176.000 0.027 0.000 0.957 400 Q CA 1.244 57.037 55.803 -0.016 0.000 0.857 400 Q CB -0.207 28.535 28.738 0.008 0.000 0.929 400 Q HN 0.514 nan 8.270 nan 0.000 0.453 401 L N -0.754 120.512 121.223 0.072 0.000 2.141 401 L HA -0.102 4.244 4.340 0.011 0.000 0.209 401 L C 1.943 178.883 176.870 0.116 0.000 1.094 401 L CA 0.650 55.547 54.840 0.096 0.000 0.763 401 L CB -0.458 41.675 42.059 0.125 0.000 0.908 401 L HN 0.089 nan 8.230 nan 0.000 0.437 402 V N -0.586 119.408 119.914 0.132 0.000 2.427 402 V HA -0.209 3.917 4.120 0.011 0.000 0.248 402 V C 2.529 178.721 176.094 0.163 0.000 1.051 402 V CA 1.324 63.738 62.300 0.191 0.000 1.048 402 V CB -0.404 31.511 31.823 0.152 0.000 0.666 402 V HN 0.457 nan 8.190 nan 0.000 0.456 403 Q N -0.042 119.785 119.800 0.044 0.000 2.172 403 Q HA 0.025 4.372 4.340 0.011 0.000 0.200 403 Q C 2.449 178.368 176.000 -0.134 0.000 0.964 403 Q CA 1.539 57.330 55.803 -0.020 0.000 0.855 403 Q CB -0.678 28.029 28.738 -0.052 0.000 0.918 403 Q HN 0.619 nan 8.270 nan 0.000 0.444 404 A N 1.176 123.981 122.820 -0.025 0.000 1.978 404 A HA -0.149 4.177 4.320 0.011 0.000 0.220 404 A C 2.176 179.717 177.584 -0.072 0.000 1.170 404 A CA 0.931 52.981 52.037 0.021 0.000 0.636 404 A CB -0.737 18.307 19.000 0.073 0.000 0.810 404 A HN 0.323 nan 8.150 nan 0.000 0.448 405 L N -0.875 120.311 121.223 -0.061 0.000 2.129 405 L HA -0.245 4.102 4.340 0.011 0.000 0.212 405 L C 2.476 179.196 176.870 -0.251 0.000 1.087 405 L CA 1.799 56.579 54.840 -0.101 0.000 0.757 405 L CB -0.457 41.576 42.059 -0.044 0.000 0.896 405 L HN 0.451 nan 8.230 nan 0.000 0.434 406 K N -0.900 119.255 120.400 -0.410 0.000 2.209 406 K HA -0.183 4.144 4.320 0.011 0.000 0.204 406 K C 1.781 178.174 176.600 -0.346 0.000 1.048 406 K CA 1.281 57.273 56.287 -0.491 0.000 0.940 406 K CB -0.053 32.047 32.500 -0.666 0.000 0.729 406 K HN 0.261 nan 8.250 nan 0.000 0.451 407 Y N 1.122 121.381 120.300 -0.068 0.000 2.517 407 Y HA 0.130 4.687 4.550 0.011 0.000 0.281 407 Y C 0.736 176.583 175.900 -0.089 0.000 1.125 407 Y CA -0.150 57.913 58.100 -0.060 0.000 1.283 407 Y CB -0.090 38.345 38.460 -0.042 0.000 1.042 407 Y HN -0.040 nan 8.280 nan 0.000 0.547 408 E N 1.126 121.316 120.200 -0.017 0.000 2.390 408 E HA -0.001 4.355 4.350 0.011 0.000 0.261 408 E C -0.629 175.858 176.600 -0.188 0.000 1.076 408 E CA -0.379 55.931 56.400 -0.150 0.000 0.905 408 E CB 0.503 30.077 29.700 -0.210 0.000 0.984 408 E HN 0.091 nan 8.360 nan 0.000 0.427 409 D N 2.921 123.125 120.400 -0.327 0.000 2.487 409 D HA -0.023 4.624 4.640 0.011 0.000 0.243 409 D C -1.571 174.717 176.300 -0.019 0.000 1.154 409 D CA -1.242 52.691 54.000 -0.111 0.000 0.876 409 D CB 0.605 41.509 40.800 0.173 0.000 1.161 409 D HN 0.169 nan 8.370 nan 0.000 0.478 410 P HA -0.121 nan 4.420 nan 0.000 0.218 410 P C 1.389 178.749 177.300 0.101 0.000 1.148 410 P CA 0.843 63.960 63.100 0.029 0.000 0.822 410 P CB 0.377 32.081 31.700 0.007 0.000 0.784 411 R N -0.312 120.286 120.500 0.162 0.000 2.091 411 R HA -0.152 4.194 4.340 0.011 0.000 0.238 411 R C 2.312 178.714 176.300 0.170 0.000 1.136 411 R CA 1.670 57.848 56.100 0.131 0.000 0.959 411 R CB -1.449 28.884 30.300 0.055 0.000 0.856 411 R HN 0.419 nan 8.270 nan 0.000 0.437 412 H N -1.097 117.989 119.070 0.026 0.000 2.387 412 H HA -0.117 4.445 4.556 0.010 0.000 0.299 412 H C 2.007 177.386 175.328 0.085 0.000 1.099 412 H CA 1.469 57.550 56.048 0.056 0.000 1.315 412 H CB -0.060 29.723 29.762 0.035 0.000 1.380 412 H HN 0.223 nan 8.280 nan 0.000 0.513 413 I N 0.509 121.199 120.570 0.201 0.000 2.480 413 I HA -0.161 4.015 4.170 0.011 0.000 0.251 413 I C 2.244 178.435 176.117 0.122 0.000 1.124 413 I CA 0.381 61.754 61.300 0.123 0.000 1.444 413 I CB 0.181 38.210 38.000 0.048 0.000 1.098 413 I HN 0.012 nan 8.210 nan 0.000 0.428 414 V N -0.170 119.809 119.914 0.109 0.000 2.591 414 V HA -0.245 3.881 4.120 0.011 0.000 0.249 414 V C 2.360 178.514 176.094 0.099 0.000 1.053 414 V CA 1.601 63.938 62.300 0.061 0.000 1.068 414 V CB -0.906 30.923 31.823 0.010 0.000 0.689 414 V HN 0.508 nan 8.190 nan 0.000 0.462 415 H N -0.365 118.731 119.070 0.043 0.000 2.428 415 H HA 0.026 4.589 4.556 0.011 0.000 0.296 415 H C 2.271 177.646 175.328 0.078 0.000 1.062 415 H CA 1.212 57.284 56.048 0.039 0.000 1.350 415 H CB 0.363 30.134 29.762 0.015 0.000 1.403 415 H HN 0.313 nan 8.280 nan 0.000 0.533 416 L N 0.556 121.856 121.223 0.128 0.000 2.109 416 L HA -0.154 4.192 4.340 0.011 0.000 0.207 416 L C 2.672 179.611 176.870 0.115 0.000 1.086 416 L CA 1.121 56.021 54.840 0.101 0.000 0.760 416 L CB -0.583 41.556 42.059 0.132 0.000 0.910 416 L HN 0.383 nan 8.230 nan 0.000 0.437 417 H N 0.042 119.100 119.070 -0.020 0.000 2.387 417 H HA -0.121 4.441 4.556 0.011 0.000 0.299 417 H C 1.834 177.120 175.328 -0.070 0.000 1.090 417 H CA 1.680 57.656 56.048 -0.119 0.000 1.332 417 H CB -0.213 29.415 29.762 -0.222 0.000 1.386 417 H HN 0.348 nan 8.280 nan 0.000 0.516 418 G N -0.241 108.661 108.800 0.170 0.000 2.408 418 G HA2 -0.253 3.714 3.960 0.011 0.000 0.217 418 G HA3 -0.253 3.714 3.960 0.011 0.000 0.217 418 G C 2.239 177.181 174.900 0.071 0.000 1.150 418 G CA 0.849 45.993 45.100 0.074 0.000 0.776 418 G HN 0.598 nan 8.290 nan 0.000 0.542 419 C N 0.140 119.442 119.300 0.003 0.000 2.450 419 C HA 0.213 4.679 4.460 0.011 0.000 0.279 419 C C 2.764 177.806 174.990 0.086 0.000 1.335 419 C CA 0.623 59.639 59.018 -0.004 0.000 1.749 419 C CB -0.888 26.827 27.740 -0.041 0.000 1.963 419 C HN 0.421 nan 8.230 nan 0.000 0.501 420 I N -0.715 119.977 120.570 0.204 0.000 2.852 420 I HA 0.184 4.360 4.170 0.011 0.000 0.264 420 I C 0.555 176.776 176.117 0.174 0.000 1.179 420 I CA 0.422 61.842 61.300 0.199 0.000 1.480 420 I CB -0.183 37.983 38.000 0.277 0.000 1.111 420 I HN 0.164 nan 8.210 nan 0.000 0.441 533 L N 1.239 122.506 121.223 0.073 0.000 2.043 533 L HA -0.179 4.168 4.340 0.011 0.000 0.212 533 L C 2.370 179.351 176.870 0.185 0.000 1.075 533 L CA 2.301 57.214 54.840 0.120 0.000 0.752 533 L CB -0.287 41.802 42.059 0.050 0.000 0.891 533 L HN 0.608 nan 8.230 nan 0.000 0.432 534 C N -0.203 119.169 119.300 0.121 0.000 2.466 534 C HA -0.099 4.367 4.460 0.011 0.000 0.278 534 C C 3.005 178.065 174.990 0.117 0.000 1.288 534 C CA 1.226 60.312 59.018 0.113 0.000 1.722 534 C CB -1.226 26.571 27.740 0.094 0.000 2.017 534 C HN 0.768 nan 8.230 nan 0.000 0.488 535 T N -1.352 113.284 114.554 0.136 0.000 2.867 535 T HA -0.162 4.194 4.350 0.011 0.000 0.268 535 T C 1.634 176.398 174.700 0.107 0.000 1.057 535 T CA 1.663 63.838 62.100 0.125 0.000 1.136 535 T CB -0.898 68.049 68.868 0.132 0.000 0.874 535 T HN 0.680 nan 8.240 nan 0.000 0.466 536 F N 1.797 121.738 119.950 -0.015 0.000 2.146 536 F HA 0.170 4.704 4.527 0.012 0.000 0.298 536 F C 1.987 177.717 175.800 -0.116 0.000 1.096 536 F CA 0.878 58.849 58.000 -0.049 0.000 1.275 536 F CB -0.255 38.715 39.000 -0.050 0.000 1.008 536 F HN 0.024 nan 8.300 nan 0.000 0.480 537 L N 0.201 121.213 121.223 -0.351 0.000 2.056 537 L HA -0.212 4.134 4.340 0.011 0.000 0.207 537 L C 2.477 178.877 176.870 -0.784 0.000 1.078 537 L CA 1.335 55.742 54.840 -0.722 0.000 0.749 537 L CB -0.639 41.061 42.059 -0.598 0.000 0.901 537 L HN 0.238 nan 8.230 nan 0.000 0.433 538 I N -0.659 119.692 120.570 -0.366 0.000 2.252 538 I HA -0.312 3.864 4.170 0.011 0.000 0.245 538 I C 2.670 178.745 176.117 -0.069 0.000 1.102 538 I CA 1.252 62.492 61.300 -0.100 0.000 1.385 538 I CB -0.167 37.942 38.000 0.183 0.000 1.064 538 I HN 0.365 nan 8.210 nan 0.000 0.414 539 Q N 0.463 120.186 119.800 -0.128 0.000 2.119 539 Q HA -0.168 4.178 4.340 0.011 0.000 0.201 539 Q C 2.398 178.312 176.000 -0.143 0.000 0.972 539 Q CA 1.287 57.047 55.803 -0.071 0.000 0.847 539 Q CB 0.136 28.854 28.738 -0.034 0.000 0.903 539 Q HN 0.353 nan 8.270 nan 0.000 0.433 540 R N -0.771 119.516 120.500 -0.354 0.000 2.093 540 R HA 0.022 4.368 4.340 0.011 0.000 0.224 540 R C 2.134 178.293 176.300 -0.234 0.000 1.101 540 R CA 0.821 56.709 56.100 -0.353 0.000 0.979 540 R CB -0.084 29.834 30.300 -0.637 0.000 0.877 540 R HN 0.211 nan 8.270 nan 0.000 0.441 541 A N 0.396 123.046 122.820 -0.284 0.000 1.972 541 A HA -0.172 4.154 4.320 0.011 0.000 0.219 541 A C 2.289 179.955 177.584 0.138 0.000 1.169 541 A CA 1.334 53.300 52.037 -0.119 0.000 0.635 541 A CB -0.668 18.166 19.000 -0.278 0.000 0.810 541 A HN 0.439 nan 8.150 nan 0.000 0.446 542 C N -0.950 118.452 119.300 0.168 0.000 2.432 542 C HA -0.020 4.447 4.460 0.011 0.000 0.282 542 C C 2.797 177.831 174.990 0.073 0.000 1.388 542 C CA 1.349 60.465 59.018 0.164 0.000 1.777 542 C CB -1.443 26.375 27.740 0.130 0.000 1.882 542 C HN 0.648 nan 8.230 nan 0.000 0.520 543 T N 0.441 115.013 114.554 0.029 0.000 2.985 543 T HA -0.042 4.314 4.350 0.011 0.000 0.266 543 T C 0.633 175.345 174.700 0.021 0.000 1.076 543 T CA 1.026 63.134 62.100 0.012 0.000 1.135 543 T CB -0.179 68.679 68.868 -0.017 0.000 0.890 543 T HN 0.594 nan 8.240 nan 0.000 0.480 544 N N 0.010 118.726 118.700 0.026 0.000 2.454 544 N HA 0.429 5.175 4.740 0.011 0.000 0.291 544 N C 0.467 176.006 175.510 0.050 0.000 1.079 544 N CA -0.062 53.005 53.050 0.028 0.000 0.893 544 N CB 1.825 40.318 38.487 0.010 0.000 1.512 544 N HN -0.018 nan 8.380 nan 0.000 0.497 545 A N 2.486 125.333 122.820 0.044 0.000 1.933 545 A HA -0.129 4.198 4.320 0.011 0.000 0.218 545 A C 1.966 179.572 177.584 0.037 0.000 1.175 545 A CA 2.456 54.517 52.037 0.040 0.000 0.628 545 A CB -0.868 18.142 19.000 0.016 0.000 0.814 545 A HN 0.839 nan 8.150 nan 0.000 0.444 546 T N -1.676 112.905 114.554 0.045 0.000 2.857 546 T HA 0.000 4.357 4.350 0.011 0.000 0.266 546 T C 1.854 176.665 174.700 0.185 0.000 1.048 546 T CA 1.205 63.355 62.100 0.082 0.000 1.139 546 T CB -0.396 68.540 68.868 0.113 0.000 0.874 546 T HN 0.288 nan 8.240 nan 0.000 0.455 547 L N 0.639 121.947 121.223 0.141 0.000 2.083 547 L HA 0.009 4.356 4.340 0.011 0.000 0.209 547 L C 3.263 180.230 176.870 0.162 0.000 1.083 547 L CA 1.487 56.407 54.840 0.133 0.000 0.752 547 L CB -0.863 41.205 42.059 0.015 0.000 0.899 547 L HN 0.474 nan 8.230 nan 0.000 0.433 548 A N 0.126 123.053 122.820 0.178 0.000 1.933 548 A HA -0.289 4.038 4.320 0.011 0.000 0.218 548 A C 1.966 179.710 177.584 0.267 0.000 1.175 548 A CA 2.153 54.393 52.037 0.338 0.000 0.628 548 A CB -0.832 18.372 19.000 0.340 0.000 0.814 548 A HN 0.571 nan 8.150 nan 0.000 0.444 549 N N -2.004 116.745 118.700 0.082 0.000 2.120 549 N HA -0.196 4.550 4.740 0.011 0.000 0.188 549 N C 1.551 176.984 175.510 -0.130 0.000 1.024 549 N CA 1.789 54.789 53.050 -0.083 0.000 0.852 549 N CB -0.302 38.022 38.487 -0.273 0.000 1.003 549 N HN 0.516 nan 8.380 nan 0.000 0.424 550 Y N -1.030 119.263 120.300 -0.012 0.000 2.286 550 Y HA 0.035 4.593 4.550 0.013 0.000 0.293 550 Y C 1.820 177.497 175.900 -0.372 0.000 1.124 550 Y CA 0.615 58.526 58.100 -0.315 0.000 1.178 550 Y CB -0.440 37.809 38.460 -0.351 0.000 1.010 550 Y HN 0.123 nan 8.280 nan 0.000 0.536 551 F N -0.400 119.485 119.950 -0.108 0.000 2.134 551 F HA -0.279 4.255 4.527 0.011 0.000 0.299 551 F C 2.354 178.089 175.800 -0.107 0.000 1.097 551 F CA 1.241 59.158 58.000 -0.138 0.000 1.264 551 F CB -1.152 37.666 39.000 -0.303 0.000 1.001 551 F HN 0.191 nan 8.300 nan 0.000 0.479 552 Y N -1.194 118.998 120.300 -0.180 0.000 2.181 552 Y HA -0.249 4.306 4.550 0.009 0.000 0.288 552 Y C 2.117 177.794 175.900 -0.370 0.000 1.146 552 Y CA 2.013 59.929 58.100 -0.305 0.000 1.164 552 Y CB -0.795 37.478 38.460 -0.313 0.000 0.982 552 Y HN 0.081 nan 8.280 nan 0.000 0.515 553 W N -1.304 120.105 121.300 0.183 0.000 2.436 553 W HA -0.171 4.495 4.660 0.010 0.000 0.284 553 W C 1.857 178.430 176.519 0.090 0.000 1.225 553 W CA 0.661 58.105 57.345 0.165 0.000 1.271 553 W CB -0.352 29.125 29.460 0.029 0.000 1.114 553 W HN 0.113 nan 8.180 nan 0.000 0.559 554 Y N -0.101 120.291 120.300 0.155 0.000 2.263 554 Y HA -0.107 4.449 4.550 0.011 0.000 0.292 554 Y C 2.192 177.963 175.900 -0.215 0.000 1.130 554 Y CA 0.652 58.754 58.100 0.004 0.000 1.179 554 Y CB -1.300 37.184 38.460 0.039 0.000 0.998 554 Y HN -0.058 nan 8.280 nan 0.000 0.532 555 L N -1.295 119.813 121.223 -0.192 0.000 2.109 555 L HA -0.169 4.177 4.340 0.011 0.000 0.207 555 L C 2.328 178.965 176.870 -0.387 0.000 1.086 555 L CA 1.192 55.784 54.840 -0.413 0.000 0.760 555 L CB -0.490 41.212 42.059 -0.595 0.000 0.910 555 L HN 0.052 nan 8.230 nan 0.000 0.437 556 S N 0.114 115.597 115.700 -0.363 0.000 2.387 556 S HA -0.064 4.412 4.470 0.011 0.000 0.226 556 S C 1.907 176.431 174.600 -0.127 0.000 1.026 556 S CA 1.039 59.067 58.200 -0.287 0.000 0.972 556 S CB -0.187 62.865 63.200 -0.246 0.000 0.814 556 S HN 0.333 nan 8.310 nan 0.000 0.477 557 I N 1.293 121.833 120.570 -0.050 0.000 2.394 557 I HA -0.103 4.074 4.170 0.011 0.000 0.251 557 I C 2.322 178.352 176.117 -0.146 0.000 1.136 557 I CA 0.976 62.253 61.300 -0.038 0.000 1.425 557 I CB -0.371 37.630 38.000 0.002 0.000 1.079 557 I HN 0.111 nan 8.210 nan 0.000 0.425 558 E N 0.761 120.799 120.200 -0.270 0.000 2.158 558 E HA -0.052 4.304 4.350 0.011 0.000 0.191 558 E C 2.453 178.874 176.600 -0.299 0.000 0.982 558 E CA 0.803 56.963 56.400 -0.400 0.000 0.823 558 E CB -0.110 29.016 29.700 -0.957 0.000 0.766 558 E HN 0.330 nan 8.360 nan 0.000 0.468 559 V N 1.769 121.504 119.914 -0.298 0.000 2.379 559 V HA -0.119 4.007 4.120 0.011 0.000 0.243 559 V C 1.242 177.094 176.094 -0.404 0.000 1.035 559 V CA 0.796 62.867 62.300 -0.382 0.000 1.035 559 V CB -0.453 31.197 31.823 -0.290 0.000 0.673 559 V HN 0.336 nan 8.190 nan 0.000 0.457 560 E N 1.634 121.719 120.200 -0.192 0.000 2.508 560 E HA -0.106 4.250 4.350 0.011 0.000 0.266 560 E C -0.052 176.536 176.600 -0.019 0.000 1.010 560 E CA -0.241 56.114 56.400 -0.076 0.000 0.955 560 E CB 0.317 29.999 29.700 -0.030 0.000 0.946 560 E HN 0.572 nan 8.360 nan 0.000 0.454 568 Q N 1.070 120.874 119.800 0.006 0.000 2.376 568 Q HA 0.141 4.487 4.340 0.011 0.000 0.206 568 Q C 0.914 176.924 176.000 0.015 0.000 0.921 568 Q CA 1.537 57.345 55.803 0.008 0.000 0.911 568 Q CB 0.138 28.884 28.738 0.015 0.000 1.032 568 Q HN 0.430 nan 8.270 nan 0.000 0.510 569 D N 0.601 121.015 120.400 0.023 0.000 2.104 569 D HA -0.185 4.461 4.640 0.011 0.000 0.194 569 D C 1.343 177.674 176.300 0.052 0.000 0.994 569 D CA 1.303 55.331 54.000 0.047 0.000 0.830 569 D CB 0.006 40.833 40.800 0.044 0.000 0.959 569 D HN 0.434 nan 8.370 nan 0.000 0.452 570 E N 0.346 120.549 120.200 0.005 0.000 2.147 570 E HA -0.204 4.153 4.350 0.011 0.000 0.199 570 E C 2.168 178.752 176.600 -0.028 0.000 1.005 570 E CA 0.853 57.224 56.400 -0.049 0.000 0.810 570 E CB 0.046 29.706 29.700 -0.067 0.000 0.736 570 E HN 0.199 nan 8.360 nan 0.000 0.460 571 R N 0.223 120.718 120.500 -0.008 0.000 2.073 571 R HA 0.016 4.363 4.340 0.011 0.000 0.229 571 R C 2.255 178.552 176.300 -0.006 0.000 1.120 571 R CA 1.171 57.262 56.100 -0.014 0.000 0.967 571 R CB -0.625 29.664 30.300 -0.019 0.000 0.862 571 R HN 0.167 nan 8.270 nan 0.000 0.436 572 A N 0.701 123.529 122.820 0.013 0.000 1.929 572 A HA -0.180 4.146 4.320 0.011 0.000 0.216 572 A C 2.081 179.726 177.584 0.102 0.000 1.176 572 A CA 1.573 53.601 52.037 -0.015 0.000 0.628 572 A CB -0.747 18.270 19.000 0.029 0.000 0.816 572 A HN 0.583 nan 8.150 nan 0.000 0.444 573 H N -0.548 118.560 119.070 0.064 0.000 2.321 573 H HA -0.133 4.429 4.556 0.010 0.000 0.300 573 H C 1.499 176.864 175.328 0.062 0.000 1.087 573 H CA 1.430 57.544 56.048 0.110 0.000 1.319 573 H CB -0.070 29.727 29.762 0.058 0.000 1.379 573 H HN 0.364 nan 8.280 nan 0.000 0.501 574 D N 0.622 121.229 120.400 0.345 0.000 2.178 574 D HA -0.173 4.473 4.640 0.011 0.000 0.201 574 D C 2.217 178.576 176.300 0.099 0.000 0.980 574 D CA 1.045 55.180 54.000 0.225 0.000 0.842 574 D CB -0.135 40.696 40.800 0.051 0.000 0.948 574 D HN 0.486 nan 8.370 nan 0.000 0.472 575 M N -0.375 119.222 119.600 -0.004 0.000 2.200 575 M HA -0.163 4.323 4.480 0.011 0.000 0.265 575 M C 1.679 177.903 176.300 -0.128 0.000 1.066 575 M CA 1.298 56.525 55.300 -0.122 0.000 1.127 575 M CB -0.452 31.986 32.600 -0.270 0.000 1.379 575 M HN 0.026 nan 8.290 nan 0.000 0.420 576 Y N 0.192 120.472 120.300 -0.033 0.000 2.314 576 Y HA -0.068 4.488 4.550 0.010 0.000 0.293 576 Y C 2.585 178.417 175.900 -0.113 0.000 1.129 576 Y CA 1.098 59.141 58.100 -0.095 0.000 1.201 576 Y CB -0.347 38.031 38.460 -0.137 0.000 0.999 576 Y HN 0.413 nan 8.280 nan 0.000 0.541 577 A N -0.210 122.648 122.820 0.064 0.000 1.933 577 A HA -0.251 4.076 4.320 0.011 0.000 0.218 577 A C 2.158 179.752 177.584 0.016 0.000 1.175 577 A CA 1.807 53.849 52.037 0.009 0.000 0.628 577 A CB -0.663 18.383 19.000 0.076 0.000 0.814 577 A HN 0.533 nan 8.150 nan 0.000 0.444 578 M N -0.496 119.120 119.600 0.026 0.000 2.200 578 M HA -0.066 4.420 4.480 0.011 0.000 0.265 578 M C 1.749 178.047 176.300 -0.003 0.000 1.066 578 M CA 1.304 56.610 55.300 0.010 0.000 1.127 578 M CB -0.025 32.597 32.600 0.037 0.000 1.379 578 M HN 0.198 nan 8.290 nan 0.000 0.420 579 V N 0.009 119.934 119.914 0.019 0.000 2.453 579 V HA -0.242 3.884 4.120 0.011 0.000 0.247 579 V C 2.260 178.382 176.094 0.046 0.000 1.048 579 V CA 1.430 63.758 62.300 0.047 0.000 1.049 579 V CB -0.914 30.945 31.823 0.059 0.000 0.672 579 V HN 0.524 nan 8.190 nan 0.000 0.457 580 L N -0.415 120.801 121.223 -0.012 0.000 2.093 580 L HA -0.151 4.195 4.340 0.011 0.000 0.208 580 L C 2.546 179.450 176.870 0.056 0.000 1.085 580 L CA 1.600 56.419 54.840 -0.035 0.000 0.755 580 L CB -0.169 41.803 42.059 -0.145 0.000 0.904 580 L HN 0.288 nan 8.230 nan 0.000 0.435 581 K N -0.762 119.666 120.400 0.046 0.000 2.155 581 K HA -0.061 4.266 4.320 0.011 0.000 0.203 581 K C 1.956 178.669 176.600 0.188 0.000 1.052 581 K CA 1.275 57.620 56.287 0.097 0.000 0.948 581 K CB -0.082 32.445 32.500 0.046 0.000 0.728 581 K HN 0.231 nan 8.250 nan 0.000 0.448 582 M N -1.128 118.561 119.600 0.149 0.000 2.193 582 M HA -0.043 4.443 4.480 0.011 0.000 0.265 582 M C 1.672 178.111 176.300 0.233 0.000 1.071 582 M CA 1.121 56.550 55.300 0.215 0.000 1.140 582 M CB -0.150 32.532 32.600 0.137 0.000 1.369 582 M HN 0.074 nan 8.290 nan 0.000 0.423 583 F N 1.277 121.271 119.950 0.073 0.000 2.186 583 F HA -0.118 4.418 4.527 0.014 0.000 0.299 583 F C 1.787 177.631 175.800 0.073 0.000 1.090 583 F CA 1.430 59.488 58.000 0.096 0.000 1.307 583 F CB -0.373 38.680 39.000 0.088 0.000 1.019 583 F HN -0.021 nan 8.300 nan 0.000 0.489 584 L N -0.240 120.970 121.223 -0.022 0.000 2.156 584 L HA -0.135 4.211 4.340 0.011 0.000 0.208 584 L C 2.309 179.070 176.870 -0.182 0.000 1.095 584 L CA 1.113 55.888 54.840 -0.108 0.000 0.770 584 L CB -0.520 41.578 42.059 0.065 0.000 0.914 584 L HN 0.036 nan 8.230 nan 0.000 0.439 585 K N -0.070 120.260 120.400 -0.117 0.000 2.186 585 K HA -0.027 4.300 4.320 0.011 0.000 0.202 585 K C 1.777 178.237 176.600 -0.233 0.000 1.052 585 K CA 0.875 57.032 56.287 -0.217 0.000 0.965 585 K CB -0.148 32.203 32.500 -0.248 0.000 0.746 585 K HN -0.006 nan 8.250 nan 0.000 0.457 586 V N 0.972 120.803 119.914 -0.138 0.000 2.427 586 V HA -0.165 3.962 4.120 0.011 0.000 0.248 586 V C 2.219 178.202 176.094 -0.185 0.000 1.051 586 V CA 1.398 63.632 62.300 -0.109 0.000 1.048 586 V CB -0.347 31.481 31.823 0.009 0.000 0.666 586 V HN 0.218 nan 8.190 nan 0.000 0.456 587 L N -0.509 120.551 121.223 -0.271 0.000 2.072 587 L HA -0.131 4.215 4.340 0.011 0.000 0.205 587 L C 2.594 179.237 176.870 -0.378 0.000 1.079 587 L CA 1.482 56.144 54.840 -0.298 0.000 0.752 587 L CB -0.506 41.343 42.059 -0.351 0.000 0.906 587 L HN 0.348 nan 8.230 nan 0.000 0.436 588 E N 0.004 119.850 120.200 -0.590 0.000 2.204 588 E HA -0.189 4.167 4.350 0.011 0.000 0.195 588 E C 1.388 177.717 176.600 -0.453 0.000 0.990 588 E CA 0.825 56.745 56.400 -0.800 0.000 0.821 588 E CB 0.072 29.254 29.700 -0.864 0.000 0.750 588 E HN 0.466 nan 8.360 nan 0.000 0.477 589 N N -0.615 117.885 118.700 -0.332 0.000 2.325 589 N HA 0.004 4.750 4.740 0.011 0.000 0.182 589 N C 1.152 176.548 175.510 -0.190 0.000 1.088 589 N CA 0.516 53.421 53.050 -0.242 0.000 0.879 589 N CB 0.428 38.788 38.487 -0.212 0.000 0.983 589 N HN 0.099 nan 8.380 nan 0.000 0.471 590 G N 1.014 109.709 108.800 -0.176 0.000 2.561 590 G HA2 -0.041 3.925 3.960 0.011 0.000 0.208 590 G HA3 -0.041 3.925 3.960 0.011 0.000 0.208 590 G C 0.859 175.682 174.900 -0.128 0.000 1.510 590 G CA 0.802 45.827 45.100 -0.124 0.000 0.941 590 G HN 0.489 nan 8.290 nan 0.000 0.478 591 N N -2.291 116.347 118.700 -0.104 0.000 2.517 591 N HA 0.314 5.060 4.740 0.011 0.000 0.121 591 N C 1.235 176.687 175.510 -0.096 0.000 1.776 591 N CA -0.471 52.484 53.050 -0.158 0.000 1.255 591 N CB 0.289 38.700 38.487 -0.127 0.000 0.954 591 N HN 0.201 nan 8.380 nan 0.000 0.414 592 F N -0.266 119.680 119.950 -0.006 0.000 2.559 592 F HA 0.343 4.875 4.527 0.007 0.000 0.286 592 F C 1.741 177.553 175.800 0.019 0.000 1.108 592 F CA -0.307 57.705 58.000 0.019 0.000 1.436 592 F CB 0.364 39.380 39.000 0.027 0.000 1.130 592 F HN 0.142 nan 8.300 nan 0.000 0.584 593 N N 0.474 119.293 118.700 0.198 0.000 2.354 593 N HA -0.006 4.740 4.740 0.011 0.000 0.179 593 N C 1.811 177.363 175.510 0.069 0.000 1.021 593 N CA 0.859 53.981 53.050 0.120 0.000 0.887 593 N CB 0.093 38.634 38.487 0.090 0.000 0.974 593 N HN 0.290 nan 8.380 nan 0.000 0.437 594 L N 0.460 121.702 121.223 0.031 0.000 2.202 594 L HA 0.098 4.444 4.340 0.011 0.000 0.205 594 L C 2.268 179.104 176.870 -0.057 0.000 1.083 594 L CA 0.469 55.296 54.840 -0.021 0.000 0.790 594 L CB -0.173 41.852 42.059 -0.057 0.000 0.942 594 L HN 0.057 nan 8.230 nan 0.000 0.452 595 R N 0.156 120.615 120.500 -0.068 0.000 2.092 595 R HA -0.068 4.279 4.340 0.011 0.000 0.231 595 R C 2.321 178.521 176.300 -0.166 0.000 1.119 595 R CA 1.164 57.140 56.100 -0.207 0.000 0.970 595 R CB -0.504 29.684 30.300 -0.187 0.000 0.864 595 R HN 0.357 nan 8.270 nan 0.000 0.440 596 G N 1.516 110.351 108.800 0.060 0.000 2.440 596 G HA2 -0.243 3.723 3.960 0.011 0.000 0.218 596 G HA3 -0.243 3.723 3.960 0.011 0.000 0.218 596 G C 1.454 176.414 174.900 0.101 0.000 1.154 596 G CA 0.612 45.813 45.100 0.169 0.000 0.767 596 G HN 0.169 nan 8.290 nan 0.000 0.552 597 I N -0.407 120.187 120.570 0.040 0.000 2.226 597 I HA -0.110 4.066 4.170 0.011 0.000 0.245 597 I C 2.430 178.527 176.117 -0.033 0.000 1.100 597 I CA 1.052 62.358 61.300 0.010 0.000 1.374 597 I CB -0.260 37.745 38.000 0.008 0.000 1.057 597 I HN 0.227 nan 8.210 nan 0.000 0.413 598 F N 1.091 120.910 119.950 -0.219 0.000 2.146 598 F HA -0.229 4.300 4.527 0.003 0.000 0.298 598 F C 2.308 178.010 175.800 -0.163 0.000 1.096 598 F CA 1.465 59.303 58.000 -0.270 0.000 1.275 598 F CB -0.555 38.212 39.000 -0.389 0.000 1.008 598 F HN -0.018 nan 8.300 nan 0.000 0.480 599 Y N 0.213 120.478 120.300 -0.058 0.000 2.224 599 Y HA -0.243 4.313 4.550 0.010 0.000 0.289 599 Y C 2.410 178.197 175.900 -0.189 0.000 1.146 599 Y CA 0.907 58.926 58.100 -0.134 0.000 1.182 599 Y CB -0.501 37.974 38.460 0.024 0.000 0.983 599 Y HN 0.090 nan 8.280 nan 0.000 0.524 600 N N 0.285 118.995 118.700 0.018 0.000 2.171 600 N HA -0.120 4.626 4.740 0.011 0.000 0.184 600 N C 1.801 177.224 175.510 -0.146 0.000 1.021 600 N CA 0.975 54.009 53.050 -0.027 0.000 0.854 600 N CB -0.368 38.116 38.487 -0.004 0.000 0.994 600 N HN 0.333 nan 8.380 nan 0.000 0.426 601 L N 0.672 121.738 121.223 -0.262 0.000 2.131 601 L HA -0.081 4.265 4.340 0.011 0.000 0.210 601 L C 2.596 179.215 176.870 -0.419 0.000 1.092 601 L CA 0.901 55.477 54.840 -0.440 0.000 0.759 601 L CB -0.165 41.554 42.059 -0.566 0.000 0.903 601 L HN 0.120 nan 8.230 nan 0.000 0.435 602 R N 0.127 120.395 120.500 -0.386 0.000 2.090 602 R HA -0.137 4.210 4.340 0.011 0.000 0.228 602 R C 2.275 178.496 176.300 -0.132 0.000 1.110 602 R CA 1.183 57.103 56.100 -0.301 0.000 0.973 602 R CB 0.062 30.157 30.300 -0.341 0.000 0.869 602 R HN 0.308 nan 8.270 nan 0.000 0.440 603 K N 0.142 120.487 120.400 -0.092 0.000 2.057 603 K HA -0.170 4.156 4.320 0.011 0.000 0.207 603 K C 2.198 178.810 176.600 0.020 0.000 1.049 603 K CA 1.549 57.824 56.287 -0.020 0.000 0.931 603 K CB -0.017 32.478 32.500 -0.008 0.000 0.714 603 K HN 0.266 nan 8.250 nan 0.000 0.440 604 Q N 0.238 120.032 119.800 -0.010 0.000 2.079 604 Q HA -0.159 4.187 4.340 0.011 0.000 0.200 604 Q C 2.166 178.304 176.000 0.230 0.000 0.974 604 Q CA 1.152 57.008 55.803 0.088 0.000 0.840 604 Q CB -0.127 28.680 28.738 0.114 0.000 0.898 604 Q HN 0.079 nan 8.270 nan 0.000 0.430 605 R N 1.362 121.931 120.500 0.115 0.000 2.081 605 R HA -0.103 4.243 4.340 0.011 0.000 0.235 605 R C 1.863 178.264 176.300 0.168 0.000 1.131 605 R CA 1.602 57.801 56.100 0.164 0.000 0.960 605 R CB -0.208 30.084 30.300 -0.013 0.000 0.856 605 R HN 0.031 nan 8.270 nan 0.000 0.436 606 R N -1.026 119.535 120.500 0.103 0.000 2.092 606 R HA -0.007 4.339 4.340 0.011 0.000 0.231 606 R C 2.045 178.399 176.300 0.090 0.000 1.119 606 R CA 1.631 57.777 56.100 0.077 0.000 0.970 606 R CB -0.616 29.708 30.300 0.041 0.000 0.864 606 R HN 0.321 nan 8.270 nan 0.000 0.440 607 F N 0.336 120.273 119.950 -0.021 0.000 2.206 607 F HA -0.085 4.446 4.527 0.008 0.000 0.298 607 F C 1.614 177.427 175.800 0.022 0.000 1.090 607 F CA 1.123 59.085 58.000 -0.063 0.000 1.323 607 F CB 0.086 39.014 39.000 -0.120 0.000 1.028 607 F HN -0.088 nan 8.300 nan 0.000 0.492 608 I N 0.280 121.008 120.570 0.264 0.000 2.394 608 I HA -0.216 3.960 4.170 0.011 0.000 0.251 608 I C 1.721 177.850 176.117 0.020 0.000 1.136 608 I CA 1.200 62.619 61.300 0.198 0.000 1.425 608 I CB -1.244 36.975 38.000 0.365 0.000 1.079 608 I HN 0.137 nan 8.210 nan 0.000 0.425 609 D N 0.779 121.216 120.400 0.063 0.000 2.149 609 D HA -0.134 4.512 4.640 0.011 0.000 0.201 609 D C 2.149 178.429 176.300 -0.033 0.000 0.972 609 D CA 0.921 54.949 54.000 0.047 0.000 0.835 609 D CB 0.040 40.892 40.800 0.086 0.000 0.966 609 D HN 0.252 nan 8.370 nan 0.000 0.476 610 E N 0.378 120.522 120.200 -0.094 0.000 2.112 610 E HA -0.050 4.307 4.350 0.011 0.000 0.190 610 E C 2.150 178.628 176.600 -0.203 0.000 0.979 610 E CA -0.063 56.270 56.400 -0.112 0.000 0.814 610 E CB -0.171 29.411 29.700 -0.198 0.000 0.762 610 E HN 0.243 nan 8.360 nan 0.000 0.460 611 L N 1.016 122.054 121.223 -0.308 0.000 2.131 611 L HA -0.112 4.234 4.340 0.011 0.000 0.210 611 L C 2.098 178.685 176.870 -0.473 0.000 1.092 611 L CA 1.091 55.621 54.840 -0.517 0.000 0.759 611 L CB -0.264 41.407 42.059 -0.646 0.000 0.903 611 L HN -0.024 nan 8.230 nan 0.000 0.435 612 V N -0.236 119.499 119.914 -0.299 0.000 2.548 612 V HA -0.217 3.910 4.120 0.011 0.000 0.249 612 V C 2.483 178.470 176.094 -0.178 0.000 1.055 612 V CA 1.306 63.481 62.300 -0.209 0.000 1.065 612 V CB -0.436 31.298 31.823 -0.148 0.000 0.681 612 V HN 0.396 nan 8.190 nan 0.000 0.462 613 K N -0.047 120.282 120.400 -0.117 0.000 2.057 613 K HA -0.142 4.185 4.320 0.011 0.000 0.206 613 K C 2.126 178.695 176.600 -0.052 0.000 1.050 613 K CA 1.368 57.644 56.287 -0.018 0.000 0.935 613 K CB -0.353 32.213 32.500 0.109 0.000 0.715 613 K HN 0.324 nan 8.250 nan 0.000 0.439 614 L N 0.860 121.957 121.223 -0.209 0.000 2.056 614 L HA -0.098 4.248 4.340 0.011 0.000 0.207 614 L C 1.888 178.503 176.870 -0.425 0.000 1.078 614 L CA 1.601 56.246 54.840 -0.324 0.000 0.749 614 L CB -0.858 40.721 42.059 -0.801 0.000 0.901 614 L HN -0.111 nan 8.230 nan 0.000 0.433 615 V N 0.120 119.750 119.914 -0.474 0.000 2.490 615 V HA -0.270 3.856 4.120 0.011 0.000 0.250 615 V C 2.731 178.641 176.094 -0.308 0.000 1.061 615 V CA 1.978 64.022 62.300 -0.427 0.000 1.064 615 V CB -0.644 31.017 31.823 -0.270 0.000 0.670 615 V HN 0.487 nan 8.190 nan 0.000 0.461 616 K N -0.606 119.637 120.400 -0.261 0.000 2.217 616 K HA -0.008 4.318 4.320 0.011 0.000 0.202 616 K C 1.992 178.538 176.600 -0.089 0.000 1.051 616 K CA 0.961 57.153 56.287 -0.158 0.000 0.952 616 K CB -0.102 32.344 32.500 -0.089 0.000 0.736 616 K HN 0.372 nan 8.250 nan 0.000 0.453 617 L N 0.032 121.199 121.223 -0.093 0.000 2.109 617 L HA -0.136 4.210 4.340 0.011 0.000 0.207 617 L C 2.085 178.915 176.870 -0.067 0.000 1.086 617 L CA 0.651 55.459 54.840 -0.053 0.000 0.760 617 L CB -0.195 41.853 42.059 -0.019 0.000 0.910 617 L HN -0.018 nan 8.230 nan 0.000 0.437 618 V N 0.027 119.866 119.914 -0.125 0.000 2.427 618 V HA -0.236 3.891 4.120 0.011 0.000 0.248 618 V C 2.710 178.788 176.094 -0.027 0.000 1.051 618 V CA 1.674 63.921 62.300 -0.088 0.000 1.048 618 V CB -0.785 30.956 31.823 -0.138 0.000 0.666 618 V HN 0.461 nan 8.190 nan 0.000 0.456 619 A N -0.699 122.099 122.820 -0.037 0.000 1.972 619 A HA -0.216 4.110 4.320 0.011 0.000 0.219 619 A C 2.334 179.925 177.584 0.011 0.000 1.169 619 A CA 1.869 53.908 52.037 0.005 0.000 0.635 619 A CB -0.354 18.650 19.000 0.006 0.000 0.810 619 A HN 0.504 nan 8.150 nan 0.000 0.446 620 K N -0.228 120.170 120.400 -0.002 0.000 2.137 620 K HA -0.042 4.285 4.320 0.011 0.000 0.202 620 K C 0.663 177.266 176.600 0.006 0.000 1.052 620 K CA 0.496 56.786 56.287 0.005 0.000 0.961 620 K CB 0.033 32.533 32.500 -0.000 0.000 0.741 620 K HN 0.531 nan 8.250 nan 0.000 0.452 621 E N 2.597 122.798 120.200 0.002 0.000 2.480 621 E HA -0.016 4.340 4.350 0.011 0.000 0.258 621 E C -2.410 174.196 176.600 0.011 0.000 0.984 621 E CA -1.693 54.710 56.400 0.005 0.000 0.930 621 E CB 0.617 30.320 29.700 0.004 0.000 0.936 621 E HN -0.027 nan 8.360 nan 0.000 0.466 622 P HA 0.340 nan 4.420 nan 0.000 0.276 622 P C -0.256 177.051 177.300 0.011 0.000 1.230 622 P CA -0.082 63.025 63.100 0.011 0.000 0.776 622 P CB 1.363 33.068 31.700 0.008 0.000 0.888 623 G N 2.066 110.874 108.800 0.013 0.000 2.350 623 G HA2 0.218 4.184 3.960 0.011 0.000 0.304 623 G HA3 0.218 4.184 3.960 0.011 0.000 0.304 623 G C -1.143 173.764 174.900 0.012 0.000 1.421 623 G CA -0.877 44.230 45.100 0.011 0.000 0.934 623 G HN 0.765 nan 8.290 nan 0.000 0.632 624 N N -0.407 118.297 118.700 0.007 0.000 2.347 624 N HA 0.312 5.058 4.740 0.011 0.000 0.253 624 N C 1.489 177.004 175.510 0.007 0.000 1.274 624 N CA -0.023 53.031 53.050 0.006 0.000 0.941 624 N CB 0.660 39.147 38.487 -0.001 0.000 1.200 624 N HN 0.771 nan 8.380 nan 0.000 0.514 625 R N -0.414 120.088 120.500 0.004 0.000 2.134 625 R HA -0.226 4.121 4.340 0.011 0.000 0.248 625 R C 1.138 177.433 176.300 -0.008 0.000 1.143 625 R CA 1.871 57.971 56.100 0.001 0.000 0.957 625 R CB -0.353 29.941 30.300 -0.010 0.000 0.867 625 R HN 0.606 nan 8.270 nan 0.000 0.441 626 N N 0.304 118.995 118.700 -0.016 0.000 2.244 626 N HA -0.144 4.602 4.740 0.011 0.000 0.183 626 N C 1.508 177.012 175.510 -0.010 0.000 1.016 626 N CA 1.077 54.114 53.050 -0.023 0.000 0.866 626 N CB -0.024 38.447 38.487 -0.027 0.000 0.980 626 N HN 0.283 nan 8.380 nan 0.000 0.430 627 K N 1.003 121.403 120.400 0.000 0.000 2.167 627 K HA 0.052 4.379 4.320 0.011 0.000 0.203 627 K C 1.710 178.323 176.600 0.021 0.000 1.052 627 K CA 0.742 57.033 56.287 0.007 0.000 0.956 627 K CB 0.284 32.788 32.500 0.006 0.000 0.735 627 K HN 0.056 nan 8.250 nan 0.000 0.451 628 K N -0.389 120.029 120.400 0.030 0.000 2.116 628 K HA -0.086 4.240 4.320 0.011 0.000 0.203 628 K C 2.179 178.834 176.600 0.091 0.000 1.052 628 K CA 1.579 57.900 56.287 0.057 0.000 0.952 628 K CB -0.124 32.413 32.500 0.062 0.000 0.729 628 K HN 0.215 nan 8.250 nan 0.000 0.446 629 T N 0.214 114.798 114.554 0.049 0.000 2.867 629 T HA -0.127 4.230 4.350 0.011 0.000 0.268 629 T C 1.718 176.445 174.700 0.045 0.000 1.057 629 T CA 1.259 63.373 62.100 0.025 0.000 1.136 629 T CB 0.019 68.844 68.868 -0.072 0.000 0.874 629 T HN 0.208 nan 8.240 nan 0.000 0.466 630 E N 0.316 120.534 120.200 0.029 0.000 2.110 630 E HA -0.120 4.237 4.350 0.011 0.000 0.193 630 E C 2.186 178.820 176.600 0.057 0.000 0.988 630 E CA 1.253 57.670 56.400 0.028 0.000 0.804 630 E CB -0.078 29.630 29.700 0.012 0.000 0.745 630 E HN 0.459 nan 8.360 nan 0.000 0.458 631 K N 0.429 120.870 120.400 0.068 0.000 2.097 631 K HA -0.153 4.173 4.320 0.011 0.000 0.205 631 K C 1.694 178.349 176.600 0.093 0.000 1.050 631 K CA 1.045 57.368 56.287 0.061 0.000 0.938 631 K CB -0.436 32.089 32.500 0.040 0.000 0.718 631 K HN 0.055 nan 8.250 nan 0.000 0.442 632 F N 1.810 121.736 119.950 -0.039 0.000 2.146 632 F HA -0.046 4.488 4.527 0.012 0.000 0.298 632 F C 1.882 177.637 175.800 -0.075 0.000 1.096 632 F CA 1.602 59.561 58.000 -0.069 0.000 1.275 632 F CB -0.270 38.679 39.000 -0.084 0.000 1.008 632 F HN 0.165 nan 8.300 nan 0.000 0.480 633 Q N -0.529 119.410 119.800 0.232 0.000 2.119 633 Q HA -0.178 4.169 4.340 0.011 0.000 0.201 633 Q C 2.123 178.181 176.000 0.098 0.000 0.972 633 Q CA 1.129 57.004 55.803 0.119 0.000 0.847 633 Q CB -0.237 28.520 28.738 0.033 0.000 0.903 633 Q HN 0.055 nan 8.270 nan 0.000 0.433 634 K N 1.374 121.825 120.400 0.084 0.000 2.097 634 K HA -0.049 4.278 4.320 0.011 0.000 0.205 634 K C 1.804 178.460 176.600 0.094 0.000 1.050 634 K CA 1.002 57.331 56.287 0.069 0.000 0.938 634 K CB -0.323 32.207 32.500 0.050 0.000 0.718 634 K HN 0.208 nan 8.250 nan 0.000 0.442 635 L N 0.219 121.499 121.223 0.095 0.000 2.093 635 L HA -0.122 4.224 4.340 0.011 0.000 0.208 635 L C 2.243 179.242 176.870 0.215 0.000 1.085 635 L CA 0.791 55.718 54.840 0.146 0.000 0.755 635 L CB -0.280 41.812 42.059 0.056 0.000 0.904 635 L HN 0.098 nan 8.230 nan 0.000 0.435 636 L N -0.701 120.590 121.223 0.114 0.000 2.141 636 L HA -0.130 4.216 4.340 0.011 0.000 0.209 636 L C 2.617 179.633 176.870 0.244 0.000 1.094 636 L CA 0.963 55.876 54.840 0.120 0.000 0.763 636 L CB -0.546 41.538 42.059 0.040 0.000 0.908 636 L HN 0.214 nan 8.230 nan 0.000 0.437 637 A N -0.856 122.068 122.820 0.174 0.000 2.081 637 A HA -0.047 4.279 4.320 0.011 0.000 0.214 637 A C 1.068 178.740 177.584 0.147 0.000 1.158 637 A CA -0.054 52.069 52.037 0.142 0.000 0.724 637 A CB -0.164 18.890 19.000 0.090 0.000 0.826 637 A HN 0.244 nan 8.150 nan 0.000 0.463 638 E N 1.865 122.167 120.200 0.170 0.000 2.341 638 E HA 0.078 4.434 4.350 0.011 0.000 0.256 638 E C -0.128 176.583 176.600 0.185 0.000 1.125 638 E CA 0.235 56.722 56.400 0.145 0.000 0.939 638 E CB -0.018 29.762 29.700 0.133 0.000 0.991 638 E HN 0.544 nan 8.360 nan 0.000 0.458 639 Q N 3.234 123.106 119.800 0.120 0.000 2.260 639 Q HA 0.149 4.496 4.340 0.011 0.000 0.242 639 Q C -0.042 176.000 176.000 0.070 0.000 0.932 639 Q CA 0.025 55.897 55.803 0.114 0.000 0.891 639 Q CB 0.953 29.740 28.738 0.081 0.000 1.222 639 Q HN 0.750 nan 8.270 nan 0.000 0.453 640 D N -0.205 120.232 120.400 0.063 0.000 2.860 640 D HA -0.291 4.355 4.640 0.011 0.000 0.229 640 D C 0.330 176.604 176.300 -0.042 0.000 1.169 640 D CA 1.630 55.639 54.000 0.015 0.000 0.737 640 D CB -1.270 39.532 40.800 0.005 0.000 1.080 640 D HN 0.769 nan 8.370 nan 0.000 0.424 641 M N -1.319 118.231 119.600 -0.084 0.000 2.514 641 M HA 0.241 4.728 4.480 0.011 0.000 0.258 641 M C -0.434 175.542 176.300 -0.540 0.000 1.119 641 M CA 0.435 55.541 55.300 -0.323 0.000 1.111 641 M CB 0.233 32.563 32.600 -0.451 0.000 1.390 641 M HN 0.084 nan 8.290 nan 0.000 0.475 642 F N -0.382 119.537 119.950 -0.051 0.000 2.598 642 F HA 0.381 4.912 4.527 0.007 0.000 0.327 642 F C 1.040 176.763 175.800 -0.127 0.000 1.057 642 F CA -1.018 56.928 58.000 -0.091 0.000 0.957 642 F CB 1.032 39.953 39.000 -0.133 0.000 1.278 642 F HN -0.324 nan 8.300 nan 0.000 0.484 643 K N 0.036 120.484 120.400 0.081 0.000 2.360 643 K HA 0.023 4.350 4.320 0.011 0.000 0.201 643 K C -0.136 176.424 176.600 -0.066 0.000 1.046 643 K CA 0.519 56.805 56.287 -0.002 0.000 0.945 643 K CB 0.065 32.565 32.500 -0.001 0.000 0.750 643 K HN 0.288 nan 8.250 nan 0.000 0.464 644 V N 0.634 120.442 119.914 -0.176 0.000 2.715 644 V HA 0.213 4.339 4.120 0.011 0.000 0.310 644 V C -1.294 174.581 176.094 -0.365 0.000 1.054 644 V CA -1.125 60.984 62.300 -0.317 0.000 0.928 644 V CB 1.861 33.340 31.823 -0.572 0.000 1.007 644 V HN 0.212 nan 8.190 nan 0.000 0.437 645 N N 4.435 123.043 118.700 -0.154 0.000 2.589 645 N HA 0.264 5.011 4.740 0.011 0.000 0.232 645 N C 0.338 175.928 175.510 0.133 0.000 1.015 645 N CA -0.369 52.669 53.050 -0.020 0.000 0.931 645 N CB 0.494 39.023 38.487 0.070 0.000 1.150 645 N HN 0.664 nan 8.380 nan 0.000 0.512 646 F N 1.015 121.123 119.950 0.264 0.000 2.333 646 F HA -0.174 4.363 4.527 0.017 0.000 0.300 646 F C 2.833 178.835 175.800 0.337 0.000 1.083 646 F CA 1.076 59.298 58.000 0.371 0.000 1.395 646 F CB 0.009 39.092 39.000 0.140 0.000 1.056 646 F HN 0.541 nan 8.300 nan 0.000 0.529 647 T N -2.629 112.132 114.554 0.345 0.000 2.896 647 T HA -0.059 4.297 4.350 0.011 0.000 0.263 647 T C 0.813 175.566 174.700 0.088 0.000 1.050 647 T CA 0.724 62.937 62.100 0.188 0.000 1.140 647 T CB -0.148 68.802 68.868 0.136 0.000 0.877 647 T HN -0.004 nan 8.240 nan 0.000 0.457 648 N N 0.605 119.361 118.700 0.093 0.000 2.249 648 N HA 0.576 5.322 4.740 0.011 0.000 0.296 648 N C -1.427 174.127 175.510 0.073 0.000 1.051 648 N CA -1.096 51.936 53.050 -0.029 0.000 0.815 648 N CB 1.932 40.420 38.487 0.002 0.000 1.487 648 N HN 0.427 nan 8.380 nan 0.000 0.475 649 F N -0.947 119.061 119.950 0.097 0.000 2.706 649 F HA 0.618 5.151 4.527 0.010 0.000 0.328 649 F C 0.330 176.152 175.800 0.036 0.000 1.123 649 F CA -1.089 56.953 58.000 0.071 0.000 0.978 649 F CB 0.604 39.681 39.000 0.127 0.000 1.404 649 F HN 0.089 nan 8.300 nan 0.000 0.497 650 E N 1.281 121.637 120.200 0.260 0.000 2.373 650 E HA 0.216 4.572 4.350 0.011 0.000 0.267 650 E C -2.491 174.240 176.600 0.219 0.000 1.032 650 E CA -1.543 54.941 56.400 0.141 0.000 0.889 650 E CB 0.160 29.903 29.700 0.072 0.000 0.984 650 E HN 0.234 nan 8.360 nan 0.000 0.425 651 P HA -0.024 nan 4.420 nan 0.000 0.261 651 P C -0.641 176.794 177.300 0.225 0.000 1.173 651 P CA 0.941 64.110 63.100 0.114 0.000 0.760 651 P CB 0.242 31.860 31.700 -0.136 0.000 0.783 652 I N 5.513 126.235 120.570 0.252 0.000 2.499 652 I HA 0.298 4.475 4.170 0.011 0.000 0.288 652 I C -2.394 173.727 176.117 0.006 0.000 1.048 652 I CA -3.068 58.296 61.300 0.106 0.000 1.062 652 I CB 2.532 40.468 38.000 -0.107 0.000 1.238 652 I HN 0.057 nan 8.210 nan 0.000 0.426 653 P HA -0.047 nan 4.420 nan 0.000 0.264 653 P C -0.612 176.530 177.300 -0.263 0.000 1.193 653 P CA 0.137 63.012 63.100 -0.374 0.000 0.763 653 P CB 0.175 31.653 31.700 -0.370 0.000 0.810 654 F N 7.530 127.181 119.950 -0.498 0.000 2.456 654 F HA 0.215 4.747 4.527 0.009 0.000 0.358 654 F C -1.488 174.009 175.800 -0.504 0.000 1.095 654 F CA -2.316 55.333 58.000 -0.586 0.000 1.216 654 F CB 0.390 38.959 39.000 -0.718 0.000 1.125 654 F HN 0.360 nan 8.300 nan 0.000 0.549 655 P HA -0.181 nan 4.420 nan 0.000 0.216 655 P C 2.066 178.882 177.300 -0.807 0.000 1.150 655 P CA 1.536 64.114 63.100 -0.869 0.000 0.837 655 P CB 0.183 31.277 31.700 -1.009 0.000 0.786 656 L N -1.548 119.063 121.223 -1.020 0.000 2.056 656 L HA -0.078 4.268 4.340 0.011 0.000 0.207 656 L C 0.688 177.502 176.870 -0.094 0.000 1.078 656 L CA 1.292 55.909 54.840 -0.371 0.000 0.749 656 L CB -0.212 41.762 42.059 -0.142 0.000 0.901 656 L HN -0.002 nan 8.230 nan 0.000 0.433 657 D N -1.796 118.520 120.400 -0.139 0.000 2.358 657 D HA 0.185 4.832 4.640 0.011 0.000 0.253 657 D C -2.033 174.170 176.300 -0.162 0.000 1.288 657 D CA -1.708 52.258 54.000 -0.057 0.000 0.950 657 D CB 1.639 42.432 40.800 -0.010 0.000 1.197 657 D HN -0.168 nan 8.370 nan 0.000 0.550 658 P HA -0.081 nan 4.420 nan 0.000 0.226 658 P C 1.050 178.189 177.300 -0.268 0.000 1.146 658 P CA 0.586 63.544 63.100 -0.237 0.000 0.773 658 P CB 0.623 32.219 31.700 -0.174 0.000 0.772 659 E N -0.568 119.521 120.200 -0.185 0.000 2.216 659 E HA 0.038 4.394 4.350 0.011 0.000 0.192 659 E C 0.723 177.183 176.600 -0.234 0.000 0.988 659 E CA 0.326 56.622 56.400 -0.174 0.000 0.834 659 E CB -0.266 29.393 29.700 -0.069 0.000 0.772 659 E HN 0.304 nan 8.360 nan 0.000 0.479 660 I N 1.087 121.496 120.570 -0.269 0.000 2.336 660 I HA 0.116 4.292 4.170 0.011 0.000 0.292 660 I C -0.279 175.645 176.117 -0.323 0.000 0.991 660 I CA -0.737 60.414 61.300 -0.248 0.000 1.227 660 I CB 0.792 38.587 38.000 -0.342 0.000 1.366 660 I HN -0.157 nan 8.210 nan 0.000 0.466 661 Y N 5.975 126.190 120.300 -0.141 0.000 2.301 661 Y HA 0.436 4.992 4.550 0.009 0.000 0.328 661 Y C 0.761 176.559 175.900 -0.169 0.000 1.242 661 Y CA -0.367 57.654 58.100 -0.130 0.000 1.323 661 Y CB 0.795 39.199 38.460 -0.095 0.000 1.266 661 Y HN 0.368 nan 8.280 nan 0.000 0.527 662 I N -1.536 119.034 120.570 -0.000 0.000 3.474 662 I HA 0.656 4.832 4.170 0.011 0.000 0.294 662 I C 0.311 176.481 176.117 0.087 0.000 1.185 662 I CA -0.648 60.653 61.300 0.001 0.000 1.003 662 I CB 2.051 39.990 38.000 -0.102 0.000 1.327 662 I HN 0.671 nan 8.210 nan 0.000 0.541 663 T N -2.717 111.746 114.554 -0.150 0.000 3.416 663 T HA 0.361 4.717 4.350 0.011 0.000 0.298 663 T C 0.006 173.911 174.700 -1.326 0.000 0.874 663 T CA -0.394 61.328 62.100 -0.629 0.000 0.901 663 T CB -0.002 68.690 68.868 -0.293 0.000 1.215 663 T HN 0.713 nan 8.240 nan 0.000 0.677 664 K N 0.596 120.482 120.400 -0.856 0.000 2.587 664 K HA 0.631 4.958 4.320 0.011 0.000 0.276 664 K C -1.746 174.928 176.600 0.123 0.000 0.956 664 K CA -0.685 55.377 56.287 -0.374 0.000 0.857 664 K CB 2.610 35.030 32.500 -0.132 0.000 1.431 664 K HN 0.125 nan 8.250 nan 0.000 0.420 665 I N 1.314 122.018 120.570 0.223 0.000 2.740 665 I HA 0.359 4.535 4.170 0.011 0.000 0.303 665 I C -0.313 175.816 176.117 0.019 0.000 1.044 665 I CA -1.370 59.971 61.300 0.067 0.000 1.064 665 I CB 2.288 40.316 38.000 0.047 0.000 1.249 665 I HN 0.167 nan 8.210 nan 0.000 0.433 666 V N 5.819 125.700 119.914 -0.055 0.000 2.304 666 V HA 0.168 4.295 4.120 0.011 0.000 0.269 666 V C -1.770 174.288 176.094 -0.060 0.000 1.036 666 V CA -1.190 61.088 62.300 -0.037 0.000 0.840 666 V CB 0.650 32.451 31.823 -0.036 0.000 1.036 666 V HN 0.640 nan 8.190 nan 0.000 0.466 667 P HA -0.105 nan 4.420 nan 0.000 0.216 667 P C 1.673 178.942 177.300 -0.051 0.000 1.150 667 P CA 1.217 64.306 63.100 -0.019 0.000 0.837 667 P CB 0.132 31.851 31.700 0.032 0.000 0.786 668 M N -1.767 117.805 119.600 -0.046 0.000 2.506 668 M HA 0.023 4.509 4.480 0.011 0.000 0.260 668 M C 1.744 177.991 176.300 -0.088 0.000 1.104 668 M CA 1.092 56.358 55.300 -0.057 0.000 1.112 668 M CB -0.863 31.714 32.600 -0.038 0.000 1.401 668 M HN -0.061 nan 8.290 nan 0.000 0.473 669 R N 0.297 120.736 120.500 -0.101 0.000 2.299 669 R HA 0.030 4.376 4.340 0.011 0.000 0.197 669 R C 0.612 176.802 176.300 -0.185 0.000 0.971 669 R CA 0.334 56.359 56.100 -0.125 0.000 1.030 669 R CB -0.191 30.047 30.300 -0.105 0.000 0.932 669 R HN 0.397 nan 8.270 nan 0.000 0.477 670 T N -0.307 114.118 114.554 -0.216 0.000 2.817 670 T HA 0.305 4.662 4.350 0.011 0.000 0.293 670 T C 0.223 174.720 174.700 -0.339 0.000 0.964 670 T CA -0.616 61.294 62.100 -0.316 0.000 1.085 670 T CB 1.621 70.237 68.868 -0.420 0.000 0.921 670 T HN 0.019 nan 8.240 nan 0.000 0.502 671 S N 3.508 118.978 115.700 -0.383 0.000 2.689 671 S HA 0.791 5.267 4.470 0.011 0.000 0.306 671 S C -0.540 173.822 174.600 -0.397 0.000 1.104 671 S CA -1.208 56.767 58.200 -0.376 0.000 0.973 671 S CB 1.071 64.026 63.200 -0.409 0.000 1.121 671 S HN 0.772 nan 8.310 nan 0.000 0.523 672 L N 0.873 121.909 121.223 -0.311 0.000 2.346 672 L HA 0.575 4.921 4.340 0.011 0.000 0.274 672 L C -0.944 175.793 176.870 -0.222 0.000 1.007 672 L CA -0.824 53.893 54.840 -0.206 0.000 0.818 672 L CB 0.880 42.893 42.059 -0.076 0.000 1.284 672 L HN 0.595 nan 8.230 nan 0.000 0.424 673 F N 1.189 121.102 119.950 -0.061 0.000 2.459 673 F HA 0.064 4.597 4.527 0.010 0.000 0.346 673 F C 1.302 177.083 175.800 -0.032 0.000 1.128 673 F CA -0.270 57.704 58.000 -0.042 0.000 1.268 673 F CB 0.668 39.654 39.000 -0.024 0.000 1.161 673 F HN 0.441 nan 8.300 nan 0.000 0.583 674 K N 0.324 120.810 120.400 0.144 0.000 2.362 674 K HA -0.049 4.277 4.320 0.011 0.000 0.200 674 K C 0.898 177.541 176.600 0.073 0.000 1.046 674 K CA 0.401 56.729 56.287 0.067 0.000 0.952 674 K CB -0.759 31.761 32.500 0.033 0.000 0.753 674 K HN 0.399 nan 8.250 nan 0.000 0.466 675 S N 0.050 115.820 115.700 0.116 0.000 2.549 675 S HA 0.121 4.597 4.470 0.011 0.000 0.278 675 S C 1.368 176.000 174.600 0.053 0.000 1.344 675 S CA 0.101 58.340 58.200 0.064 0.000 1.025 675 S CB 0.640 63.866 63.200 0.043 0.000 0.851 675 S HN 0.392 nan 8.310 nan 0.000 0.530 676 A N 4.350 127.188 122.820 0.030 0.000 1.898 676 A HA 0.267 4.593 4.320 0.011 0.000 0.214 676 A C 0.965 178.572 177.584 0.038 0.000 1.183 676 A CA 0.426 52.480 52.037 0.027 0.000 0.622 676 A CB -0.539 18.470 19.000 0.015 0.000 0.824 676 A HN 0.757 nan 8.150 nan 0.000 0.444 677 L N 0.242 121.487 121.223 0.036 0.000 2.426 677 L HA 0.226 4.572 4.340 0.011 0.000 0.271 677 L C -0.001 176.909 176.870 0.068 0.000 1.169 677 L CA 0.028 54.896 54.840 0.047 0.000 0.836 677 L CB 0.853 42.929 42.059 0.028 0.000 1.112 677 L HN 0.352 nan 8.230 nan 0.000 0.465 678 M N 4.975 124.630 119.600 0.091 0.000 2.495 678 M HA 0.291 4.777 4.480 0.011 0.000 0.346 678 M C -2.243 174.149 176.300 0.153 0.000 1.251 678 M CA -1.629 53.743 55.300 0.119 0.000 1.249 678 M CB 0.758 33.418 32.600 0.100 0.000 1.229 678 M HN 0.205 nan 8.290 nan 0.000 0.450 679 P HA 0.124 nan 4.420 nan 0.000 0.268 679 P C -0.606 176.851 177.300 0.261 0.000 1.204 679 P CA -0.069 63.154 63.100 0.205 0.000 0.768 679 P CB 0.672 32.465 31.700 0.155 0.000 0.842 680 A N 3.259 126.198 122.820 0.198 0.000 2.351 680 A HA 0.302 4.629 4.320 0.011 0.000 0.257 680 A C 0.307 177.945 177.584 0.090 0.000 1.087 680 A CA -0.250 51.780 52.037 -0.012 0.000 0.798 680 A CB 0.086 19.009 19.000 -0.129 0.000 1.033 680 A HN 0.512 nan 8.150 nan 0.000 0.488 681 K N 1.007 121.344 120.400 -0.105 0.000 2.110 681 K HA 0.552 4.878 4.320 0.011 0.000 0.263 681 K C -1.113 175.398 176.600 -0.149 0.000 0.975 681 K CA -0.577 55.678 56.287 -0.053 0.000 0.895 681 K CB 0.476 32.789 32.500 -0.312 0.000 1.060 681 K HN 0.487 nan 8.250 nan 0.000 0.448 682 L N 1.836 123.035 121.223 -0.040 0.000 2.319 682 L HA 0.471 4.817 4.340 0.011 0.000 0.267 682 L C -0.010 176.724 176.870 -0.226 0.000 1.011 682 L CA -0.635 54.065 54.840 -0.233 0.000 0.818 682 L CB 1.654 43.500 42.059 -0.355 0.000 1.316 682 L HN 0.742 nan 8.230 nan 0.000 0.432 683 T N 1.091 115.460 114.554 -0.308 0.000 2.895 683 T HA 0.708 5.064 4.350 0.011 0.000 0.283 683 T C -0.418 174.086 174.700 -0.326 0.000 1.014 683 T CA -0.121 61.882 62.100 -0.161 0.000 1.037 683 T CB 1.052 69.860 68.868 -0.101 0.000 1.006 683 T HN 0.143 nan 8.240 nan 0.000 0.468 684 F N 0.698 120.687 119.950 0.065 0.000 2.557 684 F HA 0.690 5.222 4.527 0.009 0.000 0.336 684 F C 0.422 176.252 175.800 0.051 0.000 1.058 684 F CA -1.172 56.868 58.000 0.067 0.000 0.988 684 F CB 1.199 40.203 39.000 0.007 0.000 1.275 684 F HN 0.360 nan 8.300 nan 0.000 0.488 685 V N -0.777 119.264 119.914 0.211 0.000 2.834 685 V HA 0.784 4.911 4.120 0.011 0.000 0.313 685 V C -0.143 176.009 176.094 0.097 0.000 1.060 685 V CA -0.300 62.091 62.300 0.152 0.000 0.989 685 V CB 1.468 33.373 31.823 0.135 0.000 1.041 685 V HN 0.919 nan 8.190 nan 0.000 0.459 686 T N 0.903 115.500 114.554 0.072 0.000 2.897 686 T HA 0.357 4.714 4.350 0.011 0.000 0.278 686 T C 1.309 175.964 174.700 -0.074 0.000 0.981 686 T CA 0.191 62.292 62.100 0.001 0.000 0.973 686 T CB 1.148 70.031 68.868 0.026 0.000 1.092 686 T HN 1.617 nan 8.240 nan 0.000 0.543 687 S N 0.080 115.741 115.700 -0.065 0.000 2.469 687 S HA 0.068 4.545 4.470 0.011 0.000 0.238 687 S C 0.720 175.211 174.600 -0.181 0.000 0.998 687 S CA 0.222 58.345 58.200 -0.128 0.000 0.957 687 S CB -0.872 62.267 63.200 -0.102 0.000 0.764 687 S HN 0.656 nan 8.310 nan 0.000 0.514 688 I N 1.675 122.134 120.570 -0.185 0.000 2.312 688 I HA 0.465 4.642 4.170 0.011 0.000 0.290 688 I C 0.899 176.774 176.117 -0.405 0.000 1.008 688 I CA -0.316 60.811 61.300 -0.288 0.000 1.226 688 I CB 1.173 38.985 38.000 -0.313 0.000 1.371 688 I HN 0.250 nan 8.210 nan 0.000 0.468 689 A N 5.602 128.238 122.820 -0.306 0.000 2.744 689 A HA -0.277 4.049 4.320 0.011 0.000 0.300 689 A C 0.949 178.555 177.584 0.038 0.000 1.512 689 A CA 1.223 53.165 52.037 -0.157 0.000 0.851 689 A CB -2.109 16.791 19.000 -0.167 0.000 0.987 689 A HN 1.005 nan 8.150 nan 0.000 0.507 690 H N -2.892 116.162 119.070 -0.025 0.000 2.861 690 H HA -0.198 4.364 4.556 0.010 0.000 0.289 690 H C 0.473 175.886 175.328 0.143 0.000 1.176 690 H CA 1.316 57.388 56.048 0.040 0.000 1.146 690 H CB -1.853 27.929 29.762 0.033 0.000 1.330 690 H HN 0.922 nan 8.280 nan 0.000 0.379 691 H N 1.295 120.418 119.070 0.088 0.000 2.913 691 H HA 0.120 4.682 4.556 0.011 0.000 0.365 691 H C 1.043 176.435 175.328 0.107 0.000 1.155 691 H CA 0.687 56.788 56.048 0.089 0.000 1.417 691 H CB 0.642 30.449 29.762 0.074 0.000 1.386 691 H HN 0.442 nan 8.280 nan 0.000 0.614 692 E N 0.519 120.841 120.200 0.203 0.000 2.227 692 E HA 0.307 4.663 4.350 0.011 0.000 0.268 692 E C -0.918 175.831 176.600 0.248 0.000 0.990 692 E CA -0.654 55.857 56.400 0.185 0.000 0.856 692 E CB 1.948 31.713 29.700 0.107 0.000 1.159 692 E HN 0.473 nan 8.360 nan 0.000 0.401 693 Y N -0.044 120.321 120.300 0.109 0.000 2.524 693 Y HA 0.575 5.132 4.550 0.011 0.000 0.344 693 Y C -1.072 174.931 175.900 0.170 0.000 1.012 693 Y CA -0.788 57.363 58.100 0.086 0.000 1.068 693 Y CB 1.684 40.102 38.460 -0.071 0.000 1.249 693 Y HN 0.611 nan 8.280 nan 0.000 0.468 694 A N 2.749 125.474 122.820 -0.158 0.000 2.337 694 A HA 0.951 5.277 4.320 0.011 0.000 0.331 694 A C -1.330 176.319 177.584 0.108 0.000 1.137 694 A CA -0.055 52.021 52.037 0.065 0.000 0.807 694 A CB 1.022 20.034 19.000 0.021 0.000 1.250 694 A HN 1.008 nan 8.150 nan 0.000 0.468 695 A N 0.555 123.653 122.820 0.463 0.000 2.486 695 A HA 0.842 5.169 4.320 0.011 0.000 0.289 695 A C -0.667 177.242 177.584 0.542 0.000 1.176 695 A CA -0.616 51.788 52.037 0.612 0.000 0.757 695 A CB 0.646 20.294 19.000 1.080 0.000 1.337 695 A HN 0.750 nan 8.150 nan 0.000 0.423 696 I N -0.264 120.629 120.570 0.538 0.000 2.676 696 I HA 0.462 4.639 4.170 0.011 0.000 0.309 696 I C -1.042 175.336 176.117 0.435 0.000 0.990 696 I CA -0.306 61.245 61.300 0.419 0.000 1.168 696 I CB 1.533 39.686 38.000 0.254 0.000 1.343 696 I HN 0.575 nan 8.210 nan 0.000 0.482 697 F N 4.757 124.759 119.950 0.086 0.000 2.507 697 F HA 0.470 5.004 4.527 0.012 0.000 0.328 697 F C -0.441 175.334 175.800 -0.040 0.000 1.136 697 F CA -0.657 57.240 58.000 -0.172 0.000 0.930 697 F CB 1.152 40.021 39.000 -0.218 0.000 1.166 697 F HN 0.266 nan 8.300 nan 0.000 0.436 698 K N 3.874 123.944 120.400 -0.550 0.000 2.292 698 K HA 0.304 4.630 4.320 0.011 0.000 0.257 698 K C -1.261 175.118 176.600 -0.369 0.000 0.940 698 K CA -0.675 55.435 56.287 -0.295 0.000 0.811 698 K CB 0.951 33.345 32.500 -0.178 0.000 1.120 698 K HN 0.824 nan 8.250 nan 0.000 0.428 699 H N 2.335 121.270 119.070 -0.226 0.000 2.587 699 H HA 0.324 4.886 4.556 0.010 0.000 0.245 699 H C 0.282 175.584 175.328 -0.044 0.000 1.238 699 H CA -0.037 55.931 56.048 -0.134 0.000 0.963 699 H CB 0.739 30.483 29.762 -0.030 0.000 1.904 699 H HN 0.824 nan 8.280 nan 0.000 0.584 700 G N -0.558 108.169 108.800 -0.123 0.000 2.826 700 G HA2 0.058 4.024 3.960 0.011 0.000 0.197 700 G HA3 0.058 4.024 3.960 0.011 0.000 0.197 700 G C -0.070 174.763 174.900 -0.113 0.000 1.072 700 G CA 0.323 45.367 45.100 -0.094 0.000 0.733 700 G HN 0.488 nan 8.290 nan 0.000 0.674 701 D N -0.406 119.930 120.400 -0.106 0.000 2.585 701 D HA 0.373 5.019 4.640 0.011 0.000 0.254 701 D C -1.472 174.767 176.300 -0.101 0.000 1.067 701 D CA -0.870 53.077 54.000 -0.087 0.000 1.090 701 D CB 1.087 41.860 40.800 -0.045 0.000 1.408 701 D HN -0.176 nan 8.370 nan 0.000 0.554 702 D N 0.093 120.446 120.400 -0.078 0.000 2.336 702 D HA 0.127 4.774 4.640 0.011 0.000 0.249 702 D C 0.756 177.029 176.300 -0.045 0.000 1.213 702 D CA -0.235 53.721 54.000 -0.074 0.000 0.870 702 D CB 0.640 41.402 40.800 -0.063 0.000 1.076 702 D HN 0.375 nan 8.370 nan 0.000 0.483 703 L N 3.744 124.944 121.223 -0.039 0.000 2.610 703 L HA 0.063 4.409 4.340 0.011 0.000 0.232 703 L C 2.285 179.166 176.870 0.018 0.000 1.149 703 L CA 0.067 54.910 54.840 0.004 0.000 0.872 703 L CB -0.019 42.049 42.059 0.015 0.000 0.992 703 L HN 0.306 nan 8.230 nan 0.000 0.447 704 R N 0.166 120.660 120.500 -0.011 0.000 2.105 704 R HA -0.253 4.094 4.340 0.011 0.000 0.239 704 R C 2.215 178.496 176.300 -0.033 0.000 1.135 704 R CA 1.740 57.821 56.100 -0.031 0.000 0.967 704 R CB -0.161 30.104 30.300 -0.058 0.000 0.861 704 R HN 0.402 nan 8.270 nan 0.000 0.442 705 Q N 0.652 120.444 119.800 -0.013 0.000 2.167 705 Q HA -0.165 4.181 4.340 0.011 0.000 0.202 705 Q C 0.754 176.776 176.000 0.035 0.000 0.970 705 Q CA 1.926 57.727 55.803 -0.003 0.000 0.855 705 Q CB 0.202 28.949 28.738 0.015 0.000 0.911 705 Q HN 0.277 nan 8.270 nan 0.000 0.438 706 D N 0.090 120.541 120.400 0.085 0.000 2.194 706 D HA -0.161 4.485 4.640 0.011 0.000 0.204 706 D C 1.843 178.194 176.300 0.084 0.000 0.964 706 D CA 1.355 55.457 54.000 0.170 0.000 0.846 706 D CB 0.052 40.987 40.800 0.225 0.000 0.962 706 D HN 0.507 nan 8.370 nan 0.000 0.490 707 Q N 0.368 120.190 119.800 0.038 0.000 2.123 707 Q HA -0.059 4.287 4.340 0.011 0.000 0.199 707 Q C 2.205 178.168 176.000 -0.062 0.000 0.966 707 Q CA 0.620 56.428 55.803 0.009 0.000 0.845 707 Q CB -0.368 28.391 28.738 0.035 0.000 0.907 707 Q HN 0.307 nan 8.270 nan 0.000 0.439 708 L N 0.559 121.726 121.223 -0.092 0.000 2.017 708 L HA -0.167 4.180 4.340 0.011 0.000 0.208 708 L C 2.210 178.990 176.870 -0.150 0.000 1.073 708 L CA 1.104 55.852 54.840 -0.152 0.000 0.745 708 L CB -0.134 41.813 42.059 -0.187 0.000 0.894 708 L HN 0.287 nan 8.230 nan 0.000 0.432 709 I N -0.262 120.219 120.570 -0.147 0.000 2.315 709 I HA -0.262 3.915 4.170 0.011 0.000 0.248 709 I C 2.488 178.437 176.117 -0.281 0.000 1.117 709 I CA 1.251 62.394 61.300 -0.261 0.000 1.404 709 I CB -0.892 36.818 38.000 -0.483 0.000 1.071 709 I HN 0.309 nan 8.210 nan 0.000 0.419 710 L N 0.172 121.274 121.223 -0.201 0.000 2.156 710 L HA -0.136 4.211 4.340 0.011 0.000 0.208 710 L C 2.617 179.390 176.870 -0.163 0.000 1.095 710 L CA 1.220 55.935 54.840 -0.208 0.000 0.770 710 L CB -0.538 41.396 42.059 -0.207 0.000 0.914 710 L HN 0.265 nan 8.230 nan 0.000 0.439 711 Q N -0.944 118.778 119.800 -0.129 0.000 2.084 711 Q HA -0.232 4.114 4.340 0.011 0.000 0.202 711 Q C 2.159 178.097 176.000 -0.104 0.000 0.978 711 Q CA 1.413 57.149 55.803 -0.111 0.000 0.844 711 Q CB 0.034 28.709 28.738 -0.105 0.000 0.898 711 Q HN 0.365 nan 8.270 nan 0.000 0.426 712 M N 0.276 119.813 119.600 -0.105 0.000 2.117 712 M HA -0.125 4.361 4.480 0.011 0.000 0.262 712 M C 2.172 178.412 176.300 -0.101 0.000 1.065 712 M CA 1.172 56.434 55.300 -0.064 0.000 1.114 712 M CB -0.775 31.813 32.600 -0.020 0.000 1.361 712 M HN 0.250 nan 8.290 nan 0.000 0.408 713 I N -0.529 119.949 120.570 -0.154 0.000 2.315 713 I HA -0.262 3.914 4.170 0.011 0.000 0.248 713 I C 2.099 178.135 176.117 -0.135 0.000 1.117 713 I CA 1.202 62.400 61.300 -0.170 0.000 1.404 713 I CB -0.533 37.357 38.000 -0.183 0.000 1.071 713 I HN 0.270 nan 8.210 nan 0.000 0.419 714 T N 1.198 115.679 114.554 -0.121 0.000 2.746 714 T HA -0.156 4.201 4.350 0.011 0.000 0.267 714 T C 1.984 176.623 174.700 -0.102 0.000 1.039 714 T CA 1.028 63.065 62.100 -0.105 0.000 1.142 714 T CB -0.239 68.564 68.868 -0.107 0.000 0.866 714 T HN 0.282 nan 8.240 nan 0.000 0.444 715 L N 0.449 121.615 121.223 -0.095 0.000 2.056 715 L HA -0.027 4.319 4.340 0.011 0.000 0.207 715 L C 2.396 179.214 176.870 -0.087 0.000 1.078 715 L CA 1.562 56.355 54.840 -0.079 0.000 0.749 715 L CB -0.340 41.699 42.059 -0.032 0.000 0.901 715 L HN 0.351 nan 8.230 nan 0.000 0.433 716 M N -0.975 118.571 119.600 -0.090 0.000 2.254 716 M HA -0.206 4.280 4.480 0.011 0.000 0.265 716 M C 1.664 177.897 176.300 -0.112 0.000 1.066 716 M CA 1.690 56.931 55.300 -0.097 0.000 1.123 716 M CB -0.661 31.881 32.600 -0.097 0.000 1.388 716 M HN 0.249 nan 8.290 nan 0.000 0.425 717 D N 0.741 121.075 120.400 -0.111 0.000 2.144 717 D HA -0.115 4.531 4.640 0.011 0.000 0.200 717 D C 1.957 178.201 176.300 -0.094 0.000 0.978 717 D CA 1.201 55.141 54.000 -0.100 0.000 0.833 717 D CB 0.220 40.968 40.800 -0.086 0.000 0.961 717 D HN 0.169 nan 8.370 nan 0.000 0.470 718 K N -0.501 119.840 120.400 -0.098 0.000 2.155 718 K HA 0.005 4.331 4.320 0.011 0.000 0.203 718 K C 2.100 178.630 176.600 -0.116 0.000 1.052 718 K CA 0.506 56.736 56.287 -0.094 0.000 0.948 718 K CB 0.066 32.510 32.500 -0.094 0.000 0.728 718 K HN 0.244 nan 8.250 nan 0.000 0.448 719 L N 0.641 121.767 121.223 -0.162 0.000 2.109 719 L HA -0.124 4.222 4.340 0.011 0.000 0.207 719 L C 2.199 178.965 176.870 -0.174 0.000 1.086 719 L CA 0.825 55.505 54.840 -0.265 0.000 0.760 719 L CB -0.244 41.558 42.059 -0.428 0.000 0.910 719 L HN 0.157 nan 8.230 nan 0.000 0.437 720 L N -0.782 120.362 121.223 -0.132 0.000 2.109 720 L HA -0.121 4.226 4.340 0.011 0.000 0.207 720 L C 2.810 179.614 176.870 -0.110 0.000 1.086 720 L CA 0.953 55.716 54.840 -0.128 0.000 0.760 720 L CB -0.415 41.569 42.059 -0.125 0.000 0.910 720 L HN 0.220 nan 8.230 nan 0.000 0.437 721 R N -0.255 120.193 120.500 -0.087 0.000 2.115 721 R HA -0.090 4.256 4.340 0.011 0.000 0.230 721 R C 2.357 178.630 176.300 -0.045 0.000 1.111 721 R CA 0.802 56.865 56.100 -0.062 0.000 0.976 721 R CB -0.151 30.117 30.300 -0.053 0.000 0.870 721 R HN 0.342 nan 8.270 nan 0.000 0.445 722 R N 0.615 121.088 120.500 -0.046 0.000 2.096 722 R HA -0.094 4.252 4.340 0.011 0.000 0.235 722 R C 1.170 177.477 176.300 0.012 0.000 1.127 722 R CA 1.010 57.100 56.100 -0.016 0.000 0.968 722 R CB 0.078 30.367 30.300 -0.019 0.000 0.861 722 R HN 0.176 nan 8.270 nan 0.000 0.440 723 E N -0.182 120.025 120.200 0.011 0.000 2.476 723 E HA -0.009 4.348 4.350 0.011 0.000 0.191 723 E C -0.006 176.590 176.600 -0.006 0.000 1.064 723 E CA -0.076 56.355 56.400 0.051 0.000 0.866 723 E CB -0.383 29.379 29.700 0.103 0.000 0.952 723 E HN 0.317 nan 8.360 nan 0.000 0.492 724 N N 0.354 119.039 118.700 -0.026 0.000 2.818 724 N HA -0.142 4.605 4.740 0.011 0.000 0.250 724 N C -0.959 174.516 175.510 -0.057 0.000 1.108 724 N CA 0.026 53.059 53.050 -0.027 0.000 0.745 724 N CB -0.401 38.085 38.487 -0.002 0.000 1.104 724 N HN 0.096 nan 8.380 nan 0.000 0.557 725 L N 1.443 122.605 121.223 -0.103 0.000 2.276 725 L HA 0.329 4.676 4.340 0.011 0.000 0.286 725 L C -0.279 176.539 176.870 -0.086 0.000 1.024 725 L CA -0.056 54.711 54.840 -0.123 0.000 0.826 725 L CB 1.400 43.319 42.059 -0.233 0.000 1.211 725 L HN 0.064 nan 8.230 nan 0.000 0.422 726 D N 4.657 125.024 120.400 -0.055 0.000 2.461 726 D HA 0.246 4.892 4.640 0.011 0.000 0.240 726 D C 0.554 176.841 176.300 -0.022 0.000 1.094 726 D CA -0.311 53.668 54.000 -0.035 0.000 0.868 726 D CB 1.114 41.902 40.800 -0.020 0.000 1.062 726 D HN 0.392 nan 8.370 nan 0.000 0.530 727 L N 3.391 124.600 121.223 -0.022 0.000 2.629 727 L HA 0.141 4.487 4.340 0.011 0.000 0.230 727 L C 0.709 177.607 176.870 0.047 0.000 1.151 727 L CA -0.224 54.618 54.840 0.003 0.000 0.924 727 L CB -0.330 41.718 42.059 -0.017 0.000 1.137 727 L HN 0.319 nan 8.230 nan 0.000 0.457 728 K N 0.503 120.926 120.400 0.039 0.000 3.077 728 K HA -0.176 4.151 4.320 0.011 0.000 0.264 728 K C -0.098 176.575 176.600 0.123 0.000 1.008 728 K CA 0.607 56.931 56.287 0.062 0.000 0.740 728 K CB -2.204 30.333 32.500 0.062 0.000 1.273 728 K HN 0.409 nan 8.250 nan 0.000 0.477 729 L N 0.747 122.037 121.223 0.111 0.000 2.464 729 L HA 0.165 4.511 4.340 0.011 0.000 0.264 729 L C 1.106 178.072 176.870 0.160 0.000 1.199 729 L CA -0.001 54.965 54.840 0.211 0.000 0.818 729 L CB 0.457 42.540 42.059 0.041 0.000 1.102 729 L HN 0.174 nan 8.230 nan 0.000 0.473 730 T N -0.567 114.119 114.554 0.219 0.000 2.963 730 T HA 0.366 4.722 4.350 0.011 0.000 0.343 730 T C -2.424 172.326 174.700 0.083 0.000 1.146 730 T CA -1.613 60.495 62.100 0.015 0.000 1.016 730 T CB 0.762 69.419 68.868 -0.351 0.000 1.046 730 T HN 0.351 nan 8.240 nan 0.000 0.496 731 P HA 0.228 nan 4.420 nan 0.000 0.226 731 P C -0.280 176.983 177.300 -0.063 0.000 1.832 731 P CA -0.700 62.368 63.100 -0.053 0.000 1.092 731 P CB -0.587 31.077 31.700 -0.060 0.000 1.873 732 Y N -0.193 120.123 120.300 0.027 0.000 2.279 732 Y HA 0.325 4.881 4.550 0.010 0.000 0.350 732 Y C 0.475 176.426 175.900 0.085 0.000 1.288 732 Y CA -0.691 57.427 58.100 0.029 0.000 1.547 732 Y CB 0.407 38.870 38.460 0.004 0.000 1.381 732 Y HN -0.034 nan 8.280 nan 0.000 0.630 733 K N 1.285 121.879 120.400 0.323 0.000 2.183 733 K HA 0.593 4.920 4.320 0.011 0.000 0.274 733 K C -1.393 175.394 176.600 0.312 0.000 1.009 733 K CA -0.743 55.688 56.287 0.240 0.000 0.888 733 K CB 1.735 34.378 32.500 0.239 0.000 1.078 733 K HN 0.542 nan 8.250 nan 0.000 0.459 734 V N 4.008 124.059 119.914 0.228 0.000 2.680 734 V HA 0.454 4.580 4.120 0.011 0.000 0.309 734 V C -0.928 175.295 176.094 0.214 0.000 1.052 734 V CA -1.051 61.395 62.300 0.245 0.000 0.908 734 V CB 1.754 33.705 31.823 0.215 0.000 1.001 734 V HN 0.554 nan 8.190 nan 0.000 0.431 735 L N 3.159 124.498 121.223 0.194 0.000 2.354 735 L HA 0.976 5.323 4.340 0.011 0.000 0.264 735 L C -0.052 176.890 176.870 0.121 0.000 1.008 735 L CA -0.419 54.522 54.840 0.169 0.000 0.819 735 L CB 1.891 43.974 42.059 0.041 0.000 1.339 735 L HN 0.800 nan 8.230 nan 0.000 0.420 736 A N 2.616 125.507 122.820 0.119 0.000 2.301 736 A HA 0.622 4.949 4.320 0.011 0.000 0.312 736 A C 0.641 178.243 177.584 0.030 0.000 1.182 736 A CA -0.039 52.026 52.037 0.046 0.000 0.826 736 A CB 0.378 19.389 19.000 0.019 0.000 1.134 736 A HN 0.906 nan 8.150 nan 0.000 0.501 737 T N 1.276 115.808 114.554 -0.038 0.000 3.269 737 T HA 0.033 4.390 4.350 0.011 0.000 0.216 737 T C 1.462 176.189 174.700 0.046 0.000 1.111 737 T CA 1.427 63.506 62.100 -0.036 0.000 2.053 737 T CB -0.391 68.567 68.868 0.150 0.000 1.224 737 T HN 1.104 nan 8.240 nan 0.000 0.352 738 S N 1.337 116.861 115.700 -0.294 0.000 2.655 738 S HA 0.344 4.820 4.470 0.011 0.000 0.265 738 S C 0.184 174.611 174.600 -0.288 0.000 1.240 738 S CA -0.696 57.319 58.200 -0.308 0.000 0.986 738 S CB 0.401 63.308 63.200 -0.489 0.000 0.985 738 S HN 0.632 nan 8.310 nan 0.000 0.562 739 S N 0.976 116.568 115.700 -0.180 0.000 2.549 739 S HA 0.204 4.680 4.470 0.011 0.000 0.286 739 S C 0.733 175.200 174.600 -0.222 0.000 1.314 739 S CA -0.039 58.068 58.200 -0.155 0.000 1.062 739 S CB 0.319 63.459 63.200 -0.100 0.000 0.865 739 S HN 1.441 nan 8.310 nan 0.000 0.498 740 K N 0.265 120.537 120.400 -0.213 0.000 3.615 740 K HA -0.267 4.059 4.320 0.011 0.000 0.269 740 K C -0.274 176.140 176.600 -0.310 0.000 1.107 740 K CA 1.759 57.883 56.287 -0.272 0.000 1.059 740 K CB -2.487 29.861 32.500 -0.254 0.000 1.317 740 K HN 1.078 nan 8.250 nan 0.000 0.494 741 H N -0.488 118.459 119.070 -0.205 0.000 2.747 741 H HA 0.822 5.384 4.556 0.010 0.000 0.371 741 H C 0.111 175.266 175.328 -0.288 0.000 1.161 741 H CA -0.443 55.420 56.048 -0.309 0.000 1.167 741 H CB 2.449 32.087 29.762 -0.206 0.000 1.732 741 H HN 0.369 nan 8.280 nan 0.000 0.544 742 G N 0.648 109.247 108.800 -0.335 0.000 2.721 742 G HA2 0.468 4.434 3.960 0.011 0.000 0.296 742 G HA3 0.468 4.434 3.960 0.011 0.000 0.296 742 G C -1.928 172.785 174.900 -0.311 0.000 1.383 742 G CA -0.906 44.079 45.100 -0.191 0.000 0.788 742 G HN 0.399 nan 8.290 nan 0.000 0.500 743 F N -0.944 119.024 119.950 0.030 0.000 2.450 743 F HA 0.821 5.353 4.527 0.009 0.000 0.328 743 F C 0.208 176.094 175.800 0.142 0.000 1.068 743 F CA -0.606 57.481 58.000 0.144 0.000 1.007 743 F CB 2.052 41.133 39.000 0.134 0.000 1.251 743 F HN 0.134 nan 8.300 nan 0.000 0.492 744 L N 0.609 122.082 121.223 0.417 0.000 2.445 744 L HA 0.353 4.700 4.340 0.011 0.000 0.262 744 L C -0.547 176.559 176.870 0.395 0.000 0.974 744 L CA -0.836 54.218 54.840 0.356 0.000 0.822 744 L CB 1.969 44.163 42.059 0.225 0.000 1.339 744 L HN 0.502 nan 8.230 nan 0.000 0.409 745 Q N 0.988 121.014 119.800 0.375 0.000 2.361 745 Q HA 0.045 4.392 4.340 0.011 0.000 0.276 745 Q C -1.543 174.570 176.000 0.189 0.000 1.022 745 Q CA 0.152 56.141 55.803 0.309 0.000 0.898 745 Q CB 0.732 29.646 28.738 0.293 0.000 1.246 745 Q HN 0.492 nan 8.270 nan 0.000 0.410 746 Y N 3.866 124.191 120.300 0.043 0.000 2.335 746 Y HA 0.410 4.966 4.550 0.011 0.000 0.339 746 Y C -0.899 174.985 175.900 -0.026 0.000 0.987 746 Y CA -0.856 57.253 58.100 0.015 0.000 1.140 746 Y CB 0.921 39.428 38.460 0.077 0.000 1.173 746 Y HN 0.364 nan 8.280 nan 0.000 0.486 747 V N 4.210 123.695 119.914 -0.714 0.000 2.459 747 V HA 0.409 4.535 4.120 0.011 0.000 0.295 747 V C -0.240 175.356 176.094 -0.829 0.000 1.029 747 V CA -0.887 61.054 62.300 -0.598 0.000 0.874 747 V CB 1.632 33.209 31.823 -0.409 0.000 0.985 747 V HN 0.809 nan 8.190 nan 0.000 0.438 748 D N 4.086 124.179 120.400 -0.511 0.000 2.389 748 D HA 0.328 4.975 4.640 0.011 0.000 0.263 748 D C 0.169 176.431 176.300 -0.063 0.000 1.255 748 D CA 0.928 54.775 54.000 -0.254 0.000 0.914 748 D CB 0.959 41.741 40.800 -0.031 0.000 1.116 748 D HN 1.054 nan 8.370 nan 0.000 0.502 749 S N 1.555 117.258 115.700 0.005 0.000 2.588 749 S HA 0.441 4.918 4.470 0.011 0.000 0.269 749 S C -1.014 173.620 174.600 0.056 0.000 1.157 749 S CA -0.944 57.316 58.200 0.099 0.000 0.824 749 S CB 1.960 65.288 63.200 0.214 0.000 1.126 749 S HN 0.469 nan 8.310 nan 0.000 0.464 750 C N 2.035 121.316 119.300 -0.032 0.000 2.441 750 C HA 0.812 5.278 4.460 0.011 0.000 0.318 750 C C 0.794 175.654 174.990 -0.216 0.000 1.222 750 C CA 0.116 59.063 59.018 -0.119 0.000 1.474 750 C CB 0.976 28.577 27.740 -0.231 0.000 2.125 750 C HN 1.114 nan 8.230 nan 0.000 0.479 751 T N 2.492 116.936 114.554 -0.184 0.000 2.903 751 T HA 0.116 4.473 4.350 0.011 0.000 0.314 751 T C 1.253 175.793 174.700 -0.268 0.000 1.078 751 T CA 0.149 62.112 62.100 -0.228 0.000 1.114 751 T CB 0.755 69.529 68.868 -0.158 0.000 0.987 751 T HN 0.562 nan 8.240 nan 0.000 0.548 752 V N 3.996 123.749 119.914 -0.269 0.000 2.407 752 V HA -0.103 4.023 4.120 0.011 0.000 0.248 752 V C 2.893 178.852 176.094 -0.225 0.000 1.055 752 V CA 2.384 64.525 62.300 -0.265 0.000 1.049 752 V CB -1.374 30.314 31.823 -0.225 0.000 0.662 752 V HN 1.038 nan 8.190 nan 0.000 0.455 753 A N -0.807 121.908 122.820 -0.175 0.000 1.969 753 A HA -0.213 4.113 4.320 0.011 0.000 0.218 753 A C 2.152 179.649 177.584 -0.145 0.000 1.169 753 A CA 1.686 53.640 52.037 -0.139 0.000 0.635 753 A CB -0.385 18.549 19.000 -0.109 0.000 0.810 753 A HN 0.620 nan 8.150 nan 0.000 0.445 754 E N -0.470 119.634 120.200 -0.160 0.000 2.072 754 E HA -0.107 4.249 4.350 0.011 0.000 0.191 754 E C 1.950 178.435 176.600 -0.192 0.000 0.985 754 E CA 1.210 57.521 56.400 -0.148 0.000 0.801 754 E CB -0.185 29.432 29.700 -0.138 0.000 0.750 754 E HN 0.374 nan 8.360 nan 0.000 0.452 755 V N 1.403 121.143 119.914 -0.290 0.000 2.407 755 V HA -0.234 3.892 4.120 0.011 0.000 0.248 755 V C 2.214 178.160 176.094 -0.247 0.000 1.055 755 V CA 1.361 63.423 62.300 -0.396 0.000 1.049 755 V CB -0.314 31.113 31.823 -0.660 0.000 0.662 755 V HN 0.289 nan 8.190 nan 0.000 0.455 756 L N -0.301 120.799 121.223 -0.205 0.000 2.156 756 L HA -0.073 4.274 4.340 0.011 0.000 0.208 756 L C 2.561 179.366 176.870 -0.108 0.000 1.095 756 L CA 1.382 56.133 54.840 -0.148 0.000 0.770 756 L CB -0.595 41.385 42.059 -0.133 0.000 0.914 756 L HN 0.371 nan 8.230 nan 0.000 0.439 757 A N -0.126 122.630 122.820 -0.106 0.000 1.984 757 A HA -0.123 4.203 4.320 0.011 0.000 0.214 757 A C 2.316 179.860 177.584 -0.066 0.000 1.173 757 A CA 0.984 52.974 52.037 -0.078 0.000 0.673 757 A CB -0.193 18.763 19.000 -0.074 0.000 0.830 757 A HN 0.264 nan 8.150 nan 0.000 0.453 758 R N -0.005 120.451 120.500 -0.074 0.000 2.090 758 R HA 0.145 4.492 4.340 0.011 0.000 0.219 758 R C 0.055 176.336 176.300 -0.031 0.000 1.100 758 R CA 1.102 57.173 56.100 -0.048 0.000 0.991 758 R CB -0.123 30.152 30.300 -0.043 0.000 0.893 758 R HN 0.397 nan 8.270 nan 0.000 0.443 759 E N -1.880 118.298 120.200 -0.038 0.000 2.235 759 E HA 0.396 4.752 4.350 0.011 0.000 0.265 759 E C 0.578 177.155 176.600 -0.038 0.000 0.940 759 E CA 0.120 56.512 56.400 -0.013 0.000 0.819 759 E CB 1.586 31.310 29.700 0.040 0.000 1.206 759 E HN 0.233 nan 8.360 nan 0.000 0.409 760 G N 1.804 110.588 108.800 -0.026 0.000 2.440 760 G HA2 -0.178 3.789 3.960 0.011 0.000 0.218 760 G HA3 -0.178 3.789 3.960 0.011 0.000 0.218 760 G C 0.032 174.899 174.900 -0.055 0.000 1.154 760 G CA 1.242 46.321 45.100 -0.035 0.000 0.767 760 G HN 0.608 nan 8.290 nan 0.000 0.552 761 N N -2.390 116.273 118.700 -0.061 0.000 2.823 761 N HA 0.249 4.995 4.740 0.011 0.000 0.251 761 N C 0.559 175.979 175.510 -0.151 0.000 1.392 761 N CA -0.814 52.174 53.050 -0.102 0.000 0.864 761 N CB 0.438 38.887 38.487 -0.063 0.000 1.481 761 N HN -0.091 nan 8.380 nan 0.000 0.508 762 I N -0.245 120.152 120.570 -0.289 0.000 2.194 762 I HA -0.335 3.841 4.170 0.011 0.000 0.246 762 I C 1.666 177.456 176.117 -0.546 0.000 1.093 762 I CA 1.716 62.717 61.300 -0.498 0.000 1.355 762 I CB -0.496 37.074 38.000 -0.716 0.000 1.046 762 I HN 0.607 nan 8.210 nan 0.000 0.413 763 H N 0.387 119.266 119.070 -0.320 0.000 2.387 763 H HA -0.124 4.438 4.556 0.011 0.000 0.299 763 H C 2.190 177.478 175.328 -0.066 0.000 1.090 763 H CA 1.318 57.263 56.048 -0.172 0.000 1.332 763 H CB 0.053 29.738 29.762 -0.128 0.000 1.386 763 H HN 0.282 nan 8.280 nan 0.000 0.516 764 N N 0.175 118.918 118.700 0.071 0.000 2.188 764 N HA -0.152 4.595 4.740 0.011 0.000 0.184 764 N C 1.720 177.273 175.510 0.072 0.000 1.018 764 N CA 0.873 53.960 53.050 0.063 0.000 0.858 764 N CB -0.251 38.260 38.487 0.039 0.000 0.989 764 N HN 0.284 nan 8.380 nan 0.000 0.426 765 F N 0.900 120.787 119.950 -0.104 0.000 2.146 765 F HA -0.043 4.491 4.527 0.010 0.000 0.298 765 F C 1.866 177.741 175.800 0.125 0.000 1.096 765 F CA 0.983 58.947 58.000 -0.059 0.000 1.275 765 F CB -0.518 38.364 39.000 -0.197 0.000 1.008 765 F HN -0.166 nan 8.300 nan 0.000 0.480 766 F N 0.980 120.787 119.950 -0.238 0.000 2.146 766 F HA -0.011 4.522 4.527 0.010 0.000 0.298 766 F C 2.763 178.500 175.800 -0.105 0.000 1.096 766 F CA 1.393 59.229 58.000 -0.274 0.000 1.275 766 F CB -1.247 37.682 39.000 -0.118 0.000 1.008 766 F HN -0.024 nan 8.300 nan 0.000 0.480 767 R N 0.645 121.236 120.500 0.153 0.000 2.092 767 R HA -0.165 4.182 4.340 0.011 0.000 0.231 767 R C 2.325 178.626 176.300 0.002 0.000 1.119 767 R CA 1.415 57.573 56.100 0.097 0.000 0.970 767 R CB -0.179 30.173 30.300 0.088 0.000 0.864 767 R HN 0.211 nan 8.270 nan 0.000 0.440 768 K N -0.641 119.715 120.400 -0.073 0.000 2.097 768 K HA -0.179 4.147 4.320 0.011 0.000 0.206 768 K C 1.626 178.027 176.600 -0.331 0.000 1.049 768 K CA 1.534 57.699 56.287 -0.203 0.000 0.933 768 K CB -0.050 32.291 32.500 -0.266 0.000 0.717 768 K HN 0.346 nan 8.250 nan 0.000 0.442 769 H N -1.356 117.621 119.070 -0.156 0.000 2.465 769 H HA 0.064 4.627 4.556 0.011 0.000 0.289 769 H C 0.310 175.336 175.328 -0.504 0.000 1.022 769 H CA 0.866 56.739 56.048 -0.291 0.000 1.340 769 H CB 0.440 30.030 29.762 -0.286 0.000 1.437 769 H HN 0.272 nan 8.280 nan 0.000 0.539 770 H N -0.047 119.042 119.070 0.032 0.000 2.514 770 H HA 0.184 4.747 4.556 0.010 0.000 0.226 770 H C -2.624 172.710 175.328 0.010 0.000 1.421 770 H CA -1.507 54.548 56.048 0.012 0.000 1.394 770 H CB 1.390 31.143 29.762 -0.015 0.000 1.701 770 H HN 0.227 nan 8.280 nan 0.000 0.515 771 P HA 0.079 nan 4.420 nan 0.000 0.276 771 P C 0.045 177.380 177.300 0.058 0.000 1.230 771 P CA -0.110 63.022 63.100 0.053 0.000 0.776 771 P CB 1.451 33.160 31.700 0.014 0.000 0.888 772 C N 4.182 123.518 119.300 0.059 0.000 2.478 772 C HA 0.189 4.655 4.460 0.011 0.000 0.334 772 C C 1.629 176.640 174.990 0.036 0.000 1.106 772 C CA -0.416 58.630 59.018 0.047 0.000 1.363 772 C CB -0.406 27.366 27.740 0.053 0.000 1.941 772 C HN 0.601 nan 8.230 nan 0.000 0.436 773 D N 2.384 122.798 120.400 0.023 0.000 2.172 773 D HA -0.135 4.511 4.640 0.011 0.000 0.196 773 D C 1.574 177.879 176.300 0.008 0.000 0.999 773 D CA 1.676 55.684 54.000 0.013 0.000 0.856 773 D CB 0.235 41.039 40.800 0.008 0.000 0.934 773 D HN 0.660 nan 8.370 nan 0.000 0.453 774 N N -0.368 118.339 118.700 0.012 0.000 2.171 774 N HA 0.025 4.772 4.740 0.011 0.000 0.184 774 N C 1.179 176.688 175.510 -0.001 0.000 1.021 774 N CA 1.333 54.386 53.050 0.005 0.000 0.854 774 N CB 0.421 38.914 38.487 0.010 0.000 0.994 774 N HN 0.290 nan 8.380 nan 0.000 0.426 775 G N -1.465 107.344 108.800 0.014 0.000 2.336 775 G HA2 0.106 4.073 3.960 0.011 0.000 0.286 775 G HA3 0.106 4.073 3.960 0.011 0.000 0.286 775 G C -2.284 172.658 174.900 0.069 0.000 1.269 775 G CA -0.499 44.606 45.100 0.008 0.000 0.873 775 G HN -0.181 nan 8.290 nan 0.000 0.494 776 P HA -0.013 nan 4.420 nan 0.000 0.214 776 P C 0.384 177.598 177.300 -0.142 0.000 1.163 776 P CA 1.591 64.741 63.100 0.084 0.000 0.889 776 P CB -0.024 31.902 31.700 0.376 0.000 0.790 777 Y N -2.214 118.069 120.300 -0.027 0.000 2.736 777 Y HA 0.497 5.054 4.550 0.011 0.000 0.293 777 Y C 1.447 177.310 175.900 -0.061 0.000 1.062 777 Y CA -0.146 57.892 58.100 -0.104 0.000 1.247 777 Y CB -0.154 38.123 38.460 -0.305 0.000 1.200 777 Y HN 0.035 nan 8.280 nan 0.000 0.552 778 G N 0.747 109.591 108.800 0.073 0.000 2.155 778 G HA2 -0.308 3.658 3.960 0.011 0.000 0.257 778 G HA3 -0.308 3.658 3.960 0.011 0.000 0.257 778 G C -0.103 174.853 174.900 0.094 0.000 0.983 778 G CA 0.255 45.392 45.100 0.062 0.000 0.676 778 G HN 0.377 nan 8.290 nan 0.000 0.528 779 I N 0.948 121.598 120.570 0.134 0.000 2.441 779 I HA 0.421 4.597 4.170 0.011 0.000 0.295 779 I C 0.804 176.975 176.117 0.091 0.000 0.994 779 I CA -0.840 60.538 61.300 0.131 0.000 1.144 779 I CB 1.982 40.086 38.000 0.173 0.000 1.314 779 I HN 0.014 nan 8.210 nan 0.000 0.445 780 S N 3.585 119.326 115.700 0.068 0.000 2.558 780 S HA 0.035 4.511 4.470 0.011 0.000 0.293 780 S C 1.353 175.953 174.600 -0.000 0.000 1.292 780 S CA 0.186 58.407 58.200 0.034 0.000 1.063 780 S CB 1.066 64.280 63.200 0.024 0.000 0.831 780 S HN 0.785 nan 8.310 nan 0.000 0.499 781 A N 4.172 127.011 122.820 0.032 0.000 1.908 781 A HA -0.173 4.153 4.320 0.011 0.000 0.218 781 A C 1.864 179.460 177.584 0.021 0.000 1.181 781 A CA 1.875 53.950 52.037 0.064 0.000 0.627 781 A CB -0.650 18.402 19.000 0.087 0.000 0.818 781 A HN 0.837 nan 8.150 nan 0.000 0.445 782 E N -0.104 120.078 120.200 -0.031 0.000 2.110 782 E HA -0.109 4.247 4.350 0.011 0.000 0.193 782 E C 1.790 178.321 176.600 -0.115 0.000 0.988 782 E CA 1.231 57.599 56.400 -0.053 0.000 0.804 782 E CB -0.617 29.038 29.700 -0.075 0.000 0.745 782 E HN 0.370 nan 8.360 nan 0.000 0.458 783 V N 0.624 120.406 119.914 -0.220 0.000 2.358 783 V HA -0.230 3.896 4.120 0.011 0.000 0.246 783 V C 2.118 177.994 176.094 -0.362 0.000 1.047 783 V CA 1.458 63.520 62.300 -0.395 0.000 1.035 783 V CB -0.358 31.130 31.823 -0.559 0.000 0.658 783 V HN 0.311 nan 8.190 nan 0.000 0.452 784 M N -0.093 119.386 119.600 -0.202 0.000 2.175 784 M HA -0.114 4.372 4.480 0.011 0.000 0.264 784 M C 1.979 178.327 176.300 0.080 0.000 1.063 784 M CA 1.710 56.956 55.300 -0.090 0.000 1.119 784 M CB -1.222 31.320 32.600 -0.097 0.000 1.377 784 M HN 0.467 nan 8.290 nan 0.000 0.415 785 D N -0.515 119.942 120.400 0.095 0.000 2.149 785 D HA -0.129 4.518 4.640 0.011 0.000 0.201 785 D C 1.951 178.303 176.300 0.086 0.000 0.972 785 D CA 1.839 55.926 54.000 0.146 0.000 0.835 785 D CB 0.190 41.052 40.800 0.104 0.000 0.966 785 D HN 0.366 nan 8.370 nan 0.000 0.476 786 T N -2.065 112.506 114.554 0.027 0.000 2.942 786 T HA -0.173 4.184 4.350 0.011 0.000 0.265 786 T C 2.014 176.753 174.700 0.065 0.000 1.062 786 T CA 0.910 63.026 62.100 0.027 0.000 1.139 786 T CB -0.766 68.100 68.868 -0.004 0.000 0.883 786 T HN 0.309 nan 8.240 nan 0.000 0.468 787 Y N 1.032 121.304 120.300 -0.046 0.000 2.224 787 Y HA 0.083 4.639 4.550 0.010 0.000 0.289 787 Y C 1.839 177.786 175.900 0.079 0.000 1.146 787 Y CA 0.800 58.920 58.100 0.033 0.000 1.182 787 Y CB -0.503 37.985 38.460 0.047 0.000 0.983 787 Y HN 0.216 nan 8.280 nan 0.000 0.524 788 I N 0.752 121.283 120.570 -0.065 0.000 2.315 788 I HA -0.219 3.957 4.170 0.011 0.000 0.248 788 I C 2.263 178.382 176.117 0.004 0.000 1.117 788 I CA 1.469 62.733 61.300 -0.060 0.000 1.404 788 I CB -0.464 37.645 38.000 0.181 0.000 1.071 788 I HN 0.151 nan 8.210 nan 0.000 0.419 789 K N -0.537 119.880 120.400 0.027 0.000 2.116 789 K HA -0.011 4.315 4.320 0.011 0.000 0.203 789 K C 2.170 178.808 176.600 0.063 0.000 1.052 789 K CA 1.291 57.605 56.287 0.045 0.000 0.952 789 K CB -0.064 32.459 32.500 0.038 0.000 0.729 789 K HN 0.202 nan 8.250 nan 0.000 0.446 790 S N 0.798 116.539 115.700 0.068 0.000 2.382 790 S HA -0.163 4.314 4.470 0.011 0.000 0.228 790 S C 2.116 176.841 174.600 0.209 0.000 1.027 790 S CA 0.868 59.180 58.200 0.187 0.000 0.991 790 S CB -0.348 62.962 63.200 0.183 0.000 0.823 790 S HN 0.357 nan 8.310 nan 0.000 0.469 791 C N 1.391 120.695 119.300 0.006 0.000 2.450 791 C HA 0.183 4.650 4.460 0.011 0.000 0.279 791 C C 2.982 178.134 174.990 0.270 0.000 1.335 791 C CA 0.561 59.583 59.018 0.008 0.000 1.749 791 C CB -1.296 26.212 27.740 -0.387 0.000 1.963 791 C HN 0.681 nan 8.230 nan 0.000 0.501 792 A N -0.041 122.932 122.820 0.255 0.000 1.935 792 A HA 0.212 4.539 4.320 0.011 0.000 0.214 792 A C 2.333 179.942 177.584 0.040 0.000 1.178 792 A CA 1.633 53.748 52.037 0.130 0.000 0.640 792 A CB -0.999 17.965 19.000 -0.060 0.000 0.825 792 A HN 0.517 nan 8.150 nan 0.000 0.447 793 G N -1.683 107.147 108.800 0.050 0.000 2.394 793 G HA2 -0.155 3.811 3.960 0.011 0.000 0.215 793 G HA3 -0.155 3.811 3.960 0.011 0.000 0.215 793 G C 1.445 176.283 174.900 -0.103 0.000 1.165 793 G CA 1.035 46.105 45.100 -0.050 0.000 0.784 793 G HN 0.504 nan 8.290 nan 0.000 0.535 794 Y N -0.281 120.064 120.300 0.074 0.000 2.314 794 Y HA -0.011 4.545 4.550 0.010 0.000 0.293 794 Y C 2.990 178.905 175.900 0.023 0.000 1.129 794 Y CA 0.538 58.678 58.100 0.068 0.000 1.201 794 Y CB -0.292 38.299 38.460 0.218 0.000 0.999 794 Y HN 0.245 nan 8.280 nan 0.000 0.541 795 C N -1.170 118.243 119.300 0.189 0.000 2.440 795 C HA -0.095 4.372 4.460 0.011 0.000 0.278 795 C C 2.713 177.740 174.990 0.063 0.000 1.295 795 C CA 0.953 60.057 59.018 0.144 0.000 1.738 795 C CB -0.970 26.879 27.740 0.182 0.000 1.987 795 C HN 0.344 nan 8.230 nan 0.000 0.492 796 V N 0.428 120.350 119.914 0.014 0.000 2.488 796 V HA -0.114 4.012 4.120 0.011 0.000 0.246 796 V C 2.029 178.161 176.094 0.063 0.000 1.046 796 V CA 1.748 64.062 62.300 0.023 0.000 1.053 796 V CB -0.427 31.399 31.823 0.005 0.000 0.679 796 V HN 0.513 nan 8.190 nan 0.000 0.458 797 I N -0.127 120.423 120.570 -0.032 0.000 2.617 797 I HA -0.145 4.031 4.170 0.011 0.000 0.256 797 I C 2.353 178.417 176.117 -0.088 0.000 1.167 797 I CA 1.252 62.495 61.300 -0.095 0.000 1.469 797 I CB -0.289 37.572 38.000 -0.230 0.000 1.098 797 I HN 0.295 nan 8.210 nan 0.000 0.436 798 T N -0.251 114.270 114.554 -0.055 0.000 2.942 798 T HA -0.177 4.180 4.350 0.011 0.000 0.265 798 T C 1.710 176.421 174.700 0.018 0.000 1.062 798 T CA 0.996 63.068 62.100 -0.047 0.000 1.139 798 T CB -0.260 68.554 68.868 -0.089 0.000 0.883 798 T HN 0.383 nan 8.240 nan 0.000 0.468 799 Y N 1.487 121.757 120.300 -0.051 0.000 2.263 799 Y HA 0.159 4.716 4.550 0.011 0.000 0.292 799 Y C 1.775 177.656 175.900 -0.032 0.000 1.130 799 Y CA 0.770 58.845 58.100 -0.042 0.000 1.179 799 Y CB -0.467 37.944 38.460 -0.081 0.000 0.998 799 Y HN 0.102 nan 8.280 nan 0.000 0.532 800 L N -0.410 120.628 121.223 -0.309 0.000 2.179 800 L HA -0.097 4.249 4.340 0.011 0.000 0.208 800 L C 1.832 178.509 176.870 -0.320 0.000 1.096 800 L CA 0.851 55.466 54.840 -0.375 0.000 0.779 800 L CB -0.149 41.842 42.059 -0.113 0.000 0.922 800 L HN 0.279 nan 8.230 nan 0.000 0.443 801 L N -1.225 119.870 121.223 -0.215 0.000 2.616 801 L HA 0.251 4.597 4.340 0.011 0.000 0.229 801 L C 1.262 178.069 176.870 -0.106 0.000 1.110 801 L CA 0.414 55.159 54.840 -0.158 0.000 0.884 801 L CB 0.097 42.091 42.059 -0.109 0.000 1.115 801 L HN 0.382 nan 8.230 nan 0.000 0.481 802 G N 0.938 109.667 108.800 -0.118 0.000 2.176 802 G HA2 -0.248 3.719 3.960 0.011 0.000 0.252 802 G HA3 -0.248 3.719 3.960 0.011 0.000 0.252 802 G C 0.234 175.161 174.900 0.044 0.000 1.024 802 G CA 0.096 45.166 45.100 -0.051 0.000 0.755 802 G HN 0.095 nan 8.290 nan 0.000 0.507 803 V N 0.505 120.460 119.914 0.068 0.000 2.540 803 V HA 0.482 4.609 4.120 0.011 0.000 0.297 803 V C 1.399 177.590 176.094 0.162 0.000 1.024 803 V CA 0.936 63.334 62.300 0.163 0.000 1.105 803 V CB 0.863 32.826 31.823 0.232 0.000 0.938 803 V HN 0.775 nan 8.190 nan 0.000 0.482 804 G N 2.574 111.489 108.800 0.192 0.000 2.820 804 G HA2 0.552 4.519 3.960 0.011 0.000 0.291 804 G HA3 0.552 4.519 3.960 0.011 0.000 0.291 804 G C 0.024 174.947 174.900 0.039 0.000 1.323 804 G CA 0.106 45.280 45.100 0.123 0.000 1.055 804 G HN 0.872 nan 8.290 nan 0.000 0.520 805 D N -2.140 118.182 120.400 -0.130 0.000 2.981 805 D HA -0.145 4.501 4.640 0.011 0.000 0.223 805 D C 0.334 176.418 176.300 -0.360 0.000 1.151 805 D CA 0.492 54.320 54.000 -0.287 0.000 0.827 805 D CB -0.533 39.989 40.800 -0.462 0.000 1.101 805 D HN 0.294 nan 8.370 nan 0.000 0.426 806 R N 1.258 121.622 120.500 -0.227 0.000 2.543 806 R HA 0.570 4.916 4.340 0.011 0.000 0.277 806 R C 0.625 176.706 176.300 -0.364 0.000 1.074 806 R CA 0.294 56.224 56.100 -0.283 0.000 1.076 806 R CB 0.436 30.723 30.300 -0.021 0.000 0.993 806 R HN 0.605 nan 8.270 nan 0.000 0.459 807 H N -0.475 118.547 119.070 -0.080 0.000 2.902 807 H HA 0.169 4.731 4.556 0.010 0.000 0.297 807 H C -0.085 175.164 175.328 -0.133 0.000 1.406 807 H CA -0.905 55.086 56.048 -0.094 0.000 1.134 807 H CB 0.372 30.082 29.762 -0.087 0.000 1.833 807 H HN 0.133 nan 8.280 nan 0.000 0.527 808 L N 0.740 122.006 121.223 0.073 0.000 2.265 808 L HA -0.098 4.249 4.340 0.011 0.000 0.215 808 L C 1.467 178.295 176.870 -0.070 0.000 1.117 808 L CA 1.275 56.087 54.840 -0.047 0.000 0.782 808 L CB -1.184 40.833 42.059 -0.071 0.000 0.914 808 L HN 0.630 nan 8.230 nan 0.000 0.441 809 D N -0.872 119.542 120.400 0.023 0.000 2.277 809 D HA -0.107 4.540 4.640 0.011 0.000 0.208 809 D C 1.412 177.685 176.300 -0.045 0.000 0.962 809 D CA 0.513 54.514 54.000 0.001 0.000 0.865 809 D CB 0.291 41.118 40.800 0.046 0.000 0.939 809 D HN 0.330 nan 8.370 nan 0.000 0.510 810 N N -0.062 118.596 118.700 -0.071 0.000 2.415 810 N HA 0.059 4.805 4.740 0.011 0.000 0.174 810 N C 0.288 175.569 175.510 -0.382 0.000 1.048 810 N CA 0.134 53.043 53.050 -0.235 0.000 0.895 810 N CB 0.866 39.135 38.487 -0.364 0.000 1.036 810 N HN 0.090 nan 8.380 nan 0.000 0.449 811 L N 1.992 122.967 121.223 -0.413 0.000 2.325 811 L HA 0.466 4.812 4.340 0.011 0.000 0.279 811 L C 0.109 176.657 176.870 -0.536 0.000 1.054 811 L CA -0.302 54.193 54.840 -0.576 0.000 0.804 811 L CB 1.396 43.161 42.059 -0.489 0.000 1.200 811 L HN -0.089 nan 8.230 nan 0.000 0.436 812 L N 2.533 123.287 121.223 -0.780 0.000 2.256 812 L HA 0.629 4.975 4.340 0.011 0.000 0.261 812 L C -0.791 175.749 176.870 -0.549 0.000 1.022 812 L CA -1.033 53.383 54.840 -0.707 0.000 0.828 812 L CB 1.978 43.514 42.059 -0.871 0.000 1.374 812 L HN 0.246 nan 8.230 nan 0.000 0.436 813 L N 0.084 121.131 121.223 -0.294 0.000 2.303 813 L HA 0.737 5.083 4.340 0.011 0.000 0.266 813 L C 0.199 177.186 176.870 0.195 0.000 1.011 813 L CA -0.078 54.763 54.840 0.001 0.000 0.818 813 L CB 2.009 44.078 42.059 0.016 0.000 1.326 813 L HN 0.888 nan 8.230 nan 0.000 0.435 814 T N -3.373 111.412 114.554 0.385 0.000 2.883 814 T HA 0.399 4.756 4.350 0.011 0.000 0.284 814 T C 0.963 175.909 174.700 0.409 0.000 1.041 814 T CA 0.325 62.643 62.100 0.363 0.000 1.007 814 T CB 1.158 70.182 68.868 0.260 0.000 1.220 814 T HN 0.700 nan 8.240 nan 0.000 0.552 815 T N -0.331 114.339 114.554 0.193 0.000 2.904 815 T HA -0.029 4.327 4.350 0.011 0.000 0.267 815 T C 1.505 176.263 174.700 0.097 0.000 1.059 815 T CA 0.849 62.946 62.100 -0.006 0.000 1.137 815 T CB -0.653 68.091 68.868 -0.206 0.000 0.879 815 T HN 0.556 nan 8.240 nan 0.000 0.467 816 N N 1.571 120.312 118.700 0.068 0.000 2.573 816 N HA 0.171 4.917 4.740 0.011 0.000 0.187 816 N C 1.595 177.003 175.510 -0.170 0.000 1.107 816 N CA 1.021 54.024 53.050 -0.078 0.000 0.918 816 N CB -0.235 38.236 38.487 -0.027 0.000 0.966 816 N HN 0.762 nan 8.380 nan 0.000 0.448 817 G N -0.675 108.096 108.800 -0.048 0.000 2.231 817 G HA2 -0.230 3.736 3.960 0.011 0.000 0.206 817 G HA3 -0.230 3.736 3.960 0.011 0.000 0.206 817 G C 0.101 175.149 174.900 0.246 0.000 0.996 817 G CA -0.370 44.678 45.100 -0.087 0.000 0.645 817 G HN 0.280 nan 8.290 nan 0.000 0.498 818 K N 0.075 120.633 120.400 0.263 0.000 2.154 818 K HA 0.634 4.960 4.320 0.011 0.000 0.264 818 K C -0.223 176.591 176.600 0.357 0.000 1.008 818 K CA -0.512 55.940 56.287 0.275 0.000 0.937 818 K CB 1.848 34.507 32.500 0.264 0.000 1.002 818 K HN 0.234 nan 8.250 nan 0.000 0.469 819 L N 2.850 124.246 121.223 0.288 0.000 2.334 819 L HA 0.590 4.936 4.340 0.011 0.000 0.272 819 L C -1.043 175.893 176.870 0.110 0.000 1.020 819 L CA -0.221 54.712 54.840 0.155 0.000 0.812 819 L CB 0.724 42.833 42.059 0.083 0.000 1.264 819 L HN 0.636 nan 8.230 nan 0.000 0.439 820 F N -0.399 119.370 119.950 -0.302 0.000 2.754 820 F HA 0.601 5.135 4.527 0.010 0.000 0.320 820 F C -0.540 174.958 175.800 -0.503 0.000 1.156 820 F CA -1.069 56.498 58.000 -0.723 0.000 0.950 820 F CB 1.037 39.856 39.000 -0.302 0.000 1.388 820 F HN 0.403 nan 8.300 nan 0.000 0.485 821 H N 0.328 119.196 119.070 -0.337 0.000 2.585 821 H HA 0.770 5.332 4.556 0.010 0.000 0.338 821 H C -0.791 174.623 175.328 0.143 0.000 1.295 821 H CA -0.709 55.329 56.048 -0.017 0.000 1.356 821 H CB 2.495 32.451 29.762 0.324 0.000 1.736 821 H HN 0.457 nan 8.280 nan 0.000 0.629 822 I N -0.169 120.282 120.570 -0.199 0.000 3.229 822 I HA -0.012 4.164 4.170 0.011 0.000 0.313 822 I C -1.035 174.612 176.117 -0.783 0.000 1.317 822 I CA -0.596 60.503 61.300 -0.336 0.000 0.940 822 I CB 2.293 40.213 38.000 -0.133 0.000 1.315 822 I HN 0.729 nan 8.210 nan 0.000 0.484 823 D N 2.514 122.626 120.400 -0.479 0.000 3.133 823 D HA -0.241 4.406 4.640 0.011 0.000 0.239 823 D C -1.152 174.947 176.300 -0.335 0.000 1.136 823 D CA 0.672 54.500 54.000 -0.287 0.000 0.898 823 D CB -1.044 39.651 40.800 -0.175 0.000 0.959 823 D HN 0.289 nan 8.370 nan 0.000 0.415 824 F N 0.562 120.589 119.950 0.130 0.000 2.606 824 F HA 0.465 4.999 4.527 0.010 0.000 0.347 824 F C 1.966 177.826 175.800 0.100 0.000 1.207 824 F CA 0.019 58.091 58.000 0.120 0.000 1.306 824 F CB 0.595 39.658 39.000 0.106 0.000 1.657 824 F HN 0.280 nan 8.300 nan 0.000 0.606 825 G N -0.394 108.541 108.800 0.224 0.000 2.551 825 G HA2 -0.088 3.878 3.960 0.011 0.000 0.216 825 G HA3 -0.088 3.878 3.960 0.011 0.000 0.216 825 G C -0.012 174.937 174.900 0.081 0.000 1.137 825 G CA 0.283 45.477 45.100 0.157 0.000 0.798 825 G HN 0.358 nan 8.290 nan 0.000 0.536 826 Y N -0.670 119.691 120.300 0.102 0.000 2.341 826 Y HA 0.669 5.226 4.550 0.011 0.000 0.338 826 Y C -0.549 175.422 175.900 0.117 0.000 0.965 826 Y CA -1.034 57.120 58.100 0.090 0.000 1.108 826 Y CB 2.059 40.560 38.460 0.067 0.000 1.180 826 Y HN -0.100 nan 8.280 nan 0.000 0.458 827 I N 2.636 123.315 120.570 0.183 0.000 2.994 827 I HA 0.382 4.558 4.170 0.011 0.000 0.306 827 I C -0.662 175.511 176.117 0.094 0.000 1.195 827 I CA -0.852 60.529 61.300 0.134 0.000 1.001 827 I CB 2.174 40.237 38.000 0.105 0.000 1.244 827 I HN 0.591 nan 8.210 nan 0.000 0.437 828 L N 5.917 127.176 121.223 0.061 0.000 3.660 828 L HA -0.245 4.101 4.340 0.011 0.000 0.440 828 L C 0.991 177.883 176.870 0.036 0.000 1.262 828 L CA 0.699 55.553 54.840 0.024 0.000 0.837 828 L CB -2.316 39.766 42.059 0.037 0.000 1.689 828 L HN 1.140 nan 8.230 nan 0.000 0.890 829 G N -1.071 107.761 108.800 0.054 0.000 2.159 829 G HA2 -0.282 3.685 3.960 0.011 0.000 0.256 829 G HA3 -0.282 3.685 3.960 0.011 0.000 0.256 829 G C 0.418 175.377 174.900 0.099 0.000 0.977 829 G CA 0.303 45.442 45.100 0.066 0.000 0.652 829 G HN 0.388 nan 8.290 nan 0.000 0.531 830 R N 0.650 121.234 120.500 0.139 0.000 2.390 830 R HA 0.564 4.910 4.340 0.011 0.000 0.291 830 R C -0.764 175.733 176.300 0.329 0.000 1.070 830 R CA -0.167 56.057 56.100 0.207 0.000 1.014 830 R CB 1.051 31.455 30.300 0.174 0.000 1.007 830 R HN 0.399 nan 8.270 nan 0.000 0.466 831 D N 1.329 121.886 120.400 0.261 0.000 2.756 831 D HA 0.301 4.947 4.640 0.011 0.000 0.226 831 D C -1.873 174.437 176.300 0.018 0.000 1.186 831 D CA -1.506 52.542 54.000 0.082 0.000 0.845 831 D CB 2.394 43.208 40.800 0.023 0.000 1.610 831 D HN 0.101 nan 8.370 nan 0.000 0.465 832 P HA -0.004 nan 4.420 nan 0.000 0.221 832 P C -0.440 176.841 177.300 -0.032 0.000 1.150 832 P CA 0.774 63.812 63.100 -0.104 0.000 0.800 832 P CB 0.275 31.835 31.700 -0.234 0.000 0.787 833 K N 0.240 120.613 120.400 -0.045 0.000 2.118 833 K HA 0.188 4.514 4.320 0.011 0.000 0.267 833 K C -1.519 175.088 176.600 0.013 0.000 0.991 833 K CA -1.828 54.453 56.287 -0.011 0.000 0.916 833 K CB 0.605 33.096 32.500 -0.015 0.000 1.041 833 K HN -0.082 nan 8.250 nan 0.000 0.455 834 P HA -0.139 nan 4.420 nan 0.000 0.221 834 P C 0.197 177.514 177.300 0.030 0.000 1.145 834 P CA 1.233 64.349 63.100 0.027 0.000 0.795 834 P CB 0.308 32.021 31.700 0.023 0.000 0.775 835 M N -0.619 118.997 119.600 0.025 0.000 2.513 835 M HA 0.415 4.901 4.480 0.011 0.000 0.291 835 M C -1.860 174.462 176.300 0.036 0.000 1.190 835 M CA -2.718 52.600 55.300 0.030 0.000 0.960 835 M CB -0.289 32.327 32.600 0.026 0.000 1.517 835 M HN -0.290 nan 8.290 nan 0.000 0.499 836 P HA 0.340 nan 4.420 nan 0.000 0.339 836 P C -2.552 174.771 177.300 0.039 0.000 1.376 836 P CA -0.460 62.669 63.100 0.049 0.000 0.797 836 P CB -1.032 30.701 31.700 0.056 0.000 1.872 837 P HA 0.118 nan 4.420 nan 0.000 0.269 837 P C -2.063 175.270 177.300 0.055 0.000 1.215 837 P CA -0.950 62.175 63.100 0.041 0.000 0.780 837 P CB -0.795 30.927 31.700 0.036 0.000 0.898 838 P HA -0.070 nan 4.420 nan 0.000 0.215 838 P C 0.370 177.712 177.300 0.070 0.000 1.153 838 P CA 1.694 64.833 63.100 0.064 0.000 0.853 838 P CB 0.104 31.788 31.700 -0.027 0.000 0.788 839 M N -0.692 118.918 119.600 0.017 0.000 2.436 839 M HA 0.288 4.774 4.480 0.011 0.000 0.331 839 M C -0.560 175.779 176.300 0.065 0.000 1.135 839 M CA -0.412 54.904 55.300 0.026 0.000 0.987 839 M CB 1.741 34.323 32.600 -0.030 0.000 1.687 839 M HN -0.428 nan 8.290 nan 0.000 0.445 840 K N 5.149 125.608 120.400 0.098 0.000 2.357 840 K HA 0.540 4.866 4.320 0.011 0.000 0.251 840 K C -1.548 175.111 176.600 0.098 0.000 1.069 840 K CA -0.008 56.342 56.287 0.104 0.000 0.994 840 K CB 0.176 32.766 32.500 0.149 0.000 1.411 840 K HN 0.658 nan 8.250 nan 0.000 0.450 841 L N 0.928 122.187 121.223 0.060 0.000 2.406 841 L HA 0.272 4.618 4.340 0.011 0.000 0.272 841 L C 0.194 177.070 176.870 0.010 0.000 0.980 841 L CA -0.582 54.276 54.840 0.030 0.000 0.831 841 L CB 2.226 44.298 42.059 0.022 0.000 1.253 841 L HN 0.339 nan 8.230 nan 0.000 0.406 842 S N 1.462 117.156 115.700 -0.010 0.000 2.576 842 S HA 0.050 4.527 4.470 0.011 0.000 0.276 842 S C 1.178 175.767 174.600 -0.019 0.000 1.339 842 S CA -0.223 57.965 58.200 -0.020 0.000 1.039 842 S CB 1.011 64.185 63.200 -0.043 0.000 0.902 842 S HN 0.704 nan 8.310 nan 0.000 0.516 843 K N 2.439 122.830 120.400 -0.016 0.000 2.127 843 K HA -0.218 4.109 4.320 0.011 0.000 0.208 843 K C 1.232 177.816 176.600 -0.027 0.000 1.047 843 K CA 2.116 58.395 56.287 -0.013 0.000 0.927 843 K CB -0.100 32.392 32.500 -0.013 0.000 0.716 843 K HN 0.585 nan 8.250 nan 0.000 0.450 844 E N 0.177 120.348 120.200 -0.048 0.000 2.150 844 E HA -0.101 4.256 4.350 0.011 0.000 0.193 844 E C 1.896 178.441 176.600 -0.093 0.000 0.985 844 E CA 1.422 57.774 56.400 -0.080 0.000 0.814 844 E CB -0.024 29.615 29.700 -0.100 0.000 0.752 844 E HN 0.383 nan 8.360 nan 0.000 0.466 845 M N -0.430 119.138 119.600 -0.053 0.000 2.288 845 M HA -0.068 4.418 4.480 0.011 0.000 0.266 845 M C 1.831 178.132 176.300 0.001 0.000 1.072 845 M CA 0.703 56.008 55.300 0.008 0.000 1.132 845 M CB 0.271 32.876 32.600 0.009 0.000 1.386 845 M HN -0.000 nan 8.290 nan 0.000 0.432 846 V N 0.102 120.003 119.914 -0.022 0.000 2.488 846 V HA -0.159 3.968 4.120 0.011 0.000 0.246 846 V C 1.972 178.089 176.094 0.039 0.000 1.046 846 V CA 1.545 63.854 62.300 0.014 0.000 1.053 846 V CB -0.588 31.267 31.823 0.055 0.000 0.679 846 V HN 0.443 nan 8.190 nan 0.000 0.458 847 E N 0.547 120.745 120.200 -0.004 0.000 2.152 847 E HA -0.102 4.254 4.350 0.011 0.000 0.192 847 E C 2.301 178.863 176.600 -0.064 0.000 0.983 847 E CA 1.089 57.490 56.400 0.001 0.000 0.818 847 E CB -0.217 29.474 29.700 -0.016 0.000 0.758 847 E HN 0.581 nan 8.360 nan 0.000 0.467 848 A N 0.848 123.542 122.820 -0.211 0.000 2.015 848 A HA -0.107 4.219 4.320 0.011 0.000 0.219 848 A C 1.990 179.299 177.584 -0.460 0.000 1.163 848 A CA 1.031 52.713 52.037 -0.591 0.000 0.646 848 A CB -0.292 18.333 19.000 -0.625 0.000 0.806 848 A HN 0.145 nan 8.150 nan 0.000 0.448 849 M N -1.373 118.199 119.600 -0.046 0.000 2.561 849 M HA 0.167 4.653 4.480 0.011 0.000 0.238 849 M C 1.280 177.686 176.300 0.175 0.000 1.131 849 M CA 0.798 56.168 55.300 0.116 0.000 1.046 849 M CB 0.331 33.023 32.600 0.153 0.000 1.532 849 M HN 0.618 nan 8.290 nan 0.000 0.497 850 G N 0.391 109.283 108.800 0.153 0.000 2.157 850 G HA2 -0.097 3.869 3.960 0.011 0.000 0.239 850 G HA3 -0.097 3.869 3.960 0.011 0.000 0.239 850 G C 0.468 175.510 174.900 0.236 0.000 0.982 850 G CA -0.122 45.149 45.100 0.285 0.000 0.650 850 G HN 0.923 nan 8.290 nan 0.000 0.527 851 G N -1.125 107.783 108.800 0.181 0.000 2.760 851 G HA2 0.075 4.041 3.960 0.011 0.000 0.246 851 G HA3 0.075 4.041 3.960 0.011 0.000 0.246 851 G C 0.682 175.606 174.900 0.040 0.000 1.359 851 G CA -0.078 45.090 45.100 0.114 0.000 0.861 851 G HN 1.037 nan 8.290 nan 0.000 0.541 852 I N 0.979 121.498 120.570 -0.084 0.000 2.145 852 I HA -0.042 4.134 4.170 0.011 0.000 0.244 852 I C 2.214 178.127 176.117 -0.341 0.000 1.075 852 I CA 2.524 63.625 61.300 -0.333 0.000 1.332 852 I CB -0.635 37.269 38.000 -0.159 0.000 1.033 852 I HN 0.873 nan 8.210 nan 0.000 0.410 853 S N 0.956 116.611 115.700 -0.075 0.000 2.461 853 S HA 0.616 5.092 4.470 0.011 0.000 0.322 853 S C -0.431 174.236 174.600 0.111 0.000 1.063 853 S CA -0.348 57.865 58.200 0.021 0.000 1.120 853 S CB 0.015 63.233 63.200 0.028 0.000 0.968 853 S HN 0.287 nan 8.310 nan 0.000 0.467 854 S N 3.272 119.092 115.700 0.199 0.000 2.535 854 S HA 0.364 4.841 4.470 0.011 0.000 0.272 854 S C 0.427 175.187 174.600 0.267 0.000 1.149 854 S CA -0.914 57.441 58.200 0.258 0.000 0.888 854 S CB 1.272 64.695 63.200 0.371 0.000 1.110 854 S HN 0.645 nan 8.310 nan 0.000 0.463 855 E N 0.603 120.910 120.200 0.178 0.000 2.233 855 E HA -0.326 4.030 4.350 0.011 0.000 0.210 855 E C 0.983 177.642 176.600 0.099 0.000 1.046 855 E CA 1.955 58.402 56.400 0.078 0.000 0.844 855 E CB -0.155 29.534 29.700 -0.019 0.000 0.741 855 E HN 0.705 nan 8.360 nan 0.000 0.465 856 H N -2.202 117.036 119.070 0.279 0.000 2.431 856 H HA -0.050 4.513 4.556 0.011 0.000 0.295 856 H C 2.060 177.570 175.328 0.304 0.000 1.038 856 H CA 1.416 57.631 56.048 0.279 0.000 1.360 856 H CB -0.147 29.792 29.762 0.296 0.000 1.433 856 H HN 0.382 nan 8.280 nan 0.000 0.536 857 H N -0.012 119.269 119.070 0.352 0.000 2.389 857 H HA -0.117 4.445 4.556 0.011 0.000 0.299 857 H C 2.443 177.965 175.328 0.324 0.000 1.081 857 H CA 1.569 57.807 56.048 0.316 0.000 1.345 857 H CB 0.028 29.943 29.762 0.254 0.000 1.393 857 H HN 0.293 nan 8.280 nan 0.000 0.520 858 H N -0.101 119.187 119.070 0.362 0.000 2.389 858 H HA -0.107 4.455 4.556 0.011 0.000 0.299 858 H C 1.939 177.335 175.328 0.113 0.000 1.081 858 H CA 1.588 57.782 56.048 0.243 0.000 1.345 858 H CB 0.233 30.107 29.762 0.186 0.000 1.393 858 H HN 0.446 nan 8.280 nan 0.000 0.520 859 E N 0.533 120.844 120.200 0.185 0.000 2.153 859 E HA -0.158 4.199 4.350 0.011 0.000 0.194 859 E C 2.074 178.680 176.600 0.010 0.000 0.988 859 E CA 0.968 57.420 56.400 0.087 0.000 0.811 859 E CB -0.707 29.054 29.700 0.103 0.000 0.746 859 E HN 0.487 nan 8.360 nan 0.000 0.466 860 F N 0.631 120.511 119.950 -0.117 0.000 2.234 860 F HA 0.094 4.627 4.527 0.010 0.000 0.296 860 F C 1.913 177.512 175.800 -0.336 0.000 1.089 860 F CA 1.203 59.081 58.000 -0.203 0.000 1.343 860 F CB -0.101 38.756 39.000 -0.238 0.000 1.040 860 F HN -0.101 nan 8.300 nan 0.000 0.498 861 R N 0.471 120.543 120.500 -0.714 0.000 2.090 861 R HA -0.091 4.255 4.340 0.011 0.000 0.228 861 R C 2.327 177.937 176.300 -1.150 0.000 1.110 861 R CA 1.272 56.725 56.100 -1.079 0.000 0.973 861 R CB -0.428 29.511 30.300 -0.603 0.000 0.869 861 R HN 0.278 nan 8.270 nan 0.000 0.440 862 K N 0.947 120.994 120.400 -0.589 0.000 2.063 862 K HA -0.243 4.083 4.320 0.011 0.000 0.208 862 K C 2.138 178.579 176.600 -0.266 0.000 1.048 862 K CA 1.585 57.703 56.287 -0.282 0.000 0.928 862 K CB 0.106 32.510 32.500 -0.160 0.000 0.713 862 K HN -0.036 nan 8.250 nan 0.000 0.442 863 Q N 0.002 119.617 119.800 -0.309 0.000 2.119 863 Q HA -0.097 4.249 4.340 0.011 0.000 0.201 863 Q C 2.008 177.847 176.000 -0.268 0.000 0.972 863 Q CA 1.586 57.261 55.803 -0.212 0.000 0.847 863 Q CB -0.111 28.536 28.738 -0.152 0.000 0.903 863 Q HN 0.382 nan 8.270 nan 0.000 0.433 864 C N -0.472 118.509 119.300 -0.531 0.000 2.429 864 C HA -0.128 4.338 4.460 0.011 0.000 0.277 864 C C 2.137 177.013 174.990 -0.191 0.000 1.262 864 C CA 0.542 59.281 59.018 -0.466 0.000 1.733 864 C CB -1.007 26.262 27.740 -0.784 0.000 2.010 864 C HN 0.555 nan 8.230 nan 0.000 0.483 865 Y N 0.734 120.976 120.300 -0.097 0.000 2.263 865 Y HA -0.088 4.469 4.550 0.011 0.000 0.292 865 Y C 2.896 178.858 175.900 0.102 0.000 1.130 865 Y CA 1.616 59.731 58.100 0.024 0.000 1.179 865 Y CB -1.514 36.937 38.460 -0.015 0.000 0.998 865 Y HN 0.435 nan 8.280 nan 0.000 0.532 866 T N -1.531 113.146 114.554 0.205 0.000 2.978 866 T HA 0.045 4.401 4.350 0.011 0.000 0.262 866 T C 2.119 176.987 174.700 0.281 0.000 1.063 866 T CA 0.908 63.148 62.100 0.232 0.000 1.140 866 T CB -0.363 68.606 68.868 0.168 0.000 0.886 866 T HN 0.220 nan 8.240 nan 0.000 0.470 867 A N 0.077 122.984 122.820 0.145 0.000 1.930 867 A HA 0.056 4.383 4.320 0.011 0.000 0.217 867 A C 2.156 179.878 177.584 0.229 0.000 1.175 867 A CA 1.396 53.496 52.037 0.105 0.000 0.627 867 A CB -1.138 17.873 19.000 0.018 0.000 0.815 867 A HN 0.640 nan 8.150 nan 0.000 0.443 868 Y N 0.405 120.761 120.300 0.093 0.000 2.263 868 Y HA -0.012 4.544 4.550 0.010 0.000 0.292 868 Y C 1.872 177.838 175.900 0.110 0.000 1.130 868 Y CA 1.097 59.259 58.100 0.103 0.000 1.179 868 Y CB -0.351 38.177 38.460 0.114 0.000 0.998 868 Y HN 0.207 nan 8.280 nan 0.000 0.532 869 L N -1.032 120.265 121.223 0.124 0.000 2.093 869 L HA -0.228 4.119 4.340 0.011 0.000 0.208 869 L C 2.475 179.297 176.870 -0.080 0.000 1.085 869 L CA 1.239 56.040 54.840 -0.065 0.000 0.755 869 L CB -0.631 41.413 42.059 -0.026 0.000 0.904 869 L HN 0.314 nan 8.230 nan 0.000 0.435 870 H N -0.408 118.668 119.070 0.009 0.000 2.428 870 H HA -0.048 4.515 4.556 0.011 0.000 0.296 870 H C 2.354 177.739 175.328 0.094 0.000 1.062 870 H CA 1.053 57.134 56.048 0.056 0.000 1.350 870 H CB 0.329 30.138 29.762 0.078 0.000 1.403 870 H HN 0.326 nan 8.280 nan 0.000 0.533 871 L N 0.188 121.518 121.223 0.178 0.000 2.109 871 L HA -0.112 4.235 4.340 0.011 0.000 0.207 871 L C 2.697 179.595 176.870 0.046 0.000 1.086 871 L CA 0.723 55.641 54.840 0.131 0.000 0.760 871 L CB -0.212 41.920 42.059 0.122 0.000 0.910 871 L HN 0.122 nan 8.230 nan 0.000 0.437 872 R N -0.198 120.255 120.500 -0.079 0.000 2.096 872 R HA -0.113 4.233 4.340 0.011 0.000 0.235 872 R C 2.389 178.592 176.300 -0.162 0.000 1.127 872 R CA 1.122 57.116 56.100 -0.178 0.000 0.968 872 R CB -0.068 30.031 30.300 -0.336 0.000 0.861 872 R HN 0.284 nan 8.270 nan 0.000 0.440 873 R N -0.783 119.618 120.500 -0.165 0.000 2.148 873 R HA -0.064 4.282 4.340 0.011 0.000 0.227 873 R C 0.791 176.909 176.300 -0.302 0.000 1.103 873 R CA 0.847 56.785 56.100 -0.270 0.000 0.983 873 R CB 0.006 30.117 30.300 -0.315 0.000 0.874 873 R HN 0.385 nan 8.270 nan 0.000 0.451 874 H N -0.740 118.292 119.070 -0.064 0.000 2.503 874 H HA 0.258 4.820 4.556 0.011 0.000 0.296 874 H C 1.118 176.428 175.328 -0.030 0.000 1.097 874 H CA 0.067 56.096 56.048 -0.032 0.000 1.055 874 H CB 0.772 30.533 29.762 -0.001 0.000 1.580 874 H HN 0.201 nan 8.280 nan 0.000 0.546 875 A N 0.888 123.713 122.820 0.007 0.000 1.972 875 A HA -0.194 4.133 4.320 0.011 0.000 0.219 875 A C 2.150 179.741 177.584 0.012 0.000 1.169 875 A CA 1.047 53.081 52.037 -0.004 0.000 0.635 875 A CB -0.059 18.915 19.000 -0.044 0.000 0.810 875 A HN 0.350 nan 8.150 nan 0.000 0.446 876 N N 0.308 119.013 118.700 0.009 0.000 2.149 876 N HA -0.143 4.604 4.740 0.011 0.000 0.188 876 N C 1.681 177.204 175.510 0.021 0.000 1.019 876 N CA 1.877 54.936 53.050 0.015 0.000 0.857 876 N CB -0.452 38.039 38.487 0.007 0.000 0.997 876 N HN 0.376 nan 8.380 nan 0.000 0.426 877 V N 0.618 120.559 119.914 0.046 0.000 2.488 877 V HA -0.047 4.079 4.120 0.011 0.000 0.246 877 V C 2.260 178.393 176.094 0.065 0.000 1.046 877 V CA 1.054 63.379 62.300 0.042 0.000 1.053 877 V CB -0.458 31.418 31.823 0.089 0.000 0.679 877 V HN 0.154 nan 8.190 nan 0.000 0.458 878 M N -0.478 119.172 119.600 0.083 0.000 2.200 878 M HA -0.012 4.474 4.480 0.011 0.000 0.265 878 M C 2.118 178.515 176.300 0.161 0.000 1.066 878 M CA 1.705 57.080 55.300 0.126 0.000 1.127 878 M CB -0.262 32.378 32.600 0.066 0.000 1.379 878 M HN 0.240 nan 8.290 nan 0.000 0.420 879 L N -0.277 120.991 121.223 0.075 0.000 2.131 879 L HA -0.156 4.191 4.340 0.011 0.000 0.206 879 L C 1.952 178.873 176.870 0.085 0.000 1.087 879 L CA 0.806 55.683 54.840 0.061 0.000 0.767 879 L CB -0.644 41.419 42.059 0.007 0.000 0.917 879 L HN 0.338 nan 8.230 nan 0.000 0.441 880 N N 0.084 118.809 118.700 0.041 0.000 2.216 880 N HA -0.089 4.658 4.740 0.011 0.000 0.183 880 N C 1.912 177.425 175.510 0.005 0.000 1.017 880 N CA 1.001 54.047 53.050 -0.006 0.000 0.861 880 N CB -0.062 38.386 38.487 -0.064 0.000 0.986 880 N HN 0.273 nan 8.380 nan 0.000 0.428 881 L N -0.968 120.278 121.223 0.040 0.000 2.109 881 L HA -0.017 4.329 4.340 0.011 0.000 0.207 881 L C 1.813 178.679 176.870 -0.006 0.000 1.086 881 L CA 0.673 55.521 54.840 0.014 0.000 0.760 881 L CB -0.301 41.786 42.059 0.047 0.000 0.910 881 L HN 0.040 nan 8.230 nan 0.000 0.437 882 F N -0.262 119.671 119.950 -0.027 0.000 2.234 882 F HA -0.189 4.345 4.527 0.011 0.000 0.299 882 F C 2.732 178.522 175.800 -0.017 0.000 1.087 882 F CA 1.259 59.243 58.000 -0.027 0.000 1.340 882 F CB -0.115 38.864 39.000 -0.035 0.000 1.031 882 F HN -0.052 nan 8.300 nan 0.000 0.500 883 S N -0.023 115.751 115.700 0.124 0.000 2.419 883 S HA -0.105 4.371 4.470 0.011 0.000 0.233 883 S C 1.937 176.563 174.600 0.044 0.000 1.016 883 S CA 0.833 59.068 58.200 0.059 0.000 0.974 883 S CB -0.285 62.926 63.200 0.018 0.000 0.786 883 S HN 0.277 nan 8.310 nan 0.000 0.492 884 L N 0.425 121.668 121.223 0.034 0.000 2.509 884 L HA 0.203 4.549 4.340 0.011 0.000 0.222 884 L C 0.976 177.889 176.870 0.071 0.000 1.123 884 L CA 0.385 55.279 54.840 0.090 0.000 0.856 884 L CB -0.043 42.045 42.059 0.048 0.000 0.985 884 L HN 0.289 nan 8.230 nan 0.000 0.456 885 M N -0.741 118.846 119.600 -0.022 0.000 2.723 885 M HA 0.096 4.582 4.480 0.011 0.000 0.270 885 M C 1.335 177.623 176.300 -0.020 0.000 1.282 885 M CA 0.245 55.497 55.300 -0.079 0.000 0.995 885 M CB 0.080 32.533 32.600 -0.246 0.000 1.430 885 M HN -0.031 nan 8.290 nan 0.000 0.477 886 V N 0.026 119.976 119.914 0.061 0.000 2.788 886 V HA -0.092 4.035 4.120 0.011 0.000 0.251 886 V C 0.681 176.817 176.094 0.070 0.000 1.068 886 V CA 1.308 63.651 62.300 0.072 0.000 1.090 886 V CB -0.164 31.710 31.823 0.086 0.000 0.710 886 V HN 0.376 nan 8.190 nan 0.000 0.467 887 D N 0.155 120.606 120.400 0.086 0.000 2.755 887 D HA 0.379 5.025 4.640 0.011 0.000 0.257 887 D C 1.357 177.662 176.300 0.009 0.000 1.291 887 D CA 0.522 54.556 54.000 0.056 0.000 0.836 887 D CB 0.961 41.809 40.800 0.080 0.000 1.059 887 D HN 0.355 nan 8.370 nan 0.000 0.486 888 A N 0.312 123.125 122.820 -0.013 0.000 2.132 888 A HA 0.039 4.365 4.320 0.011 0.000 0.213 888 A C 1.356 178.905 177.584 -0.058 0.000 1.154 888 A CA 0.998 53.004 52.037 -0.052 0.000 0.753 888 A CB -0.113 18.836 19.000 -0.086 0.000 0.826 888 A HN 0.221 nan 8.150 nan 0.000 0.469 889 T N -1.257 113.274 114.554 -0.038 0.000 4.056 889 T HA -0.145 4.211 4.350 0.011 0.000 0.356 889 T C -0.392 174.276 174.700 -0.053 0.000 0.757 889 T CA 0.587 62.664 62.100 -0.039 0.000 1.949 889 T CB -2.497 66.349 68.868 -0.036 0.000 1.834 889 T HN 0.634 nan 8.240 nan 0.000 0.846 890 V N 3.199 123.081 119.914 -0.053 0.000 2.378 890 V HA 0.372 4.498 4.120 0.011 0.000 0.288 890 V C -0.904 175.165 176.094 -0.041 0.000 1.016 890 V CA -1.513 60.754 62.300 -0.054 0.000 0.840 890 V CB 1.766 33.547 31.823 -0.070 0.000 0.994 890 V HN 0.227 nan 8.190 nan 0.000 0.431 891 P HA -0.178 nan 4.420 nan 0.000 0.214 891 P C 1.105 178.377 177.300 -0.046 0.000 1.169 891 P CA 1.409 64.479 63.100 -0.050 0.000 0.908 891 P CB 0.279 31.937 31.700 -0.071 0.000 0.791 892 D N -1.096 119.274 120.400 -0.050 0.000 2.221 892 D HA -0.108 4.539 4.640 0.011 0.000 0.204 892 D C 1.945 178.245 176.300 -0.000 0.000 0.982 892 D CA 0.943 54.922 54.000 -0.035 0.000 0.857 892 D CB -0.504 40.280 40.800 -0.027 0.000 0.934 892 D HN 0.244 nan 8.370 nan 0.000 0.475 893 I N 0.480 121.053 120.570 0.005 0.000 2.617 893 I HA -0.100 4.077 4.170 0.011 0.000 0.256 893 I C 1.997 178.122 176.117 0.014 0.000 1.167 893 I CA 0.387 61.702 61.300 0.025 0.000 1.469 893 I CB 0.098 38.107 38.000 0.014 0.000 1.098 893 I HN -0.112 nan 8.210 nan 0.000 0.436 894 A N -0.200 122.619 122.820 -0.000 0.000 2.251 894 A HA 0.109 4.435 4.320 0.011 0.000 0.209 894 A C 1.834 179.419 177.584 0.002 0.000 1.187 894 A CA 0.392 52.429 52.037 0.000 0.000 0.823 894 A CB -0.131 18.865 19.000 -0.008 0.000 0.846 894 A HN 0.255 nan 8.150 nan 0.000 0.486 895 L N -0.978 120.246 121.223 0.001 0.000 2.127 895 L HA 0.183 4.530 4.340 0.011 0.000 0.203 895 L C 0.625 177.500 176.870 0.009 0.000 1.080 895 L CA 1.274 56.116 54.840 0.003 0.000 0.768 895 L CB 0.201 42.260 42.059 -0.001 0.000 0.924 895 L HN 0.180 nan 8.230 nan 0.000 0.444 896 E N -1.465 118.743 120.200 0.013 0.000 2.460 896 E HA 0.224 4.580 4.350 0.011 0.000 0.249 896 E C -1.999 174.613 176.600 0.021 0.000 0.962 896 E CA -1.910 54.499 56.400 0.015 0.000 0.787 896 E CB 1.588 31.296 29.700 0.013 0.000 1.341 896 E HN -0.070 nan 8.360 nan 0.000 0.407 897 P HA -0.129 nan 4.420 nan 0.000 0.215 897 P C 0.650 177.969 177.300 0.032 0.000 1.157 897 P CA 1.079 64.197 63.100 0.031 0.000 0.874 897 P CB 0.482 32.200 31.700 0.031 0.000 0.790 898 D N -1.191 119.222 120.400 0.022 0.000 2.263 898 D HA -0.118 4.529 4.640 0.011 0.000 0.208 898 D C 1.693 177.999 176.300 0.009 0.000 0.971 898 D CA 1.055 55.063 54.000 0.014 0.000 0.867 898 D CB -0.245 40.559 40.800 0.007 0.000 0.929 898 D HN 0.234 nan 8.370 nan 0.000 0.492 899 K N -0.281 120.126 120.400 0.012 0.000 2.284 899 K HA 0.208 4.534 4.320 0.011 0.000 0.198 899 K C 2.028 178.632 176.600 0.006 0.000 1.048 899 K CA 0.475 56.764 56.287 0.004 0.000 0.987 899 K CB 0.235 32.737 32.500 0.004 0.000 0.800 899 K HN -0.025 nan 8.250 nan 0.000 0.486 900 A N 1.236 124.076 122.820 0.033 0.000 1.915 900 A HA -0.203 4.123 4.320 0.011 0.000 0.220 900 A C 2.256 179.863 177.584 0.038 0.000 1.198 900 A CA 2.004 54.081 52.037 0.065 0.000 0.647 900 A CB -0.844 18.236 19.000 0.134 0.000 0.825 900 A HN 0.085 nan 8.150 nan 0.000 0.456 901 V N -0.485 119.454 119.914 0.043 0.000 2.591 901 V HA -0.170 3.956 4.120 0.011 0.000 0.249 901 V C 2.361 178.399 176.094 -0.093 0.000 1.053 901 V CA 1.955 64.253 62.300 -0.004 0.000 1.068 901 V CB -0.621 31.225 31.823 0.038 0.000 0.689 901 V HN 0.498 nan 8.190 nan 0.000 0.462 902 K N 0.239 120.598 120.400 -0.069 0.000 2.147 902 K HA -0.177 4.149 4.320 0.011 0.000 0.205 902 K C 2.252 178.792 176.600 -0.100 0.000 1.049 902 K CA 1.347 57.582 56.287 -0.086 0.000 0.936 902 K CB -0.078 32.385 32.500 -0.061 0.000 0.722 902 K HN 0.406 nan 8.250 nan 0.000 0.446 903 K N 0.090 120.429 120.400 -0.102 0.000 2.076 903 K HA -0.048 4.279 4.320 0.011 0.000 0.204 903 K C 1.934 178.426 176.600 -0.180 0.000 1.051 903 K CA 0.746 56.967 56.287 -0.110 0.000 0.949 903 K CB 0.181 32.633 32.500 -0.081 0.000 0.726 903 K HN -0.080 nan 8.250 nan 0.000 0.443 904 V N 1.372 121.124 119.914 -0.270 0.000 2.427 904 V HA -0.208 3.919 4.120 0.011 0.000 0.248 904 V C 2.149 178.089 176.094 -0.256 0.000 1.051 904 V CA 1.711 63.781 62.300 -0.383 0.000 1.048 904 V CB -0.336 31.068 31.823 -0.700 0.000 0.666 904 V HN 0.365 nan 8.190 nan 0.000 0.456 905 E N -0.024 120.058 120.200 -0.197 0.000 2.158 905 E HA -0.213 4.143 4.350 0.011 0.000 0.191 905 E C 2.277 178.821 176.600 -0.093 0.000 0.982 905 E CA 0.858 57.176 56.400 -0.137 0.000 0.823 905 E CB 0.042 29.659 29.700 -0.139 0.000 0.766 905 E HN 0.684 nan 8.360 nan 0.000 0.468 906 E N 0.196 120.341 120.200 -0.092 0.000 2.106 906 E HA -0.169 4.187 4.350 0.011 0.000 0.192 906 E C 1.600 178.192 176.600 -0.013 0.000 0.984 906 E CA 0.844 57.214 56.400 -0.049 0.000 0.806 906 E CB 0.133 29.806 29.700 -0.045 0.000 0.750 906 E HN 0.206 nan 8.360 nan 0.000 0.458 907 N N 0.372 119.032 118.700 -0.067 0.000 2.409 907 N HA -0.080 4.667 4.740 0.011 0.000 0.179 907 N C 1.760 177.360 175.510 0.150 0.000 1.032 907 N CA 0.468 53.478 53.050 -0.068 0.000 0.898 907 N CB -0.027 38.179 38.487 -0.468 0.000 0.971 907 N HN 0.216 nan 8.380 nan 0.000 0.441 908 L N 0.187 121.446 121.223 0.061 0.000 2.313 908 L HA -0.037 4.309 4.340 0.011 0.000 0.214 908 L C 0.299 177.209 176.870 0.065 0.000 1.119 908 L CA 0.359 55.245 54.840 0.077 0.000 0.809 908 L CB -0.015 42.028 42.059 -0.027 0.000 0.933 908 L HN 0.055 nan 8.230 nan 0.000 0.449 909 Q N -0.747 119.094 119.800 0.067 0.000 2.478 909 Q HA -0.225 4.121 4.340 0.011 0.000 0.286 909 Q C 0.830 176.820 176.000 -0.017 0.000 1.299 909 Q CA 0.449 56.264 55.803 0.020 0.000 0.826 909 Q CB -1.785 26.996 28.738 0.071 0.000 1.199 909 Q HN 0.437 nan 8.270 nan 0.000 0.451 910 L N -2.403 118.820 121.223 -0.000 0.000 2.191 910 L HA -0.094 4.253 4.340 0.011 0.000 0.212 910 L C 2.159 179.059 176.870 0.050 0.000 1.103 910 L CA 1.262 56.106 54.840 0.007 0.000 0.769 910 L CB -0.398 41.701 42.059 0.068 0.000 0.908 910 L HN 0.548 nan 8.230 nan 0.000 0.438 911 G N 0.648 109.491 108.800 0.071 0.000 2.446 911 G HA2 -0.128 3.838 3.960 0.011 0.000 0.217 911 G HA3 -0.128 3.838 3.960 0.011 0.000 0.217 911 G C 0.944 175.871 174.900 0.046 0.000 1.168 911 G CA 0.138 45.282 45.100 0.073 0.000 0.771 911 G HN 0.131 nan 8.290 nan 0.000 0.551 912 L N 1.089 122.320 121.223 0.014 0.000 2.483 912 L HA 0.210 4.556 4.340 0.011 0.000 0.275 912 L C 1.231 178.110 176.870 0.014 0.000 1.220 912 L CA -0.278 54.566 54.840 0.007 0.000 0.833 912 L CB 0.332 42.386 42.059 -0.008 0.000 1.102 912 L HN 0.152 nan 8.230 nan 0.000 0.490 913 T N -1.041 113.525 114.554 0.019 0.000 2.898 913 T HA 0.015 4.372 4.350 0.011 0.000 0.301 913 T C 0.921 175.619 174.700 -0.003 0.000 1.049 913 T CA -0.467 61.645 62.100 0.019 0.000 1.095 913 T CB 0.787 69.666 68.868 0.017 0.000 0.976 913 T HN 0.617 nan 8.240 nan 0.000 0.539 914 D N 2.335 122.725 120.400 -0.017 0.000 2.157 914 D HA -0.125 4.521 4.640 0.011 0.000 0.191 914 D C 1.932 178.220 176.300 -0.020 0.000 1.004 914 D CA 1.851 55.830 54.000 -0.035 0.000 0.854 914 D CB -0.096 40.681 40.800 -0.040 0.000 0.936 914 D HN 0.749 nan 8.370 nan 0.000 0.446 915 E N 0.388 120.579 120.200 -0.016 0.000 2.106 915 E HA -0.106 4.250 4.350 0.011 0.000 0.192 915 E C 1.986 178.576 176.600 -0.016 0.000 0.984 915 E CA 0.793 57.179 56.400 -0.023 0.000 0.806 915 E CB -0.131 29.559 29.700 -0.016 0.000 0.750 915 E HN 0.402 nan 8.360 nan 0.000 0.458 916 E N -0.139 120.063 120.200 0.003 0.000 2.152 916 E HA -0.069 4.287 4.350 0.011 0.000 0.192 916 E C 1.894 178.532 176.600 0.063 0.000 0.983 916 E CA 0.788 57.202 56.400 0.023 0.000 0.818 916 E CB -0.023 29.689 29.700 0.019 0.000 0.758 916 E HN 0.273 nan 8.360 nan 0.000 0.467 917 A N 0.422 123.284 122.820 0.071 0.000 1.930 917 A HA -0.070 4.257 4.320 0.011 0.000 0.215 917 A C 2.352 180.099 177.584 0.272 0.000 1.176 917 A CA 0.633 52.777 52.037 0.178 0.000 0.632 917 A CB -0.261 18.773 19.000 0.056 0.000 0.819 917 A HN 0.104 nan 8.150 nan 0.000 0.445 918 V N 0.116 120.090 119.914 0.100 0.000 2.427 918 V HA -0.292 3.835 4.120 0.011 0.000 0.248 918 V C 2.581 178.591 176.094 -0.140 0.000 1.051 918 V CA 2.174 64.444 62.300 -0.049 0.000 1.048 918 V CB -0.846 30.831 31.823 -0.242 0.000 0.666 918 V HN 0.634 nan 8.190 nan 0.000 0.456 919 Q N -0.753 119.010 119.800 -0.062 0.000 2.124 919 Q HA -0.253 4.093 4.340 0.011 0.000 0.202 919 Q C 2.211 178.221 176.000 0.017 0.000 0.977 919 Q CA 1.964 57.738 55.803 -0.048 0.000 0.850 919 Q CB -0.272 28.462 28.738 -0.006 0.000 0.901 919 Q HN 0.818 nan 8.270 nan 0.000 0.429 920 H N 0.374 119.443 119.070 -0.002 0.000 2.357 920 H HA -0.101 4.461 4.556 0.010 0.000 0.301 920 H C 1.769 177.067 175.328 -0.051 0.000 1.082 920 H CA 1.231 57.286 56.048 0.011 0.000 1.342 920 H CB -0.071 29.739 29.762 0.080 0.000 1.389 920 H HN 0.145 nan 8.280 nan 0.000 0.511 921 L N 0.623 121.744 121.223 -0.171 0.000 2.056 921 L HA -0.108 4.238 4.340 0.011 0.000 0.207 921 L C 2.632 179.379 176.870 -0.205 0.000 1.078 921 L CA 1.951 56.566 54.840 -0.376 0.000 0.749 921 L CB -0.825 41.061 42.059 -0.289 0.000 0.901 921 L HN 0.491 nan 8.230 nan 0.000 0.433 922 Q N -1.428 118.348 119.800 -0.039 0.000 2.124 922 Q HA -0.239 4.107 4.340 0.011 0.000 0.202 922 Q C 2.313 178.294 176.000 -0.031 0.000 0.977 922 Q CA 1.998 57.832 55.803 0.051 0.000 0.850 922 Q CB -0.185 28.544 28.738 -0.015 0.000 0.901 922 Q HN 0.563 nan 8.270 nan 0.000 0.429 923 S N -0.022 115.625 115.700 -0.089 0.000 2.368 923 S HA -0.118 4.359 4.470 0.011 0.000 0.225 923 S C 1.956 176.492 174.600 -0.106 0.000 1.030 923 S CA 1.119 59.276 58.200 -0.072 0.000 0.999 923 S CB -0.253 62.908 63.200 -0.064 0.000 0.844 923 S HN 0.493 nan 8.310 nan 0.000 0.459 924 L N 0.598 121.684 121.223 -0.228 0.000 2.109 924 L HA 0.041 4.388 4.340 0.011 0.000 0.207 924 L C 2.549 179.332 176.870 -0.144 0.000 1.086 924 L CA 0.819 55.518 54.840 -0.235 0.000 0.760 924 L CB -0.450 41.342 42.059 -0.446 0.000 0.910 924 L HN 0.325 nan 8.230 nan 0.000 0.437 925 L N -0.259 120.885 121.223 -0.132 0.000 2.093 925 L HA -0.229 4.117 4.340 0.011 0.000 0.208 925 L C 1.974 178.861 176.870 0.029 0.000 1.085 925 L CA 1.321 56.133 54.840 -0.047 0.000 0.755 925 L CB -0.332 41.703 42.059 -0.039 0.000 0.904 925 L HN 0.280 nan 8.230 nan 0.000 0.435 926 D N -0.887 119.532 120.400 0.031 0.000 2.149 926 D HA -0.142 4.505 4.640 0.011 0.000 0.201 926 D C 2.180 178.510 176.300 0.050 0.000 0.972 926 D CA 1.256 55.295 54.000 0.065 0.000 0.835 926 D CB 0.003 40.841 40.800 0.064 0.000 0.966 926 D HN 0.179 nan 8.370 nan 0.000 0.476 927 V N -0.757 119.172 119.914 0.024 0.000 2.427 927 V HA -0.165 3.962 4.120 0.011 0.000 0.248 927 V C 2.189 178.302 176.094 0.031 0.000 1.051 927 V CA 1.468 63.785 62.300 0.027 0.000 1.048 927 V CB -0.792 31.040 31.823 0.015 0.000 0.666 927 V HN 0.035 nan 8.190 nan 0.000 0.456 928 S N 0.456 116.172 115.700 0.027 0.000 2.371 928 S HA 0.099 4.576 4.470 0.011 0.000 0.224 928 S C 1.911 176.540 174.600 0.049 0.000 1.029 928 S CA 1.568 59.788 58.200 0.033 0.000 0.978 928 S CB -0.314 62.903 63.200 0.027 0.000 0.833 928 S HN 0.550 nan 8.310 nan 0.000 0.466 929 I N 1.880 122.492 120.570 0.071 0.000 2.439 929 I HA -0.131 4.045 4.170 0.011 0.000 0.251 929 I C 2.306 178.463 176.117 0.066 0.000 1.139 929 I CA 1.224 62.578 61.300 0.091 0.000 1.438 929 I CB -0.963 37.132 38.000 0.158 0.000 1.085 929 I HN 0.364 nan 8.210 nan 0.000 0.427 930 T N 0.266 114.854 114.554 0.056 0.000 2.904 930 T HA -0.003 4.353 4.350 0.011 0.000 0.267 930 T C 1.989 176.706 174.700 0.028 0.000 1.059 930 T CA 1.036 63.160 62.100 0.040 0.000 1.137 930 T CB -0.234 68.659 68.868 0.042 0.000 0.879 930 T HN 0.401 nan 8.240 nan 0.000 0.467 931 A N 0.681 123.518 122.820 0.029 0.000 2.021 931 A HA 0.269 4.595 4.320 0.011 0.000 0.216 931 A C 2.430 180.024 177.584 0.017 0.000 1.163 931 A CA 0.383 52.433 52.037 0.022 0.000 0.676 931 A CB -0.612 18.402 19.000 0.023 0.000 0.818 931 A HN 0.345 nan 8.150 nan 0.000 0.453 932 V N 0.225 120.152 119.914 0.022 0.000 2.788 932 V HA 0.012 4.138 4.120 0.011 0.000 0.251 932 V C 0.566 176.667 176.094 0.013 0.000 1.068 932 V CA 0.866 63.176 62.300 0.017 0.000 1.090 932 V CB -0.324 31.513 31.823 0.023 0.000 0.710 932 V HN 0.443 nan 8.190 nan 0.000 0.467 933 M N 0.433 120.043 119.600 0.017 0.000 2.180 933 M HA 0.338 4.825 4.480 0.011 0.000 0.350 933 M C -1.890 174.412 176.300 0.002 0.000 1.125 933 M CA -2.590 52.717 55.300 0.011 0.000 1.031 933 M CB 0.725 33.335 32.600 0.018 0.000 1.623 933 M HN -0.077 nan 8.290 nan 0.000 0.451 934 P HA 0.068 nan 4.420 nan 0.000 0.227 934 P C 1.071 178.364 177.300 -0.011 0.000 1.161 934 P CA 0.829 63.924 63.100 -0.008 0.000 0.788 934 P CB 0.188 31.882 31.700 -0.009 0.000 0.822 935 A N -0.275 122.539 122.820 -0.010 0.000 1.968 935 A HA -0.069 4.257 4.320 0.011 0.000 0.217 935 A C 2.117 179.679 177.584 -0.037 0.000 1.169 935 A CA 1.100 53.127 52.037 -0.017 0.000 0.638 935 A CB -1.464 17.530 19.000 -0.010 0.000 0.812 935 A HN 0.115 nan 8.150 nan 0.000 0.446 936 L N -0.666 120.539 121.223 -0.030 0.000 2.131 936 L HA -0.083 4.263 4.340 0.011 0.000 0.206 936 L C 2.379 179.214 176.870 -0.059 0.000 1.087 936 L CA 0.670 55.485 54.840 -0.043 0.000 0.767 936 L CB -0.442 41.611 42.059 -0.009 0.000 0.917 936 L HN 0.218 nan 8.230 nan 0.000 0.441 937 V N -0.621 119.274 119.914 -0.031 0.000 2.515 937 V HA -0.188 3.938 4.120 0.011 0.000 0.250 937 V C 2.511 178.594 176.094 -0.019 0.000 1.058 937 V CA 1.360 63.648 62.300 -0.020 0.000 1.064 937 V CB -0.392 31.427 31.823 -0.008 0.000 0.675 937 V HN 0.375 nan 8.190 nan 0.000 0.461 938 E N -0.075 120.111 120.200 -0.023 0.000 2.106 938 E HA -0.218 4.138 4.350 0.011 0.000 0.192 938 E C 2.241 178.799 176.600 -0.071 0.000 0.984 938 E CA 1.150 57.560 56.400 0.017 0.000 0.806 938 E CB -0.091 29.616 29.700 0.012 0.000 0.750 938 E HN 0.659 nan 8.360 nan 0.000 0.458 939 Q N -0.066 119.608 119.800 -0.209 0.000 2.119 939 Q HA -0.061 4.285 4.340 0.011 0.000 0.201 939 Q C 2.278 177.775 176.000 -0.839 0.000 0.972 939 Q CA 0.751 56.248 55.803 -0.511 0.000 0.847 939 Q CB 0.093 28.549 28.738 -0.470 0.000 0.903 939 Q HN 0.277 nan 8.270 nan 0.000 0.433 940 I N 0.013 120.318 120.570 -0.441 0.000 2.353 940 I HA -0.270 3.906 4.170 0.011 0.000 0.248 940 I C 2.506 178.580 176.117 -0.072 0.000 1.119 940 I CA 1.144 62.297 61.300 -0.246 0.000 1.417 940 I CB -0.736 37.239 38.000 -0.041 0.000 1.078 940 I HN 0.432 nan 8.210 nan 0.000 0.421 941 H N 2.026 121.031 119.070 -0.109 0.000 2.387 941 H HA -0.133 4.430 4.556 0.011 0.000 0.299 941 H C 2.211 177.542 175.328 0.005 0.000 1.090 941 H CA 1.328 57.361 56.048 -0.026 0.000 1.332 941 H CB 0.156 29.902 29.762 -0.027 0.000 1.386 941 H HN 0.232 nan 8.280 nan 0.000 0.516 942 R N -0.249 120.066 120.500 -0.307 0.000 2.090 942 R HA -0.065 4.281 4.340 0.011 0.000 0.228 942 R C 2.492 178.830 176.300 0.064 0.000 1.110 942 R CA 1.001 56.950 56.100 -0.251 0.000 0.973 942 R CB -0.311 29.892 30.300 -0.160 0.000 0.869 942 R HN 0.398 nan 8.270 nan 0.000 0.440 943 F N 0.277 120.228 119.950 0.002 0.000 2.186 943 F HA -0.141 4.392 4.527 0.011 0.000 0.299 943 F C 2.420 178.318 175.800 0.164 0.000 1.090 943 F CA 0.628 58.669 58.000 0.069 0.000 1.307 943 F CB -0.193 38.846 39.000 0.065 0.000 1.019 943 F HN 0.029 nan 8.300 nan 0.000 0.489 944 T N -0.798 113.941 114.554 0.309 0.000 2.833 944 T HA -0.273 4.083 4.350 0.011 0.000 0.269 944 T C 1.673 176.515 174.700 0.238 0.000 1.054 944 T CA 1.275 63.534 62.100 0.265 0.000 1.135 944 T CB -0.315 68.664 68.868 0.185 0.000 0.869 944 T HN 0.151 nan 8.240 nan 0.000 0.466 945 Q N -0.497 119.386 119.800 0.138 0.000 2.230 945 Q HA -0.004 4.342 4.340 0.011 0.000 0.202 945 Q C 1.748 177.806 176.000 0.098 0.000 0.963 945 Q CA 0.865 56.704 55.803 0.059 0.000 0.866 945 Q CB -0.316 28.369 28.738 -0.089 0.000 0.931 945 Q HN 0.666 nan 8.270 nan 0.000 0.452 946 Y N -1.022 119.291 120.300 0.022 0.000 2.049 946 Y HA -0.275 4.281 4.550 0.011 0.000 0.277 946 Y C 1.273 177.063 175.900 -0.184 0.000 1.143 946 Y CA 2.170 60.204 58.100 -0.111 0.000 1.115 946 Y CB -0.511 37.839 38.460 -0.183 0.000 0.975 946 Y HN 0.209 nan 8.280 nan 0.000 0.487 947 W N 0.780 122.164 121.300 0.139 0.000 2.468 947 W HA -0.093 4.573 4.660 0.011 0.000 0.262 947 W C 1.391 177.898 176.519 -0.020 0.000 1.241 947 W CA 1.318 58.685 57.345 0.036 0.000 1.232 947 W CB -0.129 29.392 29.460 0.102 0.000 1.124 947 W HN -0.023 nan 8.180 nan 0.000 0.597 948 R N 0.000 120.598 120.500 0.164 0.000 2.786 948 R HA 0.000 4.346 4.340 0.011 0.000 0.208 948 R CA 0.000 56.158 56.100 0.096 0.000 0.921 948 R CB 0.000 30.306 30.300 0.010 0.000 0.687 948 R HN 0.000 nan 8.270 nan 0.000 0.535