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 1v0e_1_A DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.659 174.600 0.098 0.000 1.055 245 S CA 0.000 58.243 58.200 0.072 0.000 1.107 245 S CB 0.000 63.243 63.200 0.072 0.000 0.593 246 A N 1.054 123.959 122.820 0.142 0.000 2.440 246 A HA 0.556 4.876 4.320 0.000 0.000 0.251 246 A C 0.999 178.709 177.584 0.211 0.000 1.089 246 A CA -0.380 51.785 52.037 0.214 0.000 0.779 246 A CB 0.114 19.300 19.000 0.309 0.000 1.022 246 A HN 0.688 nan 8.150 nan 0.000 0.492 247 K N 2.048 122.535 120.400 0.145 0.000 2.186 247 K HA 0.055 4.375 4.320 0.000 0.000 0.202 247 K C 1.316 177.878 176.600 -0.063 0.000 1.052 247 K CA 0.906 57.222 56.287 0.049 0.000 0.965 247 K CB -0.577 31.938 32.500 0.024 0.000 0.746 247 K HN 1.596 nan 8.250 nan 0.000 0.457 248 G N 3.873 112.544 108.800 -0.213 0.000 2.356 248 G HA2 -0.255 3.705 3.960 0.000 0.000 0.296 248 G HA3 -0.255 3.705 3.960 0.000 0.000 0.296 248 G C 0.010 174.659 174.900 -0.419 0.000 1.022 248 G CA 0.927 45.539 45.100 -0.813 0.000 0.961 248 G HN 0.484 nan 8.290 nan 0.000 0.510 249 D N -1.773 118.498 120.400 -0.215 0.000 2.398 249 D HA 0.368 5.008 4.640 0.000 0.000 0.210 249 D C 1.802 178.053 176.300 -0.081 0.000 1.094 249 D CA 0.404 54.332 54.000 -0.120 0.000 0.839 249 D CB -0.361 40.401 40.800 -0.062 0.000 0.963 249 D HN 1.376 nan 8.370 nan 0.000 0.506 250 G N 0.046 108.793 108.800 -0.090 0.000 2.184 250 G HA2 -0.346 3.614 3.960 0.000 0.000 0.264 250 G HA3 -0.346 3.614 3.960 0.000 0.000 0.264 250 G C 0.975 175.882 174.900 0.012 0.000 0.975 250 G CA 1.054 46.145 45.100 -0.015 0.000 0.642 250 G HN 0.720 nan 8.290 nan 0.000 0.536 251 V N -3.424 116.491 119.914 0.002 0.000 3.159 251 V HA 0.355 4.475 4.120 0.000 0.000 0.234 251 V C 1.350 177.454 176.094 0.016 0.000 1.313 251 V CA 1.077 63.383 62.300 0.011 0.000 1.271 251 V CB -0.351 31.476 31.823 0.007 0.000 1.053 251 V HN 0.235 nan 8.190 nan 0.000 0.476 252 T N 2.983 117.546 114.554 0.015 0.000 2.888 252 T HA 0.181 4.531 4.350 0.000 0.000 0.301 252 T C -0.242 174.484 174.700 0.044 0.000 1.001 252 T CA 0.525 62.640 62.100 0.025 0.000 1.147 252 T CB 0.615 69.497 68.868 0.024 0.000 0.931 252 T HN 0.539 nan 8.240 nan 0.000 0.541 253 D N 2.068 122.494 120.400 0.043 0.000 2.363 253 D HA 0.037 4.677 4.640 0.000 0.000 0.263 253 D C 0.261 176.602 176.300 0.069 0.000 1.258 253 D CA -0.168 53.864 54.000 0.053 0.000 0.907 253 D CB 0.489 41.312 40.800 0.039 0.000 1.107 253 D HN 0.313 nan 8.370 nan 0.000 0.495 254 D N 2.543 123.003 120.400 0.100 0.000 2.363 254 D HA 0.016 4.656 4.640 0.000 0.000 0.214 254 D C 1.355 177.710 176.300 0.091 0.000 1.093 254 D CA 0.160 54.239 54.000 0.131 0.000 0.837 254 D CB 0.519 41.471 40.800 0.253 0.000 0.948 254 D HN 0.415 nan 8.370 nan 0.000 0.507 255 T N 0.610 115.193 114.554 0.050 0.000 2.607 255 T HA -0.222 4.128 4.350 0.000 0.000 0.267 255 T C 2.078 176.784 174.700 0.009 0.000 1.049 255 T CA 1.843 63.946 62.100 0.005 0.000 1.162 255 T CB -0.177 68.681 68.868 -0.016 0.000 0.863 255 T HN 0.230 nan 8.240 nan 0.000 0.424 256 A N 1.521 124.351 122.820 0.017 0.000 1.883 256 A HA 0.082 4.402 4.320 0.000 0.000 0.217 256 A C 2.673 180.274 177.584 0.028 0.000 1.186 256 A CA 2.112 54.158 52.037 0.016 0.000 0.624 256 A CB -1.226 17.784 19.000 0.016 0.000 0.822 256 A HN 0.551 nan 8.150 nan 0.000 0.444 257 A N -0.974 121.873 122.820 0.046 0.000 1.933 257 A HA 0.011 4.331 4.320 0.000 0.000 0.218 257 A C 2.006 179.629 177.584 0.065 0.000 1.175 257 A CA 1.658 53.730 52.037 0.058 0.000 0.628 257 A CB -0.444 18.603 19.000 0.079 0.000 0.814 257 A HN 0.390 nan 8.150 nan 0.000 0.444 258 L N -0.285 120.982 121.223 0.073 0.000 2.056 258 L HA -0.086 4.254 4.340 0.000 0.000 0.207 258 L C 2.677 179.600 176.870 0.089 0.000 1.078 258 L CA 2.332 57.235 54.840 0.105 0.000 0.749 258 L CB -1.617 40.499 42.059 0.094 0.000 0.901 258 L HN 0.368 nan 8.230 nan 0.000 0.433 259 T N -0.704 113.873 114.554 0.039 0.000 2.708 259 T HA -0.182 4.168 4.350 0.000 0.000 0.266 259 T C 2.102 176.809 174.700 0.011 0.000 1.037 259 T CA 1.739 63.848 62.100 0.015 0.000 1.146 259 T CB -0.296 68.567 68.868 -0.008 0.000 0.865 259 T HN 0.564 nan 8.240 nan 0.000 0.435 260 S N 2.155 117.864 115.700 0.015 0.000 2.370 260 S HA -0.108 4.362 4.470 0.000 0.000 0.226 260 S C 2.413 177.017 174.600 0.006 0.000 1.033 260 S CA 1.260 59.465 58.200 0.009 0.000 1.011 260 S CB -0.733 62.475 63.200 0.014 0.000 0.852 260 S HN 0.507 nan 8.310 nan 0.000 0.457 261 A N 1.965 124.795 122.820 0.017 0.000 1.877 261 A HA 0.110 4.430 4.320 0.000 0.000 0.216 261 A C 2.393 179.957 177.584 -0.033 0.000 1.186 261 A CA 1.579 53.616 52.037 0.001 0.000 0.620 261 A CB -0.940 18.075 19.000 0.024 0.000 0.822 261 A HN 0.560 nan 8.150 nan 0.000 0.443 262 L N -0.495 120.712 121.223 -0.027 0.000 2.083 262 L HA -0.210 4.130 4.340 0.000 0.000 0.209 262 L C 2.296 179.135 176.870 -0.051 0.000 1.083 262 L CA 1.667 56.470 54.840 -0.063 0.000 0.752 262 L CB -0.602 41.439 42.059 -0.031 0.000 0.899 262 L HN 0.491 nan 8.230 nan 0.000 0.433 263 N N -0.469 118.213 118.700 -0.031 0.000 2.244 263 N HA -0.166 4.574 4.740 0.000 0.000 0.183 263 N C 0.836 176.328 175.510 -0.029 0.000 1.016 263 N CA 1.014 54.047 53.050 -0.028 0.000 0.866 263 N CB 0.067 38.542 38.487 -0.019 0.000 0.980 263 N HN 0.303 nan 8.380 nan 0.000 0.430 264 D N -0.385 119.998 120.400 -0.028 0.000 2.350 264 D HA -0.009 4.631 4.640 0.000 0.000 0.213 264 D C 0.660 176.940 176.300 -0.034 0.000 1.031 264 D CA 0.580 54.565 54.000 -0.025 0.000 0.861 264 D CB 0.192 40.982 40.800 -0.017 0.000 0.926 264 D HN 0.269 nan 8.370 nan 0.000 0.520 265 T N -1.515 113.009 114.554 -0.049 0.000 2.912 265 T HA 0.599 4.949 4.350 0.000 0.000 0.288 265 T C -2.843 171.820 174.700 -0.061 0.000 1.030 265 T CA -2.112 59.953 62.100 -0.058 0.000 1.020 265 T CB 2.314 71.135 68.868 -0.078 0.000 1.056 265 T HN -0.351 nan 8.240 nan 0.000 0.480 266 P HA 0.113 nan 4.420 nan 0.000 0.266 266 P C 1.516 178.777 177.300 -0.065 0.000 1.195 266 P CA -0.536 62.534 63.100 -0.051 0.000 0.768 266 P CB 0.492 32.167 31.700 -0.041 0.000 0.838 267 V N 0.962 120.841 119.914 -0.059 0.000 2.568 267 V HA -0.127 3.993 4.120 0.000 0.000 0.253 267 V C 1.860 177.915 176.094 -0.066 0.000 1.072 267 V CA 2.149 64.409 62.300 -0.066 0.000 1.084 267 V CB -1.808 29.984 31.823 -0.051 0.000 0.676 267 V HN 0.651 nan 8.190 nan 0.000 0.469 268 G N -0.486 108.283 108.800 -0.053 0.000 2.712 268 G HA2 -0.040 3.920 3.960 0.000 0.000 0.212 268 G HA3 -0.040 3.920 3.960 0.000 0.000 0.212 268 G C 0.796 175.665 174.900 -0.051 0.000 1.142 268 G CA 0.278 45.351 45.100 -0.045 0.000 0.789 268 G HN 0.595 nan 8.290 nan 0.000 0.535 269 Q N 1.613 121.374 119.800 -0.066 0.000 2.289 269 Q HA 0.146 4.486 4.340 0.000 0.000 0.273 269 Q C -0.052 175.889 176.000 -0.098 0.000 1.029 269 Q CA 0.152 55.911 55.803 -0.072 0.000 0.896 269 Q CB 0.449 29.139 28.738 -0.080 0.000 1.182 269 Q HN 0.082 nan 8.270 nan 0.000 0.385 270 K N 5.751 126.108 120.400 -0.071 0.000 2.273 270 K HA 0.205 4.525 4.320 0.000 0.000 0.287 270 K C -0.349 176.196 176.600 -0.090 0.000 1.089 270 K CA -0.222 56.022 56.287 -0.071 0.000 0.909 270 K CB 0.156 32.645 32.500 -0.019 0.000 1.123 270 K HN 0.659 nan 8.250 nan 0.000 0.473 271 I N 2.952 123.405 120.570 -0.195 0.000 2.421 271 I HA -0.062 4.108 4.170 0.000 0.000 0.291 271 I C 0.747 176.860 176.117 -0.007 0.000 1.089 271 I CA -0.229 60.961 61.300 -0.184 0.000 1.354 271 I CB -0.065 37.654 38.000 -0.468 0.000 1.413 271 I HN 0.389 nan 8.210 nan 0.000 0.513 272 N N 5.574 124.299 118.700 0.041 0.000 2.406 272 N HA 0.142 4.882 4.740 0.000 0.000 0.251 272 N C 0.878 176.475 175.510 0.144 0.000 1.069 272 N CA -0.087 53.023 53.050 0.099 0.000 0.947 272 N CB 1.656 40.186 38.487 0.071 0.000 1.111 272 N HN 0.723 nan 8.380 nan 0.000 0.497 273 G N 2.359 111.276 108.800 0.195 0.000 2.920 273 G HA2 -0.112 3.848 3.960 0.000 0.000 0.208 273 G HA3 -0.112 3.848 3.960 0.000 0.000 0.208 273 G C 0.377 175.457 174.900 0.299 0.000 1.159 273 G CA -0.299 44.950 45.100 0.247 0.000 0.784 273 G HN 0.797 nan 8.290 nan 0.000 0.535 274 N N -0.533 118.287 118.700 0.199 0.000 2.725 274 N HA -0.207 4.533 4.740 0.000 0.000 0.249 274 N C 1.502 177.099 175.510 0.146 0.000 1.103 274 N CA 1.537 54.675 53.050 0.146 0.000 0.707 274 N CB -1.430 37.132 38.487 0.125 0.000 1.043 274 N HN 0.997 nan 8.380 nan 0.000 0.553 275 G N -1.187 107.740 108.800 0.211 0.000 2.168 275 G HA2 -0.385 3.575 3.960 0.000 0.000 0.263 275 G HA3 -0.385 3.575 3.960 0.000 0.000 0.263 275 G C 0.216 175.316 174.900 0.334 0.000 0.977 275 G CA 1.183 46.439 45.100 0.259 0.000 0.659 275 G HN 0.575 nan 8.290 nan 0.000 0.533 276 K N -0.064 120.463 120.400 0.211 0.000 2.098 276 K HA 0.585 4.905 4.320 0.000 0.000 0.244 276 K C -0.000 176.524 176.600 -0.127 0.000 1.014 276 K CA -0.167 56.103 56.287 -0.028 0.000 0.917 276 K CB 0.808 33.147 32.500 -0.268 0.000 1.072 276 K HN 0.059 nan 8.250 nan 0.000 0.477 277 T N 1.653 116.038 114.554 -0.281 0.000 2.779 277 T HA 0.355 4.705 4.350 0.000 0.000 0.280 277 T C -1.216 173.279 174.700 -0.343 0.000 0.987 277 T CA -0.517 61.459 62.100 -0.205 0.000 0.966 277 T CB 0.177 69.020 68.868 -0.042 0.000 0.933 277 T HN 0.264 nan 8.240 nan 0.000 0.442 278 Y N 2.055 122.287 120.300 -0.113 0.000 2.328 278 Y HA 0.420 4.970 4.550 0.000 0.000 0.336 278 Y C 0.574 176.517 175.900 0.072 0.000 0.960 278 Y CA -1.134 56.955 58.100 -0.019 0.000 1.134 278 Y CB 1.225 39.667 38.460 -0.030 0.000 1.166 278 Y HN 0.274 nan 8.280 nan 0.000 0.464 279 K N 4.296 124.796 120.400 0.166 0.000 2.322 279 K HA 0.475 4.795 4.320 0.000 0.000 0.283 279 K C -0.919 175.765 176.600 0.141 0.000 1.042 279 K CA -0.090 56.274 56.287 0.128 0.000 0.958 279 K CB 0.575 33.117 32.500 0.069 0.000 0.984 279 K HN 0.656 nan 8.250 nan 0.000 0.473 280 V N 0.400 120.387 119.914 0.122 0.000 3.040 280 V HA 0.426 4.546 4.120 0.000 0.000 0.312 280 V C 0.726 176.871 176.094 0.085 0.000 1.115 280 V CA -0.518 61.808 62.300 0.044 0.000 0.998 280 V CB 1.417 33.179 31.823 -0.102 0.000 1.042 280 V HN 0.804 nan 8.190 nan 0.000 0.433 281 T N -1.717 112.858 114.554 0.034 0.000 3.044 281 T HA 0.337 4.687 4.350 0.000 0.000 0.250 281 T C 0.590 175.330 174.700 0.067 0.000 1.081 281 T CA 0.488 62.650 62.100 0.104 0.000 1.040 281 T CB -0.090 68.808 68.868 0.050 0.000 0.962 281 T HN 0.851 nan 8.240 nan 0.000 0.506 282 S N 0.485 116.052 115.700 -0.221 0.000 2.536 282 S HA 0.550 5.020 4.470 0.000 0.000 0.271 282 S C -0.824 173.332 174.600 -0.740 0.000 1.134 282 S CA -0.947 56.949 58.200 -0.507 0.000 0.897 282 S CB 1.640 64.684 63.200 -0.260 0.000 1.094 282 S HN 0.314 nan 8.310 nan 0.000 0.473 283 L N 4.053 124.645 121.223 -1.051 0.000 2.455 283 L HA 0.264 4.604 4.340 0.000 0.000 0.272 283 L C -1.391 175.100 176.870 -0.632 0.000 1.174 283 L CA -0.972 53.318 54.840 -0.917 0.000 0.869 283 L CB -0.076 41.424 42.059 -0.932 0.000 1.130 283 L HN 0.477 nan 8.230 nan 0.000 0.474 284 P HA 0.072 nan 4.420 nan 0.000 0.312 284 P C -0.850 176.277 177.300 -0.288 0.000 1.308 284 P CA -0.561 62.301 63.100 -0.397 0.000 0.743 284 P CB 0.484 31.971 31.700 -0.356 0.000 1.364 285 D N -0.158 120.195 120.400 -0.079 0.000 2.441 285 D HA 0.059 4.699 4.640 0.000 0.000 0.243 285 D C 1.292 177.681 176.300 0.148 0.000 1.257 285 D CA 0.041 54.038 54.000 -0.005 0.000 1.027 285 D CB -0.806 39.998 40.800 0.007 0.000 1.084 285 D HN 0.164 nan 8.370 nan 0.000 0.514 286 I N 1.650 122.240 120.570 0.035 0.000 2.335 286 I HA -0.306 3.864 4.170 0.000 0.000 0.251 286 I C 2.337 178.633 176.117 0.297 0.000 1.129 286 I CA 1.003 62.411 61.300 0.181 0.000 1.402 286 I CB -0.218 37.810 38.000 0.046 0.000 1.069 286 I HN 0.347 nan 8.210 nan 0.000 0.424 287 S N 0.946 116.735 115.700 0.148 0.000 2.442 287 S HA -0.142 4.328 4.470 0.000 0.000 0.236 287 S C 1.926 176.574 174.600 0.081 0.000 1.007 287 S CA 0.720 58.980 58.200 0.100 0.000 0.965 287 S CB -0.375 62.846 63.200 0.034 0.000 0.773 287 S HN 0.460 nan 8.310 nan 0.000 0.504 288 R N -0.372 120.164 120.500 0.059 0.000 2.310 288 R HA 0.326 4.666 4.340 0.000 0.000 0.202 288 R C -0.765 175.356 176.300 -0.299 0.000 0.933 288 R CA 0.008 56.024 56.100 -0.139 0.000 1.054 288 R CB 0.013 30.158 30.300 -0.258 0.000 0.985 288 R HN 0.397 nan 8.270 nan 0.000 0.489 289 F N 1.004 120.990 119.950 0.060 0.000 2.458 289 F HA 0.446 4.973 4.527 0.000 0.000 0.330 289 F C 0.504 176.345 175.800 0.068 0.000 1.082 289 F CA -1.422 56.618 58.000 0.067 0.000 0.995 289 F CB 1.174 40.246 39.000 0.121 0.000 1.170 289 F HN -0.184 nan 8.300 nan 0.000 0.478 290 I N -0.474 120.233 120.570 0.228 0.000 2.740 290 I HA 0.587 4.757 4.170 0.000 0.000 0.303 290 I C -0.028 176.219 176.117 0.216 0.000 1.044 290 I CA -1.160 60.254 61.300 0.190 0.000 1.064 290 I CB 1.808 39.878 38.000 0.116 0.000 1.249 290 I HN 0.660 nan 8.210 nan 0.000 0.433 291 N N 1.886 120.728 118.700 0.236 0.000 2.740 291 N HA -0.163 4.577 4.740 0.000 0.000 0.248 291 N C -1.171 174.572 175.510 0.388 0.000 1.062 291 N CA 1.273 54.497 53.050 0.290 0.000 0.704 291 N CB -0.895 37.691 38.487 0.165 0.000 0.968 291 N HN 0.966 nan 8.380 nan 0.000 0.547 292 T N 0.506 115.230 114.554 0.283 0.000 2.886 292 T HA 0.466 4.816 4.350 0.000 0.000 0.292 292 T C -0.186 174.194 174.700 -0.533 0.000 1.012 292 T CA -0.719 61.331 62.100 -0.083 0.000 0.982 292 T CB 2.186 70.852 68.868 -0.337 0.000 1.018 292 T HN 0.305 nan 8.240 nan 0.000 0.451 293 R N 1.732 121.760 120.500 -0.787 0.000 2.562 293 R HA 0.657 4.997 4.340 0.000 0.000 0.298 293 R C -1.496 174.434 176.300 -0.617 0.000 0.961 293 R CA -0.686 54.885 56.100 -0.882 0.000 0.881 293 R CB 0.845 30.426 30.300 -1.198 0.000 1.159 293 R HN 0.471 nan 8.270 nan 0.000 0.450 294 F N 3.315 123.236 119.950 -0.047 0.000 2.443 294 F HA 0.363 4.890 4.527 0.000 0.000 0.335 294 F C -0.038 175.817 175.800 0.091 0.000 1.104 294 F CA -0.839 57.174 58.000 0.023 0.000 1.013 294 F CB 1.900 40.861 39.000 -0.065 0.000 1.136 294 F HN 0.090 nan 8.300 nan 0.000 0.470 295 V N 2.035 122.062 119.914 0.189 0.000 2.435 295 V HA 0.534 4.654 4.120 0.000 0.000 0.290 295 V C -1.166 174.992 176.094 0.107 0.000 1.030 295 V CA -1.159 61.097 62.300 -0.073 0.000 0.881 295 V CB 1.232 32.925 31.823 -0.217 0.000 0.983 295 V HN 0.794 nan 8.190 nan 0.000 0.445 296 Y N 1.824 122.090 120.300 -0.057 0.000 2.442 296 Y HA 0.489 5.039 4.550 0.000 0.000 0.330 296 Y C -0.405 175.488 175.900 -0.011 0.000 1.100 296 Y CA -0.620 57.465 58.100 -0.026 0.000 1.034 296 Y CB 2.166 40.578 38.460 -0.080 0.000 1.285 296 Y HN 0.759 nan 8.280 nan 0.000 0.440 297 E N 6.503 126.407 120.200 -0.492 0.000 2.261 297 E HA 0.193 4.543 4.350 0.000 0.000 0.239 297 E C 0.733 176.846 176.600 -0.812 0.000 0.991 297 E CA -0.407 55.691 56.400 -0.504 0.000 0.847 297 E CB 0.927 30.474 29.700 -0.256 0.000 1.223 297 E HN 0.676 nan 8.360 nan 0.000 0.446 298 R N 2.278 122.138 120.500 -1.067 0.000 2.096 298 R HA -0.107 4.233 4.340 0.000 0.000 0.240 298 R C 0.507 176.623 176.300 -0.307 0.000 1.139 298 R CA 1.134 56.795 56.100 -0.732 0.000 0.952 298 R CB 0.266 30.389 30.300 -0.294 0.000 0.854 298 R HN 0.313 nan 8.270 nan 0.000 0.436 299 I N 2.640 123.070 120.570 -0.233 0.000 2.312 299 I HA 0.300 4.470 4.170 0.000 0.000 0.290 299 I C -2.260 173.754 176.117 -0.172 0.000 1.008 299 I CA -3.335 57.875 61.300 -0.150 0.000 1.226 299 I CB 0.975 38.912 38.000 -0.106 0.000 1.371 299 I HN -0.047 nan 8.210 nan 0.000 0.468 300 P HA 0.148 nan 4.420 nan 0.000 0.264 300 P C 0.934 178.167 177.300 -0.113 0.000 1.183 300 P CA 0.775 63.806 63.100 -0.114 0.000 0.763 300 P CB 0.627 32.285 31.700 -0.071 0.000 0.807 301 G N 2.204 110.939 108.800 -0.109 0.000 2.217 301 G HA2 -0.255 3.705 3.960 0.000 0.000 0.246 301 G HA3 -0.255 3.705 3.960 0.000 0.000 0.246 301 G C 0.113 174.884 174.900 -0.215 0.000 0.990 301 G CA -0.281 44.760 45.100 -0.098 0.000 0.627 301 G HN 0.585 nan 8.290 nan 0.000 0.522 302 Q N 1.306 120.939 119.800 -0.277 0.000 2.788 302 Q HA 0.301 4.641 4.340 0.000 0.000 0.261 302 Q C -2.654 173.217 176.000 -0.215 0.000 1.029 302 Q CA -1.782 53.788 55.803 -0.388 0.000 0.848 302 Q CB 2.225 30.701 28.738 -0.437 0.000 1.185 302 Q HN 0.339 nan 8.270 nan 0.000 0.482 303 P HA 0.050 nan 4.420 nan 0.000 0.267 303 P C -0.637 176.562 177.300 -0.168 0.000 1.205 303 P CA 0.395 63.384 63.100 -0.185 0.000 0.765 303 P CB 1.002 32.598 31.700 -0.174 0.000 0.828 304 L N 3.178 124.272 121.223 -0.215 0.000 2.309 304 L HA 0.526 4.866 4.340 0.000 0.000 0.261 304 L C -0.412 176.261 176.870 -0.329 0.000 1.021 304 L CA -1.128 53.614 54.840 -0.164 0.000 0.823 304 L CB 1.518 43.505 42.059 -0.120 0.000 1.366 304 L HN 0.279 nan 8.230 nan 0.000 0.423 305 Y N -0.293 119.903 120.300 -0.175 0.000 2.468 305 Y HA 0.561 5.111 4.550 0.000 0.000 0.342 305 Y C -1.093 174.601 175.900 -0.342 0.000 1.021 305 Y CA -0.649 57.389 58.100 -0.103 0.000 1.079 305 Y CB 1.711 40.104 38.460 -0.110 0.000 1.226 305 Y HN 0.208 nan 8.280 nan 0.000 0.460 306 Y N 0.827 121.227 120.300 0.168 0.000 2.329 306 Y HA 0.659 5.209 4.550 0.000 0.000 0.328 306 Y C -0.177 175.755 175.900 0.053 0.000 0.992 306 Y CA -1.267 56.904 58.100 0.120 0.000 1.151 306 Y CB 1.620 40.166 38.460 0.143 0.000 1.150 306 Y HN 0.703 nan 8.280 nan 0.000 0.450 307 A N 2.410 125.299 122.820 0.115 0.000 2.328 307 A HA 0.578 4.898 4.320 0.000 0.000 0.284 307 A C 0.363 178.040 177.584 0.155 0.000 1.160 307 A CA -0.446 51.618 52.037 0.045 0.000 0.818 307 A CB 0.211 19.313 19.000 0.169 0.000 1.087 307 A HN 0.760 nan 8.150 nan 0.000 0.504 308 S N 2.459 118.243 115.700 0.139 0.000 2.634 308 S HA 0.288 4.758 4.470 0.000 0.000 0.261 308 S C 0.100 174.836 174.600 0.227 0.000 1.271 308 S CA -0.586 57.744 58.200 0.217 0.000 0.985 308 S CB 0.292 63.640 63.200 0.246 0.000 0.968 308 S HN 0.673 nan 8.310 nan 0.000 0.568 309 E N 1.076 121.396 120.200 0.200 0.000 2.481 309 E HA 0.016 4.366 4.350 0.000 0.000 0.263 309 E C 0.682 177.391 176.600 0.182 0.000 0.992 309 E CA 0.702 57.205 56.400 0.171 0.000 0.938 309 E CB -0.022 29.754 29.700 0.125 0.000 0.933 309 E HN 0.828 nan 8.360 nan 0.000 0.453 310 E N 0.082 120.378 120.200 0.161 0.000 3.916 310 E HA -0.321 4.029 4.350 0.000 0.000 0.331 310 E C 0.816 177.504 176.600 0.146 0.000 0.729 310 E CA 0.822 57.300 56.400 0.130 0.000 1.222 310 E CB -1.509 28.248 29.700 0.095 0.000 1.633 310 E HN 0.544 nan 8.360 nan 0.000 0.437 311 F N 1.477 121.479 119.950 0.085 0.000 2.102 311 F HA -0.057 4.470 4.527 0.000 0.000 0.298 311 F C 1.309 177.157 175.800 0.080 0.000 1.105 311 F CA 1.576 59.620 58.000 0.074 0.000 1.239 311 F CB 0.364 39.406 39.000 0.070 0.000 0.991 311 F HN 0.002 nan 8.300 nan 0.000 0.474 312 V N 0.911 120.936 119.914 0.185 0.000 2.612 312 V HA 0.350 4.470 4.120 0.000 0.000 0.301 312 V C -0.429 175.719 176.094 0.090 0.000 1.046 312 V CA -0.754 61.602 62.300 0.094 0.000 0.946 312 V CB 1.581 33.521 31.823 0.195 0.000 1.003 312 V HN 0.197 nan 8.190 nan 0.000 0.459 313 Q N 4.082 123.907 119.800 0.042 0.000 2.452 313 Q HA 0.581 4.921 4.340 0.000 0.000 0.230 313 Q C 0.166 176.223 176.000 0.096 0.000 1.180 313 Q CA 0.393 56.231 55.803 0.058 0.000 0.914 313 Q CB 0.853 29.608 28.738 0.028 0.000 1.408 313 Q HN 1.089 nan 8.270 nan 0.000 0.520 314 G N 1.730 110.588 108.800 0.097 0.000 2.677 314 G HA2 0.512 4.472 3.960 0.000 0.000 0.291 314 G HA3 0.512 4.472 3.960 0.000 0.000 0.291 314 G C -1.765 173.023 174.900 -0.186 0.000 1.435 314 G CA -0.432 44.663 45.100 -0.010 0.000 0.826 314 G HN 0.390 nan 8.290 nan 0.000 0.491 315 E N -0.342 119.531 120.200 -0.544 0.000 2.343 315 E HA 0.472 4.822 4.350 0.000 0.000 0.278 315 E C -1.682 174.589 176.600 -0.550 0.000 0.910 315 E CA -0.787 55.358 56.400 -0.426 0.000 0.757 315 E CB 2.650 32.181 29.700 -0.280 0.000 1.218 315 E HN 0.403 nan 8.360 nan 0.000 0.435 316 L N 4.154 125.213 121.223 -0.274 0.000 2.312 316 L HA 0.541 4.881 4.340 0.000 0.000 0.281 316 L C -1.572 175.200 176.870 -0.163 0.000 1.070 316 L CA 0.230 55.071 54.840 0.001 0.000 0.805 316 L CB 0.442 42.617 42.059 0.193 0.000 1.174 316 L HN 0.472 nan 8.230 nan 0.000 0.434 317 F N 3.595 123.572 119.950 0.044 0.000 2.532 317 F HA 0.481 5.008 4.527 0.000 0.000 0.321 317 F C 0.022 175.782 175.800 -0.067 0.000 1.089 317 F CA -0.763 57.234 58.000 -0.005 0.000 0.926 317 F CB 1.658 40.660 39.000 0.003 0.000 1.168 317 F HN 0.344 nan 8.300 nan 0.000 0.459 318 K N 3.580 123.980 120.400 -0.001 0.000 2.201 318 K HA 0.470 4.790 4.320 0.000 0.000 0.278 318 K C 0.385 176.719 176.600 -0.443 0.000 1.027 318 K CA -0.264 55.755 56.287 -0.446 0.000 0.909 318 K CB 0.773 33.033 32.500 -0.400 0.000 1.062 318 K HN 0.827 nan 8.250 nan 0.000 0.465 319 I N -0.194 119.951 120.570 -0.709 0.000 4.456 319 I HA 0.173 4.343 4.170 0.000 0.000 0.329 319 I C 0.053 175.836 176.117 -0.557 0.000 1.313 319 I CA -0.402 60.432 61.300 -0.776 0.000 1.205 319 I CB 1.006 38.086 38.000 -1.533 0.000 1.179 319 I HN 0.482 nan 8.210 nan 0.000 0.419 320 T N -1.731 112.487 114.554 -0.560 0.000 2.924 320 T HA 0.594 4.944 4.350 0.000 0.000 0.291 320 T C -0.974 173.538 174.700 -0.314 0.000 1.045 320 T CA -0.420 61.453 62.100 -0.379 0.000 1.015 320 T CB 2.507 71.118 68.868 -0.429 0.000 1.103 320 T HN 0.138 nan 8.240 nan 0.000 0.496 321 D N 0.799 121.099 120.400 -0.167 0.000 2.668 321 D HA 0.328 4.968 4.640 0.000 0.000 0.247 321 D C -1.112 175.175 176.300 -0.022 0.000 1.268 321 D CA -0.059 53.874 54.000 -0.111 0.000 0.842 321 D CB 0.759 41.500 40.800 -0.098 0.000 1.399 321 D HN 0.638 nan 8.370 nan 0.000 0.530 322 T N 1.523 116.086 114.554 0.015 0.000 2.907 322 T HA 0.465 4.815 4.350 0.000 0.000 0.292 322 T C -1.997 172.759 174.700 0.093 0.000 1.043 322 T CA -1.437 60.734 62.100 0.118 0.000 1.003 322 T CB 2.302 71.307 68.868 0.229 0.000 1.084 322 T HN -0.048 nan 8.240 nan 0.000 0.483 323 P HA 0.093 nan 4.420 nan 0.000 0.236 323 P C -0.136 177.103 177.300 -0.103 0.000 1.177 323 P CA 0.314 63.352 63.100 -0.104 0.000 0.773 323 P CB -0.083 31.471 31.700 -0.244 0.000 0.878 324 Y N -1.135 119.220 120.300 0.093 0.000 2.426 324 Y HA 0.010 4.560 4.550 0.000 0.000 0.344 324 Y C 1.021 177.058 175.900 0.228 0.000 1.256 324 Y CA -0.290 57.930 58.100 0.200 0.000 1.451 324 Y CB -0.128 38.491 38.460 0.265 0.000 1.342 324 Y HN -0.119 nan 8.280 nan 0.000 0.600 325 Y N 3.083 123.549 120.300 0.277 0.000 2.644 325 Y HA 0.096 4.646 4.550 0.000 0.000 0.354 325 Y C -0.589 175.418 175.900 0.178 0.000 1.166 325 Y CA -0.751 57.421 58.100 0.121 0.000 1.591 325 Y CB -0.903 37.535 38.460 -0.037 0.000 1.346 325 Y HN 0.452 nan 8.280 nan 0.000 0.497 326 N N 4.670 123.492 118.700 0.204 0.000 2.462 326 N HA 0.637 5.377 4.740 0.000 0.000 0.242 326 N C -0.727 174.750 175.510 -0.055 0.000 1.010 326 N CA -0.279 52.885 53.050 0.191 0.000 0.939 326 N CB 0.919 39.393 38.487 -0.022 0.000 1.127 326 N HN 0.596 nan 8.380 nan 0.000 0.509 327 A N 1.420 124.236 122.820 -0.007 0.000 2.535 327 A HA 0.594 4.914 4.320 0.000 0.000 0.296 327 A C -1.208 176.375 177.584 -0.001 0.000 1.248 327 A CA -0.700 51.074 52.037 -0.438 0.000 0.686 327 A CB 0.747 18.911 19.000 -1.392 0.000 1.315 327 A HN 0.689 nan 8.150 nan 0.000 0.460 328 W N -2.540 118.853 121.300 0.154 0.000 5.820 328 W HA -0.107 4.553 4.660 -0.000 0.000 0.415 328 W C -2.265 174.355 176.519 0.168 0.000 1.627 328 W CA 0.202 57.636 57.345 0.148 0.000 0.991 328 W CB -2.341 27.170 29.460 0.085 0.000 2.842 328 W HN 0.536 nan 8.180 nan 0.000 1.416 329 P HA -0.188 nan 4.420 nan 0.000 0.219 329 P C 1.152 178.606 177.300 0.258 0.000 1.146 329 P CA 1.895 65.148 63.100 0.255 0.000 0.808 329 P CB 0.128 31.924 31.700 0.160 0.000 0.779 330 Q N 0.906 120.890 119.800 0.306 0.000 2.308 330 Q HA -0.048 4.292 4.340 0.000 0.000 0.313 330 Q C -0.411 175.675 176.000 0.145 0.000 1.075 330 Q CA 0.318 56.298 55.803 0.294 0.000 0.995 330 Q CB -0.207 28.835 28.738 0.507 0.000 1.107 330 Q HN -0.035 nan 8.270 nan 0.000 0.380 331 D N 2.621 122.970 120.400 -0.086 0.000 2.432 331 D HA 0.218 4.858 4.640 0.000 0.000 0.265 331 D C -0.548 175.793 176.300 0.069 0.000 1.160 331 D CA -0.558 53.431 54.000 -0.018 0.000 0.911 331 D CB 0.570 41.258 40.800 -0.188 0.000 1.052 331 D HN 0.643 nan 8.370 nan 0.000 0.508 332 K N 0.919 121.407 120.400 0.146 0.000 2.440 332 K HA 0.372 4.692 4.320 0.000 0.000 0.207 332 K C 0.603 177.368 176.600 0.274 0.000 1.112 332 K CA -0.439 55.959 56.287 0.185 0.000 1.036 332 K CB 1.273 33.888 32.500 0.192 0.000 0.935 332 K HN 0.290 nan 8.250 nan 0.000 0.564 333 A N 1.855 124.809 122.820 0.225 0.000 2.445 333 A HA 0.459 4.779 4.320 0.000 0.000 0.242 333 A C -0.163 177.571 177.584 0.250 0.000 1.075 333 A CA 0.144 52.281 52.037 0.167 0.000 0.777 333 A CB -0.295 18.784 19.000 0.132 0.000 1.013 333 A HN 0.302 nan 8.150 nan 0.000 0.493 334 F N -0.359 119.638 119.950 0.078 0.000 2.713 334 F HA 0.619 5.146 4.527 -0.000 0.000 0.311 334 F C -0.840 175.020 175.800 0.100 0.000 1.141 334 F CA -1.212 56.819 58.000 0.053 0.000 0.939 334 F CB 1.196 40.167 39.000 -0.048 0.000 1.325 334 F HN 0.694 nan 8.300 nan 0.000 0.453 335 V N 1.608 121.683 119.914 0.268 0.000 2.555 335 V HA 0.763 4.883 4.120 0.000 0.000 0.302 335 V C -2.296 174.038 176.094 0.400 0.000 1.038 335 V CA -0.672 61.748 62.300 0.200 0.000 0.887 335 V CB 1.645 33.501 31.823 0.055 0.000 0.991 335 V HN 1.060 nan 8.190 nan 0.000 0.434 336 Y N 4.051 124.498 120.300 0.246 0.000 2.361 336 Y HA 0.471 5.021 4.550 0.000 0.000 0.328 336 Y C 0.226 176.204 175.900 0.130 0.000 1.044 336 Y CA -0.536 57.680 58.100 0.193 0.000 1.085 336 Y CB 1.529 40.099 38.460 0.183 0.000 1.194 336 Y HN 0.957 nan 8.280 nan 0.000 0.438 337 E N 4.946 124.882 120.200 -0.441 0.000 2.210 337 E HA -0.379 3.971 4.350 0.000 0.000 0.201 337 E C -0.031 176.491 176.600 -0.130 0.000 1.339 337 E CA 1.367 57.565 56.400 -0.338 0.000 0.699 337 E CB -1.250 28.179 29.700 -0.451 0.000 1.126 337 E HN 0.990 nan 8.360 nan 0.000 0.355 338 N N -2.749 115.895 118.700 -0.094 0.000 2.936 338 N HA -0.210 4.530 4.740 0.000 0.000 0.236 338 N C -0.397 175.023 175.510 -0.150 0.000 0.930 338 N CA 1.275 54.268 53.050 -0.095 0.000 0.966 338 N CB -0.473 37.963 38.487 -0.086 0.000 1.090 338 N HN 0.208 nan 8.380 nan 0.000 0.592 339 V N 1.488 121.321 119.914 -0.135 0.000 2.427 339 V HA 0.454 4.574 4.120 0.000 0.000 0.286 339 V C 0.533 176.410 176.094 -0.362 0.000 1.034 339 V CA -0.551 61.563 62.300 -0.311 0.000 0.893 339 V CB 1.581 33.172 31.823 -0.386 0.000 0.982 339 V HN 0.090 nan 8.190 nan 0.000 0.452 340 I N 4.914 125.138 120.570 -0.577 0.000 2.331 340 I HA 0.378 4.548 4.170 0.000 0.000 0.292 340 I C -1.021 174.711 176.117 -0.641 0.000 0.998 340 I CA -0.392 60.598 61.300 -0.516 0.000 1.267 340 I CB 0.843 38.474 38.000 -0.613 0.000 1.386 340 I HN 0.490 nan 8.210 nan 0.000 0.476 341 Y N 4.561 124.472 120.300 -0.648 0.000 2.335 341 Y HA 0.585 5.135 4.550 -0.000 0.000 0.338 341 Y C 0.332 175.985 175.900 -0.413 0.000 0.977 341 Y CA -0.877 56.747 58.100 -0.795 0.000 1.114 341 Y CB 1.902 39.346 38.460 -1.693 0.000 1.182 341 Y HN 0.579 nan 8.280 nan 0.000 0.463 342 A N 6.205 129.035 122.820 0.017 0.000 2.786 342 A HA 0.587 4.907 4.320 0.000 0.000 0.346 342 A C -2.918 174.857 177.584 0.320 0.000 1.265 342 A CA -1.754 50.357 52.037 0.122 0.000 0.858 342 A CB -0.183 18.818 19.000 0.001 0.000 1.118 342 A HN 0.382 nan 8.150 nan 0.000 0.482 343 P HA 0.539 nan 4.420 nan 0.000 0.277 343 P C -0.739 176.820 177.300 0.430 0.000 1.240 343 P CA 0.064 63.444 63.100 0.466 0.000 0.798 343 P CB 0.435 32.402 31.700 0.445 0.000 0.979 344 Y N -1.949 118.467 120.300 0.192 0.000 2.871 344 Y HA 0.687 5.237 4.550 -0.000 0.000 0.331 344 Y C -1.482 174.519 175.900 0.169 0.000 1.378 344 Y CA -1.426 56.779 58.100 0.175 0.000 1.079 344 Y CB 0.831 39.374 38.460 0.138 0.000 1.441 344 Y HN 0.062 nan 8.280 nan 0.000 0.446 345 M N 1.692 121.489 119.600 0.328 0.000 2.243 345 M HA 0.561 5.041 4.480 0.000 0.000 0.324 345 M C -0.394 176.143 176.300 0.396 0.000 1.031 345 M CA -0.783 54.616 55.300 0.165 0.000 0.949 345 M CB 2.253 34.912 32.600 0.098 0.000 1.615 345 M HN 0.930 nan 8.290 nan 0.000 0.430 346 G N 1.761 110.640 108.800 0.131 0.000 2.468 346 G HA2 0.573 4.533 3.960 0.000 0.000 0.320 346 G HA3 0.573 4.533 3.960 0.000 0.000 0.320 346 G C -0.264 174.694 174.900 0.096 0.000 1.137 346 G CA -0.293 44.957 45.100 0.250 0.000 0.984 346 G HN 0.780 nan 8.290 nan 0.000 0.462 347 S N 0.795 116.678 115.700 0.306 0.000 3.137 347 S HA 0.637 5.107 4.470 0.000 0.000 0.292 347 S C 0.293 175.076 174.600 0.304 0.000 1.041 347 S CA 0.092 58.420 58.200 0.214 0.000 0.956 347 S CB 1.871 65.123 63.200 0.087 0.000 1.360 347 S HN 0.410 nan 8.310 nan 0.000 0.690 348 D N -0.700 119.763 120.400 0.105 0.000 2.500 348 D HA 0.251 4.891 4.640 0.000 0.000 0.217 348 D C 0.480 176.614 176.300 -0.277 0.000 1.159 348 D CA -0.289 53.632 54.000 -0.131 0.000 0.828 348 D CB 0.091 40.942 40.800 0.086 0.000 1.039 348 D HN 0.784 nan 8.370 nan 0.000 0.512 349 R N -1.662 118.719 120.500 -0.198 0.000 2.789 349 R HA 0.266 4.606 4.340 0.000 0.000 0.279 349 R C -1.501 174.655 176.300 -0.240 0.000 1.010 349 R CA -0.769 55.188 56.100 -0.238 0.000 0.855 349 R CB -0.164 30.103 30.300 -0.056 0.000 1.312 349 R HN -0.187 nan 8.270 nan 0.000 0.479 350 H N -0.230 118.694 119.070 -0.244 0.000 3.356 350 H HA 0.522 5.078 4.556 0.000 0.000 0.260 350 H C 0.204 175.433 175.328 -0.166 0.000 1.570 350 H CA 1.579 57.567 56.048 -0.099 0.000 1.547 350 H CB 0.389 30.175 29.762 0.040 0.000 1.774 350 H HN 0.843 nan 8.280 nan 0.000 0.542 351 G N -0.377 108.292 108.800 -0.220 0.000 2.313 351 G HA2 0.143 4.103 3.960 0.000 0.000 0.296 351 G HA3 0.143 4.103 3.960 0.000 0.000 0.296 351 G C 0.133 174.918 174.900 -0.191 0.000 1.356 351 G CA -0.236 44.757 45.100 -0.179 0.000 0.833 351 G HN 0.443 nan 8.290 nan 0.000 0.552 352 V N -1.952 117.878 119.914 -0.140 0.000 3.647 352 V HA 0.457 4.577 4.120 0.000 0.000 0.279 352 V C 1.315 177.398 176.094 -0.019 0.000 1.314 352 V CA 0.948 63.188 62.300 -0.100 0.000 1.125 352 V CB 0.004 31.765 31.823 -0.103 0.000 0.907 352 V HN 1.243 nan 8.190 nan 0.000 0.434 353 S N 1.721 117.420 115.700 -0.002 0.000 2.563 353 S HA 0.157 4.627 4.470 0.000 0.000 0.294 353 S C 1.151 175.820 174.600 0.115 0.000 1.279 353 S CA 0.457 58.714 58.200 0.094 0.000 1.069 353 S CB -0.446 62.784 63.200 0.049 0.000 0.828 353 S HN 0.763 nan 8.310 nan 0.000 0.497 354 R N -0.144 120.473 120.500 0.196 0.000 3.847 354 R HA -0.191 4.149 4.340 0.000 0.000 0.304 354 R C -0.253 175.941 176.300 -0.175 0.000 1.203 354 R CA 0.598 56.718 56.100 0.033 0.000 0.835 354 R CB -1.940 28.498 30.300 0.231 0.000 1.253 354 R HN 0.500 nan 8.270 nan 0.000 0.516 355 L N 1.746 122.818 121.223 -0.252 0.000 2.305 355 L HA 0.320 4.660 4.340 0.000 0.000 0.281 355 L C 0.037 176.540 176.870 -0.612 0.000 1.085 355 L CA -0.092 54.569 54.840 -0.299 0.000 0.813 355 L CB 0.659 42.615 42.059 -0.172 0.000 1.157 355 L HN 0.068 nan 8.230 nan 0.000 0.436 356 H N 4.317 123.103 119.070 -0.473 0.000 2.489 356 H HA 0.366 4.922 4.556 0.000 0.000 0.343 356 H C -0.661 174.452 175.328 -0.359 0.000 1.086 356 H CA -0.850 54.881 56.048 -0.527 0.000 1.198 356 H CB 2.173 31.308 29.762 -1.044 0.000 1.490 356 H HN 0.434 nan 8.280 nan 0.000 0.504 357 V N 3.445 123.249 119.914 -0.182 0.000 2.521 357 V HA 0.064 4.184 4.120 0.000 0.000 0.286 357 V C 0.422 176.395 176.094 -0.202 0.000 1.034 357 V CA 0.409 62.583 62.300 -0.209 0.000 1.045 357 V CB 0.623 32.304 31.823 -0.237 0.000 0.974 357 V HN 0.744 nan 8.190 nan 0.000 0.480 358 S N 3.649 119.145 115.700 -0.339 0.000 2.667 358 S HA 0.862 5.332 4.470 0.000 0.000 0.292 358 S C -1.195 173.268 174.600 -0.229 0.000 1.126 358 S CA -0.676 57.309 58.200 -0.359 0.000 0.881 358 S CB 2.165 65.003 63.200 -0.604 0.000 1.132 358 S HN 0.857 nan 8.310 nan 0.000 0.492 359 W N 0.218 121.511 121.300 -0.012 0.000 3.118 359 W HA 0.773 5.433 4.660 -0.000 0.000 0.328 359 W C -1.540 175.150 176.519 0.284 0.000 1.239 359 W CA -1.468 55.992 57.345 0.191 0.000 1.176 359 W CB -0.364 29.206 29.460 0.184 0.000 1.433 359 W HN 0.604 nan 8.180 nan 0.000 0.562 360 V N -0.311 119.956 119.914 0.588 0.000 2.919 360 V HA 0.827 4.947 4.120 0.000 0.000 0.316 360 V C -0.514 175.682 176.094 0.171 0.000 1.077 360 V CA -1.608 60.902 62.300 0.349 0.000 0.977 360 V CB 1.705 33.684 31.823 0.259 0.000 1.039 360 V HN 0.646 nan 8.190 nan 0.000 0.441 361 K N 1.151 121.557 120.400 0.009 0.000 2.435 361 K HA 0.731 5.051 4.320 0.000 0.000 0.251 361 K C -1.034 175.243 176.600 -0.539 0.000 0.954 361 K CA -0.572 55.467 56.287 -0.414 0.000 0.820 361 K CB 2.230 34.266 32.500 -0.773 0.000 1.292 361 K HN 0.778 nan 8.250 nan 0.000 0.436 362 S N -0.260 114.811 115.700 -1.048 0.000 2.502 362 S HA 0.513 4.983 4.470 0.000 0.000 0.304 362 S C 0.214 174.342 174.600 -0.787 0.000 1.097 362 S CA -0.548 56.915 58.200 -1.228 0.000 1.045 362 S CB 1.181 63.138 63.200 -2.070 0.000 1.019 362 S HN 0.788 nan 8.310 nan 0.000 0.481 363 G N 1.937 110.405 108.800 -0.553 0.000 3.393 363 G HA2 0.207 4.167 3.960 0.000 0.000 0.255 363 G HA3 0.207 4.167 3.960 0.000 0.000 0.255 363 G C -0.150 174.580 174.900 -0.282 0.000 1.097 363 G CA -0.230 44.649 45.100 -0.369 0.000 0.780 363 G HN 0.771 nan 8.290 nan 0.000 0.540 364 D N -0.837 119.360 120.400 -0.337 0.000 2.908 364 D HA 0.170 4.810 4.640 0.000 0.000 0.361 364 D C -0.172 175.959 176.300 -0.281 0.000 1.416 364 D CA -0.808 53.069 54.000 -0.205 0.000 0.796 364 D CB -0.230 40.551 40.800 -0.031 0.000 1.185 364 D HN -0.060 nan 8.370 nan 0.000 0.451 365 D N 0.145 120.337 120.400 -0.347 0.000 2.870 365 D HA -0.114 4.526 4.640 0.000 0.000 0.228 365 D C 1.333 177.429 176.300 -0.340 0.000 1.147 365 D CA 1.711 55.536 54.000 -0.292 0.000 0.757 365 D CB -1.436 39.272 40.800 -0.153 0.000 1.091 365 D HN 0.788 nan 8.370 nan 0.000 0.429 366 G N -0.845 107.588 108.800 -0.612 0.000 2.176 366 G HA2 -0.374 3.586 3.960 0.000 0.000 0.232 366 G HA3 -0.374 3.586 3.960 0.000 0.000 0.232 366 G C 0.930 175.353 174.900 -0.796 0.000 0.986 366 G CA 0.566 45.303 45.100 -0.604 0.000 0.643 366 G HN 0.459 nan 8.290 nan 0.000 0.522 367 Q N -0.357 119.045 119.800 -0.663 0.000 2.123 367 Q HA 0.103 4.443 4.340 0.000 0.000 0.199 367 Q C 0.650 176.530 176.000 -0.200 0.000 0.966 367 Q CA 1.521 57.030 55.803 -0.490 0.000 0.845 367 Q CB 0.209 28.640 28.738 -0.512 0.000 0.907 367 Q HN 0.477 nan 8.270 nan 0.000 0.439 368 T N -0.484 113.901 114.554 -0.283 0.000 2.909 368 T HA 0.439 4.789 4.350 0.000 0.000 0.299 368 T C -1.680 172.753 174.700 -0.445 0.000 1.073 368 T CA -0.598 61.427 62.100 -0.125 0.000 0.999 368 T CB 1.233 70.126 68.868 0.040 0.000 1.098 368 T HN 0.095 nan 8.240 nan 0.000 0.477 369 W N 1.193 122.392 121.300 -0.168 0.000 2.882 369 W HA 0.615 5.275 4.660 0.000 0.000 0.345 369 W C 0.478 176.914 176.519 -0.138 0.000 1.125 369 W CA -0.757 56.480 57.345 -0.180 0.000 1.167 369 W CB 1.143 30.488 29.460 -0.192 0.000 1.431 369 W HN 0.727 nan 8.180 nan 0.000 0.543 370 S N -0.509 115.241 115.700 0.084 0.000 2.669 370 S HA 0.507 4.977 4.470 0.000 0.000 0.270 370 S C -0.019 174.622 174.600 0.067 0.000 1.225 370 S CA -0.688 57.528 58.200 0.027 0.000 0.991 370 S CB 0.691 63.880 63.200 -0.018 0.000 0.987 370 S HN 0.339 nan 8.310 nan 0.000 0.552 371 T N 3.629 118.204 114.554 0.035 0.000 2.902 371 T HA 0.261 4.611 4.350 0.000 0.000 0.301 371 T C -2.346 172.394 174.700 0.067 0.000 1.012 371 T CA -0.321 61.795 62.100 0.026 0.000 1.151 371 T CB -0.250 68.606 68.868 -0.020 0.000 0.946 371 T HN 0.500 nan 8.240 nan 0.000 0.542 372 P HA 0.090 nan 4.420 nan 0.000 0.264 372 P C -0.262 177.049 177.300 0.018 0.000 1.183 372 P CA 0.068 63.263 63.100 0.158 0.000 0.763 372 P CB 0.442 32.266 31.700 0.207 0.000 0.807 373 E N 2.680 122.945 120.200 0.107 0.000 2.183 373 E HA 0.225 4.575 4.350 0.000 0.000 0.271 373 E C -1.008 175.581 176.600 -0.019 0.000 0.919 373 E CA -0.777 55.615 56.400 -0.014 0.000 0.781 373 E CB 0.654 30.423 29.700 0.115 0.000 1.140 373 E HN 0.273 nan 8.360 nan 0.000 0.402 374 W N 5.640 126.849 121.300 -0.152 0.000 2.322 374 W HA 0.220 4.880 4.660 0.000 0.000 0.307 374 W C 0.618 177.055 176.519 -0.136 0.000 1.220 374 W CA -0.617 56.613 57.345 -0.193 0.000 1.210 374 W CB 0.507 29.803 29.460 -0.273 0.000 1.223 374 W HN 0.705 nan 8.180 nan 0.000 0.511 375 L N 2.283 123.529 121.223 0.038 0.000 2.354 375 L HA 0.031 4.372 4.340 0.000 0.000 0.212 375 L C 1.315 178.280 176.870 0.158 0.000 1.091 375 L CA 0.866 55.729 54.840 0.038 0.000 0.828 375 L CB -0.352 41.614 42.059 -0.155 0.000 0.973 375 L HN 0.302 nan 8.230 nan 0.000 0.461 376 T N -3.958 110.633 114.554 0.062 0.000 2.912 376 T HA 0.404 4.754 4.350 0.000 0.000 0.288 376 T C -0.481 174.327 174.700 0.181 0.000 1.030 376 T CA -0.956 61.168 62.100 0.040 0.000 1.020 376 T CB 2.468 71.210 68.868 -0.210 0.000 1.056 376 T HN -0.184 nan 8.240 nan 0.000 0.480 377 D N 0.775 121.299 120.400 0.206 0.000 2.432 377 D HA 0.354 4.994 4.640 0.000 0.000 0.258 377 D C 0.484 176.814 176.300 0.049 0.000 1.146 377 D CA -0.512 53.596 54.000 0.180 0.000 1.015 377 D CB 1.004 41.908 40.800 0.173 0.000 1.107 377 D HN 0.506 nan 8.370 nan 0.000 0.529 378 L N 1.256 122.372 121.223 -0.179 0.000 2.485 378 L HA -0.013 4.327 4.340 0.000 0.000 0.275 378 L C 1.285 178.106 176.870 -0.081 0.000 1.207 378 L CA 0.091 54.737 54.840 -0.323 0.000 0.855 378 L CB 0.126 41.820 42.059 -0.609 0.000 1.114 378 L HN 0.333 nan 8.230 nan 0.000 0.485 379 H N 5.196 124.088 119.070 -0.296 0.000 2.972 379 H HA -0.016 4.540 4.556 0.000 0.000 0.343 379 H C -1.690 173.581 175.328 -0.096 0.000 1.054 379 H CA -0.960 54.855 56.048 -0.389 0.000 1.412 379 H CB 1.370 30.744 29.762 -0.646 0.000 1.385 379 H HN 0.374 nan 8.280 nan 0.000 0.600 380 P HA -0.139 nan 4.420 nan 0.000 0.217 380 P C 0.425 177.805 177.300 0.133 0.000 1.148 380 P CA 1.423 64.504 63.100 -0.032 0.000 0.828 380 P CB 0.286 31.910 31.700 -0.126 0.000 0.783 381 D N -2.863 117.766 120.400 0.381 0.000 2.358 381 D HA 0.010 4.650 4.640 0.000 0.000 0.224 381 D C 0.274 176.639 176.300 0.108 0.000 1.123 381 D CA -0.261 53.872 54.000 0.221 0.000 0.833 381 D CB -0.551 40.348 40.800 0.165 0.000 0.946 381 D HN 0.209 nan 8.370 nan 0.000 0.505 382 Y N 3.038 123.348 120.300 0.016 0.000 2.712 382 Y HA 0.040 4.590 4.550 0.000 0.000 0.333 382 Y C -1.282 174.599 175.900 -0.033 0.000 1.225 382 Y CA -0.875 57.192 58.100 -0.055 0.000 1.499 382 Y CB 0.883 39.307 38.460 -0.060 0.000 1.288 382 Y HN -0.061 nan 8.280 nan 0.000 0.575 383 P HA 0.151 nan 4.420 nan 0.000 0.254 383 P C 0.281 177.262 177.300 -0.532 0.000 1.620 383 P CA 0.141 62.634 63.100 -1.012 0.000 1.050 383 P CB 0.441 31.609 31.700 -0.886 0.000 1.539 384 T N -0.606 113.761 114.554 -0.312 0.000 2.851 384 T HA 0.058 4.408 4.350 0.000 0.000 0.262 384 T C 1.091 175.635 174.700 -0.261 0.000 1.043 384 T CA 1.112 63.072 62.100 -0.234 0.000 1.140 384 T CB -0.045 68.729 68.868 -0.156 0.000 0.872 384 T HN 0.145 nan 8.240 nan 0.000 0.446 385 V N -1.212 118.517 119.914 -0.308 0.000 3.160 385 V HA 0.723 4.843 4.120 0.000 0.000 0.310 385 V C -1.149 174.733 176.094 -0.354 0.000 1.181 385 V CA -1.264 60.816 62.300 -0.368 0.000 1.047 385 V CB 2.290 33.811 31.823 -0.505 0.000 1.068 385 V HN 0.308 nan 8.190 nan 0.000 0.441 386 N N -0.953 117.547 118.700 -0.333 0.000 2.927 386 N HA 0.496 5.236 4.740 0.000 0.000 0.248 386 N C -1.790 173.561 175.510 -0.265 0.000 1.443 386 N CA -0.624 52.273 53.050 -0.254 0.000 0.870 386 N CB 2.127 40.618 38.487 0.007 0.000 1.444 386 N HN 0.703 nan 8.380 nan 0.000 0.519 387 Y N 0.657 120.914 120.300 -0.072 0.000 2.281 387 Y HA 0.343 4.893 4.550 0.000 0.000 0.337 387 Y C 0.599 176.436 175.900 -0.105 0.000 1.304 387 Y CA 0.253 58.276 58.100 -0.128 0.000 1.465 387 Y CB 0.373 38.697 38.460 -0.226 0.000 1.350 387 Y HN 0.345 nan 8.280 nan 0.000 0.575 388 H N -0.316 118.716 119.070 -0.063 0.000 3.121 388 H HA 0.376 4.933 4.556 0.000 0.000 0.337 388 H C -1.955 173.278 175.328 -0.158 0.000 1.198 388 H CA -0.840 55.122 56.048 -0.144 0.000 1.274 388 H CB 1.735 31.406 29.762 -0.151 0.000 1.954 388 H HN 0.817 nan 8.280 nan 0.000 0.531 389 C N 6.284 125.292 119.300 -0.487 0.000 2.871 389 C HA 0.454 4.914 4.460 0.000 0.000 0.378 389 C C -0.059 174.778 174.990 -0.254 0.000 1.052 389 C CA -0.379 58.468 59.018 -0.285 0.000 1.250 389 C CB 0.336 27.923 27.740 -0.255 0.000 1.689 389 C HN 0.934 nan 8.230 nan 0.000 0.506 390 M N 3.580 123.135 119.600 -0.075 0.000 2.504 390 M HA 0.255 4.735 4.480 0.000 0.000 0.370 390 M C 0.150 176.477 176.300 0.046 0.000 1.110 390 M CA 0.302 55.621 55.300 0.032 0.000 0.938 390 M CB 0.754 33.474 32.600 0.199 0.000 1.460 390 M HN 0.614 nan 8.290 nan 0.000 0.535 391 S N 1.661 117.395 115.700 0.057 0.000 2.736 391 S HA 0.765 5.235 4.470 0.000 0.000 0.285 391 S C -1.155 173.482 174.600 0.062 0.000 1.163 391 S CA -0.503 57.768 58.200 0.117 0.000 1.025 391 S CB 1.167 64.492 63.200 0.208 0.000 1.030 391 S HN 0.418 nan 8.310 nan 0.000 0.486 392 M N 4.695 124.291 119.600 -0.006 0.000 2.414 392 M HA 0.689 5.169 4.480 0.000 0.000 0.287 392 M C -0.886 174.987 176.300 -0.711 0.000 1.181 392 M CA -0.054 55.097 55.300 -0.248 0.000 0.933 392 M CB 1.738 34.319 32.600 -0.032 0.000 1.732 392 M HN 0.862 nan 8.290 nan 0.000 0.486 393 G N 1.548 109.495 108.800 -1.422 0.000 2.430 393 G HA2 0.559 4.519 3.960 0.000 0.000 0.300 393 G HA3 0.559 4.519 3.960 0.000 0.000 0.300 393 G C -2.379 171.672 174.900 -1.416 0.000 1.330 393 G CA -0.595 43.434 45.100 -1.784 0.000 0.813 393 G HN 0.652 nan 8.290 nan 0.000 0.487 394 V N -0.480 118.906 119.914 -0.879 0.000 2.555 394 V HA 0.655 4.776 4.120 0.000 0.000 0.302 394 V C -0.518 175.626 176.094 0.084 0.000 1.038 394 V CA -0.624 61.435 62.300 -0.403 0.000 0.887 394 V CB 1.345 32.892 31.823 -0.459 0.000 0.991 394 V HN 1.050 nan 8.190 nan 0.000 0.434 395 C N 6.005 125.491 119.300 0.309 0.000 2.446 395 C HA 0.660 5.120 4.460 0.000 0.000 0.329 395 C C 0.617 175.941 174.990 0.557 0.000 1.166 395 C CA -0.801 58.495 59.018 0.463 0.000 1.341 395 C CB 0.433 28.501 27.740 0.546 0.000 1.970 395 C HN 1.028 nan 8.230 nan 0.000 0.452 396 R N 4.222 124.936 120.500 0.356 0.000 3.158 396 R HA -0.224 4.116 4.340 0.000 0.000 0.244 396 R C 0.560 177.006 176.300 0.242 0.000 0.900 396 R CA 1.464 57.692 56.100 0.213 0.000 0.618 396 R CB -1.820 28.449 30.300 -0.051 0.000 1.061 396 R HN 1.091 nan 8.270 nan 0.000 0.471 397 N N -1.807 117.019 118.700 0.209 0.000 2.800 397 N HA -0.237 4.503 4.740 0.000 0.000 0.250 397 N C -0.797 174.685 175.510 -0.045 0.000 1.078 397 N CA 1.522 54.638 53.050 0.110 0.000 0.804 397 N CB -0.432 38.143 38.487 0.146 0.000 1.135 397 N HN 0.559 nan 8.380 nan 0.000 0.565 398 R N 0.269 120.777 120.500 0.014 0.000 2.670 398 R HA 0.511 4.851 4.340 0.000 0.000 0.289 398 R C -0.838 175.302 176.300 -0.267 0.000 0.965 398 R CA -1.016 54.976 56.100 -0.181 0.000 0.899 398 R CB 1.813 31.939 30.300 -0.290 0.000 1.173 398 R HN 0.029 nan 8.270 nan 0.000 0.456 399 L N 2.842 123.850 121.223 -0.359 0.000 2.331 399 L HA 0.381 4.721 4.340 0.000 0.000 0.278 399 L C -1.307 175.353 176.870 -0.350 0.000 1.106 399 L CA 0.487 55.115 54.840 -0.353 0.000 0.824 399 L CB 0.247 42.218 42.059 -0.147 0.000 1.142 399 L HN 0.412 nan 8.230 nan 0.000 0.443 400 F N 4.213 123.964 119.950 -0.332 0.000 2.495 400 F HA 0.781 5.308 4.527 0.000 0.000 0.327 400 F C 0.191 175.827 175.800 -0.273 0.000 1.103 400 F CA -0.380 57.479 58.000 -0.236 0.000 0.949 400 F CB 1.989 40.761 39.000 -0.381 0.000 1.142 400 F HN 0.599 nan 8.300 nan 0.000 0.457 401 A N 3.304 126.148 122.820 0.039 0.000 2.486 401 A HA 0.722 5.042 4.320 0.000 0.000 0.300 401 A C -1.410 176.123 177.584 -0.085 0.000 1.048 401 A CA -0.741 51.257 52.037 -0.065 0.000 0.696 401 A CB 1.492 20.412 19.000 -0.135 0.000 1.278 401 A HN 0.716 nan 8.150 nan 0.000 0.405 402 M N 3.741 123.302 119.600 -0.065 0.000 2.135 402 M HA 0.402 4.882 4.480 0.000 0.000 0.345 402 M C -1.211 174.957 176.300 -0.219 0.000 1.340 402 M CA -0.498 54.755 55.300 -0.078 0.000 1.162 402 M CB -0.307 32.322 32.600 0.047 0.000 1.570 402 M HN 0.460 nan 8.290 nan 0.000 0.454 403 I N 5.233 125.537 120.570 -0.443 0.000 2.297 403 I HA 0.258 4.428 4.170 0.000 0.000 0.291 403 I C 0.137 176.058 176.117 -0.326 0.000 1.033 403 I CA -0.106 60.792 61.300 -0.669 0.000 1.253 403 I CB 0.297 37.287 38.000 -1.684 0.000 1.396 403 I HN 0.685 nan 8.210 nan 0.000 0.476 404 E N 4.091 124.213 120.200 -0.130 0.000 2.248 404 E HA 0.480 4.830 4.350 0.000 0.000 0.272 404 E C -0.474 176.163 176.600 0.061 0.000 1.008 404 E CA -0.623 55.774 56.400 -0.005 0.000 0.856 404 E CB 1.490 31.219 29.700 0.048 0.000 1.120 404 E HN 0.399 nan 8.360 nan 0.000 0.397 405 T N 2.341 116.913 114.554 0.031 0.000 2.797 405 T HA 0.471 4.821 4.350 0.000 0.000 0.279 405 T C -0.350 174.275 174.700 -0.125 0.000 0.991 405 T CA -0.735 61.334 62.100 -0.051 0.000 0.979 405 T CB 0.722 69.551 68.868 -0.065 0.000 0.943 405 T HN 0.282 nan 8.240 nan 0.000 0.444 406 R N 1.052 121.443 120.500 -0.182 0.000 2.744 406 R HA 0.579 4.919 4.340 0.000 0.000 0.279 406 R C -0.071 176.104 176.300 -0.208 0.000 0.977 406 R CA -1.020 54.963 56.100 -0.195 0.000 0.906 406 R CB 1.567 31.719 30.300 -0.247 0.000 1.197 406 R HN 0.743 nan 8.270 nan 0.000 0.463 407 T N -0.562 113.884 114.554 -0.180 0.000 2.918 407 T HA 0.123 4.473 4.350 0.000 0.000 0.302 407 T C 1.195 175.796 174.700 -0.165 0.000 1.045 407 T CA -0.535 61.461 62.100 -0.173 0.000 1.114 407 T CB 0.651 69.437 68.868 -0.137 0.000 0.965 407 T HN 0.354 nan 8.240 nan 0.000 0.540 408 L N 2.602 123.721 121.223 -0.174 0.000 2.156 408 L HA 0.151 4.492 4.340 0.000 0.000 0.208 408 L C 2.889 179.688 176.870 -0.117 0.000 1.095 408 L CA 1.876 56.623 54.840 -0.155 0.000 0.770 408 L CB -1.105 40.832 42.059 -0.203 0.000 0.914 408 L HN 0.981 nan 8.230 nan 0.000 0.439 409 A N -0.895 121.858 122.820 -0.111 0.000 1.930 409 A HA -0.147 4.173 4.320 0.000 0.000 0.217 409 A C 2.088 179.633 177.584 -0.065 0.000 1.175 409 A CA 1.651 53.640 52.037 -0.080 0.000 0.627 409 A CB -0.124 18.832 19.000 -0.073 0.000 0.815 409 A HN 0.378 nan 8.150 nan 0.000 0.443 410 K N -2.448 117.907 120.400 -0.076 0.000 2.517 410 K HA 0.132 4.452 4.320 0.000 0.000 0.210 410 K C 0.053 176.604 176.600 -0.081 0.000 1.166 410 K CA 0.143 56.392 56.287 -0.063 0.000 1.030 410 K CB 0.724 33.193 32.500 -0.052 0.000 0.974 410 K HN 0.269 nan 8.250 nan 0.000 0.585 411 N N 1.197 119.829 118.700 -0.113 0.000 2.725 411 N HA -0.187 4.553 4.740 0.000 0.000 0.249 411 N C -1.071 174.344 175.510 -0.158 0.000 1.103 411 N CA 0.838 53.794 53.050 -0.157 0.000 0.707 411 N CB -0.986 37.405 38.487 -0.159 0.000 1.043 411 N HN 0.363 nan 8.380 nan 0.000 0.553 412 A N 0.272 123.015 122.820 -0.128 0.000 2.328 412 A HA 0.505 4.825 4.320 0.000 0.000 0.284 412 A C 0.436 177.948 177.584 -0.120 0.000 1.160 412 A CA -0.514 51.459 52.037 -0.107 0.000 0.818 412 A CB 0.536 19.488 19.000 -0.080 0.000 1.087 412 A HN 0.404 nan 8.150 nan 0.000 0.504 413 L N 2.881 124.039 121.223 -0.108 0.000 2.499 413 L HA 0.263 4.603 4.340 0.000 0.000 0.273 413 L C 1.056 177.883 176.870 -0.071 0.000 1.195 413 L CA 1.411 56.194 54.840 -0.095 0.000 0.882 413 L CB 0.645 42.663 42.059 -0.068 0.000 1.133 413 L HN 0.761 nan 8.230 nan 0.000 0.483 414 T N 4.014 118.526 114.554 -0.071 0.000 2.964 414 T HA 0.234 4.584 4.350 0.000 0.000 0.250 414 T C 0.087 174.770 174.700 -0.027 0.000 0.982 414 T CA 0.005 62.070 62.100 -0.058 0.000 0.959 414 T CB -0.071 68.741 68.868 -0.093 0.000 1.141 414 T HN 0.698 nan 8.240 nan 0.000 0.494 415 N N -0.048 118.643 118.700 -0.015 0.000 2.710 415 N HA 0.257 4.997 4.740 0.000 0.000 0.257 415 N C -1.979 173.543 175.510 0.020 0.000 1.140 415 N CA -0.347 52.714 53.050 0.018 0.000 0.953 415 N CB 1.620 40.142 38.487 0.057 0.000 1.664 415 N HN 0.105 nan 8.380 nan 0.000 0.497 416 C N 1.794 121.105 119.300 0.018 0.000 2.455 416 C HA 0.956 5.416 4.460 0.000 0.000 0.320 416 C C 0.087 175.100 174.990 0.037 0.000 1.226 416 C CA -0.484 58.537 59.018 0.005 0.000 1.569 416 C CB 0.287 28.009 27.740 -0.030 0.000 2.200 416 C HN 0.735 nan 8.230 nan 0.000 0.491 417 A N 2.286 125.127 122.820 0.034 0.000 2.422 417 A HA 0.771 5.091 4.320 0.000 0.000 0.302 417 A C -1.293 176.354 177.584 0.106 0.000 1.041 417 A CA -0.439 51.674 52.037 0.128 0.000 0.708 417 A CB 0.951 20.126 19.000 0.292 0.000 1.257 417 A HN 0.879 nan 8.150 nan 0.000 0.414 418 L N 2.219 123.552 121.223 0.182 0.000 2.281 418 L HA 0.682 5.022 4.340 0.000 0.000 0.285 418 L C -1.474 175.602 176.870 0.343 0.000 1.074 418 L CA -0.015 54.938 54.840 0.188 0.000 0.817 418 L CB 0.074 42.226 42.059 0.155 0.000 1.168 418 L HN 0.630 nan 8.230 nan 0.000 0.434 419 W N 3.963 125.200 121.300 -0.105 0.000 2.529 419 W HA 0.517 5.177 4.660 0.000 0.000 0.321 419 W C -0.676 175.837 176.519 -0.010 0.000 1.047 419 W CA -1.173 56.077 57.345 -0.159 0.000 1.216 419 W CB 1.473 30.564 29.460 -0.615 0.000 1.357 419 W HN 0.671 nan 8.180 nan 0.000 0.489 420 D N 0.750 121.302 120.400 0.254 0.000 2.596 420 D HA 0.801 5.441 4.640 0.000 0.000 0.234 420 D C -1.070 175.200 176.300 -0.049 0.000 1.181 420 D CA -1.078 52.871 54.000 -0.084 0.000 0.856 420 D CB 2.295 42.528 40.800 -0.944 0.000 1.498 420 D HN 0.283 nan 8.370 nan 0.000 0.446 421 R N 0.113 120.429 120.500 -0.307 0.000 2.643 421 R HA 0.443 4.783 4.340 0.000 0.000 0.269 421 R C -2.911 173.163 176.300 -0.376 0.000 1.037 421 R CA -2.086 53.721 56.100 -0.488 0.000 0.894 421 R CB 2.209 31.845 30.300 -1.107 0.000 1.238 421 R HN 0.401 nan 8.270 nan 0.000 0.459 422 P HA 0.101 nan 4.420 nan 0.000 0.275 422 P C -0.597 176.636 177.300 -0.112 0.000 1.227 422 P CA -0.209 62.755 63.100 -0.227 0.000 0.781 422 P CB 0.699 32.278 31.700 -0.203 0.000 0.906 423 M N 1.273 120.779 119.600 -0.157 0.000 2.242 423 M HA 0.134 4.615 4.480 0.000 0.000 0.344 423 M C 0.689 176.981 176.300 -0.015 0.000 1.140 423 M CA 0.183 55.377 55.300 -0.177 0.000 1.160 423 M CB -0.207 31.994 32.600 -0.665 0.000 1.491 423 M HN 0.277 nan 8.290 nan 0.000 0.459 424 S N 3.854 119.582 115.700 0.047 0.000 2.533 424 S HA 0.452 4.922 4.470 0.000 0.000 0.282 424 S C -0.007 174.684 174.600 0.151 0.000 1.304 424 S CA -0.469 57.786 58.200 0.092 0.000 1.063 424 S CB 0.346 63.607 63.200 0.100 0.000 0.881 424 S HN 0.534 nan 8.310 nan 0.000 0.493 425 R N 1.218 121.785 120.500 0.112 0.000 2.739 425 R HA 0.607 4.947 4.340 0.000 0.000 0.271 425 R C -1.465 174.841 176.300 0.009 0.000 1.010 425 R CA -0.780 55.371 56.100 0.085 0.000 0.897 425 R CB 1.387 31.748 30.300 0.101 0.000 1.236 425 R HN 0.436 nan 8.270 nan 0.000 0.466 426 S N 1.662 117.330 115.700 -0.054 0.000 2.454 426 S HA 0.537 5.007 4.470 0.000 0.000 0.306 426 S C -0.606 173.779 174.600 -0.358 0.000 1.100 426 S CA -0.841 57.264 58.200 -0.158 0.000 1.087 426 S CB 0.747 63.877 63.200 -0.117 0.000 1.019 426 S HN 0.290 nan 8.310 nan 0.000 0.480 427 L N 4.207 125.191 121.223 -0.398 0.000 2.341 427 L HA 0.516 4.856 4.340 0.000 0.000 0.278 427 L C -0.602 175.918 176.870 -0.582 0.000 1.005 427 L CA -0.815 53.753 54.840 -0.454 0.000 0.818 427 L CB 1.126 43.016 42.059 -0.282 0.000 1.259 427 L HN 0.605 nan 8.230 nan 0.000 0.418 428 H N 5.220 124.204 119.070 -0.144 0.000 2.673 428 H HA 0.540 5.096 4.556 -0.000 0.000 0.293 428 H C -0.622 174.506 175.328 -0.334 0.000 1.065 428 H CA -0.352 55.578 56.048 -0.197 0.000 1.236 428 H CB 1.274 31.025 29.762 -0.018 0.000 1.389 428 H HN 0.392 nan 8.280 nan 0.000 0.481 429 L N 1.701 122.594 121.223 -0.550 0.000 2.323 429 L HA 0.527 4.867 4.340 0.000 0.000 0.265 429 L C 0.216 176.820 176.870 -0.444 0.000 1.012 429 L CA -0.816 53.690 54.840 -0.557 0.000 0.820 429 L CB 2.223 43.777 42.059 -0.842 0.000 1.334 429 L HN 0.347 nan 8.230 nan 0.000 0.427 430 T N 0.685 115.172 114.554 -0.113 0.000 2.809 430 T HA 0.632 4.982 4.350 0.000 0.000 0.284 430 T C 0.183 175.022 174.700 0.232 0.000 0.992 430 T CA -0.013 62.137 62.100 0.082 0.000 0.957 430 T CB 1.526 70.424 68.868 0.048 0.000 0.942 430 T HN 1.061 nan 8.240 nan 0.000 0.439 431 G N 1.751 110.772 108.800 0.369 0.000 2.806 431 G HA2 0.215 4.175 3.960 0.000 0.000 0.236 431 G HA3 0.215 4.175 3.960 0.000 0.000 0.236 431 G C 0.765 175.924 174.900 0.432 0.000 1.387 431 G CA 0.232 45.514 45.100 0.304 0.000 0.884 431 G HN 1.996 nan 8.290 nan 0.000 0.560 432 G N -2.244 106.690 108.800 0.223 0.000 2.201 432 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 432 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 432 G C 0.323 175.282 174.900 0.098 0.000 0.994 432 G CA 0.510 45.748 45.100 0.229 0.000 0.644 432 G HN 1.509 nan 8.290 nan 0.000 0.508 433 I N 2.614 123.140 120.570 -0.074 0.000 2.336 433 I HA 0.560 4.730 4.170 0.000 0.000 0.292 433 I C 0.497 176.512 176.117 -0.171 0.000 0.991 433 I CA -0.181 60.982 61.300 -0.228 0.000 1.227 433 I CB 1.819 39.514 38.000 -0.508 0.000 1.366 433 I HN 0.245 nan 8.210 nan 0.000 0.466 434 T N 2.535 117.003 114.554 -0.144 0.000 2.900 434 T HA 0.556 4.906 4.350 0.000 0.000 0.295 434 T C -0.748 173.886 174.700 -0.110 0.000 1.044 434 T CA -0.999 61.036 62.100 -0.109 0.000 0.995 434 T CB 2.461 71.287 68.868 -0.069 0.000 1.072 434 T HN 0.591 nan 8.240 nan 0.000 0.473 435 K N 1.365 121.710 120.400 -0.092 0.000 2.637 435 K HA 0.626 4.946 4.320 0.000 0.000 0.248 435 K C -0.626 175.944 176.600 -0.051 0.000 0.971 435 K CA -0.710 55.531 56.287 -0.077 0.000 0.858 435 K CB 1.644 34.081 32.500 -0.105 0.000 1.170 435 K HN 0.970 nan 8.250 nan 0.000 0.443 436 A N 2.786 125.589 122.820 -0.028 0.000 2.425 436 A HA 0.557 4.877 4.320 0.000 0.000 0.249 436 A C 0.133 177.706 177.584 -0.018 0.000 1.084 436 A CA -0.110 51.916 52.037 -0.019 0.000 0.781 436 A CB 0.491 19.487 19.000 -0.006 0.000 1.019 436 A HN 0.841 nan 8.150 nan 0.000 0.490 437 A N 2.760 125.569 122.820 -0.019 0.000 2.498 437 A HA 0.412 4.732 4.320 0.000 0.000 0.239 437 A C 0.835 178.413 177.584 -0.011 0.000 1.068 437 A CA 0.347 52.372 52.037 -0.019 0.000 0.766 437 A CB -0.342 18.646 19.000 -0.018 0.000 1.003 437 A HN 1.325 nan 8.150 nan 0.000 0.497 438 N N -0.794 117.897 118.700 -0.014 0.000 2.869 438 N HA -0.163 4.577 4.740 0.000 0.000 0.249 438 N C -0.398 175.112 175.510 0.000 0.000 1.104 438 N CA 1.589 54.634 53.050 -0.009 0.000 0.760 438 N CB -1.653 36.831 38.487 -0.006 0.000 1.108 438 N HN 1.068 nan 8.380 nan 0.000 0.555 439 Q N -2.113 117.688 119.800 0.001 0.000 2.630 439 Q HA 0.541 4.881 4.340 0.000 0.000 0.295 439 Q C -0.056 175.936 176.000 -0.014 0.000 0.944 439 Q CA -0.913 54.903 55.803 0.021 0.000 0.766 439 Q CB 0.742 29.527 28.738 0.077 0.000 1.471 439 Q HN -0.002 nan 8.270 nan 0.000 0.416 440 R N -0.356 120.105 120.500 -0.065 0.000 2.362 440 R HA 0.238 4.578 4.340 0.000 0.000 0.227 440 R C -0.387 175.753 176.300 -0.268 0.000 0.905 440 R CA 0.074 56.053 56.100 -0.202 0.000 1.067 440 R CB 0.298 30.422 30.300 -0.293 0.000 1.078 440 R HN 0.502 nan 8.270 nan 0.000 0.516 441 Y N 0.894 121.160 120.300 -0.058 0.000 2.299 441 Y HA 0.397 4.947 4.550 -0.000 0.000 0.326 441 Y C 0.540 176.380 175.900 -0.101 0.000 1.164 441 Y CA -0.815 57.244 58.100 -0.068 0.000 1.234 441 Y CB 1.137 39.572 38.460 -0.042 0.000 1.219 441 Y HN -0.042 nan 8.280 nan 0.000 0.497 442 A N 1.688 124.509 122.820 0.002 0.000 2.318 442 A HA 0.610 4.930 4.320 0.000 0.000 0.324 442 A C -0.269 177.244 177.584 -0.118 0.000 1.170 442 A CA -0.749 51.226 52.037 -0.105 0.000 0.810 442 A CB 0.339 19.199 19.000 -0.232 0.000 1.198 442 A HN 0.726 nan 8.150 nan 0.000 0.484 443 T N 0.862 115.342 114.554 -0.123 0.000 2.767 443 T HA 0.616 4.966 4.350 0.000 0.000 0.288 443 T C -0.194 174.373 174.700 -0.221 0.000 0.963 443 T CA -0.512 61.499 62.100 -0.148 0.000 1.019 443 T CB 0.289 69.114 68.868 -0.072 0.000 0.923 443 T HN 0.340 nan 8.240 nan 0.000 0.468 444 I N 4.033 124.361 120.570 -0.403 0.000 2.354 444 I HA 0.266 4.436 4.170 0.000 0.000 0.292 444 I C 0.386 176.362 176.117 -0.235 0.000 0.989 444 I CA -0.841 60.215 61.300 -0.408 0.000 1.188 444 I CB 0.978 38.494 38.000 -0.807 0.000 1.342 444 I HN 0.852 nan 8.210 nan 0.000 0.457 445 H N 6.706 125.759 119.070 -0.029 0.000 2.690 445 H HA 0.523 5.079 4.556 0.000 0.000 0.289 445 H C -1.648 173.789 175.328 0.182 0.000 1.089 445 H CA -0.297 55.798 56.048 0.079 0.000 1.299 445 H CB 1.276 31.088 29.762 0.084 0.000 1.405 445 H HN 0.348 nan 8.280 nan 0.000 0.463 446 V N 8.504 128.346 119.914 -0.120 0.000 2.445 446 V HA 0.184 4.304 4.120 0.000 0.000 0.283 446 V C -2.321 173.745 176.094 -0.047 0.000 1.014 446 V CA -1.659 60.651 62.300 0.017 0.000 0.852 446 V CB 1.590 33.600 31.823 0.311 0.000 1.021 446 V HN 0.770 nan 8.190 nan 0.000 0.435 447 P HA 0.078 nan 4.420 nan 0.000 0.261 447 P C 0.077 177.340 177.300 -0.063 0.000 1.183 447 P CA 0.609 63.632 63.100 -0.128 0.000 0.761 447 P CB 0.180 31.844 31.700 -0.061 0.000 0.785 448 D N 1.312 121.635 120.400 -0.128 0.000 2.701 448 D HA -0.213 4.427 4.640 0.000 0.000 0.235 448 D C 1.271 177.461 176.300 -0.184 0.000 1.155 448 D CA 0.805 54.684 54.000 -0.201 0.000 0.649 448 D CB -1.161 39.569 40.800 -0.117 0.000 1.050 448 D HN 0.715 nan 8.370 nan 0.000 0.425 449 H N -0.880 118.177 119.070 -0.021 0.000 2.422 449 H HA -0.024 4.532 4.556 0.000 0.000 0.298 449 H C 1.792 177.079 175.328 -0.069 0.000 1.098 449 H CA 1.384 57.428 56.048 -0.008 0.000 1.315 449 H CB -0.213 29.593 29.762 0.072 0.000 1.382 449 H HN 0.389 nan 8.280 nan 0.000 0.523 450 G N 1.252 109.922 108.800 -0.216 0.000 2.179 450 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 450 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 450 G C 0.013 174.844 174.900 -0.115 0.000 1.010 450 G CA 0.556 45.611 45.100 -0.075 0.000 0.736 450 G HN 0.404 nan 8.290 nan 0.000 0.513 451 L N -0.921 120.392 121.223 0.150 0.000 2.360 451 L HA 0.844 5.184 4.340 0.000 0.000 0.271 451 L C 0.325 177.114 176.870 -0.135 0.000 1.057 451 L CA -1.214 53.516 54.840 -0.184 0.000 0.803 451 L CB 0.936 42.767 42.059 -0.380 0.000 1.207 451 L HN -0.030 nan 8.230 nan 0.000 0.445 452 F N -0.379 119.582 119.950 0.018 0.000 2.618 452 F HA 0.445 4.972 4.527 0.000 0.000 0.332 452 F C 0.151 175.940 175.800 -0.018 0.000 1.061 452 F CA -1.295 56.725 58.000 0.034 0.000 0.974 452 F CB 1.179 40.194 39.000 0.025 0.000 1.310 452 F HN -0.077 nan 8.300 nan 0.000 0.491 453 V N 1.710 121.763 119.914 0.232 0.000 2.584 453 V HA 0.299 4.419 4.120 0.000 0.000 0.303 453 V C 0.950 177.098 176.094 0.090 0.000 1.035 453 V CA 1.619 63.993 62.300 0.123 0.000 1.172 453 V CB -0.100 31.781 31.823 0.097 0.000 0.896 453 V HN 1.080 nan 8.190 nan 0.000 0.486 454 G N 3.650 112.485 108.800 0.058 0.000 2.194 454 G HA2 -0.182 3.778 3.960 0.000 0.000 0.236 454 G HA3 -0.182 3.778 3.960 0.000 0.000 0.236 454 G C -0.061 174.852 174.900 0.022 0.000 0.987 454 G CA 0.024 45.147 45.100 0.039 0.000 0.635 454 G HN 0.669 nan 8.290 nan 0.000 0.520 455 D N -0.139 120.261 120.400 0.001 0.000 2.341 455 D HA 0.464 5.104 4.640 0.000 0.000 0.245 455 D C 0.407 176.704 176.300 -0.005 0.000 1.106 455 D CA -0.419 53.565 54.000 -0.026 0.000 0.905 455 D CB 0.584 41.328 40.800 -0.093 0.000 1.202 455 D HN 0.137 nan 8.370 nan 0.000 0.426 456 F N 2.139 122.028 119.950 -0.102 0.000 2.538 456 F HA 0.253 4.780 4.527 0.000 0.000 0.371 456 F C -0.103 175.646 175.800 -0.086 0.000 1.087 456 F CA -0.134 57.825 58.000 -0.067 0.000 1.250 456 F CB 0.409 39.370 39.000 -0.065 0.000 1.110 456 F HN 0.043 nan 8.300 nan 0.000 0.570 457 V N 4.460 123.947 119.914 -0.712 0.000 2.808 457 V HA 0.452 4.572 4.120 0.000 0.000 0.308 457 V C -1.148 174.451 176.094 -0.825 0.000 1.099 457 V CA -1.055 60.904 62.300 -0.567 0.000 0.920 457 V CB 1.489 33.154 31.823 -0.264 0.000 1.014 457 V HN 0.875 nan 8.190 nan 0.000 0.425 458 N N 2.687 121.029 118.700 -0.596 0.000 2.321 458 N HA 0.621 5.361 4.740 0.000 0.000 0.299 458 N C -2.011 173.293 175.510 -0.343 0.000 1.048 458 N CA -0.358 52.505 53.050 -0.312 0.000 0.836 458 N CB 2.192 40.719 38.487 0.067 0.000 1.269 458 N HN 0.628 nan 8.380 nan 0.000 0.486 459 F N 0.604 120.615 119.950 0.101 0.000 2.520 459 F HA 0.432 4.959 4.527 0.000 0.000 0.322 459 F C 0.237 176.149 175.800 0.188 0.000 1.103 459 F CA -0.488 57.622 58.000 0.183 0.000 0.926 459 F CB 2.193 41.241 39.000 0.080 0.000 1.154 459 F HN 0.230 nan 8.300 nan 0.000 0.453 460 S N 2.274 118.247 115.700 0.456 0.000 2.547 460 S HA 0.324 4.794 4.470 0.000 0.000 0.281 460 S C -0.402 174.442 174.600 0.408 0.000 1.118 460 S CA -1.059 57.362 58.200 0.368 0.000 0.947 460 S CB 1.423 64.828 63.200 0.342 0.000 1.053 460 S HN 0.763 nan 8.310 nan 0.000 0.482 461 N N 0.909 119.774 118.700 0.276 0.000 2.714 461 N HA -0.198 4.542 4.740 0.000 0.000 0.250 461 N C 1.168 176.793 175.510 0.192 0.000 1.117 461 N CA 1.026 54.216 53.050 0.233 0.000 0.719 461 N CB -1.490 37.172 38.487 0.292 0.000 1.081 461 N HN 0.788 nan 8.380 nan 0.000 0.557 462 S N -0.363 115.394 115.700 0.094 0.000 2.419 462 S HA 0.134 4.604 4.470 0.000 0.000 0.233 462 S C 1.513 175.997 174.600 -0.193 0.000 1.016 462 S CA 1.474 59.571 58.200 -0.171 0.000 0.974 462 S CB -0.070 62.947 63.200 -0.305 0.000 0.786 462 S HN 1.295 nan 8.310 nan 0.000 0.492 463 A N -0.699 122.070 122.820 -0.085 0.000 2.861 463 A HA -0.109 4.212 4.320 0.000 0.000 0.261 463 A C 0.312 177.822 177.584 -0.123 0.000 1.351 463 A CA 0.929 52.919 52.037 -0.077 0.000 0.904 463 A CB -2.412 16.561 19.000 -0.047 0.000 1.076 463 A HN 0.976 nan 8.150 nan 0.000 0.729 464 V N 1.318 121.126 119.914 -0.178 0.000 2.407 464 V HA 0.426 4.546 4.120 0.000 0.000 0.291 464 V C 0.777 176.769 176.094 -0.170 0.000 1.018 464 V CA -0.019 62.167 62.300 -0.189 0.000 0.842 464 V CB 1.528 33.191 31.823 -0.267 0.000 0.996 464 V HN 0.485 nan 8.190 nan 0.000 0.426 465 T N 4.100 118.578 114.554 -0.126 0.000 2.891 465 T HA 0.320 4.670 4.350 0.000 0.000 0.296 465 T C 1.363 175.981 174.700 -0.137 0.000 1.025 465 T CA 1.393 63.428 62.100 -0.109 0.000 1.149 465 T CB 0.346 69.163 68.868 -0.084 0.000 1.007 465 T HN 1.483 nan 8.240 nan 0.000 0.528 466 G N 2.162 110.886 108.800 -0.126 0.000 2.241 466 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 466 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 466 G C 0.258 175.041 174.900 -0.195 0.000 0.998 466 G CA -0.086 44.929 45.100 -0.141 0.000 0.621 466 G HN 0.811 nan 8.290 nan 0.000 0.519 467 V N 1.632 121.389 119.914 -0.262 0.000 2.284 467 V HA 0.705 4.825 4.120 0.000 0.000 0.260 467 V C 0.336 176.274 176.094 -0.260 0.000 1.084 467 V CA 0.529 62.562 62.300 -0.444 0.000 0.894 467 V CB 0.782 32.212 31.823 -0.655 0.000 1.119 467 V HN 0.814 nan 8.190 nan 0.000 0.484 468 S N 3.328 118.970 115.700 -0.096 0.000 2.560 468 S HA 0.669 5.139 4.470 0.000 0.000 0.283 468 S C -0.037 174.639 174.600 0.127 0.000 1.141 468 S CA 0.589 58.830 58.200 0.068 0.000 0.902 468 S CB 1.276 64.486 63.200 0.015 0.000 1.104 468 S HN 1.858 nan 8.310 nan 0.000 0.454 469 G N 3.934 112.841 108.800 0.179 0.000 2.598 469 G HA2 -0.164 3.796 3.960 0.000 0.000 0.244 469 G HA3 -0.164 3.796 3.960 0.000 0.000 0.244 469 G C -1.223 173.748 174.900 0.118 0.000 1.302 469 G CA 0.164 45.347 45.100 0.139 0.000 0.903 469 G HN 0.819 nan 8.290 nan 0.000 0.575 470 D N 1.454 121.892 120.400 0.063 0.000 2.343 470 D HA 0.571 5.211 4.640 0.000 0.000 0.255 470 D C 0.923 177.164 176.300 -0.099 0.000 1.187 470 D CA 0.760 54.713 54.000 -0.078 0.000 0.875 470 D CB 0.683 41.559 40.800 0.127 0.000 1.136 470 D HN 0.518 nan 8.370 nan 0.000 0.469 471 M N 0.512 119.972 119.600 -0.234 0.000 2.704 471 M HA 0.406 4.886 4.480 0.000 0.000 0.284 471 M C -0.076 176.128 176.300 -0.160 0.000 1.275 471 M CA -0.900 54.356 55.300 -0.073 0.000 0.811 471 M CB 2.464 35.144 32.600 0.132 0.000 1.741 471 M HN 0.237 nan 8.290 nan 0.000 0.458 472 T N -1.476 113.063 114.554 -0.025 0.000 2.924 472 T HA 0.664 5.014 4.350 0.000 0.000 0.291 472 T C -0.456 174.284 174.700 0.066 0.000 1.045 472 T CA -0.871 61.224 62.100 -0.008 0.000 1.015 472 T CB 1.404 70.282 68.868 0.018 0.000 1.103 472 T HN 0.378 nan 8.240 nan 0.000 0.496 473 V N 2.556 122.489 119.914 0.033 0.000 2.485 473 V HA 0.406 4.526 4.120 0.000 0.000 0.287 473 V C 1.462 177.633 176.094 0.127 0.000 1.022 473 V CA 0.440 62.788 62.300 0.080 0.000 1.067 473 V CB -0.075 31.685 31.823 -0.105 0.000 0.967 473 V HN 1.207 nan 8.190 nan 0.000 0.479 474 A N 4.603 127.542 122.820 0.198 0.000 1.887 474 A HA 0.252 4.572 4.320 0.000 0.000 0.212 474 A C 1.122 178.806 177.584 0.167 0.000 1.198 474 A CA 1.163 53.320 52.037 0.200 0.000 0.628 474 A CB 0.115 19.302 19.000 0.312 0.000 0.847 474 A HN 0.873 nan 8.150 nan 0.000 0.449 475 T N -2.728 111.929 114.554 0.171 0.000 2.900 475 T HA 0.535 4.885 4.350 0.000 0.000 0.303 475 T C -0.811 173.998 174.700 0.183 0.000 1.142 475 T CA -0.076 62.097 62.100 0.122 0.000 1.007 475 T CB 1.275 70.158 68.868 0.025 0.000 1.156 475 T HN 1.091 nan 8.240 nan 0.000 0.490 476 V N 2.131 122.156 119.914 0.185 0.000 2.398 476 V HA 0.591 4.711 4.120 0.000 0.000 0.286 476 V C 0.788 177.000 176.094 0.196 0.000 1.026 476 V CA -0.680 61.772 62.300 0.253 0.000 0.868 476 V CB 0.442 32.473 31.823 0.347 0.000 0.982 476 V HN 1.000 nan 8.190 nan 0.000 0.443 477 I N 2.970 123.660 120.570 0.201 0.000 2.270 477 I HA 0.153 4.323 4.170 0.000 0.000 0.239 477 I C 0.867 177.073 176.117 0.148 0.000 1.080 477 I CA 1.343 62.726 61.300 0.137 0.000 1.383 477 I CB 0.034 38.102 38.000 0.113 0.000 1.097 477 I HN 0.972 nan 8.210 nan 0.000 0.420 478 D N -0.754 119.764 120.400 0.197 0.000 2.921 478 D HA 0.066 4.706 4.640 0.000 0.000 0.329 478 D C 0.334 176.742 176.300 0.180 0.000 1.293 478 D CA -0.693 53.403 54.000 0.159 0.000 0.964 478 D CB 0.254 41.120 40.800 0.110 0.000 1.435 478 D HN 0.015 nan 8.370 nan 0.000 0.548 479 K N -1.091 119.336 120.400 0.044 0.000 2.439 479 K HA 0.023 4.343 4.320 0.000 0.000 0.197 479 K C -0.176 176.266 176.600 -0.264 0.000 1.041 479 K CA 1.096 57.286 56.287 -0.162 0.000 0.970 479 K CB -0.106 32.287 32.500 -0.178 0.000 0.773 479 K HN 0.189 nan 8.250 nan 0.000 0.479 480 D N -0.080 120.338 120.400 0.030 0.000 2.469 480 D HA 0.120 4.760 4.640 0.000 0.000 0.213 480 D C -0.745 175.692 176.300 0.228 0.000 1.135 480 D CA 0.021 54.061 54.000 0.067 0.000 0.834 480 D CB 0.402 41.222 40.800 0.033 0.000 1.009 480 D HN 0.237 nan 8.370 nan 0.000 0.507 481 N N -0.019 118.922 118.700 0.402 0.000 2.324 481 N HA 0.485 5.225 4.740 0.000 0.000 0.285 481 N C -1.191 174.509 175.510 0.316 0.000 1.076 481 N CA -0.800 52.411 53.050 0.268 0.000 0.864 481 N CB 2.218 40.818 38.487 0.189 0.000 1.632 481 N HN -0.094 nan 8.380 nan 0.000 0.478 482 F N -1.647 118.317 119.950 0.023 0.000 2.685 482 F HA 0.834 5.361 4.527 0.001 0.000 0.315 482 F C -0.745 175.066 175.800 0.018 0.000 1.126 482 F CA -0.925 57.056 58.000 -0.031 0.000 0.950 482 F CB 1.219 40.075 39.000 -0.240 0.000 1.360 482 F HN 0.353 nan 8.300 nan 0.000 0.469 483 T N -0.170 114.515 114.554 0.217 0.000 2.924 483 T HA 0.803 5.153 4.350 0.000 0.000 0.291 483 T C -0.900 173.970 174.700 0.282 0.000 1.045 483 T CA -0.403 61.774 62.100 0.128 0.000 1.015 483 T CB 1.529 70.470 68.868 0.121 0.000 1.103 483 T HN 1.574 nan 8.240 nan 0.000 0.496 484 V N -0.015 119.999 119.914 0.166 0.000 2.769 484 V HA 0.826 4.946 4.120 0.000 0.000 0.312 484 V C -0.783 175.345 176.094 0.056 0.000 1.061 484 V CA -1.284 61.098 62.300 0.137 0.000 0.931 484 V CB 1.424 33.274 31.823 0.045 0.000 1.010 484 V HN 0.950 nan 8.190 nan 0.000 0.433 485 L N 4.517 125.727 121.223 -0.021 0.000 2.255 485 L HA 0.684 5.024 4.340 0.000 0.000 0.289 485 L C 0.644 177.382 176.870 -0.221 0.000 1.046 485 L CA 0.581 55.254 54.840 -0.277 0.000 0.816 485 L CB 0.990 42.863 42.059 -0.309 0.000 1.197 485 L HN 1.162 nan 8.230 nan 0.000 0.427 486 T N 2.280 116.685 114.554 -0.248 0.000 2.847 486 T HA 0.507 4.857 4.350 0.000 0.000 0.279 486 T C -1.847 172.751 174.700 -0.169 0.000 0.984 486 T CA -1.511 60.477 62.100 -0.187 0.000 0.988 486 T CB 1.084 69.843 68.868 -0.181 0.000 1.040 486 T HN 0.512 nan 8.240 nan 0.000 0.528 487 P HA 0.094 nan 4.420 nan 0.000 0.225 487 P C 0.191 177.434 177.300 -0.095 0.000 1.156 487 P CA 0.545 63.586 63.100 -0.098 0.000 0.787 487 P CB 0.051 31.708 31.700 -0.071 0.000 0.802 488 N N -0.511 118.129 118.700 -0.101 0.000 2.509 488 N HA 0.274 5.014 4.740 0.000 0.000 0.280 488 N C -0.951 174.506 175.510 -0.087 0.000 1.306 488 N CA -0.758 52.242 53.050 -0.082 0.000 0.782 488 N CB 1.775 40.222 38.487 -0.066 0.000 1.493 488 N HN -0.034 nan 8.380 nan 0.000 0.498 489 Q N -0.314 119.446 119.800 -0.067 0.000 2.458 489 Q HA 0.509 4.849 4.340 0.000 0.000 0.282 489 Q C -1.388 174.584 176.000 -0.047 0.000 1.106 489 Q CA -0.743 55.025 55.803 -0.058 0.000 0.814 489 Q CB 2.566 31.275 28.738 -0.048 0.000 1.425 489 Q HN 0.654 nan 8.270 nan 0.000 0.437 490 Q N -0.203 119.572 119.800 -0.042 0.000 2.456 490 Q HA 0.311 4.651 4.340 0.000 0.000 0.283 490 Q C -0.144 175.839 176.000 -0.029 0.000 1.084 490 Q CA -0.199 55.582 55.803 -0.037 0.000 0.801 490 Q CB 2.468 31.181 28.738 -0.043 0.000 1.434 490 Q HN 0.918 nan 8.270 nan 0.000 0.419 491 T N -2.915 111.624 114.554 -0.025 0.000 3.129 491 T HA 0.123 4.473 4.350 0.000 0.000 0.251 491 T C 0.411 175.099 174.700 -0.021 0.000 1.117 491 T CA 0.251 62.338 62.100 -0.020 0.000 1.034 491 T CB -0.027 68.831 68.868 -0.017 0.000 0.968 491 T HN 0.394 nan 8.240 nan 0.000 0.526 492 S N 0.187 115.872 115.700 -0.025 0.000 2.568 492 S HA 0.597 5.067 4.470 0.000 0.000 0.293 492 S C -1.463 173.119 174.600 -0.031 0.000 1.089 492 S CA -1.090 57.095 58.200 -0.025 0.000 0.945 492 S CB 1.611 64.796 63.200 -0.025 0.000 1.077 492 S HN 0.126 nan 8.310 nan 0.000 0.485 493 D N 1.100 121.482 120.400 -0.029 0.000 2.348 493 D HA 0.406 5.047 4.640 0.000 0.000 0.253 493 D C -0.629 175.646 176.300 -0.042 0.000 1.161 493 D CA 0.154 54.133 54.000 -0.034 0.000 0.876 493 D CB 0.431 41.214 40.800 -0.028 0.000 1.160 493 D HN 0.400 nan 8.370 nan 0.000 0.459 494 L N 3.235 124.425 121.223 -0.055 0.000 2.309 494 L HA 0.480 4.820 4.340 0.000 0.000 0.282 494 L C -0.018 176.807 176.870 -0.075 0.000 1.036 494 L CA -0.674 54.125 54.840 -0.068 0.000 0.806 494 L CB 1.115 43.121 42.059 -0.088 0.000 1.220 494 L HN 0.346 nan 8.230 nan 0.000 0.429 495 N N 2.184 120.843 118.700 -0.069 0.000 2.519 495 N HA 0.086 4.826 4.740 0.000 0.000 0.291 495 N C -0.622 174.851 175.510 -0.062 0.000 1.107 495 N CA -0.424 52.587 53.050 -0.066 0.000 0.904 495 N CB 1.369 39.830 38.487 -0.044 0.000 1.500 495 N HN 0.627 nan 8.380 nan 0.000 0.510 496 N N 2.296 120.946 118.700 -0.083 0.000 2.346 496 N HA 0.079 4.819 4.740 0.000 0.000 0.225 496 N C -0.093 175.421 175.510 0.006 0.000 1.144 496 N CA -0.336 52.674 53.050 -0.066 0.000 0.837 496 N CB -0.124 38.268 38.487 -0.158 0.000 1.069 496 N HN 0.458 nan 8.380 nan 0.000 0.487 497 A N -0.369 122.457 122.820 0.011 0.000 2.565 497 A HA 0.445 4.765 4.320 0.000 0.000 0.237 497 A C 1.583 179.195 177.584 0.047 0.000 1.053 497 A CA 0.543 52.603 52.037 0.038 0.000 0.755 497 A CB -0.763 18.247 19.000 0.016 0.000 0.980 497 A HN 1.001 nan 8.150 nan 0.000 0.506 498 G N 0.801 109.642 108.800 0.067 0.000 2.199 498 G HA2 -0.237 3.723 3.960 0.000 0.000 0.254 498 G HA3 -0.237 3.723 3.960 0.000 0.000 0.254 498 G C 0.328 175.273 174.900 0.076 0.000 0.982 498 G CA 0.908 46.043 45.100 0.060 0.000 0.632 498 G HN 1.040 nan 8.290 nan 0.000 0.529 499 K N 1.644 122.108 120.400 0.107 0.000 2.156 499 K HA 0.498 4.819 4.320 0.000 0.000 0.271 499 K C 0.102 176.832 176.600 0.216 0.000 0.995 499 K CA -0.831 55.533 56.287 0.129 0.000 0.890 499 K CB 0.362 32.923 32.500 0.102 0.000 1.073 499 K HN 0.179 nan 8.250 nan 0.000 0.454 500 N N 5.212 123.997 118.700 0.141 0.000 2.458 500 N HA 0.223 4.963 4.740 0.000 0.000 0.270 500 N C -0.625 174.949 175.510 0.106 0.000 1.102 500 N CA -0.093 52.996 53.050 0.066 0.000 0.967 500 N CB 0.554 39.037 38.487 -0.008 0.000 1.078 500 N HN 0.599 nan 8.380 nan 0.000 0.471 501 W N 1.245 122.410 121.300 -0.225 0.000 3.098 501 W HA 0.484 5.144 4.660 -0.000 0.000 0.367 501 W C -1.413 174.821 176.519 -0.475 0.000 1.163 501 W CA -0.634 56.562 57.345 -0.249 0.000 1.113 501 W CB 0.417 29.872 29.460 -0.009 0.000 1.501 501 W HN 0.388 nan 8.180 nan 0.000 0.598 502 H N 0.638 119.899 119.070 0.317 0.000 2.865 502 H HA 0.645 5.201 4.556 -0.000 0.000 0.362 502 H C -0.765 174.652 175.328 0.149 0.000 1.114 502 H CA -0.703 55.385 56.048 0.066 0.000 1.208 502 H CB 2.972 32.831 29.762 0.161 0.000 1.727 502 H HN 0.346 nan 8.280 nan 0.000 0.534 503 M N 1.518 121.119 119.600 0.002 0.000 2.501 503 M HA 0.533 5.013 4.480 0.000 0.000 0.293 503 M C -0.508 175.742 176.300 -0.082 0.000 1.192 503 M CA -0.075 55.189 55.300 -0.059 0.000 0.886 503 M CB 2.083 34.639 32.600 -0.073 0.000 1.710 503 M HN 0.961 nan 8.290 nan 0.000 0.457 504 G N 1.157 109.934 108.800 -0.039 0.000 2.240 504 G HA2 -0.112 3.848 3.960 0.000 0.000 0.181 504 G HA3 -0.112 3.848 3.960 0.000 0.000 0.181 504 G C -0.343 174.596 174.900 0.065 0.000 1.028 504 G CA 0.021 45.101 45.100 -0.034 0.000 0.760 504 G HN 0.917 nan 8.290 nan 0.000 0.508 505 T N -1.907 112.707 114.554 0.100 0.000 2.944 505 T HA 0.787 5.138 4.350 0.000 0.000 0.284 505 T C -0.168 174.633 174.700 0.168 0.000 1.010 505 T CA -0.106 62.090 62.100 0.159 0.000 1.025 505 T CB 2.380 71.277 68.868 0.048 0.000 1.079 505 T HN 1.150 nan 8.240 nan 0.000 0.516 506 S N 0.727 116.502 115.700 0.125 0.000 2.720 506 S HA 0.359 4.830 4.470 0.000 0.000 0.278 506 S C 0.069 174.609 174.600 -0.101 0.000 1.172 506 S CA -0.858 57.303 58.200 -0.066 0.000 1.019 506 S CB 0.665 63.585 63.200 -0.467 0.000 1.049 506 S HN 0.736 nan 8.310 nan 0.000 0.483 507 F N 5.040 124.818 119.950 -0.285 0.000 2.095 507 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 507 F C 2.120 177.600 175.800 -0.532 0.000 1.104 507 F CA 1.997 59.716 58.000 -0.467 0.000 1.232 507 F CB -0.035 38.634 39.000 -0.552 0.000 0.987 507 F HN 0.811 nan 8.300 nan 0.000 0.475 508 H N -0.206 118.828 119.070 -0.060 0.000 2.428 508 H HA 0.029 4.585 4.556 -0.000 0.000 0.296 508 H C 1.575 176.745 175.328 -0.263 0.000 1.062 508 H CA 1.073 57.026 56.048 -0.160 0.000 1.350 508 H CB -0.153 29.596 29.762 -0.020 0.000 1.403 508 H HN 0.263 nan 8.280 nan 0.000 0.533 509 K N 1.230 121.506 120.400 -0.206 0.000 2.404 509 K HA 0.170 4.491 4.320 0.000 0.000 0.194 509 K C 0.246 176.770 176.600 -0.127 0.000 1.023 509 K CA 0.038 56.199 56.287 -0.210 0.000 1.094 509 K CB 0.703 32.922 32.500 -0.467 0.000 0.841 509 K HN -0.018 nan 8.250 nan 0.000 0.523 510 S N 2.519 118.082 115.700 -0.228 0.000 2.509 510 S HA 0.366 4.836 4.470 0.000 0.000 0.297 510 S C -2.452 171.936 174.600 -0.354 0.000 1.118 510 S CA -1.243 56.827 58.200 -0.217 0.000 1.074 510 S CB 1.962 65.030 63.200 -0.220 0.000 1.038 510 S HN 0.069 nan 8.310 nan 0.000 0.498 511 P HA 0.151 nan 4.420 nan 0.000 0.274 511 P C -0.955 176.159 177.300 -0.309 0.000 1.231 511 P CA -0.555 62.395 63.100 -0.251 0.000 0.790 511 P CB 0.469 32.096 31.700 -0.122 0.000 0.951 512 W N 1.766 122.861 121.300 -0.342 0.000 2.181 512 W HA 0.206 4.866 4.660 0.000 0.000 0.335 512 W C 1.484 177.814 176.519 -0.316 0.000 1.310 512 W CA -0.121 56.995 57.345 -0.382 0.000 1.226 512 W CB 0.292 29.407 29.460 -0.575 0.000 1.155 512 W HN 0.285 nan 8.180 nan 0.000 0.565 513 R N 3.379 123.905 120.500 0.044 0.000 2.229 513 R HA 0.295 4.635 4.340 0.000 0.000 0.328 513 R C -0.848 175.405 176.300 -0.077 0.000 1.009 513 R CA -0.492 55.596 56.100 -0.020 0.000 0.864 513 R CB 0.372 30.695 30.300 0.038 0.000 1.085 513 R HN 0.432 nan 8.270 nan 0.000 0.453 514 K N 3.101 123.398 120.400 -0.172 0.000 2.413 514 K HA 0.267 4.587 4.320 0.000 0.000 0.257 514 K C -1.188 175.384 176.600 -0.045 0.000 0.946 514 K CA -0.676 55.480 56.287 -0.218 0.000 0.823 514 K CB 2.419 34.597 32.500 -0.537 0.000 1.109 514 K HN 0.446 nan 8.250 nan 0.000 0.427 515 T N 1.877 116.471 114.554 0.067 0.000 2.874 515 T HA 0.062 4.413 4.350 0.000 0.000 0.321 515 T C -0.782 173.992 174.700 0.123 0.000 1.075 515 T CA -0.595 61.558 62.100 0.088 0.000 0.966 515 T CB 0.497 69.438 68.868 0.120 0.000 1.001 515 T HN 0.399 nan 8.240 nan 0.000 0.476 516 D N 3.122 123.579 120.400 0.094 0.000 2.358 516 D HA 0.084 4.724 4.640 0.000 0.000 0.258 516 D C 0.693 177.048 176.300 0.092 0.000 1.223 516 D CA -0.228 53.833 54.000 0.101 0.000 0.886 516 D CB 0.677 41.523 40.800 0.076 0.000 1.120 516 D HN 0.461 nan 8.370 nan 0.000 0.482 517 L N 3.234 124.511 121.223 0.090 0.000 2.640 517 L HA 0.290 4.630 4.340 0.000 0.000 0.230 517 L C 1.554 178.453 176.870 0.048 0.000 1.123 517 L CA 0.010 54.898 54.840 0.081 0.000 0.900 517 L CB -0.554 41.535 42.059 0.050 0.000 1.146 517 L HN 0.659 nan 8.230 nan 0.000 0.484 518 G N 1.220 110.047 108.800 0.045 0.000 2.645 518 G HA2 -0.326 3.634 3.960 0.000 0.000 0.246 518 G HA3 -0.326 3.634 3.960 0.000 0.000 0.246 518 G C -0.568 174.340 174.900 0.013 0.000 1.322 518 G CA -0.334 44.784 45.100 0.030 0.000 0.898 518 G HN 0.046 nan 8.290 nan 0.000 0.573 519 L N 1.202 122.430 121.223 0.007 0.000 2.404 519 L HA 0.516 4.856 4.340 0.000 0.000 0.277 519 L C 1.010 177.876 176.870 -0.007 0.000 1.184 519 L CA -0.472 54.367 54.840 -0.002 0.000 1.013 519 L CB -0.708 41.349 42.059 -0.003 0.000 1.318 519 L HN 0.414 nan 8.230 nan 0.000 0.435 520 I N 7.380 127.932 120.570 -0.031 0.000 2.828 520 I HA -0.015 4.155 4.170 0.000 0.000 0.292 520 I C -1.498 174.619 176.117 -0.001 0.000 1.206 520 I CA -1.000 60.269 61.300 -0.052 0.000 1.420 520 I CB -0.137 37.733 38.000 -0.216 0.000 1.368 520 I HN 0.495 nan 8.210 nan 0.000 0.556 521 P HA -0.043 nan 4.420 nan 0.000 0.269 521 P C 0.249 177.599 177.300 0.082 0.000 1.215 521 P CA -0.006 63.122 63.100 0.047 0.000 0.780 521 P CB 0.990 32.718 31.700 0.046 0.000 0.898 522 S N -0.391 115.361 115.700 0.086 0.000 3.706 522 S HA -0.086 4.384 4.470 0.000 0.000 0.363 522 S C -0.293 174.416 174.600 0.182 0.000 0.999 522 S CA 0.476 58.751 58.200 0.125 0.000 1.143 522 S CB -1.304 61.984 63.200 0.147 0.000 0.902 522 S HN 0.341 nan 8.310 nan 0.000 0.476 523 V N 1.339 121.332 119.914 0.132 0.000 2.577 523 V HA 0.423 4.543 4.120 0.000 0.000 0.303 523 V C 1.034 177.152 176.094 0.040 0.000 1.042 523 V CA -0.237 62.159 62.300 0.159 0.000 0.872 523 V CB 2.018 33.945 31.823 0.174 0.000 0.998 523 V HN 0.446 nan 8.190 nan 0.000 0.423 524 T N 2.679 117.191 114.554 -0.069 0.000 2.925 524 T HA 0.215 4.565 4.350 0.000 0.000 0.245 524 T C 0.294 174.921 174.700 -0.121 0.000 1.025 524 T CA 0.679 62.681 62.100 -0.164 0.000 1.149 524 T CB 0.234 68.895 68.868 -0.345 0.000 0.866 524 T HN 0.682 nan 8.240 nan 0.000 0.437 525 E N 0.294 120.419 120.200 -0.125 0.000 2.331 525 E HA 0.532 4.882 4.350 0.000 0.000 0.275 525 E C -1.667 175.081 176.600 0.246 0.000 0.895 525 E CA -0.528 55.926 56.400 0.090 0.000 0.753 525 E CB 3.090 32.903 29.700 0.189 0.000 1.216 525 E HN -0.078 nan 8.360 nan 0.000 0.434 526 V N 2.165 122.258 119.914 0.299 0.000 2.427 526 V HA 0.392 4.512 4.120 0.000 0.000 0.286 526 V C -0.696 175.637 176.094 0.398 0.000 1.034 526 V CA -0.434 62.097 62.300 0.384 0.000 0.893 526 V CB 1.111 33.138 31.823 0.341 0.000 0.982 526 V HN 0.681 nan 8.190 nan 0.000 0.452 527 H N 2.869 122.120 119.070 0.301 0.000 3.042 527 H HA 0.583 5.139 4.556 0.000 0.000 0.345 527 H C -0.517 174.983 175.328 0.287 0.000 1.052 527 H CA 0.719 56.933 56.048 0.275 0.000 1.311 527 H CB 1.503 31.435 29.762 0.283 0.000 1.810 527 H HN 0.920 nan 8.280 nan 0.000 0.505 528 S N 3.013 118.664 115.700 -0.081 0.000 3.425 528 S HA -0.125 4.345 4.470 0.000 0.000 0.815 528 S C -1.620 173.144 174.600 0.274 0.000 1.102 528 S CA 0.163 58.402 58.200 0.065 0.000 1.114 528 S CB -0.647 62.652 63.200 0.164 0.000 0.716 528 S HN 0.764 nan 8.310 nan 0.000 0.321 529 F N 2.000 122.011 119.950 0.101 0.000 2.588 529 F HA 0.663 5.191 4.527 0.000 0.000 0.318 529 F C -0.440 175.430 175.800 0.117 0.000 1.155 529 F CA 0.446 58.500 58.000 0.090 0.000 0.967 529 F CB 1.517 40.507 39.000 -0.017 0.000 1.236 529 F HN 0.958 nan 8.300 nan 0.000 0.455 530 A N 4.094 126.833 122.820 -0.135 0.000 2.340 530 A HA 0.571 4.891 4.320 0.000 0.000 0.297 530 A C -0.583 176.931 177.584 -0.117 0.000 1.195 530 A CA -0.592 51.455 52.037 0.017 0.000 0.769 530 A CB 0.567 19.644 19.000 0.128 0.000 1.163 530 A HN 0.647 nan 8.150 nan 0.000 0.472 531 T N 3.726 118.328 114.554 0.079 0.000 2.867 531 T HA 0.142 4.492 4.350 0.000 0.000 0.297 531 T C 1.346 176.074 174.700 0.047 0.000 0.989 531 T CA 0.044 62.228 62.100 0.141 0.000 1.159 531 T CB 0.189 69.223 68.868 0.276 0.000 0.928 531 T HN 0.443 nan 8.240 nan 0.000 0.538 532 I N 2.157 122.696 120.570 -0.052 0.000 2.499 532 I HA 0.168 4.338 4.170 0.000 0.000 0.243 532 I C 1.057 177.119 176.117 -0.092 0.000 1.085 532 I CA 0.968 62.051 61.300 -0.363 0.000 1.422 532 I CB -0.575 37.157 38.000 -0.447 0.000 1.165 532 I HN 0.736 nan 8.210 nan 0.000 0.440 533 D N -2.218 118.202 120.400 0.034 0.000 3.103 533 D HA 0.036 4.676 4.640 0.000 0.000 0.337 533 D C 0.274 176.642 176.300 0.113 0.000 1.356 533 D CA -0.557 53.496 54.000 0.089 0.000 0.951 533 D CB 0.086 40.929 40.800 0.071 0.000 1.438 533 D HN -0.242 nan 8.370 nan 0.000 0.562 534 N N -1.268 117.481 118.700 0.083 0.000 2.520 534 N HA -0.023 4.717 4.740 0.000 0.000 0.185 534 N C 0.295 175.826 175.510 0.036 0.000 1.068 534 N CA 0.947 54.024 53.050 0.046 0.000 0.911 534 N CB -0.066 38.419 38.487 -0.003 0.000 0.961 534 N HN 0.290 nan 8.380 nan 0.000 0.446 535 N N -1.448 117.309 118.700 0.095 0.000 2.332 535 N HA 0.222 4.962 4.740 0.000 0.000 0.190 535 N C 0.468 176.095 175.510 0.194 0.000 1.117 535 N CA 0.558 53.693 53.050 0.141 0.000 0.883 535 N CB 1.269 39.803 38.487 0.077 0.000 1.089 535 N HN 0.179 nan 8.380 nan 0.000 0.480 536 G N 0.004 108.879 108.800 0.125 0.000 2.548 536 G HA2 0.535 4.495 3.960 0.000 0.000 0.301 536 G HA3 0.535 4.495 3.960 0.000 0.000 0.301 536 G C -1.940 172.975 174.900 0.026 0.000 1.349 536 G CA -0.718 44.340 45.100 -0.070 0.000 0.792 536 G HN 0.065 nan 8.290 nan 0.000 0.481 537 F N -2.422 117.522 119.950 -0.010 0.000 2.817 537 F HA 0.918 5.444 4.527 -0.000 0.000 0.317 537 F C -0.361 175.443 175.800 0.007 0.000 1.168 537 F CA -1.359 56.526 58.000 -0.190 0.000 0.911 537 F CB 1.137 39.752 39.000 -0.642 0.000 1.337 537 F HN 1.139 nan 8.300 nan 0.000 0.464 538 A N 1.526 124.456 122.820 0.184 0.000 2.384 538 A HA 0.925 5.245 4.320 0.000 0.000 0.312 538 A C -1.258 176.472 177.584 0.243 0.000 1.113 538 A CA -0.943 51.273 52.037 0.298 0.000 0.779 538 A CB 1.657 20.773 19.000 0.192 0.000 1.307 538 A HN 0.817 nan 8.150 nan 0.000 0.436 539 M N 1.229 121.073 119.600 0.406 0.000 2.395 539 M HA 0.477 4.957 4.480 0.000 0.000 0.307 539 M C 0.494 177.031 176.300 0.395 0.000 1.091 539 M CA -0.424 55.105 55.300 0.381 0.000 0.919 539 M CB 2.366 35.252 32.600 0.477 0.000 1.662 539 M HN 0.884 nan 8.290 nan 0.000 0.440 540 G N 1.497 110.514 108.800 0.362 0.000 2.539 540 G HA2 0.510 4.470 3.960 0.000 0.000 0.258 540 G HA3 0.510 4.470 3.960 0.000 0.000 0.258 540 G C -1.473 173.664 174.900 0.395 0.000 1.202 540 G CA -0.006 45.298 45.100 0.340 0.000 0.851 540 G HN 0.790 nan 8.290 nan 0.000 0.556 541 Y N -0.875 119.479 120.300 0.090 0.000 2.656 541 Y HA 0.714 5.264 4.550 0.000 0.000 0.334 541 Y C -0.840 175.134 175.900 0.123 0.000 1.179 541 Y CA -1.549 56.609 58.100 0.096 0.000 1.050 541 Y CB 1.067 39.495 38.460 -0.053 0.000 1.308 541 Y HN 1.048 nan 8.280 nan 0.000 0.456 542 H N -0.250 118.793 119.070 -0.045 0.000 3.016 542 H HA 0.595 5.151 4.556 0.000 0.000 0.362 542 H C -1.851 173.544 175.328 0.112 0.000 1.233 542 H CA -1.016 54.930 56.048 -0.170 0.000 1.124 542 H CB 2.162 31.852 29.762 -0.120 0.000 1.850 542 H HN 0.766 nan 8.280 nan 0.000 0.549 543 Q N 1.498 121.300 119.800 0.003 0.000 2.330 543 Q HA 0.445 4.785 4.340 0.000 0.000 0.269 543 Q C -0.607 175.462 176.000 0.115 0.000 1.022 543 Q CA -0.274 55.529 55.803 0.001 0.000 0.796 543 Q CB 1.741 30.550 28.738 0.119 0.000 1.271 543 Q HN 1.122 nan 8.270 nan 0.000 0.450 544 G N 3.296 112.158 108.800 0.103 0.000 4.165 544 G HA2 0.068 4.028 3.960 0.000 0.000 0.287 544 G HA3 0.068 4.028 3.960 0.000 0.000 0.287 544 G C 0.220 175.180 174.900 0.100 0.000 1.019 544 G CA -0.134 45.074 45.100 0.179 0.000 0.806 544 G HN 0.583 nan 8.290 nan 0.000 0.447 545 D N 0.354 120.788 120.400 0.057 0.000 2.213 545 D HA 0.049 4.689 4.640 0.000 0.000 0.205 545 D C 1.349 177.670 176.300 0.035 0.000 0.961 545 D CA 1.181 55.203 54.000 0.038 0.000 0.853 545 D CB 0.979 41.790 40.800 0.017 0.000 0.967 545 D HN 0.377 nan 8.370 nan 0.000 0.496 546 V N -2.549 117.388 119.914 0.038 0.000 3.102 546 V HA 0.811 4.931 4.120 0.000 0.000 0.312 546 V C -0.686 175.431 176.094 0.038 0.000 1.135 546 V CA -1.364 60.956 62.300 0.033 0.000 1.022 546 V CB 1.685 33.524 31.823 0.028 0.000 1.056 546 V HN -0.007 nan 8.190 nan 0.000 0.436 547 A N 2.700 125.539 122.820 0.030 0.000 2.354 547 A HA 0.861 5.181 4.320 0.000 0.000 0.269 547 A C -1.686 175.916 177.584 0.030 0.000 1.109 547 A CA -1.079 50.976 52.037 0.029 0.000 0.800 547 A CB -0.365 18.648 19.000 0.020 0.000 1.045 547 A HN 0.965 nan 8.150 nan 0.000 0.489 548 P HA 0.392 nan 4.420 nan 0.000 0.282 548 P C -0.536 176.791 177.300 0.045 0.000 1.259 548 P CA -0.692 62.427 63.100 0.032 0.000 0.826 548 P CB 0.731 32.448 31.700 0.028 0.000 1.064 549 R N 0.759 121.284 120.500 0.042 0.000 2.679 549 R HA 0.168 4.508 4.340 0.000 0.000 0.268 549 R C 0.362 176.691 176.300 0.049 0.000 1.044 549 R CA 0.284 56.417 56.100 0.055 0.000 1.105 549 R CB 0.328 30.656 30.300 0.046 0.000 0.989 549 R HN 0.519 nan 8.270 nan 0.000 0.447 550 E N 1.102 121.337 120.200 0.059 0.000 2.212 550 E HA 0.429 4.779 4.350 0.000 0.000 0.268 550 E C -1.213 175.310 176.600 -0.129 0.000 0.902 550 E CA -0.841 55.569 56.400 0.016 0.000 0.779 550 E CB 2.507 32.293 29.700 0.144 0.000 1.172 550 E HN 0.131 nan 8.360 nan 0.000 0.409 551 V N 1.261 121.027 119.914 -0.246 0.000 2.760 551 V HA 0.807 4.927 4.120 0.000 0.000 0.309 551 V C 0.222 176.019 176.094 -0.494 0.000 1.077 551 V CA -0.383 61.676 62.300 -0.401 0.000 0.910 551 V CB 1.702 33.393 31.823 -0.220 0.000 1.008 551 V HN 0.941 nan 8.190 nan 0.000 0.424 552 G N 3.285 111.668 108.800 -0.695 0.000 2.435 552 G HA2 0.630 4.590 3.960 0.000 0.000 0.228 552 G HA3 0.630 4.590 3.960 0.000 0.000 0.228 552 G C -1.913 172.916 174.900 -0.118 0.000 1.198 552 G CA 0.092 45.004 45.100 -0.313 0.000 0.948 552 G HN 1.293 nan 8.290 nan 0.000 0.487 553 L N -2.853 118.473 121.223 0.171 0.000 2.415 553 L HA 0.941 5.281 4.340 0.000 0.000 0.256 553 L C -1.609 175.305 176.870 0.074 0.000 1.010 553 L CA -1.148 53.819 54.840 0.212 0.000 0.826 553 L CB 1.631 43.851 42.059 0.270 0.000 1.405 553 L HN 0.373 nan 8.230 nan 0.000 0.410 554 F N 1.514 121.675 119.950 0.351 0.000 2.411 554 F HA 0.517 5.044 4.527 0.000 0.000 0.352 554 F C -0.615 175.327 175.800 0.238 0.000 1.123 554 F CA -0.435 57.670 58.000 0.176 0.000 1.044 554 F CB 1.478 40.462 39.000 -0.026 0.000 1.135 554 F HN 0.490 nan 8.300 nan 0.000 0.461 555 Y N 4.421 124.819 120.300 0.162 0.000 2.335 555 Y HA 0.490 5.040 4.550 -0.000 0.000 0.339 555 Y C -1.481 174.341 175.900 -0.129 0.000 0.987 555 Y CA -2.213 55.913 58.100 0.042 0.000 1.140 555 Y CB 0.436 38.895 38.460 -0.001 0.000 1.173 555 Y HN 0.443 nan 8.280 nan 0.000 0.486 556 F N 9.354 129.036 119.950 -0.448 0.000 2.303 556 F HA 0.349 4.876 4.527 0.000 0.000 0.368 556 F C -1.664 173.579 175.800 -0.927 0.000 1.105 556 F CA -1.982 55.612 58.000 -0.677 0.000 1.153 556 F CB 1.102 39.560 39.000 -0.903 0.000 1.362 556 F HN 0.474 nan 8.300 nan 0.000 0.511 557 P HA -0.124 nan 4.420 nan 0.000 0.219 557 P C 0.042 177.172 177.300 -0.283 0.000 1.150 557 P CA 1.298 63.909 63.100 -0.815 0.000 0.814 557 P CB 0.349 31.669 31.700 -0.635 0.000 0.787 558 D N -1.414 118.869 120.400 -0.195 0.000 2.429 558 D HA 0.335 4.975 4.640 0.000 0.000 0.255 558 D C 0.603 176.922 176.300 0.033 0.000 1.257 558 D CA -0.570 53.419 54.000 -0.020 0.000 0.890 558 D CB 0.282 41.089 40.800 0.011 0.000 1.267 558 D HN -0.153 nan 8.370 nan 0.000 0.521 559 A N 1.941 124.754 122.820 -0.010 0.000 2.119 559 A HA 0.023 4.343 4.320 0.000 0.000 0.217 559 A C 1.381 179.045 177.584 0.133 0.000 1.153 559 A CA 0.621 52.621 52.037 -0.062 0.000 0.692 559 A CB -0.400 18.287 19.000 -0.522 0.000 0.799 559 A HN 0.448 nan 8.150 nan 0.000 0.458 560 F N 0.015 120.123 119.950 0.264 0.000 2.179 560 F HA -0.004 4.523 4.527 0.000 0.000 0.292 560 F C 2.145 178.084 175.800 0.231 0.000 1.089 560 F CA 1.775 60.023 58.000 0.414 0.000 1.295 560 F CB -0.447 38.780 39.000 0.378 0.000 1.041 560 F HN 0.228 nan 8.300 nan 0.000 0.487 561 N N -1.395 117.489 118.700 0.307 0.000 2.333 561 N HA -0.012 4.728 4.740 0.000 0.000 0.178 561 N C -0.075 175.477 175.510 0.070 0.000 1.018 561 N CA 0.872 54.011 53.050 0.148 0.000 0.882 561 N CB 0.139 38.700 38.487 0.123 0.000 0.984 561 N HN -0.065 nan 8.380 nan 0.000 0.434 562 S N 0.474 116.222 115.700 0.081 0.000 2.300 562 S HA 0.193 4.663 4.470 0.000 0.000 0.172 562 S C -2.175 172.479 174.600 0.089 0.000 1.484 562 S CA -0.836 57.393 58.200 0.048 0.000 1.265 562 S CB 1.198 64.404 63.200 0.011 0.000 1.313 562 S HN 0.165 nan 8.310 nan 0.000 0.387 563 P HA -0.076 nan 4.420 nan 0.000 0.225 563 P C 1.280 178.771 177.300 0.320 0.000 1.148 563 P CA 0.910 64.137 63.100 0.212 0.000 0.779 563 P CB -0.005 31.802 31.700 0.179 0.000 0.780 564 S N -2.449 113.371 115.700 0.199 0.000 2.593 564 S HA 0.078 4.548 4.470 0.000 0.000 0.217 564 S C 0.773 175.438 174.600 0.108 0.000 0.966 564 S CA -0.400 57.921 58.200 0.201 0.000 0.914 564 S CB -0.842 62.418 63.200 0.099 0.000 0.776 564 S HN -0.046 nan 8.310 nan 0.000 0.523 565 N N 2.413 121.128 118.700 0.025 0.000 2.422 565 N HA 0.512 5.252 4.740 0.000 0.000 0.266 565 N C -0.892 174.423 175.510 -0.324 0.000 1.007 565 N CA -0.400 52.538 53.050 -0.187 0.000 0.941 565 N CB 0.954 39.348 38.487 -0.155 0.000 1.115 565 N HN 0.625 nan 8.380 nan 0.000 0.492 566 Y N -1.316 118.671 120.300 -0.522 0.000 2.625 566 Y HA 0.740 5.290 4.550 -0.000 0.000 0.338 566 Y C -1.218 174.456 175.900 -0.377 0.000 1.123 566 Y CA -1.388 56.258 58.100 -0.756 0.000 1.046 566 Y CB 0.926 38.509 38.460 -1.461 0.000 1.299 566 Y HN 0.116 nan 8.280 nan 0.000 0.464 567 V N 3.389 123.254 119.914 -0.083 0.000 2.588 567 V HA 0.612 4.732 4.120 0.000 0.000 0.304 567 V C -0.929 175.327 176.094 0.271 0.000 1.042 567 V CA -0.970 61.347 62.300 0.029 0.000 0.877 567 V CB 1.622 33.454 31.823 0.016 0.000 0.996 567 V HN 0.938 nan 8.190 nan 0.000 0.425 568 R N 6.365 127.044 120.500 0.298 0.000 2.349 568 R HA 0.671 5.011 4.340 0.000 0.000 0.299 568 R C -0.931 175.505 176.300 0.226 0.000 1.027 568 R CA -0.764 55.529 56.100 0.322 0.000 0.958 568 R CB 1.065 31.566 30.300 0.335 0.000 1.047 568 R HN 0.595 nan 8.270 nan 0.000 0.468 569 R N 3.036 123.679 120.500 0.239 0.000 2.483 569 R HA 0.202 4.542 4.340 0.000 0.000 0.303 569 R C -0.691 175.782 176.300 0.290 0.000 0.987 569 R CA -0.700 55.545 56.100 0.241 0.000 0.881 569 R CB 2.351 32.778 30.300 0.212 0.000 1.177 569 R HN 0.664 nan 8.270 nan 0.000 0.451 570 Q N 2.322 122.275 119.800 0.255 0.000 2.227 570 Q HA 0.407 4.747 4.340 0.000 0.000 0.245 570 Q C 0.802 176.898 176.000 0.160 0.000 0.926 570 Q CA -0.636 55.258 55.803 0.150 0.000 0.895 570 Q CB 1.945 30.749 28.738 0.109 0.000 1.230 570 Q HN 0.570 nan 8.270 nan 0.000 0.450 571 I N -1.266 119.191 120.570 -0.188 0.000 3.194 571 I HA 0.314 4.484 4.170 0.000 0.000 0.283 571 I C -2.223 173.729 176.117 -0.275 0.000 1.199 571 I CA -2.234 58.658 61.300 -0.680 0.000 1.328 571 I CB -0.003 37.362 38.000 -1.058 0.000 1.404 571 I HN 0.336 nan 8.210 nan 0.000 0.618 572 P HA 0.041 nan 4.420 nan 0.000 0.268 572 P C 0.459 177.802 177.300 0.072 0.000 1.205 572 P CA -0.108 63.033 63.100 0.070 0.000 0.771 572 P CB 0.833 32.674 31.700 0.236 0.000 0.858 573 S N 2.038 117.768 115.700 0.050 0.000 2.399 573 S HA -0.230 4.240 4.470 0.000 0.000 0.231 573 S C 1.550 176.132 174.600 -0.030 0.000 1.022 573 S CA 1.255 59.462 58.200 0.012 0.000 0.983 573 S CB -0.993 62.215 63.200 0.014 0.000 0.803 573 S HN 0.685 nan 8.310 nan 0.000 0.480 574 E N 0.084 120.234 120.200 -0.084 0.000 2.338 574 E HA -0.167 4.183 4.350 0.000 0.000 0.197 574 E C 1.021 177.415 176.600 -0.344 0.000 1.007 574 E CA 0.888 57.140 56.400 -0.247 0.000 0.849 574 E CB -0.444 29.037 29.700 -0.366 0.000 0.774 574 E HN 0.746 nan 8.360 nan 0.000 0.506 575 Y N 0.808 121.092 120.300 -0.027 0.000 2.458 575 Y HA 0.244 4.794 4.550 0.000 0.000 0.256 575 Y C 1.497 177.365 175.900 -0.052 0.000 1.159 575 Y CA 0.073 58.163 58.100 -0.016 0.000 1.261 575 Y CB 0.565 39.054 38.460 0.050 0.000 1.119 575 Y HN 0.069 nan 8.280 nan 0.000 0.524 576 E N 0.359 120.583 120.200 0.040 0.000 2.158 576 E HA -0.019 4.332 4.350 0.000 0.000 0.191 576 E C -1.751 174.847 176.600 -0.003 0.000 0.982 576 E CA -0.239 56.159 56.400 -0.003 0.000 0.823 576 E CB -0.992 28.696 29.700 -0.020 0.000 0.766 576 E HN 0.230 nan 8.360 nan 0.000 0.468 577 P HA -0.069 nan 4.420 nan 0.000 0.264 577 P C -0.745 176.548 177.300 -0.012 0.000 1.183 577 P CA 0.742 63.834 63.100 -0.014 0.000 0.763 577 P CB 0.278 31.959 31.700 -0.032 0.000 0.807 578 D N -0.952 119.442 120.400 -0.010 0.000 2.811 578 D HA -0.201 4.439 4.640 0.000 0.000 0.231 578 D C -0.042 176.245 176.300 -0.023 0.000 1.157 578 D CA 1.375 55.365 54.000 -0.016 0.000 0.716 578 D CB -1.320 39.464 40.800 -0.027 0.000 1.077 578 D HN 0.500 nan 8.370 nan 0.000 0.428 579 A N -0.068 122.732 122.820 -0.033 0.000 2.401 579 A HA 0.811 5.131 4.320 0.000 0.000 0.310 579 A C 0.218 177.706 177.584 -0.160 0.000 1.075 579 A CA 0.311 52.312 52.037 -0.060 0.000 0.746 579 A CB 2.285 21.273 19.000 -0.019 0.000 1.277 579 A HN 0.428 nan 8.150 nan 0.000 0.425 580 S N 0.249 115.793 115.700 -0.261 0.000 2.672 580 S HA 0.600 5.070 4.470 0.000 0.000 0.271 580 S C -0.748 173.604 174.600 -0.414 0.000 1.171 580 S CA -0.311 57.508 58.200 -0.634 0.000 0.817 580 S CB 0.376 62.958 63.200 -1.031 0.000 1.150 580 S HN 1.035 nan 8.310 nan 0.000 0.478 581 E N 0.959 120.892 120.200 -0.445 0.000 2.197 581 E HA -0.124 4.226 4.350 0.000 0.000 0.184 581 E C -2.416 174.044 176.600 -0.234 0.000 1.439 581 E CA 0.616 56.754 56.400 -0.436 0.000 0.688 581 E CB -1.411 27.901 29.700 -0.648 0.000 1.090 581 E HN 0.542 nan 8.360 nan 0.000 0.341 582 P HA 0.023 nan 4.420 nan 0.000 0.271 582 P C -0.045 177.543 177.300 0.479 0.000 1.216 582 P CA -0.247 62.984 63.100 0.219 0.000 0.771 582 P CB 0.852 32.637 31.700 0.141 0.000 0.864 583 C N 4.984 124.583 119.300 0.499 0.000 2.369 583 C HA 0.615 5.075 4.460 0.000 0.000 0.358 583 C C 0.913 176.270 174.990 0.613 0.000 1.274 583 C CA -0.180 59.175 59.018 0.562 0.000 1.935 583 C CB -1.015 27.098 27.740 0.623 0.000 2.431 583 C HN 0.493 nan 8.230 nan 0.000 0.545 584 I N 0.971 121.827 120.570 0.477 0.000 2.647 584 I HA 0.875 5.045 4.170 0.000 0.000 0.295 584 I C -0.799 175.533 176.117 0.359 0.000 1.078 584 I CA -0.658 60.943 61.300 0.501 0.000 1.048 584 I CB 1.751 39.993 38.000 0.402 0.000 1.239 584 I HN 0.376 nan 8.210 nan 0.000 0.421 585 K N 3.329 124.020 120.400 0.486 0.000 2.536 585 K HA 0.549 4.869 4.320 0.000 0.000 0.269 585 K C -2.120 174.776 176.600 0.493 0.000 0.965 585 K CA -0.675 55.805 56.287 0.320 0.000 0.860 585 K CB 2.356 34.920 32.500 0.107 0.000 1.423 585 K HN 0.613 nan 8.250 nan 0.000 0.438 586 Y N 1.830 122.168 120.300 0.063 0.000 2.338 586 Y HA 0.521 5.071 4.550 -0.000 0.000 0.333 586 Y C -1.792 174.052 175.900 -0.093 0.000 0.968 586 Y CA -0.496 57.654 58.100 0.084 0.000 1.123 586 Y CB 0.986 39.457 38.460 0.018 0.000 1.165 586 Y HN 0.552 nan 8.280 nan 0.000 0.452 587 Y N 4.197 124.482 120.300 -0.025 0.000 2.386 587 Y HA 0.240 4.790 4.550 0.000 0.000 0.334 587 Y C -0.345 175.445 175.900 -0.183 0.000 1.002 587 Y CA -1.454 56.654 58.100 0.013 0.000 1.068 587 Y CB 1.550 40.139 38.460 0.215 0.000 1.203 587 Y HN 0.650 nan 8.280 nan 0.000 0.443 588 D N 3.165 123.549 120.400 -0.027 0.000 2.704 588 D HA -0.202 4.438 4.640 0.000 0.000 0.232 588 D C 1.247 177.428 176.300 -0.199 0.000 1.183 588 D CA 1.921 55.890 54.000 -0.053 0.000 0.647 588 D CB -0.829 40.001 40.800 0.050 0.000 1.013 588 D HN 1.162 nan 8.370 nan 0.000 0.415 589 G N -1.994 106.520 108.800 -0.477 0.000 2.179 589 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 589 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 589 G C 0.344 174.978 174.900 -0.444 0.000 0.977 589 G CA 0.339 45.218 45.100 -0.367 0.000 0.641 589 G HN 0.620 nan 8.290 nan 0.000 0.533 590 V N 0.993 120.560 119.914 -0.578 0.000 2.448 590 V HA 0.678 4.799 4.120 0.000 0.000 0.295 590 V C 0.170 176.028 176.094 -0.393 0.000 1.025 590 V CA -0.864 61.166 62.300 -0.449 0.000 0.859 590 V CB 1.754 33.284 31.823 -0.488 0.000 0.988 590 V HN 0.367 nan 8.190 nan 0.000 0.431 591 L N 6.325 127.455 121.223 -0.156 0.000 2.260 591 L HA 0.522 4.862 4.340 0.000 0.000 0.289 591 L C -0.961 175.959 176.870 0.083 0.000 1.057 591 L CA 0.256 55.185 54.840 0.148 0.000 0.811 591 L CB 0.336 42.520 42.059 0.208 0.000 1.184 591 L HN 0.536 nan 8.230 nan 0.000 0.429 592 Y N 5.376 125.976 120.300 0.499 0.000 2.342 592 Y HA 0.628 5.178 4.550 -0.000 0.000 0.334 592 Y C -0.276 175.980 175.900 0.592 0.000 1.067 592 Y CA -0.526 57.891 58.100 0.529 0.000 1.128 592 Y CB 1.651 40.433 38.460 0.538 0.000 1.200 592 Y HN 0.483 nan 8.280 nan 0.000 0.464 593 L N 4.839 126.417 121.223 0.592 0.000 2.436 593 L HA 0.702 5.042 4.340 0.000 0.000 0.268 593 L C -1.704 175.357 176.870 0.318 0.000 0.974 593 L CA -0.482 54.635 54.840 0.461 0.000 0.826 593 L CB 1.426 43.663 42.059 0.297 0.000 1.291 593 L HN 0.626 nan 8.230 nan 0.000 0.406 594 I N 3.583 124.347 120.570 0.325 0.000 2.466 594 I HA 0.348 4.518 4.170 0.000 0.000 0.289 594 I C 0.124 176.387 176.117 0.244 0.000 1.026 594 I CA -0.546 60.906 61.300 0.253 0.000 1.078 594 I CB 2.328 40.454 38.000 0.210 0.000 1.249 594 I HN 0.610 nan 8.210 nan 0.000 0.429 595 T N 2.763 117.429 114.554 0.185 0.000 2.874 595 T HA 0.381 4.731 4.350 0.000 0.000 0.281 595 T C 0.015 174.758 174.700 0.072 0.000 0.994 595 T CA -0.773 61.390 62.100 0.105 0.000 1.015 595 T CB 1.919 70.831 68.868 0.073 0.000 1.028 595 T HN 0.576 nan 8.240 nan 0.000 0.523 596 R N 0.532 121.034 120.500 0.003 0.000 2.349 596 R HA 0.490 4.830 4.340 0.000 0.000 0.299 596 R C 0.379 176.658 176.300 -0.035 0.000 1.027 596 R CA -0.484 55.600 56.100 -0.026 0.000 0.958 596 R CB 0.591 30.860 30.300 -0.051 0.000 1.047 596 R HN 0.943 nan 8.270 nan 0.000 0.468 597 G N 0.784 109.561 108.800 -0.038 0.000 2.444 597 G HA2 0.136 4.096 3.960 0.000 0.000 0.268 597 G HA3 0.136 4.096 3.960 0.000 0.000 0.268 597 G C 0.828 175.738 174.900 0.017 0.000 1.203 597 G CA -0.363 44.723 45.100 -0.023 0.000 0.835 597 G HN 0.745 nan 8.290 nan 0.000 0.543 598 T N -1.387 113.177 114.554 0.017 0.000 3.040 598 T HA 0.303 4.653 4.350 0.000 0.000 0.250 598 T C 0.875 175.627 174.700 0.085 0.000 1.058 598 T CA -0.041 62.113 62.100 0.090 0.000 0.988 598 T CB 0.216 69.112 68.868 0.047 0.000 0.993 598 T HN 0.416 nan 8.240 nan 0.000 0.519 599 R N -0.408 120.043 120.500 -0.081 0.000 2.548 599 R HA 0.510 4.850 4.340 0.000 0.000 0.280 599 R C 1.003 176.966 176.300 -0.563 0.000 1.061 599 R CA -0.562 55.400 56.100 -0.229 0.000 0.915 599 R CB 1.624 31.848 30.300 -0.128 0.000 1.210 599 R HN 0.153 nan 8.270 nan 0.000 0.442 600 G N 1.158 109.341 108.800 -1.028 0.000 2.509 600 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 600 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 600 G C 0.605 175.196 174.900 -0.516 0.000 1.124 600 G CA 0.678 44.992 45.100 -1.311 0.000 0.776 600 G HN 0.706 nan 8.290 nan 0.000 0.547 601 D N -0.829 119.373 120.400 -0.329 0.000 2.368 601 D HA 0.106 4.746 4.640 0.000 0.000 0.218 601 D C 0.788 177.005 176.300 -0.139 0.000 1.112 601 D CA -0.192 53.698 54.000 -0.184 0.000 0.834 601 D CB 0.409 41.131 40.800 -0.129 0.000 0.953 601 D HN 0.105 nan 8.370 nan 0.000 0.505 602 R N 0.065 120.470 120.500 -0.157 0.000 2.837 602 R HA 0.347 4.687 4.340 0.000 0.000 0.271 602 R C -0.599 175.641 176.300 -0.100 0.000 0.993 602 R CA -1.236 54.800 56.100 -0.108 0.000 0.931 602 R CB 1.537 31.784 30.300 -0.090 0.000 1.206 602 R HN -0.032 nan 8.270 nan 0.000 0.474 603 L N 1.550 122.730 121.223 -0.072 0.000 2.559 603 L HA 0.065 4.405 4.340 0.000 0.000 0.282 603 L C 1.227 178.077 176.870 -0.034 0.000 1.232 603 L CA 1.052 55.862 54.840 -0.051 0.000 0.885 603 L CB 0.003 42.034 42.059 -0.047 0.000 1.131 603 L HN 0.883 nan 8.230 nan 0.000 0.498 604 G N 1.788 110.579 108.800 -0.015 0.000 3.039 604 G HA2 0.362 4.322 3.960 0.000 0.000 0.159 604 G HA3 0.362 4.322 3.960 0.000 0.000 0.159 604 G C -0.421 174.514 174.900 0.058 0.000 1.284 604 G CA -0.478 44.617 45.100 -0.009 0.000 0.996 604 G HN 0.558 nan 8.290 nan 0.000 0.592 605 S N 0.078 115.810 115.700 0.053 0.000 2.599 605 S HA 0.328 4.798 4.470 0.000 0.000 0.303 605 S C 0.499 175.282 174.600 0.304 0.000 1.267 605 S CA 0.451 58.742 58.200 0.153 0.000 1.055 605 S CB 0.194 63.440 63.200 0.077 0.000 0.790 605 S HN 0.976 nan 8.310 nan 0.000 0.500 606 S N 2.933 118.753 115.700 0.200 0.000 2.634 606 S HA 0.762 5.232 4.470 0.000 0.000 0.296 606 S C -0.918 173.543 174.600 -0.231 0.000 1.104 606 S CA -1.035 57.108 58.200 -0.095 0.000 0.920 606 S CB 1.339 64.425 63.200 -0.190 0.000 1.111 606 S HN 0.619 nan 8.310 nan 0.000 0.493 607 L N 2.035 122.841 121.223 -0.696 0.000 2.365 607 L HA 0.624 4.964 4.340 0.000 0.000 0.273 607 L C -1.353 175.110 176.870 -0.679 0.000 1.000 607 L CA -0.488 54.045 54.840 -0.512 0.000 0.819 607 L CB 1.448 43.124 42.059 -0.638 0.000 1.284 607 L HN 0.887 nan 8.230 nan 0.000 0.418 608 H N 3.915 123.035 119.070 0.083 0.000 2.806 608 H HA 0.495 5.051 4.556 0.000 0.000 0.367 608 H C -1.104 174.519 175.328 0.493 0.000 1.136 608 H CA -0.873 55.299 56.048 0.208 0.000 1.178 608 H CB 2.299 31.882 29.762 -0.298 0.000 1.718 608 H HN 0.587 nan 8.280 nan 0.000 0.540 609 R N 0.331 121.151 120.500 0.533 0.000 2.750 609 R HA 0.729 5.069 4.340 0.000 0.000 0.281 609 R C -0.984 175.353 176.300 0.061 0.000 0.972 609 R CA -1.029 55.144 56.100 0.123 0.000 0.912 609 R CB 2.156 32.215 30.300 -0.401 0.000 1.187 609 R HN 0.436 nan 8.270 nan 0.000 0.464 610 S N 0.231 115.808 115.700 -0.204 0.000 2.540 610 S HA 0.403 4.873 4.470 0.000 0.000 0.275 610 S C -0.345 174.063 174.600 -0.320 0.000 1.123 610 S CA -0.914 57.045 58.200 -0.402 0.000 0.907 610 S CB 1.600 64.261 63.200 -0.899 0.000 1.081 610 S HN 0.783 nan 8.310 nan 0.000 0.476 611 R N 1.237 121.573 120.500 -0.274 0.000 2.393 611 R HA 0.205 4.545 4.340 0.000 0.000 0.244 611 R C -0.594 175.615 176.300 -0.152 0.000 0.920 611 R CA 0.362 56.349 56.100 -0.189 0.000 1.076 611 R CB 0.158 30.361 30.300 -0.161 0.000 1.119 611 R HN 0.666 nan 8.270 nan 0.000 0.524 612 D N -0.620 119.650 120.400 -0.216 0.000 2.837 612 D HA 0.093 4.733 4.640 0.000 0.000 0.340 612 D C -0.000 176.144 176.300 -0.260 0.000 1.451 612 D CA -0.538 53.347 54.000 -0.192 0.000 0.798 612 D CB -0.451 40.248 40.800 -0.169 0.000 1.169 612 D HN 0.053 nan 8.370 nan 0.000 0.449 613 I N 0.566 120.968 120.570 -0.280 0.000 6.822 613 I HA -0.258 3.912 4.170 0.000 0.000 0.126 613 I C 1.257 177.161 176.117 -0.356 0.000 1.756 613 I CA 0.827 61.925 61.300 -0.337 0.000 2.250 613 I CB -1.591 36.072 38.000 -0.561 0.000 3.407 613 I HN 0.568 nan 8.210 nan 0.000 0.229 614 G N 0.637 109.047 108.800 -0.650 0.000 2.157 614 G HA2 -0.272 3.688 3.960 0.000 0.000 0.239 614 G HA3 -0.272 3.688 3.960 0.000 0.000 0.239 614 G C 0.497 175.061 174.900 -0.560 0.000 0.982 614 G CA 0.447 45.035 45.100 -0.854 0.000 0.650 614 G HN 0.584 nan 8.290 nan 0.000 0.527 615 Q N -0.134 119.405 119.800 -0.434 0.000 2.096 615 Q HA 0.149 4.489 4.340 0.000 0.000 0.197 615 Q C 1.497 177.337 176.000 -0.267 0.000 0.964 615 Q CA 1.556 57.220 55.803 -0.232 0.000 0.838 615 Q CB 0.135 28.786 28.738 -0.144 0.000 0.906 615 Q HN 0.761 nan 8.270 nan 0.000 0.444 616 T N -2.759 111.548 114.554 -0.412 0.000 2.908 616 T HA 0.574 4.924 4.350 0.000 0.000 0.290 616 T C -1.322 173.101 174.700 -0.463 0.000 1.034 616 T CA -0.830 61.097 62.100 -0.289 0.000 1.010 616 T CB 1.314 70.094 68.868 -0.146 0.000 1.068 616 T HN 0.189 nan 8.240 nan 0.000 0.481 617 W N 0.189 121.487 121.300 -0.004 0.000 3.032 617 W HA 0.593 5.253 4.660 0.000 0.000 0.335 617 W C -0.283 176.241 176.519 0.009 0.000 1.154 617 W CA -0.778 56.572 57.345 0.009 0.000 1.204 617 W CB 1.984 31.474 29.460 0.049 0.000 1.416 617 W HN 0.921 nan 8.180 nan 0.000 0.521 618 E N 1.565 121.919 120.200 0.256 0.000 2.179 618 E HA 0.696 5.046 4.350 0.000 0.000 0.275 618 E C -0.831 175.973 176.600 0.340 0.000 0.945 618 E CA -0.300 56.200 56.400 0.166 0.000 0.792 618 E CB 1.325 30.940 29.700 -0.142 0.000 1.125 618 E HN 0.311 nan 8.360 nan 0.000 0.397 619 S N 3.181 119.062 115.700 0.302 0.000 2.599 619 S HA 0.657 5.127 4.470 0.000 0.000 0.287 619 S C -1.344 173.205 174.600 -0.085 0.000 1.105 619 S CA -0.806 57.387 58.200 -0.011 0.000 0.899 619 S CB 1.377 64.406 63.200 -0.286 0.000 1.100 619 S HN 0.571 nan 8.310 nan 0.000 0.482 620 L N 1.462 122.379 121.223 -0.510 0.000 2.513 620 L HA 0.675 5.015 4.340 0.000 0.000 0.261 620 L C -1.313 175.214 176.870 -0.571 0.000 0.945 620 L CA -0.657 53.868 54.840 -0.525 0.000 0.848 620 L CB 1.920 43.436 42.059 -0.904 0.000 1.334 620 L HN 0.652 nan 8.230 nan 0.000 0.407 621 R N 2.973 123.283 120.500 -0.317 0.000 2.294 621 R HA 0.521 4.861 4.340 0.000 0.000 0.319 621 R C -1.247 174.875 176.300 -0.296 0.000 0.984 621 R CA -0.284 55.699 56.100 -0.195 0.000 0.861 621 R CB 0.846 31.150 30.300 0.007 0.000 1.104 621 R HN 0.472 nan 8.270 nan 0.000 0.451 622 F N 5.968 125.852 119.950 -0.110 0.000 2.529 622 F HA 0.202 4.729 4.527 -0.000 0.000 0.365 622 F C -1.311 174.443 175.800 -0.075 0.000 1.102 622 F CA -1.226 56.734 58.000 -0.066 0.000 1.271 622 F CB 0.419 39.443 39.000 0.040 0.000 1.120 622 F HN 0.443 nan 8.300 nan 0.000 0.579 623 P HA 0.036 nan 4.420 nan 0.000 0.272 623 P C -0.651 176.594 177.300 -0.092 0.000 1.223 623 P CA 0.121 63.111 63.100 -0.183 0.000 0.784 623 P CB 0.303 31.799 31.700 -0.341 0.000 0.923 624 H N -0.067 119.018 119.070 0.026 0.000 2.903 624 H HA -0.175 4.381 4.556 0.000 0.000 0.285 624 H C -0.318 174.964 175.328 -0.077 0.000 1.231 624 H CA 0.790 56.827 56.048 -0.018 0.000 1.135 624 H CB -2.655 27.109 29.762 0.004 0.000 1.328 624 H HN 0.743 nan 8.280 nan 0.000 0.388 625 N N -1.495 117.201 118.700 -0.007 0.000 2.708 625 N HA -0.165 4.575 4.740 0.000 0.000 0.255 625 N C -0.132 175.315 175.510 -0.105 0.000 1.046 625 N CA 0.352 53.361 53.050 -0.068 0.000 0.715 625 N CB -0.581 37.831 38.487 -0.125 0.000 0.895 625 N HN 0.118 nan 8.380 nan 0.000 0.545 626 V N 2.042 121.839 119.914 -0.195 0.000 2.557 626 V HA 0.014 4.134 4.120 0.000 0.000 0.301 626 V C 0.872 176.746 176.094 -0.368 0.000 1.026 626 V CA 0.551 62.540 62.300 -0.519 0.000 1.137 626 V CB 0.162 31.619 31.823 -0.610 0.000 0.917 626 V HN 0.449 nan 8.190 nan 0.000 0.484 627 H N 2.784 121.464 119.070 -0.649 0.000 3.037 627 H HA 0.414 4.970 4.556 0.000 0.000 0.355 627 H C 0.250 175.373 175.328 -0.343 0.000 1.263 627 H CA -0.447 55.328 56.048 -0.455 0.000 1.129 627 H CB 0.976 30.426 29.762 -0.520 0.000 1.861 627 H HN 0.762 nan 8.280 nan 0.000 0.546 628 H N -1.390 117.596 119.070 -0.140 0.000 3.641 628 H HA -0.166 4.390 4.556 0.000 0.000 0.193 628 H C -0.298 174.983 175.328 -0.078 0.000 1.013 628 H CA 1.322 57.310 56.048 -0.100 0.000 1.212 628 H CB -0.733 28.951 29.762 -0.130 0.000 1.089 628 H HN 0.833 nan 8.280 nan 0.000 0.339 629 T N 0.873 115.417 114.554 -0.018 0.000 2.893 629 T HA 0.427 4.777 4.350 0.000 0.000 0.291 629 T C 0.308 175.042 174.700 0.058 0.000 1.028 629 T CA -0.000 62.128 62.100 0.047 0.000 0.995 629 T CB 1.555 70.440 68.868 0.028 0.000 1.051 629 T HN 0.319 nan 8.240 nan 0.000 0.470 630 T N 2.314 116.966 114.554 0.163 0.000 2.828 630 T HA 0.557 4.907 4.350 0.000 0.000 0.290 630 T C 0.280 175.118 174.700 0.230 0.000 1.019 630 T CA -0.768 61.456 62.100 0.206 0.000 1.031 630 T CB 0.382 69.451 68.868 0.336 0.000 1.001 630 T HN 0.501 nan 8.240 nan 0.000 0.531 631 L N 2.062 123.444 121.223 0.265 0.000 2.637 631 L HA 0.335 4.675 4.340 0.000 0.000 0.241 631 L C -2.277 174.867 176.870 0.458 0.000 1.398 631 L CA -2.119 52.891 54.840 0.284 0.000 0.895 631 L CB 0.970 43.127 42.059 0.163 0.000 1.183 631 L HN 0.494 nan 8.230 nan 0.000 0.497 632 P HA 0.190 nan 4.420 nan 0.000 0.269 632 P C -0.837 176.800 177.300 0.562 0.000 1.215 632 P CA 0.240 63.637 63.100 0.495 0.000 0.780 632 P CB 0.799 32.752 31.700 0.422 0.000 0.898 633 F N -1.190 118.960 119.950 0.335 0.000 2.713 633 F HA 0.817 5.344 4.527 0.000 0.000 0.311 633 F C -1.819 174.176 175.800 0.324 0.000 1.141 633 F CA -1.333 56.855 58.000 0.313 0.000 0.939 633 F CB 0.789 39.933 39.000 0.241 0.000 1.325 633 F HN 0.511 nan 8.300 nan 0.000 0.453 634 A N 1.482 124.513 122.820 0.351 0.000 2.485 634 A HA 0.781 5.101 4.320 0.000 0.000 0.292 634 A C -1.711 175.969 177.584 0.160 0.000 1.147 634 A CA -1.105 51.089 52.037 0.262 0.000 0.750 634 A CB 2.027 21.192 19.000 0.275 0.000 1.331 634 A HN 0.934 nan 8.150 nan 0.000 0.419 635 K N 0.715 120.951 120.400 -0.273 0.000 2.274 635 K HA 0.636 4.956 4.320 0.000 0.000 0.262 635 K C -1.820 174.581 176.600 -0.332 0.000 0.961 635 K CA -0.333 55.646 56.287 -0.513 0.000 0.833 635 K CB 1.419 33.251 32.500 -1.113 0.000 1.102 635 K HN 0.416 nan 8.250 nan 0.000 0.436 636 V N 4.595 124.420 119.914 -0.148 0.000 2.443 636 V HA 0.439 4.559 4.120 0.000 0.000 0.293 636 V C 0.760 176.817 176.094 -0.061 0.000 1.021 636 V CA 0.015 62.278 62.300 -0.061 0.000 0.848 636 V CB 0.588 32.412 31.823 0.002 0.000 0.998 636 V HN 1.175 nan 8.190 nan 0.000 0.424 637 G N 4.775 113.547 108.800 -0.047 0.000 2.622 637 G HA2 -0.288 3.672 3.960 0.000 0.000 0.307 637 G HA3 -0.288 3.672 3.960 0.000 0.000 0.307 637 G C 0.461 175.331 174.900 -0.049 0.000 1.226 637 G CA 0.736 45.815 45.100 -0.035 0.000 0.997 637 G HN 0.629 nan 8.290 nan 0.000 0.551 638 D N 2.035 122.413 120.400 -0.037 0.000 2.349 638 D HA 0.184 4.824 4.640 0.000 0.000 0.224 638 D C 0.154 176.425 176.300 -0.048 0.000 1.029 638 D CA 0.749 54.731 54.000 -0.030 0.000 0.879 638 D CB 0.031 40.822 40.800 -0.015 0.000 0.906 638 D HN 0.334 nan 8.370 nan 0.000 0.528 639 D N 0.376 120.734 120.400 -0.070 0.000 2.192 639 D HA 0.221 4.861 4.640 0.000 0.000 0.246 639 D C -0.037 176.200 176.300 -0.106 0.000 1.042 639 D CA -0.626 53.326 54.000 -0.080 0.000 0.847 639 D CB 1.903 42.664 40.800 -0.065 0.000 1.186 639 D HN -0.195 nan 8.370 nan 0.000 0.461 640 L N 2.149 123.301 121.223 -0.118 0.000 2.360 640 L HA 0.338 4.678 4.340 0.000 0.000 0.276 640 L C 0.108 176.970 176.870 -0.013 0.000 1.121 640 L CA -0.002 54.791 54.840 -0.077 0.000 0.845 640 L CB 0.295 42.252 42.059 -0.170 0.000 1.143 640 L HN 0.304 nan 8.230 nan 0.000 0.452 641 I N 5.598 126.231 120.570 0.105 0.000 2.354 641 I HA 0.392 4.562 4.170 0.000 0.000 0.286 641 I C 0.067 176.311 176.117 0.212 0.000 1.007 641 I CA -0.339 61.026 61.300 0.107 0.000 1.167 641 I CB 0.971 39.070 38.000 0.165 0.000 1.320 641 I HN 0.587 nan 8.210 nan 0.000 0.458 642 M N 4.295 123.934 119.600 0.066 0.000 2.535 642 M HA 0.671 5.151 4.480 0.000 0.000 0.314 642 M C -1.820 174.490 176.300 0.017 0.000 1.153 642 M CA -0.453 54.968 55.300 0.202 0.000 0.924 642 M CB 2.438 35.145 32.600 0.178 0.000 1.710 642 M HN 0.188 nan 8.290 nan 0.000 0.451 643 F N 0.167 120.122 119.950 0.009 0.000 2.546 643 F HA 0.900 5.427 4.527 0.000 0.000 0.320 643 F C 0.368 176.011 175.800 -0.262 0.000 1.076 643 F CA -0.342 57.459 58.000 -0.331 0.000 0.928 643 F CB 2.667 40.912 39.000 -1.259 0.000 1.189 643 F HN 0.860 nan 8.300 nan 0.000 0.465 644 G N 0.235 109.050 108.800 0.025 0.000 2.690 644 G HA2 0.598 4.558 3.960 0.000 0.000 0.293 644 G HA3 0.598 4.558 3.960 0.000 0.000 0.293 644 G C -1.878 173.180 174.900 0.263 0.000 1.399 644 G CA -0.852 44.370 45.100 0.203 0.000 0.890 644 G HN 0.540 nan 8.290 nan 0.000 0.485 645 S N 0.164 116.090 115.700 0.378 0.000 2.557 645 S HA 0.424 4.894 4.470 0.000 0.000 0.291 645 S C -0.160 174.673 174.600 0.388 0.000 1.116 645 S CA -0.876 57.518 58.200 0.322 0.000 0.992 645 S CB 1.696 65.065 63.200 0.283 0.000 1.028 645 S HN 0.907 nan 8.310 nan 0.000 0.484 646 E N 2.701 123.161 120.200 0.433 0.000 2.418 646 E HA 0.178 4.528 4.350 0.000 0.000 0.261 646 E C 0.265 176.961 176.600 0.161 0.000 1.070 646 E CA -0.559 56.027 56.400 0.310 0.000 0.931 646 E CB 0.567 30.477 29.700 0.351 0.000 0.954 646 E HN 0.333 nan 8.360 nan 0.000 0.439 647 R N 1.105 121.653 120.500 0.081 0.000 2.173 647 R HA 0.230 4.570 4.340 0.000 0.000 0.208 647 R C 0.190 176.402 176.300 -0.147 0.000 1.035 647 R CA 0.843 56.944 56.100 0.002 0.000 1.004 647 R CB -0.060 30.219 30.300 -0.035 0.000 0.917 647 R HN 0.623 nan 8.270 nan 0.000 0.462 648 A N 0.521 123.242 122.820 -0.166 0.000 2.587 648 A HA 0.369 4.689 4.320 0.000 0.000 0.293 648 A C -1.010 176.561 177.584 -0.020 0.000 1.087 648 A CA -0.695 51.196 52.037 -0.244 0.000 0.692 648 A CB 1.447 20.075 19.000 -0.620 0.000 1.291 648 A HN 0.097 nan 8.150 nan 0.000 0.407 649 E N 0.369 120.603 120.200 0.055 0.000 2.442 649 E HA 0.114 4.464 4.350 0.000 0.000 0.262 649 E C -0.010 176.657 176.600 0.113 0.000 1.004 649 E CA 0.931 57.400 56.400 0.116 0.000 0.928 649 E CB -0.095 29.700 29.700 0.159 0.000 0.937 649 E HN 0.671 nan 8.360 nan 0.000 0.446 650 N N 2.267 121.054 118.700 0.146 0.000 2.829 650 N HA -0.199 4.541 4.740 0.000 0.000 0.250 650 N C -0.174 175.417 175.510 0.134 0.000 1.090 650 N CA 0.788 53.924 53.050 0.143 0.000 0.781 650 N CB -0.454 38.102 38.487 0.115 0.000 1.124 650 N HN 0.582 nan 8.380 nan 0.000 0.559 651 E N -0.851 119.434 120.200 0.143 0.000 2.460 651 E HA -0.020 4.330 4.350 0.000 0.000 0.200 651 E C 1.255 177.898 176.600 0.072 0.000 1.011 651 E CA -0.274 56.198 56.400 0.120 0.000 0.912 651 E CB 0.080 29.841 29.700 0.103 0.000 0.953 651 E HN 0.433 nan 8.360 nan 0.000 0.494 652 W N 2.679 123.922 121.300 -0.094 0.000 2.338 652 W HA -0.142 4.518 4.660 -0.000 0.000 0.304 652 W C 0.148 176.561 176.519 -0.178 0.000 1.212 652 W CA 1.264 58.466 57.345 -0.239 0.000 1.264 652 W CB 0.179 29.509 29.460 -0.216 0.000 1.142 652 W HN -0.048 nan 8.180 nan 0.000 0.512 653 E N 0.147 120.423 120.200 0.127 0.000 2.390 653 E HA 0.284 4.634 4.350 0.000 0.000 0.261 653 E C 0.194 176.813 176.600 0.031 0.000 1.076 653 E CA 0.048 56.479 56.400 0.053 0.000 0.905 653 E CB 0.663 30.387 29.700 0.040 0.000 0.984 653 E HN 0.077 nan 8.360 nan 0.000 0.427 654 A N 1.737 124.547 122.820 -0.016 0.000 2.546 654 A HA 0.378 4.698 4.320 0.000 0.000 0.243 654 A C 1.380 178.930 177.584 -0.057 0.000 1.063 654 A CA 0.698 52.708 52.037 -0.044 0.000 0.757 654 A CB -0.803 18.207 19.000 0.017 0.000 0.991 654 A HN 0.877 nan 8.150 nan 0.000 0.503 655 G N 0.946 109.683 108.800 -0.104 0.000 2.205 655 G HA2 0.101 4.061 3.960 0.000 0.000 0.261 655 G HA3 0.101 4.061 3.960 0.000 0.000 0.261 655 G C 0.629 175.499 174.900 -0.049 0.000 0.980 655 G CA 0.532 45.585 45.100 -0.078 0.000 0.632 655 G HN 2.286 nan 8.290 nan 0.000 0.533 656 A N 1.871 124.678 122.820 -0.021 0.000 2.454 656 A HA 0.627 4.947 4.320 0.000 0.000 0.260 656 A C -0.950 176.652 177.584 0.031 0.000 1.106 656 A CA -0.409 51.644 52.037 0.026 0.000 0.780 656 A CB 0.246 19.289 19.000 0.073 0.000 1.044 656 A HN 0.313 nan 8.150 nan 0.000 0.498 657 P HA 0.157 nan 4.420 nan 0.000 0.272 657 P C -0.734 176.614 177.300 0.080 0.000 1.223 657 P CA -0.366 62.761 63.100 0.045 0.000 0.784 657 P CB 0.522 32.246 31.700 0.041 0.000 0.923 658 D N 1.016 121.475 120.400 0.099 0.000 2.472 658 D HA 0.075 4.715 4.640 0.000 0.000 0.237 658 D C -0.021 176.315 176.300 0.060 0.000 1.141 658 D CA 1.073 55.132 54.000 0.098 0.000 0.875 658 D CB 0.049 40.904 40.800 0.092 0.000 1.192 658 D HN 0.284 nan 8.370 nan 0.000 0.450 659 D N 1.593 122.007 120.400 0.023 0.000 2.363 659 D HA 0.171 4.811 4.640 0.000 0.000 0.258 659 D C -0.499 175.805 176.300 0.006 0.000 1.259 659 D CA -0.577 53.449 54.000 0.043 0.000 0.921 659 D CB 0.317 41.154 40.800 0.062 0.000 1.201 659 D HN 0.049 nan 8.370 nan 0.000 0.524 660 R N 1.173 121.690 120.500 0.027 0.000 2.944 660 R HA 0.420 4.760 4.340 0.000 0.000 0.233 660 R C 0.265 176.691 176.300 0.209 0.000 1.346 660 R CA -0.742 55.355 56.100 -0.005 0.000 1.082 660 R CB -0.026 30.091 30.300 -0.304 0.000 1.434 660 R HN 0.499 nan 8.270 nan 0.000 0.510 661 Y N -1.262 119.229 120.300 0.318 0.000 4.668 661 Y HA -0.353 4.198 4.550 0.000 0.000 0.234 661 Y C 0.079 176.065 175.900 0.145 0.000 1.056 661 Y CA 1.372 59.585 58.100 0.189 0.000 2.025 661 Y CB -1.456 37.078 38.460 0.125 0.000 1.613 661 Y HN 0.507 nan 8.280 nan 0.000 0.653 662 K N -0.437 120.140 120.400 0.294 0.000 2.525 662 K HA 0.880 5.200 4.320 0.000 0.000 0.254 662 K C -0.480 176.215 176.600 0.159 0.000 0.934 662 K CA -0.532 55.869 56.287 0.189 0.000 0.802 662 K CB 2.063 34.670 32.500 0.179 0.000 1.295 662 K HN 0.127 nan 8.250 nan 0.000 0.433 663 A N 1.880 124.731 122.820 0.052 0.000 2.531 663 A HA 0.398 4.718 4.320 0.000 0.000 0.236 663 A C 0.073 177.741 177.584 0.140 0.000 1.062 663 A CA 0.636 52.688 52.037 0.025 0.000 0.760 663 A CB -0.316 18.725 19.000 0.068 0.000 0.995 663 A HN 1.004 nan 8.150 nan 0.000 0.501 664 S N 0.769 116.542 115.700 0.122 0.000 2.672 664 S HA 0.638 5.108 4.470 0.000 0.000 0.271 664 S C -1.212 173.365 174.600 -0.038 0.000 1.171 664 S CA -0.630 57.673 58.200 0.172 0.000 0.817 664 S CB 0.669 64.014 63.200 0.241 0.000 1.150 664 S HN 0.571 nan 8.310 nan 0.000 0.478 665 Y N 1.896 122.251 120.300 0.093 0.000 2.915 665 Y HA 0.431 4.981 4.550 0.000 0.000 0.350 665 Y C -2.438 173.482 175.900 0.034 0.000 1.061 665 Y CA -2.020 56.104 58.100 0.040 0.000 1.179 665 Y CB 1.128 39.601 38.460 0.023 0.000 1.180 665 Y HN 0.428 nan 8.280 nan 0.000 0.605 666 P HA 0.015 nan 4.420 nan 0.000 0.265 666 P C -0.434 176.889 177.300 0.038 0.000 1.193 666 P CA 0.092 63.245 63.100 0.090 0.000 0.765 666 P CB 0.914 32.659 31.700 0.076 0.000 0.823 667 R N 1.326 121.809 120.500 -0.028 0.000 2.390 667 R HA 0.436 4.776 4.340 0.000 0.000 0.291 667 R C 0.377 176.424 176.300 -0.423 0.000 1.070 667 R CA -0.179 55.735 56.100 -0.309 0.000 1.014 667 R CB 0.417 30.384 30.300 -0.556 0.000 1.007 667 R HN 0.391 nan 8.270 nan 0.000 0.466 668 T N 3.408 117.669 114.554 -0.488 0.000 2.823 668 T HA 0.513 4.863 4.350 0.000 0.000 0.279 668 T C -0.863 173.466 174.700 -0.620 0.000 0.998 668 T CA -0.320 61.558 62.100 -0.370 0.000 0.994 668 T CB 0.478 69.248 68.868 -0.164 0.000 0.960 668 T HN 0.234 nan 8.240 nan 0.000 0.448 669 F N 2.175 121.944 119.950 -0.301 0.000 2.593 669 F HA 0.683 5.210 4.527 0.000 0.000 0.320 669 F C -0.366 175.363 175.800 -0.119 0.000 1.060 669 F CA -1.156 56.668 58.000 -0.293 0.000 0.940 669 F CB 1.554 40.197 39.000 -0.595 0.000 1.268 669 F HN 0.599 nan 8.300 nan 0.000 0.475 670 Y N 0.426 120.659 120.300 -0.112 0.000 2.605 670 Y HA 0.937 5.487 4.550 0.000 0.000 0.343 670 Y C -1.518 174.225 175.900 -0.262 0.000 1.036 670 Y CA -1.972 55.877 58.100 -0.418 0.000 1.065 670 Y CB 1.353 39.116 38.460 -1.162 0.000 1.288 670 Y HN 0.813 nan 8.280 nan 0.000 0.481 671 A N 2.672 125.090 122.820 -0.670 0.000 2.572 671 A HA 0.834 5.154 4.320 0.000 0.000 0.295 671 A C -1.417 175.805 177.584 -0.603 0.000 1.072 671 A CA -1.234 50.245 52.037 -0.930 0.000 0.691 671 A CB 1.662 19.802 19.000 -1.433 0.000 1.291 671 A HN 0.849 nan 8.150 nan 0.000 0.404 672 R N -0.003 120.179 120.500 -0.530 0.000 2.532 672 R HA 0.712 5.052 4.340 0.000 0.000 0.295 672 R C -1.307 174.813 176.300 -0.299 0.000 0.968 672 R CA -0.501 55.419 56.100 -0.301 0.000 0.916 672 R CB 1.924 32.100 30.300 -0.207 0.000 1.124 672 R HN 0.634 nan 8.270 nan 0.000 0.463 673 L N 2.295 123.388 121.223 -0.215 0.000 2.406 673 L HA 0.375 4.715 4.340 0.000 0.000 0.272 673 L C -0.991 175.802 176.870 -0.129 0.000 0.980 673 L CA -0.687 54.033 54.840 -0.200 0.000 0.831 673 L CB 1.795 43.721 42.059 -0.222 0.000 1.253 673 L HN 0.580 nan 8.230 nan 0.000 0.406 674 N N 3.486 122.125 118.700 -0.101 0.000 2.442 674 N HA 0.040 4.780 4.740 0.000 0.000 0.265 674 N C 1.053 176.587 175.510 0.039 0.000 1.138 674 N CA 0.159 53.185 53.050 -0.040 0.000 0.956 674 N CB 1.832 40.295 38.487 -0.039 0.000 1.067 674 N HN 0.666 nan 8.380 nan 0.000 0.474 675 V N 2.092 122.062 119.914 0.093 0.000 2.626 675 V HA -0.135 3.985 4.120 0.000 0.000 0.252 675 V C 1.421 177.665 176.094 0.250 0.000 1.067 675 V CA 1.545 64.006 62.300 0.268 0.000 1.081 675 V CB -0.685 31.292 31.823 0.257 0.000 0.686 675 V HN 0.584 nan 8.190 nan 0.000 0.468 676 N N 1.431 120.206 118.700 0.126 0.000 2.216 676 N HA -0.097 4.643 4.740 0.000 0.000 0.183 676 N C 1.624 177.200 175.510 0.110 0.000 1.017 676 N CA 1.427 54.531 53.050 0.090 0.000 0.861 676 N CB -0.319 38.194 38.487 0.043 0.000 0.986 676 N HN 0.494 nan 8.380 nan 0.000 0.428 677 N N 0.222 118.981 118.700 0.098 0.000 2.270 677 N HA -0.148 4.592 4.740 0.000 0.000 0.181 677 N C -0.132 175.466 175.510 0.146 0.000 1.016 677 N CA 0.313 53.408 53.050 0.075 0.000 0.870 677 N CB -0.266 38.225 38.487 0.007 0.000 0.979 677 N HN 0.341 nan 8.380 nan 0.000 0.431 678 W N 2.063 123.325 121.300 -0.064 0.000 6.880 678 W HA -0.259 4.401 4.660 0.000 0.000 0.423 678 W C -0.781 175.677 176.519 -0.102 0.000 1.695 678 W CA 0.379 57.678 57.345 -0.078 0.000 1.126 678 W CB -1.193 28.237 29.460 -0.050 0.000 2.925 678 W HN 0.050 nan 8.180 nan 0.000 1.530 679 N N 1.306 119.838 118.700 -0.280 0.000 2.537 679 N HA 0.420 5.160 4.740 0.000 0.000 0.281 679 N C 0.000 175.318 175.510 -0.321 0.000 1.097 679 N CA 0.454 53.332 53.050 -0.287 0.000 0.964 679 N CB 1.501 39.907 38.487 -0.134 0.000 1.588 679 N HN 0.052 nan 8.380 nan 0.000 0.511 680 A N 2.336 124.925 122.820 -0.385 0.000 2.308 680 A HA 0.154 4.474 4.320 0.000 0.000 0.217 680 A C 0.931 178.403 177.584 -0.187 0.000 1.216 680 A CA 0.155 51.995 52.037 -0.329 0.000 0.864 680 A CB 0.095 18.794 19.000 -0.500 0.000 0.902 680 A HN 0.615 nan 8.150 nan 0.000 0.499 681 D N 1.003 121.305 120.400 -0.164 0.000 2.158 681 D HA -0.119 4.521 4.640 0.000 0.000 0.197 681 D C 0.248 176.512 176.300 -0.061 0.000 0.995 681 D CA 1.277 55.214 54.000 -0.106 0.000 0.846 681 D CB -0.009 40.737 40.800 -0.091 0.000 0.941 681 D HN 0.367 nan 8.370 nan 0.000 0.456 682 D N 0.105 120.458 120.400 -0.078 0.000 2.738 682 D HA 0.132 4.772 4.640 0.000 0.000 0.246 682 D C 0.460 176.695 176.300 -0.109 0.000 1.270 682 D CA -0.309 53.658 54.000 -0.055 0.000 0.833 682 D CB 0.330 41.097 40.800 -0.055 0.000 1.040 682 D HN 0.238 nan 8.370 nan 0.000 0.487 683 I N 1.054 121.543 120.570 -0.135 0.000 2.752 683 I HA -0.061 4.109 4.170 0.000 0.000 0.287 683 I C 0.004 175.932 176.117 -0.315 0.000 1.188 683 I CA 0.289 61.415 61.300 -0.291 0.000 1.427 683 I CB 0.588 38.387 38.000 -0.335 0.000 1.365 683 I HN -0.132 nan 8.210 nan 0.000 0.585 684 E N 6.862 126.756 120.200 -0.511 0.000 2.149 684 E HA 0.164 4.515 4.350 0.000 0.000 0.255 684 E C -1.740 174.527 176.600 -0.554 0.000 0.888 684 E CA -0.413 55.673 56.400 -0.524 0.000 0.742 684 E CB 0.718 29.879 29.700 -0.898 0.000 1.164 684 E HN 0.486 nan 8.360 nan 0.000 0.422 685 W N 2.782 123.987 121.300 -0.159 0.000 2.388 685 W HA 0.233 4.893 4.660 0.000 0.000 0.308 685 W C -0.222 176.220 176.519 -0.128 0.000 1.263 685 W CA -0.563 56.619 57.345 -0.273 0.000 1.286 685 W CB 0.760 29.904 29.460 -0.525 0.000 1.294 685 W HN 0.188 nan 8.180 nan 0.000 0.493 686 V N 4.559 124.478 119.914 0.007 0.000 2.347 686 V HA 0.089 4.209 4.120 0.000 0.000 0.280 686 V C 0.055 176.183 176.094 0.056 0.000 1.021 686 V CA -1.116 61.185 62.300 0.001 0.000 0.847 686 V CB 1.002 32.729 31.823 -0.160 0.000 0.990 686 V HN 0.428 nan 8.190 nan 0.000 0.444 687 N N 4.699 123.309 118.700 -0.151 0.000 2.405 687 N HA 0.221 4.961 4.740 0.000 0.000 0.260 687 N C 0.613 175.992 175.510 -0.217 0.000 1.152 687 N CA -0.133 52.593 53.050 -0.540 0.000 0.948 687 N CB 0.642 38.645 38.487 -0.807 0.000 1.111 687 N HN 0.712 nan 8.380 nan 0.000 0.485 688 I N -0.309 120.135 120.570 -0.209 0.000 4.187 688 I HA 0.353 4.523 4.170 0.000 0.000 0.326 688 I C 0.491 176.564 176.117 -0.073 0.000 1.302 688 I CA -0.236 60.994 61.300 -0.116 0.000 1.196 688 I CB 0.391 38.217 38.000 -0.291 0.000 1.095 688 I HN 0.374 nan 8.210 nan 0.000 0.411 689 T N 0.179 114.666 114.554 -0.111 0.000 2.886 689 T HA 0.346 4.696 4.350 0.000 0.000 0.330 689 T C -2.120 172.559 174.700 -0.035 0.000 1.488 689 T CA -0.512 61.594 62.100 0.010 0.000 1.054 689 T CB 1.997 70.961 68.868 0.161 0.000 1.348 689 T HN 0.067 nan 8.240 nan 0.000 0.489 690 D N 2.390 122.800 120.400 0.016 0.000 2.362 690 D HA 0.682 5.322 4.640 0.000 0.000 0.247 690 D C -0.317 176.005 176.300 0.037 0.000 1.050 690 D CA -0.249 53.769 54.000 0.030 0.000 0.839 690 D CB 2.040 42.885 40.800 0.075 0.000 1.283 690 D HN 0.334 nan 8.370 nan 0.000 0.477 691 Q N 0.350 120.157 119.800 0.012 0.000 2.427 691 Q HA 0.655 4.995 4.340 0.000 0.000 0.232 691 Q C -0.470 175.435 176.000 -0.159 0.000 1.018 691 Q CA -0.627 55.107 55.803 -0.116 0.000 0.965 691 Q CB 1.543 30.225 28.738 -0.094 0.000 1.232 691 Q HN 0.410 nan 8.270 nan 0.000 0.510 692 I N 0.771 121.153 120.570 -0.314 0.000 2.441 692 I HA 0.312 4.482 4.170 0.000 0.000 0.295 692 I C -1.189 174.766 176.117 -0.270 0.000 0.994 692 I CA -0.996 60.011 61.300 -0.490 0.000 1.144 692 I CB 1.340 38.891 38.000 -0.749 0.000 1.314 692 I HN 0.522 nan 8.210 nan 0.000 0.445 693 Y N 5.904 126.009 120.300 -0.325 0.000 2.331 693 Y HA 0.201 4.751 4.550 0.000 0.000 0.338 693 Y C 1.082 176.862 175.900 -0.199 0.000 0.976 693 Y CA -0.203 57.776 58.100 -0.203 0.000 1.137 693 Y CB 1.292 39.688 38.460 -0.108 0.000 1.172 693 Y HN 0.593 nan 8.280 nan 0.000 0.478 694 Q N 4.435 123.798 119.800 -0.729 0.000 2.049 694 Q HA 0.025 4.365 4.340 0.000 0.000 0.198 694 Q C 1.465 177.076 176.000 -0.648 0.000 0.971 694 Q CA 2.021 57.486 55.803 -0.564 0.000 0.833 694 Q CB -0.224 28.270 28.738 -0.405 0.000 0.896 694 Q HN 1.262 nan 8.270 nan 0.000 0.434 695 G N -1.449 106.685 108.800 -1.110 0.000 2.175 695 G HA2 -0.272 3.689 3.960 0.000 0.000 0.244 695 G HA3 -0.272 3.689 3.960 0.000 0.000 0.244 695 G C 0.875 175.689 174.900 -0.143 0.000 0.982 695 G CA 0.709 45.425 45.100 -0.639 0.000 0.641 695 G HN 0.584 nan 8.290 nan 0.000 0.527 696 G N 0.251 108.962 108.800 -0.148 0.000 2.471 696 G HA2 0.353 4.313 3.960 0.000 0.000 0.219 696 G HA3 0.353 4.313 3.960 0.000 0.000 0.219 696 G C 0.894 175.915 174.900 0.202 0.000 1.125 696 G CA 1.381 46.495 45.100 0.023 0.000 0.775 696 G HN 1.602 nan 8.290 nan 0.000 0.548 697 I N -4.685 115.958 120.570 0.122 0.000 3.174 697 I HA 0.554 4.724 4.170 0.000 0.000 0.313 697 I C 0.985 177.135 176.117 0.055 0.000 1.155 697 I CA -1.116 60.313 61.300 0.216 0.000 0.977 697 I CB 1.892 39.939 38.000 0.079 0.000 1.248 697 I HN -0.213 nan 8.210 nan 0.000 0.453 698 V N 2.593 122.459 119.914 -0.080 0.000 2.515 698 V HA -0.087 4.033 4.120 0.000 0.000 0.250 698 V C 1.035 177.051 176.094 -0.130 0.000 1.058 698 V CA 1.504 63.568 62.300 -0.393 0.000 1.064 698 V CB -0.906 30.670 31.823 -0.411 0.000 0.675 698 V HN 0.879 nan 8.190 nan 0.000 0.461 699 N N 0.319 118.963 118.700 -0.094 0.000 2.453 699 N HA 0.240 4.980 4.740 0.000 0.000 0.253 699 N C -0.473 175.078 175.510 0.069 0.000 1.252 699 N CA 0.455 53.374 53.050 -0.218 0.000 0.917 699 N CB 0.867 38.956 38.487 -0.663 0.000 1.117 699 N HN 0.280 nan 8.380 nan 0.000 0.442 700 S N -0.566 115.189 115.700 0.091 0.000 2.521 700 S HA 0.542 5.012 4.470 0.000 0.000 0.295 700 S C 0.718 175.529 174.600 0.351 0.000 1.098 700 S CA -0.851 57.512 58.200 0.272 0.000 0.999 700 S CB 1.215 64.477 63.200 0.103 0.000 1.034 700 S HN 0.656 nan 8.310 nan 0.000 0.483 701 G N 2.262 111.213 108.800 0.252 0.000 3.042 701 G HA2 0.201 4.161 3.960 0.000 0.000 0.212 701 G HA3 0.201 4.161 3.960 0.000 0.000 0.212 701 G C 0.543 175.420 174.900 -0.039 0.000 1.166 701 G CA 0.442 45.571 45.100 0.048 0.000 0.767 701 G HN 0.922 nan 8.290 nan 0.000 0.546 702 V N 0.130 120.075 119.914 0.052 0.000 2.715 702 V HA 0.622 4.742 4.120 0.000 0.000 0.299 702 V C 1.025 177.214 176.094 0.159 0.000 1.054 702 V CA 0.866 63.212 62.300 0.077 0.000 1.077 702 V CB 0.681 32.556 31.823 0.085 0.000 0.972 702 V HN 1.309 nan 8.190 nan 0.000 0.484 703 G N 3.542 112.516 108.800 0.289 0.000 2.509 703 G HA2 -0.062 3.898 3.960 0.000 0.000 0.256 703 G HA3 -0.062 3.898 3.960 0.000 0.000 0.256 703 G C 0.508 175.584 174.900 0.293 0.000 1.152 703 G CA 0.606 45.931 45.100 0.374 0.000 0.951 703 G HN 2.520 nan 8.290 nan 0.000 0.559 704 V N -2.266 117.833 119.914 0.308 0.000 5.771 704 V HA 0.158 4.278 4.120 0.000 0.000 0.180 704 V C 1.133 177.433 176.094 0.344 0.000 0.710 704 V CA 1.930 64.428 62.300 0.330 0.000 0.522 704 V CB -1.913 30.107 31.823 0.328 0.000 0.231 704 V HN 2.520 nan 8.190 nan 0.000 0.424 705 G N 0.592 109.638 108.800 0.411 0.000 2.890 705 G HA2 0.786 4.747 3.960 0.000 0.000 0.189 705 G HA3 0.786 4.747 3.960 0.000 0.000 0.189 705 G C -0.334 174.800 174.900 0.391 0.000 1.342 705 G CA -0.272 45.036 45.100 0.347 0.000 1.026 705 G HN 1.597 nan 8.290 nan 0.000 0.579 706 S N -2.458 113.460 115.700 0.363 0.000 2.547 706 S HA 0.583 5.053 4.470 0.000 0.000 0.270 706 S C -1.637 173.163 174.600 0.334 0.000 1.150 706 S CA -0.457 57.934 58.200 0.317 0.000 0.850 706 S CB 1.802 65.140 63.200 0.229 0.000 1.118 706 S HN 0.660 nan 8.310 nan 0.000 0.461 707 V N 3.440 123.528 119.914 0.290 0.000 2.656 707 V HA 0.820 4.940 4.120 0.000 0.000 0.307 707 V C -0.433 175.804 176.094 0.238 0.000 1.051 707 V CA -0.497 61.965 62.300 0.271 0.000 0.893 707 V CB 1.645 33.648 31.823 0.300 0.000 0.999 707 V HN 0.931 nan 8.190 nan 0.000 0.426 708 V N 2.566 122.638 119.914 0.263 0.000 3.078 708 V HA 0.831 4.951 4.120 0.000 0.000 0.311 708 V C -0.864 175.434 176.094 0.341 0.000 1.138 708 V CA -0.815 61.642 62.300 0.261 0.000 1.007 708 V CB 2.054 33.990 31.823 0.190 0.000 1.045 708 V HN 0.468 nan 8.190 nan 0.000 0.432 709 V N 2.487 122.585 119.914 0.307 0.000 2.483 709 V HA 0.624 4.744 4.120 0.000 0.000 0.295 709 V C -0.096 176.179 176.094 0.301 0.000 1.035 709 V CA -0.466 62.031 62.300 0.328 0.000 0.896 709 V CB 1.621 33.599 31.823 0.259 0.000 0.986 709 V HN 1.065 nan 8.190 nan 0.000 0.447 710 K N 3.860 124.491 120.400 0.384 0.000 2.471 710 K HA 0.420 4.740 4.320 0.000 0.000 0.252 710 K C -0.447 176.323 176.600 0.284 0.000 0.938 710 K CA -0.445 56.004 56.287 0.271 0.000 0.796 710 K CB 1.308 33.908 32.500 0.166 0.000 1.161 710 K HN 0.784 nan 8.250 nan 0.000 0.425 711 D N 1.639 122.148 120.400 0.183 0.000 3.608 711 D HA -0.310 4.331 4.640 0.000 0.000 0.152 711 D C 0.317 176.688 176.300 0.118 0.000 0.971 711 D CA 1.927 56.015 54.000 0.147 0.000 1.072 711 D CB -0.592 40.306 40.800 0.162 0.000 0.507 711 D HN 0.908 nan 8.370 nan 0.000 0.520 712 N N 0.873 119.611 118.700 0.062 0.000 2.295 712 N HA 0.025 4.765 4.740 0.000 0.000 0.221 712 N C -0.640 174.627 175.510 -0.404 0.000 1.129 712 N CA 0.114 53.074 53.050 -0.149 0.000 0.836 712 N CB 0.003 38.347 38.487 -0.238 0.000 1.040 712 N HN 0.387 nan 8.380 nan 0.000 0.494 713 Y N 0.316 120.638 120.300 0.036 0.000 2.462 713 Y HA 0.532 5.082 4.550 -0.000 0.000 0.346 713 Y C -0.174 175.682 175.900 -0.074 0.000 0.976 713 Y CA -1.037 57.003 58.100 -0.100 0.000 1.044 713 Y CB 2.124 40.410 38.460 -0.290 0.000 1.230 713 Y HN -0.099 nan 8.280 nan 0.000 0.455 714 I N 2.627 123.209 120.570 0.020 0.000 2.525 714 I HA 0.474 4.644 4.170 0.000 0.000 0.301 714 I C -1.656 174.423 176.117 -0.063 0.000 0.992 714 I CA -0.854 60.523 61.300 0.128 0.000 1.162 714 I CB 1.165 39.311 38.000 0.243 0.000 1.332 714 I HN 0.579 nan 8.210 nan 0.000 0.458 715 Y N 6.295 126.678 120.300 0.139 0.000 2.361 715 Y HA 0.332 4.882 4.550 0.000 0.000 0.337 715 Y C -1.094 174.815 175.900 0.016 0.000 0.965 715 Y CA -0.605 57.553 58.100 0.096 0.000 1.091 715 Y CB 1.501 40.033 38.460 0.121 0.000 1.182 715 Y HN 0.399 nan 8.280 nan 0.000 0.450 716 Y N 4.650 124.861 120.300 -0.148 0.000 2.369 716 Y HA 0.621 5.171 4.550 0.000 0.000 0.337 716 Y C -1.254 174.745 175.900 0.165 0.000 0.961 716 Y CA -2.026 55.907 58.100 -0.278 0.000 1.186 716 Y CB 0.741 38.586 38.460 -1.025 0.000 1.139 716 Y HN 0.656 nan 8.280 nan 0.000 0.494 717 M N 8.704 128.323 119.600 0.032 0.000 2.180 717 M HA 0.501 4.981 4.480 0.000 0.000 0.350 717 M C -1.214 175.045 176.300 -0.068 0.000 1.125 717 M CA -0.242 55.040 55.300 -0.029 0.000 1.031 717 M CB 0.861 33.438 32.600 -0.039 0.000 1.623 717 M HN 0.574 nan 8.290 nan 0.000 0.451 718 F N -0.319 119.382 119.950 -0.415 0.000 2.773 718 F HA 0.896 5.423 4.527 -0.000 0.000 0.314 718 F C -0.274 175.423 175.800 -0.172 0.000 1.160 718 F CA -1.495 56.294 58.000 -0.353 0.000 0.920 718 F CB 0.637 39.227 39.000 -0.683 0.000 1.323 718 F HN 0.559 nan 8.300 nan 0.000 0.457 719 G N -0.400 108.318 108.800 -0.137 0.000 2.507 719 G HA2 0.575 4.535 3.960 0.000 0.000 0.271 719 G HA3 0.575 4.535 3.960 0.000 0.000 0.271 719 G C -0.655 174.131 174.900 -0.190 0.000 1.189 719 G CA -0.426 44.553 45.100 -0.202 0.000 0.859 719 G HN 1.326 nan 8.290 nan 0.000 0.542 720 G N -0.199 108.526 108.800 -0.125 0.000 2.720 720 G HA2 0.587 4.547 3.960 0.000 0.000 0.295 720 G HA3 0.587 4.547 3.960 0.000 0.000 0.295 720 G C -0.822 174.019 174.900 -0.099 0.000 1.437 720 G CA -0.608 44.379 45.100 -0.188 0.000 0.886 720 G HN 0.570 nan 8.290 nan 0.000 0.509 721 E N -0.719 119.374 120.200 -0.179 0.000 2.664 721 E HA 0.632 4.982 4.350 0.000 0.000 0.245 721 E C -0.678 175.761 176.600 -0.268 0.000 1.016 721 E CA -0.657 55.616 56.400 -0.211 0.000 0.963 721 E CB 1.329 30.887 29.700 -0.238 0.000 1.360 721 E HN 0.653 nan 8.360 nan 0.000 0.472 722 D N -1.963 118.242 120.400 -0.325 0.000 2.752 722 D HA 0.161 4.801 4.640 0.000 0.000 0.313 722 D C 0.125 176.114 176.300 -0.518 0.000 1.225 722 D CA -0.549 53.182 54.000 -0.448 0.000 0.976 722 D CB 0.130 40.733 40.800 -0.328 0.000 1.443 722 D HN 0.326 nan 8.370 nan 0.000 0.515 723 H N -1.035 117.748 119.070 -0.477 0.000 2.547 723 H HA 0.188 4.744 4.556 0.000 0.000 0.266 723 H C -0.202 174.918 175.328 -0.346 0.000 0.988 723 H CA 0.070 55.871 56.048 -0.412 0.000 1.147 723 H CB -0.242 29.305 29.762 -0.358 0.000 1.365 723 H HN 0.187 nan 8.280 nan 0.000 0.589 724 F N 2.050 121.937 119.950 -0.105 0.000 2.462 724 F HA 0.062 4.589 4.527 0.000 0.000 0.360 724 F C 1.256 176.828 175.800 -0.380 0.000 1.134 724 F CA -0.958 56.933 58.000 -0.182 0.000 1.148 724 F CB -0.161 38.762 39.000 -0.130 0.000 1.147 724 F HN -0.030 nan 8.300 nan 0.000 0.550 725 N N 6.195 124.620 118.700 -0.459 0.000 2.412 725 N HA -0.012 4.728 4.740 0.000 0.000 0.258 725 N C -1.446 173.445 175.510 -1.032 0.000 1.236 725 N CA -0.954 51.556 53.050 -0.900 0.000 0.882 725 N CB 1.177 38.688 38.487 -1.627 0.000 1.066 725 N HN 0.219 nan 8.380 nan 0.000 0.465 726 P HA -0.047 nan 4.420 nan 0.000 0.237 726 P C -0.497 176.647 177.300 -0.260 0.000 1.178 726 P CA 0.540 63.401 63.100 -0.398 0.000 0.766 726 P CB -0.163 31.477 31.700 -0.099 0.000 0.876 727 W N -1.511 119.781 121.300 -0.012 0.000 4.435 727 W HA -0.191 4.469 4.660 0.000 0.000 0.351 727 W C 1.191 177.698 176.519 -0.020 0.000 1.319 727 W CA 0.208 57.554 57.345 0.002 0.000 0.791 727 W CB -3.136 26.322 29.460 -0.004 0.000 2.419 727 W HN -0.071 nan 8.180 nan 0.000 1.406 728 T N -1.306 113.274 114.554 0.045 0.000 2.684 728 T HA -0.216 4.134 4.350 0.000 0.000 0.267 728 T C 0.485 175.109 174.700 -0.127 0.000 1.036 728 T CA 1.451 63.486 62.100 -0.109 0.000 1.148 728 T CB -0.247 68.430 68.868 -0.318 0.000 0.863 728 T HN 0.183 nan 8.240 nan 0.000 0.436 729 Y N 1.214 121.630 120.300 0.195 0.000 2.594 729 Y HA 0.531 5.081 4.550 0.000 0.000 0.342 729 Y C 1.020 177.065 175.900 0.242 0.000 1.010 729 Y CA -0.481 57.727 58.100 0.179 0.000 1.270 729 Y CB 0.614 39.166 38.460 0.153 0.000 1.125 729 Y HN 0.343 nan 8.280 nan 0.000 0.513 730 G N 2.063 111.048 108.800 0.308 0.000 2.334 730 G HA2 -0.149 3.811 3.960 0.000 0.000 0.249 730 G HA3 -0.149 3.811 3.960 0.000 0.000 0.249 730 G C -0.764 174.220 174.900 0.141 0.000 1.327 730 G CA -0.243 44.994 45.100 0.229 0.000 0.979 730 G HN 0.471 nan 8.290 nan 0.000 0.471 731 D N -0.481 119.960 120.400 0.069 0.000 2.328 731 D HA 0.065 4.706 4.640 0.000 0.000 0.226 731 D C 0.685 177.032 176.300 0.078 0.000 1.066 731 D CA 0.509 54.528 54.000 0.032 0.000 0.861 731 D CB -0.090 40.677 40.800 -0.055 0.000 0.912 731 D HN 0.448 nan 8.370 nan 0.000 0.521 732 N N 0.194 118.977 118.700 0.139 0.000 2.610 732 N HA 0.003 4.743 4.740 0.000 0.000 0.307 732 N C 0.775 176.349 175.510 0.107 0.000 1.813 732 N CA 0.135 53.258 53.050 0.122 0.000 0.901 732 N CB 0.522 39.096 38.487 0.145 0.000 1.354 732 N HN 0.085 nan 8.380 nan 0.000 0.491 733 S N -0.720 115.037 115.700 0.094 0.000 2.419 733 S HA -0.158 4.312 4.470 0.000 0.000 0.235 733 S C 1.916 176.561 174.600 0.074 0.000 1.019 733 S CA 1.021 59.266 58.200 0.073 0.000 0.982 733 S CB -0.130 63.119 63.200 0.083 0.000 0.789 733 S HN 0.392 nan 8.310 nan 0.000 0.490 734 A N 1.442 124.311 122.820 0.082 0.000 2.168 734 A HA 0.175 4.495 4.320 0.000 0.000 0.215 734 A C 1.181 178.834 177.584 0.115 0.000 1.152 734 A CA 0.829 52.919 52.037 0.087 0.000 0.716 734 A CB -0.642 18.408 19.000 0.083 0.000 0.794 734 A HN 0.589 nan 8.150 nan 0.000 0.465 735 K N -0.511 119.971 120.400 0.136 0.000 3.230 735 K HA -0.164 4.156 4.320 0.000 0.000 0.285 735 K C -0.594 176.143 176.600 0.229 0.000 1.196 735 K CA 0.713 57.142 56.287 0.237 0.000 0.838 735 K CB -1.608 31.057 32.500 0.275 0.000 1.262 735 K HN 0.612 nan 8.250 nan 0.000 0.492 736 D N 0.846 121.311 120.400 0.109 0.000 2.412 736 D HA 0.034 4.674 4.640 0.000 0.000 0.257 736 D C -1.388 174.849 176.300 -0.106 0.000 1.217 736 D CA -1.879 52.157 54.000 0.060 0.000 0.897 736 D CB 1.056 41.907 40.800 0.084 0.000 1.132 736 D HN -0.025 nan 8.370 nan 0.000 0.493 737 P HA -0.083 nan 4.420 nan 0.000 0.219 737 P C 0.600 177.467 177.300 -0.721 0.000 1.146 737 P CA 0.894 63.607 63.100 -0.645 0.000 0.808 737 P CB 0.016 30.976 31.700 -1.234 0.000 0.779 738 F N -1.157 118.745 119.950 -0.080 0.000 2.765 738 F HA 0.119 4.646 4.527 0.000 0.000 0.302 738 F C 1.110 176.891 175.800 -0.031 0.000 1.111 738 F CA 0.134 58.100 58.000 -0.056 0.000 1.359 738 F CB -0.458 38.526 39.000 -0.026 0.000 1.097 738 F HN -0.313 nan 8.300 nan 0.000 0.577 739 K N 0.678 121.101 120.400 0.038 0.000 2.205 739 K HA 0.330 4.650 4.320 0.000 0.000 0.279 739 K C 0.888 177.494 176.600 0.010 0.000 1.027 739 K CA 0.152 56.461 56.287 0.037 0.000 0.932 739 K CB 1.535 34.060 32.500 0.042 0.000 1.032 739 K HN 0.131 nan 8.250 nan 0.000 0.466 740 S N 1.930 117.647 115.700 0.028 0.000 3.762 740 S HA -0.229 4.241 4.470 0.000 0.000 0.627 740 S C 0.374 174.946 174.600 -0.046 0.000 2.389 740 S CA 1.442 59.662 58.200 0.033 0.000 3.978 740 S CB -0.950 62.360 63.200 0.182 0.000 0.234 740 S HN 0.798 nan 8.310 nan 0.000 0.960 741 D N 2.908 123.254 120.400 -0.089 0.000 2.319 741 D HA 0.348 4.988 4.640 0.000 0.000 0.230 741 D C 1.340 177.533 176.300 -0.179 0.000 1.094 741 D CA 1.183 55.063 54.000 -0.199 0.000 0.856 741 D CB -0.487 40.091 40.800 -0.370 0.000 0.915 741 D HN 1.011 nan 8.370 nan 0.000 0.517 742 G N 1.152 109.821 108.800 -0.219 0.000 2.574 742 G HA2 -0.284 3.676 3.960 0.000 0.000 0.282 742 G HA3 -0.284 3.676 3.960 0.000 0.000 0.282 742 G C -0.460 174.159 174.900 -0.468 0.000 1.257 742 G CA -0.242 44.630 45.100 -0.380 0.000 0.956 742 G HN 0.478 nan 8.290 nan 0.000 0.560 743 H N 2.063 121.063 119.070 -0.116 0.000 2.473 743 H HA 0.458 5.014 4.556 0.000 0.000 0.327 743 H C -1.081 174.135 175.328 -0.187 0.000 1.105 743 H CA -1.162 54.806 56.048 -0.133 0.000 1.280 743 H CB 1.835 31.563 29.762 -0.058 0.000 1.450 743 H HN 0.332 nan 8.280 nan 0.000 0.492 744 P HA -0.094 nan 4.420 nan 0.000 0.225 744 P C 0.461 177.632 177.300 -0.214 0.000 1.156 744 P CA 0.506 63.520 63.100 -0.144 0.000 0.787 744 P CB 0.424 32.018 31.700 -0.178 0.000 0.802 745 S N 0.670 116.139 115.700 -0.384 0.000 2.510 745 S HA 0.150 4.620 4.470 0.000 0.000 0.279 745 S C -0.095 174.341 174.600 -0.274 0.000 1.284 745 S CA -0.099 57.854 58.200 -0.412 0.000 1.059 745 S CB -0.291 62.442 63.200 -0.777 0.000 0.901 745 S HN -0.019 nan 8.310 nan 0.000 0.491 746 D N 2.482 122.743 120.400 -0.232 0.000 2.636 746 D HA 0.395 5.035 4.640 0.000 0.000 0.275 746 D C -0.736 175.312 176.300 -0.421 0.000 1.130 746 D CA -0.512 53.295 54.000 -0.321 0.000 1.031 746 D CB 1.325 41.916 40.800 -0.348 0.000 1.451 746 D HN 0.407 nan 8.370 nan 0.000 0.505 747 L N 1.116 121.967 121.223 -0.620 0.000 2.325 747 L HA 0.414 4.754 4.340 0.000 0.000 0.279 747 L C -0.806 175.493 176.870 -0.950 0.000 1.054 747 L CA -0.560 53.884 54.840 -0.659 0.000 0.804 747 L CB 0.551 42.202 42.059 -0.680 0.000 1.200 747 L HN 0.302 nan 8.230 nan 0.000 0.436 748 Y N 0.609 120.464 120.300 -0.742 0.000 2.630 748 Y HA 0.533 5.083 4.550 0.000 0.000 0.337 748 Y C -0.132 175.445 175.900 -0.539 0.000 1.051 748 Y CA -0.847 56.844 58.100 -0.680 0.000 1.121 748 Y CB 1.933 39.896 38.460 -0.828 0.000 1.299 748 Y HN 0.467 nan 8.280 nan 0.000 0.498 749 C N 2.012 121.278 119.300 -0.055 0.000 2.446 749 C HA 0.493 4.953 4.460 0.000 0.000 0.329 749 C C -1.452 173.776 174.990 0.397 0.000 1.166 749 C CA -0.846 58.252 59.018 0.133 0.000 1.341 749 C CB -0.838 26.884 27.740 -0.030 0.000 1.970 749 C HN 0.776 nan 8.230 nan 0.000 0.452 750 Y N 4.921 125.445 120.300 0.374 0.000 2.350 750 Y HA 0.448 4.998 4.550 0.000 0.000 0.340 750 Y C 0.329 176.331 175.900 0.170 0.000 1.006 750 Y CA 0.324 58.608 58.100 0.306 0.000 1.166 750 Y CB 0.487 39.122 38.460 0.292 0.000 1.168 750 Y HN 0.731 nan 8.280 nan 0.000 0.502 751 K N 8.142 128.428 120.400 -0.190 0.000 2.316 751 K HA 0.394 4.714 4.320 0.000 0.000 0.267 751 K C -1.285 175.198 176.600 -0.194 0.000 1.025 751 K CA -0.650 55.495 56.287 -0.238 0.000 0.896 751 K CB 0.662 33.056 32.500 -0.177 0.000 1.124 751 K HN 0.848 nan 8.250 nan 0.000 0.451 752 M N 4.450 124.056 119.600 0.010 0.000 2.311 752 M HA 0.284 4.764 4.480 0.000 0.000 0.325 752 M C -0.927 175.450 176.300 0.128 0.000 1.061 752 M CA -0.748 54.645 55.300 0.155 0.000 0.957 752 M CB 1.349 34.112 32.600 0.272 0.000 1.646 752 M HN 0.486 nan 8.290 nan 0.000 0.434 753 K N 3.211 123.655 120.400 0.074 0.000 2.412 753 K HA 0.135 4.455 4.320 0.000 0.000 0.281 753 K C -0.056 176.430 176.600 -0.190 0.000 1.027 753 K CA 0.183 56.314 56.287 -0.259 0.000 0.989 753 K CB 0.611 32.987 32.500 -0.208 0.000 0.935 753 K HN 0.732 nan 8.250 nan 0.000 0.475 754 I N 2.146 122.559 120.570 -0.262 0.000 4.439 754 I HA 0.286 4.456 4.170 0.000 0.000 0.331 754 I C 0.205 176.249 176.117 -0.122 0.000 1.345 754 I CA 0.090 61.315 61.300 -0.126 0.000 1.193 754 I CB 1.221 39.188 38.000 -0.055 0.000 1.221 754 I HN 0.738 nan 8.210 nan 0.000 0.429 755 G N -0.252 108.436 108.800 -0.187 0.000 2.608 755 G HA2 0.512 4.472 3.960 0.000 0.000 0.291 755 G HA3 0.512 4.472 3.960 0.000 0.000 0.291 755 G C -3.148 171.658 174.900 -0.156 0.000 1.425 755 G CA -0.904 44.116 45.100 -0.133 0.000 0.787 755 G HN -0.304 nan 8.290 nan 0.000 0.484 756 P HA 0.216 nan 4.420 nan 0.000 0.269 756 P C -1.040 176.218 177.300 -0.070 0.000 1.209 756 P CA -0.042 63.014 63.100 -0.074 0.000 0.776 756 P CB 0.861 32.535 31.700 -0.042 0.000 0.876 757 D N 2.066 122.440 120.400 -0.044 0.000 2.441 757 D HA 0.139 4.779 4.640 0.000 0.000 0.231 757 D C -0.226 176.085 176.300 0.018 0.000 1.073 757 D CA -0.214 53.787 54.000 0.002 0.000 0.850 757 D CB -0.067 40.760 40.800 0.045 0.000 1.062 757 D HN 0.197 nan 8.370 nan 0.000 0.524 758 N N 2.214 120.926 118.700 0.020 0.000 2.295 758 N HA 0.117 4.857 4.740 0.000 0.000 0.221 758 N C 0.079 175.605 175.510 0.026 0.000 1.129 758 N CA -0.047 53.014 53.050 0.018 0.000 0.836 758 N CB 0.707 39.202 38.487 0.013 0.000 1.040 758 N HN 0.079 nan 8.380 nan 0.000 0.494 759 R N 0.075 120.597 120.500 0.037 0.000 2.803 759 R HA 0.444 4.784 4.340 0.000 0.000 0.276 759 R C -0.401 175.924 176.300 0.042 0.000 0.978 759 R CA -0.876 55.248 56.100 0.039 0.000 0.939 759 R CB 1.985 32.313 30.300 0.048 0.000 1.179 759 R HN -0.080 nan 8.270 nan 0.000 0.472 760 V N 1.249 121.184 119.914 0.036 0.000 3.287 760 V HA -0.062 4.058 4.120 0.000 0.000 0.306 760 V C 0.838 176.959 176.094 0.045 0.000 1.103 760 V CA 0.354 62.676 62.300 0.037 0.000 1.159 760 V CB 1.534 33.375 31.823 0.030 0.000 1.036 760 V HN 0.786 nan 8.190 nan 0.000 0.487 761 S N 1.639 117.366 115.700 0.045 0.000 2.552 761 S HA 0.099 4.569 4.470 0.000 0.000 0.289 761 S C 0.911 175.542 174.600 0.053 0.000 1.304 761 S CA -0.169 58.060 58.200 0.048 0.000 1.063 761 S CB 0.141 63.366 63.200 0.042 0.000 0.848 761 S HN 0.619 nan 8.310 nan 0.000 0.499 762 R N 1.819 122.347 120.500 0.048 0.000 2.312 762 R HA 0.272 4.612 4.340 0.000 0.000 0.205 762 R C -0.283 176.069 176.300 0.087 0.000 0.904 762 R CA 0.001 56.143 56.100 0.070 0.000 1.052 762 R CB 0.039 30.367 30.300 0.048 0.000 1.014 762 R HN 0.559 nan 8.270 nan 0.000 0.503 763 D N 0.680 121.092 120.400 0.021 0.000 2.399 763 D HA 0.099 4.739 4.640 0.000 0.000 0.241 763 D C -0.157 176.175 176.300 0.052 0.000 1.133 763 D CA 0.552 54.512 54.000 -0.067 0.000 0.890 763 D CB 0.530 41.299 40.800 -0.053 0.000 1.201 763 D HN -0.002 nan 8.370 nan 0.000 0.432 764 F N -1.469 118.514 119.950 0.055 0.000 2.626 764 F HA 0.511 5.038 4.527 0.000 0.000 0.311 764 F C -0.197 175.651 175.800 0.080 0.000 1.088 764 F CA -1.438 56.593 58.000 0.052 0.000 0.949 764 F CB 1.346 40.369 39.000 0.039 0.000 1.322 764 F HN -0.027 nan 8.300 nan 0.000 0.461 765 R N 1.752 122.439 120.500 0.312 0.000 2.297 765 R HA 0.266 4.606 4.340 0.000 0.000 0.308 765 R C -1.639 174.895 176.300 0.389 0.000 1.029 765 R CA -0.699 55.555 56.100 0.257 0.000 0.929 765 R CB 0.806 31.192 30.300 0.144 0.000 1.046 765 R HN 0.922 nan 8.270 nan 0.000 0.461 766 Y N 2.753 123.218 120.300 0.274 0.000 2.436 766 Y HA 0.263 4.813 4.550 0.000 0.000 0.343 766 Y C 0.717 176.691 175.900 0.123 0.000 1.008 766 Y CA 0.589 58.839 58.100 0.251 0.000 1.241 766 Y CB 1.293 39.896 38.460 0.239 0.000 1.153 766 Y HN 0.815 nan 8.280 nan 0.000 0.521 767 G N 4.168 112.831 108.800 -0.228 0.000 3.342 767 G HA2 0.392 4.352 3.960 0.000 0.000 0.252 767 G HA3 0.392 4.352 3.960 0.000 0.000 0.252 767 G C -0.033 174.720 174.900 -0.244 0.000 1.011 767 G CA 0.290 45.307 45.100 -0.138 0.000 0.869 767 G HN 0.849 nan 8.290 nan 0.000 0.514 768 A N 0.098 122.583 122.820 -0.559 0.000 2.304 768 A HA 0.645 4.965 4.320 0.000 0.000 0.271 768 A C 0.124 177.608 177.584 -0.166 0.000 1.091 768 A CA -0.272 51.519 52.037 -0.410 0.000 0.812 768 A CB 0.992 19.658 19.000 -0.557 0.000 1.056 768 A HN 0.288 nan 8.150 nan 0.000 0.489 769 V N 2.919 122.795 119.914 -0.062 0.000 2.470 769 V HA 0.171 4.291 4.120 0.000 0.000 0.276 769 V C -1.981 174.158 176.094 0.074 0.000 1.040 769 V CA -0.763 61.553 62.300 0.026 0.000 1.008 769 V CB 0.517 32.336 31.823 -0.007 0.000 0.990 769 V HN 0.736 nan 8.190 nan 0.000 0.477 770 P HA 0.132 nan 4.420 nan 0.000 0.265 770 P C 0.107 177.436 177.300 0.047 0.000 1.222 770 P CA 0.397 63.600 63.100 0.173 0.000 0.767 770 P CB 0.099 31.877 31.700 0.130 0.000 0.801 771 N N 2.382 121.095 118.700 0.020 0.000 2.377 771 N HA 0.090 4.830 4.740 0.000 0.000 0.259 771 N C 0.774 176.269 175.510 -0.025 0.000 1.332 771 N CA -0.294 52.719 53.050 -0.062 0.000 0.877 771 N CB 0.284 38.681 38.487 -0.151 0.000 1.299 771 N HN 0.066 nan 8.380 nan 0.000 0.501 772 R N 0.108 120.610 120.500 0.004 0.000 2.123 772 R HA 0.259 4.599 4.340 0.000 0.000 0.209 772 R C 1.942 178.235 176.300 -0.013 0.000 1.078 772 R CA 0.542 56.647 56.100 0.008 0.000 1.028 772 R CB -0.782 29.524 30.300 0.011 0.000 0.939 772 R HN 0.137 nan 8.270 nan 0.000 0.463 773 A N 0.806 123.612 122.820 -0.023 0.000 1.872 773 A HA 0.032 4.352 4.320 0.000 0.000 0.214 773 A C 0.793 178.344 177.584 -0.056 0.000 1.187 773 A CA 0.956 52.965 52.037 -0.045 0.000 0.614 773 A CB 0.190 19.164 19.000 -0.042 0.000 0.826 773 A HN 0.035 nan 8.150 nan 0.000 0.442 774 V N 1.368 121.255 119.914 -0.045 0.000 2.380 774 V HA 0.267 4.387 4.120 0.000 0.000 0.268 774 V C -2.920 173.143 176.094 -0.052 0.000 1.008 774 V CA -1.487 60.789 62.300 -0.040 0.000 0.823 774 V CB 1.045 32.850 31.823 -0.029 0.000 1.053 774 V HN 0.183 nan 8.190 nan 0.000 0.446 775 P HA 0.216 nan 4.420 nan 0.000 0.270 775 P C -0.468 176.731 177.300 -0.168 0.000 1.242 775 P CA 0.287 63.345 63.100 -0.071 0.000 0.768 775 P CB 0.887 32.691 31.700 0.172 0.000 0.820 776 V N 5.413 125.038 119.914 -0.482 0.000 2.513 776 V HA 0.529 4.649 4.120 0.000 0.000 0.299 776 V C -0.321 175.232 176.094 -0.902 0.000 1.035 776 V CA -0.366 61.668 62.300 -0.443 0.000 0.889 776 V CB 1.142 32.792 31.823 -0.289 0.000 0.988 776 V HN 0.316 nan 8.190 nan 0.000 0.440 777 F N 2.858 122.773 119.950 -0.058 0.000 2.547 777 F HA 0.560 5.088 4.527 0.000 0.000 0.316 777 F C -0.384 175.391 175.800 -0.042 0.000 1.121 777 F CA -0.683 57.322 58.000 0.008 0.000 0.911 777 F CB 1.539 40.551 39.000 0.020 0.000 1.179 777 F HN 0.274 nan 8.300 nan 0.000 0.443 778 F N 3.148 123.172 119.950 0.123 0.000 2.494 778 F HA 0.129 4.656 4.527 -0.000 0.000 0.369 778 F C 0.921 176.777 175.800 0.093 0.000 1.098 778 F CA -0.554 57.493 58.000 0.078 0.000 1.154 778 F CB -0.003 39.022 39.000 0.041 0.000 1.103 778 F HN 0.474 nan 8.300 nan 0.000 0.549 779 D N 0.479 120.981 120.400 0.170 0.000 2.393 779 D HA -0.026 4.614 4.640 0.000 0.000 0.246 779 D C 1.319 177.691 176.300 0.120 0.000 1.275 779 D CA 0.020 54.092 54.000 0.121 0.000 0.979 779 D CB 0.006 40.845 40.800 0.065 0.000 1.101 779 D HN 0.505 nan 8.370 nan 0.000 0.505 780 T N -3.090 111.510 114.554 0.075 0.000 3.007 780 T HA -0.155 4.195 4.350 0.000 0.000 0.270 780 T C 1.230 175.965 174.700 0.058 0.000 1.107 780 T CA 0.980 63.117 62.100 0.061 0.000 1.118 780 T CB -0.430 68.460 68.868 0.036 0.000 0.889 780 T HN 0.402 nan 8.240 nan 0.000 0.506 781 N N 1.026 119.762 118.700 0.060 0.000 2.336 781 N HA 0.211 4.951 4.740 0.000 0.000 0.189 781 N C 1.340 176.898 175.510 0.081 0.000 1.113 781 N CA 0.631 53.713 53.050 0.054 0.000 0.858 781 N CB -0.347 38.162 38.487 0.036 0.000 0.970 781 N HN 0.600 nan 8.380 nan 0.000 0.471 782 G N -0.617 108.262 108.800 0.133 0.000 2.136 782 G HA2 -0.222 3.738 3.960 0.000 0.000 0.242 782 G HA3 -0.222 3.738 3.960 0.000 0.000 0.242 782 G C -0.467 174.596 174.900 0.272 0.000 0.989 782 G CA 0.432 45.666 45.100 0.223 0.000 0.682 782 G HN 0.200 nan 8.290 nan 0.000 0.522 783 V N 0.602 120.592 119.914 0.127 0.000 2.459 783 V HA 0.476 4.596 4.120 0.000 0.000 0.295 783 V C 1.072 177.056 176.094 -0.184 0.000 1.029 783 V CA -1.075 61.219 62.300 -0.010 0.000 0.874 783 V CB 1.553 33.370 31.823 -0.009 0.000 0.985 783 V HN 0.400 nan 8.190 nan 0.000 0.438 784 R N 2.473 122.717 120.500 -0.427 0.000 2.480 784 R HA 0.275 4.615 4.340 0.000 0.000 0.303 784 R C -0.175 175.993 176.300 -0.220 0.000 0.985 784 R CA 0.441 56.216 56.100 -0.543 0.000 1.051 784 R CB 0.129 30.122 30.300 -0.512 0.000 0.935 784 R HN 0.739 nan 8.270 nan 0.000 0.410 785 T N 2.452 116.932 114.554 -0.124 0.000 2.848 785 T HA 0.307 4.657 4.350 0.000 0.000 0.285 785 T C -0.726 174.029 174.700 0.092 0.000 0.995 785 T CA -0.643 61.460 62.100 0.004 0.000 0.970 785 T CB 1.808 70.705 68.868 0.050 0.000 0.976 785 T HN 0.152 nan 8.240 nan 0.000 0.441 786 V N 6.122 126.080 119.914 0.073 0.000 2.313 786 V HA 0.299 4.419 4.120 0.000 0.000 0.278 786 V C -1.568 174.588 176.094 0.103 0.000 1.017 786 V CA -1.376 60.989 62.300 0.108 0.000 0.823 786 V CB 1.266 33.130 31.823 0.069 0.000 1.010 786 V HN 0.756 nan 8.190 nan 0.000 0.443 787 P HA 0.227 nan 4.420 nan 0.000 0.245 787 P C 0.492 177.818 177.300 0.044 0.000 1.203 787 P CA 0.184 63.318 63.100 0.056 0.000 0.792 787 P CB 0.423 32.123 31.700 0.001 0.000 0.997 788 A N 2.112 124.969 122.820 0.062 0.000 2.371 788 A HA 0.468 4.788 4.320 0.000 0.000 0.257 788 A C -1.948 175.648 177.584 0.020 0.000 1.089 788 A CA -1.096 50.960 52.037 0.031 0.000 0.794 788 A CB -0.719 18.296 19.000 0.025 0.000 1.029 788 A HN 0.057 nan 8.150 nan 0.000 0.488 789 P HA 0.347 nan 4.420 nan 0.000 0.269 789 P C -0.719 176.570 177.300 -0.018 0.000 1.209 789 P CA 0.310 63.411 63.100 0.002 0.000 0.776 789 P CB 0.635 32.329 31.700 -0.009 0.000 0.876 790 M N 1.129 120.726 119.600 -0.005 0.000 2.465 790 M HA 0.257 4.737 4.480 0.000 0.000 0.284 790 M C -0.782 175.489 176.300 -0.049 0.000 1.212 790 M CA -0.604 54.653 55.300 -0.072 0.000 0.910 790 M CB 3.096 35.659 32.600 -0.061 0.000 1.725 790 M HN 0.208 nan 8.290 nan 0.000 0.477 791 E N 2.268 122.366 120.200 -0.170 0.000 2.176 791 E HA 0.472 4.822 4.350 0.000 0.000 0.267 791 E C -1.631 174.815 176.600 -0.256 0.000 0.893 791 E CA -0.203 56.142 56.400 -0.092 0.000 0.761 791 E CB 1.733 31.393 29.700 -0.066 0.000 1.133 791 E HN 0.408 nan 8.360 nan 0.000 0.409 792 F N 1.152 121.088 119.950 -0.023 0.000 2.361 792 F HA 0.152 4.679 4.527 0.000 0.000 0.364 792 F C 1.629 177.420 175.800 -0.016 0.000 1.117 792 F CA -0.424 57.556 58.000 -0.032 0.000 1.071 792 F CB 1.511 40.490 39.000 -0.035 0.000 1.188 792 F HN 0.333 nan 8.300 nan 0.000 0.464 793 T N -0.901 113.711 114.554 0.097 0.000 3.022 793 T HA 0.278 4.628 4.350 0.000 0.000 0.250 793 T C 0.936 175.681 174.700 0.075 0.000 1.060 793 T CA 0.060 62.214 62.100 0.089 0.000 1.013 793 T CB -0.028 68.896 68.868 0.093 0.000 0.982 793 T HN 0.565 nan 8.240 nan 0.000 0.508 794 G N 0.970 109.801 108.800 0.051 0.000 2.537 794 G HA2 0.450 4.410 3.960 0.000 0.000 0.273 794 G HA3 0.450 4.410 3.960 0.000 0.000 0.273 794 G C -0.949 173.980 174.900 0.049 0.000 1.189 794 G CA -0.643 44.472 45.100 0.024 0.000 0.881 794 G HN 0.210 nan 8.290 nan 0.000 0.535 795 D N -0.457 119.966 120.400 0.038 0.000 2.493 795 D HA 0.177 4.817 4.640 0.000 0.000 0.240 795 D C -0.107 176.200 176.300 0.013 0.000 1.142 795 D CA 0.303 54.321 54.000 0.030 0.000 0.872 795 D CB 1.287 42.105 40.800 0.030 0.000 1.173 795 D HN -0.067 nan 8.370 nan 0.000 0.467 796 L N 1.981 123.201 121.223 -0.006 0.000 2.322 796 L HA 0.550 4.890 4.340 0.000 0.000 0.281 796 L C 0.475 177.316 176.870 -0.050 0.000 1.014 796 L CA -0.551 54.260 54.840 -0.049 0.000 0.815 796 L CB 1.847 43.846 42.059 -0.100 0.000 1.247 796 L HN 0.375 nan 8.230 nan 0.000 0.421 797 G N 5.151 113.918 108.800 -0.055 0.000 2.417 797 G HA2 0.642 4.602 3.960 0.000 0.000 0.320 797 G HA3 0.642 4.602 3.960 0.000 0.000 0.320 797 G C -1.075 173.783 174.900 -0.071 0.000 1.204 797 G CA -0.396 44.674 45.100 -0.050 0.000 0.923 797 G HN 0.470 nan 8.290 nan 0.000 0.466 798 L N 1.837 123.016 121.223 -0.072 0.000 2.319 798 L HA 0.731 5.071 4.340 0.000 0.000 0.267 798 L C 1.148 177.984 176.870 -0.057 0.000 1.011 798 L CA -1.002 53.790 54.840 -0.080 0.000 0.818 798 L CB 2.078 44.078 42.059 -0.098 0.000 1.316 798 L HN 0.648 nan 8.230 nan 0.000 0.432 799 G N -1.361 107.415 108.800 -0.041 0.000 3.182 799 G HA2 0.071 4.031 3.960 0.000 0.000 0.167 799 G HA3 0.071 4.031 3.960 0.000 0.000 0.167 799 G C -0.307 174.589 174.900 -0.006 0.000 1.537 799 G CA -0.219 44.874 45.100 -0.012 0.000 1.046 799 G HN 0.611 nan 8.290 nan 0.000 0.580 800 H N -0.087 118.955 119.070 -0.048 0.000 2.886 800 H HA 0.330 4.886 4.556 0.000 0.000 0.329 800 H C -0.959 174.340 175.328 -0.049 0.000 1.044 800 H CA 0.263 56.283 56.048 -0.047 0.000 1.456 800 H CB 0.613 30.351 29.762 -0.039 0.000 1.464 800 H HN -0.030 nan 8.280 nan 0.000 0.573 801 V N 5.596 125.289 119.914 -0.367 0.000 2.487 801 V HA 0.179 4.299 4.120 0.000 0.000 0.298 801 V C -0.030 175.958 176.094 -0.177 0.000 1.028 801 V CA -0.701 61.495 62.300 -0.173 0.000 0.860 801 V CB 2.020 33.750 31.823 -0.155 0.000 0.991 801 V HN 0.843 nan 8.190 nan 0.000 0.427 802 T N 6.101 120.646 114.554 -0.015 0.000 2.786 802 T HA 0.542 4.892 4.350 0.000 0.000 0.283 802 T C -0.272 174.424 174.700 -0.007 0.000 0.992 802 T CA -0.313 61.794 62.100 0.012 0.000 0.954 802 T CB 0.870 69.789 68.868 0.085 0.000 0.934 802 T HN 0.325 nan 8.240 nan 0.000 0.440 803 I N 4.268 124.828 120.570 -0.016 0.000 2.301 803 I HA 0.301 4.471 4.170 0.000 0.000 0.292 803 I C 0.911 177.028 176.117 -0.000 0.000 1.046 803 I CA -0.451 60.842 61.300 -0.011 0.000 1.282 803 I CB 0.229 38.221 38.000 -0.015 0.000 1.409 803 I HN 0.414 nan 8.210 nan 0.000 0.484 804 R N 3.836 124.337 120.500 0.003 0.000 2.528 804 R HA 0.556 4.896 4.340 0.000 0.000 0.271 804 R C 0.109 176.412 176.300 0.004 0.000 1.056 804 R CA -0.713 55.391 56.100 0.006 0.000 1.117 804 R CB 1.026 31.330 30.300 0.006 0.000 1.085 804 R HN 0.700 nan 8.270 nan 0.000 0.530 805 A N 1.063 123.886 122.820 0.005 0.000 2.566 805 A HA 0.043 4.363 4.320 0.000 0.000 0.245 805 A C 0.920 178.506 177.584 0.004 0.000 1.056 805 A CA 0.577 52.616 52.037 0.004 0.000 0.757 805 A CB -0.037 18.965 19.000 0.004 0.000 0.979 805 A HN 0.876 nan 8.150 nan 0.000 0.508 806 S N 0.631 116.333 115.700 0.004 0.000 2.661 806 S HA 0.240 4.710 4.470 0.000 0.000 0.275 806 S C 0.316 174.918 174.600 0.004 0.000 1.075 806 S CA 0.501 58.703 58.200 0.004 0.000 1.251 806 S CB 0.274 63.477 63.200 0.006 0.000 1.167 806 S HN 0.689 nan 8.310 nan 0.000 0.648 807 T N 1.986 116.542 114.554 0.005 0.000 2.893 807 T HA 0.682 5.032 4.350 0.000 0.000 0.293 807 T C -0.646 174.056 174.700 0.005 0.000 1.027 807 T CA 0.170 62.273 62.100 0.005 0.000 0.988 807 T CB 1.502 70.374 68.868 0.007 0.000 1.043 807 T HN 0.673 nan 8.240 nan 0.000 0.461 808 S N 2.766 118.469 115.700 0.005 0.000 3.681 808 S HA -0.198 4.272 4.470 0.000 0.000 0.473 808 S C 0.612 175.214 174.600 0.003 0.000 0.830 808 S CA 0.616 58.819 58.200 0.004 0.000 1.355 808 S CB -1.822 61.381 63.200 0.004 0.000 0.892 808 S HN 1.532 nan 8.310 nan 0.000 0.649 809 S N 1.880 117.582 115.700 0.003 0.000 3.549 809 S HA -0.244 4.226 4.470 0.000 0.000 0.366 809 S C 0.578 175.179 174.600 0.001 0.000 1.012 809 S CA 1.056 59.257 58.200 0.002 0.000 1.141 809 S CB -1.679 61.522 63.200 0.001 0.000 0.910 809 S HN 1.300 nan 8.310 nan 0.000 0.471 810 N N -1.578 117.123 118.700 0.002 0.000 2.693 810 N HA -0.242 4.498 4.740 0.000 0.000 0.249 810 N C 0.584 176.095 175.510 0.002 0.000 1.119 810 N CA 1.133 54.184 53.050 0.002 0.000 0.717 810 N CB -1.470 37.017 38.487 0.001 0.000 1.071 810 N HN 0.759 nan 8.380 nan 0.000 0.555 811 I N -0.207 120.364 120.570 0.002 0.000 2.394 811 I HA -0.170 4.000 4.170 0.000 0.000 0.251 811 I C 1.215 177.334 176.117 0.003 0.000 1.136 811 I CA 1.078 62.380 61.300 0.002 0.000 1.425 811 I CB 0.232 38.233 38.000 0.002 0.000 1.079 811 I HN 0.270 nan 8.210 nan 0.000 0.425 812 R N -0.122 120.380 120.500 0.004 0.000 2.807 812 R HA 0.492 4.832 4.340 0.000 0.000 0.276 812 R C -0.633 175.670 176.300 0.005 0.000 0.979 812 R CA -0.675 55.428 56.100 0.004 0.000 0.928 812 R CB 1.283 31.586 30.300 0.005 0.000 1.191 812 R HN -0.014 nan 8.270 nan 0.000 0.471 813 S N 0.304 116.007 115.700 0.005 0.000 2.585 813 S HA 0.358 4.828 4.470 0.000 0.000 0.277 813 S C -0.418 174.185 174.600 0.006 0.000 1.241 813 S CA -0.773 57.430 58.200 0.005 0.000 1.041 813 S CB 1.423 64.625 63.200 0.004 0.000 0.987 813 S HN 0.757 nan 8.310 nan 0.000 0.512 814 E N 0.946 121.150 120.200 0.006 0.000 2.304 814 E HA 0.527 4.877 4.350 0.000 0.000 0.277 814 E C -2.012 174.593 176.600 0.008 0.000 0.898 814 E CA -0.769 55.636 56.400 0.008 0.000 0.764 814 E CB 1.838 31.544 29.700 0.009 0.000 1.216 814 E HN 0.541 nan 8.360 nan 0.000 0.419 815 V N 4.907 124.826 119.914 0.009 0.000 2.444 815 V HA 0.391 4.511 4.120 0.000 0.000 0.294 815 V C -0.827 175.276 176.094 0.015 0.000 1.022 815 V CA -0.829 61.477 62.300 0.010 0.000 0.850 815 V CB 1.318 33.145 31.823 0.007 0.000 0.992 815 V HN 0.598 nan 8.190 nan 0.000 0.426 816 L N 5.799 127.032 121.223 0.017 0.000 2.317 816 L HA 0.625 4.965 4.340 0.000 0.000 0.281 816 L C -0.028 176.856 176.870 0.023 0.000 1.024 816 L CA -0.262 54.590 54.840 0.021 0.000 0.810 816 L CB 1.600 43.672 42.059 0.022 0.000 1.240 816 L HN 0.564 nan 8.230 nan 0.000 0.427 817 M N 2.970 122.586 119.600 0.027 0.000 2.205 817 M HA 0.413 4.893 4.480 0.000 0.000 0.344 817 M C 0.117 176.434 176.300 0.029 0.000 1.085 817 M CA -0.405 54.912 55.300 0.028 0.000 1.001 817 M CB 1.910 34.531 32.600 0.035 0.000 1.626 817 M HN 0.558 nan 8.290 nan 0.000 0.442 818 E N 1.038 121.251 120.200 0.022 0.000 3.262 818 E HA 0.766 5.116 4.350 0.000 0.000 0.257 818 E C 0.367 176.971 176.600 0.008 0.000 1.195 818 E CA -0.394 56.019 56.400 0.021 0.000 1.160 818 E CB 0.937 30.651 29.700 0.022 0.000 1.416 818 E HN 0.859 nan 8.360 nan 0.000 0.630 819 G N 0.747 109.552 108.800 0.009 0.000 2.741 819 G HA2 -0.340 3.620 3.960 0.000 0.000 0.222 819 G HA3 -0.340 3.620 3.960 0.000 0.000 0.222 819 G C 0.495 175.413 174.900 0.030 0.000 1.364 819 G CA 0.356 45.453 45.100 -0.005 0.000 0.866 819 G HN 0.679 nan 8.290 nan 0.000 0.555 820 E N -1.101 119.129 120.200 0.050 0.000 2.107 820 E HA 0.074 4.425 4.350 0.000 0.000 0.191 820 E C 0.891 177.640 176.600 0.249 0.000 0.982 820 E CA 1.646 58.136 56.400 0.150 0.000 0.809 820 E CB -0.010 29.820 29.700 0.217 0.000 0.756 820 E HN 0.883 nan 8.360 nan 0.000 0.459 821 Y N -2.664 117.669 120.300 0.055 0.000 2.625 821 Y HA 0.683 5.233 4.550 0.000 0.000 0.338 821 Y C -0.265 175.687 175.900 0.087 0.000 1.123 821 Y CA -1.091 57.050 58.100 0.068 0.000 1.046 821 Y CB 0.866 39.369 38.460 0.073 0.000 1.299 821 Y HN -0.134 nan 8.280 nan 0.000 0.464 822 G N 1.035 109.945 108.800 0.184 0.000 2.389 822 G HA2 0.548 4.508 3.960 0.000 0.000 0.328 822 G HA3 0.548 4.508 3.960 0.000 0.000 0.328 822 G C -2.334 172.736 174.900 0.283 0.000 1.133 822 G CA -0.776 44.395 45.100 0.119 0.000 0.891 822 G HN 0.784 nan 8.290 nan 0.000 0.485 823 F N 1.927 121.912 119.950 0.059 0.000 2.536 823 F HA 0.667 5.195 4.527 0.000 0.000 0.322 823 F C -0.861 174.986 175.800 0.078 0.000 1.144 823 F CA -1.109 56.959 58.000 0.112 0.000 0.924 823 F CB 1.537 40.611 39.000 0.124 0.000 1.181 823 F HN 0.257 nan 8.300 nan 0.000 0.438 824 I N 6.210 126.415 120.570 -0.608 0.000 2.382 824 I HA 0.640 4.810 4.170 0.000 0.000 0.286 824 I C 0.130 175.758 176.117 -0.815 0.000 1.002 824 I CA -0.496 60.505 61.300 -0.498 0.000 1.135 824 I CB 1.413 39.335 38.000 -0.130 0.000 1.288 824 I HN 0.762 nan 8.210 nan 0.000 0.448 825 G N 4.307 112.673 108.800 -0.723 0.000 2.949 825 G HA2 0.665 4.625 3.960 0.000 0.000 0.285 825 G HA3 0.665 4.625 3.960 0.000 0.000 0.285 825 G C -1.668 173.158 174.900 -0.123 0.000 1.395 825 G CA -0.549 44.269 45.100 -0.471 0.000 0.901 825 G HN 0.348 nan 8.290 nan 0.000 0.519 826 K N 0.517 120.909 120.400 -0.012 0.000 2.502 826 K HA 0.536 4.856 4.320 0.000 0.000 0.254 826 K C 0.444 177.066 176.600 0.037 0.000 0.947 826 K CA -0.453 55.826 56.287 -0.014 0.000 0.834 826 K CB 1.184 33.660 32.500 -0.041 0.000 1.112 826 K HN 0.751 nan 8.250 nan 0.000 0.427 827 S N 3.953 119.668 115.700 0.026 0.000 2.573 827 S HA 0.206 4.676 4.470 0.000 0.000 0.277 827 S C 0.598 175.211 174.600 0.022 0.000 1.346 827 S CA -0.564 57.657 58.200 0.034 0.000 1.034 827 S CB 0.044 63.255 63.200 0.019 0.000 0.879 827 S HN 0.563 nan 8.310 nan 0.000 0.528 828 I N 3.040 123.626 120.570 0.027 0.000 2.662 828 I HA 0.145 4.315 4.170 0.000 0.000 0.285 828 I C -1.934 174.189 176.117 0.009 0.000 1.161 828 I CA -1.571 59.740 61.300 0.020 0.000 1.415 828 I CB -0.165 37.849 38.000 0.023 0.000 1.385 828 I HN 0.502 nan 8.210 nan 0.000 0.552 829 P HA 0.058 nan 4.420 nan 0.000 0.268 829 P C 0.600 177.901 177.300 0.001 0.000 1.205 829 P CA -0.051 63.046 63.100 -0.004 0.000 0.771 829 P CB 0.668 32.363 31.700 -0.008 0.000 0.858 830 T N 0.199 114.752 114.554 -0.002 0.000 2.701 830 T HA -0.104 4.246 4.350 0.000 0.000 0.263 830 T C 0.996 175.697 174.700 0.000 0.000 1.040 830 T CA 1.559 63.659 62.100 0.000 0.000 1.147 830 T CB -0.400 68.467 68.868 -0.001 0.000 0.865 830 T HN 0.444 nan 8.240 nan 0.000 0.426 831 D N 0.550 120.949 120.400 -0.002 0.000 2.197 831 D HA 0.053 4.694 4.640 0.000 0.000 0.212 831 D C 1.124 177.425 176.300 0.001 0.000 0.963 831 D CA 0.739 54.739 54.000 -0.001 0.000 0.864 831 D CB -0.073 40.725 40.800 -0.003 0.000 1.009 831 D HN 0.320 nan 8.370 nan 0.000 0.479 832 N N 0.571 119.271 118.700 -0.001 0.000 2.813 832 N HA 0.105 4.845 4.740 0.000 0.000 0.282 832 N C -2.032 173.480 175.510 0.004 0.000 1.748 832 N CA -1.391 51.660 53.050 0.002 0.000 0.860 832 N CB 1.370 39.857 38.487 -0.000 0.000 1.204 832 N HN -0.163 nan 8.380 nan 0.000 0.490 833 P HA -0.135 nan 4.420 nan 0.000 0.219 833 P C 1.067 178.378 177.300 0.020 0.000 1.146 833 P CA 0.844 63.951 63.100 0.012 0.000 0.808 833 P CB 0.223 31.931 31.700 0.014 0.000 0.779 834 A N 0.078 122.911 122.820 0.022 0.000 2.172 834 A HA 0.055 4.375 4.320 0.000 0.000 0.216 834 A C 2.313 179.923 177.584 0.045 0.000 1.154 834 A CA 1.470 53.527 52.037 0.034 0.000 0.701 834 A CB -1.472 17.545 19.000 0.029 0.000 0.789 834 A HN 0.334 nan 8.150 nan 0.000 0.465 835 G N -1.316 107.499 108.800 0.025 0.000 3.042 835 G HA2 0.124 4.084 3.960 0.000 0.000 0.212 835 G HA3 0.124 4.084 3.960 0.000 0.000 0.212 835 G C 0.634 175.524 174.900 -0.018 0.000 1.166 835 G CA 0.104 45.211 45.100 0.011 0.000 0.767 835 G HN 0.594 nan 8.290 nan 0.000 0.546 836 Q N 1.360 121.159 119.800 -0.003 0.000 2.262 836 Q HA 0.184 4.524 4.340 0.000 0.000 0.298 836 Q C 0.259 176.217 176.000 -0.070 0.000 1.083 836 Q CA 0.272 56.060 55.803 -0.025 0.000 0.962 836 Q CB 0.158 28.901 28.738 0.008 0.000 1.104 836 Q HN 0.591 nan 8.270 nan 0.000 0.376 837 R N 2.980 123.396 120.500 -0.139 0.000 2.765 837 R HA 0.444 4.784 4.340 0.000 0.000 0.277 837 R C -1.756 174.401 176.300 -0.237 0.000 1.028 837 R CA -0.848 55.106 56.100 -0.243 0.000 0.860 837 R CB 0.656 30.641 30.300 -0.525 0.000 1.270 837 R HN 0.504 nan 8.270 nan 0.000 0.484 838 I N 2.149 122.564 120.570 -0.259 0.000 2.436 838 I HA 0.414 4.584 4.170 0.000 0.000 0.289 838 I C -0.269 175.605 176.117 -0.406 0.000 1.010 838 I CA -1.115 59.958 61.300 -0.378 0.000 1.098 838 I CB 2.117 39.813 38.000 -0.506 0.000 1.266 838 I HN 0.421 nan 8.210 nan 0.000 0.434 839 I N 6.102 126.427 120.570 -0.408 0.000 2.315 839 I HA 0.298 4.468 4.170 0.000 0.000 0.291 839 I C -0.796 175.099 176.117 -0.370 0.000 1.006 839 I CA -0.291 60.847 61.300 -0.270 0.000 1.265 839 I CB 0.609 38.504 38.000 -0.175 0.000 1.387 839 I HN 0.307 nan 8.210 nan 0.000 0.475 840 F N 5.565 125.472 119.950 -0.071 0.000 2.420 840 F HA 0.475 5.002 4.527 -0.000 0.000 0.342 840 F C 0.253 176.034 175.800 -0.032 0.000 1.113 840 F CA -0.505 57.465 58.000 -0.051 0.000 1.059 840 F CB 1.402 40.375 39.000 -0.044 0.000 1.128 840 F HN 0.384 nan 8.300 nan 0.000 0.475 841 C N 2.184 121.555 119.300 0.119 0.000 2.609 841 C HA 0.636 5.096 4.460 0.000 0.000 0.313 841 C C 1.225 176.249 174.990 0.056 0.000 1.175 841 C CA -0.415 58.644 59.018 0.068 0.000 1.434 841 C CB 0.797 28.550 27.740 0.022 0.000 2.005 841 C HN 1.032 nan 8.230 nan 0.000 0.471 842 G N 2.715 111.543 108.800 0.046 0.000 2.920 842 G HA2 0.438 4.398 3.960 0.000 0.000 0.208 842 G HA3 0.438 4.398 3.960 0.000 0.000 0.208 842 G C 0.604 175.515 174.900 0.019 0.000 1.159 842 G CA 0.808 45.926 45.100 0.030 0.000 0.784 842 G HN 1.157 nan 8.290 nan 0.000 0.535 843 G N -0.352 108.458 108.800 0.017 0.000 3.140 843 G HA2 0.472 4.432 3.960 0.000 0.000 0.271 843 G HA3 0.472 4.432 3.960 0.000 0.000 0.271 843 G C 0.502 175.408 174.900 0.009 0.000 1.370 843 G CA 0.140 45.246 45.100 0.011 0.000 1.014 843 G HN 0.195 nan 8.290 nan 0.000 0.541 844 E N -1.565 118.640 120.200 0.007 0.000 2.385 844 E HA 0.314 4.664 4.350 0.000 0.000 0.194 844 E C 0.965 177.569 176.600 0.007 0.000 1.013 844 E CA 0.380 56.785 56.400 0.008 0.000 0.866 844 E CB 0.343 30.048 29.700 0.009 0.000 0.832 844 E HN 0.546 nan 8.360 nan 0.000 0.500 845 G N 0.086 108.888 108.800 0.002 0.000 2.658 845 G HA2 0.291 4.251 3.960 0.000 0.000 0.292 845 G HA3 0.291 4.251 3.960 0.000 0.000 0.292 845 G C 0.523 175.418 174.900 -0.008 0.000 1.320 845 G CA -0.081 45.019 45.100 -0.001 0.000 0.933 845 G HN 0.042 nan 8.290 nan 0.000 0.476 846 T N -2.214 112.332 114.554 -0.015 0.000 2.962 846 T HA 0.018 4.369 4.350 0.000 0.000 0.270 846 T C 1.523 176.217 174.700 -0.011 0.000 1.088 846 T CA 1.118 63.204 62.100 -0.024 0.000 1.127 846 T CB -0.104 68.745 68.868 -0.031 0.000 0.883 846 T HN 0.589 nan 8.240 nan 0.000 0.493 847 S N 1.768 117.466 115.700 -0.003 0.000 2.531 847 S HA 0.249 4.719 4.470 0.000 0.000 0.279 847 S C 1.582 176.189 174.600 0.011 0.000 1.305 847 S CA -0.115 58.088 58.200 0.005 0.000 1.058 847 S CB 0.676 63.879 63.200 0.006 0.000 0.899 847 S HN 0.565 nan 8.310 nan 0.000 0.493 848 S N 3.593 119.304 115.700 0.019 0.000 2.500 848 S HA -0.092 4.378 4.470 0.000 0.000 0.239 848 S C 1.635 176.247 174.600 0.021 0.000 0.989 848 S CA 1.302 59.518 58.200 0.026 0.000 0.951 848 S CB -0.812 62.412 63.200 0.041 0.000 0.759 848 S HN 0.775 nan 8.310 nan 0.000 0.523 849 T N 2.728 117.291 114.554 0.016 0.000 2.803 849 T HA -0.107 4.244 4.350 0.000 0.000 0.269 849 T C 2.088 176.794 174.700 0.009 0.000 1.052 849 T CA 1.952 64.059 62.100 0.012 0.000 1.136 849 T CB -0.842 68.032 68.868 0.010 0.000 0.864 849 T HN 0.909 nan 8.240 nan 0.000 0.467 850 T N -1.533 113.027 114.554 0.009 0.000 3.067 850 T HA 0.448 4.798 4.350 0.000 0.000 0.261 850 T C 0.870 175.574 174.700 0.008 0.000 1.110 850 T CA 0.477 62.581 62.100 0.007 0.000 1.113 850 T CB 0.202 69.074 68.868 0.006 0.000 0.917 850 T HN 0.504 nan 8.240 nan 0.000 0.499 851 G N -0.018 108.788 108.800 0.011 0.000 2.325 851 G HA2 0.523 4.483 3.960 0.000 0.000 0.297 851 G HA3 0.523 4.483 3.960 0.000 0.000 0.297 851 G C -0.980 173.932 174.900 0.019 0.000 1.448 851 G CA -0.599 44.508 45.100 0.012 0.000 0.838 851 G HN 0.495 nan 8.290 nan 0.000 0.579 852 A N -0.269 122.561 122.820 0.017 0.000 2.483 852 A HA 0.613 4.933 4.320 0.000 0.000 0.238 852 A C 0.368 177.989 177.584 0.061 0.000 1.070 852 A CA 0.554 52.609 52.037 0.031 0.000 0.770 852 A CB 0.268 19.276 19.000 0.013 0.000 1.008 852 A HN 0.703 nan 8.150 nan 0.000 0.497 853 Q N 0.087 119.942 119.800 0.092 0.000 2.389 853 Q HA 0.652 4.992 4.340 0.000 0.000 0.277 853 Q C -1.525 174.555 176.000 0.134 0.000 1.082 853 Q CA -0.427 55.439 55.803 0.105 0.000 0.810 853 Q CB 2.553 31.338 28.738 0.077 0.000 1.374 853 Q HN 0.704 nan 8.270 nan 0.000 0.422 854 I N 1.164 121.817 120.570 0.137 0.000 2.466 854 I HA 0.370 4.540 4.170 0.000 0.000 0.289 854 I C -0.732 175.459 176.117 0.123 0.000 1.026 854 I CA -0.494 60.851 61.300 0.074 0.000 1.078 854 I CB 2.373 40.388 38.000 0.025 0.000 1.249 854 I HN 0.460 nan 8.210 nan 0.000 0.429 855 T N 7.098 121.670 114.554 0.031 0.000 2.770 855 T HA 0.542 4.892 4.350 0.000 0.000 0.283 855 T C -0.265 174.445 174.700 0.016 0.000 0.988 855 T CA -0.460 61.636 62.100 -0.006 0.000 0.957 855 T CB 0.873 69.685 68.868 -0.094 0.000 0.930 855 T HN 0.261 nan 8.240 nan 0.000 0.443 856 L N 4.107 125.352 121.223 0.035 0.000 2.265 856 L HA 0.474 4.814 4.340 0.000 0.000 0.289 856 L C -0.644 176.234 176.870 0.014 0.000 1.033 856 L CA -0.967 53.924 54.840 0.086 0.000 0.814 856 L CB 0.404 42.549 42.059 0.143 0.000 1.203 856 L HN 0.633 nan 8.230 nan 0.000 0.423 857 Y N 1.271 121.570 120.300 -0.002 0.000 2.308 857 Y HA 0.414 4.965 4.550 0.000 0.000 0.329 857 Y C 1.230 177.137 175.900 0.012 0.000 1.111 857 Y CA -0.371 57.729 58.100 -0.001 0.000 1.179 857 Y CB 1.523 39.979 38.460 -0.007 0.000 1.201 857 Y HN 0.652 nan 8.280 nan 0.000 0.483 858 G N 0.640 109.514 108.800 0.123 0.000 2.634 858 G HA2 0.305 4.265 3.960 0.000 0.000 0.255 858 G HA3 0.305 4.265 3.960 0.000 0.000 0.255 858 G C 0.781 175.740 174.900 0.099 0.000 1.205 858 G CA -0.085 45.071 45.100 0.092 0.000 0.884 858 G HN 0.871 nan 8.290 nan 0.000 0.549 859 A N 0.210 123.075 122.820 0.075 0.000 2.067 859 A HA -0.061 4.259 4.320 0.000 0.000 0.219 859 A C 2.047 179.662 177.584 0.051 0.000 1.158 859 A CA 1.619 53.691 52.037 0.059 0.000 0.661 859 A CB -0.340 18.688 19.000 0.047 0.000 0.801 859 A HN 0.664 nan 8.150 nan 0.000 0.452 860 N N 0.187 118.918 118.700 0.052 0.000 2.446 860 N HA -0.026 4.714 4.740 0.000 0.000 0.179 860 N C 0.627 176.168 175.510 0.052 0.000 1.054 860 N CA -0.049 53.027 53.050 0.043 0.000 0.905 860 N CB -0.088 38.420 38.487 0.035 0.000 0.973 860 N HN 0.403 nan 8.380 nan 0.000 0.448 861 N N 0.745 119.492 118.700 0.078 0.000 2.407 861 N HA -0.039 4.701 4.740 0.000 0.000 0.250 861 N C 0.695 176.252 175.510 0.078 0.000 1.236 861 N CA 0.511 53.626 53.050 0.109 0.000 0.879 861 N CB 0.745 39.367 38.487 0.225 0.000 1.088 861 N HN 0.048 nan 8.380 nan 0.000 0.450 862 T N 1.178 115.774 114.554 0.070 0.000 2.685 862 T HA -0.170 4.180 4.350 0.000 0.000 0.268 862 T C -0.038 174.668 174.700 0.011 0.000 1.034 862 T CA 1.292 63.414 62.100 0.038 0.000 1.149 862 T CB -0.124 68.766 68.868 0.037 0.000 0.860 862 T HN 0.533 nan 8.240 nan 0.000 0.449 863 D N 2.213 122.613 120.400 0.001 0.000 2.564 863 D HA 0.236 4.876 4.640 0.000 0.000 0.226 863 D C -0.334 175.926 176.300 -0.066 0.000 1.149 863 D CA 0.044 53.980 54.000 -0.107 0.000 0.994 863 D CB 0.489 41.100 40.800 -0.316 0.000 1.029 863 D HN 0.113 nan 8.370 nan 0.000 0.517 864 S N 1.529 117.220 115.700 -0.014 0.000 2.546 864 S HA -0.061 4.409 4.470 0.000 0.000 0.290 864 S C 1.049 175.660 174.600 0.018 0.000 1.262 864 S CA 0.037 58.251 58.200 0.024 0.000 1.083 864 S CB 0.029 63.239 63.200 0.017 0.000 0.859 864 S HN 0.479 nan 8.310 nan 0.000 0.495 865 R N 0.541 121.082 120.500 0.069 0.000 3.953 865 R HA -0.197 4.143 4.340 0.000 0.000 0.340 865 R C 0.319 176.643 176.300 0.041 0.000 1.195 865 R CA 1.038 57.179 56.100 0.070 0.000 0.929 865 R CB -1.725 28.599 30.300 0.041 0.000 1.402 865 R HN 0.777 nan 8.270 nan 0.000 0.540 866 R N 1.682 122.166 120.500 -0.028 0.000 2.643 866 R HA 0.299 4.639 4.340 0.000 0.000 0.270 866 R C -0.149 176.164 176.300 0.021 0.000 1.061 866 R CA 0.183 56.192 56.100 -0.152 0.000 1.107 866 R CB 0.495 30.457 30.300 -0.563 0.000 0.999 866 R HN 0.181 nan 8.270 nan 0.000 0.460 867 I N 4.072 124.636 120.570 -0.010 0.000 2.433 867 I HA 0.271 4.441 4.170 0.000 0.000 0.292 867 I C -0.770 175.272 176.117 -0.126 0.000 1.001 867 I CA -1.167 60.097 61.300 -0.061 0.000 1.119 867 I CB 2.185 40.044 38.000 -0.235 0.000 1.289 867 I HN 0.324 nan 8.210 nan 0.000 0.438 868 V N 6.642 126.513 119.914 -0.071 0.000 2.409 868 V HA 0.344 4.464 4.120 0.000 0.000 0.291 868 V C -0.942 175.082 176.094 -0.116 0.000 1.020 868 V CA -0.634 61.659 62.300 -0.011 0.000 0.848 868 V CB 1.165 33.073 31.823 0.142 0.000 0.990 868 V HN 0.422 nan 8.190 nan 0.000 0.430 869 Y N 3.231 123.598 120.300 0.111 0.000 2.335 869 Y HA 0.425 4.975 4.550 0.000 0.000 0.339 869 Y C 0.534 176.590 175.900 0.260 0.000 0.987 869 Y CA -0.343 57.841 58.100 0.140 0.000 1.140 869 Y CB 0.946 39.410 38.460 0.007 0.000 1.173 869 Y HN 0.641 nan 8.280 nan 0.000 0.486 870 N N 2.619 121.561 118.700 0.403 0.000 2.623 870 N HA 0.582 5.322 4.740 0.000 0.000 0.256 870 N C -0.759 174.860 175.510 0.181 0.000 1.045 870 N CA -0.266 52.965 53.050 0.302 0.000 0.863 870 N CB 0.625 39.217 38.487 0.176 0.000 1.182 870 N HN 0.904 nan 8.380 nan 0.000 0.523 871 G N 0.979 109.785 108.800 0.009 0.000 2.680 871 G HA2 0.181 4.141 3.960 0.000 0.000 0.290 871 G HA3 0.181 4.141 3.960 0.000 0.000 0.290 871 G C -0.283 174.470 174.900 -0.244 0.000 1.355 871 G CA -0.382 44.597 45.100 -0.201 0.000 0.903 871 G HN 0.428 nan 8.290 nan 0.000 0.474 872 D N -0.333 119.969 120.400 -0.162 0.000 2.348 872 D HA 0.127 4.767 4.640 0.000 0.000 0.211 872 D C 0.380 176.594 176.300 -0.143 0.000 0.998 872 D CA 0.915 54.847 54.000 -0.113 0.000 0.873 872 D CB 0.709 41.474 40.800 -0.058 0.000 0.925 872 D HN 0.505 nan 8.370 nan 0.000 0.524 873 E N -0.357 119.705 120.200 -0.230 0.000 2.331 873 E HA 0.263 4.613 4.350 0.000 0.000 0.275 873 E C -0.827 175.567 176.600 -0.343 0.000 0.895 873 E CA -0.652 55.628 56.400 -0.200 0.000 0.753 873 E CB 2.058 31.695 29.700 -0.104 0.000 1.216 873 E HN 0.034 nan 8.360 nan 0.000 0.434 874 H N 2.716 121.786 119.070 0.001 0.000 2.792 874 H HA 0.355 4.911 4.556 0.000 0.000 0.298 874 H C -0.877 174.409 175.328 -0.070 0.000 1.042 874 H CA -0.381 55.638 56.048 -0.049 0.000 1.300 874 H CB 0.508 30.304 29.762 0.056 0.000 1.431 874 H HN 0.288 nan 8.280 nan 0.000 0.496 875 L N 4.001 125.163 121.223 -0.101 0.000 2.319 875 L HA 0.355 4.695 4.340 0.000 0.000 0.281 875 L C -0.533 176.217 176.870 -0.200 0.000 1.005 875 L CA -0.669 54.132 54.840 -0.064 0.000 0.828 875 L CB 1.223 43.253 42.059 -0.049 0.000 1.227 875 L HN 0.326 nan 8.230 nan 0.000 0.415 876 F N 2.282 122.232 119.950 0.001 0.000 2.361 876 F HA 0.362 4.889 4.527 0.000 0.000 0.364 876 F C 0.526 176.320 175.800 -0.011 0.000 1.120 876 F CA -0.171 57.823 58.000 -0.011 0.000 1.102 876 F CB 1.334 40.317 39.000 -0.030 0.000 1.183 876 F HN 0.479 nan 8.300 nan 0.000 0.476 877 Q N 1.582 121.439 119.800 0.094 0.000 2.235 877 Q HA 0.405 4.745 4.340 0.000 0.000 0.256 877 Q C 0.578 176.618 176.000 0.066 0.000 0.951 877 Q CA -0.073 55.764 55.803 0.056 0.000 0.890 877 Q CB 1.387 30.131 28.738 0.012 0.000 1.279 877 Q HN 0.830 nan 8.270 nan 0.000 0.444 878 S N -0.497 115.232 115.700 0.047 0.000 2.524 878 S HA -0.241 4.229 4.470 0.000 0.000 0.254 878 S C -0.473 174.149 174.600 0.037 0.000 1.258 878 S CA 1.004 59.226 58.200 0.036 0.000 1.448 878 S CB -1.438 61.780 63.200 0.030 0.000 1.806 878 S HN 0.982 nan 8.310 nan 0.000 0.630 879 A N 0.321 123.172 122.820 0.052 0.000 2.612 879 A HA 0.603 4.923 4.320 0.000 0.000 0.293 879 A C -1.514 176.086 177.584 0.027 0.000 1.075 879 A CA -0.707 51.352 52.037 0.036 0.000 0.680 879 A CB 0.825 19.849 19.000 0.040 0.000 1.279 879 A HN 0.066 nan 8.150 nan 0.000 0.411 880 D N 0.594 120.990 120.400 -0.006 0.000 2.423 880 D HA 0.290 4.930 4.640 0.000 0.000 0.238 880 D C 0.026 176.275 176.300 -0.085 0.000 1.142 880 D CA 0.400 54.374 54.000 -0.042 0.000 0.884 880 D CB 0.945 41.718 40.800 -0.045 0.000 1.199 880 D HN 0.188 nan 8.370 nan 0.000 0.438 881 V N 3.627 123.441 119.914 -0.167 0.000 2.389 881 V HA 0.133 4.253 4.120 0.000 0.000 0.264 881 V C 0.625 176.603 176.094 -0.193 0.000 1.049 881 V CA 0.032 62.154 62.300 -0.298 0.000 0.932 881 V CB 0.133 31.643 31.823 -0.522 0.000 1.011 881 V HN 0.279 nan 8.190 nan 0.000 0.475 882 K N 5.471 125.788 120.400 -0.138 0.000 2.385 882 K HA 0.617 4.937 4.320 0.000 0.000 0.248 882 K C -2.449 174.123 176.600 -0.048 0.000 0.955 882 K CA -1.622 54.615 56.287 -0.083 0.000 0.816 882 K CB 2.313 34.776 32.500 -0.062 0.000 1.250 882 K HN 0.455 nan 8.250 nan 0.000 0.434 883 P HA 0.040 nan 4.420 nan 0.000 0.275 883 P C 0.109 177.443 177.300 0.058 0.000 1.228 883 P CA -0.236 62.880 63.100 0.027 0.000 0.786 883 P CB 0.562 32.275 31.700 0.021 0.000 0.927 884 Y N 2.611 122.903 120.300 -0.012 0.000 2.181 884 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 884 Y C 0.718 176.614 175.900 -0.006 0.000 1.146 884 Y CA 1.549 59.646 58.100 -0.005 0.000 1.164 884 Y CB 0.003 38.465 38.460 0.004 0.000 0.982 884 Y HN 0.450 nan 8.280 nan 0.000 0.515 885 N N -0.363 118.422 118.700 0.141 0.000 2.483 885 N HA 0.167 4.907 4.740 0.000 0.000 0.285 885 N C -1.698 173.821 175.510 0.015 0.000 1.210 885 N CA -0.694 52.394 53.050 0.062 0.000 0.931 885 N CB 0.833 39.395 38.487 0.125 0.000 1.220 885 N HN -0.034 nan 8.380 nan 0.000 0.542 886 D N 0.292 120.692 120.400 0.000 0.000 2.274 886 D HA 0.251 4.891 4.640 0.000 0.000 0.239 886 D C -0.597 175.705 176.300 0.003 0.000 1.104 886 D CA 0.023 54.019 54.000 -0.008 0.000 0.840 886 D CB 0.119 40.908 40.800 -0.018 0.000 1.100 886 D HN 0.431 nan 8.370 nan 0.000 0.477 887 N N 2.864 121.566 118.700 0.003 0.000 2.754 887 N HA -0.163 4.577 4.740 0.000 0.000 0.248 887 N C -0.121 175.397 175.510 0.012 0.000 1.093 887 N CA 0.752 53.805 53.050 0.005 0.000 0.699 887 N CB -0.963 37.525 38.487 0.002 0.000 1.016 887 N HN 0.285 nan 8.380 nan 0.000 0.552 888 V N -1.880 118.046 119.914 0.019 0.000 3.250 888 V HA 0.198 4.318 4.120 0.000 0.000 0.240 888 V C 0.979 177.089 176.094 0.026 0.000 1.275 888 V CA 1.540 63.856 62.300 0.026 0.000 1.206 888 V CB 0.902 32.750 31.823 0.040 0.000 0.976 888 V HN 0.552 nan 8.190 nan 0.000 0.467 889 T N -1.208 113.363 114.554 0.028 0.000 2.930 889 T HA 0.872 5.222 4.350 0.000 0.000 0.290 889 T C -0.429 174.285 174.700 0.023 0.000 1.052 889 T CA -0.113 62.003 62.100 0.027 0.000 1.017 889 T CB 2.489 71.378 68.868 0.035 0.000 1.137 889 T HN 0.326 nan 8.240 nan 0.000 0.511 890 A N 0.978 123.814 122.820 0.027 0.000 2.309 890 A HA 0.843 5.163 4.320 0.000 0.000 0.317 890 A C -0.754 176.864 177.584 0.057 0.000 1.134 890 A CA -1.118 50.939 52.037 0.033 0.000 0.866 890 A CB 0.802 19.820 19.000 0.030 0.000 1.329 890 A HN 0.860 nan 8.150 nan 0.000 0.477 891 L N 1.359 122.633 121.223 0.085 0.000 2.275 891 L HA 0.573 4.913 4.340 0.000 0.000 0.288 891 L C 1.016 178.022 176.870 0.227 0.000 1.046 891 L CA 0.708 55.661 54.840 0.190 0.000 0.805 891 L CB 0.856 43.008 42.059 0.154 0.000 1.193 891 L HN 1.353 nan 8.230 nan 0.000 0.426 892 G N 2.563 111.479 108.800 0.193 0.000 2.752 892 G HA2 0.116 4.076 3.960 0.000 0.000 0.234 892 G HA3 0.116 4.076 3.960 0.000 0.000 0.234 892 G C -0.193 174.678 174.900 -0.048 0.000 1.367 892 G CA -0.410 44.637 45.100 -0.088 0.000 0.879 892 G HN 1.087 nan 8.290 nan 0.000 0.563 893 G N -2.445 106.304 108.800 -0.085 0.000 2.682 893 G HA2 0.761 4.721 3.960 0.000 0.000 0.290 893 G HA3 0.761 4.721 3.960 0.000 0.000 0.290 893 G C -1.897 172.975 174.900 -0.047 0.000 1.425 893 G CA 0.272 45.343 45.100 -0.048 0.000 0.807 893 G HN 0.593 nan 8.290 nan 0.000 0.482 894 P HA 0.022 nan 4.420 nan 0.000 0.218 894 P C 1.413 178.694 177.300 -0.032 0.000 1.148 894 P CA 1.223 64.309 63.100 -0.025 0.000 0.822 894 P CB 0.375 32.065 31.700 -0.017 0.000 0.784 895 S N -1.622 114.053 115.700 -0.041 0.000 2.554 895 S HA 0.172 4.642 4.470 0.000 0.000 0.226 895 S C 0.235 174.796 174.600 -0.066 0.000 0.980 895 S CA -0.124 58.049 58.200 -0.044 0.000 0.939 895 S CB -0.569 62.609 63.200 -0.037 0.000 0.832 895 S HN 0.165 nan 8.310 nan 0.000 0.486 896 N N 1.625 120.268 118.700 -0.094 0.000 2.697 896 N HA 0.211 4.951 4.740 0.000 0.000 0.253 896 N C -0.989 174.385 175.510 -0.227 0.000 1.604 896 N CA -0.338 52.617 53.050 -0.158 0.000 0.772 896 N CB 0.841 39.223 38.487 -0.174 0.000 1.267 896 N HN 0.057 nan 8.380 nan 0.000 0.510 897 R N 0.376 120.784 120.500 -0.154 0.000 2.357 897 R HA 0.352 4.692 4.340 0.000 0.000 0.296 897 R C -0.412 175.800 176.300 -0.147 0.000 1.052 897 R CA -0.412 55.620 56.100 -0.114 0.000 0.988 897 R CB 0.963 31.247 30.300 -0.026 0.000 1.025 897 R HN 0.193 nan 8.270 nan 0.000 0.469 898 F N 0.855 120.811 119.950 0.010 0.000 2.484 898 F HA -0.044 4.483 4.527 0.000 0.000 0.360 898 F C 2.176 177.985 175.800 0.014 0.000 1.101 898 F CA 0.094 58.105 58.000 0.019 0.000 1.251 898 F CB 1.068 40.078 39.000 0.017 0.000 1.132 898 F HN 0.670 nan 8.300 nan 0.000 0.570 899 T N -1.576 113.111 114.554 0.221 0.000 2.720 899 T HA -0.107 4.244 4.350 0.000 0.000 0.268 899 T C 0.774 175.518 174.700 0.073 0.000 1.037 899 T CA 1.622 63.794 62.100 0.120 0.000 1.144 899 T CB -0.164 68.775 68.868 0.118 0.000 0.864 899 T HN 0.668 nan 8.240 nan 0.000 0.444 900 T N -0.639 113.957 114.554 0.070 0.000 2.661 900 T HA 0.580 4.930 4.350 0.000 0.000 0.305 900 T C -2.288 172.376 174.700 -0.060 0.000 1.441 900 T CA -0.307 61.764 62.100 -0.047 0.000 0.999 900 T CB 1.137 69.882 68.868 -0.205 0.000 1.650 900 T HN 0.659 nan 8.240 nan 0.000 0.489 901 A N 1.334 124.070 122.820 -0.141 0.000 2.343 901 A HA 0.734 5.054 4.320 0.000 0.000 0.308 901 A C -1.755 175.728 177.584 -0.169 0.000 1.092 901 A CA -0.448 51.518 52.037 -0.117 0.000 0.751 901 A CB 0.590 19.530 19.000 -0.100 0.000 1.203 901 A HN 0.705 nan 8.150 nan 0.000 0.452 902 Y N 2.706 122.976 120.300 -0.051 0.000 2.477 902 Y HA 0.501 5.051 4.550 0.000 0.000 0.349 902 Y C 0.097 175.974 175.900 -0.038 0.000 0.977 902 Y CA 0.227 58.307 58.100 -0.033 0.000 1.214 902 Y CB 0.650 39.095 38.460 -0.025 0.000 1.124 902 Y HN 0.503 nan 8.280 nan 0.000 0.521 903 L N 1.109 122.371 121.223 0.066 0.000 2.341 903 L HA 0.589 4.929 4.340 0.000 0.000 0.267 903 L C 1.188 178.077 176.870 0.032 0.000 1.009 903 L CA -0.824 54.035 54.840 0.031 0.000 0.819 903 L CB 2.020 44.075 42.059 -0.007 0.000 1.323 903 L HN 0.682 nan 8.230 nan 0.000 0.425 904 G N -0.029 108.783 108.800 0.020 0.000 2.623 904 G HA2 0.107 4.067 3.960 0.000 0.000 0.214 904 G HA3 0.107 4.067 3.960 0.000 0.000 0.214 904 G C 0.377 175.280 174.900 0.006 0.000 1.138 904 G CA 0.713 45.823 45.100 0.016 0.000 0.794 904 G HN 0.608 nan 8.290 nan 0.000 0.535 905 S N -0.853 114.846 115.700 -0.001 0.000 2.625 905 S HA 0.445 4.915 4.470 0.000 0.000 0.271 905 S C -0.969 173.624 174.600 -0.012 0.000 1.161 905 S CA -1.040 57.157 58.200 -0.006 0.000 0.820 905 S CB 1.436 64.632 63.200 -0.006 0.000 1.137 905 S HN -0.015 nan 8.310 nan 0.000 0.470 906 N N 1.931 120.623 118.700 -0.013 0.000 2.374 906 N HA 0.295 5.035 4.740 0.000 0.000 0.241 906 N C -2.477 173.022 175.510 -0.018 0.000 1.262 906 N CA -0.542 52.498 53.050 -0.017 0.000 0.880 906 N CB -0.532 37.946 38.487 -0.015 0.000 1.105 906 N HN 0.490 nan 8.380 nan 0.000 0.438 907 P HA 0.086 nan 4.420 nan 0.000 0.266 907 P C -0.212 177.077 177.300 -0.018 0.000 1.193 907 P CA 0.275 63.362 63.100 -0.021 0.000 0.770 907 P CB 0.469 32.156 31.700 -0.021 0.000 0.836 908 I N 2.696 123.255 120.570 -0.018 0.000 2.291 908 I HA 0.195 4.365 4.170 0.000 0.000 0.292 908 I C 0.324 176.432 176.117 -0.015 0.000 1.064 908 I CA -0.570 60.720 61.300 -0.016 0.000 1.269 908 I CB 0.813 38.803 38.000 -0.016 0.000 1.418 908 I HN 0.084 nan 8.210 nan 0.000 0.485 909 V N 5.181 125.087 119.914 -0.013 0.000 2.513 909 V HA 0.772 4.892 4.120 0.000 0.000 0.299 909 V C -0.442 175.646 176.094 -0.010 0.000 1.035 909 V CA 0.314 62.608 62.300 -0.011 0.000 0.889 909 V CB 1.939 33.756 31.823 -0.010 0.000 0.988 909 V HN 0.786 nan 8.190 nan 0.000 0.440 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.350 4.350 0.000 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658