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 3ebg_1_A DATA FIRST_RESID 196 DATA SEQUENCE PKIHYRKDYK PSGFIINQVT LNINIHDQET IVRSVLDMDI SKHNVGEDLV DATA SEQUENCE FDGVGLKINE ISINNKKLVE GEEYTYDNEF LTIFSKFVPK SKFAFSSEVI DATA SEQUENCE IHPETNYALT GLYKSKNIIV SQCEATGFRR ITFFIDRPDM MAKYDVTVTA DATA SEQUENCE DKEKYPVLLS NGDKVNEFEI PGGRHGARFN DPPLKPCYLF AVVAGDLKHL DATA SEQUENCE SATYITKYTK KKVELYVFSE EKYVSKLQWA LECLKKSMAF DEDYFGLEYD DATA SEQUENCE LSRLNLVAVS DFNVGAMENK GLNIFNANSL LASKKNSIDF SYARILTVVG DATA SEQUENCE HEYFHQYTGN RVTLRDWFQL TLKEGLTVHR ENLFSEEMTK TVTTRLSHVD DATA SEQUENCE LLRSVQFLED SSPLSHPIRP ESYVSMENFY TTTVYDKGSE VMRMYLTILG DATA SEQUENCE EEYYKKGFDI YIKKNDGNTA TCEDFNYAME QAYKMKKADN SANLNQYLLW DATA SEQUENCE FSQSGTPHVS FKYNYDAEKK QYSIHVNQYT KPDENQKEKK PLFIPISVGL DATA SEQUENCE INPENGKEMI SQTTLELTKE SDTFVFNNIA VKPIPSLFRG FSAPVYIEDQ DATA SEQUENCE LTDEERILLL KYDSDAFVRY NSCTNIYMKQ ILMNYNEFLK AKNEKLESFQ DATA SEQUENCE LTPVNAQFID AIKYLLEDPH ADAGFKSYIV SLPQDRYIIN FVSNLDTDVL DATA SEQUENCE ADTKEYIYKQ IGDKLNDVYY KMFKSLEAKA DDLTYFNDES HVDFDQMNMR DATA SEQUENCE TLRNTLLSLL SKAQYPNILN EIIEHSKSPY PSNWLTSLSV SAYFDKYFEL DATA SEQUENCE YDKTYKLSKD DELLLQEWLK TVSRSDRKDI YEILKKLENE VLKDSKNPND DATA SEQUENCE IRAVYLPFTN NLRRFHDISG KGYKLIAEVI TKTDKFNPMV ATQLCEPFKL DATA SEQUENCE WNKLDTKRQE LMLNEMNTML QEPQISNNLK EYLLRLTNK 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 196 P HA 0.000 nan 4.420 nan 0.000 0.216 196 P C 0.000 177.314 177.300 0.023 0.000 1.155 196 P CA 0.000 63.129 63.100 0.048 0.000 0.800 196 P CB 0.000 31.730 31.700 0.049 0.000 0.726 197 K N 2.126 122.534 120.400 0.014 0.000 2.322 197 K HA 0.390 -4.853 4.320 -15.939 0.000 0.283 197 K C -0.302 176.173 176.600 -0.207 0.000 1.042 197 K CA -0.413 55.815 56.287 -0.100 0.000 0.958 197 K CB 0.374 32.793 32.500 -0.134 0.000 0.984 197 K HN 0.394 nan 8.250 nan 0.000 0.473 198 I N 4.682 125.102 120.570 -0.251 0.000 2.321 198 I HA 0.146 -5.248 4.170 -15.939 0.000 0.291 198 I C -0.390 175.362 176.117 -0.608 0.000 0.998 198 I CA -0.802 60.274 61.300 -0.372 0.000 1.227 198 I CB 0.991 38.792 38.000 -0.331 0.000 1.368 198 I HN 0.563 nan 8.210 nan 0.000 0.466 199 H N 5.442 124.219 119.070 -0.488 0.000 2.562 199 H HA 0.417 -4.590 4.556 -15.939 0.000 0.314 199 H C -1.258 173.872 175.328 -0.331 0.000 1.079 199 H CA -0.074 55.733 56.048 -0.401 0.000 1.349 199 H CB 0.696 30.054 29.762 -0.674 0.000 1.432 199 H HN 0.373 nan 8.280 nan 0.000 0.479 200 Y N 1.100 121.491 120.300 0.152 0.000 2.377 200 Y HA 0.212 -4.802 4.550 -15.941 0.000 0.339 200 Y C 1.645 177.359 175.900 -0.309 0.000 1.011 200 Y CA -0.826 57.264 58.100 -0.015 0.000 1.093 200 Y CB 1.432 39.872 38.460 -0.033 0.000 1.201 200 Y HN 0.607 nan 8.280 nan 0.000 0.455 201 R N 1.027 121.073 120.500 -0.757 0.000 2.091 201 R HA -0.176 -5.400 4.340 -15.939 0.000 0.238 201 R C 2.048 178.166 176.300 -0.303 0.000 1.136 201 R CA 2.019 57.433 56.100 -1.143 0.000 0.959 201 R CB 0.041 29.751 30.300 -0.983 0.000 0.856 201 R HN 0.553 nan 8.270 nan 0.000 0.437 202 K N -0.612 119.712 120.400 -0.127 0.000 2.504 202 K HA -0.016 -5.259 4.320 -15.939 0.000 0.195 202 K C 0.502 177.113 176.600 0.018 0.000 1.036 202 K CA 1.532 57.800 56.287 -0.031 0.000 0.984 202 K CB -0.210 32.272 32.500 -0.031 0.000 0.788 202 K HN 0.319 nan 8.250 nan 0.000 0.488 203 D N -0.355 120.075 120.400 0.051 0.000 2.339 203 D HA 0.126 -4.798 4.640 -15.939 0.000 0.217 203 D C -0.226 176.123 176.300 0.083 0.000 1.050 203 D CA -0.354 53.688 54.000 0.069 0.000 0.856 203 D CB -0.475 40.394 40.800 0.114 0.000 0.922 203 D HN 0.562 nan 8.370 nan 0.000 0.518 204 Y N 2.215 122.534 120.300 0.032 0.000 2.721 204 Y HA 0.202 -4.808 4.550 -15.933 0.000 0.329 204 Y C 0.325 176.224 175.900 -0.001 0.000 1.211 204 Y CA 0.284 58.413 58.100 0.048 0.000 1.512 204 Y CB 0.001 38.494 38.460 0.056 0.000 1.249 204 Y HN -0.133 nan 8.280 nan 0.000 0.549 205 K N 6.715 126.569 120.400 -0.910 0.000 2.468 205 K HA 0.594 -4.649 4.320 -15.939 0.000 0.252 205 K C -3.156 172.856 176.600 -0.979 0.000 0.932 205 K CA -1.989 53.840 56.287 -0.764 0.000 0.794 205 K CB 0.725 33.011 32.500 -0.356 0.000 1.241 205 K HN 0.494 nan 8.250 nan 0.000 0.428 206 P HA 0.146 nan 4.420 nan 0.000 0.269 206 P C 0.083 177.213 177.300 -0.283 0.000 1.215 206 P CA -0.231 62.593 63.100 -0.460 0.000 0.780 206 P CB 1.059 32.471 31.700 -0.480 0.000 0.898 207 S N 0.815 116.449 115.700 -0.109 0.000 2.572 207 S HA 0.211 -4.882 4.470 -15.939 0.000 0.279 207 S C 1.664 176.235 174.600 -0.048 0.000 1.341 207 S CA 0.073 58.249 58.200 -0.040 0.000 1.043 207 S CB -0.239 62.988 63.200 0.044 0.000 0.887 207 S HN 0.604 nan 8.310 nan 0.000 0.516 208 G N 2.981 111.680 108.800 -0.170 0.000 2.848 208 G HA2 0.221 -5.382 3.960 -15.939 0.000 0.208 208 G HA3 0.221 -5.382 3.960 -15.939 0.000 0.208 208 G C -0.169 174.296 174.900 -0.724 0.000 1.152 208 G CA 0.113 44.961 45.100 -0.421 0.000 0.789 208 G HN 0.524 nan 8.290 nan 0.000 0.531 209 F N -0.666 119.271 119.950 -0.021 0.000 2.611 209 F HA 0.626 -4.410 4.527 -15.939 0.000 0.324 209 F C -0.143 175.633 175.800 -0.040 0.000 1.061 209 F CA -1.448 56.533 58.000 -0.031 0.000 0.954 209 F CB 1.787 40.737 39.000 -0.082 0.000 1.301 209 F HN -0.249 nan 8.300 nan 0.000 0.482 210 I N 2.915 123.578 120.570 0.155 0.000 2.545 210 I HA 0.421 -4.972 4.170 -15.939 0.000 0.292 210 I C -0.834 175.271 176.117 -0.020 0.000 1.040 210 I CA -0.539 60.790 61.300 0.049 0.000 1.068 210 I CB 1.989 40.005 38.000 0.027 0.000 1.251 210 I HN 0.451 nan 8.210 nan 0.000 0.424 211 I N 5.577 126.116 120.570 -0.052 0.000 2.354 211 I HA 0.308 -5.086 4.170 -15.939 0.000 0.286 211 I C 0.900 176.995 176.117 -0.038 0.000 1.007 211 I CA -0.061 61.183 61.300 -0.093 0.000 1.167 211 I CB 0.991 38.873 38.000 -0.197 0.000 1.320 211 I HN 0.555 nan 8.210 nan 0.000 0.458 212 N N 3.434 122.102 118.700 -0.053 0.000 2.387 212 N HA -0.012 -4.835 4.740 -15.939 0.000 0.176 212 N C 0.245 175.731 175.510 -0.040 0.000 1.022 212 N CA 0.232 53.262 53.050 -0.033 0.000 0.883 212 N CB 0.342 38.807 38.487 -0.036 0.000 1.019 212 N HN 0.503 nan 8.380 nan 0.000 0.435 213 Q N 0.619 120.380 119.800 -0.067 0.000 2.315 213 Q HA 0.428 -4.795 4.340 -15.939 0.000 0.273 213 Q C -2.028 173.897 176.000 -0.125 0.000 1.053 213 Q CA -0.549 55.199 55.803 -0.091 0.000 0.817 213 Q CB 2.029 30.733 28.738 -0.056 0.000 1.326 213 Q HN -0.169 nan 8.270 nan 0.000 0.423 214 V N 3.075 122.841 119.914 -0.247 0.000 2.417 214 V HA 0.648 -4.795 4.120 -15.939 0.000 0.291 214 V C -0.650 175.363 176.094 -0.135 0.000 1.024 214 V CA -0.556 61.594 62.300 -0.250 0.000 0.861 214 V CB 1.918 33.338 31.823 -0.671 0.000 0.985 214 V HN 0.895 nan 8.190 nan 0.000 0.436 215 T N 6.581 121.104 114.554 -0.051 0.000 2.864 215 T HA 0.583 -4.630 4.350 -15.939 0.000 0.310 215 T C -0.437 174.268 174.700 0.008 0.000 1.040 215 T CA -0.240 61.856 62.100 -0.006 0.000 0.977 215 T CB 0.527 69.389 68.868 -0.009 0.000 0.976 215 T HN 0.334 nan 8.240 nan 0.000 0.459 216 L N 3.710 124.960 121.223 0.046 0.000 2.317 216 L HA 0.544 -4.679 4.340 -15.939 0.000 0.281 216 L C 0.252 177.155 176.870 0.054 0.000 1.024 216 L CA -0.841 54.020 54.840 0.037 0.000 0.810 216 L CB 1.186 43.276 42.059 0.051 0.000 1.240 216 L HN 0.511 nan 8.230 nan 0.000 0.427 217 N N 4.553 123.266 118.700 0.022 0.000 2.524 217 N HA 0.435 -4.388 4.740 -15.939 0.000 0.261 217 N C -1.047 174.468 175.510 0.009 0.000 0.998 217 N CA -0.323 52.747 53.050 0.034 0.000 0.915 217 N CB 2.142 40.645 38.487 0.027 0.000 1.187 217 N HN 0.416 nan 8.380 nan 0.000 0.507 218 I N 2.302 122.882 120.570 0.017 0.000 2.306 218 I HA 0.209 -5.184 4.170 -15.939 0.000 0.288 218 I C -0.354 175.738 176.117 -0.042 0.000 1.036 218 I CA -0.527 60.761 61.300 -0.020 0.000 1.221 218 I CB 0.408 38.403 38.000 -0.009 0.000 1.385 218 I HN 0.215 nan 8.210 nan 0.000 0.472 219 N N 7.535 126.213 118.700 -0.037 0.000 2.546 219 N HA 0.456 -4.367 4.740 -15.939 0.000 0.238 219 N C -0.764 174.683 175.510 -0.106 0.000 0.984 219 N CA -0.453 52.564 53.050 -0.056 0.000 0.935 219 N CB 1.174 39.702 38.487 0.068 0.000 1.122 219 N HN 0.463 nan 8.380 nan 0.000 0.510 220 I N 2.935 123.360 120.570 -0.242 0.000 2.337 220 I HA 0.152 -5.241 4.170 -15.939 0.000 0.291 220 I C 0.407 176.325 176.117 -0.332 0.000 1.046 220 I CA -0.213 60.941 61.300 -0.244 0.000 1.324 220 I CB 0.144 37.939 38.000 -0.341 0.000 1.409 220 I HN 0.460 nan 8.210 nan 0.000 0.494 221 H N 3.296 122.351 119.070 -0.025 0.000 2.754 221 H HA 0.243 -4.764 4.556 -15.939 0.000 0.352 221 H C 0.898 176.258 175.328 0.052 0.000 1.213 221 H CA 0.119 56.182 56.048 0.025 0.000 1.244 221 H CB 1.060 30.829 29.762 0.012 0.000 1.843 221 H HN 0.648 nan 8.280 nan 0.000 0.587 222 D N -0.012 120.514 120.400 0.210 0.000 2.123 222 D HA -0.147 -5.071 4.640 -15.939 0.000 0.196 222 D C 1.443 177.822 176.300 0.132 0.000 0.992 222 D CA 1.676 55.767 54.000 0.152 0.000 0.833 222 D CB -0.178 40.696 40.800 0.123 0.000 0.954 222 D HN 0.539 nan 8.370 nan 0.000 0.455 223 Q N -0.686 119.191 119.800 0.129 0.000 2.246 223 Q HA 0.213 -5.010 4.340 -15.939 0.000 0.222 223 Q C -0.233 175.868 176.000 0.168 0.000 0.851 223 Q CA 0.273 56.154 55.803 0.130 0.000 0.945 223 Q CB 0.798 29.599 28.738 0.105 0.000 1.122 223 Q HN 0.854 nan 8.270 nan 0.000 0.508 224 E N -1.296 118.962 120.200 0.097 0.000 2.401 224 E HA 0.390 -4.823 4.350 -15.939 0.000 0.280 224 E C -1.306 175.269 176.600 -0.042 0.000 1.039 224 E CA -0.776 55.592 56.400 -0.054 0.000 0.814 224 E CB 1.389 31.027 29.700 -0.104 0.000 1.275 224 E HN -0.267 nan 8.360 nan 0.000 0.448 225 T N 1.762 116.223 114.554 -0.155 0.000 2.792 225 T HA 0.473 -4.740 4.350 -15.939 0.000 0.280 225 T C -0.296 174.339 174.700 -0.107 0.000 0.990 225 T CA -0.525 61.521 62.100 -0.090 0.000 0.960 225 T CB 0.432 69.228 68.868 -0.120 0.000 0.939 225 T HN 0.323 nan 8.240 nan 0.000 0.439 226 I N 3.374 123.931 120.570 -0.022 0.000 2.315 226 I HA 0.394 -4.999 4.170 -15.939 0.000 0.291 226 I C -0.385 175.697 176.117 -0.059 0.000 1.006 226 I CA -0.777 60.498 61.300 -0.043 0.000 1.265 226 I CB 1.314 39.319 38.000 0.008 0.000 1.387 226 I HN 0.233 nan 8.210 nan 0.000 0.475 227 V N 6.080 125.935 119.914 -0.099 0.000 2.350 227 V HA 0.365 -5.079 4.120 -15.939 0.000 0.285 227 V C 0.075 176.105 176.094 -0.105 0.000 1.014 227 V CA -0.694 61.538 62.300 -0.113 0.000 0.831 227 V CB 1.213 32.930 31.823 -0.177 0.000 1.000 227 V HN 0.628 nan 8.190 nan 0.000 0.433 228 R N 2.468 122.921 120.500 -0.077 0.000 2.346 228 R HA 0.754 -4.469 4.340 -15.939 0.000 0.311 228 R C -0.004 176.250 176.300 -0.076 0.000 0.983 228 R CA -0.503 55.550 56.100 -0.078 0.000 0.880 228 R CB 1.725 31.990 30.300 -0.058 0.000 1.100 228 R HN 0.802 nan 8.270 nan 0.000 0.453 229 S N 1.145 116.790 115.700 -0.092 0.000 2.594 229 S HA 0.541 -4.553 4.470 -15.939 0.000 0.296 229 S C -0.896 173.649 174.600 -0.090 0.000 1.124 229 S CA -0.555 57.605 58.200 -0.067 0.000 1.011 229 S CB 1.379 64.556 63.200 -0.039 0.000 1.016 229 S HN 0.423 nan 8.310 nan 0.000 0.485 230 V N 6.384 126.262 119.914 -0.060 0.000 2.384 230 V HA 0.486 -4.958 4.120 -15.939 0.000 0.287 230 V C -0.411 175.675 176.094 -0.014 0.000 1.020 230 V CA -0.612 61.650 62.300 -0.064 0.000 0.850 230 V CB 1.262 33.049 31.823 -0.060 0.000 0.987 230 V HN 0.783 nan 8.190 nan 0.000 0.436 231 L N 4.342 125.583 121.223 0.030 0.000 2.272 231 L HA 0.514 -4.709 4.340 -15.939 0.000 0.289 231 L C -0.364 176.485 176.870 -0.036 0.000 1.032 231 L CA -0.517 54.348 54.840 0.042 0.000 0.810 231 L CB 1.391 43.530 42.059 0.134 0.000 1.205 231 L HN 0.543 nan 8.230 nan 0.000 0.422 232 D N 5.677 126.031 120.400 -0.077 0.000 2.365 232 D HA 0.395 -4.528 4.640 -15.939 0.000 0.237 232 D C -0.060 176.120 176.300 -0.199 0.000 1.190 232 D CA 0.249 54.175 54.000 -0.124 0.000 0.867 232 D CB 1.373 42.127 40.800 -0.078 0.000 1.050 232 D HN 0.371 nan 8.370 nan 0.000 0.491 233 M N 1.040 120.399 119.600 -0.403 0.000 2.777 233 M HA 0.382 -4.701 4.480 -15.939 0.000 0.307 233 M C -0.244 175.787 176.300 -0.448 0.000 1.228 233 M CA -0.798 54.186 55.300 -0.527 0.000 0.871 233 M CB 2.194 34.252 32.600 -0.903 0.000 1.721 233 M HN 0.091 nan 8.290 nan 0.000 0.487 234 D N 0.072 120.361 120.400 -0.185 0.000 2.596 234 D HA 0.473 -4.451 4.640 -15.939 0.000 0.262 234 D C -1.682 174.754 176.300 0.227 0.000 1.210 234 D CA -0.420 53.609 54.000 0.047 0.000 0.873 234 D CB 2.025 42.838 40.800 0.023 0.000 1.408 234 D HN 0.254 nan 8.370 nan 0.000 0.441 235 I N 1.770 122.467 120.570 0.211 0.000 2.331 235 I HA 0.214 -5.179 4.170 -15.939 0.000 0.292 235 I C 1.108 177.219 176.117 -0.010 0.000 0.998 235 I CA -0.489 60.871 61.300 0.100 0.000 1.267 235 I CB 0.400 38.447 38.000 0.079 0.000 1.386 235 I HN 0.342 nan 8.210 nan 0.000 0.476 236 S N 6.073 121.723 115.700 -0.084 0.000 2.669 236 S HA 0.286 -4.807 4.470 -15.939 0.000 0.270 236 S C 1.097 175.606 174.600 -0.151 0.000 1.225 236 S CA -0.617 57.532 58.200 -0.085 0.000 0.991 236 S CB 1.178 64.358 63.200 -0.033 0.000 0.987 236 S HN 0.707 nan 8.310 nan 0.000 0.552 237 K N -0.178 120.083 120.400 -0.231 0.000 2.360 237 K HA -0.114 -5.357 4.320 -15.939 0.000 0.201 237 K C 0.884 177.267 176.600 -0.362 0.000 1.046 237 K CA 1.625 57.722 56.287 -0.315 0.000 0.945 237 K CB -0.638 31.632 32.500 -0.383 0.000 0.750 237 K HN 0.811 nan 8.250 nan 0.000 0.464 238 H N 0.291 119.300 119.070 -0.102 0.000 2.539 238 H HA 0.133 -4.874 4.556 -15.938 0.000 0.269 238 H C 0.092 175.326 175.328 -0.156 0.000 0.980 238 H CA -0.466 55.514 56.048 -0.113 0.000 1.152 238 H CB 0.095 29.791 29.762 -0.109 0.000 1.407 238 H HN 0.229 nan 8.280 nan 0.000 0.564 239 N N 1.659 120.280 118.700 -0.131 0.000 2.483 239 N HA -0.029 -4.852 4.740 -15.939 0.000 0.264 239 N C 0.513 175.937 175.510 -0.144 0.000 1.197 239 N CA 0.313 53.230 53.050 -0.222 0.000 0.927 239 N CB 1.114 39.416 38.487 -0.307 0.000 1.065 239 N HN 0.196 nan 8.380 nan 0.000 0.461 240 V N 0.617 120.452 119.914 -0.133 0.000 2.988 240 V HA 0.448 -4.996 4.120 -15.939 0.000 0.356 240 V C 1.024 177.074 176.094 -0.074 0.000 1.380 240 V CA 0.104 62.354 62.300 -0.084 0.000 1.184 240 V CB -0.074 31.713 31.823 -0.061 0.000 1.204 240 V HN 0.793 nan 8.190 nan 0.000 0.530 241 G N 0.838 109.585 108.800 -0.089 0.000 2.143 241 G HA2 -0.253 -5.856 3.960 -15.939 0.000 0.249 241 G HA3 -0.253 -5.856 3.960 -15.939 0.000 0.249 241 G C 0.172 175.061 174.900 -0.019 0.000 0.981 241 G CA 0.375 45.443 45.100 -0.053 0.000 0.665 241 G HN 1.061 nan 8.290 nan 0.000 0.528 242 E N 1.142 121.327 120.200 -0.025 0.000 2.425 242 E HA 0.215 -4.998 4.350 -15.939 0.000 0.258 242 E C -0.340 176.335 176.600 0.125 0.000 1.151 242 E CA -0.235 56.185 56.400 0.034 0.000 0.958 242 E CB 0.653 30.363 29.700 0.016 0.000 0.968 242 E HN 0.223 nan 8.360 nan 0.000 0.451 243 D N 0.702 121.176 120.400 0.123 0.000 2.449 243 D HA 0.037 -4.887 4.640 -15.939 0.000 0.236 243 D C -0.194 176.179 176.300 0.122 0.000 1.149 243 D CA -0.188 53.888 54.000 0.128 0.000 0.878 243 D CB 0.305 41.174 40.800 0.116 0.000 1.198 243 D HN 0.266 nan 8.370 nan 0.000 0.446 244 L N 2.835 124.023 121.223 -0.057 0.000 2.283 244 L HA 0.215 -5.008 4.340 -15.939 0.000 0.287 244 L C -0.975 175.609 176.870 -0.478 0.000 1.073 244 L CA -0.312 54.234 54.840 -0.489 0.000 0.822 244 L CB 0.663 42.265 42.059 -0.761 0.000 1.186 244 L HN 0.063 nan 8.230 nan 0.000 0.436 245 V N 6.625 126.276 119.914 -0.438 0.000 2.357 245 V HA 0.416 -5.027 4.120 -15.939 0.000 0.284 245 V C -0.182 175.706 176.094 -0.343 0.000 1.018 245 V CA -0.424 61.722 62.300 -0.258 0.000 0.841 245 V CB 0.901 32.672 31.823 -0.086 0.000 0.991 245 V HN 0.487 nan 8.190 nan 0.000 0.437 246 F N 1.950 121.879 119.950 -0.035 0.000 2.425 246 F HA 0.446 -4.591 4.527 -15.939 0.000 0.331 246 F C 0.841 176.840 175.800 0.333 0.000 1.085 246 F CA -0.778 57.267 58.000 0.075 0.000 1.028 246 F CB 0.938 39.925 39.000 -0.021 0.000 1.177 246 F HN 0.437 nan 8.300 nan 0.000 0.487 247 D N 1.537 122.272 120.400 0.558 0.000 2.389 247 D HA 0.430 -4.493 4.640 -15.939 0.000 0.247 247 D C 0.115 176.666 176.300 0.418 0.000 1.128 247 D CA 0.311 54.579 54.000 0.446 0.000 0.884 247 D CB 1.497 42.519 40.800 0.369 0.000 1.194 247 D HN 0.768 nan 8.370 nan 0.000 0.441 248 G N 0.604 109.582 108.800 0.298 0.000 2.152 248 G HA2 0.374 -5.229 3.960 -15.939 0.000 0.290 248 G HA3 0.374 -5.229 3.960 -15.939 0.000 0.290 248 G C -1.101 173.888 174.900 0.149 0.000 1.307 248 G CA -0.453 44.707 45.100 0.100 0.000 1.289 248 G HN 0.308 nan 8.290 nan 0.000 0.612 249 V N 1.941 121.854 119.914 -0.002 0.000 2.384 249 V HA 0.708 -4.736 4.120 -15.939 0.000 0.287 249 V C 1.316 177.412 176.094 0.002 0.000 1.020 249 V CA 0.711 63.010 62.300 -0.001 0.000 0.850 249 V CB 1.098 32.891 31.823 -0.050 0.000 0.987 249 V HN 1.946 nan 8.190 nan 0.000 0.436 250 G N 4.648 113.481 108.800 0.054 0.000 2.179 250 G HA2 -0.226 -5.830 3.960 -15.939 0.000 0.257 250 G HA3 -0.226 -5.830 3.960 -15.939 0.000 0.257 250 G C -0.002 174.937 174.900 0.065 0.000 1.010 250 G CA 0.255 45.386 45.100 0.051 0.000 0.736 250 G HN 0.590 nan 8.290 nan 0.000 0.513 251 L N 0.031 121.308 121.223 0.090 0.000 2.349 251 L HA 0.483 -4.741 4.340 -15.939 0.000 0.275 251 L C 0.757 177.682 176.870 0.091 0.000 1.115 251 L CA -0.621 54.183 54.840 -0.059 0.000 0.820 251 L CB 1.336 43.129 42.059 -0.444 0.000 1.135 251 L HN 0.057 nan 8.230 nan 0.000 0.445 252 K N 4.947 125.370 120.400 0.039 0.000 2.281 252 K HA 0.442 -4.802 4.320 -15.939 0.000 0.272 252 K C -0.418 176.209 176.600 0.046 0.000 1.048 252 K CA -0.403 55.942 56.287 0.096 0.000 0.898 252 K CB 0.309 32.873 32.500 0.107 0.000 1.128 252 K HN 0.493 nan 8.250 nan 0.000 0.460 253 I N 5.033 125.657 120.570 0.090 0.000 2.452 253 I HA 0.121 -5.272 4.170 -15.939 0.000 0.287 253 I C 1.147 177.297 176.117 0.054 0.000 1.079 253 I CA -0.245 61.096 61.300 0.067 0.000 1.387 253 I CB 0.948 39.003 38.000 0.092 0.000 1.404 253 I HN 0.694 nan 8.210 nan 0.000 0.522 254 N N 4.946 123.654 118.700 0.013 0.000 2.368 254 N HA 0.012 -4.811 4.740 -15.939 0.000 0.178 254 N C -0.185 175.324 175.510 -0.003 0.000 1.021 254 N CA 0.676 53.729 53.050 0.004 0.000 0.875 254 N CB 0.332 38.807 38.487 -0.020 0.000 1.020 254 N HN 0.745 nan 8.380 nan 0.000 0.433 255 E N -0.336 119.842 120.200 -0.038 0.000 2.388 255 E HA 0.380 -4.833 4.350 -15.939 0.000 0.281 255 E C -1.130 175.369 176.600 -0.168 0.000 1.046 255 E CA -0.777 55.583 56.400 -0.068 0.000 0.825 255 E CB 1.528 31.190 29.700 -0.063 0.000 1.243 255 E HN 0.091 nan 8.360 nan 0.000 0.438 256 I N -1.521 118.907 120.570 -0.236 0.000 2.828 256 I HA 0.851 -4.542 4.170 -15.939 0.000 0.302 256 I C -1.006 174.919 176.117 -0.320 0.000 1.101 256 I CA -0.601 60.454 61.300 -0.408 0.000 1.031 256 I CB 2.430 40.101 38.000 -0.548 0.000 1.231 256 I HN 0.485 nan 8.210 nan 0.000 0.427 257 S N 4.538 119.983 115.700 -0.426 0.000 2.579 257 S HA 0.680 -4.414 4.470 -15.939 0.000 0.272 257 S C -0.815 173.685 174.600 -0.167 0.000 1.141 257 S CA -0.596 57.466 58.200 -0.230 0.000 0.843 257 S CB 2.046 65.136 63.200 -0.184 0.000 1.122 257 S HN 0.574 nan 8.310 nan 0.000 0.468 258 I N 2.469 123.044 120.570 0.009 0.000 2.418 258 I HA 0.364 -5.030 4.170 -15.939 0.000 0.287 258 I C -0.549 175.622 176.117 0.090 0.000 1.008 258 I CA -0.543 60.838 61.300 0.136 0.000 1.104 258 I CB 1.350 39.452 38.000 0.170 0.000 1.264 258 I HN 0.623 nan 8.210 nan 0.000 0.438 259 N N 5.788 124.558 118.700 0.117 0.000 2.727 259 N HA -0.236 -5.059 4.740 -15.939 0.000 0.249 259 N C 0.079 175.607 175.510 0.030 0.000 1.048 259 N CA 0.870 53.969 53.050 0.082 0.000 0.714 259 N CB -1.074 37.473 38.487 0.100 0.000 0.959 259 N HN 0.786 nan 8.380 nan 0.000 0.544 260 N N -2.127 116.570 118.700 -0.005 0.000 2.828 260 N HA -0.215 -5.038 4.740 -15.939 0.000 0.248 260 N C -0.099 175.399 175.510 -0.021 0.000 1.044 260 N CA 1.392 54.427 53.050 -0.025 0.000 0.851 260 N CB -0.695 37.783 38.487 -0.015 0.000 1.136 260 N HN 0.699 nan 8.380 nan 0.000 0.572 261 K N 1.665 122.059 120.400 -0.011 0.000 2.293 261 K HA 0.226 -5.017 4.320 -15.939 0.000 0.267 261 K C 0.042 176.627 176.600 -0.025 0.000 1.010 261 K CA -0.446 55.836 56.287 -0.009 0.000 0.875 261 K CB 0.891 33.398 32.500 0.012 0.000 1.106 261 K HN 0.003 nan 8.250 nan 0.000 0.450 262 K N 4.408 124.789 120.400 -0.031 0.000 2.511 262 K HA 0.009 -5.234 4.320 -15.939 0.000 0.280 262 K C -0.362 176.229 176.600 -0.014 0.000 1.008 262 K CA 0.144 56.411 56.287 -0.034 0.000 1.050 262 K CB 0.410 32.897 32.500 -0.022 0.000 0.889 262 K HN 0.540 nan 8.250 nan 0.000 0.484 263 L N 4.634 125.859 121.223 0.003 0.000 2.343 263 L HA 0.323 -4.900 4.340 -15.939 0.000 0.275 263 L C -0.143 176.834 176.870 0.178 0.000 1.056 263 L CA -1.155 53.724 54.840 0.066 0.000 0.804 263 L CB 1.481 43.594 42.059 0.089 0.000 1.203 263 L HN 0.424 nan 8.230 nan 0.000 0.440 264 V N -0.777 119.173 119.914 0.060 0.000 2.407 264 V HA 0.361 -5.082 4.120 -15.939 0.000 0.278 264 V C 0.162 176.093 176.094 -0.271 0.000 1.037 264 V CA -0.810 61.471 62.300 -0.031 0.000 0.900 264 V CB 1.426 33.203 31.823 -0.077 0.000 0.983 264 V HN 0.740 nan 8.190 nan 0.000 0.459 265 E N 3.095 123.020 120.200 -0.458 0.000 2.415 265 E HA 0.334 -4.879 4.350 -15.939 0.000 0.263 265 E C 1.240 177.579 176.600 -0.435 0.000 0.995 265 E CA 1.622 57.469 56.400 -0.921 0.000 0.915 265 E CB 0.944 30.343 29.700 -0.502 0.000 0.951 265 E HN 1.415 nan 8.360 nan 0.000 0.449 266 G N 3.523 112.099 108.800 -0.373 0.000 2.527 266 G HA2 -0.395 -5.998 3.960 -15.939 0.000 0.218 266 G HA3 -0.395 -5.998 3.960 -15.939 0.000 0.218 266 G C 1.129 176.081 174.900 0.086 0.000 1.177 266 G CA 0.618 45.676 45.100 -0.070 0.000 0.695 266 G HN 0.547 nan 8.290 nan 0.000 0.517 267 E N 0.719 120.922 120.200 0.005 0.000 2.060 267 E HA 0.126 -5.087 4.350 -15.939 0.000 0.189 267 E C 2.297 178.997 176.600 0.166 0.000 0.974 267 E CA 1.876 58.317 56.400 0.069 0.000 0.808 267 E CB -0.220 29.462 29.700 -0.030 0.000 0.768 267 E HN 0.759 nan 8.360 nan 0.000 0.453 268 E N -1.810 118.332 120.200 -0.097 0.000 2.473 268 E HA 0.181 -5.032 4.350 -15.939 0.000 0.204 268 E C -0.330 176.237 176.600 -0.055 0.000 0.994 268 E CA 0.051 56.268 56.400 -0.304 0.000 0.945 268 E CB 0.861 30.110 29.700 -0.751 0.000 0.990 268 E HN 0.606 nan 8.360 nan 0.000 0.493 269 Y N -1.234 118.933 120.300 -0.223 0.000 2.592 269 Y HA 0.478 -4.535 4.550 -15.939 0.000 0.334 269 Y C -1.043 174.734 175.900 -0.205 0.000 1.136 269 Y CA -1.319 56.520 58.100 -0.436 0.000 1.042 269 Y CB 1.024 39.332 38.460 -0.252 0.000 1.325 269 Y HN -0.150 nan 8.280 nan 0.000 0.457 270 T N 0.129 114.650 114.554 -0.055 0.000 2.893 270 T HA 0.609 -4.604 4.350 -15.939 0.000 0.291 270 T C -1.855 173.059 174.700 0.358 0.000 1.028 270 T CA -0.730 61.444 62.100 0.124 0.000 0.995 270 T CB 2.078 71.039 68.868 0.155 0.000 1.051 270 T HN 0.955 nan 8.240 nan 0.000 0.470 271 Y N 2.024 122.454 120.300 0.216 0.000 2.386 271 Y HA 0.440 -4.574 4.550 -15.939 0.000 0.334 271 Y C -0.698 175.315 175.900 0.188 0.000 1.002 271 Y CA -0.910 57.333 58.100 0.239 0.000 1.068 271 Y CB 1.803 40.445 38.460 0.303 0.000 1.203 271 Y HN 0.872 nan 8.280 nan 0.000 0.443 272 D N 2.725 122.944 120.400 -0.301 0.000 2.538 272 D HA 0.115 -4.808 4.640 -15.939 0.000 0.231 272 D C 0.148 176.163 176.300 -0.474 0.000 1.229 272 D CA -0.194 53.648 54.000 -0.263 0.000 0.828 272 D CB -0.084 40.703 40.800 -0.022 0.000 1.035 272 D HN 0.692 nan 8.370 nan 0.000 0.495 273 N N -0.091 117.913 118.700 -1.160 0.000 2.909 273 N HA -0.258 -5.081 4.740 -15.939 0.000 0.242 273 N C 0.532 175.831 175.510 -0.350 0.000 0.975 273 N CA 1.701 54.288 53.050 -0.770 0.000 0.921 273 N CB -0.908 37.406 38.487 -0.289 0.000 1.112 273 N HN 0.599 nan 8.380 nan 0.000 0.581 274 E N -2.212 117.795 120.200 -0.322 0.000 2.879 274 E HA 0.214 -4.999 4.350 -15.939 0.000 0.206 274 E C -0.821 175.563 176.600 -0.359 0.000 0.969 274 E CA 0.046 56.245 56.400 -0.335 0.000 1.496 274 E CB 0.488 29.893 29.700 -0.491 0.000 1.454 274 E HN 0.118 nan 8.360 nan 0.000 0.750 275 F N 1.262 121.360 119.950 0.246 0.000 2.540 275 F HA 0.410 -4.627 4.527 -15.940 0.000 0.317 275 F C -0.624 175.447 175.800 0.451 0.000 1.104 275 F CA -1.033 57.160 58.000 0.321 0.000 0.913 275 F CB 1.743 40.857 39.000 0.191 0.000 1.170 275 F HN -0.051 nan 8.300 nan 0.000 0.450 276 L N 2.892 124.481 121.223 0.610 0.000 2.265 276 L HA 0.630 -4.593 4.340 -15.939 0.000 0.289 276 L C -0.421 176.545 176.870 0.160 0.000 1.033 276 L CA 0.207 55.250 54.840 0.339 0.000 0.814 276 L CB 0.964 42.925 42.059 -0.163 0.000 1.203 276 L HN 0.597 nan 8.230 nan 0.000 0.423 277 T N 6.848 121.456 114.554 0.090 0.000 2.756 277 T HA 0.560 -4.653 4.350 -15.939 0.000 0.290 277 T C -0.051 174.493 174.700 -0.260 0.000 0.985 277 T CA -0.030 62.029 62.100 -0.068 0.000 0.955 277 T CB 0.460 69.310 68.868 -0.030 0.000 0.930 277 T HN 0.428 nan 8.240 nan 0.000 0.451 278 I N 3.984 124.412 120.570 -0.238 0.000 2.339 278 I HA 0.363 -5.031 4.170 -15.939 0.000 0.290 278 I C -0.313 175.738 176.117 -0.110 0.000 0.994 278 I CA -0.856 60.313 61.300 -0.218 0.000 1.191 278 I CB 0.746 38.689 38.000 -0.096 0.000 1.343 278 I HN 0.482 nan 8.210 nan 0.000 0.458 279 F N 4.012 124.108 119.950 0.243 0.000 2.572 279 F HA 0.005 -5.031 4.527 -15.939 0.000 0.370 279 F C 1.965 177.839 175.800 0.124 0.000 1.103 279 F CA -0.137 57.984 58.000 0.201 0.000 1.286 279 F CB 0.346 39.514 39.000 0.279 0.000 1.105 279 F HN 0.620 nan 8.300 nan 0.000 0.583 280 S N 2.428 118.255 115.700 0.211 0.000 2.383 280 S HA -0.279 -5.372 4.470 -15.939 0.000 0.229 280 S C 1.753 176.336 174.600 -0.028 0.000 1.030 280 S CA 1.357 59.606 58.200 0.082 0.000 1.002 280 S CB -0.747 62.488 63.200 0.058 0.000 0.829 280 S HN 0.789 nan 8.310 nan 0.000 0.467 281 K N 0.294 120.594 120.400 -0.166 0.000 2.360 281 K HA -0.072 -5.315 4.320 -15.939 0.000 0.201 281 K C 0.881 177.221 176.600 -0.434 0.000 1.046 281 K CA 1.301 57.362 56.287 -0.375 0.000 0.940 281 K CB -0.581 31.571 32.500 -0.580 0.000 0.748 281 K HN 0.511 nan 8.250 nan 0.000 0.465 282 F N 1.380 121.361 119.950 0.052 0.000 2.695 282 F HA 0.199 -4.838 4.527 -15.939 0.000 0.303 282 F C 0.371 176.134 175.800 -0.061 0.000 1.091 282 F CA -0.629 57.384 58.000 0.021 0.000 1.300 282 F CB 0.486 39.530 39.000 0.073 0.000 1.071 282 F HN -0.274 nan 8.300 nan 0.000 0.578 283 V N 2.764 122.686 119.914 0.013 0.000 2.432 283 V HA 0.266 -5.178 4.120 -15.939 0.000 0.275 283 V C -1.855 174.095 176.094 -0.240 0.000 1.043 283 V CA -1.974 60.222 62.300 -0.175 0.000 0.925 283 V CB 0.751 32.519 31.823 -0.092 0.000 0.985 283 V HN -0.093 nan 8.190 nan 0.000 0.466 284 P HA 0.206 nan 4.420 nan 0.000 0.270 284 P C 0.258 177.472 177.300 -0.142 0.000 1.223 284 P CA -0.234 62.697 63.100 -0.280 0.000 0.785 284 P CB 0.669 32.173 31.700 -0.326 0.000 0.923 285 K N -0.284 120.104 120.400 -0.021 0.000 2.358 285 K HA 0.145 -5.098 4.320 -15.939 0.000 0.197 285 K C 0.720 177.367 176.600 0.079 0.000 1.025 285 K CA 0.181 56.483 56.287 0.025 0.000 1.104 285 K CB 0.265 32.766 32.500 0.002 0.000 0.855 285 K HN 0.564 nan 8.250 nan 0.000 0.531 286 S N -0.276 115.503 115.700 0.131 0.000 2.900 286 S HA 0.353 -4.740 4.470 -15.939 0.000 0.320 286 S C -0.656 174.121 174.600 0.295 0.000 1.130 286 S CA -1.068 57.228 58.200 0.160 0.000 0.863 286 S CB 1.119 64.379 63.200 0.100 0.000 1.295 286 S HN -0.097 nan 8.310 nan 0.000 0.596 287 K N 1.009 121.528 120.400 0.199 0.000 2.491 287 K HA 0.258 -4.985 4.320 -15.939 0.000 0.279 287 K C -0.808 175.949 176.600 0.262 0.000 1.026 287 K CA 0.624 57.009 56.287 0.164 0.000 1.070 287 K CB -0.461 32.080 32.500 0.067 0.000 0.887 287 K HN 0.521 nan 8.250 nan 0.000 0.481 288 F N -0.769 119.220 119.950 0.065 0.000 2.662 288 F HA 0.644 -4.392 4.527 -15.939 0.000 0.312 288 F C -1.292 174.554 175.800 0.078 0.000 1.113 288 F CA -1.512 56.530 58.000 0.070 0.000 0.951 288 F CB 1.084 40.136 39.000 0.087 0.000 1.344 288 F HN 0.321 nan 8.300 nan 0.000 0.462 289 A N 2.126 125.067 122.820 0.201 0.000 2.260 289 A HA 0.663 -4.580 4.320 -15.939 0.000 0.314 289 A C -1.720 176.007 177.584 0.240 0.000 1.257 289 A CA -0.447 51.646 52.037 0.094 0.000 0.871 289 A CB 0.168 19.195 19.000 0.047 0.000 1.166 289 A HN 0.797 nan 8.150 nan 0.000 0.522 290 F N 3.763 123.735 119.950 0.037 0.000 2.420 290 F HA 0.612 -4.424 4.527 -15.938 0.000 0.342 290 F C 0.412 176.176 175.800 -0.060 0.000 1.113 290 F CA -0.077 57.954 58.000 0.052 0.000 1.059 290 F CB 1.533 40.595 39.000 0.104 0.000 1.128 290 F HN 0.573 nan 8.300 nan 0.000 0.475 291 S N 3.554 118.694 115.700 -0.933 0.000 2.570 291 S HA 0.887 -4.206 4.470 -15.939 0.000 0.286 291 S C -0.878 173.144 174.600 -0.963 0.000 1.099 291 S CA -0.331 57.433 58.200 -0.728 0.000 0.913 291 S CB 1.589 64.580 63.200 -0.348 0.000 1.085 291 S HN 1.042 nan 8.310 nan 0.000 0.480 292 S N 0.055 115.428 115.700 -0.545 0.000 2.550 292 S HA 0.671 -4.422 4.470 -15.939 0.000 0.270 292 S C -1.554 172.939 174.600 -0.179 0.000 1.145 292 S CA -0.754 57.232 58.200 -0.357 0.000 0.852 292 S CB 1.778 64.874 63.200 -0.173 0.000 1.119 292 S HN 0.981 nan 8.310 nan 0.000 0.465 293 E N 1.262 121.386 120.200 -0.126 0.000 2.241 293 E HA 0.597 -4.617 4.350 -15.939 0.000 0.263 293 E C -0.956 175.601 176.600 -0.072 0.000 0.882 293 E CA -0.946 55.398 56.400 -0.094 0.000 0.769 293 E CB 1.791 31.442 29.700 -0.083 0.000 1.185 293 E HN 0.841 nan 8.360 nan 0.000 0.415 294 V N 1.737 121.592 119.914 -0.098 0.000 2.960 294 V HA 0.680 -4.764 4.120 -15.939 0.000 0.315 294 V C -0.423 175.594 176.094 -0.128 0.000 1.087 294 V CA -0.900 61.331 62.300 -0.115 0.000 0.982 294 V CB 1.699 33.392 31.823 -0.217 0.000 1.039 294 V HN 0.633 nan 8.190 nan 0.000 0.437 295 I N 3.652 124.150 120.570 -0.120 0.000 2.404 295 I HA 0.625 -4.768 4.170 -15.939 0.000 0.293 295 I C -0.213 175.761 176.117 -0.238 0.000 0.992 295 I CA -0.634 60.559 61.300 -0.178 0.000 1.149 295 I CB 1.702 39.617 38.000 -0.141 0.000 1.315 295 I HN 0.788 nan 8.210 nan 0.000 0.446 296 I N 1.923 122.284 120.570 -0.347 0.000 3.108 296 I HA 0.560 -4.834 4.170 -15.939 0.000 0.312 296 I C -1.168 174.626 176.117 -0.539 0.000 1.095 296 I CA -0.846 60.268 61.300 -0.311 0.000 1.000 296 I CB 2.301 40.195 38.000 -0.176 0.000 1.229 296 I HN 0.491 nan 8.210 nan 0.000 0.454 297 H N 1.838 120.877 119.070 -0.052 0.000 2.448 297 H HA 0.319 -4.688 4.556 -15.939 0.000 0.237 297 H C -2.188 173.103 175.328 -0.061 0.000 1.391 297 H CA -1.440 54.580 56.048 -0.047 0.000 1.477 297 H CB 0.460 30.193 29.762 -0.048 0.000 1.520 297 H HN 0.431 nan 8.280 nan 0.000 0.502 298 P HA -0.206 nan 4.420 nan 0.000 0.217 298 P C 1.542 178.854 177.300 0.021 0.000 1.148 298 P CA 0.916 64.026 63.100 0.017 0.000 0.828 298 P CB 0.568 32.259 31.700 -0.016 0.000 0.783 299 E N -0.450 119.768 120.200 0.030 0.000 2.130 299 E HA -0.135 -5.348 4.350 -15.939 0.000 0.196 299 E C 1.837 178.384 176.600 -0.089 0.000 0.998 299 E CA 1.848 58.269 56.400 0.035 0.000 0.806 299 E CB -1.365 28.379 29.700 0.073 0.000 0.738 299 E HN 0.637 nan 8.360 nan 0.000 0.459 300 T N -2.392 112.018 114.554 -0.240 0.000 3.174 300 T HA 0.181 -5.032 4.350 -15.939 0.000 0.269 300 T C 0.350 174.484 174.700 -0.944 0.000 1.017 300 T CA -0.263 61.412 62.100 -0.708 0.000 0.899 300 T CB -0.212 68.463 68.868 -0.320 0.000 1.077 300 T HN -0.012 nan 8.240 nan 0.000 0.552 301 N N 1.410 119.812 118.700 -0.495 0.000 2.663 301 N HA 0.163 -4.660 4.740 -15.939 0.000 0.250 301 N C -0.445 174.924 175.510 -0.234 0.000 1.129 301 N CA -0.748 52.133 53.050 -0.282 0.000 0.995 301 N CB -0.083 38.373 38.487 -0.052 0.000 1.324 301 N HN 0.333 nan 8.380 nan 0.000 0.512 302 Y N 0.856 121.176 120.300 0.033 0.000 2.482 302 Y HA 0.297 -4.716 4.550 -15.939 0.000 0.270 302 Y C 1.931 177.857 175.900 0.043 0.000 1.152 302 Y CA -0.080 58.042 58.100 0.036 0.000 1.292 302 Y CB -0.227 38.258 38.460 0.042 0.000 1.070 302 Y HN 0.573 nan 8.280 nan 0.000 0.528 303 A N 0.232 123.090 122.820 0.062 0.000 2.119 303 A HA 0.109 -5.134 4.320 -15.939 0.000 0.216 303 A C 1.234 178.676 177.584 -0.238 0.000 1.152 303 A CA 0.442 52.452 52.037 -0.046 0.000 0.708 303 A CB -0.715 18.250 19.000 -0.059 0.000 0.805 303 A HN 0.508 nan 8.150 nan 0.000 0.460 304 L N -0.696 120.255 121.223 -0.453 0.000 3.608 304 L HA -0.171 -5.395 4.340 -15.939 0.000 0.422 304 L C 0.128 176.551 176.870 -0.746 0.000 1.260 304 L CA 0.511 54.674 54.840 -1.129 0.000 0.889 304 L CB -2.823 38.668 42.059 -0.947 0.000 1.821 304 L HN 0.429 nan 8.230 nan 0.000 0.884 305 T N -1.082 113.268 114.554 -0.340 0.000 2.933 305 T HA 0.692 -4.522 4.350 -15.939 0.000 0.305 305 T C 0.438 175.143 174.700 0.010 0.000 1.092 305 T CA 1.038 63.061 62.100 -0.128 0.000 1.008 305 T CB 2.040 70.816 68.868 -0.155 0.000 1.102 305 T HN 1.189 nan 8.240 nan 0.000 0.469 306 G N 2.840 111.682 108.800 0.070 0.000 2.498 306 G HA2 -0.099 -5.702 3.960 -15.939 0.000 0.245 306 G HA3 -0.099 -5.702 3.960 -15.939 0.000 0.245 306 G C -1.019 173.971 174.900 0.149 0.000 1.204 306 G CA -0.056 45.087 45.100 0.072 0.000 0.933 306 G HN 1.115 nan 8.290 nan 0.000 0.574 307 L N 1.771 123.046 121.223 0.087 0.000 2.282 307 L HA 0.813 -4.410 4.340 -15.939 0.000 0.288 307 L C -0.070 176.878 176.870 0.129 0.000 1.033 307 L CA -0.749 54.128 54.840 0.061 0.000 0.807 307 L CB 0.698 42.745 42.059 -0.021 0.000 1.209 307 L HN 1.043 nan 8.230 nan 0.000 0.423 308 Y N 2.087 122.372 120.300 -0.025 0.000 2.644 308 Y HA 0.606 -4.407 4.550 -15.939 0.000 0.338 308 Y C -1.113 174.793 175.900 0.011 0.000 1.119 308 Y CA -1.508 56.581 58.100 -0.018 0.000 1.060 308 Y CB 1.110 39.564 38.460 -0.009 0.000 1.294 308 Y HN 0.510 nan 8.280 nan 0.000 0.472 309 K N 1.569 122.064 120.400 0.158 0.000 2.240 309 K HA 0.517 -4.727 4.320 -15.939 0.000 0.271 309 K C -1.021 175.718 176.600 0.232 0.000 1.018 309 K CA -0.553 55.798 56.287 0.108 0.000 0.874 309 K CB 1.220 33.797 32.500 0.127 0.000 1.098 309 K HN 0.758 nan 8.250 nan 0.000 0.458 310 S N 4.617 120.404 115.700 0.145 0.000 2.520 310 S HA 0.224 -4.870 4.470 -15.939 0.000 0.324 310 S C 0.020 174.715 174.600 0.159 0.000 1.069 310 S CA -0.384 57.948 58.200 0.219 0.000 1.121 310 S CB 0.364 63.708 63.200 0.240 0.000 0.971 310 S HN 0.935 nan 8.310 nan 0.000 0.463 311 K N 3.672 124.167 120.400 0.159 0.000 1.902 311 K HA -0.252 -5.496 4.320 -15.939 0.000 0.144 311 K C -0.092 176.575 176.600 0.113 0.000 0.912 311 K CA 2.114 58.476 56.287 0.126 0.000 0.315 311 K CB -1.171 31.402 32.500 0.122 0.000 0.723 311 K HN 0.694 nan 8.250 nan 0.000 0.785 312 N N 0.801 119.559 118.700 0.096 0.000 2.273 312 N HA 0.259 -4.564 4.740 -15.939 0.000 0.231 312 N C -0.644 174.951 175.510 0.142 0.000 1.134 312 N CA 0.398 53.498 53.050 0.084 0.000 0.856 312 N CB 0.187 38.683 38.487 0.015 0.000 1.068 312 N HN 0.216 nan 8.380 nan 0.000 0.510 313 I N 1.376 122.028 120.570 0.138 0.000 2.433 313 I HA 0.314 -5.080 4.170 -15.939 0.000 0.292 313 I C -0.241 175.901 176.117 0.041 0.000 1.001 313 I CA -0.751 60.621 61.300 0.119 0.000 1.119 313 I CB 2.008 40.044 38.000 0.060 0.000 1.289 313 I HN -0.253 nan 8.210 nan 0.000 0.438 314 I N 6.724 127.287 120.570 -0.012 0.000 2.365 314 I HA 0.423 -4.970 4.170 -15.939 0.000 0.291 314 I C -0.086 175.890 176.117 -0.235 0.000 1.004 314 I CA -0.295 60.905 61.300 -0.167 0.000 1.311 314 I CB 1.324 39.149 38.000 -0.291 0.000 1.401 314 I HN 0.256 nan 8.210 nan 0.000 0.491 315 V N 6.153 125.850 119.914 -0.363 0.000 3.012 315 V HA 0.556 -4.887 4.120 -15.939 0.000 0.307 315 V C -0.274 175.585 176.094 -0.392 0.000 1.166 315 V CA -0.393 61.679 62.300 -0.379 0.000 0.974 315 V CB 2.610 34.215 31.823 -0.363 0.000 1.040 315 V HN 0.922 nan 8.190 nan 0.000 0.428 316 S N 4.345 119.936 115.700 -0.183 0.000 2.617 316 S HA 0.825 -4.269 4.470 -15.939 0.000 0.283 316 S C -0.701 173.961 174.600 0.103 0.000 1.189 316 S CA -0.572 57.622 58.200 -0.010 0.000 1.036 316 S CB 1.755 64.988 63.200 0.056 0.000 1.014 316 S HN 1.010 nan 8.310 nan 0.000 0.522 317 Q N 0.663 120.580 119.800 0.195 0.000 2.350 317 Q HA 0.476 -4.748 4.340 -15.939 0.000 0.255 317 Q C -0.898 175.173 176.000 0.117 0.000 0.951 317 Q CA -0.535 55.360 55.803 0.152 0.000 0.751 317 Q CB 0.659 29.454 28.738 0.097 0.000 1.296 317 Q HN 0.779 nan 8.270 nan 0.000 0.453 318 C N 2.361 121.751 119.300 0.151 0.000 2.935 318 C HA 0.286 -4.818 4.460 -15.939 0.000 0.308 318 C C 0.758 175.855 174.990 0.179 0.000 1.263 318 C CA -0.128 59.015 59.018 0.209 0.000 1.738 318 C CB 0.004 27.946 27.740 0.337 0.000 2.237 318 C HN 0.821 nan 8.230 nan 0.000 0.600 319 E N 0.973 121.261 120.200 0.146 0.000 2.344 319 E HA 0.347 -4.867 4.350 -15.939 0.000 0.270 319 E C 0.689 177.136 176.600 -0.255 0.000 1.021 319 E CA 0.111 56.522 56.400 0.018 0.000 0.887 319 E CB 0.961 30.701 29.700 0.068 0.000 0.997 319 E HN 0.435 nan 8.360 nan 0.000 0.429 320 A N 3.112 125.678 122.820 -0.423 0.000 1.956 320 A HA -0.019 -5.263 4.320 -15.939 0.000 0.212 320 A C 1.410 178.893 177.584 -0.168 0.000 1.188 320 A CA 1.062 52.729 52.037 -0.618 0.000 0.675 320 A CB 0.194 18.383 19.000 -1.350 0.000 0.845 320 A HN 0.647 nan 8.150 nan 0.000 0.455 321 T N -4.214 110.261 114.554 -0.131 0.000 3.415 321 T HA 0.435 -4.778 4.350 -15.939 0.000 0.282 321 T C 0.972 175.706 174.700 0.057 0.000 1.007 321 T CA 0.544 62.663 62.100 0.031 0.000 0.958 321 T CB 0.388 69.243 68.868 -0.020 0.000 1.171 321 T HN 0.237 nan 8.240 nan 0.000 0.500 322 G N 0.076 108.924 108.800 0.080 0.000 2.744 322 G HA2 0.115 -5.488 3.960 -15.939 0.000 0.211 322 G HA3 0.115 -5.488 3.960 -15.939 0.000 0.211 322 G C 0.800 175.774 174.900 0.124 0.000 1.146 322 G CA -0.306 44.836 45.100 0.070 0.000 0.787 322 G HN 0.465 nan 8.290 nan 0.000 0.534 323 F N 2.960 122.940 119.950 0.050 0.000 2.171 323 F HA -0.083 -5.119 4.527 -15.938 0.000 0.300 323 F C 2.817 178.600 175.800 -0.028 0.000 1.090 323 F CA 1.571 59.567 58.000 -0.007 0.000 1.293 323 F CB 0.075 39.041 39.000 -0.056 0.000 1.013 323 F HN 0.202 nan 8.300 nan 0.000 0.486 324 R N 0.276 120.835 120.500 0.097 0.000 2.303 324 R HA -0.121 -5.344 4.340 -15.939 0.000 0.225 324 R C 1.691 177.909 176.300 -0.137 0.000 1.114 324 R CA 1.384 57.491 56.100 0.012 0.000 1.007 324 R CB -0.745 29.632 30.300 0.129 0.000 0.861 324 R HN 0.282 nan 8.270 nan 0.000 0.471 325 R N 0.173 120.592 120.500 -0.135 0.000 2.297 325 R HA 0.236 -4.987 4.340 -15.939 0.000 0.197 325 R C 1.552 177.718 176.300 -0.224 0.000 0.943 325 R CA 0.436 56.449 56.100 -0.145 0.000 1.038 325 R CB 0.186 30.441 30.300 -0.075 0.000 0.957 325 R HN 0.323 nan 8.270 nan 0.000 0.484 326 I N -1.474 118.877 120.570 -0.364 0.000 2.947 326 I HA 0.056 -5.338 4.170 -15.939 0.000 0.263 326 I C 0.961 176.762 176.117 -0.527 0.000 1.130 326 I CA 0.544 61.582 61.300 -0.437 0.000 1.448 326 I CB 0.646 38.330 38.000 -0.527 0.000 1.222 326 I HN -0.068 nan 8.210 nan 0.000 0.453 327 T N -0.914 113.237 114.554 -0.672 0.000 2.739 327 T HA 0.422 -4.792 4.350 -15.939 0.000 0.303 327 T C -1.502 172.929 174.700 -0.447 0.000 1.389 327 T CA -0.597 61.160 62.100 -0.572 0.000 1.001 327 T CB 0.758 69.366 68.868 -0.434 0.000 1.436 327 T HN -0.161 nan 8.240 nan 0.000 0.500 328 F N 2.155 122.023 119.950 -0.136 0.000 2.529 328 F HA 0.636 -4.401 4.527 -15.939 0.000 0.365 328 F C 0.077 175.973 175.800 0.160 0.000 1.102 328 F CA 0.193 58.148 58.000 -0.075 0.000 1.271 328 F CB 0.278 39.077 39.000 -0.336 0.000 1.120 328 F HN 0.429 nan 8.300 nan 0.000 0.579 329 F N 2.096 122.269 119.950 0.371 0.000 2.741 329 F HA 0.441 -4.596 4.527 -15.940 0.000 0.311 329 F C -1.000 175.123 175.800 0.538 0.000 1.149 329 F CA -1.361 56.932 58.000 0.490 0.000 0.930 329 F CB 1.132 40.450 39.000 0.531 0.000 1.312 329 F HN 0.182 nan 8.300 nan 0.000 0.450 330 I N 3.119 123.734 120.570 0.075 0.000 2.227 330 I HA 0.119 -5.274 4.170 -15.939 0.000 0.297 330 I C -0.295 176.040 176.117 0.363 0.000 1.173 330 I CA 0.033 61.404 61.300 0.118 0.000 1.356 330 I CB -0.237 37.707 38.000 -0.093 0.000 1.485 330 I HN 0.315 nan 8.210 nan 0.000 0.604 331 D N 8.087 128.794 120.400 0.511 0.000 2.545 331 D HA 0.122 -4.801 4.640 -15.939 0.000 0.227 331 D C -0.044 176.523 176.300 0.444 0.000 1.150 331 D CA -0.100 54.247 54.000 0.579 0.000 1.046 331 D CB 0.140 41.242 40.800 0.503 0.000 1.098 331 D HN 0.514 nan 8.370 nan 0.000 0.502 332 R N 1.566 122.304 120.500 0.396 0.000 2.604 332 R HA 0.396 -4.827 4.340 -15.939 0.000 0.270 332 R C -2.460 173.938 176.300 0.164 0.000 1.052 332 R CA -1.430 54.828 56.100 0.263 0.000 0.902 332 R CB 1.062 31.486 30.300 0.207 0.000 1.233 332 R HN -0.183 nan 8.270 nan 0.000 0.455 333 P HA -0.167 nan 4.420 nan 0.000 0.225 333 P C 0.119 177.417 177.300 -0.003 0.000 1.148 333 P CA 1.179 64.234 63.100 -0.076 0.000 0.779 333 P CB 0.143 31.521 31.700 -0.537 0.000 0.780 334 D N -1.681 118.734 120.400 0.024 0.000 2.355 334 D HA -0.042 -4.966 4.640 -15.939 0.000 0.218 334 D C 0.665 177.026 176.300 0.101 0.000 1.004 334 D CA 0.349 54.390 54.000 0.068 0.000 0.880 334 D CB -0.570 40.308 40.800 0.129 0.000 0.911 334 D HN 0.082 nan 8.370 nan 0.000 0.528 335 M N 1.323 121.005 119.600 0.137 0.000 2.725 335 M HA 0.205 -4.878 4.480 -15.939 0.000 0.322 335 M C -0.213 176.203 176.300 0.193 0.000 1.393 335 M CA 0.142 55.534 55.300 0.153 0.000 1.452 335 M CB 0.227 32.924 32.600 0.162 0.000 1.242 335 M HN -0.055 nan 8.290 nan 0.000 0.487 336 M N 2.104 121.781 119.600 0.129 0.000 2.180 336 M HA 0.630 -4.453 4.480 -15.939 0.000 0.358 336 M C 0.110 176.490 176.300 0.134 0.000 1.233 336 M CA -0.075 55.297 55.300 0.120 0.000 1.114 336 M CB 0.844 33.482 32.600 0.064 0.000 1.594 336 M HN 0.603 nan 8.290 nan 0.000 0.467 337 A N 3.659 126.594 122.820 0.191 0.000 2.566 337 A HA 0.737 -4.506 4.320 -15.939 0.000 0.292 337 A C -0.865 176.819 177.584 0.166 0.000 1.112 337 A CA -0.954 51.163 52.037 0.132 0.000 0.707 337 A CB 1.691 20.739 19.000 0.080 0.000 1.302 337 A HN 0.754 nan 8.150 nan 0.000 0.409 338 K N 0.218 120.652 120.400 0.057 0.000 2.144 338 K HA 0.527 -4.717 4.320 -15.939 0.000 0.270 338 K C -1.659 174.952 176.600 0.018 0.000 1.005 338 K CA 0.190 56.538 56.287 0.102 0.000 0.932 338 K CB 0.843 33.370 32.500 0.045 0.000 1.021 338 K HN 0.581 nan 8.250 nan 0.000 0.462 339 Y N 0.503 120.825 120.300 0.036 0.000 2.376 339 Y HA 0.195 -4.818 4.550 -15.939 0.000 0.340 339 Y C -0.467 175.481 175.900 0.081 0.000 0.965 339 Y CA -0.838 57.298 58.100 0.060 0.000 1.078 339 Y CB 1.954 40.459 38.460 0.076 0.000 1.193 339 Y HN 0.523 nan 8.280 nan 0.000 0.452 340 D N 3.356 123.868 120.400 0.188 0.000 2.505 340 D HA 0.438 -4.485 4.640 -15.939 0.000 0.250 340 D C -1.731 174.683 176.300 0.189 0.000 1.164 340 D CA -0.221 53.876 54.000 0.162 0.000 0.870 340 D CB 1.632 42.483 40.800 0.086 0.000 1.160 340 D HN 0.286 nan 8.370 nan 0.000 0.549 341 V N 3.210 123.276 119.914 0.253 0.000 2.487 341 V HA 0.488 -4.955 4.120 -15.939 0.000 0.298 341 V C 0.244 176.501 176.094 0.273 0.000 1.028 341 V CA -0.602 61.863 62.300 0.276 0.000 0.860 341 V CB 1.984 34.032 31.823 0.374 0.000 0.991 341 V HN 0.527 nan 8.190 nan 0.000 0.427 342 T N 4.236 118.912 114.554 0.204 0.000 2.797 342 T HA 0.648 -4.565 4.350 -15.939 0.000 0.279 342 T C -0.428 174.353 174.700 0.136 0.000 0.991 342 T CA -0.425 61.792 62.100 0.195 0.000 0.979 342 T CB 1.645 70.626 68.868 0.187 0.000 0.943 342 T HN 0.387 nan 8.240 nan 0.000 0.444 343 V N 3.549 123.520 119.914 0.095 0.000 2.495 343 V HA 0.748 -4.695 4.120 -15.939 0.000 0.298 343 V C 0.374 176.395 176.094 -0.122 0.000 1.031 343 V CA -0.934 61.358 62.300 -0.014 0.000 0.871 343 V CB 1.645 33.442 31.823 -0.043 0.000 0.988 343 V HN 1.075 nan 8.190 nan 0.000 0.432 344 T N 1.326 115.802 114.554 -0.131 0.000 2.887 344 T HA 0.958 -4.255 4.350 -15.939 0.000 0.288 344 T C -0.517 174.069 174.700 -0.191 0.000 1.021 344 T CA -0.196 61.793 62.100 -0.185 0.000 1.000 344 T CB 2.174 70.990 68.868 -0.088 0.000 1.034 344 T HN 1.583 nan 8.240 nan 0.000 0.467 345 A N 1.656 124.401 122.820 -0.126 0.000 2.566 345 A HA 0.615 -4.628 4.320 -15.939 0.000 0.290 345 A C -1.162 176.515 177.584 0.154 0.000 1.071 345 A CA -0.940 51.077 52.037 -0.033 0.000 0.658 345 A CB 0.856 19.826 19.000 -0.049 0.000 1.285 345 A HN 1.000 nan 8.150 nan 0.000 0.427 346 D N 0.566 121.084 120.400 0.197 0.000 2.472 346 D HA 0.119 -4.804 4.640 -15.939 0.000 0.248 346 D C 1.106 177.490 176.300 0.141 0.000 1.174 346 D CA 0.658 54.749 54.000 0.152 0.000 0.883 346 D CB 0.727 41.596 40.800 0.115 0.000 1.149 346 D HN 0.535 nan 8.370 nan 0.000 0.488 347 K N 2.585 122.985 120.400 0.000 0.000 2.057 347 K HA -0.239 -5.483 4.320 -15.939 0.000 0.207 347 K C 2.090 178.567 176.600 -0.204 0.000 1.049 347 K CA 1.786 57.890 56.287 -0.304 0.000 0.931 347 K CB 0.017 32.248 32.500 -0.447 0.000 0.714 347 K HN 0.571 nan 8.250 nan 0.000 0.440 348 E N 1.498 121.619 120.200 -0.132 0.000 2.072 348 E HA -0.191 -5.404 4.350 -15.939 0.000 0.191 348 E C 1.799 178.303 176.600 -0.160 0.000 0.985 348 E CA 1.600 57.926 56.400 -0.123 0.000 0.801 348 E CB -0.386 29.258 29.700 -0.093 0.000 0.750 348 E HN 0.409 nan 8.360 nan 0.000 0.452 349 K N -1.473 118.789 120.400 -0.230 0.000 2.057 349 K HA -0.016 -5.259 4.320 -15.939 0.000 0.206 349 K C 0.046 176.267 176.600 -0.633 0.000 1.050 349 K CA 1.146 57.129 56.287 -0.508 0.000 0.935 349 K CB 0.050 32.094 32.500 -0.761 0.000 0.715 349 K HN 0.501 nan 8.250 nan 0.000 0.439 350 Y N 0.057 120.363 120.300 0.010 0.000 2.562 350 Y HA 0.199 -4.815 4.550 -15.939 0.000 0.363 350 Y C -2.012 173.964 175.900 0.126 0.000 0.991 350 Y CA -2.368 55.759 58.100 0.045 0.000 1.121 350 Y CB 0.850 39.333 38.460 0.039 0.000 1.159 350 Y HN 0.052 nan 8.280 nan 0.000 0.651 351 P HA -0.062 nan 4.420 nan 0.000 0.221 351 P C 0.254 177.680 177.300 0.210 0.000 1.150 351 P CA 0.941 64.089 63.100 0.080 0.000 0.800 351 P CB 0.862 32.561 31.700 -0.002 0.000 0.787 352 V N 2.045 122.053 119.914 0.157 0.000 2.347 352 V HA 0.253 -5.190 4.120 -15.939 0.000 0.280 352 V C 0.263 176.368 176.094 0.019 0.000 1.021 352 V CA -0.469 61.881 62.300 0.083 0.000 0.847 352 V CB 1.180 33.024 31.823 0.035 0.000 0.990 352 V HN -0.093 nan 8.190 nan 0.000 0.444 353 L N 6.716 127.943 121.223 0.006 0.000 2.341 353 L HA 0.707 -4.516 4.340 -15.939 0.000 0.278 353 L C -0.785 176.057 176.870 -0.047 0.000 1.005 353 L CA -0.438 54.376 54.840 -0.044 0.000 0.818 353 L CB 1.805 43.838 42.059 -0.044 0.000 1.259 353 L HN 0.412 nan 8.230 nan 0.000 0.418 354 L N 2.140 123.173 121.223 -0.316 0.000 2.431 354 L HA 0.699 -4.524 4.340 -15.939 0.000 0.266 354 L C -0.279 176.012 176.870 -0.965 0.000 0.978 354 L CA -0.132 54.336 54.840 -0.621 0.000 0.822 354 L CB 2.258 44.023 42.059 -0.489 0.000 1.310 354 L HN 0.644 nan 8.230 nan 0.000 0.409 355 S N 0.681 115.418 115.700 -1.606 0.000 2.840 355 S HA 0.548 -4.545 4.470 -15.939 0.000 0.307 355 S C -1.082 173.092 174.600 -0.710 0.000 1.180 355 S CA -0.741 56.822 58.200 -1.063 0.000 0.846 355 S CB 1.430 64.103 63.200 -0.878 0.000 1.233 355 S HN 0.703 nan 8.310 nan 0.000 0.548 356 N N 0.598 119.039 118.700 -0.431 0.000 2.482 356 N HA 0.566 -4.257 4.740 -15.939 0.000 0.260 356 N C 0.522 176.022 175.510 -0.017 0.000 1.236 356 N CA 0.673 53.598 53.050 -0.208 0.000 0.938 356 N CB 0.492 38.853 38.487 -0.211 0.000 1.128 356 N HN 1.038 nan 8.380 nan 0.000 0.448 357 G N 0.531 109.351 108.800 0.034 0.000 2.568 357 G HA2 -0.206 -5.809 3.960 -15.939 0.000 0.222 357 G HA3 -0.206 -5.809 3.960 -15.939 0.000 0.222 357 G C -1.508 173.500 174.900 0.180 0.000 1.321 357 G CA -0.658 44.503 45.100 0.102 0.000 0.893 357 G HN 0.613 nan 8.290 nan 0.000 0.569 358 D N 0.957 121.445 120.400 0.145 0.000 2.210 358 D HA 0.379 -4.544 4.640 -15.939 0.000 0.249 358 D C 0.504 176.819 176.300 0.025 0.000 1.078 358 D CA -0.217 53.841 54.000 0.096 0.000 0.875 358 D CB 1.678 42.501 40.800 0.038 0.000 1.175 358 D HN 0.580 nan 8.370 nan 0.000 0.440 359 K N 1.469 121.798 120.400 -0.119 0.000 2.363 359 K HA 0.106 -5.137 4.320 -15.939 0.000 0.289 359 K C 0.980 177.405 176.600 -0.292 0.000 1.063 359 K CA -0.232 55.722 56.287 -0.556 0.000 0.967 359 K CB 0.432 32.605 32.500 -0.545 0.000 0.987 359 K HN 0.310 nan 8.250 nan 0.000 0.473 360 V N 0.566 120.319 119.914 -0.267 0.000 3.621 360 V HA 0.288 -5.156 4.120 -15.939 0.000 0.263 360 V C -0.061 175.977 176.094 -0.093 0.000 1.272 360 V CA -0.072 62.155 62.300 -0.123 0.000 1.080 360 V CB -0.122 31.664 31.823 -0.062 0.000 0.816 360 V HN 0.701 nan 8.190 nan 0.000 0.451 361 N N 0.059 118.689 118.700 -0.117 0.000 2.367 361 N HA 0.442 -4.381 4.740 -15.939 0.000 0.278 361 N C -1.665 173.842 175.510 -0.005 0.000 1.117 361 N CA -0.359 52.685 53.050 -0.010 0.000 0.867 361 N CB 2.555 41.083 38.487 0.068 0.000 1.649 361 N HN 0.453 nan 8.380 nan 0.000 0.479 362 E N 1.381 121.615 120.200 0.056 0.000 2.272 362 E HA 0.564 -4.649 4.350 -15.939 0.000 0.269 362 E C -1.338 175.348 176.600 0.144 0.000 0.877 362 E CA -0.702 55.689 56.400 -0.015 0.000 0.755 362 E CB 1.828 31.497 29.700 -0.050 0.000 1.192 362 E HN 0.472 nan 8.360 nan 0.000 0.422 363 F N -0.898 119.043 119.950 -0.015 0.000 2.631 363 F HA 0.530 -4.506 4.527 -15.939 0.000 0.308 363 F C -0.532 175.300 175.800 0.053 0.000 1.097 363 F CA -1.264 56.742 58.000 0.011 0.000 0.952 363 F CB 0.989 39.984 39.000 -0.007 0.000 1.307 363 F HN 0.053 nan 8.300 nan 0.000 0.450 364 E N 2.407 122.740 120.200 0.222 0.000 2.313 364 E HA 0.545 -4.669 4.350 -15.939 0.000 0.272 364 E C -0.671 176.065 176.600 0.226 0.000 1.038 364 E CA -0.309 56.186 56.400 0.159 0.000 0.863 364 E CB 2.244 32.010 29.700 0.111 0.000 1.060 364 E HN 0.671 nan 8.360 nan 0.000 0.402 365 I N 2.687 123.355 120.570 0.163 0.000 2.545 365 I HA 0.249 -5.144 4.170 -15.939 0.000 0.292 365 I C -2.320 173.860 176.117 0.106 0.000 1.040 365 I CA -2.470 58.928 61.300 0.164 0.000 1.068 365 I CB 2.079 40.179 38.000 0.167 0.000 1.251 365 I HN 0.113 nan 8.210 nan 0.000 0.424 366 P HA 0.106 nan 4.420 nan 0.000 0.266 366 P C 0.645 177.985 177.300 0.067 0.000 1.193 366 P CA 0.551 63.691 63.100 0.068 0.000 0.770 366 P CB 0.488 32.224 31.700 0.059 0.000 0.836 367 G N 1.453 110.285 108.800 0.053 0.000 2.132 367 G HA2 0.013 -5.591 3.960 -15.939 0.000 0.228 367 G HA3 0.013 -5.591 3.960 -15.939 0.000 0.228 367 G C 0.735 175.663 174.900 0.047 0.000 1.000 367 G CA 0.250 45.381 45.100 0.052 0.000 0.693 367 G HN 1.073 nan 8.290 nan 0.000 0.515 368 G N -1.480 107.343 108.800 0.037 0.000 2.136 368 G HA2 -0.222 -5.825 3.960 -15.939 0.000 0.242 368 G HA3 -0.222 -5.825 3.960 -15.939 0.000 0.242 368 G C 0.387 175.302 174.900 0.026 0.000 0.989 368 G CA 1.140 46.252 45.100 0.019 0.000 0.682 368 G HN 1.008 nan 8.290 nan 0.000 0.522 369 R N -0.504 120.030 120.500 0.056 0.000 2.691 369 R HA 0.793 -4.430 4.340 -15.939 0.000 0.259 369 R C 0.379 176.761 176.300 0.136 0.000 1.048 369 R CA -0.204 55.949 56.100 0.089 0.000 1.086 369 R CB 1.001 31.341 30.300 0.067 0.000 1.166 369 R HN 0.776 nan 8.270 nan 0.000 0.526 370 H N -2.623 116.390 119.070 -0.094 0.000 3.014 370 H HA 0.648 -4.359 4.556 -15.939 0.000 0.337 370 H C -1.193 173.904 175.328 -0.386 0.000 1.320 370 H CA -1.377 54.547 56.048 -0.208 0.000 1.128 370 H CB 1.822 31.489 29.762 -0.158 0.000 1.862 370 H HN 0.738 nan 8.280 nan 0.000 0.536 371 G N -0.251 107.928 108.800 -1.035 0.000 2.574 371 G HA2 0.704 -4.899 3.960 -15.939 0.000 0.299 371 G HA3 0.704 -4.899 3.960 -15.939 0.000 0.299 371 G C -1.618 172.615 174.900 -1.112 0.000 1.298 371 G CA -0.641 43.679 45.100 -1.300 0.000 0.952 371 G HN 0.910 nan 8.290 nan 0.000 0.477 372 A N 0.767 123.257 122.820 -0.550 0.000 2.455 372 A HA 0.824 -4.419 4.320 -15.939 0.000 0.300 372 A C -0.450 177.088 177.584 -0.078 0.000 1.040 372 A CA -0.714 51.144 52.037 -0.298 0.000 0.697 372 A CB 1.748 20.613 19.000 -0.225 0.000 1.265 372 A HN 0.771 nan 8.150 nan 0.000 0.407 373 R N 1.670 122.092 120.500 -0.131 0.000 2.460 373 R HA 0.714 -4.510 4.340 -15.939 0.000 0.303 373 R C -1.910 174.205 176.300 -0.309 0.000 0.968 373 R CA -0.378 55.707 56.100 -0.026 0.000 0.889 373 R CB 0.743 31.080 30.300 0.062 0.000 1.123 373 R HN 0.568 nan 8.270 nan 0.000 0.455 374 F N 2.690 122.665 119.950 0.040 0.000 2.507 374 F HA 0.318 -4.718 4.527 -15.938 0.000 0.328 374 F C 0.009 175.840 175.800 0.052 0.000 1.136 374 F CA -0.950 57.066 58.000 0.027 0.000 0.930 374 F CB 1.847 40.849 39.000 0.003 0.000 1.166 374 F HN 0.446 nan 8.300 nan 0.000 0.436 375 N N 1.871 120.672 118.700 0.168 0.000 2.400 375 N HA 0.240 -4.583 4.740 -15.939 0.000 0.288 375 N C -1.627 173.960 175.510 0.129 0.000 1.024 375 N CA -0.382 52.749 53.050 0.134 0.000 0.894 375 N CB 1.206 39.737 38.487 0.075 0.000 1.173 375 N HN 0.487 nan 8.380 nan 0.000 0.487 376 D N 4.002 124.483 120.400 0.135 0.000 2.412 376 D HA 0.405 -4.518 4.640 -15.939 0.000 0.276 376 D C -1.977 174.377 176.300 0.090 0.000 1.196 376 D CA -2.016 52.043 54.000 0.099 0.000 0.905 376 D CB 1.324 42.175 40.800 0.087 0.000 1.081 376 D HN 0.316 nan 8.370 nan 0.000 0.502 377 P HA 0.004 nan 4.420 nan 0.000 0.216 377 P C -2.075 175.245 177.300 0.034 0.000 1.150 377 P CA 0.462 63.589 63.100 0.044 0.000 0.837 377 P CB -0.699 31.017 31.700 0.026 0.000 0.786 378 P HA 0.002 nan 4.420 nan 0.000 0.268 378 P C 0.051 177.360 177.300 0.016 0.000 1.205 378 P CA 0.306 63.403 63.100 -0.006 0.000 0.771 378 P CB 0.164 31.838 31.700 -0.043 0.000 0.858 379 L N 3.221 124.452 121.223 0.014 0.000 2.485 379 L HA 0.158 -5.065 4.340 -15.939 0.000 0.275 379 L C 1.120 177.994 176.870 0.007 0.000 1.207 379 L CA 0.622 55.485 54.840 0.038 0.000 0.855 379 L CB -0.251 41.823 42.059 0.025 0.000 1.114 379 L HN 0.520 nan 8.230 nan 0.000 0.485 380 K N 3.282 123.704 120.400 0.036 0.000 2.556 380 K HA 0.634 -4.609 4.320 -15.939 0.000 0.274 380 K C -3.015 173.564 176.600 -0.035 0.000 0.966 380 K CA -1.836 54.410 56.287 -0.068 0.000 0.865 380 K CB 2.109 34.492 32.500 -0.195 0.000 1.444 380 K HN 0.110 nan 8.250 nan 0.000 0.433 381 P HA 0.037 nan 4.420 nan 0.000 0.274 381 P C 0.976 178.113 177.300 -0.272 0.000 1.231 381 P CA -0.594 62.447 63.100 -0.098 0.000 0.790 381 P CB 0.898 32.541 31.700 -0.096 0.000 0.951 382 C N 0.570 119.752 119.300 -0.197 0.000 2.432 382 C HA -0.100 -5.204 4.460 -15.939 0.000 0.282 382 C C 2.626 177.406 174.990 -0.350 0.000 1.388 382 C CA 0.411 59.064 59.018 -0.608 0.000 1.777 382 C CB -2.552 24.489 27.740 -1.164 0.000 1.882 382 C HN 0.648 nan 8.230 nan 0.000 0.520 383 Y N 1.046 121.318 120.300 -0.047 0.000 2.574 383 Y HA 0.250 -4.763 4.550 -15.940 0.000 0.294 383 Y C 1.765 177.679 175.900 0.024 0.000 1.142 383 Y CA 0.717 58.873 58.100 0.093 0.000 1.314 383 Y CB -0.721 37.923 38.460 0.307 0.000 0.991 383 Y HN 0.265 nan 8.280 nan 0.000 0.555 384 L N -0.130 120.738 121.223 -0.591 0.000 2.607 384 L HA 0.151 -5.072 4.340 -15.939 0.000 0.228 384 L C 0.333 176.988 176.870 -0.358 0.000 1.123 384 L CA -0.457 54.096 54.840 -0.479 0.000 0.890 384 L CB -0.211 41.492 42.059 -0.594 0.000 1.103 384 L HN 0.220 nan 8.230 nan 0.000 0.468 385 F N 1.927 121.574 119.950 -0.504 0.000 2.529 385 F HA 0.428 -4.609 4.527 -15.940 0.000 0.365 385 F C 0.330 176.009 175.800 -0.202 0.000 1.102 385 F CA -0.517 57.213 58.000 -0.450 0.000 1.271 385 F CB 0.453 39.144 39.000 -0.515 0.000 1.120 385 F HN -0.091 nan 8.300 nan 0.000 0.579 386 A N 5.685 127.735 122.820 -1.284 0.000 2.574 386 A HA 0.711 -4.532 4.320 -15.939 0.000 0.297 386 A C -1.857 175.029 177.584 -1.164 0.000 1.062 386 A CA -0.566 50.875 52.037 -0.994 0.000 0.686 386 A CB 1.600 20.319 19.000 -0.468 0.000 1.285 386 A HN 1.094 nan 8.150 nan 0.000 0.403 387 V N 1.686 121.163 119.914 -0.729 0.000 2.841 387 V HA 0.805 -4.638 4.120 -15.939 0.000 0.310 387 V C -1.493 174.394 176.094 -0.346 0.000 1.090 387 V CA -0.399 61.598 62.300 -0.505 0.000 0.930 387 V CB 2.098 33.750 31.823 -0.285 0.000 1.014 387 V HN 1.110 nan 8.190 nan 0.000 0.425 388 V N 4.779 124.489 119.914 -0.339 0.000 2.760 388 V HA 0.950 -4.493 4.120 -15.939 0.000 0.309 388 V C -0.189 175.761 176.094 -0.239 0.000 1.077 388 V CA -0.061 62.075 62.300 -0.273 0.000 0.910 388 V CB 1.677 33.329 31.823 -0.284 0.000 1.008 388 V HN 1.306 nan 8.190 nan 0.000 0.424 389 A N 2.710 125.421 122.820 -0.181 0.000 2.381 389 A HA 1.035 -4.208 4.320 -15.939 0.000 0.299 389 A C -0.136 177.512 177.584 0.108 0.000 1.049 389 A CA 0.115 52.090 52.037 -0.102 0.000 0.715 389 A CB 1.829 20.651 19.000 -0.297 0.000 1.222 389 A HN 1.681 nan 8.150 nan 0.000 0.428 390 G N 0.193 109.116 108.800 0.205 0.000 2.441 390 G HA2 0.459 -5.144 3.960 -15.939 0.000 0.294 390 G HA3 0.459 -5.144 3.960 -15.939 0.000 0.294 390 G C -1.953 173.020 174.900 0.123 0.000 1.393 390 G CA -0.469 44.767 45.100 0.226 0.000 0.796 390 G HN 0.558 nan 8.290 nan 0.000 0.494 391 D N 0.628 121.064 120.400 0.060 0.000 2.524 391 D HA 0.428 -4.496 4.640 -15.939 0.000 0.222 391 D C 0.107 176.458 176.300 0.084 0.000 1.142 391 D CA -0.093 53.932 54.000 0.042 0.000 0.973 391 D CB -0.197 40.593 40.800 -0.018 0.000 1.025 391 D HN 0.302 nan 8.370 nan 0.000 0.519 392 L N 3.049 124.354 121.223 0.137 0.000 2.309 392 L HA 0.439 -4.784 4.340 -15.939 0.000 0.282 392 L C 0.705 177.754 176.870 0.298 0.000 1.036 392 L CA -0.916 54.059 54.840 0.225 0.000 0.806 392 L CB 1.430 43.641 42.059 0.254 0.000 1.220 392 L HN -0.080 nan 8.230 nan 0.000 0.429 393 K N 2.376 122.921 120.400 0.242 0.000 2.123 393 K HA 0.554 -4.690 4.320 -15.939 0.000 0.248 393 K C -0.697 175.996 176.600 0.155 0.000 0.969 393 K CA -0.640 55.739 56.287 0.153 0.000 0.882 393 K CB 1.867 34.383 32.500 0.027 0.000 1.080 393 K HN 0.674 nan 8.250 nan 0.000 0.441 394 H N -0.525 118.529 119.070 -0.027 0.000 2.980 394 H HA 0.547 -4.460 4.556 -15.939 0.000 0.367 394 H C -1.067 174.158 175.328 -0.173 0.000 1.206 394 H CA -0.923 54.986 56.048 -0.231 0.000 1.126 394 H CB 1.083 30.530 29.762 -0.524 0.000 1.838 394 H HN 0.298 nan 8.280 nan 0.000 0.552 395 L N 1.521 122.679 121.223 -0.108 0.000 2.333 395 L HA 0.582 -4.641 4.340 -15.939 0.000 0.269 395 L C 0.026 176.794 176.870 -0.169 0.000 1.010 395 L CA -0.879 53.891 54.840 -0.116 0.000 0.818 395 L CB 2.068 44.059 42.059 -0.113 0.000 1.306 395 L HN 0.892 nan 8.230 nan 0.000 0.430 396 S N 0.441 116.004 115.700 -0.228 0.000 2.618 396 S HA 0.974 -4.119 4.470 -15.939 0.000 0.277 396 S C -0.963 173.460 174.600 -0.295 0.000 1.138 396 S CA -0.547 57.373 58.200 -0.467 0.000 0.844 396 S CB 2.463 65.087 63.200 -0.960 0.000 1.127 396 S HN 0.945 nan 8.310 nan 0.000 0.474 397 A N 0.662 123.311 122.820 -0.285 0.000 2.602 397 A HA 0.851 -4.392 4.320 -15.939 0.000 0.290 397 A C -0.747 176.776 177.584 -0.100 0.000 1.114 397 A CA -0.850 51.099 52.037 -0.148 0.000 0.683 397 A CB 1.244 20.191 19.000 -0.089 0.000 1.281 397 A HN 0.871 nan 8.150 nan 0.000 0.416 398 T N 0.966 115.499 114.554 -0.036 0.000 2.794 398 T HA 0.540 -4.673 4.350 -15.939 0.000 0.280 398 T C -1.277 173.459 174.700 0.060 0.000 0.987 398 T CA 0.136 62.246 62.100 0.017 0.000 0.993 398 T CB 0.634 69.506 68.868 0.007 0.000 0.939 398 T HN 0.477 nan 8.240 nan 0.000 0.449 399 Y N 3.094 123.378 120.300 -0.027 0.000 2.352 399 Y HA 0.626 -4.387 4.550 -15.938 0.000 0.339 399 Y C -0.783 175.125 175.900 0.014 0.000 0.992 399 Y CA -1.212 56.874 58.100 -0.022 0.000 1.100 399 Y CB 0.765 39.197 38.460 -0.048 0.000 1.192 399 Y HN 0.555 nan 8.280 nan 0.000 0.458 400 I N 6.093 126.452 120.570 -0.352 0.000 2.330 400 I HA 0.223 -5.170 4.170 -15.939 0.000 0.289 400 I C 0.216 176.211 176.117 -0.204 0.000 1.001 400 I CA -0.805 60.393 61.300 -0.169 0.000 1.193 400 I CB 1.470 39.381 38.000 -0.148 0.000 1.345 400 I HN 0.675 nan 8.210 nan 0.000 0.461 401 T N 1.641 116.254 114.554 0.098 0.000 2.855 401 T HA 0.067 -5.146 4.350 -15.939 0.000 0.314 401 T C 1.003 175.728 174.700 0.041 0.000 1.077 401 T CA -0.312 61.914 62.100 0.210 0.000 1.095 401 T CB 1.449 70.488 68.868 0.285 0.000 0.987 401 T HN 0.714 nan 8.240 nan 0.000 0.546 402 K N 0.640 121.038 120.400 -0.003 0.000 2.057 402 K HA -0.079 -5.322 4.320 -15.939 0.000 0.206 402 K C 1.300 177.682 176.600 -0.364 0.000 1.050 402 K CA 1.386 57.495 56.287 -0.297 0.000 0.935 402 K CB -0.146 32.005 32.500 -0.580 0.000 0.715 402 K HN 0.797 nan 8.250 nan 0.000 0.439 403 Y N -0.813 119.536 120.300 0.082 0.000 2.382 403 Y HA 0.005 -5.008 4.550 -15.939 0.000 0.292 403 Y C 2.568 178.503 175.900 0.059 0.000 1.151 403 Y CA 1.038 59.175 58.100 0.063 0.000 1.198 403 Y CB -0.471 38.029 38.460 0.065 0.000 1.195 403 Y HN 0.134 nan 8.280 nan 0.000 0.530 404 T N -2.105 112.588 114.554 0.233 0.000 3.067 404 T HA 0.024 -5.190 4.350 -15.939 0.000 0.261 404 T C 0.805 175.569 174.700 0.106 0.000 1.110 404 T CA 0.584 62.775 62.100 0.152 0.000 1.113 404 T CB -0.333 68.623 68.868 0.146 0.000 0.917 404 T HN 0.263 nan 8.240 nan 0.000 0.499 405 K N 0.627 121.082 120.400 0.093 0.000 3.209 405 K HA -0.175 -5.418 4.320 -15.939 0.000 0.289 405 K C 0.150 176.791 176.600 0.068 0.000 1.191 405 K CA 0.609 56.929 56.287 0.054 0.000 0.851 405 K CB -1.457 31.060 32.500 0.029 0.000 1.242 405 K HN 0.641 nan 8.250 nan 0.000 0.480 406 K N 2.435 122.898 120.400 0.105 0.000 2.451 406 K HA 0.040 -5.203 4.320 -15.939 0.000 0.280 406 K C -0.306 176.370 176.600 0.128 0.000 1.020 406 K CA 0.221 56.577 56.287 0.115 0.000 1.008 406 K CB 0.522 33.105 32.500 0.138 0.000 0.917 406 K HN 0.005 nan 8.250 nan 0.000 0.478 407 K N 3.063 123.527 120.400 0.107 0.000 2.339 407 K HA 0.161 -5.082 4.320 -15.939 0.000 0.286 407 K C -0.844 175.853 176.600 0.160 0.000 1.050 407 K CA -0.521 55.833 56.287 0.111 0.000 0.956 407 K CB 1.310 33.857 32.500 0.078 0.000 0.990 407 K HN 0.318 nan 8.250 nan 0.000 0.475 408 V N 2.393 122.427 119.914 0.200 0.000 2.448 408 V HA 0.098 -5.346 4.120 -15.939 0.000 0.295 408 V C -0.169 176.028 176.094 0.172 0.000 1.025 408 V CA -0.900 61.538 62.300 0.231 0.000 0.859 408 V CB 1.764 33.763 31.823 0.293 0.000 0.988 408 V HN 0.606 nan 8.190 nan 0.000 0.431 409 E N 5.178 125.488 120.200 0.183 0.000 2.223 409 E HA 0.477 -4.737 4.350 -15.939 0.000 0.282 409 E C -0.416 176.281 176.600 0.161 0.000 1.046 409 E CA -0.350 56.157 56.400 0.179 0.000 0.857 409 E CB 1.451 31.344 29.700 0.320 0.000 1.055 409 E HN 0.549 nan 8.360 nan 0.000 0.409 410 L N 3.561 124.789 121.223 0.008 0.000 2.287 410 L HA 0.523 -4.701 4.340 -15.939 0.000 0.287 410 L C -0.750 176.024 176.870 -0.160 0.000 1.022 410 L CA -0.727 54.089 54.840 -0.041 0.000 0.814 410 L CB 0.650 42.642 42.059 -0.113 0.000 1.217 410 L HN 0.660 nan 8.230 nan 0.000 0.420 411 Y N 2.341 122.592 120.300 -0.081 0.000 2.376 411 Y HA 0.512 -4.501 4.550 -15.939 0.000 0.340 411 Y C 0.028 175.790 175.900 -0.230 0.000 0.965 411 Y CA -1.053 56.914 58.100 -0.220 0.000 1.078 411 Y CB 2.393 40.695 38.460 -0.263 0.000 1.193 411 Y HN 0.319 nan 8.280 nan 0.000 0.452 412 V N 0.967 120.744 119.914 -0.228 0.000 2.448 412 V HA 0.656 -4.787 4.120 -15.939 0.000 0.295 412 V C -1.102 174.857 176.094 -0.225 0.000 1.025 412 V CA -1.001 61.211 62.300 -0.148 0.000 0.859 412 V CB 0.883 32.620 31.823 -0.142 0.000 0.988 412 V HN 0.537 nan 8.190 nan 0.000 0.431 413 F N 3.263 123.260 119.950 0.079 0.000 2.508 413 F HA 0.888 -4.149 4.527 -15.940 0.000 0.325 413 F C 0.620 176.459 175.800 0.064 0.000 1.090 413 F CA -0.037 58.024 58.000 0.102 0.000 0.945 413 F CB 2.414 41.472 39.000 0.096 0.000 1.156 413 F HN 0.916 nan 8.300 nan 0.000 0.463 414 S N 0.142 116.002 115.700 0.266 0.000 2.656 414 S HA 0.445 -4.648 4.470 -15.939 0.000 0.273 414 S C -1.106 173.603 174.600 0.182 0.000 1.168 414 S CA -1.256 57.061 58.200 0.195 0.000 0.817 414 S CB 1.385 64.679 63.200 0.156 0.000 1.146 414 S HN 0.718 nan 8.310 nan 0.000 0.475 415 E N 0.440 120.739 120.200 0.165 0.000 2.438 415 E HA 0.066 -5.148 4.350 -15.939 0.000 0.261 415 E C 0.788 177.427 176.600 0.065 0.000 1.103 415 E CA -0.118 56.351 56.400 0.115 0.000 0.959 415 E CB 0.337 30.105 29.700 0.113 0.000 0.958 415 E HN 0.798 nan 8.360 nan 0.000 0.447 416 E N 1.937 122.143 120.200 0.010 0.000 2.085 416 E HA -0.306 -5.519 4.350 -15.939 0.000 0.194 416 E C 1.937 178.480 176.600 -0.094 0.000 0.994 416 E CA 1.675 58.058 56.400 -0.029 0.000 0.801 416 E CB 0.001 29.678 29.700 -0.039 0.000 0.743 416 E HN 0.638 nan 8.360 nan 0.000 0.453 417 K N -0.631 119.643 120.400 -0.209 0.000 2.113 417 K HA -0.196 -5.439 4.320 -15.939 0.000 0.208 417 K C 0.898 177.242 176.600 -0.426 0.000 1.047 417 K CA 1.639 57.670 56.287 -0.427 0.000 0.928 417 K CB -0.076 31.970 32.500 -0.756 0.000 0.716 417 K HN 0.241 nan 8.250 nan 0.000 0.446 418 Y N -1.064 119.240 120.300 0.008 0.000 2.531 418 Y HA 0.094 -4.919 4.550 -15.938 0.000 0.249 418 Y C 1.346 177.244 175.900 -0.002 0.000 1.168 418 Y CA -0.573 57.530 58.100 0.004 0.000 1.226 418 Y CB 0.214 38.681 38.460 0.012 0.000 1.177 418 Y HN -0.147 nan 8.280 nan 0.000 0.527 419 V N 0.507 120.475 119.914 0.091 0.000 2.469 419 V HA -0.288 -5.731 4.120 -15.939 0.000 0.251 419 V C 2.141 178.249 176.094 0.024 0.000 1.064 419 V CA 2.646 64.972 62.300 0.044 0.000 1.066 419 V CB -0.509 31.314 31.823 -0.001 0.000 0.667 419 V HN 0.616 nan 8.190 nan 0.000 0.461 420 S N -0.910 114.808 115.700 0.029 0.000 2.474 420 S HA -0.147 -5.240 4.470 -15.939 0.000 0.235 420 S C 1.657 176.277 174.600 0.033 0.000 0.997 420 S CA 1.132 59.344 58.200 0.020 0.000 0.949 420 S CB -0.500 62.710 63.200 0.017 0.000 0.766 420 S HN 0.737 nan 8.310 nan 0.000 0.517 421 K N 0.501 120.933 120.400 0.053 0.000 2.458 421 K HA 0.339 -4.904 4.320 -15.939 0.000 0.194 421 K C 0.932 177.537 176.600 0.007 0.000 1.024 421 K CA 0.020 56.327 56.287 0.034 0.000 1.108 421 K CB -0.106 32.417 32.500 0.039 0.000 0.846 421 K HN 0.390 nan 8.250 nan 0.000 0.518 422 L N 0.160 121.385 121.223 0.002 0.000 2.529 422 L HA -0.013 -5.236 4.340 -15.939 0.000 0.223 422 L C 2.264 179.118 176.870 -0.027 0.000 1.113 422 L CA 0.193 55.013 54.840 -0.034 0.000 0.861 422 L CB 0.091 42.122 42.059 -0.047 0.000 1.012 422 L HN 0.095 nan 8.230 nan 0.000 0.461 423 Q N 0.342 120.156 119.800 0.023 0.000 2.084 423 Q HA -0.266 -5.490 4.340 -15.939 0.000 0.202 423 Q C 1.988 178.059 176.000 0.119 0.000 0.978 423 Q CA 1.979 57.813 55.803 0.051 0.000 0.844 423 Q CB -0.376 28.404 28.738 0.071 0.000 0.898 423 Q HN 0.578 nan 8.270 nan 0.000 0.426 424 W N 0.159 121.428 121.300 -0.052 0.000 2.355 424 W HA -0.238 -5.141 4.660 -15.939 0.000 0.309 424 W C 1.773 178.243 176.519 -0.082 0.000 1.206 424 W CA 1.495 58.818 57.345 -0.037 0.000 1.284 424 W CB -0.240 29.199 29.460 -0.034 0.000 1.145 424 W HN 0.288 nan 8.180 nan 0.000 0.502 425 A N 0.966 123.652 122.820 -0.223 0.000 1.917 425 A HA -0.286 -5.529 4.320 -15.939 0.000 0.219 425 A C 1.898 179.273 177.584 -0.349 0.000 1.182 425 A CA 1.953 53.758 52.037 -0.386 0.000 0.633 425 A CB -1.247 17.544 19.000 -0.348 0.000 0.819 425 A HN 0.370 nan 8.150 nan 0.000 0.448 426 L N -0.003 121.082 121.223 -0.229 0.000 2.012 426 L HA -0.165 -5.388 4.340 -15.939 0.000 0.210 426 L C 2.334 179.085 176.870 -0.198 0.000 1.073 426 L CA 2.336 57.061 54.840 -0.192 0.000 0.748 426 L CB -0.756 41.227 42.059 -0.127 0.000 0.891 426 L HN 0.412 nan 8.230 nan 0.000 0.431 427 E N -0.896 119.196 120.200 -0.180 0.000 2.077 427 E HA -0.223 -5.437 4.350 -15.939 0.000 0.193 427 E C 2.365 178.772 176.600 -0.321 0.000 0.989 427 E CA 1.669 57.966 56.400 -0.171 0.000 0.800 427 E CB -0.946 28.738 29.700 -0.027 0.000 0.746 427 E HN 0.563 nan 8.360 nan 0.000 0.452 428 C N 0.843 119.791 119.300 -0.586 0.000 2.425 428 C HA -0.102 -5.205 4.460 -15.939 0.000 0.277 428 C C 2.748 177.546 174.990 -0.318 0.000 1.280 428 C CA 0.318 59.027 59.018 -0.515 0.000 1.744 428 C CB -1.069 26.254 27.740 -0.695 0.000 1.989 428 C HN 0.340 nan 8.230 nan 0.000 0.491 429 L N 1.612 122.619 121.223 -0.361 0.000 1.994 429 L HA -0.134 -5.358 4.340 -15.939 0.000 0.208 429 L C 2.446 179.027 176.870 -0.482 0.000 1.071 429 L CA 1.900 56.488 54.840 -0.421 0.000 0.745 429 L CB -0.804 41.040 42.059 -0.358 0.000 0.892 429 L HN 0.272 nan 8.230 nan 0.000 0.431 430 K N -0.397 119.813 120.400 -0.316 0.000 2.044 430 K HA -0.255 -5.498 4.320 -15.939 0.000 0.210 430 K C 2.127 178.649 176.600 -0.131 0.000 1.049 430 K CA 2.119 58.287 56.287 -0.199 0.000 0.927 430 K CB -0.269 32.238 32.500 0.012 0.000 0.713 430 K HN 0.340 nan 8.250 nan 0.000 0.443 431 K N 0.414 120.782 120.400 -0.054 0.000 2.097 431 K HA -0.091 -5.334 4.320 -15.939 0.000 0.206 431 K C 2.335 179.013 176.600 0.130 0.000 1.049 431 K CA 1.518 57.890 56.287 0.141 0.000 0.933 431 K CB -0.035 32.612 32.500 0.244 0.000 0.717 431 K HN 0.029 nan 8.250 nan 0.000 0.442 432 S N 1.042 116.571 115.700 -0.286 0.000 2.355 432 S HA -0.099 -5.193 4.470 -15.939 0.000 0.222 432 S C 1.944 176.271 174.600 -0.454 0.000 1.031 432 S CA 1.273 59.029 58.200 -0.741 0.000 0.993 432 S CB -0.118 62.458 63.200 -1.039 0.000 0.859 432 S HN 0.229 nan 8.310 nan 0.000 0.453 433 M N 1.353 120.482 119.600 -0.785 0.000 2.086 433 M HA -0.113 -5.196 4.480 -15.939 0.000 0.261 433 M C 2.563 178.814 176.300 -0.083 0.000 1.067 433 M CA 1.574 56.469 55.300 -0.676 0.000 1.116 433 M CB -0.673 31.198 32.600 -1.215 0.000 1.348 433 M HN 0.391 nan 8.290 nan 0.000 0.407 434 A N 0.153 122.993 122.820 0.032 0.000 1.908 434 A HA -0.212 -5.455 4.320 -15.939 0.000 0.218 434 A C 2.038 179.789 177.584 0.279 0.000 1.181 434 A CA 1.601 53.788 52.037 0.250 0.000 0.627 434 A CB -1.067 18.098 19.000 0.274 0.000 0.818 434 A HN 0.511 nan 8.150 nan 0.000 0.445 435 F N 0.903 120.979 119.950 0.211 0.000 2.102 435 F HA -0.182 -5.222 4.527 -15.944 0.000 0.298 435 F C 1.904 177.884 175.800 0.300 0.000 1.105 435 F CA 2.151 60.319 58.000 0.281 0.000 1.239 435 F CB -0.272 38.978 39.000 0.417 0.000 0.991 435 F HN 0.254 nan 8.300 nan 0.000 0.474 436 D N 0.199 120.854 120.400 0.424 0.000 2.178 436 D HA -0.163 -5.086 4.640 -15.939 0.000 0.201 436 D C 2.137 178.591 176.300 0.256 0.000 0.980 436 D CA 1.315 55.548 54.000 0.389 0.000 0.842 436 D CB -0.136 41.023 40.800 0.598 0.000 0.948 436 D HN 0.497 nan 8.370 nan 0.000 0.472 437 E N -0.084 120.267 120.200 0.252 0.000 2.047 437 E HA -0.132 -5.345 4.350 -15.939 0.000 0.191 437 E C 1.519 178.218 176.600 0.166 0.000 0.987 437 E CA 0.980 57.532 56.400 0.254 0.000 0.799 437 E CB 0.106 29.949 29.700 0.239 0.000 0.752 437 E HN 0.284 nan 8.360 nan 0.000 0.449 438 D N -0.390 120.043 120.400 0.055 0.000 2.137 438 D HA -0.124 -5.047 4.640 -15.939 0.000 0.202 438 D C 1.645 177.850 176.300 -0.159 0.000 0.970 438 D CA 0.939 54.926 54.000 -0.022 0.000 0.837 438 D CB -0.231 40.570 40.800 0.000 0.000 0.981 438 D HN 0.172 nan 8.370 nan 0.000 0.475 439 Y N -0.784 119.205 120.300 -0.518 0.000 2.262 439 Y HA -0.010 -5.028 4.550 -15.947 0.000 0.295 439 Y C 1.548 177.015 175.900 -0.722 0.000 1.121 439 Y CA 1.144 58.776 58.100 -0.781 0.000 1.144 439 Y CB 0.087 37.687 38.460 -1.434 0.000 1.043 439 Y HN -0.191 nan 8.280 nan 0.000 0.528 440 F N -0.768 119.105 119.950 -0.129 0.000 2.731 440 F HA 0.321 -4.722 4.527 -15.950 0.000 0.298 440 F C 1.773 177.522 175.800 -0.086 0.000 1.106 440 F CA 0.631 58.551 58.000 -0.133 0.000 1.329 440 F CB 0.340 39.219 39.000 -0.202 0.000 1.100 440 F HN 0.074 nan 8.300 nan 0.000 0.592 441 G N 1.445 110.314 108.800 0.115 0.000 2.160 441 G HA2 -0.290 -5.893 3.960 -15.939 0.000 0.251 441 G HA3 -0.290 -5.893 3.960 -15.939 0.000 0.251 441 G C -0.078 174.891 174.900 0.115 0.000 1.008 441 G CA -0.100 45.066 45.100 0.111 0.000 0.724 441 G HN 0.267 nan 8.290 nan 0.000 0.514 442 L N 0.433 121.738 121.223 0.137 0.000 2.287 442 L HA 0.558 -4.666 4.340 -15.939 0.000 0.287 442 L C 0.420 177.464 176.870 0.289 0.000 1.022 442 L CA -0.679 54.178 54.840 0.027 0.000 0.814 442 L CB 1.310 43.121 42.059 -0.413 0.000 1.217 442 L HN 0.171 nan 8.230 nan 0.000 0.420 443 E N 1.555 121.989 120.200 0.391 0.000 2.212 443 E HA 0.243 -4.970 4.350 -15.939 0.000 0.270 443 E C -1.246 175.666 176.600 0.521 0.000 0.956 443 E CA -0.928 55.745 56.400 0.454 0.000 0.825 443 E CB 2.155 32.091 29.700 0.393 0.000 1.167 443 E HN 0.307 nan 8.360 nan 0.000 0.400 444 Y N 3.067 123.582 120.300 0.358 0.000 2.511 444 Y HA -0.068 -5.083 4.550 -15.940 0.000 0.332 444 Y C 0.997 177.005 175.900 0.180 0.000 1.177 444 Y CA 0.214 58.476 58.100 0.270 0.000 1.422 444 Y CB 0.568 39.194 38.460 0.277 0.000 1.271 444 Y HN 0.536 nan 8.280 nan 0.000 0.550 445 D N 3.781 123.945 120.400 -0.394 0.000 2.379 445 D HA 0.043 -4.880 4.640 -15.939 0.000 0.208 445 D C -0.046 176.065 176.300 -0.315 0.000 1.065 445 D CA 0.399 54.239 54.000 -0.266 0.000 0.848 445 D CB 0.100 40.753 40.800 -0.245 0.000 0.949 445 D HN 0.386 nan 8.370 nan 0.000 0.509 446 L N 0.715 121.562 121.223 -0.627 0.000 2.332 446 L HA 0.306 -4.917 4.340 -15.939 0.000 0.269 446 L C 1.355 178.265 176.870 0.068 0.000 1.016 446 L CA -0.728 53.944 54.840 -0.281 0.000 0.809 446 L CB 1.833 43.708 42.059 -0.308 0.000 1.280 446 L HN -0.170 nan 8.230 nan 0.000 0.447 447 S N -0.513 115.263 115.700 0.127 0.000 2.558 447 S HA 0.106 -4.987 4.470 -15.939 0.000 0.217 447 S C 0.502 175.252 174.600 0.250 0.000 0.975 447 S CA -0.087 58.223 58.200 0.184 0.000 0.912 447 S CB 0.028 63.300 63.200 0.121 0.000 0.776 447 S HN 0.657 nan 8.310 nan 0.000 0.526 448 R N -0.244 120.443 120.500 0.313 0.000 2.626 448 R HA 0.638 -4.586 4.340 -15.939 0.000 0.274 448 R C -2.240 174.261 176.300 0.336 0.000 1.031 448 R CA -0.679 55.596 56.100 0.292 0.000 0.898 448 R CB 1.333 31.758 30.300 0.209 0.000 1.222 448 R HN 0.292 nan 8.270 nan 0.000 0.455 449 L N 3.883 125.227 121.223 0.202 0.000 2.381 449 L HA 0.562 -4.661 4.340 -15.939 0.000 0.274 449 L C -1.311 175.654 176.870 0.159 0.000 0.988 449 L CA -0.862 54.047 54.840 0.115 0.000 0.824 449 L CB 1.989 43.940 42.059 -0.180 0.000 1.263 449 L HN 0.732 nan 8.230 nan 0.000 0.410 450 N N 5.118 123.928 118.700 0.184 0.000 2.400 450 N HA 0.511 -4.313 4.740 -15.939 0.000 0.288 450 N C -1.251 174.405 175.510 0.243 0.000 1.024 450 N CA -0.535 52.676 53.050 0.269 0.000 0.894 450 N CB 2.511 41.141 38.487 0.239 0.000 1.173 450 N HN 0.275 nan 8.380 nan 0.000 0.487 451 L N 1.971 123.365 121.223 0.284 0.000 2.333 451 L HA 0.505 -4.718 4.340 -15.939 0.000 0.280 451 L C -0.370 176.690 176.870 0.317 0.000 1.004 451 L CA -0.796 54.216 54.840 0.288 0.000 0.820 451 L CB 1.852 43.929 42.059 0.030 0.000 1.247 451 L HN 0.202 nan 8.230 nan 0.000 0.416 452 V N 2.312 122.421 119.914 0.326 0.000 2.531 452 V HA 0.806 -4.638 4.120 -15.939 0.000 0.301 452 V C -0.035 176.171 176.094 0.187 0.000 1.034 452 V CA -0.907 61.533 62.300 0.234 0.000 0.865 452 V CB 1.727 33.600 31.823 0.083 0.000 0.995 452 V HN 0.820 nan 8.190 nan 0.000 0.424 453 A N 4.714 127.612 122.820 0.129 0.000 2.290 453 A HA 0.862 -4.381 4.320 -15.939 0.000 0.310 453 A C -0.285 177.345 177.584 0.076 0.000 1.202 453 A CA -0.434 51.650 52.037 0.079 0.000 0.837 453 A CB 1.099 20.122 19.000 0.037 0.000 1.139 453 A HN 1.460 nan 8.150 nan 0.000 0.509 454 V N 0.561 120.508 119.914 0.054 0.000 2.914 454 V HA 0.609 -4.835 4.120 -15.939 0.000 0.314 454 V C 0.645 176.823 176.094 0.141 0.000 1.084 454 V CA -0.157 62.207 62.300 0.107 0.000 0.963 454 V CB 1.431 33.337 31.823 0.137 0.000 1.025 454 V HN 0.722 nan 8.190 nan 0.000 0.432 455 S N 1.410 117.208 115.700 0.164 0.000 2.414 455 S HA 0.048 -5.046 4.470 -15.939 0.000 0.227 455 S C 0.181 174.904 174.600 0.204 0.000 1.022 455 S CA 1.250 59.544 58.200 0.155 0.000 0.958 455 S CB -0.253 63.034 63.200 0.146 0.000 0.797 455 S HN 0.988 nan 8.310 nan 0.000 0.493 456 D N 0.011 120.580 120.400 0.281 0.000 2.392 456 D HA 0.573 -4.351 4.640 -15.939 0.000 0.228 456 D C -1.090 175.475 176.300 0.442 0.000 1.074 456 D CA -0.131 54.053 54.000 0.308 0.000 0.838 456 D CB 0.904 41.884 40.800 0.301 0.000 1.067 456 D HN 0.059 nan 8.370 nan 0.000 0.511 457 F N 1.923 121.952 119.950 0.131 0.000 2.615 457 F HA 0.270 -4.767 4.527 -15.940 0.000 0.312 457 F C 0.387 176.206 175.800 0.033 0.000 1.119 457 F CA -0.811 57.253 58.000 0.107 0.000 0.979 457 F CB 1.792 40.866 39.000 0.123 0.000 1.266 457 F HN 0.071 nan 8.300 nan 0.000 0.444 458 N N 1.731 120.217 118.700 -0.357 0.000 2.270 458 N HA -0.024 -4.847 4.740 -15.939 0.000 0.181 458 N C 0.447 175.904 175.510 -0.089 0.000 1.016 458 N CA 1.674 54.587 53.050 -0.229 0.000 0.870 458 N CB 0.215 38.495 38.487 -0.344 0.000 0.979 458 N HN 0.405 nan 8.380 nan 0.000 0.431 459 V N -4.185 115.731 119.914 0.003 0.000 3.528 459 V HA 0.748 -4.696 4.120 -15.939 0.000 0.301 459 V C 1.538 177.831 176.094 0.332 0.000 1.332 459 V CA -0.159 62.215 62.300 0.124 0.000 1.004 459 V CB 0.544 32.376 31.823 0.016 0.000 1.222 459 V HN -0.036 nan 8.190 nan 0.000 0.478 460 G N -0.471 108.459 108.800 0.218 0.000 2.404 460 G HA2 0.540 -5.063 3.960 -15.939 0.000 0.213 460 G HA3 0.540 -5.063 3.960 -15.939 0.000 0.213 460 G C 0.405 175.349 174.900 0.074 0.000 1.189 460 G CA 1.208 46.408 45.100 0.167 0.000 0.796 460 G HN 1.689 nan 8.290 nan 0.000 0.532 461 A N -2.088 120.768 122.820 0.060 0.000 2.506 461 A HA 0.770 -4.473 4.320 -15.939 0.000 0.305 461 A C -1.739 175.845 177.584 -0.000 0.000 1.166 461 A CA -0.319 51.539 52.037 -0.298 0.000 0.638 461 A CB 1.213 19.767 19.000 -0.744 0.000 1.336 461 A HN 0.601 nan 8.150 nan 0.000 0.493 462 M N 0.691 120.172 119.600 -0.199 0.000 2.325 462 M HA 0.379 -4.704 4.480 -15.939 0.000 0.285 462 M C -0.563 175.686 176.300 -0.085 0.000 1.119 462 M CA -0.234 55.075 55.300 0.015 0.000 0.959 462 M CB 1.994 34.714 32.600 0.200 0.000 1.737 462 M HN 0.760 nan 8.290 nan 0.000 0.486 463 E N 2.001 122.207 120.200 0.009 0.000 2.320 463 E HA 0.105 -5.109 4.350 -15.939 0.000 0.189 463 E C -0.994 175.585 176.600 -0.035 0.000 1.100 463 E CA -0.073 56.331 56.400 0.007 0.000 1.009 463 E CB -0.965 28.779 29.700 0.074 0.000 1.145 463 E HN 0.854 nan 8.360 nan 0.000 0.454 464 N N 1.796 120.456 118.700 -0.066 0.000 2.293 464 N HA -0.090 -4.913 4.740 -15.939 0.000 0.253 464 N C -0.527 174.914 175.510 -0.114 0.000 1.248 464 N CA 0.358 53.331 53.050 -0.128 0.000 0.845 464 N CB 0.264 38.649 38.487 -0.171 0.000 1.073 464 N HN 0.082 nan 8.380 nan 0.000 0.464 465 K N 1.892 122.204 120.400 -0.148 0.000 2.402 465 K HA 0.049 -5.194 4.320 -15.939 0.000 0.279 465 K C 1.212 177.781 176.600 -0.051 0.000 1.082 465 K CA 0.538 56.767 56.287 -0.097 0.000 1.080 465 K CB -0.087 32.328 32.500 -0.141 0.000 0.899 465 K HN 0.859 nan 8.250 nan 0.000 0.469 466 G N 2.450 111.283 108.800 0.056 0.000 2.184 466 G HA2 -0.263 -5.867 3.960 -15.939 0.000 0.264 466 G HA3 -0.263 -5.867 3.960 -15.939 0.000 0.264 466 G C -0.109 174.827 174.900 0.059 0.000 0.975 466 G CA 0.170 45.344 45.100 0.123 0.000 0.642 466 G HN 0.496 nan 8.290 nan 0.000 0.536 467 L N 1.345 122.562 121.223 -0.010 0.000 2.475 467 L HA 0.538 -4.685 4.340 -15.939 0.000 0.253 467 L C -0.500 176.345 176.870 -0.041 0.000 1.483 467 L CA -1.335 53.474 54.840 -0.051 0.000 0.869 467 L CB 0.338 42.290 42.059 -0.178 0.000 1.086 467 L HN 0.088 nan 8.230 nan 0.000 0.514 468 N N 2.923 121.647 118.700 0.041 0.000 2.497 468 N HA 0.413 -4.410 4.740 -15.939 0.000 0.268 468 N C -0.574 174.926 175.510 -0.018 0.000 1.171 468 N CA 0.321 53.363 53.050 -0.014 0.000 0.948 468 N CB 1.224 39.773 38.487 0.104 0.000 1.069 468 N HN 0.436 nan 8.380 nan 0.000 0.460 469 I N 2.300 122.725 120.570 -0.242 0.000 2.474 469 I HA 0.415 -4.979 4.170 -15.939 0.000 0.294 469 I C -0.680 175.061 176.117 -0.627 0.000 1.005 469 I CA -0.604 60.572 61.300 -0.208 0.000 1.113 469 I CB 1.009 38.953 38.000 -0.095 0.000 1.289 469 I HN 0.246 nan 8.210 nan 0.000 0.436 470 F N 3.654 123.314 119.950 -0.483 0.000 2.540 470 F HA 0.340 -4.696 4.527 -15.939 0.000 0.317 470 F C 0.491 175.899 175.800 -0.654 0.000 1.104 470 F CA -0.945 56.728 58.000 -0.544 0.000 0.913 470 F CB 1.370 40.228 39.000 -0.237 0.000 1.170 470 F HN 0.394 nan 8.300 nan 0.000 0.450 471 N N 1.949 120.347 118.700 -0.504 0.000 2.365 471 N HA -0.050 -4.873 4.740 -15.939 0.000 0.265 471 N C 0.962 176.487 175.510 0.024 0.000 1.288 471 N CA 0.584 53.591 53.050 -0.071 0.000 0.869 471 N CB 1.279 39.836 38.487 0.117 0.000 1.071 471 N HN 0.878 nan 8.380 nan 0.000 0.480 472 A N 4.532 127.369 122.820 0.030 0.000 1.958 472 A HA -0.292 -5.535 4.320 -15.939 0.000 0.221 472 A C 1.721 179.293 177.584 -0.021 0.000 1.178 472 A CA 2.081 54.116 52.037 -0.004 0.000 0.642 472 A CB -0.638 18.348 19.000 -0.022 0.000 0.816 472 A HN 0.907 nan 8.150 nan 0.000 0.453 473 N N -0.431 118.278 118.700 0.016 0.000 2.573 473 N HA -0.027 -4.850 4.740 -15.939 0.000 0.187 473 N C 0.706 176.239 175.510 0.039 0.000 1.107 473 N CA 1.587 54.652 53.050 0.025 0.000 0.918 473 N CB -0.527 37.997 38.487 0.061 0.000 0.966 473 N HN 0.231 nan 8.380 nan 0.000 0.448 474 S N -0.952 114.780 115.700 0.053 0.000 2.663 474 S HA 0.330 -4.764 4.470 -15.939 0.000 0.243 474 S C 0.595 175.189 174.600 -0.010 0.000 1.009 474 S CA -0.509 57.735 58.200 0.072 0.000 0.988 474 S CB 0.229 63.527 63.200 0.164 0.000 0.896 474 S HN 0.253 nan 8.310 nan 0.000 0.502 475 L N 0.058 121.217 121.223 -0.106 0.000 2.860 475 L HA 0.531 -4.692 4.340 -15.939 0.000 0.251 475 L C -0.746 176.009 176.870 -0.191 0.000 1.041 475 L CA 0.730 55.404 54.840 -0.277 0.000 0.985 475 L CB 0.355 42.165 42.059 -0.415 0.000 1.656 475 L HN 0.149 nan 8.230 nan 0.000 0.526 476 L N 0.798 121.943 121.223 -0.131 0.000 2.295 476 L HA 0.795 -4.428 4.340 -15.939 0.000 0.285 476 L C -0.464 176.325 176.870 -0.134 0.000 1.035 476 L CA -0.408 54.364 54.840 -0.112 0.000 0.806 476 L CB 1.435 43.429 42.059 -0.109 0.000 1.214 476 L HN 0.096 nan 8.230 nan 0.000 0.426 477 A N 2.117 124.857 122.820 -0.133 0.000 2.589 477 A HA 0.812 -4.431 4.320 -15.939 0.000 0.296 477 A C -0.870 176.661 177.584 -0.089 0.000 1.062 477 A CA -0.457 51.453 52.037 -0.212 0.000 0.686 477 A CB 2.060 20.690 19.000 -0.616 0.000 1.282 477 A HN 0.651 nan 8.150 nan 0.000 0.404 478 S N 0.560 116.252 115.700 -0.014 0.000 2.564 478 S HA 0.593 -4.500 4.470 -15.939 0.000 0.274 478 S C 0.213 174.853 174.600 0.066 0.000 1.124 478 S CA -0.624 57.601 58.200 0.043 0.000 0.869 478 S CB 1.761 64.968 63.200 0.013 0.000 1.105 478 S HN 0.572 nan 8.310 nan 0.000 0.472 479 K N 1.250 121.589 120.400 -0.102 0.000 2.103 479 K HA 0.003 -5.240 4.320 -15.939 0.000 0.207 479 K C 1.907 178.384 176.600 -0.205 0.000 1.048 479 K CA 1.544 57.640 56.287 -0.319 0.000 0.930 479 K CB -0.166 31.752 32.500 -0.970 0.000 0.716 479 K HN 0.673 nan 8.250 nan 0.000 0.444 480 K N -0.068 120.247 120.400 -0.141 0.000 2.116 480 K HA -0.007 -5.251 4.320 -15.939 0.000 0.203 480 K C 0.555 177.283 176.600 0.214 0.000 1.052 480 K CA 1.100 57.492 56.287 0.174 0.000 0.952 480 K CB 0.258 32.858 32.500 0.168 0.000 0.729 480 K HN 0.053 nan 8.250 nan 0.000 0.446 481 N N -0.034 118.746 118.700 0.134 0.000 2.200 481 N HA 0.114 -4.709 4.740 -15.939 0.000 0.224 481 N C -1.220 174.344 175.510 0.090 0.000 1.179 481 N CA 0.021 53.156 53.050 0.142 0.000 0.877 481 N CB 1.535 40.091 38.487 0.114 0.000 1.072 481 N HN -0.082 nan 8.380 nan 0.000 0.519 482 S N 0.321 116.071 115.700 0.083 0.000 2.549 482 S HA 0.546 -4.547 4.470 -15.939 0.000 0.280 482 S C 0.201 174.842 174.600 0.068 0.000 1.109 482 S CA -0.876 57.356 58.200 0.054 0.000 0.905 482 S CB 2.005 65.217 63.200 0.020 0.000 1.081 482 S HN 0.228 nan 8.310 nan 0.000 0.477 483 I N -0.548 120.041 120.570 0.033 0.000 3.004 483 I HA 0.352 -5.041 4.170 -15.939 0.000 0.287 483 I C 0.631 176.830 176.117 0.137 0.000 1.144 483 I CA -0.406 60.913 61.300 0.032 0.000 1.353 483 I CB 0.400 38.401 38.000 0.000 0.000 1.417 483 I HN 0.403 nan 8.210 nan 0.000 0.602 484 D N 2.086 122.546 120.400 0.100 0.000 2.158 484 D HA -0.231 -5.154 4.640 -15.939 0.000 0.197 484 D C 1.537 177.957 176.300 0.201 0.000 0.995 484 D CA 1.712 55.772 54.000 0.100 0.000 0.846 484 D CB -0.304 40.488 40.800 -0.014 0.000 0.941 484 D HN 0.729 nan 8.370 nan 0.000 0.456 485 F N 1.662 121.652 119.950 0.067 0.000 2.202 485 F HA -0.228 -5.264 4.527 -15.940 0.000 0.301 485 F C 2.301 178.162 175.800 0.103 0.000 1.082 485 F CA 1.128 59.178 58.000 0.084 0.000 1.313 485 F CB -0.103 38.923 39.000 0.042 0.000 1.024 485 F HN -0.175 nan 8.300 nan 0.000 0.495 486 S N -0.541 115.222 115.700 0.105 0.000 2.402 486 S HA -0.250 -5.344 4.470 -15.939 0.000 0.233 486 S C 1.679 176.177 174.600 -0.172 0.000 1.030 486 S CA 1.613 59.770 58.200 -0.070 0.000 1.003 486 S CB -0.672 62.456 63.200 -0.121 0.000 0.813 486 S HN 0.537 nan 8.310 nan 0.000 0.477 487 Y N 1.270 121.534 120.300 -0.059 0.000 2.184 487 Y HA -0.024 -5.038 4.550 -15.939 0.000 0.290 487 Y C 2.653 178.753 175.900 0.333 0.000 1.129 487 Y CA 0.862 58.959 58.100 -0.004 0.000 1.144 487 Y CB -0.648 37.525 38.460 -0.478 0.000 0.995 487 Y HN 0.267 nan 8.280 nan 0.000 0.513 488 A N -0.083 122.917 122.820 0.300 0.000 1.969 488 A HA -0.172 -5.415 4.320 -15.939 0.000 0.218 488 A C 2.127 179.689 177.584 -0.037 0.000 1.169 488 A CA 1.653 53.815 52.037 0.209 0.000 0.635 488 A CB -0.537 18.514 19.000 0.085 0.000 0.810 488 A HN 0.333 nan 8.150 nan 0.000 0.445 489 R N 0.413 120.743 120.500 -0.283 0.000 2.073 489 R HA -0.022 -5.245 4.340 -15.939 0.000 0.234 489 R C 1.719 177.997 176.300 -0.036 0.000 1.134 489 R CA 1.907 57.850 56.100 -0.262 0.000 0.952 489 R CB -0.792 29.267 30.300 -0.401 0.000 0.850 489 R HN 0.521 nan 8.270 nan 0.000 0.433 490 I N 0.263 120.839 120.570 0.010 0.000 2.179 490 I HA -0.256 -5.650 4.170 -15.939 0.000 0.242 490 I C 2.152 178.255 176.117 -0.024 0.000 1.088 490 I CA 1.073 62.369 61.300 -0.006 0.000 1.357 490 I CB -0.400 37.594 38.000 -0.010 0.000 1.051 490 I HN 0.208 nan 8.210 nan 0.000 0.409 491 L N 0.277 121.540 121.223 0.066 0.000 2.012 491 L HA -0.242 -5.465 4.340 -15.939 0.000 0.210 491 L C 2.482 179.441 176.870 0.147 0.000 1.073 491 L CA 2.164 57.027 54.840 0.038 0.000 0.748 491 L CB -0.868 41.294 42.059 0.171 0.000 0.891 491 L HN 0.150 nan 8.230 nan 0.000 0.431 492 T N -1.249 113.379 114.554 0.124 0.000 2.708 492 T HA -0.153 -5.366 4.350 -15.939 0.000 0.266 492 T C 1.859 176.687 174.700 0.213 0.000 1.037 492 T CA 1.795 63.998 62.100 0.172 0.000 1.146 492 T CB -0.218 68.709 68.868 0.099 0.000 0.865 492 T HN 0.215 nan 8.240 nan 0.000 0.435 493 V N 0.938 120.956 119.914 0.173 0.000 2.379 493 V HA -0.091 -5.535 4.120 -15.939 0.000 0.245 493 V C 2.620 178.908 176.094 0.323 0.000 1.044 493 V CA 1.091 63.531 62.300 0.234 0.000 1.036 493 V CB -0.564 31.398 31.823 0.232 0.000 0.664 493 V HN 0.291 nan 8.190 nan 0.000 0.453 494 V N 1.094 121.144 119.914 0.226 0.000 2.287 494 V HA -0.219 -5.662 4.120 -15.939 0.000 0.248 494 V C 2.665 178.743 176.094 -0.026 0.000 1.053 494 V CA 2.330 64.709 62.300 0.131 0.000 1.027 494 V CB -1.514 30.219 31.823 -0.149 0.000 0.646 494 V HN 0.604 nan 8.190 nan 0.000 0.447 495 G N -0.978 107.766 108.800 -0.093 0.000 2.514 495 G HA2 -0.390 -5.994 3.960 -15.939 0.000 0.217 495 G HA3 -0.390 -5.994 3.960 -15.939 0.000 0.217 495 G C 1.412 176.005 174.900 -0.512 0.000 1.198 495 G CA 1.542 46.334 45.100 -0.514 0.000 0.780 495 G HN 0.669 nan 8.290 nan 0.000 0.565 496 H N 0.688 119.737 119.070 -0.036 0.000 2.265 496 H HA -0.100 -5.108 4.556 -15.939 0.000 0.295 496 H C 2.583 177.922 175.328 0.018 0.000 1.084 496 H CA 2.198 58.297 56.048 0.085 0.000 1.261 496 H CB 0.136 29.993 29.762 0.159 0.000 1.360 496 H HN 0.267 nan 8.280 nan 0.000 0.487 497 E N -0.239 120.117 120.200 0.260 0.000 2.110 497 E HA -0.203 -5.416 4.350 -15.939 0.000 0.193 497 E C 2.083 178.741 176.600 0.098 0.000 0.988 497 E CA 1.012 57.554 56.400 0.237 0.000 0.804 497 E CB -0.741 29.029 29.700 0.118 0.000 0.745 497 E HN 0.641 nan 8.360 nan 0.000 0.458 498 Y N 0.763 120.966 120.300 -0.161 0.000 2.145 498 Y HA -0.226 -5.239 4.550 -15.938 0.000 0.286 498 Y C 1.931 177.752 175.900 -0.130 0.000 1.145 498 Y CA 1.378 59.326 58.100 -0.252 0.000 1.148 498 Y CB -0.385 37.762 38.460 -0.522 0.000 0.981 498 Y HN -0.111 nan 8.280 nan 0.000 0.507 499 F N -0.610 119.265 119.950 -0.125 0.000 2.269 499 F HA -0.186 -5.218 4.527 -15.932 0.000 0.301 499 F C 2.459 178.166 175.800 -0.156 0.000 1.082 499 F CA 1.273 59.162 58.000 -0.185 0.000 1.360 499 F CB -1.171 37.726 39.000 -0.171 0.000 1.041 499 F HN 0.229 nan 8.300 nan 0.000 0.512 500 H N -0.270 118.809 119.070 0.015 0.000 2.489 500 H HA -0.139 -5.146 4.556 -15.939 0.000 0.293 500 H C 2.122 177.449 175.328 -0.001 0.000 1.066 500 H CA 1.207 57.265 56.048 0.016 0.000 1.305 500 H CB -0.179 29.600 29.762 0.029 0.000 1.386 500 H HN 0.225 nan 8.280 nan 0.000 0.551 501 Q N -0.248 119.575 119.800 0.038 0.000 2.152 501 Q HA -0.164 -5.388 4.340 -15.939 0.000 0.206 501 Q C 1.535 177.470 176.000 -0.110 0.000 0.985 501 Q CA 1.551 57.317 55.803 -0.062 0.000 0.863 501 Q CB -0.199 28.451 28.738 -0.147 0.000 0.904 501 Q HN 0.515 nan 8.270 nan 0.000 0.422 502 Y N -0.933 119.359 120.300 -0.013 0.000 2.239 502 Y HA 0.048 -4.966 4.550 -15.940 0.000 0.293 502 Y C 1.143 177.079 175.900 0.061 0.000 1.126 502 Y CA 1.252 59.364 58.100 0.021 0.000 1.128 502 Y CB -0.009 38.483 38.460 0.053 0.000 1.066 502 Y HN 0.050 nan 8.280 nan 0.000 0.516 503 T N -0.994 113.728 114.554 0.281 0.000 3.688 503 T HA 0.545 -4.668 4.350 -15.939 0.000 0.307 503 T C 0.824 175.717 174.700 0.321 0.000 1.382 503 T CA 0.266 62.519 62.100 0.255 0.000 1.136 503 T CB -0.133 68.859 68.868 0.208 0.000 1.207 503 T HN 0.558 nan 8.240 nan 0.000 0.854 504 G N 3.044 111.994 108.800 0.249 0.000 3.675 504 G HA2 -0.177 -5.780 3.960 -15.939 0.000 0.206 504 G HA3 -0.177 -5.780 3.960 -15.939 0.000 0.206 504 G C 0.845 175.812 174.900 0.111 0.000 1.086 504 G CA -0.163 45.076 45.100 0.233 0.000 0.894 504 G HN 0.487 nan 8.290 nan 0.000 0.412 505 N N 0.487 119.215 118.700 0.047 0.000 2.513 505 N HA 0.187 -4.636 4.740 -15.939 0.000 0.196 505 N C 2.062 177.512 175.510 -0.101 0.000 1.041 505 N CA 0.870 53.885 53.050 -0.058 0.000 0.916 505 N CB -0.258 38.179 38.487 -0.083 0.000 1.172 505 N HN 0.294 nan 8.380 nan 0.000 0.444 506 R N 0.251 120.669 120.500 -0.137 0.000 2.090 506 R HA 0.156 -5.067 4.340 -15.939 0.000 0.228 506 R C -0.074 176.158 176.300 -0.113 0.000 1.110 506 R CA 0.582 56.572 56.100 -0.183 0.000 0.973 506 R CB 0.188 30.269 30.300 -0.365 0.000 0.869 506 R HN -0.017 nan 8.270 nan 0.000 0.440 507 V N 1.953 121.831 119.914 -0.059 0.000 2.328 507 V HA 0.177 -5.266 4.120 -15.939 0.000 0.278 507 V C 0.059 176.158 176.094 0.008 0.000 1.021 507 V CA -0.374 61.889 62.300 -0.062 0.000 0.838 507 V CB 1.490 33.232 31.823 -0.135 0.000 0.999 507 V HN 0.136 nan 8.190 nan 0.000 0.447 508 T N 5.626 120.174 114.554 -0.010 0.000 2.881 508 T HA 0.600 -4.613 4.350 -15.939 0.000 0.278 508 T C 0.015 174.721 174.700 0.010 0.000 0.982 508 T CA -0.460 61.650 62.100 0.016 0.000 0.989 508 T CB 1.015 69.876 68.868 -0.011 0.000 1.058 508 T HN 0.348 nan 8.240 nan 0.000 0.529 509 L N 1.813 123.026 121.223 -0.017 0.000 2.326 509 L HA 0.442 -4.781 4.340 -15.939 0.000 0.278 509 L C 1.984 178.762 176.870 -0.154 0.000 1.092 509 L CA -0.587 54.197 54.840 -0.093 0.000 0.810 509 L CB 0.732 42.677 42.059 -0.190 0.000 1.153 509 L HN 0.671 nan 8.230 nan 0.000 0.439 510 R N 1.287 121.693 120.500 -0.156 0.000 2.075 510 R HA -0.094 -5.317 4.340 -15.939 0.000 0.232 510 R C -0.398 175.754 176.300 -0.245 0.000 1.126 510 R CA 1.685 57.654 56.100 -0.217 0.000 0.963 510 R CB 0.234 30.336 30.300 -0.330 0.000 0.858 510 R HN 0.964 nan 8.270 nan 0.000 0.435 511 D N -4.757 115.495 120.400 -0.246 0.000 2.639 511 D HA 0.050 -4.873 4.640 -15.939 0.000 0.271 511 D C -0.340 175.829 176.300 -0.218 0.000 1.254 511 D CA -0.792 53.092 54.000 -0.194 0.000 0.810 511 D CB -0.483 40.372 40.800 0.091 0.000 1.351 511 D HN -0.035 nan 8.370 nan 0.000 0.427 512 W N -0.857 120.383 121.300 -0.101 0.000 2.595 512 W HA 0.090 -4.816 4.660 -15.942 0.000 0.257 512 W C 1.224 177.572 176.519 -0.285 0.000 1.267 512 W CA -0.335 56.809 57.345 -0.335 0.000 1.300 512 W CB -0.246 28.812 29.460 -0.669 0.000 1.120 512 W HN 0.301 nan 8.180 nan 0.000 0.618 513 F N 0.369 120.483 119.950 0.274 0.000 2.333 513 F HA -0.215 -5.254 4.527 -15.944 0.000 0.300 513 F C 2.218 178.215 175.800 0.328 0.000 1.083 513 F CA 0.999 59.236 58.000 0.394 0.000 1.395 513 F CB -0.740 38.459 39.000 0.331 0.000 1.056 513 F HN -0.091 nan 8.300 nan 0.000 0.529 514 Q N 0.155 120.154 119.800 0.332 0.000 2.415 514 Q HA 0.014 -5.210 4.340 -15.939 0.000 0.206 514 Q C 2.150 178.271 176.000 0.201 0.000 0.946 514 Q CA 0.114 56.043 55.803 0.210 0.000 0.951 514 Q CB -0.593 28.196 28.738 0.085 0.000 1.026 514 Q HN 0.400 nan 8.270 nan 0.000 0.510 515 L N 1.022 122.407 121.223 0.269 0.000 2.064 515 L HA -0.234 -5.457 4.340 -15.939 0.000 0.216 515 L C 2.209 179.150 176.870 0.119 0.000 1.077 515 L CA 2.163 57.125 54.840 0.205 0.000 0.766 515 L CB -1.069 41.102 42.059 0.187 0.000 0.890 515 L HN 0.189 nan 8.230 nan 0.000 0.435 516 T N -1.558 113.083 114.554 0.146 0.000 2.929 516 T HA -0.161 -5.374 4.350 -15.939 0.000 0.271 516 T C 1.841 176.602 174.700 0.101 0.000 1.085 516 T CA 1.210 63.374 62.100 0.107 0.000 1.125 516 T CB -0.270 68.700 68.868 0.170 0.000 0.874 516 T HN 0.332 nan 8.240 nan 0.000 0.494 517 L N 1.659 122.954 121.223 0.120 0.000 2.083 517 L HA -0.025 -5.249 4.340 -15.939 0.000 0.209 517 L C 2.354 179.238 176.870 0.024 0.000 1.083 517 L CA 2.117 56.982 54.840 0.041 0.000 0.752 517 L CB -0.507 41.586 42.059 0.055 0.000 0.899 517 L HN 0.335 nan 8.230 nan 0.000 0.433 518 K N -2.025 118.433 120.400 0.096 0.000 2.098 518 K HA -0.030 -5.273 4.320 -15.939 0.000 0.203 518 K C 1.666 178.346 176.600 0.134 0.000 1.051 518 K CA 0.894 57.281 56.287 0.167 0.000 0.957 518 K CB -0.341 32.315 32.500 0.260 0.000 0.738 518 K HN 0.212 nan 8.250 nan 0.000 0.447 519 E N 1.284 121.500 120.200 0.028 0.000 2.051 519 E HA -0.027 -5.241 4.350 -15.939 0.000 0.189 519 E C 2.321 178.815 176.600 -0.178 0.000 0.979 519 E CA 1.357 57.647 56.400 -0.183 0.000 0.803 519 E CB -0.528 28.765 29.700 -0.679 0.000 0.761 519 E HN 0.537 nan 8.360 nan 0.000 0.451 520 G N 1.687 110.427 108.800 -0.100 0.000 2.418 520 G HA2 -0.233 -5.836 3.960 -15.939 0.000 0.217 520 G HA3 -0.233 -5.836 3.960 -15.939 0.000 0.217 520 G C 1.603 176.500 174.900 -0.004 0.000 1.158 520 G CA 0.728 45.811 45.100 -0.028 0.000 0.771 520 G HN 0.193 nan 8.290 nan 0.000 0.545 521 L N 0.991 122.187 121.223 -0.045 0.000 2.056 521 L HA 0.031 -5.192 4.340 -15.939 0.000 0.207 521 L C 2.865 179.741 176.870 0.010 0.000 1.078 521 L CA 2.373 57.199 54.840 -0.023 0.000 0.749 521 L CB -0.889 41.082 42.059 -0.147 0.000 0.901 521 L HN 0.184 nan 8.230 nan 0.000 0.433 522 T N -1.572 112.921 114.554 -0.102 0.000 2.904 522 T HA -0.083 -5.297 4.350 -15.939 0.000 0.267 522 T C 1.989 176.606 174.700 -0.137 0.000 1.059 522 T CA 1.268 63.203 62.100 -0.275 0.000 1.137 522 T CB -0.200 68.179 68.868 -0.815 0.000 0.879 522 T HN 0.159 nan 8.240 nan 0.000 0.467 523 V N 1.339 121.281 119.914 0.047 0.000 2.343 523 V HA -0.199 -5.642 4.120 -15.939 0.000 0.247 523 V C 2.336 178.487 176.094 0.096 0.000 1.051 523 V CA 2.006 64.434 62.300 0.212 0.000 1.036 523 V CB -0.699 31.298 31.823 0.289 0.000 0.654 523 V HN 0.557 nan 8.190 nan 0.000 0.451 524 H N 0.901 119.951 119.070 -0.033 0.000 2.319 524 H HA -0.172 -5.157 4.556 -15.902 0.000 0.299 524 H C 2.436 177.715 175.328 -0.082 0.000 1.092 524 H CA 2.245 58.248 56.048 -0.076 0.000 1.302 524 H CB -0.142 29.597 29.762 -0.037 0.000 1.373 524 H HN 0.281 nan 8.280 nan 0.000 0.497 525 R N 0.088 120.415 120.500 -0.289 0.000 2.081 525 R HA -0.114 -5.337 4.340 -15.939 0.000 0.235 525 R C 2.544 178.610 176.300 -0.390 0.000 1.131 525 R CA 1.426 57.253 56.100 -0.455 0.000 0.960 525 R CB -0.230 29.739 30.300 -0.552 0.000 0.856 525 R HN 0.575 nan 8.270 nan 0.000 0.436 526 E N 1.023 121.201 120.200 -0.037 0.000 2.058 526 E HA -0.244 -5.457 4.350 -15.939 0.000 0.194 526 E C 1.260 177.927 176.600 0.110 0.000 0.997 526 E CA 1.679 58.251 56.400 0.286 0.000 0.801 526 E CB -0.092 29.834 29.700 0.376 0.000 0.746 526 E HN 0.464 nan 8.360 nan 0.000 0.450 527 N N 0.154 118.825 118.700 -0.048 0.000 2.188 527 N HA -0.103 -4.927 4.740 -15.939 0.000 0.184 527 N C 2.142 177.522 175.510 -0.216 0.000 1.018 527 N CA 0.744 53.711 53.050 -0.140 0.000 0.858 527 N CB -0.028 38.317 38.487 -0.237 0.000 0.989 527 N HN 0.142 nan 8.380 nan 0.000 0.426 528 L N 0.086 121.130 121.223 -0.298 0.000 2.046 528 L HA -0.172 -5.396 4.340 -15.939 0.000 0.208 528 L C 2.225 178.800 176.870 -0.493 0.000 1.077 528 L CA 1.026 55.657 54.840 -0.348 0.000 0.747 528 L CB -0.410 41.393 42.059 -0.426 0.000 0.896 528 L HN 0.201 nan 8.230 nan 0.000 0.432 529 F N 0.554 119.987 119.950 -0.861 0.000 2.046 529 F HA -0.264 -5.302 4.527 -15.942 0.000 0.297 529 F C 2.646 178.084 175.800 -0.603 0.000 1.123 529 F CA 1.953 59.233 58.000 -1.199 0.000 1.199 529 F CB -0.559 38.104 39.000 -0.561 0.000 0.972 529 F HN -0.073 nan 8.300 nan 0.000 0.474 530 S N 0.230 115.606 115.700 -0.541 0.000 2.359 530 S HA -0.225 -5.318 4.470 -15.939 0.000 0.224 530 S C 1.849 176.162 174.600 -0.479 0.000 1.035 530 S CA 1.567 59.431 58.200 -0.561 0.000 1.018 530 S CB -0.493 62.535 63.200 -0.286 0.000 0.876 530 S HN 0.520 nan 8.310 nan 0.000 0.448 531 E N 0.492 120.485 120.200 -0.344 0.000 2.097 531 E HA -0.239 -5.453 4.350 -15.939 0.000 0.196 531 E C 2.179 178.627 176.600 -0.254 0.000 1.000 531 E CA 1.370 57.617 56.400 -0.256 0.000 0.804 531 E CB -0.132 29.459 29.700 -0.181 0.000 0.740 531 E HN 0.387 nan 8.360 nan 0.000 0.454 532 E N 0.255 120.281 120.200 -0.291 0.000 2.106 532 E HA -0.139 -5.352 4.350 -15.939 0.000 0.192 532 E C 1.855 178.316 176.600 -0.232 0.000 0.984 532 E CA 1.089 57.376 56.400 -0.188 0.000 0.806 532 E CB 0.104 29.758 29.700 -0.077 0.000 0.750 532 E HN 0.094 nan 8.360 nan 0.000 0.458 533 M N 0.057 119.396 119.600 -0.434 0.000 2.288 533 M HA -0.012 -5.095 4.480 -15.939 0.000 0.266 533 M C 2.247 178.354 176.300 -0.322 0.000 1.072 533 M CA 1.828 56.895 55.300 -0.387 0.000 1.132 533 M CB -1.138 31.073 32.600 -0.649 0.000 1.386 533 M HN 0.308 nan 8.290 nan 0.000 0.432 534 T N -3.135 111.120 114.554 -0.499 0.000 3.035 534 T HA 0.020 -5.193 4.350 -15.939 0.000 0.259 534 T C 0.982 175.544 174.700 -0.229 0.000 1.078 534 T CA 0.237 61.965 62.100 -0.620 0.000 1.132 534 T CB 0.047 68.386 68.868 -0.881 0.000 0.900 534 T HN 0.158 nan 8.240 nan 0.000 0.480 535 K N 2.358 122.652 120.400 -0.177 0.000 3.016 535 K HA -0.127 -5.370 4.320 -15.939 0.000 0.262 535 K C -0.008 176.556 176.600 -0.059 0.000 1.043 535 K CA 1.351 57.586 56.287 -0.088 0.000 0.761 535 K CB -2.755 29.720 32.500 -0.042 0.000 1.230 535 K HN 0.884 nan 8.250 nan 0.000 0.485 536 T N -3.549 110.956 114.554 -0.081 0.000 2.863 536 T HA 0.509 -4.704 4.350 -15.939 0.000 0.285 536 T C 1.480 176.162 174.700 -0.030 0.000 1.009 536 T CA -0.437 61.644 62.100 -0.031 0.000 0.989 536 T CB 2.334 71.201 68.868 -0.001 0.000 1.004 536 T HN -0.018 nan 8.240 nan 0.000 0.455 537 V N -0.092 119.821 119.914 -0.002 0.000 2.913 537 V HA -0.090 -5.533 4.120 -15.939 0.000 0.260 537 V C 2.356 178.462 176.094 0.020 0.000 1.098 537 V CA 1.852 64.151 62.300 -0.002 0.000 1.121 537 V CB -1.970 29.845 31.823 -0.014 0.000 0.714 537 V HN 1.088 nan 8.190 nan 0.000 0.487 538 T N -2.892 111.707 114.554 0.076 0.000 3.035 538 T HA -0.126 -5.340 4.350 -15.939 0.000 0.268 538 T C 1.700 176.443 174.700 0.071 0.000 1.109 538 T CA 1.589 63.775 62.100 0.143 0.000 1.119 538 T CB -0.833 68.195 68.868 0.266 0.000 0.900 538 T HN 0.534 nan 8.240 nan 0.000 0.503 539 T N 1.817 116.370 114.554 -0.001 0.000 2.674 539 T HA -0.062 -5.275 4.350 -15.939 0.000 0.265 539 T C 2.051 176.734 174.700 -0.028 0.000 1.039 539 T CA 1.540 63.617 62.100 -0.039 0.000 1.150 539 T CB -0.295 68.496 68.868 -0.129 0.000 0.864 539 T HN 0.346 nan 8.240 nan 0.000 0.427 540 R N 1.261 121.730 120.500 -0.052 0.000 2.081 540 R HA 0.085 -5.138 4.340 -15.939 0.000 0.235 540 R C 2.273 178.518 176.300 -0.091 0.000 1.131 540 R CA 1.335 57.404 56.100 -0.051 0.000 0.960 540 R CB -1.056 29.216 30.300 -0.046 0.000 0.856 540 R HN 0.402 nan 8.270 nan 0.000 0.436 541 L N 0.520 121.633 121.223 -0.184 0.000 2.042 541 L HA -0.183 -5.406 4.340 -15.939 0.000 0.210 541 L C 2.482 179.119 176.870 -0.389 0.000 1.076 541 L CA 1.769 56.320 54.840 -0.482 0.000 0.749 541 L CB -0.775 40.807 42.059 -0.796 0.000 0.893 541 L HN 0.409 nan 8.230 nan 0.000 0.432 542 S N -1.403 114.236 115.700 -0.102 0.000 2.382 542 S HA -0.288 -5.381 4.470 -15.939 0.000 0.228 542 S C 1.881 176.494 174.600 0.022 0.000 1.027 542 S CA 1.415 59.648 58.200 0.054 0.000 0.991 542 S CB -0.616 62.685 63.200 0.169 0.000 0.823 542 S HN 0.552 nan 8.310 nan 0.000 0.469 543 H N 0.758 119.793 119.070 -0.058 0.000 2.395 543 H HA 0.152 -4.856 4.556 -15.939 0.000 0.299 543 H C 1.827 177.090 175.328 -0.108 0.000 1.070 543 H CA 1.532 57.553 56.048 -0.044 0.000 1.356 543 H CB -0.186 29.565 29.762 -0.018 0.000 1.401 543 H HN 0.255 nan 8.280 nan 0.000 0.524 544 V N 0.251 120.103 119.914 -0.103 0.000 2.427 544 V HA -0.216 -5.659 4.120 -15.939 0.000 0.248 544 V C 1.971 177.854 176.094 -0.350 0.000 1.051 544 V CA 2.151 64.256 62.300 -0.324 0.000 1.048 544 V CB -0.445 31.105 31.823 -0.455 0.000 0.666 544 V HN 0.493 nan 8.190 nan 0.000 0.456 545 D N -0.249 120.013 120.400 -0.231 0.000 2.117 545 D HA -0.184 -5.107 4.640 -15.939 0.000 0.197 545 D C 2.119 178.334 176.300 -0.142 0.000 0.987 545 D CA 1.209 55.130 54.000 -0.130 0.000 0.829 545 D CB -0.046 40.752 40.800 -0.004 0.000 0.961 545 D HN 0.372 nan 8.370 nan 0.000 0.460 546 L N -0.185 120.943 121.223 -0.160 0.000 1.994 546 L HA -0.129 -5.353 4.340 -15.939 0.000 0.208 546 L C 2.226 178.963 176.870 -0.222 0.000 1.071 546 L CA 1.035 55.775 54.840 -0.166 0.000 0.745 546 L CB -0.305 41.634 42.059 -0.200 0.000 0.892 546 L HN 0.171 nan 8.230 nan 0.000 0.431 547 L N 0.147 121.173 121.223 -0.328 0.000 2.012 547 L HA -0.240 -5.464 4.340 -15.939 0.000 0.210 547 L C 2.759 179.300 176.870 -0.548 0.000 1.073 547 L CA 1.809 56.452 54.840 -0.329 0.000 0.748 547 L CB -0.424 41.479 42.059 -0.261 0.000 0.891 547 L HN 0.181 nan 8.230 nan 0.000 0.431 548 R N -0.966 119.105 120.500 -0.716 0.000 2.189 548 R HA -0.039 -5.262 4.340 -15.939 0.000 0.218 548 R C 2.212 178.419 176.300 -0.155 0.000 1.074 548 R CA 1.127 56.653 56.100 -0.957 0.000 0.991 548 R CB -0.290 29.634 30.300 -0.627 0.000 0.883 548 R HN 0.633 nan 8.270 nan 0.000 0.457 549 S N 0.017 115.688 115.700 -0.048 0.000 2.370 549 S HA -0.007 -5.100 4.470 -15.939 0.000 0.214 549 S C 2.117 176.765 174.600 0.080 0.000 1.033 549 S CA 0.412 58.679 58.200 0.112 0.000 0.941 549 S CB -0.590 62.667 63.200 0.095 0.000 0.886 549 S HN -0.014 nan 8.310 nan 0.000 0.521 550 V N 2.318 122.247 119.914 0.025 0.000 2.283 550 V HA -0.092 -5.535 4.120 -15.939 0.000 0.243 550 V C 3.029 179.165 176.094 0.071 0.000 1.039 550 V CA 1.933 64.260 62.300 0.044 0.000 1.016 550 V CB -0.868 30.965 31.823 0.017 0.000 0.650 550 V HN 0.474 nan 8.190 nan 0.000 0.449 551 Q N -0.746 119.084 119.800 0.051 0.000 2.123 551 Q HA -0.125 -5.349 4.340 -15.939 0.000 0.199 551 Q C 2.193 178.337 176.000 0.240 0.000 0.966 551 Q CA 1.526 57.396 55.803 0.112 0.000 0.845 551 Q CB -0.147 28.644 28.738 0.088 0.000 0.907 551 Q HN 0.539 nan 8.270 nan 0.000 0.439 552 F N 1.017 120.949 119.950 -0.030 0.000 2.171 552 F HA -0.163 -5.203 4.527 -15.945 0.000 0.300 552 F C 2.357 178.148 175.800 -0.014 0.000 1.090 552 F CA 0.486 58.448 58.000 -0.064 0.000 1.293 552 F CB -1.101 37.828 39.000 -0.119 0.000 1.013 552 F HN 0.096 nan 8.300 nan 0.000 0.486 553 L N 0.050 121.395 121.223 0.204 0.000 2.012 553 L HA -0.268 -5.491 4.340 -15.939 0.000 0.210 553 L C 2.486 179.408 176.870 0.087 0.000 1.073 553 L CA 1.934 56.843 54.840 0.114 0.000 0.748 553 L CB -0.451 41.671 42.059 0.105 0.000 0.891 553 L HN 0.182 nan 8.230 nan 0.000 0.431 554 E N -0.466 119.794 120.200 0.100 0.000 2.085 554 E HA -0.311 -5.524 4.350 -15.939 0.000 0.194 554 E C 1.679 178.305 176.600 0.043 0.000 0.994 554 E CA 1.708 58.160 56.400 0.087 0.000 0.801 554 E CB -0.045 29.716 29.700 0.102 0.000 0.743 554 E HN 0.473 nan 8.360 nan 0.000 0.453 555 D N -0.595 119.818 120.400 0.021 0.000 2.312 555 D HA -0.055 -4.978 4.640 -15.939 0.000 0.211 555 D C 1.443 177.723 176.300 -0.033 0.000 0.964 555 D CA 1.045 55.023 54.000 -0.036 0.000 0.877 555 D CB 0.100 40.855 40.800 -0.076 0.000 0.924 555 D HN 0.204 nan 8.370 nan 0.000 0.515 556 S N -1.251 114.441 115.700 -0.013 0.000 2.554 556 S HA 0.134 -4.959 4.470 -15.939 0.000 0.226 556 S C 0.808 175.383 174.600 -0.042 0.000 0.980 556 S CA -0.464 57.718 58.200 -0.030 0.000 0.939 556 S CB 0.146 63.326 63.200 -0.033 0.000 0.832 556 S HN 0.092 nan 8.310 nan 0.000 0.486 557 S N 1.391 117.081 115.700 -0.017 0.000 2.730 557 S HA 0.551 -4.542 4.470 -15.939 0.000 0.284 557 S C -2.218 172.382 174.600 -0.000 0.000 1.153 557 S CA -1.229 56.959 58.200 -0.021 0.000 0.995 557 S CB 0.716 63.932 63.200 0.026 0.000 1.058 557 S HN -0.013 nan 8.310 nan 0.000 0.552 558 P HA 0.070 nan 4.420 nan 0.000 0.225 558 P C 0.796 178.128 177.300 0.053 0.000 1.148 558 P CA 0.835 63.965 63.100 0.050 0.000 0.779 558 P CB -0.096 31.678 31.700 0.123 0.000 0.780 559 L N -1.811 119.442 121.223 0.050 0.000 2.591 559 L HA 0.080 -5.143 4.340 -15.939 0.000 0.228 559 L C 1.093 178.079 176.870 0.193 0.000 1.133 559 L CA -0.110 54.770 54.840 0.066 0.000 0.880 559 L CB -0.473 41.595 42.059 0.015 0.000 1.033 559 L HN -0.089 nan 8.230 nan 0.000 0.450 560 S N 1.145 116.918 115.700 0.122 0.000 2.626 560 S HA -0.029 -5.122 4.470 -15.939 0.000 0.303 560 S C -0.249 174.447 174.600 0.160 0.000 1.256 560 S CA -0.118 58.133 58.200 0.085 0.000 1.069 560 S CB -0.259 62.950 63.200 0.016 0.000 0.807 560 S HN 0.465 nan 8.310 nan 0.000 0.500 561 H N 2.818 121.898 119.070 0.016 0.000 3.016 561 H HA 0.621 -4.386 4.556 -15.938 0.000 0.362 561 H C -3.328 172.013 175.328 0.022 0.000 1.233 561 H CA -2.409 53.653 56.048 0.023 0.000 1.124 561 H CB 0.657 30.424 29.762 0.009 0.000 1.850 561 H HN 0.375 nan 8.280 nan 0.000 0.549 562 P HA 0.122 nan 4.420 nan 0.000 0.274 562 P C 1.475 178.821 177.300 0.076 0.000 1.256 562 P CA -0.574 62.555 63.100 0.049 0.000 0.795 562 P CB 1.500 33.266 31.700 0.109 0.000 1.038 563 I N -2.175 118.433 120.570 0.062 0.000 2.614 563 I HA -0.001 -5.394 4.170 -15.939 0.000 0.258 563 I C 1.218 177.455 176.117 0.200 0.000 1.189 563 I CA 1.018 62.371 61.300 0.089 0.000 1.462 563 I CB -0.314 37.703 38.000 0.027 0.000 1.092 563 I HN 0.149 nan 8.210 nan 0.000 0.442 564 R N 2.494 123.161 120.500 0.277 0.000 2.335 564 R HA 0.467 -4.756 4.340 -15.939 0.000 0.302 564 R C -2.655 173.849 176.300 0.339 0.000 1.147 564 R CA -2.049 54.260 56.100 0.347 0.000 1.111 564 R CB 0.798 31.328 30.300 0.385 0.000 1.122 564 R HN 0.062 nan 8.270 nan 0.000 0.557 565 P HA 0.022 nan 4.420 nan 0.000 0.270 565 P C -0.103 177.491 177.300 0.491 0.000 1.223 565 P CA -0.122 63.221 63.100 0.404 0.000 0.785 565 P CB 0.858 32.770 31.700 0.352 0.000 0.923 566 E N -0.303 120.102 120.200 0.342 0.000 2.385 566 E HA 0.050 -5.163 4.350 -15.939 0.000 0.194 566 E C 0.396 177.141 176.600 0.240 0.000 1.013 566 E CA 0.711 57.231 56.400 0.201 0.000 0.866 566 E CB 0.002 29.809 29.700 0.178 0.000 0.832 566 E HN 0.554 nan 8.360 nan 0.000 0.500 567 S N -0.496 115.489 115.700 0.474 0.000 2.588 567 S HA 0.634 -4.459 4.470 -15.939 0.000 0.269 567 S C -1.034 173.881 174.600 0.524 0.000 1.157 567 S CA -1.108 57.317 58.200 0.374 0.000 0.824 567 S CB 1.308 64.471 63.200 -0.062 0.000 1.126 567 S HN 0.164 nan 8.310 nan 0.000 0.464 568 Y N -1.859 118.610 120.300 0.283 0.000 2.609 568 Y HA 0.810 -4.204 4.550 -15.941 0.000 0.336 568 Y C -0.396 175.572 175.900 0.113 0.000 1.129 568 Y CA -1.329 56.880 58.100 0.181 0.000 1.040 568 Y CB 0.701 39.201 38.460 0.066 0.000 1.310 568 Y HN 0.342 nan 8.280 nan 0.000 0.460 569 V N 0.548 120.651 119.914 0.315 0.000 2.690 569 V HA 0.123 -5.320 4.120 -15.939 0.000 0.240 569 V C 0.424 176.729 176.094 0.351 0.000 1.078 569 V CA 1.199 63.653 62.300 0.257 0.000 1.102 569 V CB 0.839 32.748 31.823 0.144 0.000 0.800 569 V HN 0.762 nan 8.190 nan 0.000 0.479 570 S N -0.248 115.615 115.700 0.273 0.000 2.530 570 S HA 0.350 -4.743 4.470 -15.939 0.000 0.322 570 S C 0.726 175.313 174.600 -0.022 0.000 1.085 570 S CA -0.529 57.747 58.200 0.126 0.000 1.096 570 S CB 1.165 64.416 63.200 0.086 0.000 0.988 570 S HN 0.140 nan 8.310 nan 0.000 0.466 571 M N 4.066 123.496 119.600 -0.282 0.000 2.159 571 M HA -0.024 -5.107 4.480 -15.939 0.000 0.263 571 M C 2.456 178.643 176.300 -0.187 0.000 1.063 571 M CA 2.131 57.067 55.300 -0.607 0.000 1.110 571 M CB -1.635 30.447 32.600 -0.863 0.000 1.374 571 M HN 0.939 nan 8.290 nan 0.000 0.411 572 E N 0.319 120.438 120.200 -0.135 0.000 2.209 572 E HA -0.187 -5.401 4.350 -15.939 0.000 0.196 572 E C 1.496 178.124 176.600 0.046 0.000 0.993 572 E CA 1.603 57.952 56.400 -0.086 0.000 0.819 572 E CB -1.099 28.515 29.700 -0.143 0.000 0.745 572 E HN 0.602 nan 8.360 nan 0.000 0.477 573 N N -1.316 117.437 118.700 0.089 0.000 2.461 573 N HA 0.101 -4.722 4.740 -15.939 0.000 0.188 573 N C 0.816 176.444 175.510 0.195 0.000 1.134 573 N CA 0.118 53.256 53.050 0.146 0.000 0.878 573 N CB -0.114 38.493 38.487 0.199 0.000 0.972 573 N HN 0.449 nan 8.380 nan 0.000 0.456 574 F N -0.002 119.953 119.950 0.007 0.000 2.664 574 F HA 0.124 -4.913 4.527 -15.940 0.000 0.296 574 F C 0.116 175.894 175.800 -0.037 0.000 1.125 574 F CA 0.042 57.989 58.000 -0.088 0.000 1.444 574 F CB 0.069 38.896 39.000 -0.289 0.000 1.114 574 F HN -0.059 nan 8.300 nan 0.000 0.576 575 Y N 1.202 121.580 120.300 0.130 0.000 2.636 575 Y HA 0.214 -4.797 4.550 -15.934 0.000 0.334 575 Y C 0.828 176.748 175.900 0.033 0.000 1.286 575 Y CA -0.590 57.602 58.100 0.153 0.000 1.688 575 Y CB -0.605 37.897 38.460 0.070 0.000 1.662 575 Y HN -0.120 nan 8.280 nan 0.000 0.465 576 T N -3.895 110.779 114.554 0.200 0.000 2.950 576 T HA 0.113 -5.100 4.350 -15.939 0.000 0.288 576 T C 1.208 176.014 174.700 0.176 0.000 1.035 576 T CA -0.542 61.663 62.100 0.174 0.000 1.028 576 T CB 1.761 70.797 68.868 0.280 0.000 1.109 576 T HN 0.338 nan 8.240 nan 0.000 0.514 577 T N 0.394 115.022 114.554 0.124 0.000 2.803 577 T HA -0.133 -5.347 4.350 -15.939 0.000 0.269 577 T C 1.836 176.620 174.700 0.140 0.000 1.052 577 T CA 2.429 64.600 62.100 0.119 0.000 1.136 577 T CB -1.154 67.756 68.868 0.070 0.000 0.864 577 T HN 0.763 nan 8.240 nan 0.000 0.467 578 T N 1.280 115.894 114.554 0.100 0.000 2.643 578 T HA -0.075 -5.289 4.350 -15.939 0.000 0.264 578 T C 1.992 176.738 174.700 0.077 0.000 1.045 578 T CA 1.576 63.676 62.100 0.000 0.000 1.155 578 T CB -0.665 68.007 68.868 -0.326 0.000 0.863 578 T HN 0.244 nan 8.240 nan 0.000 0.420 579 V N 0.022 120.034 119.914 0.164 0.000 2.332 579 V HA -0.196 -5.639 4.120 -15.939 0.000 0.248 579 V C 2.038 178.244 176.094 0.186 0.000 1.055 579 V CA 1.669 64.067 62.300 0.162 0.000 1.038 579 V CB -0.705 31.201 31.823 0.139 0.000 0.651 579 V HN 0.544 nan 8.190 nan 0.000 0.450 580 Y N -0.031 120.331 120.300 0.103 0.000 2.153 580 Y HA -0.109 -5.118 4.550 -15.932 0.000 0.289 580 Y C 2.611 178.601 175.900 0.150 0.000 1.119 580 Y CA 1.527 59.716 58.100 0.148 0.000 1.116 580 Y CB -0.007 38.553 38.460 0.167 0.000 1.004 580 Y HN 0.264 nan 8.280 nan 0.000 0.501 581 D N -0.494 120.085 120.400 0.299 0.000 2.259 581 D HA -0.076 -4.999 4.640 -15.939 0.000 0.216 581 D C 1.806 178.209 176.300 0.172 0.000 0.961 581 D CA 0.756 54.903 54.000 0.244 0.000 0.878 581 D CB -0.141 40.710 40.800 0.085 0.000 1.009 581 D HN 0.207 nan 8.370 nan 0.000 0.490 582 K N 1.231 121.689 120.400 0.096 0.000 2.097 582 K HA -0.067 -5.311 4.320 -15.939 0.000 0.205 582 K C 2.124 178.691 176.600 -0.055 0.000 1.050 582 K CA 1.326 57.626 56.287 0.022 0.000 0.938 582 K CB -0.250 32.258 32.500 0.013 0.000 0.718 582 K HN 0.034 nan 8.250 nan 0.000 0.442 583 G N 0.790 109.581 108.800 -0.015 0.000 2.476 583 G HA2 -0.363 -5.966 3.960 -15.939 0.000 0.218 583 G HA3 -0.363 -5.966 3.960 -15.939 0.000 0.218 583 G C 1.567 176.427 174.900 -0.067 0.000 1.164 583 G CA 1.479 46.547 45.100 -0.053 0.000 0.768 583 G HN 0.532 nan 8.290 nan 0.000 0.560 584 S N 0.392 116.101 115.700 0.016 0.000 2.383 584 S HA -0.059 -5.152 4.470 -15.939 0.000 0.227 584 S C 2.012 176.563 174.600 -0.082 0.000 1.026 584 S CA 1.651 59.862 58.200 0.019 0.000 0.981 584 S CB -0.203 63.064 63.200 0.112 0.000 0.818 584 S HN 0.355 nan 8.310 nan 0.000 0.472 585 E N 1.192 121.342 120.200 -0.083 0.000 2.106 585 E HA -0.001 -5.214 4.350 -15.939 0.000 0.192 585 E C 2.346 178.706 176.600 -0.400 0.000 0.984 585 E CA 0.925 57.206 56.400 -0.198 0.000 0.806 585 E CB -0.671 28.939 29.700 -0.151 0.000 0.750 585 E HN 0.488 nan 8.360 nan 0.000 0.458 586 V N 1.386 121.026 119.914 -0.456 0.000 2.358 586 V HA -0.234 -5.678 4.120 -15.939 0.000 0.246 586 V C 2.367 178.209 176.094 -0.420 0.000 1.047 586 V CA 1.311 63.227 62.300 -0.639 0.000 1.035 586 V CB -0.376 31.035 31.823 -0.688 0.000 0.658 586 V HN 0.246 nan 8.190 nan 0.000 0.452 587 M N -0.537 118.914 119.600 -0.249 0.000 2.159 587 M HA -0.133 -5.216 4.480 -15.939 0.000 0.263 587 M C 2.270 178.323 176.300 -0.411 0.000 1.063 587 M CA 1.588 56.822 55.300 -0.110 0.000 1.110 587 M CB -1.288 31.240 32.600 -0.119 0.000 1.374 587 M HN 0.278 nan 8.290 nan 0.000 0.411 588 R N -0.076 120.063 120.500 -0.602 0.000 2.115 588 R HA -0.039 -5.263 4.340 -15.939 0.000 0.226 588 R C 2.082 178.162 176.300 -0.367 0.000 1.100 588 R CA 0.947 56.670 56.100 -0.628 0.000 0.980 588 R CB -0.025 30.095 30.300 -0.300 0.000 0.875 588 R HN 0.301 nan 8.270 nan 0.000 0.445 589 M N -0.374 119.011 119.600 -0.359 0.000 2.213 589 M HA -0.180 -5.263 4.480 -15.939 0.000 0.263 589 M C 1.488 177.630 176.300 -0.262 0.000 1.062 589 M CA 1.448 56.563 55.300 -0.308 0.000 1.105 589 M CB -0.212 32.151 32.600 -0.395 0.000 1.385 589 M HN 0.145 nan 8.290 nan 0.000 0.417 590 Y N 0.183 120.361 120.300 -0.203 0.000 2.165 590 Y HA -0.279 3.997 4.550 -0.455 0.000 0.286 590 Y C 2.245 178.118 175.900 -0.045 0.000 1.155 590 Y CA 1.527 59.539 58.100 -0.147 0.000 1.164 590 Y CB -0.857 37.669 38.460 0.110 0.000 0.978 590 Y HN 0.188 nan 8.280 nan 0.000 0.513 591 L N -0.634 120.530 121.223 -0.099 0.000 2.056 591 L HA -0.140 -5.364 4.340 -15.939 0.000 0.207 591 L C 2.130 178.974 176.870 -0.043 0.000 1.078 591 L CA 2.187 56.875 54.840 -0.252 0.000 0.749 591 L CB -1.192 40.489 42.059 -0.629 0.000 0.901 591 L HN 0.146 nan 8.230 nan 0.000 0.433 592 T N 0.228 114.745 114.554 -0.062 0.000 2.684 592 T HA -0.188 -5.401 4.350 -15.939 0.000 0.267 592 T C 1.964 176.693 174.700 0.050 0.000 1.036 592 T CA 2.306 64.401 62.100 -0.007 0.000 1.148 592 T CB -0.407 68.441 68.868 -0.033 0.000 0.863 592 T HN 0.355 nan 8.240 nan 0.000 0.436 593 I N 0.310 120.902 120.570 0.037 0.000 2.252 593 I HA -0.080 -5.474 4.170 -15.939 0.000 0.245 593 I C 2.109 178.332 176.117 0.177 0.000 1.102 593 I CA 1.192 62.550 61.300 0.096 0.000 1.385 593 I CB -0.233 37.733 38.000 -0.056 0.000 1.064 593 I HN 0.182 nan 8.210 nan 0.000 0.414 594 L N -0.227 121.109 121.223 0.188 0.000 2.249 594 L HA 0.271 -4.952 4.340 -15.939 0.000 0.207 594 L C 1.126 178.152 176.870 0.261 0.000 1.090 594 L CA 0.318 55.312 54.840 0.256 0.000 0.802 594 L CB -0.571 41.682 42.059 0.324 0.000 0.947 594 L HN 0.421 nan 8.230 nan 0.000 0.453 595 G N 0.387 109.308 108.800 0.202 0.000 2.781 595 G HA2 -0.275 -5.878 3.960 -15.939 0.000 0.683 595 G HA3 -0.275 -5.878 3.960 -15.939 0.000 0.683 595 G C 0.273 175.288 174.900 0.192 0.000 1.390 595 G CA 0.116 45.320 45.100 0.173 0.000 0.850 595 G HN 0.249 nan 8.290 nan 0.000 0.557 596 E N 0.237 120.508 120.200 0.118 0.000 2.051 596 E HA -0.088 -5.301 4.350 -15.939 0.000 0.192 596 E C 2.859 179.481 176.600 0.038 0.000 0.991 596 E CA 2.447 58.898 56.400 0.083 0.000 0.799 596 E CB -0.210 29.488 29.700 -0.003 0.000 0.748 596 E HN 0.917 nan 8.360 nan 0.000 0.449 597 E N 0.156 120.342 120.200 -0.024 0.000 2.031 597 E HA -0.219 -5.432 4.350 -15.939 0.000 0.193 597 E C 1.700 178.207 176.600 -0.155 0.000 0.994 597 E CA 1.714 58.021 56.400 -0.155 0.000 0.800 597 E CB -1.082 28.459 29.700 -0.266 0.000 0.752 597 E HN 0.451 nan 8.360 nan 0.000 0.447 598 Y N -1.390 118.947 120.300 0.063 0.000 2.395 598 Y HA 0.048 -4.969 4.550 -15.944 0.000 0.293 598 Y C 2.317 178.276 175.900 0.099 0.000 1.123 598 Y CA 0.908 59.047 58.100 0.066 0.000 1.227 598 Y CB -0.395 38.110 38.460 0.075 0.000 1.012 598 Y HN 0.473 nan 8.280 nan 0.000 0.552 599 Y N 1.236 121.646 120.300 0.184 0.000 2.145 599 Y HA -0.247 -5.294 4.550 -15.995 0.000 0.286 599 Y C 2.083 178.093 175.900 0.183 0.000 1.145 599 Y CA 1.719 59.924 58.100 0.175 0.000 1.148 599 Y CB -0.284 38.297 38.460 0.202 0.000 0.981 599 Y HN -0.064 nan 8.280 nan 0.000 0.507 600 K N 0.133 120.579 120.400 0.078 0.000 2.147 600 K HA -0.173 -5.416 4.320 -15.939 0.000 0.205 600 K C 2.070 178.669 176.600 -0.001 0.000 1.049 600 K CA 1.605 57.882 56.287 -0.017 0.000 0.936 600 K CB -0.100 32.318 32.500 -0.137 0.000 0.722 600 K HN 0.340 nan 8.250 nan 0.000 0.446 601 K N -0.040 120.347 120.400 -0.020 0.000 2.002 601 K HA -0.101 -5.344 4.320 -15.939 0.000 0.209 601 K C 2.334 178.920 176.600 -0.024 0.000 1.048 601 K CA 1.454 57.733 56.287 -0.012 0.000 0.930 601 K CB -0.316 32.191 32.500 0.010 0.000 0.714 601 K HN 0.245 nan 8.250 nan 0.000 0.438 602 G N 0.740 109.503 108.800 -0.063 0.000 2.432 602 G HA2 -0.260 -5.864 3.960 -15.939 0.000 0.219 602 G HA3 -0.260 -5.864 3.960 -15.939 0.000 0.219 602 G C 1.358 176.110 174.900 -0.246 0.000 1.135 602 G CA 0.365 45.358 45.100 -0.179 0.000 0.767 602 G HN 0.217 nan 8.290 nan 0.000 0.550 603 F N 1.411 121.137 119.950 -0.373 0.000 2.102 603 F HA -0.032 -5.081 4.527 -15.960 0.000 0.298 603 F C 2.257 178.039 175.800 -0.030 0.000 1.105 603 F CA 1.887 59.748 58.000 -0.231 0.000 1.239 603 F CB -0.096 38.785 39.000 -0.199 0.000 0.991 603 F HN 0.180 nan 8.300 nan 0.000 0.474 604 D N 0.332 120.836 120.400 0.173 0.000 2.117 604 D HA -0.194 -5.118 4.640 -15.939 0.000 0.197 604 D C 2.315 178.600 176.300 -0.025 0.000 0.987 604 D CA 1.604 55.655 54.000 0.086 0.000 0.829 604 D CB -0.259 40.587 40.800 0.077 0.000 0.961 604 D HN 0.386 nan 8.370 nan 0.000 0.460 605 I N -0.198 120.347 120.570 -0.042 0.000 2.151 605 I HA -0.332 -5.725 4.170 -15.939 0.000 0.243 605 I C 2.124 178.204 176.117 -0.062 0.000 1.080 605 I CA 1.265 62.533 61.300 -0.052 0.000 1.339 605 I CB -0.450 37.512 38.000 -0.064 0.000 1.039 605 I HN 0.174 nan 8.210 nan 0.000 0.409 606 Y N 1.565 121.708 120.300 -0.262 0.000 2.145 606 Y HA -0.250 -5.234 4.550 -15.891 0.000 0.286 606 Y C 2.438 178.208 175.900 -0.217 0.000 1.145 606 Y CA 1.601 59.534 58.100 -0.277 0.000 1.148 606 Y CB -0.119 38.071 38.460 -0.450 0.000 0.981 606 Y HN -0.014 nan 8.280 nan 0.000 0.507 607 I N 1.194 121.548 120.570 -0.359 0.000 2.226 607 I HA -0.252 -5.645 4.170 -15.939 0.000 0.245 607 I C 2.639 178.642 176.117 -0.190 0.000 1.100 607 I CA 1.993 63.101 61.300 -0.320 0.000 1.374 607 I CB -1.843 36.060 38.000 -0.161 0.000 1.057 607 I HN 0.386 nan 8.210 nan 0.000 0.413 608 K N 1.045 121.372 120.400 -0.122 0.000 2.097 608 K HA -0.167 -5.411 4.320 -15.939 0.000 0.205 608 K C 2.191 178.737 176.600 -0.091 0.000 1.050 608 K CA 1.702 57.945 56.287 -0.074 0.000 0.938 608 K CB -0.703 31.771 32.500 -0.043 0.000 0.718 608 K HN 0.339 nan 8.250 nan 0.000 0.442 609 K N -0.187 120.146 120.400 -0.112 0.000 2.366 609 K HA 0.015 -5.228 4.320 -15.939 0.000 0.198 609 K C 0.728 177.244 176.600 -0.140 0.000 1.044 609 K CA 1.003 57.234 56.287 -0.094 0.000 0.973 609 K CB 0.230 32.703 32.500 -0.044 0.000 0.767 609 K HN 0.405 nan 8.250 nan 0.000 0.475 610 N N 0.407 118.966 118.700 -0.236 0.000 2.143 610 N HA -0.048 -4.872 4.740 -15.939 0.000 0.222 610 N C -0.867 174.503 175.510 -0.232 0.000 1.264 610 N CA -0.043 52.846 53.050 -0.269 0.000 0.897 610 N CB 0.626 38.843 38.487 -0.450 0.000 1.092 610 N HN 0.072 nan 8.380 nan 0.000 0.516 611 D N 0.878 121.166 120.400 -0.187 0.000 2.356 611 D HA 0.265 -4.658 4.640 -15.939 0.000 0.272 611 D C 0.847 177.087 176.300 -0.099 0.000 1.337 611 D CA 0.598 54.525 54.000 -0.123 0.000 0.970 611 D CB 0.094 40.857 40.800 -0.062 0.000 1.092 611 D HN 0.399 nan 8.370 nan 0.000 0.516 612 G N 2.849 111.590 108.800 -0.099 0.000 3.482 612 G HA2 0.136 -5.467 3.960 -15.939 0.000 0.120 612 G HA3 0.136 -5.467 3.960 -15.939 0.000 0.120 612 G C -0.706 174.153 174.900 -0.068 0.000 1.169 612 G CA -0.437 44.618 45.100 -0.076 0.000 1.382 612 G HN 0.564 nan 8.290 nan 0.000 0.629 613 N N -0.270 118.393 118.700 -0.061 0.000 7.824 613 N HA 0.232 -4.591 4.740 -15.939 0.000 0.072 613 N C -0.875 174.599 175.510 -0.060 0.000 0.857 613 N CA 0.153 53.166 53.050 -0.061 0.000 1.312 613 N CB 0.373 38.812 38.487 -0.079 0.000 1.159 613 N HN 0.712 nan 8.380 nan 0.000 1.326 614 T N 0.102 114.628 114.554 -0.046 0.000 2.913 614 T HA 0.865 -4.349 4.350 -15.939 0.000 0.287 614 T C 0.128 174.799 174.700 -0.048 0.000 1.008 614 T CA -0.288 61.784 62.100 -0.046 0.000 1.067 614 T CB 1.817 70.655 68.868 -0.049 0.000 0.996 614 T HN 0.593 nan 8.240 nan 0.000 0.513 615 A N 1.570 124.372 122.820 -0.030 0.000 2.594 615 A HA 0.885 -4.358 4.320 -15.939 0.000 0.291 615 A C 0.138 177.725 177.584 0.004 0.000 1.105 615 A CA -0.730 51.311 52.037 0.007 0.000 0.694 615 A CB 1.404 20.457 19.000 0.089 0.000 1.291 615 A HN 1.342 nan 8.150 nan 0.000 0.410 616 T N -2.991 111.571 114.554 0.013 0.000 2.910 616 T HA 0.426 -4.787 4.350 -15.939 0.000 0.287 616 T C 1.030 175.728 174.700 -0.003 0.000 1.050 616 T CA 0.059 62.151 62.100 -0.013 0.000 1.011 616 T CB 0.726 69.562 68.868 -0.054 0.000 1.195 616 T HN 0.737 nan 8.240 nan 0.000 0.540 617 C N 0.459 119.704 119.300 -0.092 0.000 2.413 617 C HA -0.031 -5.134 4.460 -15.939 0.000 0.277 617 C C 2.712 177.547 174.990 -0.259 0.000 1.265 617 C CA 0.964 59.805 59.018 -0.294 0.000 1.752 617 C CB -1.454 25.879 27.740 -0.679 0.000 1.998 617 C HN 1.021 nan 8.230 nan 0.000 0.489 618 E N 1.094 121.205 120.200 -0.148 0.000 2.118 618 E HA -0.166 -5.379 4.350 -15.939 0.000 0.195 618 E C 1.683 178.315 176.600 0.054 0.000 0.992 618 E CA 1.297 57.675 56.400 -0.036 0.000 0.804 618 E CB -0.295 29.396 29.700 -0.015 0.000 0.741 618 E HN 0.596 nan 8.360 nan 0.000 0.458 619 D N -0.347 120.092 120.400 0.066 0.000 2.144 619 D HA -0.170 -5.093 4.640 -15.939 0.000 0.199 619 D C 1.688 178.121 176.300 0.222 0.000 0.984 619 D CA 0.809 54.893 54.000 0.141 0.000 0.834 619 D CB -0.260 40.637 40.800 0.161 0.000 0.955 619 D HN 0.161 nan 8.370 nan 0.000 0.465 620 F N 1.479 121.422 119.950 -0.013 0.000 2.163 620 F HA -0.127 -5.270 4.527 -16.117 0.000 0.297 620 F C 2.112 177.783 175.800 -0.215 0.000 1.094 620 F CA 1.044 58.884 58.000 -0.266 0.000 1.290 620 F CB -0.161 38.559 39.000 -0.466 0.000 1.017 620 F HN -0.172 nan 8.300 nan 0.000 0.483 621 N N -0.833 117.902 118.700 0.059 0.000 2.120 621 N HA -0.284 -5.108 4.740 -15.939 0.000 0.188 621 N C 1.880 177.384 175.510 -0.011 0.000 1.024 621 N CA 1.621 54.715 53.050 0.072 0.000 0.852 621 N CB -0.606 38.031 38.487 0.249 0.000 1.003 621 N HN 0.455 nan 8.380 nan 0.000 0.424 622 Y N 0.674 120.934 120.300 -0.066 0.000 2.128 622 Y HA -0.153 -5.170 4.550 -15.945 0.000 0.284 622 Y C 2.214 178.046 175.900 -0.115 0.000 1.154 622 Y CA 1.969 60.037 58.100 -0.053 0.000 1.149 622 Y CB -0.718 37.729 38.460 -0.022 0.000 0.976 622 Y HN 0.143 nan 8.280 nan 0.000 0.505 623 A N 0.305 123.072 122.820 -0.090 0.000 1.908 623 A HA -0.221 -5.464 4.320 -15.939 0.000 0.218 623 A C 2.187 179.543 177.584 -0.381 0.000 1.181 623 A CA 2.122 54.015 52.037 -0.240 0.000 0.627 623 A CB -0.698 18.151 19.000 -0.252 0.000 0.818 623 A HN 0.526 nan 8.150 nan 0.000 0.445 624 M N -0.837 118.442 119.600 -0.535 0.000 2.229 624 M HA -0.093 -5.176 4.480 -15.939 0.000 0.264 624 M C 1.999 178.165 176.300 -0.224 0.000 1.063 624 M CA 1.575 56.584 55.300 -0.485 0.000 1.114 624 M CB -1.183 30.907 32.600 -0.850 0.000 1.387 624 M HN 0.708 nan 8.290 nan 0.000 0.420 625 E N 0.000 120.079 120.200 -0.202 0.000 2.106 625 E HA -0.201 -5.415 4.350 -15.939 0.000 0.192 625 E C 1.919 178.470 176.600 -0.081 0.000 0.984 625 E CA 0.881 57.234 56.400 -0.078 0.000 0.806 625 E CB 0.290 29.938 29.700 -0.086 0.000 0.750 625 E HN 0.391 nan 8.360 nan 0.000 0.458 626 Q N 0.149 119.814 119.800 -0.226 0.000 2.084 626 Q HA -0.131 -5.354 4.340 -15.939 0.000 0.202 626 Q C 2.153 178.109 176.000 -0.073 0.000 0.978 626 Q CA 1.493 57.184 55.803 -0.186 0.000 0.844 626 Q CB -0.594 27.999 28.738 -0.241 0.000 0.898 626 Q HN 0.368 nan 8.270 nan 0.000 0.426 627 A N -0.024 122.769 122.820 -0.045 0.000 1.972 627 A HA -0.206 -5.449 4.320 -15.939 0.000 0.219 627 A C 1.998 179.586 177.584 0.006 0.000 1.169 627 A CA 1.336 53.401 52.037 0.047 0.000 0.635 627 A CB -0.760 18.288 19.000 0.080 0.000 0.810 627 A HN 0.381 nan 8.150 nan 0.000 0.446 628 Y N 0.653 120.886 120.300 -0.112 0.000 2.200 628 Y HA -0.132 -5.108 4.550 -15.876 0.000 0.290 628 Y C 2.229 178.057 175.900 -0.120 0.000 1.137 628 Y CA 1.947 59.986 58.100 -0.102 0.000 1.163 628 Y CB -0.242 38.196 38.460 -0.036 0.000 0.988 628 Y HN 0.279 nan 8.280 nan 0.000 0.518 629 K N -0.518 119.843 120.400 -0.065 0.000 2.032 629 K HA -0.225 -5.468 4.320 -15.939 0.000 0.209 629 K C 2.143 178.640 176.600 -0.172 0.000 1.048 629 K CA 2.129 58.340 56.287 -0.127 0.000 0.927 629 K CB -0.282 32.180 32.500 -0.064 0.000 0.712 629 K HN 0.363 nan 8.250 nan 0.000 0.441 630 M N 0.744 120.254 119.600 -0.151 0.000 2.086 630 M HA -0.187 -5.271 4.480 -15.939 0.000 0.261 630 M C 2.382 178.445 176.300 -0.394 0.000 1.067 630 M CA 1.542 56.757 55.300 -0.143 0.000 1.116 630 M CB -0.218 32.409 32.600 0.045 0.000 1.348 630 M HN 0.056 nan 8.290 nan 0.000 0.407 631 K N 0.495 120.431 120.400 -0.773 0.000 2.026 631 K HA -0.157 -5.400 4.320 -15.939 0.000 0.208 631 K C 1.719 178.029 176.600 -0.483 0.000 1.048 631 K CA 1.197 56.865 56.287 -1.032 0.000 0.929 631 K CB 0.095 32.049 32.500 -0.910 0.000 0.713 631 K HN 0.100 nan 8.250 nan 0.000 0.439 632 K N -0.024 120.118 120.400 -0.431 0.000 2.486 632 K HA 0.023 -5.220 4.320 -15.939 0.000 0.194 632 K C 0.586 177.065 176.600 -0.202 0.000 1.033 632 K CA 0.762 56.854 56.287 -0.325 0.000 1.004 632 K CB 0.108 32.338 32.500 -0.449 0.000 0.798 632 K HN 0.364 nan 8.250 nan 0.000 0.495 633 A N 2.903 125.613 122.820 -0.184 0.000 2.783 633 A HA -0.183 -5.426 4.320 -15.939 0.000 0.292 633 A C -0.404 177.129 177.584 -0.085 0.000 1.495 633 A CA 1.371 53.344 52.037 -0.105 0.000 0.787 633 A CB -2.030 16.931 19.000 -0.065 0.000 1.017 633 A HN 0.549 nan 8.150 nan 0.000 0.516 634 D N -2.159 118.180 120.400 -0.102 0.000 2.931 634 D HA 0.245 -4.678 4.640 -15.939 0.000 0.215 634 D C -0.378 175.886 176.300 -0.061 0.000 1.297 634 D CA -0.784 53.175 54.000 -0.067 0.000 0.892 634 D CB 0.081 40.849 40.800 -0.054 0.000 1.642 634 D HN -0.044 nan 8.370 nan 0.000 0.560 635 N N 0.155 118.835 118.700 -0.035 0.000 2.501 635 N HA -0.040 -4.863 4.740 -15.939 0.000 0.195 635 N C 1.347 176.857 175.510 0.000 0.000 1.213 635 N CA 0.533 53.571 53.050 -0.020 0.000 0.864 635 N CB 0.143 38.622 38.487 -0.012 0.000 0.999 635 N HN 0.522 nan 8.380 nan 0.000 0.454 636 S N -1.667 114.033 115.700 -0.000 0.000 2.524 636 S HA 0.313 -4.780 4.470 -15.939 0.000 0.216 636 S C 0.881 175.506 174.600 0.041 0.000 0.987 636 S CA -0.551 57.660 58.200 0.019 0.000 0.909 636 S CB 0.206 63.414 63.200 0.012 0.000 0.781 636 S HN 0.185 nan 8.310 nan 0.000 0.521 637 A N 2.415 125.253 122.820 0.029 0.000 2.401 637 A HA 0.625 -4.618 4.320 -15.939 0.000 0.259 637 A C 0.202 177.905 177.584 0.198 0.000 1.103 637 A CA -0.530 51.560 52.037 0.088 0.000 0.789 637 A CB -0.024 18.930 19.000 -0.076 0.000 1.035 637 A HN 0.793 nan 8.150 nan 0.000 0.491 638 N N -0.307 118.577 118.700 0.307 0.000 2.774 638 N HA 0.582 -4.241 4.740 -15.939 0.000 0.264 638 N C -0.995 174.684 175.510 0.282 0.000 1.415 638 N CA -0.855 52.355 53.050 0.268 0.000 0.815 638 N CB 1.087 39.678 38.487 0.174 0.000 1.514 638 N HN 0.274 nan 8.380 nan 0.000 0.523 639 L N -0.521 120.813 121.223 0.184 0.000 3.255 639 L HA 0.386 -4.837 4.340 -15.939 0.000 0.293 639 L C 1.724 178.753 176.870 0.264 0.000 1.302 639 L CA -0.023 54.923 54.840 0.177 0.000 0.977 639 L CB -0.685 41.391 42.059 0.029 0.000 1.390 639 L HN 0.816 nan 8.230 nan 0.000 0.588 640 N N 0.236 119.072 118.700 0.226 0.000 2.166 640 N HA -0.257 -5.081 4.740 -15.939 0.000 0.186 640 N C 1.735 177.373 175.510 0.214 0.000 1.019 640 N CA 1.766 54.936 53.050 0.201 0.000 0.856 640 N CB -0.167 38.410 38.487 0.150 0.000 0.993 640 N HN 0.551 nan 8.380 nan 0.000 0.426 641 Q N -1.809 118.128 119.800 0.229 0.000 2.167 641 Q HA -0.133 -5.357 4.340 -15.939 0.000 0.202 641 Q C 1.744 177.885 176.000 0.235 0.000 0.970 641 Q CA 1.088 57.008 55.803 0.195 0.000 0.855 641 Q CB -0.297 28.548 28.738 0.178 0.000 0.911 641 Q HN 0.824 nan 8.270 nan 0.000 0.438 642 Y N 0.801 121.254 120.300 0.254 0.000 2.256 642 Y HA -0.228 -4.846 4.550 -15.279 0.000 0.288 642 Y C 1.771 177.883 175.900 0.353 0.000 1.155 642 Y CA 1.383 59.653 58.100 0.284 0.000 1.203 642 Y CB -0.023 38.541 38.460 0.173 0.000 0.980 642 Y HN 0.135 nan 8.280 nan 0.000 0.530 643 L N -0.542 120.952 121.223 0.452 0.000 2.261 643 L HA -0.279 -5.502 4.340 -15.939 0.000 0.216 643 L C 2.139 179.207 176.870 0.329 0.000 1.114 643 L CA 0.913 56.040 54.840 0.477 0.000 0.777 643 L CB -0.525 41.717 42.059 0.306 0.000 0.910 643 L HN 0.325 nan 8.230 nan 0.000 0.440 644 L N -1.990 119.295 121.223 0.103 0.000 2.261 644 L HA -0.223 -5.446 4.340 -15.939 0.000 0.216 644 L C 2.172 178.964 176.870 -0.129 0.000 1.114 644 L CA 1.378 56.187 54.840 -0.051 0.000 0.777 644 L CB -0.489 41.460 42.059 -0.182 0.000 0.910 644 L HN 0.378 nan 8.230 nan 0.000 0.440 645 W N -0.835 120.342 121.300 -0.205 0.000 2.392 645 W HA -0.170 -5.081 4.660 -15.951 0.000 0.279 645 W C 2.133 178.438 176.519 -0.357 0.000 1.225 645 W CA 0.372 57.476 57.345 -0.401 0.000 1.233 645 W CB -0.207 28.781 29.460 -0.786 0.000 1.122 645 W HN 0.027 nan 8.180 nan 0.000 0.561 646 F N -0.373 119.677 119.950 0.167 0.000 2.293 646 F HA -0.144 -5.273 4.527 -16.095 0.000 0.297 646 F C 2.555 178.420 175.800 0.108 0.000 1.089 646 F CA 1.536 59.623 58.000 0.146 0.000 1.377 646 F CB -0.809 38.291 39.000 0.167 0.000 1.051 646 F HN -0.191 nan 8.300 nan 0.000 0.511 647 S N -1.580 114.259 115.700 0.231 0.000 2.497 647 S HA 0.065 -5.029 4.470 -15.939 0.000 0.218 647 S C 0.764 175.406 174.600 0.071 0.000 1.023 647 S CA -0.442 57.848 58.200 0.151 0.000 0.913 647 S CB -0.269 63.008 63.200 0.128 0.000 0.800 647 S HN 0.339 nan 8.310 nan 0.000 0.505 648 Q N 2.855 122.661 119.800 0.010 0.000 2.303 648 Q HA 0.467 -4.756 4.340 -15.939 0.000 0.257 648 Q C -0.284 175.688 176.000 -0.047 0.000 0.941 648 Q CA -0.513 55.261 55.803 -0.049 0.000 0.931 648 Q CB 1.053 29.707 28.738 -0.141 0.000 1.215 648 Q HN 0.544 nan 8.270 nan 0.000 0.437 649 S N 2.607 118.286 115.700 -0.036 0.000 2.645 649 S HA 0.874 -4.219 4.470 -15.939 0.000 0.266 649 S C 0.264 174.814 174.600 -0.083 0.000 1.258 649 S CA 0.087 58.258 58.200 -0.049 0.000 0.990 649 S CB 1.350 64.539 63.200 -0.018 0.000 0.967 649 S HN 1.140 nan 8.310 nan 0.000 0.556 650 G N 0.262 109.006 108.800 -0.093 0.000 2.692 650 G HA2 0.039 -5.564 3.960 -15.939 0.000 0.686 650 G HA3 0.039 -5.564 3.960 -15.939 0.000 0.686 650 G C -0.550 174.260 174.900 -0.151 0.000 1.243 650 G CA -0.562 44.470 45.100 -0.114 0.000 0.782 650 G HN 1.065 nan 8.290 nan 0.000 0.625 651 T N 3.883 118.312 114.554 -0.208 0.000 2.743 651 T HA 0.587 -4.627 4.350 -15.939 0.000 0.293 651 T C -2.127 172.432 174.700 -0.235 0.000 0.945 651 T CA -0.653 61.232 62.100 -0.359 0.000 1.030 651 T CB 1.642 69.977 68.868 -0.887 0.000 0.912 651 T HN 0.492 nan 8.240 nan 0.000 0.483 652 P HA 0.222 nan 4.420 nan 0.000 0.271 652 P C -0.703 176.577 177.300 -0.034 0.000 1.216 652 P CA -0.356 62.703 63.100 -0.068 0.000 0.776 652 P CB 0.292 31.961 31.700 -0.051 0.000 0.881 653 H N 0.143 119.274 119.070 0.102 0.000 2.519 653 H HA 0.422 -4.584 4.556 -15.938 0.000 0.316 653 H C -0.435 174.989 175.328 0.160 0.000 1.065 653 H CA -0.565 55.605 56.048 0.203 0.000 1.264 653 H CB 0.609 30.508 29.762 0.228 0.000 1.413 653 H HN 0.012 nan 8.280 nan 0.000 0.465 654 V N 3.715 123.782 119.914 0.256 0.000 2.378 654 V HA 0.392 -5.051 4.120 -15.939 0.000 0.288 654 V C -0.164 175.992 176.094 0.103 0.000 1.016 654 V CA -0.690 61.705 62.300 0.159 0.000 0.840 654 V CB 1.034 33.027 31.823 0.284 0.000 0.994 654 V HN 0.936 nan 8.190 nan 0.000 0.431 655 S N 4.230 119.869 115.700 -0.101 0.000 2.607 655 S HA 0.906 -4.187 4.470 -15.939 0.000 0.303 655 S C -1.101 173.268 174.600 -0.385 0.000 1.086 655 S CA -0.668 57.500 58.200 -0.054 0.000 0.995 655 S CB 2.053 65.284 63.200 0.052 0.000 1.084 655 S HN 0.299 nan 8.310 nan 0.000 0.507 656 F N 0.002 119.966 119.950 0.025 0.000 2.588 656 F HA 0.672 -4.366 4.527 -15.941 0.000 0.310 656 F C 0.192 175.775 175.800 -0.362 0.000 1.082 656 F CA -0.677 57.225 58.000 -0.163 0.000 0.929 656 F CB 2.476 41.385 39.000 -0.152 0.000 1.254 656 F HN 0.530 nan 8.300 nan 0.000 0.455 657 K N 1.342 121.575 120.400 -0.279 0.000 2.477 657 K HA 0.670 -4.574 4.320 -15.939 0.000 0.255 657 K C -1.934 174.380 176.600 -0.476 0.000 0.952 657 K CA -0.959 55.109 56.287 -0.364 0.000 0.826 657 K CB 2.685 35.164 32.500 -0.036 0.000 1.331 657 K HN 0.470 nan 8.250 nan 0.000 0.437 658 Y N -0.015 120.370 120.300 0.142 0.000 2.545 658 Y HA 0.481 -4.533 4.550 -15.940 0.000 0.348 658 Y C -0.402 175.519 175.900 0.035 0.000 1.002 658 Y CA -1.107 57.021 58.100 0.047 0.000 1.039 658 Y CB 2.045 40.564 38.460 0.098 0.000 1.271 658 Y HN 0.533 nan 8.280 nan 0.000 0.467 659 N N 0.655 119.423 118.700 0.113 0.000 2.287 659 N HA 0.363 -4.460 4.740 -15.939 0.000 0.289 659 N C -2.383 173.260 175.510 0.221 0.000 1.066 659 N CA -0.658 52.475 53.050 0.138 0.000 0.841 659 N CB 1.382 39.911 38.487 0.070 0.000 1.599 659 N HN 0.596 nan 8.380 nan 0.000 0.476 660 Y N 2.014 122.420 120.300 0.175 0.000 2.361 660 Y HA 0.390 -4.623 4.550 -15.939 0.000 0.337 660 Y C -1.291 174.699 175.900 0.149 0.000 0.965 660 Y CA -0.915 57.331 58.100 0.243 0.000 1.091 660 Y CB 1.337 39.986 38.460 0.315 0.000 1.182 660 Y HN 0.458 nan 8.280 nan 0.000 0.450 661 D N 5.085 125.180 120.400 -0.509 0.000 2.454 661 D HA 0.337 -4.586 4.640 -15.939 0.000 0.225 661 D C 0.539 176.407 176.300 -0.719 0.000 1.081 661 D CA 0.301 54.042 54.000 -0.431 0.000 0.864 661 D CB 1.814 42.494 40.800 -0.201 0.000 1.040 661 D HN 0.880 nan 8.370 nan 0.000 0.517 662 A N 3.515 126.036 122.820 -0.498 0.000 1.933 662 A HA -0.191 -5.434 4.320 -15.939 0.000 0.218 662 A C 2.004 179.517 177.584 -0.118 0.000 1.175 662 A CA 2.194 54.087 52.037 -0.241 0.000 0.628 662 A CB -0.464 18.569 19.000 0.055 0.000 0.814 662 A HN 0.638 nan 8.150 nan 0.000 0.444 663 E N 0.163 120.304 120.200 -0.098 0.000 2.152 663 E HA -0.103 -5.316 4.350 -15.939 0.000 0.192 663 E C 1.924 178.493 176.600 -0.053 0.000 0.983 663 E CA 1.436 57.806 56.400 -0.048 0.000 0.818 663 E CB -0.560 29.121 29.700 -0.032 0.000 0.758 663 E HN 0.754 nan 8.360 nan 0.000 0.467 664 K N -0.611 119.734 120.400 -0.092 0.000 2.361 664 K HA 0.004 -5.239 4.320 -15.939 0.000 0.196 664 K C 0.026 176.602 176.600 -0.040 0.000 1.039 664 K CA 0.388 56.639 56.287 -0.059 0.000 1.001 664 K CB 0.489 32.953 32.500 -0.060 0.000 0.795 664 K HN 0.021 nan 8.250 nan 0.000 0.495 665 K N 1.172 121.523 120.400 -0.082 0.000 3.071 665 K HA -0.230 -5.473 4.320 -15.939 0.000 0.265 665 K C -0.519 176.141 176.600 0.100 0.000 1.060 665 K CA 0.819 57.124 56.287 0.029 0.000 0.767 665 K CB -2.033 30.522 32.500 0.093 0.000 1.241 665 K HN 0.455 nan 8.250 nan 0.000 0.486 666 Q N 0.243 120.039 119.800 -0.007 0.000 2.330 666 Q HA 0.437 -4.786 4.340 -15.939 0.000 0.269 666 Q C -1.616 174.538 176.000 0.257 0.000 1.022 666 Q CA -0.860 55.019 55.803 0.128 0.000 0.796 666 Q CB 1.251 30.018 28.738 0.048 0.000 1.271 666 Q HN 0.217 nan 8.270 nan 0.000 0.450 667 Y N 1.791 122.274 120.300 0.306 0.000 2.364 667 Y HA 0.510 -4.504 4.550 -15.940 0.000 0.340 667 Y C -1.264 174.889 175.900 0.421 0.000 0.975 667 Y CA -0.460 57.890 58.100 0.416 0.000 1.089 667 Y CB 1.895 40.610 38.460 0.425 0.000 1.192 667 Y HN 0.551 nan 8.280 nan 0.000 0.454 668 S N 6.729 122.332 115.700 -0.163 0.000 2.473 668 S HA 0.630 -4.463 4.470 -15.939 0.000 0.307 668 S C -0.892 173.635 174.600 -0.122 0.000 1.094 668 S CA -0.677 57.499 58.200 -0.041 0.000 1.070 668 S CB 0.946 64.159 63.200 0.021 0.000 1.019 668 S HN 0.555 nan 8.310 nan 0.000 0.480 669 I N 3.031 123.718 120.570 0.194 0.000 2.382 669 I HA 0.275 -5.118 4.170 -15.939 0.000 0.285 669 I C -0.433 175.898 176.117 0.356 0.000 1.007 669 I CA -0.555 60.952 61.300 0.344 0.000 1.142 669 I CB 1.008 39.340 38.000 0.553 0.000 1.289 669 I HN 0.657 nan 8.210 nan 0.000 0.453 670 H N 6.320 125.466 119.070 0.128 0.000 2.517 670 H HA 0.630 -4.376 4.556 -15.936 0.000 0.317 670 H C -1.294 174.061 175.328 0.044 0.000 1.080 670 H CA -0.382 55.707 56.048 0.068 0.000 1.301 670 H CB 1.131 30.882 29.762 -0.017 0.000 1.425 670 H HN 0.292 nan 8.280 nan 0.000 0.471 671 V N 5.136 124.742 119.914 -0.513 0.000 2.628 671 V HA 0.319 -5.124 4.120 -15.939 0.000 0.306 671 V C -0.235 175.536 176.094 -0.540 0.000 1.045 671 V CA -1.018 60.998 62.300 -0.473 0.000 0.905 671 V CB 1.659 33.380 31.823 -0.170 0.000 0.997 671 V HN 0.883 nan 8.190 nan 0.000 0.436 672 N N 2.346 120.807 118.700 -0.398 0.000 2.238 672 N HA 0.607 -4.216 4.740 -15.939 0.000 0.302 672 N C -1.014 174.440 175.510 -0.094 0.000 1.072 672 N CA -0.667 52.261 53.050 -0.204 0.000 0.792 672 N CB 2.201 40.616 38.487 -0.119 0.000 1.425 672 N HN 0.873 nan 8.380 nan 0.000 0.478 673 Q N 1.613 121.407 119.800 -0.010 0.000 2.365 673 Q HA 0.502 -4.721 4.340 -15.939 0.000 0.269 673 Q C -1.775 174.309 176.000 0.140 0.000 1.061 673 Q CA -0.917 54.925 55.803 0.065 0.000 0.816 673 Q CB 2.413 31.175 28.738 0.040 0.000 1.325 673 Q HN 0.636 nan 8.270 nan 0.000 0.446 674 Y N 0.565 120.879 120.300 0.022 0.000 2.399 674 Y HA 0.428 -4.583 4.550 -15.936 0.000 0.327 674 Y C -1.778 174.166 175.900 0.073 0.000 1.111 674 Y CA -0.345 57.759 58.100 0.008 0.000 1.047 674 Y CB 2.368 40.809 38.460 -0.032 0.000 1.259 674 Y HN 0.803 nan 8.280 nan 0.000 0.434 675 T N 6.298 120.508 114.554 -0.572 0.000 2.797 675 T HA 0.388 -4.826 4.350 -15.939 0.000 0.279 675 T C -0.743 173.394 174.700 -0.938 0.000 0.991 675 T CA -0.926 60.841 62.100 -0.555 0.000 0.979 675 T CB 1.038 69.728 68.868 -0.296 0.000 0.943 675 T HN 0.485 nan 8.240 nan 0.000 0.444 676 K N 3.606 123.572 120.400 -0.722 0.000 2.412 676 K HA 0.211 -5.033 4.320 -15.939 0.000 0.281 676 K C -2.322 174.135 176.600 -0.238 0.000 1.027 676 K CA -1.421 54.591 56.287 -0.458 0.000 0.989 676 K CB 0.228 32.620 32.500 -0.180 0.000 0.935 676 K HN 0.289 nan 8.250 nan 0.000 0.475 677 P HA -0.097 nan 4.420 nan 0.000 0.266 677 P C -1.076 176.188 177.300 -0.061 0.000 1.193 677 P CA 0.298 63.349 63.100 -0.081 0.000 0.770 677 P CB 0.563 32.243 31.700 -0.035 0.000 0.836 678 D N -0.729 119.644 120.400 -0.045 0.000 2.867 678 D HA 0.333 -4.590 4.640 -15.939 0.000 0.308 678 D C 0.857 177.153 176.300 -0.007 0.000 1.202 678 D CA -0.495 53.489 54.000 -0.027 0.000 1.035 678 D CB -0.415 40.367 40.800 -0.030 0.000 1.427 678 D HN 0.193 nan 8.370 nan 0.000 0.570 679 E N -0.622 119.583 120.200 0.008 0.000 2.478 679 E HA -0.078 -5.291 4.350 -15.939 0.000 0.198 679 E C 0.955 177.575 176.600 0.034 0.000 1.046 679 E CA 1.041 57.456 56.400 0.024 0.000 0.870 679 E CB -0.916 28.805 29.700 0.036 0.000 0.818 679 E HN 0.409 nan 8.360 nan 0.000 0.527 680 N N -0.650 118.068 118.700 0.030 0.000 2.436 680 N HA 0.052 -4.771 4.740 -15.939 0.000 0.178 680 N C 0.147 175.671 175.510 0.024 0.000 1.026 680 N CA 0.458 53.533 53.050 0.041 0.000 0.880 680 N CB 0.543 39.061 38.487 0.051 0.000 1.061 680 N HN 0.331 nan 8.380 nan 0.000 0.434 681 Q N -0.191 119.610 119.800 0.002 0.000 2.304 681 Q HA 0.465 -4.758 4.340 -15.939 0.000 0.270 681 Q C 0.628 176.618 176.000 -0.017 0.000 1.035 681 Q CA -0.282 55.515 55.803 -0.009 0.000 0.781 681 Q CB 1.937 30.660 28.738 -0.025 0.000 1.261 681 Q HN 0.133 nan 8.270 nan 0.000 0.444 682 K N 1.180 121.575 120.400 -0.010 0.000 2.002 682 K HA 0.043 -5.200 4.320 -15.939 0.000 0.209 682 K C 0.837 177.426 176.600 -0.018 0.000 1.048 682 K CA 2.019 58.300 56.287 -0.011 0.000 0.930 682 K CB -0.872 31.626 32.500 -0.004 0.000 0.714 682 K HN 0.700 nan 8.250 nan 0.000 0.438 683 E N 2.041 122.229 120.200 -0.020 0.000 2.156 683 E HA 0.501 -4.713 4.350 -15.939 0.000 0.279 683 E C -0.648 175.925 176.600 -0.045 0.000 0.965 683 E CA -0.923 55.462 56.400 -0.026 0.000 0.789 683 E CB 0.702 30.391 29.700 -0.017 0.000 1.098 683 E HN 0.366 nan 8.360 nan 0.000 0.397 684 K N 2.074 122.435 120.400 -0.064 0.000 2.138 684 K HA 0.443 -4.801 4.320 -15.939 0.000 0.263 684 K C -0.406 176.141 176.600 -0.088 0.000 0.965 684 K CA -0.525 55.703 56.287 -0.098 0.000 0.868 684 K CB 1.774 34.183 32.500 -0.152 0.000 1.083 684 K HN 0.489 nan 8.250 nan 0.000 0.443 685 K N 2.189 122.526 120.400 -0.106 0.000 2.123 685 K HA 0.408 -4.835 4.320 -15.939 0.000 0.248 685 K C -2.416 174.104 176.600 -0.133 0.000 0.969 685 K CA -1.956 54.274 56.287 -0.095 0.000 0.882 685 K CB 0.848 33.299 32.500 -0.080 0.000 1.080 685 K HN 0.232 nan 8.250 nan 0.000 0.441 686 P HA 0.078 nan 4.420 nan 0.000 0.271 686 P C -0.763 176.434 177.300 -0.172 0.000 1.216 686 P CA 0.087 63.118 63.100 -0.115 0.000 0.771 686 P CB 0.438 32.099 31.700 -0.065 0.000 0.864 687 L N 2.658 123.727 121.223 -0.256 0.000 2.416 687 L HA 0.426 -4.797 4.340 -15.939 0.000 0.262 687 L C 0.620 177.440 176.870 -0.084 0.000 1.093 687 L CA -0.935 53.663 54.840 -0.403 0.000 0.801 687 L CB 0.514 41.975 42.059 -0.996 0.000 1.191 687 L HN 0.318 nan 8.230 nan 0.000 0.459 688 F N 3.052 122.918 119.950 -0.140 0.000 2.468 688 F HA 0.352 -4.620 4.527 -15.832 0.000 0.356 688 F C -0.153 175.849 175.800 0.337 0.000 1.167 688 F CA -0.462 57.625 58.000 0.144 0.000 1.135 688 F CB 0.135 39.293 39.000 0.264 0.000 1.197 688 F HN 0.206 nan 8.300 nan 0.000 0.569 689 I N 8.825 129.778 120.570 0.638 0.000 2.355 689 I HA 0.286 -5.107 4.170 -15.939 0.000 0.288 689 I C -2.294 174.111 176.117 0.481 0.000 0.999 689 I CA -2.260 59.380 61.300 0.567 0.000 1.163 689 I CB 1.532 39.785 38.000 0.422 0.000 1.316 689 I HN 0.365 nan 8.210 nan 0.000 0.454 690 P HA 0.363 nan 4.420 nan 0.000 0.293 690 P C -0.681 176.703 177.300 0.140 0.000 1.300 690 P CA -0.181 63.083 63.100 0.272 0.000 0.792 690 P CB 0.936 32.754 31.700 0.196 0.000 0.925 691 I N 2.004 122.557 120.570 -0.029 0.000 2.464 691 I HA 0.172 -5.221 4.170 -15.939 0.000 0.277 691 I C 0.184 176.188 176.117 -0.189 0.000 1.040 691 I CA -0.457 60.653 61.300 -0.316 0.000 1.153 691 I CB 1.048 38.711 38.000 -0.561 0.000 1.274 691 I HN 0.127 nan 8.210 nan 0.000 0.469 692 S N 5.548 121.198 115.700 -0.083 0.000 2.510 692 S HA 0.395 -4.698 4.470 -15.939 0.000 0.279 692 S C 0.085 174.661 174.600 -0.039 0.000 1.284 692 S CA -0.614 57.576 58.200 -0.017 0.000 1.059 692 S CB 0.919 64.146 63.200 0.045 0.000 0.901 692 S HN 0.490 nan 8.310 nan 0.000 0.491 693 V N 0.725 120.617 119.914 -0.038 0.000 2.876 693 V HA 1.053 -4.390 4.120 -15.939 0.000 0.312 693 V C 0.135 176.195 176.094 -0.056 0.000 1.085 693 V CA -0.750 61.515 62.300 -0.058 0.000 0.945 693 V CB 1.673 33.446 31.823 -0.084 0.000 1.017 693 V HN 0.828 nan 8.190 nan 0.000 0.428 694 G N 2.154 110.909 108.800 -0.076 0.000 2.630 694 G HA2 0.753 -4.850 3.960 -15.939 0.000 0.296 694 G HA3 0.753 -4.850 3.960 -15.939 0.000 0.296 694 G C -1.552 173.247 174.900 -0.168 0.000 1.285 694 G CA -1.060 43.979 45.100 -0.102 0.000 0.958 694 G HN 0.875 nan 8.290 nan 0.000 0.479 695 L N 1.313 122.412 121.223 -0.206 0.000 2.349 695 L HA 0.433 -4.790 4.340 -15.939 0.000 0.278 695 L C -0.738 176.000 176.870 -0.219 0.000 0.996 695 L CA -0.889 53.786 54.840 -0.276 0.000 0.825 695 L CB 1.872 43.696 42.059 -0.390 0.000 1.243 695 L HN 0.202 nan 8.230 nan 0.000 0.412 696 I N 3.082 123.526 120.570 -0.209 0.000 2.336 696 I HA 0.183 -5.210 4.170 -15.939 0.000 0.292 696 I C 0.283 176.287 176.117 -0.189 0.000 0.991 696 I CA -0.371 60.836 61.300 -0.155 0.000 1.227 696 I CB 1.408 39.348 38.000 -0.100 0.000 1.366 696 I HN 0.565 nan 8.210 nan 0.000 0.466 697 N N 9.675 128.276 118.700 -0.164 0.000 2.416 697 N HA 0.121 -4.703 4.740 -15.939 0.000 0.265 697 N C -1.670 173.747 175.510 -0.155 0.000 1.195 697 N CA -1.489 51.460 53.050 -0.169 0.000 0.943 697 N CB 1.282 39.685 38.487 -0.140 0.000 1.115 697 N HN 0.310 nan 8.380 nan 0.000 0.481 698 P HA -0.039 nan 4.420 nan 0.000 0.226 698 P C 0.819 178.036 177.300 -0.139 0.000 1.153 698 P CA 1.054 64.077 63.100 -0.128 0.000 0.777 698 P CB 0.236 31.864 31.700 -0.121 0.000 0.794 699 E N 1.387 121.503 120.200 -0.140 0.000 2.158 699 E HA -0.137 -5.351 4.350 -15.939 0.000 0.191 699 E C 1.424 177.924 176.600 -0.166 0.000 0.982 699 E CA 1.462 57.783 56.400 -0.131 0.000 0.823 699 E CB -1.120 28.520 29.700 -0.101 0.000 0.766 699 E HN 0.493 nan 8.360 nan 0.000 0.468 700 N N -3.002 115.587 118.700 -0.184 0.000 2.118 700 N HA 0.237 -4.586 4.740 -15.939 0.000 0.226 700 N C 1.356 176.714 175.510 -0.253 0.000 1.305 700 N CA 0.891 53.817 53.050 -0.206 0.000 0.890 700 N CB 0.534 38.941 38.487 -0.134 0.000 1.118 700 N HN 0.720 nan 8.380 nan 0.000 0.511 701 G N 0.376 109.029 108.800 -0.245 0.000 2.155 701 G HA2 -0.303 -5.906 3.960 -15.939 0.000 0.257 701 G HA3 -0.303 -5.906 3.960 -15.939 0.000 0.257 701 G C -0.257 174.590 174.900 -0.087 0.000 0.983 701 G CA 0.432 45.425 45.100 -0.178 0.000 0.676 701 G HN 0.372 nan 8.290 nan 0.000 0.528 702 K N 0.709 121.051 120.400 -0.096 0.000 2.126 702 K HA 0.325 -4.919 4.320 -15.939 0.000 0.257 702 K C 0.509 177.067 176.600 -0.071 0.000 1.007 702 K CA -0.552 55.694 56.287 -0.068 0.000 0.928 702 K CB 0.697 33.158 32.500 -0.066 0.000 1.013 702 K HN 0.263 nan 8.250 nan 0.000 0.473 703 E N 2.468 122.635 120.200 -0.055 0.000 2.376 703 E HA -0.010 -5.223 4.350 -15.939 0.000 0.266 703 E C 0.736 177.294 176.600 -0.069 0.000 1.009 703 E CA 0.334 56.697 56.400 -0.061 0.000 0.902 703 E CB 0.667 30.343 29.700 -0.040 0.000 0.972 703 E HN 0.451 nan 8.360 nan 0.000 0.439 704 M N 2.198 121.741 119.600 -0.096 0.000 2.516 704 M HA 0.193 -4.890 4.480 -15.939 0.000 0.259 704 M C 0.915 177.177 176.300 -0.063 0.000 1.146 704 M CA 0.537 55.782 55.300 -0.091 0.000 1.122 704 M CB 0.276 32.792 32.600 -0.139 0.000 1.341 704 M HN 0.445 nan 8.290 nan 0.000 0.478 705 I N -4.142 116.387 120.570 -0.069 0.000 3.042 705 I HA 0.559 -4.834 4.170 -15.939 0.000 0.310 705 I C -0.409 175.702 176.117 -0.011 0.000 1.117 705 I CA -1.068 60.215 61.300 -0.029 0.000 1.003 705 I CB 1.904 39.875 38.000 -0.048 0.000 1.228 705 I HN -0.298 nan 8.210 nan 0.000 0.443 706 S N 1.435 117.149 115.700 0.023 0.000 2.600 706 S HA 0.052 -5.041 4.470 -15.939 0.000 0.265 706 S C -0.092 174.527 174.600 0.031 0.000 1.325 706 S CA -0.357 57.861 58.200 0.029 0.000 1.002 706 S CB 0.553 63.781 63.200 0.045 0.000 0.921 706 S HN 0.725 nan 8.310 nan 0.000 0.554 707 Q N 1.124 120.942 119.800 0.031 0.000 2.618 707 Q HA -0.083 -5.306 4.340 -15.939 0.000 0.344 707 Q C -0.997 175.037 176.000 0.057 0.000 1.073 707 Q CA 0.758 56.583 55.803 0.037 0.000 1.105 707 Q CB -0.082 28.680 28.738 0.041 0.000 1.028 707 Q HN 0.532 nan 8.270 nan 0.000 0.397 708 T N 3.966 118.553 114.554 0.055 0.000 2.921 708 T HA 0.327 -4.886 4.350 -15.939 0.000 0.297 708 T C -1.052 173.682 174.700 0.057 0.000 1.013 708 T CA -0.597 61.553 62.100 0.084 0.000 0.990 708 T CB 1.802 70.755 68.868 0.141 0.000 1.023 708 T HN 0.454 nan 8.240 nan 0.000 0.447 709 T N 4.158 118.752 114.554 0.066 0.000 2.788 709 T HA 0.441 -4.773 4.350 -15.939 0.000 0.296 709 T C 0.257 174.972 174.700 0.025 0.000 1.009 709 T CA -0.621 61.506 62.100 0.044 0.000 0.949 709 T CB 0.191 69.109 68.868 0.083 0.000 0.946 709 T HN 0.367 nan 8.240 nan 0.000 0.453 710 L N 3.449 124.614 121.223 -0.097 0.000 2.410 710 L HA 0.288 -4.935 4.340 -15.939 0.000 0.273 710 L C 0.781 177.597 176.870 -0.090 0.000 1.152 710 L CA -0.154 54.513 54.840 -0.288 0.000 0.855 710 L CB 0.349 41.917 42.059 -0.818 0.000 1.129 710 L HN 0.574 nan 8.230 nan 0.000 0.463 711 E N 3.834 124.075 120.200 0.068 0.000 1.993 711 E HA 0.214 -4.999 4.350 -15.939 0.000 0.271 711 E C -0.809 175.882 176.600 0.152 0.000 1.008 711 E CA -0.632 55.859 56.400 0.151 0.000 0.814 711 E CB 1.348 31.132 29.700 0.140 0.000 1.098 711 E HN 0.280 nan 8.360 nan 0.000 0.407 712 L N 3.887 125.207 121.223 0.161 0.000 2.283 712 L HA 0.165 -5.058 4.340 -15.939 0.000 0.287 712 L C 0.826 177.710 176.870 0.023 0.000 1.073 712 L CA 0.516 55.468 54.840 0.187 0.000 0.822 712 L CB 0.689 42.868 42.059 0.200 0.000 1.186 712 L HN 0.438 nan 8.230 nan 0.000 0.436 713 T N 0.228 114.745 114.554 -0.063 0.000 3.040 713 T HA 0.343 -4.870 4.350 -15.939 0.000 0.266 713 T C 0.683 175.340 174.700 -0.071 0.000 1.005 713 T CA -0.208 61.804 62.100 -0.147 0.000 0.906 713 T CB 0.079 68.773 68.868 -0.291 0.000 1.082 713 T HN 0.478 nan 8.240 nan 0.000 0.531 714 K N 0.800 121.174 120.400 -0.042 0.000 2.280 714 K HA 0.425 -4.818 4.320 -15.939 0.000 0.234 714 K C 0.921 177.504 176.600 -0.029 0.000 1.028 714 K CA -0.715 55.548 56.287 -0.039 0.000 0.882 714 K CB 1.884 34.355 32.500 -0.048 0.000 1.194 714 K HN 0.026 nan 8.250 nan 0.000 0.458 715 E N 0.537 120.722 120.200 -0.026 0.000 2.153 715 E HA -0.126 -5.339 4.350 -15.939 0.000 0.194 715 E C -0.172 176.411 176.600 -0.028 0.000 0.988 715 E CA 0.972 57.363 56.400 -0.016 0.000 0.811 715 E CB 0.296 29.995 29.700 -0.003 0.000 0.746 715 E HN 0.498 nan 8.360 nan 0.000 0.466 716 S N -0.903 114.772 115.700 -0.043 0.000 2.570 716 S HA 0.539 -4.554 4.470 -15.939 0.000 0.270 716 S C -1.313 173.224 174.600 -0.105 0.000 1.149 716 S CA -1.113 57.027 58.200 -0.100 0.000 0.837 716 S CB 2.376 65.552 63.200 -0.040 0.000 1.124 716 S HN 0.079 nan 8.310 nan 0.000 0.465 717 D N -0.254 120.028 120.400 -0.197 0.000 2.623 717 D HA 0.568 -4.355 4.640 -15.939 0.000 0.241 717 D C -1.558 174.587 176.300 -0.259 0.000 1.241 717 D CA -0.060 53.788 54.000 -0.254 0.000 0.788 717 D CB 2.585 43.137 40.800 -0.413 0.000 1.413 717 D HN 0.614 nan 8.370 nan 0.000 0.429 718 T N 1.842 116.221 114.554 -0.293 0.000 2.786 718 T HA 0.502 -4.711 4.350 -15.939 0.000 0.283 718 T C -0.540 173.933 174.700 -0.379 0.000 0.992 718 T CA -0.353 61.666 62.100 -0.135 0.000 0.954 718 T CB 0.097 68.976 68.868 0.019 0.000 0.934 718 T HN 0.083 nan 8.240 nan 0.000 0.440 719 F N 2.505 122.477 119.950 0.037 0.000 2.404 719 F HA 0.551 -4.486 4.527 -15.940 0.000 0.354 719 F C 0.180 175.903 175.800 -0.129 0.000 1.122 719 F CA -0.969 56.994 58.000 -0.061 0.000 1.080 719 F CB 1.099 40.122 39.000 0.038 0.000 1.131 719 F HN 0.180 nan 8.300 nan 0.000 0.471 720 V N 4.150 123.961 119.914 -0.173 0.000 2.581 720 V HA 0.467 -4.976 4.120 -15.939 0.000 0.303 720 V C -0.648 175.227 176.094 -0.364 0.000 1.041 720 V CA -1.030 61.202 62.300 -0.113 0.000 0.907 720 V CB 1.705 33.501 31.823 -0.045 0.000 0.994 720 V HN 0.459 nan 8.190 nan 0.000 0.442 721 F N 2.534 122.609 119.950 0.208 0.000 2.518 721 F HA 0.544 -4.494 4.527 -15.941 0.000 0.323 721 F C 0.380 176.292 175.800 0.186 0.000 1.129 721 F CA -0.656 57.469 58.000 0.209 0.000 0.920 721 F CB 1.656 40.818 39.000 0.270 0.000 1.160 721 F HN 0.384 nan 8.300 nan 0.000 0.440 722 N N 2.008 120.869 118.700 0.268 0.000 2.482 722 N HA 0.283 -4.541 4.740 -15.939 0.000 0.279 722 N C -0.183 175.441 175.510 0.190 0.000 1.182 722 N CA -0.419 52.745 53.050 0.190 0.000 0.969 722 N CB 0.600 39.154 38.487 0.113 0.000 1.201 722 N HN 0.549 nan 8.380 nan 0.000 0.523 723 N N -0.011 118.776 118.700 0.145 0.000 2.740 723 N HA -0.160 -4.983 4.740 -15.939 0.000 0.248 723 N C -0.986 174.605 175.510 0.135 0.000 1.062 723 N CA 0.546 53.669 53.050 0.120 0.000 0.704 723 N CB -0.944 37.599 38.487 0.093 0.000 0.968 723 N HN 0.404 nan 8.380 nan 0.000 0.547 724 I N 0.330 121.013 120.570 0.189 0.000 2.287 724 I HA 0.201 -5.192 4.170 -15.939 0.000 0.290 724 I C 1.731 177.980 176.117 0.220 0.000 1.069 724 I CA -0.389 61.021 61.300 0.184 0.000 1.237 724 I CB 0.531 38.687 38.000 0.260 0.000 1.418 724 I HN 0.127 nan 8.210 nan 0.000 0.481 725 A N 5.661 128.547 122.820 0.110 0.000 2.015 725 A HA 0.059 -5.185 4.320 -15.939 0.000 0.219 725 A C 0.994 178.655 177.584 0.128 0.000 1.163 725 A CA 1.013 53.115 52.037 0.108 0.000 0.646 725 A CB 0.302 19.328 19.000 0.045 0.000 0.806 725 A HN 0.476 nan 8.150 nan 0.000 0.448 726 V N -0.902 119.014 119.914 0.004 0.000 3.114 726 V HA 0.347 -5.096 4.120 -15.939 0.000 0.308 726 V C -0.624 175.084 176.094 -0.642 0.000 1.168 726 V CA -1.157 61.053 62.300 -0.151 0.000 1.015 726 V CB 2.004 33.747 31.823 -0.133 0.000 1.050 726 V HN 0.334 nan 8.190 nan 0.000 0.433 727 K N 5.480 125.305 120.400 -0.958 0.000 2.419 727 K HA 0.260 -4.983 4.320 -15.939 0.000 0.282 727 K C -2.348 173.855 176.600 -0.662 0.000 1.056 727 K CA -0.936 54.633 56.287 -1.197 0.000 1.035 727 K CB 0.695 32.804 32.500 -0.651 0.000 0.921 727 K HN 0.462 nan 8.250 nan 0.000 0.472 728 P HA 0.223 nan 4.420 nan 0.000 0.280 728 P C -0.511 176.507 177.300 -0.469 0.000 1.272 728 P CA -0.382 62.362 63.100 -0.593 0.000 0.819 728 P CB 0.850 32.089 31.700 -0.770 0.000 1.122 729 I N 2.085 122.450 120.570 -0.342 0.000 2.321 729 I HA 0.275 -5.119 4.170 -15.939 0.000 0.291 729 I C -2.065 173.884 176.117 -0.280 0.000 0.998 729 I CA -2.651 58.483 61.300 -0.277 0.000 1.227 729 I CB 1.731 39.626 38.000 -0.175 0.000 1.368 729 I HN 0.129 nan 8.210 nan 0.000 0.466 730 P HA 0.047 nan 4.420 nan 0.000 0.281 730 P C -0.544 176.656 177.300 -0.167 0.000 1.252 730 P CA -0.339 62.623 63.100 -0.231 0.000 0.778 730 P CB 1.414 32.982 31.700 -0.219 0.000 0.895 731 S N 4.063 119.690 115.700 -0.123 0.000 2.466 731 S HA 0.417 -4.677 4.470 -15.939 0.000 0.313 731 S C -0.355 174.229 174.600 -0.026 0.000 1.078 731 S CA -0.685 57.482 58.200 -0.055 0.000 1.115 731 S CB -0.951 62.228 63.200 -0.036 0.000 1.006 731 S HN 0.253 nan 8.310 nan 0.000 0.487 732 L N 4.712 125.938 121.223 0.005 0.000 2.317 732 L HA 0.608 -4.615 4.340 -15.939 0.000 0.281 732 L C -0.327 176.731 176.870 0.314 0.000 1.024 732 L CA -0.889 53.950 54.840 -0.001 0.000 0.810 732 L CB 0.603 42.527 42.059 -0.224 0.000 1.240 732 L HN 0.706 nan 8.230 nan 0.000 0.427 733 F N 0.911 120.980 119.950 0.199 0.000 3.040 733 F HA -0.208 -5.249 4.527 -15.947 0.000 0.298 733 F C 0.841 176.815 175.800 0.291 0.000 0.948 733 F CA 0.111 58.254 58.000 0.238 0.000 1.022 733 F CB -1.272 37.925 39.000 0.328 0.000 1.023 733 F HN 0.544 nan 8.300 nan 0.000 0.742 734 R N 0.532 121.225 120.500 0.322 0.000 2.583 734 R HA 0.279 -4.944 4.340 -15.939 0.000 0.274 734 R C 1.483 177.927 176.300 0.241 0.000 0.998 734 R CA 1.053 57.332 56.100 0.298 0.000 1.081 734 R CB -0.046 30.348 30.300 0.156 0.000 0.940 734 R HN 0.691 nan 8.270 nan 0.000 0.413 735 G N 2.771 111.737 108.800 0.276 0.000 2.166 735 G HA2 -0.343 -5.946 3.960 -15.939 0.000 0.260 735 G HA3 -0.343 -5.946 3.960 -15.939 0.000 0.260 735 G C 0.122 174.996 174.900 -0.043 0.000 0.986 735 G CA 0.237 45.416 45.100 0.130 0.000 0.683 735 G HN 0.780 nan 8.290 nan 0.000 0.527 736 F N -0.086 119.544 119.950 -0.534 0.000 2.576 736 F HA -0.250 -5.280 4.527 -15.929 0.000 0.316 736 F C 1.448 177.107 175.800 -0.235 0.000 1.063 736 F CA 1.090 58.611 58.000 -0.799 0.000 1.093 736 F CB -1.474 36.780 39.000 -1.242 0.000 1.399 736 F HN 0.962 nan 8.300 nan 0.000 0.819 737 S N 1.317 116.965 115.700 -0.086 0.000 2.561 737 S HA 0.603 -4.490 4.470 -15.939 0.000 0.225 737 S C 0.768 175.285 174.600 -0.138 0.000 0.977 737 S CA 0.396 58.577 58.200 -0.031 0.000 0.926 737 S CB 0.247 63.517 63.200 0.115 0.000 0.769 737 S HN 1.680 nan 8.310 nan 0.000 0.533 738 A N 1.626 124.219 122.820 -0.379 0.000 2.547 738 A HA 0.674 -4.569 4.320 -15.939 0.000 0.297 738 A C -3.223 173.852 177.584 -0.847 0.000 1.056 738 A CA -1.711 50.063 52.037 -0.439 0.000 0.688 738 A CB 1.151 20.171 19.000 0.033 0.000 1.282 738 A HN 0.124 nan 8.150 nan 0.000 0.400 739 P HA 0.365 nan 4.420 nan 0.000 0.247 739 P C -0.404 176.875 177.300 -0.035 0.000 1.756 739 P CA 0.190 63.119 63.100 -0.285 0.000 1.117 739 P CB -0.049 31.577 31.700 -0.123 0.000 1.869 740 V N 1.091 120.972 119.914 -0.055 0.000 3.114 740 V HA 0.515 -4.928 4.120 -15.939 0.000 0.308 740 V C -1.012 175.084 176.094 0.004 0.000 1.168 740 V CA -1.455 60.770 62.300 -0.125 0.000 1.015 740 V CB 1.478 33.202 31.823 -0.165 0.000 1.050 740 V HN 0.050 nan 8.190 nan 0.000 0.433 741 Y N 2.220 122.474 120.300 -0.077 0.000 2.480 741 Y HA 0.557 -4.455 4.550 -15.935 0.000 0.341 741 Y C 0.550 176.563 175.900 0.189 0.000 1.031 741 Y CA -0.115 58.049 58.100 0.107 0.000 1.295 741 Y CB 0.516 38.883 38.460 -0.156 0.000 1.162 741 Y HN 0.472 nan 8.280 nan 0.000 0.523 742 I N 4.366 125.209 120.570 0.456 0.000 2.325 742 I HA 0.194 -5.199 4.170 -15.939 0.000 0.291 742 I C -0.294 176.111 176.117 0.481 0.000 1.019 742 I CA -0.260 61.313 61.300 0.454 0.000 1.302 742 I CB 0.781 39.064 38.000 0.471 0.000 1.401 742 I HN 0.535 nan 8.210 nan 0.000 0.485 743 E N 4.807 125.305 120.200 0.497 0.000 2.267 743 E HA 0.050 -5.163 4.350 -15.939 0.000 0.241 743 E C -0.021 176.881 176.600 0.504 0.000 0.950 743 E CA -0.261 56.386 56.400 0.413 0.000 0.776 743 E CB 0.625 30.519 29.700 0.324 0.000 1.207 743 E HN 0.610 nan 8.360 nan 0.000 0.436 744 D N 2.392 123.044 120.400 0.420 0.000 2.312 744 D HA -0.208 -5.131 4.640 -15.939 0.000 0.211 744 D C 0.306 176.845 176.300 0.399 0.000 0.964 744 D CA 0.367 54.599 54.000 0.387 0.000 0.877 744 D CB 0.107 41.040 40.800 0.221 0.000 0.924 744 D HN 0.188 nan 8.370 nan 0.000 0.515 745 Q N -0.377 119.607 119.800 0.307 0.000 2.437 745 Q HA -0.196 -5.419 4.340 -15.939 0.000 0.274 745 Q C -0.327 175.843 176.000 0.284 0.000 1.165 745 Q CA 0.600 56.562 55.803 0.265 0.000 0.925 745 Q CB -2.310 26.577 28.738 0.248 0.000 1.327 745 Q HN 0.535 nan 8.270 nan 0.000 0.505 746 L N 0.617 121.962 121.223 0.203 0.000 2.379 746 L HA 0.363 -4.860 4.340 -15.939 0.000 0.269 746 L C 1.391 178.300 176.870 0.064 0.000 1.084 746 L CA -0.333 54.578 54.840 0.118 0.000 0.802 746 L CB 1.137 43.224 42.059 0.047 0.000 1.175 746 L HN 0.145 nan 8.230 nan 0.000 0.448 747 T N -3.218 111.359 114.554 0.039 0.000 2.813 747 T HA 0.048 -5.165 4.350 -15.939 0.000 0.297 747 T C 0.679 175.366 174.700 -0.021 0.000 1.036 747 T CA -0.709 61.399 62.100 0.013 0.000 1.044 747 T CB 0.924 69.800 68.868 0.014 0.000 0.993 747 T HN 0.493 nan 8.240 nan 0.000 0.535 748 D N 1.106 121.481 120.400 -0.042 0.000 2.178 748 D HA -0.016 -4.939 4.640 -15.939 0.000 0.201 748 D C 2.496 178.763 176.300 -0.056 0.000 0.980 748 D CA 1.733 55.685 54.000 -0.081 0.000 0.842 748 D CB -0.591 40.143 40.800 -0.110 0.000 0.948 748 D HN 0.921 nan 8.370 nan 0.000 0.472 749 E N 1.187 121.369 120.200 -0.030 0.000 2.077 749 E HA -0.218 -5.431 4.350 -15.939 0.000 0.193 749 E C 1.904 178.490 176.600 -0.022 0.000 0.989 749 E CA 1.394 57.783 56.400 -0.019 0.000 0.800 749 E CB -0.800 28.894 29.700 -0.011 0.000 0.746 749 E HN 0.480 nan 8.360 nan 0.000 0.452 750 E N -0.361 119.822 120.200 -0.028 0.000 2.077 750 E HA -0.139 -5.352 4.350 -15.939 0.000 0.193 750 E C 2.525 179.101 176.600 -0.041 0.000 0.989 750 E CA 1.062 57.438 56.400 -0.040 0.000 0.800 750 E CB -0.115 29.555 29.700 -0.051 0.000 0.746 750 E HN 0.410 nan 8.360 nan 0.000 0.452 751 R N 0.392 120.864 120.500 -0.046 0.000 2.081 751 R HA -0.089 -5.312 4.340 -15.939 0.000 0.235 751 R C 2.383 178.659 176.300 -0.040 0.000 1.131 751 R CA 1.052 57.119 56.100 -0.056 0.000 0.960 751 R CB -0.292 29.953 30.300 -0.091 0.000 0.856 751 R HN 0.165 nan 8.270 nan 0.000 0.436 752 I N 0.673 121.225 120.570 -0.029 0.000 2.264 752 I HA -0.299 -5.692 4.170 -15.939 0.000 0.248 752 I C 2.324 178.415 176.117 -0.043 0.000 1.111 752 I CA 1.174 62.472 61.300 -0.003 0.000 1.382 752 I CB -0.134 37.875 38.000 0.015 0.000 1.060 752 I HN 0.177 nan 8.210 nan 0.000 0.418 753 L N 0.023 121.235 121.223 -0.018 0.000 2.109 753 L HA -0.166 -5.390 4.340 -15.939 0.000 0.207 753 L C 2.396 179.287 176.870 0.034 0.000 1.086 753 L CA 1.216 56.078 54.840 0.037 0.000 0.760 753 L CB -0.058 42.047 42.059 0.076 0.000 0.910 753 L HN 0.181 nan 8.230 nan 0.000 0.437 754 L N -1.080 120.144 121.223 0.002 0.000 2.017 754 L HA -0.246 -5.469 4.340 -15.939 0.000 0.208 754 L C 2.496 179.365 176.870 -0.002 0.000 1.073 754 L CA 0.828 55.669 54.840 0.002 0.000 0.745 754 L CB -0.626 41.421 42.059 -0.019 0.000 0.894 754 L HN 0.310 nan 8.230 nan 0.000 0.432 755 L N 0.177 121.398 121.223 -0.004 0.000 2.043 755 L HA -0.254 -5.478 4.340 -15.939 0.000 0.212 755 L C 2.419 179.287 176.870 -0.004 0.000 1.075 755 L CA 1.944 56.812 54.840 0.047 0.000 0.752 755 L CB -0.502 41.597 42.059 0.068 0.000 0.891 755 L HN 0.111 nan 8.230 nan 0.000 0.432 756 K N -2.243 118.036 120.400 -0.201 0.000 2.076 756 K HA -0.073 -5.316 4.320 -15.939 0.000 0.204 756 K C 1.598 177.900 176.600 -0.498 0.000 1.051 756 K CA 1.635 57.623 56.287 -0.498 0.000 0.949 756 K CB -0.087 31.723 32.500 -1.150 0.000 0.726 756 K HN 0.327 nan 8.250 nan 0.000 0.443 757 Y N 0.027 120.342 120.300 0.026 0.000 2.467 757 Y HA 0.172 -4.842 4.550 -15.939 0.000 0.259 757 Y C 0.460 176.351 175.900 -0.014 0.000 1.084 757 Y CA -1.110 56.994 58.100 0.006 0.000 1.275 757 Y CB 0.080 38.526 38.460 -0.023 0.000 1.208 757 Y HN -0.064 nan 8.280 nan 0.000 0.511 758 D N 0.392 120.846 120.400 0.091 0.000 2.400 758 D HA -0.038 -4.961 4.640 -15.939 0.000 0.238 758 D C 1.387 177.696 176.300 0.014 0.000 1.157 758 D CA 0.834 54.858 54.000 0.039 0.000 0.889 758 D CB 1.323 42.132 40.800 0.015 0.000 1.199 758 D HN 0.208 nan 8.370 nan 0.000 0.436 759 S N 1.302 117.005 115.700 0.005 0.000 2.470 759 S HA -0.069 -5.162 4.470 -15.939 0.000 0.225 759 S C 0.587 175.175 174.600 -0.020 0.000 1.006 759 S CA -0.014 58.181 58.200 -0.009 0.000 0.934 759 S CB 0.103 63.302 63.200 -0.002 0.000 0.778 759 S HN 0.516 nan 8.310 nan 0.000 0.517 760 D N 0.911 121.312 120.400 0.003 0.000 2.280 760 D HA 0.662 -4.261 4.640 -15.939 0.000 0.243 760 D C 1.031 177.342 176.300 0.020 0.000 1.129 760 D CA 0.208 54.228 54.000 0.034 0.000 0.848 760 D CB 1.346 42.203 40.800 0.095 0.000 1.107 760 D HN 0.124 nan 8.370 nan 0.000 0.471 761 A N 3.954 126.768 122.820 -0.009 0.000 1.883 761 A HA -0.202 -5.445 4.320 -15.939 0.000 0.217 761 A C 1.884 179.546 177.584 0.132 0.000 1.186 761 A CA 1.188 53.197 52.037 -0.048 0.000 0.624 761 A CB -0.894 18.067 19.000 -0.065 0.000 0.822 761 A HN 0.753 nan 8.150 nan 0.000 0.444 762 F N 0.735 120.729 119.950 0.073 0.000 2.134 762 F HA -0.131 -5.162 4.527 -15.930 0.000 0.299 762 F C 2.137 178.087 175.800 0.249 0.000 1.097 762 F CA 1.932 60.021 58.000 0.149 0.000 1.264 762 F CB -0.372 38.712 39.000 0.140 0.000 1.001 762 F HN 0.015 nan 8.300 nan 0.000 0.479 763 V N 1.115 120.996 119.914 -0.055 0.000 2.427 763 V HA -0.248 -5.691 4.120 -15.939 0.000 0.248 763 V C 2.491 178.511 176.094 -0.123 0.000 1.051 763 V CA 2.052 64.254 62.300 -0.163 0.000 1.048 763 V CB -0.716 31.139 31.823 0.053 0.000 0.666 763 V HN 0.279 nan 8.190 nan 0.000 0.456 764 R N -0.667 119.841 120.500 0.014 0.000 2.080 764 R HA -0.223 -5.447 4.340 -15.939 0.000 0.236 764 R C 2.386 178.803 176.300 0.195 0.000 1.137 764 R CA 2.313 58.493 56.100 0.133 0.000 0.943 764 R CB -0.703 29.713 30.300 0.194 0.000 0.846 764 R HN 0.669 nan 8.270 nan 0.000 0.431 765 Y N 1.784 122.153 120.300 0.114 0.000 2.165 765 Y HA -0.266 -5.280 4.550 -15.939 0.000 0.286 765 Y C 2.067 177.829 175.900 -0.229 0.000 1.155 765 Y CA 1.861 59.941 58.100 -0.033 0.000 1.164 765 Y CB -0.325 38.119 38.460 -0.026 0.000 0.978 765 Y HN 0.014 nan 8.280 nan 0.000 0.513 766 N N -0.175 118.240 118.700 -0.475 0.000 2.188 766 N HA -0.157 -4.981 4.740 -15.939 0.000 0.184 766 N C 1.863 177.187 175.510 -0.311 0.000 1.018 766 N CA 1.616 54.325 53.050 -0.568 0.000 0.858 766 N CB -0.358 37.647 38.487 -0.803 0.000 0.989 766 N HN 0.387 nan 8.380 nan 0.000 0.426 767 S N -0.632 114.940 115.700 -0.213 0.000 2.356 767 S HA -0.176 -5.269 4.470 -15.939 0.000 0.223 767 S C 2.269 176.769 174.600 -0.166 0.000 1.032 767 S CA 1.156 59.275 58.200 -0.135 0.000 1.005 767 S CB -0.860 62.295 63.200 -0.075 0.000 0.867 767 S HN 0.628 nan 8.310 nan 0.000 0.449 768 C N 1.780 121.000 119.300 -0.133 0.000 2.393 768 C HA -0.151 -5.254 4.460 -15.939 0.000 0.276 768 C C 2.870 177.743 174.990 -0.195 0.000 1.215 768 C CA 1.794 60.738 59.018 -0.124 0.000 1.743 768 C CB -1.724 26.010 27.740 -0.010 0.000 2.044 768 C HN 0.614 nan 8.230 nan 0.000 0.464 769 T N 1.491 115.902 114.554 -0.238 0.000 2.665 769 T HA -0.174 -5.387 4.350 -15.939 0.000 0.268 769 T C 1.532 176.160 174.700 -0.121 0.000 1.035 769 T CA 2.103 64.080 62.100 -0.205 0.000 1.151 769 T CB -0.499 68.090 68.868 -0.466 0.000 0.862 769 T HN 0.590 nan 8.240 nan 0.000 0.438 770 N N 0.974 119.579 118.700 -0.158 0.000 2.120 770 N HA 0.042 -4.782 4.740 -15.939 0.000 0.188 770 N C 1.900 177.294 175.510 -0.193 0.000 1.024 770 N CA 0.828 53.800 53.050 -0.130 0.000 0.852 770 N CB -0.486 37.951 38.487 -0.083 0.000 1.003 770 N HN 0.396 nan 8.380 nan 0.000 0.424 771 I N 0.126 120.497 120.570 -0.332 0.000 2.163 771 I HA -0.311 -5.705 4.170 -15.939 0.000 0.243 771 I C 1.859 177.687 176.117 -0.482 0.000 1.085 771 I CA 1.183 62.153 61.300 -0.551 0.000 1.347 771 I CB -0.348 37.013 38.000 -1.065 0.000 1.044 771 I HN 0.038 nan 8.210 nan 0.000 0.408 772 Y N -0.028 120.040 120.300 -0.386 0.000 2.128 772 Y HA -0.284 -5.297 4.550 -15.940 0.000 0.284 772 Y C 2.645 178.458 175.900 -0.144 0.000 1.154 772 Y CA 1.330 59.303 58.100 -0.213 0.000 1.149 772 Y CB -0.541 37.842 38.460 -0.128 0.000 0.976 772 Y HN 0.096 nan 8.280 nan 0.000 0.505 773 M N 0.028 119.638 119.600 0.018 0.000 2.080 773 M HA -0.247 -5.330 4.480 -15.939 0.000 0.260 773 M C 2.220 178.481 176.300 -0.065 0.000 1.068 773 M CA 1.597 56.861 55.300 -0.059 0.000 1.109 773 M CB -1.169 31.315 32.600 -0.193 0.000 1.342 773 M HN 0.216 nan 8.290 nan 0.000 0.405 774 K N -0.122 120.228 120.400 -0.082 0.000 2.063 774 K HA -0.262 -5.505 4.320 -15.939 0.000 0.208 774 K C 2.112 178.705 176.600 -0.011 0.000 1.048 774 K CA 1.794 58.047 56.287 -0.056 0.000 0.928 774 K CB -0.023 32.429 32.500 -0.079 0.000 0.713 774 K HN 0.152 nan 8.250 nan 0.000 0.442 775 Q N 1.025 120.821 119.800 -0.007 0.000 2.050 775 Q HA -0.092 -5.316 4.340 -15.939 0.000 0.202 775 Q C 1.873 177.946 176.000 0.121 0.000 0.980 775 Q CA 1.753 57.591 55.803 0.059 0.000 0.840 775 Q CB -0.162 28.616 28.738 0.067 0.000 0.898 775 Q HN 0.420 nan 8.270 nan 0.000 0.424 776 I N -0.109 120.529 120.570 0.114 0.000 2.163 776 I HA -0.323 -5.717 4.170 -15.939 0.000 0.243 776 I C 2.120 178.334 176.117 0.162 0.000 1.085 776 I CA 1.177 62.562 61.300 0.142 0.000 1.347 776 I CB -0.347 37.706 38.000 0.087 0.000 1.044 776 I HN 0.252 nan 8.210 nan 0.000 0.408 777 L N -0.540 120.738 121.223 0.092 0.000 2.046 777 L HA -0.255 -5.478 4.340 -15.939 0.000 0.208 777 L C 2.638 179.599 176.870 0.150 0.000 1.077 777 L CA 1.405 56.304 54.840 0.098 0.000 0.747 777 L CB -0.441 41.638 42.059 0.033 0.000 0.896 777 L HN 0.365 nan 8.230 nan 0.000 0.432 778 M N 0.122 119.789 119.600 0.113 0.000 2.067 778 M HA -0.237 -5.321 4.480 -15.939 0.000 0.260 778 M C 1.924 178.290 176.300 0.111 0.000 1.069 778 M CA 2.111 57.468 55.300 0.095 0.000 1.117 778 M CB -0.219 32.421 32.600 0.068 0.000 1.334 778 M HN 0.287 nan 8.290 nan 0.000 0.407 779 N N -1.182 117.610 118.700 0.153 0.000 2.166 779 N HA -0.220 -5.044 4.740 -15.939 0.000 0.186 779 N C 1.634 177.291 175.510 0.245 0.000 1.019 779 N CA 1.320 54.459 53.050 0.148 0.000 0.856 779 N CB -0.263 38.391 38.487 0.278 0.000 0.993 779 N HN 0.355 nan 8.380 nan 0.000 0.426 780 Y N 1.997 122.410 120.300 0.188 0.000 2.128 780 Y HA -0.269 -5.281 4.550 -15.938 0.000 0.284 780 Y C 2.249 178.223 175.900 0.122 0.000 1.154 780 Y CA 1.691 59.901 58.100 0.183 0.000 1.149 780 Y CB -0.373 38.156 38.460 0.115 0.000 0.976 780 Y HN 0.033 nan 8.280 nan 0.000 0.505 781 N N 0.110 118.936 118.700 0.210 0.000 2.166 781 N HA -0.173 -4.996 4.740 -15.939 0.000 0.186 781 N C 1.593 177.073 175.510 -0.051 0.000 1.019 781 N CA 1.841 54.939 53.050 0.079 0.000 0.856 781 N CB -0.156 38.399 38.487 0.113 0.000 0.993 781 N HN 0.559 nan 8.380 nan 0.000 0.426 782 E N -1.079 119.083 120.200 -0.064 0.000 2.047 782 E HA -0.129 -5.342 4.350 -15.939 0.000 0.191 782 E C 1.579 177.999 176.600 -0.300 0.000 0.987 782 E CA 0.963 57.266 56.400 -0.161 0.000 0.799 782 E CB -0.205 29.390 29.700 -0.174 0.000 0.752 782 E HN 0.328 nan 8.360 nan 0.000 0.449 783 F N 0.742 120.555 119.950 -0.228 0.000 2.126 783 F HA -0.202 -5.238 4.527 -15.939 0.000 0.299 783 F C 2.253 177.805 175.800 -0.415 0.000 1.096 783 F CA 0.952 58.749 58.000 -0.338 0.000 1.255 783 F CB -0.559 38.312 39.000 -0.215 0.000 0.997 783 F HN 0.060 nan 8.300 nan 0.000 0.479 784 L N 0.312 121.401 121.223 -0.223 0.000 2.056 784 L HA -0.181 -5.404 4.340 -15.939 0.000 0.207 784 L C 2.339 179.089 176.870 -0.201 0.000 1.078 784 L CA 1.849 56.527 54.840 -0.271 0.000 0.749 784 L CB -0.789 41.054 42.059 -0.360 0.000 0.901 784 L HN 0.045 nan 8.230 nan 0.000 0.433 785 K N -0.779 119.505 120.400 -0.193 0.000 2.032 785 K HA -0.185 -5.428 4.320 -15.939 0.000 0.209 785 K C 2.031 178.494 176.600 -0.228 0.000 1.048 785 K CA 1.404 57.590 56.287 -0.167 0.000 0.927 785 K CB -0.289 32.128 32.500 -0.138 0.000 0.712 785 K HN 0.464 nan 8.250 nan 0.000 0.441 786 A N 1.497 124.077 122.820 -0.399 0.000 1.908 786 A HA -0.233 -5.477 4.320 -15.939 0.000 0.218 786 A C 2.051 179.437 177.584 -0.329 0.000 1.181 786 A CA 1.920 53.620 52.037 -0.560 0.000 0.627 786 A CB -0.517 17.599 19.000 -1.474 0.000 0.818 786 A HN 0.376 nan 8.150 nan 0.000 0.445 787 K N -0.646 119.598 120.400 -0.261 0.000 2.025 787 K HA -0.182 -5.425 4.320 -15.939 0.000 0.207 787 K C 1.737 178.275 176.600 -0.105 0.000 1.049 787 K CA 1.575 57.775 56.287 -0.146 0.000 0.933 787 K CB -0.227 32.198 32.500 -0.125 0.000 0.714 787 K HN 0.406 nan 8.250 nan 0.000 0.438 788 N N 1.245 119.880 118.700 -0.108 0.000 2.142 788 N HA -0.132 -4.955 4.740 -15.939 0.000 0.186 788 N C 1.045 176.518 175.510 -0.062 0.000 1.023 788 N CA 1.292 54.299 53.050 -0.072 0.000 0.852 788 N CB -0.024 38.423 38.487 -0.066 0.000 0.998 788 N HN 0.364 nan 8.380 nan 0.000 0.424 789 E N 0.520 120.673 120.200 -0.079 0.000 2.489 789 E HA 0.095 -5.118 4.350 -15.939 0.000 0.193 789 E C -0.332 176.240 176.600 -0.047 0.000 1.057 789 E CA -0.050 56.315 56.400 -0.058 0.000 0.866 789 E CB 0.145 29.808 29.700 -0.062 0.000 0.916 789 E HN 0.198 nan 8.360 nan 0.000 0.500 790 K N 0.897 121.264 120.400 -0.055 0.000 3.096 790 K HA -0.191 -5.434 4.320 -15.939 0.000 0.266 790 K C -0.546 176.048 176.600 -0.011 0.000 1.043 790 K CA 0.157 56.426 56.287 -0.030 0.000 0.758 790 K CB -1.633 30.858 32.500 -0.015 0.000 1.260 790 K HN 0.249 nan 8.250 nan 0.000 0.481 791 L N 1.022 122.231 121.223 -0.024 0.000 2.416 791 L HA 0.026 -5.197 4.340 -15.939 0.000 0.272 791 L C 1.799 178.733 176.870 0.107 0.000 1.161 791 L CA -0.153 54.707 54.840 0.033 0.000 0.845 791 L CB 0.569 42.643 42.059 0.024 0.000 1.119 791 L HN 0.151 nan 8.230 nan 0.000 0.464 792 E N 1.134 121.393 120.200 0.098 0.000 2.299 792 E HA -0.008 -5.221 4.350 -15.939 0.000 0.193 792 E C 0.323 176.995 176.600 0.121 0.000 0.998 792 E CA 0.389 56.845 56.400 0.095 0.000 0.851 792 E CB 0.381 30.113 29.700 0.053 0.000 0.795 792 E HN 0.689 nan 8.360 nan 0.000 0.492 793 S N -0.433 115.358 115.700 0.152 0.000 2.537 793 S HA 0.681 -4.413 4.470 -15.939 0.000 0.270 793 S C -0.671 174.060 174.600 0.217 0.000 1.142 793 S CA -1.035 57.225 58.200 0.100 0.000 0.870 793 S CB 1.503 64.711 63.200 0.012 0.000 1.112 793 S HN 0.113 nan 8.310 nan 0.000 0.466 794 F N -1.155 118.759 119.950 -0.061 0.000 2.807 794 F HA 0.748 -4.288 4.527 -15.939 0.000 0.316 794 F C -1.465 174.262 175.800 -0.122 0.000 1.162 794 F CA -1.086 56.859 58.000 -0.091 0.000 0.910 794 F CB 0.851 39.786 39.000 -0.110 0.000 1.314 794 F HN 0.641 nan 8.300 nan 0.000 0.454 795 Q N 1.195 120.999 119.800 0.006 0.000 2.301 795 Q HA 0.804 -4.419 4.340 -15.939 0.000 0.267 795 Q C -1.540 174.389 176.000 -0.118 0.000 1.035 795 Q CA -0.973 54.755 55.803 -0.125 0.000 0.856 795 Q CB 2.865 31.565 28.738 -0.063 0.000 1.337 795 Q HN 0.661 nan 8.270 nan 0.000 0.450 796 L N 0.725 121.804 121.223 -0.239 0.000 2.362 796 L HA 0.496 -4.727 4.340 -15.939 0.000 0.271 796 L C -0.492 176.315 176.870 -0.104 0.000 1.002 796 L CA -0.873 53.782 54.840 -0.308 0.000 0.818 796 L CB 2.240 43.830 42.059 -0.781 0.000 1.298 796 L HN 0.573 nan 8.230 nan 0.000 0.420 797 T N 3.167 117.705 114.554 -0.027 0.000 2.779 797 T HA 0.216 -4.997 4.350 -15.939 0.000 0.296 797 T C -2.353 172.464 174.700 0.195 0.000 0.938 797 T CA -0.885 61.255 62.100 0.067 0.000 1.119 797 T CB 0.597 69.498 68.868 0.055 0.000 0.891 797 T HN 0.250 nan 8.240 nan 0.000 0.526 798 P HA 0.150 nan 4.420 nan 0.000 0.272 798 P C -0.261 177.117 177.300 0.129 0.000 1.230 798 P CA -0.607 62.607 63.100 0.191 0.000 0.788 798 P CB 0.408 32.175 31.700 0.111 0.000 0.949 799 V N 2.499 122.463 119.914 0.083 0.000 2.673 799 V HA -0.051 -5.494 4.120 -15.939 0.000 0.303 799 V C 1.172 177.318 176.094 0.088 0.000 1.046 799 V CA -0.066 62.288 62.300 0.090 0.000 1.126 799 V CB -0.357 31.520 31.823 0.090 0.000 0.934 799 V HN 0.642 nan 8.190 nan 0.000 0.487 800 N N 3.435 122.191 118.700 0.092 0.000 2.365 800 N HA -0.029 -4.852 4.740 -15.939 0.000 0.265 800 N C 0.980 176.555 175.510 0.107 0.000 1.288 800 N CA 0.674 53.774 53.050 0.082 0.000 0.869 800 N CB 1.423 39.939 38.487 0.050 0.000 1.071 800 N HN 0.812 nan 8.380 nan 0.000 0.480 801 A N 4.439 127.294 122.820 0.058 0.000 1.930 801 A HA -0.171 -5.414 4.320 -15.939 0.000 0.217 801 A C 1.918 179.517 177.584 0.026 0.000 1.175 801 A CA 1.232 53.288 52.037 0.032 0.000 0.627 801 A CB -0.253 18.758 19.000 0.017 0.000 0.815 801 A HN 0.766 nan 8.150 nan 0.000 0.443 802 Q N -1.417 118.406 119.800 0.038 0.000 2.167 802 Q HA -0.062 -5.286 4.340 -15.939 0.000 0.202 802 Q C 1.695 177.728 176.000 0.055 0.000 0.970 802 Q CA 1.366 57.185 55.803 0.027 0.000 0.855 802 Q CB -0.534 28.217 28.738 0.022 0.000 0.911 802 Q HN 0.714 nan 8.270 nan 0.000 0.438 803 F N 0.697 120.600 119.950 -0.079 0.000 2.069 803 F HA -0.180 -5.216 4.527 -15.939 0.000 0.298 803 F C 1.666 177.412 175.800 -0.090 0.000 1.113 803 F CA 1.278 59.212 58.000 -0.110 0.000 1.214 803 F CB -0.406 38.504 39.000 -0.150 0.000 0.978 803 F HN 0.017 nan 8.300 nan 0.000 0.474 804 I N 0.232 120.677 120.570 -0.209 0.000 2.208 804 I HA -0.327 -5.720 4.170 -15.939 0.000 0.245 804 I C 2.107 178.110 176.117 -0.191 0.000 1.097 804 I CA 1.644 62.778 61.300 -0.277 0.000 1.363 804 I CB -0.680 37.245 38.000 -0.124 0.000 1.051 804 I HN 0.097 nan 8.210 nan 0.000 0.413 805 D N 0.982 121.320 120.400 -0.103 0.000 2.149 805 D HA -0.175 -5.098 4.640 -15.939 0.000 0.198 805 D C 2.226 178.496 176.300 -0.051 0.000 0.990 805 D CA 1.633 55.598 54.000 -0.057 0.000 0.839 805 D CB -0.105 40.674 40.800 -0.035 0.000 0.948 805 D HN 0.388 nan 8.370 nan 0.000 0.460 806 A N 0.381 123.143 122.820 -0.098 0.000 1.898 806 A HA -0.095 -5.338 4.320 -15.939 0.000 0.216 806 A C 2.379 179.937 177.584 -0.043 0.000 1.181 806 A CA 0.699 52.688 52.037 -0.079 0.000 0.620 806 A CB -0.602 18.350 19.000 -0.080 0.000 0.819 806 A HN 0.193 nan 8.150 nan 0.000 0.442 807 I N -0.292 120.155 120.570 -0.205 0.000 2.163 807 I HA -0.307 -5.700 4.170 -15.939 0.000 0.243 807 I C 2.542 178.645 176.117 -0.024 0.000 1.085 807 I CA 2.000 63.201 61.300 -0.165 0.000 1.347 807 I CB -0.258 37.555 38.000 -0.312 0.000 1.044 807 I HN 0.377 nan 8.210 nan 0.000 0.408 808 K N 0.488 120.874 120.400 -0.023 0.000 2.032 808 K HA -0.281 -5.524 4.320 -15.939 0.000 0.209 808 K C 2.412 179.051 176.600 0.064 0.000 1.048 808 K CA 1.804 58.101 56.287 0.016 0.000 0.927 808 K CB -0.393 32.102 32.500 -0.007 0.000 0.712 808 K HN 0.245 nan 8.250 nan 0.000 0.441 809 Y N 1.545 121.820 120.300 -0.041 0.000 2.114 809 Y HA -0.269 -5.283 4.550 -15.939 0.000 0.282 809 Y C 1.738 177.632 175.900 -0.010 0.000 1.165 809 Y CA 1.906 59.990 58.100 -0.027 0.000 1.148 809 Y CB -0.203 38.228 38.460 -0.047 0.000 0.972 809 Y HN 0.033 nan 8.280 nan 0.000 0.504 810 L N -0.599 120.670 121.223 0.075 0.000 2.072 810 L HA -0.212 -5.435 4.340 -15.939 0.000 0.205 810 L C 2.478 179.349 176.870 0.001 0.000 1.079 810 L CA 1.115 55.970 54.840 0.025 0.000 0.752 810 L CB -0.693 41.464 42.059 0.163 0.000 0.906 810 L HN 0.304 nan 8.230 nan 0.000 0.436 811 L N -0.292 120.946 121.223 0.026 0.000 2.079 811 L HA -0.212 -5.435 4.340 -15.939 0.000 0.210 811 L C 2.183 179.052 176.870 -0.002 0.000 1.081 811 L CA 1.359 56.218 54.840 0.033 0.000 0.752 811 L CB -0.417 41.688 42.059 0.076 0.000 0.896 811 L HN 0.328 nan 8.230 nan 0.000 0.433 812 E N -0.853 119.324 120.200 -0.038 0.000 2.478 812 E HA -0.081 -5.294 4.350 -15.939 0.000 0.194 812 E C 0.157 176.694 176.600 -0.105 0.000 1.045 812 E CA -0.166 56.200 56.400 -0.057 0.000 0.868 812 E CB 0.124 29.797 29.700 -0.045 0.000 0.885 812 E HN 0.239 nan 8.360 nan 0.000 0.505 813 D N 1.259 121.566 120.400 -0.155 0.000 2.344 813 D HA 0.018 -4.905 4.640 -15.939 0.000 0.253 813 D C -1.826 174.424 176.300 -0.083 0.000 1.255 813 D CA -2.286 51.610 54.000 -0.173 0.000 0.894 813 D CB 1.225 41.873 40.800 -0.253 0.000 1.067 813 D HN -0.131 nan 8.370 nan 0.000 0.492 814 P HA -0.040 nan 4.420 nan 0.000 0.226 814 P C 1.000 178.283 177.300 -0.029 0.000 1.153 814 P CA 1.253 64.330 63.100 -0.038 0.000 0.777 814 P CB 0.029 31.709 31.700 -0.034 0.000 0.794 815 H N -1.559 117.489 119.070 -0.036 0.000 2.539 815 H HA 0.636 -4.371 4.556 -15.939 0.000 0.269 815 H C 1.084 176.400 175.328 -0.020 0.000 0.980 815 H CA 0.216 56.249 56.048 -0.025 0.000 1.152 815 H CB -0.450 29.297 29.762 -0.025 0.000 1.407 815 H HN 0.239 nan 8.280 nan 0.000 0.564 816 A N 0.507 123.317 122.820 -0.017 0.000 2.302 816 A HA 0.437 -4.807 4.320 -15.939 0.000 0.285 816 A C -0.241 177.370 177.584 0.046 0.000 1.105 816 A CA -0.112 51.931 52.037 0.010 0.000 0.816 816 A CB -0.015 19.006 19.000 0.035 0.000 1.067 816 A HN 0.598 nan 8.150 nan 0.000 0.489 817 D N 1.258 121.702 120.400 0.073 0.000 2.383 817 D HA 0.420 -4.503 4.640 -15.939 0.000 0.252 817 D C 1.145 177.536 176.300 0.152 0.000 1.166 817 D CA 0.699 54.760 54.000 0.102 0.000 0.879 817 D CB 1.044 41.909 40.800 0.107 0.000 1.164 817 D HN 0.531 nan 8.370 nan 0.000 0.462 818 A N 3.379 126.253 122.820 0.090 0.000 1.933 818 A HA -0.027 -5.270 4.320 -15.939 0.000 0.218 818 A C 2.087 179.714 177.584 0.072 0.000 1.175 818 A CA 1.607 53.682 52.037 0.063 0.000 0.628 818 A CB -0.973 18.039 19.000 0.020 0.000 0.814 818 A HN 0.700 nan 8.150 nan 0.000 0.444 819 G N -1.216 107.645 108.800 0.100 0.000 2.418 819 G HA2 -0.229 -5.832 3.960 -15.939 0.000 0.217 819 G HA3 -0.229 -5.832 3.960 -15.939 0.000 0.217 819 G C 1.457 176.483 174.900 0.209 0.000 1.158 819 G CA 1.134 46.297 45.100 0.105 0.000 0.771 819 G HN 0.493 nan 8.290 nan 0.000 0.545 820 F N 1.630 121.674 119.950 0.157 0.000 2.134 820 F HA 0.011 -5.026 4.527 -15.940 0.000 0.299 820 F C 2.647 178.564 175.800 0.196 0.000 1.097 820 F CA 1.743 59.880 58.000 0.228 0.000 1.264 820 F CB -0.080 39.000 39.000 0.132 0.000 1.001 820 F HN 0.046 nan 8.300 nan 0.000 0.479 821 K N 0.083 120.556 120.400 0.121 0.000 2.103 821 K HA -0.176 -5.420 4.320 -15.939 0.000 0.207 821 K C 2.315 178.871 176.600 -0.073 0.000 1.048 821 K CA 1.721 58.006 56.287 -0.003 0.000 0.930 821 K CB -0.438 32.092 32.500 0.050 0.000 0.716 821 K HN 0.430 nan 8.250 nan 0.000 0.444 822 S N 0.016 115.667 115.700 -0.082 0.000 2.402 822 S HA -0.149 -5.242 4.470 -15.939 0.000 0.229 822 S C 1.887 176.382 174.600 -0.176 0.000 1.021 822 S CA 0.738 58.843 58.200 -0.158 0.000 0.974 822 S CB -0.490 62.587 63.200 -0.205 0.000 0.800 822 S HN 0.233 nan 8.310 nan 0.000 0.484 823 Y N 2.679 122.933 120.300 -0.078 0.000 2.200 823 Y HA 0.076 -4.937 4.550 -15.937 0.000 0.290 823 Y C 2.400 178.259 175.900 -0.069 0.000 1.137 823 Y CA 0.921 58.996 58.100 -0.043 0.000 1.163 823 Y CB -0.650 37.829 38.460 0.032 0.000 0.988 823 Y HN 0.448 nan 8.280 nan 0.000 0.518 824 I N -1.635 118.913 120.570 -0.036 0.000 2.394 824 I HA -0.102 -5.496 4.170 -15.939 0.000 0.251 824 I C 1.783 177.989 176.117 0.149 0.000 1.136 824 I CA 1.502 62.797 61.300 -0.009 0.000 1.425 824 I CB -0.745 37.139 38.000 -0.193 0.000 1.079 824 I HN 0.030 nan 8.210 nan 0.000 0.425 825 V N -1.249 118.702 119.914 0.062 0.000 3.573 825 V HA 0.243 -5.200 4.120 -15.939 0.000 0.270 825 V C 0.732 176.900 176.094 0.123 0.000 1.221 825 V CA -0.016 62.337 62.300 0.087 0.000 1.163 825 V CB -1.230 30.533 31.823 -0.100 0.000 0.847 825 V HN 0.371 nan 8.190 nan 0.000 0.468 826 S N 1.643 117.386 115.700 0.071 0.000 2.451 826 S HA 0.728 -4.365 4.470 -15.939 0.000 0.301 826 S C -0.471 173.991 174.600 -0.230 0.000 1.116 826 S CA -0.483 57.743 58.200 0.043 0.000 1.093 826 S CB 1.820 65.037 63.200 0.027 0.000 1.017 826 S HN 0.255 nan 8.310 nan 0.000 0.482 827 L N 3.533 124.501 121.223 -0.425 0.000 2.473 827 L HA 0.301 -4.923 4.340 -15.939 0.000 0.268 827 L C -1.972 174.723 176.870 -0.292 0.000 1.215 827 L CA -1.227 53.172 54.840 -0.736 0.000 0.823 827 L CB -0.824 40.826 42.059 -0.682 0.000 1.099 827 L HN 0.396 nan 8.230 nan 0.000 0.483 828 P HA 0.012 nan 4.420 nan 0.000 0.268 828 P C -0.856 176.464 177.300 0.034 0.000 1.208 828 P CA -0.329 62.727 63.100 -0.073 0.000 0.777 828 P CB 0.253 31.970 31.700 0.029 0.000 0.875 829 Q N 1.944 121.787 119.800 0.072 0.000 2.333 829 Q HA -0.067 -5.290 4.340 -15.939 0.000 0.299 829 Q C 0.899 176.995 176.000 0.160 0.000 1.067 829 Q CA 0.626 56.496 55.803 0.111 0.000 0.943 829 Q CB 0.234 29.039 28.738 0.112 0.000 1.233 829 Q HN 0.429 nan 8.270 nan 0.000 0.401 830 D N 2.002 122.473 120.400 0.118 0.000 2.133 830 D HA -0.178 -5.101 4.640 -15.939 0.000 0.195 830 D C 1.554 177.929 176.300 0.124 0.000 0.997 830 D CA 1.454 55.520 54.000 0.110 0.000 0.840 830 D CB 0.096 40.948 40.800 0.087 0.000 0.947 830 D HN 0.435 nan 8.370 nan 0.000 0.452 831 R N -0.884 119.695 120.500 0.131 0.000 2.280 831 R HA -0.088 -5.312 4.340 -15.939 0.000 0.207 831 R C 1.965 178.377 176.300 0.187 0.000 1.043 831 R CA 0.325 56.503 56.100 0.130 0.000 1.006 831 R CB -0.117 30.247 30.300 0.108 0.000 0.885 831 R HN 0.309 nan 8.270 nan 0.000 0.467 832 Y N 0.975 121.344 120.300 0.114 0.000 2.231 832 Y HA -0.021 -5.035 4.550 -15.941 0.000 0.294 832 Y C 1.859 177.954 175.900 0.325 0.000 1.120 832 Y CA 1.028 59.249 58.100 0.202 0.000 1.141 832 Y CB -0.046 38.514 38.460 0.166 0.000 1.022 832 Y HN -0.156 nan 8.280 nan 0.000 0.523 833 I N 0.180 120.922 120.570 0.286 0.000 2.163 833 I HA -0.334 -5.727 4.170 -15.939 0.000 0.243 833 I C 2.463 178.656 176.117 0.126 0.000 1.085 833 I CA 1.846 63.274 61.300 0.214 0.000 1.347 833 I CB -0.459 37.621 38.000 0.133 0.000 1.044 833 I HN 0.290 nan 8.210 nan 0.000 0.408 834 I N 1.146 121.741 120.570 0.042 0.000 2.530 834 I HA -0.308 -5.701 4.170 -15.939 0.000 0.257 834 I C 1.986 178.037 176.117 -0.110 0.000 1.179 834 I CA 1.372 62.650 61.300 -0.038 0.000 1.440 834 I CB -0.306 37.679 38.000 -0.024 0.000 1.087 834 I HN 0.309 nan 8.210 nan 0.000 0.440 835 N N 0.269 118.854 118.700 -0.193 0.000 2.453 835 N HA -0.132 -4.955 4.740 -15.939 0.000 0.183 835 N C 0.912 176.012 175.510 -0.683 0.000 1.041 835 N CA 1.250 54.031 53.050 -0.449 0.000 0.900 835 N CB -0.082 38.074 38.487 -0.551 0.000 0.961 835 N HN 0.418 nan 8.380 nan 0.000 0.443 836 F N -0.316 119.529 119.950 -0.174 0.000 2.682 836 F HA 0.264 -4.772 4.527 -15.940 0.000 0.308 836 F C 0.281 175.982 175.800 -0.165 0.000 1.093 836 F CA -0.188 57.708 58.000 -0.173 0.000 1.244 836 F CB 0.686 39.588 39.000 -0.164 0.000 1.052 836 F HN -0.317 nan 8.300 nan 0.000 0.573 837 V N -0.218 119.653 119.914 -0.070 0.000 2.577 837 V HA 0.346 -5.097 4.120 -15.939 0.000 0.303 837 V C -0.080 175.941 176.094 -0.122 0.000 1.042 837 V CA -1.097 61.115 62.300 -0.146 0.000 0.872 837 V CB 1.685 33.301 31.823 -0.345 0.000 0.998 837 V HN -0.014 nan 8.190 nan 0.000 0.423 838 S N 4.044 119.697 115.700 -0.079 0.000 2.565 838 S HA 0.282 -4.812 4.470 -15.939 0.000 0.274 838 S C 0.672 175.259 174.600 -0.023 0.000 1.309 838 S CA -0.441 57.725 58.200 -0.057 0.000 1.043 838 S CB 0.220 63.398 63.200 -0.037 0.000 0.939 838 S HN 0.888 nan 8.310 nan 0.000 0.504 839 N N 0.689 119.373 118.700 -0.027 0.000 2.714 839 N HA -0.186 -5.010 4.740 -15.939 0.000 0.252 839 N C -0.542 175.000 175.510 0.053 0.000 1.014 839 N CA 0.193 53.249 53.050 0.009 0.000 0.735 839 N CB -1.289 37.215 38.487 0.028 0.000 0.924 839 N HN 0.656 nan 8.380 nan 0.000 0.540 840 L N 0.917 122.148 121.223 0.013 0.000 2.615 840 L HA 0.008 -5.216 4.340 -15.939 0.000 0.271 840 L C 0.631 177.566 176.870 0.107 0.000 1.183 840 L CA 0.459 55.322 54.840 0.038 0.000 0.933 840 L CB 0.346 42.364 42.059 -0.068 0.000 1.199 840 L HN 0.060 nan 8.230 nan 0.000 0.487 841 D N 3.349 123.897 120.400 0.246 0.000 2.339 841 D HA 0.023 -4.900 4.640 -15.939 0.000 0.241 841 D C 1.210 177.593 176.300 0.139 0.000 1.183 841 D CA 0.313 54.404 54.000 0.150 0.000 0.859 841 D CB 1.538 42.396 40.800 0.098 0.000 1.067 841 D HN 0.750 nan 8.370 nan 0.000 0.484 842 T N 0.780 115.359 114.554 0.042 0.000 2.867 842 T HA -0.144 -5.357 4.350 -15.939 0.000 0.268 842 T C 1.125 175.845 174.700 0.034 0.000 1.057 842 T CA 0.765 62.865 62.100 0.001 0.000 1.136 842 T CB 0.139 68.931 68.868 -0.127 0.000 0.874 842 T HN 0.298 nan 8.240 nan 0.000 0.466 843 D N 1.295 121.708 120.400 0.022 0.000 2.117 843 D HA -0.025 -4.949 4.640 -15.939 0.000 0.198 843 D C 2.362 178.623 176.300 -0.065 0.000 0.982 843 D CA 0.823 54.815 54.000 -0.013 0.000 0.828 843 D CB -0.314 40.473 40.800 -0.022 0.000 0.967 843 D HN 0.317 nan 8.370 nan 0.000 0.464 844 V N 1.488 121.363 119.914 -0.065 0.000 2.343 844 V HA -0.219 -5.662 4.120 -15.939 0.000 0.247 844 V C 2.504 178.586 176.094 -0.019 0.000 1.051 844 V CA 1.066 63.270 62.300 -0.160 0.000 1.036 844 V CB -0.459 31.171 31.823 -0.320 0.000 0.654 844 V HN 0.117 nan 8.190 nan 0.000 0.451 845 L N 0.983 122.325 121.223 0.199 0.000 2.046 845 L HA -0.048 -5.271 4.340 -15.939 0.000 0.208 845 L C 2.464 179.395 176.870 0.102 0.000 1.077 845 L CA 2.323 57.307 54.840 0.239 0.000 0.747 845 L CB -1.007 41.163 42.059 0.185 0.000 0.896 845 L HN 0.210 nan 8.230 nan 0.000 0.432 846 A N -0.743 122.105 122.820 0.047 0.000 1.940 846 A HA -0.235 -5.478 4.320 -15.939 0.000 0.219 846 A C 1.980 179.551 177.584 -0.022 0.000 1.176 846 A CA 1.968 54.024 52.037 0.032 0.000 0.631 846 A CB -0.860 18.157 19.000 0.028 0.000 0.814 846 A HN 0.545 nan 8.150 nan 0.000 0.446 847 D N -0.677 119.622 120.400 -0.168 0.000 2.144 847 D HA -0.078 -5.001 4.640 -15.939 0.000 0.200 847 D C 2.034 178.157 176.300 -0.294 0.000 0.978 847 D CA 1.752 55.508 54.000 -0.408 0.000 0.833 847 D CB -0.643 39.593 40.800 -0.940 0.000 0.961 847 D HN 0.410 nan 8.370 nan 0.000 0.470 848 T N 1.036 115.535 114.554 -0.091 0.000 2.674 848 T HA -0.126 -5.339 4.350 -15.939 0.000 0.265 848 T C 1.906 176.774 174.700 0.280 0.000 1.039 848 T CA 1.212 63.484 62.100 0.286 0.000 1.150 848 T CB -0.071 69.003 68.868 0.344 0.000 0.864 848 T HN 0.165 nan 8.240 nan 0.000 0.427 849 K N 0.924 121.429 120.400 0.175 0.000 2.032 849 K HA -0.136 -5.379 4.320 -15.939 0.000 0.209 849 K C 2.437 179.179 176.600 0.236 0.000 1.048 849 K CA 1.417 57.791 56.287 0.145 0.000 0.927 849 K CB -0.151 32.453 32.500 0.173 0.000 0.712 849 K HN 0.452 nan 8.250 nan 0.000 0.441 850 E N 0.294 120.634 120.200 0.233 0.000 2.058 850 E HA -0.262 -5.476 4.350 -15.939 0.000 0.194 850 E C 2.013 178.771 176.600 0.264 0.000 0.997 850 E CA 1.270 57.808 56.400 0.230 0.000 0.801 850 E CB -0.165 29.614 29.700 0.132 0.000 0.746 850 E HN 0.355 nan 8.360 nan 0.000 0.450 851 Y N 1.082 121.499 120.300 0.196 0.000 2.145 851 Y HA -0.197 -5.211 4.550 -15.939 0.000 0.286 851 Y C 1.947 177.959 175.900 0.188 0.000 1.145 851 Y CA 1.870 60.111 58.100 0.236 0.000 1.148 851 Y CB -0.256 38.441 38.460 0.396 0.000 0.981 851 Y HN 0.047 nan 8.280 nan 0.000 0.507 852 I N -1.254 119.355 120.570 0.065 0.000 2.202 852 I HA -0.331 -5.724 4.170 -15.939 0.000 0.242 852 I C 1.901 177.984 176.117 -0.057 0.000 1.091 852 I CA 1.345 62.600 61.300 -0.075 0.000 1.368 852 I CB -0.634 37.378 38.000 0.020 0.000 1.058 852 I HN 0.140 nan 8.210 nan 0.000 0.410 853 Y N 1.074 121.392 120.300 0.028 0.000 2.207 853 Y HA -0.312 -5.325 4.550 -15.939 0.000 0.287 853 Y C 2.580 178.483 175.900 0.004 0.000 1.156 853 Y CA 1.708 59.825 58.100 0.029 0.000 1.182 853 Y CB -0.523 37.946 38.460 0.015 0.000 0.979 853 Y HN 0.068 nan 8.280 nan 0.000 0.521 854 K N -0.047 120.429 120.400 0.126 0.000 2.062 854 K HA -0.145 -5.389 4.320 -15.939 0.000 0.205 854 K C 2.046 178.626 176.600 -0.033 0.000 1.051 854 K CA 1.228 57.541 56.287 0.044 0.000 0.941 854 K CB -0.205 32.324 32.500 0.048 0.000 0.719 854 K HN 0.140 nan 8.250 nan 0.000 0.440 855 Q N 0.256 119.958 119.800 -0.163 0.000 2.096 855 Q HA -0.196 -5.419 4.340 -15.939 0.000 0.208 855 Q C 2.192 178.150 176.000 -0.071 0.000 0.993 855 Q CA 2.025 57.716 55.803 -0.187 0.000 0.862 855 Q CB -0.236 28.286 28.738 -0.359 0.000 0.915 855 Q HN 0.453 nan 8.270 nan 0.000 0.416 856 I N -0.473 120.089 120.570 -0.013 0.000 2.333 856 I HA -0.125 -5.519 4.170 -15.939 0.000 0.246 856 I C 2.381 178.490 176.117 -0.014 0.000 1.106 856 I CA 0.957 62.267 61.300 0.016 0.000 1.411 856 I CB -0.632 37.433 38.000 0.108 0.000 1.082 856 I HN 0.192 nan 8.210 nan 0.000 0.420 857 G N 0.624 109.454 108.800 0.051 0.000 2.422 857 G HA2 -0.241 -5.844 3.960 -15.939 0.000 0.218 857 G HA3 -0.241 -5.844 3.960 -15.939 0.000 0.218 857 G C 1.213 176.084 174.900 -0.048 0.000 1.146 857 G CA 0.819 45.925 45.100 0.011 0.000 0.769 857 G HN 0.264 nan 8.290 nan 0.000 0.547 858 D N 0.434 120.819 120.400 -0.024 0.000 2.221 858 D HA -0.054 -4.977 4.640 -15.939 0.000 0.204 858 D C 2.426 178.698 176.300 -0.047 0.000 0.982 858 D CA 0.826 54.812 54.000 -0.024 0.000 0.857 858 D CB 0.062 40.851 40.800 -0.020 0.000 0.934 858 D HN 0.329 nan 8.370 nan 0.000 0.475 859 K N -0.425 119.927 120.400 -0.080 0.000 2.202 859 K HA 0.169 -5.075 4.320 -15.939 0.000 0.201 859 K C 1.803 178.305 176.600 -0.163 0.000 1.051 859 K CA 0.267 56.497 56.287 -0.096 0.000 0.977 859 K CB 0.540 32.988 32.500 -0.085 0.000 0.792 859 K HN 0.185 nan 8.250 nan 0.000 0.469 860 L N 1.008 122.053 121.223 -0.297 0.000 2.693 860 L HA 0.119 -5.105 4.340 -15.939 0.000 0.235 860 L C 1.259 177.672 176.870 -0.762 0.000 1.127 860 L CA -0.157 54.359 54.840 -0.541 0.000 0.914 860 L CB -0.088 41.533 42.059 -0.730 0.000 1.193 860 L HN 0.025 nan 8.230 nan 0.000 0.502 861 N N 0.989 119.412 118.700 -0.462 0.000 2.149 861 N HA -0.193 -5.016 4.740 -15.939 0.000 0.188 861 N C 1.275 176.636 175.510 -0.247 0.000 1.019 861 N CA 1.459 54.318 53.050 -0.317 0.000 0.857 861 N CB -0.032 38.447 38.487 -0.013 0.000 0.997 861 N HN 0.284 nan 8.380 nan 0.000 0.426 862 D N 0.057 120.426 120.400 -0.052 0.000 2.144 862 D HA -0.063 -4.986 4.640 -15.939 0.000 0.200 862 D C 2.065 178.390 176.300 0.041 0.000 0.978 862 D CA 0.470 54.516 54.000 0.077 0.000 0.833 862 D CB -0.206 40.660 40.800 0.111 0.000 0.961 862 D HN 0.032 nan 8.370 nan 0.000 0.470 863 V N 0.951 120.831 119.914 -0.056 0.000 2.295 863 V HA -0.262 -5.705 4.120 -15.939 0.000 0.246 863 V C 2.210 178.358 176.094 0.090 0.000 1.049 863 V CA 1.318 63.609 62.300 -0.015 0.000 1.024 863 V CB -0.717 31.066 31.823 -0.067 0.000 0.648 863 V HN 0.132 nan 8.190 nan 0.000 0.447 864 Y N -0.682 119.594 120.300 -0.041 0.000 2.165 864 Y HA -0.249 -5.262 4.550 -15.938 0.000 0.286 864 Y C 2.464 178.334 175.900 -0.051 0.000 1.155 864 Y CA 1.337 59.402 58.100 -0.059 0.000 1.164 864 Y CB -1.375 37.021 38.460 -0.107 0.000 0.978 864 Y HN 0.352 nan 8.280 nan 0.000 0.513 865 Y N 1.090 121.339 120.300 -0.084 0.000 2.145 865 Y HA -0.211 -5.225 4.550 -15.939 0.000 0.286 865 Y C 2.596 178.539 175.900 0.072 0.000 1.145 865 Y CA 2.140 60.170 58.100 -0.115 0.000 1.148 865 Y CB -0.361 37.889 38.460 -0.351 0.000 0.981 865 Y HN 0.055 nan 8.280 nan 0.000 0.507 866 K N -0.186 120.236 120.400 0.037 0.000 2.063 866 K HA -0.219 -5.462 4.320 -15.939 0.000 0.208 866 K C 2.033 178.600 176.600 -0.055 0.000 1.048 866 K CA 1.963 58.238 56.287 -0.020 0.000 0.928 866 K CB -0.234 32.300 32.500 0.058 0.000 0.713 866 K HN 0.395 nan 8.250 nan 0.000 0.442 867 M N -0.363 119.240 119.600 0.005 0.000 2.156 867 M HA -0.096 -5.180 4.480 -15.939 0.000 0.264 867 M C 1.994 178.278 176.300 -0.026 0.000 1.067 867 M CA 1.238 56.539 55.300 0.001 0.000 1.131 867 M CB -0.272 32.357 32.600 0.048 0.000 1.368 867 M HN 0.161 nan 8.290 nan 0.000 0.416 868 F N 1.628 121.481 119.950 -0.162 0.000 2.095 868 F HA -0.264 -5.301 4.527 -15.939 0.000 0.298 868 F C 2.186 177.858 175.800 -0.213 0.000 1.104 868 F CA 1.679 59.566 58.000 -0.190 0.000 1.232 868 F CB -0.120 38.749 39.000 -0.218 0.000 0.987 868 F HN -0.095 nan 8.300 nan 0.000 0.475 869 K N 0.415 120.646 120.400 -0.281 0.000 2.057 869 K HA -0.086 -5.329 4.320 -15.939 0.000 0.206 869 K C 2.375 178.831 176.600 -0.241 0.000 1.050 869 K CA 1.469 57.560 56.287 -0.326 0.000 0.935 869 K CB -1.132 31.178 32.500 -0.317 0.000 0.715 869 K HN 0.468 nan 8.250 nan 0.000 0.439 870 S N 0.787 116.385 115.700 -0.171 0.000 2.436 870 S HA -0.001 -5.095 4.470 -15.939 0.000 0.228 870 S C 2.062 176.589 174.600 -0.122 0.000 1.014 870 S CA 0.462 58.592 58.200 -0.117 0.000 0.950 870 S CB -0.391 62.765 63.200 -0.073 0.000 0.784 870 S HN 0.146 nan 8.310 nan 0.000 0.504 871 L N 1.324 122.454 121.223 -0.156 0.000 2.478 871 L HA 0.133 -5.090 4.340 -15.939 0.000 0.223 871 L C 2.715 179.481 176.870 -0.173 0.000 1.140 871 L CA 0.906 55.659 54.840 -0.145 0.000 0.842 871 L CB -0.427 41.550 42.059 -0.138 0.000 0.953 871 L HN 0.434 nan 8.230 nan 0.000 0.452 872 E N 0.900 120.960 120.200 -0.234 0.000 2.049 872 E HA -0.315 -5.529 4.350 -15.939 0.000 0.198 872 E C 2.254 178.781 176.600 -0.121 0.000 1.007 872 E CA 1.611 57.879 56.400 -0.220 0.000 0.809 872 E CB -0.018 29.536 29.700 -0.244 0.000 0.749 872 E HN 0.467 nan 8.360 nan 0.000 0.450 873 A N 0.950 123.711 122.820 -0.097 0.000 1.873 873 A HA -0.252 -5.495 4.320 -15.939 0.000 0.218 873 A C 2.104 179.659 177.584 -0.047 0.000 1.193 873 A CA 2.099 54.099 52.037 -0.062 0.000 0.629 873 A CB -0.457 18.510 19.000 -0.054 0.000 0.826 873 A HN 0.202 nan 8.150 nan 0.000 0.447 874 K N -0.792 119.576 120.400 -0.053 0.000 2.116 874 K HA 0.124 -5.119 4.320 -15.939 0.000 0.203 874 K C 2.333 178.902 176.600 -0.053 0.000 1.052 874 K CA 0.831 57.094 56.287 -0.039 0.000 0.952 874 K CB -0.248 32.231 32.500 -0.035 0.000 0.729 874 K HN 0.422 nan 8.250 nan 0.000 0.446 875 A N 1.648 124.419 122.820 -0.081 0.000 1.902 875 A HA -0.169 -5.413 4.320 -15.939 0.000 0.217 875 A C 1.160 178.661 177.584 -0.138 0.000 1.181 875 A CA 1.875 53.843 52.037 -0.114 0.000 0.623 875 A CB -0.166 18.761 19.000 -0.121 0.000 0.818 875 A HN 0.152 nan 8.150 nan 0.000 0.443 876 D N -0.410 119.951 120.400 -0.064 0.000 2.395 876 D HA 0.117 -4.806 4.640 -15.939 0.000 0.213 876 D C -0.208 176.185 176.300 0.156 0.000 1.110 876 D CA -0.189 53.838 54.000 0.045 0.000 0.835 876 D CB -0.177 40.664 40.800 0.067 0.000 0.965 876 D HN 0.394 nan 8.370 nan 0.000 0.505 877 D N 0.610 121.051 120.400 0.068 0.000 2.658 877 D HA -0.116 -5.040 4.640 -15.939 0.000 0.230 877 D C 0.871 177.262 176.300 0.150 0.000 1.118 877 D CA 0.476 54.517 54.000 0.068 0.000 0.848 877 D CB 0.677 41.502 40.800 0.042 0.000 1.160 877 D HN 0.091 nan 8.370 nan 0.000 0.497 878 L N 3.195 124.451 121.223 0.056 0.000 2.640 878 L HA 0.041 -5.182 4.340 -15.939 0.000 0.230 878 L C 2.129 178.985 176.870 -0.023 0.000 1.123 878 L CA -0.114 54.747 54.840 0.035 0.000 0.900 878 L CB -0.091 41.888 42.059 -0.134 0.000 1.146 878 L HN 0.439 nan 8.230 nan 0.000 0.484 879 T N -0.343 114.131 114.554 -0.132 0.000 2.685 879 T HA -0.239 -5.452 4.350 -15.939 0.000 0.268 879 T C 0.957 175.338 174.700 -0.533 0.000 1.034 879 T CA 1.926 63.779 62.100 -0.413 0.000 1.149 879 T CB -0.269 68.211 68.868 -0.646 0.000 0.860 879 T HN 0.303 nan 8.240 nan 0.000 0.449 880 Y N -0.938 119.313 120.300 -0.081 0.000 2.636 880 Y HA 0.416 -4.596 4.550 -15.938 0.000 0.260 880 Y C 1.257 177.148 175.900 -0.016 0.000 1.177 880 Y CA -1.635 56.372 58.100 -0.155 0.000 1.209 880 Y CB -0.401 37.747 38.460 -0.519 0.000 1.166 880 Y HN 0.115 nan 8.280 nan 0.000 0.531 881 F N 1.459 121.411 119.950 0.004 0.000 2.161 881 F HA -0.250 -5.286 4.527 -15.938 0.000 0.300 881 F C 1.166 176.953 175.800 -0.022 0.000 1.089 881 F CA 1.958 59.945 58.000 -0.021 0.000 1.282 881 F CB -0.145 38.787 39.000 -0.113 0.000 1.010 881 F HN 0.070 nan 8.300 nan 0.000 0.485 882 N N -0.660 118.098 118.700 0.098 0.000 2.268 882 N HA -0.037 -4.861 4.740 -15.939 0.000 0.204 882 N C -0.643 174.875 175.510 0.013 0.000 1.124 882 N CA -0.056 53.010 53.050 0.027 0.000 0.838 882 N CB 0.006 38.536 38.487 0.071 0.000 0.994 882 N HN 0.079 nan 8.380 nan 0.000 0.489 883 D N 0.936 121.357 120.400 0.035 0.000 2.396 883 D HA 0.069 -4.854 4.640 -15.939 0.000 0.225 883 D C 0.410 176.726 176.300 0.027 0.000 1.121 883 D CA -0.024 54.014 54.000 0.063 0.000 0.853 883 D CB 0.875 41.763 40.800 0.146 0.000 1.043 883 D HN 0.165 nan 8.370 nan 0.000 0.500 884 E N 1.005 121.220 120.200 0.025 0.000 2.268 884 E HA -0.069 -5.282 4.350 -15.939 0.000 0.195 884 E C 1.144 177.792 176.600 0.080 0.000 0.995 884 E CA 0.687 57.105 56.400 0.030 0.000 0.836 884 E CB 0.349 30.076 29.700 0.045 0.000 0.763 884 E HN 0.256 nan 8.360 nan 0.000 0.491 885 S N -0.649 115.110 115.700 0.099 0.000 2.524 885 S HA 0.004 -5.090 4.470 -15.939 0.000 0.215 885 S C 0.127 174.770 174.600 0.072 0.000 0.986 885 S CA -0.260 58.035 58.200 0.159 0.000 0.911 885 S CB 0.074 63.364 63.200 0.150 0.000 0.805 885 S HN 0.281 nan 8.310 nan 0.000 0.501 886 H N 1.691 120.696 119.070 -0.107 0.000 2.846 886 H HA 0.466 -4.541 4.556 -15.938 0.000 0.278 886 H C -1.065 174.035 175.328 -0.380 0.000 1.117 886 H CA 0.009 55.923 56.048 -0.224 0.000 1.406 886 H CB 0.164 29.769 29.762 -0.262 0.000 1.445 886 H HN -0.095 nan 8.280 nan 0.000 0.469 887 V N 5.669 125.173 119.914 -0.683 0.000 2.483 887 V HA 0.154 -5.289 4.120 -15.939 0.000 0.297 887 V C -0.477 175.148 176.094 -0.782 0.000 1.027 887 V CA -0.854 60.925 62.300 -0.867 0.000 0.855 887 V CB 1.607 32.650 31.823 -1.301 0.000 0.995 887 V HN 0.795 nan 8.190 nan 0.000 0.424 888 D N 3.514 123.496 120.400 -0.697 0.000 2.461 888 D HA 0.370 -4.554 4.640 -15.939 0.000 0.240 888 D C 0.428 176.481 176.300 -0.411 0.000 1.094 888 D CA -0.450 53.287 54.000 -0.438 0.000 0.868 888 D CB 1.150 41.804 40.800 -0.243 0.000 1.062 888 D HN 0.295 nan 8.370 nan 0.000 0.530 889 F N 1.420 121.268 119.950 -0.170 0.000 2.234 889 F HA -0.069 -5.103 4.527 -15.936 0.000 0.299 889 F C 2.097 177.842 175.800 -0.092 0.000 1.087 889 F CA 0.608 58.534 58.000 -0.123 0.000 1.340 889 F CB -0.003 38.943 39.000 -0.089 0.000 1.031 889 F HN 0.347 nan 8.300 nan 0.000 0.500 890 D N 0.046 120.487 120.400 0.067 0.000 2.097 890 D HA -0.211 -5.134 4.640 -15.939 0.000 0.197 890 D C 2.206 178.491 176.300 -0.025 0.000 0.984 890 D CA 1.264 55.279 54.000 0.026 0.000 0.826 890 D CB -0.287 40.522 40.800 0.015 0.000 0.973 890 D HN 0.324 nan 8.370 nan 0.000 0.460 891 Q N -0.637 119.121 119.800 -0.070 0.000 2.096 891 Q HA -0.171 -5.394 4.340 -15.939 0.000 0.204 891 Q C 2.267 178.175 176.000 -0.153 0.000 0.982 891 Q CA 1.342 57.080 55.803 -0.108 0.000 0.850 891 Q CB -0.090 28.576 28.738 -0.120 0.000 0.901 891 Q HN 0.345 nan 8.270 nan 0.000 0.422 892 M N 0.215 119.708 119.600 -0.179 0.000 2.159 892 M HA -0.155 -5.239 4.480 -15.939 0.000 0.263 892 M C 1.661 177.915 176.300 -0.078 0.000 1.063 892 M CA 1.000 56.197 55.300 -0.172 0.000 1.110 892 M CB -0.233 32.248 32.600 -0.198 0.000 1.374 892 M HN 0.212 nan 8.290 nan 0.000 0.411 893 N N 0.439 119.124 118.700 -0.025 0.000 2.244 893 N HA -0.066 -4.889 4.740 -15.939 0.000 0.183 893 N C 1.558 177.051 175.510 -0.029 0.000 1.016 893 N CA 1.267 54.315 53.050 -0.004 0.000 0.866 893 N CB -0.220 38.289 38.487 0.037 0.000 0.980 893 N HN 0.411 nan 8.380 nan 0.000 0.430 894 M N 0.155 119.727 119.600 -0.046 0.000 2.175 894 M HA -0.060 -5.143 4.480 -15.939 0.000 0.264 894 M C 1.993 178.252 176.300 -0.068 0.000 1.063 894 M CA 1.193 56.460 55.300 -0.055 0.000 1.119 894 M CB -0.064 32.497 32.600 -0.065 0.000 1.377 894 M HN 0.056 nan 8.290 nan 0.000 0.415 895 R N -0.537 119.909 120.500 -0.091 0.000 2.075 895 R HA -0.080 -5.303 4.340 -15.939 0.000 0.232 895 R C 2.203 178.484 176.300 -0.032 0.000 1.126 895 R CA 1.737 57.791 56.100 -0.077 0.000 0.963 895 R CB -0.795 29.414 30.300 -0.150 0.000 0.858 895 R HN 0.361 nan 8.270 nan 0.000 0.435 896 T N 2.071 116.599 114.554 -0.044 0.000 2.684 896 T HA -0.165 -5.379 4.350 -15.939 0.000 0.267 896 T C 1.767 176.436 174.700 -0.052 0.000 1.036 896 T CA 1.332 63.405 62.100 -0.044 0.000 1.148 896 T CB -0.284 68.550 68.868 -0.056 0.000 0.863 896 T HN 0.080 nan 8.240 nan 0.000 0.436 897 L N 1.267 122.458 121.223 -0.052 0.000 1.989 897 L HA -0.057 -5.280 4.340 -15.939 0.000 0.211 897 L C 2.499 179.355 176.870 -0.024 0.000 1.071 897 L CA 1.765 56.572 54.840 -0.055 0.000 0.749 897 L CB -0.516 41.517 42.059 -0.042 0.000 0.890 897 L HN 0.092 nan 8.230 nan 0.000 0.431 898 R N -0.506 120.001 120.500 0.012 0.000 2.091 898 R HA -0.164 -5.387 4.340 -15.939 0.000 0.238 898 R C 2.024 178.435 176.300 0.185 0.000 1.136 898 R CA 1.592 57.763 56.100 0.117 0.000 0.959 898 R CB -0.582 29.724 30.300 0.009 0.000 0.856 898 R HN 0.512 nan 8.270 nan 0.000 0.437 899 N N -0.321 118.442 118.700 0.105 0.000 2.270 899 N HA -0.081 -4.904 4.740 -15.939 0.000 0.181 899 N C 1.626 177.130 175.510 -0.010 0.000 1.016 899 N CA 1.370 54.471 53.050 0.084 0.000 0.870 899 N CB -0.275 38.272 38.487 0.099 0.000 0.979 899 N HN 0.188 nan 8.380 nan 0.000 0.431 900 T N 2.050 116.573 114.554 -0.053 0.000 2.737 900 T HA 0.019 -5.194 4.350 -15.939 0.000 0.265 900 T C 2.161 176.757 174.700 -0.174 0.000 1.038 900 T CA 0.658 62.687 62.100 -0.118 0.000 1.144 900 T CB -0.210 68.573 68.868 -0.143 0.000 0.866 900 T HN 0.129 nan 8.240 nan 0.000 0.434 901 L N 0.372 121.492 121.223 -0.171 0.000 2.046 901 L HA -0.050 -5.273 4.340 -15.939 0.000 0.208 901 L C 2.495 179.224 176.870 -0.236 0.000 1.077 901 L CA 0.756 55.450 54.840 -0.243 0.000 0.747 901 L CB -0.651 41.333 42.059 -0.125 0.000 0.896 901 L HN 0.205 nan 8.230 nan 0.000 0.432 902 L N -0.388 120.687 121.223 -0.247 0.000 2.012 902 L HA -0.230 -5.453 4.340 -15.939 0.000 0.210 902 L C 2.793 179.546 176.870 -0.196 0.000 1.073 902 L CA 1.973 56.572 54.840 -0.401 0.000 0.748 902 L CB -0.663 41.134 42.059 -0.436 0.000 0.891 902 L HN 0.181 nan 8.230 nan 0.000 0.431 903 S N -0.949 114.678 115.700 -0.121 0.000 2.365 903 S HA -0.208 -5.301 4.470 -15.939 0.000 0.225 903 S C 2.046 176.570 174.600 -0.127 0.000 1.039 903 S CA 1.848 60.005 58.200 -0.071 0.000 1.033 903 S CB -0.416 62.740 63.200 -0.074 0.000 0.887 903 S HN 0.491 nan 8.310 nan 0.000 0.447 904 L N 0.653 121.767 121.223 -0.181 0.000 2.056 904 L HA -0.062 -5.285 4.340 -15.939 0.000 0.207 904 L C 2.417 179.236 176.870 -0.084 0.000 1.078 904 L CA 1.040 55.775 54.840 -0.175 0.000 0.749 904 L CB -0.475 41.465 42.059 -0.200 0.000 0.901 904 L HN 0.343 nan 8.230 nan 0.000 0.433 905 L N -1.259 119.915 121.223 -0.081 0.000 2.109 905 L HA -0.136 -5.359 4.340 -15.939 0.000 0.207 905 L C 2.667 179.553 176.870 0.027 0.000 1.086 905 L CA 0.854 55.671 54.840 -0.038 0.000 0.760 905 L CB -0.430 41.544 42.059 -0.143 0.000 0.910 905 L HN 0.160 nan 8.230 nan 0.000 0.437 906 S N -0.187 115.523 115.700 0.017 0.000 2.368 906 S HA -0.163 -5.257 4.470 -15.939 0.000 0.224 906 S C 1.950 176.466 174.600 -0.141 0.000 1.029 906 S CA 1.135 59.426 58.200 0.152 0.000 0.988 906 S CB -0.106 63.275 63.200 0.302 0.000 0.838 906 S HN 0.282 nan 8.310 nan 0.000 0.462 907 K N 1.627 121.800 120.400 -0.380 0.000 2.044 907 K HA -0.047 -5.290 4.320 -15.939 0.000 0.210 907 K C 2.130 178.489 176.600 -0.402 0.000 1.049 907 K CA 1.381 57.237 56.287 -0.718 0.000 0.927 907 K CB -0.346 31.842 32.500 -0.520 0.000 0.713 907 K HN 0.344 nan 8.250 nan 0.000 0.443 908 A N 0.493 123.206 122.820 -0.177 0.000 2.168 908 A HA -0.113 -5.357 4.320 -15.939 0.000 0.215 908 A C 0.054 177.624 177.584 -0.024 0.000 1.152 908 A CA 0.624 52.625 52.037 -0.061 0.000 0.716 908 A CB -0.056 18.966 19.000 0.037 0.000 0.794 908 A HN 0.346 nan 8.150 nan 0.000 0.465 909 Q N -2.211 117.574 119.800 -0.025 0.000 2.463 909 Q HA -0.236 -5.460 4.340 -15.939 0.000 0.299 909 Q C -0.521 175.549 176.000 0.116 0.000 1.353 909 Q CA 0.689 56.525 55.803 0.055 0.000 0.828 909 Q CB -2.496 26.217 28.738 -0.041 0.000 1.157 909 Q HN 0.762 nan 8.270 nan 0.000 0.436 910 Y N 1.362 121.671 120.300 0.016 0.000 2.702 910 Y HA 0.056 -4.957 4.550 -15.938 0.000 0.336 910 Y C -1.581 174.297 175.900 -0.037 0.000 1.235 910 Y CA -1.035 57.048 58.100 -0.029 0.000 1.492 910 Y CB 0.486 38.918 38.460 -0.045 0.000 1.308 910 Y HN 0.079 nan 8.280 nan 0.000 0.589 911 P HA -0.041 nan 4.420 nan 0.000 0.261 911 P C -0.594 176.572 177.300 -0.225 0.000 1.183 911 P CA 1.221 64.106 63.100 -0.359 0.000 0.761 911 P CB 0.161 31.562 31.700 -0.498 0.000 0.785 912 N N 0.642 119.288 118.700 -0.091 0.000 2.778 912 N HA -0.260 -5.083 4.740 -15.939 0.000 0.249 912 N C 0.735 176.229 175.510 -0.026 0.000 1.069 912 N CA 0.211 53.230 53.050 -0.052 0.000 0.831 912 N CB -1.751 36.699 38.487 -0.063 0.000 1.142 912 N HN 0.362 nan 8.380 nan 0.000 0.573 913 I N 0.361 120.938 120.570 0.012 0.000 2.567 913 I HA -0.115 -5.508 4.170 -15.939 0.000 0.257 913 I C 1.826 177.851 176.117 -0.154 0.000 1.184 913 I CA 0.998 62.310 61.300 0.020 0.000 1.451 913 I CB -0.053 38.022 38.000 0.124 0.000 1.089 913 I HN 0.400 nan 8.210 nan 0.000 0.441 914 L N 0.406 121.419 121.223 -0.351 0.000 2.191 914 L HA -0.207 -5.431 4.340 -15.939 0.000 0.212 914 L C 1.981 178.722 176.870 -0.216 0.000 1.103 914 L CA 1.851 56.363 54.840 -0.547 0.000 0.769 914 L CB -1.113 40.531 42.059 -0.691 0.000 0.908 914 L HN 0.358 nan 8.230 nan 0.000 0.438 915 N N -0.862 117.780 118.700 -0.097 0.000 2.120 915 N HA -0.209 -5.032 4.740 -15.939 0.000 0.188 915 N C 1.588 177.125 175.510 0.044 0.000 1.024 915 N CA 1.258 54.303 53.050 -0.009 0.000 0.852 915 N CB -0.048 38.454 38.487 0.026 0.000 1.003 915 N HN 0.371 nan 8.380 nan 0.000 0.424 916 E N 0.855 121.095 120.200 0.066 0.000 2.072 916 E HA -0.033 -5.247 4.350 -15.939 0.000 0.191 916 E C 1.864 178.536 176.600 0.119 0.000 0.985 916 E CA 0.606 57.090 56.400 0.141 0.000 0.801 916 E CB -0.015 29.777 29.700 0.153 0.000 0.750 916 E HN 0.336 nan 8.360 nan 0.000 0.452 917 I N 0.504 121.082 120.570 0.012 0.000 2.163 917 I HA -0.275 -5.669 4.170 -15.939 0.000 0.243 917 I C 1.811 177.999 176.117 0.118 0.000 1.085 917 I CA 0.695 62.024 61.300 0.048 0.000 1.347 917 I CB -0.312 37.651 38.000 -0.062 0.000 1.044 917 I HN 0.162 nan 8.210 nan 0.000 0.408 918 I N 0.513 121.116 120.570 0.054 0.000 2.226 918 I HA -0.229 -5.622 4.170 -15.939 0.000 0.245 918 I C 2.611 178.790 176.117 0.103 0.000 1.100 918 I CA 1.541 62.880 61.300 0.066 0.000 1.374 918 I CB -1.361 36.654 38.000 0.025 0.000 1.057 918 I HN 0.273 nan 8.210 nan 0.000 0.413 919 E N -0.197 120.076 120.200 0.122 0.000 2.077 919 E HA -0.253 -5.467 4.350 -15.939 0.000 0.193 919 E C 2.201 178.917 176.600 0.194 0.000 0.989 919 E CA 1.195 57.677 56.400 0.137 0.000 0.800 919 E CB -0.572 29.213 29.700 0.142 0.000 0.746 919 E HN 0.524 nan 8.360 nan 0.000 0.452 920 H N 0.683 119.838 119.070 0.142 0.000 2.421 920 H HA -0.063 -5.071 4.556 -15.939 0.000 0.298 920 H C 2.106 177.548 175.328 0.191 0.000 1.087 920 H CA 1.795 57.950 56.048 0.180 0.000 1.330 920 H CB -0.083 29.814 29.762 0.225 0.000 1.388 920 H HN 0.122 nan 8.280 nan 0.000 0.526 921 S N -0.385 115.446 115.700 0.217 0.000 2.474 921 S HA -0.100 -5.193 4.470 -15.939 0.000 0.235 921 S C 1.635 176.288 174.600 0.087 0.000 0.997 921 S CA 0.956 59.263 58.200 0.180 0.000 0.949 921 S CB -0.050 63.235 63.200 0.141 0.000 0.766 921 S HN 0.419 nan 8.310 nan 0.000 0.517 922 K N 1.393 121.825 120.400 0.054 0.000 2.404 922 K HA 0.260 -4.984 4.320 -15.939 0.000 0.194 922 K C 0.665 177.257 176.600 -0.014 0.000 1.023 922 K CA -0.043 56.236 56.287 -0.012 0.000 1.094 922 K CB 0.236 32.731 32.500 -0.009 0.000 0.841 922 K HN 0.300 nan 8.250 nan 0.000 0.523 923 S N 1.786 117.511 115.700 0.041 0.000 2.558 923 S HA 0.041 -5.052 4.470 -15.939 0.000 0.288 923 S C -1.741 172.916 174.600 0.096 0.000 1.318 923 S CA -1.283 56.944 58.200 0.045 0.000 1.056 923 S CB 0.641 63.856 63.200 0.024 0.000 0.853 923 S HN -0.027 nan 8.310 nan 0.000 0.505 924 P HA 0.043 nan 4.420 nan 0.000 0.226 924 P C -0.739 176.591 177.300 0.051 0.000 1.153 924 P CA 0.760 63.744 63.100 -0.193 0.000 0.777 924 P CB -0.007 31.212 31.700 -0.802 0.000 0.794 925 Y N -0.326 120.098 120.300 0.207 0.000 2.404 925 Y HA 0.181 -4.832 4.550 -15.938 0.000 0.344 925 Y C -1.194 174.616 175.900 -0.149 0.000 0.995 925 Y CA -2.358 55.823 58.100 0.136 0.000 1.201 925 Y CB -0.044 38.440 38.460 0.040 0.000 1.151 925 Y HN -0.004 nan 8.280 nan 0.000 0.517 926 P HA -0.208 nan 4.420 nan 0.000 0.216 926 P C 1.502 178.367 177.300 -0.725 0.000 1.150 926 P CA 1.929 64.377 63.100 -1.088 0.000 0.843 926 P CB 0.344 31.697 31.700 -0.578 0.000 0.787 927 S N -0.873 114.661 115.700 -0.277 0.000 2.387 927 S HA -0.177 -5.270 4.470 -15.939 0.000 0.230 927 S C 1.735 176.257 174.600 -0.130 0.000 1.035 927 S CA 1.470 59.573 58.200 -0.162 0.000 1.014 927 S CB -0.941 62.214 63.200 -0.075 0.000 0.836 927 S HN 0.244 nan 8.310 nan 0.000 0.466 928 N N 1.227 119.845 118.700 -0.137 0.000 2.109 928 N HA -0.051 -4.874 4.740 -15.939 0.000 0.188 928 N C 1.663 177.100 175.510 -0.122 0.000 1.034 928 N CA 1.439 54.359 53.050 -0.218 0.000 0.846 928 N CB -0.592 37.632 38.487 -0.439 0.000 1.010 928 N HN 0.748 nan 8.380 nan 0.000 0.425 929 W N 1.007 122.270 121.300 -0.061 0.000 2.467 929 W HA 0.136 -4.767 4.660 -15.938 0.000 0.275 929 W C 1.182 177.743 176.519 0.071 0.000 1.239 929 W CA 0.063 57.408 57.345 0.001 0.000 1.266 929 W CB -0.856 28.605 29.460 0.001 0.000 1.112 929 W HN -0.046 nan 8.180 nan 0.000 0.576 930 L N 1.365 122.544 121.223 -0.074 0.000 2.179 930 L HA -0.109 -5.332 4.340 -15.939 0.000 0.208 930 L C 2.690 179.592 176.870 0.055 0.000 1.096 930 L CA 1.621 56.451 54.840 -0.016 0.000 0.779 930 L CB -0.934 40.980 42.059 -0.241 0.000 0.922 930 L HN -0.103 nan 8.230 nan 0.000 0.443 931 T N -0.733 113.860 114.554 0.064 0.000 2.788 931 T HA -0.180 -5.393 4.350 -15.939 0.000 0.268 931 T C 2.137 176.963 174.700 0.209 0.000 1.044 931 T CA 1.599 63.780 62.100 0.134 0.000 1.139 931 T CB -0.179 68.802 68.868 0.189 0.000 0.867 931 T HN 0.543 nan 8.240 nan 0.000 0.454 932 S N 1.860 117.733 115.700 0.289 0.000 2.370 932 S HA -0.124 -5.217 4.470 -15.939 0.000 0.226 932 S C 2.045 176.776 174.600 0.217 0.000 1.033 932 S CA 1.103 59.475 58.200 0.287 0.000 1.011 932 S CB -0.772 62.616 63.200 0.313 0.000 0.852 932 S HN 0.305 nan 8.310 nan 0.000 0.457 933 L N 2.954 124.300 121.223 0.204 0.000 1.970 933 L HA -0.098 -5.322 4.340 -15.939 0.000 0.212 933 L C 2.712 179.692 176.870 0.182 0.000 1.071 933 L CA 2.640 57.570 54.840 0.150 0.000 0.751 933 L CB -1.361 40.770 42.059 0.120 0.000 0.889 933 L HN 0.607 nan 8.230 nan 0.000 0.432 934 S N -0.955 114.826 115.700 0.135 0.000 2.382 934 S HA -0.158 -5.252 4.470 -15.939 0.000 0.228 934 S C 1.971 176.622 174.600 0.084 0.000 1.027 934 S CA 1.368 59.627 58.200 0.099 0.000 0.991 934 S CB -1.636 61.581 63.200 0.029 0.000 0.823 934 S HN 0.483 nan 8.310 nan 0.000 0.469 935 V N 1.323 121.326 119.914 0.148 0.000 2.871 935 V HA 0.032 -5.411 4.120 -15.939 0.000 0.256 935 V C 2.403 178.698 176.094 0.334 0.000 1.082 935 V CA 1.418 63.853 62.300 0.225 0.000 1.105 935 V CB -1.177 30.766 31.823 0.199 0.000 0.713 935 V HN 0.667 nan 8.190 nan 0.000 0.473 936 S N 1.179 117.063 115.700 0.305 0.000 2.515 936 S HA 0.096 -4.998 4.470 -15.939 0.000 0.231 936 S C 2.065 176.869 174.600 0.340 0.000 0.987 936 S CA 0.975 59.423 58.200 0.412 0.000 0.936 936 S CB -0.443 62.937 63.200 0.300 0.000 0.766 936 S HN 1.103 nan 8.310 nan 0.000 0.528 937 A N 1.173 124.019 122.820 0.044 0.000 1.971 937 A HA -0.143 -5.386 4.320 -15.939 0.000 0.222 937 A C 1.699 178.973 177.584 -0.518 0.000 1.182 937 A CA 1.707 53.431 52.037 -0.522 0.000 0.649 937 A CB -1.204 17.304 19.000 -0.820 0.000 0.818 937 A HN 0.730 nan 8.150 nan 0.000 0.458 938 Y N -2.159 118.058 120.300 -0.138 0.000 2.529 938 Y HA 0.355 -4.659 4.550 -15.939 0.000 0.290 938 Y C -0.028 175.481 175.900 -0.652 0.000 1.177 938 Y CA -0.283 57.578 58.100 -0.399 0.000 1.305 938 Y CB -0.392 37.761 38.460 -0.511 0.000 1.047 938 Y HN 0.220 nan 8.280 nan 0.000 0.522 939 F N -1.448 118.555 119.950 0.089 0.000 2.593 939 F HA 0.441 -4.596 4.527 -15.939 0.000 0.320 939 F C 1.094 176.939 175.800 0.075 0.000 1.060 939 F CA -1.043 57.011 58.000 0.089 0.000 0.940 939 F CB 0.668 39.731 39.000 0.105 0.000 1.268 939 F HN -0.115 nan 8.300 nan 0.000 0.475 940 D N 0.028 120.595 120.400 0.278 0.000 2.392 940 D HA -0.050 -4.973 4.640 -15.939 0.000 0.228 940 D C 1.181 177.609 176.300 0.213 0.000 1.003 940 D CA 0.987 55.106 54.000 0.199 0.000 0.917 940 D CB -0.428 40.468 40.800 0.160 0.000 0.890 940 D HN 0.443 nan 8.370 nan 0.000 0.532 941 K N -1.283 119.262 120.400 0.241 0.000 2.404 941 K HA 0.091 -5.153 4.320 -15.939 0.000 0.194 941 K C 1.266 177.982 176.600 0.195 0.000 1.023 941 K CA -0.337 56.065 56.287 0.190 0.000 1.094 941 K CB 0.091 32.672 32.500 0.135 0.000 0.841 941 K HN 0.558 nan 8.250 nan 0.000 0.523 942 Y N 0.773 121.107 120.300 0.056 0.000 2.081 942 Y HA -0.281 -5.294 4.550 -15.939 0.000 0.280 942 Y C 1.600 177.487 175.900 -0.023 0.000 1.163 942 Y CA 1.762 59.827 58.100 -0.059 0.000 1.135 942 Y CB -0.222 38.065 38.460 -0.289 0.000 0.970 942 Y HN -0.068 nan 8.280 nan 0.000 0.498 943 F N 0.685 120.699 119.950 0.106 0.000 2.325 943 F HA -0.070 -5.106 4.527 -15.939 0.000 0.299 943 F C 2.509 178.347 175.800 0.063 0.000 1.090 943 F CA 1.490 59.489 58.000 -0.000 0.000 1.392 943 F CB -0.774 38.223 39.000 -0.005 0.000 1.053 943 F HN 0.244 nan 8.300 nan 0.000 0.521 944 E N 0.658 120.993 120.200 0.225 0.000 2.051 944 E HA -0.200 -5.414 4.350 -15.939 0.000 0.192 944 E C 2.100 178.782 176.600 0.138 0.000 0.991 944 E CA 1.317 57.813 56.400 0.160 0.000 0.799 944 E CB -0.255 29.518 29.700 0.123 0.000 0.748 944 E HN 0.404 nan 8.360 nan 0.000 0.449 945 L N 0.019 121.302 121.223 0.101 0.000 2.217 945 L HA -0.104 -5.327 4.340 -15.939 0.000 0.211 945 L C 2.431 179.382 176.870 0.135 0.000 1.107 945 L CA 0.760 55.656 54.840 0.093 0.000 0.783 945 L CB -0.489 41.617 42.059 0.080 0.000 0.919 945 L HN 0.286 nan 8.230 nan 0.000 0.442 946 Y N 1.493 121.752 120.300 -0.068 0.000 2.097 946 Y HA -0.340 -5.354 4.550 -15.939 0.000 0.282 946 Y C 2.330 178.412 175.900 0.303 0.000 1.152 946 Y CA 2.044 60.196 58.100 0.086 0.000 1.136 946 Y CB -0.012 38.438 38.460 -0.017 0.000 0.975 946 Y HN 0.220 nan 8.280 nan 0.000 0.498 947 D N 0.124 120.792 120.400 0.446 0.000 2.117 947 D HA -0.182 -5.105 4.640 -15.939 0.000 0.198 947 D C 2.059 178.444 176.300 0.142 0.000 0.982 947 D CA 1.456 55.629 54.000 0.289 0.000 0.828 947 D CB -0.379 40.557 40.800 0.228 0.000 0.967 947 D HN 0.404 nan 8.370 nan 0.000 0.464 948 K N 0.515 120.974 120.400 0.099 0.000 2.026 948 K HA -0.140 -5.383 4.320 -15.939 0.000 0.208 948 K C 2.020 178.566 176.600 -0.090 0.000 1.048 948 K CA 1.950 58.233 56.287 -0.007 0.000 0.929 948 K CB -0.120 32.375 32.500 -0.008 0.000 0.713 948 K HN 0.226 nan 8.250 nan 0.000 0.439 949 T N -1.761 112.809 114.554 0.026 0.000 2.904 949 T HA -0.162 -5.375 4.350 -15.939 0.000 0.267 949 T C 1.927 176.543 174.700 -0.139 0.000 1.059 949 T CA 0.852 62.987 62.100 0.057 0.000 1.137 949 T CB -0.585 68.597 68.868 0.523 0.000 0.879 949 T HN 0.383 nan 8.240 nan 0.000 0.467 950 Y N 2.570 122.588 120.300 -0.469 0.000 2.128 950 Y HA -0.051 -5.065 4.550 -15.939 0.000 0.284 950 Y C 2.344 177.888 175.900 -0.594 0.000 1.154 950 Y CA 1.497 58.942 58.100 -1.091 0.000 1.149 950 Y CB -0.307 37.518 38.460 -1.059 0.000 0.976 950 Y HN 0.079 nan 8.280 nan 0.000 0.505 951 K N 0.043 120.191 120.400 -0.420 0.000 2.103 951 K HA -0.181 -5.424 4.320 -15.939 0.000 0.207 951 K C 2.061 178.416 176.600 -0.409 0.000 1.048 951 K CA 1.777 57.831 56.287 -0.389 0.000 0.930 951 K CB -0.382 32.010 32.500 -0.179 0.000 0.716 951 K HN 0.394 nan 8.250 nan 0.000 0.444 952 L N 0.511 121.480 121.223 -0.424 0.000 2.141 952 L HA -0.152 -5.375 4.340 -15.939 0.000 0.209 952 L C 2.041 178.760 176.870 -0.251 0.000 1.094 952 L CA 1.036 55.604 54.840 -0.453 0.000 0.763 952 L CB -0.148 41.346 42.059 -0.941 0.000 0.908 952 L HN 0.106 nan 8.230 nan 0.000 0.437 953 S N -0.536 115.009 115.700 -0.259 0.000 2.483 953 S HA -0.043 -5.136 4.470 -15.939 0.000 0.221 953 S C 1.734 176.182 174.600 -0.253 0.000 1.030 953 S CA 0.260 58.401 58.200 -0.099 0.000 0.925 953 S CB 0.146 63.332 63.200 -0.023 0.000 0.795 953 S HN 0.448 nan 8.310 nan 0.000 0.511 954 K N 1.797 121.870 120.400 -0.545 0.000 2.209 954 K HA -0.048 -5.291 4.320 -15.939 0.000 0.204 954 K C 0.314 176.773 176.600 -0.235 0.000 1.048 954 K CA 1.556 57.513 56.287 -0.550 0.000 0.940 954 K CB -0.185 31.742 32.500 -0.955 0.000 0.729 954 K HN 0.132 nan 8.250 nan 0.000 0.451 955 D N 0.928 121.233 120.400 -0.159 0.000 2.342 955 D HA 0.027 -4.896 4.640 -15.939 0.000 0.221 955 D C -0.579 175.751 176.300 0.050 0.000 1.101 955 D CA 0.307 54.274 54.000 -0.055 0.000 0.837 955 D CB 0.253 41.012 40.800 -0.067 0.000 0.938 955 D HN 0.292 nan 8.370 nan 0.000 0.508 956 D N 1.154 121.594 120.400 0.067 0.000 2.620 956 D HA 0.005 -4.918 4.640 -15.939 0.000 0.252 956 D C 0.880 177.228 176.300 0.080 0.000 1.207 956 D CA -0.312 53.784 54.000 0.161 0.000 0.884 956 D CB 2.202 43.081 40.800 0.131 0.000 1.262 956 D HN -0.114 nan 8.370 nan 0.000 0.552 957 E N 3.399 123.654 120.200 0.092 0.000 2.070 957 E HA -0.180 -5.394 4.350 -15.939 0.000 0.197 957 E C 1.413 178.001 176.600 -0.021 0.000 1.004 957 E CA 1.101 57.520 56.400 0.032 0.000 0.805 957 E CB 0.261 29.976 29.700 0.026 0.000 0.744 957 E HN 0.587 nan 8.360 nan 0.000 0.451 958 L N 0.235 121.391 121.223 -0.112 0.000 2.072 958 L HA -0.137 -5.360 4.340 -15.939 0.000 0.205 958 L C 2.681 179.556 176.870 0.007 0.000 1.079 958 L CA 0.312 55.113 54.840 -0.066 0.000 0.752 958 L CB -0.348 41.633 42.059 -0.130 0.000 0.906 958 L HN 0.264 nan 8.230 nan 0.000 0.436 959 L N -0.132 121.105 121.223 0.024 0.000 2.083 959 L HA -0.193 -5.416 4.340 -15.939 0.000 0.209 959 L C 2.286 179.240 176.870 0.140 0.000 1.083 959 L CA 1.483 56.374 54.840 0.085 0.000 0.752 959 L CB -0.502 41.631 42.059 0.124 0.000 0.899 959 L HN 0.112 nan 8.230 nan 0.000 0.433 960 L N -0.582 120.706 121.223 0.108 0.000 2.083 960 L HA -0.235 -5.458 4.340 -15.939 0.000 0.209 960 L C 2.462 179.479 176.870 0.244 0.000 1.083 960 L CA 1.766 56.699 54.840 0.155 0.000 0.752 960 L CB -0.695 41.405 42.059 0.068 0.000 0.899 960 L HN 0.431 nan 8.230 nan 0.000 0.433 961 Q N -0.909 118.981 119.800 0.149 0.000 2.124 961 Q HA -0.187 -5.410 4.340 -15.939 0.000 0.202 961 Q C 2.005 178.067 176.000 0.104 0.000 0.977 961 Q CA 1.572 57.448 55.803 0.121 0.000 0.850 961 Q CB -0.116 28.669 28.738 0.079 0.000 0.901 961 Q HN 0.494 nan 8.270 nan 0.000 0.429 962 E N -0.129 120.130 120.200 0.098 0.000 2.106 962 E HA -0.196 -5.410 4.350 -15.939 0.000 0.192 962 E C 1.479 178.129 176.600 0.083 0.000 0.984 962 E CA 0.768 57.202 56.400 0.056 0.000 0.806 962 E CB -0.337 29.377 29.700 0.022 0.000 0.750 962 E HN 0.484 nan 8.360 nan 0.000 0.458 963 W N 1.767 123.066 121.300 -0.002 0.000 2.355 963 W HA -0.152 -5.056 4.660 -15.939 0.000 0.309 963 W C 2.013 178.533 176.519 0.002 0.000 1.206 963 W CA 1.405 58.762 57.345 0.021 0.000 1.284 963 W CB -0.451 29.051 29.460 0.070 0.000 1.145 963 W HN -0.027 nan 8.180 nan 0.000 0.502 964 L N 0.817 122.109 121.223 0.114 0.000 2.012 964 L HA -0.294 -5.517 4.340 -15.939 0.000 0.210 964 L C 2.586 179.338 176.870 -0.197 0.000 1.073 964 L CA 1.966 56.745 54.840 -0.101 0.000 0.748 964 L CB -0.961 41.145 42.059 0.079 0.000 0.891 964 L HN -0.038 nan 8.230 nan 0.000 0.431 965 K N -0.662 119.672 120.400 -0.109 0.000 2.063 965 K HA -0.163 -5.406 4.320 -15.939 0.000 0.208 965 K C 2.048 178.558 176.600 -0.150 0.000 1.048 965 K CA 1.940 58.160 56.287 -0.112 0.000 0.928 965 K CB -0.404 32.048 32.500 -0.080 0.000 0.713 965 K HN 0.345 nan 8.250 nan 0.000 0.442 966 T N 1.056 115.496 114.554 -0.190 0.000 2.777 966 T HA -0.092 -5.305 4.350 -15.939 0.000 0.266 966 T C 2.100 176.670 174.700 -0.215 0.000 1.040 966 T CA 1.155 63.144 62.100 -0.185 0.000 1.141 966 T CB -0.204 68.556 68.868 -0.180 0.000 0.868 966 T HN -0.052 nan 8.240 nan 0.000 0.444 967 V N 1.355 121.031 119.914 -0.397 0.000 2.295 967 V HA -0.171 -5.614 4.120 -15.939 0.000 0.246 967 V C 2.747 178.744 176.094 -0.162 0.000 1.049 967 V CA 1.964 64.075 62.300 -0.316 0.000 1.024 967 V CB -0.882 30.569 31.823 -0.621 0.000 0.648 967 V HN 0.496 nan 8.190 nan 0.000 0.447 968 S N -0.381 115.207 115.700 -0.186 0.000 2.383 968 S HA -0.228 -5.322 4.470 -15.939 0.000 0.229 968 S C 2.234 176.820 174.600 -0.022 0.000 1.030 968 S CA 1.990 60.125 58.200 -0.109 0.000 1.002 968 S CB -0.221 62.913 63.200 -0.109 0.000 0.829 968 S HN 0.437 nan 8.310 nan 0.000 0.467 969 R N 0.929 121.396 120.500 -0.055 0.000 2.299 969 R HA 0.348 -4.875 4.340 -15.939 0.000 0.197 969 R C 0.557 176.826 176.300 -0.052 0.000 0.971 969 R CA 0.365 56.440 56.100 -0.042 0.000 1.030 969 R CB -1.011 29.250 30.300 -0.065 0.000 0.932 969 R HN 0.508 nan 8.270 nan 0.000 0.477 970 S N 1.886 117.547 115.700 -0.066 0.000 2.537 970 S HA 0.010 -5.084 4.470 -15.939 0.000 0.286 970 S C -0.090 174.399 174.600 -0.184 0.000 1.299 970 S CA -0.050 58.081 58.200 -0.115 0.000 1.067 970 S CB 0.768 63.922 63.200 -0.077 0.000 0.864 970 S HN 0.437 nan 8.310 nan 0.000 0.494 971 D N 3.068 123.305 120.400 -0.272 0.000 2.608 971 D HA 0.088 -4.836 4.640 -15.939 0.000 0.224 971 D C -0.189 175.883 176.300 -0.380 0.000 1.123 971 D CA -0.200 53.643 54.000 -0.261 0.000 1.030 971 D CB -0.038 40.648 40.800 -0.191 0.000 1.093 971 D HN 0.165 nan 8.370 nan 0.000 0.497 972 R N 1.296 121.614 120.500 -0.304 0.000 2.514 972 R HA 0.397 -4.826 4.340 -15.939 0.000 0.301 972 R C 1.171 177.385 176.300 -0.143 0.000 0.962 972 R CA -0.438 55.462 56.100 -0.333 0.000 0.882 972 R CB 1.322 31.357 30.300 -0.442 0.000 1.143 972 R HN 0.221 nan 8.270 nan 0.000 0.452 973 K N 1.300 121.636 120.400 -0.106 0.000 2.217 973 K HA -0.093 -5.336 4.320 -15.939 0.000 0.202 973 K C 0.744 177.364 176.600 0.033 0.000 1.051 973 K CA 1.846 58.126 56.287 -0.011 0.000 0.952 973 K CB -0.402 32.094 32.500 -0.007 0.000 0.736 973 K HN 0.722 nan 8.250 nan 0.000 0.453 974 D N -0.425 119.976 120.400 0.002 0.000 2.434 974 D HA 0.049 -4.875 4.640 -15.939 0.000 0.232 974 D C 1.068 177.394 176.300 0.043 0.000 1.166 974 D CA -0.412 53.621 54.000 0.055 0.000 0.830 974 D CB 0.069 40.918 40.800 0.081 0.000 0.960 974 D HN 0.230 nan 8.370 nan 0.000 0.497 975 I N -0.159 120.410 120.570 -0.003 0.000 2.361 975 I HA -0.221 -5.614 4.170 -15.939 0.000 0.251 975 I C 1.318 177.312 176.117 -0.206 0.000 1.133 975 I CA 1.261 62.497 61.300 -0.106 0.000 1.413 975 I CB -0.261 37.670 38.000 -0.115 0.000 1.073 975 I HN -0.041 nan 8.210 nan 0.000 0.424 976 Y N 0.553 120.813 120.300 -0.067 0.000 2.242 976 Y HA -0.186 -5.199 4.550 -15.939 0.000 0.291 976 Y C 2.779 178.644 175.900 -0.060 0.000 1.137 976 Y CA 1.591 59.632 58.100 -0.098 0.000 1.181 976 Y CB -0.782 37.654 38.460 -0.039 0.000 0.989 976 Y HN 0.069 nan 8.280 nan 0.000 0.527 977 E N 0.086 120.360 120.200 0.123 0.000 2.106 977 E HA -0.158 -5.371 4.350 -15.939 0.000 0.192 977 E C 2.147 178.777 176.600 0.049 0.000 0.984 977 E CA 1.210 57.654 56.400 0.074 0.000 0.806 977 E CB -0.629 29.111 29.700 0.067 0.000 0.750 977 E HN 0.562 nan 8.360 nan 0.000 0.458 978 I N 0.324 120.927 120.570 0.054 0.000 2.226 978 I HA -0.227 -5.620 4.170 -15.939 0.000 0.245 978 I C 2.437 178.562 176.117 0.014 0.000 1.100 978 I CA 1.243 62.588 61.300 0.075 0.000 1.374 978 I CB -0.266 37.799 38.000 0.109 0.000 1.057 978 I HN 0.186 nan 8.210 nan 0.000 0.413 979 L N 0.175 121.345 121.223 -0.089 0.000 2.141 979 L HA -0.226 -5.449 4.340 -15.939 0.000 0.209 979 L C 2.805 179.652 176.870 -0.038 0.000 1.094 979 L CA 1.115 55.870 54.840 -0.142 0.000 0.763 979 L CB -0.653 41.223 42.059 -0.305 0.000 0.908 979 L HN 0.117 nan 8.230 nan 0.000 0.437 980 K N 0.485 120.890 120.400 0.009 0.000 2.057 980 K HA -0.194 -5.437 4.320 -15.939 0.000 0.206 980 K C 2.143 178.766 176.600 0.039 0.000 1.050 980 K CA 1.443 57.754 56.287 0.041 0.000 0.935 980 K CB -0.185 32.344 32.500 0.048 0.000 0.715 980 K HN 0.316 nan 8.250 nan 0.000 0.439 981 K N 0.085 120.507 120.400 0.037 0.000 2.057 981 K HA -0.044 -5.288 4.320 -15.939 0.000 0.207 981 K C 2.262 178.914 176.600 0.088 0.000 1.049 981 K CA 1.761 58.078 56.287 0.050 0.000 0.931 981 K CB -0.272 32.255 32.500 0.044 0.000 0.714 981 K HN 0.286 nan 8.250 nan 0.000 0.440 982 L N 0.702 121.981 121.223 0.093 0.000 2.046 982 L HA -0.204 -5.427 4.340 -15.939 0.000 0.208 982 L C 2.310 179.218 176.870 0.063 0.000 1.077 982 L CA 1.487 56.386 54.840 0.098 0.000 0.747 982 L CB -0.419 41.649 42.059 0.016 0.000 0.896 982 L HN 0.294 nan 8.230 nan 0.000 0.432 983 E N 0.056 120.281 120.200 0.041 0.000 2.058 983 E HA -0.207 -5.420 4.350 -15.939 0.000 0.194 983 E C 1.930 178.570 176.600 0.066 0.000 0.997 983 E CA 1.401 57.840 56.400 0.066 0.000 0.801 983 E CB -0.049 29.709 29.700 0.097 0.000 0.746 983 E HN 0.470 nan 8.360 nan 0.000 0.450 984 N N 0.413 119.146 118.700 0.055 0.000 2.300 984 N HA -0.092 -4.916 4.740 -15.939 0.000 0.179 984 N C 1.307 176.840 175.510 0.039 0.000 1.016 984 N CA 0.961 54.036 53.050 0.043 0.000 0.876 984 N CB 0.087 38.592 38.487 0.030 0.000 0.979 984 N HN 0.267 nan 8.380 nan 0.000 0.432 985 E N -0.572 119.655 120.200 0.045 0.000 2.290 985 E HA 0.117 -5.096 4.350 -15.939 0.000 0.197 985 E C 1.222 177.850 176.600 0.047 0.000 0.948 985 E CA 0.212 56.631 56.400 0.031 0.000 0.895 985 E CB 0.752 30.459 29.700 0.012 0.000 0.865 985 E HN 0.036 nan 8.360 nan 0.000 0.486 986 V N 0.262 120.227 119.914 0.086 0.000 2.950 986 V HA -0.030 -5.473 4.120 -15.939 0.000 0.231 986 V C 1.791 177.952 176.094 0.110 0.000 1.205 986 V CA 0.191 62.566 62.300 0.126 0.000 1.239 986 V CB -0.169 31.790 31.823 0.226 0.000 1.050 986 V HN 0.095 nan 8.190 nan 0.000 0.498 987 L N 0.569 121.850 121.223 0.097 0.000 2.005 987 L HA 0.035 -5.189 4.340 -15.939 0.000 0.207 987 L C 1.531 178.444 176.870 0.072 0.000 1.072 987 L CA 2.025 56.914 54.840 0.082 0.000 0.744 987 L CB -0.713 41.385 42.059 0.065 0.000 0.895 987 L HN 0.453 nan 8.230 nan 0.000 0.433 988 K N -1.532 118.909 120.400 0.068 0.000 1.844 988 K HA -0.343 -5.586 4.320 -15.939 0.000 0.160 988 K C 0.867 177.496 176.600 0.049 0.000 1.448 988 K CA 1.675 57.993 56.287 0.052 0.000 0.446 988 K CB -1.861 30.660 32.500 0.035 0.000 0.635 988 K HN 0.387 nan 8.250 nan 0.000 0.848 989 D N 1.317 121.725 120.400 0.013 0.000 2.491 989 D HA 0.261 -4.662 4.640 -15.939 0.000 0.228 989 D C 0.192 176.444 176.300 -0.080 0.000 1.183 989 D CA 0.637 54.623 54.000 -0.023 0.000 0.827 989 D CB 0.538 41.307 40.800 -0.053 0.000 0.989 989 D HN 0.431 nan 8.370 nan 0.000 0.494 990 S N -0.330 115.353 115.700 -0.029 0.000 2.593 990 S HA 0.034 -5.059 4.470 -15.939 0.000 0.300 990 S C 1.053 175.599 174.600 -0.090 0.000 1.267 990 S CA 0.331 58.506 58.200 -0.042 0.000 1.065 990 S CB 0.572 63.790 63.200 0.030 0.000 0.807 990 S HN 0.483 nan 8.310 nan 0.000 0.499 991 K N 2.684 122.962 120.400 -0.203 0.000 2.373 991 K HA 0.128 -5.116 4.320 -15.939 0.000 0.202 991 K C 0.205 176.817 176.600 0.021 0.000 1.025 991 K CA -0.307 55.798 56.287 -0.303 0.000 1.115 991 K CB 0.119 32.130 32.500 -0.816 0.000 0.858 991 K HN 0.493 nan 8.250 nan 0.000 0.525 992 N N 2.428 121.159 118.700 0.052 0.000 2.431 992 N HA 0.021 -4.802 4.740 -15.939 0.000 0.265 992 N C -2.090 173.501 175.510 0.136 0.000 1.184 992 N CA -1.658 51.456 53.050 0.105 0.000 0.943 992 N CB 1.301 39.845 38.487 0.096 0.000 1.080 992 N HN -0.132 nan 8.380 nan 0.000 0.477 993 P HA -0.069 nan 4.420 nan 0.000 0.216 993 P C 0.703 178.071 177.300 0.114 0.000 1.150 993 P CA 1.040 64.216 63.100 0.126 0.000 0.837 993 P CB 0.368 32.123 31.700 0.091 0.000 0.786 994 N N -0.572 118.195 118.700 0.113 0.000 2.166 994 N HA -0.141 -4.964 4.740 -15.939 0.000 0.186 994 N C 1.320 176.885 175.510 0.091 0.000 1.019 994 N CA 1.298 54.407 53.050 0.099 0.000 0.856 994 N CB -0.963 37.582 38.487 0.097 0.000 0.993 994 N HN 0.151 nan 8.380 nan 0.000 0.426 995 D N 0.462 120.922 120.400 0.100 0.000 2.097 995 D HA -0.010 -4.933 4.640 -15.939 0.000 0.197 995 D C 2.117 178.475 176.300 0.096 0.000 0.984 995 D CA 0.552 54.608 54.000 0.094 0.000 0.826 995 D CB -0.208 40.650 40.800 0.097 0.000 0.973 995 D HN 0.274 nan 8.370 nan 0.000 0.460 996 I N 0.636 121.293 120.570 0.144 0.000 2.202 996 I HA -0.213 -5.606 4.170 -15.939 0.000 0.242 996 I C 2.506 178.755 176.117 0.219 0.000 1.091 996 I CA 0.981 62.416 61.300 0.226 0.000 1.368 996 I CB -0.174 37.978 38.000 0.253 0.000 1.058 996 I HN -0.115 nan 8.210 nan 0.000 0.410 997 R N 0.811 121.397 120.500 0.143 0.000 2.096 997 R HA -0.125 -5.348 4.340 -15.939 0.000 0.235 997 R C 2.449 178.787 176.300 0.063 0.000 1.127 997 R CA 1.448 57.612 56.100 0.107 0.000 0.968 997 R CB -0.455 29.888 30.300 0.071 0.000 0.861 997 R HN 0.387 nan 8.270 nan 0.000 0.440 998 A N 0.567 123.409 122.820 0.037 0.000 1.930 998 A HA -0.092 -5.336 4.320 -15.939 0.000 0.217 998 A C 2.306 179.846 177.584 -0.072 0.000 1.175 998 A CA 1.225 53.259 52.037 -0.006 0.000 0.627 998 A CB -0.341 18.669 19.000 0.018 0.000 0.815 998 A HN 0.114 nan 8.150 nan 0.000 0.443 999 V N -1.855 117.972 119.914 -0.145 0.000 2.453 999 V HA -0.201 -5.644 4.120 -15.939 0.000 0.247 999 V C 2.183 178.003 176.094 -0.457 0.000 1.048 999 V CA 1.821 63.884 62.300 -0.394 0.000 1.049 999 V CB -0.816 30.610 31.823 -0.661 0.000 0.672 999 V HN 0.676 nan 8.190 nan 0.000 0.457 1000 Y N -1.525 118.791 120.300 0.028 0.000 2.559 1000 Y HA 0.267 -4.746 4.550 -15.939 0.000 0.279 1000 Y C 2.014 177.940 175.900 0.044 0.000 1.117 1000 Y CA 0.070 58.205 58.100 0.058 0.000 1.263 1000 Y CB -0.212 38.287 38.460 0.065 0.000 1.230 1000 Y HN 0.023 nan 8.280 nan 0.000 0.528 1001 L N 0.297 121.595 121.223 0.125 0.000 2.027 1001 L HA -0.109 -5.332 4.340 -15.939 0.000 0.206 1001 L C -0.602 176.233 176.870 -0.057 0.000 1.074 1001 L CA 1.248 56.093 54.840 0.008 0.000 0.745 1001 L CB -1.530 40.529 42.059 -0.000 0.000 0.898 1001 L HN 0.159 nan 8.230 nan 0.000 0.433 1002 P HA -0.215 nan 4.420 nan 0.000 0.217 1002 P C 1.560 178.827 177.300 -0.055 0.000 1.150 1002 P CA 1.158 64.222 63.100 -0.060 0.000 0.832 1002 P CB -0.114 31.552 31.700 -0.057 0.000 0.787 1003 F N 1.493 121.354 119.950 -0.149 0.000 2.192 1003 F HA -0.228 -5.264 4.527 -15.938 0.000 0.301 1003 F C 1.836 177.507 175.800 -0.216 0.000 1.079 1003 F CA 2.150 60.056 58.000 -0.156 0.000 1.303 1003 F CB -1.399 37.517 39.000 -0.139 0.000 1.024 1003 F HN -0.041 nan 8.300 nan 0.000 0.494 1004 T N -2.502 111.650 114.554 -0.669 0.000 3.051 1004 T HA -0.124 -5.337 4.350 -15.939 0.000 0.269 1004 T C 1.323 175.607 174.700 -0.693 0.000 1.127 1004 T CA 1.472 62.809 62.100 -1.272 0.000 1.107 1004 T CB -1.068 67.041 68.868 -1.265 0.000 0.898 1004 T HN 0.499 nan 8.240 nan 0.000 0.517 1005 N N 1.325 119.812 118.700 -0.354 0.000 2.398 1005 N HA 0.068 -4.755 4.740 -15.939 0.000 0.188 1005 N C 0.353 175.815 175.510 -0.081 0.000 1.122 1005 N CA -0.204 52.758 53.050 -0.146 0.000 0.866 1005 N CB -0.012 38.419 38.487 -0.092 0.000 0.970 1005 N HN 0.244 nan 8.380 nan 0.000 0.462 1006 N N 2.031 120.634 118.700 -0.162 0.000 2.421 1006 N HA -0.022 -4.845 4.740 -15.939 0.000 0.260 1006 N C 0.836 176.377 175.510 0.051 0.000 1.173 1006 N CA -0.100 52.909 53.050 -0.070 0.000 0.960 1006 N CB 0.586 39.005 38.487 -0.114 0.000 1.273 1006 N HN 0.156 nan 8.380 nan 0.000 0.497 1007 L N 5.243 126.535 121.223 0.115 0.000 1.990 1007 L HA -0.141 -5.364 4.340 -15.939 0.000 0.213 1007 L C 2.250 179.237 176.870 0.196 0.000 1.072 1007 L CA 1.808 56.770 54.840 0.203 0.000 0.755 1007 L CB -0.267 41.865 42.059 0.123 0.000 0.889 1007 L HN 0.521 nan 8.230 nan 0.000 0.432 1008 R N -1.380 119.190 120.500 0.118 0.000 2.075 1008 R HA -0.072 -5.295 4.340 -15.939 0.000 0.232 1008 R C 2.263 178.629 176.300 0.110 0.000 1.126 1008 R CA 1.301 57.460 56.100 0.099 0.000 0.963 1008 R CB -0.115 30.229 30.300 0.073 0.000 0.858 1008 R HN 0.358 nan 8.270 nan 0.000 0.435 1009 R N -0.827 119.743 120.500 0.116 0.000 2.123 1009 R HA 0.017 -5.206 4.340 -15.939 0.000 0.209 1009 R C 2.045 178.450 176.300 0.176 0.000 1.078 1009 R CA 0.538 56.755 56.100 0.195 0.000 1.028 1009 R CB -0.651 29.797 30.300 0.246 0.000 0.939 1009 R HN 0.170 nan 8.270 nan 0.000 0.463 1010 F N 2.213 121.996 119.950 -0.278 0.000 2.171 1010 F HA -0.135 -5.171 4.527 -15.939 0.000 0.300 1010 F C 1.612 177.164 175.800 -0.414 0.000 1.090 1010 F CA 1.493 59.164 58.000 -0.549 0.000 1.293 1010 F CB -0.165 38.260 39.000 -0.957 0.000 1.013 1010 F HN 0.060 nan 8.300 nan 0.000 0.486 1011 H N 0.493 119.381 119.070 -0.303 0.000 2.645 1011 H HA 0.055 -4.952 4.556 -15.939 0.000 0.300 1011 H C 0.087 175.243 175.328 -0.287 0.000 1.065 1011 H CA 0.075 55.917 56.048 -0.342 0.000 1.173 1011 H CB -1.087 28.673 29.762 -0.003 0.000 1.383 1011 H HN 0.279 nan 8.280 nan 0.000 0.566 1012 D N 1.267 121.544 120.400 -0.205 0.000 2.583 1012 D HA -0.125 -5.049 4.640 -15.939 0.000 0.232 1012 D C 1.284 177.462 176.300 -0.203 0.000 1.128 1012 D CA -0.046 53.875 54.000 -0.132 0.000 0.859 1012 D CB 0.885 41.631 40.800 -0.091 0.000 1.169 1012 D HN 0.158 nan 8.370 nan 0.000 0.481 1013 I N 3.499 124.012 120.570 -0.094 0.000 2.916 1013 I HA -0.223 -5.616 4.170 -15.939 0.000 0.267 1013 I C 2.251 178.330 176.117 -0.063 0.000 1.263 1013 I CA 1.027 62.296 61.300 -0.053 0.000 1.471 1013 I CB -0.281 37.713 38.000 -0.010 0.000 1.089 1013 I HN 0.425 nan 8.210 nan 0.000 0.468 1014 S N -0.117 115.520 115.700 -0.105 0.000 2.481 1014 S HA 0.126 -4.968 4.470 -15.939 0.000 0.231 1014 S C 1.866 176.405 174.600 -0.102 0.000 0.996 1014 S CA 0.434 58.578 58.200 -0.093 0.000 0.942 1014 S CB -0.621 62.510 63.200 -0.116 0.000 0.768 1014 S HN 0.733 nan 8.310 nan 0.000 0.520 1015 G N 2.506 111.183 108.800 -0.205 0.000 2.159 1015 G HA2 -0.383 -5.986 3.960 -15.939 0.000 0.256 1015 G HA3 -0.383 -5.986 3.960 -15.939 0.000 0.256 1015 G C 0.775 175.547 174.900 -0.214 0.000 0.977 1015 G CA 0.603 45.560 45.100 -0.239 0.000 0.652 1015 G HN 0.762 nan 8.290 nan 0.000 0.531 1016 K N -0.062 120.203 120.400 -0.225 0.000 2.147 1016 K HA 0.077 -5.167 4.320 -15.939 0.000 0.205 1016 K C 2.407 179.013 176.600 0.011 0.000 1.049 1016 K CA 1.675 57.869 56.287 -0.155 0.000 0.936 1016 K CB -0.583 31.715 32.500 -0.336 0.000 0.722 1016 K HN 0.566 nan 8.250 nan 0.000 0.446 1017 G N 0.505 109.284 108.800 -0.035 0.000 2.403 1017 G HA2 -0.177 -5.780 3.960 -15.939 0.000 0.216 1017 G HA3 -0.177 -5.780 3.960 -15.939 0.000 0.216 1017 G C 0.957 175.938 174.900 0.136 0.000 1.154 1017 G CA 0.385 45.612 45.100 0.210 0.000 0.784 1017 G HN 0.243 nan 8.290 nan 0.000 0.538 1018 Y N 1.175 121.405 120.300 -0.117 0.000 2.200 1018 Y HA -0.046 -5.059 4.550 -15.938 0.000 0.290 1018 Y C 2.906 178.957 175.900 0.252 0.000 1.137 1018 Y CA 0.785 58.907 58.100 0.038 0.000 1.163 1018 Y CB -1.178 37.308 38.460 0.044 0.000 0.988 1018 Y HN 0.206 nan 8.280 nan 0.000 0.518 1019 K N 0.786 121.363 120.400 0.294 0.000 2.032 1019 K HA -0.177 -5.420 4.320 -15.939 0.000 0.209 1019 K C 2.227 178.949 176.600 0.202 0.000 1.048 1019 K CA 1.301 57.712 56.287 0.207 0.000 0.927 1019 K CB -1.116 31.453 32.500 0.115 0.000 0.712 1019 K HN 0.382 nan 8.250 nan 0.000 0.441 1020 L N 0.689 122.052 121.223 0.233 0.000 1.994 1020 L HA -0.055 -5.278 4.340 -15.939 0.000 0.208 1020 L C 2.316 179.286 176.870 0.167 0.000 1.071 1020 L CA 1.903 56.871 54.840 0.214 0.000 0.745 1020 L CB -0.483 41.765 42.059 0.315 0.000 0.892 1020 L HN 0.283 nan 8.230 nan 0.000 0.431 1021 I N 0.264 121.011 120.570 0.296 0.000 2.179 1021 I HA -0.249 -5.643 4.170 -15.939 0.000 0.242 1021 I C 2.744 178.992 176.117 0.218 0.000 1.088 1021 I CA 1.488 62.933 61.300 0.242 0.000 1.357 1021 I CB -2.108 36.121 38.000 0.383 0.000 1.051 1021 I HN 0.384 nan 8.210 nan 0.000 0.409 1022 A N 0.601 123.613 122.820 0.320 0.000 1.908 1022 A HA -0.229 -5.473 4.320 -15.939 0.000 0.218 1022 A C 2.268 179.888 177.584 0.059 0.000 1.181 1022 A CA 1.758 53.902 52.037 0.178 0.000 0.627 1022 A CB -0.689 18.398 19.000 0.146 0.000 0.818 1022 A HN 0.496 nan 8.150 nan 0.000 0.445 1023 E N -0.489 119.744 120.200 0.054 0.000 2.085 1023 E HA -0.136 -5.349 4.350 -15.939 0.000 0.194 1023 E C 1.979 178.555 176.600 -0.040 0.000 0.994 1023 E CA 1.375 57.781 56.400 0.010 0.000 0.801 1023 E CB -0.271 29.444 29.700 0.024 0.000 0.743 1023 E HN 0.426 nan 8.360 nan 0.000 0.453 1024 V N 1.230 121.081 119.914 -0.106 0.000 2.358 1024 V HA -0.251 -5.694 4.120 -15.939 0.000 0.246 1024 V C 2.208 178.227 176.094 -0.125 0.000 1.047 1024 V CA 1.483 63.662 62.300 -0.202 0.000 1.035 1024 V CB -0.402 31.080 31.823 -0.567 0.000 0.658 1024 V HN 0.247 nan 8.190 nan 0.000 0.452 1025 I N 0.092 120.617 120.570 -0.076 0.000 2.163 1025 I HA -0.265 -5.659 4.170 -15.939 0.000 0.243 1025 I C 2.581 178.639 176.117 -0.099 0.000 1.085 1025 I CA 2.048 63.305 61.300 -0.072 0.000 1.347 1025 I CB -0.718 37.271 38.000 -0.018 0.000 1.044 1025 I HN 0.284 nan 8.210 nan 0.000 0.408 1026 T N 0.327 114.838 114.554 -0.070 0.000 2.746 1026 T HA -0.227 -5.440 4.350 -15.939 0.000 0.267 1026 T C 1.947 176.605 174.700 -0.070 0.000 1.039 1026 T CA 1.412 63.472 62.100 -0.067 0.000 1.142 1026 T CB -0.176 68.668 68.868 -0.040 0.000 0.866 1026 T HN 0.291 nan 8.240 nan 0.000 0.444 1027 K N 0.414 120.782 120.400 -0.052 0.000 2.026 1027 K HA -0.121 -5.364 4.320 -15.939 0.000 0.208 1027 K C 2.294 178.836 176.600 -0.096 0.000 1.048 1027 K CA 1.525 57.805 56.287 -0.011 0.000 0.929 1027 K CB -0.222 32.300 32.500 0.037 0.000 0.713 1027 K HN 0.240 nan 8.250 nan 0.000 0.439 1028 T N 0.849 115.261 114.554 -0.236 0.000 2.821 1028 T HA -0.144 -5.357 4.350 -15.939 0.000 0.267 1028 T C 1.294 175.536 174.700 -0.764 0.000 1.046 1028 T CA 1.637 63.342 62.100 -0.659 0.000 1.139 1028 T CB -0.374 68.262 68.868 -0.386 0.000 0.871 1028 T HN 0.377 nan 8.240 nan 0.000 0.454 1029 D N 0.935 121.110 120.400 -0.375 0.000 2.221 1029 D HA -0.074 -4.997 4.640 -15.939 0.000 0.204 1029 D C 2.015 178.186 176.300 -0.215 0.000 0.982 1029 D CA 0.937 54.777 54.000 -0.267 0.000 0.857 1029 D CB -0.038 40.668 40.800 -0.157 0.000 0.934 1029 D HN 0.320 nan 8.370 nan 0.000 0.475 1030 K N -1.102 119.192 120.400 -0.178 0.000 2.147 1030 K HA -0.111 -5.354 4.320 -15.939 0.000 0.205 1030 K C 1.553 178.194 176.600 0.068 0.000 1.049 1030 K CA 1.374 57.648 56.287 -0.022 0.000 0.936 1030 K CB -0.152 32.393 32.500 0.075 0.000 0.722 1030 K HN 0.428 nan 8.250 nan 0.000 0.446 1031 F N -2.703 117.261 119.950 0.024 0.000 2.778 1031 F HA 0.360 -4.677 4.527 -15.939 0.000 0.314 1031 F C 0.224 176.044 175.800 0.034 0.000 1.073 1031 F CA -0.829 57.211 58.000 0.066 0.000 1.218 1031 F CB 0.452 39.509 39.000 0.095 0.000 1.037 1031 F HN -0.252 nan 8.300 nan 0.000 0.594 1032 N N 1.365 119.840 118.700 -0.375 0.000 2.710 1032 N HA 0.301 -4.523 4.740 -15.939 0.000 0.244 1032 N C -2.505 172.846 175.510 -0.265 0.000 1.321 1032 N CA -1.843 51.073 53.050 -0.224 0.000 0.758 1032 N CB 1.289 39.693 38.487 -0.138 0.000 1.284 1032 N HN -0.165 nan 8.380 nan 0.000 0.530 1033 P HA -0.132 nan 4.420 nan 0.000 0.216 1033 P C 1.711 178.909 177.300 -0.170 0.000 1.150 1033 P CA 1.094 64.094 63.100 -0.166 0.000 0.837 1033 P CB 0.380 32.010 31.700 -0.117 0.000 0.786 1034 M N -0.777 118.721 119.600 -0.169 0.000 2.067 1034 M HA -0.147 -5.230 4.480 -15.939 0.000 0.260 1034 M C 1.684 177.878 176.300 -0.176 0.000 1.069 1034 M CA 2.020 57.214 55.300 -0.176 0.000 1.117 1034 M CB -0.663 31.824 32.600 -0.189 0.000 1.334 1034 M HN -0.254 nan 8.290 nan 0.000 0.407 1035 V N 0.953 120.770 119.914 -0.162 0.000 2.427 1035 V HA -0.201 -5.644 4.120 -15.939 0.000 0.248 1035 V C 2.722 178.730 176.094 -0.145 0.000 1.051 1035 V CA 1.694 63.916 62.300 -0.130 0.000 1.048 1035 V CB -1.508 30.262 31.823 -0.088 0.000 0.666 1035 V HN 0.674 nan 8.190 nan 0.000 0.456 1036 A N -0.011 122.695 122.820 -0.189 0.000 1.908 1036 A HA -0.252 -5.495 4.320 -15.939 0.000 0.218 1036 A C 2.404 179.888 177.584 -0.167 0.000 1.181 1036 A CA 2.634 54.565 52.037 -0.177 0.000 0.627 1036 A CB -0.955 17.924 19.000 -0.201 0.000 0.818 1036 A HN 0.504 nan 8.150 nan 0.000 0.445 1037 T N -0.105 114.315 114.554 -0.224 0.000 2.821 1037 T HA -0.147 -5.360 4.350 -15.939 0.000 0.267 1037 T C 2.027 176.507 174.700 -0.366 0.000 1.046 1037 T CA 1.616 63.488 62.100 -0.379 0.000 1.139 1037 T CB -0.251 68.343 68.868 -0.456 0.000 0.871 1037 T HN 0.634 nan 8.240 nan 0.000 0.454 1038 Q N 0.516 120.183 119.800 -0.223 0.000 2.135 1038 Q HA 0.007 -5.217 4.340 -15.939 0.000 0.204 1038 Q C 2.127 178.088 176.000 -0.065 0.000 0.981 1038 Q CA 1.091 56.814 55.803 -0.132 0.000 0.856 1038 Q CB -0.422 28.263 28.738 -0.088 0.000 0.902 1038 Q HN 0.468 nan 8.270 nan 0.000 0.425 1039 L N -0.459 120.733 121.223 -0.051 0.000 2.551 1039 L HA -0.112 -5.335 4.340 -15.939 0.000 0.228 1039 L C 1.799 178.724 176.870 0.091 0.000 1.153 1039 L CA 0.048 54.895 54.840 0.012 0.000 0.851 1039 L CB -0.093 41.967 42.059 0.001 0.000 0.959 1039 L HN 0.333 nan 8.230 nan 0.000 0.451 1040 C N -1.062 118.292 119.300 0.090 0.000 2.522 1040 C HA -0.087 -5.190 4.460 -15.939 0.000 0.271 1040 C C 2.808 178.011 174.990 0.355 0.000 1.425 1040 C CA 0.504 59.698 59.018 0.293 0.000 1.751 1040 C CB -0.593 27.285 27.740 0.229 0.000 1.775 1040 C HN 0.544 nan 8.230 nan 0.000 0.557 1041 E N 1.971 122.282 120.200 0.186 0.000 2.130 1041 E HA -0.194 -5.408 4.350 -15.939 0.000 0.196 1041 E C -0.439 176.249 176.600 0.146 0.000 0.998 1041 E CA 1.873 58.375 56.400 0.170 0.000 0.806 1041 E CB -1.243 28.504 29.700 0.079 0.000 0.738 1041 E HN 0.659 nan 8.360 nan 0.000 0.459 1042 P HA -0.110 nan 4.420 nan 0.000 0.216 1042 P C 0.913 178.236 177.300 0.040 0.000 1.150 1042 P CA 1.287 64.348 63.100 -0.065 0.000 0.843 1042 P CB -0.274 31.229 31.700 -0.329 0.000 0.787 1043 F N -0.430 119.651 119.950 0.219 0.000 2.748 1043 F HA 0.038 -4.999 4.527 -15.940 0.000 0.299 1043 F C 1.916 177.896 175.800 0.300 0.000 1.154 1043 F CA 0.769 58.901 58.000 0.220 0.000 1.446 1043 F CB -0.717 38.364 39.000 0.136 0.000 1.112 1043 F HN -0.141 nan 8.300 nan 0.000 0.584 1044 K N 0.389 121.025 120.400 0.394 0.000 2.209 1044 K HA -0.135 -5.378 4.320 -15.939 0.000 0.204 1044 K C 1.300 178.046 176.600 0.243 0.000 1.048 1044 K CA 1.179 57.656 56.287 0.316 0.000 0.940 1044 K CB -0.283 32.361 32.500 0.240 0.000 0.729 1044 K HN 0.274 nan 8.250 nan 0.000 0.451 1045 L N -1.172 120.177 121.223 0.211 0.000 2.653 1045 L HA 0.131 -5.092 4.340 -15.939 0.000 0.231 1045 L C 1.592 178.503 176.870 0.068 0.000 1.153 1045 L CA -0.338 54.558 54.840 0.093 0.000 0.933 1045 L CB -1.378 40.734 42.059 0.088 0.000 1.175 1045 L HN 0.230 nan 8.230 nan 0.000 0.473 1046 W N 2.275 123.624 121.300 0.081 0.000 2.305 1046 W HA -0.280 -5.183 4.660 -15.939 0.000 0.308 1046 W C 1.228 177.766 176.519 0.031 0.000 1.226 1046 W CA 1.586 58.966 57.345 0.058 0.000 1.253 1046 W CB -1.194 28.323 29.460 0.095 0.000 1.146 1046 W HN 0.618 nan 8.180 nan 0.000 0.507 1047 N N 1.003 119.121 118.700 -0.971 0.000 2.383 1047 N HA -0.055 -4.878 4.740 -15.939 0.000 0.192 1047 N C 0.911 176.155 175.510 -0.444 0.000 1.141 1047 N CA 0.639 53.075 53.050 -1.022 0.000 0.851 1047 N CB -0.539 36.983 38.487 -1.609 0.000 0.976 1047 N HN 0.104 nan 8.380 nan 0.000 0.465 1048 K N -0.147 120.091 120.400 -0.270 0.000 2.358 1048 K HA 0.352 -4.892 4.320 -15.939 0.000 0.197 1048 K C 0.897 177.444 176.600 -0.089 0.000 1.025 1048 K CA -0.120 56.071 56.287 -0.161 0.000 1.104 1048 K CB 0.207 32.630 32.500 -0.129 0.000 0.855 1048 K HN 0.254 nan 8.250 nan 0.000 0.531 1049 L N 1.396 122.588 121.223 -0.052 0.000 2.472 1049 L HA 0.363 -4.861 4.340 -15.939 0.000 0.256 1049 L C 0.405 177.288 176.870 0.022 0.000 1.111 1049 L CA -1.021 53.818 54.840 -0.002 0.000 0.800 1049 L CB 0.438 42.522 42.059 0.042 0.000 1.286 1049 L HN 0.289 nan 8.230 nan 0.000 0.479 1050 D N -2.092 118.339 120.400 0.051 0.000 2.378 1050 D HA -0.026 -4.950 4.640 -15.939 0.000 0.238 1050 D C 1.095 177.436 176.300 0.070 0.000 1.180 1050 D CA 0.121 54.157 54.000 0.061 0.000 0.895 1050 D CB 0.559 41.400 40.800 0.069 0.000 1.192 1050 D HN 0.732 nan 8.370 nan 0.000 0.438 1051 T N -1.243 113.347 114.554 0.061 0.000 2.759 1051 T HA -0.314 -5.528 4.350 -15.939 0.000 0.269 1051 T C 1.666 176.421 174.700 0.092 0.000 1.042 1051 T CA 1.398 63.540 62.100 0.069 0.000 1.140 1051 T CB -0.335 68.565 68.868 0.053 0.000 0.864 1051 T HN 0.390 nan 8.240 nan 0.000 0.455 1052 K N 1.287 121.739 120.400 0.087 0.000 2.026 1052 K HA 0.062 -5.182 4.320 -15.939 0.000 0.208 1052 K C 2.583 179.270 176.600 0.145 0.000 1.048 1052 K CA 1.217 57.564 56.287 0.100 0.000 0.929 1052 K CB -0.301 32.248 32.500 0.081 0.000 0.713 1052 K HN 0.384 nan 8.250 nan 0.000 0.439 1053 R N -0.024 120.576 120.500 0.167 0.000 2.115 1053 R HA -0.038 -5.261 4.340 -15.939 0.000 0.226 1053 R C 2.478 178.896 176.300 0.196 0.000 1.100 1053 R CA 1.378 57.626 56.100 0.246 0.000 0.980 1053 R CB -0.141 30.322 30.300 0.271 0.000 0.875 1053 R HN 0.366 nan 8.270 nan 0.000 0.445 1054 Q N 0.376 120.289 119.800 0.189 0.000 2.077 1054 Q HA -0.254 -5.478 4.340 -15.939 0.000 0.206 1054 Q C 2.053 178.218 176.000 0.275 0.000 0.989 1054 Q CA 1.783 57.757 55.803 0.285 0.000 0.853 1054 Q CB -0.093 28.789 28.738 0.240 0.000 0.907 1054 Q HN 0.416 nan 8.270 nan 0.000 0.418 1055 E N 0.625 120.938 120.200 0.188 0.000 2.077 1055 E HA -0.190 -5.404 4.350 -15.939 0.000 0.193 1055 E C 2.050 178.716 176.600 0.110 0.000 0.989 1055 E CA 0.702 57.181 56.400 0.133 0.000 0.800 1055 E CB -0.021 29.744 29.700 0.109 0.000 0.746 1055 E HN 0.295 nan 8.360 nan 0.000 0.452 1056 L N 0.150 121.467 121.223 0.156 0.000 2.017 1056 L HA -0.205 -5.428 4.340 -15.939 0.000 0.208 1056 L C 2.811 179.779 176.870 0.163 0.000 1.073 1056 L CA 1.187 56.153 54.840 0.209 0.000 0.745 1056 L CB -0.344 41.941 42.059 0.377 0.000 0.894 1056 L HN 0.283 nan 8.230 nan 0.000 0.432 1057 M N -0.942 118.670 119.600 0.019 0.000 2.099 1057 M HA -0.215 -5.298 4.480 -15.939 0.000 0.262 1057 M C 2.345 178.602 176.300 -0.072 0.000 1.067 1057 M CA 1.502 56.794 55.300 -0.014 0.000 1.124 1057 M CB -0.354 32.236 32.600 -0.017 0.000 1.353 1057 M HN 0.219 nan 8.290 nan 0.000 0.410 1058 L N 1.288 122.425 121.223 -0.143 0.000 2.042 1058 L HA -0.230 -5.454 4.340 -15.939 0.000 0.210 1058 L C 1.862 178.597 176.870 -0.224 0.000 1.076 1058 L CA 1.942 56.572 54.840 -0.350 0.000 0.749 1058 L CB -0.983 40.902 42.059 -0.291 0.000 0.893 1058 L HN 0.263 nan 8.230 nan 0.000 0.432 1059 N N -0.264 118.381 118.700 -0.091 0.000 2.120 1059 N HA -0.163 -4.986 4.740 -15.939 0.000 0.188 1059 N C 1.729 177.194 175.510 -0.074 0.000 1.024 1059 N CA 1.370 54.386 53.050 -0.057 0.000 0.852 1059 N CB -0.266 38.224 38.487 0.006 0.000 1.003 1059 N HN 0.418 nan 8.380 nan 0.000 0.424 1060 E N 0.578 120.745 120.200 -0.055 0.000 2.072 1060 E HA -0.062 -5.276 4.350 -15.939 0.000 0.191 1060 E C 2.019 178.469 176.600 -0.251 0.000 0.985 1060 E CA 0.665 57.020 56.400 -0.075 0.000 0.801 1060 E CB -0.227 29.522 29.700 0.082 0.000 0.750 1060 E HN 0.469 nan 8.360 nan 0.000 0.452 1061 M N 0.700 120.059 119.600 -0.401 0.000 2.132 1061 M HA -0.123 -5.206 4.480 -15.939 0.000 0.263 1061 M C 1.778 177.908 176.300 -0.284 0.000 1.065 1061 M CA 0.972 55.998 55.300 -0.457 0.000 1.122 1061 M CB -0.250 32.004 32.600 -0.577 0.000 1.365 1061 M HN -0.013 nan 8.290 nan 0.000 0.411 1062 N N -0.027 118.534 118.700 -0.233 0.000 2.188 1062 N HA -0.097 -4.921 4.740 -15.939 0.000 0.184 1062 N C 1.653 177.095 175.510 -0.112 0.000 1.018 1062 N CA 1.638 54.594 53.050 -0.156 0.000 0.858 1062 N CB -0.664 37.745 38.487 -0.129 0.000 0.989 1062 N HN 0.305 nan 8.380 nan 0.000 0.426 1063 T N 1.658 116.150 114.554 -0.104 0.000 2.684 1063 T HA -0.064 -5.277 4.350 -15.939 0.000 0.267 1063 T C 2.072 176.726 174.700 -0.077 0.000 1.036 1063 T CA 1.038 63.095 62.100 -0.072 0.000 1.148 1063 T CB -0.133 68.705 68.868 -0.050 0.000 0.863 1063 T HN 0.209 nan 8.240 nan 0.000 0.436 1064 M N 0.379 119.913 119.600 -0.110 0.000 2.108 1064 M HA -0.033 -5.116 4.480 -15.939 0.000 0.261 1064 M C 2.249 178.496 176.300 -0.088 0.000 1.066 1064 M CA 1.510 56.746 55.300 -0.106 0.000 1.107 1064 M CB -0.587 31.920 32.600 -0.155 0.000 1.356 1064 M HN 0.201 nan 8.290 nan 0.000 0.406 1065 L N -0.434 120.730 121.223 -0.100 0.000 2.191 1065 L HA -0.223 -5.447 4.340 -15.939 0.000 0.212 1065 L C 2.557 179.395 176.870 -0.053 0.000 1.103 1065 L CA 1.105 55.901 54.840 -0.075 0.000 0.769 1065 L CB -0.399 41.608 42.059 -0.086 0.000 0.908 1065 L HN 0.262 nan 8.230 nan 0.000 0.438 1066 Q N -1.213 118.556 119.800 -0.052 0.000 2.432 1066 Q HA 0.001 -5.222 4.340 -15.939 0.000 0.205 1066 Q C 0.342 176.325 176.000 -0.028 0.000 0.945 1066 Q CA 0.189 55.970 55.803 -0.036 0.000 0.924 1066 Q CB -0.216 28.502 28.738 -0.034 0.000 1.016 1066 Q HN 0.389 nan 8.270 nan 0.000 0.503 1067 E N 1.261 121.442 120.200 -0.032 0.000 2.406 1067 E HA 0.004 -5.210 4.350 -15.939 0.000 0.258 1067 E C -1.772 174.817 176.600 -0.018 0.000 1.043 1067 E CA -1.466 54.920 56.400 -0.025 0.000 0.929 1067 E CB 1.019 30.701 29.700 -0.030 0.000 0.969 1067 E HN 0.198 nan 8.360 nan 0.000 0.462 1068 P HA -0.167 nan 4.420 nan 0.000 0.216 1068 P C 0.807 178.103 177.300 -0.006 0.000 1.150 1068 P CA 1.222 64.318 63.100 -0.007 0.000 0.843 1068 P CB 0.393 32.092 31.700 -0.003 0.000 0.787 1069 Q N -1.129 118.666 119.800 -0.007 0.000 2.280 1069 Q HA 0.163 -5.060 4.340 -15.939 0.000 0.201 1069 Q C 0.948 176.939 176.000 -0.015 0.000 0.890 1069 Q CA -0.550 55.249 55.803 -0.006 0.000 0.947 1069 Q CB -0.437 28.300 28.738 -0.001 0.000 1.081 1069 Q HN 0.381 nan 8.270 nan 0.000 0.502 1070 I N 2.784 123.342 120.570 -0.020 0.000 2.919 1070 I HA -0.151 -5.544 4.170 -15.939 0.000 0.303 1070 I C 0.592 176.696 176.117 -0.023 0.000 1.221 1070 I CA 0.207 61.491 61.300 -0.028 0.000 1.444 1070 I CB 0.612 38.595 38.000 -0.029 0.000 1.331 1070 I HN 0.143 nan 8.210 nan 0.000 0.572 1071 S N 5.689 121.370 115.700 -0.033 0.000 2.593 1071 S HA 0.144 -4.950 4.470 -15.939 0.000 0.269 1071 S C 0.997 175.590 174.600 -0.012 0.000 1.334 1071 S CA -0.620 57.563 58.200 -0.028 0.000 1.015 1071 S CB 1.040 64.212 63.200 -0.048 0.000 0.912 1071 S HN 0.752 nan 8.310 nan 0.000 0.541 1072 N N 2.237 120.936 118.700 -0.002 0.000 2.149 1072 N HA -0.145 -4.968 4.740 -15.939 0.000 0.188 1072 N C 2.185 177.711 175.510 0.026 0.000 1.019 1072 N CA 1.674 54.735 53.050 0.018 0.000 0.857 1072 N CB -1.682 36.822 38.487 0.029 0.000 0.997 1072 N HN 0.871 nan 8.380 nan 0.000 0.426 1073 N N 1.470 120.173 118.700 0.005 0.000 2.058 1073 N HA -0.106 -4.929 4.740 -15.939 0.000 0.191 1073 N C 1.936 177.458 175.510 0.021 0.000 1.037 1073 N CA 1.481 54.534 53.050 0.005 0.000 0.848 1073 N CB -0.768 37.692 38.487 -0.045 0.000 1.021 1073 N HN 0.084 nan 8.380 nan 0.000 0.422 1074 L N 0.549 121.764 121.223 -0.012 0.000 2.027 1074 L HA -0.013 -5.236 4.340 -15.939 0.000 0.206 1074 L C 2.437 179.336 176.870 0.049 0.000 1.074 1074 L CA 2.329 57.168 54.840 -0.001 0.000 0.745 1074 L CB -0.692 41.338 42.059 -0.048 0.000 0.898 1074 L HN 0.534 nan 8.230 nan 0.000 0.433 1075 K N -0.479 119.936 120.400 0.025 0.000 2.044 1075 K HA -0.280 -5.523 4.320 -15.939 0.000 0.210 1075 K C 2.186 178.816 176.600 0.051 0.000 1.049 1075 K CA 2.037 58.338 56.287 0.024 0.000 0.927 1075 K CB -0.359 32.149 32.500 0.013 0.000 0.713 1075 K HN 0.525 nan 8.250 nan 0.000 0.443 1076 E N -0.542 119.704 120.200 0.076 0.000 2.077 1076 E HA -0.245 -5.458 4.350 -15.939 0.000 0.193 1076 E C 1.965 178.635 176.600 0.117 0.000 0.989 1076 E CA 1.266 57.721 56.400 0.092 0.000 0.800 1076 E CB -0.256 29.510 29.700 0.110 0.000 0.746 1076 E HN 0.481 nan 8.360 nan 0.000 0.452 1077 Y N 1.141 121.449 120.300 0.014 0.000 2.145 1077 Y HA -0.171 -5.185 4.550 -15.940 0.000 0.286 1077 Y C 2.195 178.100 175.900 0.008 0.000 1.145 1077 Y CA 1.728 59.840 58.100 0.020 0.000 1.148 1077 Y CB -0.151 38.317 38.460 0.012 0.000 0.981 1077 Y HN 0.021 nan 8.280 nan 0.000 0.507 1078 L N -0.859 120.431 121.223 0.111 0.000 2.156 1078 L HA -0.197 -5.420 4.340 -15.939 0.000 0.208 1078 L C 2.330 179.157 176.870 -0.072 0.000 1.095 1078 L CA 0.753 55.582 54.840 -0.019 0.000 0.770 1078 L CB -0.517 41.515 42.059 -0.045 0.000 0.914 1078 L HN 0.279 nan 8.230 nan 0.000 0.439 1079 L N -0.538 120.666 121.223 -0.031 0.000 2.046 1079 L HA -0.206 -5.429 4.340 -15.939 0.000 0.208 1079 L C 2.864 179.725 176.870 -0.015 0.000 1.077 1079 L CA 1.359 56.185 54.840 -0.023 0.000 0.747 1079 L CB -0.426 41.634 42.059 0.003 0.000 0.896 1079 L HN 0.219 nan 8.230 nan 0.000 0.432 1080 R N -0.550 119.935 120.500 -0.025 0.000 2.075 1080 R HA -0.162 -5.386 4.340 -15.939 0.000 0.232 1080 R C 2.179 178.467 176.300 -0.021 0.000 1.126 1080 R CA 1.079 57.165 56.100 -0.023 0.000 0.963 1080 R CB -0.491 29.781 30.300 -0.047 0.000 0.858 1080 R HN 0.167 nan 8.270 nan 0.000 0.435 1081 L N 1.186 122.354 121.223 -0.091 0.000 2.083 1081 L HA -0.118 -5.341 4.340 -15.939 0.000 0.209 1081 L C 1.971 178.964 176.870 0.204 0.000 1.083 1081 L CA 2.114 56.962 54.840 0.013 0.000 0.752 1081 L CB -0.571 41.428 42.059 -0.101 0.000 0.899 1081 L HN 0.246 nan 8.230 nan 0.000 0.433 1082 T N -4.147 110.412 114.554 0.007 0.000 3.188 1082 T HA 0.110 -5.103 4.350 -15.939 0.000 0.250 1082 T C 0.791 175.563 174.700 0.120 0.000 1.077 1082 T CA 0.075 62.147 62.100 -0.048 0.000 0.967 1082 T CB -0.561 68.146 68.868 -0.269 0.000 1.006 1082 T HN 0.387 nan 8.240 nan 0.000 0.552 1083 N N 0.877 119.661 118.700 0.141 0.000 2.740 1083 N HA -0.136 -4.960 4.740 -15.939 0.000 0.248 1083 N C 0.068 175.621 175.510 0.071 0.000 1.062 1083 N CA 1.361 54.482 53.050 0.118 0.000 0.704 1083 N CB -1.541 37.044 38.487 0.164 0.000 0.968 1083 N HN 0.969 nan 8.380 nan 0.000 0.547 1084 K N 0.000 120.423 120.400 0.038 0.000 2.780 1084 K HA 0.000 -5.243 4.320 -15.939 0.000 0.191 1084 K CA 0.000 56.301 56.287 0.023 0.000 0.838 1084 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 1084 K HN 0.000 nan 8.250 nan 0.000 0.543