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 2vf4_1_X DATA FIRST_RESID 243 DATA SEQUENCE GDKGIYRHYM QKEIYEQPNA IKNTLTGRIS HGQVDLSELG PNADELLSKV DATA SEQUENCE EHIQILACGT SYNSGMVSRY WFESLAGIPC DVEIASEFRY RKSAVRRNSL DATA SEQUENCE MITLSQSGET ADTLAGLRLS KELGYLGSLA ICNVPGSSLV RESDLALMTN DATA SEQUENCE AGTEIGVAST KAFTTQLTVL LMLVAKLSRL KGLDASIEHD IVHGLQALPS DATA SEQUENCE RIEQMLSQDK RIEALAEDFS DKHHALFLGR GDQYPIALEG ALKLKEISYI DATA SEQUENCE HAEAYAAGEL KHGPLALIDA DMPVIVVAPN NELLEKLKSN IEEVRARGGQ DATA SEQUENCE LYVFADQDAG FVSSDNMHII EMPHVEEVIA PIFYTVPLQL LAYHVALIKG DATA SEQUENCE TDVDQPRNL 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 243 G HA2 0.000 nan 3.960 nan 0.000 0.244 243 G HA3 0.000 3.969 3.960 0.014 0.000 0.244 243 G C 0.000 175.048 174.900 0.246 0.000 0.946 243 G CA 0.000 45.169 45.100 0.115 0.000 0.502 244 D N 1.322 121.842 120.400 0.201 0.000 2.168 244 D HA 0.404 5.053 4.640 0.014 0.000 0.246 244 D C 1.272 177.660 176.300 0.146 0.000 1.050 244 D CA -0.723 53.374 54.000 0.161 0.000 0.857 244 D CB 1.820 42.675 40.800 0.091 0.000 1.169 244 D HN 0.212 nan 8.370 nan 0.000 0.453 245 K N 2.304 122.724 120.400 0.034 0.000 2.097 245 K HA 0.076 4.405 4.320 0.014 0.000 0.205 245 K C 1.234 177.862 176.600 0.047 0.000 1.050 245 K CA 1.105 57.335 56.287 -0.095 0.000 0.938 245 K CB -0.409 31.948 32.500 -0.238 0.000 0.718 245 K HN 0.736 nan 8.250 nan 0.000 0.442 246 G N 0.840 109.660 108.800 0.034 0.000 2.550 246 G HA2 -0.388 3.580 3.960 0.014 0.000 0.277 246 G HA3 -0.388 3.580 3.960 0.014 0.000 0.277 246 G C 0.813 175.689 174.900 -0.040 0.000 1.190 246 G CA 0.409 45.525 45.100 0.028 0.000 0.971 246 G HN 0.435 nan 8.290 nan 0.000 0.559 247 I N -1.623 118.860 120.570 -0.146 0.000 2.394 247 I HA 0.201 4.380 4.170 0.014 0.000 0.251 247 I C 1.551 177.451 176.117 -0.362 0.000 1.136 247 I CA 0.792 61.894 61.300 -0.330 0.000 1.425 247 I CB -0.332 37.388 38.000 -0.466 0.000 1.079 247 I HN 0.369 nan 8.210 nan 0.000 0.425 248 Y N 1.146 121.389 120.300 -0.093 0.000 2.357 248 Y HA 0.220 4.778 4.550 0.014 0.000 0.340 248 Y C 1.903 177.726 175.900 -0.129 0.000 1.260 248 Y CA -0.090 57.954 58.100 -0.093 0.000 1.425 248 Y CB 0.304 38.716 38.460 -0.079 0.000 1.326 248 Y HN -0.077 nan 8.280 nan 0.000 0.580 249 R N -0.183 120.365 120.500 0.081 0.000 2.075 249 R HA 0.006 4.355 4.340 0.014 0.000 0.226 249 R C -0.349 175.731 176.300 -0.366 0.000 1.114 249 R CA 0.977 56.995 56.100 -0.136 0.000 0.972 249 R CB 0.162 30.423 30.300 -0.066 0.000 0.869 249 R HN 0.695 nan 8.270 nan 0.000 0.437 250 H N -2.416 116.669 119.070 0.026 0.000 2.895 250 H HA 0.076 4.641 4.556 0.015 0.000 0.373 250 H C -0.116 175.106 175.328 -0.177 0.000 1.174 250 H CA -0.732 55.271 56.048 -0.075 0.000 1.144 250 H CB 1.130 30.937 29.762 0.075 0.000 1.793 250 H HN -0.012 nan 8.280 nan 0.000 0.551 251 Y N 0.343 120.707 120.300 0.106 0.000 2.193 251 Y HA -0.258 4.300 4.550 0.014 0.000 0.285 251 Y C 2.830 178.672 175.900 -0.096 0.000 1.166 251 Y CA 1.484 59.579 58.100 -0.009 0.000 1.181 251 Y CB -0.102 38.362 38.460 0.007 0.000 0.976 251 Y HN 0.562 nan 8.280 nan 0.000 0.520 252 M N -0.303 119.332 119.600 0.058 0.000 2.099 252 M HA -0.291 4.198 4.480 0.014 0.000 0.262 252 M C 2.428 178.530 176.300 -0.330 0.000 1.067 252 M CA 1.776 57.008 55.300 -0.114 0.000 1.124 252 M CB -0.286 32.246 32.600 -0.113 0.000 1.353 252 M HN 0.363 nan 8.290 nan 0.000 0.410 253 Q N 0.553 120.066 119.800 -0.478 0.000 2.014 253 Q HA -0.320 4.029 4.340 0.014 0.000 0.207 253 Q C 1.945 177.677 176.000 -0.447 0.000 0.993 253 Q CA 2.572 58.036 55.803 -0.565 0.000 0.850 253 Q CB -0.226 28.331 28.738 -0.301 0.000 0.916 253 Q HN 0.445 nan 8.270 nan 0.000 0.417 254 K N 0.289 120.308 120.400 -0.636 0.000 2.034 254 K HA -0.258 4.071 4.320 0.014 0.000 0.214 254 K C 1.836 178.147 176.600 -0.481 0.000 1.051 254 K CA 2.252 57.935 56.287 -1.006 0.000 0.931 254 K CB -0.096 32.065 32.500 -0.566 0.000 0.715 254 K HN 0.273 nan 8.250 nan 0.000 0.446 255 E N 0.235 120.280 120.200 -0.259 0.000 2.118 255 E HA -0.187 4.172 4.350 0.014 0.000 0.195 255 E C 1.979 178.469 176.600 -0.183 0.000 0.992 255 E CA 1.665 57.970 56.400 -0.159 0.000 0.804 255 E CB -0.086 29.554 29.700 -0.101 0.000 0.741 255 E HN 0.393 nan 8.360 nan 0.000 0.458 256 I N -0.227 120.180 120.570 -0.272 0.000 2.163 256 I HA -0.269 3.910 4.170 0.014 0.000 0.240 256 I C 1.891 177.812 176.117 -0.327 0.000 1.081 256 I CA 1.415 62.516 61.300 -0.331 0.000 1.353 256 I CB -0.637 37.067 38.000 -0.493 0.000 1.054 256 I HN 0.170 nan 8.210 nan 0.000 0.407 257 Y N 1.344 121.524 120.300 -0.201 0.000 2.274 257 Y HA -0.182 4.376 4.550 0.014 0.000 0.290 257 Y C 2.394 178.263 175.900 -0.051 0.000 1.145 257 Y CA 1.035 59.086 58.100 -0.082 0.000 1.203 257 Y CB -0.312 38.182 38.460 0.055 0.000 0.984 257 Y HN 0.219 nan 8.280 nan 0.000 0.533 258 E N -0.143 120.055 120.200 -0.003 0.000 2.515 258 E HA -0.202 4.157 4.350 0.014 0.000 0.201 258 E C 1.818 178.421 176.600 0.005 0.000 1.071 258 E CA 0.271 56.679 56.400 0.014 0.000 0.880 258 E CB -0.053 29.636 29.700 -0.017 0.000 0.828 258 E HN 0.574 nan 8.360 nan 0.000 0.540 259 Q N 0.335 120.120 119.800 -0.024 0.000 2.030 259 Q HA -0.148 4.201 4.340 0.014 0.000 0.204 259 Q C -0.665 175.340 176.000 0.010 0.000 0.986 259 Q CA 1.931 57.722 55.803 -0.020 0.000 0.843 259 Q CB -0.613 28.097 28.738 -0.046 0.000 0.904 259 Q HN 0.292 nan 8.270 nan 0.000 0.420 260 P HA -0.202 nan 4.420 nan 0.000 0.214 260 P C 0.443 177.763 177.300 0.033 0.000 1.163 260 P CA 1.506 64.629 63.100 0.038 0.000 0.889 260 P CB -0.097 31.636 31.700 0.055 0.000 0.790 261 N N 0.293 119.016 118.700 0.038 0.000 1.997 261 N HA -0.186 4.563 4.740 0.014 0.000 0.198 261 N C 2.086 177.609 175.510 0.022 0.000 1.070 261 N CA 2.014 55.084 53.050 0.033 0.000 0.864 261 N CB -1.515 36.996 38.487 0.040 0.000 1.066 261 N HN 0.048 nan 8.380 nan 0.000 0.425 262 A N 1.113 123.944 122.820 0.018 0.000 1.935 262 A HA -0.282 4.047 4.320 0.014 0.000 0.224 262 A C 2.298 179.887 177.584 0.008 0.000 1.324 262 A CA 2.315 54.359 52.037 0.011 0.000 0.686 262 A CB -1.434 17.569 19.000 0.006 0.000 0.837 262 A HN 0.449 nan 8.150 nan 0.000 0.481 263 I N -1.262 119.314 120.570 0.010 0.000 2.423 263 I HA -0.286 3.892 4.170 0.014 0.000 0.254 263 I C 2.455 178.576 176.117 0.006 0.000 1.151 263 I CA 1.770 63.074 61.300 0.007 0.000 1.421 263 I CB -0.397 37.611 38.000 0.013 0.000 1.079 263 I HN 0.373 nan 8.210 nan 0.000 0.431 264 K N 1.247 121.654 120.400 0.011 0.000 1.969 264 K HA -0.188 4.141 4.320 0.014 0.000 0.216 264 K C 1.941 178.544 176.600 0.006 0.000 1.048 264 K CA 1.986 58.279 56.287 0.010 0.000 0.948 264 K CB -0.186 32.324 32.500 0.016 0.000 0.726 264 K HN 0.345 nan 8.250 nan 0.000 0.442 265 N N 0.095 118.799 118.700 0.007 0.000 2.091 265 N HA -0.157 4.592 4.740 0.014 0.000 0.193 265 N C 1.353 176.863 175.510 0.000 0.000 1.021 265 N CA 1.745 54.798 53.050 0.005 0.000 0.862 265 N CB -0.556 37.934 38.487 0.007 0.000 1.018 265 N HN 0.229 nan 8.380 nan 0.000 0.429 266 T N 1.038 115.591 114.554 -0.003 0.000 3.308 266 T HA 0.159 4.517 4.350 0.014 0.000 0.255 266 T C 1.695 176.388 174.700 -0.013 0.000 1.162 266 T CA 0.332 62.428 62.100 -0.008 0.000 1.031 266 T CB 0.122 68.983 68.868 -0.010 0.000 0.973 266 T HN 0.220 nan 8.240 nan 0.000 0.544 267 L N -0.577 120.641 121.223 -0.009 0.000 2.806 267 L HA 0.148 4.497 4.340 0.014 0.000 0.242 267 L C 0.611 177.478 176.870 -0.006 0.000 1.068 267 L CA 0.081 54.914 54.840 -0.012 0.000 0.923 267 L CB 0.014 42.066 42.059 -0.012 0.000 1.364 267 L HN 0.011 nan 8.230 nan 0.000 0.511 268 T N 1.991 116.544 114.554 -0.001 0.000 2.666 268 T HA 0.141 4.500 4.350 0.014 0.000 0.265 268 T C 1.125 175.826 174.700 0.001 0.000 1.009 268 T CA 1.192 63.293 62.100 0.002 0.000 1.238 268 T CB -0.168 68.702 68.868 0.004 0.000 0.969 268 T HN 0.619 nan 8.240 nan 0.000 0.515 269 G N 3.617 112.419 108.800 0.003 0.000 2.176 269 G HA2 -0.280 3.689 3.960 0.014 0.000 0.252 269 G HA3 -0.280 3.689 3.960 0.014 0.000 0.252 269 G C 0.935 175.836 174.900 0.002 0.000 1.024 269 G CA 0.149 45.252 45.100 0.005 0.000 0.755 269 G HN 0.668 nan 8.290 nan 0.000 0.507 270 R N -1.219 119.279 120.500 -0.003 0.000 2.369 270 R HA 0.249 4.597 4.340 0.014 0.000 0.210 270 R C 0.479 176.772 176.300 -0.011 0.000 0.881 270 R CA 0.021 56.115 56.100 -0.009 0.000 1.031 270 R CB 0.657 30.948 30.300 -0.015 0.000 1.184 270 R HN 0.367 nan 8.270 nan 0.000 0.581 271 I N 2.562 123.127 120.570 -0.008 0.000 2.304 271 I HA 0.198 4.377 4.170 0.014 0.000 0.291 271 I C 0.000 176.126 176.117 0.014 0.000 1.018 271 I CA -0.265 61.034 61.300 -0.003 0.000 1.260 271 I CB 0.914 38.910 38.000 -0.007 0.000 1.390 271 I HN -0.003 nan 8.210 nan 0.000 0.475 272 S N 4.030 119.747 115.700 0.029 0.000 2.537 272 S HA 0.390 4.869 4.470 0.014 0.000 0.271 272 S C -0.318 174.354 174.600 0.120 0.000 1.148 272 S CA -0.764 57.471 58.200 0.058 0.000 0.868 272 S CB 1.507 64.734 63.200 0.045 0.000 1.115 272 S HN 0.734 nan 8.310 nan 0.000 0.461 273 H N 1.285 120.358 119.070 0.005 0.000 2.604 273 H HA -0.160 4.405 4.556 0.015 0.000 0.321 273 H C 1.132 176.470 175.328 0.017 0.000 1.132 273 H CA 1.406 57.459 56.048 0.010 0.000 1.129 273 H CB -1.572 28.198 29.762 0.012 0.000 1.526 273 H HN 2.198 nan 8.280 nan 0.000 0.415 274 G N 1.435 110.256 108.800 0.034 0.000 2.385 274 G HA2 -0.230 3.738 3.960 0.014 0.000 0.284 274 G HA3 -0.230 3.738 3.960 0.014 0.000 0.284 274 G C 0.165 175.041 174.900 -0.040 0.000 0.899 274 G CA 1.250 46.335 45.100 -0.025 0.000 1.204 274 G HN 0.860 nan 8.290 nan 0.000 0.486 275 Q N -2.281 117.509 119.800 -0.017 0.000 2.814 275 Q HA 0.523 4.871 4.340 0.014 0.000 0.322 275 Q C -0.595 175.388 176.000 -0.028 0.000 0.888 275 Q CA -1.055 54.737 55.803 -0.017 0.000 0.768 275 Q CB 1.840 30.563 28.738 -0.025 0.000 1.443 275 Q HN 0.186 nan 8.270 nan 0.000 0.497 276 V N 2.049 121.934 119.914 -0.048 0.000 2.356 276 V HA 0.145 4.274 4.120 0.014 0.000 0.258 276 V C -0.819 175.258 176.094 -0.028 0.000 1.065 276 V CA -0.097 62.175 62.300 -0.047 0.000 0.935 276 V CB 0.686 32.468 31.823 -0.068 0.000 1.061 276 V HN 0.528 nan 8.190 nan 0.000 0.484 277 D N 5.052 125.443 120.400 -0.015 0.000 2.359 277 D HA 0.367 5.015 4.640 0.014 0.000 0.230 277 D C -0.194 176.101 176.300 -0.008 0.000 1.118 277 D CA -0.127 53.870 54.000 -0.005 0.000 0.844 277 D CB 1.182 41.985 40.800 0.006 0.000 1.059 277 D HN 0.427 nan 8.370 nan 0.000 0.493 278 L N 3.476 124.694 121.223 -0.008 0.000 2.719 278 L HA 0.190 4.539 4.340 0.014 0.000 0.236 278 L C 1.323 178.191 176.870 -0.004 0.000 1.221 278 L CA -0.242 54.593 54.840 -0.007 0.000 1.048 278 L CB 0.672 42.725 42.059 -0.009 0.000 1.364 278 L HN 0.309 nan 8.230 nan 0.000 0.447 279 S N -0.024 115.675 115.700 -0.002 0.000 2.497 279 S HA -0.049 4.430 4.470 0.014 0.000 0.218 279 S C 1.658 176.258 174.600 -0.000 0.000 1.023 279 S CA 0.298 58.498 58.200 -0.000 0.000 0.913 279 S CB 0.250 63.451 63.200 0.002 0.000 0.800 279 S HN 0.672 nan 8.310 nan 0.000 0.505 280 E N 1.704 121.903 120.200 -0.001 0.000 2.208 280 E HA -0.072 4.287 4.350 0.014 0.000 0.193 280 E C 1.949 178.548 176.600 -0.002 0.000 0.988 280 E CA 0.575 56.974 56.400 -0.001 0.000 0.828 280 E CB -0.716 28.983 29.700 -0.002 0.000 0.763 280 E HN 0.506 nan 8.360 nan 0.000 0.478 281 L N 1.139 122.361 121.223 -0.002 0.000 2.211 281 L HA -0.187 4.161 4.340 0.014 0.000 0.216 281 L C 1.297 178.166 176.870 -0.002 0.000 1.092 281 L CA 1.462 56.300 54.840 -0.002 0.000 0.767 281 L CB -1.326 40.732 42.059 -0.003 0.000 0.894 281 L HN 0.465 nan 8.230 nan 0.000 0.437 282 G N -1.407 107.393 108.800 -0.001 0.000 2.755 282 G HA2 -0.185 3.783 3.960 0.014 0.000 0.686 282 G HA3 -0.185 3.783 3.960 0.014 0.000 0.686 282 G C -1.940 172.960 174.900 -0.000 0.000 1.427 282 G CA -0.408 44.691 45.100 -0.000 0.000 0.873 282 G HN 0.071 nan 8.290 nan 0.000 0.580 283 P HA -0.022 nan 4.420 nan 0.000 0.223 283 P C 1.186 178.486 177.300 0.000 0.000 1.144 283 P CA 0.986 64.086 63.100 0.000 0.000 0.783 283 P CB 0.072 31.773 31.700 0.001 0.000 0.771 284 N N -0.938 117.762 118.700 0.000 0.000 2.362 284 N HA 0.124 4.873 4.740 0.014 0.000 0.211 284 N C 1.141 176.651 175.510 0.000 0.000 1.170 284 N CA 0.207 53.257 53.050 0.001 0.000 0.828 284 N CB -0.288 38.200 38.487 0.001 0.000 1.034 284 N HN 0.103 nan 8.380 nan 0.000 0.475 285 A N 0.350 123.170 122.820 -0.001 0.000 1.862 285 A HA 0.008 4.337 4.320 0.014 0.000 0.211 285 A C 1.529 179.112 177.584 -0.002 0.000 1.220 285 A CA 0.773 52.809 52.037 -0.001 0.000 0.616 285 A CB 0.023 19.022 19.000 -0.002 0.000 0.878 285 A HN 0.129 nan 8.150 nan 0.000 0.453 286 D N -0.011 120.388 120.400 -0.002 0.000 2.363 286 D HA -0.002 4.647 4.640 0.014 0.000 0.220 286 D C 1.158 177.457 176.300 -0.002 0.000 0.994 286 D CA 0.517 54.516 54.000 -0.002 0.000 0.890 286 D CB -0.019 40.779 40.800 -0.003 0.000 0.906 286 D HN 0.448 nan 8.370 nan 0.000 0.530 287 E N 0.856 121.055 120.200 -0.001 0.000 3.533 287 E HA -0.165 4.193 4.350 0.014 0.000 0.478 287 E C 1.564 178.164 176.600 0.000 0.000 0.791 287 E CA 0.131 56.531 56.400 0.000 0.000 3.034 287 E CB -0.411 29.289 29.700 0.002 0.000 0.943 287 E HN -0.036 nan 8.360 nan 0.000 0.476 288 L N -0.526 120.698 121.223 0.002 0.000 3.309 288 L HA -0.389 3.959 4.340 0.014 0.000 0.206 288 L C 1.864 178.734 176.870 -0.000 0.000 4.158 288 L CA 2.657 57.499 54.840 0.003 0.000 0.639 288 L CB -1.441 40.620 42.059 0.003 0.000 3.267 288 L HN 0.552 nan 8.230 nan 0.000 0.432 289 L N -0.798 120.423 121.223 -0.004 0.000 2.187 289 L HA -0.192 4.157 4.340 0.014 0.000 0.213 289 L C 2.218 179.084 176.870 -0.008 0.000 1.100 289 L CA 1.439 56.274 54.840 -0.009 0.000 0.765 289 L CB -0.624 41.431 42.059 -0.007 0.000 0.904 289 L HN 0.537 nan 8.230 nan 0.000 0.437 290 S N -0.439 115.259 115.700 -0.004 0.000 2.406 290 S HA -0.094 4.385 4.470 0.014 0.000 0.228 290 S C 1.659 176.258 174.600 -0.002 0.000 1.020 290 S CA 0.864 59.062 58.200 -0.003 0.000 0.965 290 S CB -0.095 63.104 63.200 -0.002 0.000 0.798 290 S HN 0.406 nan 8.310 nan 0.000 0.488 291 K N 1.491 121.891 120.400 0.000 0.000 2.417 291 K HA 0.208 4.537 4.320 0.014 0.000 0.196 291 K C -0.385 176.219 176.600 0.006 0.000 1.023 291 K CA 0.002 56.291 56.287 0.003 0.000 1.122 291 K CB 0.186 32.688 32.500 0.005 0.000 0.850 291 K HN 0.190 nan 8.250 nan 0.000 0.521 292 V N 2.653 122.567 119.914 -0.000 0.000 2.521 292 V HA -0.011 4.118 4.120 0.014 0.000 0.286 292 V C 0.702 176.796 176.094 0.000 0.000 1.034 292 V CA 0.423 62.722 62.300 -0.002 0.000 1.045 292 V CB 0.726 32.529 31.823 -0.032 0.000 0.974 292 V HN 0.314 nan 8.190 nan 0.000 0.480 293 E N 3.438 123.653 120.200 0.025 0.000 2.693 293 E HA 0.299 4.658 4.350 0.014 0.000 0.214 293 E C -0.082 176.571 176.600 0.088 0.000 0.990 293 E CA -0.222 56.199 56.400 0.035 0.000 1.047 293 E CB 0.713 30.434 29.700 0.036 0.000 1.039 293 E HN 0.742 nan 8.360 nan 0.000 0.475 294 H N 0.229 119.270 119.070 -0.048 0.000 3.140 294 H HA 0.336 4.900 4.556 0.014 0.000 0.336 294 H C -1.736 173.533 175.328 -0.099 0.000 1.142 294 H CA -0.569 55.444 56.048 -0.057 0.000 1.308 294 H CB 1.124 30.880 29.762 -0.010 0.000 1.970 294 H HN 0.011 nan 8.280 nan 0.000 0.521 295 I N 3.406 123.543 120.570 -0.722 0.000 2.404 295 I HA 0.166 4.345 4.170 0.014 0.000 0.293 295 I C -0.409 175.426 176.117 -0.470 0.000 0.992 295 I CA -0.576 60.407 61.300 -0.529 0.000 1.149 295 I CB 2.022 39.606 38.000 -0.695 0.000 1.315 295 I HN 0.392 nan 8.210 nan 0.000 0.446 296 Q N 6.579 126.266 119.800 -0.188 0.000 2.327 296 Q HA 0.568 4.917 4.340 0.014 0.000 0.270 296 Q C -1.262 174.596 176.000 -0.237 0.000 1.022 296 Q CA -0.347 55.370 55.803 -0.142 0.000 0.773 296 Q CB 1.320 30.010 28.738 -0.079 0.000 1.251 296 Q HN 0.469 nan 8.270 nan 0.000 0.457 297 I N 3.155 123.619 120.570 -0.177 0.000 2.676 297 I HA 0.488 4.667 4.170 0.014 0.000 0.309 297 I C -0.412 175.616 176.117 -0.149 0.000 0.990 297 I CA -1.137 60.077 61.300 -0.142 0.000 1.168 297 I CB 1.338 39.292 38.000 -0.077 0.000 1.343 297 I HN 0.510 nan 8.210 nan 0.000 0.482 298 L N 3.675 124.826 121.223 -0.120 0.000 2.680 298 L HA 0.581 4.929 4.340 0.014 0.000 0.260 298 L C -0.751 176.108 176.870 -0.019 0.000 0.975 298 L CA 0.056 54.829 54.840 -0.111 0.000 0.920 298 L CB 1.446 43.343 42.059 -0.270 0.000 1.234 298 L HN 0.954 nan 8.230 nan 0.000 0.429 299 A N 2.235 125.106 122.820 0.086 0.000 2.515 299 A HA 0.864 5.193 4.320 0.014 0.000 0.299 299 A C -0.891 176.771 177.584 0.131 0.000 1.179 299 A CA -0.374 51.723 52.037 0.099 0.000 0.656 299 A CB 1.623 20.683 19.000 0.101 0.000 1.306 299 A HN 0.569 nan 8.150 nan 0.000 0.459 300 C N -1.524 117.835 119.300 0.099 0.000 2.768 300 C HA 0.867 5.336 4.460 0.014 0.000 0.411 300 C C 1.995 177.049 174.990 0.106 0.000 1.793 300 C CA 0.348 59.404 59.018 0.064 0.000 1.747 300 C CB 0.358 28.119 27.740 0.036 0.000 2.128 300 C HN 2.147 nan 8.230 nan 0.000 0.472 301 G N 1.108 109.942 108.800 0.057 0.000 2.627 301 G HA2 -0.350 3.618 3.960 0.014 0.000 0.400 301 G HA3 -0.350 3.618 3.960 0.014 0.000 0.400 301 G C 1.018 175.989 174.900 0.117 0.000 1.334 301 G CA 1.589 46.725 45.100 0.061 0.000 0.960 301 G HN 0.783 nan 8.290 nan 0.000 0.533 302 T N 0.548 115.159 114.554 0.094 0.000 2.904 302 T HA 0.013 4.371 4.350 0.014 0.000 0.267 302 T C 2.830 177.693 174.700 0.272 0.000 1.059 302 T CA 1.776 63.950 62.100 0.123 0.000 1.137 302 T CB -0.366 68.528 68.868 0.044 0.000 0.879 302 T HN 0.447 nan 8.240 nan 0.000 0.467 303 S N 0.626 116.450 115.700 0.207 0.000 2.402 303 S HA -0.159 4.320 4.470 0.014 0.000 0.233 303 S C 1.621 176.324 174.600 0.170 0.000 1.030 303 S CA 1.151 59.450 58.200 0.166 0.000 1.003 303 S CB -0.450 62.813 63.200 0.104 0.000 0.813 303 S HN 0.689 nan 8.310 nan 0.000 0.477 304 Y N 3.041 123.388 120.300 0.079 0.000 2.200 304 Y HA -0.096 4.462 4.550 0.014 0.000 0.290 304 Y C 1.950 177.905 175.900 0.093 0.000 1.137 304 Y CA 1.404 59.542 58.100 0.063 0.000 1.163 304 Y CB -0.475 38.015 38.460 0.050 0.000 0.988 304 Y HN 0.174 nan 8.280 nan 0.000 0.518 305 N N 0.250 119.012 118.700 0.104 0.000 2.120 305 N HA -0.181 4.568 4.740 0.014 0.000 0.188 305 N C 2.115 177.717 175.510 0.152 0.000 1.024 305 N CA 1.717 54.817 53.050 0.084 0.000 0.852 305 N CB -0.731 37.861 38.487 0.176 0.000 1.003 305 N HN 0.574 nan 8.380 nan 0.000 0.424 306 S N 0.180 116.020 115.700 0.232 0.000 2.359 306 S HA -0.088 4.391 4.470 0.014 0.000 0.224 306 S C 2.241 176.710 174.600 -0.219 0.000 1.035 306 S CA 1.342 59.349 58.200 -0.323 0.000 1.018 306 S CB -1.226 61.614 63.200 -0.600 0.000 0.876 306 S HN 0.353 nan 8.310 nan 0.000 0.448 307 G N 1.935 110.651 108.800 -0.140 0.000 2.469 307 G HA2 -0.182 3.787 3.960 0.014 0.000 0.219 307 G HA3 -0.182 3.787 3.960 0.014 0.000 0.219 307 G C 1.483 176.284 174.900 -0.165 0.000 1.150 307 G CA 1.275 46.298 45.100 -0.128 0.000 0.763 307 G HN 0.414 nan 8.290 nan 0.000 0.561 308 M N 0.230 119.682 119.600 -0.246 0.000 2.319 308 M HA 0.024 4.512 4.480 0.014 0.000 0.265 308 M C 2.621 178.898 176.300 -0.038 0.000 1.068 308 M CA 0.614 55.797 55.300 -0.195 0.000 1.118 308 M CB -0.373 32.083 32.600 -0.240 0.000 1.395 308 M HN 0.159 nan 8.290 nan 0.000 0.435 309 V N 0.045 119.869 119.914 -0.149 0.000 2.256 309 V HA -0.189 3.940 4.120 0.014 0.000 0.240 309 V C 2.449 178.249 176.094 -0.490 0.000 1.036 309 V CA 1.942 64.058 62.300 -0.307 0.000 1.008 309 V CB -1.173 30.334 31.823 -0.527 0.000 0.648 309 V HN 0.552 nan 8.190 nan 0.000 0.453 310 S N 1.092 116.500 115.700 -0.487 0.000 2.440 310 S HA -0.308 4.170 4.470 0.014 0.000 0.238 310 S C 2.011 176.574 174.600 -0.061 0.000 1.010 310 S CA 1.855 59.887 58.200 -0.280 0.000 0.972 310 S CB -0.662 62.523 63.200 -0.026 0.000 0.774 310 S HN 0.591 nan 8.310 nan 0.000 0.501 311 R N 0.379 120.879 120.500 0.001 0.000 2.103 311 R HA -0.183 4.166 4.340 0.014 0.000 0.234 311 R C 1.957 178.259 176.300 0.002 0.000 1.132 311 R CA 2.065 58.196 56.100 0.052 0.000 0.925 311 R CB -0.913 29.292 30.300 -0.159 0.000 0.842 311 R HN 0.490 nan 8.270 nan 0.000 0.430 312 Y N -0.403 119.843 120.300 -0.089 0.000 2.173 312 Y HA -0.340 4.218 4.550 0.014 0.000 0.282 312 Y C 2.222 178.145 175.900 0.039 0.000 1.192 312 Y CA 1.541 59.601 58.100 -0.067 0.000 1.176 312 Y CB -0.413 37.950 38.460 -0.162 0.000 0.969 312 Y HN 0.278 nan 8.280 nan 0.000 0.519 313 W N -0.716 120.613 121.300 0.048 0.000 2.338 313 W HA -0.171 4.498 4.660 0.015 0.000 0.325 313 W C 2.167 178.639 176.519 -0.079 0.000 1.206 313 W CA 0.778 58.062 57.345 -0.100 0.000 1.257 313 W CB -1.707 27.569 29.460 -0.308 0.000 1.184 313 W HN 0.030 nan 8.180 nan 0.000 0.456 314 F N 1.081 121.169 119.950 0.230 0.000 2.132 314 F HA -0.373 4.163 4.527 0.014 0.000 0.294 314 F C 2.441 178.273 175.800 0.052 0.000 1.157 314 F CA 2.351 60.400 58.000 0.083 0.000 1.258 314 F CB -1.623 37.386 39.000 0.015 0.000 0.927 314 F HN 0.035 nan 8.300 nan 0.000 0.535 315 E N -0.090 120.248 120.200 0.230 0.000 2.136 315 E HA -0.307 4.051 4.350 0.014 0.000 0.208 315 E C 2.297 178.963 176.600 0.110 0.000 1.035 315 E CA 2.319 58.787 56.400 0.114 0.000 0.838 315 E CB -0.776 28.949 29.700 0.041 0.000 0.748 315 E HN 0.565 nan 8.360 nan 0.000 0.459 316 S N 0.030 115.810 115.700 0.134 0.000 2.406 316 S HA 0.016 4.495 4.470 0.014 0.000 0.224 316 S C 2.116 176.774 174.600 0.096 0.000 1.030 316 S CA 0.250 58.520 58.200 0.117 0.000 0.958 316 S CB -0.195 63.087 63.200 0.137 0.000 0.811 316 S HN 0.129 nan 8.310 nan 0.000 0.489 317 L N 0.785 122.069 121.223 0.102 0.000 2.116 317 L HA 0.332 4.681 4.340 0.014 0.000 0.200 317 L C 2.940 179.836 176.870 0.043 0.000 1.084 317 L CA 1.090 55.959 54.840 0.047 0.000 0.766 317 L CB -0.640 41.416 42.059 -0.006 0.000 0.930 317 L HN 0.461 nan 8.230 nan 0.000 0.453 318 A N -0.460 122.412 122.820 0.087 0.000 2.251 318 A HA 0.244 4.573 4.320 0.014 0.000 0.209 318 A C 1.611 179.251 177.584 0.094 0.000 1.187 318 A CA 0.647 52.745 52.037 0.101 0.000 0.823 318 A CB -0.518 18.589 19.000 0.178 0.000 0.846 318 A HN 0.582 nan 8.150 nan 0.000 0.486 319 G N -0.451 108.406 108.800 0.094 0.000 2.233 319 G HA2 -0.265 3.704 3.960 0.014 0.000 0.270 319 G HA3 -0.265 3.704 3.960 0.014 0.000 0.270 319 G C 0.060 174.991 174.900 0.052 0.000 1.011 319 G CA 0.717 45.856 45.100 0.066 0.000 0.762 319 G HN 0.540 nan 8.290 nan 0.000 0.511 320 I N 1.104 121.713 120.570 0.065 0.000 2.312 320 I HA 0.275 4.454 4.170 0.014 0.000 0.290 320 I C -1.970 174.114 176.117 -0.055 0.000 1.008 320 I CA -2.522 58.774 61.300 -0.007 0.000 1.226 320 I CB 1.628 39.591 38.000 -0.062 0.000 1.371 320 I HN -0.183 nan 8.210 nan 0.000 0.468 321 P HA -0.107 nan 4.420 nan 0.000 0.260 321 P C -0.762 176.335 177.300 -0.339 0.000 1.172 321 P CA 0.129 63.168 63.100 -0.102 0.000 0.760 321 P CB 0.311 32.027 31.700 0.027 0.000 0.773 322 C N 4.191 123.331 119.300 -0.266 0.000 2.547 322 C HA 0.520 4.989 4.460 0.014 0.000 0.313 322 C C -1.193 173.666 174.990 -0.218 0.000 1.191 322 C CA -0.221 58.593 59.018 -0.339 0.000 1.474 322 C CB 1.113 28.770 27.740 -0.137 0.000 2.081 322 C HN 0.500 nan 8.230 nan 0.000 0.476 323 D N 2.736 123.009 120.400 -0.213 0.000 2.787 323 D HA 0.560 5.209 4.640 0.014 0.000 0.246 323 D C -0.876 175.409 176.300 -0.025 0.000 1.150 323 D CA 0.028 54.014 54.000 -0.023 0.000 0.864 323 D CB 2.294 43.205 40.800 0.185 0.000 1.481 323 D HN 0.477 nan 8.370 nan 0.000 0.509 324 V N -0.252 119.663 119.914 0.002 0.000 2.555 324 V HA 0.700 4.829 4.120 0.014 0.000 0.302 324 V C -0.000 176.182 176.094 0.146 0.000 1.038 324 V CA -0.699 61.615 62.300 0.022 0.000 0.887 324 V CB 2.381 34.177 31.823 -0.045 0.000 0.991 324 V HN 0.390 nan 8.190 nan 0.000 0.434 325 E N 2.620 122.929 120.200 0.181 0.000 2.356 325 E HA 0.526 4.885 4.350 0.014 0.000 0.275 325 E C -1.278 175.468 176.600 0.244 0.000 0.904 325 E CA -0.890 55.652 56.400 0.236 0.000 0.757 325 E CB 2.909 32.722 29.700 0.188 0.000 1.232 325 E HN 0.699 nan 8.360 nan 0.000 0.442 326 I N 2.566 123.208 120.570 0.121 0.000 2.533 326 I HA 0.026 4.205 4.170 0.014 0.000 0.284 326 I C 1.563 177.719 176.117 0.065 0.000 1.109 326 I CA 0.022 61.292 61.300 -0.049 0.000 1.412 326 I CB 0.933 38.785 38.000 -0.246 0.000 1.396 326 I HN 0.726 nan 8.210 nan 0.000 0.543 327 A N 5.701 128.556 122.820 0.058 0.000 1.863 327 A HA -0.283 4.046 4.320 0.014 0.000 0.218 327 A C 2.393 180.048 177.584 0.119 0.000 1.233 327 A CA 2.926 55.012 52.037 0.081 0.000 0.655 327 A CB -1.205 17.823 19.000 0.047 0.000 0.839 327 A HN 0.893 nan 8.150 nan 0.000 0.454 328 S N -0.647 115.113 115.700 0.100 0.000 2.402 328 S HA -0.234 4.245 4.470 0.014 0.000 0.233 328 S C 1.670 176.407 174.600 0.229 0.000 1.030 328 S CA 1.764 60.068 58.200 0.174 0.000 1.003 328 S CB -0.410 62.911 63.200 0.202 0.000 0.813 328 S HN 0.533 nan 8.310 nan 0.000 0.477 329 E N 0.679 120.981 120.200 0.171 0.000 2.107 329 E HA 0.123 4.482 4.350 0.014 0.000 0.191 329 E C 1.456 178.167 176.600 0.185 0.000 0.982 329 E CA 0.437 56.941 56.400 0.175 0.000 0.809 329 E CB -0.582 29.189 29.700 0.118 0.000 0.756 329 E HN 0.573 nan 8.360 nan 0.000 0.459 330 F N 2.267 122.242 119.950 0.042 0.000 2.026 330 F HA -0.189 4.346 4.527 0.014 0.000 0.296 330 F C 2.028 177.798 175.800 -0.049 0.000 1.133 330 F CA 2.133 60.141 58.000 0.013 0.000 1.188 330 F CB -0.396 38.607 39.000 0.005 0.000 0.968 330 F HN -0.002 nan 8.300 nan 0.000 0.476 331 R N -0.660 119.748 120.500 -0.153 0.000 2.421 331 R HA -0.163 4.185 4.340 0.014 0.000 0.208 331 R C -0.690 175.196 176.300 -0.690 0.000 1.103 331 R CA 1.291 57.110 56.100 -0.469 0.000 1.065 331 R CB -1.240 28.773 30.300 -0.479 0.000 0.839 331 R HN 0.474 nan 8.270 nan 0.000 0.480 332 Y N 0.930 121.166 120.300 -0.107 0.000 2.624 332 Y HA 0.398 4.956 4.550 0.015 0.000 0.302 332 Y C -0.606 175.236 175.900 -0.095 0.000 0.939 332 Y CA -1.105 56.943 58.100 -0.088 0.000 1.116 332 Y CB 0.452 38.887 38.460 -0.043 0.000 1.173 332 Y HN 0.038 nan 8.280 nan 0.000 0.631 333 R N -0.515 119.950 120.500 -0.058 0.000 2.651 333 R HA 0.459 4.808 4.340 0.014 0.000 0.278 333 R C -1.023 175.201 176.300 -0.127 0.000 1.010 333 R CA -1.165 54.902 56.100 -0.056 0.000 0.896 333 R CB 1.980 32.258 30.300 -0.038 0.000 1.211 333 R HN 0.010 nan 8.270 nan 0.000 0.456 334 K N 2.478 122.831 120.400 -0.079 0.000 2.351 334 K HA 0.069 4.398 4.320 0.014 0.000 0.287 334 K C -0.670 175.880 176.600 -0.084 0.000 1.068 334 K CA 0.076 56.310 56.287 -0.089 0.000 0.998 334 K CB 0.408 32.875 32.500 -0.055 0.000 0.968 334 K HN 0.751 nan 8.250 nan 0.000 0.464 335 S N 2.421 118.049 115.700 -0.120 0.000 2.499 335 S HA 0.409 4.888 4.470 0.014 0.000 0.279 335 S C 0.024 174.607 174.600 -0.028 0.000 1.219 335 S CA -1.129 57.042 58.200 -0.049 0.000 1.062 335 S CB 1.700 64.889 63.200 -0.018 0.000 0.978 335 S HN 0.592 nan 8.310 nan 0.000 0.489 336 A N 3.116 125.927 122.820 -0.016 0.000 2.477 336 A HA 0.480 4.809 4.320 0.014 0.000 0.246 336 A C 0.173 177.721 177.584 -0.060 0.000 1.078 336 A CA -0.479 51.532 52.037 -0.044 0.000 0.770 336 A CB 0.049 19.024 19.000 -0.042 0.000 1.011 336 A HN 0.782 nan 8.150 nan 0.000 0.494 337 V N 3.305 123.141 119.914 -0.129 0.000 2.644 337 V HA 0.327 4.455 4.120 0.014 0.000 0.295 337 V C 0.550 176.511 176.094 -0.222 0.000 1.053 337 V CA -0.471 61.689 62.300 -0.234 0.000 0.987 337 V CB 1.431 32.983 31.823 -0.452 0.000 1.006 337 V HN 0.996 nan 8.190 nan 0.000 0.472 338 R N 2.888 123.221 120.500 -0.278 0.000 2.410 338 R HA 0.383 4.731 4.340 0.014 0.000 0.288 338 R C 0.119 176.319 176.300 -0.167 0.000 1.051 338 R CA -0.343 55.582 56.100 -0.291 0.000 1.021 338 R CB 0.330 30.226 30.300 -0.674 0.000 1.032 338 R HN 0.536 nan 8.270 nan 0.000 0.481 339 R N 3.138 123.574 120.500 -0.107 0.000 2.480 339 R HA -0.066 4.283 4.340 0.014 0.000 0.303 339 R C -0.505 175.785 176.300 -0.017 0.000 0.985 339 R CA 0.542 56.607 56.100 -0.060 0.000 1.051 339 R CB -0.105 30.171 30.300 -0.039 0.000 0.935 339 R HN 0.673 nan 8.270 nan 0.000 0.410 340 N N 1.734 120.428 118.700 -0.011 0.000 2.402 340 N HA -0.196 4.553 4.740 0.014 0.000 0.292 340 N C -1.453 174.109 175.510 0.088 0.000 1.488 340 N CA 0.848 53.916 53.050 0.030 0.000 0.667 340 N CB -0.150 38.352 38.487 0.026 0.000 0.954 340 N HN 0.460 nan 8.380 nan 0.000 0.478 341 S N 1.353 117.147 115.700 0.157 0.000 2.547 341 S HA 0.604 5.082 4.470 0.014 0.000 0.281 341 S C -0.752 174.019 174.600 0.285 0.000 1.118 341 S CA -0.715 57.675 58.200 0.316 0.000 0.947 341 S CB 1.842 65.358 63.200 0.525 0.000 1.053 341 S HN 0.406 nan 8.310 nan 0.000 0.482 342 L N 4.016 125.302 121.223 0.104 0.000 2.295 342 L HA 0.668 5.016 4.340 0.014 0.000 0.285 342 L C -0.350 176.394 176.870 -0.210 0.000 1.035 342 L CA -0.275 54.541 54.840 -0.040 0.000 0.806 342 L CB 1.128 43.141 42.059 -0.077 0.000 1.214 342 L HN 0.733 nan 8.230 nan 0.000 0.426 343 M N 6.798 126.233 119.600 -0.276 0.000 3.176 343 M HA 0.358 4.847 4.480 0.014 0.000 0.284 343 M C -0.666 175.505 176.300 -0.216 0.000 1.392 343 M CA -0.190 54.890 55.300 -0.367 0.000 1.520 343 M CB -0.606 31.732 32.600 -0.438 0.000 1.100 343 M HN 0.372 nan 8.290 nan 0.000 0.555 344 I N 1.854 122.309 120.570 -0.191 0.000 2.581 344 I HA 0.169 4.348 4.170 0.014 0.000 0.285 344 I C 0.237 176.272 176.117 -0.137 0.000 1.129 344 I CA -0.211 61.014 61.300 -0.126 0.000 1.397 344 I CB -0.517 37.434 38.000 -0.081 0.000 1.399 344 I HN 0.524 nan 8.210 nan 0.000 0.537 345 T N 5.210 119.701 114.554 -0.105 0.000 2.977 345 T HA 0.525 4.884 4.350 0.014 0.000 0.346 345 T C -0.400 174.271 174.700 -0.048 0.000 1.140 345 T CA -0.693 61.352 62.100 -0.092 0.000 1.040 345 T CB 0.656 69.465 68.868 -0.097 0.000 1.046 345 T HN 0.456 nan 8.240 nan 0.000 0.494 346 L N 3.217 124.421 121.223 -0.031 0.000 2.456 346 L HA 0.578 4.927 4.340 0.014 0.000 0.272 346 L C 0.612 177.484 176.870 0.004 0.000 1.189 346 L CA 0.235 55.069 54.840 -0.009 0.000 0.846 346 L CB 1.073 43.130 42.059 -0.002 0.000 1.111 346 L HN 0.933 nan 8.230 nan 0.000 0.475 347 S N 1.840 117.544 115.700 0.008 0.000 2.580 347 S HA 0.167 4.645 4.470 0.014 0.000 0.281 347 S C -0.434 174.174 174.600 0.014 0.000 1.129 347 S CA -0.752 57.457 58.200 0.015 0.000 0.862 347 S CB 1.528 64.731 63.200 0.006 0.000 1.090 347 S HN 0.631 nan 8.310 nan 0.000 0.451 348 Q N 1.805 121.617 119.800 0.020 0.000 1.157 348 Q HA 0.054 4.403 4.340 0.014 0.000 0.800 348 Q C 1.961 177.964 176.000 0.006 0.000 0.884 348 Q CA 1.877 57.689 55.803 0.014 0.000 0.870 348 Q CB -0.800 27.948 28.738 0.018 0.000 1.616 348 Q HN 1.042 nan 8.270 nan 0.000 0.235 349 S N -0.502 115.200 115.700 0.003 0.000 2.653 349 S HA 0.030 4.509 4.470 0.014 0.000 0.233 349 S C 0.989 175.588 174.600 -0.001 0.000 0.970 349 S CA 0.936 59.135 58.200 -0.001 0.000 0.947 349 S CB -0.830 62.367 63.200 -0.005 0.000 0.771 349 S HN 0.790 nan 8.310 nan 0.000 0.538 350 G N 0.550 109.351 108.800 0.001 0.000 2.295 350 G HA2 -0.206 3.763 3.960 0.014 0.000 0.287 350 G HA3 -0.206 3.763 3.960 0.014 0.000 0.287 350 G C 0.372 175.272 174.900 -0.001 0.000 1.055 350 G CA 0.481 45.580 45.100 -0.001 0.000 0.922 350 G HN 0.548 nan 8.290 nan 0.000 0.503 351 E N -1.349 118.853 120.200 0.002 0.000 2.614 351 E HA 0.044 4.403 4.350 0.014 0.000 0.201 351 E C 1.030 177.633 176.600 0.006 0.000 0.889 351 E CA 0.625 57.027 56.400 0.003 0.000 1.564 351 E CB -0.271 29.430 29.700 0.002 0.000 1.623 351 E HN 0.354 nan 8.360 nan 0.000 0.898 352 T N 2.757 117.316 114.554 0.008 0.000 2.190 352 T HA -0.165 4.193 4.350 0.014 0.000 0.175 352 T C 1.308 176.016 174.700 0.013 0.000 1.091 352 T CA 0.624 62.731 62.100 0.012 0.000 1.860 352 T CB 0.151 69.028 68.868 0.015 0.000 0.973 352 T HN 0.282 nan 8.240 nan 0.000 0.415 353 A N 3.687 126.517 122.820 0.017 0.000 1.917 353 A HA -0.168 4.161 4.320 0.014 0.000 0.219 353 A C 2.235 179.830 177.584 0.019 0.000 1.182 353 A CA 1.907 53.955 52.037 0.018 0.000 0.633 353 A CB -0.297 18.717 19.000 0.024 0.000 0.819 353 A HN 0.835 nan 8.150 nan 0.000 0.448 354 D N -0.777 119.637 120.400 0.024 0.000 2.120 354 D HA -0.111 4.538 4.640 0.014 0.000 0.202 354 D C 2.314 178.624 176.300 0.018 0.000 0.972 354 D CA 2.213 56.228 54.000 0.025 0.000 0.837 354 D CB -0.333 40.492 40.800 0.041 0.000 0.989 354 D HN 0.489 nan 8.370 nan 0.000 0.469 355 T N 0.194 114.758 114.554 0.017 0.000 2.635 355 T HA -0.230 4.129 4.350 0.014 0.000 0.267 355 T C 2.181 176.882 174.700 0.000 0.000 1.040 355 T CA 1.320 63.422 62.100 0.004 0.000 1.156 355 T CB -0.902 67.964 68.868 -0.003 0.000 0.863 355 T HN 0.091 nan 8.240 nan 0.000 0.430 356 L N 2.077 123.301 121.223 0.002 0.000 2.030 356 L HA -0.166 4.182 4.340 0.014 0.000 0.222 356 L C 2.805 179.678 176.870 0.006 0.000 1.082 356 L CA 2.271 57.112 54.840 0.001 0.000 0.785 356 L CB -1.198 40.864 42.059 0.004 0.000 0.895 356 L HN 0.473 nan 8.230 nan 0.000 0.439 357 A N -1.760 121.064 122.820 0.007 0.000 2.081 357 A HA 0.215 4.543 4.320 0.014 0.000 0.214 357 A C 2.272 179.875 177.584 0.032 0.000 1.158 357 A CA 0.793 52.834 52.037 0.007 0.000 0.724 357 A CB -1.099 17.892 19.000 -0.014 0.000 0.826 357 A HN 0.507 nan 8.150 nan 0.000 0.463 358 G N 0.819 109.651 108.800 0.053 0.000 2.553 358 G HA2 -0.306 3.663 3.960 0.014 0.000 0.218 358 G HA3 -0.306 3.663 3.960 0.014 0.000 0.218 358 G C 1.497 176.478 174.900 0.134 0.000 1.195 358 G CA 1.486 46.679 45.100 0.156 0.000 0.779 358 G HN 0.508 nan 8.290 nan 0.000 0.577 359 L N 0.780 122.015 121.223 0.021 0.000 1.978 359 L HA -0.131 4.218 4.340 0.014 0.000 0.218 359 L C 2.993 179.893 176.870 0.050 0.000 1.075 359 L CA 2.394 57.231 54.840 -0.005 0.000 0.767 359 L CB -0.769 41.275 42.059 -0.024 0.000 0.890 359 L HN 0.240 nan 8.230 nan 0.000 0.434 360 R N -0.866 119.663 120.500 0.048 0.000 2.113 360 R HA -0.227 4.122 4.340 0.014 0.000 0.244 360 R C 2.278 178.625 176.300 0.079 0.000 1.142 360 R CA 1.901 58.031 56.100 0.050 0.000 0.953 360 R CB -0.920 29.398 30.300 0.029 0.000 0.860 360 R HN 0.354 nan 8.270 nan 0.000 0.438 361 L N 0.925 122.208 121.223 0.100 0.000 2.270 361 L HA -0.254 4.095 4.340 0.014 0.000 0.217 361 L C 2.294 179.289 176.870 0.209 0.000 1.107 361 L CA 1.871 56.784 54.840 0.121 0.000 0.772 361 L CB -0.284 41.833 42.059 0.097 0.000 0.902 361 L HN 0.328 nan 8.230 nan 0.000 0.439 362 S N -2.083 113.780 115.700 0.273 0.000 2.388 362 S HA -0.111 4.368 4.470 0.014 0.000 0.223 362 S C 2.029 176.802 174.600 0.287 0.000 1.034 362 S CA 0.158 58.616 58.200 0.430 0.000 0.963 362 S CB -0.253 63.142 63.200 0.326 0.000 0.827 362 S HN 0.270 nan 8.310 nan 0.000 0.481 363 K N 2.215 122.712 120.400 0.163 0.000 2.030 363 K HA -0.213 4.116 4.320 0.014 0.000 0.222 363 K C 2.053 178.703 176.600 0.083 0.000 1.056 363 K CA 2.344 58.692 56.287 0.102 0.000 0.957 363 K CB -0.888 31.651 32.500 0.064 0.000 0.727 363 K HN 0.848 nan 8.250 nan 0.000 0.452 364 E N 0.418 120.660 120.200 0.070 0.000 2.482 364 E HA -0.040 4.319 4.350 0.014 0.000 0.196 364 E C 1.736 178.353 176.600 0.029 0.000 1.047 364 E CA 0.200 56.624 56.400 0.039 0.000 0.869 364 E CB -0.129 29.586 29.700 0.026 0.000 0.836 364 E HN 0.186 nan 8.360 nan 0.000 0.520 365 L N 0.602 121.859 121.223 0.057 0.000 2.607 365 L HA 0.195 4.544 4.340 0.014 0.000 0.228 365 L C 0.748 177.564 176.870 -0.090 0.000 1.123 365 L CA 0.181 55.016 54.840 -0.009 0.000 0.890 365 L CB 0.280 42.355 42.059 0.027 0.000 1.103 365 L HN 0.321 nan 8.230 nan 0.000 0.468 366 G N -0.123 108.664 108.800 -0.022 0.000 2.351 366 G HA2 -0.333 3.636 3.960 0.014 0.000 0.297 366 G HA3 -0.333 3.636 3.960 0.014 0.000 0.297 366 G C -0.321 174.535 174.900 -0.073 0.000 1.054 366 G CA -0.249 44.828 45.100 -0.037 0.000 1.123 366 G HN 0.270 nan 8.290 nan 0.000 0.512 367 Y N -0.473 119.838 120.300 0.019 0.000 2.304 367 Y HA 0.378 4.936 4.550 0.015 0.000 0.328 367 Y C 2.183 178.086 175.900 0.005 0.000 1.123 367 Y CA -0.656 57.453 58.100 0.014 0.000 1.218 367 Y CB 0.833 39.304 38.460 0.018 0.000 1.207 367 Y HN 0.153 nan 8.280 nan 0.000 0.495 368 L N 2.473 123.798 121.223 0.171 0.000 2.064 368 L HA -0.226 4.122 4.340 0.014 0.000 0.216 368 L C 1.197 178.114 176.870 0.079 0.000 1.077 368 L CA 1.825 56.721 54.840 0.093 0.000 0.766 368 L CB -0.777 41.326 42.059 0.074 0.000 0.890 368 L HN 0.953 nan 8.230 nan 0.000 0.435 369 G N -1.727 107.127 108.800 0.090 0.000 2.345 369 G HA2 0.159 4.127 3.960 0.014 0.000 0.285 369 G HA3 0.159 4.127 3.960 0.014 0.000 0.285 369 G C -1.356 173.540 174.900 -0.007 0.000 1.297 369 G CA -0.018 45.109 45.100 0.045 0.000 0.875 369 G HN 0.086 nan 8.290 nan 0.000 0.506 370 S N -0.467 115.220 115.700 -0.022 0.000 2.669 370 S HA 0.601 5.080 4.470 0.014 0.000 0.315 370 S C -0.752 173.822 174.600 -0.044 0.000 1.106 370 S CA -0.550 57.618 58.200 -0.054 0.000 1.107 370 S CB 1.289 64.463 63.200 -0.044 0.000 0.990 370 S HN 1.580 nan 8.310 nan 0.000 0.471 371 L N 4.681 125.871 121.223 -0.055 0.000 2.260 371 L HA 0.782 5.131 4.340 0.014 0.000 0.289 371 L C 0.186 177.027 176.870 -0.047 0.000 1.057 371 L CA -0.137 54.679 54.840 -0.041 0.000 0.811 371 L CB 0.562 42.602 42.059 -0.032 0.000 1.184 371 L HN 0.888 nan 8.230 nan 0.000 0.429 372 A N 6.482 129.281 122.820 -0.035 0.000 2.316 372 A HA 0.738 5.066 4.320 0.014 0.000 0.284 372 A C -0.427 177.145 177.584 -0.021 0.000 1.115 372 A CA -0.441 51.577 52.037 -0.032 0.000 0.812 372 A CB 0.258 19.244 19.000 -0.025 0.000 1.064 372 A HN 0.734 nan 8.150 nan 0.000 0.489 373 I N 1.182 121.741 120.570 -0.018 0.000 2.499 373 I HA 0.554 4.732 4.170 0.014 0.000 0.288 373 I C -0.189 175.922 176.117 -0.010 0.000 1.048 373 I CA -0.405 60.889 61.300 -0.011 0.000 1.062 373 I CB 1.613 39.609 38.000 -0.006 0.000 1.238 373 I HN 0.951 nan 8.210 nan 0.000 0.426 374 C N 3.899 123.194 119.300 -0.008 0.000 3.233 374 C HA 0.475 4.943 4.460 0.014 0.000 0.358 374 C C -1.109 173.879 174.990 -0.005 0.000 1.461 374 C CA -0.463 58.552 59.018 -0.005 0.000 1.180 374 C CB 1.588 29.325 27.740 -0.006 0.000 1.604 374 C HN 0.936 nan 8.230 nan 0.000 0.437 375 N N -0.368 118.330 118.700 -0.004 0.000 2.390 375 N HA 0.543 5.291 4.740 0.014 0.000 0.259 375 N C -1.545 173.962 175.510 -0.004 0.000 1.395 375 N CA 0.149 53.197 53.050 -0.004 0.000 0.852 375 N CB 1.089 39.575 38.487 -0.002 0.000 1.371 375 N HN 0.649 nan 8.380 nan 0.000 0.491 376 V N 1.929 121.840 119.914 -0.005 0.000 2.711 376 V HA 0.498 4.627 4.120 0.014 0.000 0.304 376 V C -2.380 173.712 176.094 -0.004 0.000 1.097 376 V CA -1.420 60.877 62.300 -0.005 0.000 0.906 376 V CB 2.370 34.189 31.823 -0.006 0.000 1.015 376 V HN 0.053 nan 8.190 nan 0.000 0.427 377 P HA 0.242 nan 4.420 nan 0.000 0.276 377 P C 0.957 178.256 177.300 -0.003 0.000 1.243 377 P CA 1.166 64.264 63.100 -0.003 0.000 0.768 377 P CB 1.161 32.860 31.700 -0.002 0.000 0.856 378 G N 2.838 111.636 108.800 -0.003 0.000 2.302 378 G HA2 -0.300 3.669 3.960 0.014 0.000 0.263 378 G HA3 -0.300 3.669 3.960 0.014 0.000 0.263 378 G C 0.449 175.347 174.900 -0.002 0.000 0.995 378 G CA 0.601 45.700 45.100 -0.002 0.000 0.622 378 G HN 0.859 nan 8.290 nan 0.000 0.538 379 S N 0.358 116.056 115.700 -0.003 0.000 2.584 379 S HA 0.559 5.038 4.470 0.014 0.000 0.270 379 S C 1.605 176.204 174.600 -0.002 0.000 1.346 379 S CA 0.708 58.907 58.200 -0.002 0.000 1.018 379 S CB 1.500 64.699 63.200 -0.003 0.000 0.899 379 S HN 0.906 nan 8.310 nan 0.000 0.542 380 S N 1.243 116.943 115.700 -0.001 0.000 2.422 380 S HA -0.203 4.276 4.470 0.014 0.000 0.241 380 S C 1.569 176.168 174.600 -0.002 0.000 1.076 380 S CA 1.809 60.009 58.200 -0.000 0.000 1.066 380 S CB -0.770 62.431 63.200 0.001 0.000 0.890 380 S HN 0.640 nan 8.310 nan 0.000 0.465 381 L N 0.684 121.905 121.223 -0.004 0.000 2.049 381 L HA -0.062 4.286 4.340 0.014 0.000 0.203 381 L C 2.335 179.200 176.870 -0.008 0.000 1.074 381 L CA 0.835 55.671 54.840 -0.007 0.000 0.749 381 L CB -0.456 41.597 42.059 -0.009 0.000 0.907 381 L HN 0.196 nan 8.230 nan 0.000 0.439 382 V N -0.138 119.771 119.914 -0.007 0.000 2.250 382 V HA -0.392 3.737 4.120 0.014 0.000 0.250 382 V C 2.565 178.656 176.094 -0.005 0.000 1.060 382 V CA 2.061 64.357 62.300 -0.006 0.000 1.030 382 V CB -0.784 31.036 31.823 -0.005 0.000 0.643 382 V HN 0.429 nan 8.190 nan 0.000 0.445 383 R N -0.168 120.330 120.500 -0.003 0.000 2.091 383 R HA -0.179 4.170 4.340 0.014 0.000 0.238 383 R C 2.057 178.355 176.300 -0.002 0.000 1.136 383 R CA 1.872 57.971 56.100 -0.002 0.000 0.959 383 R CB -0.165 30.134 30.300 -0.001 0.000 0.856 383 R HN 0.660 nan 8.270 nan 0.000 0.437 384 E N -0.556 119.642 120.200 -0.002 0.000 2.474 384 E HA 0.098 4.457 4.350 0.014 0.000 0.195 384 E C -0.322 176.276 176.600 -0.004 0.000 1.039 384 E CA -0.189 56.210 56.400 -0.001 0.000 0.881 384 E CB 0.936 30.637 29.700 0.001 0.000 0.970 384 E HN 0.023 nan 8.360 nan 0.000 0.486 385 S N 1.260 116.955 115.700 -0.008 0.000 2.585 385 S HA 0.064 4.543 4.470 0.014 0.000 0.277 385 S C 0.542 175.137 174.600 -0.009 0.000 1.241 385 S CA -0.768 57.424 58.200 -0.013 0.000 1.041 385 S CB 1.128 64.317 63.200 -0.019 0.000 0.987 385 S HN 0.119 nan 8.310 nan 0.000 0.512 386 D N 1.140 121.535 120.400 -0.009 0.000 2.084 386 D HA -0.028 4.620 4.640 0.014 0.000 0.194 386 D C 0.224 176.520 176.300 -0.006 0.000 0.990 386 D CA 1.373 55.370 54.000 -0.005 0.000 0.826 386 D CB 0.009 40.807 40.800 -0.003 0.000 0.971 386 D HN 0.287 nan 8.370 nan 0.000 0.453 387 L N -0.030 121.187 121.223 -0.010 0.000 2.365 387 L HA 0.577 4.926 4.340 0.014 0.000 0.273 387 L C -0.396 176.467 176.870 -0.011 0.000 1.000 387 L CA -0.750 54.084 54.840 -0.009 0.000 0.819 387 L CB 2.307 44.361 42.059 -0.009 0.000 1.284 387 L HN -0.128 nan 8.230 nan 0.000 0.418 388 A N 3.363 126.179 122.820 -0.008 0.000 2.356 388 A HA 0.888 5.216 4.320 0.014 0.000 0.323 388 A C -0.476 177.104 177.584 -0.006 0.000 1.119 388 A CA -0.376 51.657 52.037 -0.008 0.000 0.790 388 A CB 1.344 20.340 19.000 -0.007 0.000 1.273 388 A HN 0.760 nan 8.150 nan 0.000 0.452 389 L N 2.265 123.484 121.223 -0.007 0.000 2.980 389 L HA 0.159 4.508 4.340 0.014 0.000 0.314 389 L C -0.416 176.450 176.870 -0.007 0.000 1.303 389 L CA -0.396 54.441 54.840 -0.006 0.000 0.785 389 L CB 0.420 42.476 42.059 -0.004 0.000 1.190 389 L HN 0.704 nan 8.230 nan 0.000 0.567 390 M N 0.819 120.415 119.600 -0.006 0.000 2.508 390 M HA -0.096 4.393 4.480 0.014 0.000 0.447 390 M C 1.442 177.738 176.300 -0.006 0.000 1.654 390 M CA 0.816 56.112 55.300 -0.006 0.000 0.944 390 M CB -0.400 32.197 32.600 -0.004 0.000 2.088 390 M HN 0.345 nan 8.290 nan 0.000 0.506 391 T N -0.224 114.326 114.554 -0.007 0.000 3.160 391 T HA -0.037 4.321 4.350 0.014 0.000 0.257 391 T C 0.836 175.533 174.700 -0.005 0.000 1.147 391 T CA -0.061 62.034 62.100 -0.008 0.000 1.064 391 T CB -0.849 68.013 68.868 -0.011 0.000 0.949 391 T HN 0.788 nan 8.240 nan 0.000 0.526 392 N N 1.503 120.200 118.700 -0.004 0.000 2.931 392 N HA -0.195 4.554 4.740 0.014 0.000 0.311 392 N C 0.648 176.158 175.510 -0.000 0.000 1.118 392 N CA 0.264 53.313 53.050 -0.002 0.000 0.785 392 N CB -0.226 38.261 38.487 -0.000 0.000 1.002 392 N HN 0.555 nan 8.380 nan 0.000 0.603 393 A N 1.801 124.620 122.820 -0.001 0.000 2.308 393 A HA 0.471 4.799 4.320 0.014 0.000 0.217 393 A C 1.364 178.949 177.584 0.002 0.000 1.216 393 A CA 0.815 52.852 52.037 0.000 0.000 0.864 393 A CB -0.144 18.855 19.000 -0.001 0.000 0.902 393 A HN 1.482 nan 8.150 nan 0.000 0.499 394 G N -0.465 108.336 108.800 0.002 0.000 2.860 394 G HA2 -0.018 3.951 3.960 0.014 0.000 0.553 394 G HA3 -0.018 3.951 3.960 0.014 0.000 0.553 394 G C 0.033 174.930 174.900 -0.005 0.000 1.439 394 G CA -0.258 44.843 45.100 0.003 0.000 0.879 394 G HN 1.335 nan 8.290 nan 0.000 0.545 395 T N -1.853 112.694 114.554 -0.011 0.000 2.918 395 T HA 0.655 5.014 4.350 0.014 0.000 0.283 395 T C 0.076 174.756 174.700 -0.033 0.000 1.001 395 T CA -0.138 61.947 62.100 -0.025 0.000 1.041 395 T CB 2.343 71.190 68.868 -0.036 0.000 1.028 395 T HN 0.728 nan 8.240 nan 0.000 0.511 396 E N 1.035 121.211 120.200 -0.039 0.000 2.081 396 E HA 0.280 4.639 4.350 0.014 0.000 0.276 396 E C 0.528 177.079 176.600 -0.082 0.000 0.950 396 E CA -0.644 55.730 56.400 -0.043 0.000 0.776 396 E CB 0.481 30.167 29.700 -0.024 0.000 1.094 396 E HN 0.551 nan 8.360 nan 0.000 0.402 397 I N 2.805 123.290 120.570 -0.141 0.000 2.731 397 I HA 0.073 4.252 4.170 0.014 0.000 0.260 397 I C 1.355 177.393 176.117 -0.133 0.000 1.138 397 I CA 0.458 61.605 61.300 -0.254 0.000 1.461 397 I CB -0.790 36.788 38.000 -0.702 0.000 1.128 397 I HN 0.486 nan 8.210 nan 0.000 0.438 398 G N 1.109 109.895 108.800 -0.023 0.000 2.432 398 G HA2 0.282 4.250 3.960 0.014 0.000 0.239 398 G HA3 0.282 4.250 3.960 0.014 0.000 0.239 398 G C 1.040 175.943 174.900 0.005 0.000 1.291 398 G CA -0.289 44.836 45.100 0.042 0.000 0.863 398 G HN 0.053 nan 8.290 nan 0.000 0.560 399 V N 1.946 121.869 119.914 0.015 0.000 2.809 399 V HA 0.064 4.193 4.120 0.014 0.000 0.256 399 V C 1.975 178.069 176.094 0.000 0.000 1.080 399 V CA 1.250 63.554 62.300 0.007 0.000 1.102 399 V CB -1.080 30.753 31.823 0.017 0.000 0.705 399 V HN 0.853 nan 8.190 nan 0.000 0.475 400 A N 0.441 123.258 122.820 -0.006 0.000 2.350 400 A HA 0.412 4.741 4.320 0.014 0.000 0.293 400 A C 0.686 178.248 177.584 -0.037 0.000 1.231 400 A CA 0.082 52.103 52.037 -0.027 0.000 0.883 400 A CB -0.129 18.847 19.000 -0.041 0.000 1.133 400 A HN 0.260 nan 8.150 nan 0.000 0.533 401 S N 2.212 117.896 115.700 -0.027 0.000 2.737 401 S HA 0.143 4.622 4.470 0.014 0.000 0.315 401 S C 1.359 175.940 174.600 -0.031 0.000 1.236 401 S CA 0.767 58.962 58.200 -0.008 0.000 1.093 401 S CB 0.185 63.405 63.200 0.034 0.000 0.832 401 S HN 0.881 nan 8.310 nan 0.000 0.507 402 T N 3.760 118.302 114.554 -0.020 0.000 3.397 402 T HA 0.073 4.432 4.350 0.014 0.000 0.233 402 T C 1.803 176.521 174.700 0.030 0.000 0.969 402 T CA -0.225 61.852 62.100 -0.038 0.000 1.316 402 T CB -0.205 68.604 68.868 -0.098 0.000 1.175 402 T HN 0.619 nan 8.240 nan 0.000 0.381 403 K N 2.431 122.834 120.400 0.004 0.000 2.025 403 K HA 0.228 4.557 4.320 0.014 0.000 0.207 403 K C 2.589 179.216 176.600 0.045 0.000 1.049 403 K CA 1.220 57.517 56.287 0.016 0.000 0.933 403 K CB -0.782 31.712 32.500 -0.010 0.000 0.714 403 K HN 0.250 nan 8.250 nan 0.000 0.438 404 A N 1.138 123.984 122.820 0.043 0.000 2.023 404 A HA -0.226 4.103 4.320 0.014 0.000 0.223 404 A C 1.956 179.597 177.584 0.096 0.000 1.180 404 A CA 1.805 53.873 52.037 0.053 0.000 0.659 404 A CB -0.861 18.168 19.000 0.048 0.000 0.817 404 A HN 0.551 nan 8.150 nan 0.000 0.466 405 F N 1.324 121.258 119.950 -0.027 0.000 2.094 405 F HA -0.099 4.437 4.527 0.016 0.000 0.291 405 F C 2.778 178.573 175.800 -0.008 0.000 1.109 405 F CA 2.317 60.303 58.000 -0.024 0.000 1.221 405 F CB -0.838 38.138 39.000 -0.042 0.000 1.014 405 F HN 0.312 nan 8.300 nan 0.000 0.473 406 T N -1.437 113.179 114.554 0.103 0.000 2.665 406 T HA -0.276 4.082 4.350 0.014 0.000 0.268 406 T C 2.039 176.713 174.700 -0.044 0.000 1.035 406 T CA 2.320 64.428 62.100 0.014 0.000 1.151 406 T CB -1.680 67.230 68.868 0.070 0.000 0.862 406 T HN 0.502 nan 8.240 nan 0.000 0.438 407 T N 1.369 115.910 114.554 -0.022 0.000 2.652 407 T HA -0.230 4.129 4.350 0.014 0.000 0.267 407 T C 2.108 176.776 174.700 -0.052 0.000 1.039 407 T CA 1.440 63.525 62.100 -0.026 0.000 1.153 407 T CB -0.861 68.000 68.868 -0.011 0.000 0.863 407 T HN 0.488 nan 8.240 nan 0.000 0.428 408 Q N 0.806 120.561 119.800 -0.075 0.000 2.152 408 Q HA -0.038 4.311 4.340 0.014 0.000 0.206 408 Q C 2.521 178.451 176.000 -0.116 0.000 0.985 408 Q CA 1.445 57.191 55.803 -0.093 0.000 0.863 408 Q CB -0.532 28.137 28.738 -0.115 0.000 0.904 408 Q HN 0.526 nan 8.270 nan 0.000 0.422 409 L N -0.087 121.021 121.223 -0.192 0.000 2.056 409 L HA -0.187 4.162 4.340 0.014 0.000 0.207 409 L C 2.439 179.344 176.870 0.058 0.000 1.078 409 L CA 1.210 55.996 54.840 -0.090 0.000 0.749 409 L CB -0.550 41.395 42.059 -0.190 0.000 0.901 409 L HN 0.283 nan 8.230 nan 0.000 0.433 410 T N -0.539 114.010 114.554 -0.010 0.000 2.635 410 T HA -0.212 4.147 4.350 0.014 0.000 0.267 410 T C 1.905 176.572 174.700 -0.056 0.000 1.040 410 T CA 1.667 63.744 62.100 -0.038 0.000 1.156 410 T CB -0.180 68.668 68.868 -0.033 0.000 0.863 410 T HN 0.050 nan 8.240 nan 0.000 0.430 411 V N 1.142 121.034 119.914 -0.036 0.000 2.244 411 V HA -0.109 4.020 4.120 0.014 0.000 0.244 411 V C 2.533 178.616 176.094 -0.018 0.000 1.042 411 V CA 1.496 63.779 62.300 -0.029 0.000 1.006 411 V CB -0.678 31.135 31.823 -0.017 0.000 0.641 411 V HN 0.434 nan 8.190 nan 0.000 0.446 412 L N -0.931 120.299 121.223 0.011 0.000 2.113 412 L HA -0.319 4.030 4.340 0.014 0.000 0.221 412 L C 2.409 179.249 176.870 -0.051 0.000 1.084 412 L CA 1.817 56.685 54.840 0.046 0.000 0.787 412 L CB -0.495 41.627 42.059 0.105 0.000 0.893 412 L HN 0.353 nan 8.230 nan 0.000 0.440 413 L N -1.268 119.882 121.223 -0.122 0.000 2.109 413 L HA -0.164 4.185 4.340 0.014 0.000 0.207 413 L C 2.345 179.045 176.870 -0.283 0.000 1.086 413 L CA 1.560 56.173 54.840 -0.378 0.000 0.760 413 L CB -0.301 41.411 42.059 -0.578 0.000 0.910 413 L HN 0.167 nan 8.230 nan 0.000 0.437 414 M N -1.650 117.850 119.600 -0.168 0.000 2.084 414 M HA -0.262 4.227 4.480 0.014 0.000 0.259 414 M C 2.246 178.494 176.300 -0.087 0.000 1.072 414 M CA 1.813 57.040 55.300 -0.122 0.000 1.107 414 M CB -0.860 31.693 32.600 -0.079 0.000 1.299 414 M HN 0.230 nan 8.290 nan 0.000 0.413 415 L N 0.601 121.803 121.223 -0.034 0.000 2.103 415 L HA -0.232 4.117 4.340 0.014 0.000 0.215 415 L C 2.291 179.206 176.870 0.075 0.000 1.080 415 L CA 1.513 56.376 54.840 0.038 0.000 0.764 415 L CB -0.477 41.647 42.059 0.108 0.000 0.890 415 L HN 0.111 nan 8.230 nan 0.000 0.435 416 V N -0.745 119.142 119.914 -0.045 0.000 2.287 416 V HA -0.349 3.780 4.120 0.014 0.000 0.248 416 V C 2.684 178.742 176.094 -0.061 0.000 1.053 416 V CA 1.791 64.034 62.300 -0.095 0.000 1.027 416 V CB -1.613 29.968 31.823 -0.403 0.000 0.646 416 V HN 0.604 nan 8.190 nan 0.000 0.447 417 A N 0.310 123.057 122.820 -0.123 0.000 1.858 417 A HA -0.280 4.049 4.320 0.014 0.000 0.216 417 A C 2.283 179.821 177.584 -0.076 0.000 1.190 417 A CA 2.360 54.325 52.037 -0.122 0.000 0.617 417 A CB -0.614 18.294 19.000 -0.153 0.000 0.827 417 A HN 0.497 nan 8.150 nan 0.000 0.443 418 K N -0.591 119.779 120.400 -0.050 0.000 2.059 418 K HA -0.143 4.186 4.320 0.014 0.000 0.212 418 K C 1.733 178.326 176.600 -0.012 0.000 1.050 418 K CA 1.635 57.905 56.287 -0.029 0.000 0.927 418 K CB -0.314 32.178 32.500 -0.013 0.000 0.714 418 K HN 0.331 nan 8.250 nan 0.000 0.447 419 L N 0.817 122.053 121.223 0.020 0.000 2.217 419 L HA -0.067 4.281 4.340 0.014 0.000 0.211 419 L C 2.296 179.178 176.870 0.020 0.000 1.107 419 L CA 1.960 56.821 54.840 0.035 0.000 0.783 419 L CB -1.217 40.897 42.059 0.092 0.000 0.919 419 L HN 0.414 nan 8.230 nan 0.000 0.442 420 S N -0.977 114.725 115.700 0.003 0.000 2.406 420 S HA -0.147 4.331 4.470 0.014 0.000 0.228 420 S C 2.094 176.673 174.600 -0.034 0.000 1.020 420 S CA 0.494 58.686 58.200 -0.014 0.000 0.965 420 S CB -0.176 63.000 63.200 -0.041 0.000 0.798 420 S HN 0.339 nan 8.310 nan 0.000 0.488 421 R N 0.270 120.740 120.500 -0.050 0.000 2.062 421 R HA 0.269 4.617 4.340 0.014 0.000 0.226 421 R C 1.394 177.674 176.300 -0.033 0.000 1.125 421 R CA 0.574 56.640 56.100 -0.056 0.000 0.966 421 R CB -0.321 29.933 30.300 -0.076 0.000 0.861 421 R HN 0.281 nan 8.270 nan 0.000 0.433 422 L N 1.325 122.534 121.223 -0.023 0.000 2.885 422 L HA -0.062 4.286 4.340 0.014 0.000 0.258 422 L C 0.748 177.613 176.870 -0.008 0.000 1.146 422 L CA 1.580 56.412 54.840 -0.014 0.000 0.922 422 L CB -0.376 41.678 42.059 -0.009 0.000 1.138 422 L HN 0.232 nan 8.230 nan 0.000 0.431 423 K N -2.179 118.215 120.400 -0.010 0.000 2.613 423 K HA 0.198 4.527 4.320 0.014 0.000 0.209 423 K C 1.094 177.690 176.600 -0.007 0.000 1.556 423 K CA 0.557 56.842 56.287 -0.005 0.000 1.017 423 K CB 1.319 33.820 32.500 0.002 0.000 1.291 423 K HN 0.180 nan 8.250 nan 0.000 0.629 424 G N 1.269 110.060 108.800 -0.014 0.000 2.349 424 G HA2 -0.248 3.721 3.960 0.014 0.000 0.213 424 G HA3 -0.248 3.721 3.960 0.014 0.000 0.213 424 G C 0.065 174.953 174.900 -0.019 0.000 1.044 424 G CA -0.020 45.071 45.100 -0.015 0.000 0.633 424 G HN 0.022 nan 8.290 nan 0.000 0.506 425 L N 1.390 122.602 121.223 -0.018 0.000 2.453 425 L HA 0.239 4.587 4.340 0.014 0.000 0.283 425 L C 1.751 178.601 176.870 -0.032 0.000 1.284 425 L CA 1.196 56.025 54.840 -0.019 0.000 0.822 425 L CB 0.031 42.082 42.059 -0.012 0.000 1.081 425 L HN 0.199 nan 8.230 nan 0.000 0.562 426 D N 0.576 120.960 120.400 -0.026 0.000 2.424 426 D HA -0.203 4.445 4.640 0.014 0.000 0.221 426 D C 1.656 177.928 176.300 -0.046 0.000 0.978 426 D CA 1.086 55.071 54.000 -0.026 0.000 0.971 426 D CB -0.121 40.672 40.800 -0.012 0.000 0.869 426 D HN 0.695 nan 8.370 nan 0.000 0.506 427 A N -0.877 121.893 122.820 -0.084 0.000 2.883 427 A HA -0.395 3.933 4.320 0.014 0.000 0.293 427 A C 2.100 179.546 177.584 -0.229 0.000 1.247 427 A CA 2.202 54.139 52.037 -0.166 0.000 1.103 427 A CB -2.008 16.896 19.000 -0.160 0.000 0.806 427 A HN 0.508 nan 8.150 nan 0.000 0.529 428 S N -0.846 114.800 115.700 -0.089 0.000 2.377 428 S HA 0.034 4.513 4.470 0.014 0.000 0.223 428 S C 1.631 176.200 174.600 -0.052 0.000 1.030 428 S CA 1.101 59.298 58.200 -0.005 0.000 0.970 428 S CB -0.576 62.647 63.200 0.039 0.000 0.830 428 S HN 0.583 nan 8.310 nan 0.000 0.473 429 I N 2.143 122.669 120.570 -0.074 0.000 2.530 429 I HA -0.154 4.025 4.170 0.014 0.000 0.257 429 I C 2.885 178.913 176.117 -0.148 0.000 1.179 429 I CA 1.371 62.619 61.300 -0.087 0.000 1.440 429 I CB -0.250 37.714 38.000 -0.060 0.000 1.087 429 I HN 0.442 nan 8.210 nan 0.000 0.440 430 E N 0.044 120.113 120.200 -0.218 0.000 2.072 430 E HA -0.216 4.142 4.350 0.014 0.000 0.190 430 E C 2.075 178.508 176.600 -0.279 0.000 0.982 430 E CA 1.071 57.303 56.400 -0.280 0.000 0.803 430 E CB 0.076 29.552 29.700 -0.373 0.000 0.755 430 E HN 0.557 nan 8.360 nan 0.000 0.453 431 H N 1.009 119.928 119.070 -0.250 0.000 2.363 431 H HA -0.063 4.501 4.556 0.014 0.000 0.301 431 H C 1.725 176.592 175.328 -0.767 0.000 1.074 431 H CA 1.176 56.932 56.048 -0.488 0.000 1.354 431 H CB -0.219 29.343 29.762 -0.334 0.000 1.397 431 H HN 0.229 nan 8.280 nan 0.000 0.516 432 D N 0.994 121.285 120.400 -0.182 0.000 2.160 432 D HA -0.182 4.467 4.640 0.014 0.000 0.189 432 D C 2.400 178.615 176.300 -0.142 0.000 1.003 432 D CA 1.246 55.220 54.000 -0.042 0.000 0.846 432 D CB -0.554 40.243 40.800 -0.005 0.000 0.949 432 D HN 0.324 nan 8.370 nan 0.000 0.446 433 I N 0.961 121.411 120.570 -0.200 0.000 2.087 433 I HA -0.304 3.874 4.170 0.014 0.000 0.240 433 I C 2.618 178.607 176.117 -0.212 0.000 1.054 433 I CA 1.144 62.299 61.300 -0.243 0.000 1.311 433 I CB -0.702 37.128 38.000 -0.284 0.000 1.024 433 I HN -0.075 nan 8.210 nan 0.000 0.402 434 V N 0.541 120.314 119.914 -0.236 0.000 2.332 434 V HA -0.304 3.824 4.120 0.014 0.000 0.248 434 V C 2.482 178.492 176.094 -0.140 0.000 1.055 434 V CA 2.015 64.201 62.300 -0.191 0.000 1.038 434 V CB -1.355 30.373 31.823 -0.160 0.000 0.651 434 V HN 0.393 nan 8.190 nan 0.000 0.450 435 H N 1.365 120.415 119.070 -0.034 0.000 2.253 435 H HA -0.109 4.455 4.556 0.014 0.000 0.296 435 H C 2.606 177.899 175.328 -0.058 0.000 1.067 435 H CA 1.944 57.965 56.048 -0.046 0.000 1.245 435 H CB -1.242 28.495 29.762 -0.041 0.000 1.364 435 H HN 0.449 nan 8.280 nan 0.000 0.494 436 G N 2.018 110.852 108.800 0.057 0.000 2.505 436 G HA2 -0.233 3.736 3.960 0.014 0.000 0.220 436 G HA3 -0.233 3.736 3.960 0.014 0.000 0.220 436 G C 1.914 176.786 174.900 -0.046 0.000 1.145 436 G CA 0.717 45.805 45.100 -0.021 0.000 0.761 436 G HN 0.214 nan 8.290 nan 0.000 0.571 437 L N 0.066 121.245 121.223 -0.072 0.000 2.013 437 L HA -0.170 4.179 4.340 0.014 0.000 0.212 437 L C 3.044 179.892 176.870 -0.036 0.000 1.073 437 L CA 2.127 56.922 54.840 -0.075 0.000 0.753 437 L CB -0.853 41.145 42.059 -0.102 0.000 0.890 437 L HN 0.423 nan 8.230 nan 0.000 0.432 438 Q N -1.255 118.536 119.800 -0.015 0.000 2.187 438 Q HA -0.059 4.290 4.340 0.014 0.000 0.199 438 Q C 2.294 178.295 176.000 0.002 0.000 0.957 438 Q CA 1.134 56.937 55.803 0.001 0.000 0.857 438 Q CB -0.128 28.619 28.738 0.016 0.000 0.929 438 Q HN 0.530 nan 8.270 nan 0.000 0.453 439 A N 1.214 124.033 122.820 -0.001 0.000 1.917 439 A HA -0.238 4.091 4.320 0.014 0.000 0.219 439 A C 2.067 179.642 177.584 -0.016 0.000 1.182 439 A CA 1.396 53.424 52.037 -0.016 0.000 0.633 439 A CB -0.809 18.170 19.000 -0.035 0.000 0.819 439 A HN 0.399 nan 8.150 nan 0.000 0.448 440 L N 0.193 121.407 121.223 -0.014 0.000 1.971 440 L HA -0.135 4.214 4.340 0.014 0.000 0.215 440 L C -0.569 176.318 176.870 0.028 0.000 1.072 440 L CA 2.605 57.445 54.840 0.001 0.000 0.758 440 L CB -1.007 41.054 42.059 0.003 0.000 0.889 440 L HN 0.196 nan 8.230 nan 0.000 0.433 441 P HA -0.204 nan 4.420 nan 0.000 0.216 441 P C 1.691 179.019 177.300 0.047 0.000 1.154 441 P CA 2.252 65.373 63.100 0.035 0.000 0.865 441 P CB -0.209 31.506 31.700 0.025 0.000 0.789 442 S N -1.860 113.864 115.700 0.040 0.000 2.528 442 S HA 0.077 4.556 4.470 0.014 0.000 0.219 442 S C 1.825 176.465 174.600 0.065 0.000 0.985 442 S CA 0.004 58.234 58.200 0.049 0.000 0.914 442 S CB -0.563 62.658 63.200 0.036 0.000 0.776 442 S HN 0.042 nan 8.310 nan 0.000 0.526 443 R N 0.395 120.930 120.500 0.058 0.000 2.119 443 R HA 0.237 4.585 4.340 0.014 0.000 0.222 443 R C 1.825 178.281 176.300 0.260 0.000 1.088 443 R CA 1.085 57.236 56.100 0.085 0.000 0.984 443 R CB -0.469 29.786 30.300 -0.074 0.000 0.884 443 R HN 0.445 nan 8.270 nan 0.000 0.447 444 I N 1.018 121.701 120.570 0.189 0.000 2.394 444 I HA -0.206 3.973 4.170 0.014 0.000 0.251 444 I C 1.900 178.080 176.117 0.106 0.000 1.136 444 I CA 1.333 62.726 61.300 0.155 0.000 1.425 444 I CB -0.028 38.023 38.000 0.086 0.000 1.079 444 I HN 0.122 nan 8.210 nan 0.000 0.425 445 E N 0.023 120.286 120.200 0.105 0.000 2.204 445 E HA -0.212 4.147 4.350 0.014 0.000 0.194 445 E C 2.148 178.814 176.600 0.111 0.000 0.989 445 E CA 0.621 57.083 56.400 0.104 0.000 0.824 445 E CB 0.068 29.824 29.700 0.093 0.000 0.756 445 E HN 0.468 nan 8.360 nan 0.000 0.477 446 Q N -0.011 119.869 119.800 0.133 0.000 1.975 446 Q HA -0.238 4.111 4.340 0.014 0.000 0.205 446 Q C 2.290 178.361 176.000 0.118 0.000 0.990 446 Q CA 1.513 57.405 55.803 0.148 0.000 0.845 446 Q CB -0.324 28.552 28.738 0.230 0.000 0.913 446 Q HN 0.286 nan 8.270 nan 0.000 0.420 447 M N 0.899 120.555 119.600 0.094 0.000 2.082 447 M HA -0.161 4.327 4.480 0.014 0.000 0.258 447 M C 2.007 178.282 176.300 -0.041 0.000 1.069 447 M CA 1.483 56.731 55.300 -0.087 0.000 1.102 447 M CB -0.468 31.942 32.600 -0.316 0.000 1.336 447 M HN 0.151 nan 8.290 nan 0.000 0.404 448 L N -0.557 120.670 121.223 0.006 0.000 2.081 448 L HA -0.257 4.091 4.340 0.014 0.000 0.212 448 L C 2.415 179.393 176.870 0.180 0.000 1.080 448 L CA 1.620 56.505 54.840 0.076 0.000 0.754 448 L CB -1.176 40.977 42.059 0.157 0.000 0.893 448 L HN 0.500 nan 8.230 nan 0.000 0.433 449 S N -1.189 114.591 115.700 0.134 0.000 2.383 449 S HA -0.230 4.249 4.470 0.014 0.000 0.227 449 S C 1.851 176.511 174.600 0.101 0.000 1.026 449 S CA 0.677 58.950 58.200 0.121 0.000 0.981 449 S CB -0.385 62.870 63.200 0.092 0.000 0.818 449 S HN 0.315 nan 8.310 nan 0.000 0.472 450 Q N 1.639 121.486 119.800 0.078 0.000 2.515 450 Q HA -0.033 4.316 4.340 0.014 0.000 0.215 450 Q C 1.328 177.372 176.000 0.074 0.000 0.983 450 Q CA 0.919 56.758 55.803 0.060 0.000 0.905 450 Q CB -0.719 28.037 28.738 0.030 0.000 0.961 450 Q HN 0.724 nan 8.270 nan 0.000 0.503 451 D N 0.152 120.626 120.400 0.123 0.000 2.708 451 D HA -0.304 4.344 4.640 0.014 0.000 0.217 451 D C 1.377 177.731 176.300 0.090 0.000 1.094 451 D CA 1.969 56.078 54.000 0.183 0.000 0.941 451 D CB 0.136 41.130 40.800 0.322 0.000 1.220 451 D HN -0.058 nan 8.370 nan 0.000 0.495 452 K N -0.135 120.301 120.400 0.061 0.000 2.137 452 K HA -0.262 4.067 4.320 0.014 0.000 0.216 452 K C 2.312 178.891 176.600 -0.035 0.000 1.052 452 K CA 1.672 57.954 56.287 -0.009 0.000 0.939 452 K CB -0.746 31.762 32.500 0.012 0.000 0.724 452 K HN 0.304 nan 8.250 nan 0.000 0.465 453 R N 0.079 120.581 120.500 0.003 0.000 2.237 453 R HA 0.006 4.355 4.340 0.014 0.000 0.219 453 R C 1.990 178.286 176.300 -0.007 0.000 1.080 453 R CA 0.644 56.746 56.100 0.004 0.000 0.995 453 R CB 0.112 30.430 30.300 0.031 0.000 0.875 453 R HN 0.119 nan 8.270 nan 0.000 0.462 454 I N -0.246 120.316 120.570 -0.014 0.000 2.556 454 I HA -0.104 4.075 4.170 0.014 0.000 0.251 454 I C 2.025 178.064 176.117 -0.130 0.000 1.105 454 I CA 0.775 62.072 61.300 -0.006 0.000 1.436 454 I CB -1.080 36.968 38.000 0.080 0.000 1.139 454 I HN 0.271 nan 8.210 nan 0.000 0.438 455 E N 1.357 121.328 120.200 -0.382 0.000 2.197 455 E HA -0.295 4.063 4.350 0.014 0.000 0.205 455 E C 2.206 178.678 176.600 -0.213 0.000 1.029 455 E CA 1.867 57.936 56.400 -0.553 0.000 0.828 455 E CB 0.128 29.470 29.700 -0.598 0.000 0.737 455 E HN 0.483 nan 8.360 nan 0.000 0.464 456 A N 0.717 123.462 122.820 -0.125 0.000 1.858 456 A HA -0.179 4.150 4.320 0.014 0.000 0.216 456 A C 2.118 179.674 177.584 -0.047 0.000 1.190 456 A CA 1.490 53.486 52.037 -0.068 0.000 0.617 456 A CB -0.638 18.338 19.000 -0.040 0.000 0.827 456 A HN 0.362 nan 8.150 nan 0.000 0.443 457 L N -0.459 120.740 121.223 -0.040 0.000 2.217 457 L HA 0.125 4.473 4.340 0.014 0.000 0.211 457 L C 2.376 179.264 176.870 0.030 0.000 1.107 457 L CA 1.942 56.770 54.840 -0.021 0.000 0.783 457 L CB -0.642 41.393 42.059 -0.040 0.000 0.919 457 L HN 0.291 nan 8.230 nan 0.000 0.442 458 A N -0.430 122.383 122.820 -0.013 0.000 2.019 458 A HA -0.186 4.143 4.320 0.014 0.000 0.219 458 A C 2.070 179.697 177.584 0.072 0.000 1.164 458 A CA 1.561 53.612 52.037 0.024 0.000 0.644 458 A CB -0.548 18.455 19.000 0.004 0.000 0.805 458 A HN 0.656 nan 8.150 nan 0.000 0.449 459 E N 0.196 120.407 120.200 0.019 0.000 2.058 459 E HA -0.224 4.135 4.350 0.014 0.000 0.194 459 E C 1.247 177.844 176.600 -0.003 0.000 0.997 459 E CA 1.232 57.632 56.400 0.000 0.000 0.801 459 E CB -0.323 29.363 29.700 -0.023 0.000 0.746 459 E HN 0.506 nan 8.360 nan 0.000 0.450 460 D N -0.375 120.019 120.400 -0.010 0.000 2.271 460 D HA -0.160 4.489 4.640 0.014 0.000 0.207 460 D C 0.997 177.176 176.300 -0.201 0.000 0.983 460 D CA 1.095 55.022 54.000 -0.121 0.000 0.878 460 D CB -0.068 40.591 40.800 -0.235 0.000 0.920 460 D HN 0.192 nan 8.370 nan 0.000 0.479 461 F N -0.739 119.112 119.950 -0.165 0.000 2.728 461 F HA 0.109 4.646 4.527 0.017 0.000 0.314 461 F C 2.201 177.937 175.800 -0.106 0.000 1.094 461 F CA -0.106 57.812 58.000 -0.137 0.000 1.217 461 F CB 0.004 38.925 39.000 -0.132 0.000 1.056 461 F HN -0.145 nan 8.300 nan 0.000 0.577 462 S N -0.290 115.451 115.700 0.068 0.000 2.402 462 S HA -0.151 4.328 4.470 0.014 0.000 0.229 462 S C 1.137 175.710 174.600 -0.045 0.000 1.021 462 S CA 1.405 59.613 58.200 0.012 0.000 0.974 462 S CB -0.499 62.696 63.200 -0.008 0.000 0.800 462 S HN 0.402 nan 8.310 nan 0.000 0.484 463 D N 0.591 120.941 120.400 -0.084 0.000 2.525 463 D HA 0.255 4.904 4.640 0.014 0.000 0.229 463 D C 0.050 176.164 176.300 -0.310 0.000 1.202 463 D CA -0.342 53.562 54.000 -0.160 0.000 0.828 463 D CB -0.022 40.707 40.800 -0.119 0.000 1.008 463 D HN 0.188 nan 8.370 nan 0.000 0.493 464 K N -0.044 120.199 120.400 -0.261 0.000 2.095 464 K HA 0.323 4.652 4.320 0.014 0.000 0.252 464 K C 0.029 176.412 176.600 -0.362 0.000 0.977 464 K CA -0.603 55.506 56.287 -0.297 0.000 0.900 464 K CB 1.168 33.583 32.500 -0.142 0.000 1.060 464 K HN 0.163 nan 8.250 nan 0.000 0.449 465 H N -0.996 118.043 119.070 -0.052 0.000 2.893 465 H HA 0.208 4.771 4.556 0.011 0.000 0.270 465 H C -0.195 174.942 175.328 -0.319 0.000 1.095 465 H CA -0.104 55.844 56.048 -0.166 0.000 1.186 465 H CB 0.534 30.137 29.762 -0.264 0.000 1.562 465 H HN 0.361 nan 8.280 nan 0.000 0.536 466 H N -0.078 119.095 119.070 0.172 0.000 2.865 466 H HA 0.803 5.365 4.556 0.011 0.000 0.372 466 H C -0.725 174.661 175.328 0.096 0.000 1.173 466 H CA -0.817 55.298 56.048 0.112 0.000 1.147 466 H CB 2.316 32.099 29.762 0.035 0.000 1.805 466 H HN 0.235 nan 8.280 nan 0.000 0.553 467 A N 1.231 124.205 122.820 0.257 0.000 2.612 467 A HA 0.545 4.874 4.320 0.014 0.000 0.293 467 A C -2.003 175.709 177.584 0.213 0.000 1.075 467 A CA -0.532 51.639 52.037 0.223 0.000 0.680 467 A CB 2.147 21.349 19.000 0.336 0.000 1.279 467 A HN 0.382 nan 8.150 nan 0.000 0.411 468 L N 0.786 122.095 121.223 0.144 0.000 2.491 468 L HA 0.765 5.114 4.340 0.014 0.000 0.267 468 L C -2.061 174.887 176.870 0.130 0.000 0.971 468 L CA -0.193 54.742 54.840 0.159 0.000 0.857 468 L CB 0.870 42.955 42.059 0.043 0.000 1.226 468 L HN 0.534 nan 8.230 nan 0.000 0.408 469 F N 5.382 125.409 119.950 0.128 0.000 2.408 469 F HA 0.597 5.132 4.527 0.013 0.000 0.344 469 F C -0.153 175.723 175.800 0.127 0.000 1.112 469 F CA -0.331 57.742 58.000 0.122 0.000 1.096 469 F CB 1.437 40.473 39.000 0.061 0.000 1.129 469 F HN 0.236 nan 8.300 nan 0.000 0.486 470 L N 3.480 124.865 121.223 0.271 0.000 2.372 470 L HA 0.638 4.986 4.340 0.014 0.000 0.274 470 L C 0.084 177.074 176.870 0.200 0.000 0.988 470 L CA -0.514 54.469 54.840 0.238 0.000 0.833 470 L CB 1.551 43.713 42.059 0.172 0.000 1.236 470 L HN 0.749 nan 8.230 nan 0.000 0.410 471 G N 2.528 111.457 108.800 0.216 0.000 2.568 471 G HA2 0.729 4.698 3.960 0.014 0.000 0.313 471 G HA3 0.729 4.698 3.960 0.014 0.000 0.313 471 G C -1.386 173.644 174.900 0.217 0.000 1.227 471 G CA -0.509 44.693 45.100 0.171 0.000 0.979 471 G HN 0.530 nan 8.290 nan 0.000 0.486 472 R N -0.890 119.668 120.500 0.096 0.000 2.950 472 R HA 0.608 4.956 4.340 0.014 0.000 0.253 472 R C 1.327 177.562 176.300 -0.107 0.000 1.168 472 R CA 0.258 56.376 56.100 0.030 0.000 1.014 472 R CB 1.099 31.406 30.300 0.012 0.000 1.228 472 R HN 1.050 nan 8.270 nan 0.000 0.487 473 G N 1.477 110.174 108.800 -0.172 0.000 2.699 473 G HA2 -0.462 3.506 3.960 0.014 0.000 0.408 473 G HA3 -0.462 3.506 3.960 0.014 0.000 0.408 473 G C 0.594 174.799 174.900 -1.158 0.000 1.112 473 G CA 1.247 46.086 45.100 -0.435 0.000 0.885 473 G HN 0.917 nan 8.290 nan 0.000 0.690 474 D N -0.288 119.579 120.400 -0.888 0.000 2.363 474 D HA 0.010 4.659 4.640 0.014 0.000 0.220 474 D C 2.001 178.034 176.300 -0.445 0.000 0.994 474 D CA 1.176 54.653 54.000 -0.873 0.000 0.890 474 D CB -0.109 40.413 40.800 -0.463 0.000 0.906 474 D HN 0.389 nan 8.370 nan 0.000 0.530 475 Q N -0.190 119.434 119.800 -0.292 0.000 2.204 475 Q HA -0.066 4.282 4.340 0.014 0.000 0.198 475 Q C 1.792 177.733 176.000 -0.099 0.000 0.946 475 Q CA 0.326 56.038 55.803 -0.153 0.000 0.859 475 Q CB -0.748 27.914 28.738 -0.126 0.000 0.946 475 Q HN 0.481 nan 8.270 nan 0.000 0.474 476 Y N 2.543 122.728 120.300 -0.192 0.000 2.029 476 Y HA -0.263 4.296 4.550 0.014 0.000 0.269 476 Y C -0.919 174.942 175.900 -0.065 0.000 1.201 476 Y CA 2.542 60.578 58.100 -0.105 0.000 1.115 476 Y CB -1.318 37.082 38.460 -0.099 0.000 0.945 476 Y HN 0.153 nan 8.280 nan 0.000 0.497 477 P HA -0.185 nan 4.420 nan 0.000 0.226 477 P C 1.330 178.529 177.300 -0.168 0.000 1.146 477 P CA 1.465 64.477 63.100 -0.146 0.000 0.773 477 P CB -0.100 31.616 31.700 0.026 0.000 0.772 478 I N -1.022 119.460 120.570 -0.147 0.000 2.584 478 I HA -0.028 4.151 4.170 0.014 0.000 0.255 478 I C 2.185 178.199 176.117 -0.171 0.000 1.145 478 I CA 0.757 61.994 61.300 -0.104 0.000 1.462 478 I CB -1.784 36.200 38.000 -0.026 0.000 1.102 478 I HN -0.082 nan 8.210 nan 0.000 0.433 479 A N 1.400 124.120 122.820 -0.167 0.000 1.908 479 A HA -0.187 4.141 4.320 0.014 0.000 0.218 479 A C 2.367 179.752 177.584 -0.331 0.000 1.181 479 A CA 1.494 53.449 52.037 -0.137 0.000 0.627 479 A CB -0.910 18.063 19.000 -0.045 0.000 0.818 479 A HN 0.385 nan 8.150 nan 0.000 0.445 480 L N -0.908 120.080 121.223 -0.392 0.000 2.083 480 L HA -0.192 4.157 4.340 0.014 0.000 0.209 480 L C 2.591 179.271 176.870 -0.316 0.000 1.083 480 L CA 1.744 56.399 54.840 -0.308 0.000 0.752 480 L CB -0.356 41.577 42.059 -0.210 0.000 0.899 480 L HN 0.455 nan 8.230 nan 0.000 0.433 481 E N 0.205 120.195 120.200 -0.350 0.000 2.158 481 E HA -0.076 4.283 4.350 0.014 0.000 0.191 481 E C 2.063 178.372 176.600 -0.486 0.000 0.982 481 E CA 1.092 57.224 56.400 -0.448 0.000 0.823 481 E CB -0.332 28.967 29.700 -0.669 0.000 0.766 481 E HN 0.292 nan 8.360 nan 0.000 0.468 482 G N 0.978 109.453 108.800 -0.541 0.000 2.639 482 G HA2 -0.304 3.665 3.960 0.014 0.000 0.216 482 G HA3 -0.304 3.665 3.960 0.014 0.000 0.216 482 G C 1.735 175.816 174.900 -1.366 0.000 1.267 482 G CA 1.876 46.484 45.100 -0.818 0.000 0.801 482 G HN 0.472 nan 8.290 nan 0.000 0.592 483 A N 0.305 121.963 122.820 -1.936 0.000 1.923 483 A HA -0.223 4.106 4.320 0.014 0.000 0.222 483 A C 2.437 179.764 177.584 -0.428 0.000 1.258 483 A CA 2.485 53.936 52.037 -0.978 0.000 0.670 483 A CB -0.815 17.915 19.000 -0.451 0.000 0.834 483 A HN 0.657 nan 8.150 nan 0.000 0.470 484 L N -0.799 120.208 121.223 -0.359 0.000 2.012 484 L HA -0.149 4.199 4.340 0.014 0.000 0.210 484 L C 2.171 178.940 176.870 -0.167 0.000 1.073 484 L CA 2.395 57.116 54.840 -0.198 0.000 0.748 484 L CB -0.622 41.330 42.059 -0.178 0.000 0.891 484 L HN 0.241 nan 8.230 nan 0.000 0.431 485 K N -0.866 119.395 120.400 -0.233 0.000 2.148 485 K HA -0.067 4.262 4.320 0.014 0.000 0.204 485 K C 2.059 178.594 176.600 -0.108 0.000 1.050 485 K CA 0.927 57.113 56.287 -0.168 0.000 0.942 485 K CB -0.572 31.802 32.500 -0.209 0.000 0.724 485 K HN 0.250 nan 8.250 nan 0.000 0.446 486 L N 1.747 122.901 121.223 -0.115 0.000 2.044 486 L HA -0.073 4.275 4.340 0.014 0.000 0.205 486 L C 1.974 178.862 176.870 0.031 0.000 1.075 486 L CA 1.725 56.559 54.840 -0.010 0.000 0.747 486 L CB -0.400 41.724 42.059 0.109 0.000 0.903 486 L HN 0.000 nan 8.230 nan 0.000 0.435 487 K N -0.476 119.947 120.400 0.037 0.000 2.020 487 K HA -0.235 4.094 4.320 0.014 0.000 0.212 487 K C 2.001 178.674 176.600 0.121 0.000 1.050 487 K CA 2.103 58.449 56.287 0.098 0.000 0.929 487 K CB -0.169 32.375 32.500 0.072 0.000 0.714 487 K HN 0.424 nan 8.250 nan 0.000 0.443 488 E N 0.245 120.479 120.200 0.057 0.000 2.047 488 E HA -0.164 4.195 4.350 0.014 0.000 0.191 488 E C 1.982 178.646 176.600 0.105 0.000 0.987 488 E CA 1.540 57.991 56.400 0.085 0.000 0.799 488 E CB 0.009 29.720 29.700 0.018 0.000 0.752 488 E HN 0.467 nan 8.360 nan 0.000 0.449 489 I N -2.767 117.782 120.570 -0.036 0.000 4.070 489 I HA 0.147 4.326 4.170 0.014 0.000 0.328 489 I C 1.708 177.562 176.117 -0.438 0.000 1.298 489 I CA 0.191 61.389 61.300 -0.170 0.000 1.173 489 I CB 0.742 38.675 38.000 -0.111 0.000 1.051 489 I HN -0.094 nan 8.210 nan 0.000 0.409 490 S N -1.075 114.417 115.700 -0.347 0.000 2.559 490 S HA 0.142 4.621 4.470 0.014 0.000 0.226 490 S C 0.632 175.041 174.600 -0.319 0.000 1.000 490 S CA -0.314 57.660 58.200 -0.377 0.000 0.948 490 S CB -0.449 62.665 63.200 -0.143 0.000 0.870 490 S HN 0.445 nan 8.310 nan 0.000 0.497 491 Y N 0.209 120.521 120.300 0.020 0.000 4.469 491 Y HA -0.233 4.323 4.550 0.010 0.000 0.220 491 Y C 0.312 176.248 175.900 0.061 0.000 1.078 491 Y CA -0.472 57.647 58.100 0.031 0.000 1.881 491 Y CB -2.973 35.500 38.460 0.022 0.000 1.608 491 Y HN 0.437 nan 8.280 nan 0.000 0.634 492 I N 0.577 121.252 120.570 0.174 0.000 2.638 492 I HA 0.052 4.230 4.170 0.014 0.000 0.286 492 I C 1.462 177.727 176.117 0.247 0.000 1.088 492 I CA -0.328 61.083 61.300 0.184 0.000 1.397 492 I CB 0.611 38.710 38.000 0.166 0.000 1.414 492 I HN 0.259 nan 8.210 nan 0.000 0.566 493 H N 5.646 124.784 119.070 0.113 0.000 3.330 493 H HA 0.359 4.921 4.556 0.011 0.000 0.260 493 H C -0.267 175.183 175.328 0.204 0.000 1.439 493 H CA -0.795 55.338 56.048 0.141 0.000 1.540 493 H CB 0.186 30.033 29.762 0.140 0.000 1.698 493 H HN 0.711 nan 8.280 nan 0.000 0.516 494 A N 4.985 128.013 122.820 0.346 0.000 2.301 494 A HA 0.262 4.591 4.320 0.014 0.000 0.298 494 A C -0.190 177.542 177.584 0.247 0.000 1.185 494 A CA -0.591 51.633 52.037 0.311 0.000 0.830 494 A CB 0.744 19.932 19.000 0.312 0.000 1.112 494 A HN 0.857 nan 8.150 nan 0.000 0.508 495 E N 1.287 121.625 120.200 0.231 0.000 2.234 495 E HA 0.585 4.943 4.350 0.014 0.000 0.266 495 E C -0.535 176.236 176.600 0.284 0.000 0.877 495 E CA -0.645 55.880 56.400 0.209 0.000 0.758 495 E CB 1.924 31.710 29.700 0.142 0.000 1.170 495 E HN 0.852 nan 8.360 nan 0.000 0.415 496 A N 3.386 126.341 122.820 0.224 0.000 2.279 496 A HA 0.630 4.958 4.320 0.014 0.000 0.303 496 A C -1.486 176.328 177.584 0.383 0.000 1.108 496 A CA -0.187 51.987 52.037 0.228 0.000 0.830 496 A CB 0.573 19.544 19.000 -0.050 0.000 1.106 496 A HN 0.638 nan 8.150 nan 0.000 0.493 497 Y N -0.905 119.532 120.300 0.229 0.000 2.474 497 Y HA 0.454 5.014 4.550 0.017 0.000 0.326 497 Y C 0.143 176.291 175.900 0.414 0.000 1.160 497 Y CA -0.078 58.215 58.100 0.322 0.000 1.056 497 Y CB 1.499 40.076 38.460 0.195 0.000 1.330 497 Y HN 1.024 nan 8.280 nan 0.000 0.447 498 A N 2.868 125.833 122.820 0.241 0.000 2.545 498 A HA 0.434 4.762 4.320 0.014 0.000 0.253 498 A C 1.231 178.941 177.584 0.210 0.000 1.074 498 A CA 0.538 52.657 52.037 0.136 0.000 0.760 498 A CB -0.131 18.778 19.000 -0.151 0.000 1.005 498 A HN 1.266 nan 8.150 nan 0.000 0.506 499 A N 3.290 126.227 122.820 0.195 0.000 2.032 499 A HA -0.030 4.298 4.320 0.014 0.000 0.221 499 A C 2.189 179.838 177.584 0.107 0.000 1.165 499 A CA 2.274 54.401 52.037 0.150 0.000 0.645 499 A CB -0.916 18.148 19.000 0.107 0.000 0.807 499 A HN 1.384 nan 8.150 nan 0.000 0.453 500 G N -1.097 107.756 108.800 0.087 0.000 2.443 500 G HA2 -0.101 3.867 3.960 0.014 0.000 0.219 500 G HA3 -0.101 3.867 3.960 0.014 0.000 0.219 500 G C 1.184 176.132 174.900 0.079 0.000 1.131 500 G CA 0.743 45.883 45.100 0.067 0.000 0.775 500 G HN 0.495 nan 8.290 nan 0.000 0.547 501 E N -0.011 120.277 120.200 0.146 0.000 2.465 501 E HA 0.116 4.475 4.350 0.014 0.000 0.191 501 E C 2.058 178.778 176.600 0.200 0.000 1.053 501 E CA -0.421 56.117 56.400 0.230 0.000 0.869 501 E CB 0.284 30.149 29.700 0.275 0.000 0.977 501 E HN 0.264 nan 8.360 nan 0.000 0.483 502 L N 1.378 122.659 121.223 0.097 0.000 2.064 502 L HA -0.214 4.135 4.340 0.014 0.000 0.216 502 L C 1.876 178.697 176.870 -0.082 0.000 1.077 502 L CA 1.906 56.750 54.840 0.006 0.000 0.766 502 L CB -0.206 41.839 42.059 -0.024 0.000 0.890 502 L HN -0.082 nan 8.230 nan 0.000 0.435 503 K N -1.718 118.569 120.400 -0.189 0.000 2.387 503 K HA 0.060 4.389 4.320 0.014 0.000 0.198 503 K C -0.279 176.139 176.600 -0.304 0.000 1.022 503 K CA 0.095 56.229 56.287 -0.255 0.000 1.128 503 K CB 0.065 32.389 32.500 -0.293 0.000 0.853 503 K HN 0.377 nan 8.250 nan 0.000 0.523 504 H N -0.611 118.500 119.070 0.069 0.000 2.410 504 H HA 0.331 4.895 4.556 0.014 0.000 0.232 504 H C 0.618 176.001 175.328 0.091 0.000 1.535 504 H CA 0.265 56.361 56.048 0.079 0.000 1.310 504 H CB 0.859 30.678 29.762 0.095 0.000 1.518 504 H HN 0.392 nan 8.280 nan 0.000 0.545 505 G N 2.169 111.017 108.800 0.081 0.000 1.801 505 G HA2 -0.217 3.752 3.960 0.014 0.000 0.203 505 G HA3 -0.217 3.752 3.960 0.014 0.000 0.203 505 G C -1.472 173.371 174.900 -0.094 0.000 2.274 505 G CA -0.342 44.766 45.100 0.014 0.000 1.481 505 G HN 0.306 nan 8.290 nan 0.000 0.471 506 P HA 0.009 nan 4.420 nan 0.000 0.216 506 P C 2.149 179.345 177.300 -0.173 0.000 1.150 506 P CA 1.382 64.317 63.100 -0.276 0.000 0.843 506 P CB -0.062 31.341 31.700 -0.495 0.000 0.787 507 L N 0.088 121.230 121.223 -0.135 0.000 2.013 507 L HA -0.187 4.162 4.340 0.014 0.000 0.212 507 L C 2.216 179.032 176.870 -0.091 0.000 1.073 507 L CA 2.219 56.997 54.840 -0.104 0.000 0.753 507 L CB -1.553 40.453 42.059 -0.089 0.000 0.890 507 L HN -0.084 nan 8.230 nan 0.000 0.432 508 A N -0.902 121.870 122.820 -0.079 0.000 2.084 508 A HA -0.186 4.142 4.320 0.014 0.000 0.221 508 A C 2.232 179.768 177.584 -0.081 0.000 1.161 508 A CA 1.835 53.832 52.037 -0.067 0.000 0.653 508 A CB -0.881 18.090 19.000 -0.048 0.000 0.802 508 A HN 0.543 nan 8.150 nan 0.000 0.457 509 L N -0.226 120.932 121.223 -0.109 0.000 2.291 509 L HA -0.010 4.339 4.340 0.014 0.000 0.214 509 L C 0.104 176.889 176.870 -0.142 0.000 1.120 509 L CA 0.000 54.755 54.840 -0.142 0.000 0.799 509 L CB -0.430 41.517 42.059 -0.187 0.000 0.925 509 L HN 0.241 nan 8.230 nan 0.000 0.446 510 I N 1.592 122.095 120.570 -0.112 0.000 2.533 510 I HA 0.046 4.224 4.170 0.014 0.000 0.284 510 I C 0.168 176.244 176.117 -0.068 0.000 1.109 510 I CA 0.331 61.577 61.300 -0.090 0.000 1.412 510 I CB 0.134 38.086 38.000 -0.079 0.000 1.396 510 I HN 0.183 nan 8.210 nan 0.000 0.543 511 D N 4.643 125.012 120.400 -0.052 0.000 3.158 511 D HA 0.380 5.028 4.640 0.014 0.000 0.314 511 D C 0.607 176.895 176.300 -0.019 0.000 1.308 511 D CA -0.312 53.669 54.000 -0.032 0.000 1.001 511 D CB 0.160 40.948 40.800 -0.020 0.000 1.389 511 D HN 0.249 nan 8.370 nan 0.000 0.595 512 A N -0.850 121.965 122.820 -0.008 0.000 2.125 512 A HA -0.062 4.267 4.320 0.014 0.000 0.219 512 A C 1.271 178.856 177.584 0.001 0.000 1.156 512 A CA 1.889 53.921 52.037 -0.008 0.000 0.671 512 A CB -0.893 18.104 19.000 -0.004 0.000 0.794 512 A HN 0.523 nan 8.150 nan 0.000 0.459 513 D N -1.816 118.608 120.400 0.041 0.000 2.369 513 D HA 0.251 4.899 4.640 0.014 0.000 0.211 513 D C 0.154 176.535 176.300 0.134 0.000 1.077 513 D CA 0.173 54.232 54.000 0.099 0.000 0.842 513 D CB 0.130 41.061 40.800 0.218 0.000 0.947 513 D HN 0.262 nan 8.370 nan 0.000 0.509 514 M N 1.702 121.336 119.600 0.056 0.000 1.980 514 M HA 0.307 4.796 4.480 0.014 0.000 0.282 514 M C -2.605 173.691 176.300 -0.008 0.000 0.878 514 M CA -1.930 53.400 55.300 0.050 0.000 0.900 514 M CB 2.077 34.668 32.600 -0.016 0.000 1.577 514 M HN -0.253 nan 8.290 nan 0.000 0.396 515 P HA 0.100 nan 4.420 nan 0.000 0.269 515 P C -0.690 176.633 177.300 0.038 0.000 1.209 515 P CA -0.224 62.857 63.100 -0.033 0.000 0.776 515 P CB 0.786 32.297 31.700 -0.316 0.000 0.876 516 V N 4.845 124.797 119.914 0.064 0.000 2.350 516 V HA 0.268 4.397 4.120 0.014 0.000 0.276 516 V C 0.729 176.892 176.094 0.115 0.000 1.028 516 V CA -0.469 61.861 62.300 0.049 0.000 0.860 516 V CB 0.537 32.361 31.823 0.002 0.000 0.990 516 V HN 0.384 nan 8.190 nan 0.000 0.453 517 I N 5.541 126.128 120.570 0.029 0.000 2.365 517 I HA 0.380 4.559 4.170 0.014 0.000 0.291 517 I C -0.070 176.108 176.117 0.103 0.000 1.004 517 I CA -0.376 60.965 61.300 0.069 0.000 1.311 517 I CB 1.630 39.517 38.000 -0.187 0.000 1.401 517 I HN 0.400 nan 8.210 nan 0.000 0.491 518 V N 5.784 125.799 119.914 0.169 0.000 2.630 518 V HA 0.462 4.590 4.120 0.014 0.000 0.305 518 V C -0.114 176.137 176.094 0.262 0.000 1.046 518 V CA -0.851 61.551 62.300 0.171 0.000 0.934 518 V CB 1.728 33.614 31.823 0.105 0.000 1.003 518 V HN 0.371 nan 8.190 nan 0.000 0.451 519 V N 3.292 123.312 119.914 0.177 0.000 2.313 519 V HA 0.658 4.787 4.120 0.014 0.000 0.278 519 V C 0.726 176.804 176.094 -0.026 0.000 1.017 519 V CA 0.202 62.571 62.300 0.115 0.000 0.823 519 V CB 0.362 32.210 31.823 0.041 0.000 1.010 519 V HN 1.633 nan 8.190 nan 0.000 0.443 520 A N 5.701 128.494 122.820 -0.045 0.000 2.800 520 A HA -0.087 4.241 4.320 0.014 0.000 0.292 520 A C -1.281 176.306 177.584 0.005 0.000 1.474 520 A CA 0.267 52.206 52.037 -0.162 0.000 0.744 520 A CB -1.748 16.895 19.000 -0.596 0.000 1.044 520 A HN 0.641 nan 8.150 nan 0.000 0.489 521 P HA 0.319 nan 4.420 nan 0.000 0.274 521 P C 0.197 177.622 177.300 0.209 0.000 1.237 521 P CA 0.059 63.216 63.100 0.096 0.000 0.793 521 P CB 0.477 32.197 31.700 0.034 0.000 0.977 522 N N 0.139 118.937 118.700 0.163 0.000 2.413 522 N HA 0.029 4.778 4.740 0.014 0.000 0.266 522 N C 0.985 176.644 175.510 0.247 0.000 1.238 522 N CA -0.584 52.602 53.050 0.226 0.000 0.972 522 N CB -0.086 38.479 38.487 0.129 0.000 1.210 522 N HN 0.311 nan 8.380 nan 0.000 0.547 523 N N -1.050 117.824 118.700 0.290 0.000 2.309 523 N HA -0.245 4.503 4.740 0.014 0.000 0.182 523 N C 1.279 176.833 175.510 0.072 0.000 1.018 523 N CA 1.162 54.371 53.050 0.266 0.000 0.876 523 N CB -0.055 38.615 38.487 0.306 0.000 0.972 523 N HN 0.720 nan 8.380 nan 0.000 0.434 524 E N 0.138 120.376 120.200 0.065 0.000 2.060 524 E HA -0.143 4.215 4.350 0.014 0.000 0.189 524 E C 1.855 178.456 176.600 0.003 0.000 0.974 524 E CA 0.490 56.908 56.400 0.030 0.000 0.808 524 E CB -0.448 29.275 29.700 0.038 0.000 0.768 524 E HN 0.330 nan 8.360 nan 0.000 0.453 525 L N 1.523 122.751 121.223 0.009 0.000 1.944 525 L HA -0.205 4.143 4.340 0.014 0.000 0.218 525 L C 2.664 179.496 176.870 -0.063 0.000 1.075 525 L CA 1.763 56.596 54.840 -0.012 0.000 0.767 525 L CB -1.421 40.642 42.059 0.007 0.000 0.890 525 L HN 0.314 nan 8.230 nan 0.000 0.434 526 L N 0.101 121.249 121.223 -0.125 0.000 2.010 526 L HA -0.297 4.052 4.340 0.014 0.000 0.219 526 L C 2.542 179.303 176.870 -0.181 0.000 1.077 526 L CA 2.004 56.699 54.840 -0.242 0.000 0.773 526 L CB -1.117 40.605 42.059 -0.563 0.000 0.892 526 L HN 0.486 nan 8.230 nan 0.000 0.436 527 E N -0.652 119.467 120.200 -0.134 0.000 2.147 527 E HA -0.302 4.057 4.350 0.014 0.000 0.199 527 E C 2.122 178.678 176.600 -0.073 0.000 1.005 527 E CA 1.927 58.273 56.400 -0.090 0.000 0.810 527 E CB -0.094 29.577 29.700 -0.048 0.000 0.736 527 E HN 0.599 nan 8.360 nan 0.000 0.460 528 K N 0.229 120.593 120.400 -0.060 0.000 2.031 528 K HA -0.055 4.274 4.320 0.014 0.000 0.205 528 K C 2.334 178.895 176.600 -0.065 0.000 1.049 528 K CA 0.751 57.007 56.287 -0.051 0.000 0.939 528 K CB -0.134 32.347 32.500 -0.033 0.000 0.717 528 K HN 0.087 nan 8.250 nan 0.000 0.438 529 L N 1.283 122.462 121.223 -0.074 0.000 2.083 529 L HA -0.193 4.156 4.340 0.014 0.000 0.209 529 L C 2.494 179.303 176.870 -0.102 0.000 1.083 529 L CA 0.897 55.690 54.840 -0.079 0.000 0.752 529 L CB -0.438 41.574 42.059 -0.078 0.000 0.899 529 L HN 0.083 nan 8.230 nan 0.000 0.433 530 K N 0.261 120.588 120.400 -0.121 0.000 2.032 530 K HA -0.179 4.150 4.320 0.014 0.000 0.209 530 K C 2.356 178.893 176.600 -0.105 0.000 1.048 530 K CA 2.018 58.226 56.287 -0.131 0.000 0.927 530 K CB -0.703 31.715 32.500 -0.137 0.000 0.712 530 K HN 0.076 nan 8.250 nan 0.000 0.441 531 S N 0.373 116.021 115.700 -0.085 0.000 2.356 531 S HA -0.115 4.364 4.470 0.014 0.000 0.223 531 S C 1.696 176.254 174.600 -0.069 0.000 1.032 531 S CA 1.348 59.507 58.200 -0.069 0.000 1.005 531 S CB -0.412 62.754 63.200 -0.057 0.000 0.867 531 S HN 0.402 nan 8.310 nan 0.000 0.449 532 N N 1.263 119.920 118.700 -0.071 0.000 2.018 532 N HA -0.115 4.634 4.740 0.014 0.000 0.196 532 N C 1.647 177.111 175.510 -0.077 0.000 1.043 532 N CA 1.527 54.534 53.050 -0.072 0.000 0.856 532 N CB -0.730 37.715 38.487 -0.070 0.000 1.042 532 N HN 0.398 nan 8.380 nan 0.000 0.423 533 I N 1.845 122.361 120.570 -0.090 0.000 2.614 533 I HA -0.134 4.044 4.170 0.014 0.000 0.258 533 I C 1.924 177.984 176.117 -0.096 0.000 1.189 533 I CA 1.053 62.293 61.300 -0.100 0.000 1.462 533 I CB -0.085 37.839 38.000 -0.127 0.000 1.092 533 I HN 0.053 nan 8.210 nan 0.000 0.442 534 E N 0.326 120.471 120.200 -0.090 0.000 2.208 534 E HA -0.189 4.169 4.350 0.014 0.000 0.193 534 E C 1.793 178.354 176.600 -0.065 0.000 0.988 534 E CA 0.663 57.015 56.400 -0.080 0.000 0.828 534 E CB -0.071 29.585 29.700 -0.074 0.000 0.763 534 E HN 0.595 nan 8.360 nan 0.000 0.478 535 E N 0.315 120.478 120.200 -0.062 0.000 2.515 535 E HA -0.084 4.274 4.350 0.014 0.000 0.201 535 E C 1.304 177.873 176.600 -0.052 0.000 1.071 535 E CA 0.508 56.877 56.400 -0.052 0.000 0.880 535 E CB 0.314 29.983 29.700 -0.052 0.000 0.828 535 E HN 0.081 nan 8.360 nan 0.000 0.540 536 V N -2.373 117.506 119.914 -0.059 0.000 3.329 536 V HA 0.185 4.314 4.120 0.014 0.000 0.317 536 V C 1.560 177.620 176.094 -0.056 0.000 1.495 536 V CA -0.284 61.982 62.300 -0.055 0.000 1.105 536 V CB 0.367 32.155 31.823 -0.059 0.000 0.985 536 V HN 0.067 nan 8.190 nan 0.000 0.475 537 R N 1.916 122.381 120.500 -0.060 0.000 2.133 537 R HA -0.152 4.197 4.340 0.014 0.000 0.247 537 R C 1.911 178.185 176.300 -0.042 0.000 1.151 537 R CA 2.365 58.431 56.100 -0.057 0.000 0.971 537 R CB -0.531 29.733 30.300 -0.059 0.000 0.866 537 R HN 0.634 nan 8.270 nan 0.000 0.447 538 A N 1.379 124.176 122.820 -0.037 0.000 1.972 538 A HA -0.098 4.231 4.320 0.014 0.000 0.219 538 A C 1.939 179.507 177.584 -0.026 0.000 1.169 538 A CA 1.294 53.313 52.037 -0.029 0.000 0.635 538 A CB -0.324 18.660 19.000 -0.026 0.000 0.810 538 A HN 0.425 nan 8.150 nan 0.000 0.446 539 R N -0.931 119.552 120.500 -0.029 0.000 2.320 539 R HA 0.215 4.563 4.340 0.014 0.000 0.211 539 R C 0.883 177.168 176.300 -0.024 0.000 0.931 539 R CA 0.397 56.482 56.100 -0.025 0.000 1.071 539 R CB -0.235 30.048 30.300 -0.029 0.000 1.025 539 R HN 0.609 nan 8.270 nan 0.000 0.495 540 G N 1.285 110.068 108.800 -0.028 0.000 2.333 540 G HA2 -0.240 3.729 3.960 0.014 0.000 0.296 540 G HA3 -0.240 3.729 3.960 0.014 0.000 0.296 540 G C 0.177 175.058 174.900 -0.033 0.000 1.059 540 G CA 0.099 45.183 45.100 -0.027 0.000 1.050 540 G HN 0.486 nan 8.290 nan 0.000 0.508 541 G N -0.947 107.824 108.800 -0.048 0.000 2.412 541 G HA2 0.667 4.636 3.960 0.014 0.000 0.318 541 G HA3 0.667 4.636 3.960 0.014 0.000 0.318 541 G C -0.365 174.484 174.900 -0.085 0.000 1.146 541 G CA -0.461 44.604 45.100 -0.058 0.000 0.882 541 G HN 0.369 nan 8.290 nan 0.000 0.501 542 Q N 0.346 120.086 119.800 -0.101 0.000 2.372 542 Q HA 0.361 4.709 4.340 0.014 0.000 0.273 542 Q C -1.115 174.728 176.000 -0.263 0.000 1.078 542 Q CA -0.686 54.995 55.803 -0.203 0.000 0.806 542 Q CB 3.017 31.639 28.738 -0.192 0.000 1.332 542 Q HN 0.455 nan 8.270 nan 0.000 0.435 543 L N 3.232 124.232 121.223 -0.373 0.000 2.265 543 L HA 0.431 4.780 4.340 0.014 0.000 0.289 543 L C -1.328 175.284 176.870 -0.430 0.000 1.033 543 L CA -0.736 53.934 54.840 -0.284 0.000 0.814 543 L CB 0.504 42.421 42.059 -0.237 0.000 1.203 543 L HN 0.598 nan 8.230 nan 0.000 0.423 544 Y N 3.993 124.303 120.300 0.017 0.000 2.353 544 Y HA 0.370 4.927 4.550 0.012 0.000 0.340 544 Y C 0.125 175.966 175.900 -0.098 0.000 0.972 544 Y CA -0.729 57.366 58.100 -0.009 0.000 1.157 544 Y CB 1.541 40.032 38.460 0.051 0.000 1.157 544 Y HN 0.163 nan 8.280 nan 0.000 0.495 545 V N 5.096 124.990 119.914 -0.033 0.000 2.370 545 V HA 0.301 4.430 4.120 0.014 0.000 0.283 545 V C -0.576 175.487 176.094 -0.051 0.000 1.023 545 V CA -1.012 61.287 62.300 -0.001 0.000 0.857 545 V CB 0.522 32.342 31.823 -0.005 0.000 0.985 545 V HN 0.481 nan 8.190 nan 0.000 0.443 546 F N 3.863 123.933 119.950 0.200 0.000 2.390 546 F HA 0.729 5.264 4.527 0.013 0.000 0.361 546 F C 0.614 176.611 175.800 0.328 0.000 1.124 546 F CA -0.057 58.112 58.000 0.282 0.000 1.149 546 F CB 1.177 40.386 39.000 0.349 0.000 1.160 546 F HN 0.596 nan 8.300 nan 0.000 0.501 547 A N 2.200 125.319 122.820 0.498 0.000 2.532 547 A HA 0.489 4.818 4.320 0.014 0.000 0.290 547 A C -1.094 176.716 177.584 0.378 0.000 1.143 547 A CA -0.868 51.432 52.037 0.440 0.000 0.728 547 A CB 1.040 20.362 19.000 0.536 0.000 1.317 547 A HN 0.472 nan 8.150 nan 0.000 0.414 548 D N 0.809 121.369 120.400 0.268 0.000 2.450 548 D HA 0.054 4.703 4.640 0.014 0.000 0.247 548 D C 1.569 177.919 176.300 0.084 0.000 1.162 548 D CA 0.368 54.491 54.000 0.205 0.000 0.879 548 D CB 1.092 41.971 40.800 0.131 0.000 1.163 548 D HN 0.577 nan 8.370 nan 0.000 0.472 549 Q N 2.331 122.201 119.800 0.117 0.000 2.181 549 Q HA -0.211 4.138 4.340 0.014 0.000 0.205 549 Q C 0.644 176.642 176.000 -0.003 0.000 0.980 549 Q CA 1.250 57.088 55.803 0.059 0.000 0.862 549 Q CB -0.055 28.730 28.738 0.078 0.000 0.905 549 Q HN 0.334 nan 8.270 nan 0.000 0.429 550 D N 0.935 121.346 120.400 0.020 0.000 2.384 550 D HA -0.031 4.618 4.640 0.014 0.000 0.222 550 D C 1.239 177.469 176.300 -0.117 0.000 0.976 550 D CA 1.123 55.106 54.000 -0.028 0.000 0.915 550 D CB 0.074 40.887 40.800 0.022 0.000 0.896 550 D HN 0.510 nan 8.370 nan 0.000 0.523 551 A N -0.726 121.945 122.820 -0.249 0.000 2.220 551 A HA 0.457 4.786 4.320 0.014 0.000 0.211 551 A C 1.796 179.078 177.584 -0.503 0.000 1.176 551 A CA 0.636 52.372 52.037 -0.503 0.000 0.834 551 A CB -0.097 18.291 19.000 -1.020 0.000 0.868 551 A HN 0.171 nan 8.150 nan 0.000 0.488 552 G N -0.513 108.111 108.800 -0.295 0.000 2.249 552 G HA2 -0.261 3.708 3.960 0.014 0.000 0.273 552 G HA3 -0.261 3.708 3.960 0.014 0.000 0.273 552 G C -0.107 174.800 174.900 0.012 0.000 1.036 552 G CA 0.270 45.304 45.100 -0.109 0.000 0.824 552 G HN 0.260 nan 8.290 nan 0.000 0.504 553 F N -0.619 119.354 119.950 0.037 0.000 2.496 553 F HA 0.477 5.013 4.527 0.015 0.000 0.344 553 F C 1.037 176.846 175.800 0.015 0.000 1.155 553 F CA -0.857 57.156 58.000 0.022 0.000 1.302 553 F CB 0.884 39.898 39.000 0.024 0.000 1.159 553 F HN 0.230 nan 8.300 nan 0.000 0.595 554 V N -0.723 119.313 119.914 0.203 0.000 2.604 554 V HA 0.494 4.623 4.120 0.014 0.000 0.305 554 V C -0.143 175.978 176.094 0.044 0.000 1.043 554 V CA -1.264 61.096 62.300 0.099 0.000 0.888 554 V CB 1.145 33.005 31.823 0.062 0.000 0.995 554 V HN 0.658 nan 8.190 nan 0.000 0.429 555 S N 3.388 119.106 115.700 0.030 0.000 2.515 555 S HA 0.287 4.765 4.470 0.014 0.000 0.285 555 S C 0.643 175.214 174.600 -0.048 0.000 1.265 555 S CA 0.223 58.410 58.200 -0.021 0.000 1.079 555 S CB 0.386 63.607 63.200 0.036 0.000 0.877 555 S HN 1.266 nan 8.310 nan 0.000 0.493 556 S N 2.166 117.797 115.700 -0.114 0.000 2.713 556 S HA 0.273 4.752 4.470 0.014 0.000 0.283 556 S C 1.194 175.703 174.600 -0.153 0.000 1.161 556 S CA -0.425 57.712 58.200 -0.106 0.000 0.999 556 S CB 0.807 63.935 63.200 -0.120 0.000 1.039 556 S HN 0.704 nan 8.310 nan 0.000 0.548 557 D N 2.049 122.388 120.400 -0.102 0.000 2.154 557 D HA -0.282 4.367 4.640 0.014 0.000 0.190 557 D C 1.074 177.255 176.300 -0.198 0.000 1.003 557 D CA 2.243 56.197 54.000 -0.076 0.000 0.849 557 D CB -0.962 39.813 40.800 -0.042 0.000 0.942 557 D HN 0.735 nan 8.370 nan 0.000 0.446 558 N N -0.266 118.270 118.700 -0.273 0.000 2.230 558 N HA 0.005 4.753 4.740 0.014 0.000 0.202 558 N C 0.194 175.306 175.510 -0.665 0.000 1.119 558 N CA -0.289 52.514 53.050 -0.412 0.000 0.851 558 N CB -0.102 38.260 38.487 -0.208 0.000 0.990 558 N HN 0.357 nan 8.380 nan 0.000 0.497 559 M N 1.222 120.416 119.600 -0.676 0.000 2.294 559 M HA 0.255 4.743 4.480 0.014 0.000 0.335 559 M C -1.550 174.309 176.300 -0.736 0.000 1.079 559 M CA -0.515 54.415 55.300 -0.617 0.000 0.982 559 M CB 1.206 33.602 32.600 -0.341 0.000 1.651 559 M HN 0.004 nan 8.290 nan 0.000 0.437 560 H N 6.215 125.128 119.070 -0.261 0.000 2.762 560 H HA 0.342 4.907 4.556 0.014 0.000 0.310 560 H C -0.760 174.514 175.328 -0.090 0.000 1.004 560 H CA -0.688 55.260 56.048 -0.167 0.000 1.267 560 H CB 0.907 30.546 29.762 -0.205 0.000 1.437 560 H HN 0.564 nan 8.280 nan 0.000 0.498 561 I N 4.800 125.400 120.570 0.050 0.000 2.452 561 I HA 0.035 4.214 4.170 0.014 0.000 0.287 561 I C 0.626 176.775 176.117 0.053 0.000 1.079 561 I CA -0.567 60.773 61.300 0.067 0.000 1.387 561 I CB -0.364 37.715 38.000 0.132 0.000 1.404 561 I HN 0.361 nan 8.210 nan 0.000 0.522 562 I N 6.840 127.388 120.570 -0.036 0.000 2.304 562 I HA 0.187 4.366 4.170 0.014 0.000 0.291 562 I C 0.712 176.875 176.117 0.077 0.000 1.018 562 I CA -0.158 61.107 61.300 -0.058 0.000 1.260 562 I CB 0.364 38.177 38.000 -0.311 0.000 1.390 562 I HN 0.449 nan 8.210 nan 0.000 0.475 563 E N 6.982 127.251 120.200 0.114 0.000 2.249 563 E HA 0.504 4.862 4.350 0.014 0.000 0.280 563 E C -0.590 176.115 176.600 0.175 0.000 1.016 563 E CA -0.632 55.863 56.400 0.158 0.000 0.830 563 E CB 1.459 31.229 29.700 0.117 0.000 1.081 563 E HN 0.388 nan 8.360 nan 0.000 0.395 564 M N 2.018 121.753 119.600 0.224 0.000 2.724 564 M HA 0.437 4.926 4.480 0.014 0.000 0.310 564 M C -2.482 173.970 176.300 0.253 0.000 1.217 564 M CA -2.762 52.657 55.300 0.198 0.000 0.894 564 M CB 0.984 33.660 32.600 0.127 0.000 1.719 564 M HN 0.150 nan 8.290 nan 0.000 0.479 565 P HA 0.074 nan 4.420 nan 0.000 0.270 565 P C -0.605 176.838 177.300 0.238 0.000 1.223 565 P CA 0.051 63.305 63.100 0.257 0.000 0.785 565 P CB 0.115 31.971 31.700 0.259 0.000 0.923 566 H N 0.656 119.759 119.070 0.055 0.000 2.871 566 H HA 0.323 4.888 4.556 0.014 0.000 0.355 566 H C -0.021 175.207 175.328 -0.167 0.000 1.092 566 H CA 0.490 56.536 56.048 -0.004 0.000 1.420 566 H CB 0.175 29.926 29.762 -0.018 0.000 1.400 566 H HN 0.207 nan 8.280 nan 0.000 0.604 567 V N 0.855 120.326 119.914 -0.738 0.000 3.206 567 V HA 0.433 4.562 4.120 0.014 0.000 0.305 567 V C -0.657 175.076 176.094 -0.601 0.000 1.257 567 V CA -1.313 60.586 62.300 -0.670 0.000 1.057 567 V CB 1.991 33.311 31.823 -0.838 0.000 1.075 567 V HN 0.751 nan 8.190 nan 0.000 0.443 568 E N 0.867 120.878 120.200 -0.315 0.000 2.257 568 E HA 0.285 4.644 4.350 0.014 0.000 0.278 568 E C 0.700 177.241 176.600 -0.097 0.000 1.049 568 E CA 0.004 56.312 56.400 -0.154 0.000 0.876 568 E CB 1.471 31.127 29.700 -0.073 0.000 1.035 568 E HN 0.866 nan 8.360 nan 0.000 0.419 569 E N 2.847 123.018 120.200 -0.048 0.000 2.114 569 E HA -0.239 4.120 4.350 0.014 0.000 0.199 569 E C 1.477 178.120 176.600 0.071 0.000 1.008 569 E CA 1.352 57.763 56.400 0.018 0.000 0.810 569 E CB -0.172 29.553 29.700 0.042 0.000 0.739 569 E HN 0.453 nan 8.360 nan 0.000 0.456 570 V N 0.891 120.822 119.914 0.028 0.000 2.278 570 V HA -0.288 3.841 4.120 0.014 0.000 0.251 570 V C 2.282 178.407 176.094 0.051 0.000 1.062 570 V CA 2.244 64.536 62.300 -0.013 0.000 1.038 570 V CB -0.635 31.109 31.823 -0.133 0.000 0.646 570 V HN 0.592 nan 8.190 nan 0.000 0.447 571 I N -2.371 118.226 120.570 0.044 0.000 3.883 571 I HA 0.357 4.535 4.170 0.014 0.000 0.326 571 I C 2.051 178.300 176.117 0.220 0.000 1.283 571 I CA 0.736 62.110 61.300 0.124 0.000 1.161 571 I CB -0.368 37.645 38.000 0.021 0.000 1.012 571 I HN 0.080 nan 8.210 nan 0.000 0.421 572 A N 2.818 125.768 122.820 0.218 0.000 1.859 572 A HA -0.093 4.236 4.320 0.014 0.000 0.217 572 A C 0.298 178.133 177.584 0.419 0.000 1.198 572 A CA 2.039 54.271 52.037 0.324 0.000 0.629 572 A CB -2.055 17.084 19.000 0.231 0.000 0.830 572 A HN 0.362 nan 8.150 nan 0.000 0.446 573 P HA -0.216 nan 4.420 nan 0.000 0.219 573 P C 1.283 178.738 177.300 0.257 0.000 1.153 573 P CA 1.590 64.810 63.100 0.201 0.000 0.865 573 P CB -0.178 31.560 31.700 0.064 0.000 0.788 574 I N -3.405 117.343 120.570 0.298 0.000 2.333 574 I HA -0.188 3.990 4.170 0.014 0.000 0.246 574 I C 2.201 178.473 176.117 0.258 0.000 1.106 574 I CA 0.900 62.352 61.300 0.253 0.000 1.411 574 I CB -0.727 37.406 38.000 0.222 0.000 1.082 574 I HN -0.107 nan 8.210 nan 0.000 0.420 575 F N 2.246 122.249 119.950 0.090 0.000 2.011 575 F HA -0.294 4.242 4.527 0.016 0.000 0.296 575 F C 2.339 178.077 175.800 -0.104 0.000 1.144 575 F CA 1.596 59.581 58.000 -0.025 0.000 1.185 575 F CB -1.124 37.854 39.000 -0.037 0.000 0.961 575 F HN -0.041 nan 8.300 nan 0.000 0.485 576 Y N 0.336 120.637 120.300 0.002 0.000 2.617 576 Y HA -0.233 4.325 4.550 0.014 0.000 0.284 576 Y C 2.467 178.248 175.900 -0.198 0.000 1.162 576 Y CA 1.597 59.595 58.100 -0.170 0.000 1.399 576 Y CB -1.206 37.231 38.460 -0.039 0.000 0.962 576 Y HN 0.106 nan 8.280 nan 0.000 0.576 577 T N -1.393 113.154 114.554 -0.011 0.000 2.985 577 T HA -0.089 4.269 4.350 0.014 0.000 0.266 577 T C 2.028 176.629 174.700 -0.166 0.000 1.076 577 T CA 1.128 63.195 62.100 -0.055 0.000 1.135 577 T CB -0.267 68.652 68.868 0.085 0.000 0.890 577 T HN 0.144 nan 8.240 nan 0.000 0.480 578 V N 2.367 122.153 119.914 -0.213 0.000 2.407 578 V HA -0.045 4.084 4.120 0.014 0.000 0.245 578 V C -0.536 175.401 176.094 -0.261 0.000 1.041 578 V CA 1.173 63.333 62.300 -0.234 0.000 1.040 578 V CB -1.505 30.173 31.823 -0.242 0.000 0.671 578 V HN 0.342 nan 8.190 nan 0.000 0.455 579 P HA -0.123 nan 4.420 nan 0.000 0.216 579 P C 1.919 179.064 177.300 -0.259 0.000 1.153 579 P CA 1.467 64.391 63.100 -0.293 0.000 0.848 579 P CB -0.088 31.354 31.700 -0.429 0.000 0.787 580 L N -0.764 120.271 121.223 -0.313 0.000 2.083 580 L HA -0.170 4.179 4.340 0.014 0.000 0.209 580 L C 2.713 179.492 176.870 -0.151 0.000 1.083 580 L CA 1.515 56.238 54.840 -0.195 0.000 0.752 580 L CB -1.254 40.703 42.059 -0.170 0.000 0.899 580 L HN 0.045 nan 8.230 nan 0.000 0.433 581 Q N 0.170 119.863 119.800 -0.179 0.000 2.084 581 Q HA -0.163 4.186 4.340 0.014 0.000 0.202 581 Q C 2.389 178.332 176.000 -0.096 0.000 0.978 581 Q CA 1.233 56.941 55.803 -0.159 0.000 0.844 581 Q CB -0.131 28.492 28.738 -0.191 0.000 0.898 581 Q HN 0.511 nan 8.270 nan 0.000 0.426 582 L N 0.153 121.325 121.223 -0.086 0.000 2.044 582 L HA -0.165 4.184 4.340 0.014 0.000 0.205 582 L C 2.361 179.299 176.870 0.113 0.000 1.075 582 L CA 0.327 55.178 54.840 0.017 0.000 0.747 582 L CB -0.425 41.666 42.059 0.053 0.000 0.903 582 L HN 0.257 nan 8.230 nan 0.000 0.435 583 L N 0.603 121.855 121.223 0.048 0.000 1.951 583 L HA -0.283 4.065 4.340 0.014 0.000 0.222 583 L C 2.661 179.518 176.870 -0.021 0.000 1.078 583 L CA 2.412 57.255 54.840 0.005 0.000 0.778 583 L CB -0.953 41.051 42.059 -0.092 0.000 0.893 583 L HN 0.190 nan 8.230 nan 0.000 0.436 584 A N -1.583 121.213 122.820 -0.040 0.000 1.892 584 A HA -0.339 3.990 4.320 0.014 0.000 0.218 584 A C 2.335 179.885 177.584 -0.056 0.000 1.188 584 A CA 2.238 54.247 52.037 -0.048 0.000 0.631 584 A CB -1.478 17.485 19.000 -0.061 0.000 0.822 584 A HN 0.752 nan 8.150 nan 0.000 0.447 585 Y N 0.295 120.495 120.300 -0.167 0.000 2.128 585 Y HA -0.286 4.274 4.550 0.017 0.000 0.284 585 Y C 2.530 178.295 175.900 -0.225 0.000 1.154 585 Y CA 2.293 60.254 58.100 -0.232 0.000 1.149 585 Y CB -0.596 37.691 38.460 -0.289 0.000 0.976 585 Y HN 0.508 nan 8.280 nan 0.000 0.505 586 H N -0.985 117.941 119.070 -0.239 0.000 2.387 586 H HA -0.135 4.429 4.556 0.013 0.000 0.299 586 H C 2.532 177.726 175.328 -0.222 0.000 1.090 586 H CA 1.773 57.664 56.048 -0.263 0.000 1.332 586 H CB -0.639 29.069 29.762 -0.090 0.000 1.386 586 H HN 0.334 nan 8.280 nan 0.000 0.516 587 V N 1.325 121.205 119.914 -0.056 0.000 2.255 587 V HA -0.297 3.832 4.120 0.014 0.000 0.247 587 V C 2.892 178.895 176.094 -0.151 0.000 1.051 587 V CA 1.788 64.045 62.300 -0.072 0.000 1.018 587 V CB -1.185 30.611 31.823 -0.045 0.000 0.641 587 V HN 0.480 nan 8.190 nan 0.000 0.445 588 A N -0.398 122.285 122.820 -0.228 0.000 1.958 588 A HA -0.264 4.064 4.320 0.014 0.000 0.221 588 A C 2.192 179.601 177.584 -0.291 0.000 1.178 588 A CA 2.433 54.296 52.037 -0.290 0.000 0.642 588 A CB -0.622 18.186 19.000 -0.320 0.000 0.816 588 A HN 0.481 nan 8.150 nan 0.000 0.453 589 L N -0.504 120.497 121.223 -0.370 0.000 2.072 589 L HA -0.027 4.322 4.340 0.014 0.000 0.205 589 L C 2.254 179.048 176.870 -0.127 0.000 1.079 589 L CA 1.585 56.250 54.840 -0.291 0.000 0.752 589 L CB -0.284 41.550 42.059 -0.374 0.000 0.906 589 L HN 0.433 nan 8.230 nan 0.000 0.436 590 I N -0.530 119.981 120.570 -0.098 0.000 2.252 590 I HA -0.276 3.903 4.170 0.014 0.000 0.245 590 I C 2.024 178.109 176.117 -0.053 0.000 1.102 590 I CA 1.274 62.543 61.300 -0.052 0.000 1.385 590 I CB -0.268 37.710 38.000 -0.037 0.000 1.064 590 I HN 0.214 nan 8.210 nan 0.000 0.414 591 K N 0.955 121.310 120.400 -0.076 0.000 2.504 591 K HA 0.072 4.400 4.320 0.014 0.000 0.195 591 K C 1.107 177.674 176.600 -0.055 0.000 1.036 591 K CA 0.683 56.932 56.287 -0.063 0.000 0.984 591 K CB -0.141 32.310 32.500 -0.083 0.000 0.788 591 K HN 0.465 nan 8.250 nan 0.000 0.488 592 G N 3.053 111.814 108.800 -0.065 0.000 2.323 592 G HA2 -0.295 3.674 3.960 0.014 0.000 0.292 592 G HA3 -0.295 3.674 3.960 0.014 0.000 0.292 592 G C 0.172 175.054 174.900 -0.030 0.000 1.040 592 G CA 0.739 45.819 45.100 -0.033 0.000 0.942 592 G HN 0.449 nan 8.290 nan 0.000 0.506 593 T N -2.821 111.675 114.554 -0.097 0.000 2.934 593 T HA 0.525 4.884 4.350 0.014 0.000 0.283 593 T C 0.166 174.826 174.700 -0.067 0.000 1.005 593 T CA -0.176 61.865 62.100 -0.097 0.000 1.041 593 T CB 2.101 70.764 68.868 -0.342 0.000 1.042 593 T HN 0.075 nan 8.240 nan 0.000 0.505 594 D N 1.781 122.204 120.400 0.039 0.000 2.540 594 D HA 0.054 4.703 4.640 0.014 0.000 0.237 594 D C 1.470 177.785 176.300 0.024 0.000 1.181 594 D CA -0.284 53.760 54.000 0.074 0.000 1.119 594 D CB -0.533 40.345 40.800 0.131 0.000 1.119 594 D HN 0.413 nan 8.370 nan 0.000 0.498 595 V N 2.761 122.624 119.914 -0.085 0.000 2.317 595 V HA -0.281 3.847 4.120 0.014 0.000 0.251 595 V C 1.918 178.010 176.094 -0.004 0.000 1.065 595 V CA 1.801 64.027 62.300 -0.124 0.000 1.049 595 V CB -0.290 31.327 31.823 -0.343 0.000 0.651 595 V HN 0.409 nan 8.190 nan 0.000 0.450 596 D N -0.037 120.415 120.400 0.087 0.000 2.107 596 D HA -0.048 4.601 4.640 0.014 0.000 0.204 596 D C 1.414 177.779 176.300 0.107 0.000 0.978 596 D CA 0.999 55.089 54.000 0.150 0.000 0.852 596 D CB -0.221 40.751 40.800 0.287 0.000 1.008 596 D HN 0.658 nan 8.370 nan 0.000 0.458 597 Q N 1.877 121.743 119.800 0.110 0.000 2.569 597 Q HA 0.360 4.708 4.340 0.014 0.000 0.226 597 Q C -2.506 173.555 176.000 0.101 0.000 1.136 597 Q CA -1.868 53.986 55.803 0.086 0.000 0.947 597 Q CB 1.267 30.049 28.738 0.073 0.000 1.218 597 Q HN 0.096 nan 8.270 nan 0.000 0.547 598 P HA 0.015 nan 4.420 nan 0.000 0.274 598 P C -0.420 176.974 177.300 0.156 0.000 1.246 598 P CA -0.390 62.832 63.100 0.204 0.000 0.795 598 P CB 0.733 32.570 31.700 0.227 0.000 1.006 599 R N 0.964 121.542 120.500 0.129 0.000 2.643 599 R HA 0.096 4.445 4.340 0.014 0.000 0.270 599 R C -0.149 176.102 176.300 -0.083 0.000 1.061 599 R CA -0.188 55.873 56.100 -0.065 0.000 1.107 599 R CB -0.912 29.231 30.300 -0.262 0.000 0.999 599 R HN 0.438 nan 8.270 nan 0.000 0.460 600 N N 0.499 119.161 118.700 -0.064 0.000 2.699 600 N HA -0.232 4.517 4.740 0.014 0.000 0.256 600 N C -1.241 174.257 175.510 -0.020 0.000 0.993 600 N CA 0.912 53.934 53.050 -0.047 0.000 0.759 600 N CB -1.080 37.361 38.487 -0.076 0.000 0.906 600 N HN 0.481 nan 8.380 nan 0.000 0.541 601 L N 0.000 121.225 121.223 0.003 0.000 2.949 601 L HA 0.000 4.349 4.340 0.014 0.000 0.249 601 L CA 0.000 54.847 54.840 0.012 0.000 0.813 601 L CB 0.000 42.077 42.059 0.029 0.000 0.961 601 L HN 0.000 nan 8.230 nan 0.000 0.502