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 3my0_1_O DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXQRTVA DATA SEQUENCE RQVALVECVG KGRYGEVWRG LWHGESVAVK IFSSRDEQSW FRETEIYNTV DATA SEQUENCE LLRHDNILGF IASDMTSRNS STQLWLITHY HEHGSLYDFL QRQTLEPHLA DATA SEQUENCE LRLAVSAACG LAHLHVEIFG TQGKPAIAHR DFKSRNVLVK SNLQCCIADL DATA SEQUENCE GLAVMHSQGS DYLDIGNNPR VGTKRYMAPE VLDEQIRTDC FESYKWTDIW DATA SEQUENCE AFGLVLWEIA RRTIVNGIVE DYRPPFYDVV PNDPSFEDMK KVVCVDQQTP DATA SEQUENCE TIPNRLAADP VLSGLAQMMR ECWYPNPSAR LTALRIKKTL Q 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.258 176.300 -0.070 0.000 1.140 0 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 0 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 196 R N 1.127 121.593 120.500 -0.056 0.000 2.339 196 R HA 0.019 4.359 4.340 0.000 0.000 0.199 196 R C 1.749 178.024 176.300 -0.041 0.000 1.018 196 R CA 1.760 57.836 56.100 -0.040 0.000 1.036 196 R CB -0.970 29.319 30.300 -0.018 0.000 0.899 196 R HN 0.421 nan 8.270 nan 0.000 0.473 197 T N -4.711 109.811 114.554 -0.053 0.000 2.999 197 T HA 0.038 4.388 4.350 0.000 0.000 0.247 197 T C 1.956 176.628 174.700 -0.046 0.000 1.012 197 T CA 0.962 63.059 62.100 -0.005 0.000 1.048 197 T CB -0.057 68.846 68.868 0.058 0.000 1.020 197 T HN 0.066 nan 8.240 nan 0.000 0.478 198 V N 2.291 122.036 119.914 -0.282 0.000 2.759 198 V HA 0.083 4.204 4.120 0.000 0.000 0.256 198 V C 3.170 179.117 176.094 -0.244 0.000 1.080 198 V CA 1.383 63.312 62.300 -0.619 0.000 1.101 198 V CB -1.474 29.800 31.823 -0.916 0.000 0.698 198 V HN 0.663 nan 8.190 nan 0.000 0.477 199 A N 0.416 123.166 122.820 -0.118 0.000 1.968 199 A HA -0.064 4.256 4.320 0.000 0.000 0.217 199 A C 2.486 180.066 177.584 -0.007 0.000 1.169 199 A CA 1.986 54.013 52.037 -0.017 0.000 0.638 199 A CB -0.428 18.538 19.000 -0.057 0.000 0.812 199 A HN 0.540 nan 8.150 nan 0.000 0.446 200 R N -0.793 119.703 120.500 -0.005 0.000 2.225 200 R HA 0.204 4.544 4.340 0.000 0.000 0.194 200 R C 1.873 178.224 176.300 0.084 0.000 0.957 200 R CA 0.967 57.070 56.100 0.005 0.000 1.042 200 R CB -0.791 29.505 30.300 -0.007 0.000 1.004 200 R HN 0.697 nan 8.270 nan 0.000 0.509 201 Q N 0.088 119.978 119.800 0.150 0.000 2.331 201 Q HA 0.153 4.493 4.340 0.000 0.000 0.203 201 Q C 0.195 176.378 176.000 0.305 0.000 0.944 201 Q CA 0.250 56.204 55.803 0.251 0.000 0.892 201 Q CB 0.375 29.369 28.738 0.427 0.000 0.983 201 Q HN 0.349 nan 8.270 nan 0.000 0.482 202 V N 2.077 122.163 119.914 0.286 0.000 2.540 202 V HA 0.039 4.159 4.120 0.000 0.000 0.297 202 V C 0.168 176.380 176.094 0.196 0.000 1.024 202 V CA -0.022 62.438 62.300 0.265 0.000 1.105 202 V CB 0.608 32.550 31.823 0.198 0.000 0.938 202 V HN 0.178 nan 8.190 nan 0.000 0.482 203 A N 6.806 129.715 122.820 0.148 0.000 2.292 203 A HA 0.740 5.060 4.320 0.000 0.000 0.319 203 A C -0.530 177.096 177.584 0.069 0.000 1.206 203 A CA -0.633 51.462 52.037 0.096 0.000 0.835 203 A CB 0.491 19.536 19.000 0.075 0.000 1.164 203 A HN 0.804 nan 8.150 nan 0.000 0.505 204 L N 3.509 124.761 121.223 0.048 0.000 2.276 204 L HA 0.318 4.658 4.340 0.000 0.000 0.286 204 L C 0.622 177.606 176.870 0.189 0.000 1.061 204 L CA -0.454 54.432 54.840 0.077 0.000 0.807 204 L CB 1.409 43.393 42.059 -0.125 0.000 1.177 204 L HN 0.617 nan 8.230 nan 0.000 0.429 205 V N 1.311 121.347 119.914 0.203 0.000 2.854 205 V HA 0.189 4.309 4.120 0.000 0.000 0.236 205 V C 0.401 176.565 176.094 0.117 0.000 1.157 205 V CA 0.419 62.797 62.300 0.130 0.000 1.187 205 V CB 0.442 32.281 31.823 0.028 0.000 0.949 205 V HN 0.729 nan 8.190 nan 0.000 0.488 206 E N -0.805 119.421 120.200 0.044 0.000 2.290 206 E HA 0.315 4.665 4.350 0.000 0.000 0.274 206 E C -1.665 174.660 176.600 -0.458 0.000 0.889 206 E CA -0.428 55.867 56.400 -0.175 0.000 0.760 206 E CB 2.440 32.066 29.700 -0.124 0.000 1.206 206 E HN 0.359 nan 8.360 nan 0.000 0.419 207 C N 5.185 123.925 119.300 -0.933 0.000 2.349 207 C HA 0.318 4.778 4.460 0.000 0.000 0.348 207 C C 1.372 176.054 174.990 -0.512 0.000 1.223 207 C CA -0.268 58.025 59.018 -1.208 0.000 1.746 207 C CB -1.125 25.742 27.740 -1.455 0.000 2.360 207 C HN 0.591 nan 8.230 nan 0.000 0.533 208 V N 4.168 123.902 119.914 -0.300 0.000 3.578 208 V HA 0.589 4.710 4.120 0.000 0.000 0.290 208 V C 0.730 176.801 176.094 -0.039 0.000 1.376 208 V CA 0.665 62.908 62.300 -0.094 0.000 1.083 208 V CB -0.502 31.353 31.823 0.054 0.000 0.911 208 V HN 1.092 nan 8.190 nan 0.000 0.433 209 G N -0.739 108.024 108.800 -0.061 0.000 2.702 209 G HA2 0.730 4.691 3.960 0.000 0.000 0.296 209 G HA3 0.730 4.691 3.960 0.000 0.000 0.296 209 G C -1.278 173.633 174.900 0.018 0.000 1.463 209 G CA 0.034 45.157 45.100 0.038 0.000 0.890 209 G HN 0.669 nan 8.290 nan 0.000 0.534 210 K N -0.719 119.675 120.400 -0.011 0.000 2.542 210 K HA 1.008 5.328 4.320 0.000 0.000 0.259 210 K C -0.029 176.387 176.600 -0.307 0.000 0.932 210 K CA 0.067 56.259 56.287 -0.158 0.000 0.820 210 K CB 1.765 34.201 32.500 -0.107 0.000 1.345 210 K HN 2.513 nan 8.250 nan 0.000 0.432 211 G N -1.138 107.296 108.800 -0.610 0.000 2.427 211 G HA2 0.560 4.520 3.960 0.000 0.000 0.306 211 G HA3 0.560 4.520 3.960 0.000 0.000 0.306 211 G C 0.679 175.252 174.900 -0.545 0.000 1.280 211 G CA 0.955 45.701 45.100 -0.590 0.000 0.837 211 G HN 1.343 nan 8.290 nan 0.000 0.482 212 R N -1.255 119.064 120.500 -0.301 0.000 2.148 212 R HA 0.053 4.393 4.340 0.000 0.000 0.227 212 R C 2.239 178.494 176.300 -0.074 0.000 1.103 212 R CA 2.570 58.595 56.100 -0.124 0.000 0.983 212 R CB -1.708 28.586 30.300 -0.010 0.000 0.874 212 R HN 1.153 nan 8.270 nan 0.000 0.451 213 Y N -2.004 118.309 120.300 0.021 0.000 2.421 213 Y HA 0.333 4.883 4.550 0.000 0.000 0.292 213 Y C 1.261 177.150 175.900 -0.018 0.000 1.136 213 Y CA -0.100 58.009 58.100 0.016 0.000 1.255 213 Y CB -0.255 38.184 38.460 -0.036 0.000 0.991 213 Y HN 0.532 nan 8.280 nan 0.000 0.552 214 G N -0.174 108.436 108.800 -0.317 0.000 2.253 214 G HA2 0.025 3.985 3.960 0.000 0.000 0.190 214 G HA3 0.025 3.985 3.960 0.000 0.000 0.190 214 G C -1.341 173.419 174.900 -0.233 0.000 1.274 214 G CA -0.373 44.645 45.100 -0.137 0.000 1.275 214 G HN 0.327 nan 8.290 nan 0.000 0.518 215 E N -1.242 118.986 120.200 0.047 0.000 2.356 215 E HA 0.576 4.927 4.350 0.000 0.000 0.275 215 E C -1.361 175.408 176.600 0.281 0.000 0.904 215 E CA -0.828 55.672 56.400 0.166 0.000 0.757 215 E CB 3.161 33.037 29.700 0.294 0.000 1.232 215 E HN 0.434 nan 8.360 nan 0.000 0.442 216 V N 1.920 121.988 119.914 0.258 0.000 2.495 216 V HA 0.438 4.559 4.120 0.000 0.000 0.298 216 V C -1.180 175.014 176.094 0.166 0.000 1.031 216 V CA -0.679 61.746 62.300 0.208 0.000 0.871 216 V CB 0.814 32.718 31.823 0.136 0.000 0.988 216 V HN 0.586 nan 8.190 nan 0.000 0.432 217 W N 2.911 124.170 121.300 -0.068 0.000 2.689 217 W HA 0.638 5.299 4.660 0.000 0.000 0.340 217 W C 0.216 176.665 176.519 -0.116 0.000 1.060 217 W CA -0.879 56.409 57.345 -0.095 0.000 1.218 217 W CB 1.330 30.688 29.460 -0.170 0.000 1.410 217 W HN 0.364 nan 8.180 nan 0.000 0.528 218 R N 1.596 122.091 120.500 -0.009 0.000 2.298 218 R HA 0.601 4.941 4.340 0.000 0.000 0.310 218 R C 0.123 176.338 176.300 -0.141 0.000 1.068 218 R CA -0.054 55.859 56.100 -0.311 0.000 0.957 218 R CB 0.213 30.174 30.300 -0.564 0.000 1.003 218 R HN 0.731 nan 8.270 nan 0.000 0.454 219 G N 3.573 112.277 108.800 -0.160 0.000 2.533 219 G HA2 0.462 4.422 3.960 0.000 0.000 0.304 219 G HA3 0.462 4.422 3.960 0.000 0.000 0.304 219 G C -1.536 173.346 174.900 -0.031 0.000 1.263 219 G CA -0.765 44.308 45.100 -0.046 0.000 0.964 219 G HN 0.516 nan 8.290 nan 0.000 0.479 220 L N 0.833 122.075 121.223 0.032 0.000 2.296 220 L HA 0.608 4.948 4.340 0.000 0.000 0.286 220 L C -1.450 175.518 176.870 0.164 0.000 1.023 220 L CA -0.950 53.923 54.840 0.055 0.000 0.812 220 L CB 1.548 43.618 42.059 0.019 0.000 1.223 220 L HN 0.665 nan 8.230 nan 0.000 0.421 221 W N 4.092 125.380 121.300 -0.019 0.000 2.647 221 W HA 0.416 5.076 4.660 0.000 0.000 0.328 221 W C 0.529 177.044 176.519 -0.007 0.000 1.018 221 W CA 0.068 57.409 57.345 -0.005 0.000 1.245 221 W CB 0.412 29.872 29.460 0.000 0.000 1.356 221 W HN 0.793 nan 8.180 nan 0.000 0.443 222 H N 2.763 121.383 119.070 -0.750 0.000 2.506 222 H HA 0.067 4.624 4.556 0.000 0.000 0.323 222 H C 1.677 176.782 175.328 -0.372 0.000 1.076 222 H CA 1.890 57.503 56.048 -0.726 0.000 1.108 222 H CB -1.522 27.470 29.762 -1.284 0.000 1.569 222 H HN 2.350 nan 8.280 nan 0.000 0.399 223 G N -1.373 107.305 108.800 -0.203 0.000 2.458 223 G HA2 -0.212 3.748 3.960 0.000 0.000 0.237 223 G HA3 -0.212 3.748 3.960 0.000 0.000 0.237 223 G C 0.404 175.269 174.900 -0.058 0.000 1.113 223 G CA 1.000 46.032 45.100 -0.113 0.000 0.655 223 G HN 1.317 nan 8.290 nan 0.000 0.513 224 E N 0.913 121.092 120.200 -0.034 0.000 2.314 224 E HA 0.653 5.003 4.350 0.000 0.000 0.262 224 E C 0.019 176.651 176.600 0.053 0.000 1.093 224 E CA 0.005 56.422 56.400 0.027 0.000 0.908 224 E CB 1.138 30.883 29.700 0.075 0.000 1.091 224 E HN 0.187 nan 8.360 nan 0.000 0.425 225 S N 0.546 116.271 115.700 0.040 0.000 2.480 225 S HA 0.499 4.969 4.470 0.000 0.000 0.286 225 S C -0.635 173.996 174.600 0.052 0.000 1.180 225 S CA -0.838 57.361 58.200 -0.002 0.000 1.075 225 S CB 0.694 63.883 63.200 -0.020 0.000 0.996 225 S HN 0.382 nan 8.310 nan 0.000 0.487 226 V N 0.192 120.110 119.914 0.006 0.000 2.962 226 V HA 0.997 5.117 4.120 0.000 0.000 0.313 226 V C -0.292 175.816 176.094 0.022 0.000 1.099 226 V CA -1.385 60.952 62.300 0.061 0.000 0.971 226 V CB 1.415 33.272 31.823 0.057 0.000 1.028 226 V HN 0.879 nan 8.190 nan 0.000 0.430 227 A N 2.441 125.331 122.820 0.117 0.000 2.290 227 A HA 0.796 5.116 4.320 0.000 0.000 0.310 227 A C -0.426 177.181 177.584 0.038 0.000 1.202 227 A CA -0.562 51.560 52.037 0.142 0.000 0.837 227 A CB 1.057 20.182 19.000 0.209 0.000 1.139 227 A HN 1.417 nan 8.150 nan 0.000 0.509 228 V N 3.722 123.635 119.914 -0.000 0.000 2.326 228 V HA 0.268 4.389 4.120 0.000 0.000 0.281 228 V C 0.193 176.230 176.094 -0.096 0.000 1.015 228 V CA -0.577 61.646 62.300 -0.129 0.000 0.823 228 V CB 1.140 32.728 31.823 -0.391 0.000 1.009 228 V HN 0.902 nan 8.190 nan 0.000 0.436 229 K N 5.747 126.135 120.400 -0.020 0.000 2.284 229 K HA 0.506 4.826 4.320 0.000 0.000 0.287 229 K C -0.650 175.939 176.600 -0.019 0.000 1.081 229 K CA -0.394 55.878 56.287 -0.026 0.000 0.910 229 K CB 0.495 32.954 32.500 -0.068 0.000 1.088 229 K HN 0.627 nan 8.250 nan 0.000 0.478 230 I N 5.778 126.302 120.570 -0.078 0.000 2.312 230 I HA 0.176 4.346 4.170 0.000 0.000 0.291 230 I C -0.199 175.991 176.117 0.122 0.000 1.031 230 I CA -0.637 60.673 61.300 0.017 0.000 1.293 230 I CB 0.457 38.388 38.000 -0.115 0.000 1.403 230 I HN 0.441 nan 8.210 nan 0.000 0.484 231 F N 3.940 123.987 119.950 0.161 0.000 2.375 231 F HA 0.232 4.759 4.527 0.000 0.000 0.333 231 F C 1.216 177.080 175.800 0.106 0.000 1.104 231 F CA -0.218 57.887 58.000 0.175 0.000 1.149 231 F CB 1.250 40.369 39.000 0.198 0.000 1.190 231 F HN 0.479 nan 8.300 nan 0.000 0.533 232 S N 0.767 116.629 115.700 0.269 0.000 2.632 232 S HA 0.369 4.839 4.470 0.000 0.000 0.267 232 S C 1.110 175.806 174.600 0.159 0.000 1.276 232 S CA -0.341 57.953 58.200 0.157 0.000 0.998 232 S CB 1.157 64.413 63.200 0.093 0.000 0.953 232 S HN 0.883 nan 8.310 nan 0.000 0.547 233 S N 1.239 116.995 115.700 0.093 0.000 2.399 233 S HA -0.042 4.428 4.470 0.000 0.000 0.231 233 S C 2.140 176.786 174.600 0.078 0.000 1.022 233 S CA 1.650 59.889 58.200 0.065 0.000 0.983 233 S CB -1.103 62.118 63.200 0.036 0.000 0.803 233 S HN 1.114 nan 8.310 nan 0.000 0.480 234 R N 0.432 120.985 120.500 0.087 0.000 2.285 234 R HA 0.102 4.442 4.340 0.000 0.000 0.213 234 R C 1.349 177.727 176.300 0.129 0.000 1.068 234 R CA 1.444 57.597 56.100 0.090 0.000 1.004 234 R CB -0.840 29.506 30.300 0.076 0.000 0.873 234 R HN 0.547 nan 8.270 nan 0.000 0.467 235 D N -1.085 119.426 120.400 0.187 0.000 2.599 235 D HA 0.113 4.753 4.640 0.000 0.000 0.249 235 D C 0.831 177.301 176.300 0.284 0.000 1.313 235 D CA -0.194 53.967 54.000 0.267 0.000 0.815 235 D CB 0.157 41.183 40.800 0.377 0.000 1.077 235 D HN 0.575 nan 8.370 nan 0.000 0.492 236 E N -0.226 120.082 120.200 0.180 0.000 2.171 236 E HA -0.213 4.137 4.350 0.000 0.000 0.197 236 E C 1.472 178.188 176.600 0.193 0.000 0.997 236 E CA 0.773 57.251 56.400 0.129 0.000 0.810 236 E CB 0.236 29.967 29.700 0.052 0.000 0.738 236 E HN 0.189 nan 8.360 nan 0.000 0.467 237 Q N 0.007 119.906 119.800 0.164 0.000 2.297 237 Q HA -0.011 4.329 4.340 0.000 0.000 0.204 237 Q C 2.043 178.156 176.000 0.188 0.000 0.962 237 Q CA 0.757 56.666 55.803 0.176 0.000 0.879 237 Q CB 0.165 28.970 28.738 0.112 0.000 0.947 237 Q HN 0.110 nan 8.270 nan 0.000 0.462 238 S N -0.384 115.425 115.700 0.181 0.000 2.387 238 S HA -0.124 4.346 4.470 0.000 0.000 0.226 238 S C 1.266 175.885 174.600 0.031 0.000 1.026 238 S CA 0.785 59.090 58.200 0.174 0.000 0.972 238 S CB -0.332 63.078 63.200 0.351 0.000 0.814 238 S HN 0.599 nan 8.310 nan 0.000 0.477 239 W N 1.480 122.479 121.300 -0.501 0.000 2.358 239 W HA -0.169 4.491 4.660 0.000 0.000 0.303 239 W C 1.755 178.136 176.519 -0.229 0.000 1.208 239 W CA 1.136 57.984 57.345 -0.827 0.000 1.274 239 W CB -0.491 28.283 29.460 -1.144 0.000 1.138 239 W HN 0.272 nan 8.180 nan 0.000 0.515 240 F N 1.643 121.502 119.950 -0.151 0.000 2.113 240 F HA -0.123 4.404 4.527 0.000 0.000 0.297 240 F C 2.637 178.236 175.800 -0.336 0.000 1.103 240 F CA 2.422 60.237 58.000 -0.308 0.000 1.248 240 F CB -0.920 38.086 39.000 0.010 0.000 0.999 240 F HN -0.190 nan 8.300 nan 0.000 0.475 241 R N 0.766 121.178 120.500 -0.147 0.000 2.081 241 R HA -0.183 4.157 4.340 0.000 0.000 0.235 241 R C 2.246 178.348 176.300 -0.329 0.000 1.131 241 R CA 2.095 58.058 56.100 -0.228 0.000 0.960 241 R CB -0.739 29.516 30.300 -0.076 0.000 0.856 241 R HN 0.485 nan 8.270 nan 0.000 0.436 242 E N -1.480 118.551 120.200 -0.282 0.000 2.107 242 E HA -0.105 4.245 4.350 0.000 0.000 0.191 242 E C 1.346 177.754 176.600 -0.320 0.000 0.982 242 E CA 1.534 57.786 56.400 -0.247 0.000 0.809 242 E CB 0.094 29.783 29.700 -0.018 0.000 0.756 242 E HN 0.349 nan 8.360 nan 0.000 0.459 243 T N 0.884 115.117 114.554 -0.535 0.000 2.777 243 T HA -0.192 4.158 4.350 0.000 0.000 0.266 243 T C 1.642 176.008 174.700 -0.557 0.000 1.040 243 T CA 1.491 63.233 62.100 -0.598 0.000 1.141 243 T CB -0.238 68.063 68.868 -0.945 0.000 0.868 243 T HN 0.453 nan 8.240 nan 0.000 0.444 244 E N 1.171 120.986 120.200 -0.641 0.000 2.038 244 E HA -0.128 4.223 4.350 0.000 0.000 0.195 244 E C 2.123 178.479 176.600 -0.407 0.000 1.000 244 E CA 1.340 57.413 56.400 -0.545 0.000 0.803 244 E CB -0.598 28.718 29.700 -0.639 0.000 0.750 244 E HN 0.449 nan 8.360 nan 0.000 0.448 245 I N -0.181 120.142 120.570 -0.412 0.000 2.226 245 I HA -0.236 3.934 4.170 0.000 0.000 0.245 245 I C 2.153 178.033 176.117 -0.396 0.000 1.100 245 I CA 1.138 62.208 61.300 -0.385 0.000 1.374 245 I CB -0.312 37.427 38.000 -0.434 0.000 1.057 245 I HN 0.142 nan 8.210 nan 0.000 0.413 246 Y N 0.976 120.974 120.300 -0.503 0.000 2.293 246 Y HA -0.154 4.396 4.550 0.000 0.000 0.291 246 Y C 2.395 177.907 175.900 -0.646 0.000 1.137 246 Y CA 1.107 58.784 58.100 -0.705 0.000 1.202 246 Y CB -0.520 37.115 38.460 -1.376 0.000 0.990 246 Y HN 0.223 nan 8.280 nan 0.000 0.537 247 N N -1.527 116.941 118.700 -0.386 0.000 2.446 247 N HA -0.052 4.688 4.740 0.000 0.000 0.179 247 N C 1.327 176.746 175.510 -0.151 0.000 1.054 247 N CA 1.158 54.074 53.050 -0.223 0.000 0.905 247 N CB 0.122 38.496 38.487 -0.188 0.000 0.973 247 N HN 0.273 nan 8.380 nan 0.000 0.448 248 T N -0.332 114.113 114.554 -0.181 0.000 2.999 248 T HA 0.204 4.554 4.350 0.000 0.000 0.247 248 T C 0.528 175.154 174.700 -0.123 0.000 1.012 248 T CA 0.088 62.100 62.100 -0.147 0.000 1.048 248 T CB 1.045 69.807 68.868 -0.178 0.000 1.020 248 T HN -0.205 nan 8.240 nan 0.000 0.478 249 V N 3.101 122.934 119.914 -0.135 0.000 2.417 249 V HA 0.419 4.539 4.120 0.000 0.000 0.291 249 V C -0.215 175.844 176.094 -0.058 0.000 1.024 249 V CA -0.916 61.316 62.300 -0.113 0.000 0.861 249 V CB 1.660 33.392 31.823 -0.153 0.000 0.985 249 V HN 0.329 nan 8.190 nan 0.000 0.436 250 L N 5.669 126.875 121.223 -0.029 0.000 2.536 250 L HA 0.153 4.493 4.340 0.000 0.000 0.282 250 L C 0.689 177.601 176.870 0.070 0.000 1.147 250 L CA 0.180 55.035 54.840 0.025 0.000 0.936 250 L CB 0.038 42.112 42.059 0.025 0.000 1.279 250 L HN 0.582 nan 8.230 nan 0.000 0.461 251 L N 2.627 123.917 121.223 0.112 0.000 2.781 251 L HA 0.232 4.572 4.340 0.000 0.000 0.245 251 L C 1.281 178.321 176.870 0.283 0.000 1.118 251 L CA 0.151 55.109 54.840 0.197 0.000 0.918 251 L CB 0.006 42.126 42.059 0.101 0.000 1.246 251 L HN 0.489 nan 8.230 nan 0.000 0.526 252 R N 0.881 121.504 120.500 0.205 0.000 2.500 252 R HA -0.050 4.290 4.340 0.000 0.000 0.281 252 R C -0.906 175.484 176.300 0.150 0.000 0.953 252 R CA 0.743 56.947 56.100 0.174 0.000 1.108 252 R CB -0.099 30.276 30.300 0.124 0.000 0.901 252 R HN 0.299 nan 8.270 nan 0.000 0.410 253 H N 2.841 121.907 119.070 -0.007 0.000 3.121 253 H HA 0.026 4.582 4.556 0.000 0.000 0.337 253 H C -0.336 174.973 175.328 -0.032 0.000 1.198 253 H CA -0.584 55.381 56.048 -0.138 0.000 1.274 253 H CB 1.548 31.050 29.762 -0.433 0.000 1.954 253 H HN 0.756 nan 8.280 nan 0.000 0.531 254 D N 2.285 122.548 120.400 -0.229 0.000 2.190 254 D HA -0.150 4.491 4.640 0.000 0.000 0.200 254 D C 0.238 176.616 176.300 0.130 0.000 0.992 254 D CA 1.392 55.367 54.000 -0.040 0.000 0.854 254 D CB 0.218 40.938 40.800 -0.133 0.000 0.936 254 D HN 0.495 nan 8.370 nan 0.000 0.462 255 N N -0.402 118.524 118.700 0.378 0.000 2.380 255 N HA 0.281 5.021 4.740 0.000 0.000 0.255 255 N C -0.415 175.216 175.510 0.202 0.000 1.158 255 N CA -0.030 53.175 53.050 0.259 0.000 0.878 255 N CB 1.034 39.664 38.487 0.239 0.000 1.138 255 N HN 0.076 nan 8.380 nan 0.000 0.509 256 I N 0.741 121.446 120.570 0.224 0.000 2.656 256 I HA 0.193 4.363 4.170 0.000 0.000 0.292 256 I C -0.934 175.328 176.117 0.242 0.000 1.144 256 I CA -1.187 60.243 61.300 0.217 0.000 1.038 256 I CB 2.341 40.476 38.000 0.225 0.000 1.244 256 I HN -0.061 nan 8.210 nan 0.000 0.420 257 L N 5.462 126.839 121.223 0.258 0.000 2.513 257 L HA 0.308 4.648 4.340 0.000 0.000 0.272 257 L C 0.715 177.700 176.870 0.191 0.000 1.187 257 L CA 0.549 55.546 54.840 0.261 0.000 0.895 257 L CB 0.385 42.598 42.059 0.257 0.000 1.147 257 L HN 0.682 nan 8.230 nan 0.000 0.483 258 G N 4.956 113.777 108.800 0.034 0.000 2.378 258 G HA2 0.173 4.133 3.960 0.000 0.000 0.255 258 G HA3 0.173 4.133 3.960 0.000 0.000 0.255 258 G C -0.752 173.883 174.900 -0.442 0.000 1.270 258 G CA -0.450 44.462 45.100 -0.314 0.000 0.876 258 G HN 0.663 nan 8.290 nan 0.000 0.521 259 F N 2.712 122.332 119.950 -0.550 0.000 2.385 259 F HA 0.568 5.095 4.527 0.000 0.000 0.336 259 F C 0.819 176.368 175.800 -0.418 0.000 1.100 259 F CA -0.849 56.753 58.000 -0.663 0.000 1.116 259 F CB 1.112 39.551 39.000 -0.936 0.000 1.166 259 F HN 0.307 nan 8.300 nan 0.000 0.511 260 I N 3.250 123.177 120.570 -1.072 0.000 3.673 260 I HA 0.425 4.596 4.170 0.000 0.000 0.281 260 I C 0.238 175.705 176.117 -1.083 0.000 1.182 260 I CA 0.045 60.854 61.300 -0.819 0.000 1.391 260 I CB 0.475 38.184 38.000 -0.484 0.000 1.383 260 I HN 0.642 nan 8.210 nan 0.000 0.456 261 A N -0.144 121.922 122.820 -1.257 0.000 2.601 261 A HA 0.711 5.031 4.320 0.000 0.000 0.291 261 A C -1.188 176.197 177.584 -0.332 0.000 1.075 261 A CA -0.325 51.262 52.037 -0.749 0.000 0.671 261 A CB 1.773 20.557 19.000 -0.359 0.000 1.277 261 A HN -0.049 nan 8.150 nan 0.000 0.417 262 S N -0.827 114.928 115.700 0.093 0.000 2.547 262 S HA 0.753 5.223 4.470 0.000 0.000 0.281 262 S C -0.880 173.916 174.600 0.327 0.000 1.118 262 S CA 0.703 59.105 58.200 0.336 0.000 0.947 262 S CB 1.325 64.723 63.200 0.330 0.000 1.053 262 S HN 1.883 nan 8.310 nan 0.000 0.482 263 D N 2.704 123.366 120.400 0.436 0.000 2.756 263 D HA 0.616 5.256 4.640 0.000 0.000 0.226 263 D C -0.843 175.537 176.300 0.132 0.000 1.186 263 D CA -0.570 53.567 54.000 0.228 0.000 0.845 263 D CB 1.745 42.566 40.800 0.035 0.000 1.610 263 D HN 0.668 nan 8.370 nan 0.000 0.465 264 M N 2.069 121.670 119.600 0.001 0.000 2.129 264 M HA 0.555 5.035 4.480 0.000 0.000 0.348 264 M C -0.460 175.685 176.300 -0.258 0.000 1.116 264 M CA -0.163 55.027 55.300 -0.184 0.000 1.022 264 M CB 1.319 33.840 32.600 -0.132 0.000 1.599 264 M HN 0.609 nan 8.290 nan 0.000 0.449 265 T N 1.405 115.708 114.554 -0.417 0.000 2.900 265 T HA 0.480 4.830 4.350 0.000 0.000 0.303 265 T C -0.378 174.086 174.700 -0.392 0.000 1.142 265 T CA -0.559 61.256 62.100 -0.476 0.000 1.007 265 T CB 1.721 70.094 68.868 -0.825 0.000 1.156 265 T HN 0.578 nan 8.240 nan 0.000 0.490 266 S N 1.241 116.768 115.700 -0.288 0.000 2.754 266 S HA 0.267 4.737 4.470 0.000 0.000 0.247 266 S C 1.999 176.496 174.600 -0.172 0.000 1.031 266 S CA 0.179 58.263 58.200 -0.193 0.000 1.014 266 S CB 0.296 63.418 63.200 -0.129 0.000 0.918 266 S HN 0.784 nan 8.310 nan 0.000 0.519 267 R N 2.200 122.554 120.500 -0.244 0.000 2.082 267 R HA 0.018 4.358 4.340 0.000 0.000 0.228 267 R C 1.076 177.331 176.300 -0.075 0.000 1.140 267 R CA 1.754 57.759 56.100 -0.159 0.000 0.920 267 R CB -2.029 28.148 30.300 -0.206 0.000 0.828 267 R HN 0.654 nan 8.270 nan 0.000 0.430 268 N N 0.577 119.251 118.700 -0.042 0.000 2.479 268 N HA 0.227 4.967 4.740 0.000 0.000 0.257 268 N C 1.347 176.837 175.510 -0.034 0.000 1.232 268 N CA 0.291 53.343 53.050 0.003 0.000 0.920 268 N CB 0.540 39.067 38.487 0.068 0.000 1.105 268 N HN 0.582 nan 8.380 nan 0.000 0.444 269 S N -0.027 115.659 115.700 -0.023 0.000 2.456 269 S HA -0.152 4.318 4.470 0.000 0.000 0.232 269 S C 1.404 175.979 174.600 -0.042 0.000 1.046 269 S CA 1.743 59.925 58.200 -0.030 0.000 1.175 269 S CB -0.579 62.611 63.200 -0.016 0.000 1.129 269 S HN 1.141 nan 8.310 nan 0.000 0.420 270 S N 1.868 117.550 115.700 -0.029 0.000 2.573 270 S HA 0.259 4.729 4.470 0.000 0.000 0.277 270 S C 0.201 174.765 174.600 -0.060 0.000 1.346 270 S CA -0.324 57.854 58.200 -0.036 0.000 1.034 270 S CB 0.317 63.506 63.200 -0.018 0.000 0.879 270 S HN 0.608 nan 8.310 nan 0.000 0.528 271 T N -1.159 113.348 114.554 -0.077 0.000 2.779 271 T HA 0.551 4.901 4.350 0.000 0.000 0.296 271 T C -0.180 174.452 174.700 -0.114 0.000 0.938 271 T CA -0.183 61.843 62.100 -0.122 0.000 1.119 271 T CB 0.296 69.091 68.868 -0.123 0.000 0.891 271 T HN 1.138 nan 8.240 nan 0.000 0.526 272 Q N 3.082 122.792 119.800 -0.150 0.000 2.399 272 Q HA 0.700 5.040 4.340 0.000 0.000 0.276 272 Q C -0.807 175.105 176.000 -0.146 0.000 1.098 272 Q CA -1.017 54.753 55.803 -0.054 0.000 0.827 272 Q CB 1.363 30.216 28.738 0.192 0.000 1.386 272 Q HN 0.852 nan 8.270 nan 0.000 0.443 273 L N 1.554 122.715 121.223 -0.102 0.000 2.264 273 L HA 0.657 4.997 4.340 0.000 0.000 0.289 273 L C -0.933 176.080 176.870 0.237 0.000 1.044 273 L CA -0.267 54.329 54.840 -0.405 0.000 0.807 273 L CB 0.866 42.281 42.059 -1.075 0.000 1.192 273 L HN 0.737 nan 8.230 nan 0.000 0.425 274 W N 4.592 125.922 121.300 0.050 0.000 2.666 274 W HA 0.624 5.284 4.660 0.000 0.000 0.334 274 W C -1.002 175.839 176.519 0.536 0.000 1.051 274 W CA -0.980 56.538 57.345 0.288 0.000 1.224 274 W CB 1.548 31.089 29.460 0.135 0.000 1.405 274 W HN 0.086 nan 8.180 nan 0.000 0.513 275 L N 4.085 125.727 121.223 0.698 0.000 2.343 275 L HA 0.564 4.904 4.340 0.000 0.000 0.278 275 L C -0.823 176.195 176.870 0.246 0.000 0.996 275 L CA -0.706 54.448 54.840 0.525 0.000 0.831 275 L CB 1.019 43.481 42.059 0.672 0.000 1.232 275 L HN 0.252 nan 8.230 nan 0.000 0.413 276 I N 3.937 124.554 120.570 0.079 0.000 2.354 276 I HA 0.635 4.805 4.170 0.000 0.000 0.292 276 I C 0.276 176.277 176.117 -0.193 0.000 0.989 276 I CA -0.118 61.149 61.300 -0.056 0.000 1.188 276 I CB 1.855 39.799 38.000 -0.092 0.000 1.342 276 I HN 0.706 nan 8.210 nan 0.000 0.457 277 T N 0.392 114.879 114.554 -0.112 0.000 2.804 277 T HA 0.459 4.809 4.350 0.000 0.000 0.290 277 T C -0.267 174.410 174.700 -0.039 0.000 1.099 277 T CA -0.910 61.098 62.100 -0.153 0.000 1.011 277 T CB 0.785 69.612 68.868 -0.068 0.000 1.291 277 T HN 0.490 nan 8.240 nan 0.000 0.523 278 H N -0.551 118.471 119.070 -0.080 0.000 2.929 278 H HA 0.260 4.816 4.556 0.000 0.000 0.358 278 H C -1.077 174.131 175.328 -0.199 0.000 1.111 278 H CA -0.139 55.829 56.048 -0.134 0.000 1.409 278 H CB 0.310 29.969 29.762 -0.172 0.000 1.373 278 H HN 0.544 nan 8.280 nan 0.000 0.610 279 Y N 1.485 121.644 120.300 -0.235 0.000 2.352 279 Y HA 0.234 4.784 4.550 0.000 0.000 0.339 279 Y C -0.904 174.741 175.900 -0.425 0.000 0.992 279 Y CA -0.919 57.035 58.100 -0.244 0.000 1.100 279 Y CB 0.804 39.207 38.460 -0.095 0.000 1.192 279 Y HN 0.626 nan 8.280 nan 0.000 0.458 280 H N 4.489 123.187 119.070 -0.619 0.000 2.708 280 H HA 0.251 4.807 4.556 0.000 0.000 0.320 280 H C 0.516 175.401 175.328 -0.739 0.000 0.991 280 H CA -0.566 55.181 56.048 -0.501 0.000 1.243 280 H CB 1.579 31.195 29.762 -0.244 0.000 1.446 280 H HN 0.799 nan 8.280 nan 0.000 0.502 281 E N 1.537 121.462 120.200 -0.459 0.000 2.118 281 E HA -0.210 4.140 4.350 0.000 0.000 0.195 281 E C 0.771 177.304 176.600 -0.112 0.000 0.992 281 E CA 1.110 57.338 56.400 -0.288 0.000 0.804 281 E CB 0.069 29.689 29.700 -0.132 0.000 0.741 281 E HN 0.739 nan 8.360 nan 0.000 0.458 282 H N -0.259 118.779 119.070 -0.053 0.000 2.518 282 H HA -0.002 4.554 4.556 0.000 0.000 0.289 282 H C 1.266 176.602 175.328 0.015 0.000 1.051 282 H CA -0.027 56.035 56.048 0.024 0.000 1.280 282 H CB 0.117 29.880 29.762 0.000 0.000 1.380 282 H HN 0.262 nan 8.280 nan 0.000 0.566 283 G N 0.254 109.079 108.800 0.041 0.000 2.598 283 G HA2 -0.328 3.632 3.960 0.000 0.000 0.244 283 G HA3 -0.328 3.632 3.960 0.000 0.000 0.244 283 G C 0.153 175.071 174.900 0.030 0.000 1.302 283 G CA -0.115 44.996 45.100 0.018 0.000 0.903 283 G HN 0.544 nan 8.290 nan 0.000 0.575 284 S N -0.726 114.998 115.700 0.041 0.000 2.624 284 S HA 0.485 4.955 4.470 0.000 0.000 0.263 284 S C 1.515 176.148 174.600 0.055 0.000 1.287 284 S CA 0.314 58.530 58.200 0.026 0.000 0.990 284 S CB 1.482 64.699 63.200 0.029 0.000 0.950 284 S HN 1.768 nan 8.310 nan 0.000 0.561 285 L N 0.567 121.804 121.223 0.022 0.000 2.083 285 L HA -0.015 4.325 4.340 0.000 0.000 0.209 285 L C 2.128 179.043 176.870 0.075 0.000 1.083 285 L CA 1.740 56.609 54.840 0.049 0.000 0.752 285 L CB -1.374 40.687 42.059 0.002 0.000 0.899 285 L HN 0.864 nan 8.230 nan 0.000 0.433 286 Y N 0.513 120.773 120.300 -0.065 0.000 2.081 286 Y HA -0.326 4.224 4.550 0.000 0.000 0.280 286 Y C 2.344 178.106 175.900 -0.230 0.000 1.163 286 Y CA 2.321 60.324 58.100 -0.162 0.000 1.135 286 Y CB -0.303 38.098 38.460 -0.099 0.000 0.970 286 Y HN 0.330 nan 8.280 nan 0.000 0.498 287 D N -0.525 119.913 120.400 0.062 0.000 2.097 287 D HA -0.221 4.419 4.640 0.000 0.000 0.195 287 D C 2.050 178.311 176.300 -0.065 0.000 0.989 287 D CA 1.604 55.602 54.000 -0.003 0.000 0.827 287 D CB -0.743 40.113 40.800 0.093 0.000 0.966 287 D HN 0.401 nan 8.370 nan 0.000 0.456 288 F N 1.566 121.424 119.950 -0.153 0.000 2.102 288 F HA -0.086 4.441 4.527 0.000 0.000 0.298 288 F C 2.245 177.919 175.800 -0.210 0.000 1.105 288 F CA 0.997 58.893 58.000 -0.174 0.000 1.239 288 F CB -0.270 38.639 39.000 -0.152 0.000 0.991 288 F HN -0.139 nan 8.300 nan 0.000 0.474 289 L N -0.227 120.904 121.223 -0.153 0.000 2.275 289 L HA -0.185 4.155 4.340 0.000 0.000 0.215 289 L C 2.294 178.937 176.870 -0.379 0.000 1.119 289 L CA 1.030 55.723 54.840 -0.246 0.000 0.790 289 L CB -0.737 41.261 42.059 -0.101 0.000 0.919 289 L HN 0.270 nan 8.230 nan 0.000 0.443 290 Q N 0.674 120.158 119.800 -0.527 0.000 2.020 290 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 290 Q C 2.302 178.132 176.000 -0.283 0.000 0.982 290 Q CA 1.847 57.367 55.803 -0.470 0.000 0.838 290 Q CB 0.124 28.583 28.738 -0.465 0.000 0.899 290 Q HN 0.424 nan 8.270 nan 0.000 0.423 291 R N -0.801 119.524 120.500 -0.292 0.000 2.128 291 R HA 0.150 4.491 4.340 0.000 0.000 0.211 291 R C 0.441 176.560 176.300 -0.302 0.000 1.067 291 R CA 0.377 56.328 56.100 -0.248 0.000 1.010 291 R CB 0.080 30.252 30.300 -0.213 0.000 0.922 291 R HN 0.177 nan 8.270 nan 0.000 0.457 292 Q N 1.736 121.253 119.800 -0.471 0.000 2.235 292 Q HA 0.226 4.566 4.340 0.000 0.000 0.256 292 Q C -0.336 175.430 176.000 -0.390 0.000 0.951 292 Q CA -0.267 55.213 55.803 -0.537 0.000 0.890 292 Q CB 2.224 30.316 28.738 -1.077 0.000 1.279 292 Q HN 0.147 nan 8.270 nan 0.000 0.444 293 T N -1.061 113.333 114.554 -0.267 0.000 2.943 293 T HA 0.722 5.072 4.350 0.000 0.000 0.284 293 T C -0.130 174.486 174.700 -0.141 0.000 1.015 293 T CA -0.795 61.199 62.100 -0.177 0.000 1.042 293 T CB 0.680 69.471 68.868 -0.128 0.000 1.055 293 T HN 0.376 nan 8.240 nan 0.000 0.500 294 L N 2.512 123.682 121.223 -0.089 0.000 2.325 294 L HA 0.423 4.763 4.340 0.000 0.000 0.281 294 L C 0.685 177.544 176.870 -0.018 0.000 1.004 294 L CA -1.067 53.754 54.840 -0.031 0.000 0.823 294 L CB 1.428 43.485 42.059 -0.004 0.000 1.236 294 L HN 0.788 nan 8.230 nan 0.000 0.415 295 E N 2.906 123.110 120.200 0.007 0.000 2.415 295 E HA 0.051 4.401 4.350 0.000 0.000 0.262 295 E C -2.094 174.530 176.600 0.041 0.000 1.038 295 E CA -1.544 54.870 56.400 0.022 0.000 0.921 295 E CB 0.461 30.184 29.700 0.039 0.000 0.950 295 E HN 0.319 nan 8.360 nan 0.000 0.438 296 P HA -0.243 nan 4.420 nan 0.000 0.216 296 P C 1.194 178.523 177.300 0.049 0.000 1.154 296 P CA 1.820 64.936 63.100 0.026 0.000 0.865 296 P CB -0.080 31.632 31.700 0.021 0.000 0.789 297 H N -0.744 118.324 119.070 -0.004 0.000 2.319 297 H HA -0.166 4.391 4.556 0.000 0.000 0.297 297 H C 1.799 177.132 175.328 0.008 0.000 1.097 297 H CA 1.631 57.680 56.048 0.002 0.000 1.285 297 H CB -0.784 28.980 29.762 0.003 0.000 1.368 297 H HN -0.065 nan 8.280 nan 0.000 0.495 298 L N 0.424 121.732 121.223 0.141 0.000 2.056 298 L HA 0.054 4.394 4.340 0.000 0.000 0.207 298 L C 2.456 179.341 176.870 0.026 0.000 1.078 298 L CA 1.922 56.822 54.840 0.099 0.000 0.749 298 L CB -1.402 40.740 42.059 0.138 0.000 0.901 298 L HN 0.392 nan 8.230 nan 0.000 0.433 299 A N -0.340 122.491 122.820 0.018 0.000 1.917 299 A HA -0.164 4.156 4.320 0.000 0.000 0.219 299 A C 2.552 180.119 177.584 -0.029 0.000 1.182 299 A CA 3.099 55.133 52.037 -0.004 0.000 0.633 299 A CB -1.563 17.426 19.000 -0.019 0.000 0.819 299 A HN 0.613 nan 8.150 nan 0.000 0.448 300 L N -0.381 120.807 121.223 -0.058 0.000 2.109 300 L HA 0.052 4.393 4.340 0.000 0.000 0.207 300 L C 2.656 179.476 176.870 -0.084 0.000 1.086 300 L CA 2.627 57.423 54.840 -0.074 0.000 0.760 300 L CB -1.578 40.416 42.059 -0.108 0.000 0.910 300 L HN 0.639 nan 8.230 nan 0.000 0.437 301 R N -0.592 119.832 120.500 -0.127 0.000 2.081 301 R HA -0.068 4.272 4.340 0.000 0.000 0.235 301 R C 2.249 178.523 176.300 -0.044 0.000 1.131 301 R CA 1.549 57.587 56.100 -0.104 0.000 0.960 301 R CB -0.416 29.818 30.300 -0.110 0.000 0.856 301 R HN 0.655 nan 8.270 nan 0.000 0.436 302 L N 0.044 121.247 121.223 -0.033 0.000 2.056 302 L HA -0.068 4.272 4.340 0.000 0.000 0.207 302 L C 2.720 179.597 176.870 0.011 0.000 1.078 302 L CA 1.227 56.052 54.840 -0.026 0.000 0.749 302 L CB -0.617 41.426 42.059 -0.026 0.000 0.901 302 L HN 0.324 nan 8.230 nan 0.000 0.433 303 A N -0.457 122.371 122.820 0.014 0.000 1.898 303 A HA -0.166 4.154 4.320 0.000 0.000 0.216 303 A C 2.412 180.076 177.584 0.133 0.000 1.181 303 A CA 1.803 53.874 52.037 0.058 0.000 0.620 303 A CB -0.863 18.157 19.000 0.033 0.000 0.819 303 A HN 0.193 nan 8.150 nan 0.000 0.442 304 V N 0.811 120.766 119.914 0.068 0.000 2.358 304 V HA -0.192 3.928 4.120 0.000 0.000 0.246 304 V C 2.859 179.001 176.094 0.079 0.000 1.047 304 V CA 2.878 65.217 62.300 0.064 0.000 1.035 304 V CB -0.453 31.380 31.823 0.015 0.000 0.658 304 V HN 0.791 nan 8.190 nan 0.000 0.452 305 S N 0.649 116.388 115.700 0.064 0.000 2.368 305 S HA -0.054 4.416 4.470 0.000 0.000 0.224 305 S C 2.162 176.830 174.600 0.115 0.000 1.029 305 S CA 1.242 59.484 58.200 0.071 0.000 0.988 305 S CB -0.713 62.507 63.200 0.033 0.000 0.838 305 S HN 0.779 nan 8.310 nan 0.000 0.462 306 A N 2.436 125.350 122.820 0.157 0.000 1.908 306 A HA 0.196 4.517 4.320 0.000 0.000 0.218 306 A C 2.558 180.335 177.584 0.322 0.000 1.181 306 A CA 1.962 54.164 52.037 0.275 0.000 0.627 306 A CB -1.555 17.640 19.000 0.325 0.000 0.818 306 A HN 0.885 nan 8.150 nan 0.000 0.445 307 A N -1.066 121.931 122.820 0.294 0.000 1.933 307 A HA -0.172 4.148 4.320 0.000 0.000 0.218 307 A C 2.295 179.843 177.584 -0.059 0.000 1.175 307 A CA 1.714 53.753 52.037 0.004 0.000 0.628 307 A CB -1.253 17.736 19.000 -0.018 0.000 0.814 307 A HN 0.623 nan 8.150 nan 0.000 0.444 308 C N -1.101 118.214 119.300 0.025 0.000 2.432 308 C HA 0.028 4.488 4.460 0.000 0.000 0.277 308 C C 3.016 177.977 174.990 -0.048 0.000 1.249 308 C CA 0.481 59.514 59.018 0.026 0.000 1.725 308 C CB -1.638 26.172 27.740 0.117 0.000 2.028 308 C HN 0.700 nan 8.230 nan 0.000 0.477 309 G N 0.384 109.179 108.800 -0.008 0.000 2.491 309 G HA2 -0.247 3.714 3.960 0.000 0.000 0.218 309 G HA3 -0.247 3.714 3.960 0.000 0.000 0.218 309 G C 1.508 176.382 174.900 -0.043 0.000 1.180 309 G CA 1.110 46.190 45.100 -0.034 0.000 0.774 309 G HN 0.435 nan 8.290 nan 0.000 0.562 310 L N 1.277 122.448 121.223 -0.086 0.000 2.093 310 L HA 0.190 4.530 4.340 0.000 0.000 0.208 310 L C 3.145 179.794 176.870 -0.369 0.000 1.085 310 L CA 1.942 56.613 54.840 -0.282 0.000 0.755 310 L CB -0.684 41.054 42.059 -0.535 0.000 0.904 310 L HN 0.264 nan 8.230 nan 0.000 0.435 311 A N -1.534 121.126 122.820 -0.268 0.000 1.908 311 A HA -0.304 4.016 4.320 0.000 0.000 0.218 311 A C 2.410 179.954 177.584 -0.066 0.000 1.181 311 A CA 1.867 53.804 52.037 -0.167 0.000 0.627 311 A CB -1.084 17.855 19.000 -0.102 0.000 0.818 311 A HN 0.695 nan 8.150 nan 0.000 0.445 312 H N -0.198 118.766 119.070 -0.177 0.000 2.353 312 H HA -0.049 4.507 4.556 0.000 0.000 0.300 312 H C 1.968 177.243 175.328 -0.088 0.000 1.090 312 H CA 1.712 57.653 56.048 -0.179 0.000 1.327 312 H CB -0.124 29.358 29.762 -0.467 0.000 1.383 312 H HN 0.422 nan 8.280 nan 0.000 0.508 313 L N -0.215 120.947 121.223 -0.102 0.000 2.017 313 L HA -0.222 4.118 4.340 0.000 0.000 0.208 313 L C 2.666 179.579 176.870 0.072 0.000 1.073 313 L CA 1.487 56.308 54.840 -0.032 0.000 0.745 313 L CB -0.648 41.477 42.059 0.110 0.000 0.894 313 L HN 0.457 nan 8.230 nan 0.000 0.432 314 H N -1.754 117.275 119.070 -0.068 0.000 2.395 314 H HA -0.013 4.543 4.556 0.000 0.000 0.299 314 H C 0.735 176.051 175.328 -0.020 0.000 1.070 314 H CA 0.133 56.172 56.048 -0.015 0.000 1.356 314 H CB 0.404 30.133 29.762 -0.054 0.000 1.401 314 H HN 0.036 nan 8.280 nan 0.000 0.524 315 V N 2.352 122.290 119.914 0.040 0.000 2.488 315 V HA 0.004 4.124 4.120 0.000 0.000 0.277 315 V C -0.040 175.975 176.094 -0.131 0.000 1.046 315 V CA -0.247 62.037 62.300 -0.027 0.000 0.986 315 V CB 1.178 32.990 31.823 -0.019 0.000 0.989 315 V HN 0.299 nan 8.190 nan 0.000 0.475 316 E N 5.190 125.278 120.200 -0.186 0.000 2.324 316 E HA 0.268 4.618 4.350 0.000 0.000 0.271 316 E C -0.781 175.604 176.600 -0.358 0.000 1.028 316 E CA -0.459 55.727 56.400 -0.356 0.000 0.890 316 E CB 0.759 30.130 29.700 -0.548 0.000 1.004 316 E HN 0.632 nan 8.360 nan 0.000 0.431 317 I N 4.814 125.196 120.570 -0.312 0.000 2.396 317 I HA 0.205 4.375 4.170 0.000 0.000 0.292 317 I C -0.434 175.504 176.117 -0.298 0.000 0.999 317 I CA -0.031 61.149 61.300 -0.201 0.000 1.310 317 I CB 0.653 38.608 38.000 -0.074 0.000 1.404 317 I HN 0.428 nan 8.210 nan 0.000 0.496 318 F N 3.473 123.402 119.950 -0.035 0.000 2.399 318 F HA 0.789 5.317 4.527 0.000 0.000 0.328 318 F C 0.956 176.740 175.800 -0.027 0.000 1.084 318 F CA -0.028 57.948 58.000 -0.040 0.000 1.053 318 F CB 1.412 40.390 39.000 -0.036 0.000 1.209 318 F HN 0.676 nan 8.300 nan 0.000 0.502 319 G N 1.021 109.933 108.800 0.188 0.000 2.422 319 G HA2 -0.107 3.853 3.960 0.000 0.000 0.607 319 G HA3 -0.107 3.853 3.960 0.000 0.000 0.607 319 G C 0.159 175.087 174.900 0.047 0.000 1.270 319 G CA -0.359 44.798 45.100 0.094 0.000 0.992 319 G HN 0.615 nan 8.290 nan 0.000 0.499 320 T N 0.439 115.012 114.554 0.031 0.000 3.081 320 T HA 0.103 4.453 4.350 0.000 0.000 0.255 320 T C 1.559 176.266 174.700 0.012 0.000 1.113 320 T CA 1.543 63.652 62.100 0.015 0.000 1.082 320 T CB 0.041 68.917 68.868 0.013 0.000 0.939 320 T HN 0.394 nan 8.240 nan 0.000 0.506 321 Q N 0.934 120.747 119.800 0.020 0.000 2.201 321 Q HA 0.357 4.697 4.340 0.000 0.000 0.217 321 Q C 0.941 176.951 176.000 0.018 0.000 0.860 321 Q CA -0.214 55.602 55.803 0.022 0.000 0.984 321 Q CB 0.388 29.145 28.738 0.032 0.000 1.095 321 Q HN 0.504 nan 8.270 nan 0.000 0.477 322 G N 0.242 109.041 108.800 -0.001 0.000 2.525 322 G HA2 0.619 4.579 3.960 0.000 0.000 0.287 322 G HA3 0.619 4.579 3.960 0.000 0.000 0.287 322 G C -0.720 174.135 174.900 -0.075 0.000 1.350 322 G CA 0.116 45.193 45.100 -0.038 0.000 1.039 322 G HN 0.250 nan 8.290 nan 0.000 0.513 323 K N -0.055 120.260 120.400 -0.142 0.000 2.562 323 K HA 0.751 5.071 4.320 0.000 0.000 0.267 323 K C -3.091 173.361 176.600 -0.248 0.000 0.938 323 K CA -1.305 54.882 56.287 -0.168 0.000 0.840 323 K CB 1.435 33.845 32.500 -0.149 0.000 1.390 323 K HN 0.592 nan 8.250 nan 0.000 0.428 324 P HA 0.435 nan 4.420 nan 0.000 0.274 324 P C -0.151 176.971 177.300 -0.296 0.000 1.256 324 P CA -0.103 62.807 63.100 -0.316 0.000 0.795 324 P CB 0.866 32.391 31.700 -0.292 0.000 1.038 325 A N 1.611 124.223 122.820 -0.346 0.000 2.450 325 A HA 0.425 4.746 4.320 0.000 0.000 0.255 325 A C 0.218 177.752 177.584 -0.083 0.000 1.096 325 A CA -0.097 51.816 52.037 -0.208 0.000 0.778 325 A CB -0.834 18.033 19.000 -0.221 0.000 1.031 325 A HN 0.436 nan 8.150 nan 0.000 0.494 326 I N 1.607 122.250 120.570 0.120 0.000 2.498 326 I HA 0.545 4.715 4.170 0.000 0.000 0.290 326 I C 0.337 176.591 176.117 0.228 0.000 1.032 326 I CA -0.322 61.071 61.300 0.154 0.000 1.073 326 I CB 2.147 40.149 38.000 0.003 0.000 1.251 326 I HN 0.681 nan 8.210 nan 0.000 0.426 327 A N 4.227 127.150 122.820 0.171 0.000 2.317 327 A HA 0.399 4.719 4.320 0.000 0.000 0.327 327 A C 0.482 178.128 177.584 0.102 0.000 1.178 327 A CA -0.417 51.629 52.037 0.016 0.000 0.817 327 A CB 0.646 19.479 19.000 -0.278 0.000 1.189 327 A HN 0.898 nan 8.150 nan 0.000 0.489 328 H N 2.182 121.329 119.070 0.127 0.000 2.284 328 H HA -0.041 4.515 4.556 0.000 0.000 0.304 328 H C 1.931 177.319 175.328 0.100 0.000 1.069 328 H CA 3.012 59.140 56.048 0.134 0.000 1.327 328 H CB 0.292 30.202 29.762 0.247 0.000 1.387 328 H HN 1.288 nan 8.280 nan 0.000 0.498 329 R N 0.250 120.950 120.500 0.332 0.000 3.840 329 R HA -0.183 4.157 4.340 0.000 0.000 0.464 329 R C 0.484 176.966 176.300 0.303 0.000 0.986 329 R CA 1.785 58.035 56.100 0.249 0.000 1.305 329 R CB -2.971 27.383 30.300 0.090 0.000 1.950 329 R HN 0.531 nan 8.270 nan 0.000 0.526 330 D N -1.823 118.879 120.400 0.503 0.000 3.078 330 D HA 0.341 4.981 4.640 0.000 0.000 0.363 330 D C -0.800 175.609 176.300 0.182 0.000 1.391 330 D CA -0.513 53.690 54.000 0.339 0.000 0.754 330 D CB -0.403 40.547 40.800 0.250 0.000 1.238 330 D HN 0.443 nan 8.370 nan 0.000 0.500 331 F N 2.645 122.565 119.950 -0.050 0.000 2.472 331 F HA 0.322 4.849 4.527 0.000 0.000 0.364 331 F C 0.397 176.022 175.800 -0.291 0.000 1.090 331 F CA 0.280 58.092 58.000 -0.313 0.000 1.188 331 F CB 0.196 39.115 39.000 -0.135 0.000 1.105 331 F HN -0.003 nan 8.300 nan 0.000 0.536 332 K N 1.721 121.605 120.400 -0.860 0.000 2.578 332 K HA 0.335 4.655 4.320 0.000 0.000 0.287 332 K C 0.029 176.221 176.600 -0.680 0.000 1.010 332 K CA -0.270 55.459 56.287 -0.930 0.000 0.889 332 K CB 1.134 32.942 32.500 -1.152 0.000 1.514 332 K HN 0.356 nan 8.250 nan 0.000 0.424 333 S N 0.110 115.606 115.700 -0.340 0.000 2.423 333 S HA -0.096 4.374 4.470 0.000 0.000 0.231 333 S C 1.511 176.048 174.600 -0.105 0.000 1.014 333 S CA 0.443 58.571 58.200 -0.120 0.000 0.965 333 S CB -0.403 62.897 63.200 0.166 0.000 0.785 333 S HN 0.582 nan 8.310 nan 0.000 0.495 334 R N 1.314 121.723 120.500 -0.151 0.000 2.235 334 R HA 0.178 4.518 4.340 0.000 0.000 0.213 334 R C 0.462 176.652 176.300 -0.183 0.000 1.059 334 R CA 0.679 56.687 56.100 -0.153 0.000 0.997 334 R CB -0.224 29.942 30.300 -0.224 0.000 0.884 334 R HN 0.380 nan 8.270 nan 0.000 0.462 335 N N 0.058 118.602 118.700 -0.261 0.000 2.273 335 N HA 0.089 4.829 4.740 0.000 0.000 0.231 335 N C -0.980 174.390 175.510 -0.234 0.000 1.134 335 N CA 0.164 53.084 53.050 -0.217 0.000 0.856 335 N CB 1.267 39.635 38.487 -0.197 0.000 1.068 335 N HN -0.133 nan 8.380 nan 0.000 0.510 336 V N 1.529 121.302 119.914 -0.235 0.000 2.531 336 V HA 0.432 4.552 4.120 0.000 0.000 0.301 336 V C 0.028 176.063 176.094 -0.099 0.000 1.034 336 V CA -0.771 61.427 62.300 -0.169 0.000 0.865 336 V CB 2.263 33.952 31.823 -0.223 0.000 0.995 336 V HN -0.019 nan 8.190 nan 0.000 0.424 337 L N 4.371 125.550 121.223 -0.074 0.000 2.375 337 L HA 0.645 4.985 4.340 0.000 0.000 0.268 337 L C -0.397 176.367 176.870 -0.177 0.000 1.058 337 L CA -0.703 54.083 54.840 -0.090 0.000 0.803 337 L CB 1.910 43.950 42.059 -0.032 0.000 1.212 337 L HN 0.359 nan 8.230 nan 0.000 0.451 338 V N 1.995 121.791 119.914 -0.197 0.000 2.384 338 V HA 0.322 4.442 4.120 0.000 0.000 0.287 338 V C 0.081 176.025 176.094 -0.250 0.000 1.020 338 V CA -0.914 61.212 62.300 -0.289 0.000 0.850 338 V CB 1.275 32.783 31.823 -0.525 0.000 0.987 338 V HN 0.643 nan 8.190 nan 0.000 0.436 339 K N 2.267 122.483 120.400 -0.307 0.000 2.117 339 K HA 0.339 4.659 4.320 0.000 0.000 0.240 339 K C 1.345 177.881 176.600 -0.106 0.000 1.031 339 K CA -0.303 55.822 56.287 -0.271 0.000 0.909 339 K CB 0.495 32.829 32.500 -0.277 0.000 1.097 339 K HN 0.579 nan 8.250 nan 0.000 0.492 340 S N 1.231 116.881 115.700 -0.083 0.000 2.374 340 S HA -0.177 4.293 4.470 0.000 0.000 0.227 340 S C 1.136 175.737 174.600 0.002 0.000 1.037 340 S CA 1.945 60.101 58.200 -0.072 0.000 1.024 340 S CB -0.480 62.690 63.200 -0.049 0.000 0.861 340 S HN 0.690 nan 8.310 nan 0.000 0.456 341 N N 1.900 120.592 118.700 -0.014 0.000 2.413 341 N HA 0.129 4.869 4.740 0.000 0.000 0.207 341 N C 0.100 175.603 175.510 -0.012 0.000 1.206 341 N CA -0.004 53.046 53.050 0.000 0.000 0.832 341 N CB -1.058 37.427 38.487 -0.004 0.000 1.037 341 N HN 0.368 nan 8.380 nan 0.000 0.467 342 L N -2.038 119.164 121.223 -0.034 0.000 3.737 342 L HA -0.316 4.024 4.340 0.000 0.000 0.418 342 L C -0.379 176.424 176.870 -0.111 0.000 1.216 342 L CA 0.659 55.434 54.840 -0.107 0.000 0.915 342 L CB -2.051 39.985 42.059 -0.039 0.000 1.834 342 L HN 0.454 nan 8.230 nan 0.000 0.943 343 Q N -0.993 118.743 119.800 -0.106 0.000 2.301 343 Q HA 0.564 4.904 4.340 0.000 0.000 0.267 343 Q C -0.192 175.731 176.000 -0.128 0.000 1.035 343 Q CA -0.591 55.158 55.803 -0.089 0.000 0.856 343 Q CB 2.370 31.080 28.738 -0.047 0.000 1.337 343 Q HN 0.346 nan 8.270 nan 0.000 0.450 344 C N 0.927 120.176 119.300 -0.085 0.000 2.443 344 C HA 0.725 5.185 4.460 0.000 0.000 0.369 344 C C 0.074 175.036 174.990 -0.047 0.000 1.241 344 C CA -0.853 58.115 59.018 -0.083 0.000 2.413 344 C CB -0.302 27.426 27.740 -0.019 0.000 2.451 344 C HN 0.916 nan 8.230 nan 0.000 0.595 345 C N 1.226 120.493 119.300 -0.055 0.000 2.783 345 C HA 0.724 5.184 4.460 0.000 0.000 0.312 345 C C -0.728 174.300 174.990 0.064 0.000 1.182 345 C CA -0.917 58.120 59.018 0.031 0.000 1.432 345 C CB -0.630 27.129 27.740 0.032 0.000 1.933 345 C HN 0.818 nan 8.230 nan 0.000 0.473 346 I N 3.063 123.711 120.570 0.131 0.000 2.474 346 I HA 0.578 4.748 4.170 0.000 0.000 0.287 346 I C 0.844 177.075 176.117 0.190 0.000 1.048 346 I CA 0.322 61.715 61.300 0.155 0.000 1.383 346 I CB 1.162 39.316 38.000 0.256 0.000 1.412 346 I HN 1.042 nan 8.210 nan 0.000 0.531 347 A N 3.895 126.821 122.820 0.177 0.000 2.389 347 A HA 0.607 4.927 4.320 0.000 0.000 0.293 347 A C -0.513 177.226 177.584 0.257 0.000 1.186 347 A CA -0.408 51.751 52.037 0.203 0.000 0.828 347 A CB 1.102 20.180 19.000 0.130 0.000 1.369 347 A HN 0.770 nan 8.150 nan 0.000 0.446 348 D N -1.673 118.833 120.400 0.177 0.000 3.729 348 D HA -0.105 4.535 4.640 0.000 0.000 0.242 348 D C -0.631 175.619 176.300 -0.083 0.000 1.091 348 D CA 0.355 54.419 54.000 0.107 0.000 1.096 348 D CB -0.969 39.890 40.800 0.098 0.000 0.901 348 D HN 0.301 nan 8.370 nan 0.000 0.416 349 L N 2.099 123.243 121.223 -0.131 0.000 2.685 349 L HA 0.362 4.702 4.340 0.000 0.000 0.233 349 L C 2.494 179.236 176.870 -0.215 0.000 1.173 349 L CA 0.869 55.523 54.840 -0.310 0.000 0.961 349 L CB 0.172 41.994 42.059 -0.395 0.000 1.217 349 L HN 0.500 nan 8.230 nan 0.000 0.478 350 G N -0.638 108.114 108.800 -0.081 0.000 2.462 350 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 350 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 350 G C 1.313 176.196 174.900 -0.029 0.000 1.121 350 G CA 0.464 45.564 45.100 -0.000 0.000 0.758 350 G HN 0.385 nan 8.290 nan 0.000 0.559 351 L N 0.454 121.634 121.223 -0.072 0.000 2.857 351 L HA 0.425 4.766 4.340 0.000 0.000 0.249 351 L C 1.397 178.198 176.870 -0.116 0.000 1.172 351 L CA -0.593 54.212 54.840 -0.058 0.000 0.980 351 L CB 0.334 42.390 42.059 -0.004 0.000 1.299 351 L HN 0.205 nan 8.230 nan 0.000 0.535 352 A N 0.886 123.605 122.820 -0.168 0.000 2.483 352 A HA 0.407 4.727 4.320 0.000 0.000 0.238 352 A C -0.028 177.472 177.584 -0.140 0.000 1.070 352 A CA -0.013 51.926 52.037 -0.164 0.000 0.770 352 A CB 0.374 19.254 19.000 -0.200 0.000 1.008 352 A HN 0.113 nan 8.150 nan 0.000 0.497 353 V N 0.177 120.024 119.914 -0.112 0.000 2.914 353 V HA 0.861 4.981 4.120 0.000 0.000 0.314 353 V C -0.366 175.776 176.094 0.080 0.000 1.084 353 V CA -1.015 61.233 62.300 -0.086 0.000 0.963 353 V CB 1.739 33.410 31.823 -0.252 0.000 1.025 353 V HN 0.871 nan 8.190 nan 0.000 0.432 354 M N 3.638 123.247 119.600 0.016 0.000 2.518 354 M HA 0.614 5.094 4.480 0.000 0.000 0.300 354 M C -1.098 175.066 176.300 -0.226 0.000 1.175 354 M CA -0.395 54.842 55.300 -0.104 0.000 0.890 354 M CB 2.384 34.897 32.600 -0.145 0.000 1.710 354 M HN 1.055 nan 8.290 nan 0.000 0.453 355 H N 0.334 118.965 119.070 -0.733 0.000 2.894 355 H HA 0.565 5.121 4.556 0.000 0.000 0.367 355 H C -1.839 173.146 175.328 -0.571 0.000 1.144 355 H CA -0.383 55.231 56.048 -0.724 0.000 1.180 355 H CB 2.137 31.192 29.762 -1.178 0.000 1.758 355 H HN 0.717 nan 8.280 nan 0.000 0.541 356 S N 2.857 118.016 115.700 -0.901 0.000 2.482 356 S HA 0.093 4.563 4.470 0.000 0.000 0.303 356 S C -0.498 173.609 174.600 -0.823 0.000 1.091 356 S CA -0.684 57.094 58.200 -0.703 0.000 1.057 356 S CB 2.039 65.008 63.200 -0.385 0.000 1.031 356 S HN 0.642 nan 8.310 nan 0.000 0.485 357 Q N 1.352 120.867 119.800 -0.476 0.000 2.247 357 Q HA 0.405 4.746 4.340 0.000 0.000 0.288 357 Q C 0.817 176.775 176.000 -0.071 0.000 1.079 357 Q CA 1.247 56.950 55.803 -0.165 0.000 0.932 357 Q CB -0.153 28.689 28.738 0.173 0.000 1.133 357 Q HN 0.967 nan 8.270 nan 0.000 0.377 358 G N 1.581 110.348 108.800 -0.056 0.000 1.876 358 G HA2 0.350 4.310 3.960 0.000 0.000 0.059 358 G HA3 0.350 4.310 3.960 0.000 0.000 0.059 358 G C -0.627 174.278 174.900 0.009 0.000 0.755 358 G CA 0.002 45.086 45.100 -0.027 0.000 1.092 358 G HN 1.081 nan 8.290 nan 0.000 0.322 359 S N -1.242 114.463 115.700 0.008 0.000 2.615 359 S HA 0.722 5.193 4.470 0.000 0.000 0.268 359 S C -0.437 174.211 174.600 0.080 0.000 1.146 359 S CA 1.126 59.368 58.200 0.070 0.000 0.818 359 S CB -0.053 63.171 63.200 0.040 0.000 1.111 359 S HN 2.034 nan 8.310 nan 0.000 0.465 360 D N -0.318 120.138 120.400 0.092 0.000 2.488 360 D HA 0.540 5.180 4.640 0.000 0.000 0.238 360 D C 0.589 176.912 176.300 0.038 0.000 1.138 360 D CA 0.737 54.780 54.000 0.072 0.000 0.873 360 D CB -0.647 40.182 40.800 0.049 0.000 1.183 360 D HN 1.808 nan 8.370 nan 0.000 0.458 361 Y N -1.561 118.756 120.300 0.028 0.000 2.550 361 Y HA 0.482 5.032 4.550 0.000 0.000 0.343 361 Y C 1.016 176.956 175.900 0.065 0.000 1.245 361 Y CA -0.387 57.734 58.100 0.034 0.000 1.462 361 Y CB 0.031 38.499 38.460 0.014 0.000 1.340 361 Y HN 1.524 nan 8.280 nan 0.000 0.604 362 L N 2.984 124.245 121.223 0.064 0.000 2.295 362 L HA 0.515 4.855 4.340 0.000 0.000 0.281 362 L C 0.005 176.898 176.870 0.038 0.000 1.018 362 L CA -0.826 54.060 54.840 0.077 0.000 0.841 362 L CB 0.761 42.867 42.059 0.078 0.000 1.218 362 L HN 0.936 nan 8.230 nan 0.000 0.424 363 D N 3.027 123.428 120.400 0.002 0.000 2.357 363 D HA 0.342 4.982 4.640 0.000 0.000 0.265 363 D C 0.811 177.089 176.300 -0.036 0.000 1.334 363 D CA 0.980 54.965 54.000 -0.026 0.000 0.984 363 D CB 1.148 41.912 40.800 -0.061 0.000 1.077 363 D HN 0.674 nan 8.370 nan 0.000 0.514 364 I N 1.581 122.134 120.570 -0.028 0.000 3.939 364 I HA 0.432 4.603 4.170 0.000 0.000 0.313 364 I C 1.414 177.500 176.117 -0.052 0.000 1.274 364 I CA 0.836 62.099 61.300 -0.062 0.000 1.301 364 I CB -0.774 37.210 38.000 -0.027 0.000 1.105 364 I HN 0.705 nan 8.210 nan 0.000 0.427 365 G N -0.259 108.530 108.800 -0.017 0.000 2.627 365 G HA2 0.345 4.305 3.960 0.000 0.000 0.214 365 G HA3 0.345 4.305 3.960 0.000 0.000 0.214 365 G C -0.083 174.834 174.900 0.028 0.000 1.331 365 G CA 0.338 45.443 45.100 0.009 0.000 0.891 365 G HN 2.070 nan 8.290 nan 0.000 0.539 366 N N -0.301 118.427 118.700 0.047 0.000 2.628 366 N HA 0.501 5.242 4.740 0.000 0.000 0.299 366 N C -0.336 175.202 175.510 0.048 0.000 1.834 366 N CA 0.546 53.621 53.050 0.042 0.000 0.871 366 N CB 0.834 39.342 38.487 0.035 0.000 1.377 366 N HN 0.829 nan 8.380 nan 0.000 0.493 367 N N 1.802 120.532 118.700 0.051 0.000 2.457 367 N HA 0.342 5.082 4.740 0.000 0.000 0.250 367 N C -1.381 174.167 175.510 0.062 0.000 0.982 367 N CA -1.915 51.173 53.050 0.062 0.000 0.941 367 N CB 2.057 40.583 38.487 0.065 0.000 1.120 367 N HN 0.215 nan 8.380 nan 0.000 0.505 368 P HA -0.138 nan 4.420 nan 0.000 0.219 368 P C 0.352 177.698 177.300 0.077 0.000 1.146 368 P CA 0.559 63.700 63.100 0.068 0.000 0.808 368 P CB 0.442 32.180 31.700 0.063 0.000 0.779 369 R N 1.359 121.908 120.500 0.082 0.000 2.698 369 R HA 0.209 4.550 4.340 0.000 0.000 0.266 369 R C -0.076 176.270 176.300 0.077 0.000 1.026 369 R CA -0.040 56.110 56.100 0.084 0.000 1.102 369 R CB 0.405 30.766 30.300 0.101 0.000 0.978 369 R HN 0.004 nan 8.270 nan 0.000 0.436 370 V N 0.481 120.434 119.914 0.064 0.000 3.158 370 V HA 0.722 4.842 4.120 0.000 0.000 0.315 370 V C 0.491 176.617 176.094 0.054 0.000 1.148 370 V CA -0.604 61.733 62.300 0.062 0.000 1.042 370 V CB 1.182 33.034 31.823 0.049 0.000 1.101 370 V HN 0.926 nan 8.190 nan 0.000 0.448 371 G N 0.280 109.123 108.800 0.071 0.000 2.630 371 G HA2 0.380 4.340 3.960 0.000 0.000 0.236 371 G HA3 0.380 4.340 3.960 0.000 0.000 0.236 371 G C 0.160 175.096 174.900 0.060 0.000 1.248 371 G CA 0.135 45.292 45.100 0.095 0.000 0.844 371 G HN 1.027 nan 8.290 nan 0.000 0.588 372 T N 1.785 116.403 114.554 0.107 0.000 2.831 372 T HA 0.027 4.377 4.350 0.000 0.000 0.291 372 T C 1.690 176.476 174.700 0.143 0.000 0.981 372 T CA 0.188 62.364 62.100 0.128 0.000 1.174 372 T CB 0.839 69.817 68.868 0.183 0.000 0.929 372 T HN 0.573 nan 8.240 nan 0.000 0.532 373 K N 2.860 123.274 120.400 0.022 0.000 2.113 373 K HA -0.183 4.137 4.320 0.000 0.000 0.208 373 K C 2.411 179.025 176.600 0.024 0.000 1.047 373 K CA 1.171 57.420 56.287 -0.062 0.000 0.928 373 K CB -0.043 32.364 32.500 -0.156 0.000 0.716 373 K HN 0.421 nan 8.250 nan 0.000 0.446 374 R N 0.139 120.695 120.500 0.094 0.000 2.127 374 R HA -0.165 4.175 4.340 0.000 0.000 0.238 374 R C 1.049 177.364 176.300 0.024 0.000 1.134 374 R CA 1.549 57.664 56.100 0.026 0.000 0.975 374 R CB 0.002 30.316 30.300 0.024 0.000 0.865 374 R HN 0.307 nan 8.270 nan 0.000 0.447 375 Y N -0.971 119.454 120.300 0.208 0.000 2.467 375 Y HA 0.236 4.786 4.550 0.000 0.000 0.250 375 Y C 0.310 176.432 175.900 0.371 0.000 1.155 375 Y CA -0.545 57.762 58.100 0.346 0.000 1.249 375 Y CB 0.422 39.064 38.460 0.303 0.000 1.146 375 Y HN -0.065 nan 8.280 nan 0.000 0.524 376 M N 0.965 120.732 119.600 0.278 0.000 2.228 376 M HA 0.266 4.746 4.480 0.000 0.000 0.351 376 M C 0.638 176.831 176.300 -0.178 0.000 1.233 376 M CA -0.156 55.205 55.300 0.101 0.000 1.129 376 M CB 0.588 33.209 32.600 0.036 0.000 1.604 376 M HN 0.252 nan 8.290 nan 0.000 0.457 377 A N 5.573 128.144 122.820 -0.415 0.000 2.327 377 A HA 0.317 4.637 4.320 0.000 0.000 0.255 377 A C -1.815 175.338 177.584 -0.719 0.000 1.099 377 A CA -1.220 50.152 52.037 -1.109 0.000 0.801 377 A CB -0.490 18.135 19.000 -0.625 0.000 1.062 377 A HN 0.647 nan 8.150 nan 0.000 0.496 378 P HA -0.194 nan 4.420 nan 0.000 0.215 378 P C 1.261 178.418 177.300 -0.240 0.000 1.157 378 P CA 1.694 64.542 63.100 -0.420 0.000 0.868 378 P CB -0.008 31.481 31.700 -0.352 0.000 0.788 379 E N -0.129 119.943 120.200 -0.213 0.000 2.265 379 E HA -0.090 4.260 4.350 0.000 0.000 0.196 379 E C 1.716 178.269 176.600 -0.078 0.000 0.996 379 E CA 1.144 57.474 56.400 -0.116 0.000 0.832 379 E CB -1.222 28.428 29.700 -0.083 0.000 0.756 379 E HN 0.121 nan 8.360 nan 0.000 0.491 380 V N 1.385 121.252 119.914 -0.079 0.000 2.535 380 V HA -0.123 3.997 4.120 0.000 0.000 0.246 380 V C 2.540 178.663 176.094 0.049 0.000 1.045 380 V CA 0.954 63.258 62.300 0.006 0.000 1.058 380 V CB -0.385 31.462 31.823 0.040 0.000 0.689 380 V HN 0.173 nan 8.190 nan 0.000 0.461 381 L N -0.169 121.058 121.223 0.007 0.000 2.156 381 L HA -0.103 4.237 4.340 0.000 0.000 0.208 381 L C 2.199 179.050 176.870 -0.032 0.000 1.095 381 L CA 1.341 56.211 54.840 0.050 0.000 0.770 381 L CB -0.468 41.594 42.059 0.004 0.000 0.914 381 L HN 0.333 nan 8.230 nan 0.000 0.439 382 D N 0.408 120.772 120.400 -0.061 0.000 2.269 382 D HA -0.156 4.484 4.640 0.000 0.000 0.208 382 D C 0.734 176.994 176.300 -0.066 0.000 0.963 382 D CA 0.506 54.464 54.000 -0.069 0.000 0.864 382 D CB 0.186 40.944 40.800 -0.070 0.000 0.936 382 D HN 0.206 nan 8.370 nan 0.000 0.505 383 E N -1.140 119.031 120.200 -0.048 0.000 2.791 383 E HA -0.263 4.087 4.350 0.000 0.000 0.271 383 E C 0.542 177.120 176.600 -0.037 0.000 1.044 383 E CA 0.284 56.661 56.400 -0.037 0.000 0.814 383 E CB -1.121 28.542 29.700 -0.061 0.000 1.400 383 E HN 0.436 nan 8.360 nan 0.000 0.423 384 Q N -0.142 119.633 119.800 -0.042 0.000 2.319 384 Q HA 0.240 4.580 4.340 0.000 0.000 0.202 384 Q C 0.872 176.848 176.000 -0.040 0.000 0.896 384 Q CA -0.120 55.659 55.803 -0.040 0.000 0.942 384 Q CB 0.480 29.191 28.738 -0.045 0.000 1.083 384 Q HN 0.452 nan 8.270 nan 0.000 0.510 385 I N 1.897 122.440 120.570 -0.045 0.000 2.692 385 I HA -0.006 4.164 4.170 0.000 0.000 0.284 385 I C -0.274 175.798 176.117 -0.075 0.000 1.159 385 I CA -0.141 61.119 61.300 -0.067 0.000 1.423 385 I CB 0.507 38.453 38.000 -0.090 0.000 1.380 385 I HN 0.051 nan 8.210 nan 0.000 0.580 386 R N 5.263 125.708 120.500 -0.092 0.000 2.308 386 R HA 0.131 4.471 4.340 0.000 0.000 0.325 386 R C 0.962 177.178 176.300 -0.140 0.000 1.161 386 R CA 0.034 56.086 56.100 -0.080 0.000 1.022 386 R CB -0.119 30.151 30.300 -0.050 0.000 1.091 386 R HN 0.707 nan 8.270 nan 0.000 0.497 387 T N -2.357 112.155 114.554 -0.070 0.000 3.163 387 T HA -0.096 4.254 4.350 0.000 0.000 0.260 387 T C 0.644 175.406 174.700 0.103 0.000 1.156 387 T CA 0.652 62.756 62.100 0.007 0.000 1.072 387 T CB -0.209 68.730 68.868 0.120 0.000 0.937 387 T HN 0.543 nan 8.240 nan 0.000 0.528 388 D N -0.335 120.084 120.400 0.032 0.000 2.463 388 D HA 0.259 4.899 4.640 0.000 0.000 0.224 388 D C -0.253 176.053 176.300 0.009 0.000 1.174 388 D CA -0.805 53.225 54.000 0.051 0.000 0.829 388 D CB -0.740 40.080 40.800 0.032 0.000 0.993 388 D HN 0.359 nan 8.370 nan 0.000 0.497 389 C N 0.337 119.615 119.300 -0.037 0.000 2.364 389 C HA 0.474 4.934 4.460 0.000 0.000 0.324 389 C C 1.009 175.943 174.990 -0.093 0.000 1.234 389 C CA -1.002 57.966 59.018 -0.083 0.000 1.417 389 C CB -0.705 26.977 27.740 -0.096 0.000 2.101 389 C HN 0.380 nan 8.230 nan 0.000 0.466 390 F N 3.381 123.193 119.950 -0.230 0.000 2.146 390 F HA -0.005 4.522 4.527 0.000 0.000 0.298 390 F C 2.089 177.726 175.800 -0.272 0.000 1.096 390 F CA 1.782 59.690 58.000 -0.154 0.000 1.275 390 F CB 0.081 38.908 39.000 -0.288 0.000 1.008 390 F HN 0.717 nan 8.300 nan 0.000 0.480 391 E N 0.272 120.193 120.200 -0.466 0.000 2.130 391 E HA -0.197 4.153 4.350 0.000 0.000 0.196 391 E C 2.387 178.259 176.600 -1.212 0.000 0.998 391 E CA 1.455 57.275 56.400 -0.968 0.000 0.806 391 E CB -0.638 28.461 29.700 -1.001 0.000 0.738 391 E HN 0.394 nan 8.360 nan 0.000 0.459 392 S N 0.596 115.902 115.700 -0.657 0.000 2.372 392 S HA -0.201 4.269 4.470 0.000 0.000 0.227 392 S C 1.906 176.315 174.600 -0.317 0.000 1.044 392 S CA 1.494 59.530 58.200 -0.273 0.000 1.050 392 S CB -0.513 62.487 63.200 -0.333 0.000 0.901 392 S HN 0.319 nan 8.310 nan 0.000 0.447 393 Y N 1.633 121.734 120.300 -0.332 0.000 2.293 393 Y HA 0.005 4.555 4.550 0.000 0.000 0.291 393 Y C 2.322 178.014 175.900 -0.348 0.000 1.137 393 Y CA 0.557 58.486 58.100 -0.285 0.000 1.202 393 Y CB -0.348 37.915 38.460 -0.329 0.000 0.990 393 Y HN 0.162 nan 8.280 nan 0.000 0.537 394 K N -0.995 119.076 120.400 -0.548 0.000 2.057 394 K HA -0.200 4.120 4.320 0.000 0.000 0.207 394 K C 1.770 178.315 176.600 -0.092 0.000 1.049 394 K CA 1.387 57.321 56.287 -0.590 0.000 0.931 394 K CB -0.358 31.562 32.500 -0.967 0.000 0.714 394 K HN 0.349 nan 8.250 nan 0.000 0.440 395 W N 1.012 122.290 121.300 -0.037 0.000 2.425 395 W HA -0.091 4.570 4.660 0.000 0.000 0.277 395 W C 2.332 178.944 176.519 0.155 0.000 1.231 395 W CA 1.562 58.946 57.345 0.066 0.000 1.248 395 W CB -1.086 28.390 29.460 0.028 0.000 1.117 395 W HN 0.252 nan 8.180 nan 0.000 0.568 396 T N -2.956 111.789 114.554 0.319 0.000 2.942 396 T HA -0.108 4.243 4.350 0.000 0.000 0.265 396 T C 1.314 176.246 174.700 0.387 0.000 1.062 396 T CA 1.332 63.623 62.100 0.319 0.000 1.139 396 T CB -0.273 68.730 68.868 0.226 0.000 0.883 396 T HN -0.193 nan 8.240 nan 0.000 0.468 397 D N 1.513 122.105 120.400 0.319 0.000 2.117 397 D HA -0.029 4.611 4.640 0.000 0.000 0.197 397 D C 2.091 178.547 176.300 0.260 0.000 0.987 397 D CA 0.713 54.888 54.000 0.290 0.000 0.829 397 D CB -0.203 40.775 40.800 0.297 0.000 0.961 397 D HN 0.320 nan 8.370 nan 0.000 0.460 398 I N 0.357 121.109 120.570 0.303 0.000 2.142 398 I HA -0.226 3.945 4.170 0.000 0.000 0.240 398 I C 2.425 178.800 176.117 0.430 0.000 1.078 398 I CA 0.753 62.217 61.300 0.273 0.000 1.343 398 I CB -1.265 36.909 38.000 0.291 0.000 1.046 398 I HN 0.307 nan 8.210 nan 0.000 0.405 399 W N 2.622 124.131 121.300 0.347 0.000 2.289 399 W HA -0.359 4.302 4.660 0.000 0.000 0.331 399 W C 2.598 179.427 176.519 0.516 0.000 1.283 399 W CA 2.973 60.589 57.345 0.452 0.000 1.252 399 W CB -0.506 29.165 29.460 0.352 0.000 1.153 399 W HN 0.189 nan 8.180 nan 0.000 0.467 400 A N -0.016 123.240 122.820 0.726 0.000 1.986 400 A HA -0.264 4.056 4.320 0.000 0.000 0.220 400 A C 1.942 179.902 177.584 0.626 0.000 1.171 400 A CA 1.828 54.288 52.037 0.705 0.000 0.640 400 A CB -1.558 17.867 19.000 0.709 0.000 0.811 400 A HN 0.475 nan 8.150 nan 0.000 0.451 401 F N 0.902 121.025 119.950 0.289 0.000 2.102 401 F HA -0.001 4.526 4.527 0.000 0.000 0.298 401 F C 2.370 178.296 175.800 0.209 0.000 1.105 401 F CA 1.563 59.650 58.000 0.146 0.000 1.239 401 F CB -0.669 38.209 39.000 -0.204 0.000 0.991 401 F HN 0.229 nan 8.300 nan 0.000 0.474 402 G N 0.839 109.844 108.800 0.343 0.000 2.469 402 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 402 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 402 G C 1.722 176.844 174.900 0.370 0.000 1.150 402 G CA 1.355 46.535 45.100 0.133 0.000 0.763 402 G HN 0.443 nan 8.290 nan 0.000 0.561 403 L N 0.084 121.585 121.223 0.464 0.000 2.093 403 L HA -0.065 4.275 4.340 0.000 0.000 0.208 403 L C 2.958 180.047 176.870 0.365 0.000 1.085 403 L CA 0.368 55.402 54.840 0.323 0.000 0.755 403 L CB -0.487 41.656 42.059 0.140 0.000 0.904 403 L HN 0.092 nan 8.230 nan 0.000 0.435 404 V N 0.002 120.107 119.914 0.319 0.000 2.427 404 V HA -0.256 3.864 4.120 0.000 0.000 0.248 404 V C 2.418 178.545 176.094 0.056 0.000 1.051 404 V CA 1.391 63.809 62.300 0.198 0.000 1.048 404 V CB -0.298 31.598 31.823 0.123 0.000 0.666 404 V HN 0.336 nan 8.190 nan 0.000 0.456 405 L N -1.512 119.675 121.223 -0.061 0.000 1.989 405 L HA -0.238 4.102 4.340 0.000 0.000 0.211 405 L C 2.334 179.236 176.870 0.054 0.000 1.071 405 L CA 2.411 57.208 54.840 -0.073 0.000 0.749 405 L CB -0.596 41.401 42.059 -0.102 0.000 0.890 405 L HN 0.522 nan 8.230 nan 0.000 0.431 406 W N 1.537 122.829 121.300 -0.015 0.000 2.302 406 W HA -0.295 4.365 4.660 0.000 0.000 0.320 406 W C 2.484 178.978 176.519 -0.042 0.000 1.241 406 W CA 2.262 59.610 57.345 0.006 0.000 1.264 406 W CB -0.178 29.337 29.460 0.092 0.000 1.154 406 W HN 0.137 nan 8.180 nan 0.000 0.483 407 E N -0.255 120.081 120.200 0.228 0.000 2.097 407 E HA -0.274 4.076 4.350 0.000 0.000 0.196 407 E C 2.104 178.654 176.600 -0.084 0.000 1.000 407 E CA 1.957 58.382 56.400 0.043 0.000 0.804 407 E CB -0.561 29.311 29.700 0.285 0.000 0.740 407 E HN 0.416 nan 8.360 nan 0.000 0.454 408 I N 0.976 121.523 120.570 -0.038 0.000 2.202 408 I HA -0.240 3.930 4.170 0.000 0.000 0.242 408 I C 2.608 178.647 176.117 -0.130 0.000 1.091 408 I CA 0.848 62.116 61.300 -0.053 0.000 1.368 408 I CB -0.358 37.621 38.000 -0.035 0.000 1.058 408 I HN 0.075 nan 8.210 nan 0.000 0.410 409 A N 1.004 123.716 122.820 -0.179 0.000 1.883 409 A HA -0.281 4.039 4.320 0.000 0.000 0.217 409 A C 2.427 179.825 177.584 -0.309 0.000 1.186 409 A CA 2.059 53.966 52.037 -0.216 0.000 0.624 409 A CB -0.777 18.096 19.000 -0.211 0.000 0.822 409 A HN 0.376 nan 8.150 nan 0.000 0.444 410 R N -1.098 119.086 120.500 -0.526 0.000 2.139 410 R HA -0.157 4.183 4.340 0.000 0.000 0.243 410 R C 1.891 177.982 176.300 -0.348 0.000 1.145 410 R CA 1.882 57.630 56.100 -0.586 0.000 0.976 410 R CB -0.130 29.581 30.300 -0.981 0.000 0.866 410 R HN 0.308 nan 8.270 nan 0.000 0.449 411 R N 0.011 120.356 120.500 -0.260 0.000 2.359 411 R HA 0.129 4.469 4.340 0.000 0.000 0.231 411 R C -0.638 175.585 176.300 -0.128 0.000 0.913 411 R CA 0.284 56.285 56.100 -0.165 0.000 1.075 411 R CB 0.394 30.630 30.300 -0.106 0.000 1.087 411 R HN 0.080 nan 8.270 nan 0.000 0.515 412 T N 0.791 115.268 114.554 -0.129 0.000 2.889 412 T HA 0.346 4.696 4.350 0.000 0.000 0.291 412 T C 0.353 175.002 174.700 -0.085 0.000 0.995 412 T CA -0.370 61.676 62.100 -0.091 0.000 1.092 412 T CB 1.295 70.113 68.868 -0.083 0.000 0.954 412 T HN 0.039 nan 8.240 nan 0.000 0.506 413 I N 2.737 123.270 120.570 -0.063 0.000 2.301 413 I HA 0.323 4.494 4.170 0.000 0.000 0.292 413 I C -0.397 175.694 176.117 -0.044 0.000 1.046 413 I CA -0.690 60.577 61.300 -0.055 0.000 1.282 413 I CB 0.571 38.544 38.000 -0.045 0.000 1.409 413 I HN 0.199 nan 8.210 nan 0.000 0.484 414 V N 6.251 126.137 119.914 -0.046 0.000 2.409 414 V HA 0.245 4.365 4.120 0.000 0.000 0.291 414 V C 0.476 176.551 176.094 -0.032 0.000 1.020 414 V CA -0.400 61.879 62.300 -0.035 0.000 0.848 414 V CB 1.146 32.948 31.823 -0.036 0.000 0.990 414 V HN 0.978 nan 8.190 nan 0.000 0.430 415 N N 3.665 122.350 118.700 -0.025 0.000 2.857 415 N HA -0.251 4.489 4.740 0.000 0.000 0.242 415 N C 1.093 176.588 175.510 -0.025 0.000 0.983 415 N CA 1.514 54.550 53.050 -0.023 0.000 0.934 415 N CB -0.903 37.572 38.487 -0.021 0.000 1.115 415 N HN 1.374 nan 8.380 nan 0.000 0.593 416 G N -1.018 107.764 108.800 -0.031 0.000 2.195 416 G HA2 -0.266 3.694 3.960 0.000 0.000 0.224 416 G HA3 -0.266 3.694 3.960 0.000 0.000 0.224 416 G C 0.032 174.909 174.900 -0.039 0.000 0.990 416 G CA 0.054 45.134 45.100 -0.034 0.000 0.639 416 G HN 0.379 nan 8.290 nan 0.000 0.514 417 I N 1.418 121.964 120.570 -0.040 0.000 2.363 417 I HA 0.529 4.699 4.170 0.000 0.000 0.292 417 I C 0.089 176.170 176.117 -0.061 0.000 1.075 417 I CA -0.418 60.855 61.300 -0.046 0.000 1.333 417 I CB 1.295 39.271 38.000 -0.041 0.000 1.415 417 I HN -0.022 nan 8.210 nan 0.000 0.502 418 V N 6.900 126.773 119.914 -0.068 0.000 2.808 418 V HA 0.354 4.475 4.120 0.000 0.000 0.308 418 V C -0.328 175.710 176.094 -0.093 0.000 1.099 418 V CA -0.498 61.748 62.300 -0.090 0.000 0.920 418 V CB 2.607 34.376 31.823 -0.090 0.000 1.014 418 V HN 0.618 nan 8.190 nan 0.000 0.425 419 E N 2.648 122.775 120.200 -0.123 0.000 2.319 419 E HA 0.302 4.652 4.350 0.000 0.000 0.268 419 E C -1.036 175.486 176.600 -0.130 0.000 1.050 419 E CA -0.566 55.758 56.400 -0.125 0.000 0.878 419 E CB 1.189 30.788 29.700 -0.169 0.000 1.066 419 E HN 0.678 nan 8.360 nan 0.000 0.406 420 D N 0.880 121.219 120.400 -0.102 0.000 2.362 420 D HA -0.028 4.612 4.640 0.000 0.000 0.242 420 D C -0.143 176.088 176.300 -0.114 0.000 1.132 420 D CA 0.163 54.115 54.000 -0.079 0.000 0.907 420 D CB 0.171 40.945 40.800 -0.043 0.000 1.195 420 D HN 0.320 nan 8.370 nan 0.000 0.429 421 Y N 0.686 120.875 120.300 -0.184 0.000 2.620 421 Y HA 0.252 4.802 4.550 0.000 0.000 0.330 421 Y C 0.466 176.250 175.900 -0.193 0.000 1.186 421 Y CA 0.330 58.298 58.100 -0.218 0.000 1.467 421 Y CB 0.151 38.469 38.460 -0.237 0.000 1.262 421 Y HN 0.414 nan 8.280 nan 0.000 0.550 422 R N 6.584 126.440 120.500 -1.072 0.000 2.725 422 R HA 0.612 4.952 4.340 0.000 0.000 0.277 422 R C -3.243 172.497 176.300 -0.934 0.000 0.987 422 R CA -1.785 53.806 56.100 -0.849 0.000 0.901 422 R CB 0.514 30.299 30.300 -0.860 0.000 1.207 422 R HN 0.599 nan 8.270 nan 0.000 0.463 423 P HA 0.335 nan 4.420 nan 0.000 0.274 423 P C -2.695 174.619 177.300 0.023 0.000 1.246 423 P CA -1.693 61.412 63.100 0.008 0.000 0.795 423 P CB 0.230 32.079 31.700 0.249 0.000 1.006 424 P HA 0.040 nan 4.420 nan 0.000 0.266 424 P C -0.228 176.927 177.300 -0.242 0.000 1.195 424 P CA 0.473 63.230 63.100 -0.571 0.000 0.768 424 P CB -0.358 30.964 31.700 -0.630 0.000 0.838 425 F N -0.415 119.356 119.950 -0.297 0.000 3.006 425 F HA -0.284 4.243 4.527 0.000 0.000 0.289 425 F C 1.519 177.283 175.800 -0.060 0.000 0.772 425 F CA 0.830 58.713 58.000 -0.196 0.000 1.162 425 F CB -3.111 35.763 39.000 -0.211 0.000 1.382 425 F HN 0.466 nan 8.300 nan 0.000 0.406 426 Y N 0.179 120.457 120.300 -0.036 0.000 2.283 426 Y HA -0.244 4.306 4.550 0.000 0.000 0.285 426 Y C 2.045 177.961 175.900 0.027 0.000 1.176 426 Y CA 1.324 59.437 58.100 0.021 0.000 1.229 426 Y CB -0.544 37.935 38.460 0.031 0.000 0.975 426 Y HN 0.350 nan 8.280 nan 0.000 0.537 427 D N 0.717 120.729 120.400 -0.647 0.000 2.354 427 D HA -0.002 4.638 4.640 0.000 0.000 0.209 427 D C 1.480 177.649 176.300 -0.219 0.000 1.015 427 D CA 1.061 54.758 54.000 -0.505 0.000 0.867 427 D CB 0.049 40.421 40.800 -0.713 0.000 0.933 427 D HN 0.460 nan 8.370 nan 0.000 0.520 428 V N -0.040 119.798 119.914 -0.126 0.000 3.548 428 V HA 0.385 4.505 4.120 0.000 0.000 0.279 428 V C 0.825 176.898 176.094 -0.035 0.000 1.446 428 V CA 0.832 63.097 62.300 -0.057 0.000 1.023 428 V CB 0.599 32.412 31.823 -0.017 0.000 0.820 428 V HN 0.129 nan 8.190 nan 0.000 0.438 429 V N -2.977 116.931 119.914 -0.011 0.000 3.007 429 V HA 0.870 4.990 4.120 0.000 0.000 0.311 429 V C -2.961 173.146 176.094 0.021 0.000 1.120 429 V CA -2.201 60.094 62.300 -0.009 0.000 0.980 429 V CB 1.794 33.596 31.823 -0.035 0.000 1.033 429 V HN 0.142 nan 8.190 nan 0.000 0.429 430 P HA 0.261 nan 4.420 nan 0.000 0.274 430 P C -0.259 177.076 177.300 0.058 0.000 1.260 430 P CA -0.244 62.878 63.100 0.037 0.000 0.793 430 P CB 0.388 32.105 31.700 0.027 0.000 1.048 431 N N 0.236 118.978 118.700 0.070 0.000 2.441 431 N HA 0.014 4.754 4.740 0.000 0.000 0.225 431 N C -0.114 175.444 175.510 0.079 0.000 1.208 431 N CA 0.599 53.705 53.050 0.093 0.000 0.847 431 N CB -0.671 37.878 38.487 0.103 0.000 1.121 431 N HN 0.494 nan 8.380 nan 0.000 0.479 432 D N -0.324 120.112 120.400 0.060 0.000 4.099 432 D HA 0.054 4.694 4.640 0.000 0.000 0.262 432 D C -2.683 173.635 176.300 0.030 0.000 1.445 432 D CA -0.783 53.245 54.000 0.047 0.000 0.779 432 D CB 0.472 41.297 40.800 0.041 0.000 1.348 432 D HN -0.038 nan 8.370 nan 0.000 0.803 433 P HA 0.112 nan 4.420 nan 0.000 0.263 433 P C 0.347 177.643 177.300 -0.007 0.000 1.195 433 P CA 0.019 63.120 63.100 0.001 0.000 0.762 433 P CB 0.982 32.669 31.700 -0.021 0.000 0.799 434 S N 2.707 118.413 115.700 0.010 0.000 2.608 434 S HA 0.127 4.597 4.470 0.000 0.000 0.261 434 S C 1.185 175.821 174.600 0.060 0.000 1.314 434 S CA -0.471 57.750 58.200 0.035 0.000 0.992 434 S CB 0.007 63.245 63.200 0.063 0.000 0.935 434 S HN 0.379 nan 8.310 nan 0.000 0.564 435 F N 1.522 121.466 119.950 -0.009 0.000 2.032 435 F HA -0.230 4.297 4.527 0.000 0.000 0.297 435 F C 3.191 178.966 175.800 -0.042 0.000 1.125 435 F CA 2.621 60.609 58.000 -0.020 0.000 1.202 435 F CB -0.971 38.023 39.000 -0.011 0.000 0.958 435 F HN 0.888 nan 8.300 nan 0.000 0.491 436 E N -0.139 120.188 120.200 0.212 0.000 2.110 436 E HA -0.235 4.115 4.350 0.000 0.000 0.193 436 E C 1.631 178.248 176.600 0.029 0.000 0.988 436 E CA 1.654 58.101 56.400 0.078 0.000 0.804 436 E CB -0.994 28.732 29.700 0.044 0.000 0.745 436 E HN 0.470 nan 8.360 nan 0.000 0.458 437 D N -0.098 120.315 120.400 0.021 0.000 2.104 437 D HA -0.144 4.496 4.640 0.000 0.000 0.194 437 D C 2.010 178.268 176.300 -0.070 0.000 0.994 437 D CA 1.573 55.559 54.000 -0.023 0.000 0.830 437 D CB -0.135 40.652 40.800 -0.022 0.000 0.959 437 D HN 0.318 nan 8.370 nan 0.000 0.452 438 M N 0.359 119.917 119.600 -0.071 0.000 2.156 438 M HA -0.059 4.421 4.480 0.000 0.000 0.264 438 M C 2.135 178.359 176.300 -0.126 0.000 1.067 438 M CA 0.856 56.062 55.300 -0.157 0.000 1.131 438 M CB -0.839 31.678 32.600 -0.137 0.000 1.368 438 M HN -0.056 nan 8.290 nan 0.000 0.416 439 K N 0.827 121.206 120.400 -0.035 0.000 2.044 439 K HA -0.231 4.089 4.320 0.000 0.000 0.210 439 K C 2.131 178.691 176.600 -0.067 0.000 1.049 439 K CA 1.821 58.083 56.287 -0.041 0.000 0.927 439 K CB -0.056 32.434 32.500 -0.017 0.000 0.713 439 K HN 0.205 nan 8.250 nan 0.000 0.443 440 K N 0.043 120.406 120.400 -0.061 0.000 2.026 440 K HA -0.124 4.197 4.320 0.000 0.000 0.208 440 K C 1.854 178.408 176.600 -0.076 0.000 1.048 440 K CA 1.603 57.855 56.287 -0.059 0.000 0.929 440 K CB -0.015 32.457 32.500 -0.047 0.000 0.713 440 K HN 0.030 nan 8.250 nan 0.000 0.439 441 V N 0.577 120.421 119.914 -0.116 0.000 2.323 441 V HA -0.177 3.943 4.120 0.000 0.000 0.244 441 V C 2.252 178.265 176.094 -0.135 0.000 1.041 441 V CA 1.415 63.632 62.300 -0.138 0.000 1.025 441 V CB 0.164 31.849 31.823 -0.231 0.000 0.656 441 V HN 0.194 nan 8.190 nan 0.000 0.451 442 V N -1.603 118.198 119.914 -0.189 0.000 2.535 442 V HA -0.140 3.980 4.120 0.000 0.000 0.246 442 V C 2.208 178.260 176.094 -0.071 0.000 1.045 442 V CA 1.788 64.011 62.300 -0.128 0.000 1.058 442 V CB 0.018 31.722 31.823 -0.199 0.000 0.689 442 V HN 0.613 nan 8.190 nan 0.000 0.461 443 C N -0.938 118.312 119.300 -0.083 0.000 2.587 443 C HA 0.320 4.780 4.460 0.000 0.000 0.287 443 C C 2.704 177.670 174.990 -0.040 0.000 1.374 443 C CA 0.568 59.547 59.018 -0.064 0.000 1.770 443 C CB -0.481 27.215 27.740 -0.074 0.000 2.137 443 C HN 0.428 nan 8.230 nan 0.000 0.550 444 V N 1.191 121.079 119.914 -0.042 0.000 2.270 444 V HA -0.163 3.957 4.120 0.000 0.000 0.245 444 V C 1.836 177.917 176.094 -0.021 0.000 1.043 444 V CA 2.936 65.218 62.300 -0.031 0.000 1.014 444 V CB -0.724 31.079 31.823 -0.033 0.000 0.645 444 V HN 0.342 nan 8.190 nan 0.000 0.447 445 D N -1.202 119.184 120.400 -0.023 0.000 2.347 445 D HA 0.111 4.751 4.640 0.000 0.000 0.213 445 D C 1.265 177.568 176.300 0.005 0.000 0.985 445 D CA 0.869 54.862 54.000 -0.012 0.000 0.879 445 D CB 0.263 41.052 40.800 -0.019 0.000 0.919 445 D HN 0.728 nan 8.370 nan 0.000 0.526 446 Q N 0.341 120.147 119.800 0.010 0.000 2.475 446 Q HA -0.244 4.096 4.340 0.000 0.000 0.280 446 Q C -0.826 175.211 176.000 0.063 0.000 1.234 446 Q CA 0.512 56.340 55.803 0.041 0.000 0.873 446 Q CB -1.582 27.182 28.738 0.042 0.000 1.256 446 Q HN 0.370 nan 8.270 nan 0.000 0.475 447 Q N 0.322 120.159 119.800 0.062 0.000 2.299 447 Q HA 0.500 4.840 4.340 0.000 0.000 0.246 447 Q C 0.098 176.177 176.000 0.131 0.000 0.935 447 Q CA 0.568 56.420 55.803 0.081 0.000 0.887 447 Q CB 1.368 30.159 28.738 0.088 0.000 1.223 447 Q HN 0.469 nan 8.270 nan 0.000 0.439 448 T N -1.449 113.088 114.554 -0.029 0.000 2.901 448 T HA 0.573 4.923 4.350 0.000 0.000 0.293 448 T C -2.669 171.667 174.700 -0.607 0.000 1.084 448 T CA -2.305 59.571 62.100 -0.373 0.000 1.008 448 T CB 1.280 69.904 68.868 -0.406 0.000 1.170 448 T HN 0.229 nan 8.240 nan 0.000 0.509 449 P HA 0.201 nan 4.420 nan 0.000 0.268 449 P C -0.010 177.064 177.300 -0.377 0.000 1.204 449 P CA -0.081 62.371 63.100 -1.080 0.000 0.768 449 P CB 0.154 30.742 31.700 -1.852 0.000 0.842 450 T N 3.615 118.102 114.554 -0.112 0.000 2.817 450 T HA 0.153 4.503 4.350 0.000 0.000 0.295 450 T C 0.320 175.265 174.700 0.409 0.000 0.958 450 T CA -0.231 61.955 62.100 0.144 0.000 1.157 450 T CB -0.676 68.273 68.868 0.135 0.000 0.898 450 T HN 0.081 nan 8.240 nan 0.000 0.536 451 I N 9.422 130.183 120.570 0.319 0.000 2.556 451 I HA 0.238 4.408 4.170 0.000 0.000 0.284 451 I C -1.496 174.715 176.117 0.157 0.000 1.114 451 I CA -1.869 59.604 61.300 0.289 0.000 1.418 451 I CB 0.656 38.758 38.000 0.168 0.000 1.394 451 I HN 0.513 nan 8.210 nan 0.000 0.552 452 P HA 0.135 nan 4.420 nan 0.000 0.269 452 P C 0.582 177.883 177.300 0.001 0.000 1.252 452 P CA 0.079 63.183 63.100 0.007 0.000 0.780 452 P CB 0.127 31.770 31.700 -0.094 0.000 0.829 453 N N 4.160 122.869 118.700 0.015 0.000 2.258 453 N HA -0.248 4.492 4.740 0.000 0.000 0.187 453 N C 1.848 177.355 175.510 -0.005 0.000 1.012 453 N CA 1.541 54.597 53.050 0.010 0.000 0.870 453 N CB -0.732 37.763 38.487 0.014 0.000 0.977 453 N HN 0.496 nan 8.380 nan 0.000 0.434 454 R N 0.270 120.760 120.500 -0.016 0.000 2.165 454 R HA -0.181 4.159 4.340 0.000 0.000 0.254 454 R C 1.947 178.231 176.300 -0.027 0.000 1.153 454 R CA 1.871 57.955 56.100 -0.026 0.000 0.971 454 R CB -0.697 29.577 30.300 -0.042 0.000 0.878 454 R HN 0.581 nan 8.270 nan 0.000 0.449 455 L N 0.451 121.655 121.223 -0.031 0.000 2.189 455 L HA -0.184 4.156 4.340 0.000 0.000 0.214 455 L C 2.706 179.563 176.870 -0.022 0.000 1.097 455 L CA 1.243 56.064 54.840 -0.032 0.000 0.764 455 L CB -0.640 41.398 42.059 -0.034 0.000 0.900 455 L HN 0.377 nan 8.230 nan 0.000 0.436 456 A N -0.274 122.537 122.820 -0.015 0.000 2.139 456 A HA -0.141 4.179 4.320 0.000 0.000 0.221 456 A C 2.350 179.927 177.584 -0.011 0.000 1.159 456 A CA 1.927 53.958 52.037 -0.011 0.000 0.662 456 A CB -0.383 18.614 19.000 -0.006 0.000 0.796 456 A HN 0.477 nan 8.150 nan 0.000 0.463 457 A N -0.982 121.830 122.820 -0.013 0.000 1.970 457 A HA 0.439 4.759 4.320 0.000 0.000 0.204 457 A C 1.210 178.787 177.584 -0.012 0.000 1.325 457 A CA 1.030 53.060 52.037 -0.011 0.000 0.767 457 A CB -0.834 18.159 19.000 -0.011 0.000 0.949 457 A HN 0.609 nan 8.150 nan 0.000 0.481 458 D N 0.919 121.310 120.400 -0.015 0.000 2.423 458 D HA 0.347 4.987 4.640 0.000 0.000 0.238 458 D C -1.157 175.137 176.300 -0.011 0.000 1.142 458 D CA -0.568 53.424 54.000 -0.014 0.000 0.884 458 D CB -0.221 40.568 40.800 -0.019 0.000 1.199 458 D HN 0.249 nan 8.370 nan 0.000 0.438 459 P HA 0.040 nan 4.420 nan 0.000 0.216 459 P C 0.830 178.128 177.300 -0.004 0.000 1.153 459 P CA 1.448 64.546 63.100 -0.003 0.000 0.844 459 P CB 0.077 31.779 31.700 0.003 0.000 0.787 460 V N -0.031 119.880 119.914 -0.005 0.000 2.802 460 V HA 0.307 4.428 4.120 0.000 0.000 0.350 460 V C 1.183 177.266 176.094 -0.018 0.000 1.233 460 V CA 0.114 62.408 62.300 -0.010 0.000 1.337 460 V CB -0.741 31.077 31.823 -0.009 0.000 1.497 460 V HN -0.098 nan 8.190 nan 0.000 0.616 461 L N -0.583 120.628 121.223 -0.020 0.000 3.086 461 L HA 0.164 4.504 4.340 0.000 0.000 0.274 461 L C 2.073 178.926 176.870 -0.029 0.000 1.184 461 L CA 0.990 55.814 54.840 -0.028 0.000 1.002 461 L CB 0.917 42.957 42.059 -0.031 0.000 1.383 461 L HN 0.413 nan 8.230 nan 0.000 0.582 462 S N 0.406 116.092 115.700 -0.022 0.000 2.436 462 S HA -0.020 4.450 4.470 0.000 0.000 0.228 462 S C 1.871 176.455 174.600 -0.027 0.000 1.014 462 S CA 1.277 59.463 58.200 -0.022 0.000 0.950 462 S CB 0.045 63.236 63.200 -0.015 0.000 0.784 462 S HN 0.476 nan 8.310 nan 0.000 0.504 463 G N 2.245 111.030 108.800 -0.025 0.000 2.575 463 G HA2 -0.091 3.869 3.960 0.000 0.000 0.215 463 G HA3 -0.091 3.869 3.960 0.000 0.000 0.215 463 G C 1.317 176.192 174.900 -0.041 0.000 1.262 463 G CA 0.934 46.018 45.100 -0.027 0.000 0.807 463 G HN 0.491 nan 8.290 nan 0.000 0.567 464 L N 0.993 122.192 121.223 -0.040 0.000 2.051 464 L HA -0.191 4.149 4.340 0.000 0.000 0.214 464 L C 3.433 180.251 176.870 -0.086 0.000 1.076 464 L CA 1.308 56.118 54.840 -0.050 0.000 0.758 464 L CB -0.665 41.367 42.059 -0.046 0.000 0.890 464 L HN 0.336 nan 8.230 nan 0.000 0.433 465 A N -0.339 122.435 122.820 -0.078 0.000 1.883 465 A HA -0.291 4.029 4.320 0.000 0.000 0.217 465 A C 2.249 179.751 177.584 -0.136 0.000 1.186 465 A CA 2.019 54.001 52.037 -0.093 0.000 0.624 465 A CB -0.545 18.424 19.000 -0.052 0.000 0.822 465 A HN 0.411 nan 8.150 nan 0.000 0.444 466 Q N -0.635 119.104 119.800 -0.102 0.000 2.079 466 Q HA -0.034 4.306 4.340 0.000 0.000 0.200 466 Q C 1.993 177.904 176.000 -0.147 0.000 0.974 466 Q CA 1.959 57.698 55.803 -0.106 0.000 0.840 466 Q CB -0.397 28.305 28.738 -0.059 0.000 0.898 466 Q HN 0.669 nan 8.270 nan 0.000 0.430 467 M N -1.045 118.477 119.600 -0.130 0.000 2.175 467 M HA -0.152 4.328 4.480 0.000 0.000 0.264 467 M C 2.079 178.217 176.300 -0.270 0.000 1.063 467 M CA 1.342 56.562 55.300 -0.133 0.000 1.119 467 M CB -0.120 32.447 32.600 -0.054 0.000 1.377 467 M HN 0.326 nan 8.290 nan 0.000 0.415 468 M N -0.568 118.800 119.600 -0.387 0.000 2.073 468 M HA -0.283 4.197 4.480 0.000 0.000 0.258 468 M C 2.130 177.713 176.300 -1.195 0.000 1.070 468 M CA 1.976 56.772 55.300 -0.841 0.000 1.103 468 M CB -0.382 31.753 32.600 -0.775 0.000 1.321 468 M HN 0.160 nan 8.290 nan 0.000 0.405 469 R N -0.011 120.068 120.500 -0.702 0.000 2.096 469 R HA -0.164 4.176 4.340 0.000 0.000 0.240 469 R C 1.699 177.722 176.300 -0.461 0.000 1.139 469 R CA 1.599 57.399 56.100 -0.500 0.000 0.952 469 R CB -0.403 29.721 30.300 -0.293 0.000 0.854 469 R HN 0.506 nan 8.270 nan 0.000 0.436 470 E N -0.490 119.514 120.200 -0.328 0.000 2.502 470 E HA -0.044 4.307 4.350 0.000 0.000 0.194 470 E C 1.166 177.742 176.600 -0.041 0.000 1.062 470 E CA 0.141 56.461 56.400 -0.133 0.000 0.867 470 E CB 0.207 29.900 29.700 -0.012 0.000 0.888 470 E HN 0.370 nan 8.360 nan 0.000 0.510 471 C N -0.031 119.154 119.300 -0.192 0.000 2.563 471 C HA 0.034 4.495 4.460 0.000 0.000 0.268 471 C C 1.137 176.254 174.990 0.212 0.000 1.365 471 C CA -0.359 58.637 59.018 -0.037 0.000 1.754 471 C CB -0.584 27.053 27.740 -0.171 0.000 1.932 471 C HN 0.590 nan 8.230 nan 0.000 0.536 472 W N -1.077 120.212 121.300 -0.019 0.000 3.123 472 W HA 0.382 5.042 4.660 0.000 0.000 0.383 472 W C 0.154 176.806 176.519 0.221 0.000 1.102 472 W CA -1.416 55.943 57.345 0.024 0.000 1.865 472 W CB -1.361 27.921 29.460 -0.298 0.000 1.111 472 W HN 0.217 nan 8.180 nan 0.000 0.621 473 Y N 3.031 123.529 120.300 0.330 0.000 2.717 473 Y HA 0.006 4.556 4.550 0.000 0.000 0.330 473 Y C -0.833 175.194 175.900 0.211 0.000 1.217 473 Y CA -1.155 57.069 58.100 0.206 0.000 1.506 473 Y CB -0.048 38.459 38.460 0.080 0.000 1.268 473 Y HN -0.158 nan 8.280 nan 0.000 0.561 474 P HA -0.182 nan 4.420 nan 0.000 0.216 474 P C 0.123 177.467 177.300 0.073 0.000 1.150 474 P CA 1.359 64.574 63.100 0.192 0.000 0.837 474 P CB 0.199 31.987 31.700 0.147 0.000 0.786 475 N N -0.246 118.474 118.700 0.034 0.000 2.402 475 N HA 0.053 4.793 4.740 0.000 0.000 0.252 475 N C -1.708 173.686 175.510 -0.193 0.000 1.118 475 N CA -1.988 51.004 53.050 -0.097 0.000 0.945 475 N CB 0.330 38.733 38.487 -0.140 0.000 1.147 475 N HN -0.092 nan 8.380 nan 0.000 0.495 476 P HA -0.156 nan 4.420 nan 0.000 0.217 476 P C 0.947 177.508 177.300 -1.232 0.000 1.151 476 P CA 1.435 64.245 63.100 -0.483 0.000 0.849 476 P CB 0.138 31.654 31.700 -0.306 0.000 0.787 477 S N -1.149 113.784 115.700 -1.278 0.000 2.515 477 S HA 0.081 4.551 4.470 0.000 0.000 0.231 477 S C 1.907 176.173 174.600 -0.557 0.000 0.987 477 S CA 0.720 58.139 58.200 -1.302 0.000 0.936 477 S CB -0.962 61.792 63.200 -0.742 0.000 0.766 477 S HN 0.125 nan 8.310 nan 0.000 0.528 478 A N 1.359 123.933 122.820 -0.411 0.000 2.169 478 A HA 0.217 4.538 4.320 0.000 0.000 0.212 478 A C 1.202 178.743 177.584 -0.071 0.000 1.153 478 A CA -0.162 51.727 52.037 -0.248 0.000 0.756 478 A CB -0.169 18.604 19.000 -0.379 0.000 0.813 478 A HN 0.464 nan 8.150 nan 0.000 0.471 479 R N -0.465 119.988 120.500 -0.078 0.000 2.582 479 R HA 0.467 4.807 4.340 0.000 0.000 0.271 479 R C -0.420 175.959 176.300 0.131 0.000 1.078 479 R CA -0.525 55.634 56.100 0.098 0.000 1.127 479 R CB 0.499 30.880 30.300 0.135 0.000 1.038 479 R HN 0.306 nan 8.270 nan 0.000 0.500 480 L N 1.405 122.705 121.223 0.129 0.000 2.483 480 L HA 0.055 4.395 4.340 0.000 0.000 0.275 480 L C 1.112 178.063 176.870 0.136 0.000 1.220 480 L CA 0.070 54.970 54.840 0.100 0.000 0.833 480 L CB 0.424 42.504 42.059 0.036 0.000 1.102 480 L HN 0.778 nan 8.230 nan 0.000 0.490 481 T N -0.970 113.652 114.554 0.114 0.000 2.847 481 T HA 0.378 4.728 4.350 0.000 0.000 0.279 481 T C 1.031 175.716 174.700 -0.024 0.000 0.984 481 T CA -0.235 61.928 62.100 0.105 0.000 0.988 481 T CB 1.553 70.485 68.868 0.106 0.000 1.040 481 T HN 0.637 nan 8.240 nan 0.000 0.528 482 A N 0.744 123.516 122.820 -0.080 0.000 1.930 482 A HA 0.049 4.369 4.320 0.000 0.000 0.217 482 A C 2.186 179.654 177.584 -0.194 0.000 1.175 482 A CA 1.473 53.339 52.037 -0.286 0.000 0.627 482 A CB -1.076 17.634 19.000 -0.482 0.000 0.815 482 A HN 0.914 nan 8.150 nan 0.000 0.443 483 L N -0.734 120.439 121.223 -0.084 0.000 2.012 483 L HA -0.180 4.160 4.340 0.000 0.000 0.210 483 L C 2.472 179.318 176.870 -0.040 0.000 1.073 483 L CA 2.350 57.164 54.840 -0.044 0.000 0.748 483 L CB -0.295 41.765 42.059 0.002 0.000 0.891 483 L HN 0.302 nan 8.230 nan 0.000 0.431 484 R N -0.061 120.422 120.500 -0.027 0.000 2.092 484 R HA -0.059 4.281 4.340 0.000 0.000 0.231 484 R C 2.068 178.343 176.300 -0.041 0.000 1.119 484 R CA 1.788 57.879 56.100 -0.016 0.000 0.970 484 R CB -0.646 29.659 30.300 0.008 0.000 0.864 484 R HN 0.528 nan 8.270 nan 0.000 0.440 485 I N 0.376 120.893 120.570 -0.088 0.000 2.163 485 I HA -0.302 3.868 4.170 0.000 0.000 0.240 485 I C 2.409 178.475 176.117 -0.086 0.000 1.081 485 I CA 1.480 62.713 61.300 -0.112 0.000 1.353 485 I CB -0.420 37.428 38.000 -0.253 0.000 1.054 485 I HN 0.210 nan 8.210 nan 0.000 0.407 486 K N 1.725 122.059 120.400 -0.110 0.000 2.032 486 K HA -0.292 4.028 4.320 0.000 0.000 0.218 486 K C 2.133 178.719 176.600 -0.023 0.000 1.054 486 K CA 2.077 58.329 56.287 -0.058 0.000 0.941 486 K CB -0.117 32.349 32.500 -0.055 0.000 0.720 486 K HN 0.205 nan 8.250 nan 0.000 0.449 487 K N -0.314 120.074 120.400 -0.020 0.000 2.032 487 K HA -0.108 4.212 4.320 0.000 0.000 0.209 487 K C 2.208 178.806 176.600 -0.004 0.000 1.048 487 K CA 2.084 58.368 56.287 -0.005 0.000 0.927 487 K CB -0.251 32.248 32.500 -0.000 0.000 0.712 487 K HN 0.275 nan 8.250 nan 0.000 0.441 488 T N 2.041 116.590 114.554 -0.009 0.000 2.759 488 T HA -0.127 4.223 4.350 0.000 0.000 0.269 488 T C 1.855 176.553 174.700 -0.004 0.000 1.042 488 T CA 1.072 63.169 62.100 -0.006 0.000 1.140 488 T CB -0.188 68.675 68.868 -0.009 0.000 0.864 488 T HN 0.092 nan 8.240 nan 0.000 0.455 489 L N 0.272 121.494 121.223 -0.002 0.000 1.948 489 L HA -0.062 4.279 4.340 0.000 0.000 0.212 489 L C 1.859 178.728 176.870 -0.002 0.000 1.074 489 L CA 1.228 56.069 54.840 0.002 0.000 0.753 489 L CB -0.604 41.464 42.059 0.015 0.000 0.888 489 L HN 0.313 nan 8.230 nan 0.000 0.432 490 Q N 0.000 119.800 119.800 0.000 0.000 2.315 490 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 490 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 490 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 490 Q HN 0.000 nan 8.270 nan 0.000 0.481