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_C 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 QKI 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 0.000 176.300 176.300 0.000 0.000 1.140 0 M CA 0.000 55.342 55.300 0.069 0.000 0.988 0 M CB 0.000 32.678 32.600 0.130 0.000 1.302 196 R N 1.035 121.503 120.500 -0.054 0.000 2.193 196 R HA 0.031 4.372 4.340 0.000 0.000 0.229 196 R C 2.228 178.485 176.300 -0.071 0.000 1.110 196 R CA 2.439 58.507 56.100 -0.054 0.000 0.988 196 R CB -1.251 29.035 30.300 -0.024 0.000 0.871 196 R HN 0.692 nan 8.270 nan 0.000 0.458 197 T N -0.390 114.131 114.554 -0.055 0.000 3.057 197 T HA 0.096 4.446 4.350 0.000 0.000 0.254 197 T C 1.999 176.620 174.700 -0.132 0.000 1.094 197 T CA 0.826 62.912 62.100 -0.023 0.000 1.088 197 T CB 0.277 69.198 68.868 0.089 0.000 0.934 197 T HN 0.230 nan 8.240 nan 0.000 0.497 198 V N 2.229 121.916 119.914 -0.379 0.000 2.221 198 V HA -0.138 3.982 4.120 0.000 0.000 0.240 198 V C 2.959 178.717 176.094 -0.560 0.000 1.041 198 V CA 1.818 63.533 62.300 -0.975 0.000 0.991 198 V CB -1.468 29.703 31.823 -1.087 0.000 0.634 198 V HN 0.478 nan 8.190 nan 0.000 0.450 199 A N 0.321 122.958 122.820 -0.306 0.000 1.929 199 A HA -0.371 3.949 4.320 0.000 0.000 0.221 199 A C 2.452 179.971 177.584 -0.107 0.000 1.211 199 A CA 3.874 55.848 52.037 -0.104 0.000 0.657 199 A CB -0.946 17.994 19.000 -0.101 0.000 0.827 199 A HN 0.608 nan 8.150 nan 0.000 0.462 200 R N -1.031 119.387 120.500 -0.137 0.000 2.115 200 R HA 0.006 4.346 4.340 0.000 0.000 0.226 200 R C 2.095 178.359 176.300 -0.061 0.000 1.100 200 R CA 1.698 57.735 56.100 -0.105 0.000 0.980 200 R CB -1.022 29.229 30.300 -0.082 0.000 0.875 200 R HN 0.808 nan 8.270 nan 0.000 0.445 201 Q N -0.291 119.468 119.800 -0.068 0.000 2.269 201 Q HA 0.133 4.473 4.340 0.000 0.000 0.201 201 Q C 0.249 176.247 176.000 -0.005 0.000 0.946 201 Q CA 0.228 56.022 55.803 -0.016 0.000 0.877 201 Q CB 0.347 29.128 28.738 0.072 0.000 0.963 201 Q HN 0.412 nan 8.270 nan 0.000 0.472 202 V N 1.824 121.704 119.914 -0.056 0.000 2.599 202 V HA 0.039 4.160 4.120 0.000 0.000 0.300 202 V C 0.093 176.203 176.094 0.026 0.000 1.034 202 V CA -0.030 62.269 62.300 -0.002 0.000 1.115 202 V CB 0.642 32.449 31.823 -0.027 0.000 0.934 202 V HN 0.184 nan 8.190 nan 0.000 0.485 203 A N 6.734 129.561 122.820 0.012 0.000 2.292 203 A HA 0.725 5.045 4.320 0.000 0.000 0.319 203 A C -0.495 177.054 177.584 -0.058 0.000 1.206 203 A CA -0.642 51.383 52.037 -0.019 0.000 0.835 203 A CB 0.492 19.486 19.000 -0.010 0.000 1.164 203 A HN 0.805 nan 8.150 nan 0.000 0.505 204 L N 3.543 124.686 121.223 -0.133 0.000 2.305 204 L HA 0.298 4.638 4.340 0.000 0.000 0.281 204 L C 0.600 177.453 176.870 -0.030 0.000 1.085 204 L CA -0.430 54.291 54.840 -0.199 0.000 0.813 204 L CB 1.360 43.025 42.059 -0.655 0.000 1.157 204 L HN 0.624 nan 8.230 nan 0.000 0.436 205 V N 1.419 121.415 119.914 0.137 0.000 2.854 205 V HA 0.158 4.278 4.120 0.000 0.000 0.236 205 V C 0.320 176.588 176.094 0.290 0.000 1.157 205 V CA 0.328 62.722 62.300 0.157 0.000 1.187 205 V CB 0.515 32.369 31.823 0.052 0.000 0.949 205 V HN 0.798 nan 8.190 nan 0.000 0.488 206 E N -0.779 119.600 120.200 0.298 0.000 2.290 206 E HA 0.315 4.665 4.350 0.000 0.000 0.274 206 E C -1.553 174.910 176.600 -0.227 0.000 0.889 206 E CA -0.508 55.929 56.400 0.062 0.000 0.760 206 E CB 2.160 31.855 29.700 -0.008 0.000 1.206 206 E HN 0.324 nan 8.360 nan 0.000 0.419 207 C N 5.551 124.342 119.300 -0.849 0.000 2.349 207 C HA 0.331 4.791 4.460 0.000 0.000 0.348 207 C C 1.329 176.030 174.990 -0.482 0.000 1.223 207 C CA -0.210 58.111 59.018 -1.161 0.000 1.746 207 C CB -0.996 25.864 27.740 -1.467 0.000 2.360 207 C HN 0.600 nan 8.230 nan 0.000 0.533 208 V N 4.163 123.909 119.914 -0.281 0.000 3.578 208 V HA 0.572 4.693 4.120 0.000 0.000 0.290 208 V C 0.753 176.815 176.094 -0.054 0.000 1.376 208 V CA 0.677 62.925 62.300 -0.087 0.000 1.083 208 V CB -0.499 31.363 31.823 0.065 0.000 0.911 208 V HN 1.060 nan 8.190 nan 0.000 0.433 209 G N -0.734 108.008 108.800 -0.098 0.000 2.732 209 G HA2 0.731 4.692 3.960 0.000 0.000 0.296 209 G HA3 0.731 4.692 3.960 0.000 0.000 0.296 209 G C -1.273 173.601 174.900 -0.044 0.000 1.448 209 G CA 0.038 45.136 45.100 -0.002 0.000 0.911 209 G HN 0.658 nan 8.290 nan 0.000 0.528 210 K N -0.704 119.661 120.400 -0.058 0.000 2.542 210 K HA 1.010 5.330 4.320 0.000 0.000 0.259 210 K C -0.025 176.375 176.600 -0.333 0.000 0.932 210 K CA 0.055 56.216 56.287 -0.210 0.000 0.820 210 K CB 1.778 34.179 32.500 -0.165 0.000 1.345 210 K HN 2.514 nan 8.250 nan 0.000 0.432 211 G N -1.168 107.254 108.800 -0.630 0.000 2.427 211 G HA2 0.557 4.517 3.960 0.000 0.000 0.306 211 G HA3 0.557 4.517 3.960 0.000 0.000 0.306 211 G C 0.667 175.231 174.900 -0.560 0.000 1.280 211 G CA 0.963 45.702 45.100 -0.601 0.000 0.837 211 G HN 1.345 nan 8.290 nan 0.000 0.482 212 R N -1.255 119.061 120.500 -0.306 0.000 2.148 212 R HA 0.067 4.407 4.340 0.000 0.000 0.227 212 R C 2.244 178.499 176.300 -0.075 0.000 1.103 212 R CA 2.542 58.568 56.100 -0.123 0.000 0.983 212 R CB -1.694 28.607 30.300 0.001 0.000 0.874 212 R HN 1.163 nan 8.270 nan 0.000 0.451 213 Y N -1.943 118.370 120.300 0.021 0.000 2.421 213 Y HA 0.329 4.879 4.550 0.000 0.000 0.292 213 Y C 1.255 177.135 175.900 -0.034 0.000 1.136 213 Y CA -0.097 58.010 58.100 0.011 0.000 1.255 213 Y CB -0.257 38.179 38.460 -0.039 0.000 0.991 213 Y HN 0.528 nan 8.280 nan 0.000 0.552 214 G N -0.196 108.406 108.800 -0.331 0.000 2.253 214 G HA2 0.027 3.987 3.960 0.000 0.000 0.190 214 G HA3 0.027 3.987 3.960 0.000 0.000 0.190 214 G C -1.327 173.415 174.900 -0.263 0.000 1.274 214 G CA -0.363 44.646 45.100 -0.152 0.000 1.275 214 G HN 0.326 nan 8.290 nan 0.000 0.518 215 E N -1.218 118.978 120.200 -0.006 0.000 2.366 215 E HA 0.573 4.924 4.350 0.000 0.000 0.278 215 E C -1.352 175.335 176.600 0.146 0.000 0.923 215 E CA -0.823 55.603 56.400 0.043 0.000 0.761 215 E CB 3.153 32.889 29.700 0.059 0.000 1.231 215 E HN 0.436 nan 8.360 nan 0.000 0.443 216 V N 1.788 121.767 119.914 0.108 0.000 2.513 216 V HA 0.451 4.572 4.120 0.000 0.000 0.299 216 V C -1.148 174.950 176.094 0.007 0.000 1.035 216 V CA -0.668 61.687 62.300 0.092 0.000 0.889 216 V CB 0.934 32.809 31.823 0.086 0.000 0.988 216 V HN 0.600 nan 8.190 nan 0.000 0.440 217 W N 2.817 124.077 121.300 -0.066 0.000 2.761 217 W HA 0.641 5.301 4.660 0.000 0.000 0.340 217 W C 0.193 176.647 176.519 -0.109 0.000 1.072 217 W CA -0.702 56.587 57.345 -0.094 0.000 1.215 217 W CB 1.521 30.874 29.460 -0.177 0.000 1.420 217 W HN 0.365 nan 8.180 nan 0.000 0.519 218 R N 1.619 122.158 120.500 0.065 0.000 2.298 218 R HA 0.598 4.938 4.340 0.000 0.000 0.310 218 R C 0.118 176.350 176.300 -0.113 0.000 1.068 218 R CA -0.045 55.894 56.100 -0.268 0.000 0.957 218 R CB 0.263 30.258 30.300 -0.509 0.000 1.003 218 R HN 0.724 nan 8.270 nan 0.000 0.454 219 G N 3.563 112.265 108.800 -0.164 0.000 2.519 219 G HA2 0.508 4.468 3.960 0.000 0.000 0.307 219 G HA3 0.508 4.468 3.960 0.000 0.000 0.307 219 G C -1.397 173.471 174.900 -0.055 0.000 1.266 219 G CA -0.765 44.287 45.100 -0.079 0.000 0.970 219 G HN 0.477 nan 8.290 nan 0.000 0.481 220 L N 0.767 121.988 121.223 -0.004 0.000 2.296 220 L HA 0.537 4.878 4.340 0.000 0.000 0.286 220 L C -1.269 175.685 176.870 0.139 0.000 1.023 220 L CA -0.796 54.067 54.840 0.039 0.000 0.812 220 L CB 1.831 43.897 42.059 0.011 0.000 1.223 220 L HN 0.608 nan 8.230 nan 0.000 0.421 221 W N 4.609 125.873 121.300 -0.060 0.000 2.647 221 W HA 0.366 5.026 4.660 0.000 0.000 0.328 221 W C -0.103 176.407 176.519 -0.014 0.000 1.018 221 W CA -0.641 56.656 57.345 -0.079 0.000 1.245 221 W CB 0.303 29.743 29.460 -0.034 0.000 1.356 221 W HN 0.497 nan 8.180 nan 0.000 0.443 222 H N 4.271 123.232 119.070 -0.182 0.000 2.506 222 H HA -0.188 4.368 4.556 0.000 0.000 0.323 222 H C 1.479 176.679 175.328 -0.215 0.000 1.076 222 H CA 2.113 57.978 56.048 -0.305 0.000 1.108 222 H CB -1.100 28.290 29.762 -0.619 0.000 1.569 222 H HN 1.191 nan 8.280 nan 0.000 0.399 223 G N -0.471 108.317 108.800 -0.021 0.000 2.417 223 G HA2 -0.325 3.636 3.960 0.000 0.000 0.233 223 G HA3 -0.325 3.636 3.960 0.000 0.000 0.233 223 G C 0.393 175.280 174.900 -0.020 0.000 1.103 223 G CA 0.612 45.700 45.100 -0.021 0.000 0.647 223 G HN 0.551 nan 8.290 nan 0.000 0.512 224 E N 0.772 120.955 120.200 -0.028 0.000 2.345 224 E HA 0.561 4.911 4.350 0.000 0.000 0.259 224 E C -0.229 176.394 176.600 0.037 0.000 1.117 224 E CA -0.103 56.295 56.400 -0.003 0.000 0.913 224 E CB 0.895 30.586 29.700 -0.014 0.000 1.057 224 E HN 0.205 nan 8.360 nan 0.000 0.432 225 S N 0.807 116.527 115.700 0.034 0.000 2.508 225 S HA 0.377 4.847 4.470 0.000 0.000 0.284 225 S C -0.539 174.104 174.600 0.072 0.000 1.192 225 S CA -0.801 57.401 58.200 0.003 0.000 1.070 225 S CB 1.013 64.202 63.200 -0.017 0.000 1.004 225 S HN 0.375 nan 8.310 nan 0.000 0.493 226 V N 0.142 120.076 119.914 0.034 0.000 3.040 226 V HA 1.001 5.121 4.120 0.000 0.000 0.312 226 V C -0.306 175.820 176.094 0.053 0.000 1.115 226 V CA -1.383 60.979 62.300 0.103 0.000 0.998 226 V CB 1.418 33.313 31.823 0.120 0.000 1.042 226 V HN 0.881 nan 8.190 nan 0.000 0.433 227 A N 2.300 125.208 122.820 0.146 0.000 2.290 227 A HA 0.805 5.125 4.320 0.000 0.000 0.310 227 A C -0.449 177.164 177.584 0.048 0.000 1.202 227 A CA -0.577 51.559 52.037 0.164 0.000 0.837 227 A CB 1.107 20.240 19.000 0.222 0.000 1.139 227 A HN 1.422 nan 8.150 nan 0.000 0.509 228 V N 3.647 123.562 119.914 0.002 0.000 2.349 228 V HA 0.278 4.398 4.120 0.000 0.000 0.284 228 V C 0.170 176.214 176.094 -0.084 0.000 1.014 228 V CA -0.584 61.639 62.300 -0.127 0.000 0.826 228 V CB 1.181 32.763 31.823 -0.401 0.000 1.009 228 V HN 0.902 nan 8.190 nan 0.000 0.431 229 K N 5.727 126.122 120.400 -0.009 0.000 2.267 229 K HA 0.522 4.842 4.320 0.000 0.000 0.282 229 K C -0.698 175.913 176.600 0.019 0.000 1.078 229 K CA -0.423 55.859 56.287 -0.008 0.000 0.903 229 K CB 0.553 33.024 32.500 -0.049 0.000 1.111 229 K HN 0.631 nan 8.250 nan 0.000 0.475 230 I N 5.841 126.397 120.570 -0.024 0.000 2.304 230 I HA 0.180 4.350 4.170 0.000 0.000 0.291 230 I C -0.218 176.000 176.117 0.169 0.000 1.018 230 I CA -0.643 60.709 61.300 0.086 0.000 1.260 230 I CB 0.433 38.447 38.000 0.023 0.000 1.390 230 I HN 0.444 nan 8.210 nan 0.000 0.475 231 F N 3.988 124.048 119.950 0.184 0.000 2.389 231 F HA 0.218 4.745 4.527 0.000 0.000 0.337 231 F C 1.272 177.144 175.800 0.120 0.000 1.112 231 F CA -0.199 57.914 58.000 0.188 0.000 1.192 231 F CB 1.182 40.307 39.000 0.209 0.000 1.185 231 F HN 0.485 nan 8.300 nan 0.000 0.552 232 S N 0.557 116.420 115.700 0.272 0.000 2.614 232 S HA 0.136 4.606 4.470 0.000 0.000 0.265 232 S C 0.905 175.605 174.600 0.167 0.000 1.303 232 S CA -0.623 57.674 58.200 0.162 0.000 1.000 232 S CB 1.367 64.624 63.200 0.095 0.000 0.935 232 S HN 0.614 nan 8.310 nan 0.000 0.551 233 S N 1.334 117.094 115.700 0.100 0.000 2.399 233 S HA -0.084 4.386 4.470 0.000 0.000 0.231 233 S C 2.443 177.093 174.600 0.083 0.000 1.022 233 S CA 1.372 59.615 58.200 0.072 0.000 0.983 233 S CB -0.807 62.417 63.200 0.041 0.000 0.803 233 S HN 0.904 nan 8.310 nan 0.000 0.480 234 R N 0.916 121.470 120.500 0.090 0.000 2.316 234 R HA 0.077 4.418 4.340 0.000 0.000 0.202 234 R C 1.185 177.566 176.300 0.134 0.000 1.029 234 R CA 1.437 57.592 56.100 0.092 0.000 1.018 234 R CB -0.730 29.615 30.300 0.076 0.000 0.888 234 R HN 0.345 nan 8.270 nan 0.000 0.471 235 D N -1.128 119.389 120.400 0.195 0.000 2.599 235 D HA 0.112 4.752 4.640 0.000 0.000 0.249 235 D C 0.801 177.285 176.300 0.307 0.000 1.313 235 D CA -0.190 53.979 54.000 0.282 0.000 0.815 235 D CB 0.176 41.209 40.800 0.389 0.000 1.077 235 D HN 0.567 nan 8.370 nan 0.000 0.492 236 E N -0.244 120.074 120.200 0.196 0.000 2.171 236 E HA -0.257 4.094 4.350 0.000 0.000 0.197 236 E C 1.368 178.091 176.600 0.205 0.000 0.997 236 E CA 0.871 57.356 56.400 0.142 0.000 0.810 236 E CB 0.214 29.949 29.700 0.059 0.000 0.738 236 E HN 0.180 nan 8.360 nan 0.000 0.467 237 Q N 0.038 119.943 119.800 0.174 0.000 2.297 237 Q HA -0.033 4.308 4.340 0.000 0.000 0.204 237 Q C 1.931 178.053 176.000 0.203 0.000 0.962 237 Q CA 0.956 56.870 55.803 0.184 0.000 0.879 237 Q CB 0.147 28.955 28.738 0.117 0.000 0.947 237 Q HN 0.025 nan 8.270 nan 0.000 0.462 238 S N -0.775 115.045 115.700 0.201 0.000 2.371 238 S HA -0.128 4.342 4.470 0.000 0.000 0.224 238 S C 1.149 175.782 174.600 0.055 0.000 1.029 238 S CA 0.924 59.243 58.200 0.199 0.000 0.978 238 S CB -0.480 62.949 63.200 0.382 0.000 0.833 238 S HN 0.681 nan 8.310 nan 0.000 0.466 239 W N 1.560 122.573 121.300 -0.478 0.000 2.338 239 W HA -0.189 4.471 4.660 0.000 0.000 0.304 239 W C 1.774 178.159 176.519 -0.224 0.000 1.212 239 W CA 1.201 58.047 57.345 -0.833 0.000 1.264 239 W CB -0.534 28.230 29.460 -1.160 0.000 1.142 239 W HN 0.268 nan 8.180 nan 0.000 0.512 240 F N 1.725 121.599 119.950 -0.126 0.000 2.075 240 F HA -0.162 4.365 4.527 0.000 0.000 0.297 240 F C 2.620 178.225 175.800 -0.324 0.000 1.113 240 F CA 2.481 60.306 58.000 -0.292 0.000 1.218 240 F CB -0.907 38.104 39.000 0.019 0.000 0.984 240 F HN -0.188 nan 8.300 nan 0.000 0.472 241 R N 0.862 121.276 120.500 -0.143 0.000 2.081 241 R HA -0.171 4.169 4.340 0.000 0.000 0.235 241 R C 2.208 178.317 176.300 -0.319 0.000 1.131 241 R CA 2.070 58.034 56.100 -0.226 0.000 0.960 241 R CB -0.849 29.407 30.300 -0.073 0.000 0.856 241 R HN 0.493 nan 8.270 nan 0.000 0.436 242 E N -1.466 118.573 120.200 -0.267 0.000 2.107 242 E HA -0.096 4.254 4.350 0.000 0.000 0.191 242 E C 1.248 177.670 176.600 -0.296 0.000 0.982 242 E CA 1.523 57.786 56.400 -0.227 0.000 0.809 242 E CB 0.107 29.810 29.700 0.004 0.000 0.756 242 E HN 0.353 nan 8.360 nan 0.000 0.459 243 T N 0.226 114.471 114.554 -0.515 0.000 2.857 243 T HA -0.139 4.211 4.350 0.000 0.000 0.266 243 T C 1.959 176.335 174.700 -0.541 0.000 1.048 243 T CA 1.502 63.255 62.100 -0.579 0.000 1.139 243 T CB -0.354 67.946 68.868 -0.946 0.000 0.874 243 T HN 0.435 nan 8.240 nan 0.000 0.455 244 E N 1.521 121.344 120.200 -0.628 0.000 2.023 244 E HA -0.110 4.240 4.350 0.000 0.000 0.196 244 E C 2.040 178.406 176.600 -0.390 0.000 1.003 244 E CA 1.491 57.573 56.400 -0.529 0.000 0.809 244 E CB -1.029 28.314 29.700 -0.596 0.000 0.755 244 E HN 0.624 nan 8.360 nan 0.000 0.449 245 I N -0.871 119.463 120.570 -0.393 0.000 2.226 245 I HA -0.222 3.948 4.170 0.000 0.000 0.245 245 I C 2.665 178.557 176.117 -0.374 0.000 1.100 245 I CA 1.513 62.593 61.300 -0.367 0.000 1.374 245 I CB -0.247 37.502 38.000 -0.418 0.000 1.057 245 I HN 0.301 nan 8.210 nan 0.000 0.413 246 Y N 0.992 121.001 120.300 -0.485 0.000 2.293 246 Y HA -0.142 4.408 4.550 0.001 0.000 0.291 246 Y C 2.376 177.906 175.900 -0.616 0.000 1.137 246 Y CA 1.079 58.770 58.100 -0.682 0.000 1.202 246 Y CB -0.506 37.139 38.460 -1.358 0.000 0.990 246 Y HN 0.238 nan 8.280 nan 0.000 0.537 247 N N -1.554 116.932 118.700 -0.356 0.000 2.446 247 N HA -0.047 4.693 4.740 0.000 0.000 0.179 247 N C 1.288 176.721 175.510 -0.128 0.000 1.054 247 N CA 1.129 54.063 53.050 -0.193 0.000 0.905 247 N CB 0.149 38.539 38.487 -0.161 0.000 0.973 247 N HN 0.277 nan 8.380 nan 0.000 0.448 248 T N -0.241 114.218 114.554 -0.159 0.000 2.999 248 T HA 0.196 4.546 4.350 0.000 0.000 0.247 248 T C 0.561 175.199 174.700 -0.104 0.000 1.012 248 T CA 0.102 62.126 62.100 -0.128 0.000 1.048 248 T CB 1.039 69.810 68.868 -0.160 0.000 1.020 248 T HN -0.201 nan 8.240 nan 0.000 0.478 249 V N 2.847 122.691 119.914 -0.116 0.000 2.417 249 V HA 0.419 4.539 4.120 0.000 0.000 0.291 249 V C -0.238 175.831 176.094 -0.040 0.000 1.024 249 V CA -0.858 61.385 62.300 -0.094 0.000 0.861 249 V CB 1.635 33.378 31.823 -0.134 0.000 0.985 249 V HN 0.332 nan 8.190 nan 0.000 0.436 250 L N 5.501 126.716 121.223 -0.012 0.000 2.536 250 L HA 0.144 4.484 4.340 0.000 0.000 0.282 250 L C 0.770 177.689 176.870 0.082 0.000 1.174 250 L CA 0.324 55.187 54.840 0.039 0.000 0.989 250 L CB 0.135 42.217 42.059 0.037 0.000 1.311 250 L HN 0.621 nan 8.230 nan 0.000 0.455 251 L N 2.372 123.670 121.223 0.125 0.000 2.781 251 L HA 0.236 4.576 4.340 0.000 0.000 0.245 251 L C 1.302 178.351 176.870 0.298 0.000 1.118 251 L CA 0.020 54.984 54.840 0.206 0.000 0.918 251 L CB 0.092 42.219 42.059 0.114 0.000 1.246 251 L HN 0.474 nan 8.230 nan 0.000 0.526 252 R N 0.794 121.426 120.500 0.221 0.000 2.523 252 R HA -0.055 4.286 4.340 0.000 0.000 0.281 252 R C -0.891 175.507 176.300 0.164 0.000 0.969 252 R CA 0.751 56.965 56.100 0.190 0.000 1.093 252 R CB -0.052 30.331 30.300 0.137 0.000 0.917 252 R HN 0.236 nan 8.270 nan 0.000 0.408 253 H N 2.503 121.574 119.070 0.003 0.000 3.121 253 H HA 0.033 4.589 4.556 0.001 0.000 0.337 253 H C -0.377 174.933 175.328 -0.030 0.000 1.198 253 H CA -0.579 55.389 56.048 -0.134 0.000 1.274 253 H CB 1.518 31.013 29.762 -0.444 0.000 1.954 253 H HN 0.726 nan 8.280 nan 0.000 0.531 254 D N 2.214 122.478 120.400 -0.225 0.000 2.172 254 D HA -0.160 4.481 4.640 0.000 0.000 0.196 254 D C 0.480 176.861 176.300 0.134 0.000 0.999 254 D CA 1.562 55.544 54.000 -0.029 0.000 0.856 254 D CB 0.088 40.818 40.800 -0.116 0.000 0.934 254 D HN 0.506 nan 8.370 nan 0.000 0.453 255 N N -0.598 118.310 118.700 0.346 0.000 2.320 255 N HA 0.291 5.032 4.740 0.000 0.000 0.237 255 N C -0.490 175.134 175.510 0.190 0.000 1.129 255 N CA -0.037 53.152 53.050 0.231 0.000 0.854 255 N CB 0.895 39.508 38.487 0.211 0.000 1.083 255 N HN 0.107 nan 8.380 nan 0.000 0.504 256 I N 0.780 121.482 120.570 0.220 0.000 2.619 256 I HA 0.192 4.362 4.170 0.000 0.000 0.292 256 I C -0.931 175.335 176.117 0.249 0.000 1.100 256 I CA -1.194 60.240 61.300 0.223 0.000 1.043 256 I CB 2.308 40.452 38.000 0.239 0.000 1.239 256 I HN -0.064 nan 8.210 nan 0.000 0.420 257 L N 5.599 126.982 121.223 0.266 0.000 2.513 257 L HA 0.320 4.660 4.340 0.000 0.000 0.272 257 L C 0.705 177.700 176.870 0.208 0.000 1.187 257 L CA 0.533 55.536 54.840 0.272 0.000 0.895 257 L CB 0.420 42.640 42.059 0.268 0.000 1.147 257 L HN 0.679 nan 8.230 nan 0.000 0.483 258 G N 4.923 113.755 108.800 0.054 0.000 2.378 258 G HA2 0.179 4.139 3.960 0.000 0.000 0.255 258 G HA3 0.179 4.139 3.960 0.000 0.000 0.255 258 G C -0.786 173.871 174.900 -0.405 0.000 1.270 258 G CA -0.447 44.478 45.100 -0.291 0.000 0.876 258 G HN 0.663 nan 8.290 nan 0.000 0.521 259 F N 2.876 122.520 119.950 -0.510 0.000 2.394 259 F HA 0.558 5.085 4.527 0.001 0.000 0.340 259 F C 0.816 176.409 175.800 -0.344 0.000 1.105 259 F CA -0.874 56.757 58.000 -0.615 0.000 1.124 259 F CB 1.094 39.551 39.000 -0.904 0.000 1.145 259 F HN 0.308 nan 8.300 nan 0.000 0.505 260 I N 3.507 123.497 120.570 -0.966 0.000 3.673 260 I HA 0.418 4.588 4.170 0.000 0.000 0.281 260 I C 0.333 175.864 176.117 -0.976 0.000 1.182 260 I CA 0.073 60.963 61.300 -0.682 0.000 1.391 260 I CB 0.427 38.228 38.000 -0.332 0.000 1.383 260 I HN 0.646 nan 8.210 nan 0.000 0.456 261 A N -0.161 121.948 122.820 -1.185 0.000 2.586 261 A HA 0.704 5.025 4.320 0.000 0.000 0.290 261 A C -1.177 176.214 177.584 -0.320 0.000 1.086 261 A CA -0.327 51.280 52.037 -0.717 0.000 0.665 261 A CB 1.766 20.554 19.000 -0.354 0.000 1.279 261 A HN -0.041 nan 8.150 nan 0.000 0.423 262 S N 0.143 115.895 115.700 0.087 0.000 2.571 262 S HA 0.678 5.149 4.470 0.000 0.000 0.284 262 S C -1.944 172.848 174.600 0.321 0.000 1.128 262 S CA -0.378 58.017 58.200 0.326 0.000 0.970 262 S CB 1.537 64.931 63.200 0.323 0.000 1.039 262 S HN 0.847 nan 8.310 nan 0.000 0.485 263 D N 2.519 123.174 120.400 0.424 0.000 2.596 263 D HA 0.395 5.035 4.640 0.000 0.000 0.234 263 D C -1.281 175.101 176.300 0.137 0.000 1.181 263 D CA -0.410 53.722 54.000 0.221 0.000 0.856 263 D CB 2.029 42.836 40.800 0.011 0.000 1.498 263 D HN 0.605 nan 8.370 nan 0.000 0.446 264 M N 2.030 121.620 119.600 -0.017 0.000 2.167 264 M HA 0.413 4.893 4.480 0.000 0.000 0.333 264 M C -1.009 175.125 176.300 -0.276 0.000 1.030 264 M CA -0.222 54.962 55.300 -0.193 0.000 0.963 264 M CB 1.335 33.853 32.600 -0.136 0.000 1.589 264 M HN 0.381 nan 8.290 nan 0.000 0.431 265 T N 1.298 115.596 114.554 -0.427 0.000 2.900 265 T HA 0.486 4.836 4.350 0.000 0.000 0.303 265 T C -0.396 174.073 174.700 -0.385 0.000 1.142 265 T CA -0.534 61.268 62.100 -0.497 0.000 1.007 265 T CB 1.730 70.047 68.868 -0.918 0.000 1.156 265 T HN 0.576 nan 8.240 nan 0.000 0.490 266 S N 1.341 116.868 115.700 -0.290 0.000 2.664 266 S HA 0.268 4.738 4.470 0.000 0.000 0.245 266 S C 2.023 176.518 174.600 -0.175 0.000 1.019 266 S CA 0.171 58.257 58.200 -0.190 0.000 0.996 266 S CB 0.259 63.380 63.200 -0.132 0.000 0.878 266 S HN 0.790 nan 8.310 nan 0.000 0.493 267 R N 2.173 122.523 120.500 -0.250 0.000 2.075 267 R HA 0.014 4.355 4.340 0.000 0.000 0.230 267 R C 1.072 177.321 176.300 -0.085 0.000 1.140 267 R CA 1.746 57.740 56.100 -0.176 0.000 0.928 267 R CB -2.024 28.133 30.300 -0.239 0.000 0.834 267 R HN 0.652 nan 8.270 nan 0.000 0.429 268 N N 0.612 119.290 118.700 -0.037 0.000 2.518 268 N HA 0.237 4.977 4.740 0.000 0.000 0.266 268 N C 1.331 176.829 175.510 -0.020 0.000 1.196 268 N CA 0.288 53.342 53.050 0.007 0.000 0.947 268 N CB 0.579 39.117 38.487 0.084 0.000 1.098 268 N HN 0.579 nan 8.380 nan 0.000 0.450 269 S N 0.048 115.740 115.700 -0.013 0.000 2.456 269 S HA -0.156 4.314 4.470 0.000 0.000 0.232 269 S C 1.419 176.000 174.600 -0.032 0.000 1.046 269 S CA 1.741 59.927 58.200 -0.023 0.000 1.175 269 S CB -0.576 62.617 63.200 -0.011 0.000 1.129 269 S HN 1.135 nan 8.310 nan 0.000 0.420 270 S N 1.832 117.522 115.700 -0.016 0.000 2.576 270 S HA 0.252 4.722 4.470 0.000 0.000 0.272 270 S C 0.206 174.780 174.600 -0.044 0.000 1.352 270 S CA -0.299 57.887 58.200 -0.023 0.000 1.021 270 S CB 0.260 63.456 63.200 -0.006 0.000 0.887 270 S HN 0.613 nan 8.310 nan 0.000 0.542 271 T N 0.441 114.957 114.554 -0.064 0.000 2.779 271 T HA 0.415 4.766 4.350 0.000 0.000 0.296 271 T C -0.476 174.166 174.700 -0.096 0.000 0.938 271 T CA -0.626 61.410 62.100 -0.106 0.000 1.119 271 T CB -0.037 68.763 68.868 -0.115 0.000 0.891 271 T HN 0.737 nan 8.240 nan 0.000 0.526 272 Q N 2.214 121.945 119.800 -0.115 0.000 2.399 272 Q HA 0.645 4.985 4.340 0.000 0.000 0.276 272 Q C -1.108 174.818 176.000 -0.124 0.000 1.098 272 Q CA -1.068 54.718 55.803 -0.028 0.000 0.827 272 Q CB 2.123 30.981 28.738 0.200 0.000 1.386 272 Q HN 0.594 nan 8.270 nan 0.000 0.443 273 L N 1.412 122.571 121.223 -0.106 0.000 2.264 273 L HA 0.430 4.770 4.340 0.000 0.000 0.289 273 L C -1.231 175.788 176.870 0.248 0.000 1.044 273 L CA -0.077 54.504 54.840 -0.432 0.000 0.807 273 L CB 0.434 41.766 42.059 -1.212 0.000 1.192 273 L HN 0.433 nan 8.230 nan 0.000 0.425 274 W N 4.668 126.004 121.300 0.061 0.000 2.606 274 W HA 0.636 5.296 4.660 0.000 0.000 0.332 274 W C -0.876 175.970 176.519 0.546 0.000 1.052 274 W CA -1.023 56.501 57.345 0.298 0.000 1.223 274 W CB 1.639 31.183 29.460 0.139 0.000 1.383 274 W HN 0.099 nan 8.180 nan 0.000 0.524 275 L N 4.601 126.246 121.223 0.704 0.000 2.376 275 L HA 0.632 4.973 4.340 0.000 0.000 0.275 275 L C -1.173 175.848 176.870 0.252 0.000 0.987 275 L CA -0.788 54.370 54.840 0.531 0.000 0.828 275 L CB 0.902 43.371 42.059 0.682 0.000 1.249 275 L HN 0.311 nan 8.230 nan 0.000 0.409 276 I N 4.719 125.340 120.570 0.084 0.000 2.354 276 I HA 0.649 4.819 4.170 0.000 0.000 0.292 276 I C 0.316 176.336 176.117 -0.161 0.000 0.989 276 I CA -0.095 61.177 61.300 -0.048 0.000 1.188 276 I CB 1.892 39.828 38.000 -0.106 0.000 1.342 276 I HN 0.794 nan 8.210 nan 0.000 0.457 277 T N 0.406 114.915 114.554 -0.075 0.000 2.716 277 T HA 0.461 4.811 4.350 0.000 0.000 0.286 277 T C -0.231 174.474 174.700 0.007 0.000 1.052 277 T CA -0.902 61.132 62.100 -0.110 0.000 1.024 277 T CB 0.748 69.593 68.868 -0.038 0.000 1.349 277 T HN 0.486 nan 8.240 nan 0.000 0.525 278 H N -0.563 118.491 119.070 -0.028 0.000 2.948 278 H HA 0.250 4.806 4.556 0.000 0.000 0.351 278 H C -1.066 174.163 175.328 -0.165 0.000 1.079 278 H CA -0.174 55.819 56.048 -0.091 0.000 1.407 278 H CB 0.297 29.975 29.762 -0.141 0.000 1.373 278 H HN 0.530 nan 8.280 nan 0.000 0.605 279 Y N 1.682 121.867 120.300 -0.191 0.000 2.360 279 Y HA 0.224 4.775 4.550 0.000 0.000 0.337 279 Y C -0.834 174.819 175.900 -0.412 0.000 1.039 279 Y CA -0.900 57.071 58.100 -0.216 0.000 1.109 279 Y CB 0.752 39.167 38.460 -0.075 0.000 1.201 279 Y HN 0.628 nan 8.280 nan 0.000 0.458 280 H N 4.389 123.105 119.070 -0.591 0.000 2.646 280 H HA 0.251 4.807 4.556 0.000 0.000 0.328 280 H C 0.526 175.427 175.328 -0.711 0.000 0.998 280 H CA -0.574 55.188 56.048 -0.476 0.000 1.225 280 H CB 1.606 31.231 29.762 -0.228 0.000 1.457 280 H HN 0.795 nan 8.280 nan 0.000 0.505 281 E N 1.550 121.497 120.200 -0.422 0.000 2.085 281 E HA -0.211 4.140 4.350 0.000 0.000 0.194 281 E C 0.779 177.319 176.600 -0.100 0.000 0.994 281 E CA 1.125 57.367 56.400 -0.263 0.000 0.801 281 E CB 0.060 29.687 29.700 -0.121 0.000 0.743 281 E HN 0.734 nan 8.360 nan 0.000 0.453 282 H N -0.268 118.774 119.070 -0.046 0.000 2.518 282 H HA -0.007 4.549 4.556 0.000 0.000 0.289 282 H C 1.259 176.597 175.328 0.017 0.000 1.051 282 H CA -0.016 56.049 56.048 0.027 0.000 1.280 282 H CB 0.124 29.884 29.762 -0.003 0.000 1.380 282 H HN 0.271 nan 8.280 nan 0.000 0.566 283 G N 0.210 109.039 108.800 0.048 0.000 2.553 283 G HA2 -0.327 3.633 3.960 0.000 0.000 0.242 283 G HA3 -0.327 3.633 3.960 0.000 0.000 0.242 283 G C 0.143 175.061 174.900 0.030 0.000 1.277 283 G CA -0.113 44.999 45.100 0.021 0.000 0.910 283 G HN 0.536 nan 8.290 nan 0.000 0.576 284 S N -0.664 115.061 115.700 0.042 0.000 2.624 284 S HA 0.508 4.979 4.470 0.000 0.000 0.263 284 S C 1.483 176.117 174.600 0.057 0.000 1.287 284 S CA 0.300 58.518 58.200 0.029 0.000 0.990 284 S CB 1.516 64.737 63.200 0.034 0.000 0.950 284 S HN 1.761 nan 8.310 nan 0.000 0.561 285 L N 0.455 121.694 121.223 0.026 0.000 2.131 285 L HA -0.004 4.336 4.340 0.000 0.000 0.210 285 L C 2.103 179.022 176.870 0.082 0.000 1.092 285 L CA 1.694 56.564 54.840 0.051 0.000 0.759 285 L CB -1.341 40.722 42.059 0.006 0.000 0.903 285 L HN 0.860 nan 8.230 nan 0.000 0.435 286 Y N 0.457 120.725 120.300 -0.054 0.000 2.097 286 Y HA -0.310 4.241 4.550 0.000 0.000 0.282 286 Y C 2.332 178.098 175.900 -0.224 0.000 1.152 286 Y CA 2.278 60.288 58.100 -0.151 0.000 1.136 286 Y CB -0.288 38.122 38.460 -0.084 0.000 0.975 286 Y HN 0.318 nan 8.280 nan 0.000 0.498 287 D N -0.446 120.000 120.400 0.076 0.000 2.104 287 D HA -0.227 4.413 4.640 0.000 0.000 0.194 287 D C 2.044 178.308 176.300 -0.060 0.000 0.994 287 D CA 1.644 55.647 54.000 0.004 0.000 0.830 287 D CB -0.733 40.126 40.800 0.098 0.000 0.959 287 D HN 0.405 nan 8.370 nan 0.000 0.452 288 F N 1.514 121.372 119.950 -0.153 0.000 2.113 288 F HA -0.077 4.450 4.527 0.000 0.000 0.297 288 F C 2.266 177.940 175.800 -0.210 0.000 1.103 288 F CA 0.965 58.860 58.000 -0.175 0.000 1.248 288 F CB -0.308 38.598 39.000 -0.156 0.000 0.999 288 F HN -0.142 nan 8.300 nan 0.000 0.475 289 L N -0.244 120.896 121.223 -0.138 0.000 2.265 289 L HA -0.203 4.138 4.340 0.000 0.000 0.215 289 L C 2.356 178.999 176.870 -0.379 0.000 1.117 289 L CA 1.070 55.767 54.840 -0.239 0.000 0.782 289 L CB -0.700 41.292 42.059 -0.113 0.000 0.914 289 L HN 0.250 nan 8.230 nan 0.000 0.441 290 Q N 0.911 120.393 119.800 -0.530 0.000 2.020 290 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 290 Q C 2.218 178.049 176.000 -0.282 0.000 0.982 290 Q CA 2.040 57.561 55.803 -0.471 0.000 0.838 290 Q CB 0.100 28.558 28.738 -0.466 0.000 0.899 290 Q HN 0.513 nan 8.270 nan 0.000 0.423 291 R N -1.586 118.740 120.500 -0.290 0.000 2.156 291 R HA 0.279 4.619 4.340 0.000 0.000 0.207 291 R C 0.810 176.928 176.300 -0.304 0.000 1.040 291 R CA 0.937 56.889 56.100 -0.247 0.000 1.013 291 R CB -0.587 29.589 30.300 -0.207 0.000 0.931 291 R HN 0.131 nan 8.270 nan 0.000 0.465 292 Q N 1.319 120.835 119.800 -0.472 0.000 2.266 292 Q HA 0.554 4.895 4.340 0.000 0.000 0.261 292 Q C -0.296 175.469 176.000 -0.390 0.000 0.985 292 Q CA -0.399 55.084 55.803 -0.532 0.000 0.873 292 Q CB 1.057 29.177 28.738 -1.029 0.000 1.306 292 Q HN 0.476 nan 8.270 nan 0.000 0.447 293 T N -1.069 113.322 114.554 -0.271 0.000 2.943 293 T HA 0.791 5.141 4.350 0.000 0.000 0.284 293 T C -0.166 174.446 174.700 -0.147 0.000 1.015 293 T CA -0.653 61.338 62.100 -0.182 0.000 1.042 293 T CB 0.536 69.324 68.868 -0.133 0.000 1.055 293 T HN 0.603 nan 8.240 nan 0.000 0.500 294 L N 1.697 122.865 121.223 -0.092 0.000 2.349 294 L HA 0.481 4.822 4.340 0.000 0.000 0.278 294 L C 0.508 177.365 176.870 -0.022 0.000 0.996 294 L CA -1.031 53.788 54.840 -0.035 0.000 0.825 294 L CB 1.691 43.751 42.059 0.002 0.000 1.243 294 L HN 0.748 nan 8.230 nan 0.000 0.412 295 E N 4.562 124.758 120.200 -0.006 0.000 2.415 295 E HA 0.051 4.402 4.350 0.000 0.000 0.262 295 E C -1.789 174.835 176.600 0.040 0.000 1.038 295 E CA -1.345 55.058 56.400 0.005 0.000 0.921 295 E CB 1.490 31.187 29.700 -0.004 0.000 0.950 295 E HN 0.313 nan 8.360 nan 0.000 0.438 296 P HA -0.229 nan 4.420 nan 0.000 0.216 296 P C 1.257 178.606 177.300 0.083 0.000 1.157 296 P CA 1.510 64.633 63.100 0.038 0.000 0.880 296 P CB -0.136 31.579 31.700 0.025 0.000 0.791 297 H N -0.142 118.924 119.070 -0.006 0.000 2.353 297 H HA -0.164 4.392 4.556 0.001 0.000 0.298 297 H C 1.788 177.119 175.328 0.006 0.000 1.103 297 H CA 1.658 57.706 56.048 -0.000 0.000 1.293 297 H CB -0.879 28.884 29.762 0.001 0.000 1.372 297 H HN -0.020 nan 8.280 nan 0.000 0.501 298 L N 1.052 122.475 121.223 0.333 0.000 2.072 298 L HA 0.059 4.400 4.340 0.000 0.000 0.205 298 L C 2.756 179.699 176.870 0.121 0.000 1.079 298 L CA 2.057 57.045 54.840 0.247 0.000 0.752 298 L CB -1.386 40.772 42.059 0.164 0.000 0.906 298 L HN 0.310 nan 8.230 nan 0.000 0.436 299 A N -0.318 122.549 122.820 0.080 0.000 1.917 299 A HA -0.215 4.105 4.320 0.000 0.000 0.219 299 A C 2.295 179.889 177.584 0.017 0.000 1.182 299 A CA 2.063 54.122 52.037 0.037 0.000 0.633 299 A CB -1.035 17.969 19.000 0.007 0.000 0.819 299 A HN 0.481 nan 8.150 nan 0.000 0.448 300 L N -0.498 120.726 121.223 0.002 0.000 2.156 300 L HA -0.105 4.235 4.340 0.000 0.000 0.208 300 L C 2.570 179.423 176.870 -0.030 0.000 1.095 300 L CA 2.155 56.980 54.840 -0.025 0.000 0.770 300 L CB -0.772 41.251 42.059 -0.061 0.000 0.914 300 L HN 0.625 nan 8.230 nan 0.000 0.439 301 R N -0.222 120.257 120.500 -0.034 0.000 2.075 301 R HA -0.168 4.173 4.340 0.000 0.000 0.232 301 R C 2.369 178.670 176.300 0.001 0.000 1.126 301 R CA 1.366 57.450 56.100 -0.026 0.000 0.963 301 R CB -0.220 30.088 30.300 0.014 0.000 0.858 301 R HN 0.330 nan 8.270 nan 0.000 0.435 302 L N 0.437 121.665 121.223 0.009 0.000 2.056 302 L HA -0.071 4.270 4.340 0.000 0.000 0.207 302 L C 2.760 179.646 176.870 0.026 0.000 1.078 302 L CA 1.439 56.278 54.840 -0.001 0.000 0.749 302 L CB -0.505 41.552 42.059 -0.003 0.000 0.901 302 L HN 0.334 nan 8.230 nan 0.000 0.433 303 A N -0.727 122.111 122.820 0.031 0.000 1.873 303 A HA -0.177 4.144 4.320 0.000 0.000 0.215 303 A C 2.440 180.104 177.584 0.133 0.000 1.186 303 A CA 1.870 53.947 52.037 0.066 0.000 0.616 303 A CB -0.981 18.043 19.000 0.040 0.000 0.823 303 A HN 0.192 nan 8.150 nan 0.000 0.442 304 V N 0.867 120.824 119.914 0.072 0.000 2.358 304 V HA -0.206 3.914 4.120 0.000 0.000 0.246 304 V C 2.861 178.999 176.094 0.073 0.000 1.047 304 V CA 2.964 65.300 62.300 0.062 0.000 1.035 304 V CB -0.484 31.348 31.823 0.015 0.000 0.658 304 V HN 0.799 nan 8.190 nan 0.000 0.452 305 S N 0.566 116.305 115.700 0.065 0.000 2.371 305 S HA -0.038 4.432 4.470 0.000 0.000 0.224 305 S C 2.162 176.826 174.600 0.107 0.000 1.029 305 S CA 1.221 59.462 58.200 0.068 0.000 0.978 305 S CB -0.691 62.530 63.200 0.036 0.000 0.833 305 S HN 0.791 nan 8.310 nan 0.000 0.466 306 A N 2.340 125.250 122.820 0.150 0.000 1.908 306 A HA 0.221 4.541 4.320 0.000 0.000 0.218 306 A C 2.538 180.306 177.584 0.307 0.000 1.181 306 A CA 1.894 54.089 52.037 0.263 0.000 0.627 306 A CB -1.509 17.678 19.000 0.312 0.000 0.818 306 A HN 0.888 nan 8.150 nan 0.000 0.445 307 A N -1.214 121.770 122.820 0.273 0.000 1.972 307 A HA -0.141 4.179 4.320 0.000 0.000 0.219 307 A C 2.277 179.814 177.584 -0.079 0.000 1.169 307 A CA 1.609 53.635 52.037 -0.018 0.000 0.635 307 A CB -1.187 17.787 19.000 -0.044 0.000 0.810 307 A HN 0.601 nan 8.150 nan 0.000 0.446 308 C N -1.103 118.201 119.300 0.007 0.000 2.432 308 C HA 0.018 4.478 4.460 0.000 0.000 0.277 308 C C 3.031 177.981 174.990 -0.067 0.000 1.249 308 C CA 0.602 59.621 59.018 0.001 0.000 1.725 308 C CB -1.575 26.218 27.740 0.088 0.000 2.028 308 C HN 0.698 nan 8.230 nan 0.000 0.477 309 G N 0.274 109.064 108.800 -0.018 0.000 2.491 309 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 309 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 309 G C 1.505 176.376 174.900 -0.048 0.000 1.180 309 G CA 1.135 46.217 45.100 -0.029 0.000 0.774 309 G HN 0.438 nan 8.290 nan 0.000 0.562 310 L N 1.258 122.422 121.223 -0.100 0.000 2.093 310 L HA 0.196 4.536 4.340 0.000 0.000 0.208 310 L C 3.140 179.778 176.870 -0.387 0.000 1.085 310 L CA 1.944 56.604 54.840 -0.299 0.000 0.755 310 L CB -0.683 41.045 42.059 -0.551 0.000 0.904 310 L HN 0.262 nan 8.230 nan 0.000 0.435 311 A N -1.581 121.068 122.820 -0.284 0.000 1.902 311 A HA -0.296 4.024 4.320 0.000 0.000 0.217 311 A C 2.406 179.938 177.584 -0.086 0.000 1.181 311 A CA 1.827 53.751 52.037 -0.189 0.000 0.623 311 A CB -1.064 17.860 19.000 -0.127 0.000 0.818 311 A HN 0.694 nan 8.150 nan 0.000 0.443 312 H N -0.195 118.754 119.070 -0.201 0.000 2.353 312 H HA -0.045 4.511 4.556 0.001 0.000 0.300 312 H C 1.967 177.232 175.328 -0.105 0.000 1.090 312 H CA 1.682 57.607 56.048 -0.205 0.000 1.327 312 H CB -0.121 29.347 29.762 -0.490 0.000 1.383 312 H HN 0.420 nan 8.280 nan 0.000 0.508 313 L N -0.176 120.984 121.223 -0.104 0.000 2.012 313 L HA -0.228 4.113 4.340 0.000 0.000 0.210 313 L C 2.656 179.567 176.870 0.068 0.000 1.073 313 L CA 1.523 56.342 54.840 -0.035 0.000 0.748 313 L CB -0.646 41.478 42.059 0.107 0.000 0.891 313 L HN 0.462 nan 8.230 nan 0.000 0.431 314 H N -1.796 117.229 119.070 -0.075 0.000 2.395 314 H HA -0.007 4.550 4.556 0.001 0.000 0.299 314 H C 0.721 176.029 175.328 -0.032 0.000 1.070 314 H CA 0.092 56.127 56.048 -0.023 0.000 1.356 314 H CB 0.423 30.146 29.762 -0.064 0.000 1.401 314 H HN 0.038 nan 8.280 nan 0.000 0.524 315 V N 2.369 122.295 119.914 0.019 0.000 2.461 315 V HA 0.007 4.127 4.120 0.000 0.000 0.275 315 V C 0.015 176.000 176.094 -0.183 0.000 1.047 315 V CA -0.261 61.998 62.300 -0.068 0.000 0.955 315 V CB 1.212 32.992 31.823 -0.071 0.000 0.988 315 V HN 0.290 nan 8.190 nan 0.000 0.471 316 E N 5.973 126.020 120.200 -0.255 0.000 2.316 316 E HA 0.287 4.637 4.350 0.000 0.000 0.275 316 E C -0.692 175.549 176.600 -0.600 0.000 1.029 316 E CA -0.338 55.807 56.400 -0.425 0.000 0.871 316 E CB 0.751 30.147 29.700 -0.507 0.000 1.022 316 E HN 0.683 nan 8.360 nan 0.000 0.418 317 I N 5.188 125.474 120.570 -0.472 0.000 2.359 317 I HA 0.211 4.381 4.170 0.000 0.000 0.294 317 I C -0.244 175.614 176.117 -0.430 0.000 0.987 317 I CA -0.711 60.337 61.300 -0.420 0.000 1.225 317 I CB 0.622 38.520 38.000 -0.170 0.000 1.366 317 I HN 0.461 nan 8.210 nan 0.000 0.466 318 F N 3.098 123.026 119.950 -0.036 0.000 2.348 318 F HA 0.722 5.249 4.527 0.000 0.000 0.308 318 F C 1.145 176.928 175.800 -0.029 0.000 1.175 318 F CA -0.247 57.727 58.000 -0.042 0.000 1.080 318 F CB 0.238 39.215 39.000 -0.038 0.000 1.341 318 F HN 0.633 nan 8.300 nan 0.000 0.518 319 G N -0.002 108.905 108.800 0.179 0.000 2.746 319 G HA2 -0.182 3.778 3.960 0.000 0.000 0.685 319 G HA3 -0.182 3.778 3.960 0.000 0.000 0.685 319 G C 0.394 175.323 174.900 0.048 0.000 1.350 319 G CA -0.435 44.721 45.100 0.093 0.000 0.837 319 G HN 0.752 nan 8.290 nan 0.000 0.564 320 T N 0.402 114.977 114.554 0.035 0.000 2.822 320 T HA -0.098 4.253 4.350 0.000 0.000 0.270 320 T C 1.845 176.557 174.700 0.019 0.000 1.064 320 T CA 2.206 64.319 62.100 0.021 0.000 1.131 320 T CB -0.111 68.768 68.868 0.018 0.000 0.858 320 T HN 0.507 nan 8.240 nan 0.000 0.483 321 Q N -0.022 119.793 119.800 0.025 0.000 2.179 321 Q HA 0.300 4.640 4.340 0.000 0.000 0.213 321 Q C 1.182 177.194 176.000 0.020 0.000 0.833 321 Q CA -0.187 55.631 55.803 0.025 0.000 0.990 321 Q CB 0.906 29.663 28.738 0.032 0.000 1.132 321 Q HN 0.501 nan 8.270 nan 0.000 0.493 322 G N 2.104 110.907 108.800 0.005 0.000 2.514 322 G HA2 0.329 4.290 3.960 0.000 0.000 0.245 322 G HA3 0.329 4.290 3.960 0.000 0.000 0.245 322 G C -0.185 174.680 174.900 -0.058 0.000 1.488 322 G CA -0.204 44.877 45.100 -0.031 0.000 1.063 322 G HN 0.185 nan 8.290 nan 0.000 0.557 323 K N -1.145 119.183 120.400 -0.121 0.000 2.610 323 K HA 0.444 4.764 4.320 0.000 0.000 0.278 323 K C -3.241 173.241 176.600 -0.196 0.000 0.964 323 K CA -1.519 54.683 56.287 -0.142 0.000 0.859 323 K CB 2.253 34.664 32.500 -0.149 0.000 1.434 323 K HN 0.318 nan 8.250 nan 0.000 0.410 324 P HA 0.133 nan 4.420 nan 0.000 0.276 324 P C -0.643 176.514 177.300 -0.239 0.000 1.261 324 P CA -0.496 62.465 63.100 -0.231 0.000 0.800 324 P CB 0.765 32.332 31.700 -0.221 0.000 1.066 325 A N 1.614 124.265 122.820 -0.282 0.000 2.450 325 A HA 0.418 4.739 4.320 0.000 0.000 0.255 325 A C 0.196 177.745 177.584 -0.058 0.000 1.096 325 A CA -0.062 51.874 52.037 -0.168 0.000 0.778 325 A CB -0.878 18.021 19.000 -0.170 0.000 1.031 325 A HN 0.430 nan 8.150 nan 0.000 0.494 326 I N 1.728 122.375 120.570 0.129 0.000 2.466 326 I HA 0.542 4.713 4.170 0.000 0.000 0.289 326 I C 0.362 176.621 176.117 0.238 0.000 1.026 326 I CA -0.307 61.091 61.300 0.163 0.000 1.078 326 I CB 2.120 40.130 38.000 0.017 0.000 1.249 326 I HN 0.684 nan 8.210 nan 0.000 0.429 327 A N 4.290 127.221 122.820 0.185 0.000 2.324 327 A HA 0.400 4.721 4.320 0.000 0.000 0.330 327 A C 0.473 178.124 177.584 0.110 0.000 1.165 327 A CA -0.415 51.642 52.037 0.033 0.000 0.813 327 A CB 0.680 19.526 19.000 -0.257 0.000 1.197 327 A HN 0.896 nan 8.150 nan 0.000 0.484 328 H N 1.377 120.528 119.070 0.135 0.000 2.307 328 H HA -0.017 4.539 4.556 0.000 0.000 0.303 328 H C 0.719 176.112 175.328 0.109 0.000 1.073 328 H CA 2.052 58.184 56.048 0.141 0.000 1.338 328 H CB 0.123 30.035 29.762 0.250 0.000 1.389 328 H HN 0.917 nan 8.280 nan 0.000 0.503 329 R N -0.729 119.970 120.500 0.331 0.000 3.840 329 R HA -0.174 4.167 4.340 0.000 0.000 0.464 329 R C -0.531 175.959 176.300 0.317 0.000 0.986 329 R CA 1.184 57.436 56.100 0.254 0.000 1.305 329 R CB -1.301 29.053 30.300 0.091 0.000 1.950 329 R HN 0.328 nan 8.270 nan 0.000 0.526 330 D N -0.431 120.287 120.400 0.530 0.000 2.940 330 D HA 0.129 4.769 4.640 0.000 0.000 0.366 330 D C -1.173 175.253 176.300 0.209 0.000 1.446 330 D CA -0.389 53.839 54.000 0.379 0.000 0.780 330 D CB 0.079 41.049 40.800 0.282 0.000 1.206 330 D HN 0.074 nan 8.370 nan 0.000 0.454 331 F N 2.659 122.596 119.950 -0.022 0.000 2.472 331 F HA 0.306 4.833 4.527 0.001 0.000 0.364 331 F C 0.378 175.967 175.800 -0.352 0.000 1.090 331 F CA 0.285 58.102 58.000 -0.305 0.000 1.188 331 F CB 0.160 39.076 39.000 -0.139 0.000 1.105 331 F HN -0.015 nan 8.300 nan 0.000 0.536 332 K N 1.772 121.608 120.400 -0.939 0.000 2.607 332 K HA 0.321 4.641 4.320 0.000 0.000 0.287 332 K C 0.045 176.224 176.600 -0.701 0.000 0.996 332 K CA -0.272 55.395 56.287 -1.034 0.000 0.876 332 K CB 1.121 32.941 32.500 -1.135 0.000 1.496 332 K HN 0.356 nan 8.250 nan 0.000 0.415 333 S N 0.235 115.737 115.700 -0.330 0.000 2.419 333 S HA -0.115 4.355 4.470 0.000 0.000 0.233 333 S C 1.540 176.093 174.600 -0.079 0.000 1.016 333 S CA 0.617 58.758 58.200 -0.099 0.000 0.974 333 S CB -0.414 62.905 63.200 0.198 0.000 0.786 333 S HN 0.610 nan 8.310 nan 0.000 0.492 334 R N 1.242 121.678 120.500 -0.107 0.000 2.236 334 R HA 0.189 4.529 4.340 0.000 0.000 0.208 334 R C 0.476 176.680 176.300 -0.161 0.000 1.036 334 R CA 0.645 56.675 56.100 -0.117 0.000 1.001 334 R CB -0.161 30.034 30.300 -0.176 0.000 0.896 334 R HN 0.363 nan 8.270 nan 0.000 0.464 335 N N -0.020 118.535 118.700 -0.242 0.000 2.273 335 N HA 0.090 4.830 4.740 0.000 0.000 0.231 335 N C -1.063 174.304 175.510 -0.240 0.000 1.134 335 N CA 0.184 53.107 53.050 -0.212 0.000 0.856 335 N CB 1.294 39.660 38.487 -0.200 0.000 1.068 335 N HN -0.131 nan 8.380 nan 0.000 0.510 336 V N 1.440 121.214 119.914 -0.233 0.000 2.531 336 V HA 0.442 4.562 4.120 0.000 0.000 0.301 336 V C -0.010 176.025 176.094 -0.098 0.000 1.034 336 V CA -0.781 61.416 62.300 -0.172 0.000 0.865 336 V CB 2.326 34.014 31.823 -0.225 0.000 0.995 336 V HN -0.023 nan 8.190 nan 0.000 0.424 337 L N 4.272 125.450 121.223 -0.075 0.000 2.344 337 L HA 0.655 4.995 4.340 0.000 0.000 0.272 337 L C -0.423 176.343 176.870 -0.174 0.000 1.035 337 L CA -0.740 54.047 54.840 -0.089 0.000 0.807 337 L CB 1.977 44.015 42.059 -0.036 0.000 1.237 337 L HN 0.361 nan 8.230 nan 0.000 0.442 338 V N 2.050 121.848 119.914 -0.192 0.000 2.370 338 V HA 0.325 4.445 4.120 0.000 0.000 0.283 338 V C 0.085 176.038 176.094 -0.234 0.000 1.023 338 V CA -0.892 61.240 62.300 -0.280 0.000 0.857 338 V CB 1.277 32.792 31.823 -0.514 0.000 0.985 338 V HN 0.644 nan 8.190 nan 0.000 0.443 339 K N 2.282 122.510 120.400 -0.286 0.000 2.117 339 K HA 0.350 4.670 4.320 0.000 0.000 0.240 339 K C 1.332 177.884 176.600 -0.081 0.000 1.031 339 K CA -0.334 55.808 56.287 -0.243 0.000 0.909 339 K CB 0.538 32.884 32.500 -0.256 0.000 1.097 339 K HN 0.573 nan 8.250 nan 0.000 0.492 340 S N 1.200 116.862 115.700 -0.063 0.000 2.387 340 S HA -0.171 4.299 4.470 0.000 0.000 0.230 340 S C 1.102 175.706 174.600 0.007 0.000 1.035 340 S CA 1.899 60.062 58.200 -0.062 0.000 1.014 340 S CB -0.471 62.703 63.200 -0.044 0.000 0.836 340 S HN 0.677 nan 8.310 nan 0.000 0.466 341 N N 1.889 120.585 118.700 -0.007 0.000 2.362 341 N HA 0.137 4.877 4.740 0.000 0.000 0.211 341 N C 0.094 175.602 175.510 -0.004 0.000 1.170 341 N CA -0.027 53.026 53.050 0.005 0.000 0.828 341 N CB -1.020 37.468 38.487 0.000 0.000 1.034 341 N HN 0.353 nan 8.380 nan 0.000 0.475 342 L N -1.829 119.380 121.223 -0.024 0.000 3.737 342 L HA -0.310 4.031 4.340 0.000 0.000 0.418 342 L C -0.437 176.378 176.870 -0.093 0.000 1.216 342 L CA 0.737 55.521 54.840 -0.094 0.000 0.915 342 L CB -1.972 40.069 42.059 -0.030 0.000 1.834 342 L HN 0.511 nan 8.230 nan 0.000 0.943 343 Q N -0.896 118.848 119.800 -0.092 0.000 2.301 343 Q HA 0.531 4.871 4.340 0.000 0.000 0.267 343 Q C -0.197 175.731 176.000 -0.120 0.000 1.035 343 Q CA -0.739 55.018 55.803 -0.077 0.000 0.856 343 Q CB 2.586 31.302 28.738 -0.038 0.000 1.337 343 Q HN 0.355 nan 8.270 nan 0.000 0.450 344 C N 1.005 120.258 119.300 -0.079 0.000 2.443 344 C HA 0.681 5.142 4.460 0.000 0.000 0.369 344 C C 0.261 175.224 174.990 -0.045 0.000 1.241 344 C CA -0.797 58.173 59.018 -0.080 0.000 2.413 344 C CB -0.265 27.464 27.740 -0.019 0.000 2.451 344 C HN 0.914 nan 8.230 nan 0.000 0.595 345 C N 1.258 120.525 119.300 -0.055 0.000 2.686 345 C HA 0.709 5.169 4.460 0.000 0.000 0.318 345 C C -0.701 174.325 174.990 0.059 0.000 1.160 345 C CA -0.929 58.105 59.018 0.027 0.000 1.396 345 C CB -0.711 27.046 27.740 0.027 0.000 1.924 345 C HN 0.821 nan 8.230 nan 0.000 0.471 346 I N 3.073 123.717 120.570 0.125 0.000 2.575 346 I HA 0.562 4.732 4.170 0.000 0.000 0.285 346 I C 0.862 177.089 176.117 0.184 0.000 1.085 346 I CA 0.392 61.778 61.300 0.144 0.000 1.403 346 I CB 1.053 39.194 38.000 0.235 0.000 1.409 346 I HN 1.040 nan 8.210 nan 0.000 0.557 347 A N 3.859 126.781 122.820 0.171 0.000 2.437 347 A HA 0.604 4.924 4.320 0.000 0.000 0.288 347 A C -0.502 177.250 177.584 0.280 0.000 1.201 347 A CA -0.409 51.755 52.037 0.213 0.000 0.795 347 A CB 1.082 20.166 19.000 0.141 0.000 1.359 347 A HN 0.767 nan 8.150 nan 0.000 0.435 348 D N -1.776 118.747 120.400 0.205 0.000 3.729 348 D HA -0.104 4.536 4.640 0.000 0.000 0.242 348 D C -0.659 175.621 176.300 -0.033 0.000 1.091 348 D CA 0.367 54.450 54.000 0.138 0.000 1.096 348 D CB -1.002 39.871 40.800 0.122 0.000 0.901 348 D HN 0.304 nan 8.370 nan 0.000 0.416 349 L N 2.106 123.270 121.223 -0.098 0.000 2.685 349 L HA 0.375 4.715 4.340 0.000 0.000 0.233 349 L C 2.469 179.218 176.870 -0.202 0.000 1.173 349 L CA 0.838 55.505 54.840 -0.287 0.000 0.961 349 L CB 0.210 42.050 42.059 -0.365 0.000 1.217 349 L HN 0.501 nan 8.230 nan 0.000 0.478 350 G N -0.623 108.135 108.800 -0.069 0.000 2.462 350 G HA2 -0.177 3.784 3.960 0.000 0.000 0.220 350 G HA3 -0.177 3.784 3.960 0.000 0.000 0.220 350 G C 1.298 176.187 174.900 -0.019 0.000 1.121 350 G CA 0.467 45.576 45.100 0.015 0.000 0.758 350 G HN 0.383 nan 8.290 nan 0.000 0.559 351 L N 0.498 121.680 121.223 -0.068 0.000 2.857 351 L HA 0.430 4.770 4.340 0.000 0.000 0.249 351 L C 1.403 178.202 176.870 -0.118 0.000 1.172 351 L CA -0.616 54.190 54.840 -0.056 0.000 0.980 351 L CB 0.335 42.393 42.059 -0.002 0.000 1.299 351 L HN 0.207 nan 8.230 nan 0.000 0.535 352 A N 0.865 123.583 122.820 -0.170 0.000 2.466 352 A HA 0.401 4.721 4.320 0.000 0.000 0.238 352 A C -0.035 177.469 177.584 -0.135 0.000 1.074 352 A CA 0.010 51.949 52.037 -0.162 0.000 0.774 352 A CB 0.376 19.263 19.000 -0.189 0.000 1.015 352 A HN 0.117 nan 8.150 nan 0.000 0.498 353 V N 0.020 119.873 119.914 -0.103 0.000 2.823 353 V HA 0.844 4.965 4.120 0.000 0.000 0.312 353 V C -0.397 175.751 176.094 0.090 0.000 1.072 353 V CA -0.979 61.277 62.300 -0.074 0.000 0.937 353 V CB 1.683 33.363 31.823 -0.238 0.000 1.013 353 V HN 0.870 nan 8.190 nan 0.000 0.430 354 M N 3.903 123.512 119.600 0.016 0.000 2.530 354 M HA 0.623 5.103 4.480 0.000 0.000 0.307 354 M C -1.039 175.123 176.300 -0.231 0.000 1.161 354 M CA -0.420 54.816 55.300 -0.105 0.000 0.903 354 M CB 2.364 34.884 32.600 -0.132 0.000 1.711 354 M HN 1.042 nan 8.290 nan 0.000 0.451 355 H N 0.294 118.932 119.070 -0.720 0.000 2.894 355 H HA 0.551 5.107 4.556 0.001 0.000 0.367 355 H C -1.821 173.208 175.328 -0.497 0.000 1.144 355 H CA -0.389 55.251 56.048 -0.680 0.000 1.180 355 H CB 2.142 31.242 29.762 -1.103 0.000 1.758 355 H HN 0.708 nan 8.280 nan 0.000 0.541 356 S N 2.831 118.043 115.700 -0.814 0.000 2.482 356 S HA 0.092 4.562 4.470 0.000 0.000 0.303 356 S C -0.475 173.683 174.600 -0.738 0.000 1.091 356 S CA -0.672 57.174 58.200 -0.590 0.000 1.057 356 S CB 1.986 65.006 63.200 -0.299 0.000 1.031 356 S HN 0.640 nan 8.310 nan 0.000 0.485 357 Q N 1.389 120.979 119.800 -0.350 0.000 2.247 357 Q HA 0.399 4.739 4.340 0.000 0.000 0.288 357 Q C 0.818 176.743 176.000 -0.125 0.000 1.079 357 Q CA 1.242 56.956 55.803 -0.148 0.000 0.932 357 Q CB -0.153 28.659 28.738 0.124 0.000 1.133 357 Q HN 0.963 nan 8.270 nan 0.000 0.377 358 G N 1.576 110.317 108.800 -0.099 0.000 1.876 358 G HA2 0.349 4.309 3.960 0.000 0.000 0.059 358 G HA3 0.349 4.309 3.960 0.000 0.000 0.059 358 G C -0.627 174.265 174.900 -0.014 0.000 0.755 358 G CA 0.006 45.066 45.100 -0.066 0.000 1.092 358 G HN 1.077 nan 8.290 nan 0.000 0.322 359 S N -1.229 114.468 115.700 -0.006 0.000 2.615 359 S HA 0.724 5.194 4.470 0.000 0.000 0.268 359 S C -0.439 174.208 174.600 0.079 0.000 1.146 359 S CA 1.120 59.358 58.200 0.063 0.000 0.818 359 S CB -0.036 63.184 63.200 0.032 0.000 1.111 359 S HN 2.023 nan 8.310 nan 0.000 0.465 360 D N -0.315 120.143 120.400 0.095 0.000 2.488 360 D HA 0.540 5.180 4.640 0.000 0.000 0.238 360 D C 0.589 176.913 176.300 0.040 0.000 1.138 360 D CA 0.719 54.765 54.000 0.076 0.000 0.873 360 D CB -0.651 40.181 40.800 0.053 0.000 1.183 360 D HN 1.804 nan 8.370 nan 0.000 0.458 361 Y N -1.538 118.781 120.300 0.031 0.000 2.550 361 Y HA 0.480 5.030 4.550 0.000 0.000 0.343 361 Y C 0.996 176.938 175.900 0.071 0.000 1.245 361 Y CA -0.378 57.745 58.100 0.038 0.000 1.462 361 Y CB -0.023 38.448 38.460 0.018 0.000 1.340 361 Y HN 1.519 nan 8.280 nan 0.000 0.604 362 L N 2.896 124.160 121.223 0.069 0.000 2.276 362 L HA 0.535 4.875 4.340 0.000 0.000 0.286 362 L C -0.023 176.871 176.870 0.040 0.000 1.024 362 L CA -0.860 54.029 54.840 0.082 0.000 0.826 362 L CB 0.888 42.995 42.059 0.081 0.000 1.211 362 L HN 0.932 nan 8.230 nan 0.000 0.422 363 D N 3.076 123.480 120.400 0.007 0.000 2.367 363 D HA 0.382 5.022 4.640 0.000 0.000 0.255 363 D C 0.779 177.060 176.300 -0.032 0.000 1.300 363 D CA 0.956 54.943 54.000 -0.021 0.000 0.959 363 D CB 1.152 41.919 40.800 -0.053 0.000 1.064 363 D HN 0.680 nan 8.370 nan 0.000 0.509 364 I N 1.535 122.090 120.570 -0.026 0.000 3.939 364 I HA 0.444 4.615 4.170 0.000 0.000 0.313 364 I C 1.408 177.495 176.117 -0.051 0.000 1.274 364 I CA 0.813 62.077 61.300 -0.060 0.000 1.301 364 I CB -0.765 37.215 38.000 -0.032 0.000 1.105 364 I HN 0.694 nan 8.210 nan 0.000 0.427 365 G N -0.206 108.584 108.800 -0.016 0.000 2.660 365 G HA2 0.342 4.302 3.960 0.000 0.000 0.215 365 G HA3 0.342 4.302 3.960 0.000 0.000 0.215 365 G C -0.075 174.842 174.900 0.029 0.000 1.345 365 G CA 0.339 45.445 45.100 0.011 0.000 0.877 365 G HN 2.085 nan 8.290 nan 0.000 0.549 366 N N -0.304 118.427 118.700 0.051 0.000 2.622 366 N HA 0.503 5.243 4.740 0.000 0.000 0.293 366 N C -0.368 175.171 175.510 0.049 0.000 1.788 366 N CA 0.560 53.636 53.050 0.043 0.000 0.860 366 N CB 0.835 39.345 38.487 0.038 0.000 1.388 366 N HN 0.839 nan 8.380 nan 0.000 0.496 367 N N 1.748 120.477 118.700 0.050 0.000 2.437 367 N HA 0.357 5.097 4.740 0.000 0.000 0.259 367 N C -1.430 174.113 175.510 0.055 0.000 0.983 367 N CA -1.939 51.148 53.050 0.062 0.000 0.937 367 N CB 2.115 40.643 38.487 0.068 0.000 1.122 367 N HN 0.203 nan 8.380 nan 0.000 0.499 368 P HA -0.110 nan 4.420 nan 0.000 0.220 368 P C 0.543 177.879 177.300 0.060 0.000 1.148 368 P CA 0.860 63.990 63.100 0.049 0.000 0.803 368 P CB 0.083 31.811 31.700 0.046 0.000 0.782 369 R N 1.084 121.632 120.500 0.080 0.000 2.756 369 R HA 0.360 4.701 4.340 0.000 0.000 0.264 369 R C 0.672 177.026 176.300 0.089 0.000 1.026 369 R CA 0.386 56.542 56.100 0.094 0.000 1.121 369 R CB -1.003 29.369 30.300 0.121 0.000 0.999 369 R HN 0.211 nan 8.270 nan 0.000 0.449 370 V N -1.422 118.552 119.914 0.101 0.000 3.155 370 V HA 0.939 5.059 4.120 0.000 0.000 0.313 370 V C 0.849 177.028 176.094 0.142 0.000 1.162 370 V CA -0.522 61.846 62.300 0.114 0.000 1.048 370 V CB 1.666 33.554 31.823 0.108 0.000 1.092 370 V HN 1.337 nan 8.190 nan 0.000 0.447 371 G N 0.281 109.181 108.800 0.166 0.000 2.630 371 G HA2 0.384 4.344 3.960 0.000 0.000 0.236 371 G HA3 0.384 4.344 3.960 0.000 0.000 0.236 371 G C 0.154 175.178 174.900 0.206 0.000 1.248 371 G CA 0.139 45.357 45.100 0.197 0.000 0.844 371 G HN 1.028 nan 8.290 nan 0.000 0.588 372 T N 1.711 116.401 114.554 0.226 0.000 2.829 372 T HA 0.038 4.388 4.350 0.000 0.000 0.293 372 T C 1.682 176.552 174.700 0.283 0.000 0.970 372 T CA 0.154 62.407 62.100 0.254 0.000 1.168 372 T CB 0.883 69.931 68.868 0.301 0.000 0.911 372 T HN 0.570 nan 8.240 nan 0.000 0.535 373 K N 2.878 123.407 120.400 0.215 0.000 2.074 373 K HA -0.181 4.139 4.320 0.000 0.000 0.209 373 K C 2.395 179.066 176.600 0.117 0.000 1.048 373 K CA 1.178 57.563 56.287 0.163 0.000 0.926 373 K CB -0.050 32.530 32.500 0.133 0.000 0.713 373 K HN 0.417 nan 8.250 nan 0.000 0.444 374 R N 0.146 120.725 120.500 0.132 0.000 2.159 374 R HA -0.165 4.175 4.340 0.000 0.000 0.237 374 R C 0.930 177.250 176.300 0.033 0.000 1.131 374 R CA 1.493 57.606 56.100 0.021 0.000 0.982 374 R CB 0.019 30.304 30.300 -0.025 0.000 0.868 374 R HN 0.295 nan 8.270 nan 0.000 0.453 375 Y N -0.785 119.664 120.300 0.249 0.000 2.507 375 Y HA 0.260 4.810 4.550 0.000 0.000 0.254 375 Y C 0.243 176.384 175.900 0.402 0.000 1.171 375 Y CA -0.422 57.903 58.100 0.375 0.000 1.238 375 Y CB 0.450 39.109 38.460 0.333 0.000 1.148 375 Y HN -0.091 nan 8.280 nan 0.000 0.525 376 M N 0.917 120.706 119.600 0.315 0.000 2.219 376 M HA 0.309 4.789 4.480 0.000 0.000 0.353 376 M C 0.644 176.828 176.300 -0.193 0.000 1.304 376 M CA -0.279 55.091 55.300 0.117 0.000 1.115 376 M CB 0.653 33.281 32.600 0.045 0.000 1.664 376 M HN 0.215 nan 8.290 nan 0.000 0.459 377 A N 5.208 127.754 122.820 -0.455 0.000 2.386 377 A HA 0.307 4.627 4.320 0.000 0.000 0.246 377 A C -1.746 175.361 177.584 -0.794 0.000 1.089 377 A CA -1.234 50.077 52.037 -1.210 0.000 0.790 377 A CB -0.423 18.167 19.000 -0.685 0.000 1.042 377 A HN 0.610 nan 8.150 nan 0.000 0.497 378 P HA -0.198 nan 4.420 nan 0.000 0.215 378 P C 1.271 178.397 177.300 -0.289 0.000 1.153 378 P CA 1.704 64.512 63.100 -0.486 0.000 0.853 378 P CB 0.000 31.465 31.700 -0.393 0.000 0.788 379 E N -0.160 119.894 120.200 -0.243 0.000 2.265 379 E HA -0.090 4.260 4.350 0.000 0.000 0.196 379 E C 1.714 178.270 176.600 -0.074 0.000 0.996 379 E CA 1.144 57.469 56.400 -0.125 0.000 0.832 379 E CB -1.219 28.428 29.700 -0.087 0.000 0.756 379 E HN 0.122 nan 8.360 nan 0.000 0.491 380 V N 1.249 121.111 119.914 -0.087 0.000 2.535 380 V HA -0.121 3.999 4.120 0.000 0.000 0.246 380 V C 2.499 178.653 176.094 0.099 0.000 1.045 380 V CA 0.940 63.252 62.300 0.020 0.000 1.058 380 V CB -0.374 31.476 31.823 0.045 0.000 0.689 380 V HN 0.152 nan 8.190 nan 0.000 0.461 381 L N -0.444 120.737 121.223 -0.070 0.000 2.156 381 L HA -0.079 4.261 4.340 0.000 0.000 0.208 381 L C 2.152 179.011 176.870 -0.019 0.000 1.095 381 L CA 1.172 55.864 54.840 -0.247 0.000 0.770 381 L CB -0.503 41.218 42.059 -0.563 0.000 0.914 381 L HN 0.281 nan 8.230 nan 0.000 0.439 382 D N 0.257 120.635 120.400 -0.037 0.000 2.269 382 D HA -0.130 4.510 4.640 0.000 0.000 0.208 382 D C 0.638 176.982 176.300 0.072 0.000 0.963 382 D CA 0.508 54.512 54.000 0.006 0.000 0.864 382 D CB 0.127 40.901 40.800 -0.043 0.000 0.936 382 D HN 0.289 nan 8.370 nan 0.000 0.505 383 E N -2.243 118.018 120.200 0.101 0.000 2.791 383 E HA -0.272 4.079 4.350 0.000 0.000 0.271 383 E C 0.857 177.474 176.600 0.029 0.000 1.044 383 E CA 0.644 57.090 56.400 0.077 0.000 0.814 383 E CB -1.694 28.053 29.700 0.078 0.000 1.400 383 E HN 0.496 nan 8.360 nan 0.000 0.423 384 Q N 0.138 119.943 119.800 0.008 0.000 2.319 384 Q HA 0.344 4.684 4.340 0.000 0.000 0.202 384 Q C 0.749 176.739 176.000 -0.018 0.000 0.896 384 Q CA 0.595 56.393 55.803 -0.008 0.000 0.942 384 Q CB 0.202 28.929 28.738 -0.018 0.000 1.083 384 Q HN 0.514 nan 8.270 nan 0.000 0.510 385 I N 0.617 121.174 120.570 -0.023 0.000 2.634 385 I HA 0.214 4.384 4.170 0.000 0.000 0.284 385 I C 0.243 176.322 176.117 -0.063 0.000 1.124 385 I CA -0.594 60.675 61.300 -0.051 0.000 1.417 385 I CB 1.119 39.074 38.000 -0.074 0.000 1.396 385 I HN 0.242 nan 8.210 nan 0.000 0.571 386 R N 5.098 125.548 120.500 -0.084 0.000 2.248 386 R HA 0.131 4.471 4.340 0.000 0.000 0.337 386 R C 1.010 177.220 176.300 -0.151 0.000 1.106 386 R CA 0.173 56.226 56.100 -0.077 0.000 0.959 386 R CB 0.433 30.706 30.300 -0.045 0.000 1.075 386 R HN 0.843 nan 8.270 nan 0.000 0.480 387 T N -1.004 113.504 114.554 -0.076 0.000 3.160 387 T HA -0.069 4.281 4.350 0.000 0.000 0.257 387 T C 0.489 175.247 174.700 0.097 0.000 1.147 387 T CA 0.562 62.661 62.100 -0.002 0.000 1.064 387 T CB -0.112 68.825 68.868 0.115 0.000 0.949 387 T HN 0.616 nan 8.240 nan 0.000 0.526 388 D N -0.181 120.237 120.400 0.030 0.000 2.501 388 D HA 0.259 4.899 4.640 0.000 0.000 0.226 388 D C -0.237 176.069 176.300 0.011 0.000 1.198 388 D CA -0.798 53.233 54.000 0.052 0.000 0.830 388 D CB -0.728 40.092 40.800 0.034 0.000 1.014 388 D HN 0.363 nan 8.370 nan 0.000 0.496 389 C N 0.292 119.570 119.300 -0.037 0.000 2.364 389 C HA 0.488 4.948 4.460 0.000 0.000 0.324 389 C C 1.047 175.983 174.990 -0.090 0.000 1.234 389 C CA -1.000 57.970 59.018 -0.080 0.000 1.417 389 C CB -0.721 26.963 27.740 -0.094 0.000 2.101 389 C HN 0.372 nan 8.230 nan 0.000 0.466 390 F N 3.908 123.726 119.950 -0.220 0.000 2.146 390 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 390 F C 2.037 177.679 175.800 -0.264 0.000 1.096 390 F CA 2.739 60.652 58.000 -0.145 0.000 1.275 390 F CB -0.343 38.494 39.000 -0.273 0.000 1.008 390 F HN 0.785 nan 8.300 nan 0.000 0.480 391 E N 0.145 120.061 120.200 -0.473 0.000 2.097 391 E HA -0.235 4.115 4.350 0.000 0.000 0.196 391 E C 2.183 178.066 176.600 -1.195 0.000 1.000 391 E CA 1.832 57.651 56.400 -0.969 0.000 0.804 391 E CB -1.442 27.660 29.700 -0.997 0.000 0.740 391 E HN 0.538 nan 8.360 nan 0.000 0.454 392 S N -0.023 115.284 115.700 -0.656 0.000 2.372 392 S HA -0.185 4.285 4.470 0.000 0.000 0.227 392 S C 2.014 176.426 174.600 -0.314 0.000 1.044 392 S CA 1.629 59.665 58.200 -0.274 0.000 1.050 392 S CB -0.554 62.450 63.200 -0.326 0.000 0.901 392 S HN 0.710 nan 8.310 nan 0.000 0.447 393 Y N 1.636 121.738 120.300 -0.330 0.000 2.293 393 Y HA -0.004 4.546 4.550 0.001 0.000 0.291 393 Y C 2.321 178.015 175.900 -0.344 0.000 1.137 393 Y CA 0.585 58.517 58.100 -0.280 0.000 1.202 393 Y CB -0.352 37.917 38.460 -0.318 0.000 0.990 393 Y HN 0.164 nan 8.280 nan 0.000 0.537 394 K N -1.001 119.073 120.400 -0.543 0.000 2.057 394 K HA -0.203 4.117 4.320 0.000 0.000 0.207 394 K C 1.780 178.321 176.600 -0.099 0.000 1.049 394 K CA 1.414 57.349 56.287 -0.586 0.000 0.931 394 K CB -0.367 31.553 32.500 -0.966 0.000 0.714 394 K HN 0.348 nan 8.250 nan 0.000 0.440 395 W N 1.020 122.293 121.300 -0.045 0.000 2.425 395 W HA -0.092 4.568 4.660 -0.001 0.000 0.277 395 W C 2.345 178.947 176.519 0.139 0.000 1.231 395 W CA 1.569 58.945 57.345 0.052 0.000 1.248 395 W CB -1.095 28.377 29.460 0.020 0.000 1.117 395 W HN 0.256 nan 8.180 nan 0.000 0.568 396 T N -2.885 111.854 114.554 0.309 0.000 2.942 396 T HA -0.112 4.238 4.350 0.000 0.000 0.265 396 T C 1.321 176.249 174.700 0.381 0.000 1.062 396 T CA 1.363 63.651 62.100 0.314 0.000 1.139 396 T CB -0.274 68.733 68.868 0.231 0.000 0.883 396 T HN -0.192 nan 8.240 nan 0.000 0.468 397 D N 1.532 122.118 120.400 0.310 0.000 2.123 397 D HA -0.035 4.605 4.640 0.000 0.000 0.196 397 D C 2.103 178.547 176.300 0.240 0.000 0.992 397 D CA 0.754 54.922 54.000 0.280 0.000 0.833 397 D CB -0.217 40.757 40.800 0.289 0.000 0.954 397 D HN 0.322 nan 8.370 nan 0.000 0.455 398 I N 0.369 121.103 120.570 0.273 0.000 2.142 398 I HA -0.230 3.940 4.170 0.000 0.000 0.240 398 I C 2.431 178.771 176.117 0.371 0.000 1.078 398 I CA 0.771 62.209 61.300 0.229 0.000 1.343 398 I CB -1.281 36.863 38.000 0.239 0.000 1.046 398 I HN 0.314 nan 8.210 nan 0.000 0.405 399 W N 2.613 124.088 121.300 0.292 0.000 2.289 399 W HA -0.360 4.301 4.660 0.001 0.000 0.331 399 W C 2.584 179.394 176.519 0.485 0.000 1.283 399 W CA 2.986 60.569 57.345 0.396 0.000 1.252 399 W CB -0.493 29.167 29.460 0.334 0.000 1.153 399 W HN 0.189 nan 8.180 nan 0.000 0.467 400 A N -0.098 123.143 122.820 0.702 0.000 1.978 400 A HA -0.248 4.072 4.320 0.000 0.000 0.220 400 A C 1.929 179.862 177.584 0.582 0.000 1.170 400 A CA 1.742 54.188 52.037 0.682 0.000 0.636 400 A CB -1.521 17.879 19.000 0.667 0.000 0.810 400 A HN 0.472 nan 8.150 nan 0.000 0.448 401 F N 0.927 121.024 119.950 0.244 0.000 2.113 401 F HA 0.003 4.530 4.527 0.001 0.000 0.297 401 F C 2.359 178.248 175.800 0.148 0.000 1.103 401 F CA 1.541 59.597 58.000 0.095 0.000 1.248 401 F CB -0.645 38.202 39.000 -0.256 0.000 0.999 401 F HN 0.230 nan 8.300 nan 0.000 0.475 402 G N 0.879 109.830 108.800 0.250 0.000 2.469 402 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 402 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 402 G C 1.720 176.782 174.900 0.270 0.000 1.150 402 G CA 1.342 46.431 45.100 -0.018 0.000 0.763 402 G HN 0.443 nan 8.290 nan 0.000 0.561 403 L N 0.074 121.565 121.223 0.447 0.000 2.093 403 L HA -0.061 4.280 4.340 0.000 0.000 0.208 403 L C 2.959 180.069 176.870 0.399 0.000 1.085 403 L CA 0.380 55.453 54.840 0.387 0.000 0.755 403 L CB -0.518 41.704 42.059 0.271 0.000 0.904 403 L HN 0.091 nan 8.230 nan 0.000 0.435 404 V N 0.099 120.207 119.914 0.324 0.000 2.427 404 V HA -0.258 3.863 4.120 0.000 0.000 0.248 404 V C 2.436 178.561 176.094 0.051 0.000 1.051 404 V CA 1.397 63.814 62.300 0.195 0.000 1.048 404 V CB -0.310 31.571 31.823 0.096 0.000 0.666 404 V HN 0.337 nan 8.190 nan 0.000 0.456 405 L N -1.510 119.666 121.223 -0.079 0.000 2.012 405 L HA -0.239 4.101 4.340 0.000 0.000 0.210 405 L C 2.334 179.234 176.870 0.050 0.000 1.073 405 L CA 2.396 57.184 54.840 -0.086 0.000 0.748 405 L CB -0.601 41.380 42.059 -0.131 0.000 0.891 405 L HN 0.521 nan 8.230 nan 0.000 0.431 406 W N 1.548 122.840 121.300 -0.013 0.000 2.302 406 W HA -0.288 4.373 4.660 0.001 0.000 0.320 406 W C 2.483 178.990 176.519 -0.020 0.000 1.241 406 W CA 2.230 59.591 57.345 0.027 0.000 1.264 406 W CB -0.175 29.368 29.460 0.139 0.000 1.154 406 W HN 0.131 nan 8.180 nan 0.000 0.483 407 E N -0.243 120.098 120.200 0.235 0.000 2.097 407 E HA -0.273 4.077 4.350 0.000 0.000 0.196 407 E C 2.102 178.655 176.600 -0.078 0.000 1.000 407 E CA 1.956 58.385 56.400 0.048 0.000 0.804 407 E CB -0.549 29.324 29.700 0.288 0.000 0.740 407 E HN 0.417 nan 8.360 nan 0.000 0.454 408 I N 0.913 121.463 120.570 -0.034 0.000 2.233 408 I HA -0.225 3.945 4.170 0.000 0.000 0.243 408 I C 2.594 178.638 176.117 -0.121 0.000 1.093 408 I CA 0.795 62.068 61.300 -0.046 0.000 1.380 408 I CB -0.337 37.646 38.000 -0.028 0.000 1.067 408 I HN 0.073 nan 8.210 nan 0.000 0.413 409 A N 1.024 123.742 122.820 -0.170 0.000 1.883 409 A HA -0.279 4.041 4.320 0.000 0.000 0.217 409 A C 2.427 179.832 177.584 -0.298 0.000 1.186 409 A CA 2.039 53.952 52.037 -0.206 0.000 0.624 409 A CB -0.765 18.114 19.000 -0.201 0.000 0.822 409 A HN 0.374 nan 8.150 nan 0.000 0.444 410 R N -1.114 119.081 120.500 -0.508 0.000 2.139 410 R HA -0.142 4.198 4.340 0.000 0.000 0.243 410 R C 1.821 177.917 176.300 -0.341 0.000 1.145 410 R CA 1.816 57.575 56.100 -0.569 0.000 0.976 410 R CB -0.121 29.605 30.300 -0.957 0.000 0.866 410 R HN 0.300 nan 8.270 nan 0.000 0.449 411 R N -0.043 120.305 120.500 -0.253 0.000 2.359 411 R HA 0.142 4.482 4.340 0.000 0.000 0.231 411 R C -0.722 175.503 176.300 -0.125 0.000 0.913 411 R CA 0.255 56.258 56.100 -0.162 0.000 1.075 411 R CB 0.455 30.694 30.300 -0.103 0.000 1.087 411 R HN 0.046 nan 8.270 nan 0.000 0.515 412 T N 0.957 115.436 114.554 -0.125 0.000 2.845 412 T HA 0.381 4.732 4.350 0.000 0.000 0.288 412 T C 0.231 174.881 174.700 -0.083 0.000 0.980 412 T CA -0.384 61.664 62.100 -0.087 0.000 1.071 412 T CB 1.244 70.067 68.868 -0.076 0.000 0.941 412 T HN 0.037 nan 8.240 nan 0.000 0.487 413 I N 3.326 123.858 120.570 -0.063 0.000 2.312 413 I HA 0.418 4.588 4.170 0.000 0.000 0.291 413 I C -0.373 175.717 176.117 -0.044 0.000 1.031 413 I CA -0.722 60.543 61.300 -0.058 0.000 1.293 413 I CB 0.770 38.738 38.000 -0.053 0.000 1.403 413 I HN 0.208 nan 8.210 nan 0.000 0.484 414 V N 5.805 125.692 119.914 -0.045 0.000 2.735 414 V HA 0.348 4.468 4.120 0.000 0.000 0.310 414 V C 0.433 176.509 176.094 -0.030 0.000 1.061 414 V CA -0.605 61.675 62.300 -0.034 0.000 0.913 414 V CB 1.707 33.509 31.823 -0.035 0.000 1.005 414 V HN 0.857 nan 8.190 nan 0.000 0.428 415 N N 2.608 121.295 118.700 -0.023 0.000 2.758 415 N HA -0.250 4.490 4.740 0.000 0.000 0.245 415 N C 1.085 176.582 175.510 -0.022 0.000 1.059 415 N CA 2.412 55.450 53.050 -0.020 0.000 0.900 415 N CB -1.054 37.422 38.487 -0.019 0.000 1.145 415 N HN 1.585 nan 8.380 nan 0.000 0.590 416 G N -2.758 106.026 108.800 -0.027 0.000 2.284 416 G HA2 0.084 4.044 3.960 0.000 0.000 0.201 416 G HA3 0.084 4.044 3.960 0.000 0.000 0.201 416 G C 0.211 175.091 174.900 -0.034 0.000 0.998 416 G CA 0.431 45.514 45.100 -0.029 0.000 0.651 416 G HN 1.053 nan 8.290 nan 0.000 0.489 417 I N -0.080 120.467 120.570 -0.037 0.000 2.460 417 I HA 0.934 5.104 4.170 0.000 0.000 0.298 417 I C 0.137 176.219 176.117 -0.057 0.000 0.989 417 I CA -0.949 60.325 61.300 -0.043 0.000 1.173 417 I CB 1.667 39.645 38.000 -0.037 0.000 1.338 417 I HN 1.134 nan 8.210 nan 0.000 0.456 418 V N 3.625 123.500 119.914 -0.065 0.000 3.077 418 V HA 0.544 4.664 4.120 0.000 0.000 0.299 418 V C -0.724 175.315 176.094 -0.092 0.000 1.276 418 V CA -0.525 61.722 62.300 -0.087 0.000 0.993 418 V CB 2.169 33.938 31.823 -0.090 0.000 1.076 418 V HN 1.019 nan 8.190 nan 0.000 0.434 419 E N 2.059 122.185 120.200 -0.122 0.000 2.283 419 E HA 0.425 4.775 4.350 0.000 0.000 0.271 419 E C -0.022 176.496 176.600 -0.137 0.000 1.031 419 E CA 0.395 56.718 56.400 -0.128 0.000 0.868 419 E CB 1.491 31.086 29.700 -0.173 0.000 1.094 419 E HN 0.988 nan 8.360 nan 0.000 0.401 420 D N 0.995 121.327 120.400 -0.113 0.000 2.382 420 D HA 0.028 4.669 4.640 0.000 0.000 0.240 420 D C -0.157 176.058 176.300 -0.141 0.000 1.146 420 D CA -0.058 53.885 54.000 -0.094 0.000 0.897 420 D CB 0.182 40.947 40.800 -0.057 0.000 1.197 420 D HN 0.400 nan 8.370 nan 0.000 0.432 421 Y N 0.467 120.643 120.300 -0.206 0.000 2.620 421 Y HA 0.409 4.959 4.550 0.000 0.000 0.330 421 Y C 0.770 176.524 175.900 -0.244 0.000 1.186 421 Y CA 0.941 58.894 58.100 -0.244 0.000 1.467 421 Y CB 0.060 38.368 38.460 -0.252 0.000 1.262 421 Y HN 0.837 nan 8.280 nan 0.000 0.550 422 R N 6.585 126.414 120.500 -1.119 0.000 2.725 422 R HA 0.614 4.955 4.340 0.000 0.000 0.277 422 R C -3.245 172.484 176.300 -0.953 0.000 0.987 422 R CA -1.801 53.732 56.100 -0.945 0.000 0.901 422 R CB 0.502 30.040 30.300 -1.271 0.000 1.207 422 R HN 0.593 nan 8.270 nan 0.000 0.463 423 P HA 0.329 nan 4.420 nan 0.000 0.274 423 P C -2.686 174.640 177.300 0.044 0.000 1.246 423 P CA -1.674 61.425 63.100 -0.001 0.000 0.795 423 P CB 0.214 32.045 31.700 0.218 0.000 1.006 424 P HA 0.011 nan 4.420 nan 0.000 0.265 424 P C -0.199 176.934 177.300 -0.279 0.000 1.187 424 P CA 0.504 63.255 63.100 -0.582 0.000 0.766 424 P CB -0.363 30.966 31.700 -0.618 0.000 0.820 425 F N -0.616 119.112 119.950 -0.369 0.000 3.006 425 F HA -0.281 4.247 4.527 0.000 0.000 0.289 425 F C 1.510 177.253 175.800 -0.094 0.000 0.772 425 F CA 0.900 58.755 58.000 -0.242 0.000 1.162 425 F CB -3.103 35.755 39.000 -0.237 0.000 1.382 425 F HN 0.468 nan 8.300 nan 0.000 0.406 426 Y N 0.519 120.791 120.300 -0.047 0.000 2.298 426 Y HA -0.227 4.323 4.550 0.000 0.000 0.287 426 Y C 1.957 177.868 175.900 0.018 0.000 1.164 426 Y CA 1.439 59.546 58.100 0.012 0.000 1.229 426 Y CB -0.539 37.936 38.460 0.024 0.000 0.977 426 Y HN 0.325 nan 8.280 nan 0.000 0.538 427 D N 0.795 120.862 120.400 -0.554 0.000 2.354 427 D HA -0.061 4.579 4.640 0.000 0.000 0.209 427 D C 1.391 177.564 176.300 -0.212 0.000 1.015 427 D CA 1.072 54.773 54.000 -0.499 0.000 0.867 427 D CB -0.415 39.980 40.800 -0.676 0.000 0.933 427 D HN 0.496 nan 8.370 nan 0.000 0.520 428 V N -2.005 117.837 119.914 -0.120 0.000 3.502 428 V HA 0.317 4.438 4.120 0.000 0.000 0.288 428 V C 0.612 176.677 176.094 -0.049 0.000 1.461 428 V CA 0.130 62.391 62.300 -0.066 0.000 1.029 428 V CB 0.053 31.855 31.823 -0.035 0.000 0.843 428 V HN 0.135 nan 8.190 nan 0.000 0.438 429 V N -2.632 117.267 119.914 -0.024 0.000 3.007 429 V HA 0.811 4.931 4.120 0.000 0.000 0.311 429 V C -2.632 173.469 176.094 0.012 0.000 1.120 429 V CA -1.762 60.525 62.300 -0.022 0.000 0.980 429 V CB 1.800 33.593 31.823 -0.050 0.000 1.033 429 V HN 0.111 nan 8.190 nan 0.000 0.429 430 P HA 0.265 nan 4.420 nan 0.000 0.293 430 P C 0.734 178.067 177.300 0.055 0.000 1.298 430 P CA -0.067 63.053 63.100 0.033 0.000 0.757 430 P CB 0.421 32.135 31.700 0.024 0.000 1.262 431 N N 0.825 119.563 118.700 0.063 0.000 2.007 431 N HA -0.230 4.511 4.740 0.000 0.000 0.197 431 N C 0.530 176.085 175.510 0.075 0.000 1.050 431 N CA 1.771 54.868 53.050 0.078 0.000 0.856 431 N CB -1.532 36.999 38.487 0.073 0.000 1.050 431 N HN 0.451 nan 8.380 nan 0.000 0.423 432 D N 2.212 122.648 120.400 0.061 0.000 3.133 432 D HA 0.255 4.895 4.640 0.000 0.000 0.288 432 D C -2.323 174.010 176.300 0.056 0.000 1.346 432 D CA -2.009 52.029 54.000 0.063 0.000 0.934 432 D CB 0.054 40.887 40.800 0.056 0.000 1.042 432 D HN 0.201 nan 8.370 nan 0.000 0.506 433 P HA -0.062 nan 4.420 nan 0.000 0.261 433 P C -0.173 177.149 177.300 0.036 0.000 1.165 433 P CA 0.156 63.268 63.100 0.021 0.000 0.759 433 P CB 0.602 32.297 31.700 -0.008 0.000 0.772 434 S N 2.300 118.019 115.700 0.032 0.000 2.580 434 S HA 0.120 4.590 4.470 0.000 0.000 0.274 434 S C 0.994 175.642 174.600 0.081 0.000 1.329 434 S CA -0.698 57.544 58.200 0.069 0.000 1.036 434 S CB 0.352 63.588 63.200 0.059 0.000 0.919 434 S HN 0.428 nan 8.310 nan 0.000 0.515 435 F N 2.257 122.198 119.950 -0.015 0.000 2.154 435 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 435 F C 2.599 178.373 175.800 -0.043 0.000 1.087 435 F CA 2.414 60.399 58.000 -0.026 0.000 1.274 435 F CB -0.875 38.117 39.000 -0.013 0.000 1.009 435 F HN 0.849 nan 8.300 nan 0.000 0.485 436 E N 0.043 120.336 120.200 0.155 0.000 2.072 436 E HA -0.189 4.161 4.350 0.000 0.000 0.191 436 E C 1.803 178.360 176.600 -0.072 0.000 0.985 436 E CA 1.516 57.943 56.400 0.044 0.000 0.801 436 E CB -1.069 28.677 29.700 0.078 0.000 0.750 436 E HN 0.517 nan 8.360 nan 0.000 0.452 437 D N -0.087 120.276 120.400 -0.062 0.000 2.123 437 D HA -0.134 4.507 4.640 0.000 0.000 0.196 437 D C 2.013 178.202 176.300 -0.184 0.000 0.992 437 D CA 1.477 55.419 54.000 -0.098 0.000 0.833 437 D CB -0.113 40.647 40.800 -0.067 0.000 0.954 437 D HN 0.293 nan 8.370 nan 0.000 0.455 438 M N 0.496 119.950 119.600 -0.244 0.000 2.156 438 M HA -0.061 4.420 4.480 0.000 0.000 0.264 438 M C 2.072 178.126 176.300 -0.409 0.000 1.067 438 M CA 0.853 55.934 55.300 -0.365 0.000 1.131 438 M CB -0.883 31.500 32.600 -0.362 0.000 1.368 438 M HN -0.035 nan 8.290 nan 0.000 0.416 439 K N 0.825 120.944 120.400 -0.469 0.000 2.044 439 K HA -0.246 4.074 4.320 0.000 0.000 0.210 439 K C 2.126 178.571 176.600 -0.258 0.000 1.049 439 K CA 1.850 57.879 56.287 -0.430 0.000 0.927 439 K CB -0.132 32.116 32.500 -0.419 0.000 0.713 439 K HN 0.241 nan 8.250 nan 0.000 0.443 440 K N 0.305 120.586 120.400 -0.199 0.000 2.026 440 K HA -0.120 4.200 4.320 0.000 0.000 0.208 440 K C 1.960 178.470 176.600 -0.150 0.000 1.048 440 K CA 1.464 57.667 56.287 -0.140 0.000 0.929 440 K CB -0.002 32.435 32.500 -0.105 0.000 0.713 440 K HN -0.005 nan 8.250 nan 0.000 0.439 441 V N 0.562 120.357 119.914 -0.199 0.000 2.323 441 V HA -0.180 3.940 4.120 0.000 0.000 0.244 441 V C 2.254 178.228 176.094 -0.201 0.000 1.041 441 V CA 1.435 63.613 62.300 -0.203 0.000 1.025 441 V CB 0.145 31.794 31.823 -0.290 0.000 0.656 441 V HN 0.194 nan 8.190 nan 0.000 0.451 442 V N -1.575 118.173 119.914 -0.278 0.000 2.535 442 V HA -0.141 3.979 4.120 0.000 0.000 0.246 442 V C 2.207 178.214 176.094 -0.145 0.000 1.045 442 V CA 1.803 63.978 62.300 -0.208 0.000 1.058 442 V CB 0.020 31.665 31.823 -0.297 0.000 0.689 442 V HN 0.617 nan 8.190 nan 0.000 0.461 443 C N -1.321 117.875 119.300 -0.173 0.000 2.587 443 C HA 0.122 4.582 4.460 0.000 0.000 0.287 443 C C 2.615 177.552 174.990 -0.089 0.000 1.374 443 C CA 0.198 59.136 59.018 -0.133 0.000 1.770 443 C CB -0.157 27.490 27.740 -0.156 0.000 2.137 443 C HN 0.351 nan 8.230 nan 0.000 0.550 444 V N 1.852 121.710 119.914 -0.092 0.000 2.270 444 V HA -0.163 3.957 4.120 0.000 0.000 0.245 444 V C 1.783 177.848 176.094 -0.050 0.000 1.043 444 V CA 2.255 64.517 62.300 -0.063 0.000 1.014 444 V CB -0.731 31.055 31.823 -0.062 0.000 0.645 444 V HN 0.450 nan 8.190 nan 0.000 0.447 445 D N -1.052 119.314 120.400 -0.057 0.000 2.347 445 D HA 0.020 4.660 4.640 0.000 0.000 0.213 445 D C 1.331 177.619 176.300 -0.021 0.000 0.985 445 D CA 0.335 54.311 54.000 -0.039 0.000 0.879 445 D CB -0.187 40.585 40.800 -0.047 0.000 0.919 445 D HN 0.385 nan 8.370 nan 0.000 0.526 446 Q N 0.430 120.218 119.800 -0.021 0.000 2.457 446 Q HA -0.195 4.145 4.340 0.000 0.000 0.283 446 Q C -0.729 175.297 176.000 0.043 0.000 1.234 446 Q CA 0.488 56.300 55.803 0.015 0.000 0.877 446 Q CB -1.131 27.620 28.738 0.023 0.000 1.250 446 Q HN 0.251 nan 8.270 nan 0.000 0.481 447 Q N 0.077 119.899 119.800 0.037 0.000 2.299 447 Q HA 0.524 4.864 4.340 0.000 0.000 0.246 447 Q C 0.321 176.389 176.000 0.114 0.000 0.935 447 Q CA 0.788 56.627 55.803 0.061 0.000 0.887 447 Q CB 1.442 30.219 28.738 0.064 0.000 1.223 447 Q HN 0.479 nan 8.270 nan 0.000 0.439 448 T N -1.725 112.800 114.554 -0.048 0.000 2.896 448 T HA 0.580 4.930 4.350 0.000 0.000 0.297 448 T C -2.691 171.614 174.700 -0.659 0.000 1.108 448 T CA -2.231 59.621 62.100 -0.413 0.000 1.004 448 T CB 1.336 69.929 68.868 -0.458 0.000 1.159 448 T HN 0.186 nan 8.240 nan 0.000 0.499 449 P HA 0.170 nan 4.420 nan 0.000 0.264 449 P C 0.382 177.440 177.300 -0.403 0.000 1.193 449 P CA -0.006 62.428 63.100 -1.111 0.000 0.763 449 P CB 0.027 30.572 31.700 -1.926 0.000 0.810 450 T N 1.802 116.279 114.554 -0.128 0.000 2.853 450 T HA 0.223 4.573 4.350 0.000 0.000 0.298 450 T C 0.303 175.170 174.700 0.278 0.000 0.978 450 T CA -0.390 61.756 62.100 0.077 0.000 1.152 450 T CB -0.395 68.514 68.868 0.069 0.000 0.914 450 T HN 0.148 nan 8.240 nan 0.000 0.539 451 I N 5.899 126.628 120.570 0.266 0.000 2.396 451 I HA 0.247 4.417 4.170 0.000 0.000 0.289 451 I C -1.688 174.538 176.117 0.181 0.000 1.056 451 I CA -2.385 59.098 61.300 0.306 0.000 1.365 451 I CB 0.739 38.883 38.000 0.241 0.000 1.407 451 I HN 0.511 nan 8.210 nan 0.000 0.509 452 P HA -0.038 nan 4.420 nan 0.000 0.258 452 P C 0.576 177.902 177.300 0.043 0.000 1.172 452 P CA 0.433 63.566 63.100 0.056 0.000 0.762 452 P CB 0.278 31.962 31.700 -0.026 0.000 0.764 453 N N 3.131 121.855 118.700 0.041 0.000 2.515 453 N HA -0.116 4.624 4.740 0.000 0.000 0.191 453 N C 1.275 176.793 175.510 0.013 0.000 1.182 453 N CA 0.192 53.260 53.050 0.029 0.000 0.879 453 N CB -0.546 37.959 38.487 0.031 0.000 0.984 453 N HN 0.402 nan 8.380 nan 0.000 0.453 454 R N 0.016 120.517 120.500 0.002 0.000 2.788 454 R HA 0.384 4.724 4.340 0.000 0.000 0.264 454 R C 1.239 177.531 176.300 -0.013 0.000 1.267 454 R CA 0.550 56.644 56.100 -0.010 0.000 1.213 454 R CB -0.832 29.454 30.300 -0.022 0.000 1.256 454 R HN 0.398 nan 8.270 nan 0.000 0.556 455 L N -1.260 119.960 121.223 -0.005 0.000 2.433 455 L HA 0.443 4.783 4.340 0.000 0.000 0.200 455 L C 2.345 179.212 176.870 -0.006 0.000 1.059 455 L CA 1.065 55.900 54.840 -0.008 0.000 0.835 455 L CB -1.460 40.598 42.059 -0.001 0.000 1.076 455 L HN 0.411 nan 8.230 nan 0.000 0.481 456 A N 0.192 123.012 122.820 -0.000 0.000 2.019 456 A HA 0.267 4.588 4.320 0.000 0.000 0.219 456 A C 2.057 179.640 177.584 -0.002 0.000 1.164 456 A CA 1.508 53.545 52.037 0.001 0.000 0.644 456 A CB -0.755 18.248 19.000 0.005 0.000 0.805 456 A HN 1.620 nan 8.150 nan 0.000 0.449 457 A N -0.576 122.242 122.820 -0.004 0.000 2.929 457 A HA 0.497 4.817 4.320 0.000 0.000 0.279 457 A C 0.334 177.913 177.584 -0.008 0.000 1.418 457 A CA 0.728 52.762 52.037 -0.005 0.000 1.035 457 A CB -1.441 17.556 19.000 -0.005 0.000 1.047 457 A HN 0.655 nan 8.150 nan 0.000 0.609 458 D N 0.513 120.909 120.400 -0.008 0.000 2.879 458 D HA 0.561 5.201 4.640 0.000 0.000 0.236 458 D C -1.951 174.344 176.300 -0.008 0.000 1.171 458 D CA -1.014 52.980 54.000 -0.010 0.000 0.868 458 D CB 1.536 42.327 40.800 -0.015 0.000 1.598 458 D HN 0.091 nan 8.370 nan 0.000 0.497 459 P HA 0.079 nan 4.420 nan 0.000 0.228 459 P C 1.106 178.402 177.300 -0.007 0.000 1.166 459 P CA 0.613 63.710 63.100 -0.006 0.000 0.812 459 P CB 0.675 32.373 31.700 -0.003 0.000 0.857 460 V N -0.592 119.316 119.914 -0.009 0.000 2.908 460 V HA 0.060 4.180 4.120 0.000 0.000 0.240 460 V C 2.918 179.002 176.094 -0.017 0.000 1.117 460 V CA 1.204 63.497 62.300 -0.012 0.000 1.133 460 V CB -1.090 30.727 31.823 -0.010 0.000 0.857 460 V HN -0.084 nan 8.190 nan 0.000 0.478 461 L N 0.700 121.912 121.223 -0.018 0.000 2.492 461 L HA 0.093 4.434 4.340 0.000 0.000 0.223 461 L C 2.609 179.463 176.870 -0.027 0.000 1.132 461 L CA 1.832 56.657 54.840 -0.025 0.000 0.850 461 L CB -1.678 40.363 42.059 -0.030 0.000 0.966 461 L HN 0.561 nan 8.230 nan 0.000 0.454 462 S N -0.250 115.438 115.700 -0.020 0.000 2.400 462 S HA -0.101 4.370 4.470 0.000 0.000 0.232 462 S C 2.186 176.773 174.600 -0.023 0.000 1.025 462 S CA 1.381 59.570 58.200 -0.018 0.000 0.993 462 S CB -0.991 62.202 63.200 -0.011 0.000 0.808 462 S HN 0.868 nan 8.310 nan 0.000 0.478 463 G N 1.524 110.309 108.800 -0.025 0.000 2.464 463 G HA2 0.144 4.104 3.960 0.000 0.000 0.217 463 G HA3 0.144 4.104 3.960 0.000 0.000 0.217 463 G C 1.371 176.245 174.900 -0.044 0.000 1.138 463 G CA 0.378 45.461 45.100 -0.029 0.000 0.793 463 G HN 0.492 nan 8.290 nan 0.000 0.539 464 L N 0.704 121.900 121.223 -0.046 0.000 2.079 464 L HA -0.130 4.211 4.340 0.000 0.000 0.210 464 L C 3.366 180.179 176.870 -0.095 0.000 1.081 464 L CA 1.119 55.922 54.840 -0.062 0.000 0.752 464 L CB -0.540 41.488 42.059 -0.052 0.000 0.896 464 L HN 0.309 nan 8.230 nan 0.000 0.433 465 A N -0.226 122.551 122.820 -0.072 0.000 1.908 465 A HA -0.290 4.031 4.320 0.000 0.000 0.218 465 A C 2.241 179.759 177.584 -0.109 0.000 1.181 465 A CA 1.962 53.956 52.037 -0.073 0.000 0.627 465 A CB -0.520 18.465 19.000 -0.026 0.000 0.818 465 A HN 0.385 nan 8.150 nan 0.000 0.445 466 Q N -0.623 119.127 119.800 -0.084 0.000 2.079 466 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 466 Q C 1.995 177.901 176.000 -0.156 0.000 0.974 466 Q CA 1.962 57.714 55.803 -0.085 0.000 0.840 466 Q CB -0.394 28.318 28.738 -0.042 0.000 0.898 466 Q HN 0.670 nan 8.270 nan 0.000 0.430 467 M N -1.085 118.418 119.600 -0.161 0.000 2.175 467 M HA -0.145 4.335 4.480 0.000 0.000 0.264 467 M C 2.083 178.169 176.300 -0.356 0.000 1.063 467 M CA 1.306 56.486 55.300 -0.200 0.000 1.119 467 M CB -0.105 32.423 32.600 -0.120 0.000 1.377 467 M HN 0.323 nan 8.290 nan 0.000 0.415 468 M N -0.557 118.774 119.600 -0.447 0.000 2.065 468 M HA -0.275 4.205 4.480 0.000 0.000 0.259 468 M C 2.131 177.750 176.300 -1.135 0.000 1.069 468 M CA 1.919 56.669 55.300 -0.917 0.000 1.110 468 M CB -0.331 31.767 32.600 -0.836 0.000 1.328 468 M HN 0.157 nan 8.290 nan 0.000 0.405 469 R N -0.121 120.022 120.500 -0.596 0.000 2.105 469 R HA -0.171 4.169 4.340 0.000 0.000 0.239 469 R C 1.664 177.590 176.300 -0.624 0.000 1.135 469 R CA 1.483 57.375 56.100 -0.347 0.000 0.967 469 R CB -0.435 29.805 30.300 -0.100 0.000 0.861 469 R HN 0.556 nan 8.270 nan 0.000 0.442 470 E N -0.519 119.272 120.200 -0.682 0.000 2.481 470 E HA -0.044 4.306 4.350 0.000 0.000 0.195 470 E C 1.373 177.602 176.600 -0.617 0.000 1.047 470 E CA 0.173 56.017 56.400 -0.927 0.000 0.867 470 E CB 0.224 29.655 29.700 -0.447 0.000 0.858 470 E HN 0.341 nan 8.360 nan 0.000 0.513 471 C N 0.001 118.989 119.300 -0.519 0.000 2.634 471 C HA 0.045 4.505 4.460 0.000 0.000 0.268 471 C C 1.112 176.089 174.990 -0.022 0.000 1.322 471 C CA -0.380 58.470 59.018 -0.281 0.000 1.737 471 C CB -0.583 26.930 27.740 -0.379 0.000 1.976 471 C HN 0.577 nan 8.230 nan 0.000 0.547 472 W N -0.762 120.424 121.300 -0.190 0.000 3.123 472 W HA 0.379 5.039 4.660 -0.000 0.000 0.383 472 W C -0.065 176.602 176.519 0.247 0.000 1.102 472 W CA -1.286 56.029 57.345 -0.049 0.000 1.865 472 W CB -1.248 28.039 29.460 -0.288 0.000 1.111 472 W HN 0.223 nan 8.180 nan 0.000 0.621 473 Y N 2.650 123.144 120.300 0.322 0.000 2.620 473 Y HA 0.048 4.599 4.550 0.001 0.000 0.330 473 Y C -0.836 175.194 175.900 0.217 0.000 1.186 473 Y CA -2.308 55.916 58.100 0.206 0.000 1.467 473 Y CB -0.433 38.077 38.460 0.083 0.000 1.262 473 Y HN -0.152 nan 8.280 nan 0.000 0.550 474 P HA -0.183 nan 4.420 nan 0.000 0.216 474 P C 0.156 177.494 177.300 0.063 0.000 1.150 474 P CA 1.406 64.606 63.100 0.168 0.000 0.837 474 P CB 0.147 31.909 31.700 0.104 0.000 0.786 475 N N -0.197 118.523 118.700 0.033 0.000 2.402 475 N HA 0.042 4.782 4.740 0.000 0.000 0.252 475 N C -1.753 173.676 175.510 -0.135 0.000 1.118 475 N CA -1.302 51.707 53.050 -0.068 0.000 0.945 475 N CB 0.969 39.400 38.487 -0.093 0.000 1.147 475 N HN -0.099 nan 8.380 nan 0.000 0.495 476 P HA -0.166 nan 4.420 nan 0.000 0.216 476 P C 1.196 177.861 177.300 -1.059 0.000 1.150 476 P CA 1.357 64.203 63.100 -0.423 0.000 0.843 476 P CB 0.113 31.629 31.700 -0.305 0.000 0.787 477 S N -1.095 113.935 115.700 -1.117 0.000 2.515 477 S HA 0.077 4.548 4.470 0.000 0.000 0.231 477 S C 1.923 176.258 174.600 -0.442 0.000 0.987 477 S CA 0.718 58.225 58.200 -1.154 0.000 0.936 477 S CB -0.981 61.794 63.200 -0.709 0.000 0.766 477 S HN 0.118 nan 8.310 nan 0.000 0.528 478 A N 1.439 124.108 122.820 -0.252 0.000 2.167 478 A HA 0.190 4.510 4.320 0.000 0.000 0.214 478 A C 1.252 178.948 177.584 0.186 0.000 1.151 478 A CA -0.074 51.963 52.037 -0.000 0.000 0.735 478 A CB -0.199 18.803 19.000 0.004 0.000 0.802 478 A HN 0.469 nan 8.150 nan 0.000 0.467 479 R N -0.495 120.030 120.500 0.042 0.000 2.615 479 R HA 0.457 4.798 4.340 0.000 0.000 0.270 479 R C -0.400 175.953 176.300 0.089 0.000 1.081 479 R CA -0.522 55.620 56.100 0.070 0.000 1.154 479 R CB 0.454 30.799 30.300 0.076 0.000 1.063 479 R HN 0.310 nan 8.270 nan 0.000 0.519 480 L N 1.309 122.552 121.223 0.034 0.000 2.483 480 L HA 0.054 4.395 4.340 0.000 0.000 0.275 480 L C 1.126 178.045 176.870 0.081 0.000 1.220 480 L CA 0.069 54.930 54.840 0.035 0.000 0.833 480 L CB 0.405 42.437 42.059 -0.045 0.000 1.102 480 L HN 0.773 nan 8.230 nan 0.000 0.490 481 T N -1.019 113.580 114.554 0.075 0.000 2.874 481 T HA 0.382 4.732 4.350 0.000 0.000 0.281 481 T C 1.024 175.685 174.700 -0.065 0.000 0.994 481 T CA -0.236 61.906 62.100 0.070 0.000 1.015 481 T CB 1.571 70.489 68.868 0.084 0.000 1.028 481 T HN 0.638 nan 8.240 nan 0.000 0.523 482 A N 0.704 123.450 122.820 -0.122 0.000 1.930 482 A HA 0.047 4.367 4.320 0.000 0.000 0.217 482 A C 2.145 179.594 177.584 -0.225 0.000 1.175 482 A CA 1.119 52.961 52.037 -0.324 0.000 0.627 482 A CB -1.003 17.697 19.000 -0.501 0.000 0.815 482 A HN 0.748 nan 8.150 nan 0.000 0.443 483 L N -0.308 120.847 121.223 -0.113 0.000 2.012 483 L HA -0.136 4.204 4.340 0.000 0.000 0.210 483 L C 2.459 179.291 176.870 -0.063 0.000 1.073 483 L CA 2.375 57.174 54.840 -0.068 0.000 0.748 483 L CB -0.675 41.372 42.059 -0.021 0.000 0.891 483 L HN 0.431 nan 8.230 nan 0.000 0.431 484 R N -0.620 119.849 120.500 -0.051 0.000 2.096 484 R HA -0.104 4.236 4.340 0.000 0.000 0.235 484 R C 2.213 178.474 176.300 -0.065 0.000 1.127 484 R CA 1.615 57.693 56.100 -0.038 0.000 0.968 484 R CB -0.377 29.915 30.300 -0.014 0.000 0.861 484 R HN 0.444 nan 8.270 nan 0.000 0.440 485 I N 0.408 120.907 120.570 -0.117 0.000 2.163 485 I HA -0.293 3.877 4.170 0.000 0.000 0.240 485 I C 2.458 178.511 176.117 -0.106 0.000 1.081 485 I CA 1.377 62.593 61.300 -0.139 0.000 1.353 485 I CB -0.407 37.425 38.000 -0.281 0.000 1.054 485 I HN 0.223 nan 8.210 nan 0.000 0.407 486 K N 1.538 121.859 120.400 -0.131 0.000 2.032 486 K HA -0.291 4.029 4.320 0.000 0.000 0.218 486 K C 2.154 178.729 176.600 -0.041 0.000 1.054 486 K CA 2.063 58.304 56.287 -0.076 0.000 0.941 486 K CB -0.088 32.365 32.500 -0.078 0.000 0.720 486 K HN 0.215 nan 8.250 nan 0.000 0.449 487 K N -0.417 119.960 120.400 -0.038 0.000 2.032 487 K HA -0.106 4.214 4.320 0.000 0.000 0.209 487 K C 2.099 178.687 176.600 -0.019 0.000 1.048 487 K CA 2.021 58.295 56.287 -0.021 0.000 0.927 487 K CB -0.266 32.225 32.500 -0.015 0.000 0.712 487 K HN 0.232 nan 8.250 nan 0.000 0.441 488 T N 1.772 116.311 114.554 -0.024 0.000 2.822 488 T HA -0.117 4.233 4.350 0.000 0.000 0.270 488 T C 1.596 176.285 174.700 -0.018 0.000 1.064 488 T CA 1.024 63.111 62.100 -0.021 0.000 1.131 488 T CB -0.059 68.793 68.868 -0.026 0.000 0.858 488 T HN 0.151 nan 8.240 nan 0.000 0.483 489 L N -0.222 120.990 121.223 -0.018 0.000 2.529 489 L HA 0.177 4.518 4.340 0.000 0.000 0.223 489 L C 2.065 178.926 176.870 -0.016 0.000 1.113 489 L CA 0.638 55.470 54.840 -0.013 0.000 0.861 489 L CB -0.076 41.983 42.059 0.000 0.000 1.012 489 L HN 0.186 nan 8.230 nan 0.000 0.461 490 Q N -0.619 119.173 119.800 -0.014 0.000 2.247 490 Q HA 0.046 4.386 4.340 0.000 0.000 0.204 490 Q C 1.506 177.499 176.000 -0.011 0.000 0.872 490 Q CA -0.006 55.790 55.803 -0.012 0.000 0.951 490 Q CB 0.586 29.320 28.738 -0.007 0.000 1.099 490 Q HN 0.341 nan 8.270 nan 0.000 0.501 491 K N 0.455 120.847 120.400 -0.012 0.000 2.005 491 K HA 0.019 4.339 4.320 0.000 0.000 0.206 491 K C 1.464 178.054 176.600 -0.016 0.000 1.044 491 K CA 1.123 57.404 56.287 -0.011 0.000 0.942 491 K CB -0.457 32.037 32.500 -0.010 0.000 0.727 491 K HN 0.193 nan 8.250 nan 0.000 0.439 492 I N 0.000 120.558 120.570 -0.019 0.000 2.984 492 I HA 0.000 4.170 4.170 0.000 0.000 0.288 492 I CA 0.000 61.286 61.300 -0.024 0.000 1.566 492 I CB 0.000 37.985 38.000 -0.025 0.000 1.214 492 I HN 0.000 nan 8.210 nan 0.000 0.494