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 1rq5_1_A DATA FIRST_RESID 208 DATA SEQUENCE ILPQPDVRVN QVGYLPEGKK VATVVCNSTQ PVKWQLKNAA GVVVLEGYTE DATA SEQUENCE PKGLDKDSQD YVHWLDFSDF ATEGIGYYFE LPTVNSPTNY SHPFDIRKDI DATA SEQUENCE YTQMKYDALA FFYHKRSGIP IEMPYAGGEQ WTRPAGHIGI EPNKGDTNVP DATA SEQUENCE TWPQDDEYAG IPQKNYTKDV TGGWYDAGDH GKYVVNGGIA VWTLMNMYER DATA SEQUENCE AKIRGLDNWG PYRDGGMNIP EQNNGYPDIL DEARWEIEFF KKMQVTEKED DATA SEQUENCE PSIAGMVHHK IHDFRWTALG MLPHEDPQPR YLRPVSTAAT LNFAATLAQS DATA SEQUENCE ARLWKDYDPT FAADCLEKAE IAWQAALKHP DIYAEYTPGS GGPGGGPYND DATA SEQUENCE DYVGDEFYWA ACELYVTTGK DEYKNYLMNS PHYLEMPAKM GXXXXXXGED DATA SEQUENCE NGLWGCFTWG TTQGLGTITL ALVENGLPAT DIQKARNNIA KAADRWLENI DATA SEQUENCE EEQGYRLPIK QAEDERGGYP WGSNSFILNQ MIVMGYAYDF TGDSKYLDGM DATA SEQUENCE FDGISYLLGR NAMDQSYVTG YGERPLQNPH DRFWTPQTSK RFPAPPPGII DATA SEQUENCE SGGPNSRFED PTINAAVKKD TPPQKCFIDH TDSWGTNQIT VNWNAPFAWV DATA SEQUENCE TAYLDEQY 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 208 I HA 0.000 nan 4.170 nan 0.000 0.288 208 I C 0.000 176.141 176.117 0.040 0.000 1.063 208 I CA 0.000 61.316 61.300 0.026 0.000 1.566 208 I CB 0.000 38.013 38.000 0.021 0.000 1.214 209 L N 9.447 130.702 121.223 0.054 0.000 2.265 209 L HA 0.611 4.950 4.340 -0.001 0.000 0.288 209 L C -1.570 175.350 176.870 0.084 0.000 1.058 209 L CA -1.303 53.590 54.840 0.088 0.000 0.809 209 L CB 0.670 42.805 42.059 0.126 0.000 1.179 209 L HN 0.545 nan 8.230 nan 0.000 0.429 210 P HA -0.189 nan 4.420 nan 0.000 0.216 210 P C -0.807 176.504 177.300 0.018 0.000 1.154 210 P CA 0.809 63.940 63.100 0.053 0.000 0.865 210 P CB 0.061 31.811 31.700 0.084 0.000 0.789 211 Q N -2.927 116.885 119.800 0.020 0.000 2.150 211 Q HA -0.067 4.273 4.340 -0.001 0.000 0.295 211 Q C -2.542 173.360 176.000 -0.163 0.000 1.014 211 Q CA -0.567 55.233 55.803 -0.005 0.000 0.616 211 Q CB -1.248 27.495 28.738 0.007 0.000 0.797 211 Q HN 0.174 nan 8.270 nan 0.000 0.323 212 P HA -0.042 nan 4.420 nan 0.000 0.266 212 P C 0.220 177.336 177.300 -0.307 0.000 1.195 212 P CA -0.026 62.736 63.100 -0.563 0.000 0.768 212 P CB 0.554 31.934 31.700 -0.533 0.000 0.838 213 D N 0.750 120.939 120.400 -0.352 0.000 2.219 213 D HA -0.048 4.591 4.640 -0.001 0.000 0.205 213 D C 0.325 176.568 176.300 -0.095 0.000 0.970 213 D CA 1.143 55.043 54.000 -0.166 0.000 0.851 213 D CB 0.041 40.755 40.800 -0.144 0.000 0.943 213 D HN 0.089 nan 8.370 nan 0.000 0.488 214 V N 3.234 123.091 119.914 -0.096 0.000 2.318 214 V HA 0.196 4.315 4.120 -0.001 0.000 0.271 214 V C 0.236 176.353 176.094 0.040 0.000 1.030 214 V CA -0.709 61.571 62.300 -0.033 0.000 0.844 214 V CB 1.074 32.904 31.823 0.011 0.000 1.015 214 V HN -0.078 nan 8.190 nan 0.000 0.460 215 R N 3.972 124.513 120.500 0.068 0.000 2.265 215 R HA 0.582 4.922 4.340 -0.001 0.000 0.314 215 R C -0.180 176.212 176.300 0.152 0.000 1.053 215 R CA -0.080 56.113 56.100 0.155 0.000 0.931 215 R CB 1.377 31.827 30.300 0.249 0.000 1.024 215 R HN 0.646 nan 8.270 nan 0.000 0.457 216 V N -0.530 119.494 119.914 0.183 0.000 3.156 216 V HA 0.509 4.628 4.120 -0.001 0.000 0.310 216 V C -0.036 176.120 176.094 0.103 0.000 1.234 216 V CA -1.330 61.077 62.300 0.179 0.000 1.065 216 V CB 2.266 34.170 31.823 0.136 0.000 1.088 216 V HN 0.652 nan 8.190 nan 0.000 0.451 217 N N 0.993 119.688 118.700 -0.009 0.000 2.420 217 N HA 0.153 4.893 4.740 -0.001 0.000 0.262 217 N C 0.722 176.178 175.510 -0.090 0.000 1.144 217 N CA 0.439 53.370 53.050 -0.199 0.000 0.952 217 N CB 1.459 39.539 38.487 -0.679 0.000 1.081 217 N HN 0.832 nan 8.380 nan 0.000 0.480 218 Q N 2.087 121.867 119.800 -0.033 0.000 2.170 218 Q HA -0.114 4.226 4.340 -0.001 0.000 0.203 218 Q C 1.594 177.641 176.000 0.079 0.000 0.976 218 Q CA 1.134 56.949 55.803 0.021 0.000 0.858 218 Q CB 0.276 28.956 28.738 -0.096 0.000 0.907 218 Q HN 0.591 nan 8.270 nan 0.000 0.433 219 V N -1.051 118.891 119.914 0.047 0.000 2.300 219 V HA 0.206 4.325 4.120 -0.001 0.000 0.241 219 V C 0.720 176.863 176.094 0.080 0.000 1.034 219 V CA 1.905 64.246 62.300 0.069 0.000 1.021 219 V CB 0.601 32.452 31.823 0.047 0.000 0.662 219 V HN 0.461 nan 8.190 nan 0.000 0.458 220 G N -2.264 106.518 108.800 -0.029 0.000 2.327 220 G HA2 0.320 4.280 3.960 -0.001 0.000 0.291 220 G HA3 0.320 4.280 3.960 -0.001 0.000 0.291 220 G C -2.172 172.624 174.900 -0.173 0.000 1.290 220 G CA -0.403 44.793 45.100 0.160 0.000 0.857 220 G HN 0.196 nan 8.290 nan 0.000 0.520 221 Y N -0.716 119.730 120.300 0.243 0.000 2.499 221 Y HA 0.661 5.210 4.550 -0.001 0.000 0.347 221 Y C 0.605 176.545 175.900 0.066 0.000 0.987 221 Y CA -0.870 57.300 58.100 0.117 0.000 1.044 221 Y CB 2.101 40.676 38.460 0.192 0.000 1.245 221 Y HN 0.452 nan 8.280 nan 0.000 0.461 222 L N 5.266 126.540 121.223 0.085 0.000 2.416 222 L HA 0.140 4.479 4.340 -0.001 0.000 0.272 222 L C -1.151 175.785 176.870 0.110 0.000 1.161 222 L CA -1.491 53.378 54.840 0.048 0.000 0.845 222 L CB 0.931 42.948 42.059 -0.070 0.000 1.119 222 L HN 0.520 nan 8.230 nan 0.000 0.464 223 P HA -0.232 nan 4.420 nan 0.000 0.220 223 P C 0.211 177.559 177.300 0.080 0.000 1.155 223 P CA 1.449 64.607 63.100 0.098 0.000 0.880 223 P CB 0.296 32.033 31.700 0.061 0.000 0.790 224 E N -0.314 119.945 120.200 0.099 0.000 2.165 224 E HA 0.575 4.925 4.350 -0.001 0.000 0.266 224 E C -0.286 176.451 176.600 0.229 0.000 0.889 224 E CA -0.396 56.077 56.400 0.121 0.000 0.756 224 E CB 1.156 30.920 29.700 0.107 0.000 1.131 224 E HN 0.298 nan 8.360 nan 0.000 0.411 225 G N 2.938 111.862 108.800 0.206 0.000 2.347 225 G HA2 0.015 3.975 3.960 -0.001 0.000 0.321 225 G HA3 0.015 3.975 3.960 -0.001 0.000 0.321 225 G C -1.288 173.722 174.900 0.183 0.000 1.412 225 G CA -0.868 44.430 45.100 0.329 0.000 0.990 225 G HN 0.570 nan 8.290 nan 0.000 0.637 226 K N 0.236 120.734 120.400 0.163 0.000 2.489 226 K HA 0.436 4.755 4.320 -0.001 0.000 0.278 226 K C -0.338 176.222 176.600 -0.066 0.000 1.000 226 K CA 0.488 56.776 56.287 0.003 0.000 1.012 226 K CB 0.151 32.634 32.500 -0.028 0.000 0.903 226 K HN 0.429 nan 8.250 nan 0.000 0.485 227 K N 3.465 123.641 120.400 -0.374 0.000 2.690 227 K HA 0.272 4.592 4.320 -0.001 0.000 0.243 227 K C -1.708 174.353 176.600 -0.897 0.000 0.982 227 K CA -0.764 55.045 56.287 -0.798 0.000 0.955 227 K CB 1.901 33.451 32.500 -1.583 0.000 1.185 227 K HN 0.207 nan 8.250 nan 0.000 0.467 228 V N 2.017 121.693 119.914 -0.397 0.000 2.409 228 V HA 0.521 4.640 4.120 -0.001 0.000 0.290 228 V C 0.145 176.209 176.094 -0.051 0.000 1.017 228 V CA -0.946 61.213 62.300 -0.235 0.000 0.841 228 V CB 1.260 32.873 31.823 -0.350 0.000 1.003 228 V HN 0.859 nan 8.190 nan 0.000 0.426 229 A N 3.693 126.547 122.820 0.057 0.000 2.259 229 A HA 0.814 5.133 4.320 -0.001 0.000 0.278 229 A C 0.320 177.884 177.584 -0.035 0.000 1.107 229 A CA -0.243 51.799 52.037 0.008 0.000 0.828 229 A CB 0.647 19.508 19.000 -0.232 0.000 1.111 229 A HN 0.684 nan 8.150 nan 0.000 0.498 230 T N 0.205 114.749 114.554 -0.017 0.000 2.841 230 T HA 0.522 4.871 4.350 -0.001 0.000 0.285 230 T C -0.654 173.999 174.700 -0.078 0.000 0.991 230 T CA -0.248 61.825 62.100 -0.044 0.000 0.966 230 T CB 1.117 69.852 68.868 -0.221 0.000 0.962 230 T HN 0.485 nan 8.240 nan 0.000 0.438 231 V N 3.140 123.004 119.914 -0.083 0.000 2.713 231 V HA 0.491 4.610 4.120 -0.001 0.000 0.307 231 V C 0.052 176.064 176.094 -0.136 0.000 1.052 231 V CA -0.846 61.399 62.300 -0.092 0.000 0.967 231 V CB 2.036 33.821 31.823 -0.063 0.000 1.019 231 V HN 0.646 nan 8.190 nan 0.000 0.459 232 V N 2.187 122.041 119.914 -0.099 0.000 2.304 232 V HA 0.264 4.384 4.120 -0.001 0.000 0.262 232 V C -0.166 175.850 176.094 -0.130 0.000 1.061 232 V CA -0.065 62.180 62.300 -0.090 0.000 0.872 232 V CB 0.569 32.374 31.823 -0.028 0.000 1.077 232 V HN 0.971 nan 8.190 nan 0.000 0.480 233 C N 6.753 125.895 119.300 -0.264 0.000 2.919 233 C HA 0.294 4.754 4.460 -0.001 0.000 0.337 233 C C 1.566 176.413 174.990 -0.239 0.000 1.039 233 C CA -1.073 57.776 59.018 -0.281 0.000 1.373 233 C CB 0.426 27.959 27.740 -0.345 0.000 1.843 233 C HN 0.924 nan 8.230 nan 0.000 0.493 234 N N 1.178 119.875 118.700 -0.005 0.000 2.364 234 N HA -0.106 4.633 4.740 -0.001 0.000 0.183 234 N C 0.958 176.413 175.510 -0.092 0.000 1.022 234 N CA 0.940 53.996 53.050 0.009 0.000 0.883 234 N CB -0.257 38.316 38.487 0.144 0.000 0.965 234 N HN 0.575 nan 8.380 nan 0.000 0.438 235 S N 0.528 116.236 115.700 0.013 0.000 3.150 235 S HA -0.034 4.436 4.470 -0.001 0.000 0.252 235 S C 0.011 174.695 174.600 0.140 0.000 1.061 235 S CA 0.123 58.364 58.200 0.067 0.000 1.201 235 S CB -1.346 61.913 63.200 0.099 0.000 0.905 235 S HN 0.298 nan 8.310 nan 0.000 0.498 236 T N 3.349 117.969 114.554 0.109 0.000 2.393 236 T HA -0.041 4.308 4.350 -0.001 0.000 0.225 236 T C 0.080 174.771 174.700 -0.015 0.000 1.123 236 T CA 0.912 63.075 62.100 0.105 0.000 1.701 236 T CB -0.493 68.360 68.868 -0.025 0.000 1.100 236 T HN 0.542 nan 8.240 nan 0.000 0.472 237 Q N 3.429 123.176 119.800 -0.088 0.000 3.293 237 Q HA 0.163 4.502 4.340 -0.001 0.000 0.169 237 Q C -2.948 172.991 176.000 -0.102 0.000 0.959 237 Q CA -0.815 54.939 55.803 -0.082 0.000 1.272 237 Q CB 0.677 29.402 28.738 -0.022 0.000 1.677 237 Q HN 0.165 nan 8.270 nan 0.000 0.616 238 P HA -0.085 nan 4.420 nan 0.000 0.249 238 P C -0.527 176.893 177.300 0.200 0.000 1.140 238 P CA 0.445 63.547 63.100 0.003 0.000 0.803 238 P CB 0.033 31.763 31.700 0.049 0.000 0.745 239 V N 1.335 121.349 119.914 0.167 0.000 2.612 239 V HA 0.446 4.566 4.120 -0.001 0.000 0.301 239 V C 0.282 176.357 176.094 -0.031 0.000 1.046 239 V CA -1.210 61.182 62.300 0.153 0.000 0.946 239 V CB 1.776 33.684 31.823 0.143 0.000 1.003 239 V HN 0.259 nan 8.190 nan 0.000 0.459 240 K N 4.699 124.888 120.400 -0.352 0.000 2.350 240 K HA 0.289 4.609 4.320 -0.001 0.000 0.279 240 K C -0.411 176.033 176.600 -0.260 0.000 1.027 240 K CA -0.445 55.348 56.287 -0.824 0.000 0.969 240 K CB 0.555 32.569 32.500 -0.810 0.000 0.954 240 K HN 0.929 nan 8.250 nan 0.000 0.474 241 W N 2.805 123.917 121.300 -0.314 0.000 2.967 241 W HA 0.409 5.068 4.660 -0.001 0.000 0.342 241 W C -1.651 174.823 176.519 -0.076 0.000 1.162 241 W CA -1.045 56.225 57.345 -0.125 0.000 1.085 241 W CB 0.680 30.080 29.460 -0.100 0.000 1.460 241 W HN 0.622 nan 8.180 nan 0.000 0.584 242 Q N 1.511 121.663 119.800 0.586 0.000 2.476 242 Q HA 0.350 4.689 4.340 -0.001 0.000 0.236 242 Q C -2.226 173.994 176.000 0.365 0.000 0.844 242 Q CA -0.852 55.166 55.803 0.358 0.000 0.972 242 Q CB 1.495 30.264 28.738 0.052 0.000 1.498 242 Q HN 0.481 nan 8.270 nan 0.000 0.454 243 L N 2.666 124.100 121.223 0.351 0.000 2.433 243 L HA 0.361 4.701 4.340 -0.001 0.000 0.275 243 L C -0.977 175.690 176.870 -0.338 0.000 1.128 243 L CA 0.928 55.633 54.840 -0.224 0.000 0.875 243 L CB 0.356 42.121 42.059 -0.489 0.000 1.171 243 L HN 0.606 nan 8.230 nan 0.000 0.463 244 K N 4.475 124.582 120.400 -0.490 0.000 2.259 244 K HA 0.378 4.697 4.320 -0.001 0.000 0.249 244 K C -0.364 175.945 176.600 -0.485 0.000 0.942 244 K CA -0.695 55.293 56.287 -0.497 0.000 0.816 244 K CB 1.437 33.541 32.500 -0.659 0.000 1.155 244 K HN 0.812 nan 8.250 nan 0.000 0.428 245 N N 0.227 118.802 118.700 -0.209 0.000 2.364 245 N HA 0.153 4.892 4.740 -0.001 0.000 0.264 245 N C 0.878 176.269 175.510 -0.198 0.000 1.263 245 N CA -0.437 52.564 53.050 -0.081 0.000 0.959 245 N CB 0.776 39.282 38.487 0.032 0.000 1.204 245 N HN 0.461 nan 8.380 nan 0.000 0.550 246 A N -0.001 122.723 122.820 -0.160 0.000 1.986 246 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 246 A C 2.257 179.869 177.584 0.046 0.000 1.171 246 A CA 1.916 53.941 52.037 -0.020 0.000 0.640 246 A CB -1.371 17.579 19.000 -0.083 0.000 0.811 246 A HN 0.830 nan 8.150 nan 0.000 0.451 247 A N -2.404 120.413 122.820 -0.005 0.000 2.066 247 A HA 0.351 4.670 4.320 -0.001 0.000 0.218 247 A C 2.050 179.655 177.584 0.035 0.000 1.157 247 A CA 1.689 53.733 52.037 0.012 0.000 0.670 247 A CB -0.624 18.373 19.000 -0.004 0.000 0.804 247 A HN 1.818 nan 8.150 nan 0.000 0.453 248 G N -2.460 106.353 108.800 0.022 0.000 2.316 248 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.203 248 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.203 248 G C 0.236 175.123 174.900 -0.022 0.000 0.999 248 G CA -0.106 45.018 45.100 0.041 0.000 0.649 248 G HN 0.768 nan 8.290 nan 0.000 0.489 249 V N 2.163 122.060 119.914 -0.027 0.000 2.673 249 V HA 0.279 4.399 4.120 -0.001 0.000 0.303 249 V C 1.367 177.427 176.094 -0.057 0.000 1.046 249 V CA 0.054 62.338 62.300 -0.026 0.000 1.126 249 V CB 1.613 33.431 31.823 -0.008 0.000 0.934 249 V HN 0.340 nan 8.190 nan 0.000 0.487 250 V N 6.470 126.356 119.914 -0.046 0.000 2.364 250 V HA 0.010 4.129 4.120 -0.001 0.000 0.252 250 V C 1.046 177.110 176.094 -0.051 0.000 1.075 250 V CA 0.439 62.701 62.300 -0.063 0.000 1.033 250 V CB 0.843 32.638 31.823 -0.047 0.000 1.116 250 V HN 0.869 nan 8.190 nan 0.000 0.488 251 V N 3.248 123.117 119.914 -0.074 0.000 3.630 251 V HA 0.417 4.537 4.120 -0.001 0.000 0.273 251 V C 0.118 176.189 176.094 -0.040 0.000 1.248 251 V CA 0.519 62.802 62.300 -0.028 0.000 1.170 251 V CB -0.209 31.614 31.823 0.001 0.000 0.899 251 V HN 0.547 nan 8.190 nan 0.000 0.457 252 L N 0.345 121.526 121.223 -0.070 0.000 3.055 252 L HA 0.631 4.970 4.340 -0.001 0.000 0.260 252 L C -1.331 175.507 176.870 -0.053 0.000 0.986 252 L CA -0.049 54.781 54.840 -0.017 0.000 1.009 252 L CB 1.943 43.997 42.059 -0.009 0.000 1.508 252 L HN 0.668 nan 8.230 nan 0.000 0.407 253 E N 1.298 121.347 120.200 -0.252 0.000 2.432 253 E HA 0.834 5.184 4.350 -0.001 0.000 0.279 253 E C -0.818 175.016 176.600 -1.276 0.000 1.099 253 E CA -0.560 55.364 56.400 -0.793 0.000 0.859 253 E CB 1.566 31.005 29.700 -0.436 0.000 1.402 253 E HN 1.154 nan 8.360 nan 0.000 0.451 254 G N -0.615 107.140 108.800 -1.742 0.000 2.360 254 G HA2 0.339 4.299 3.960 -0.001 0.000 0.276 254 G HA3 0.339 4.299 3.960 -0.001 0.000 0.276 254 G C -2.131 172.079 174.900 -1.150 0.000 1.256 254 G CA -0.727 43.704 45.100 -1.115 0.000 0.890 254 G HN 0.334 nan 8.290 nan 0.000 0.486 255 Y N -0.024 120.061 120.300 -0.357 0.000 2.602 255 Y HA 0.691 5.240 4.550 -0.001 0.000 0.342 255 Y C 1.083 177.220 175.900 0.396 0.000 1.029 255 Y CA -0.029 58.071 58.100 0.001 0.000 1.080 255 Y CB 2.083 40.531 38.460 -0.021 0.000 1.284 255 Y HN 0.798 nan 8.280 nan 0.000 0.485 256 T N -1.790 113.020 114.554 0.426 0.000 2.847 256 T HA 0.438 4.788 4.350 -0.001 0.000 0.279 256 T C -0.506 174.269 174.700 0.125 0.000 0.984 256 T CA -0.896 61.381 62.100 0.295 0.000 0.988 256 T CB 0.847 69.857 68.868 0.237 0.000 1.040 256 T HN 0.575 nan 8.240 nan 0.000 0.528 257 E N 2.026 122.285 120.200 0.098 0.000 2.102 257 E HA 0.288 4.637 4.350 -0.001 0.000 0.263 257 E C -2.677 173.842 176.600 -0.134 0.000 0.894 257 E CA -2.214 54.188 56.400 0.004 0.000 0.746 257 E CB 1.416 31.187 29.700 0.118 0.000 1.129 257 E HN 0.463 nan 8.360 nan 0.000 0.416 258 P HA -0.031 nan 4.420 nan 0.000 0.265 258 P C 0.130 177.345 177.300 -0.143 0.000 1.222 258 P CA 0.074 63.046 63.100 -0.213 0.000 0.767 258 P CB 0.638 32.166 31.700 -0.287 0.000 0.801 259 K N 2.385 122.715 120.400 -0.117 0.000 2.391 259 K HA 0.282 4.601 4.320 -0.001 0.000 0.197 259 K C 1.226 177.751 176.600 -0.125 0.000 1.087 259 K CA 0.520 56.627 56.287 -0.301 0.000 1.012 259 K CB 0.173 32.288 32.500 -0.640 0.000 0.925 259 K HN 0.724 nan 8.250 nan 0.000 0.547 260 G N 1.831 110.634 108.800 0.005 0.000 2.568 260 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.222 260 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.222 260 G C -0.887 174.122 174.900 0.181 0.000 1.321 260 G CA -0.341 44.816 45.100 0.096 0.000 0.893 260 G HN 0.180 nan 8.290 nan 0.000 0.569 261 L N 1.182 122.561 121.223 0.259 0.000 2.500 261 L HA 0.524 4.864 4.340 -0.001 0.000 0.272 261 L C 0.345 177.228 176.870 0.021 0.000 1.149 261 L CA 0.356 55.264 54.840 0.113 0.000 0.897 261 L CB 0.541 42.661 42.059 0.100 0.000 1.178 261 L HN 0.716 nan 8.230 nan 0.000 0.473 262 D N 3.604 123.998 120.400 -0.010 0.000 2.316 262 D HA 0.077 4.717 4.640 -0.001 0.000 0.245 262 D C 1.079 177.390 176.300 0.018 0.000 1.171 262 D CA -0.131 53.883 54.000 0.023 0.000 0.856 262 D CB 1.091 41.929 40.800 0.063 0.000 1.090 262 D HN 0.602 nan 8.370 nan 0.000 0.476 263 K N 2.843 123.257 120.400 0.023 0.000 2.089 263 K HA -0.228 4.091 4.320 -0.001 0.000 0.210 263 K C 0.489 177.092 176.600 0.004 0.000 1.048 263 K CA 1.822 58.117 56.287 0.014 0.000 0.926 263 K CB 0.161 32.678 32.500 0.028 0.000 0.714 263 K HN 0.462 nan 8.250 nan 0.000 0.448 264 D N -0.723 119.693 120.400 0.026 0.000 2.234 264 D HA -0.067 4.573 4.640 -0.001 0.000 0.205 264 D C 1.611 177.857 176.300 -0.089 0.000 0.962 264 D CA 1.319 55.298 54.000 -0.036 0.000 0.855 264 D CB 0.282 41.102 40.800 0.033 0.000 0.951 264 D HN 0.355 nan 8.370 nan 0.000 0.500 265 S N -0.895 114.807 115.700 0.003 0.000 2.559 265 S HA 0.024 4.493 4.470 -0.001 0.000 0.226 265 S C 0.413 175.003 174.600 -0.016 0.000 1.000 265 S CA -0.331 57.870 58.200 0.001 0.000 0.948 265 S CB 0.538 63.829 63.200 0.151 0.000 0.870 265 S HN -0.183 nan 8.310 nan 0.000 0.497 266 Q N 1.840 121.613 119.800 -0.046 0.000 2.439 266 Q HA -0.125 4.214 4.340 -0.001 0.000 0.325 266 Q C -1.318 174.586 176.000 -0.160 0.000 1.372 266 Q CA 1.079 56.813 55.803 -0.115 0.000 0.909 266 Q CB -2.246 26.430 28.738 -0.103 0.000 1.167 266 Q HN 0.700 nan 8.270 nan 0.000 0.418 267 D N -0.377 119.945 120.400 -0.129 0.000 2.738 267 D HA 0.330 4.970 4.640 -0.001 0.000 0.237 267 D C -0.213 175.985 176.300 -0.170 0.000 1.123 267 D CA -0.497 53.425 54.000 -0.129 0.000 0.856 267 D CB 0.768 41.599 40.800 0.051 0.000 1.552 267 D HN 0.084 nan 8.370 nan 0.000 0.480 268 Y N 0.734 121.002 120.300 -0.053 0.000 2.365 268 Y HA 0.340 4.890 4.550 -0.001 0.000 0.340 268 Y C 0.760 176.541 175.900 -0.199 0.000 1.016 268 Y CA -0.570 57.471 58.100 -0.098 0.000 1.196 268 Y CB 1.131 39.540 38.460 -0.086 0.000 1.167 268 Y HN 0.097 nan 8.280 nan 0.000 0.509 269 V N 0.849 120.723 119.914 -0.067 0.000 3.102 269 V HA 0.654 4.774 4.120 -0.001 0.000 0.312 269 V C -1.088 174.904 176.094 -0.171 0.000 1.135 269 V CA -0.799 61.366 62.300 -0.225 0.000 1.022 269 V CB 2.329 34.020 31.823 -0.220 0.000 1.056 269 V HN 0.641 nan 8.190 nan 0.000 0.436 270 H N 0.332 119.351 119.070 -0.085 0.000 2.797 270 H HA 0.607 5.162 4.556 -0.001 0.000 0.372 270 H C -1.401 173.947 175.328 0.033 0.000 1.168 270 H CA -0.875 55.122 56.048 -0.085 0.000 1.163 270 H CB 1.577 31.332 29.762 -0.013 0.000 1.778 270 H HN 0.767 nan 8.280 nan 0.000 0.551 271 W N 1.471 122.807 121.300 0.060 0.000 2.448 271 W HA 0.421 5.080 4.660 -0.001 0.000 0.339 271 W C -0.018 176.468 176.519 -0.055 0.000 1.124 271 W CA -0.747 56.581 57.345 -0.028 0.000 1.262 271 W CB 0.766 30.216 29.460 -0.016 0.000 1.251 271 W HN 0.276 nan 8.180 nan 0.000 0.597 272 L N 4.086 125.339 121.223 0.051 0.000 2.433 272 L HA 0.217 4.556 4.340 -0.001 0.000 0.256 272 L C -0.290 176.486 176.870 -0.156 0.000 1.063 272 L CA -0.306 54.393 54.840 -0.235 0.000 0.922 272 L CB 0.286 41.937 42.059 -0.680 0.000 1.238 272 L HN 0.191 nan 8.230 nan 0.000 0.466 273 D N 3.903 124.308 120.400 0.009 0.000 2.343 273 D HA 0.085 4.724 4.640 -0.001 0.000 0.255 273 D C -0.149 176.222 176.300 0.118 0.000 1.187 273 D CA 0.075 54.084 54.000 0.014 0.000 0.875 273 D CB 0.704 41.535 40.800 0.053 0.000 1.136 273 D HN 0.461 nan 8.370 nan 0.000 0.469 274 F N 1.112 120.986 119.950 -0.127 0.000 2.790 274 F HA 0.324 4.851 4.527 -0.001 0.000 0.371 274 F C 1.166 177.006 175.800 0.067 0.000 1.293 274 F CA -0.775 57.224 58.000 -0.001 0.000 1.205 274 F CB -0.202 38.752 39.000 -0.075 0.000 1.047 274 F HN 0.052 nan 8.300 nan 0.000 0.510 275 S N 0.496 116.083 115.700 -0.187 0.000 2.399 275 S HA -0.197 4.273 4.470 -0.001 0.000 0.231 275 S C 1.341 175.954 174.600 0.021 0.000 1.022 275 S CA 1.900 60.007 58.200 -0.156 0.000 0.983 275 S CB -0.263 62.875 63.200 -0.104 0.000 0.803 275 S HN 0.490 nan 8.310 nan 0.000 0.480 276 D N 0.524 120.990 120.400 0.111 0.000 2.123 276 D HA -0.012 4.628 4.640 -0.001 0.000 0.196 276 D C 0.452 176.857 176.300 0.174 0.000 0.992 276 D CA 0.622 54.706 54.000 0.140 0.000 0.833 276 D CB -0.265 40.639 40.800 0.174 0.000 0.954 276 D HN 0.334 nan 8.370 nan 0.000 0.455 277 F N -0.018 120.002 119.950 0.116 0.000 2.572 277 F HA 0.277 4.804 4.527 -0.001 0.000 0.370 277 F C 0.508 176.349 175.800 0.070 0.000 1.103 277 F CA -0.052 58.011 58.000 0.105 0.000 1.286 277 F CB 0.693 39.791 39.000 0.164 0.000 1.105 277 F HN -0.090 nan 8.300 nan 0.000 0.583 278 A N 3.689 126.105 122.820 -0.675 0.000 2.816 278 A HA 0.262 4.582 4.320 -0.001 0.000 0.208 278 A C -0.389 176.890 177.584 -0.508 0.000 0.896 278 A CA -0.309 51.494 52.037 -0.390 0.000 1.183 278 A CB -0.583 18.330 19.000 -0.145 0.000 1.249 278 A HN 0.565 nan 8.150 nan 0.000 0.484 279 T N 2.039 115.980 114.554 -1.023 0.000 2.743 279 T HA 0.316 4.666 4.350 -0.001 0.000 0.292 279 T C 0.004 174.706 174.700 0.002 0.000 0.972 279 T CA -0.295 61.521 62.100 -0.472 0.000 0.967 279 T CB 0.777 69.362 68.868 -0.472 0.000 0.926 279 T HN 0.503 nan 8.240 nan 0.000 0.459 280 E N 1.880 122.128 120.200 0.081 0.000 2.467 280 E HA 0.398 4.747 4.350 -0.001 0.000 0.264 280 E C 0.600 177.346 176.600 0.242 0.000 1.020 280 E CA -0.059 56.449 56.400 0.179 0.000 0.945 280 E CB 0.518 30.271 29.700 0.089 0.000 0.942 280 E HN 0.860 nan 8.360 nan 0.000 0.449 281 G N 1.169 110.066 108.800 0.161 0.000 2.325 281 G HA2 0.309 4.268 3.960 -0.001 0.000 0.297 281 G HA3 0.309 4.268 3.960 -0.001 0.000 0.297 281 G C -1.602 173.082 174.900 -0.360 0.000 1.448 281 G CA -0.939 44.071 45.100 -0.150 0.000 0.838 281 G HN 0.258 nan 8.290 nan 0.000 0.579 282 I N 0.904 121.221 120.570 -0.422 0.000 2.433 282 I HA 0.686 4.855 4.170 -0.001 0.000 0.292 282 I C 1.209 177.069 176.117 -0.428 0.000 1.001 282 I CA 0.115 61.218 61.300 -0.330 0.000 1.119 282 I CB 0.466 38.367 38.000 -0.165 0.000 1.289 282 I HN 1.978 nan 8.210 nan 0.000 0.438 283 G N 4.790 113.377 108.800 -0.354 0.000 2.144 283 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 283 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 283 G C -0.007 174.729 174.900 -0.274 0.000 0.988 283 G CA -0.490 44.469 45.100 -0.235 0.000 0.659 283 G HN 0.577 nan 8.290 nan 0.000 0.522 284 Y N 0.280 120.300 120.300 -0.468 0.000 2.632 284 Y HA 0.389 4.938 4.550 -0.001 0.000 0.329 284 Y C 0.844 176.360 175.900 -0.639 0.000 1.174 284 Y CA 0.198 57.836 58.100 -0.770 0.000 1.469 284 Y CB 0.210 37.940 38.460 -1.217 0.000 1.242 284 Y HN 0.467 nan 8.280 nan 0.000 0.540 285 Y N 1.745 121.905 120.300 -0.233 0.000 2.396 285 Y HA 0.552 5.101 4.550 -0.001 0.000 0.332 285 Y C -1.481 174.374 175.900 -0.075 0.000 1.034 285 Y CA -2.585 55.489 58.100 -0.043 0.000 1.057 285 Y CB -0.068 38.416 38.460 0.040 0.000 1.220 285 Y HN 0.323 nan 8.280 nan 0.000 0.440 286 F N 2.371 122.467 119.950 0.243 0.000 2.472 286 F HA 0.488 5.014 4.527 -0.001 0.000 0.312 286 F C 0.718 176.673 175.800 0.259 0.000 1.256 286 F CA 0.248 58.314 58.000 0.111 0.000 1.275 286 F CB 0.644 39.625 39.000 -0.032 0.000 1.228 286 F HN 0.762 nan 8.300 nan 0.000 0.567 287 E N -0.123 120.340 120.200 0.439 0.000 2.416 287 E HA 0.512 4.861 4.350 -0.001 0.000 0.280 287 E C -1.997 174.762 176.600 0.264 0.000 1.055 287 E CA -0.679 55.929 56.400 0.346 0.000 0.825 287 E CB 1.491 31.378 29.700 0.312 0.000 1.312 287 E HN 0.541 nan 8.360 nan 0.000 0.452 288 L N 3.552 124.893 121.223 0.197 0.000 2.481 288 L HA 0.341 4.680 4.340 -0.001 0.000 0.255 288 L C -2.185 174.741 176.870 0.094 0.000 1.192 288 L CA -1.584 53.336 54.840 0.134 0.000 0.924 288 L CB 1.408 43.538 42.059 0.119 0.000 1.179 288 L HN 0.400 nan 8.230 nan 0.000 0.491 289 P HA -0.162 nan 4.420 nan 0.000 0.217 289 P C 1.401 178.724 177.300 0.038 0.000 1.148 289 P CA 1.416 64.545 63.100 0.048 0.000 0.834 289 P CB 0.292 32.005 31.700 0.022 0.000 0.783 290 T N -1.037 113.535 114.554 0.029 0.000 2.896 290 T HA 0.005 4.355 4.350 -0.001 0.000 0.263 290 T C 0.789 175.515 174.700 0.045 0.000 1.050 290 T CA 0.428 62.549 62.100 0.034 0.000 1.140 290 T CB -0.510 68.378 68.868 0.034 0.000 0.877 290 T HN -0.138 nan 8.240 nan 0.000 0.457 291 V N 4.883 124.829 119.914 0.053 0.000 2.529 291 V HA 0.040 4.160 4.120 -0.001 0.000 0.292 291 V C 1.099 177.224 176.094 0.052 0.000 1.028 291 V CA -0.434 61.898 62.300 0.055 0.000 1.074 291 V CB 0.351 32.210 31.823 0.060 0.000 0.958 291 V HN 0.587 nan 8.190 nan 0.000 0.481 292 N N 2.242 120.968 118.700 0.044 0.000 2.375 292 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 292 N C 0.139 175.673 175.510 0.039 0.000 1.170 292 N CA -0.172 52.901 53.050 0.040 0.000 0.833 292 N CB 0.283 38.789 38.487 0.032 0.000 1.069 292 N HN 0.520 nan 8.380 nan 0.000 0.479 293 S N 1.976 117.702 115.700 0.044 0.000 2.585 293 S HA 0.289 4.759 4.470 -0.001 0.000 0.277 293 S C -1.362 173.274 174.600 0.060 0.000 1.241 293 S CA -1.037 57.185 58.200 0.036 0.000 1.041 293 S CB 2.006 65.214 63.200 0.013 0.000 0.987 293 S HN 0.199 nan 8.310 nan 0.000 0.512 294 P HA 0.026 nan 4.420 nan 0.000 0.241 294 P C 0.479 177.883 177.300 0.173 0.000 1.191 294 P CA 0.709 63.865 63.100 0.094 0.000 0.771 294 P CB -0.210 31.528 31.700 0.063 0.000 0.929 295 T N -2.952 111.635 114.554 0.054 0.000 3.355 295 T HA 0.096 4.446 4.350 -0.001 0.000 0.276 295 T C 0.460 174.913 174.700 -0.413 0.000 1.003 295 T CA -0.726 61.239 62.100 -0.225 0.000 0.943 295 T CB -1.283 67.406 68.868 -0.299 0.000 1.158 295 T HN -0.009 nan 8.240 nan 0.000 0.513 296 N N 2.424 121.130 118.700 0.010 0.000 2.971 296 N HA 0.210 4.949 4.740 -0.001 0.000 0.294 296 N C -0.387 175.257 175.510 0.224 0.000 1.210 296 N CA -0.440 52.649 53.050 0.065 0.000 1.157 296 N CB -0.860 37.703 38.487 0.126 0.000 1.450 296 N HN 0.804 nan 8.380 nan 0.000 0.527 297 Y N -2.359 117.975 120.300 0.057 0.000 2.965 297 Y HA 0.554 5.104 4.550 -0.001 0.000 0.341 297 Y C -1.116 174.840 175.900 0.093 0.000 1.443 297 Y CA -1.404 56.760 58.100 0.106 0.000 1.101 297 Y CB 0.048 38.551 38.460 0.071 0.000 1.969 297 Y HN 0.163 nan 8.280 nan 0.000 0.419 298 S N -0.477 115.484 115.700 0.435 0.000 2.599 298 S HA 0.537 5.006 4.470 -0.001 0.000 0.287 298 S C -1.421 173.415 174.600 0.393 0.000 1.105 298 S CA -0.917 57.479 58.200 0.327 0.000 0.899 298 S CB 1.515 64.997 63.200 0.471 0.000 1.100 298 S HN 0.807 nan 8.310 nan 0.000 0.482 299 H N 1.006 120.285 119.070 0.348 0.000 2.757 299 H HA 0.259 4.815 4.556 -0.001 0.000 0.370 299 H C -2.382 173.154 175.328 0.346 0.000 1.172 299 H CA -0.545 55.676 56.048 0.289 0.000 1.426 299 H CB -0.082 29.803 29.762 0.205 0.000 1.438 299 H HN 0.417 nan 8.280 nan 0.000 0.612 300 P HA 0.019 nan 4.420 nan 0.000 0.268 300 P C -0.612 176.905 177.300 0.362 0.000 1.205 300 P CA 0.423 63.700 63.100 0.296 0.000 0.771 300 P CB 0.246 32.035 31.700 0.148 0.000 0.858 301 F N 0.106 120.166 119.950 0.184 0.000 2.726 301 F HA 0.740 5.266 4.527 -0.001 0.000 0.324 301 F C -1.263 174.648 175.800 0.186 0.000 1.140 301 F CA -1.069 57.042 58.000 0.186 0.000 0.964 301 F CB 1.211 40.372 39.000 0.268 0.000 1.399 301 F HN 0.049 nan 8.300 nan 0.000 0.491 302 D N 0.799 121.412 120.400 0.355 0.000 2.423 302 D HA 0.594 5.233 4.640 -0.001 0.000 0.235 302 D C -0.881 175.704 176.300 0.476 0.000 1.011 302 D CA -0.147 53.986 54.000 0.223 0.000 0.963 302 D CB 2.744 43.618 40.800 0.122 0.000 1.349 302 D HN 0.625 nan 8.370 nan 0.000 0.508 303 I N 1.665 122.470 120.570 0.391 0.000 2.563 303 I HA 0.317 4.487 4.170 -0.001 0.000 0.276 303 I C -0.217 176.047 176.117 0.246 0.000 1.074 303 I CA -0.525 61.025 61.300 0.417 0.000 1.124 303 I CB 0.592 38.905 38.000 0.521 0.000 1.225 303 I HN 0.182 nan 8.210 nan 0.000 0.482 304 R N 3.029 123.631 120.500 0.170 0.000 2.795 304 R HA 0.596 4.935 4.340 -0.001 0.000 0.268 304 R C -0.292 176.059 176.300 0.084 0.000 1.041 304 R CA -1.066 55.098 56.100 0.107 0.000 0.927 304 R CB 1.719 32.065 30.300 0.077 0.000 1.235 304 R HN 0.066 nan 8.270 nan 0.000 0.463 305 K N 0.119 120.562 120.400 0.072 0.000 2.167 305 K HA -0.059 4.261 4.320 -0.001 0.000 0.203 305 K C 0.095 176.741 176.600 0.077 0.000 1.052 305 K CA 1.477 57.808 56.287 0.074 0.000 0.956 305 K CB 0.030 32.572 32.500 0.071 0.000 0.735 305 K HN 0.623 nan 8.250 nan 0.000 0.451 306 D N 0.947 121.386 120.400 0.065 0.000 3.057 306 D HA -0.006 4.634 4.640 -0.001 0.000 0.246 306 D C 0.818 177.124 176.300 0.010 0.000 1.238 306 D CA -0.039 54.003 54.000 0.069 0.000 0.949 306 D CB 0.108 40.957 40.800 0.081 0.000 1.086 306 D HN -0.052 nan 8.370 nan 0.000 0.487 307 I N -0.356 120.166 120.570 -0.081 0.000 2.333 307 I HA -0.140 4.029 4.170 -0.001 0.000 0.246 307 I C 0.912 176.744 176.117 -0.475 0.000 1.106 307 I CA 0.902 61.999 61.300 -0.338 0.000 1.411 307 I CB -0.519 37.100 38.000 -0.635 0.000 1.082 307 I HN 0.174 nan 8.210 nan 0.000 0.420 308 Y N 0.136 120.442 120.300 0.009 0.000 2.555 308 Y HA 0.141 4.691 4.550 -0.001 0.000 0.259 308 Y C 2.209 178.109 175.900 -0.000 0.000 1.179 308 Y CA -0.108 57.970 58.100 -0.036 0.000 1.230 308 Y CB -0.471 37.951 38.460 -0.063 0.000 1.146 308 Y HN -0.030 nan 8.280 nan 0.000 0.526 309 T N -0.163 114.481 114.554 0.151 0.000 2.674 309 T HA -0.242 4.107 4.350 -0.001 0.000 0.265 309 T C 1.870 176.679 174.700 0.182 0.000 1.039 309 T CA 1.910 64.110 62.100 0.167 0.000 1.150 309 T CB -0.045 68.929 68.868 0.177 0.000 0.864 309 T HN 0.241 nan 8.240 nan 0.000 0.427 310 Q N 0.613 120.535 119.800 0.202 0.000 2.163 310 Q HA 0.196 4.535 4.340 -0.001 0.000 0.198 310 Q C 2.145 178.289 176.000 0.239 0.000 0.954 310 Q CA 1.108 57.075 55.803 0.274 0.000 0.851 310 Q CB -0.467 28.411 28.738 0.233 0.000 0.928 310 Q HN 0.477 nan 8.270 nan 0.000 0.459 311 M N 0.426 120.118 119.600 0.153 0.000 2.267 311 M HA -0.229 4.251 4.480 -0.001 0.000 0.263 311 M C 1.606 177.871 176.300 -0.058 0.000 1.063 311 M CA 1.942 57.247 55.300 0.009 0.000 1.090 311 M CB -0.095 32.358 32.600 -0.246 0.000 1.392 311 M HN 0.280 nan 8.290 nan 0.000 0.422 312 K N -1.263 119.075 120.400 -0.104 0.000 2.103 312 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 312 K C 1.400 177.848 176.600 -0.253 0.000 1.052 312 K CA 1.433 57.568 56.287 -0.254 0.000 0.945 312 K CB -0.675 31.605 32.500 -0.367 0.000 0.722 312 K HN 0.342 nan 8.250 nan 0.000 0.443 313 Y N 2.429 122.700 120.300 -0.049 0.000 2.184 313 Y HA -0.135 4.414 4.550 -0.001 0.000 0.290 313 Y C 2.078 178.002 175.900 0.040 0.000 1.129 313 Y CA 1.179 59.258 58.100 -0.035 0.000 1.144 313 Y CB -0.229 38.205 38.460 -0.043 0.000 0.995 313 Y HN 0.087 nan 8.280 nan 0.000 0.513 314 D N 0.193 120.728 120.400 0.225 0.000 2.149 314 D HA -0.251 4.389 4.640 -0.001 0.000 0.194 314 D C 2.228 178.655 176.300 0.211 0.000 1.001 314 D CA 1.594 55.717 54.000 0.205 0.000 0.849 314 D CB -0.553 40.391 40.800 0.240 0.000 0.939 314 D HN 0.385 nan 8.370 nan 0.000 0.449 315 A N 0.525 123.456 122.820 0.184 0.000 1.902 315 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 315 A C 2.403 180.178 177.584 0.318 0.000 1.181 315 A CA 0.907 53.085 52.037 0.236 0.000 0.623 315 A CB -0.695 18.360 19.000 0.091 0.000 0.818 315 A HN 0.224 nan 8.150 nan 0.000 0.443 316 L N -1.016 120.365 121.223 0.265 0.000 2.313 316 L HA -0.052 4.288 4.340 -0.001 0.000 0.214 316 L C 2.892 180.006 176.870 0.407 0.000 1.119 316 L CA 0.613 55.672 54.840 0.365 0.000 0.809 316 L CB -0.340 41.798 42.059 0.132 0.000 0.933 316 L HN 0.430 nan 8.230 nan 0.000 0.449 317 A N -0.063 122.939 122.820 0.303 0.000 2.015 317 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 317 A C 2.101 179.881 177.584 0.327 0.000 1.163 317 A CA 0.945 53.142 52.037 0.267 0.000 0.646 317 A CB -0.722 18.407 19.000 0.215 0.000 0.806 317 A HN 0.442 nan 8.150 nan 0.000 0.448 318 F N -0.030 120.009 119.950 0.148 0.000 2.154 318 F HA -0.226 4.301 4.527 -0.001 0.000 0.301 318 F C 1.640 177.347 175.800 -0.155 0.000 1.087 318 F CA 1.779 59.781 58.000 0.004 0.000 1.274 318 F CB -0.334 38.529 39.000 -0.228 0.000 1.009 318 F HN 0.234 nan 8.300 nan 0.000 0.485 319 F N -1.371 118.577 119.950 -0.003 0.000 2.259 319 F HA -0.115 4.411 4.527 -0.001 0.000 0.298 319 F C 2.210 177.898 175.800 -0.187 0.000 1.088 319 F CA 1.351 59.139 58.000 -0.354 0.000 1.358 319 F CB -1.185 37.564 39.000 -0.419 0.000 1.040 319 F HN 0.102 nan 8.300 nan 0.000 0.505 320 Y N 0.050 120.348 120.300 -0.004 0.000 2.220 320 Y HA -0.193 4.356 4.550 -0.001 0.000 0.291 320 Y C 2.659 178.477 175.900 -0.137 0.000 1.129 320 Y CA 1.594 59.620 58.100 -0.123 0.000 1.161 320 Y CB -0.852 37.502 38.460 -0.176 0.000 0.997 320 Y HN 0.043 nan 8.280 nan 0.000 0.522 321 H N 0.482 119.403 119.070 -0.249 0.000 2.387 321 H HA -0.065 4.490 4.556 -0.001 0.000 0.299 321 H C 1.463 176.658 175.328 -0.221 0.000 1.099 321 H CA 1.599 57.524 56.048 -0.205 0.000 1.315 321 H CB 0.128 29.946 29.762 0.093 0.000 1.380 321 H HN 0.295 nan 8.280 nan 0.000 0.513 322 K N 1.290 121.564 120.400 -0.209 0.000 2.458 322 K HA 0.070 4.389 4.320 -0.001 0.000 0.194 322 K C 0.434 177.060 176.600 0.044 0.000 1.024 322 K CA -0.092 56.118 56.287 -0.130 0.000 1.108 322 K CB 0.436 32.678 32.500 -0.429 0.000 0.846 322 K HN 0.189 nan 8.250 nan 0.000 0.518 323 R N 1.253 121.715 120.500 -0.063 0.000 2.537 323 R HA 0.052 4.391 4.340 -0.001 0.000 0.280 323 R C 0.350 176.608 176.300 -0.071 0.000 1.058 323 R CA 0.229 56.273 56.100 -0.093 0.000 1.057 323 R CB 0.762 30.737 30.300 -0.542 0.000 0.973 323 R HN -0.078 nan 8.270 nan 0.000 0.438 324 S N 0.704 116.357 115.700 -0.080 0.000 2.608 324 S HA 0.485 4.955 4.470 -0.001 0.000 0.291 324 S C 0.794 175.497 174.600 0.171 0.000 1.146 324 S CA 0.340 58.438 58.200 -0.170 0.000 1.043 324 S CB 1.529 64.318 63.200 -0.685 0.000 1.037 324 S HN 0.841 nan 8.310 nan 0.000 0.520 325 G N 2.144 111.042 108.800 0.163 0.000 2.143 325 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.248 325 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.248 325 G C -0.141 174.919 174.900 0.267 0.000 0.991 325 G CA 0.520 45.736 45.100 0.194 0.000 0.689 325 G HN 1.098 nan 8.290 nan 0.000 0.522 326 I N -0.649 120.058 120.570 0.229 0.000 2.775 326 I HA 0.508 4.677 4.170 -0.001 0.000 0.295 326 I C -2.614 173.555 176.117 0.086 0.000 1.287 326 I CA -2.625 58.788 61.300 0.189 0.000 1.029 326 I CB 2.271 40.394 38.000 0.205 0.000 1.282 326 I HN -0.110 nan 8.210 nan 0.000 0.426 327 P HA 0.253 nan 4.420 nan 0.000 0.275 327 P C -0.988 176.371 177.300 0.098 0.000 1.228 327 P CA -0.261 62.884 63.100 0.076 0.000 0.786 327 P CB 0.403 32.153 31.700 0.083 0.000 0.927 328 I N 3.039 123.669 120.570 0.100 0.000 2.291 328 I HA 0.252 4.421 4.170 -0.001 0.000 0.290 328 I C 0.790 177.066 176.117 0.265 0.000 1.050 328 I CA -0.158 61.227 61.300 0.142 0.000 1.245 328 I CB -0.285 37.799 38.000 0.141 0.000 1.405 328 I HN 0.385 nan 8.210 nan 0.000 0.478 329 E N 4.742 125.164 120.200 0.371 0.000 2.264 329 E HA 0.525 4.875 4.350 -0.001 0.000 0.260 329 E C -0.417 176.307 176.600 0.206 0.000 0.961 329 E CA -1.181 55.378 56.400 0.264 0.000 0.834 329 E CB 1.593 31.429 29.700 0.227 0.000 1.230 329 E HN 0.253 nan 8.360 nan 0.000 0.412 330 M N 1.460 121.100 119.600 0.066 0.000 2.243 330 M HA 0.133 4.612 4.480 -0.001 0.000 0.341 330 M C -1.895 174.221 176.300 -0.306 0.000 1.130 330 M CA -1.177 54.102 55.300 -0.036 0.000 1.162 330 M CB -0.178 32.405 32.600 -0.029 0.000 1.497 330 M HN 0.466 nan 8.290 nan 0.000 0.456 331 P HA -0.228 nan 4.420 nan 0.000 0.535 331 P C 0.559 177.714 177.300 -0.241 0.000 0.517 331 P CA 0.885 63.761 63.100 -0.373 0.000 2.509 331 P CB -1.177 30.171 31.700 -0.587 0.000 1.141 332 Y N 0.611 120.862 120.300 -0.081 0.000 2.139 332 Y HA -0.059 4.490 4.550 -0.001 0.000 0.282 332 Y C 2.576 178.468 175.900 -0.014 0.000 1.179 332 Y CA 1.746 59.706 58.100 -0.232 0.000 1.161 332 Y CB -2.102 35.969 38.460 -0.649 0.000 0.970 332 Y HN 0.143 nan 8.280 nan 0.000 0.511 333 A N -0.099 122.921 122.820 0.333 0.000 2.067 333 A HA 0.217 4.537 4.320 -0.001 0.000 0.219 333 A C 2.366 180.250 177.584 0.500 0.000 1.158 333 A CA 1.394 53.700 52.037 0.449 0.000 0.661 333 A CB -1.254 18.060 19.000 0.523 0.000 0.801 333 A HN 0.817 nan 8.150 nan 0.000 0.452 334 G N -2.818 106.181 108.800 0.331 0.000 2.189 334 G HA2 0.187 4.147 3.960 -0.001 0.000 0.267 334 G HA3 0.187 4.147 3.960 -0.001 0.000 0.267 334 G C 0.770 175.933 174.900 0.439 0.000 0.975 334 G CA 0.519 45.831 45.100 0.352 0.000 0.644 334 G HN 2.136 nan 8.290 nan 0.000 0.537 335 G N -1.513 107.512 108.800 0.376 0.000 2.433 335 G HA2 0.590 4.549 3.960 -0.001 0.000 0.306 335 G HA3 0.590 4.549 3.960 -0.001 0.000 0.306 335 G C -0.128 174.784 174.900 0.019 0.000 1.627 335 G CA 0.694 45.827 45.100 0.054 0.000 0.893 335 G HN 0.351 nan 8.290 nan 0.000 0.648 336 E N 0.825 120.988 120.200 -0.061 0.000 2.130 336 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 336 E C 2.538 179.121 176.600 -0.028 0.000 0.998 336 E CA 2.197 58.586 56.400 -0.019 0.000 0.806 336 E CB 0.206 29.880 29.700 -0.043 0.000 0.738 336 E HN 0.588 nan 8.360 nan 0.000 0.459 337 Q N -0.628 119.040 119.800 -0.220 0.000 2.500 337 Q HA -0.155 4.185 4.340 -0.001 0.000 0.213 337 Q C 0.686 176.626 176.000 -0.099 0.000 0.974 337 Q CA 0.819 56.481 55.803 -0.235 0.000 0.918 337 Q CB -0.308 28.157 28.738 -0.455 0.000 0.980 337 Q HN 0.462 nan 8.270 nan 0.000 0.505 338 W N 2.469 123.881 121.300 0.187 0.000 3.127 338 W HA 0.180 4.839 4.660 -0.001 0.000 0.344 338 W C 0.503 177.286 176.519 0.440 0.000 1.151 338 W CA 0.093 57.603 57.345 0.275 0.000 1.765 338 W CB -0.140 29.462 29.460 0.236 0.000 1.085 338 W HN 0.091 nan 8.180 nan 0.000 0.596 339 T N 1.375 116.225 114.554 0.494 0.000 2.898 339 T HA 0.547 4.897 4.350 -0.001 0.000 0.301 339 T C 0.173 175.091 174.700 0.365 0.000 1.049 339 T CA 0.010 62.337 62.100 0.378 0.000 1.095 339 T CB 1.720 70.727 68.868 0.231 0.000 0.976 339 T HN 0.304 nan 8.240 nan 0.000 0.539 340 R N 0.476 121.120 120.500 0.240 0.000 2.728 340 R HA 0.560 4.899 4.340 -0.001 0.000 0.274 340 R C -3.524 172.774 176.300 -0.004 0.000 1.032 340 R CA -1.926 54.235 56.100 0.102 0.000 0.866 340 R CB -0.094 30.256 30.300 0.083 0.000 1.263 340 R HN 0.349 nan 8.270 nan 0.000 0.475 341 P HA 0.143 nan 4.420 nan 0.000 0.272 341 P C -0.599 176.642 177.300 -0.098 0.000 1.230 341 P CA -0.233 62.731 63.100 -0.226 0.000 0.788 341 P CB 0.694 32.021 31.700 -0.622 0.000 0.949 342 A N 1.779 124.576 122.820 -0.039 0.000 2.531 342 A HA 0.439 4.758 4.320 -0.001 0.000 0.236 342 A C 0.813 178.426 177.584 0.049 0.000 1.062 342 A CA 0.615 52.673 52.037 0.034 0.000 0.760 342 A CB -0.697 18.335 19.000 0.053 0.000 0.995 342 A HN 0.601 nan 8.150 nan 0.000 0.501 343 G N 0.380 109.254 108.800 0.124 0.000 2.332 343 G HA2 0.506 4.465 3.960 -0.001 0.000 0.310 343 G HA3 0.506 4.465 3.960 -0.001 0.000 0.310 343 G C -0.374 174.655 174.900 0.214 0.000 1.123 343 G CA -0.410 44.785 45.100 0.158 0.000 0.873 343 G HN 1.135 nan 8.290 nan 0.000 0.460 344 H N -0.787 118.328 119.070 0.075 0.000 2.740 344 H HA -0.204 4.352 4.556 -0.001 0.000 0.327 344 H C 0.790 176.136 175.328 0.029 0.000 1.077 344 H CA 1.167 57.242 56.048 0.045 0.000 1.088 344 H CB -1.225 28.573 29.762 0.060 0.000 1.619 344 H HN 0.740 nan 8.280 nan 0.000 0.386 345 I N -2.828 117.783 120.570 0.068 0.000 3.326 345 I HA 0.478 4.647 4.170 -0.001 0.000 0.336 345 I C 1.395 177.526 176.117 0.025 0.000 1.543 345 I CA 0.057 61.388 61.300 0.051 0.000 1.013 345 I CB 0.837 38.864 38.000 0.045 0.000 1.468 345 I HN 0.546 nan 8.210 nan 0.000 0.515 346 G N 2.184 110.997 108.800 0.022 0.000 2.155 346 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.257 346 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.257 346 G C 0.022 174.915 174.900 -0.012 0.000 0.983 346 G CA 0.356 45.457 45.100 0.001 0.000 0.676 346 G HN 0.566 nan 8.290 nan 0.000 0.528 347 I N 1.526 122.086 120.570 -0.016 0.000 2.307 347 I HA 0.229 4.399 4.170 -0.001 0.000 0.289 347 I C 0.514 176.615 176.117 -0.026 0.000 1.021 347 I CA -0.954 60.337 61.300 -0.016 0.000 1.224 347 I CB 0.914 38.910 38.000 -0.006 0.000 1.376 347 I HN 0.006 nan 8.210 nan 0.000 0.470 348 E N 8.074 128.257 120.200 -0.027 0.000 2.604 348 E HA -0.089 4.261 4.350 -0.001 0.000 0.267 348 E C -1.308 175.273 176.600 -0.031 0.000 0.970 348 E CA -0.533 55.846 56.400 -0.035 0.000 0.956 348 E CB 0.325 30.009 29.700 -0.027 0.000 0.939 348 E HN 0.455 nan 8.360 nan 0.000 0.465 349 P HA -0.078 nan 4.420 nan 0.000 0.234 349 P C -0.083 177.165 177.300 -0.086 0.000 1.167 349 P CA 0.347 63.406 63.100 -0.069 0.000 0.763 349 P CB 0.379 32.032 31.700 -0.079 0.000 0.835 350 N N 1.596 120.224 118.700 -0.119 0.000 2.441 350 N HA 0.024 4.763 4.740 -0.001 0.000 0.251 350 N C 0.503 175.976 175.510 -0.063 0.000 1.242 350 N CA 0.507 53.471 53.050 -0.143 0.000 0.898 350 N CB 0.408 38.748 38.487 -0.245 0.000 1.100 350 N HN 0.171 nan 8.380 nan 0.000 0.443 351 K N 0.498 120.881 120.400 -0.028 0.000 3.123 351 K HA 0.389 4.708 4.320 -0.001 0.000 0.209 351 K C -0.061 176.513 176.600 -0.043 0.000 1.132 351 K CA -0.502 55.752 56.287 -0.055 0.000 0.992 351 K CB 0.903 33.344 32.500 -0.100 0.000 0.773 351 K HN 0.651 nan 8.250 nan 0.000 0.458 352 G N -0.115 108.711 108.800 0.044 0.000 2.623 352 G HA2 0.343 4.302 3.960 -0.001 0.000 0.290 352 G HA3 0.343 4.302 3.960 -0.001 0.000 0.290 352 G C -1.057 173.893 174.900 0.082 0.000 1.437 352 G CA -0.613 44.519 45.100 0.053 0.000 0.798 352 G HN 0.121 nan 8.290 nan 0.000 0.488 353 D N -1.700 118.711 120.400 0.018 0.000 2.328 353 D HA -0.279 4.361 4.640 -0.001 0.000 0.167 353 D C 1.926 178.238 176.300 0.021 0.000 1.205 353 D CA 3.065 57.078 54.000 0.023 0.000 1.128 353 D CB -1.274 39.553 40.800 0.045 0.000 1.157 353 D HN 0.858 nan 8.370 nan 0.000 0.468 354 T N -3.645 110.918 114.554 0.015 0.000 3.009 354 T HA 0.080 4.430 4.350 -0.001 0.000 0.258 354 T C 0.716 175.413 174.700 -0.005 0.000 1.063 354 T CA 0.573 62.676 62.100 0.006 0.000 1.139 354 T CB 0.311 69.182 68.868 0.005 0.000 0.890 354 T HN 0.106 nan 8.240 nan 0.000 0.471 355 N N 1.474 120.162 118.700 -0.020 0.000 2.716 355 N HA 0.332 5.071 4.740 -0.001 0.000 0.245 355 N C -1.629 173.841 175.510 -0.066 0.000 1.495 355 N CA -0.165 52.867 53.050 -0.031 0.000 0.759 355 N CB 2.019 40.488 38.487 -0.030 0.000 1.261 355 N HN 0.139 nan 8.380 nan 0.000 0.515 356 V N 2.441 122.314 119.914 -0.070 0.000 2.406 356 V HA 0.421 4.541 4.120 -0.001 0.000 0.272 356 V C -2.014 174.013 176.094 -0.111 0.000 1.043 356 V CA -1.442 60.785 62.300 -0.122 0.000 0.915 356 V CB 1.416 33.174 31.823 -0.107 0.000 0.988 356 V HN 0.222 nan 8.190 nan 0.000 0.466 357 P HA 0.330 nan 4.420 nan 0.000 0.278 357 P C -0.033 177.256 177.300 -0.019 0.000 1.258 357 P CA -0.430 62.640 63.100 -0.050 0.000 0.811 357 P CB 0.485 32.209 31.700 0.041 0.000 1.063 358 T N -2.486 111.947 114.554 -0.202 0.000 2.898 358 T HA 0.032 4.382 4.350 -0.001 0.000 0.301 358 T C 0.023 174.714 174.700 -0.015 0.000 1.049 358 T CA -0.722 61.268 62.100 -0.183 0.000 1.095 358 T CB 0.205 68.865 68.868 -0.347 0.000 0.976 358 T HN 0.280 nan 8.240 nan 0.000 0.539 359 W N 3.118 124.318 121.300 -0.166 0.000 2.391 359 W HA 0.113 4.772 4.660 -0.001 0.000 0.339 359 W C -2.398 173.892 176.519 -0.380 0.000 1.252 359 W CA -1.516 55.643 57.345 -0.309 0.000 1.304 359 W CB -0.107 29.280 29.460 -0.122 0.000 1.179 359 W HN 0.536 nan 8.180 nan 0.000 0.567 360 P HA -0.106 nan 4.420 nan 0.000 0.263 360 P C 0.621 177.886 177.300 -0.059 0.000 1.195 360 P CA 0.558 63.381 63.100 -0.462 0.000 0.762 360 P CB 0.594 31.851 31.700 -0.738 0.000 0.799 361 Q N 2.518 122.304 119.800 -0.024 0.000 2.224 361 Q HA -0.147 4.193 4.340 -0.001 0.000 0.203 361 Q C 1.225 177.254 176.000 0.048 0.000 0.970 361 Q CA 1.413 57.242 55.803 0.043 0.000 0.865 361 Q CB -0.377 28.370 28.738 0.015 0.000 0.922 361 Q HN 0.642 nan 8.270 nan 0.000 0.445 362 D N 0.317 120.727 120.400 0.016 0.000 2.363 362 D HA -0.101 4.538 4.640 -0.001 0.000 0.220 362 D C -0.072 176.263 176.300 0.058 0.000 0.994 362 D CA 0.005 54.018 54.000 0.021 0.000 0.890 362 D CB -0.221 40.577 40.800 -0.003 0.000 0.906 362 D HN -0.004 nan 8.370 nan 0.000 0.530 363 D N 0.942 121.418 120.400 0.126 0.000 2.414 363 D HA -0.050 4.590 4.640 -0.001 0.000 0.242 363 D C 1.131 177.498 176.300 0.112 0.000 1.129 363 D CA -0.091 54.044 54.000 0.225 0.000 0.885 363 D CB 1.030 42.139 40.800 0.515 0.000 1.198 363 D HN -0.026 nan 8.370 nan 0.000 0.437 364 E N 2.141 122.326 120.200 -0.025 0.000 2.204 364 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 364 E C 0.234 176.584 176.600 -0.418 0.000 0.990 364 E CA 1.005 57.225 56.400 -0.300 0.000 0.821 364 E CB 0.078 29.445 29.700 -0.554 0.000 0.750 364 E HN 0.667 nan 8.360 nan 0.000 0.477 365 Y N -1.467 118.889 120.300 0.093 0.000 2.696 365 Y HA 0.391 4.940 4.550 -0.001 0.000 0.260 365 Y C 1.468 177.326 175.900 -0.070 0.000 1.165 365 Y CA 0.007 58.110 58.100 0.006 0.000 1.189 365 Y CB 0.452 38.888 38.460 -0.041 0.000 1.180 365 Y HN 0.034 nan 8.280 nan 0.000 0.538 366 A N 0.661 123.569 122.820 0.148 0.000 2.139 366 A HA 0.163 4.482 4.320 -0.001 0.000 0.221 366 A C 1.927 179.465 177.584 -0.078 0.000 1.159 366 A CA 1.397 53.500 52.037 0.111 0.000 0.662 366 A CB -1.136 18.006 19.000 0.236 0.000 0.796 366 A HN 0.697 nan 8.150 nan 0.000 0.463 367 G N -0.756 108.013 108.800 -0.052 0.000 2.698 367 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.233 367 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.233 367 G C 0.204 175.093 174.900 -0.017 0.000 1.352 367 G CA -0.140 44.926 45.100 -0.057 0.000 0.879 367 G HN 1.663 nan 8.290 nan 0.000 0.567 368 I N -0.939 119.620 120.570 -0.018 0.000 2.892 368 I HA 0.458 4.628 4.170 -0.001 0.000 0.287 368 I C -1.841 174.280 176.117 0.007 0.000 1.205 368 I CA -1.336 59.962 61.300 -0.003 0.000 1.409 368 I CB 0.069 38.062 38.000 -0.011 0.000 1.367 368 I HN 0.344 nan 8.210 nan 0.000 0.597 369 P HA 0.104 nan 4.420 nan 0.000 0.266 369 P C -1.160 176.157 177.300 0.028 0.000 1.195 369 P CA 0.237 63.352 63.100 0.024 0.000 0.768 369 P CB 0.525 32.237 31.700 0.020 0.000 0.838 370 Q N 1.090 120.915 119.800 0.040 0.000 2.484 370 Q HA 0.426 4.765 4.340 -0.001 0.000 0.285 370 Q C -0.491 175.551 176.000 0.070 0.000 1.097 370 Q CA -1.112 54.727 55.803 0.060 0.000 0.802 370 Q CB 2.381 31.155 28.738 0.060 0.000 1.444 370 Q HN 0.279 nan 8.270 nan 0.000 0.429 371 K N 0.910 121.392 120.400 0.138 0.000 2.090 371 K HA 0.202 4.521 4.320 -0.001 0.000 0.250 371 K C -0.346 176.335 176.600 0.135 0.000 1.004 371 K CA -0.381 56.003 56.287 0.161 0.000 0.919 371 K CB 0.600 33.241 32.500 0.235 0.000 1.045 371 K HN 0.456 nan 8.250 nan 0.000 0.471 372 N N 1.902 120.669 118.700 0.112 0.000 2.437 372 N HA 0.142 4.882 4.740 -0.001 0.000 0.243 372 N C -1.624 173.974 175.510 0.147 0.000 1.041 372 N CA -0.328 52.748 53.050 0.043 0.000 0.940 372 N CB 0.335 38.837 38.487 0.024 0.000 1.133 372 N HN 0.446 nan 8.380 nan 0.000 0.506 373 Y N -0.194 120.121 120.300 0.025 0.000 2.689 373 Y HA 0.511 5.060 4.550 -0.001 0.000 0.333 373 Y C -1.144 174.763 175.900 0.012 0.000 1.208 373 Y CA -1.179 56.931 58.100 0.017 0.000 1.055 373 Y CB 0.798 39.270 38.460 0.020 0.000 1.304 373 Y HN 0.189 nan 8.280 nan 0.000 0.455 374 T N -0.578 114.121 114.554 0.242 0.000 2.908 374 T HA 0.776 5.125 4.350 -0.001 0.000 0.290 374 T C -1.102 173.708 174.700 0.182 0.000 1.034 374 T CA -1.008 61.158 62.100 0.111 0.000 1.010 374 T CB 2.349 71.240 68.868 0.039 0.000 1.068 374 T HN 0.771 nan 8.240 nan 0.000 0.481 375 K N 0.518 120.972 120.400 0.090 0.000 2.444 375 K HA 0.482 4.801 4.320 -0.001 0.000 0.252 375 K C -1.432 175.183 176.600 0.026 0.000 0.993 375 K CA -0.972 55.363 56.287 0.080 0.000 0.847 375 K CB 1.901 34.453 32.500 0.086 0.000 1.340 375 K HN 0.739 nan 8.250 nan 0.000 0.446 376 D N 1.747 122.161 120.400 0.023 0.000 2.349 376 D HA 0.215 4.854 4.640 -0.001 0.000 0.232 376 D C -0.521 175.795 176.300 0.025 0.000 1.071 376 D CA -0.474 53.535 54.000 0.014 0.000 0.832 376 D CB 1.428 42.232 40.800 0.005 0.000 1.086 376 D HN 0.296 nan 8.370 nan 0.000 0.504 377 V N 1.499 121.443 119.914 0.050 0.000 2.727 377 V HA 0.289 4.409 4.120 -0.001 0.000 0.336 377 V C 0.706 176.907 176.094 0.178 0.000 1.228 377 V CA -0.566 61.813 62.300 0.132 0.000 1.270 377 V CB -0.529 31.399 31.823 0.176 0.000 1.486 377 V HN 0.556 nan 8.190 nan 0.000 0.638 378 T N -1.371 113.227 114.554 0.074 0.000 2.828 378 T HA 0.698 5.047 4.350 -0.001 0.000 0.290 378 T C 0.818 175.498 174.700 -0.034 0.000 1.019 378 T CA 0.663 62.776 62.100 0.022 0.000 1.031 378 T CB 1.289 70.160 68.868 0.004 0.000 1.001 378 T HN 2.104 nan 8.240 nan 0.000 0.531 379 G N -0.185 108.559 108.800 -0.093 0.000 2.660 379 G HA2 0.401 4.361 3.960 -0.001 0.000 0.215 379 G HA3 0.401 4.361 3.960 -0.001 0.000 0.215 379 G C 0.296 175.035 174.900 -0.269 0.000 1.345 379 G CA 0.008 44.973 45.100 -0.224 0.000 0.877 379 G HN 2.745 nan 8.290 nan 0.000 0.549 380 G N -2.686 105.906 108.800 -0.347 0.000 2.796 380 G HA2 0.187 4.146 3.960 -0.001 0.000 0.571 380 G HA3 0.187 4.146 3.960 -0.001 0.000 0.571 380 G C -0.121 174.701 174.900 -0.129 0.000 1.370 380 G CA 0.446 45.292 45.100 -0.424 0.000 0.856 380 G HN 1.757 nan 8.290 nan 0.000 0.538 381 W N -0.966 120.262 121.300 -0.120 0.000 2.578 381 W HA 0.631 5.291 4.660 -0.001 0.000 0.346 381 W C -0.310 176.097 176.519 -0.188 0.000 1.075 381 W CA -1.434 55.858 57.345 -0.089 0.000 1.233 381 W CB 0.881 30.424 29.460 0.139 0.000 1.358 381 W HN 0.461 nan 8.180 nan 0.000 0.574 382 Y N 1.134 121.573 120.300 0.232 0.000 2.359 382 Y HA -0.039 4.510 4.550 -0.001 0.000 0.330 382 Y C 1.552 177.578 175.900 0.210 0.000 1.143 382 Y CA 0.188 58.387 58.100 0.166 0.000 1.318 382 Y CB 0.395 38.921 38.460 0.111 0.000 1.234 382 Y HN 0.419 nan 8.280 nan 0.000 0.522 383 D N 1.428 122.094 120.400 0.445 0.000 2.097 383 D HA 0.009 4.649 4.640 -0.001 0.000 0.195 383 D C 0.757 177.177 176.300 0.199 0.000 0.989 383 D CA 1.876 56.073 54.000 0.328 0.000 0.827 383 D CB 0.358 41.365 40.800 0.345 0.000 0.966 383 D HN 0.666 nan 8.370 nan 0.000 0.456 384 A N -1.773 121.168 122.820 0.202 0.000 4.258 384 A HA 0.552 4.872 4.320 -0.001 0.000 0.158 384 A C 1.403 179.069 177.584 0.137 0.000 0.780 384 A CA 0.079 52.209 52.037 0.157 0.000 1.200 384 A CB -0.337 18.700 19.000 0.062 0.000 2.104 384 A HN 0.072 nan 8.150 nan 0.000 0.922 385 G N 0.749 109.636 108.800 0.145 0.000 2.625 385 G HA2 0.174 4.134 3.960 -0.001 0.000 0.214 385 G HA3 0.174 4.134 3.960 -0.001 0.000 0.214 385 G C 0.347 175.203 174.900 -0.074 0.000 1.132 385 G CA 1.350 46.472 45.100 0.037 0.000 0.782 385 G HN 0.844 nan 8.290 nan 0.000 0.538 386 D N -1.437 118.982 120.400 0.033 0.000 2.549 386 D HA 0.177 4.817 4.640 -0.001 0.000 0.270 386 D C -0.252 176.006 176.300 -0.070 0.000 1.181 386 D CA -0.726 53.255 54.000 -0.031 0.000 1.070 386 D CB 0.369 41.362 40.800 0.322 0.000 1.154 386 D HN 0.311 nan 8.370 nan 0.000 0.602 387 H N -1.680 117.420 119.070 0.051 0.000 2.487 387 H HA 0.389 4.944 4.556 -0.001 0.000 0.290 387 H C 0.715 176.191 175.328 0.248 0.000 1.081 387 H CA -0.716 55.317 56.048 -0.025 0.000 1.116 387 H CB 0.822 30.521 29.762 -0.105 0.000 1.560 387 H HN 0.417 nan 8.280 nan 0.000 0.548 388 G N 0.728 109.745 108.800 0.362 0.000 2.537 388 G HA2 0.385 4.344 3.960 -0.001 0.000 0.273 388 G HA3 0.385 4.344 3.960 -0.001 0.000 0.273 388 G C -0.502 174.472 174.900 0.123 0.000 1.189 388 G CA -0.630 44.558 45.100 0.145 0.000 0.881 388 G HN 0.204 nan 8.290 nan 0.000 0.535 389 K N 0.729 120.986 120.400 -0.238 0.000 2.604 389 K HA 0.299 4.619 4.320 -0.001 0.000 0.247 389 K C -1.712 174.875 176.600 -0.021 0.000 0.956 389 K CA -0.381 55.853 56.287 -0.088 0.000 0.896 389 K CB 1.620 33.880 32.500 -0.400 0.000 1.131 389 K HN 0.479 nan 8.250 nan 0.000 0.440 390 Y N 1.094 121.525 120.300 0.220 0.000 2.335 390 Y HA 0.162 4.711 4.550 -0.001 0.000 0.338 390 Y C 1.311 177.287 175.900 0.126 0.000 0.977 390 Y CA -1.213 56.944 58.100 0.095 0.000 1.114 390 Y CB 1.137 39.532 38.460 -0.108 0.000 1.182 390 Y HN 0.204 nan 8.280 nan 0.000 0.463 391 V N 1.947 121.917 119.914 0.093 0.000 2.358 391 V HA -0.127 3.992 4.120 -0.001 0.000 0.246 391 V C 0.766 176.801 176.094 -0.098 0.000 1.047 391 V CA 0.808 63.000 62.300 -0.181 0.000 1.035 391 V CB -0.263 31.273 31.823 -0.477 0.000 0.658 391 V HN 0.537 nan 8.190 nan 0.000 0.452 392 V N 1.835 121.652 119.914 -0.162 0.000 2.637 392 V HA 0.160 4.280 4.120 -0.001 0.000 0.296 392 V C 1.263 177.179 176.094 -0.298 0.000 1.046 392 V CA 1.105 63.338 62.300 -0.113 0.000 1.066 392 V CB 0.611 32.371 31.823 -0.105 0.000 0.968 392 V HN 0.744 nan 8.190 nan 0.000 0.483 393 N N 2.416 121.031 118.700 -0.142 0.000 2.723 393 N HA -0.189 4.550 4.740 -0.001 0.000 0.203 393 N C 1.403 176.971 175.510 0.098 0.000 1.197 393 N CA 1.320 54.222 53.050 -0.246 0.000 1.848 393 N CB -1.313 36.525 38.487 -1.082 0.000 0.911 393 N HN 0.809 nan 8.380 nan 0.000 0.520 394 G N -0.121 108.823 108.800 0.240 0.000 2.430 394 G HA2 0.128 4.088 3.960 -0.001 0.000 0.216 394 G HA3 0.128 4.088 3.960 -0.001 0.000 0.216 394 G C 1.381 176.694 174.900 0.688 0.000 1.146 394 G CA 1.555 46.990 45.100 0.559 0.000 0.793 394 G HN 0.538 nan 8.290 nan 0.000 0.537 395 G N 1.205 110.373 108.800 0.613 0.000 2.459 395 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 395 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 395 G C 1.759 177.074 174.900 0.692 0.000 1.183 395 G CA 0.916 46.419 45.100 0.672 0.000 0.776 395 G HN 0.427 nan 8.290 nan 0.000 0.552 396 I N 0.868 121.742 120.570 0.507 0.000 2.252 396 I HA -0.030 4.139 4.170 -0.001 0.000 0.245 396 I C 3.086 179.492 176.117 0.483 0.000 1.102 396 I CA 1.391 62.919 61.300 0.379 0.000 1.385 396 I CB -0.131 37.966 38.000 0.161 0.000 1.064 396 I HN 0.232 nan 8.210 nan 0.000 0.414 397 A N -0.010 123.091 122.820 0.468 0.000 1.873 397 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 397 A C 2.450 180.336 177.584 0.502 0.000 1.193 397 A CA 2.299 54.627 52.037 0.485 0.000 0.629 397 A CB -1.380 17.939 19.000 0.531 0.000 0.826 397 A HN 0.384 nan 8.150 nan 0.000 0.447 398 V N -1.874 118.397 119.914 0.595 0.000 2.626 398 V HA -0.173 3.947 4.120 -0.001 0.000 0.252 398 V C 1.974 178.329 176.094 0.436 0.000 1.067 398 V CA 1.953 64.556 62.300 0.504 0.000 1.081 398 V CB -0.461 31.550 31.823 0.314 0.000 0.686 398 V HN 0.800 nan 8.190 nan 0.000 0.468 399 W N 0.428 121.941 121.300 0.355 0.000 2.467 399 W HA -0.123 4.537 4.660 -0.001 0.000 0.275 399 W C 2.185 178.891 176.519 0.311 0.000 1.239 399 W CA 1.632 59.189 57.345 0.354 0.000 1.266 399 W CB -0.050 29.709 29.460 0.499 0.000 1.112 399 W HN 0.156 nan 8.180 nan 0.000 0.576 400 T N 1.347 116.264 114.554 0.605 0.000 2.904 400 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 400 T C 1.755 176.668 174.700 0.356 0.000 1.059 400 T CA 1.591 63.998 62.100 0.513 0.000 1.137 400 T CB -0.289 68.886 68.868 0.513 0.000 0.879 400 T HN 0.140 nan 8.240 nan 0.000 0.467 401 L N -0.057 121.299 121.223 0.221 0.000 2.127 401 L HA 0.145 4.484 4.340 -0.001 0.000 0.203 401 L C 2.627 179.566 176.870 0.115 0.000 1.080 401 L CA 0.898 55.810 54.840 0.120 0.000 0.768 401 L CB -0.486 41.566 42.059 -0.013 0.000 0.924 401 L HN 0.223 nan 8.230 nan 0.000 0.444 402 M N -0.198 119.446 119.600 0.074 0.000 2.296 402 M HA -0.172 4.307 4.480 -0.001 0.000 0.265 402 M C 2.082 178.382 176.300 -0.000 0.000 1.064 402 M CA 1.258 56.586 55.300 0.046 0.000 1.109 402 M CB -0.462 32.148 32.600 0.015 0.000 1.396 402 M HN 0.356 nan 8.290 nan 0.000 0.430 403 N N 1.452 120.040 118.700 -0.187 0.000 2.216 403 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 403 N C 1.776 177.346 175.510 0.101 0.000 1.017 403 N CA 1.341 54.248 53.050 -0.239 0.000 0.861 403 N CB -0.049 37.945 38.487 -0.821 0.000 0.986 403 N HN 0.467 nan 8.380 nan 0.000 0.428 404 M N -1.078 118.612 119.600 0.149 0.000 2.296 404 M HA -0.111 4.369 4.480 -0.001 0.000 0.265 404 M C 2.144 178.434 176.300 -0.018 0.000 1.064 404 M CA 1.139 56.339 55.300 -0.167 0.000 1.109 404 M CB -0.886 31.476 32.600 -0.397 0.000 1.396 404 M HN 0.046 nan 8.290 nan 0.000 0.430 405 Y N 1.748 122.074 120.300 0.044 0.000 2.109 405 Y HA -0.178 4.372 4.550 -0.001 0.000 0.285 405 Y C 2.469 178.285 175.900 -0.140 0.000 1.131 405 Y CA 2.318 60.431 58.100 0.022 0.000 1.121 405 Y CB -0.559 37.940 38.460 0.064 0.000 0.987 405 Y HN 0.437 nan 8.280 nan 0.000 0.495 406 E N 0.296 120.422 120.200 -0.123 0.000 2.130 406 E HA -0.332 4.017 4.350 -0.001 0.000 0.196 406 E C 2.465 178.937 176.600 -0.214 0.000 0.998 406 E CA 1.639 57.931 56.400 -0.181 0.000 0.806 406 E CB -0.303 29.401 29.700 0.007 0.000 0.738 406 E HN 0.521 nan 8.360 nan 0.000 0.459 407 R N -0.100 120.313 120.500 -0.144 0.000 2.075 407 R HA -0.107 4.232 4.340 -0.001 0.000 0.232 407 R C 2.222 178.343 176.300 -0.298 0.000 1.126 407 R CA 1.261 57.303 56.100 -0.097 0.000 0.963 407 R CB -0.291 30.008 30.300 -0.002 0.000 0.858 407 R HN 0.215 nan 8.270 nan 0.000 0.435 408 A N 1.310 123.796 122.820 -0.557 0.000 1.902 408 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 408 A C 2.062 179.329 177.584 -0.528 0.000 1.181 408 A CA 1.677 53.290 52.037 -0.706 0.000 0.623 408 A CB -0.447 17.690 19.000 -1.439 0.000 0.818 408 A HN 0.418 nan 8.150 nan 0.000 0.443 409 K N -0.078 119.960 120.400 -0.605 0.000 1.973 409 K HA -0.092 4.228 4.320 -0.001 0.000 0.212 409 K C 1.765 178.226 176.600 -0.231 0.000 1.047 409 K CA 1.906 57.934 56.287 -0.431 0.000 0.937 409 K CB -0.436 31.756 32.500 -0.513 0.000 0.721 409 K HN 0.411 nan 8.250 nan 0.000 0.440 410 I N 0.803 121.265 120.570 -0.179 0.000 2.264 410 I HA -0.307 3.863 4.170 -0.001 0.000 0.248 410 I C 2.502 178.572 176.117 -0.079 0.000 1.111 410 I CA 1.373 62.622 61.300 -0.085 0.000 1.382 410 I CB -0.208 37.777 38.000 -0.024 0.000 1.060 410 I HN 0.237 nan 8.210 nan 0.000 0.418 411 R N 0.267 120.696 120.500 -0.119 0.000 2.073 411 R HA 0.008 4.348 4.340 -0.001 0.000 0.229 411 R C 1.496 177.724 176.300 -0.120 0.000 1.120 411 R CA 1.136 57.168 56.100 -0.113 0.000 0.967 411 R CB -0.132 30.073 30.300 -0.158 0.000 0.862 411 R HN 0.518 nan 8.270 nan 0.000 0.436 412 G N 0.590 109.300 108.800 -0.151 0.000 2.164 412 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.154 412 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.154 412 G C 0.312 175.141 174.900 -0.119 0.000 1.014 412 G CA 0.017 45.046 45.100 -0.118 0.000 0.683 412 G HN 0.300 nan 8.290 nan 0.000 0.500 413 L N -1.543 119.576 121.223 -0.172 0.000 3.017 413 L HA 0.470 4.809 4.340 -0.001 0.000 0.255 413 L C 1.371 178.220 176.870 -0.035 0.000 1.247 413 L CA 0.227 55.008 54.840 -0.099 0.000 1.038 413 L CB 0.120 42.076 42.059 -0.172 0.000 1.380 413 L HN 0.076 nan 8.230 nan 0.000 0.548 414 D N -0.349 119.965 120.400 -0.143 0.000 2.392 414 D HA -0.212 4.427 4.640 -0.001 0.000 0.228 414 D C 0.744 177.131 176.300 0.145 0.000 1.003 414 D CA 0.448 54.380 54.000 -0.114 0.000 0.917 414 D CB -0.075 40.593 40.800 -0.221 0.000 0.890 414 D HN 0.543 nan 8.370 nan 0.000 0.532 415 N N -0.795 118.001 118.700 0.159 0.000 2.273 415 N HA 0.089 4.828 4.740 -0.001 0.000 0.231 415 N C -1.308 174.364 175.510 0.269 0.000 1.134 415 N CA -0.614 52.545 53.050 0.181 0.000 0.856 415 N CB 0.029 38.590 38.487 0.124 0.000 1.068 415 N HN 0.219 nan 8.380 nan 0.000 0.510 416 W N -0.244 121.135 121.300 0.131 0.000 2.799 416 W HA 0.611 5.270 4.660 -0.001 0.000 0.349 416 W C 1.079 177.719 176.519 0.200 0.000 1.100 416 W CA 0.405 57.837 57.345 0.145 0.000 1.174 416 W CB 0.711 30.236 29.460 0.109 0.000 1.427 416 W HN 0.127 nan 8.180 nan 0.000 0.547 417 G N 3.602 111.812 108.800 -0.983 0.000 2.698 417 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.346 417 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.346 417 G C -1.219 173.436 174.900 -0.409 0.000 1.287 417 G CA 1.037 45.552 45.100 -0.974 0.000 0.990 417 G HN 0.592 nan 8.290 nan 0.000 0.545 418 P HA 0.120 nan 4.420 nan 0.000 0.245 418 P C 0.827 177.925 177.300 -0.336 0.000 1.206 418 P CA 1.042 63.911 63.100 -0.385 0.000 0.781 418 P CB -0.035 31.349 31.700 -0.527 0.000 0.994 419 Y N 1.330 121.593 120.300 -0.062 0.000 2.583 419 Y HA 0.026 4.575 4.550 -0.001 0.000 0.293 419 Y C 1.689 177.626 175.900 0.061 0.000 1.157 419 Y CA 0.046 58.192 58.100 0.077 0.000 1.315 419 Y CB -0.448 38.086 38.460 0.123 0.000 1.021 419 Y HN 0.049 nan 8.280 nan 0.000 0.536 420 R N -0.124 120.444 120.500 0.114 0.000 2.758 420 R HA 0.360 4.700 4.340 -0.001 0.000 0.265 420 R C -0.965 175.331 176.300 -0.007 0.000 1.016 420 R CA -0.995 55.145 56.100 0.067 0.000 1.040 420 R CB 0.738 31.086 30.300 0.080 0.000 1.152 420 R HN -0.134 nan 8.270 nan 0.000 0.503 421 D N 0.404 120.793 120.400 -0.017 0.000 2.450 421 D HA 0.170 4.810 4.640 -0.001 0.000 0.247 421 D C 0.940 177.225 176.300 -0.025 0.000 1.162 421 D CA 1.930 55.910 54.000 -0.035 0.000 0.879 421 D CB 0.582 41.369 40.800 -0.022 0.000 1.163 421 D HN 0.788 nan 8.370 nan 0.000 0.472 422 G N 2.452 111.230 108.800 -0.038 0.000 2.141 422 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.242 422 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.242 422 G C 1.019 175.889 174.900 -0.050 0.000 0.982 422 G CA 0.463 45.540 45.100 -0.039 0.000 0.662 422 G HN 0.804 nan 8.290 nan 0.000 0.527 423 G N -0.652 108.120 108.800 -0.045 0.000 2.683 423 G HA2 0.461 4.421 3.960 -0.001 0.000 0.213 423 G HA3 0.461 4.421 3.960 -0.001 0.000 0.213 423 G C 0.570 175.459 174.900 -0.018 0.000 1.142 423 G CA 0.752 45.830 45.100 -0.038 0.000 0.793 423 G HN 0.498 nan 8.290 nan 0.000 0.534 424 M N -0.286 119.290 119.600 -0.040 0.000 2.530 424 M HA 0.234 4.713 4.480 -0.001 0.000 0.307 424 M C -0.158 176.097 176.300 -0.076 0.000 1.161 424 M CA -0.509 54.773 55.300 -0.029 0.000 0.903 424 M CB 2.674 35.268 32.600 -0.010 0.000 1.711 424 M HN 0.001 nan 8.290 nan 0.000 0.451 425 N N 3.729 122.382 118.700 -0.078 0.000 3.210 425 N HA 0.184 4.923 4.740 -0.001 0.000 0.314 425 N C -1.049 174.401 175.510 -0.100 0.000 1.291 425 N CA -0.188 52.834 53.050 -0.047 0.000 1.202 425 N CB -0.105 38.359 38.487 -0.037 0.000 1.475 425 N HN 0.517 nan 8.380 nan 0.000 0.554 426 I N -3.247 117.181 120.570 -0.236 0.000 2.863 426 I HA 0.508 4.678 4.170 -0.001 0.000 0.311 426 I C -2.153 173.500 176.117 -0.772 0.000 1.026 426 I CA -2.777 58.151 61.300 -0.619 0.000 1.077 426 I CB 1.765 39.528 38.000 -0.396 0.000 1.262 426 I HN -0.156 nan 8.210 nan 0.000 0.461 427 P HA -0.092 nan 4.420 nan 0.000 0.221 427 P C 0.378 177.489 177.300 -0.314 0.000 1.145 427 P CA 1.254 63.792 63.100 -0.936 0.000 0.795 427 P CB 0.065 31.307 31.700 -0.764 0.000 0.775 428 E N -1.011 119.053 120.200 -0.227 0.000 2.359 428 E HA 0.012 4.362 4.350 -0.001 0.000 0.187 428 E C 1.607 178.161 176.600 -0.077 0.000 1.081 428 E CA 0.016 56.365 56.400 -0.086 0.000 0.929 428 E CB -0.694 29.008 29.700 0.002 0.000 1.086 428 E HN 0.313 nan 8.360 nan 0.000 0.462 429 Q N 0.424 120.169 119.800 -0.092 0.000 2.118 429 Q HA -0.193 4.146 4.340 -0.001 0.000 0.211 429 Q C 0.102 176.075 176.000 -0.045 0.000 0.998 429 Q CA 1.467 57.237 55.803 -0.055 0.000 0.872 429 Q CB -0.100 28.627 28.738 -0.017 0.000 0.925 429 Q HN 0.232 nan 8.270 nan 0.000 0.414 430 N N 0.209 118.882 118.700 -0.045 0.000 2.733 430 N HA 0.045 4.784 4.740 -0.001 0.000 0.271 430 N C -0.978 174.484 175.510 -0.080 0.000 1.720 430 N CA -0.181 52.839 53.050 -0.050 0.000 0.803 430 N CB 0.697 39.166 38.487 -0.031 0.000 1.208 430 N HN 0.192 nan 8.380 nan 0.000 0.498 431 N N 0.259 118.882 118.700 -0.128 0.000 2.234 431 N HA 0.193 4.933 4.740 -0.001 0.000 0.227 431 N C 1.040 176.297 175.510 -0.420 0.000 1.151 431 N CA 0.175 53.089 53.050 -0.227 0.000 0.865 431 N CB 0.459 38.821 38.487 -0.208 0.000 1.066 431 N HN 0.343 nan 8.380 nan 0.000 0.515 432 G N -0.689 107.963 108.800 -0.246 0.000 2.225 432 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.254 432 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.254 432 G C -0.562 174.327 174.900 -0.019 0.000 0.988 432 G CA 0.546 45.543 45.100 -0.173 0.000 0.625 432 G HN 0.358 nan 8.290 nan 0.000 0.527 433 Y N 0.509 120.787 120.300 -0.036 0.000 2.488 433 Y HA 0.621 5.171 4.550 -0.001 0.000 0.325 433 Y C -2.166 173.483 175.900 -0.418 0.000 1.204 433 Y CA -3.468 54.461 58.100 -0.285 0.000 1.229 433 Y CB 0.562 38.921 38.460 -0.168 0.000 1.274 433 Y HN -0.112 nan 8.280 nan 0.000 0.493 434 P HA 0.101 nan 4.420 nan 0.000 0.271 434 P C -0.125 177.001 177.300 -0.289 0.000 1.220 434 P CA 0.198 63.045 63.100 -0.422 0.000 0.768 434 P CB 0.858 32.174 31.700 -0.639 0.000 0.848 435 D N 2.449 122.761 120.400 -0.145 0.000 2.116 435 D HA -0.188 4.452 4.640 -0.001 0.000 0.193 435 D C 1.640 177.885 176.300 -0.091 0.000 0.998 435 D CA 1.242 55.187 54.000 -0.091 0.000 0.836 435 D CB -0.544 40.214 40.800 -0.069 0.000 0.951 435 D HN 0.376 nan 8.370 nan 0.000 0.449 436 I N 0.220 120.713 120.570 -0.128 0.000 2.335 436 I HA -0.239 3.930 4.170 -0.001 0.000 0.251 436 I C 1.788 177.838 176.117 -0.111 0.000 1.129 436 I CA 0.966 62.202 61.300 -0.106 0.000 1.402 436 I CB 0.113 38.058 38.000 -0.093 0.000 1.069 436 I HN 0.029 nan 8.210 nan 0.000 0.424 437 L N -0.087 120.965 121.223 -0.286 0.000 2.240 437 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 437 L C 1.998 178.974 176.870 0.176 0.000 1.106 437 L CA 0.698 55.397 54.840 -0.235 0.000 0.793 437 L CB -0.703 40.823 42.059 -0.888 0.000 0.927 437 L HN 0.243 nan 8.230 nan 0.000 0.446 438 D N 0.121 120.605 120.400 0.140 0.000 2.144 438 D HA -0.208 4.431 4.640 -0.001 0.000 0.199 438 D C 1.994 178.449 176.300 0.258 0.000 0.984 438 D CA 1.177 55.345 54.000 0.279 0.000 0.834 438 D CB 0.230 41.140 40.800 0.184 0.000 0.955 438 D HN 0.248 nan 8.370 nan 0.000 0.465 439 E N 1.104 121.437 120.200 0.221 0.000 2.028 439 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 439 E C 1.965 178.801 176.600 0.394 0.000 0.988 439 E CA 1.399 58.006 56.400 0.345 0.000 0.799 439 E CB -0.367 29.513 29.700 0.299 0.000 0.755 439 E HN 0.133 nan 8.360 nan 0.000 0.447 440 A N 0.985 123.974 122.820 0.282 0.000 1.892 440 A HA -0.265 4.055 4.320 -0.001 0.000 0.218 440 A C 2.303 179.894 177.584 0.011 0.000 1.188 440 A CA 2.107 54.254 52.037 0.184 0.000 0.631 440 A CB -0.737 18.366 19.000 0.172 0.000 0.822 440 A HN 0.284 nan 8.150 nan 0.000 0.447 441 R N -1.513 119.057 120.500 0.118 0.000 2.152 441 R HA -0.186 4.153 4.340 -0.001 0.000 0.232 441 R C 2.084 178.270 176.300 -0.191 0.000 1.117 441 R CA 1.430 57.496 56.100 -0.058 0.000 0.981 441 R CB -0.351 29.795 30.300 -0.258 0.000 0.870 441 R HN 0.822 nan 8.270 nan 0.000 0.451 442 W N 1.647 122.786 121.300 -0.269 0.000 2.342 442 W HA -0.217 4.442 4.660 -0.001 0.000 0.297 442 W C 1.443 177.625 176.519 -0.562 0.000 1.213 442 W CA 1.950 59.093 57.345 -0.336 0.000 1.251 442 W CB -0.030 29.290 29.460 -0.233 0.000 1.136 442 W HN 0.185 nan 8.180 nan 0.000 0.526 443 E N 0.252 120.017 120.200 -0.725 0.000 2.170 443 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 443 E C 2.037 178.149 176.600 -0.813 0.000 0.981 443 E CA 1.143 56.958 56.400 -0.975 0.000 0.830 443 E CB -0.598 28.152 29.700 -1.582 0.000 0.775 443 E HN 0.046 nan 8.360 nan 0.000 0.470 444 I N 1.325 121.522 120.570 -0.622 0.000 2.353 444 I HA -0.148 4.022 4.170 -0.001 0.000 0.248 444 I C 1.809 177.756 176.117 -0.283 0.000 1.119 444 I CA 1.068 62.077 61.300 -0.485 0.000 1.417 444 I CB -0.908 36.961 38.000 -0.219 0.000 1.078 444 I HN 0.211 nan 8.210 nan 0.000 0.421 445 E N 0.348 120.389 120.200 -0.264 0.000 2.153 445 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 445 E C 2.098 178.605 176.600 -0.155 0.000 0.988 445 E CA 1.097 57.367 56.400 -0.218 0.000 0.811 445 E CB -0.427 29.050 29.700 -0.372 0.000 0.746 445 E HN 0.549 nan 8.360 nan 0.000 0.466 446 F N 0.203 119.966 119.950 -0.311 0.000 2.234 446 F HA -0.058 4.469 4.527 -0.001 0.000 0.296 446 F C 2.086 177.951 175.800 0.109 0.000 1.089 446 F CA 0.892 58.801 58.000 -0.153 0.000 1.343 446 F CB -0.286 38.596 39.000 -0.196 0.000 1.040 446 F HN -0.111 nan 8.300 nan 0.000 0.498 447 F N 1.153 120.870 119.950 -0.388 0.000 2.095 447 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 447 F C 2.381 178.085 175.800 -0.161 0.000 1.104 447 F CA 1.057 58.828 58.000 -0.382 0.000 1.232 447 F CB -0.444 38.340 39.000 -0.360 0.000 0.987 447 F HN -0.088 nan 8.300 nan 0.000 0.475 448 K N 0.722 121.143 120.400 0.035 0.000 2.074 448 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 448 K C 1.727 178.378 176.600 0.084 0.000 1.048 448 K CA 1.542 57.892 56.287 0.105 0.000 0.926 448 K CB -0.292 32.204 32.500 -0.007 0.000 0.713 448 K HN 0.299 nan 8.250 nan 0.000 0.444 449 K N -0.041 120.344 120.400 -0.025 0.000 2.283 449 K HA 0.008 4.327 4.320 -0.001 0.000 0.202 449 K C 1.851 178.425 176.600 -0.044 0.000 1.048 449 K CA 0.725 56.989 56.287 -0.039 0.000 0.948 449 K CB 0.062 32.532 32.500 -0.049 0.000 0.742 449 K HN 0.122 nan 8.250 nan 0.000 0.458 450 M N 0.802 120.338 119.600 -0.107 0.000 2.558 450 M HA -0.018 4.462 4.480 -0.001 0.000 0.255 450 M C 0.926 177.240 176.300 0.023 0.000 1.113 450 M CA 0.674 55.933 55.300 -0.068 0.000 1.097 450 M CB -0.356 32.094 32.600 -0.250 0.000 1.426 450 M HN 0.175 nan 8.290 nan 0.000 0.488 451 Q N 1.735 121.523 119.800 -0.020 0.000 2.304 451 Q HA 0.241 4.581 4.340 -0.001 0.000 0.260 451 Q C -0.938 174.997 176.000 -0.108 0.000 0.965 451 Q CA -0.164 55.529 55.803 -0.184 0.000 0.898 451 Q CB 1.227 29.805 28.738 -0.266 0.000 1.196 451 Q HN 0.018 nan 8.270 nan 0.000 0.402 452 V N 4.102 123.912 119.914 -0.174 0.000 2.649 452 V HA 0.190 4.309 4.120 -0.001 0.000 0.292 452 V C 0.675 176.672 176.094 -0.163 0.000 1.055 452 V CA -0.103 62.110 62.300 -0.145 0.000 1.023 452 V CB 1.076 32.777 31.823 -0.203 0.000 0.992 452 V HN 1.014 nan 8.190 nan 0.000 0.480 453 T N 0.673 115.128 114.554 -0.165 0.000 2.936 453 T HA 0.362 4.711 4.350 -0.001 0.000 0.282 453 T C 0.877 175.483 174.700 -0.157 0.000 1.003 453 T CA -0.622 61.392 62.100 -0.142 0.000 1.005 453 T CB 1.589 70.384 68.868 -0.121 0.000 1.097 453 T HN 0.521 nan 8.240 nan 0.000 0.532 454 E N 0.403 120.533 120.200 -0.116 0.000 2.085 454 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 454 E C 1.885 178.417 176.600 -0.114 0.000 0.994 454 E CA 1.334 57.673 56.400 -0.101 0.000 0.801 454 E CB -0.223 29.434 29.700 -0.070 0.000 0.743 454 E HN 0.794 nan 8.360 nan 0.000 0.453 455 K N 0.670 120.999 120.400 -0.118 0.000 2.283 455 K HA -0.134 4.185 4.320 -0.001 0.000 0.202 455 K C 1.752 178.240 176.600 -0.186 0.000 1.048 455 K CA 1.088 57.304 56.287 -0.119 0.000 0.948 455 K CB 0.157 32.599 32.500 -0.095 0.000 0.742 455 K HN 0.089 nan 8.250 nan 0.000 0.458 456 E N -0.161 119.863 120.200 -0.294 0.000 2.033 456 E HA -0.088 4.261 4.350 -0.001 0.000 0.189 456 E C -0.091 176.253 176.600 -0.426 0.000 0.979 456 E CA 0.769 56.825 56.400 -0.573 0.000 0.802 456 E CB 0.278 29.424 29.700 -0.925 0.000 0.763 456 E HN 0.131 nan 8.360 nan 0.000 0.449 457 D N -1.590 118.648 120.400 -0.271 0.000 2.300 457 D HA 0.101 4.740 4.640 -0.001 0.000 0.218 457 D C -2.404 173.827 176.300 -0.114 0.000 1.326 457 D CA -1.542 52.375 54.000 -0.139 0.000 0.942 457 D CB 1.269 42.025 40.800 -0.075 0.000 1.495 457 D HN -0.274 nan 8.370 nan 0.000 0.545 458 P HA -0.098 nan 4.420 nan 0.000 0.216 458 P C 1.277 178.553 177.300 -0.039 0.000 1.150 458 P CA 0.914 63.980 63.100 -0.057 0.000 0.837 458 P CB 0.379 32.056 31.700 -0.038 0.000 0.786 459 S N -0.284 115.397 115.700 -0.031 0.000 2.419 459 S HA -0.117 4.352 4.470 -0.001 0.000 0.235 459 S C 1.518 176.091 174.600 -0.044 0.000 1.019 459 S CA 1.418 59.618 58.200 0.002 0.000 0.982 459 S CB -0.850 62.349 63.200 -0.002 0.000 0.789 459 S HN 0.361 nan 8.310 nan 0.000 0.490 460 I N -2.045 118.420 120.570 -0.174 0.000 3.621 460 I HA 0.562 4.732 4.170 -0.001 0.000 0.325 460 I C 0.101 176.046 176.117 -0.288 0.000 1.554 460 I CA -0.883 60.179 61.300 -0.395 0.000 1.053 460 I CB 0.039 37.790 38.000 -0.415 0.000 1.302 460 I HN -0.013 nan 8.210 nan 0.000 0.518 461 A N 1.368 124.085 122.820 -0.172 0.000 2.531 461 A HA 0.484 4.803 4.320 -0.001 0.000 0.236 461 A C 1.566 179.053 177.584 -0.163 0.000 1.062 461 A CA 1.047 52.990 52.037 -0.157 0.000 0.760 461 A CB -0.297 18.639 19.000 -0.107 0.000 0.995 461 A HN 1.339 nan 8.150 nan 0.000 0.501 462 G N 0.724 109.405 108.800 -0.197 0.000 2.217 462 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.246 462 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.246 462 G C 0.350 175.050 174.900 -0.333 0.000 0.990 462 G CA 0.425 45.389 45.100 -0.227 0.000 0.627 462 G HN 0.637 nan 8.290 nan 0.000 0.522 463 M N 0.550 119.952 119.600 -0.331 0.000 2.227 463 M HA 0.570 5.050 4.480 -0.001 0.000 0.316 463 M C 0.396 176.442 176.300 -0.423 0.000 1.144 463 M CA -0.288 54.788 55.300 -0.374 0.000 1.121 463 M CB 1.354 33.729 32.600 -0.375 0.000 1.440 463 M HN 0.023 nan 8.290 nan 0.000 0.473 464 V N 1.777 121.450 119.914 -0.403 0.000 2.409 464 V HA 0.237 4.356 4.120 -0.001 0.000 0.291 464 V C 0.183 176.146 176.094 -0.217 0.000 1.020 464 V CA -0.951 61.141 62.300 -0.346 0.000 0.848 464 V CB 1.078 32.675 31.823 -0.378 0.000 0.990 464 V HN 0.652 nan 8.190 nan 0.000 0.430 465 H N 3.129 122.129 119.070 -0.116 0.000 3.115 465 H HA -0.081 4.475 4.556 -0.001 0.000 0.324 465 H C 1.159 176.472 175.328 -0.026 0.000 1.007 465 H CA 1.056 57.074 56.048 -0.049 0.000 1.385 465 H CB 0.823 30.562 29.762 -0.038 0.000 1.351 465 H HN 0.808 nan 8.280 nan 0.000 0.592 466 H N 3.134 122.228 119.070 0.040 0.000 2.352 466 H HA -0.076 4.479 4.556 -0.001 0.000 0.299 466 H C 0.322 175.685 175.328 0.057 0.000 1.097 466 H CA 2.051 58.118 56.048 0.030 0.000 1.311 466 H CB 0.489 30.274 29.762 0.038 0.000 1.377 466 H HN 0.710 nan 8.280 nan 0.000 0.504 467 K N -1.464 118.965 120.400 0.049 0.000 2.711 467 K HA 0.240 4.559 4.320 -0.001 0.000 0.294 467 K C -1.788 174.729 176.600 -0.137 0.000 1.037 467 K CA -0.882 55.359 56.287 -0.076 0.000 0.858 467 K CB 0.848 33.253 32.500 -0.158 0.000 1.521 467 K HN 0.049 nan 8.250 nan 0.000 0.386 468 I N 2.216 122.663 120.570 -0.203 0.000 2.571 468 I HA 0.494 4.663 4.170 -0.001 0.000 0.289 468 I C -1.853 174.119 176.117 -0.241 0.000 1.115 468 I CA -0.007 61.173 61.300 -0.200 0.000 1.045 468 I CB 1.547 39.524 38.000 -0.039 0.000 1.238 468 I HN 1.028 nan 8.210 nan 0.000 0.424 469 H N 4.630 123.687 119.070 -0.021 0.000 2.917 469 H HA 0.520 5.075 4.556 -0.001 0.000 0.269 469 H C -1.263 174.085 175.328 0.034 0.000 1.488 469 H CA -0.862 55.144 56.048 -0.070 0.000 1.173 469 H CB 0.172 29.820 29.762 -0.191 0.000 1.868 469 H HN 0.291 nan 8.280 nan 0.000 0.600 470 D N -0.028 120.531 120.400 0.265 0.000 2.419 470 D HA -0.046 4.594 4.640 -0.001 0.000 0.236 470 D C 0.635 177.120 176.300 0.308 0.000 1.165 470 D CA 0.059 54.165 54.000 0.177 0.000 0.882 470 D CB 0.471 41.298 40.800 0.045 0.000 1.201 470 D HN 0.411 nan 8.370 nan 0.000 0.443 471 F N 1.738 121.709 119.950 0.035 0.000 2.186 471 F HA -0.079 4.448 4.527 -0.001 0.000 0.299 471 F C 0.831 176.673 175.800 0.069 0.000 1.090 471 F CA 1.402 59.387 58.000 -0.026 0.000 1.307 471 F CB 0.361 39.318 39.000 -0.072 0.000 1.019 471 F HN 0.084 nan 8.300 nan 0.000 0.489 472 R N -1.963 118.503 120.500 -0.057 0.000 2.799 472 R HA 0.132 4.472 4.340 -0.001 0.000 0.270 472 R C -1.571 174.644 176.300 -0.142 0.000 1.010 472 R CA -0.899 55.090 56.100 -0.185 0.000 0.916 472 R CB -0.041 30.204 30.300 -0.093 0.000 1.228 472 R HN 0.035 nan 8.270 nan 0.000 0.469 473 W N 1.503 122.766 121.300 -0.061 0.000 2.216 473 W HA 0.133 4.793 4.660 -0.001 0.000 0.326 473 W C 1.221 177.712 176.519 -0.046 0.000 1.319 473 W CA 0.177 57.474 57.345 -0.080 0.000 1.213 473 W CB 0.688 30.065 29.460 -0.138 0.000 1.171 473 W HN 0.477 nan 8.180 nan 0.000 0.557 474 T N 0.341 115.059 114.554 0.273 0.000 2.912 474 T HA 0.822 5.172 4.350 -0.001 0.000 0.280 474 T C 0.070 174.830 174.700 0.101 0.000 0.989 474 T CA -1.007 61.178 62.100 0.141 0.000 0.995 474 T CB 1.499 70.424 68.868 0.096 0.000 1.077 474 T HN 0.525 nan 8.240 nan 0.000 0.531 475 A N 0.813 123.661 122.820 0.047 0.000 2.256 475 A HA 0.690 5.009 4.320 -0.001 0.000 0.318 475 A C -0.154 177.399 177.584 -0.051 0.000 1.103 475 A CA -0.852 51.194 52.037 0.014 0.000 0.860 475 A CB 0.049 19.069 19.000 0.033 0.000 1.182 475 A HN 0.748 nan 8.150 nan 0.000 0.501 476 L N 0.448 121.627 121.223 -0.074 0.000 2.467 476 L HA 0.453 4.793 4.340 -0.001 0.000 0.270 476 L C 1.334 178.079 176.870 -0.208 0.000 1.205 476 L CA 1.987 56.725 54.840 -0.170 0.000 0.828 476 L CB 0.447 42.415 42.059 -0.151 0.000 1.101 476 L HN 1.414 nan 8.230 nan 0.000 0.479 477 G N 2.957 111.501 108.800 -0.426 0.000 2.288 477 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.205 477 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.205 477 G C -0.432 174.198 174.900 -0.450 0.000 1.071 477 G CA 0.123 44.761 45.100 -0.769 0.000 0.788 477 G HN 0.618 nan 8.290 nan 0.000 0.491 478 M N -0.328 119.059 119.600 -0.354 0.000 2.470 478 M HA 0.766 5.245 4.480 -0.001 0.000 0.285 478 M C -1.540 174.663 176.300 -0.160 0.000 1.213 478 M CA -1.000 54.215 55.300 -0.143 0.000 0.901 478 M CB 1.690 34.255 32.600 -0.058 0.000 1.718 478 M HN 0.021 nan 8.290 nan 0.000 0.469 479 L N 4.912 125.999 121.223 -0.226 0.000 2.360 479 L HA 0.538 4.877 4.340 -0.001 0.000 0.271 479 L C -1.870 174.773 176.870 -0.378 0.000 1.057 479 L CA -1.439 53.186 54.840 -0.358 0.000 0.803 479 L CB 0.771 42.616 42.059 -0.356 0.000 1.207 479 L HN 0.541 nan 8.230 nan 0.000 0.445 480 P HA -0.264 nan 4.420 nan 0.000 0.218 480 P C 1.373 178.361 177.300 -0.519 0.000 1.165 480 P CA 1.880 64.557 63.100 -0.706 0.000 0.922 480 P CB -0.151 31.338 31.700 -0.352 0.000 0.794 481 H N -0.554 118.299 119.070 -0.362 0.000 2.543 481 H HA -0.019 4.536 4.556 -0.001 0.000 0.286 481 H C 1.087 176.266 175.328 -0.249 0.000 1.037 481 H CA 1.224 57.090 56.048 -0.303 0.000 1.250 481 H CB -0.736 28.917 29.762 -0.182 0.000 1.373 481 H HN 0.289 nan 8.280 nan 0.000 0.580 482 E N 0.585 120.339 120.200 -0.742 0.000 2.400 482 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 482 E C 0.114 176.557 176.600 -0.261 0.000 1.012 482 E CA 0.013 56.104 56.400 -0.515 0.000 0.875 482 E CB 0.268 29.676 29.700 -0.487 0.000 0.859 482 E HN 0.318 nan 8.360 nan 0.000 0.498 483 D N 2.189 122.445 120.400 -0.240 0.000 2.502 483 D HA -0.062 4.578 4.640 -0.001 0.000 0.249 483 D C -1.537 174.729 176.300 -0.058 0.000 1.188 483 D CA -1.277 52.687 54.000 -0.061 0.000 0.890 483 D CB 1.007 41.841 40.800 0.057 0.000 1.140 483 D HN -0.004 nan 8.370 nan 0.000 0.505 484 P HA -0.010 nan 4.420 nan 0.000 0.257 484 P C 0.080 177.385 177.300 0.009 0.000 1.241 484 P CA -0.087 63.003 63.100 -0.017 0.000 0.816 484 P CB 0.446 32.138 31.700 -0.013 0.000 1.150 485 Q N 1.489 121.317 119.800 0.047 0.000 2.361 485 Q HA 0.176 4.516 4.340 -0.001 0.000 0.276 485 Q C -2.095 173.911 176.000 0.010 0.000 1.022 485 Q CA -1.347 54.493 55.803 0.061 0.000 0.898 485 Q CB -0.429 28.369 28.738 0.100 0.000 1.246 485 Q HN 0.201 nan 8.270 nan 0.000 0.410 486 P HA 0.061 nan 4.420 nan 0.000 0.269 486 P C -0.536 176.576 177.300 -0.314 0.000 1.209 486 P CA 0.362 63.320 63.100 -0.235 0.000 0.776 486 P CB 0.631 32.186 31.700 -0.241 0.000 0.876 487 R N 2.786 122.964 120.500 -0.537 0.000 2.445 487 R HA 0.552 4.892 4.340 -0.001 0.000 0.308 487 R C -0.713 175.187 176.300 -0.668 0.000 0.961 487 R CA -0.499 55.366 56.100 -0.392 0.000 0.862 487 R CB 1.338 31.524 30.300 -0.190 0.000 1.144 487 R HN 0.556 nan 8.270 nan 0.000 0.447 488 Y N 0.817 121.055 120.300 -0.103 0.000 2.638 488 Y HA 0.413 4.962 4.550 -0.001 0.000 0.339 488 Y C -0.180 175.735 175.900 0.024 0.000 1.084 488 Y CA -1.098 56.947 58.100 -0.092 0.000 1.068 488 Y CB 1.968 40.274 38.460 -0.256 0.000 1.294 488 Y HN 0.232 nan 8.280 nan 0.000 0.480 489 L N 3.237 124.569 121.223 0.183 0.000 2.264 489 L HA 0.482 4.821 4.340 -0.001 0.000 0.289 489 L C -0.197 176.742 176.870 0.116 0.000 1.044 489 L CA -0.882 53.940 54.840 -0.030 0.000 0.807 489 L CB 0.525 42.318 42.059 -0.444 0.000 1.192 489 L HN 0.443 nan 8.230 nan 0.000 0.425 490 R N 3.473 123.996 120.500 0.039 0.000 2.594 490 R HA 0.141 4.480 4.340 -0.001 0.000 0.272 490 R C -1.465 174.926 176.300 0.152 0.000 1.074 490 R CA -2.071 54.019 56.100 -0.016 0.000 1.105 490 R CB 0.150 30.402 30.300 -0.080 0.000 1.008 490 R HN 0.319 nan 8.270 nan 0.000 0.472 491 P HA -0.273 nan 4.420 nan 0.000 0.225 491 P C -0.418 176.882 177.300 -0.001 0.000 1.154 491 P CA 1.528 64.655 63.100 0.046 0.000 0.933 491 P CB 0.196 31.869 31.700 -0.044 0.000 0.790 492 V N -3.718 116.188 119.914 -0.014 0.000 2.791 492 V HA 0.091 4.211 4.120 -0.001 0.000 0.411 492 V C -1.091 174.945 176.094 -0.096 0.000 0.947 492 V CA -0.065 62.161 62.300 -0.123 0.000 1.798 492 V CB -0.047 31.608 31.823 -0.280 0.000 2.273 492 V HN 0.347 nan 8.190 nan 0.000 0.463 493 S N 2.037 117.699 115.700 -0.062 0.000 2.536 493 S HA 0.628 5.098 4.470 -0.001 0.000 0.271 493 S C 0.525 175.077 174.600 -0.079 0.000 1.134 493 S CA 0.072 58.236 58.200 -0.060 0.000 0.897 493 S CB 1.987 65.193 63.200 0.011 0.000 1.094 493 S HN 1.081 nan 8.310 nan 0.000 0.473 494 T N 2.493 116.968 114.554 -0.132 0.000 2.624 494 T HA -0.212 4.138 4.350 -0.001 0.000 0.268 494 T C 2.217 176.820 174.700 -0.161 0.000 1.041 494 T CA 2.358 64.353 62.100 -0.176 0.000 1.159 494 T CB -0.973 67.783 68.868 -0.187 0.000 0.863 494 T HN 1.014 nan 8.240 nan 0.000 0.434 495 A N 1.418 124.220 122.820 -0.030 0.000 1.917 495 A HA 0.051 4.370 4.320 -0.001 0.000 0.219 495 A C 2.659 180.268 177.584 0.043 0.000 1.182 495 A CA 2.137 54.203 52.037 0.049 0.000 0.633 495 A CB -1.146 17.980 19.000 0.211 0.000 0.819 495 A HN 0.569 nan 8.150 nan 0.000 0.448 496 A N -1.320 121.536 122.820 0.060 0.000 1.929 496 A HA -0.018 4.302 4.320 -0.001 0.000 0.216 496 A C 2.277 179.796 177.584 -0.108 0.000 1.176 496 A CA 2.103 54.128 52.037 -0.020 0.000 0.628 496 A CB -1.139 17.869 19.000 0.014 0.000 0.816 496 A HN 0.434 nan 8.150 nan 0.000 0.444 497 T N 0.470 114.933 114.554 -0.153 0.000 2.788 497 T HA -0.066 4.283 4.350 -0.001 0.000 0.268 497 T C 1.761 176.358 174.700 -0.171 0.000 1.044 497 T CA 1.431 63.388 62.100 -0.239 0.000 1.139 497 T CB -0.308 68.391 68.868 -0.282 0.000 0.867 497 T HN 0.352 nan 8.240 nan 0.000 0.454 498 L N 0.822 121.927 121.223 -0.196 0.000 2.131 498 L HA 0.001 4.341 4.340 -0.001 0.000 0.206 498 L C 2.622 179.379 176.870 -0.188 0.000 1.087 498 L CA 0.856 55.569 54.840 -0.211 0.000 0.767 498 L CB -0.499 41.363 42.059 -0.329 0.000 0.917 498 L HN 0.308 nan 8.230 nan 0.000 0.441 499 N N -0.166 118.472 118.700 -0.103 0.000 2.120 499 N HA -0.230 4.510 4.740 -0.001 0.000 0.188 499 N C 1.862 177.286 175.510 -0.144 0.000 1.024 499 N CA 1.461 54.438 53.050 -0.120 0.000 0.852 499 N CB -0.110 38.420 38.487 0.071 0.000 1.003 499 N HN 0.169 nan 8.380 nan 0.000 0.424 500 F N 2.271 122.052 119.950 -0.283 0.000 2.026 500 F HA -0.183 4.344 4.527 -0.001 0.000 0.296 500 F C 2.450 178.154 175.800 -0.161 0.000 1.133 500 F CA 1.629 59.496 58.000 -0.222 0.000 1.188 500 F CB -0.812 38.027 39.000 -0.267 0.000 0.968 500 F HN -0.028 nan 8.300 nan 0.000 0.476 501 A N 0.417 123.409 122.820 0.288 0.000 1.917 501 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 501 A C 2.408 179.910 177.584 -0.137 0.000 1.182 501 A CA 2.464 54.577 52.037 0.127 0.000 0.633 501 A CB -1.689 17.366 19.000 0.093 0.000 0.819 501 A HN 0.621 nan 8.150 nan 0.000 0.448 502 A N -0.537 122.077 122.820 -0.344 0.000 1.855 502 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 502 A C 2.482 179.865 177.584 -0.336 0.000 1.191 502 A CA 2.594 54.272 52.037 -0.600 0.000 0.613 502 A CB -1.445 16.626 19.000 -1.547 0.000 0.829 502 A HN 0.842 nan 8.150 nan 0.000 0.442 503 T N -2.295 112.131 114.554 -0.213 0.000 2.915 503 T HA -0.031 4.318 4.350 -0.001 0.000 0.269 503 T C 1.601 176.274 174.700 -0.044 0.000 1.071 503 T CA 1.463 63.589 62.100 0.044 0.000 1.132 503 T CB -0.330 68.680 68.868 0.236 0.000 0.878 503 T HN 0.078 nan 8.240 nan 0.000 0.479 504 L N 0.967 122.093 121.223 -0.161 0.000 2.217 504 L HA 0.364 4.703 4.340 -0.001 0.000 0.211 504 L C 2.931 179.701 176.870 -0.167 0.000 1.107 504 L CA 1.177 55.875 54.840 -0.236 0.000 0.783 504 L CB -0.767 41.054 42.059 -0.396 0.000 0.919 504 L HN 0.406 nan 8.230 nan 0.000 0.442 505 A N -1.138 121.599 122.820 -0.139 0.000 1.872 505 A HA -0.229 4.090 4.320 -0.001 0.000 0.214 505 A C 2.257 179.802 177.584 -0.065 0.000 1.187 505 A CA 1.416 53.379 52.037 -0.124 0.000 0.614 505 A CB -0.518 18.373 19.000 -0.180 0.000 0.826 505 A HN 0.464 nan 8.150 nan 0.000 0.442 506 Q N -0.435 119.350 119.800 -0.026 0.000 2.124 506 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 506 Q C 2.212 178.242 176.000 0.050 0.000 0.977 506 Q CA 1.833 57.658 55.803 0.036 0.000 0.850 506 Q CB -0.200 28.595 28.738 0.094 0.000 0.901 506 Q HN 0.574 nan 8.270 nan 0.000 0.429 507 S N -0.627 115.093 115.700 0.033 0.000 2.383 507 S HA -0.084 4.386 4.470 -0.001 0.000 0.227 507 S C 1.887 176.545 174.600 0.097 0.000 1.026 507 S CA 0.951 59.216 58.200 0.107 0.000 0.981 507 S CB -0.295 62.908 63.200 0.004 0.000 0.818 507 S HN 0.563 nan 8.310 nan 0.000 0.472 508 A N 2.562 125.361 122.820 -0.035 0.000 1.908 508 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 508 A C 2.098 179.705 177.584 0.038 0.000 1.181 508 A CA 1.911 53.919 52.037 -0.048 0.000 0.627 508 A CB -0.732 18.215 19.000 -0.089 0.000 0.818 508 A HN 0.793 nan 8.150 nan 0.000 0.445 509 R N -0.584 119.943 120.500 0.044 0.000 2.193 509 R HA 0.211 4.551 4.340 -0.001 0.000 0.213 509 R C 1.521 177.885 176.300 0.105 0.000 1.055 509 R CA 1.159 57.293 56.100 0.058 0.000 0.995 509 R CB -0.435 29.885 30.300 0.033 0.000 0.893 509 R HN 0.444 nan 8.270 nan 0.000 0.459 510 L N -1.136 120.172 121.223 0.142 0.000 2.307 510 L HA 0.118 4.458 4.340 -0.001 0.000 0.211 510 L C 1.260 178.205 176.870 0.124 0.000 1.099 510 L CA 0.590 55.519 54.840 0.148 0.000 0.816 510 L CB -0.054 42.067 42.059 0.103 0.000 0.952 510 L HN 0.206 nan 8.230 nan 0.000 0.455 511 W N -0.061 121.299 121.300 0.101 0.000 3.278 511 W HA 0.079 4.739 4.660 -0.001 0.000 0.308 511 W C 2.329 178.917 176.519 0.115 0.000 1.253 511 W CA -0.152 57.275 57.345 0.136 0.000 1.759 511 W CB 0.288 29.836 29.460 0.147 0.000 1.093 511 W HN -0.040 nan 8.180 nan 0.000 0.648 512 K N 0.622 121.172 120.400 0.250 0.000 2.113 512 K HA -0.216 4.104 4.320 -0.001 0.000 0.208 512 K C 0.989 177.628 176.600 0.066 0.000 1.047 512 K CA 1.988 58.354 56.287 0.131 0.000 0.928 512 K CB -0.043 32.498 32.500 0.068 0.000 0.716 512 K HN -0.005 nan 8.250 nan 0.000 0.446 513 D N -1.022 119.368 120.400 -0.018 0.000 2.277 513 D HA -0.078 4.561 4.640 -0.001 0.000 0.208 513 D C 1.206 177.280 176.300 -0.377 0.000 0.962 513 D CA 0.998 54.841 54.000 -0.261 0.000 0.865 513 D CB 0.091 40.593 40.800 -0.496 0.000 0.939 513 D HN 0.345 nan 8.370 nan 0.000 0.510 514 Y N -0.395 119.963 120.300 0.097 0.000 2.500 514 Y HA 0.165 4.714 4.550 -0.001 0.000 0.284 514 Y C 0.690 176.721 175.900 0.219 0.000 1.118 514 Y CA 0.060 58.249 58.100 0.149 0.000 1.241 514 Y CB 0.855 39.299 38.460 -0.027 0.000 1.171 514 Y HN -0.233 nan 8.280 nan 0.000 0.540 515 D N -0.678 119.933 120.400 0.350 0.000 2.586 515 D HA 0.219 4.858 4.640 -0.001 0.000 0.254 515 D C -2.476 173.951 176.300 0.212 0.000 1.248 515 D CA -1.976 52.176 54.000 0.253 0.000 0.843 515 D CB 1.016 41.866 40.800 0.083 0.000 1.332 515 D HN -0.081 nan 8.370 nan 0.000 0.523 516 P HA -0.172 nan 4.420 nan 0.000 0.218 516 P C 1.270 178.609 177.300 0.066 0.000 1.154 516 P CA 1.653 64.809 63.100 0.094 0.000 0.872 516 P CB 0.353 32.094 31.700 0.069 0.000 0.790 517 T N -1.579 113.021 114.554 0.076 0.000 2.777 517 T HA -0.148 4.201 4.350 -0.001 0.000 0.266 517 T C 1.511 176.233 174.700 0.036 0.000 1.040 517 T CA 1.032 63.161 62.100 0.049 0.000 1.141 517 T CB -1.017 67.885 68.868 0.057 0.000 0.868 517 T HN 0.120 nan 8.240 nan 0.000 0.444 518 F N 2.027 121.908 119.950 -0.114 0.000 2.128 518 F HA 0.114 4.640 4.527 -0.001 0.000 0.295 518 F C 2.521 178.210 175.800 -0.185 0.000 1.100 518 F CA 0.946 58.815 58.000 -0.218 0.000 1.260 518 F CB -0.382 38.371 39.000 -0.412 0.000 1.009 518 F HN 0.136 nan 8.300 nan 0.000 0.476 519 A N 0.571 123.280 122.820 -0.186 0.000 1.933 519 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 519 A C 2.336 179.799 177.584 -0.202 0.000 1.175 519 A CA 1.773 53.691 52.037 -0.197 0.000 0.628 519 A CB -1.508 17.534 19.000 0.070 0.000 0.814 519 A HN 0.528 nan 8.150 nan 0.000 0.444 520 A N -0.091 122.655 122.820 -0.124 0.000 1.898 520 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 520 A C 1.825 179.332 177.584 -0.127 0.000 1.181 520 A CA 2.008 53.990 52.037 -0.093 0.000 0.620 520 A CB -0.692 18.282 19.000 -0.043 0.000 0.819 520 A HN 0.572 nan 8.150 nan 0.000 0.442 521 D N -0.984 119.316 120.400 -0.166 0.000 2.218 521 D HA -0.135 4.504 4.640 -0.001 0.000 0.204 521 D C 1.740 177.912 176.300 -0.213 0.000 0.976 521 D CA 1.513 55.419 54.000 -0.156 0.000 0.853 521 D CB -0.315 40.403 40.800 -0.137 0.000 0.939 521 D HN 0.394 nan 8.370 nan 0.000 0.481 522 C N -0.220 118.858 119.300 -0.370 0.000 2.436 522 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 522 C C 2.578 177.449 174.990 -0.199 0.000 1.241 522 C CA 0.598 59.385 59.018 -0.385 0.000 1.721 522 C CB -1.247 26.166 27.740 -0.545 0.000 2.043 522 C HN 0.497 nan 8.230 nan 0.000 0.472 523 L N 1.666 122.794 121.223 -0.158 0.000 2.012 523 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 523 L C 2.489 179.341 176.870 -0.029 0.000 1.073 523 L CA 2.210 57.001 54.840 -0.082 0.000 0.748 523 L CB -1.110 40.911 42.059 -0.063 0.000 0.891 523 L HN 0.446 nan 8.230 nan 0.000 0.431 524 E N -0.831 119.350 120.200 -0.031 0.000 2.204 524 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 524 E C 1.709 178.330 176.600 0.035 0.000 0.990 524 E CA 0.925 57.327 56.400 0.004 0.000 0.821 524 E CB 0.142 29.837 29.700 -0.010 0.000 0.750 524 E HN 0.439 nan 8.360 nan 0.000 0.477 525 K N 0.028 120.457 120.400 0.047 0.000 2.137 525 K HA 0.045 4.365 4.320 -0.001 0.000 0.202 525 K C 2.035 178.790 176.600 0.259 0.000 1.052 525 K CA 0.856 57.235 56.287 0.154 0.000 0.961 525 K CB -0.379 32.262 32.500 0.234 0.000 0.741 525 K HN 0.129 nan 8.250 nan 0.000 0.452 526 A N 2.014 124.947 122.820 0.189 0.000 1.908 526 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 526 A C 2.033 179.709 177.584 0.153 0.000 1.181 526 A CA 1.722 53.866 52.037 0.179 0.000 0.627 526 A CB -0.389 18.611 19.000 -0.000 0.000 0.818 526 A HN 0.394 nan 8.150 nan 0.000 0.445 527 E N -0.605 119.671 120.200 0.126 0.000 2.107 527 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 527 E C 1.849 178.571 176.600 0.202 0.000 0.982 527 E CA 0.929 57.448 56.400 0.197 0.000 0.809 527 E CB -0.242 29.565 29.700 0.178 0.000 0.756 527 E HN 0.683 nan 8.360 nan 0.000 0.459 528 I N 1.140 121.778 120.570 0.114 0.000 2.454 528 I HA -0.235 3.934 4.170 -0.001 0.000 0.254 528 I C 2.376 178.493 176.117 0.001 0.000 1.156 528 I CA 0.692 62.024 61.300 0.053 0.000 1.433 528 I CB -0.086 37.918 38.000 0.008 0.000 1.082 528 I HN 0.077 nan 8.210 nan 0.000 0.432 529 A N 0.307 123.119 122.820 -0.014 0.000 1.935 529 A HA -0.200 4.119 4.320 -0.001 0.000 0.214 529 A C 2.200 179.770 177.584 -0.023 0.000 1.178 529 A CA 0.578 52.532 52.037 -0.139 0.000 0.640 529 A CB -0.868 17.967 19.000 -0.275 0.000 0.825 529 A HN 0.706 nan 8.150 nan 0.000 0.447 530 W N 0.674 121.936 121.300 -0.062 0.000 2.363 530 W HA -0.154 4.506 4.660 -0.001 0.000 0.296 530 W C 1.629 178.176 176.519 0.048 0.000 1.212 530 W CA 1.907 59.236 57.345 -0.026 0.000 1.260 530 W CB -0.198 29.270 29.460 0.014 0.000 1.131 530 W HN 0.347 nan 8.180 nan 0.000 0.530 531 Q N 0.621 120.498 119.800 0.128 0.000 2.079 531 Q HA -0.097 4.243 4.340 -0.001 0.000 0.200 531 Q C 2.510 178.480 176.000 -0.049 0.000 0.974 531 Q CA 1.991 57.819 55.803 0.043 0.000 0.840 531 Q CB -0.957 27.858 28.738 0.129 0.000 0.898 531 Q HN 0.368 nan 8.270 nan 0.000 0.430 532 A N 0.656 123.456 122.820 -0.033 0.000 2.015 532 A HA 0.007 4.326 4.320 -0.001 0.000 0.219 532 A C 2.220 179.824 177.584 0.032 0.000 1.163 532 A CA 1.501 53.547 52.037 0.016 0.000 0.646 532 A CB -0.414 18.558 19.000 -0.045 0.000 0.806 532 A HN 0.332 nan 8.150 nan 0.000 0.448 533 A N -0.329 122.422 122.820 -0.115 0.000 2.015 533 A HA 0.072 4.392 4.320 -0.001 0.000 0.219 533 A C 2.058 179.647 177.584 0.007 0.000 1.163 533 A CA 1.196 53.150 52.037 -0.140 0.000 0.646 533 A CB -0.448 18.311 19.000 -0.401 0.000 0.806 533 A HN 0.466 nan 8.150 nan 0.000 0.448 534 L N -0.997 120.156 121.223 -0.117 0.000 2.156 534 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 534 L C 2.371 179.162 176.870 -0.132 0.000 1.095 534 L CA 1.269 56.031 54.840 -0.130 0.000 0.770 534 L CB -0.285 41.637 42.059 -0.228 0.000 0.914 534 L HN 0.311 nan 8.230 nan 0.000 0.439 535 K N -0.781 119.516 120.400 -0.172 0.000 2.296 535 K HA -0.034 4.286 4.320 -0.001 0.000 0.200 535 K C -0.142 176.093 176.600 -0.609 0.000 1.048 535 K CA 0.724 56.782 56.287 -0.381 0.000 0.966 535 K CB 0.144 32.365 32.500 -0.465 0.000 0.754 535 K HN 0.406 nan 8.250 nan 0.000 0.466 536 H N -0.711 118.314 119.070 -0.075 0.000 2.511 536 H HA 0.115 4.670 4.556 -0.001 0.000 0.228 536 H C -2.232 173.048 175.328 -0.080 0.000 1.424 536 H CA -1.554 54.442 56.048 -0.088 0.000 1.321 536 H CB 0.666 30.361 29.762 -0.112 0.000 1.720 536 H HN 0.015 nan 8.280 nan 0.000 0.512 537 P HA -0.040 nan 4.420 nan 0.000 0.242 537 P C -0.145 177.164 177.300 0.014 0.000 1.197 537 P CA 0.806 64.005 63.100 0.165 0.000 0.765 537 P CB 0.475 32.238 31.700 0.105 0.000 0.936 538 D N -0.728 119.572 120.400 -0.167 0.000 2.837 538 D HA 0.128 4.768 4.640 -0.001 0.000 0.340 538 D C -0.146 175.692 176.300 -0.770 0.000 1.451 538 D CA -0.484 53.208 54.000 -0.515 0.000 0.798 538 D CB -0.681 40.026 40.800 -0.155 0.000 1.169 538 D HN 0.162 nan 8.370 nan 0.000 0.449 539 I N 1.579 121.812 120.570 -0.561 0.000 2.291 539 I HA 0.236 4.405 4.170 -0.001 0.000 0.290 539 I C -0.683 175.190 176.117 -0.405 0.000 1.050 539 I CA -0.718 60.360 61.300 -0.370 0.000 1.245 539 I CB 0.313 38.197 38.000 -0.192 0.000 1.405 539 I HN -0.089 nan 8.210 nan 0.000 0.478 540 Y N 4.427 124.732 120.300 0.008 0.000 2.341 540 Y HA 0.565 5.114 4.550 -0.001 0.000 0.337 540 Y C 0.717 176.580 175.900 -0.061 0.000 1.014 540 Y CA -1.057 57.045 58.100 0.003 0.000 1.111 540 Y CB 1.351 39.844 38.460 0.055 0.000 1.194 540 Y HN 0.592 nan 8.280 nan 0.000 0.462 541 A N 3.697 126.516 122.820 -0.002 0.000 2.492 541 A HA 0.178 4.498 4.320 -0.001 0.000 0.254 541 A C 0.363 177.954 177.584 0.011 0.000 1.091 541 A CA -0.605 51.305 52.037 -0.212 0.000 0.768 541 A CB -0.091 18.453 19.000 -0.760 0.000 1.028 541 A HN 0.730 nan 8.150 nan 0.000 0.498 542 E N 2.979 123.190 120.200 0.019 0.000 2.312 542 E HA 0.177 4.527 4.350 -0.001 0.000 0.259 542 E C -0.733 175.939 176.600 0.120 0.000 1.122 542 E CA -0.557 55.903 56.400 0.100 0.000 0.922 542 E CB 0.485 30.244 29.700 0.097 0.000 1.109 542 E HN 0.567 nan 8.360 nan 0.000 0.442 543 Y N 1.040 121.368 120.300 0.048 0.000 2.397 543 Y HA 0.272 4.822 4.550 -0.001 0.000 0.335 543 Y C -0.235 175.676 175.900 0.019 0.000 1.213 543 Y CA 0.654 58.778 58.100 0.039 0.000 1.391 543 Y CB 0.774 39.266 38.460 0.052 0.000 1.293 543 Y HN 0.638 nan 8.280 nan 0.000 0.557 544 T N 3.816 117.856 114.554 -0.857 0.000 2.923 544 T HA 0.485 4.835 4.350 -0.001 0.000 0.311 544 T C -2.966 171.142 174.700 -0.986 0.000 1.183 544 T CA -2.074 59.609 62.100 -0.694 0.000 1.020 544 T CB 1.558 70.147 68.868 -0.464 0.000 1.165 544 T HN 0.382 nan 8.240 nan 0.000 0.482 545 P HA 0.217 nan 4.420 nan 0.000 0.269 545 P C 1.115 178.259 177.300 -0.261 0.000 1.211 545 P CA -0.007 62.891 63.100 -0.336 0.000 0.781 545 P CB 0.172 31.758 31.700 -0.189 0.000 0.877 546 G N 0.186 108.919 108.800 -0.112 0.000 2.683 546 G HA2 0.045 4.004 3.960 -0.001 0.000 0.213 546 G HA3 0.045 4.004 3.960 -0.001 0.000 0.213 546 G C -0.139 174.674 174.900 -0.144 0.000 1.142 546 G CA 0.206 45.248 45.100 -0.098 0.000 0.793 546 G HN 0.505 nan 8.290 nan 0.000 0.534 547 S N -1.655 114.000 115.700 -0.076 0.000 2.548 547 S HA 0.560 5.030 4.470 -0.001 0.000 0.276 547 S C 0.738 175.358 174.600 0.032 0.000 1.129 547 S CA 0.034 58.186 58.200 -0.080 0.000 0.931 547 S CB 1.887 65.028 63.200 -0.099 0.000 1.068 547 S HN 1.100 nan 8.310 nan 0.000 0.480 548 G N 1.216 110.077 108.800 0.101 0.000 2.225 548 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.254 548 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.254 548 G C 0.452 175.360 174.900 0.013 0.000 0.988 548 G CA 0.388 45.532 45.100 0.074 0.000 0.625 548 G HN 1.177 nan 8.290 nan 0.000 0.527 549 G N 0.160 108.895 108.800 -0.109 0.000 3.099 549 G HA2 0.713 4.673 3.960 -0.001 0.000 0.151 549 G HA3 0.713 4.673 3.960 -0.001 0.000 0.151 549 G C -2.626 172.097 174.900 -0.296 0.000 1.265 549 G CA -0.514 44.353 45.100 -0.388 0.000 0.981 549 G HN 0.253 nan 8.290 nan 0.000 0.601 550 P HA 0.153 nan 4.420 nan 0.000 0.267 550 P C 0.782 177.726 177.300 -0.594 0.000 1.200 550 P CA 0.430 63.419 63.100 -0.184 0.000 0.772 550 P CB 0.746 32.343 31.700 -0.173 0.000 0.855 551 G N 1.893 110.307 108.800 -0.643 0.000 3.028 551 G HA2 0.279 4.238 3.960 -0.001 0.000 0.205 551 G HA3 0.279 4.238 3.960 -0.001 0.000 0.205 551 G C 0.540 174.048 174.900 -2.320 0.000 1.182 551 G CA 0.327 44.545 45.100 -1.469 0.000 0.860 551 G HN 0.711 nan 8.290 nan 0.000 0.507 552 G N -1.724 105.874 108.800 -2.004 0.000 2.690 552 G HA2 0.578 4.537 3.960 -0.001 0.000 0.293 552 G HA3 0.578 4.537 3.960 -0.001 0.000 0.293 552 G C 0.088 174.770 174.900 -0.363 0.000 1.399 552 G CA -0.103 44.133 45.100 -1.440 0.000 0.890 552 G HN 0.406 nan 8.290 nan 0.000 0.485 553 G N 0.112 108.961 108.800 0.083 0.000 2.630 553 G HA2 0.435 4.395 3.960 -0.001 0.000 0.236 553 G HA3 0.435 4.395 3.960 -0.001 0.000 0.236 553 G C -0.817 174.031 174.900 -0.086 0.000 1.248 553 G CA -0.403 44.612 45.100 -0.142 0.000 0.844 553 G HN 0.419 nan 8.290 nan 0.000 0.588 554 P HA -0.040 nan 4.420 nan 0.000 0.222 554 P C -0.075 177.312 177.300 0.146 0.000 1.157 554 P CA 0.162 63.239 63.100 -0.040 0.000 0.816 554 P CB 0.231 31.840 31.700 -0.151 0.000 0.813 555 Y N 1.603 121.868 120.300 -0.058 0.000 2.982 555 Y HA -0.219 4.331 4.550 -0.001 0.000 0.192 555 Y C 0.631 176.711 175.900 0.300 0.000 1.397 555 Y CA -0.109 57.885 58.100 -0.176 0.000 0.844 555 Y CB -2.260 35.953 38.460 -0.411 0.000 1.290 555 Y HN 0.298 nan 8.280 nan 0.000 0.408 556 N N 1.337 120.300 118.700 0.439 0.000 2.487 556 N HA 0.534 5.273 4.740 -0.001 0.000 0.292 556 N C -0.915 174.854 175.510 0.432 0.000 1.108 556 N CA -0.551 52.721 53.050 0.370 0.000 0.956 556 N CB 2.550 41.201 38.487 0.274 0.000 1.176 556 N HN 0.385 nan 8.380 nan 0.000 0.484 557 D N -0.191 120.403 120.400 0.324 0.000 2.937 557 D HA 0.100 4.740 4.640 -0.001 0.000 0.215 557 D C -1.081 175.287 176.300 0.114 0.000 1.274 557 D CA -0.389 53.761 54.000 0.250 0.000 0.869 557 D CB 1.456 42.454 40.800 0.331 0.000 1.675 557 D HN 0.626 nan 8.370 nan 0.000 0.538 558 D N 1.408 121.749 120.400 -0.099 0.000 2.369 558 D HA 0.069 4.708 4.640 -0.001 0.000 0.211 558 D C -0.051 175.856 176.300 -0.654 0.000 1.077 558 D CA -0.038 53.551 54.000 -0.685 0.000 0.842 558 D CB -0.116 40.413 40.800 -0.452 0.000 0.947 558 D HN 0.199 nan 8.370 nan 0.000 0.509 559 Y N 1.265 121.465 120.300 -0.167 0.000 2.326 559 Y HA 0.414 4.963 4.550 -0.001 0.000 0.329 559 Y C 0.014 176.067 175.900 0.254 0.000 0.973 559 Y CA -1.640 56.498 58.100 0.065 0.000 1.162 559 Y CB 2.009 40.499 38.460 0.051 0.000 1.147 559 Y HN -0.100 nan 8.280 nan 0.000 0.456 560 V N 3.072 122.863 119.914 -0.205 0.000 3.070 560 V HA 0.444 4.564 4.120 -0.001 0.000 0.345 560 V C 1.263 177.309 176.094 -0.079 0.000 1.403 560 V CA 0.753 62.988 62.300 -0.108 0.000 1.155 560 V CB 0.240 32.164 31.823 0.169 0.000 1.140 560 V HN 0.885 nan 8.190 nan 0.000 0.505 561 G N 2.165 110.576 108.800 -0.650 0.000 2.404 561 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.215 561 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.215 561 G C 1.194 176.296 174.900 0.337 0.000 1.174 561 G CA 1.294 46.433 45.100 0.064 0.000 0.780 561 G HN 0.691 nan 8.290 nan 0.000 0.537 562 D N 1.269 121.704 120.400 0.059 0.000 2.104 562 D HA -0.132 4.508 4.640 -0.001 0.000 0.194 562 D C 1.965 178.439 176.300 0.290 0.000 0.994 562 D CA 1.481 55.532 54.000 0.085 0.000 0.830 562 D CB -0.703 40.028 40.800 -0.115 0.000 0.959 562 D HN 0.300 nan 8.370 nan 0.000 0.452 563 E N -0.000 120.315 120.200 0.192 0.000 2.070 563 E HA -0.120 4.229 4.350 -0.001 0.000 0.197 563 E C 2.052 178.793 176.600 0.234 0.000 1.004 563 E CA 0.958 57.504 56.400 0.243 0.000 0.805 563 E CB -0.658 29.083 29.700 0.067 0.000 0.744 563 E HN 0.375 nan 8.360 nan 0.000 0.451 564 F N -0.835 119.228 119.950 0.188 0.000 2.095 564 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 564 F C 2.264 178.236 175.800 0.286 0.000 1.104 564 F CA 1.563 59.636 58.000 0.122 0.000 1.232 564 F CB -0.474 38.523 39.000 -0.005 0.000 0.987 564 F HN 0.128 nan 8.300 nan 0.000 0.475 565 Y N -0.513 120.131 120.300 0.574 0.000 2.165 565 Y HA -0.314 4.236 4.550 -0.001 0.000 0.286 565 Y C 2.226 178.384 175.900 0.429 0.000 1.155 565 Y CA 1.691 60.133 58.100 0.571 0.000 1.164 565 Y CB -0.924 37.867 38.460 0.551 0.000 0.978 565 Y HN 0.238 nan 8.280 nan 0.000 0.513 566 W N 1.170 122.493 121.300 0.037 0.000 2.353 566 W HA -0.214 4.446 4.660 -0.001 0.000 0.319 566 W C 2.560 179.011 176.519 -0.114 0.000 1.207 566 W CA 2.785 60.043 57.345 -0.145 0.000 1.291 566 W CB -1.218 28.186 29.460 -0.094 0.000 1.159 566 W HN 0.158 nan 8.180 nan 0.000 0.478 567 A N 0.726 123.500 122.820 -0.077 0.000 1.948 567 A HA -0.087 4.233 4.320 -0.001 0.000 0.220 567 A C 2.188 179.584 177.584 -0.313 0.000 1.177 567 A CA 3.119 55.004 52.037 -0.253 0.000 0.636 567 A CB -1.482 17.517 19.000 -0.002 0.000 0.815 567 A HN 0.453 nan 8.150 nan 0.000 0.449 568 A N -1.078 121.623 122.820 -0.199 0.000 1.902 568 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 568 A C 2.318 179.793 177.584 -0.181 0.000 1.181 568 A CA 1.633 53.465 52.037 -0.342 0.000 0.623 568 A CB -1.299 17.706 19.000 0.007 0.000 0.818 568 A HN 0.610 nan 8.150 nan 0.000 0.443 569 C N -0.439 118.780 119.300 -0.136 0.000 2.413 569 C HA -0.083 4.376 4.460 -0.001 0.000 0.276 569 C C 2.721 177.733 174.990 0.036 0.000 1.248 569 C CA 1.198 60.196 59.018 -0.035 0.000 1.742 569 C CB -1.028 26.639 27.740 -0.123 0.000 2.017 569 C HN 0.594 nan 8.230 nan 0.000 0.481 570 E N 0.547 120.716 120.200 -0.051 0.000 2.072 570 E HA -0.061 4.289 4.350 -0.001 0.000 0.190 570 E C 2.125 178.634 176.600 -0.152 0.000 0.982 570 E CA 0.867 57.237 56.400 -0.049 0.000 0.803 570 E CB -0.456 29.179 29.700 -0.108 0.000 0.755 570 E HN 0.644 nan 8.360 nan 0.000 0.453 571 L N 0.109 121.117 121.223 -0.358 0.000 2.156 571 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 571 L C 2.510 179.248 176.870 -0.220 0.000 1.095 571 L CA 0.769 55.270 54.840 -0.565 0.000 0.770 571 L CB -0.344 40.790 42.059 -1.542 0.000 0.914 571 L HN 0.119 nan 8.230 nan 0.000 0.439 572 Y N -0.162 120.036 120.300 -0.170 0.000 2.133 572 Y HA -0.225 4.324 4.550 -0.001 0.000 0.287 572 Y C 2.413 178.336 175.900 0.040 0.000 1.134 572 Y CA 1.686 59.814 58.100 0.047 0.000 1.133 572 Y CB -0.489 38.012 38.460 0.068 0.000 0.987 572 Y HN -0.083 nan 8.280 nan 0.000 0.502 573 V N -0.552 119.303 119.914 -0.099 0.000 2.720 573 V HA -0.212 3.908 4.120 -0.001 0.000 0.256 573 V C 1.817 177.829 176.094 -0.137 0.000 1.082 573 V CA 2.753 64.948 62.300 -0.174 0.000 1.101 573 V CB -0.656 31.166 31.823 -0.000 0.000 0.693 573 V HN 0.648 nan 8.190 nan 0.000 0.479 574 T N -0.351 114.147 114.554 -0.093 0.000 2.901 574 T HA -0.052 4.297 4.350 -0.001 0.000 0.252 574 T C 1.773 176.439 174.700 -0.056 0.000 1.035 574 T CA 1.744 63.805 62.100 -0.066 0.000 1.142 574 T CB -0.123 68.708 68.868 -0.061 0.000 0.869 574 T HN 0.768 nan 8.240 nan 0.000 0.442 575 T N -1.327 113.211 114.554 -0.026 0.000 3.040 575 T HA 0.361 4.710 4.350 -0.001 0.000 0.252 575 T C 1.897 176.586 174.700 -0.018 0.000 1.064 575 T CA 0.943 63.056 62.100 0.021 0.000 1.110 575 T CB -0.216 68.739 68.868 0.145 0.000 0.921 575 T HN 0.489 nan 8.240 nan 0.000 0.480 576 G N 2.093 110.838 108.800 -0.091 0.000 2.153 576 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.252 576 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.252 576 G C 0.009 174.933 174.900 0.040 0.000 0.994 576 G CA 0.300 45.291 45.100 -0.180 0.000 0.698 576 G HN 0.681 nan 8.290 nan 0.000 0.521 577 K N -0.198 120.267 120.400 0.107 0.000 2.319 577 K HA 0.218 4.537 4.320 -0.001 0.000 0.265 577 K C 0.853 177.491 176.600 0.063 0.000 1.000 577 K CA -0.200 56.095 56.287 0.013 0.000 0.943 577 K CB 0.466 32.845 32.500 -0.202 0.000 0.950 577 K HN -0.003 nan 8.250 nan 0.000 0.485 578 D N 2.063 122.458 120.400 -0.008 0.000 2.097 578 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 578 D C 1.785 178.067 176.300 -0.030 0.000 0.984 578 D CA 1.440 55.449 54.000 0.014 0.000 0.826 578 D CB 0.114 40.912 40.800 -0.002 0.000 0.973 578 D HN 0.697 nan 8.370 nan 0.000 0.460 579 E N -0.282 119.833 120.200 -0.141 0.000 2.130 579 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 579 E C 1.795 178.372 176.600 -0.038 0.000 0.998 579 E CA 1.200 57.524 56.400 -0.126 0.000 0.806 579 E CB -0.779 28.782 29.700 -0.232 0.000 0.738 579 E HN 0.502 nan 8.360 nan 0.000 0.459 580 Y N 0.804 121.101 120.300 -0.005 0.000 2.395 580 Y HA 0.030 4.580 4.550 -0.001 0.000 0.293 580 Y C 2.535 178.430 175.900 -0.010 0.000 1.123 580 Y CA 0.648 58.696 58.100 -0.088 0.000 1.227 580 Y CB 0.092 38.458 38.460 -0.156 0.000 1.012 580 Y HN -0.017 nan 8.280 nan 0.000 0.552 581 K N 0.593 121.045 120.400 0.087 0.000 2.062 581 K HA -0.130 4.189 4.320 -0.001 0.000 0.205 581 K C 1.542 178.097 176.600 -0.075 0.000 1.051 581 K CA 1.161 57.336 56.287 -0.186 0.000 0.941 581 K CB 0.015 32.410 32.500 -0.175 0.000 0.719 581 K HN 0.232 nan 8.250 nan 0.000 0.440 582 N N -0.010 118.696 118.700 0.010 0.000 2.223 582 N HA -0.188 4.552 4.740 -0.001 0.000 0.185 582 N C 1.558 177.094 175.510 0.043 0.000 1.016 582 N CA 1.056 54.108 53.050 0.003 0.000 0.863 582 N CB -0.262 38.238 38.487 0.022 0.000 0.983 582 N HN 0.300 nan 8.380 nan 0.000 0.429 583 Y N 1.385 121.742 120.300 0.095 0.000 2.153 583 Y HA -0.107 4.443 4.550 -0.001 0.000 0.289 583 Y C 2.369 178.390 175.900 0.201 0.000 1.119 583 Y CA 0.705 58.921 58.100 0.193 0.000 1.116 583 Y CB -0.503 38.187 38.460 0.383 0.000 1.004 583 Y HN -0.083 nan 8.280 nan 0.000 0.501 584 L N 0.692 122.199 121.223 0.472 0.000 2.030 584 L HA -0.350 3.990 4.340 -0.001 0.000 0.222 584 L C 2.034 179.112 176.870 0.346 0.000 1.082 584 L CA 2.523 57.632 54.840 0.447 0.000 0.785 584 L CB -0.817 41.351 42.059 0.182 0.000 0.895 584 L HN 0.416 nan 8.230 nan 0.000 0.439 585 M N -1.040 118.495 119.600 -0.108 0.000 2.160 585 M HA -0.084 4.396 4.480 -0.001 0.000 0.264 585 M C 1.183 177.201 176.300 -0.470 0.000 1.073 585 M CA 1.195 56.044 55.300 -0.751 0.000 1.142 585 M CB -0.527 31.661 32.600 -0.686 0.000 1.358 585 M HN 0.257 nan 8.290 nan 0.000 0.422 586 N N 1.242 119.786 118.700 -0.261 0.000 2.471 586 N HA 0.028 4.767 4.740 -0.001 0.000 0.205 586 N C -0.078 175.310 175.510 -0.203 0.000 1.251 586 N CA 0.165 53.084 53.050 -0.219 0.000 0.843 586 N CB 0.002 38.370 38.487 -0.198 0.000 1.044 586 N HN 0.118 nan 8.380 nan 0.000 0.461 587 S N 0.339 115.969 115.700 -0.116 0.000 2.565 587 S HA 0.393 4.862 4.470 -0.001 0.000 0.290 587 S C -1.592 172.953 174.600 -0.090 0.000 1.150 587 S CA -1.628 56.527 58.200 -0.075 0.000 1.058 587 S CB 1.512 64.815 63.200 0.172 0.000 1.032 587 S HN -0.108 nan 8.310 nan 0.000 0.510 588 P HA -0.058 nan 4.420 nan 0.000 0.221 588 P C 0.464 177.553 177.300 -0.352 0.000 1.145 588 P CA 1.120 64.041 63.100 -0.298 0.000 0.795 588 P CB 0.025 31.476 31.700 -0.415 0.000 0.775 589 H N -3.780 115.192 119.070 -0.162 0.000 2.539 589 H HA 0.082 4.638 4.556 -0.001 0.000 0.269 589 H C 0.246 175.212 175.328 -0.602 0.000 0.980 589 H CA -0.504 55.294 56.048 -0.417 0.000 1.152 589 H CB -0.751 28.636 29.762 -0.625 0.000 1.407 589 H HN 0.164 nan 8.280 nan 0.000 0.564 590 Y N 2.808 122.919 120.300 -0.315 0.000 2.887 590 Y HA -0.143 4.407 4.550 -0.001 0.000 0.350 590 Y C 1.110 177.019 175.900 0.015 0.000 1.294 590 Y CA 0.099 58.168 58.100 -0.053 0.000 1.622 590 Y CB -0.396 38.080 38.460 0.027 0.000 1.201 590 Y HN 0.240 nan 8.280 nan 0.000 0.546 591 L N 2.724 123.743 121.223 -0.339 0.000 4.625 591 L HA -0.333 4.006 4.340 -0.001 0.000 0.428 591 L C 0.708 177.529 176.870 -0.081 0.000 1.129 591 L CA 0.927 55.605 54.840 -0.271 0.000 0.978 591 L CB -1.360 40.434 42.059 -0.443 0.000 2.043 591 L HN 0.673 nan 8.230 nan 0.000 0.847 592 E N 0.747 120.918 120.200 -0.048 0.000 2.390 592 E HA 0.369 4.719 4.350 -0.001 0.000 0.261 592 E C 0.005 176.639 176.600 0.057 0.000 1.076 592 E CA -0.254 56.143 56.400 -0.004 0.000 0.905 592 E CB 0.815 30.516 29.700 0.001 0.000 0.984 592 E HN 0.177 nan 8.360 nan 0.000 0.427 593 M N 4.964 124.593 119.600 0.048 0.000 2.356 593 M HA 0.324 4.804 4.480 -0.001 0.000 0.215 593 M C -2.790 173.542 176.300 0.053 0.000 0.978 593 M CA -1.645 53.703 55.300 0.080 0.000 0.972 593 M CB 1.593 34.234 32.600 0.068 0.000 2.529 593 M HN 0.162 nan 8.290 nan 0.000 0.447 594 P HA 0.520 nan 4.420 nan 0.000 0.272 594 P C -0.485 176.922 177.300 0.177 0.000 1.230 594 P CA -0.046 63.106 63.100 0.085 0.000 0.788 594 P CB 1.026 32.776 31.700 0.082 0.000 0.949 595 A N 1.154 124.071 122.820 0.162 0.000 2.141 595 A HA 0.186 4.505 4.320 -0.001 0.000 0.201 595 A C 0.523 178.408 177.584 0.502 0.000 1.344 595 A CA 0.570 52.842 52.037 0.392 0.000 0.971 595 A CB 0.072 19.082 19.000 0.016 0.000 1.035 595 A HN 0.460 nan 8.150 nan 0.000 0.480 596 K N 0.704 121.132 120.400 0.047 0.000 2.581 596 K HA 0.570 4.890 4.320 -0.001 0.000 0.249 596 K C -1.063 175.455 176.600 -0.136 0.000 0.966 596 K CA -0.445 55.701 56.287 -0.234 0.000 0.811 596 K CB 1.059 33.141 32.500 -0.697 0.000 1.223 596 K HN 0.312 nan 8.250 nan 0.000 0.438 597 M N 2.051 121.599 119.600 -0.087 0.000 2.163 597 M HA 0.439 4.918 4.480 -0.001 0.000 0.305 597 M C 0.768 177.015 176.300 -0.088 0.000 1.166 597 M CA 0.716 55.984 55.300 -0.053 0.000 1.132 597 M CB 0.873 33.469 32.600 -0.005 0.000 1.413 597 M HN 0.958 nan 8.290 nan 0.000 0.478 606 E N 0.872 121.082 120.200 0.018 0.000 2.265 606 E HA -0.048 4.302 4.350 -0.001 0.000 0.196 606 E C 0.872 177.485 176.600 0.022 0.000 0.996 606 E CA 1.397 57.821 56.400 0.039 0.000 0.832 606 E CB -0.075 29.684 29.700 0.097 0.000 0.756 606 E HN 0.340 nan 8.360 nan 0.000 0.491 607 D N 1.191 121.586 120.400 -0.008 0.000 2.347 607 D HA -0.062 4.578 4.640 -0.001 0.000 0.213 607 D C 0.205 176.486 176.300 -0.032 0.000 0.985 607 D CA 0.258 54.258 54.000 0.001 0.000 0.879 607 D CB -0.382 40.410 40.800 -0.012 0.000 0.919 607 D HN 0.133 nan 8.370 nan 0.000 0.526 608 N N 0.667 119.339 118.700 -0.046 0.000 2.374 608 N HA 0.069 4.808 4.740 -0.001 0.000 0.269 608 N C 0.991 176.442 175.510 -0.098 0.000 1.310 608 N CA 1.190 54.196 53.050 -0.072 0.000 0.877 608 N CB 0.174 38.621 38.487 -0.067 0.000 1.096 608 N HN 0.152 nan 8.380 nan 0.000 0.484 609 G N 2.827 111.540 108.800 -0.146 0.000 2.176 609 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.252 609 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.252 609 G C 0.680 175.445 174.900 -0.225 0.000 1.024 609 G CA 0.514 45.487 45.100 -0.211 0.000 0.755 609 G HN 0.562 nan 8.290 nan 0.000 0.507 610 L N -2.873 118.236 121.223 -0.191 0.000 2.354 610 L HA 0.342 4.681 4.340 -0.001 0.000 0.212 610 L C 1.207 178.026 176.870 -0.084 0.000 1.091 610 L CA 0.505 55.231 54.840 -0.190 0.000 0.828 610 L CB -0.033 41.873 42.059 -0.254 0.000 0.973 610 L HN 0.422 nan 8.230 nan 0.000 0.461 611 W N -0.200 121.029 121.300 -0.118 0.000 3.078 611 W HA 0.163 4.823 4.660 -0.001 0.000 0.465 611 W C 0.301 176.754 176.519 -0.110 0.000 1.852 611 W CA 0.293 57.587 57.345 -0.084 0.000 0.459 611 W CB -1.201 28.162 29.460 -0.162 0.000 2.859 611 W HN 0.309 nan 8.180 nan 0.000 0.416 612 G N 0.132 109.077 108.800 0.241 0.000 2.326 612 G HA2 0.274 4.234 3.960 -0.001 0.000 0.413 612 G HA3 0.274 4.234 3.960 -0.001 0.000 0.413 612 G C 0.145 175.058 174.900 0.022 0.000 1.444 612 G CA -0.307 44.735 45.100 -0.097 0.000 1.002 612 G HN 1.376 nan 8.290 nan 0.000 0.649 613 C N -0.894 118.246 119.300 -0.267 0.000 2.507 613 C HA 0.731 5.191 4.460 -0.001 0.000 0.280 613 C C 0.803 175.621 174.990 -0.287 0.000 1.345 613 C CA 0.886 59.773 59.018 -0.218 0.000 1.736 613 C CB -1.821 25.700 27.740 -0.365 0.000 2.060 613 C HN 1.517 nan 8.230 nan 0.000 0.498 614 F N 0.273 120.178 119.950 -0.074 0.000 2.773 614 F HA 0.683 5.210 4.527 -0.001 0.000 0.314 614 F C -0.528 175.131 175.800 -0.235 0.000 1.160 614 F CA -0.569 57.331 58.000 -0.165 0.000 0.920 614 F CB 0.472 39.323 39.000 -0.249 0.000 1.323 614 F HN 0.151 nan 8.300 nan 0.000 0.457 615 T N -3.242 111.320 114.554 0.014 0.000 2.681 615 T HA 0.289 4.638 4.350 -0.001 0.000 0.296 615 T C 0.178 174.812 174.700 -0.111 0.000 1.157 615 T CA -0.346 61.669 62.100 -0.143 0.000 1.025 615 T CB 1.259 69.898 68.868 -0.381 0.000 1.441 615 T HN 1.215 nan 8.240 nan 0.000 0.504 616 W N 0.033 121.349 121.300 0.026 0.000 2.392 616 W HA 0.171 4.831 4.660 -0.001 0.000 0.279 616 W C 1.235 177.774 176.519 0.034 0.000 1.225 616 W CA 1.091 58.444 57.345 0.013 0.000 1.233 616 W CB -1.279 28.189 29.460 0.014 0.000 1.122 616 W HN 0.832 nan 8.180 nan 0.000 0.561 617 G N 0.444 108.966 108.800 -0.462 0.000 2.784 617 G HA2 0.057 4.017 3.960 -0.001 0.000 0.208 617 G HA3 0.057 4.017 3.960 -0.001 0.000 0.208 617 G C 0.170 174.957 174.900 -0.189 0.000 1.120 617 G CA 0.171 45.060 45.100 -0.351 0.000 0.774 617 G HN 0.083 nan 8.290 nan 0.000 0.528 618 T N 1.604 116.027 114.554 -0.218 0.000 3.262 618 T HA 0.329 4.678 4.350 -0.001 0.000 0.374 618 T C 1.577 176.205 174.700 -0.121 0.000 1.504 618 T CA 0.196 62.240 62.100 -0.095 0.000 1.158 618 T CB 0.962 69.790 68.868 -0.066 0.000 1.157 618 T HN 0.238 nan 8.240 nan 0.000 0.644 619 T N -0.733 113.724 114.554 -0.162 0.000 3.014 619 T HA -0.047 4.302 4.350 -0.001 0.000 0.263 619 T C 1.186 175.664 174.700 -0.370 0.000 1.078 619 T CA -0.099 61.767 62.100 -0.390 0.000 1.135 619 T CB -0.093 68.533 68.868 -0.404 0.000 0.895 619 T HN 0.567 nan 8.240 nan 0.000 0.480 620 Q N 1.971 121.701 119.800 -0.118 0.000 2.369 620 Q HA 0.319 4.659 4.340 -0.001 0.000 0.295 620 Q C 1.238 177.242 176.000 0.006 0.000 1.075 620 Q CA 1.097 56.941 55.803 0.067 0.000 0.941 620 Q CB 0.309 28.951 28.738 -0.160 0.000 1.260 620 Q HN 0.603 nan 8.270 nan 0.000 0.417 621 G N 2.144 111.011 108.800 0.111 0.000 2.475 621 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.209 621 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.209 621 G C 0.827 175.621 174.900 -0.178 0.000 1.127 621 G CA 0.152 45.315 45.100 0.105 0.000 0.681 621 G HN 0.519 nan 8.290 nan 0.000 0.517 622 L N 1.354 122.161 121.223 -0.694 0.000 1.994 622 L HA 0.084 4.424 4.340 -0.001 0.000 0.208 622 L C 3.201 179.754 176.870 -0.528 0.000 1.071 622 L CA 2.143 56.213 54.840 -1.283 0.000 0.745 622 L CB -0.946 39.746 42.059 -2.278 0.000 0.892 622 L HN 0.462 nan 8.230 nan 0.000 0.431 623 G N -0.855 107.779 108.800 -0.277 0.000 2.459 623 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 623 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 623 G C 1.541 176.486 174.900 0.076 0.000 1.183 623 G CA 1.353 46.503 45.100 0.082 0.000 0.776 623 G HN 0.279 nan 8.290 nan 0.000 0.552 624 T N 1.411 116.047 114.554 0.136 0.000 2.685 624 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 624 T C 2.333 177.104 174.700 0.118 0.000 1.034 624 T CA 1.235 63.443 62.100 0.180 0.000 1.149 624 T CB -0.217 68.780 68.868 0.214 0.000 0.860 624 T HN 0.263 nan 8.240 nan 0.000 0.449 625 I N 0.810 121.443 120.570 0.105 0.000 2.208 625 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 625 I C 2.659 178.854 176.117 0.130 0.000 1.097 625 I CA 1.218 62.561 61.300 0.072 0.000 1.363 625 I CB -0.662 37.407 38.000 0.117 0.000 1.051 625 I HN 0.262 nan 8.210 nan 0.000 0.413 626 T N 1.288 115.996 114.554 0.256 0.000 2.833 626 T HA -0.087 4.263 4.350 -0.001 0.000 0.269 626 T C 1.908 176.713 174.700 0.175 0.000 1.054 626 T CA 1.090 63.346 62.100 0.260 0.000 1.135 626 T CB -0.137 68.942 68.868 0.351 0.000 0.869 626 T HN 0.262 nan 8.240 nan 0.000 0.466 627 L N 0.418 121.730 121.223 0.149 0.000 2.109 627 L HA 0.094 4.434 4.340 -0.001 0.000 0.207 627 L C 2.811 179.734 176.870 0.087 0.000 1.086 627 L CA 0.917 55.837 54.840 0.133 0.000 0.760 627 L CB -0.495 41.632 42.059 0.114 0.000 0.910 627 L HN 0.191 nan 8.230 nan 0.000 0.437 628 A N -0.654 122.205 122.820 0.065 0.000 2.208 628 A HA -0.010 4.310 4.320 -0.001 0.000 0.209 628 A C 1.909 179.568 177.584 0.125 0.000 1.161 628 A CA 0.827 52.871 52.037 0.011 0.000 0.782 628 A CB -0.061 18.941 19.000 0.004 0.000 0.816 628 A HN 0.369 nan 8.150 nan 0.000 0.477 629 L N -1.991 119.331 121.223 0.166 0.000 2.803 629 L HA 0.382 4.722 4.340 -0.001 0.000 0.246 629 L C -0.373 176.588 176.870 0.152 0.000 1.100 629 L CA 0.608 55.583 54.840 0.224 0.000 0.919 629 L CB 1.046 43.229 42.059 0.207 0.000 1.285 629 L HN -0.035 nan 8.230 nan 0.000 0.522 630 V N 0.820 120.805 119.914 0.118 0.000 2.680 630 V HA 0.349 4.469 4.120 -0.001 0.000 0.309 630 V C 0.781 176.913 176.094 0.064 0.000 1.052 630 V CA -0.814 61.538 62.300 0.086 0.000 0.908 630 V CB 1.580 33.452 31.823 0.082 0.000 1.001 630 V HN 0.402 nan 8.190 nan 0.000 0.431 631 E N 3.618 123.842 120.200 0.039 0.000 2.840 631 E HA -0.362 3.988 4.350 -0.001 0.000 0.219 631 E C 0.662 177.275 176.600 0.021 0.000 0.850 631 E CA 2.079 58.489 56.400 0.017 0.000 1.211 631 E CB -0.548 29.144 29.700 -0.013 0.000 1.288 631 E HN 1.133 nan 8.360 nan 0.000 0.485 632 N N 0.818 119.493 118.700 -0.041 0.000 4.212 632 N HA -0.209 4.531 4.740 -0.001 0.000 0.326 632 N C -0.012 175.539 175.510 0.069 0.000 1.735 632 N CA 0.605 53.607 53.050 -0.081 0.000 3.154 632 N CB -0.388 38.164 38.487 0.109 0.000 0.276 632 N HN 0.545 nan 8.380 nan 0.000 0.915 633 G N 1.876 110.746 108.800 0.116 0.000 3.678 633 G HA2 0.378 4.338 3.960 -0.001 0.000 0.287 633 G HA3 0.378 4.338 3.960 -0.001 0.000 0.287 633 G C 0.808 175.869 174.900 0.269 0.000 1.280 633 G CA -0.505 44.704 45.100 0.181 0.000 1.118 633 G HN 0.532 nan 8.290 nan 0.000 0.563 634 L N 0.757 122.172 121.223 0.321 0.000 2.426 634 L HA 0.227 4.566 4.340 -0.001 0.000 0.271 634 L C -1.802 175.160 176.870 0.155 0.000 1.169 634 L CA -1.747 53.234 54.840 0.236 0.000 0.836 634 L CB 0.779 42.986 42.059 0.247 0.000 1.112 634 L HN -0.026 nan 8.230 nan 0.000 0.465 635 P HA -0.145 nan 4.420 nan 0.000 0.259 635 P C 0.238 177.585 177.300 0.078 0.000 1.155 635 P CA 0.344 63.498 63.100 0.090 0.000 0.759 635 P CB 0.633 32.384 31.700 0.086 0.000 0.753 636 A N 3.602 126.455 122.820 0.056 0.000 2.139 636 A HA -0.217 4.102 4.320 -0.001 0.000 0.221 636 A C 2.243 179.839 177.584 0.020 0.000 1.159 636 A CA 2.276 54.333 52.037 0.034 0.000 0.662 636 A CB -1.281 17.734 19.000 0.024 0.000 0.796 636 A HN 0.548 nan 8.150 nan 0.000 0.463 637 T N -0.914 113.659 114.554 0.032 0.000 2.770 637 T HA -0.131 4.219 4.350 -0.001 0.000 0.263 637 T C 1.610 176.323 174.700 0.022 0.000 1.039 637 T CA 1.715 63.830 62.100 0.024 0.000 1.142 637 T CB -0.440 68.448 68.868 0.033 0.000 0.868 637 T HN 0.454 nan 8.240 nan 0.000 0.435 638 D N 0.871 121.302 120.400 0.053 0.000 2.117 638 D HA -0.019 4.621 4.640 -0.001 0.000 0.197 638 D C 2.127 178.407 176.300 -0.032 0.000 0.987 638 D CA 0.918 54.943 54.000 0.042 0.000 0.829 638 D CB -0.399 40.494 40.800 0.154 0.000 0.961 638 D HN 0.473 nan 8.370 nan 0.000 0.460 639 I N 0.838 121.399 120.570 -0.015 0.000 2.248 639 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 639 I C 2.426 178.477 176.117 -0.110 0.000 1.107 639 I CA 0.995 62.262 61.300 -0.056 0.000 1.373 639 I CB -0.093 37.888 38.000 -0.031 0.000 1.055 639 I HN -0.031 nan 8.210 nan 0.000 0.418 640 Q N 0.621 120.373 119.800 -0.081 0.000 2.079 640 Q HA -0.198 4.141 4.340 -0.001 0.000 0.200 640 Q C 2.124 178.074 176.000 -0.083 0.000 0.974 640 Q CA 1.475 57.224 55.803 -0.090 0.000 0.840 640 Q CB -0.278 28.431 28.738 -0.049 0.000 0.898 640 Q HN 0.448 nan 8.270 nan 0.000 0.430 641 K N -0.092 120.270 120.400 -0.063 0.000 2.002 641 K HA -0.113 4.207 4.320 -0.001 0.000 0.209 641 K C 1.973 178.527 176.600 -0.077 0.000 1.048 641 K CA 1.209 57.462 56.287 -0.057 0.000 0.930 641 K CB -0.137 32.336 32.500 -0.046 0.000 0.714 641 K HN 0.129 nan 8.250 nan 0.000 0.438 642 A N 1.851 124.609 122.820 -0.104 0.000 1.915 642 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 642 A C 2.062 179.598 177.584 -0.081 0.000 1.198 642 A CA 1.940 53.920 52.037 -0.095 0.000 0.647 642 A CB -0.636 18.300 19.000 -0.106 0.000 0.825 642 A HN 0.389 nan 8.150 nan 0.000 0.456 643 R N -1.024 119.381 120.500 -0.159 0.000 2.148 643 R HA -0.064 4.275 4.340 -0.001 0.000 0.223 643 R C 1.676 177.949 176.300 -0.045 0.000 1.088 643 R CA 1.302 57.274 56.100 -0.213 0.000 0.985 643 R CB -0.350 29.615 30.300 -0.557 0.000 0.880 643 R HN 0.556 nan 8.270 nan 0.000 0.451 644 N N 0.600 119.271 118.700 -0.048 0.000 2.207 644 N HA -0.069 4.671 4.740 -0.001 0.000 0.182 644 N C 1.328 176.825 175.510 -0.022 0.000 1.020 644 N CA 0.862 53.904 53.050 -0.013 0.000 0.858 644 N CB -0.203 38.273 38.487 -0.018 0.000 0.991 644 N HN 0.136 nan 8.380 nan 0.000 0.427 645 N N 0.808 119.487 118.700 -0.036 0.000 2.149 645 N HA -0.099 4.640 4.740 -0.001 0.000 0.188 645 N C 1.702 177.170 175.510 -0.071 0.000 1.019 645 N CA 0.751 53.771 53.050 -0.051 0.000 0.857 645 N CB -0.229 38.234 38.487 -0.041 0.000 0.997 645 N HN 0.334 nan 8.380 nan 0.000 0.426 646 I N 1.059 121.614 120.570 -0.025 0.000 2.226 646 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 646 I C 2.296 178.335 176.117 -0.130 0.000 1.100 646 I CA 0.992 62.282 61.300 -0.017 0.000 1.374 646 I CB -0.244 37.840 38.000 0.139 0.000 1.057 646 I HN 0.072 nan 8.210 nan 0.000 0.413 647 A N 0.613 123.381 122.820 -0.086 0.000 1.969 647 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 647 A C 2.288 179.772 177.584 -0.167 0.000 1.169 647 A CA 1.260 53.186 52.037 -0.185 0.000 0.635 647 A CB -0.329 18.693 19.000 0.038 0.000 0.810 647 A HN 0.296 nan 8.150 nan 0.000 0.445 648 K N -0.114 120.213 120.400 -0.121 0.000 1.985 648 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 648 K C 2.372 178.805 176.600 -0.280 0.000 1.047 648 K CA 1.210 57.420 56.287 -0.127 0.000 0.932 648 K CB -0.463 31.978 32.500 -0.099 0.000 0.716 648 K HN 0.400 nan 8.250 nan 0.000 0.439 649 A N 1.769 124.347 122.820 -0.403 0.000 1.927 649 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 649 A C 2.411 179.202 177.584 -1.321 0.000 1.185 649 A CA 2.361 53.913 52.037 -0.809 0.000 0.639 649 A CB -0.875 17.682 19.000 -0.739 0.000 0.820 649 A HN 0.416 nan 8.150 nan 0.000 0.451 650 A N -0.646 121.669 122.820 -0.842 0.000 1.930 650 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 650 A C 1.818 179.282 177.584 -0.200 0.000 1.175 650 A CA 1.640 53.376 52.037 -0.502 0.000 0.627 650 A CB -0.498 18.218 19.000 -0.474 0.000 0.815 650 A HN 0.546 nan 8.150 nan 0.000 0.443 651 D N -0.459 119.859 120.400 -0.137 0.000 2.097 651 D HA -0.138 4.502 4.640 -0.001 0.000 0.195 651 D C 2.112 178.389 176.300 -0.038 0.000 0.989 651 D CA 0.866 54.879 54.000 0.022 0.000 0.827 651 D CB -0.223 40.604 40.800 0.046 0.000 0.966 651 D HN 0.154 nan 8.370 nan 0.000 0.456 652 R N 0.633 121.042 120.500 -0.152 0.000 2.094 652 R HA -0.150 4.190 4.340 -0.001 0.000 0.239 652 R C 2.273 178.577 176.300 0.006 0.000 1.137 652 R CA 0.899 56.963 56.100 -0.060 0.000 0.943 652 R CB -1.001 29.270 30.300 -0.049 0.000 0.850 652 R HN 0.405 nan 8.270 nan 0.000 0.433 653 W N 1.008 122.297 121.300 -0.018 0.000 2.342 653 W HA -0.061 4.599 4.660 -0.001 0.000 0.297 653 W C 2.212 178.661 176.519 -0.116 0.000 1.213 653 W CA 0.231 57.498 57.345 -0.130 0.000 1.251 653 W CB -1.171 28.228 29.460 -0.102 0.000 1.136 653 W HN 0.092 nan 8.180 nan 0.000 0.526 654 L N 0.115 121.428 121.223 0.150 0.000 2.127 654 L HA -0.232 4.107 4.340 -0.001 0.000 0.211 654 L C 2.436 179.329 176.870 0.038 0.000 1.089 654 L CA 1.796 56.689 54.840 0.090 0.000 0.757 654 L CB -0.586 41.540 42.059 0.113 0.000 0.899 654 L HN 0.037 nan 8.230 nan 0.000 0.434 655 E N 0.260 120.478 120.200 0.031 0.000 2.028 655 E HA -0.212 4.138 4.350 -0.001 0.000 0.190 655 E C 1.943 178.536 176.600 -0.012 0.000 0.984 655 E CA 1.180 57.593 56.400 0.021 0.000 0.800 655 E CB 0.081 29.797 29.700 0.028 0.000 0.758 655 E HN 0.346 nan 8.360 nan 0.000 0.448 656 N N 0.762 119.410 118.700 -0.087 0.000 2.096 656 N HA -0.227 4.512 4.740 -0.001 0.000 0.195 656 N C 1.957 177.406 175.510 -0.102 0.000 1.017 656 N CA 1.657 54.594 53.050 -0.187 0.000 0.870 656 N CB -0.340 37.900 38.487 -0.411 0.000 1.024 656 N HN 0.355 nan 8.380 nan 0.000 0.434 657 I N 1.260 121.788 120.570 -0.070 0.000 2.226 657 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 657 I C 1.903 178.026 176.117 0.010 0.000 1.100 657 I CA 1.050 62.316 61.300 -0.057 0.000 1.374 657 I CB -0.174 37.781 38.000 -0.074 0.000 1.057 657 I HN 0.015 nan 8.210 nan 0.000 0.413 658 E N 1.082 121.316 120.200 0.056 0.000 2.208 658 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 658 E C 1.726 178.568 176.600 0.404 0.000 0.988 658 E CA 1.002 57.536 56.400 0.224 0.000 0.828 658 E CB -0.182 29.620 29.700 0.170 0.000 0.763 658 E HN 0.690 nan 8.360 nan 0.000 0.478 659 E N 0.157 120.476 120.200 0.199 0.000 2.472 659 E HA 0.052 4.401 4.350 -0.001 0.000 0.196 659 E C 0.460 177.145 176.600 0.142 0.000 1.033 659 E CA -0.042 56.444 56.400 0.144 0.000 0.886 659 E CB 0.247 29.985 29.700 0.063 0.000 0.944 659 E HN -0.026 nan 8.360 nan 0.000 0.492 660 Q N 0.938 120.842 119.800 0.174 0.000 2.243 660 Q HA 0.206 4.546 4.340 -0.001 0.000 0.252 660 Q C 0.923 177.105 176.000 0.303 0.000 0.909 660 Q CA 0.039 55.934 55.803 0.155 0.000 0.922 660 Q CB 1.769 30.535 28.738 0.048 0.000 1.215 660 Q HN 0.270 nan 8.270 nan 0.000 0.427 661 G N 1.645 110.591 108.800 0.243 0.000 2.421 661 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 661 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 661 G C 0.564 175.577 174.900 0.188 0.000 1.171 661 G CA 0.672 45.903 45.100 0.219 0.000 0.775 661 G HN 0.594 nan 8.290 nan 0.000 0.543 662 Y N 0.545 120.969 120.300 0.207 0.000 2.537 662 Y HA 0.321 4.870 4.550 -0.001 0.000 0.303 662 Y C 0.802 176.757 175.900 0.091 0.000 1.176 662 Y CA -0.601 57.609 58.100 0.184 0.000 1.273 662 Y CB -0.039 38.566 38.460 0.242 0.000 1.110 662 Y HN 0.097 nan 8.280 nan 0.000 0.518 663 R N 0.729 121.311 120.500 0.136 0.000 3.251 663 R HA -0.200 4.139 4.340 -0.001 0.000 0.249 663 R C -0.827 175.438 176.300 -0.059 0.000 0.949 663 R CA 0.557 56.646 56.100 -0.018 0.000 0.645 663 R CB -2.504 27.699 30.300 -0.161 0.000 1.065 663 R HN 0.440 nan 8.270 nan 0.000 0.452 664 L N -2.614 118.517 121.223 -0.153 0.000 2.334 664 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 664 L C -1.412 175.276 176.870 -0.303 0.000 1.036 664 L CA -2.258 52.371 54.840 -0.353 0.000 0.807 664 L CB 1.149 42.739 42.059 -0.782 0.000 1.231 664 L HN -0.195 nan 8.230 nan 0.000 0.438 665 P HA 0.006 nan 4.420 nan 0.000 0.242 665 P C 0.105 177.134 177.300 -0.452 0.000 1.197 665 P CA 0.718 63.642 63.100 -0.294 0.000 0.765 665 P CB -0.041 31.507 31.700 -0.253 0.000 0.936 666 I N -3.608 116.647 120.570 -0.526 0.000 2.562 666 I HA 0.548 4.717 4.170 -0.001 0.000 0.301 666 I C -0.205 175.524 176.117 -0.647 0.000 1.003 666 I CA -1.402 59.517 61.300 -0.635 0.000 1.127 666 I CB 2.285 39.951 38.000 -0.556 0.000 1.304 666 I HN -0.373 nan 8.210 nan 0.000 0.446 667 K N 3.234 123.149 120.400 -0.809 0.000 2.295 667 K HA 0.430 4.749 4.320 -0.001 0.000 0.239 667 K C -0.655 175.895 176.600 -0.084 0.000 0.991 667 K CA -0.896 55.145 56.287 -0.410 0.000 0.845 667 K CB 1.778 34.048 32.500 -0.384 0.000 1.197 667 K HN 0.626 nan 8.250 nan 0.000 0.441 668 Q N 0.349 120.202 119.800 0.089 0.000 2.523 668 Q HA 0.012 4.352 4.340 -0.001 0.000 0.283 668 Q C 0.033 176.148 176.000 0.193 0.000 1.140 668 Q CA -0.030 55.867 55.803 0.156 0.000 0.981 668 Q CB 0.290 29.127 28.738 0.164 0.000 1.310 668 Q HN 0.629 nan 8.270 nan 0.000 0.483 669 A N 1.369 124.247 122.820 0.096 0.000 2.366 669 A HA -0.004 4.316 4.320 -0.001 0.000 0.250 669 A C 0.516 178.120 177.584 0.032 0.000 1.099 669 A CA -0.206 51.854 52.037 0.038 0.000 0.794 669 A CB 0.288 19.270 19.000 -0.029 0.000 1.056 669 A HN 0.783 nan 8.150 nan 0.000 0.499 670 E N 0.140 120.315 120.200 -0.041 0.000 2.452 670 E HA -0.049 4.300 4.350 -0.001 0.000 0.197 670 E C 0.267 176.845 176.600 -0.037 0.000 1.022 670 E CA 0.652 57.025 56.400 -0.044 0.000 0.890 670 E CB -0.162 29.468 29.700 -0.116 0.000 0.918 670 E HN 0.846 nan 8.360 nan 0.000 0.496 671 D N 1.756 122.133 120.400 -0.038 0.000 2.387 671 D HA -0.139 4.501 4.640 -0.001 0.000 0.257 671 D C -0.166 176.129 176.300 -0.009 0.000 1.198 671 D CA 0.143 54.127 54.000 -0.027 0.000 0.945 671 D CB -0.408 40.377 40.800 -0.024 0.000 0.907 671 D HN -0.227 nan 8.370 nan 0.000 0.518 672 E N 0.062 120.260 120.200 -0.002 0.000 2.497 672 E HA -0.311 4.039 4.350 -0.001 0.000 0.223 672 E C 0.686 177.294 176.600 0.014 0.000 1.892 672 E CA 0.987 57.391 56.400 0.008 0.000 0.805 672 E CB -0.512 29.190 29.700 0.003 0.000 0.957 672 E HN 0.784 nan 8.360 nan 0.000 0.326 673 R N 0.157 120.670 120.500 0.021 0.000 1.626 673 R HA -0.097 4.242 4.340 -0.001 0.000 0.053 673 R C 1.225 177.542 176.300 0.028 0.000 0.775 673 R CA 1.399 57.516 56.100 0.028 0.000 3.200 673 R CB -1.180 29.138 30.300 0.031 0.000 0.763 673 R HN 0.812 nan 8.270 nan 0.000 0.571 674 G N 0.362 109.178 108.800 0.026 0.000 2.629 674 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.335 674 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.335 674 G C 0.889 175.816 174.900 0.044 0.000 1.347 674 G CA 1.298 46.420 45.100 0.038 0.000 0.979 674 G HN 1.520 nan 8.290 nan 0.000 0.534 675 G N -2.932 105.909 108.800 0.068 0.000 2.752 675 G HA2 0.135 4.095 3.960 -0.001 0.000 0.234 675 G HA3 0.135 4.095 3.960 -0.001 0.000 0.234 675 G C -0.265 174.767 174.900 0.219 0.000 1.367 675 G CA 0.449 45.597 45.100 0.079 0.000 0.879 675 G HN 1.610 nan 8.290 nan 0.000 0.563 676 Y N 1.742 121.968 120.300 -0.124 0.000 2.313 676 Y HA 0.514 5.064 4.550 -0.001 0.000 0.332 676 Y C -0.911 174.903 175.900 -0.144 0.000 1.071 676 Y CA -2.139 55.868 58.100 -0.154 0.000 1.169 676 Y CB 1.135 39.500 38.460 -0.159 0.000 1.192 676 Y HN 0.471 nan 8.280 nan 0.000 0.487 677 P HA -0.033 nan 4.420 nan 0.000 0.279 677 P C -0.066 177.324 177.300 0.150 0.000 1.276 677 P CA -0.580 62.529 63.100 0.014 0.000 0.801 677 P CB 1.078 32.699 31.700 -0.132 0.000 1.127 678 W N 1.111 122.476 121.300 0.108 0.000 2.347 678 W HA 0.153 4.812 4.660 -0.001 0.000 0.333 678 W C 0.745 177.392 176.519 0.213 0.000 1.383 678 W CA 2.224 59.679 57.345 0.183 0.000 1.283 678 W CB -1.093 28.532 29.460 0.276 0.000 1.253 678 W HN 0.807 nan 8.180 nan 0.000 0.563 679 G N 4.150 113.137 108.800 0.311 0.000 2.338 679 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.296 679 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.296 679 G C 1.108 175.938 174.900 -0.116 0.000 1.040 679 G CA 0.769 45.752 45.100 -0.194 0.000 1.004 679 G HN 1.056 nan 8.290 nan 0.000 0.509 680 S N 0.054 115.722 115.700 -0.052 0.000 2.365 680 S HA -0.267 4.203 4.470 -0.001 0.000 0.225 680 S C 2.137 176.693 174.600 -0.075 0.000 1.039 680 S CA 1.652 59.838 58.200 -0.023 0.000 1.033 680 S CB -0.291 62.800 63.200 -0.182 0.000 0.887 680 S HN 0.523 nan 8.310 nan 0.000 0.447 681 N N 2.555 121.085 118.700 -0.283 0.000 2.132 681 N HA -0.140 4.600 4.740 -0.001 0.000 0.191 681 N C 2.052 177.399 175.510 -0.271 0.000 1.015 681 N CA 1.852 54.726 53.050 -0.293 0.000 0.864 681 N CB -0.948 37.270 38.487 -0.449 0.000 1.006 681 N HN 0.817 nan 8.380 nan 0.000 0.430 682 S N -0.389 115.053 115.700 -0.430 0.000 2.419 682 S HA -0.055 4.414 4.470 -0.001 0.000 0.233 682 S C 1.914 176.327 174.600 -0.312 0.000 1.016 682 S CA 0.564 58.529 58.200 -0.391 0.000 0.974 682 S CB -0.665 62.153 63.200 -0.636 0.000 0.786 682 S HN 0.226 nan 8.310 nan 0.000 0.492 683 F N 1.812 121.604 119.950 -0.263 0.000 2.186 683 F HA 0.211 4.737 4.527 -0.001 0.000 0.299 683 F C 2.220 177.792 175.800 -0.379 0.000 1.090 683 F CA 0.682 58.506 58.000 -0.293 0.000 1.307 683 F CB -0.471 38.360 39.000 -0.281 0.000 1.019 683 F HN 0.180 nan 8.300 nan 0.000 0.489 684 I N -0.434 120.039 120.570 -0.162 0.000 2.286 684 I HA -0.291 3.878 4.170 -0.001 0.000 0.248 684 I C 2.242 178.228 176.117 -0.218 0.000 1.115 684 I CA 1.149 62.308 61.300 -0.235 0.000 1.392 684 I CB -0.559 37.347 38.000 -0.156 0.000 1.065 684 I HN 0.141 nan 8.210 nan 0.000 0.418 685 L N 0.466 121.598 121.223 -0.152 0.000 1.994 685 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 685 L C 2.377 179.148 176.870 -0.164 0.000 1.071 685 L CA 1.411 56.199 54.840 -0.087 0.000 0.745 685 L CB -0.758 41.310 42.059 0.014 0.000 0.892 685 L HN 0.323 nan 8.230 nan 0.000 0.431 686 N N -0.263 118.299 118.700 -0.230 0.000 2.223 686 N HA -0.208 4.531 4.740 -0.001 0.000 0.185 686 N C 1.870 177.075 175.510 -0.509 0.000 1.016 686 N CA 1.178 54.039 53.050 -0.316 0.000 0.863 686 N CB -0.104 38.119 38.487 -0.440 0.000 0.983 686 N HN 0.475 nan 8.380 nan 0.000 0.429 687 Q N 0.349 119.780 119.800 -0.616 0.000 2.050 687 Q HA 0.006 4.346 4.340 -0.001 0.000 0.202 687 Q C 2.112 177.883 176.000 -0.382 0.000 0.980 687 Q CA 1.182 56.465 55.803 -0.868 0.000 0.840 687 Q CB -0.048 28.027 28.738 -1.106 0.000 0.898 687 Q HN 0.350 nan 8.270 nan 0.000 0.424 688 M N -0.012 119.418 119.600 -0.283 0.000 2.202 688 M HA -0.200 4.279 4.480 -0.001 0.000 0.262 688 M C 1.934 178.080 176.300 -0.256 0.000 1.063 688 M CA 1.239 56.427 55.300 -0.187 0.000 1.097 688 M CB -0.185 32.337 32.600 -0.130 0.000 1.382 688 M HN 0.251 nan 8.290 nan 0.000 0.413 689 I N -0.907 119.454 120.570 -0.349 0.000 2.113 689 I HA -0.269 3.900 4.170 -0.001 0.000 0.238 689 I C 2.306 178.228 176.117 -0.325 0.000 1.070 689 I CA 1.189 62.080 61.300 -0.682 0.000 1.332 689 I CB -0.526 36.990 38.000 -0.806 0.000 1.044 689 I HN 0.022 nan 8.210 nan 0.000 0.402 690 V N 0.901 120.810 119.914 -0.008 0.000 2.380 690 V HA -0.345 3.774 4.120 -0.001 0.000 0.251 690 V C 2.489 178.669 176.094 0.142 0.000 1.063 690 V CA 1.980 64.423 62.300 0.239 0.000 1.055 690 V CB -0.534 31.523 31.823 0.390 0.000 0.657 690 V HN 0.386 nan 8.190 nan 0.000 0.455 691 M N -0.194 119.449 119.600 0.072 0.000 2.067 691 M HA -0.107 4.373 4.480 -0.001 0.000 0.260 691 M C 2.399 178.656 176.300 -0.072 0.000 1.069 691 M CA 2.235 57.525 55.300 -0.017 0.000 1.117 691 M CB -1.153 31.451 32.600 0.005 0.000 1.334 691 M HN 0.473 nan 8.290 nan 0.000 0.407 692 G N -0.488 108.173 108.800 -0.232 0.000 2.505 692 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.220 692 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.220 692 G C 1.173 176.048 174.900 -0.041 0.000 1.145 692 G CA 1.102 45.938 45.100 -0.439 0.000 0.761 692 G HN 0.357 nan 8.290 nan 0.000 0.571 693 Y N 1.156 121.470 120.300 0.023 0.000 2.242 693 Y HA 0.112 4.661 4.550 -0.001 0.000 0.291 693 Y C 3.104 178.836 175.900 -0.281 0.000 1.137 693 Y CA 0.523 58.535 58.100 -0.147 0.000 1.181 693 Y CB -0.508 37.891 38.460 -0.101 0.000 0.989 693 Y HN 0.271 nan 8.280 nan 0.000 0.527 694 A N -0.759 122.088 122.820 0.046 0.000 1.908 694 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 694 A C 2.027 179.800 177.584 0.315 0.000 1.181 694 A CA 1.789 53.826 52.037 0.000 0.000 0.627 694 A CB -1.404 17.180 19.000 -0.694 0.000 0.818 694 A HN 0.585 nan 8.150 nan 0.000 0.445 695 Y N 0.642 121.081 120.300 0.232 0.000 2.574 695 Y HA -0.091 4.458 4.550 -0.001 0.000 0.294 695 Y C 1.437 177.434 175.900 0.162 0.000 1.142 695 Y CA 1.446 59.709 58.100 0.273 0.000 1.314 695 Y CB -0.203 38.394 38.460 0.228 0.000 0.991 695 Y HN 0.391 nan 8.280 nan 0.000 0.555 696 D N -0.997 119.444 120.400 0.068 0.000 2.183 696 D HA -0.046 4.594 4.640 -0.001 0.000 0.205 696 D C 1.351 177.658 176.300 0.012 0.000 0.962 696 D CA 1.288 55.234 54.000 -0.090 0.000 0.849 696 D CB -0.235 40.424 40.800 -0.234 0.000 0.978 696 D HN 0.429 nan 8.370 nan 0.000 0.488 697 F N -0.500 119.539 119.950 0.149 0.000 2.765 697 F HA 0.118 4.644 4.527 -0.001 0.000 0.302 697 F C 1.762 177.619 175.800 0.094 0.000 1.111 697 F CA 0.459 58.527 58.000 0.113 0.000 1.359 697 F CB 0.508 39.585 39.000 0.127 0.000 1.097 697 F HN 0.030 nan 8.300 nan 0.000 0.577 698 T N -5.696 109.008 114.554 0.250 0.000 3.254 698 T HA 0.346 4.695 4.350 -0.001 0.000 0.267 698 T C 1.629 176.346 174.700 0.029 0.000 0.946 698 T CA 0.648 62.852 62.100 0.174 0.000 0.991 698 T CB 0.620 69.661 68.868 0.288 0.000 1.205 698 T HN 0.149 nan 8.240 nan 0.000 0.494 699 G N 1.621 110.366 108.800 -0.092 0.000 2.176 699 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.253 699 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.253 699 G C -0.244 174.597 174.900 -0.098 0.000 0.979 699 G CA 0.169 45.094 45.100 -0.290 0.000 0.641 699 G HN 0.705 nan 8.290 nan 0.000 0.530 700 D N 1.510 121.913 120.400 0.006 0.000 2.359 700 D HA 0.401 5.040 4.640 -0.001 0.000 0.250 700 D C 1.901 178.245 176.300 0.074 0.000 1.264 700 D CA 0.536 54.504 54.000 -0.053 0.000 0.911 700 D CB 0.603 41.223 40.800 -0.300 0.000 1.056 700 D HN 0.351 nan 8.370 nan 0.000 0.499 701 S N 3.061 118.851 115.700 0.150 0.000 2.571 701 S HA -0.234 4.236 4.470 -0.001 0.000 0.245 701 S C 1.529 176.043 174.600 -0.142 0.000 0.976 701 S CA 0.649 58.892 58.200 0.070 0.000 0.954 701 S CB -0.283 62.943 63.200 0.043 0.000 0.756 701 S HN 0.663 nan 8.310 nan 0.000 0.535 702 K N 0.693 120.985 120.400 -0.180 0.000 2.116 702 K HA -0.061 4.259 4.320 -0.001 0.000 0.203 702 K C 1.553 178.085 176.600 -0.113 0.000 1.052 702 K CA 1.008 57.177 56.287 -0.197 0.000 0.952 702 K CB -0.687 31.663 32.500 -0.249 0.000 0.729 702 K HN 0.507 nan 8.250 nan 0.000 0.446 703 Y N 0.784 121.066 120.300 -0.031 0.000 2.293 703 Y HA -0.143 4.407 4.550 -0.001 0.000 0.291 703 Y C 2.309 178.089 175.900 -0.200 0.000 1.137 703 Y CA -0.019 58.059 58.100 -0.036 0.000 1.202 703 Y CB 0.043 38.556 38.460 0.088 0.000 0.990 703 Y HN 0.057 nan 8.280 nan 0.000 0.537 704 L N 0.240 121.300 121.223 -0.273 0.000 2.095 704 L HA -0.149 4.190 4.340 -0.001 0.000 0.204 704 L C 1.703 178.029 176.870 -0.908 0.000 1.080 704 L CA 1.734 56.151 54.840 -0.705 0.000 0.759 704 L CB -0.630 40.743 42.059 -1.143 0.000 0.914 704 L HN 0.060 nan 8.230 nan 0.000 0.439 705 D N -0.387 119.607 120.400 -0.677 0.000 2.178 705 D HA -0.139 4.500 4.640 -0.001 0.000 0.201 705 D C 2.022 178.209 176.300 -0.190 0.000 0.980 705 D CA 1.304 55.017 54.000 -0.477 0.000 0.842 705 D CB -0.173 40.488 40.800 -0.231 0.000 0.948 705 D HN 0.540 nan 8.370 nan 0.000 0.472 706 G N 0.805 109.525 108.800 -0.133 0.000 2.418 706 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 706 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 706 G C 1.701 176.595 174.900 -0.009 0.000 1.158 706 G CA 0.440 45.524 45.100 -0.027 0.000 0.771 706 G HN 0.199 nan 8.290 nan 0.000 0.545 707 M N -0.218 119.351 119.600 -0.050 0.000 2.117 707 M HA 0.053 4.533 4.480 -0.001 0.000 0.262 707 M C 2.446 178.867 176.300 0.203 0.000 1.065 707 M CA 1.242 56.552 55.300 0.017 0.000 1.114 707 M CB -0.538 32.036 32.600 -0.042 0.000 1.361 707 M HN 0.266 nan 8.290 nan 0.000 0.408 708 F N 0.520 120.453 119.950 -0.029 0.000 2.202 708 F HA -0.285 4.241 4.527 -0.001 0.000 0.301 708 F C 2.211 178.028 175.800 0.029 0.000 1.082 708 F CA 0.342 58.349 58.000 0.012 0.000 1.313 708 F CB -0.376 38.639 39.000 0.025 0.000 1.024 708 F HN 0.264 nan 8.300 nan 0.000 0.495 709 D N 0.036 120.549 120.400 0.189 0.000 2.120 709 D HA -0.065 4.574 4.640 -0.001 0.000 0.202 709 D C 2.384 178.747 176.300 0.105 0.000 0.972 709 D CA 1.211 55.272 54.000 0.102 0.000 0.837 709 D CB -0.670 40.135 40.800 0.008 0.000 0.989 709 D HN 0.257 nan 8.370 nan 0.000 0.469 710 G N 1.618 110.460 108.800 0.070 0.000 2.545 710 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 710 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 710 G C 1.671 176.654 174.900 0.140 0.000 1.218 710 G CA 0.615 45.750 45.100 0.059 0.000 0.787 710 G HN 0.237 nan 8.290 nan 0.000 0.571 711 I N 0.637 121.280 120.570 0.121 0.000 2.361 711 I HA -0.072 4.097 4.170 -0.001 0.000 0.251 711 I C 2.849 179.044 176.117 0.129 0.000 1.133 711 I CA 1.460 62.840 61.300 0.132 0.000 1.413 711 I CB -0.232 37.820 38.000 0.087 0.000 1.073 711 I HN 0.132 nan 8.210 nan 0.000 0.424 712 S N -0.832 114.942 115.700 0.123 0.000 2.382 712 S HA -0.237 4.233 4.470 -0.001 0.000 0.228 712 S C 1.975 176.644 174.600 0.114 0.000 1.027 712 S CA 1.368 59.614 58.200 0.076 0.000 0.991 712 S CB -0.514 62.757 63.200 0.118 0.000 0.823 712 S HN 0.658 nan 8.310 nan 0.000 0.469 713 Y N 2.117 122.452 120.300 0.059 0.000 2.145 713 Y HA -0.056 4.493 4.550 -0.001 0.000 0.286 713 Y C 1.761 177.706 175.900 0.075 0.000 1.145 713 Y CA 1.488 59.630 58.100 0.070 0.000 1.148 713 Y CB -0.491 37.999 38.460 0.050 0.000 0.981 713 Y HN 0.179 nan 8.280 nan 0.000 0.507 714 L N -0.148 121.066 121.223 -0.015 0.000 2.191 714 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 714 L C 1.670 178.497 176.870 -0.072 0.000 1.103 714 L CA 0.942 55.754 54.840 -0.047 0.000 0.769 714 L CB -0.373 41.724 42.059 0.063 0.000 0.908 714 L HN 0.278 nan 8.230 nan 0.000 0.438 715 L N -0.956 120.231 121.223 -0.060 0.000 2.741 715 L HA 0.256 4.595 4.340 -0.001 0.000 0.237 715 L C 1.212 178.003 176.870 -0.131 0.000 1.178 715 L CA 0.456 55.250 54.840 -0.077 0.000 0.973 715 L CB 0.319 42.367 42.059 -0.017 0.000 1.255 715 L HN 0.376 nan 8.230 nan 0.000 0.498 716 G N -0.266 108.422 108.800 -0.187 0.000 3.006 716 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.195 716 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.195 716 G C 0.603 175.472 174.900 -0.052 0.000 1.034 716 G CA -0.615 44.393 45.100 -0.155 0.000 0.807 716 G HN 0.148 nan 8.290 nan 0.000 0.469 717 R N 1.784 122.300 120.500 0.027 0.000 3.688 717 R HA 0.291 4.630 4.340 -0.001 0.000 0.194 717 R C -0.082 176.375 176.300 0.261 0.000 1.677 717 R CA 0.780 56.994 56.100 0.190 0.000 1.351 717 R CB -1.144 29.295 30.300 0.232 0.000 1.338 717 R HN 0.669 nan 8.270 nan 0.000 0.731 718 N N -0.838 117.882 118.700 0.035 0.000 2.647 718 N HA 0.204 4.943 4.740 -0.001 0.000 0.266 718 N C -0.097 175.061 175.510 -0.586 0.000 1.373 718 N CA -0.530 52.335 53.050 -0.309 0.000 0.807 718 N CB 0.897 39.113 38.487 -0.451 0.000 1.513 718 N HN -0.076 nan 8.380 nan 0.000 0.505 719 A N -0.440 121.811 122.820 -0.948 0.000 2.248 719 A HA 0.021 4.341 4.320 -0.001 0.000 0.210 719 A C 0.906 178.378 177.584 -0.187 0.000 1.174 719 A CA 0.893 52.603 52.037 -0.545 0.000 0.750 719 A CB -0.702 18.047 19.000 -0.419 0.000 0.780 719 A HN 0.623 nan 8.150 nan 0.000 0.478 720 M N -1.808 117.692 119.600 -0.167 0.000 2.337 720 M HA 0.108 4.587 4.480 -0.001 0.000 0.256 720 M C 0.506 176.752 176.300 -0.090 0.000 1.075 720 M CA 0.666 55.920 55.300 -0.077 0.000 1.024 720 M CB -0.435 32.150 32.600 -0.025 0.000 1.429 720 M HN 0.488 nan 8.290 nan 0.000 0.497 721 D N 2.199 122.534 120.400 -0.108 0.000 2.811 721 D HA -0.218 4.422 4.640 -0.001 0.000 0.231 721 D C -0.081 176.124 176.300 -0.160 0.000 1.157 721 D CA 0.837 54.808 54.000 -0.049 0.000 0.716 721 D CB -0.497 40.349 40.800 0.077 0.000 1.077 721 D HN 0.384 nan 8.370 nan 0.000 0.428 722 Q N 0.006 119.599 119.800 -0.345 0.000 2.293 722 Q HA 0.566 4.905 4.340 -0.001 0.000 0.261 722 Q C -0.918 174.637 176.000 -0.741 0.000 0.960 722 Q CA -0.642 54.843 55.803 -0.530 0.000 0.882 722 Q CB 1.761 30.096 28.738 -0.672 0.000 1.275 722 Q HN 0.100 nan 8.270 nan 0.000 0.445 723 S N 4.098 119.504 115.700 -0.490 0.000 2.411 723 S HA 0.244 4.713 4.470 -0.001 0.000 0.294 723 S C -0.369 173.994 174.600 -0.394 0.000 1.115 723 S CA -0.332 57.647 58.200 -0.369 0.000 1.071 723 S CB 0.064 63.164 63.200 -0.167 0.000 0.967 723 S HN 0.745 nan 8.310 nan 0.000 0.488 724 Y N 3.552 123.704 120.300 -0.247 0.000 2.519 724 Y HA 0.207 4.756 4.550 -0.001 0.000 0.311 724 Y C 0.419 176.181 175.900 -0.231 0.000 1.207 724 Y CA -0.323 57.612 58.100 -0.275 0.000 1.289 724 Y CB 0.251 38.475 38.460 -0.394 0.000 1.059 724 Y HN 0.369 nan 8.280 nan 0.000 0.507 725 V N 0.429 120.300 119.914 -0.071 0.000 2.495 725 V HA 0.202 4.322 4.120 -0.001 0.000 0.298 725 V C 0.276 176.397 176.094 0.046 0.000 1.031 725 V CA -1.300 60.949 62.300 -0.085 0.000 0.871 725 V CB 1.665 33.449 31.823 -0.065 0.000 0.988 725 V HN 0.257 nan 8.190 nan 0.000 0.432 726 T N 0.693 115.278 114.554 0.051 0.000 2.926 726 T HA 0.444 4.793 4.350 -0.001 0.000 0.307 726 T C 1.217 176.008 174.700 0.151 0.000 1.059 726 T CA 0.441 62.580 62.100 0.066 0.000 1.122 726 T CB 1.020 69.887 68.868 -0.001 0.000 0.972 726 T HN 2.002 nan 8.240 nan 0.000 0.545 727 G N 0.915 109.747 108.800 0.053 0.000 2.179 727 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.257 727 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.257 727 G C -0.263 174.484 174.900 -0.256 0.000 1.010 727 G CA 0.445 45.505 45.100 -0.067 0.000 0.736 727 G HN 0.922 nan 8.290 nan 0.000 0.513 728 Y N -0.759 119.535 120.300 -0.009 0.000 2.470 728 Y HA 0.561 5.110 4.550 -0.001 0.000 0.341 728 Y C 0.690 176.562 175.900 -0.047 0.000 1.021 728 Y CA 0.155 58.248 58.100 -0.012 0.000 1.025 728 Y CB 2.149 40.620 38.460 0.019 0.000 1.266 728 Y HN 1.295 nan 8.280 nan 0.000 0.448 729 G N 2.173 111.014 108.800 0.068 0.000 2.661 729 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.685 729 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.685 729 G C -0.130 174.729 174.900 -0.068 0.000 1.298 729 G CA -0.529 44.560 45.100 -0.017 0.000 0.855 729 G HN 0.533 nan 8.290 nan 0.000 0.560 730 E N -0.063 120.053 120.200 -0.140 0.000 2.216 730 E HA 0.067 4.417 4.350 -0.001 0.000 0.192 730 E C 1.846 178.374 176.600 -0.118 0.000 0.988 730 E CA 1.036 57.365 56.400 -0.118 0.000 0.834 730 E CB 0.192 29.819 29.700 -0.121 0.000 0.772 730 E HN 0.461 nan 8.360 nan 0.000 0.479 731 R N 1.258 121.647 120.500 -0.184 0.000 2.587 731 R HA 0.203 4.543 4.340 -0.001 0.000 0.283 731 R C -2.652 173.580 176.300 -0.113 0.000 1.472 731 R CA -1.985 54.043 56.100 -0.119 0.000 1.578 731 R CB 0.644 30.867 30.300 -0.129 0.000 1.130 731 R HN 0.039 nan 8.270 nan 0.000 0.602 732 P HA 0.017 nan 4.420 nan 0.000 0.276 732 P C -0.488 176.799 177.300 -0.022 0.000 1.252 732 P CA -0.564 62.511 63.100 -0.042 0.000 0.802 732 P CB 1.168 32.857 31.700 -0.018 0.000 1.035 733 L N 1.828 123.050 121.223 -0.002 0.000 2.369 733 L HA 0.047 4.387 4.340 -0.001 0.000 0.279 733 L C 1.433 178.337 176.870 0.057 0.000 1.108 733 L CA 0.729 55.602 54.840 0.054 0.000 0.852 733 L CB -0.057 42.050 42.059 0.080 0.000 1.169 733 L HN 0.306 nan 8.230 nan 0.000 0.452 734 Q N 2.566 122.403 119.800 0.061 0.000 2.316 734 Q HA 0.212 4.551 4.340 -0.001 0.000 0.235 734 Q C -0.212 175.820 176.000 0.053 0.000 0.863 734 Q CA 0.305 56.135 55.803 0.045 0.000 0.939 734 Q CB 0.564 29.318 28.738 0.025 0.000 1.108 734 Q HN 0.727 nan 8.270 nan 0.000 0.522 735 N N 2.000 120.736 118.700 0.060 0.000 2.757 735 N HA 0.193 4.933 4.740 -0.001 0.000 0.296 735 N C -2.765 172.797 175.510 0.087 0.000 1.874 735 N CA -1.163 51.911 53.050 0.039 0.000 0.885 735 N CB 1.141 39.597 38.487 -0.052 0.000 1.242 735 N HN 0.062 nan 8.380 nan 0.000 0.488 736 P HA -0.113 nan 4.420 nan 0.000 0.272 736 P C -0.677 176.746 177.300 0.205 0.000 1.230 736 P CA 0.179 63.406 63.100 0.212 0.000 0.788 736 P CB 0.775 32.622 31.700 0.245 0.000 0.949 737 H N 2.076 121.246 119.070 0.167 0.000 3.109 737 H HA 0.265 4.820 4.556 -0.001 0.000 0.266 737 H C -1.102 174.304 175.328 0.129 0.000 1.334 737 H CA 0.306 56.443 56.048 0.148 0.000 1.456 737 H CB -0.643 29.238 29.762 0.199 0.000 1.587 737 H HN 0.394 nan 8.280 nan 0.000 0.500 738 D N 2.950 123.261 120.400 -0.149 0.000 2.756 738 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 738 D C 0.811 176.958 176.300 -0.254 0.000 1.186 738 D CA -0.662 53.251 54.000 -0.144 0.000 0.845 738 D CB 1.606 42.420 40.800 0.024 0.000 1.610 738 D HN 0.375 nan 8.370 nan 0.000 0.465 739 R N 1.545 121.874 120.500 -0.284 0.000 2.276 739 R HA 0.099 4.438 4.340 -0.001 0.000 0.203 739 R C 0.934 177.084 176.300 -0.249 0.000 1.017 739 R CA 0.617 56.538 56.100 -0.297 0.000 1.010 739 R CB 0.099 30.206 30.300 -0.321 0.000 0.900 739 R HN 0.424 nan 8.270 nan 0.000 0.469 740 F N -0.846 118.857 119.950 -0.410 0.000 2.479 740 F HA 0.121 4.647 4.527 -0.001 0.000 0.280 740 F C -0.122 175.635 175.800 -0.073 0.000 0.982 740 F CA -0.104 57.693 58.000 -0.338 0.000 1.276 740 F CB -0.041 38.660 39.000 -0.498 0.000 1.137 740 F HN -0.090 nan 8.300 nan 0.000 0.660 741 W N 2.618 123.920 121.300 0.005 0.000 1.438 741 W HA 0.321 4.980 4.660 -0.001 0.000 0.455 741 W C 0.333 176.856 176.519 0.008 0.000 0.656 741 W CA -0.252 57.056 57.345 -0.063 0.000 2.049 741 W CB -1.337 28.053 29.460 -0.117 0.000 1.683 741 W HN -0.048 nan 8.180 nan 0.000 0.228 742 T N 0.847 115.528 114.554 0.211 0.000 3.317 742 T HA 0.276 4.625 4.350 -0.001 0.000 0.361 742 T C -1.562 173.258 174.700 0.200 0.000 1.499 742 T CA -1.622 60.545 62.100 0.111 0.000 1.529 742 T CB 0.773 69.606 68.868 -0.058 0.000 0.997 742 T HN -0.219 nan 8.240 nan 0.000 0.624 743 P HA -0.103 nan 4.420 nan 0.000 0.217 743 P C 1.442 178.819 177.300 0.128 0.000 1.148 743 P CA 1.133 64.339 63.100 0.178 0.000 0.828 743 P CB 0.198 31.963 31.700 0.108 0.000 0.783 744 Q N -1.643 118.190 119.800 0.055 0.000 2.291 744 Q HA -0.078 4.261 4.340 -0.001 0.000 0.205 744 Q C 1.790 177.819 176.000 0.050 0.000 0.970 744 Q CA 1.328 57.131 55.803 0.000 0.000 0.876 744 Q CB -0.501 28.142 28.738 -0.158 0.000 0.935 744 Q HN 0.284 nan 8.270 nan 0.000 0.455 745 T N -0.333 114.281 114.554 0.100 0.000 2.809 745 T HA -0.027 4.322 4.350 -0.001 0.000 0.260 745 T C 0.704 175.545 174.700 0.235 0.000 1.039 745 T CA 0.976 63.159 62.100 0.138 0.000 1.141 745 T CB 0.182 69.094 68.868 0.074 0.000 0.869 745 T HN 0.128 nan 8.240 nan 0.000 0.437 746 S N -0.651 115.260 115.700 0.352 0.000 2.570 746 S HA 0.281 4.751 4.470 -0.001 0.000 0.286 746 S C -0.134 174.542 174.600 0.127 0.000 1.143 746 S CA -0.782 57.555 58.200 0.228 0.000 0.921 746 S CB 1.350 64.683 63.200 0.223 0.000 1.108 746 S HN 0.093 nan 8.310 nan 0.000 0.456 747 K N 2.106 122.522 120.400 0.026 0.000 2.520 747 K HA -0.068 4.251 4.320 -0.001 0.000 0.197 747 K C 2.005 178.544 176.600 -0.102 0.000 1.043 747 K CA 0.414 56.697 56.287 -0.007 0.000 0.944 747 K CB -0.087 32.404 32.500 -0.015 0.000 0.770 747 K HN 0.543 nan 8.250 nan 0.000 0.480 748 R N 0.289 120.613 120.500 -0.295 0.000 2.115 748 R HA -0.064 4.275 4.340 -0.001 0.000 0.230 748 R C -0.105 175.883 176.300 -0.519 0.000 1.111 748 R CA 0.784 56.576 56.100 -0.513 0.000 0.976 748 R CB 0.076 29.869 30.300 -0.845 0.000 0.870 748 R HN -0.047 nan 8.270 nan 0.000 0.445 749 F N 2.095 122.127 119.950 0.137 0.000 2.399 749 F HA 0.418 4.945 4.527 -0.001 0.000 0.334 749 F C -1.750 174.137 175.800 0.145 0.000 1.097 749 F CA -2.974 55.153 58.000 0.211 0.000 1.076 749 F CB 0.832 39.982 39.000 0.248 0.000 1.162 749 F HN -0.015 nan 8.300 nan 0.000 0.495 750 P HA 0.234 nan 4.420 nan 0.000 0.278 750 P C -0.838 176.575 177.300 0.189 0.000 1.238 750 P CA -0.317 62.869 63.100 0.143 0.000 0.794 750 P CB 1.239 32.949 31.700 0.017 0.000 0.955 751 A N 5.079 127.969 122.820 0.117 0.000 2.466 751 A HA 0.337 4.656 4.320 -0.001 0.000 0.238 751 A C -1.821 175.837 177.584 0.123 0.000 1.074 751 A CA -0.952 51.153 52.037 0.114 0.000 0.774 751 A CB -1.301 17.741 19.000 0.069 0.000 1.015 751 A HN 0.482 nan 8.150 nan 0.000 0.498 752 P HA 0.290 nan 4.420 nan 0.000 0.274 752 P C -2.700 174.188 177.300 -0.688 0.000 1.246 752 P CA -1.322 61.404 63.100 -0.624 0.000 0.795 752 P CB -0.340 31.147 31.700 -0.354 0.000 1.006 753 P HA 0.218 nan 4.420 nan 0.000 0.273 753 P C -2.171 174.806 177.300 -0.537 0.000 1.250 753 P CA -1.266 61.036 63.100 -1.331 0.000 0.793 753 P CB -1.082 29.580 31.700 -1.731 0.000 1.011 754 P HA 0.138 nan 4.420 nan 0.000 0.278 754 P C 0.281 177.665 177.300 0.139 0.000 1.258 754 P CA -0.004 63.106 63.100 0.016 0.000 0.811 754 P CB 0.538 32.282 31.700 0.074 0.000 1.063 755 G N 0.623 109.609 108.800 0.309 0.000 2.137 755 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.237 755 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.237 755 G C -0.120 174.937 174.900 0.261 0.000 1.002 755 G CA -0.150 45.149 45.100 0.332 0.000 0.702 755 G HN 0.493 nan 8.290 nan 0.000 0.515 756 I N 0.512 121.117 120.570 0.060 0.000 2.378 756 I HA 0.584 4.753 4.170 -0.001 0.000 0.291 756 I C 0.410 176.408 176.117 -0.198 0.000 0.992 756 I CA -1.042 60.207 61.300 -0.084 0.000 1.154 756 I CB 1.830 39.823 38.000 -0.011 0.000 1.315 756 I HN 0.121 nan 8.210 nan 0.000 0.448 757 I N 4.248 124.596 120.570 -0.370 0.000 2.498 757 I HA 0.322 4.491 4.170 -0.001 0.000 0.301 757 I C 0.436 176.493 176.117 -0.100 0.000 0.984 757 I CA -0.038 61.032 61.300 -0.384 0.000 1.204 757 I CB 1.852 39.394 38.000 -0.763 0.000 1.362 757 I HN 0.627 nan 8.210 nan 0.000 0.471 758 S N 3.730 119.399 115.700 -0.051 0.000 2.601 758 S HA 0.330 4.799 4.470 -0.001 0.000 0.271 758 S C 1.166 175.663 174.600 -0.171 0.000 1.305 758 S CA 0.058 58.288 58.200 0.049 0.000 1.022 758 S CB 1.435 64.721 63.200 0.142 0.000 0.940 758 S HN 0.864 nan 8.310 nan 0.000 0.525 759 G N 1.974 110.690 108.800 -0.140 0.000 2.448 759 G HA2 0.361 4.320 3.960 -0.001 0.000 0.219 759 G HA3 0.361 4.320 3.960 -0.001 0.000 0.219 759 G C 1.007 175.565 174.900 -0.570 0.000 1.127 759 G CA 0.511 45.187 45.100 -0.706 0.000 0.766 759 G HN 1.634 nan 8.290 nan 0.000 0.552 760 G N -0.528 107.973 108.800 -0.498 0.000 2.681 760 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.220 760 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.220 760 G C -2.686 172.003 174.900 -0.352 0.000 1.353 760 G CA -0.466 44.152 45.100 -0.802 0.000 0.872 760 G HN 0.332 nan 8.290 nan 0.000 0.557 761 P HA 0.164 nan 4.420 nan 0.000 0.263 761 P C -0.150 177.116 177.300 -0.057 0.000 1.175 761 P CA 0.875 63.937 63.100 -0.064 0.000 0.761 761 P CB 0.261 31.964 31.700 0.004 0.000 0.794 762 N N 1.025 119.651 118.700 -0.124 0.000 2.629 762 N HA 0.123 4.863 4.740 -0.001 0.000 0.277 762 N C -0.003 175.331 175.510 -0.293 0.000 1.188 762 N CA -0.284 52.671 53.050 -0.159 0.000 0.835 762 N CB 0.644 38.984 38.487 -0.244 0.000 1.420 762 N HN 0.192 nan 8.380 nan 0.000 0.542 763 S N 2.317 117.847 115.700 -0.282 0.000 2.803 763 S HA 0.135 4.605 4.470 -0.001 0.000 0.228 763 S C 0.914 175.208 174.600 -0.511 0.000 0.953 763 S CA -0.135 57.767 58.200 -0.496 0.000 0.983 763 S CB -0.054 62.957 63.200 -0.315 0.000 0.784 763 S HN 0.507 nan 8.310 nan 0.000 0.498 764 R N 0.226 120.530 120.500 -0.325 0.000 2.427 764 R HA 0.430 4.770 4.340 -0.001 0.000 0.262 764 R C -0.568 175.728 176.300 -0.007 0.000 0.943 764 R CA -1.030 55.011 56.100 -0.099 0.000 1.081 764 R CB -1.225 29.096 30.300 0.035 0.000 1.166 764 R HN 0.364 nan 8.270 nan 0.000 0.534 765 F N 1.036 120.953 119.950 -0.056 0.000 2.729 765 F HA -0.287 4.239 4.527 -0.001 0.000 0.208 765 F C 0.234 175.989 175.800 -0.074 0.000 1.040 765 F CA 0.710 58.656 58.000 -0.089 0.000 0.844 765 F CB -1.532 37.426 39.000 -0.070 0.000 0.704 765 F HN 0.280 nan 8.300 nan 0.000 0.849 766 E N 0.067 120.265 120.200 -0.004 0.000 2.368 766 E HA 0.152 4.501 4.350 -0.001 0.000 0.188 766 E C 0.105 176.707 176.600 0.003 0.000 1.061 766 E CA 0.408 56.846 56.400 0.062 0.000 0.933 766 E CB 0.033 29.819 29.700 0.143 0.000 1.091 766 E HN 0.722 nan 8.360 nan 0.000 0.458 767 D N -2.843 117.428 120.400 -0.216 0.000 2.736 767 D HA 0.133 4.772 4.640 -0.001 0.000 0.223 767 D C -2.501 173.536 176.300 -0.437 0.000 1.231 767 D CA -2.033 51.615 54.000 -0.587 0.000 0.818 767 D CB 1.937 41.847 40.800 -1.483 0.000 1.587 767 D HN -0.355 nan 8.370 nan 0.000 0.463 768 P HA -0.203 nan 4.420 nan 0.000 0.215 768 P C 1.187 178.322 177.300 -0.275 0.000 1.163 768 P CA 1.841 64.782 63.100 -0.265 0.000 0.894 768 P CB 0.060 31.634 31.700 -0.211 0.000 0.791 769 T N -0.232 114.096 114.554 -0.377 0.000 2.607 769 T HA -0.198 4.152 4.350 -0.001 0.000 0.267 769 T C 1.680 176.221 174.700 -0.265 0.000 1.049 769 T CA 1.358 63.255 62.100 -0.338 0.000 1.162 769 T CB -1.017 67.615 68.868 -0.393 0.000 0.863 769 T HN 0.013 nan 8.240 nan 0.000 0.424 770 I N 1.728 122.147 120.570 -0.252 0.000 2.916 770 I HA -0.041 4.128 4.170 -0.001 0.000 0.267 770 I C 1.789 177.917 176.117 0.019 0.000 1.263 770 I CA 0.766 61.987 61.300 -0.131 0.000 1.471 770 I CB -0.559 37.353 38.000 -0.147 0.000 1.089 770 I HN 0.133 nan 8.210 nan 0.000 0.468 771 N N 0.458 119.131 118.700 -0.045 0.000 2.250 771 N HA 0.032 4.772 4.740 -0.001 0.000 0.181 771 N C 1.757 177.186 175.510 -0.134 0.000 1.017 771 N CA 1.321 54.329 53.050 -0.071 0.000 0.866 771 N CB 0.056 38.482 38.487 -0.101 0.000 0.985 771 N HN 0.448 nan 8.380 nan 0.000 0.429 772 A N 0.401 123.141 122.820 -0.133 0.000 2.081 772 A HA 0.300 4.620 4.320 -0.001 0.000 0.214 772 A C 2.102 179.615 177.584 -0.118 0.000 1.158 772 A CA 1.006 52.966 52.037 -0.128 0.000 0.724 772 A CB -0.117 18.805 19.000 -0.131 0.000 0.826 772 A HN 0.265 nan 8.150 nan 0.000 0.463 773 A N -0.382 122.365 122.820 -0.121 0.000 2.072 773 A HA 0.413 4.733 4.320 -0.001 0.000 0.216 773 A C 0.928 178.471 177.584 -0.068 0.000 1.156 773 A CA 1.206 53.177 52.037 -0.110 0.000 0.701 773 A CB -0.538 18.372 19.000 -0.149 0.000 0.816 773 A HN 1.204 nan 8.150 nan 0.000 0.458 774 V N -3.697 116.197 119.914 -0.033 0.000 2.841 774 V HA 0.573 4.692 4.120 -0.001 0.000 0.310 774 V C -0.972 175.113 176.094 -0.014 0.000 1.090 774 V CA -1.687 60.619 62.300 0.009 0.000 0.930 774 V CB 1.526 33.399 31.823 0.084 0.000 1.014 774 V HN 0.041 nan 8.190 nan 0.000 0.425 775 K N 2.046 122.432 120.400 -0.023 0.000 2.494 775 K HA 0.122 4.441 4.320 -0.001 0.000 0.273 775 K C 0.978 177.519 176.600 -0.098 0.000 0.970 775 K CA 0.285 56.531 56.287 -0.068 0.000 0.963 775 K CB 0.447 32.924 32.500 -0.038 0.000 0.913 775 K HN 0.868 nan 8.250 nan 0.000 0.502 776 K N 1.126 121.401 120.400 -0.209 0.000 2.280 776 K HA -0.153 4.167 4.320 -0.001 0.000 0.202 776 K C 0.666 177.255 176.600 -0.019 0.000 1.047 776 K CA 1.667 57.763 56.287 -0.317 0.000 0.942 776 K CB 0.218 32.561 32.500 -0.262 0.000 0.739 776 K HN 0.561 nan 8.250 nan 0.000 0.457 777 D N -1.051 119.368 120.400 0.032 0.000 2.402 777 D HA -0.021 4.619 4.640 -0.001 0.000 0.216 777 D C -0.268 176.079 176.300 0.079 0.000 1.128 777 D CA -0.122 53.918 54.000 0.066 0.000 0.833 777 D CB -0.125 40.685 40.800 0.016 0.000 0.971 777 D HN -0.229 nan 8.370 nan 0.000 0.503 778 T N 3.171 117.803 114.554 0.130 0.000 2.933 778 T HA 0.115 4.464 4.350 -0.001 0.000 0.306 778 T C -2.356 172.343 174.700 -0.001 0.000 1.045 778 T CA -0.354 61.786 62.100 0.068 0.000 1.143 778 T CB 0.733 69.663 68.868 0.103 0.000 1.003 778 T HN 0.114 nan 8.240 nan 0.000 0.540 779 P HA 0.101 nan 4.420 nan 0.000 0.265 779 P C -1.842 175.326 177.300 -0.221 0.000 1.193 779 P CA -1.294 61.736 63.100 -0.117 0.000 0.765 779 P CB 0.125 31.760 31.700 -0.108 0.000 0.823 780 P HA -0.262 nan 4.420 nan 0.000 0.219 780 P C 1.367 178.201 177.300 -0.776 0.000 1.158 780 P CA 1.611 64.398 63.100 -0.522 0.000 0.895 780 P CB -0.156 31.206 31.700 -0.564 0.000 0.792 781 Q N -0.887 118.394 119.800 -0.864 0.000 2.515 781 Q HA -0.082 4.258 4.340 -0.001 0.000 0.212 781 Q C 1.258 177.115 176.000 -0.238 0.000 0.970 781 Q CA 0.920 56.351 55.803 -0.619 0.000 0.941 781 Q CB -0.155 28.358 28.738 -0.375 0.000 0.998 781 Q HN 0.211 nan 8.270 nan 0.000 0.518 782 K N -1.288 118.991 120.400 -0.202 0.000 2.374 782 K HA 0.186 4.506 4.320 -0.001 0.000 0.202 782 K C -0.275 176.305 176.600 -0.033 0.000 1.040 782 K CA -0.309 55.935 56.287 -0.071 0.000 1.085 782 K CB 0.864 33.324 32.500 -0.065 0.000 0.873 782 K HN 0.076 nan 8.250 nan 0.000 0.539 783 C N 2.697 121.929 119.300 -0.113 0.000 3.025 783 C HA 0.298 4.758 4.460 -0.001 0.000 0.547 783 C C -0.353 174.627 174.990 -0.016 0.000 1.058 783 C CA -0.637 58.296 59.018 -0.142 0.000 1.164 783 C CB -2.433 25.091 27.740 -0.359 0.000 1.405 783 C HN 0.251 nan 8.230 nan 0.000 0.610 784 F N 1.880 121.764 119.950 -0.110 0.000 2.654 784 F HA 0.817 5.344 4.527 -0.001 0.000 0.308 784 F C -1.446 174.335 175.800 -0.031 0.000 1.108 784 F CA -1.469 56.491 58.000 -0.066 0.000 0.957 784 F CB 1.042 40.054 39.000 0.019 0.000 1.309 784 F HN 0.146 nan 8.300 nan 0.000 0.446 785 I N 3.878 123.703 120.570 -1.242 0.000 2.649 785 I HA 0.309 4.479 4.170 -0.001 0.000 0.289 785 I C -1.689 173.729 176.117 -1.164 0.000 1.222 785 I CA -0.216 60.490 61.300 -0.989 0.000 1.046 785 I CB 1.600 39.348 38.000 -0.420 0.000 1.272 785 I HN 0.611 nan 8.210 nan 0.000 0.425 786 D N 6.721 126.605 120.400 -0.859 0.000 2.551 786 D HA 0.156 4.796 4.640 -0.001 0.000 0.223 786 D C -1.005 175.245 176.300 -0.083 0.000 1.144 786 D CA 0.664 54.487 54.000 -0.295 0.000 1.025 786 D CB -0.094 40.710 40.800 0.008 0.000 1.085 786 D HN 0.465 nan 8.370 nan 0.000 0.506 787 H N 1.318 120.292 119.070 -0.160 0.000 2.759 787 H HA 0.137 4.692 4.556 -0.001 0.000 0.354 787 H C 0.735 176.060 175.328 -0.006 0.000 1.074 787 H CA -0.356 55.645 56.048 -0.079 0.000 1.226 787 H CB 2.054 31.744 29.762 -0.121 0.000 1.648 787 H HN 0.132 nan 8.280 nan 0.000 0.529 788 T N 2.121 116.534 114.554 -0.236 0.000 2.822 788 T HA -0.140 4.209 4.350 -0.001 0.000 0.270 788 T C 0.876 175.699 174.700 0.205 0.000 1.064 788 T CA 1.958 64.045 62.100 -0.023 0.000 1.131 788 T CB 0.000 68.797 68.868 -0.119 0.000 0.858 788 T HN 0.549 nan 8.240 nan 0.000 0.483 789 D N 0.471 121.092 120.400 0.369 0.000 2.289 789 D HA 0.068 4.707 4.640 -0.001 0.000 0.207 789 D C 1.108 177.465 176.300 0.095 0.000 0.966 789 D CA 0.325 54.531 54.000 0.343 0.000 0.868 789 D CB -0.265 40.684 40.800 0.248 0.000 0.943 789 D HN 0.294 nan 8.370 nan 0.000 0.514 790 S N 1.479 117.190 115.700 0.018 0.000 3.829 790 S HA 0.015 4.485 4.470 -0.001 0.000 0.250 790 S C 1.072 175.523 174.600 -0.249 0.000 1.263 790 S CA -0.631 57.407 58.200 -0.271 0.000 0.955 790 S CB -0.694 62.374 63.200 -0.219 0.000 1.611 790 S HN 0.272 nan 8.310 nan 0.000 0.483 791 W N 2.816 123.933 121.300 -0.304 0.000 2.392 791 W HA 0.187 4.846 4.660 -0.001 0.000 0.279 791 W C 1.569 177.840 176.519 -0.413 0.000 1.225 791 W CA 0.670 57.649 57.345 -0.609 0.000 1.233 791 W CB -1.099 27.777 29.460 -0.974 0.000 1.122 791 W HN 0.521 nan 8.180 nan 0.000 0.561 792 G N -0.697 107.808 108.800 -0.491 0.000 2.813 792 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.209 792 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.209 792 G C 1.314 175.743 174.900 -0.785 0.000 1.150 792 G CA 1.227 45.689 45.100 -1.064 0.000 0.785 792 G HN 0.351 nan 8.290 nan 0.000 0.535 793 T N -1.016 113.316 114.554 -0.370 0.000 2.966 793 T HA 0.121 4.470 4.350 -0.001 0.000 0.254 793 T C 0.805 175.583 174.700 0.130 0.000 0.961 793 T CA -0.034 61.985 62.100 -0.135 0.000 0.915 793 T CB 0.072 68.894 68.868 -0.076 0.000 1.186 793 T HN 0.214 nan 8.240 nan 0.000 0.505 794 N N 1.647 120.431 118.700 0.139 0.000 2.571 794 N HA 0.304 5.044 4.740 -0.001 0.000 0.298 794 N C -0.555 175.156 175.510 0.336 0.000 1.671 794 N CA -0.225 53.002 53.050 0.296 0.000 0.900 794 N CB 0.686 39.315 38.487 0.236 0.000 1.365 794 N HN 0.379 nan 8.380 nan 0.000 0.493 795 Q N 0.421 120.462 119.800 0.403 0.000 2.193 795 Q HA 0.551 4.890 4.340 -0.001 0.000 0.246 795 Q C -0.481 175.853 176.000 0.557 0.000 0.959 795 Q CA -0.849 55.245 55.803 0.486 0.000 0.904 795 Q CB 1.317 30.344 28.738 0.482 0.000 1.238 795 Q HN 0.435 nan 8.270 nan 0.000 0.469 796 I N -0.883 119.917 120.570 0.384 0.000 2.545 796 I HA 0.736 4.905 4.170 -0.001 0.000 0.292 796 I C -0.654 175.508 176.117 0.075 0.000 1.040 796 I CA -0.657 60.816 61.300 0.287 0.000 1.068 796 I CB 2.119 40.290 38.000 0.285 0.000 1.251 796 I HN 0.709 nan 8.210 nan 0.000 0.424 797 T N 1.336 115.795 114.554 -0.158 0.000 2.778 797 T HA 0.450 4.799 4.350 -0.001 0.000 0.293 797 T C 0.839 175.451 174.700 -0.147 0.000 1.144 797 T CA -0.031 61.915 62.100 -0.256 0.000 1.010 797 T CB 1.510 69.850 68.868 -0.879 0.000 1.325 797 T HN 0.714 nan 8.240 nan 0.000 0.515 798 V N 0.182 120.116 119.914 0.033 0.000 2.591 798 V HA 0.072 4.192 4.120 -0.001 0.000 0.249 798 V C 2.119 178.357 176.094 0.240 0.000 1.053 798 V CA 1.486 63.903 62.300 0.196 0.000 1.068 798 V CB -1.324 30.716 31.823 0.361 0.000 0.689 798 V HN 0.935 nan 8.190 nan 0.000 0.462 799 N N -1.516 117.234 118.700 0.084 0.000 2.521 799 N HA -0.105 4.634 4.740 -0.001 0.000 0.188 799 N C 1.212 176.947 175.510 0.376 0.000 1.146 799 N CA 0.874 54.049 53.050 0.208 0.000 0.893 799 N CB -0.203 38.384 38.487 0.166 0.000 0.975 799 N HN 0.669 nan 8.380 nan 0.000 0.451 800 W N 0.627 121.995 121.300 0.112 0.000 2.893 800 W HA 0.372 5.032 4.660 -0.001 0.000 0.253 800 W C 1.818 178.362 176.519 0.042 0.000 1.171 800 W CA -0.666 56.708 57.345 0.049 0.000 1.480 800 W CB -0.848 28.607 29.460 -0.010 0.000 0.963 800 W HN 0.082 nan 8.180 nan 0.000 0.637 801 N N 0.520 119.299 118.700 0.132 0.000 2.416 801 N HA -0.026 4.713 4.740 -0.001 0.000 0.177 801 N C 1.647 177.411 175.510 0.424 0.000 1.036 801 N CA 0.979 54.074 53.050 0.075 0.000 0.901 801 N CB 0.385 38.482 38.487 -0.650 0.000 0.976 801 N HN -0.033 nan 8.380 nan 0.000 0.444 802 A N 2.569 125.726 122.820 0.562 0.000 1.841 802 A HA -0.047 4.272 4.320 -0.001 0.000 0.214 802 A C -0.316 177.527 177.584 0.432 0.000 1.195 802 A CA 1.140 53.500 52.037 0.539 0.000 0.611 802 A CB -1.545 17.730 19.000 0.459 0.000 0.835 802 A HN 0.236 nan 8.150 nan 0.000 0.443 803 P HA -0.164 nan 4.420 nan 0.000 0.218 803 P C 1.457 178.969 177.300 0.354 0.000 1.149 803 P CA 1.028 64.334 63.100 0.343 0.000 0.817 803 P CB -0.218 31.638 31.700 0.259 0.000 0.785 804 F N 1.371 121.432 119.950 0.186 0.000 2.293 804 F HA 0.028 4.555 4.527 -0.001 0.000 0.300 804 F C 2.206 178.095 175.800 0.147 0.000 1.086 804 F CA 0.964 59.037 58.000 0.122 0.000 1.375 804 F CB -0.782 38.258 39.000 0.067 0.000 1.045 804 F HN -0.078 nan 8.300 nan 0.000 0.516 805 A N -0.706 122.202 122.820 0.147 0.000 1.874 805 A HA -0.135 4.184 4.320 -0.001 0.000 0.214 805 A C 2.162 179.796 177.584 0.085 0.000 1.189 805 A CA 0.931 52.981 52.037 0.022 0.000 0.615 805 A CB -1.774 17.322 19.000 0.160 0.000 0.830 805 A HN 0.635 nan 8.150 nan 0.000 0.443 806 W N 0.526 121.851 121.300 0.043 0.000 2.304 806 W HA -0.260 4.399 4.660 -0.001 0.000 0.315 806 W C 2.063 178.608 176.519 0.045 0.000 1.233 806 W CA 2.556 59.950 57.345 0.082 0.000 1.261 806 W CB -0.154 29.388 29.460 0.136 0.000 1.150 806 W HN 0.135 nan 8.180 nan 0.000 0.494 807 V N 0.610 120.802 119.914 0.462 0.000 2.358 807 V HA -0.324 3.795 4.120 -0.001 0.000 0.246 807 V C 2.454 178.539 176.094 -0.016 0.000 1.047 807 V CA 2.522 64.975 62.300 0.255 0.000 1.035 807 V CB -1.283 30.611 31.823 0.119 0.000 0.658 807 V HN 0.465 nan 8.190 nan 0.000 0.452 808 T N -1.204 113.223 114.554 -0.211 0.000 2.821 808 T HA -0.089 4.260 4.350 -0.001 0.000 0.267 808 T C 1.956 176.583 174.700 -0.122 0.000 1.046 808 T CA 1.276 63.189 62.100 -0.312 0.000 1.139 808 T CB -0.459 68.136 68.868 -0.456 0.000 0.871 808 T HN 0.451 nan 8.240 nan 0.000 0.454 809 A N 0.907 123.684 122.820 -0.072 0.000 1.858 809 A HA -0.042 4.278 4.320 -0.001 0.000 0.216 809 A C 2.148 179.811 177.584 0.131 0.000 1.190 809 A CA 1.611 53.660 52.037 0.019 0.000 0.617 809 A CB -1.454 17.516 19.000 -0.050 0.000 0.827 809 A HN 0.556 nan 8.150 nan 0.000 0.443 810 Y N 0.570 120.820 120.300 -0.083 0.000 2.069 810 Y HA -0.259 4.290 4.550 -0.001 0.000 0.278 810 Y C 2.062 177.939 175.900 -0.038 0.000 1.175 810 Y CA 2.214 60.256 58.100 -0.096 0.000 1.134 810 Y CB -0.260 38.178 38.460 -0.036 0.000 0.965 810 Y HN 0.242 nan 8.280 nan 0.000 0.498 811 L N -0.420 120.919 121.223 0.193 0.000 2.275 811 L HA -0.177 4.162 4.340 -0.001 0.000 0.215 811 L C 1.902 178.830 176.870 0.097 0.000 1.119 811 L CA 1.354 56.240 54.840 0.077 0.000 0.790 811 L CB -0.482 41.353 42.059 -0.373 0.000 0.919 811 L HN 0.219 nan 8.230 nan 0.000 0.443 812 D N 0.055 120.534 120.400 0.131 0.000 2.194 812 D HA -0.179 4.460 4.640 -0.001 0.000 0.204 812 D C 2.127 178.474 176.300 0.079 0.000 0.964 812 D CA 1.056 55.188 54.000 0.221 0.000 0.846 812 D CB 0.271 41.283 40.800 0.354 0.000 0.962 812 D HN 0.509 nan 8.370 nan 0.000 0.490 813 E N -0.498 119.629 120.200 -0.122 0.000 2.051 813 E HA -0.173 4.177 4.350 -0.001 0.000 0.189 813 E C 2.178 178.611 176.600 -0.280 0.000 0.979 813 E CA 1.251 57.367 56.400 -0.474 0.000 0.803 813 E CB -0.820 28.442 29.700 -0.731 0.000 0.761 813 E HN 0.231 nan 8.360 nan 0.000 0.451 814 Q N 0.709 120.390 119.800 -0.198 0.000 2.522 814 Q HA -0.084 4.256 4.340 -0.001 0.000 0.216 814 Q C 1.028 177.038 176.000 0.017 0.000 0.986 814 Q CA 1.965 57.728 55.803 -0.066 0.000 0.901 814 Q CB -1.682 27.077 28.738 0.036 0.000 0.954 814 Q HN 0.607 nan 8.270 nan 0.000 0.502 815 Y N 0.000 120.302 120.300 0.003 0.000 2.660 815 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 815 Y CA 0.000 58.124 58.100 0.040 0.000 1.940 815 Y CB 0.000 38.515 38.460 0.091 0.000 1.050 815 Y HN 0.000 nan 8.280 nan 0.000 0.758