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 2f55_1_A DATA FIRST_RESID 190 DATA SEQUENCE PPAVPQTFQV AHLHAPTGSG KSTKVPAAYA AQGYKVLVLN PSVAATLGFG DATA SEQUENCE AYMSKAHGID PNIRTGVRTI TTGGSITYST YGKFLADGGC SGGAYDIIIC DATA SEQUENCE DECHSTDSTT ILGIGTVLDQ AETAGARLVV LATATPPGSV TVPHPNIEEI DATA SEQUENCE GLSNNGEIPF YGKAIPIEAI KGGRHLIFCH SKKKCDELAA KLTGLGLNAV DATA SEQUENCE AYYRGLDVSV IPPIGDVVVV ATDALXXXFT GDFDSVIDCN TCVTQTVDFS DATA SEQUENCE LDPTFTIETT TVPQDAVSRS QRRGRTGRGR SGIYRFVTPG ERPSGMFDSS DATA SEQUENCE VLCECYDAGC AWYELTPAET SVRLRAYLNT PGLPVCQDHL EFWESVFTGL DATA SEQUENCE THIDAHFLSQ TKQAGDNFPY LVAYQATVCA RAQAPPPSWD QMWKCLIRLK DATA SEQUENCE PTLHGPTPLL YRLGAVQNEV ILTHPITKYI MACMS 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 190 P HA 0.000 nan 4.420 nan 0.000 0.216 190 P C 0.000 177.243 177.300 -0.096 0.000 1.155 190 P CA 0.000 62.978 63.100 -0.204 0.000 0.800 190 P CB 0.000 31.432 31.700 -0.446 0.000 0.726 191 P HA 0.378 nan 4.420 nan 0.000 0.272 191 P C -0.588 176.761 177.300 0.082 0.000 1.225 191 P CA -0.216 62.901 63.100 0.028 0.000 0.800 191 P CB 0.369 32.081 31.700 0.020 0.000 0.894 192 A N 0.453 123.283 122.820 0.016 0.000 2.295 192 A HA 0.509 4.829 4.320 0.001 0.000 0.318 192 A C -0.238 177.290 177.584 -0.093 0.000 1.134 192 A CA -0.619 51.415 52.037 -0.004 0.000 0.827 192 A CB 0.789 19.785 19.000 -0.007 0.000 1.136 192 A HN 0.441 nan 8.150 nan 0.000 0.493 193 V N 0.148 119.961 119.914 -0.168 0.000 2.221 193 V HA 0.382 4.503 4.120 0.001 0.000 0.258 193 V C -2.625 173.401 176.094 -0.113 0.000 1.179 193 V CA -1.987 60.164 62.300 -0.247 0.000 1.022 193 V CB -0.634 30.915 31.823 -0.458 0.000 1.228 193 V HN 0.633 nan 8.190 nan 0.000 0.487 194 P HA 0.019 nan 4.420 nan 0.000 0.267 194 P C 1.066 178.356 177.300 -0.017 0.000 1.195 194 P CA 0.142 63.213 63.100 -0.048 0.000 0.773 194 P CB 0.604 32.265 31.700 -0.065 0.000 0.837 195 Q N 0.121 119.926 119.800 0.009 0.000 2.096 195 Q HA -0.078 4.263 4.340 0.001 0.000 0.204 195 Q C 0.794 176.817 176.000 0.038 0.000 0.982 195 Q CA 1.636 57.456 55.803 0.029 0.000 0.850 195 Q CB -1.107 27.648 28.738 0.028 0.000 0.901 195 Q HN 0.566 nan 8.270 nan 0.000 0.422 196 T N 0.534 115.109 114.554 0.034 0.000 2.793 196 T HA 0.263 4.613 4.350 0.001 0.000 0.299 196 T C -0.053 174.702 174.700 0.090 0.000 1.038 196 T CA -0.678 61.462 62.100 0.067 0.000 0.948 196 T CB 0.286 69.188 68.868 0.056 0.000 1.231 196 T HN 0.079 nan 8.240 nan 0.000 0.538 197 F N 1.112 121.055 119.950 -0.012 0.000 2.385 197 F HA 0.550 5.077 4.527 0.001 0.000 0.336 197 F C 0.073 175.859 175.800 -0.023 0.000 1.100 197 F CA -0.623 57.365 58.000 -0.020 0.000 1.116 197 F CB 0.926 39.918 39.000 -0.013 0.000 1.166 197 F HN 0.429 nan 8.300 nan 0.000 0.511 198 Q N 3.899 123.051 119.800 -1.080 0.000 2.353 198 Q HA 0.516 4.857 4.340 0.001 0.000 0.275 198 Q C -2.156 173.359 176.000 -0.809 0.000 1.029 198 Q CA -0.845 54.536 55.803 -0.704 0.000 0.848 198 Q CB 2.377 30.912 28.738 -0.338 0.000 1.390 198 Q HN 0.574 nan 8.270 nan 0.000 0.401 199 V N 2.724 122.383 119.914 -0.424 0.000 2.328 199 V HA 0.720 4.840 4.120 0.001 0.000 0.278 199 V C 0.112 176.122 176.094 -0.139 0.000 1.021 199 V CA -0.218 61.929 62.300 -0.255 0.000 0.838 199 V CB 0.612 32.392 31.823 -0.071 0.000 0.999 199 V HN 0.848 nan 8.190 nan 0.000 0.447 200 A N 4.376 127.096 122.820 -0.166 0.000 2.274 200 A HA 0.787 5.108 4.320 0.001 0.000 0.297 200 A C -0.227 177.294 177.584 -0.104 0.000 1.191 200 A CA -0.422 51.559 52.037 -0.094 0.000 0.889 200 A CB 0.830 19.761 19.000 -0.116 0.000 1.294 200 A HN 0.840 nan 8.150 nan 0.000 0.506 201 H N -0.260 118.708 119.070 -0.171 0.000 3.096 201 H HA 0.343 4.899 4.556 0.001 0.000 0.335 201 H C -1.493 173.616 175.328 -0.366 0.000 0.990 201 H CA -0.294 55.600 56.048 -0.258 0.000 1.393 201 H CB 1.158 30.757 29.762 -0.272 0.000 1.742 201 H HN 0.440 nan 8.280 nan 0.000 0.501 202 L N 2.715 123.780 121.223 -0.264 0.000 2.344 202 L HA 0.290 4.630 4.340 0.001 0.000 0.272 202 L C 0.205 176.916 176.870 -0.265 0.000 1.035 202 L CA -0.617 54.096 54.840 -0.212 0.000 0.807 202 L CB 1.109 43.117 42.059 -0.085 0.000 1.237 202 L HN 0.669 nan 8.230 nan 0.000 0.442 203 H N 1.230 120.314 119.070 0.024 0.000 3.064 203 H HA 0.303 4.860 4.556 0.001 0.000 0.232 203 H C -0.063 175.264 175.328 -0.002 0.000 1.308 203 H CA -0.528 55.530 56.048 0.018 0.000 1.010 203 H CB 0.716 30.488 29.762 0.016 0.000 2.408 203 H HN 0.587 nan 8.280 nan 0.000 0.599 204 A N 2.512 125.391 122.820 0.098 0.000 2.407 204 A HA 0.421 4.741 4.320 0.001 0.000 0.248 204 A C -1.972 175.633 177.584 0.034 0.000 1.082 204 A CA -1.060 51.003 52.037 0.044 0.000 0.785 204 A CB 0.271 19.279 19.000 0.014 0.000 1.020 204 A HN 0.044 nan 8.150 nan 0.000 0.489 205 P HA 0.087 nan 4.420 nan 0.000 0.269 205 P C -0.133 177.162 177.300 -0.009 0.000 1.215 205 P CA 0.031 63.121 63.100 -0.016 0.000 0.780 205 P CB 0.082 31.759 31.700 -0.037 0.000 0.898 206 T N 0.811 115.357 114.554 -0.013 0.000 2.933 206 T HA 0.263 4.614 4.350 0.001 0.000 0.306 206 T C 1.097 175.798 174.700 0.002 0.000 1.045 206 T CA 1.554 63.657 62.100 0.006 0.000 1.143 206 T CB -0.825 68.046 68.868 0.004 0.000 1.003 206 T HN 0.874 nan 8.240 nan 0.000 0.540 207 G N 2.069 110.877 108.800 0.013 0.000 2.417 207 G HA2 -0.117 3.843 3.960 0.001 0.000 0.291 207 G HA3 -0.117 3.843 3.960 0.001 0.000 0.291 207 G C 0.378 175.275 174.900 -0.005 0.000 1.094 207 G CA 0.163 45.265 45.100 0.003 0.000 1.146 207 G HN 1.427 nan 8.290 nan 0.000 0.519 208 S N -1.184 114.509 115.700 -0.011 0.000 2.998 208 S HA 0.517 4.987 4.470 0.001 0.000 0.256 208 S C 1.639 176.229 174.600 -0.018 0.000 0.970 208 S CA 1.025 59.220 58.200 -0.009 0.000 1.238 208 S CB 0.658 63.853 63.200 -0.008 0.000 1.170 208 S HN 2.421 nan 8.310 nan 0.000 0.663 209 G N 2.021 110.799 108.800 -0.037 0.000 2.141 209 G HA2 -0.271 3.689 3.960 0.001 0.000 0.231 209 G HA3 -0.271 3.689 3.960 0.001 0.000 0.231 209 G C 0.704 175.548 174.900 -0.093 0.000 0.984 209 G CA 0.347 45.411 45.100 -0.060 0.000 0.660 209 G HN 0.480 nan 8.290 nan 0.000 0.525 210 K N 0.488 120.842 120.400 -0.077 0.000 2.152 210 K HA -0.077 4.243 4.320 0.001 0.000 0.206 210 K C 2.403 178.924 176.600 -0.131 0.000 1.048 210 K CA 1.826 58.066 56.287 -0.079 0.000 0.933 210 K CB -0.151 32.329 32.500 -0.034 0.000 0.721 210 K HN 0.693 nan 8.250 nan 0.000 0.447 211 S N -1.576 113.999 115.700 -0.207 0.000 2.578 211 S HA 0.042 4.512 4.470 0.001 0.000 0.231 211 S C 1.215 175.538 174.600 -0.462 0.000 0.994 211 S CA 0.206 58.174 58.200 -0.387 0.000 0.956 211 S CB 0.816 63.650 63.200 -0.610 0.000 0.870 211 S HN 0.283 nan 8.310 nan 0.000 0.494 212 T N 0.710 115.095 114.554 -0.282 0.000 3.221 212 T HA 0.294 4.644 4.350 0.001 0.000 0.250 212 T C 1.431 176.052 174.700 -0.131 0.000 0.988 212 T CA 0.140 62.130 62.100 -0.184 0.000 1.163 212 T CB -0.166 68.609 68.868 -0.154 0.000 1.098 212 T HN 0.170 nan 8.240 nan 0.000 0.422 213 K N 0.851 121.210 120.400 -0.069 0.000 2.076 213 K HA 0.116 4.436 4.320 0.001 0.000 0.204 213 K C 2.298 178.814 176.600 -0.141 0.000 1.051 213 K CA 1.220 57.479 56.287 -0.046 0.000 0.949 213 K CB -0.335 32.172 32.500 0.012 0.000 0.726 213 K HN 0.203 nan 8.250 nan 0.000 0.443 214 V N 2.694 122.503 119.914 -0.176 0.000 2.250 214 V HA -0.251 3.870 4.120 0.001 0.000 0.250 214 V C -0.758 175.141 176.094 -0.326 0.000 1.060 214 V CA 2.103 64.226 62.300 -0.296 0.000 1.030 214 V CB -1.536 30.166 31.823 -0.202 0.000 0.643 214 V HN 0.277 nan 8.190 nan 0.000 0.445 215 P HA -0.209 nan 4.420 nan 0.000 0.213 215 P C 1.751 179.019 177.300 -0.053 0.000 1.170 215 P CA 2.494 65.563 63.100 -0.052 0.000 0.898 215 P CB -0.222 31.402 31.700 -0.127 0.000 0.787 216 A N 0.770 123.522 122.820 -0.113 0.000 1.940 216 A HA -0.257 4.063 4.320 0.001 0.000 0.221 216 A C 2.553 180.119 177.584 -0.030 0.000 1.190 216 A CA 3.098 55.077 52.037 -0.097 0.000 0.647 216 A CB -1.706 17.165 19.000 -0.216 0.000 0.821 216 A HN 0.303 nan 8.150 nan 0.000 0.457 217 A N -1.389 121.374 122.820 -0.095 0.000 1.845 217 A HA -0.080 4.240 4.320 0.001 0.000 0.215 217 A C 2.037 179.636 177.584 0.025 0.000 1.195 217 A CA 1.668 53.646 52.037 -0.098 0.000 0.616 217 A CB -0.986 17.850 19.000 -0.273 0.000 0.832 217 A HN 0.572 nan 8.150 nan 0.000 0.443 218 Y N 0.105 120.428 120.300 0.039 0.000 2.298 218 Y HA -0.134 4.416 4.550 0.001 0.000 0.287 218 Y C 2.808 178.842 175.900 0.224 0.000 1.164 218 Y CA 0.426 58.599 58.100 0.121 0.000 1.229 218 Y CB -0.879 37.562 38.460 -0.031 0.000 0.977 218 Y HN 0.354 nan 8.280 nan 0.000 0.538 219 A N -0.155 122.809 122.820 0.240 0.000 1.874 219 A HA 0.202 4.523 4.320 0.001 0.000 0.214 219 A C 2.064 179.714 177.584 0.109 0.000 1.189 219 A CA 0.826 52.952 52.037 0.149 0.000 0.615 219 A CB -0.945 18.103 19.000 0.081 0.000 0.830 219 A HN 0.245 nan 8.150 nan 0.000 0.443 220 A N -0.912 121.965 122.820 0.096 0.000 2.305 220 A HA 0.317 4.637 4.320 0.001 0.000 0.236 220 A C 1.117 178.744 177.584 0.070 0.000 1.392 220 A CA 0.602 52.680 52.037 0.068 0.000 1.205 220 A CB -0.548 18.488 19.000 0.060 0.000 0.881 220 A HN 0.652 nan 8.150 nan 0.000 0.558 221 Q N -2.324 117.519 119.800 0.071 0.000 2.353 221 Q HA 0.252 4.592 4.340 0.001 0.000 0.226 221 Q C 0.968 176.855 176.000 -0.189 0.000 0.741 221 Q CA 0.506 56.313 55.803 0.007 0.000 0.934 221 Q CB 0.953 29.806 28.738 0.191 0.000 1.292 221 Q HN 0.952 nan 8.270 nan 0.000 0.481 222 G N 0.210 108.896 108.800 -0.191 0.000 2.234 222 G HA2 -0.137 3.824 3.960 0.001 0.000 0.153 222 G HA3 -0.137 3.824 3.960 0.001 0.000 0.153 222 G C -0.760 173.961 174.900 -0.298 0.000 1.013 222 G CA -0.636 44.310 45.100 -0.257 0.000 0.712 222 G HN 0.103 nan 8.290 nan 0.000 0.491 223 Y N 1.179 121.501 120.300 0.036 0.000 2.313 223 Y HA 0.610 5.160 4.550 0.001 0.000 0.332 223 Y C 0.790 176.704 175.900 0.023 0.000 1.071 223 Y CA -0.954 57.156 58.100 0.016 0.000 1.169 223 Y CB 1.178 39.638 38.460 -0.000 0.000 1.192 223 Y HN -0.178 nan 8.280 nan 0.000 0.487 224 K N 4.315 124.815 120.400 0.167 0.000 2.310 224 K HA 0.302 4.622 4.320 0.001 0.000 0.290 224 K C -0.993 175.712 176.600 0.175 0.000 1.077 224 K CA -0.200 56.170 56.287 0.139 0.000 0.922 224 K CB 0.142 32.693 32.500 0.086 0.000 1.057 224 K HN 0.641 nan 8.250 nan 0.000 0.479 225 V N 2.646 122.638 119.914 0.130 0.000 2.532 225 V HA 0.569 4.689 4.120 0.001 0.000 0.295 225 V C -0.470 175.560 176.094 -0.106 0.000 1.041 225 V CA -1.257 61.049 62.300 0.009 0.000 0.926 225 V CB 1.436 33.239 31.823 -0.033 0.000 0.992 225 V HN 0.532 nan 8.190 nan 0.000 0.457 226 L N 5.154 126.158 121.223 -0.364 0.000 2.365 226 L HA 0.871 5.212 4.340 0.001 0.000 0.273 226 L C -0.695 175.855 176.870 -0.533 0.000 1.000 226 L CA -0.405 53.992 54.840 -0.738 0.000 0.819 226 L CB 2.051 43.260 42.059 -1.416 0.000 1.284 226 L HN 0.613 nan 8.230 nan 0.000 0.418 227 V N 6.128 125.725 119.914 -0.528 0.000 2.482 227 V HA 0.465 4.586 4.120 0.001 0.000 0.295 227 V C -0.309 175.573 176.094 -0.354 0.000 1.026 227 V CA -0.539 61.508 62.300 -0.422 0.000 0.856 227 V CB 1.447 32.968 31.823 -0.502 0.000 1.001 227 V HN 0.649 nan 8.190 nan 0.000 0.424 228 L N 4.622 125.600 121.223 -0.407 0.000 2.295 228 L HA 0.663 5.004 4.340 0.001 0.000 0.285 228 L C -0.056 176.457 176.870 -0.595 0.000 1.035 228 L CA -0.262 54.211 54.840 -0.613 0.000 0.806 228 L CB 1.589 43.055 42.059 -0.988 0.000 1.214 228 L HN 0.605 nan 8.230 nan 0.000 0.426 229 N N 3.540 121.950 118.700 -0.484 0.000 2.321 229 N HA 0.462 5.203 4.740 0.001 0.000 0.290 229 N C -2.331 173.023 175.510 -0.259 0.000 1.212 229 N CA -1.595 51.324 53.050 -0.218 0.000 0.767 229 N CB 3.364 41.907 38.487 0.094 0.000 1.494 229 N HN 0.231 nan 8.380 nan 0.000 0.479 230 P HA 0.023 nan 4.420 nan 0.000 0.234 230 P C 0.346 177.642 177.300 -0.008 0.000 1.175 230 P CA 0.355 63.483 63.100 0.047 0.000 0.801 230 P CB 0.474 32.242 31.700 0.112 0.000 0.891 231 S N -0.234 115.443 115.700 -0.038 0.000 2.537 231 S HA 0.210 4.681 4.470 0.001 0.000 0.275 231 S C 1.323 175.883 174.600 -0.068 0.000 1.272 231 S CA -0.623 57.543 58.200 -0.056 0.000 1.050 231 S CB 0.817 63.973 63.200 -0.074 0.000 0.961 231 S HN -0.229 nan 8.310 nan 0.000 0.496 232 V N 5.376 125.256 119.914 -0.057 0.000 2.427 232 V HA -0.104 4.016 4.120 0.001 0.000 0.248 232 V C 2.518 178.571 176.094 -0.069 0.000 1.051 232 V CA 2.300 64.570 62.300 -0.050 0.000 1.048 232 V CB -1.261 30.537 31.823 -0.042 0.000 0.666 232 V HN 0.961 nan 8.190 nan 0.000 0.456 233 A N 0.154 122.924 122.820 -0.083 0.000 1.825 233 A HA -0.098 4.223 4.320 0.001 0.000 0.214 233 A C 2.483 179.965 177.584 -0.170 0.000 1.206 233 A CA 1.996 53.972 52.037 -0.103 0.000 0.609 233 A CB -1.236 17.707 19.000 -0.095 0.000 0.851 233 A HN 0.577 nan 8.150 nan 0.000 0.445 234 A N -0.968 121.721 122.820 -0.218 0.000 2.009 234 A HA -0.212 4.109 4.320 0.001 0.000 0.222 234 A C 2.258 179.504 177.584 -0.564 0.000 1.175 234 A CA 2.757 54.544 52.037 -0.417 0.000 0.651 234 A CB -1.548 17.247 19.000 -0.342 0.000 0.815 234 A HN 0.524 nan 8.150 nan 0.000 0.459 235 T N 0.484 114.881 114.554 -0.262 0.000 2.643 235 T HA -0.109 4.241 4.350 0.001 0.000 0.264 235 T C 1.750 176.371 174.700 -0.132 0.000 1.045 235 T CA 1.541 63.575 62.100 -0.111 0.000 1.155 235 T CB -0.454 68.407 68.868 -0.011 0.000 0.863 235 T HN 0.422 nan 8.240 nan 0.000 0.420 236 L N 0.892 122.048 121.223 -0.111 0.000 2.353 236 L HA 0.013 4.354 4.340 0.001 0.000 0.220 236 L C 2.865 179.663 176.870 -0.121 0.000 1.133 236 L CA 0.857 55.651 54.840 -0.077 0.000 0.798 236 L CB -0.952 41.078 42.059 -0.048 0.000 0.922 236 L HN 0.364 nan 8.230 nan 0.000 0.445 237 G N 0.144 108.800 108.800 -0.240 0.000 2.404 237 G HA2 -0.239 3.722 3.960 0.001 0.000 0.215 237 G HA3 -0.239 3.722 3.960 0.001 0.000 0.215 237 G C 1.263 176.050 174.900 -0.188 0.000 1.174 237 G CA 0.352 45.302 45.100 -0.250 0.000 0.780 237 G HN 0.171 nan 8.290 nan 0.000 0.537 238 F N 1.932 121.730 119.950 -0.253 0.000 2.171 238 F HA 0.066 4.594 4.527 0.001 0.000 0.300 238 F C 2.843 178.366 175.800 -0.461 0.000 1.090 238 F CA 0.304 58.011 58.000 -0.488 0.000 1.293 238 F CB -1.078 37.259 39.000 -1.105 0.000 1.013 238 F HN 0.175 nan 8.300 nan 0.000 0.486 239 G N -0.077 108.611 108.800 -0.187 0.000 2.514 239 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 239 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 239 G C 1.968 176.883 174.900 0.026 0.000 1.198 239 G CA 1.438 46.511 45.100 -0.045 0.000 0.780 239 G HN 0.477 nan 8.290 nan 0.000 0.565 240 A N 0.097 122.936 122.820 0.031 0.000 1.851 240 A HA -0.113 4.207 4.320 0.001 0.000 0.216 240 A C 2.198 179.823 177.584 0.069 0.000 1.195 240 A CA 1.985 54.050 52.037 0.046 0.000 0.622 240 A CB -1.050 17.975 19.000 0.043 0.000 0.831 240 A HN 0.539 nan 8.150 nan 0.000 0.444 241 Y N 0.047 120.356 120.300 0.014 0.000 1.977 241 Y HA -0.351 4.199 4.550 0.001 0.000 0.264 241 Y C 2.455 178.408 175.900 0.090 0.000 1.167 241 Y CA 2.686 60.820 58.100 0.058 0.000 1.102 241 Y CB -0.356 38.159 38.460 0.092 0.000 0.948 241 Y HN 0.261 nan 8.280 nan 0.000 0.489 242 M N -0.100 119.630 119.600 0.217 0.000 2.252 242 M HA -0.289 4.192 4.480 0.001 0.000 0.257 242 M C 2.066 178.402 176.300 0.061 0.000 1.077 242 M CA 2.019 57.408 55.300 0.150 0.000 1.066 242 M CB -1.385 31.319 32.600 0.173 0.000 1.380 242 M HN 0.360 nan 8.290 nan 0.000 0.412 243 S N -0.584 115.126 115.700 0.017 0.000 2.371 243 S HA -0.037 4.433 4.470 0.001 0.000 0.219 243 S C 1.778 176.348 174.600 -0.049 0.000 1.040 243 S CA 0.638 58.843 58.200 0.007 0.000 0.958 243 S CB -0.067 63.145 63.200 0.021 0.000 0.860 243 S HN 0.424 nan 8.310 nan 0.000 0.487 244 K N 1.565 121.910 120.400 -0.090 0.000 2.173 244 K HA -0.115 4.205 4.320 0.001 0.000 0.207 244 K C 0.058 176.562 176.600 -0.159 0.000 1.046 244 K CA 1.374 57.592 56.287 -0.113 0.000 0.929 244 K CB -0.082 32.346 32.500 -0.121 0.000 0.720 244 K HN 0.339 nan 8.250 nan 0.000 0.453 245 A N -0.054 122.619 122.820 -0.245 0.000 2.771 245 A HA 0.327 4.647 4.320 0.001 0.000 0.301 245 A C -0.785 176.651 177.584 -0.248 0.000 1.194 245 A CA -0.730 51.158 52.037 -0.249 0.000 0.837 245 A CB 0.453 19.275 19.000 -0.296 0.000 1.438 245 A HN 0.435 nan 8.150 nan 0.000 0.436 246 H N 0.741 119.740 119.070 -0.119 0.000 1.955 246 H HA 0.006 4.563 4.556 0.001 0.000 0.130 246 H C 1.145 176.463 175.328 -0.017 0.000 1.019 246 H CA 0.553 56.571 56.048 -0.050 0.000 0.509 246 H CB 0.041 29.789 29.762 -0.023 0.000 0.580 246 H HN 1.838 nan 8.280 nan 0.000 0.310 247 G N 2.320 111.169 108.800 0.082 0.000 2.366 247 G HA2 -0.267 3.693 3.960 0.001 0.000 0.299 247 G HA3 -0.267 3.693 3.960 0.001 0.000 0.299 247 G C 0.181 175.128 174.900 0.078 0.000 1.020 247 G CA 0.949 46.084 45.100 0.058 0.000 1.026 247 G HN 0.479 nan 8.290 nan 0.000 0.512 248 I N -0.620 120.004 120.570 0.090 0.000 2.534 248 I HA 0.333 4.503 4.170 0.001 0.000 0.286 248 I C -1.370 174.803 176.117 0.093 0.000 1.094 248 I CA -1.010 60.343 61.300 0.088 0.000 1.055 248 I CB 1.364 39.419 38.000 0.091 0.000 1.225 248 I HN -0.068 nan 8.210 nan 0.000 0.435 249 D N 10.227 130.676 120.400 0.082 0.000 2.456 249 D HA 0.323 4.964 4.640 0.001 0.000 0.219 249 D C -2.360 174.007 176.300 0.111 0.000 1.126 249 D CA -0.922 53.130 54.000 0.086 0.000 0.890 249 D CB 1.262 42.100 40.800 0.064 0.000 1.025 249 D HN 0.377 nan 8.370 nan 0.000 0.511 250 P HA 0.131 nan 4.420 nan 0.000 0.282 250 P C -0.465 176.948 177.300 0.188 0.000 1.249 250 P CA -0.691 62.535 63.100 0.209 0.000 0.806 250 P CB 1.314 33.265 31.700 0.419 0.000 0.984 251 N N 3.246 122.041 118.700 0.159 0.000 2.472 251 N HA 0.283 5.023 4.740 0.001 0.000 0.277 251 N C 0.095 175.707 175.510 0.171 0.000 1.081 251 N CA -0.489 52.644 53.050 0.139 0.000 0.973 251 N CB 1.076 39.630 38.487 0.112 0.000 1.105 251 N HN 0.352 nan 8.380 nan 0.000 0.470 252 I N 1.071 121.733 120.570 0.152 0.000 2.566 252 I HA 0.378 4.549 4.170 0.001 0.000 0.303 252 I C 0.511 176.698 176.117 0.117 0.000 0.983 252 I CA -0.724 60.670 61.300 0.155 0.000 1.235 252 I CB 0.934 39.004 38.000 0.117 0.000 1.386 252 I HN 0.264 nan 8.210 nan 0.000 0.494 253 R N 2.872 123.438 120.500 0.110 0.000 2.531 253 R HA 0.477 4.817 4.340 0.001 0.000 0.293 253 R C -0.847 175.498 176.300 0.075 0.000 1.124 253 R CA -0.460 55.696 56.100 0.093 0.000 0.945 253 R CB 2.150 32.516 30.300 0.109 0.000 1.195 253 R HN 0.911 nan 8.270 nan 0.000 0.433 254 T N -2.262 112.327 114.554 0.059 0.000 2.590 254 T HA 0.482 4.832 4.350 0.001 0.000 0.282 254 T C 0.846 175.569 174.700 0.038 0.000 0.989 254 T CA -0.097 62.029 62.100 0.042 0.000 1.091 254 T CB 1.379 70.261 68.868 0.024 0.000 1.460 254 T HN 0.358 nan 8.240 nan 0.000 0.499 255 G N 0.070 108.883 108.800 0.020 0.000 2.508 255 G HA2 0.099 4.059 3.960 0.001 0.000 0.212 255 G HA3 0.099 4.059 3.960 0.001 0.000 0.212 255 G C 1.475 176.384 174.900 0.014 0.000 1.206 255 G CA 0.787 45.896 45.100 0.015 0.000 0.822 255 G HN 0.692 nan 8.290 nan 0.000 0.550 256 V N 0.539 120.456 119.914 0.005 0.000 2.546 256 V HA -0.020 4.101 4.120 0.001 0.000 0.254 256 V C 1.791 177.894 176.094 0.014 0.000 1.076 256 V CA 1.992 64.296 62.300 0.006 0.000 1.087 256 V CB -0.595 31.227 31.823 -0.002 0.000 0.674 256 V HN 0.310 nan 8.190 nan 0.000 0.470 257 R N -1.722 118.790 120.500 0.020 0.000 3.482 257 R HA 0.666 5.006 4.340 0.001 0.000 0.231 257 R C -1.162 175.159 176.300 0.036 0.000 1.451 257 R CA 0.078 56.194 56.100 0.026 0.000 0.961 257 R CB 1.637 31.951 30.300 0.024 0.000 1.579 257 R HN 0.141 nan 8.270 nan 0.000 0.491 258 T N -0.113 114.466 114.554 0.042 0.000 3.248 258 T HA 0.379 4.730 4.350 0.001 0.000 0.400 258 T C -1.713 173.018 174.700 0.052 0.000 1.758 258 T CA -0.591 61.541 62.100 0.053 0.000 1.080 258 T CB 0.290 69.189 68.868 0.051 0.000 1.694 258 T HN 0.384 nan 8.240 nan 0.000 0.483 259 I N 2.372 122.979 120.570 0.062 0.000 2.608 259 I HA 0.259 4.430 4.170 0.001 0.000 0.280 259 I C -0.401 175.757 176.117 0.069 0.000 1.186 259 I CA -0.458 60.877 61.300 0.059 0.000 1.081 259 I CB 2.139 40.175 38.000 0.059 0.000 1.272 259 I HN 0.523 nan 8.210 nan 0.000 0.460 260 T N 2.891 117.481 114.554 0.059 0.000 2.910 260 T HA 0.142 4.492 4.350 0.001 0.000 0.323 260 T C 1.231 175.963 174.700 0.053 0.000 1.091 260 T CA -0.339 61.798 62.100 0.061 0.000 0.960 260 T CB 0.535 69.435 68.868 0.053 0.000 1.024 260 T HN 0.739 nan 8.240 nan 0.000 0.509 261 T N -0.218 114.372 114.554 0.061 0.000 3.113 261 T HA 0.260 4.610 4.350 0.001 0.000 0.256 261 T C 1.939 176.666 174.700 0.045 0.000 1.131 261 T CA 0.502 62.633 62.100 0.053 0.000 1.074 261 T CB -0.096 68.810 68.868 0.062 0.000 0.944 261 T HN 0.816 nan 8.240 nan 0.000 0.516 262 G N 0.629 109.456 108.800 0.045 0.000 2.179 262 G HA2 -0.106 3.854 3.960 0.001 0.000 0.260 262 G HA3 -0.106 3.854 3.960 0.001 0.000 0.260 262 G C 0.456 175.376 174.900 0.033 0.000 0.977 262 G CA -0.118 45.002 45.100 0.033 0.000 0.641 262 G HN 1.045 nan 8.290 nan 0.000 0.533 263 G N 0.031 108.859 108.800 0.048 0.000 2.539 263 G HA2 0.563 4.523 3.960 0.001 0.000 0.258 263 G HA3 0.563 4.523 3.960 0.001 0.000 0.258 263 G C 1.255 176.188 174.900 0.055 0.000 1.202 263 G CA 0.904 46.034 45.100 0.050 0.000 0.851 263 G HN 1.254 nan 8.290 nan 0.000 0.556 264 S N 0.215 115.946 115.700 0.051 0.000 2.402 264 S HA -0.046 4.424 4.470 0.001 0.000 0.229 264 S C 0.978 175.632 174.600 0.089 0.000 1.021 264 S CA 0.347 58.586 58.200 0.065 0.000 0.974 264 S CB -0.300 62.932 63.200 0.054 0.000 0.800 264 S HN 0.311 nan 8.310 nan 0.000 0.484 265 I N 2.844 123.443 120.570 0.048 0.000 2.471 265 I HA 0.280 4.451 4.170 0.001 0.000 0.286 265 I C 0.100 176.189 176.117 -0.046 0.000 1.079 265 I CA 0.496 61.774 61.300 -0.037 0.000 1.398 265 I CB 0.570 38.539 38.000 -0.053 0.000 1.403 265 I HN 0.029 nan 8.210 nan 0.000 0.530 266 T N 5.782 120.245 114.554 -0.152 0.000 2.848 266 T HA 0.514 4.865 4.350 0.001 0.000 0.285 266 T C -0.883 173.620 174.700 -0.328 0.000 0.995 266 T CA -0.456 61.592 62.100 -0.088 0.000 0.970 266 T CB 0.617 69.544 68.868 0.099 0.000 0.976 266 T HN 0.127 nan 8.240 nan 0.000 0.441 267 Y N 1.588 121.895 120.300 0.012 0.000 2.360 267 Y HA 0.666 5.216 4.550 0.001 0.000 0.337 267 Y C 0.632 176.529 175.900 -0.004 0.000 1.039 267 Y CA -0.339 57.766 58.100 0.008 0.000 1.109 267 Y CB 2.034 40.554 38.460 0.100 0.000 1.201 267 Y HN 0.690 nan 8.280 nan 0.000 0.458 268 S N 1.145 116.887 115.700 0.071 0.000 2.565 268 S HA 0.495 4.966 4.470 0.001 0.000 0.274 268 S C -0.861 173.699 174.600 -0.067 0.000 1.144 268 S CA -0.720 57.493 58.200 0.021 0.000 0.849 268 S CB 0.719 63.929 63.200 0.016 0.000 1.103 268 S HN 0.738 nan 8.310 nan 0.000 0.455 269 T N 1.584 116.121 114.554 -0.028 0.000 2.899 269 T HA 0.457 4.808 4.350 0.001 0.000 0.284 269 T C 0.697 175.382 174.700 -0.025 0.000 1.004 269 T CA -0.250 61.806 62.100 -0.074 0.000 1.043 269 T CB 0.312 69.178 68.868 -0.004 0.000 1.013 269 T HN 0.606 nan 8.240 nan 0.000 0.518 270 Y N 1.333 121.651 120.300 0.031 0.000 2.352 270 Y HA 0.122 4.672 4.550 0.001 0.000 0.292 270 Y C 2.650 178.584 175.900 0.057 0.000 1.136 270 Y CA 1.259 59.396 58.100 0.062 0.000 1.227 270 Y CB -0.976 37.465 38.460 -0.031 0.000 0.991 270 Y HN 0.905 nan 8.280 nan 0.000 0.545 271 G N -0.270 108.636 108.800 0.177 0.000 2.414 271 G HA2 -0.286 3.675 3.960 0.001 0.000 0.215 271 G HA3 -0.286 3.675 3.960 0.001 0.000 0.215 271 G C 1.725 176.750 174.900 0.207 0.000 1.188 271 G CA 1.105 46.308 45.100 0.172 0.000 0.783 271 G HN 0.220 nan 8.290 nan 0.000 0.537 272 K N 0.216 120.708 120.400 0.154 0.000 2.062 272 K HA 0.011 4.331 4.320 0.001 0.000 0.205 272 K C 2.044 178.738 176.600 0.156 0.000 1.051 272 K CA 0.762 57.135 56.287 0.142 0.000 0.941 272 K CB -0.717 31.848 32.500 0.109 0.000 0.719 272 K HN 0.221 nan 8.250 nan 0.000 0.440 273 F N 0.485 120.457 119.950 0.036 0.000 2.126 273 F HA -0.174 4.353 4.527 0.000 0.000 0.299 273 F C 1.503 177.316 175.800 0.023 0.000 1.096 273 F CA 1.166 59.182 58.000 0.026 0.000 1.255 273 F CB -0.489 38.514 39.000 0.005 0.000 0.997 273 F HN 0.032 nan 8.300 nan 0.000 0.479 274 L N 1.074 122.159 121.223 -0.230 0.000 1.961 274 L HA -0.074 4.267 4.340 0.001 0.000 0.210 274 L C 2.777 179.538 176.870 -0.181 0.000 1.072 274 L CA 2.236 56.815 54.840 -0.436 0.000 0.749 274 L CB -1.829 39.822 42.059 -0.679 0.000 0.889 274 L HN 0.229 nan 8.230 nan 0.000 0.432 275 A N -1.024 121.880 122.820 0.140 0.000 2.148 275 A HA -0.223 4.097 4.320 0.001 0.000 0.222 275 A C 1.442 179.062 177.584 0.061 0.000 1.161 275 A CA 1.828 53.996 52.037 0.219 0.000 0.662 275 A CB -0.776 18.368 19.000 0.240 0.000 0.799 275 A HN 0.535 nan 8.150 nan 0.000 0.466 276 D N -0.849 119.536 120.400 -0.024 0.000 2.344 276 D HA 0.321 4.961 4.640 0.001 0.000 0.242 276 D C 1.272 177.521 176.300 -0.084 0.000 1.159 276 D CA 0.952 54.937 54.000 -0.025 0.000 0.859 276 D CB -0.429 40.382 40.800 0.017 0.000 0.925 276 D HN 0.572 nan 8.370 nan 0.000 0.510 277 G N 0.103 108.835 108.800 -0.113 0.000 2.147 277 G HA2 -0.121 3.839 3.960 0.001 0.000 0.244 277 G HA3 -0.121 3.839 3.960 0.001 0.000 0.244 277 G C 0.886 175.647 174.900 -0.231 0.000 1.005 277 G CA 0.334 45.364 45.100 -0.117 0.000 0.713 277 G HN 0.802 nan 8.290 nan 0.000 0.515 278 G N -1.761 106.726 108.800 -0.521 0.000 2.682 278 G HA2 -0.156 3.805 3.960 0.001 0.000 0.256 278 G HA3 -0.156 3.805 3.960 0.001 0.000 0.256 278 G C 1.581 176.233 174.900 -0.413 0.000 1.333 278 G CA 0.979 45.511 45.100 -0.946 0.000 0.904 278 G HN 1.676 nan 8.290 nan 0.000 0.569 279 C N 0.298 119.648 119.300 0.083 0.000 2.429 279 C HA -0.062 4.398 4.460 0.001 0.000 0.277 279 C C 3.535 178.633 174.990 0.179 0.000 1.262 279 C CA 3.074 62.346 59.018 0.422 0.000 1.733 279 C CB -1.847 26.158 27.740 0.442 0.000 2.010 279 C HN 1.758 nan 8.230 nan 0.000 0.483 280 S N 0.449 116.197 115.700 0.079 0.000 2.408 280 S HA -0.178 4.293 4.470 0.001 0.000 0.241 280 S C 1.406 176.031 174.600 0.041 0.000 1.080 280 S CA 1.899 60.123 58.200 0.041 0.000 1.109 280 S CB -1.265 61.938 63.200 0.005 0.000 0.966 280 S HN 0.891 nan 8.310 nan 0.000 0.449 281 G N 1.044 109.865 108.800 0.035 0.000 3.636 281 G HA2 0.556 4.516 3.960 0.001 0.000 0.260 281 G HA3 0.556 4.516 3.960 0.001 0.000 0.260 281 G C 0.023 174.966 174.900 0.072 0.000 1.014 281 G CA -0.102 45.019 45.100 0.035 0.000 1.797 281 G HN 0.940 nan 8.290 nan 0.000 0.637 282 G N -1.098 107.750 108.800 0.080 0.000 2.616 282 G HA2 0.653 4.614 3.960 0.001 0.000 0.294 282 G HA3 0.653 4.614 3.960 0.001 0.000 0.294 282 G C -1.212 173.712 174.900 0.041 0.000 1.489 282 G CA 0.077 45.226 45.100 0.081 0.000 0.836 282 G HN 0.990 nan 8.290 nan 0.000 0.527 283 A N 0.924 123.692 122.820 -0.087 0.000 2.943 283 A HA 0.714 5.035 4.320 0.001 0.000 0.327 283 A C -1.490 176.001 177.584 -0.156 0.000 1.141 283 A CA -0.450 51.546 52.037 -0.068 0.000 0.773 283 A CB 0.202 19.158 19.000 -0.072 0.000 1.143 283 A HN 0.614 nan 8.150 nan 0.000 0.463 284 Y N 0.518 120.831 120.300 0.021 0.000 2.409 284 Y HA 0.365 4.915 4.550 0.001 0.000 0.339 284 Y C 0.712 176.610 175.900 -0.003 0.000 1.033 284 Y CA -0.478 57.622 58.100 -0.001 0.000 1.094 284 Y CB 1.835 40.281 38.460 -0.024 0.000 1.210 284 Y HN 0.620 nan 8.280 nan 0.000 0.456 285 D N 1.835 122.330 120.400 0.158 0.000 2.137 285 D HA 0.065 4.705 4.640 0.001 0.000 0.202 285 D C -0.080 176.211 176.300 -0.016 0.000 0.970 285 D CA 1.611 55.665 54.000 0.089 0.000 0.837 285 D CB 0.398 41.283 40.800 0.141 0.000 0.981 285 D HN 0.363 nan 8.370 nan 0.000 0.475 286 I N 1.237 121.761 120.570 -0.076 0.000 2.468 286 I HA 0.262 4.432 4.170 0.001 0.000 0.284 286 I C -0.793 175.195 176.117 -0.215 0.000 1.038 286 I CA -0.456 60.695 61.300 -0.249 0.000 1.083 286 I CB 2.255 39.926 38.000 -0.547 0.000 1.223 286 I HN -0.296 nan 8.210 nan 0.000 0.443 287 I N 7.098 127.551 120.570 -0.196 0.000 2.307 287 I HA 0.390 4.560 4.170 0.001 0.000 0.289 287 I C -0.215 175.772 176.117 -0.218 0.000 1.021 287 I CA -0.306 60.851 61.300 -0.238 0.000 1.224 287 I CB 0.866 38.746 38.000 -0.200 0.000 1.376 287 I HN 0.393 nan 8.210 nan 0.000 0.470 288 I N 5.781 126.212 120.570 -0.233 0.000 2.321 288 I HA 0.204 4.375 4.170 0.001 0.000 0.291 288 I C -0.212 175.806 176.117 -0.165 0.000 0.998 288 I CA -0.282 60.914 61.300 -0.173 0.000 1.227 288 I CB 1.297 39.207 38.000 -0.149 0.000 1.368 288 I HN 0.610 nan 8.210 nan 0.000 0.466 289 C N 5.319 124.569 119.300 -0.084 0.000 2.138 289 C HA 0.180 4.640 4.460 0.001 0.000 0.398 289 C C 0.665 175.698 174.990 0.073 0.000 1.029 289 C CA -0.656 58.395 59.018 0.055 0.000 1.426 289 C CB -1.589 26.224 27.740 0.122 0.000 1.652 289 C HN 0.636 nan 8.230 nan 0.000 0.486 290 D N 1.751 122.145 120.400 -0.011 0.000 2.346 290 D HA -0.020 4.620 4.640 0.001 0.000 0.236 290 D C 0.566 176.916 176.300 0.084 0.000 1.259 290 D CA 0.821 54.834 54.000 0.022 0.000 0.898 290 D CB 0.597 41.407 40.800 0.017 0.000 1.178 290 D HN 0.549 nan 8.370 nan 0.000 0.457 291 E N 0.468 120.712 120.200 0.072 0.000 2.216 291 E HA -0.208 4.143 4.350 0.001 0.000 0.162 291 E C 0.500 177.038 176.600 -0.104 0.000 1.642 291 E CA 0.566 56.950 56.400 -0.026 0.000 0.599 291 E CB -1.708 27.966 29.700 -0.044 0.000 1.045 291 E HN 0.521 nan 8.360 nan 0.000 0.308 292 C N -0.311 118.969 119.300 -0.033 0.000 2.668 292 C HA 0.340 4.801 4.460 0.001 0.000 0.301 292 C C 1.379 176.371 174.990 0.004 0.000 1.351 292 C CA 0.010 59.018 59.018 -0.017 0.000 1.757 292 C CB -1.250 26.506 27.740 0.027 0.000 2.179 292 C HN 0.692 nan 8.230 nan 0.000 0.586 293 H N -1.880 117.238 119.070 0.079 0.000 2.750 293 H HA 0.361 4.917 4.556 0.001 0.000 0.263 293 H C 0.897 176.265 175.328 0.066 0.000 0.964 293 H CA 0.065 56.160 56.048 0.077 0.000 1.205 293 H CB -0.624 29.173 29.762 0.059 0.000 1.454 293 H HN 0.250 nan 8.280 nan 0.000 0.503 294 S N 1.072 116.550 115.700 -0.370 0.000 2.579 294 S HA 0.224 4.694 4.470 0.001 0.000 0.275 294 S C 0.503 175.054 174.600 -0.081 0.000 1.345 294 S CA 0.376 58.500 58.200 -0.128 0.000 1.031 294 S CB 0.412 63.492 63.200 -0.199 0.000 0.892 294 S HN 0.720 nan 8.310 nan 0.000 0.529 295 T N 0.425 114.936 114.554 -0.071 0.000 3.514 295 T HA 0.363 4.713 4.350 0.001 0.000 0.259 295 T C -1.181 173.366 174.700 -0.255 0.000 1.466 295 T CA -0.971 61.015 62.100 -0.191 0.000 1.562 295 T CB -0.309 68.530 68.868 -0.048 0.000 0.924 295 T HN 0.535 nan 8.240 nan 0.000 0.678 296 D N 0.590 120.832 120.400 -0.263 0.000 2.350 296 D HA 0.298 4.938 4.640 0.001 0.000 0.245 296 D C 1.407 177.526 176.300 -0.301 0.000 1.036 296 D CA -0.371 53.486 54.000 -0.239 0.000 0.848 296 D CB 1.830 42.531 40.800 -0.165 0.000 1.307 296 D HN 0.263 nan 8.370 nan 0.000 0.469 297 S N 2.371 117.900 115.700 -0.286 0.000 2.457 297 S HA -0.385 4.085 4.470 0.001 0.000 0.269 297 S C 1.590 176.019 174.600 -0.285 0.000 1.139 297 S CA 2.399 60.428 58.200 -0.287 0.000 1.176 297 S CB -1.517 61.555 63.200 -0.213 0.000 1.088 297 S HN 0.648 nan 8.310 nan 0.000 0.443 298 T N 1.109 115.533 114.554 -0.216 0.000 2.639 298 T HA -0.071 4.279 4.350 0.001 0.000 0.261 298 T C 2.069 176.591 174.700 -0.297 0.000 1.053 298 T CA 1.847 63.827 62.100 -0.201 0.000 1.158 298 T CB -1.265 67.557 68.868 -0.078 0.000 0.863 298 T HN 0.674 nan 8.240 nan 0.000 0.413 299 T N 1.176 115.561 114.554 -0.282 0.000 2.848 299 T HA -0.086 4.264 4.350 0.001 0.000 0.269 299 T C 1.750 176.051 174.700 -0.665 0.000 1.081 299 T CA 0.923 62.734 62.100 -0.482 0.000 1.125 299 T CB -0.637 68.066 68.868 -0.276 0.000 0.848 299 T HN 0.299 nan 8.240 nan 0.000 0.503 300 I N -0.461 119.760 120.570 -0.581 0.000 2.368 300 I HA 0.042 4.212 4.170 0.001 0.000 0.238 300 I C 2.338 178.052 176.117 -0.672 0.000 1.076 300 I CA 0.597 61.443 61.300 -0.756 0.000 1.397 300 I CB -0.250 37.241 38.000 -0.847 0.000 1.141 300 I HN 0.168 nan 8.210 nan 0.000 0.430 301 L N 0.840 121.748 121.223 -0.525 0.000 2.089 301 L HA -0.232 4.109 4.340 0.001 0.000 0.213 301 L C 2.565 179.239 176.870 -0.327 0.000 1.079 301 L CA 1.695 56.287 54.840 -0.413 0.000 0.758 301 L CB -1.031 40.787 42.059 -0.402 0.000 0.891 301 L HN 0.392 nan 8.230 nan 0.000 0.433 302 G N 0.124 108.708 108.800 -0.360 0.000 2.446 302 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 302 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 302 G C 1.518 176.320 174.900 -0.164 0.000 1.168 302 G CA 1.023 46.010 45.100 -0.189 0.000 0.771 302 G HN 0.358 nan 8.290 nan 0.000 0.551 303 I N 1.081 121.427 120.570 -0.372 0.000 2.286 303 I HA 0.018 4.189 4.170 0.001 0.000 0.245 303 I C 3.096 179.198 176.117 -0.024 0.000 1.104 303 I CA 0.750 61.958 61.300 -0.153 0.000 1.397 303 I CB -0.517 37.444 38.000 -0.066 0.000 1.072 303 I HN 0.230 nan 8.210 nan 0.000 0.417 304 G N 0.818 109.547 108.800 -0.117 0.000 2.491 304 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 304 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 304 G C 1.641 176.542 174.900 0.001 0.000 1.180 304 G CA 1.670 46.746 45.100 -0.040 0.000 0.774 304 G HN 0.287 nan 8.290 nan 0.000 0.562 305 T N 0.391 114.939 114.554 -0.011 0.000 2.607 305 T HA -0.189 4.162 4.350 0.001 0.000 0.267 305 T C 2.332 177.115 174.700 0.138 0.000 1.049 305 T CA 1.559 63.692 62.100 0.055 0.000 1.162 305 T CB -0.728 68.186 68.868 0.077 0.000 0.863 305 T HN 0.076 nan 8.240 nan 0.000 0.424 306 V N 0.978 121.015 119.914 0.205 0.000 2.407 306 V HA -0.021 4.099 4.120 0.001 0.000 0.248 306 V C 2.205 178.360 176.094 0.101 0.000 1.055 306 V CA 1.438 63.833 62.300 0.158 0.000 1.049 306 V CB -0.500 31.334 31.823 0.018 0.000 0.662 306 V HN 0.486 nan 8.190 nan 0.000 0.455 307 L N -0.048 121.228 121.223 0.088 0.000 2.465 307 L HA -0.053 4.288 4.340 0.001 0.000 0.224 307 L C 1.968 178.885 176.870 0.078 0.000 1.145 307 L CA 1.705 56.605 54.840 0.099 0.000 0.834 307 L CB -0.172 41.952 42.059 0.109 0.000 0.944 307 L HN 0.505 nan 8.230 nan 0.000 0.451 308 D N -1.565 118.870 120.400 0.058 0.000 2.379 308 D HA -0.096 4.545 4.640 0.001 0.000 0.218 308 D C 2.018 178.319 176.300 0.002 0.000 1.006 308 D CA 0.644 54.660 54.000 0.027 0.000 0.893 308 D CB 0.406 41.222 40.800 0.026 0.000 1.019 308 D HN 0.217 nan 8.370 nan 0.000 0.503 309 Q N 0.056 119.875 119.800 0.031 0.000 2.304 309 Q HA 0.259 4.600 4.340 0.001 0.000 0.204 309 Q C 2.267 178.274 176.000 0.011 0.000 0.936 309 Q CA 0.570 56.388 55.803 0.025 0.000 0.878 309 Q CB 0.011 28.791 28.738 0.070 0.000 0.983 309 Q HN 0.215 nan 8.270 nan 0.000 0.516 310 A N 2.425 125.277 122.820 0.054 0.000 1.900 310 A HA -0.409 3.912 4.320 0.001 0.000 0.225 310 A C 1.992 179.567 177.584 -0.015 0.000 1.414 310 A CA 2.386 54.470 52.037 0.077 0.000 0.702 310 A CB -1.012 18.088 19.000 0.167 0.000 0.845 310 A HN 0.524 nan 8.150 nan 0.000 0.478 311 E N -1.115 118.915 120.200 -0.284 0.000 2.021 311 E HA -0.233 4.117 4.350 0.001 0.000 0.200 311 E C 2.090 178.547 176.600 -0.238 0.000 1.015 311 E CA 2.454 58.511 56.400 -0.572 0.000 0.824 311 E CB -0.356 28.696 29.700 -1.081 0.000 0.762 311 E HN 0.773 nan 8.360 nan 0.000 0.454 312 T N -1.922 112.520 114.554 -0.187 0.000 3.052 312 T HA 0.007 4.358 4.350 0.001 0.000 0.270 312 T C 1.363 176.038 174.700 -0.042 0.000 1.147 312 T CA 0.990 63.032 62.100 -0.097 0.000 1.089 312 T CB -0.037 68.787 68.868 -0.074 0.000 0.875 312 T HN 0.245 nan 8.240 nan 0.000 0.541 313 A N -0.092 122.716 122.820 -0.021 0.000 2.348 313 A HA 0.691 5.012 4.320 0.001 0.000 0.224 313 A C 1.886 179.488 177.584 0.029 0.000 1.227 313 A CA 0.401 52.450 52.037 0.020 0.000 0.885 313 A CB -0.360 18.675 19.000 0.059 0.000 0.933 313 A HN 1.279 nan 8.150 nan 0.000 0.506 314 G N -1.721 107.093 108.800 0.023 0.000 2.184 314 G HA2 0.163 4.123 3.960 0.001 0.000 0.206 314 G HA3 0.163 4.123 3.960 0.001 0.000 0.206 314 G C 0.505 175.453 174.900 0.079 0.000 0.995 314 G CA 0.068 45.192 45.100 0.041 0.000 0.651 314 G HN 1.506 nan 8.290 nan 0.000 0.511 315 A N -0.183 122.702 122.820 0.108 0.000 2.520 315 A HA 0.668 4.989 4.320 0.001 0.000 0.235 315 A C 1.274 178.987 177.584 0.214 0.000 1.065 315 A CA 1.589 53.722 52.037 0.161 0.000 0.764 315 A CB 0.396 19.523 19.000 0.212 0.000 1.002 315 A HN 0.747 nan 8.150 nan 0.000 0.502 316 R N -0.129 120.439 120.500 0.114 0.000 2.250 316 R HA 0.427 4.768 4.340 0.001 0.000 0.194 316 R C -0.392 175.843 176.300 -0.109 0.000 0.927 316 R CA 0.671 56.801 56.100 0.050 0.000 1.052 316 R CB 0.025 30.322 30.300 -0.005 0.000 1.055 316 R HN 0.682 nan 8.270 nan 0.000 0.537 317 L N -0.518 120.598 121.223 -0.179 0.000 2.556 317 L HA 0.522 4.863 4.340 0.001 0.000 0.257 317 L C -1.896 174.812 176.870 -0.271 0.000 0.955 317 L CA -0.819 53.810 54.840 -0.351 0.000 0.850 317 L CB 2.445 44.266 42.059 -0.396 0.000 1.398 317 L HN -0.216 nan 8.230 nan 0.000 0.412 318 V N 4.438 124.166 119.914 -0.310 0.000 2.483 318 V HA 0.626 4.746 4.120 0.001 0.000 0.297 318 V C -0.900 175.068 176.094 -0.209 0.000 1.027 318 V CA -0.615 61.574 62.300 -0.185 0.000 0.855 318 V CB 1.996 33.772 31.823 -0.077 0.000 0.995 318 V HN 0.499 nan 8.190 nan 0.000 0.424 319 V N 6.438 126.243 119.914 -0.182 0.000 2.350 319 V HA 0.413 4.533 4.120 0.001 0.000 0.285 319 V C -0.102 175.885 176.094 -0.179 0.000 1.014 319 V CA -0.482 61.713 62.300 -0.175 0.000 0.831 319 V CB 1.653 33.406 31.823 -0.118 0.000 1.000 319 V HN 0.632 nan 8.190 nan 0.000 0.433 320 L N 5.116 126.174 121.223 -0.274 0.000 2.312 320 L HA 0.614 4.954 4.340 0.001 0.000 0.287 320 L C 0.719 177.473 176.870 -0.194 0.000 1.091 320 L CA 0.029 54.711 54.840 -0.264 0.000 0.846 320 L CB 0.736 42.518 42.059 -0.461 0.000 1.219 320 L HN 0.716 nan 8.230 nan 0.000 0.439 321 A N 3.117 125.891 122.820 -0.077 0.000 2.264 321 A HA 0.841 5.161 4.320 0.001 0.000 0.304 321 A C 0.138 177.777 177.584 0.091 0.000 1.100 321 A CA -0.184 51.847 52.037 -0.010 0.000 0.839 321 A CB 1.766 20.759 19.000 -0.012 0.000 1.121 321 A HN 0.650 nan 8.150 nan 0.000 0.496 322 T N -1.923 112.726 114.554 0.158 0.000 2.631 322 T HA 0.478 4.828 4.350 0.001 0.000 0.294 322 T C -0.972 173.850 174.700 0.202 0.000 1.881 322 T CA 0.570 62.813 62.100 0.239 0.000 0.964 322 T CB 0.009 69.066 68.868 0.314 0.000 1.962 322 T HN 2.129 nan 8.240 nan 0.000 0.496 323 A N 0.986 123.874 122.820 0.114 0.000 2.515 323 A HA 0.575 4.896 4.320 0.001 0.000 0.253 323 A C 0.335 177.867 177.584 -0.088 0.000 0.863 323 A CA 0.789 52.838 52.037 0.020 0.000 1.124 323 A CB -0.109 18.897 19.000 0.010 0.000 1.214 323 A HN 1.601 nan 8.150 nan 0.000 0.470 324 T N -1.546 112.935 114.554 -0.122 0.000 4.519 324 T HA 0.273 4.623 4.350 0.001 0.000 0.261 324 T C -2.590 172.025 174.700 -0.142 0.000 0.931 324 T CA -0.593 61.389 62.100 -0.198 0.000 1.158 324 T CB 0.166 68.831 68.868 -0.338 0.000 0.926 324 T HN 0.196 nan 8.240 nan 0.000 0.504 325 P HA 0.215 nan 4.420 nan 0.000 0.273 325 P C -2.617 174.656 177.300 -0.045 0.000 1.252 325 P CA -0.620 62.459 63.100 -0.035 0.000 0.809 325 P CB -0.593 31.011 31.700 -0.159 0.000 1.017 326 P HA 0.033 nan 4.420 nan 0.000 0.267 326 P C 0.336 177.606 177.300 -0.050 0.000 1.201 326 P CA 1.301 64.394 63.100 -0.012 0.000 0.775 326 P CB -0.305 31.395 31.700 0.000 0.000 0.854 327 G N 0.567 109.338 108.800 -0.048 0.000 2.354 327 G HA2 -0.083 3.878 3.960 0.001 0.000 0.278 327 G HA3 -0.083 3.878 3.960 0.001 0.000 0.278 327 G C -0.074 174.779 174.900 -0.078 0.000 0.953 327 G CA 0.212 45.277 45.100 -0.059 0.000 1.346 327 G HN 0.633 nan 8.290 nan 0.000 0.467 328 S N -0.884 114.767 115.700 -0.082 0.000 2.533 328 S HA 0.792 5.262 4.470 0.001 0.000 0.271 328 S C -0.047 174.496 174.600 -0.094 0.000 1.143 328 S CA 0.013 58.153 58.200 -0.100 0.000 0.891 328 S CB 2.087 65.212 63.200 -0.126 0.000 1.105 328 S HN 1.710 nan 8.310 nan 0.000 0.468 329 V N 0.831 120.688 119.914 -0.094 0.000 3.074 329 V HA 0.753 4.873 4.120 0.001 0.000 0.314 329 V C 0.218 176.249 176.094 -0.105 0.000 1.117 329 V CA -1.061 61.183 62.300 -0.093 0.000 1.014 329 V CB 1.080 32.856 31.823 -0.079 0.000 1.057 329 V HN 0.953 nan 8.190 nan 0.000 0.438 330 T N 0.128 114.613 114.554 -0.115 0.000 2.758 330 T HA 0.301 4.651 4.350 0.001 0.000 0.281 330 T C -0.013 174.622 174.700 -0.109 0.000 0.963 330 T CA -0.136 61.887 62.100 -0.128 0.000 1.201 330 T CB -0.212 68.561 68.868 -0.158 0.000 0.906 330 T HN 0.751 nan 8.240 nan 0.000 0.528 331 V N 6.875 126.726 119.914 -0.104 0.000 2.432 331 V HA 0.251 4.372 4.120 0.001 0.000 0.271 331 V C -1.611 174.438 176.094 -0.075 0.000 1.046 331 V CA -1.787 60.463 62.300 -0.085 0.000 0.945 331 V CB 0.480 32.251 31.823 -0.087 0.000 0.992 331 V HN 0.824 nan 8.190 nan 0.000 0.471 332 P HA -0.076 nan 4.420 nan 0.000 0.264 332 P C -0.365 176.946 177.300 0.018 0.000 1.173 332 P CA 0.322 63.416 63.100 -0.009 0.000 0.761 332 P CB 0.136 31.839 31.700 0.005 0.000 0.794 333 H N 4.559 123.606 119.070 -0.038 0.000 2.620 333 H HA 0.156 4.712 4.556 0.001 0.000 0.313 333 H C -1.484 173.843 175.328 -0.002 0.000 1.075 333 H CA -2.115 53.918 56.048 -0.024 0.000 1.397 333 H CB 0.686 30.433 29.762 -0.025 0.000 1.446 333 H HN 0.274 nan 8.280 nan 0.000 0.493 334 P HA -0.210 nan 4.420 nan 0.000 0.216 334 P C 0.026 177.438 177.300 0.187 0.000 1.167 334 P CA 1.707 64.932 63.100 0.208 0.000 0.933 334 P CB 0.291 32.093 31.700 0.170 0.000 0.793 335 N N -0.237 118.587 118.700 0.206 0.000 2.839 335 N HA 0.223 4.963 4.740 0.001 0.000 0.314 335 N C -0.335 175.117 175.510 -0.098 0.000 1.449 335 N CA 0.170 53.235 53.050 0.026 0.000 1.050 335 N CB 0.310 38.802 38.487 0.009 0.000 1.364 335 N HN 0.258 nan 8.380 nan 0.000 0.512 336 I N 0.417 120.966 120.570 -0.036 0.000 2.560 336 I HA 0.132 4.302 4.170 0.001 0.000 0.283 336 I C -0.516 175.642 176.117 0.068 0.000 1.115 336 I CA -0.464 60.817 61.300 -0.032 0.000 1.066 336 I CB 1.914 39.843 38.000 -0.119 0.000 1.221 336 I HN -0.072 nan 8.210 nan 0.000 0.450 337 E N 5.646 125.897 120.200 0.085 0.000 2.290 337 E HA 0.180 4.531 4.350 0.001 0.000 0.277 337 E C -0.581 176.125 176.600 0.177 0.000 1.035 337 E CA -0.132 56.336 56.400 0.112 0.000 0.873 337 E CB 1.004 30.757 29.700 0.089 0.000 1.029 337 E HN 0.434 nan 8.360 nan 0.000 0.419 338 E N 3.250 123.580 120.200 0.216 0.000 2.081 338 E HA 0.304 4.654 4.350 0.001 0.000 0.276 338 E C -0.551 176.280 176.600 0.385 0.000 0.950 338 E CA -0.276 56.340 56.400 0.360 0.000 0.776 338 E CB 1.396 31.292 29.700 0.327 0.000 1.094 338 E HN 0.395 nan 8.360 nan 0.000 0.402 339 I N 1.786 122.533 120.570 0.295 0.000 2.603 339 I HA 0.482 4.652 4.170 0.001 0.000 0.300 339 I C 0.303 176.238 176.117 -0.303 0.000 1.017 339 I CA -0.512 60.829 61.300 0.069 0.000 1.098 339 I CB 1.448 39.443 38.000 -0.008 0.000 1.279 339 I HN 0.553 nan 8.210 nan 0.000 0.437 340 G N 6.084 114.546 108.800 -0.562 0.000 2.537 340 G HA2 0.543 4.503 3.960 0.001 0.000 0.297 340 G HA3 0.543 4.503 3.960 0.001 0.000 0.297 340 G C -1.089 173.511 174.900 -0.502 0.000 1.310 340 G CA -0.704 43.769 45.100 -1.045 0.000 1.027 340 G HN 0.540 nan 8.290 nan 0.000 0.505 341 L N 0.261 121.247 121.223 -0.394 0.000 2.334 341 L HA 0.444 4.784 4.340 0.001 0.000 0.276 341 L C 0.801 177.605 176.870 -0.109 0.000 1.014 341 L CA -0.659 54.075 54.840 -0.177 0.000 0.815 341 L CB 2.229 44.249 42.059 -0.066 0.000 1.268 341 L HN 0.791 nan 8.230 nan 0.000 0.428 342 S N 0.996 116.654 115.700 -0.070 0.000 3.339 342 S HA 0.247 4.717 4.470 0.001 0.000 0.221 342 S C 0.453 175.042 174.600 -0.018 0.000 1.059 342 S CA 0.001 58.175 58.200 -0.044 0.000 1.365 342 S CB 0.573 63.747 63.200 -0.044 0.000 1.065 342 S HN 0.798 nan 8.310 nan 0.000 0.618 343 N N -0.687 118.004 118.700 -0.015 0.000 2.159 343 N HA 0.132 4.872 4.740 0.001 0.000 0.217 343 N C -0.975 174.529 175.510 -0.009 0.000 1.223 343 N CA -0.535 52.511 53.050 -0.005 0.000 0.896 343 N CB -0.232 38.253 38.487 -0.004 0.000 1.064 343 N HN 0.522 nan 8.380 nan 0.000 0.518 344 N N 0.754 119.444 118.700 -0.017 0.000 2.671 344 N HA 0.277 5.017 4.740 0.001 0.000 0.274 344 N C -0.741 174.756 175.510 -0.022 0.000 1.188 344 N CA -0.409 52.630 53.050 -0.019 0.000 1.065 344 N CB 0.941 39.414 38.487 -0.023 0.000 1.415 344 N HN 0.298 nan 8.380 nan 0.000 0.511 345 G N 1.066 109.856 108.800 -0.016 0.000 2.752 345 G HA2 0.052 4.012 3.960 0.001 0.000 0.298 345 G HA3 0.052 4.012 3.960 0.001 0.000 0.298 345 G C 0.359 175.252 174.900 -0.012 0.000 1.434 345 G CA -0.640 44.449 45.100 -0.019 0.000 1.004 345 G HN 0.324 nan 8.290 nan 0.000 0.560 346 E N 1.254 121.445 120.200 -0.016 0.000 2.285 346 E HA -0.036 4.314 4.350 0.001 0.000 0.194 346 E C 1.215 177.811 176.600 -0.007 0.000 0.997 346 E CA 0.438 56.832 56.400 -0.010 0.000 0.845 346 E CB 0.141 29.834 29.700 -0.012 0.000 0.782 346 E HN 0.706 nan 8.360 nan 0.000 0.491 347 I N -0.597 119.967 120.570 -0.010 0.000 2.377 347 I HA 0.467 4.638 4.170 0.001 0.000 0.293 347 I C -2.643 173.488 176.117 0.025 0.000 0.987 347 I CA -2.886 58.413 61.300 -0.002 0.000 1.185 347 I CB 1.481 39.469 38.000 -0.019 0.000 1.341 347 I HN -0.363 nan 8.210 nan 0.000 0.455 348 P HA 0.236 nan 4.420 nan 0.000 0.274 348 P C -0.920 176.474 177.300 0.158 0.000 1.264 348 P CA 0.069 63.198 63.100 0.049 0.000 0.795 348 P CB 0.229 31.928 31.700 -0.003 0.000 1.064 349 F N -0.103 119.775 119.950 -0.120 0.000 3.816 349 F HA 0.120 4.647 4.527 0.001 0.000 0.412 349 F C -1.130 174.651 175.800 -0.032 0.000 0.856 349 F CA -0.203 57.714 58.000 -0.138 0.000 1.692 349 F CB -1.012 37.989 39.000 0.002 0.000 2.334 349 F HN 0.285 nan 8.300 nan 0.000 0.848 350 Y N 2.913 123.016 120.300 -0.328 0.000 3.305 350 Y HA -0.118 4.432 4.550 0.001 0.000 0.212 350 Y C 1.523 177.318 175.900 -0.176 0.000 1.248 350 Y CA 1.625 59.530 58.100 -0.326 0.000 1.359 350 Y CB -1.327 36.812 38.460 -0.536 0.000 1.407 350 Y HN 1.335 nan 8.280 nan 0.000 0.572 351 G N -1.948 106.837 108.800 -0.025 0.000 2.284 351 G HA2 -0.300 3.660 3.960 0.001 0.000 0.230 351 G HA3 -0.300 3.660 3.960 0.001 0.000 0.230 351 G C 0.314 175.230 174.900 0.026 0.000 1.021 351 G CA 0.334 45.435 45.100 0.002 0.000 0.619 351 G HN 0.343 nan 8.290 nan 0.000 0.510 352 K N 0.602 121.040 120.400 0.064 0.000 2.280 352 K HA 0.925 5.246 4.320 0.001 0.000 0.234 352 K C 0.164 176.852 176.600 0.146 0.000 1.028 352 K CA 0.271 56.612 56.287 0.091 0.000 0.882 352 K CB 1.757 34.318 32.500 0.102 0.000 1.194 352 K HN 0.912 nan 8.250 nan 0.000 0.458 353 A N 0.719 123.599 122.820 0.099 0.000 2.413 353 A HA 0.718 5.038 4.320 0.001 0.000 0.307 353 A C -0.984 176.608 177.584 0.014 0.000 1.087 353 A CA -0.803 51.280 52.037 0.077 0.000 0.750 353 A CB 0.534 19.551 19.000 0.029 0.000 1.296 353 A HN 0.607 nan 8.150 nan 0.000 0.423 354 I N 1.298 121.839 120.570 -0.049 0.000 2.312 354 I HA 0.318 4.488 4.170 0.001 0.000 0.290 354 I C -2.443 173.614 176.117 -0.099 0.000 1.008 354 I CA -2.078 59.141 61.300 -0.134 0.000 1.226 354 I CB 1.564 39.408 38.000 -0.259 0.000 1.371 354 I HN 0.268 nan 8.210 nan 0.000 0.468 355 P HA 0.124 nan 4.420 nan 0.000 0.268 355 P C 0.992 178.246 177.300 -0.076 0.000 1.282 355 P CA -0.042 63.017 63.100 -0.069 0.000 0.880 355 P CB 0.572 32.234 31.700 -0.063 0.000 0.971 356 I N 3.913 124.446 120.570 -0.062 0.000 2.191 356 I HA -0.372 3.798 4.170 0.001 0.000 0.248 356 I C 2.124 178.212 176.117 -0.047 0.000 1.061 356 I CA 1.955 63.223 61.300 -0.054 0.000 1.329 356 I CB -0.105 37.876 38.000 -0.031 0.000 1.024 356 I HN 0.319 nan 8.210 nan 0.000 0.423 357 E N 0.693 120.870 120.200 -0.038 0.000 2.219 357 E HA -0.229 4.121 4.350 0.001 0.000 0.198 357 E C 1.851 178.432 176.600 -0.033 0.000 0.998 357 E CA 1.570 57.954 56.400 -0.026 0.000 0.818 357 E CB -0.322 29.365 29.700 -0.022 0.000 0.741 357 E HN 0.598 nan 8.360 nan 0.000 0.477 358 A N 0.391 123.167 122.820 -0.072 0.000 2.238 358 A HA 0.162 4.482 4.320 0.001 0.000 0.208 358 A C 1.344 178.800 177.584 -0.213 0.000 1.177 358 A CA 0.656 52.627 52.037 -0.110 0.000 0.804 358 A CB -0.438 18.479 19.000 -0.139 0.000 0.823 358 A HN 0.458 nan 8.150 nan 0.000 0.482 359 I N -4.810 115.663 120.570 -0.161 0.000 2.860 359 I HA 0.499 4.670 4.170 0.001 0.000 0.331 359 I C 0.283 176.452 176.117 0.087 0.000 1.447 359 I CA -0.353 60.844 61.300 -0.172 0.000 0.847 359 I CB 0.704 38.549 38.000 -0.259 0.000 1.938 359 I HN -0.070 nan 8.210 nan 0.000 0.564 360 K N 1.627 122.090 120.400 0.106 0.000 2.360 360 K HA 0.504 4.824 4.320 0.001 0.000 0.196 360 K C 0.547 177.198 176.600 0.086 0.000 1.049 360 K CA 0.415 56.748 56.287 0.078 0.000 1.049 360 K CB 0.918 33.441 32.500 0.038 0.000 0.881 360 K HN 0.571 nan 8.250 nan 0.000 0.542 361 G N -0.397 108.480 108.800 0.128 0.000 2.723 361 G HA2 0.574 4.535 3.960 0.001 0.000 0.295 361 G HA3 0.574 4.535 3.960 0.001 0.000 0.295 361 G C -0.410 174.469 174.900 -0.036 0.000 1.464 361 G CA -0.283 44.847 45.100 0.050 0.000 1.012 361 G HN 0.403 nan 8.290 nan 0.000 0.522 362 G N 1.225 109.952 108.800 -0.120 0.000 2.466 362 G HA2 -0.008 3.953 3.960 0.001 0.000 0.316 362 G HA3 -0.008 3.953 3.960 0.001 0.000 0.316 362 G C -0.673 174.030 174.900 -0.328 0.000 1.270 362 G CA -1.064 43.888 45.100 -0.247 0.000 0.982 362 G HN 0.817 nan 8.290 nan 0.000 0.506 363 R N 0.891 121.173 120.500 -0.363 0.000 2.239 363 R HA 0.492 4.832 4.340 0.001 0.000 0.332 363 R C -0.649 175.603 176.300 -0.080 0.000 0.988 363 R CA -0.709 55.235 56.100 -0.259 0.000 0.859 363 R CB 0.808 30.852 30.300 -0.427 0.000 1.148 363 R HN 0.520 nan 8.270 nan 0.000 0.482 364 H N 2.504 121.729 119.070 0.259 0.000 2.492 364 H HA 0.290 4.846 4.556 0.001 0.000 0.345 364 H C -0.799 174.692 175.328 0.272 0.000 1.136 364 H CA -0.941 55.274 56.048 0.278 0.000 1.202 364 H CB 2.237 32.062 29.762 0.105 0.000 1.524 364 H HN 0.212 nan 8.280 nan 0.000 0.506 365 L N 4.177 125.505 121.223 0.176 0.000 2.325 365 L HA 0.441 4.782 4.340 0.001 0.000 0.281 365 L C -0.900 175.870 176.870 -0.166 0.000 1.004 365 L CA -0.282 54.417 54.840 -0.235 0.000 0.823 365 L CB 0.541 42.055 42.059 -0.907 0.000 1.236 365 L HN 0.494 nan 8.230 nan 0.000 0.415 366 I N 4.182 124.650 120.570 -0.170 0.000 2.664 366 I HA 0.395 4.565 4.170 0.001 0.000 0.308 366 I C -1.009 175.025 176.117 -0.138 0.000 0.984 366 I CA -0.382 60.883 61.300 -0.060 0.000 1.213 366 I CB 1.411 39.403 38.000 -0.014 0.000 1.379 366 I HN 0.488 nan 8.210 nan 0.000 0.501 367 F N 3.167 123.236 119.950 0.198 0.000 2.553 367 F HA 0.388 4.916 4.527 0.001 0.000 0.335 367 F C -0.498 175.455 175.800 0.255 0.000 1.148 367 F CA -0.441 57.668 58.000 0.182 0.000 0.963 367 F CB 1.429 40.509 39.000 0.134 0.000 1.217 367 F HN 0.274 nan 8.300 nan 0.000 0.441 368 C N 3.713 123.258 119.300 0.409 0.000 2.456 368 C HA 0.275 4.735 4.460 0.001 0.000 0.325 368 C C 1.745 176.930 174.990 0.325 0.000 1.217 368 C CA -0.603 58.671 59.018 0.428 0.000 1.687 368 C CB 1.019 29.028 27.740 0.448 0.000 2.270 368 C HN 0.961 nan 8.230 nan 0.000 0.499 369 H N 1.481 120.615 119.070 0.106 0.000 2.352 369 H HA -0.067 4.489 4.556 0.001 0.000 0.299 369 H C 0.685 176.043 175.328 0.049 0.000 1.097 369 H CA 1.906 57.981 56.048 0.045 0.000 1.311 369 H CB -0.367 29.395 29.762 0.000 0.000 1.377 369 H HN 0.601 nan 8.280 nan 0.000 0.504 370 S N 0.375 115.759 115.700 -0.526 0.000 2.503 370 S HA 0.365 4.835 4.470 0.001 0.000 0.301 370 S C 1.014 175.451 174.600 -0.271 0.000 1.087 370 S CA -0.526 57.362 58.200 -0.521 0.000 1.042 370 S CB 2.985 65.727 63.200 -0.764 0.000 1.043 370 S HN 0.554 nan 8.310 nan 0.000 0.489 371 K N 1.849 122.035 120.400 -0.355 0.000 2.097 371 K HA -0.120 4.200 4.320 0.001 0.000 0.205 371 K C 1.756 178.098 176.600 -0.431 0.000 1.050 371 K CA 1.274 57.206 56.287 -0.592 0.000 0.938 371 K CB -0.433 31.362 32.500 -1.175 0.000 0.718 371 K HN 0.518 nan 8.250 nan 0.000 0.442 372 K N 1.903 122.116 120.400 -0.312 0.000 2.089 372 K HA -0.179 4.141 4.320 0.001 0.000 0.210 372 K C 2.224 178.765 176.600 -0.098 0.000 1.048 372 K CA 1.644 57.826 56.287 -0.176 0.000 0.926 372 K CB -0.081 32.343 32.500 -0.126 0.000 0.714 372 K HN 0.079 nan 8.250 nan 0.000 0.448 373 K N 0.240 120.595 120.400 -0.075 0.000 2.116 373 K HA -0.022 4.299 4.320 0.001 0.000 0.203 373 K C 2.057 178.680 176.600 0.038 0.000 1.052 373 K CA 1.229 57.528 56.287 0.021 0.000 0.952 373 K CB -0.727 31.854 32.500 0.136 0.000 0.729 373 K HN 0.290 nan 8.250 nan 0.000 0.446 374 C N 1.694 121.003 119.300 0.014 0.000 2.367 374 C HA -0.176 4.284 4.460 0.001 0.000 0.276 374 C C 2.259 177.298 174.990 0.082 0.000 1.195 374 C CA 1.371 60.431 59.018 0.069 0.000 1.756 374 C CB -0.900 26.879 27.740 0.066 0.000 2.046 374 C HN 0.552 nan 8.230 nan 0.000 0.453 375 D N 0.223 120.655 120.400 0.055 0.000 2.160 375 D HA -0.150 4.490 4.640 0.001 0.000 0.189 375 D C 1.940 178.279 176.300 0.065 0.000 1.003 375 D CA 1.574 55.627 54.000 0.087 0.000 0.846 375 D CB -0.558 40.278 40.800 0.060 0.000 0.949 375 D HN 0.650 nan 8.370 nan 0.000 0.446 376 E N -0.027 120.198 120.200 0.041 0.000 1.997 376 E HA -0.182 4.169 4.350 0.001 0.000 0.201 376 E C 2.103 178.729 176.600 0.044 0.000 1.011 376 E CA 0.596 57.017 56.400 0.035 0.000 0.847 376 E CB -0.404 29.309 29.700 0.021 0.000 0.787 376 E HN 0.070 nan 8.360 nan 0.000 0.472 377 L N 0.889 122.142 121.223 0.051 0.000 2.256 377 L HA -0.303 4.038 4.340 0.001 0.000 0.218 377 L C 1.959 178.862 176.870 0.054 0.000 1.089 377 L CA 2.154 57.030 54.840 0.059 0.000 0.777 377 L CB -0.504 41.616 42.059 0.102 0.000 0.890 377 L HN 0.205 nan 8.230 nan 0.000 0.439 378 A N -1.216 121.643 122.820 0.064 0.000 1.878 378 A HA 0.168 4.488 4.320 0.001 0.000 0.213 378 A C 2.427 180.040 177.584 0.048 0.000 1.192 378 A CA 1.286 53.360 52.037 0.062 0.000 0.619 378 A CB -1.033 18.016 19.000 0.082 0.000 0.837 378 A HN 0.548 nan 8.150 nan 0.000 0.446 379 A N 0.375 123.223 122.820 0.047 0.000 1.842 379 A HA -0.246 4.074 4.320 0.001 0.000 0.217 379 A C 2.005 179.606 177.584 0.027 0.000 1.206 379 A CA 2.490 54.549 52.037 0.037 0.000 0.630 379 A CB -0.738 18.283 19.000 0.035 0.000 0.839 379 A HN 0.380 nan 8.150 nan 0.000 0.447 380 K N -0.273 120.142 120.400 0.024 0.000 2.127 380 K HA -0.184 4.136 4.320 0.001 0.000 0.212 380 K C 1.761 178.369 176.600 0.014 0.000 1.050 380 K CA 1.873 58.169 56.287 0.016 0.000 0.929 380 K CB -0.653 31.855 32.500 0.014 0.000 0.715 380 K HN 0.573 nan 8.250 nan 0.000 0.457 381 L N -0.066 121.167 121.223 0.017 0.000 2.109 381 L HA -0.126 4.214 4.340 0.001 0.000 0.207 381 L C 2.335 179.215 176.870 0.018 0.000 1.086 381 L CA 1.614 56.462 54.840 0.014 0.000 0.760 381 L CB -0.922 41.146 42.059 0.015 0.000 0.910 381 L HN 0.387 nan 8.230 nan 0.000 0.437 382 T N -3.324 111.243 114.554 0.023 0.000 3.072 382 T HA -0.036 4.314 4.350 0.001 0.000 0.266 382 T C 1.601 176.311 174.700 0.017 0.000 1.127 382 T CA 0.860 62.973 62.100 0.022 0.000 1.107 382 T CB -0.223 68.661 68.868 0.027 0.000 0.910 382 T HN 0.364 nan 8.240 nan 0.000 0.513 383 G N 0.610 109.419 108.800 0.015 0.000 3.042 383 G HA2 0.326 4.287 3.960 0.001 0.000 0.212 383 G HA3 0.326 4.287 3.960 0.001 0.000 0.212 383 G C 0.939 175.844 174.900 0.009 0.000 1.166 383 G CA -0.268 44.839 45.100 0.012 0.000 0.767 383 G HN 0.554 nan 8.290 nan 0.000 0.546 384 L N 0.808 122.037 121.223 0.009 0.000 3.017 384 L HA 0.297 4.637 4.340 0.001 0.000 0.255 384 L C 1.515 178.389 176.870 0.007 0.000 1.247 384 L CA -0.023 54.821 54.840 0.006 0.000 1.038 384 L CB 0.207 42.268 42.059 0.003 0.000 1.380 384 L HN 0.228 nan 8.230 nan 0.000 0.548 385 G N 1.258 110.064 108.800 0.009 0.000 2.305 385 G HA2 -0.285 3.675 3.960 0.001 0.000 0.287 385 G HA3 -0.285 3.675 3.960 0.001 0.000 0.287 385 G C -0.111 174.796 174.900 0.012 0.000 1.036 385 G CA 0.248 45.353 45.100 0.009 0.000 0.887 385 G HN 0.328 nan 8.290 nan 0.000 0.505 386 L N -0.230 121.002 121.223 0.015 0.000 2.341 386 L HA 0.386 4.726 4.340 0.001 0.000 0.278 386 L C 0.232 177.117 176.870 0.025 0.000 1.005 386 L CA -1.140 53.713 54.840 0.022 0.000 0.818 386 L CB 1.610 43.683 42.059 0.022 0.000 1.259 386 L HN 0.030 nan 8.230 nan 0.000 0.418 387 N N 3.007 121.724 118.700 0.027 0.000 2.498 387 N HA 0.209 4.949 4.740 0.001 0.000 0.277 387 N C -0.487 175.047 175.510 0.039 0.000 1.208 387 N CA -0.013 53.053 53.050 0.026 0.000 1.029 387 N CB 0.698 39.196 38.487 0.017 0.000 1.403 387 N HN 0.642 nan 8.380 nan 0.000 0.500 388 A N 2.211 125.055 122.820 0.040 0.000 2.301 388 A HA 0.580 4.901 4.320 0.001 0.000 0.312 388 A C -0.190 177.428 177.584 0.056 0.000 1.182 388 A CA -0.624 51.445 52.037 0.052 0.000 0.826 388 A CB 0.828 19.857 19.000 0.049 0.000 1.134 388 A HN 0.345 nan 8.150 nan 0.000 0.501 389 V N -0.113 119.844 119.914 0.072 0.000 2.532 389 V HA 0.754 4.875 4.120 0.001 0.000 0.294 389 V C 0.033 176.193 176.094 0.110 0.000 1.036 389 V CA -0.464 61.881 62.300 0.075 0.000 0.876 389 V CB 0.641 32.500 31.823 0.060 0.000 1.012 389 V HN 1.478 nan 8.190 nan 0.000 0.432 390 A N 4.904 127.800 122.820 0.126 0.000 2.354 390 A HA 0.742 5.063 4.320 0.001 0.000 0.281 390 A C -0.934 176.768 177.584 0.197 0.000 1.174 390 A CA -0.256 51.896 52.037 0.191 0.000 0.828 390 A CB 0.338 19.484 19.000 0.243 0.000 1.099 390 A HN 1.385 nan 8.150 nan 0.000 0.516 391 Y N 3.612 123.944 120.300 0.053 0.000 2.425 391 Y HA 0.643 5.194 4.550 0.001 0.000 0.344 391 Y C -0.898 175.024 175.900 0.037 0.000 0.969 391 Y CA -1.641 56.403 58.100 -0.094 0.000 1.052 391 Y CB 1.349 39.771 38.460 -0.063 0.000 1.215 391 Y HN 0.835 nan 8.280 nan 0.000 0.451 392 Y N 1.752 121.641 120.300 -0.685 0.000 2.895 392 Y HA 0.450 5.000 4.550 0.001 0.000 0.339 392 Y C -0.959 174.656 175.900 -0.474 0.000 1.363 392 Y CA -1.922 55.805 58.100 -0.622 0.000 1.085 392 Y CB 0.492 38.805 38.460 -0.245 0.000 1.500 392 Y HN 0.667 nan 8.280 nan 0.000 0.442 393 R N 1.219 121.685 120.500 -0.058 0.000 2.504 393 R HA 0.366 4.706 4.340 0.001 0.000 0.291 393 R C 0.916 177.236 176.300 0.032 0.000 0.974 393 R CA 2.087 58.175 56.100 -0.021 0.000 1.077 393 R CB -0.460 29.855 30.300 0.024 0.000 0.926 393 R HN 1.432 nan 8.270 nan 0.000 0.407 394 G N 3.728 112.527 108.800 -0.003 0.000 2.659 394 G HA2 -0.245 3.716 3.960 0.001 0.000 0.202 394 G HA3 -0.245 3.716 3.960 0.001 0.000 0.202 394 G C 0.139 175.030 174.900 -0.014 0.000 1.186 394 G CA -0.112 44.992 45.100 0.006 0.000 0.783 394 G HN 0.502 nan 8.290 nan 0.000 0.521 395 L N 1.615 122.787 121.223 -0.086 0.000 2.472 395 L HA 0.304 4.645 4.340 0.001 0.000 0.273 395 L C 0.503 177.401 176.870 0.047 0.000 1.254 395 L CA 0.125 54.941 54.840 -0.040 0.000 0.823 395 L CB 0.154 42.161 42.059 -0.087 0.000 1.096 395 L HN 0.367 nan 8.230 nan 0.000 0.521 396 D N 0.083 120.465 120.400 -0.030 0.000 2.295 396 D HA 0.112 4.752 4.640 0.001 0.000 0.248 396 D C 1.005 177.184 176.300 -0.200 0.000 1.154 396 D CA -0.428 53.529 54.000 -0.071 0.000 0.857 396 D CB 1.764 42.527 40.800 -0.062 0.000 1.117 396 D HN 0.353 nan 8.370 nan 0.000 0.468 397 V N 2.402 122.170 119.914 -0.244 0.000 2.636 397 V HA -0.243 3.877 4.120 0.001 0.000 0.258 397 V C 1.870 177.772 176.094 -0.319 0.000 1.092 397 V CA 1.835 63.870 62.300 -0.442 0.000 1.110 397 V CB -0.765 30.901 31.823 -0.262 0.000 0.685 397 V HN 0.394 nan 8.190 nan 0.000 0.481 398 S N 1.172 116.762 115.700 -0.183 0.000 2.356 398 S HA -0.173 4.298 4.470 0.001 0.000 0.223 398 S C 2.135 176.664 174.600 -0.119 0.000 1.032 398 S CA 1.925 60.057 58.200 -0.114 0.000 1.005 398 S CB -0.518 62.640 63.200 -0.070 0.000 0.867 398 S HN 1.039 nan 8.310 nan 0.000 0.449 399 V N 1.036 120.870 119.914 -0.133 0.000 2.285 399 V HA -0.211 3.910 4.120 0.001 0.000 0.260 399 V C 0.969 177.015 176.094 -0.079 0.000 1.089 399 V CA 1.098 63.341 62.300 -0.096 0.000 1.082 399 V CB -1.295 30.471 31.823 -0.095 0.000 0.681 399 V HN 0.363 nan 8.190 nan 0.000 0.452 400 I N 3.903 124.403 120.570 -0.118 0.000 2.587 400 I HA 0.250 4.420 4.170 0.001 0.000 0.284 400 I C -1.313 174.779 176.117 -0.041 0.000 1.134 400 I CA -2.624 58.644 61.300 -0.053 0.000 1.410 400 I CB -0.053 37.927 38.000 -0.033 0.000 1.392 400 I HN 0.357 nan 8.210 nan 0.000 0.545 401 P HA 0.240 nan 4.420 nan 0.000 0.275 401 P C -2.375 174.888 177.300 -0.062 0.000 1.270 401 P CA -0.724 62.349 63.100 -0.045 0.000 0.791 401 P CB 0.379 32.053 31.700 -0.044 0.000 1.089 402 P HA 0.377 nan 4.420 nan 0.000 0.295 402 P C 0.353 177.581 177.300 -0.119 0.000 1.274 402 P CA 0.424 63.466 63.100 -0.097 0.000 0.943 402 P CB 1.367 33.019 31.700 -0.079 0.000 1.462 403 I N -1.383 119.128 120.570 -0.098 0.000 3.322 403 I HA 0.584 4.755 4.170 0.001 0.000 0.313 403 I C 0.019 176.084 176.117 -0.087 0.000 1.129 403 I CA -0.381 60.862 61.300 -0.096 0.000 0.963 403 I CB 1.860 39.815 38.000 -0.075 0.000 1.273 403 I HN 0.062 nan 8.210 nan 0.000 0.473 404 G N 1.948 110.700 108.800 -0.080 0.000 2.819 404 G HA2 -0.149 3.811 3.960 0.001 0.000 0.682 404 G HA3 -0.149 3.811 3.960 0.001 0.000 0.682 404 G C -1.083 173.770 174.900 -0.078 0.000 1.481 404 G CA -0.815 44.246 45.100 -0.066 0.000 0.904 404 G HN 0.588 nan 8.290 nan 0.000 0.563 405 D N -0.895 119.469 120.400 -0.061 0.000 2.399 405 D HA 0.530 5.170 4.640 0.001 0.000 0.241 405 D C 0.571 176.845 176.300 -0.043 0.000 1.133 405 D CA 0.863 54.826 54.000 -0.062 0.000 0.890 405 D CB 1.757 42.537 40.800 -0.034 0.000 1.201 405 D HN 1.109 nan 8.370 nan 0.000 0.432 406 V N 0.748 120.640 119.914 -0.037 0.000 3.106 406 V HA 0.396 4.516 4.120 0.001 0.000 0.280 406 V C -1.687 174.457 176.094 0.083 0.000 1.525 406 V CA -0.708 61.600 62.300 0.014 0.000 0.999 406 V CB 2.164 33.985 31.823 -0.004 0.000 1.186 406 V HN 0.380 nan 8.190 nan 0.000 0.448 407 V N 3.424 123.411 119.914 0.121 0.000 2.531 407 V HA 0.848 4.968 4.120 0.001 0.000 0.301 407 V C -0.667 175.518 176.094 0.152 0.000 1.034 407 V CA -0.709 61.694 62.300 0.173 0.000 0.865 407 V CB 1.462 33.363 31.823 0.131 0.000 0.995 407 V HN 0.714 nan 8.190 nan 0.000 0.424 408 V N 4.821 124.841 119.914 0.177 0.000 2.334 408 V HA 0.353 4.473 4.120 0.001 0.000 0.281 408 V C 0.182 176.285 176.094 0.014 0.000 1.016 408 V CA -0.524 61.847 62.300 0.118 0.000 0.832 408 V CB 1.571 33.493 31.823 0.166 0.000 0.999 408 V HN 0.743 nan 8.190 nan 0.000 0.439 409 V N 5.396 125.341 119.914 0.051 0.000 2.267 409 V HA 0.661 4.781 4.120 0.001 0.000 0.254 409 V C 0.634 176.762 176.094 0.057 0.000 1.144 409 V CA 0.127 62.457 62.300 0.049 0.000 0.992 409 V CB 0.434 32.313 31.823 0.093 0.000 1.199 409 V HN 0.981 nan 8.190 nan 0.000 0.493 410 A N 3.702 126.483 122.820 -0.065 0.000 2.430 410 A HA 0.959 5.279 4.320 0.001 0.000 0.300 410 A C 0.153 177.687 177.584 -0.083 0.000 1.124 410 A CA -0.407 51.593 52.037 -0.062 0.000 0.766 410 A CB 1.897 20.845 19.000 -0.087 0.000 1.328 410 A HN 0.648 nan 8.150 nan 0.000 0.424 411 T N -1.419 113.137 114.554 0.004 0.000 2.952 411 T HA 0.538 4.888 4.350 0.001 0.000 0.286 411 T C -0.604 174.194 174.700 0.163 0.000 1.024 411 T CA -0.583 61.592 62.100 0.124 0.000 1.029 411 T CB 0.657 69.563 68.868 0.063 0.000 1.094 411 T HN 0.476 nan 8.240 nan 0.000 0.515 412 D N 1.278 121.845 120.400 0.279 0.000 2.661 412 D HA 0.375 5.016 4.640 0.001 0.000 0.244 412 D C 0.841 177.193 176.300 0.085 0.000 1.196 412 D CA 1.407 55.544 54.000 0.228 0.000 0.881 412 D CB -0.044 40.817 40.800 0.102 0.000 1.141 412 D HN 0.936 nan 8.370 nan 0.000 0.530 413 A N 1.941 124.810 122.820 0.081 0.000 2.400 413 A HA 0.054 4.374 4.320 0.001 0.000 0.216 413 A C -0.222 177.405 177.584 0.071 0.000 2.857 413 A CA -0.395 51.641 52.037 -0.001 0.000 1.527 413 A CB -0.432 18.468 19.000 -0.168 0.000 0.336 413 A HN 0.383 nan 8.150 nan 0.000 0.532 419 T N 1.008 114.826 114.554 -1.228 0.000 3.052 419 T HA 0.020 4.371 4.350 0.001 0.000 0.270 419 T C 1.684 176.222 174.700 -0.271 0.000 1.147 419 T CA 1.292 62.943 62.100 -0.750 0.000 1.089 419 T CB -0.714 67.584 68.868 -0.950 0.000 0.875 419 T HN 0.736 nan 8.240 nan 0.000 0.541 420 G N 1.454 110.295 108.800 0.068 0.000 2.432 420 G HA2 -0.132 3.828 3.960 0.001 0.000 0.219 420 G HA3 -0.132 3.828 3.960 0.001 0.000 0.219 420 G C 0.221 174.866 174.900 -0.425 0.000 1.135 420 G CA 0.151 45.235 45.100 -0.027 0.000 0.767 420 G HN 0.393 nan 8.290 nan 0.000 0.550 421 D N -0.124 120.216 120.400 -0.099 0.000 3.061 421 D HA -0.142 4.498 4.640 0.001 0.000 0.203 421 D C -0.267 175.914 176.300 -0.198 0.000 1.245 421 D CA 0.856 54.804 54.000 -0.086 0.000 0.812 421 D CB -1.038 39.687 40.800 -0.126 0.000 0.857 421 D HN 0.249 nan 8.370 nan 0.000 0.387 422 F N 0.705 120.676 119.950 0.036 0.000 2.377 422 F HA 0.221 4.748 4.527 0.001 0.000 0.328 422 F C 1.948 177.761 175.800 0.022 0.000 1.094 422 F CA -0.729 57.287 58.000 0.027 0.000 1.093 422 F CB 0.904 39.953 39.000 0.080 0.000 1.214 422 F HN -0.089 nan 8.300 nan 0.000 0.518 423 D N 0.068 120.561 120.400 0.157 0.000 2.144 423 D HA -0.027 4.614 4.640 0.001 0.000 0.207 423 D C 0.578 177.021 176.300 0.238 0.000 0.970 423 D CA 1.172 55.238 54.000 0.111 0.000 0.853 423 D CB 0.001 40.773 40.800 -0.046 0.000 1.007 423 D HN 0.427 nan 8.370 nan 0.000 0.469 424 S N -0.619 115.320 115.700 0.397 0.000 2.632 424 S HA 0.597 5.067 4.470 0.001 0.000 0.289 424 S C -0.691 174.084 174.600 0.291 0.000 1.115 424 S CA -0.799 57.600 58.200 0.332 0.000 0.889 424 S CB 2.744 66.101 63.200 0.262 0.000 1.116 424 S HN -0.127 nan 8.310 nan 0.000 0.486 425 V N 2.871 122.925 119.914 0.233 0.000 2.383 425 V HA 0.316 4.437 4.120 0.001 0.000 0.264 425 V C -0.663 175.523 176.094 0.153 0.000 1.001 425 V CA -0.674 61.774 62.300 0.247 0.000 0.828 425 V CB 0.636 32.702 31.823 0.404 0.000 1.069 425 V HN 0.814 nan 8.190 nan 0.000 0.451 426 I N 2.796 123.395 120.570 0.047 0.000 2.618 426 I HA 0.231 4.402 4.170 0.001 0.000 0.284 426 I C 0.166 176.382 176.117 0.166 0.000 1.146 426 I CA 0.758 62.036 61.300 -0.036 0.000 1.425 426 I CB 0.596 38.489 38.000 -0.180 0.000 1.383 426 I HN 0.506 nan 8.210 nan 0.000 0.562 427 D N 5.048 125.534 120.400 0.143 0.000 2.649 427 D HA 0.203 4.843 4.640 0.001 0.000 0.249 427 D C 0.718 177.186 176.300 0.280 0.000 1.112 427 D CA -0.649 53.524 54.000 0.288 0.000 0.850 427 D CB 1.813 42.755 40.800 0.236 0.000 1.399 427 D HN 0.682 nan 8.370 nan 0.000 0.503 428 C N 3.007 122.411 119.300 0.174 0.000 2.472 428 C HA 0.180 4.640 4.460 0.001 0.000 0.278 428 C C 1.422 176.210 174.990 -0.336 0.000 1.447 428 C CA 0.508 59.305 59.018 -0.368 0.000 1.773 428 C CB -1.752 25.426 27.740 -0.938 0.000 1.793 428 C HN 0.887 nan 8.230 nan 0.000 0.544 429 N N 0.318 118.953 118.700 -0.108 0.000 2.887 429 N HA -0.236 4.505 4.740 0.001 0.000 0.219 429 N C 0.510 175.946 175.510 -0.124 0.000 0.855 429 N CA 1.829 54.838 53.050 -0.069 0.000 1.164 429 N CB -1.720 36.760 38.487 -0.012 0.000 0.969 429 N HN 0.866 nan 8.380 nan 0.000 0.610 430 T N -2.489 111.929 114.554 -0.226 0.000 2.770 430 T HA 0.613 4.964 4.350 0.001 0.000 0.281 430 T C 0.310 174.950 174.700 -0.099 0.000 0.981 430 T CA -0.148 61.847 62.100 -0.175 0.000 0.955 430 T CB 2.064 70.780 68.868 -0.254 0.000 1.060 430 T HN 0.371 nan 8.240 nan 0.000 0.531 431 C N -0.089 119.186 119.300 -0.041 0.000 3.318 431 C HA 0.721 5.181 4.460 0.001 0.000 0.322 431 C C -1.407 173.606 174.990 0.039 0.000 1.398 431 C CA -0.495 58.525 59.018 0.004 0.000 1.339 431 C CB 1.353 29.084 27.740 -0.014 0.000 1.668 431 C HN 0.927 nan 8.230 nan 0.000 0.462 432 V N 2.926 122.867 119.914 0.046 0.000 2.531 432 V HA 0.779 4.899 4.120 0.001 0.000 0.301 432 V C 0.019 176.133 176.094 0.033 0.000 1.034 432 V CA -0.035 62.297 62.300 0.052 0.000 0.865 432 V CB 1.812 33.666 31.823 0.052 0.000 0.995 432 V HN 1.036 nan 8.190 nan 0.000 0.424 433 T N 3.243 117.819 114.554 0.037 0.000 2.812 433 T HA 0.460 4.811 4.350 0.001 0.000 0.294 433 T C -1.103 173.626 174.700 0.048 0.000 1.159 433 T CA -0.714 61.408 62.100 0.036 0.000 1.008 433 T CB 2.152 71.042 68.868 0.035 0.000 1.289 433 T HN 0.595 nan 8.240 nan 0.000 0.514 434 Q N 1.300 121.136 119.800 0.059 0.000 2.245 434 Q HA 0.641 4.981 4.340 0.001 0.000 0.256 434 Q C -0.688 175.351 176.000 0.066 0.000 0.942 434 Q CA -0.659 55.192 55.803 0.081 0.000 0.896 434 Q CB 1.738 30.562 28.738 0.143 0.000 1.272 434 Q HN 0.817 nan 8.270 nan 0.000 0.442 435 T N -1.821 112.758 114.554 0.043 0.000 2.900 435 T HA 0.548 4.898 4.350 0.001 0.000 0.295 435 T C -0.763 173.918 174.700 -0.032 0.000 1.044 435 T CA -0.789 61.320 62.100 0.014 0.000 0.995 435 T CB 1.633 70.509 68.868 0.013 0.000 1.072 435 T HN 0.355 nan 8.240 nan 0.000 0.473 436 V N 1.034 120.895 119.914 -0.088 0.000 2.472 436 V HA 0.688 4.809 4.120 0.001 0.000 0.290 436 V C -1.188 174.729 176.094 -0.294 0.000 1.037 436 V CA -0.492 61.680 62.300 -0.214 0.000 0.908 436 V CB 1.534 33.189 31.823 -0.279 0.000 0.985 436 V HN 1.112 nan 8.190 nan 0.000 0.454 437 D N 5.303 125.542 120.400 -0.267 0.000 2.468 437 D HA 0.344 4.985 4.640 0.001 0.000 0.272 437 D C -0.615 175.623 176.300 -0.104 0.000 1.221 437 D CA -0.427 53.463 54.000 -0.184 0.000 0.860 437 D CB 0.019 40.798 40.800 -0.035 0.000 1.190 437 D HN 0.374 nan 8.370 nan 0.000 0.509 438 F N 1.453 121.481 119.950 0.130 0.000 2.460 438 F HA 0.009 4.536 4.527 0.001 0.000 0.413 438 F C 1.574 177.430 175.800 0.094 0.000 0.967 438 F CA 0.410 58.485 58.000 0.125 0.000 1.122 438 F CB 0.124 39.126 39.000 0.004 0.000 0.927 438 F HN 0.289 nan 8.300 nan 0.000 0.527 439 S N 2.603 118.453 115.700 0.248 0.000 3.025 439 S HA 0.199 4.670 4.470 0.001 0.000 0.251 439 S C 0.071 174.738 174.600 0.111 0.000 0.954 439 S CA -0.709 57.580 58.200 0.147 0.000 1.092 439 S CB -0.568 62.700 63.200 0.113 0.000 1.079 439 S HN 0.705 nan 8.310 nan 0.000 0.543 440 L N 2.959 124.251 121.223 0.116 0.000 4.256 440 L HA -0.208 4.132 4.340 0.001 0.000 0.482 440 L C -0.864 176.034 176.870 0.046 0.000 1.056 440 L CA 1.263 56.142 54.840 0.066 0.000 0.622 440 L CB -0.677 41.401 42.059 0.032 0.000 1.418 440 L HN 0.775 nan 8.230 nan 0.000 0.738 441 D N 0.222 120.652 120.400 0.049 0.000 3.285 441 D HA 0.204 4.845 4.640 0.001 0.000 0.273 441 D C -2.264 174.043 176.300 0.012 0.000 1.295 441 D CA -0.844 53.173 54.000 0.028 0.000 0.762 441 D CB 0.670 41.491 40.800 0.036 0.000 1.379 441 D HN 0.165 nan 8.370 nan 0.000 0.612 442 P HA 0.069 nan 4.420 nan 0.000 0.259 442 P C 0.696 177.997 177.300 0.001 0.000 1.233 442 P CA 0.432 63.527 63.100 -0.008 0.000 0.827 442 P CB 1.094 32.779 31.700 -0.026 0.000 1.154 443 T N -2.778 111.764 114.554 -0.020 0.000 3.330 443 T HA 0.325 4.675 4.350 0.001 0.000 0.240 443 T C 0.773 175.591 174.700 0.197 0.000 0.988 443 T CA 0.159 62.270 62.100 0.019 0.000 1.253 443 T CB -0.180 68.604 68.868 -0.140 0.000 1.163 443 T HN 0.093 nan 8.240 nan 0.000 0.382 444 F N 0.433 120.509 119.950 0.209 0.000 3.578 444 F HA 0.861 5.389 4.527 0.001 0.000 0.328 444 F C -1.500 174.367 175.800 0.110 0.000 1.214 444 F CA -1.129 56.975 58.000 0.172 0.000 0.929 444 F CB 0.884 40.020 39.000 0.227 0.000 1.612 444 F HN 0.143 nan 8.300 nan 0.000 0.524 445 T N 0.708 115.615 114.554 0.588 0.000 2.977 445 T HA 0.542 4.892 4.350 0.001 0.000 0.345 445 T C -1.456 173.349 174.700 0.175 0.000 1.562 445 T CA -0.415 61.876 62.100 0.317 0.000 1.090 445 T CB 1.876 70.839 68.868 0.159 0.000 1.383 445 T HN 0.657 nan 8.240 nan 0.000 0.484 446 I N 2.881 123.504 120.570 0.089 0.000 2.782 446 I HA 0.215 4.386 4.170 0.001 0.000 0.279 446 I C 0.283 176.407 176.117 0.012 0.000 1.247 446 I CA -0.609 60.666 61.300 -0.042 0.000 1.062 446 I CB 0.734 38.574 38.000 -0.267 0.000 1.421 446 I HN 0.618 nan 8.210 nan 0.000 0.558 447 E N 1.933 122.154 120.200 0.034 0.000 2.319 447 E HA 0.393 4.743 4.350 0.001 0.000 0.268 447 E C 0.042 176.674 176.600 0.053 0.000 1.050 447 E CA -0.795 55.635 56.400 0.050 0.000 0.878 447 E CB 1.065 30.795 29.700 0.049 0.000 1.066 447 E HN 0.313 nan 8.360 nan 0.000 0.406 448 T N 0.263 114.853 114.554 0.060 0.000 2.780 448 T HA 0.347 4.697 4.350 0.001 0.000 0.294 448 T C 0.028 174.760 174.700 0.053 0.000 0.949 448 T CA -0.519 61.616 62.100 0.060 0.000 1.074 448 T CB 0.865 69.766 68.868 0.055 0.000 0.910 448 T HN 0.620 nan 8.240 nan 0.000 0.501 449 T N -0.112 114.473 114.554 0.051 0.000 2.907 449 T HA 0.625 4.975 4.350 0.001 0.000 0.292 449 T C 0.003 174.737 174.700 0.058 0.000 1.043 449 T CA -0.855 61.276 62.100 0.051 0.000 1.003 449 T CB 1.510 70.401 68.868 0.040 0.000 1.084 449 T HN 0.808 nan 8.240 nan 0.000 0.483 450 T N 0.232 114.826 114.554 0.067 0.000 2.891 450 T HA 0.566 4.916 4.350 0.001 0.000 0.315 450 T C -0.101 174.614 174.700 0.026 0.000 1.054 450 T CA -0.685 61.460 62.100 0.075 0.000 0.958 450 T CB 0.241 69.181 68.868 0.119 0.000 1.008 450 T HN 0.748 nan 8.240 nan 0.000 0.521 451 V N 4.701 124.626 119.914 0.018 0.000 2.919 451 V HA 0.672 4.793 4.120 0.001 0.000 0.316 451 V C -2.315 173.769 176.094 -0.017 0.000 1.077 451 V CA -2.753 59.547 62.300 -0.000 0.000 0.977 451 V CB 2.142 33.970 31.823 0.009 0.000 1.039 451 V HN 0.738 nan 8.190 nan 0.000 0.441 452 P HA 0.045 nan 4.420 nan 0.000 0.266 452 P C -0.893 176.388 177.300 -0.032 0.000 1.195 452 P CA 0.063 63.141 63.100 -0.037 0.000 0.768 452 P CB 0.318 32.000 31.700 -0.030 0.000 0.838 453 Q N 2.093 121.867 119.800 -0.043 0.000 2.421 453 Q HA 0.124 4.464 4.340 0.001 0.000 0.255 453 Q C -0.361 175.614 176.000 -0.042 0.000 1.013 453 Q CA -0.249 55.527 55.803 -0.045 0.000 0.895 453 Q CB 0.214 28.916 28.738 -0.060 0.000 1.271 453 Q HN 0.490 nan 8.270 nan 0.000 0.460 454 D N 0.597 120.972 120.400 -0.041 0.000 2.387 454 D HA 0.406 5.046 4.640 0.001 0.000 0.255 454 D C 0.686 176.947 176.300 -0.065 0.000 1.081 454 D CA -0.133 53.842 54.000 -0.041 0.000 0.994 454 D CB 0.954 41.741 40.800 -0.022 0.000 1.127 454 D HN 0.591 nan 8.370 nan 0.000 0.513 455 A N 0.603 123.379 122.820 -0.073 0.000 1.971 455 A HA -0.217 4.103 4.320 0.001 0.000 0.222 455 A C 2.106 179.619 177.584 -0.119 0.000 1.182 455 A CA 2.208 54.185 52.037 -0.099 0.000 0.649 455 A CB -1.223 17.718 19.000 -0.099 0.000 0.818 455 A HN 0.453 nan 8.150 nan 0.000 0.458 456 V N -0.561 119.287 119.914 -0.111 0.000 2.223 456 V HA -0.242 3.879 4.120 0.001 0.000 0.244 456 V C 2.749 178.774 176.094 -0.115 0.000 1.045 456 V CA 2.388 64.609 62.300 -0.131 0.000 1.000 456 V CB -1.117 30.639 31.823 -0.111 0.000 0.635 456 V HN 0.700 nan 8.190 nan 0.000 0.445 457 S N -0.475 115.171 115.700 -0.089 0.000 2.420 457 S HA -0.277 4.193 4.470 0.001 0.000 0.237 457 S C 2.025 176.534 174.600 -0.152 0.000 1.023 457 S CA 1.858 59.995 58.200 -0.105 0.000 0.991 457 S CB -0.475 62.675 63.200 -0.084 0.000 0.792 457 S HN 0.535 nan 8.310 nan 0.000 0.488 458 R N -0.210 120.203 120.500 -0.145 0.000 2.334 458 R HA 0.241 4.581 4.340 0.001 0.000 0.220 458 R C 0.655 176.810 176.300 -0.242 0.000 0.917 458 R CA 0.635 56.631 56.100 -0.174 0.000 1.073 458 R CB 0.007 30.224 30.300 -0.139 0.000 1.056 458 R HN 0.351 nan 8.270 nan 0.000 0.506 459 S N -0.574 115.007 115.700 -0.198 0.000 2.603 459 S HA 0.145 4.616 4.470 0.001 0.000 0.232 459 S C 0.998 175.515 174.600 -0.138 0.000 1.016 459 S CA -0.452 57.637 58.200 -0.185 0.000 0.976 459 S CB 0.819 63.924 63.200 -0.159 0.000 0.921 459 S HN 0.289 nan 8.310 nan 0.000 0.516 460 Q N 1.028 120.745 119.800 -0.138 0.000 2.349 460 Q HA 0.235 4.575 4.340 0.001 0.000 0.209 460 Q C 1.743 177.683 176.000 -0.099 0.000 0.920 460 Q CA 0.383 56.134 55.803 -0.087 0.000 0.901 460 Q CB 0.120 28.814 28.738 -0.075 0.000 1.021 460 Q HN 0.425 nan 8.270 nan 0.000 0.519 461 R N 0.602 120.966 120.500 -0.227 0.000 2.080 461 R HA 0.066 4.406 4.340 0.001 0.000 0.222 461 R C 2.339 178.606 176.300 -0.055 0.000 1.107 461 R CA 0.519 56.434 56.100 -0.308 0.000 0.980 461 R CB -0.112 29.760 30.300 -0.713 0.000 0.879 461 R HN 0.050 nan 8.270 nan 0.000 0.439 462 R N 0.612 120.966 120.500 -0.244 0.000 2.096 462 R HA -0.088 4.252 4.340 0.001 0.000 0.235 462 R C 1.849 178.104 176.300 -0.074 0.000 1.127 462 R CA 1.612 57.461 56.100 -0.418 0.000 0.968 462 R CB -0.297 29.485 30.300 -0.864 0.000 0.861 462 R HN 0.286 nan 8.270 nan 0.000 0.440 463 G N -0.446 108.338 108.800 -0.026 0.000 2.920 463 G HA2 -0.128 3.832 3.960 0.001 0.000 0.208 463 G HA3 -0.128 3.832 3.960 0.001 0.000 0.208 463 G C 1.203 176.176 174.900 0.122 0.000 1.159 463 G CA -0.295 44.858 45.100 0.088 0.000 0.784 463 G HN 0.152 nan 8.290 nan 0.000 0.535 464 R N -0.294 120.290 120.500 0.140 0.000 2.280 464 R HA 0.135 4.475 4.340 0.001 0.000 0.207 464 R C 1.116 177.545 176.300 0.215 0.000 1.043 464 R CA 0.607 56.820 56.100 0.188 0.000 1.006 464 R CB -0.273 30.166 30.300 0.233 0.000 0.885 464 R HN 0.330 nan 8.270 nan 0.000 0.467 465 T N -4.501 110.165 114.554 0.187 0.000 2.669 465 T HA 0.476 4.826 4.350 0.001 0.000 0.283 465 T C 0.547 175.289 174.700 0.069 0.000 1.019 465 T CA -0.082 62.128 62.100 0.184 0.000 1.039 465 T CB 1.157 70.158 68.868 0.222 0.000 1.374 465 T HN 0.164 nan 8.240 nan 0.000 0.523 466 G N 1.467 110.283 108.800 0.027 0.000 2.257 466 G HA2 -0.253 3.707 3.960 0.001 0.000 0.267 466 G HA3 -0.253 3.707 3.960 0.001 0.000 0.267 466 G C 0.380 175.219 174.900 -0.103 0.000 0.984 466 G CA 0.797 45.826 45.100 -0.118 0.000 0.626 466 G HN 0.799 nan 8.290 nan 0.000 0.540 467 R N 1.285 121.798 120.500 0.023 0.000 2.402 467 R HA 0.430 4.770 4.340 0.001 0.000 0.331 467 R C 1.530 177.869 176.300 0.065 0.000 1.040 467 R CA 1.486 57.641 56.100 0.091 0.000 0.980 467 R CB -0.543 29.835 30.300 0.130 0.000 0.967 467 R HN 1.407 nan 8.270 nan 0.000 0.440 468 G N 5.148 113.985 108.800 0.061 0.000 3.675 468 G HA2 -0.371 3.590 3.960 0.001 0.000 0.275 468 G HA3 -0.371 3.590 3.960 0.001 0.000 0.275 468 G C -0.611 174.304 174.900 0.025 0.000 1.648 468 G CA 0.107 45.232 45.100 0.042 0.000 1.093 468 G HN 0.742 nan 8.290 nan 0.000 0.617 469 R N 1.410 121.919 120.500 0.016 0.000 2.343 469 R HA 0.508 4.848 4.340 0.001 0.000 0.326 469 R C 0.772 177.077 176.300 0.007 0.000 1.055 469 R CA 0.500 56.605 56.100 0.008 0.000 0.961 469 R CB 0.329 30.629 30.300 -0.000 0.000 0.978 469 R HN 1.251 nan 8.270 nan 0.000 0.443 470 S N 1.914 117.616 115.700 0.003 0.000 3.225 470 S HA 0.000 4.471 4.470 0.001 0.000 0.378 470 S C 0.568 175.173 174.600 0.007 0.000 1.190 470 S CA -0.134 58.063 58.200 -0.006 0.000 1.104 470 S CB 0.221 63.426 63.200 0.007 0.000 0.795 470 S HN 0.814 nan 8.310 nan 0.000 0.517 471 G N 2.209 111.007 108.800 -0.004 0.000 2.887 471 G HA2 0.751 4.711 3.960 0.001 0.000 0.277 471 G HA3 0.751 4.711 3.960 0.001 0.000 0.277 471 G C -0.760 174.179 174.900 0.066 0.000 1.346 471 G CA -1.301 43.827 45.100 0.047 0.000 1.058 471 G HN 0.762 nan 8.290 nan 0.000 0.535 472 I N -0.750 119.895 120.570 0.125 0.000 2.730 472 I HA 0.335 4.505 4.170 0.001 0.000 0.298 472 I C -1.673 174.583 176.117 0.231 0.000 1.089 472 I CA -0.839 60.552 61.300 0.151 0.000 1.041 472 I CB 2.690 40.763 38.000 0.122 0.000 1.235 472 I HN 0.458 nan 8.210 nan 0.000 0.423 473 Y N 5.111 125.477 120.300 0.111 0.000 2.364 473 Y HA 0.620 5.170 4.550 0.001 0.000 0.340 473 Y C -0.839 175.189 175.900 0.213 0.000 0.975 473 Y CA -0.832 57.357 58.100 0.149 0.000 1.089 473 Y CB 1.300 39.838 38.460 0.130 0.000 1.192 473 Y HN 0.429 nan 8.280 nan 0.000 0.454 474 R N 6.737 126.970 120.500 -0.446 0.000 2.476 474 R HA 0.429 4.770 4.340 0.001 0.000 0.305 474 R C -1.570 174.519 176.300 -0.351 0.000 0.965 474 R CA -0.679 55.244 56.100 -0.295 0.000 0.867 474 R CB 1.274 31.461 30.300 -0.189 0.000 1.176 474 R HN 0.595 nan 8.270 nan 0.000 0.447 475 F N 0.008 119.751 119.950 -0.344 0.000 2.557 475 F HA 0.634 5.161 4.527 0.001 0.000 0.336 475 F C 0.322 176.120 175.800 -0.004 0.000 1.058 475 F CA -1.101 56.803 58.000 -0.161 0.000 0.988 475 F CB 0.173 39.136 39.000 -0.061 0.000 1.275 475 F HN 0.079 nan 8.300 nan 0.000 0.488 476 V N -0.454 119.559 119.914 0.164 0.000 2.543 476 V HA 0.093 4.213 4.120 0.001 0.000 0.232 476 V C 0.533 176.697 176.094 0.117 0.000 1.087 476 V CA 0.873 63.218 62.300 0.075 0.000 1.113 476 V CB -0.198 31.645 31.823 0.035 0.000 0.779 476 V HN 0.867 nan 8.190 nan 0.000 0.495 477 T N 3.928 118.568 114.554 0.142 0.000 2.729 477 T HA 0.335 4.685 4.350 0.001 0.000 0.296 477 T C -2.245 172.600 174.700 0.241 0.000 0.928 477 T CA -0.689 61.492 62.100 0.135 0.000 1.045 477 T CB 1.240 70.138 68.868 0.050 0.000 0.902 477 T HN 0.349 nan 8.240 nan 0.000 0.500 478 P HA 0.350 nan 4.420 nan 0.000 0.275 478 P C 0.223 177.559 177.300 0.060 0.000 1.266 478 P CA -0.173 63.076 63.100 0.248 0.000 0.793 478 P CB 0.403 32.299 31.700 0.327 0.000 1.074 479 G N 0.955 109.737 108.800 -0.030 0.000 2.686 479 G HA2 -0.130 3.831 3.960 0.001 0.000 0.211 479 G HA3 -0.130 3.831 3.960 0.001 0.000 0.211 479 G C -0.325 174.546 174.900 -0.048 0.000 0.829 479 G CA -0.244 44.830 45.100 -0.042 0.000 0.993 479 G HN 0.710 nan 8.290 nan 0.000 0.330 480 E N 2.498 122.651 120.200 -0.078 0.000 2.398 480 E HA 0.593 4.943 4.350 0.001 0.000 0.263 480 E C 0.864 177.431 176.600 -0.054 0.000 1.046 480 E CA -0.545 55.812 56.400 -0.070 0.000 0.908 480 E CB 0.827 30.469 29.700 -0.096 0.000 0.963 480 E HN 0.489 nan 8.360 nan 0.000 0.431 481 R N 2.036 122.509 120.500 -0.046 0.000 2.560 481 R HA 0.379 4.719 4.340 0.001 0.000 0.270 481 R C -2.112 174.161 176.300 -0.045 0.000 1.074 481 R CA -2.266 53.811 56.100 -0.038 0.000 1.140 481 R CB -0.355 29.928 30.300 -0.029 0.000 1.073 481 R HN 0.523 nan 8.270 nan 0.000 0.527 482 P HA 0.115 nan 4.420 nan 0.000 0.276 482 P C -0.295 176.983 177.300 -0.037 0.000 1.252 482 P CA -0.337 62.736 63.100 -0.045 0.000 0.802 482 P CB 0.831 32.506 31.700 -0.041 0.000 1.035 483 S N -0.130 115.546 115.700 -0.040 0.000 2.745 483 S HA 0.636 5.106 4.470 0.001 0.000 0.292 483 S C 0.494 175.093 174.600 -0.002 0.000 1.127 483 S CA 0.025 58.212 58.200 -0.021 0.000 1.007 483 S CB 0.011 63.188 63.200 -0.038 0.000 1.165 483 S HN 0.896 nan 8.310 nan 0.000 0.544 484 G N 0.780 109.602 108.800 0.037 0.000 2.401 484 G HA2 0.001 3.962 3.960 0.001 0.000 0.283 484 G HA3 0.001 3.962 3.960 0.001 0.000 0.283 484 G C -0.374 174.544 174.900 0.031 0.000 1.117 484 G CA 0.218 45.351 45.100 0.056 0.000 1.051 484 G HN 1.576 nan 8.290 nan 0.000 0.510 485 M N -1.355 118.286 119.600 0.069 0.000 2.660 485 M HA 0.766 5.247 4.480 0.001 0.000 0.281 485 M C -1.251 175.101 176.300 0.087 0.000 1.131 485 M CA -1.276 53.995 55.300 -0.049 0.000 0.858 485 M CB 1.527 34.081 32.600 -0.077 0.000 1.732 485 M HN 0.989 nan 8.290 nan 0.000 0.516 486 F N -0.980 118.982 119.950 0.020 0.000 2.605 486 F HA 0.656 5.184 4.527 0.001 0.000 0.320 486 F C -0.826 174.976 175.800 0.003 0.000 1.159 486 F CA -0.982 57.025 58.000 0.011 0.000 0.999 486 F CB 0.579 39.585 39.000 0.010 0.000 1.258 486 F HN 0.809 nan 8.300 nan 0.000 0.464 487 D N 1.722 122.237 120.400 0.191 0.000 2.443 487 D HA 0.026 4.666 4.640 0.001 0.000 0.234 487 D C 1.395 177.799 176.300 0.172 0.000 1.172 487 D CA 0.814 54.886 54.000 0.120 0.000 0.878 487 D CB 1.641 42.492 40.800 0.085 0.000 1.204 487 D HN 0.698 nan 8.370 nan 0.000 0.453 488 S N 1.340 117.122 115.700 0.137 0.000 2.441 488 S HA -0.220 4.250 4.470 0.001 0.000 0.242 488 S C 1.906 176.594 174.600 0.146 0.000 1.018 488 S CA 1.540 59.882 58.200 0.236 0.000 0.988 488 S CB -0.245 63.236 63.200 0.470 0.000 0.778 488 S HN 0.513 nan 8.310 nan 0.000 0.498 489 S N 0.590 116.339 115.700 0.081 0.000 2.369 489 S HA -0.160 4.311 4.470 0.001 0.000 0.225 489 S C 1.874 176.452 174.600 -0.037 0.000 1.043 489 S CA 1.751 59.965 58.200 0.023 0.000 1.074 489 S CB -0.798 62.459 63.200 0.095 0.000 0.962 489 S HN 0.474 nan 8.310 nan 0.000 0.433 490 V N 2.402 122.305 119.914 -0.018 0.000 2.250 490 V HA -0.253 3.868 4.120 0.001 0.000 0.250 490 V C 2.207 178.164 176.094 -0.228 0.000 1.060 490 V CA 1.975 64.187 62.300 -0.146 0.000 1.030 490 V CB -0.949 30.727 31.823 -0.245 0.000 0.643 490 V HN 0.443 nan 8.190 nan 0.000 0.445 491 L N -0.324 120.804 121.223 -0.158 0.000 2.129 491 L HA -0.275 4.066 4.340 0.001 0.000 0.212 491 L C 2.663 179.221 176.870 -0.521 0.000 1.087 491 L CA 1.813 56.514 54.840 -0.232 0.000 0.757 491 L CB -0.808 41.287 42.059 0.059 0.000 0.896 491 L HN 0.643 nan 8.230 nan 0.000 0.434 492 C N -0.094 118.689 119.300 -0.862 0.000 2.522 492 C HA -0.109 4.352 4.460 0.001 0.000 0.280 492 C C 2.728 177.541 174.990 -0.294 0.000 1.303 492 C CA 0.736 59.119 59.018 -1.057 0.000 1.709 492 C CB -0.450 26.245 27.740 -1.743 0.000 2.071 492 C HN 0.626 nan 8.230 nan 0.000 0.492 493 E N -0.270 119.864 120.200 -0.109 0.000 2.219 493 E HA -0.225 4.125 4.350 0.001 0.000 0.198 493 E C 2.063 178.570 176.600 -0.155 0.000 0.998 493 E CA 1.825 58.163 56.400 -0.104 0.000 0.818 493 E CB -0.177 29.358 29.700 -0.275 0.000 0.741 493 E HN 0.810 nan 8.360 nan 0.000 0.477 494 C N -0.161 118.968 119.300 -0.286 0.000 2.541 494 C HA -0.104 4.357 4.460 0.001 0.000 0.282 494 C C 2.262 177.065 174.990 -0.311 0.000 1.263 494 C CA 0.640 59.449 59.018 -0.348 0.000 1.709 494 C CB -1.251 26.155 27.740 -0.556 0.000 2.097 494 C HN 0.542 nan 8.230 nan 0.000 0.480 495 Y N 1.271 121.365 120.300 -0.344 0.000 2.181 495 Y HA -0.232 4.318 4.550 0.001 0.000 0.284 495 Y C 2.376 178.191 175.900 -0.141 0.000 1.179 495 Y CA 2.087 59.887 58.100 -0.501 0.000 1.179 495 Y CB -0.766 36.890 38.460 -1.341 0.000 0.973 495 Y HN 0.444 nan 8.280 nan 0.000 0.519 496 D N -0.190 120.357 120.400 0.244 0.000 2.077 496 D HA -0.135 4.505 4.640 0.001 0.000 0.196 496 D C 2.137 178.596 176.300 0.266 0.000 0.986 496 D CA 1.428 55.716 54.000 0.481 0.000 0.829 496 D CB -0.279 40.825 40.800 0.507 0.000 0.983 496 D HN 0.240 nan 8.370 nan 0.000 0.453 497 A N -0.296 122.663 122.820 0.231 0.000 2.248 497 A HA 0.142 4.462 4.320 0.001 0.000 0.210 497 A C 1.962 179.771 177.584 0.375 0.000 1.174 497 A CA 1.459 53.729 52.037 0.390 0.000 0.750 497 A CB -0.534 18.674 19.000 0.347 0.000 0.780 497 A HN 0.377 nan 8.150 nan 0.000 0.478 498 G N -2.682 106.249 108.800 0.218 0.000 2.921 498 G HA2 0.109 4.070 3.960 0.001 0.000 0.213 498 G HA3 0.109 4.070 3.960 0.001 0.000 0.213 498 G C 1.051 176.035 174.900 0.139 0.000 1.143 498 G CA 0.915 46.136 45.100 0.200 0.000 0.764 498 G HN 0.473 nan 8.290 nan 0.000 0.542 499 C N -0.208 119.144 119.300 0.086 0.000 2.689 499 C HA 0.550 5.010 4.460 0.001 0.000 0.336 499 C C 3.044 178.057 174.990 0.038 0.000 1.304 499 C CA 0.689 59.707 59.018 -0.000 0.000 1.860 499 C CB 0.121 27.693 27.740 -0.279 0.000 2.405 499 C HN 0.501 nan 8.230 nan 0.000 0.557 500 A N -0.063 122.772 122.820 0.024 0.000 1.864 500 A HA 0.050 4.370 4.320 0.001 0.000 0.213 500 A C 1.721 179.088 177.584 -0.362 0.000 1.266 500 A CA 0.937 52.876 52.037 -0.165 0.000 0.612 500 A CB -0.809 17.991 19.000 -0.332 0.000 0.940 500 A HN 0.630 nan 8.150 nan 0.000 0.463 501 W N -1.261 119.957 121.300 -0.136 0.000 2.463 501 W HA -0.013 4.647 4.660 0.000 0.000 0.316 501 W C 1.935 178.209 176.519 -0.407 0.000 1.170 501 W CA 0.998 58.111 57.345 -0.387 0.000 1.355 501 W CB -0.775 28.212 29.460 -0.789 0.000 1.159 501 W HN 0.418 nan 8.180 nan 0.000 0.487 502 Y N 0.595 121.036 120.300 0.236 0.000 2.529 502 Y HA 0.085 4.635 4.550 0.001 0.000 0.290 502 Y C 0.531 176.467 175.900 0.059 0.000 1.177 502 Y CA 0.396 58.562 58.100 0.110 0.000 1.305 502 Y CB -1.011 37.483 38.460 0.056 0.000 1.047 502 Y HN 0.050 nan 8.280 nan 0.000 0.522 503 E N 1.298 121.581 120.200 0.138 0.000 2.513 503 E HA -0.212 4.138 4.350 0.001 0.000 0.156 503 E C -1.518 175.139 176.600 0.096 0.000 1.740 503 E CA 0.021 56.477 56.400 0.094 0.000 0.646 503 E CB -1.045 28.697 29.700 0.069 0.000 1.080 503 E HN 0.451 nan 8.360 nan 0.000 0.345 504 L N 2.691 123.970 121.223 0.094 0.000 2.436 504 L HA 0.355 4.696 4.340 0.001 0.000 0.268 504 L C 0.533 177.446 176.870 0.072 0.000 0.974 504 L CA -0.647 54.237 54.840 0.073 0.000 0.826 504 L CB 2.018 44.114 42.059 0.063 0.000 1.291 504 L HN 0.426 nan 8.230 nan 0.000 0.406 505 T N -0.558 114.035 114.554 0.065 0.000 2.908 505 T HA 0.074 4.424 4.350 0.001 0.000 0.301 505 T C -1.790 172.967 174.700 0.095 0.000 1.019 505 T CA -0.848 61.294 62.100 0.070 0.000 1.152 505 T CB 0.819 69.722 68.868 0.057 0.000 0.966 505 T HN 0.363 nan 8.240 nan 0.000 0.540 506 P HA -0.199 nan 4.420 nan 0.000 0.218 506 P C 1.558 178.930 177.300 0.120 0.000 1.150 506 P CA 1.766 64.933 63.100 0.111 0.000 0.841 506 P CB -0.170 31.547 31.700 0.028 0.000 0.784 507 A N -0.157 122.712 122.820 0.081 0.000 1.832 507 A HA -0.242 4.079 4.320 0.001 0.000 0.214 507 A C 2.163 179.803 177.584 0.093 0.000 1.200 507 A CA 1.814 53.896 52.037 0.075 0.000 0.610 507 A CB -1.362 17.670 19.000 0.053 0.000 0.842 507 A HN 0.141 nan 8.150 nan 0.000 0.444 508 E N -0.790 119.453 120.200 0.072 0.000 2.147 508 E HA -0.173 4.178 4.350 0.001 0.000 0.199 508 E C 2.089 178.715 176.600 0.044 0.000 1.005 508 E CA 1.763 58.193 56.400 0.050 0.000 0.810 508 E CB -0.339 29.381 29.700 0.035 0.000 0.736 508 E HN 0.659 nan 8.360 nan 0.000 0.460 509 T N 0.179 114.779 114.554 0.077 0.000 2.643 509 T HA -0.159 4.191 4.350 0.001 0.000 0.264 509 T C 2.112 176.814 174.700 0.002 0.000 1.045 509 T CA 1.365 63.451 62.100 -0.024 0.000 1.155 509 T CB -0.362 68.436 68.868 -0.118 0.000 0.863 509 T HN 0.073 nan 8.240 nan 0.000 0.420 510 S N 0.972 116.818 115.700 0.243 0.000 2.378 510 S HA -0.178 4.292 4.470 0.001 0.000 0.229 510 S C 2.321 176.978 174.600 0.095 0.000 1.052 510 S CA 1.412 59.748 58.200 0.227 0.000 1.084 510 S CB -0.891 62.456 63.200 0.245 0.000 0.950 510 S HN 0.298 nan 8.310 nan 0.000 0.440 511 V N 2.548 122.507 119.914 0.075 0.000 2.250 511 V HA -0.306 3.814 4.120 0.001 0.000 0.253 511 V C 2.648 178.756 176.094 0.024 0.000 1.065 511 V CA 2.006 64.333 62.300 0.045 0.000 1.039 511 V CB -0.747 31.096 31.823 0.032 0.000 0.647 511 V HN 0.393 nan 8.190 nan 0.000 0.446 512 R N -0.229 120.265 120.500 -0.010 0.000 2.070 512 R HA -0.059 4.281 4.340 0.001 0.000 0.233 512 R C 2.281 178.562 176.300 -0.031 0.000 1.137 512 R CA 1.499 57.576 56.100 -0.037 0.000 0.945 512 R CB -1.125 29.116 30.300 -0.099 0.000 0.845 512 R HN 0.452 nan 8.270 nan 0.000 0.430 513 L N 0.849 122.033 121.223 -0.064 0.000 2.079 513 L HA -0.140 4.200 4.340 0.001 0.000 0.210 513 L C 2.656 179.587 176.870 0.101 0.000 1.081 513 L CA 1.093 55.918 54.840 -0.024 0.000 0.752 513 L CB -0.427 41.592 42.059 -0.065 0.000 0.896 513 L HN 0.071 nan 8.230 nan 0.000 0.433 514 R N 0.362 120.916 120.500 0.089 0.000 2.170 514 R HA -0.133 4.207 4.340 0.001 0.000 0.242 514 R C 1.829 178.193 176.300 0.106 0.000 1.145 514 R CA 1.386 57.547 56.100 0.102 0.000 0.984 514 R CB -0.757 29.591 30.300 0.080 0.000 0.869 514 R HN 0.360 nan 8.270 nan 0.000 0.455 515 A N -1.248 121.636 122.820 0.106 0.000 2.327 515 A HA 0.012 4.332 4.320 0.001 0.000 0.228 515 A C 1.223 178.914 177.584 0.177 0.000 1.275 515 A CA 0.004 52.107 52.037 0.110 0.000 0.875 515 A CB -0.213 18.837 19.000 0.084 0.000 0.925 515 A HN 0.392 nan 8.150 nan 0.000 0.493 516 Y N -0.924 119.393 120.300 0.029 0.000 2.664 516 Y HA 0.135 4.685 4.550 0.001 0.000 0.278 516 Y C 1.642 177.578 175.900 0.059 0.000 1.130 516 Y CA 0.094 58.218 58.100 0.039 0.000 1.260 516 Y CB 0.387 38.867 38.460 0.032 0.000 1.369 516 Y HN 0.176 nan 8.280 nan 0.000 0.499 517 L N 0.838 122.167 121.223 0.176 0.000 2.079 517 L HA -0.217 4.123 4.340 0.001 0.000 0.210 517 L C 1.480 178.359 176.870 0.015 0.000 1.081 517 L CA 1.537 56.423 54.840 0.077 0.000 0.752 517 L CB -1.835 40.283 42.059 0.097 0.000 0.896 517 L HN 0.349 nan 8.230 nan 0.000 0.433 518 N N 0.461 119.184 118.700 0.039 0.000 2.004 518 N HA -0.123 4.618 4.740 0.001 0.000 0.196 518 N C 0.864 176.374 175.510 0.001 0.000 1.064 518 N CA 1.370 54.435 53.050 0.025 0.000 0.855 518 N CB -0.981 37.533 38.487 0.045 0.000 1.056 518 N HN 0.474 nan 8.380 nan 0.000 0.423 519 T N 0.545 115.098 114.554 -0.000 0.000 2.891 519 T HA 0.151 4.502 4.350 0.001 0.000 0.296 519 T C -2.614 172.065 174.700 -0.035 0.000 1.025 519 T CA -1.111 60.988 62.100 -0.001 0.000 1.149 519 T CB 0.615 69.484 68.868 0.002 0.000 1.007 519 T HN 0.010 nan 8.240 nan 0.000 0.528 520 P HA 0.546 nan 4.420 nan 0.000 0.292 520 P C 1.005 178.313 177.300 0.014 0.000 1.287 520 P CA 0.088 63.176 63.100 -0.020 0.000 0.800 520 P CB 1.169 32.848 31.700 -0.036 0.000 0.945 521 G N 1.911 110.710 108.800 -0.000 0.000 2.380 521 G HA2 -0.147 3.813 3.960 0.001 0.000 0.197 521 G HA3 -0.147 3.813 3.960 0.001 0.000 0.197 521 G C -0.267 174.700 174.900 0.112 0.000 1.001 521 G CA -0.517 44.635 45.100 0.087 0.000 0.668 521 G HN 0.420 nan 8.290 nan 0.000 0.483 522 L N 2.008 123.222 121.223 -0.015 0.000 2.357 522 L HA 0.490 4.830 4.340 0.001 0.000 0.273 522 L C -1.589 175.229 176.870 -0.087 0.000 1.080 522 L CA -2.079 52.695 54.840 -0.111 0.000 0.803 522 L CB 0.829 42.594 42.059 -0.490 0.000 1.174 522 L HN -0.096 nan 8.230 nan 0.000 0.443 523 P HA -0.089 nan 4.420 nan 0.000 0.272 523 P C -0.879 176.371 177.300 -0.083 0.000 1.210 523 P CA -0.022 63.124 63.100 0.078 0.000 0.789 523 P CB 0.316 32.211 31.700 0.326 0.000 0.849 524 V N -1.100 118.679 119.914 -0.225 0.000 2.975 524 V HA 0.852 4.972 4.120 0.001 0.000 0.318 524 V C 0.055 175.760 176.094 -0.649 0.000 1.077 524 V CA -0.744 61.360 62.300 -0.328 0.000 1.000 524 V CB 1.245 32.952 31.823 -0.193 0.000 1.066 524 V HN 0.998 nan 8.190 nan 0.000 0.452 525 C N 1.170 120.171 119.300 -0.497 0.000 3.306 525 C HA 0.564 5.024 4.460 0.001 0.000 0.335 525 C C -0.809 174.051 174.990 -0.217 0.000 1.382 525 C CA -0.697 58.030 59.018 -0.485 0.000 1.254 525 C CB 1.096 28.413 27.740 -0.704 0.000 1.555 525 C HN 1.035 nan 8.230 nan 0.000 0.463 526 Q N 1.462 121.143 119.800 -0.198 0.000 2.313 526 Q HA 0.200 4.541 4.340 0.001 0.000 0.266 526 Q C -0.310 175.647 176.000 -0.073 0.000 0.989 526 Q CA 0.305 56.011 55.803 -0.162 0.000 0.890 526 Q CB 0.773 29.305 28.738 -0.344 0.000 1.200 526 Q HN 0.692 nan 8.270 nan 0.000 0.396 527 D N 2.646 123.098 120.400 0.087 0.000 2.441 527 D HA -0.039 4.602 4.640 0.001 0.000 0.243 527 D C -0.121 176.394 176.300 0.359 0.000 1.257 527 D CA 0.371 54.480 54.000 0.182 0.000 1.027 527 D CB 0.026 40.906 40.800 0.133 0.000 1.084 527 D HN 0.618 nan 8.370 nan 0.000 0.514 528 H N 2.722 121.936 119.070 0.240 0.000 2.542 528 H HA 0.128 4.684 4.556 0.001 0.000 0.283 528 H C 1.871 177.407 175.328 0.347 0.000 1.059 528 H CA -0.377 55.844 56.048 0.289 0.000 1.162 528 H CB 1.033 31.067 29.762 0.453 0.000 1.539 528 H HN 0.309 nan 8.280 nan 0.000 0.543 529 L N 0.563 122.038 121.223 0.420 0.000 2.051 529 L HA -0.259 4.081 4.340 0.001 0.000 0.214 529 L C 2.425 179.440 176.870 0.243 0.000 1.076 529 L CA 1.622 56.689 54.840 0.379 0.000 0.758 529 L CB -0.236 41.993 42.059 0.284 0.000 0.890 529 L HN 0.333 nan 8.230 nan 0.000 0.433 530 E N -0.327 119.977 120.200 0.173 0.000 2.106 530 E HA -0.231 4.120 4.350 0.001 0.000 0.192 530 E C 1.861 178.499 176.600 0.064 0.000 0.984 530 E CA 1.000 57.453 56.400 0.088 0.000 0.806 530 E CB -0.098 29.642 29.700 0.066 0.000 0.750 530 E HN 0.371 nan 8.360 nan 0.000 0.458 531 F N -0.638 119.254 119.950 -0.097 0.000 2.039 531 F HA -0.093 4.434 4.527 0.001 0.000 0.294 531 F C 1.539 177.202 175.800 -0.229 0.000 1.130 531 F CA 1.513 59.363 58.000 -0.250 0.000 1.189 531 F CB -0.999 37.711 39.000 -0.483 0.000 0.983 531 F HN 0.086 nan 8.300 nan 0.000 0.471 532 W N 1.268 122.292 121.300 -0.460 0.000 2.341 532 W HA -0.186 4.474 4.660 0.001 0.000 0.283 532 W C 2.627 178.656 176.519 -0.816 0.000 1.215 532 W CA 1.500 58.439 57.345 -0.675 0.000 1.211 532 W CB -0.389 28.937 29.460 -0.223 0.000 1.131 532 W HN 0.233 nan 8.180 nan 0.000 0.552 533 E N 0.439 120.306 120.200 -0.555 0.000 2.047 533 E HA -0.223 4.127 4.350 0.001 0.000 0.191 533 E C 2.350 178.816 176.600 -0.224 0.000 0.987 533 E CA 1.877 57.909 56.400 -0.613 0.000 0.799 533 E CB -0.232 29.261 29.700 -0.345 0.000 0.752 533 E HN 0.231 nan 8.360 nan 0.000 0.449 534 S N 0.437 116.051 115.700 -0.144 0.000 2.365 534 S HA -0.195 4.275 4.470 0.001 0.000 0.221 534 S C 2.105 176.756 174.600 0.086 0.000 1.037 534 S CA 1.698 59.889 58.200 -0.015 0.000 1.060 534 S CB -1.143 62.033 63.200 -0.039 0.000 0.974 534 S HN 0.187 nan 8.310 nan 0.000 0.427 535 V N 0.494 120.381 119.914 -0.046 0.000 2.764 535 V HA -0.162 3.958 4.120 0.001 0.000 0.261 535 V C 1.983 178.276 176.094 0.332 0.000 1.108 535 V CA 1.858 64.239 62.300 0.135 0.000 1.129 535 V CB -1.305 30.512 31.823 -0.011 0.000 0.701 535 V HN 0.413 nan 8.190 nan 0.000 0.495 536 F N -0.051 119.894 119.950 -0.008 0.000 2.399 536 F HA 0.058 4.586 4.527 0.001 0.000 0.282 536 F C 2.492 178.280 175.800 -0.020 0.000 1.027 536 F CA 1.148 59.141 58.000 -0.011 0.000 1.333 536 F CB -1.164 37.784 39.000 -0.088 0.000 1.132 536 F HN -0.013 nan 8.300 nan 0.000 0.590 537 T N -0.314 114.343 114.554 0.172 0.000 2.760 537 T HA -0.204 4.146 4.350 0.001 0.000 0.269 537 T C 2.231 176.925 174.700 -0.010 0.000 1.047 537 T CA 1.513 63.660 62.100 0.077 0.000 1.139 537 T CB -0.957 67.956 68.868 0.074 0.000 0.855 537 T HN 0.420 nan 8.240 nan 0.000 0.471 538 G N 1.117 109.902 108.800 -0.026 0.000 2.430 538 G HA2 0.063 4.023 3.960 0.001 0.000 0.216 538 G HA3 0.063 4.023 3.960 0.001 0.000 0.216 538 G C 0.656 175.365 174.900 -0.319 0.000 1.146 538 G CA -0.132 44.741 45.100 -0.379 0.000 0.793 538 G HN 0.480 nan 8.290 nan 0.000 0.537 539 L N 2.327 123.403 121.223 -0.245 0.000 2.400 539 L HA 0.230 4.570 4.340 0.001 0.000 0.262 539 L C 0.684 177.593 176.870 0.064 0.000 1.309 539 L CA -0.332 54.244 54.840 -0.441 0.000 1.186 539 L CB -0.386 41.407 42.059 -0.444 0.000 1.375 539 L HN 0.033 nan 8.230 nan 0.000 0.433 540 T N -0.226 114.395 114.554 0.112 0.000 2.938 540 T HA 0.333 4.683 4.350 0.001 0.000 0.285 540 T C 0.275 175.025 174.700 0.084 0.000 1.028 540 T CA -0.340 61.778 62.100 0.029 0.000 1.005 540 T CB 0.569 69.197 68.868 -0.400 0.000 1.157 540 T HN 0.643 nan 8.240 nan 0.000 0.550 541 H N -0.481 118.696 119.070 0.178 0.000 2.770 541 H HA -0.138 4.418 4.556 0.001 0.000 0.309 541 H C 0.187 175.473 175.328 -0.071 0.000 1.206 541 H CA 0.458 56.538 56.048 0.053 0.000 1.147 541 H CB -2.140 27.641 29.762 0.031 0.000 1.422 541 H HN 0.610 nan 8.280 nan 0.000 0.420 542 I N 0.981 121.562 120.570 0.019 0.000 2.813 542 I HA -0.051 4.120 4.170 0.001 0.000 0.287 542 I C 0.874 176.887 176.117 -0.174 0.000 1.196 542 I CA 0.211 61.372 61.300 -0.232 0.000 1.421 542 I CB 0.443 38.275 38.000 -0.281 0.000 1.365 542 I HN 0.205 nan 8.210 nan 0.000 0.591 543 D N 5.969 126.231 120.400 -0.230 0.000 2.455 543 D HA 0.221 4.861 4.640 0.001 0.000 0.234 543 D C 1.204 177.373 176.300 -0.219 0.000 1.224 543 D CA 0.631 54.466 54.000 -0.276 0.000 0.999 543 D CB 0.803 41.272 40.800 -0.551 0.000 1.072 543 D HN 0.646 nan 8.370 nan 0.000 0.514 544 A N 3.734 126.475 122.820 -0.131 0.000 2.001 544 A HA -0.361 3.960 4.320 0.001 0.000 0.224 544 A C 1.935 179.488 177.584 -0.051 0.000 1.203 544 A CA 2.333 54.326 52.037 -0.074 0.000 0.667 544 A CB -0.968 18.009 19.000 -0.039 0.000 0.823 544 A HN 0.857 nan 8.150 nan 0.000 0.473 545 H N -1.054 117.903 119.070 -0.189 0.000 2.253 545 H HA -0.149 4.408 4.556 0.001 0.000 0.296 545 H C 1.749 177.080 175.328 0.006 0.000 1.074 545 H CA 2.103 58.068 56.048 -0.137 0.000 1.263 545 H CB -0.973 28.642 29.762 -0.245 0.000 1.363 545 H HN 0.506 nan 8.280 nan 0.000 0.489 546 F N 0.132 119.801 119.950 -0.470 0.000 2.087 546 F HA -0.285 4.243 4.527 0.001 0.000 0.299 546 F C 2.812 178.430 175.800 -0.304 0.000 1.100 546 F CA 0.580 58.303 58.000 -0.463 0.000 1.226 546 F CB -0.348 38.497 39.000 -0.258 0.000 0.983 546 F HN 0.282 nan 8.300 nan 0.000 0.479 547 L N 0.250 121.444 121.223 -0.049 0.000 1.956 547 L HA -0.262 4.079 4.340 0.001 0.000 0.216 547 L C 2.570 179.359 176.870 -0.135 0.000 1.073 547 L CA 2.371 57.137 54.840 -0.123 0.000 0.762 547 L CB -1.452 40.524 42.059 -0.139 0.000 0.889 547 L HN 0.201 nan 8.230 nan 0.000 0.433 548 S N -0.797 114.842 115.700 -0.101 0.000 2.374 548 S HA -0.323 4.147 4.470 0.001 0.000 0.227 548 S C 1.984 176.552 174.600 -0.054 0.000 1.037 548 S CA 1.988 60.141 58.200 -0.079 0.000 1.024 548 S CB -0.243 62.953 63.200 -0.008 0.000 0.861 548 S HN 0.645 nan 8.310 nan 0.000 0.456 549 Q N 0.468 120.232 119.800 -0.060 0.000 2.045 549 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 549 Q C 2.181 178.156 176.000 -0.040 0.000 0.991 549 Q CA 2.940 58.718 55.803 -0.042 0.000 0.851 549 Q CB -0.805 27.837 28.738 -0.160 0.000 0.911 549 Q HN 0.794 nan 8.270 nan 0.000 0.418 550 T N -1.308 113.202 114.554 -0.074 0.000 2.737 550 T HA -0.123 4.227 4.350 0.001 0.000 0.265 550 T C 1.647 176.323 174.700 -0.040 0.000 1.038 550 T CA 1.301 63.364 62.100 -0.063 0.000 1.144 550 T CB -0.325 68.495 68.868 -0.080 0.000 0.866 550 T HN 0.270 nan 8.240 nan 0.000 0.434 551 K N 1.414 121.735 120.400 -0.133 0.000 2.020 551 K HA -0.150 4.170 4.320 0.001 0.000 0.212 551 K C 2.447 179.123 176.600 0.127 0.000 1.050 551 K CA 1.800 57.964 56.287 -0.206 0.000 0.929 551 K CB -0.369 31.732 32.500 -0.666 0.000 0.714 551 K HN 0.527 nan 8.250 nan 0.000 0.443 552 Q N -0.364 119.474 119.800 0.064 0.000 2.547 552 Q HA 0.008 4.349 4.340 0.001 0.000 0.217 552 Q C 1.153 177.205 176.000 0.087 0.000 0.978 552 Q CA 0.256 56.123 55.803 0.108 0.000 0.962 552 Q CB 0.207 28.987 28.738 0.071 0.000 0.990 552 Q HN 0.319 nan 8.270 nan 0.000 0.538 553 A N -0.835 122.033 122.820 0.080 0.000 2.259 553 A HA 0.420 4.740 4.320 0.001 0.000 0.213 553 A C 1.492 179.110 177.584 0.057 0.000 1.209 553 A CA 0.565 52.632 52.037 0.050 0.000 0.910 553 A CB 0.394 19.401 19.000 0.011 0.000 0.946 553 A HN 0.380 nan 8.150 nan 0.000 0.497 554 G N 0.199 109.062 108.800 0.105 0.000 2.176 554 G HA2 -0.216 3.745 3.960 0.001 0.000 0.253 554 G HA3 -0.216 3.745 3.960 0.001 0.000 0.253 554 G C -0.397 174.540 174.900 0.062 0.000 0.979 554 G CA 0.139 45.291 45.100 0.086 0.000 0.641 554 G HN 0.477 nan 8.290 nan 0.000 0.530 555 D N 0.558 120.990 120.400 0.053 0.000 2.533 555 D HA 0.044 4.684 4.640 0.001 0.000 0.236 555 D C 1.476 177.804 176.300 0.047 0.000 1.137 555 D CA -0.142 53.870 54.000 0.020 0.000 0.867 555 D CB 0.497 41.284 40.800 -0.022 0.000 1.170 555 D HN 0.087 nan 8.370 nan 0.000 0.474 556 N N 1.174 119.890 118.700 0.026 0.000 2.043 556 N HA -0.149 4.591 4.740 0.001 0.000 0.193 556 N C 0.202 175.613 175.510 -0.165 0.000 1.037 556 N CA 0.990 54.002 53.050 -0.064 0.000 0.851 556 N CB -0.026 38.447 38.487 -0.023 0.000 1.027 556 N HN 0.347 nan 8.380 nan 0.000 0.422 557 F N 1.268 121.252 119.950 0.056 0.000 2.334 557 F HA 0.324 4.852 4.527 0.001 0.000 0.343 557 F C -1.383 174.475 175.800 0.096 0.000 1.136 557 F CA -2.011 56.045 58.000 0.093 0.000 1.237 557 F CB 1.521 40.569 39.000 0.079 0.000 1.525 557 F HN 0.024 nan 8.300 nan 0.000 0.528 558 P HA -0.285 nan 4.420 nan 0.000 0.214 558 P C 1.710 179.081 177.300 0.118 0.000 1.163 558 P CA 1.772 64.930 63.100 0.098 0.000 0.883 558 P CB 0.074 31.782 31.700 0.013 0.000 0.788 559 Y N 0.320 120.672 120.300 0.087 0.000 2.352 559 Y HA -0.089 4.461 4.550 0.001 0.000 0.292 559 Y C 2.511 178.512 175.900 0.168 0.000 1.136 559 Y CA 1.171 59.333 58.100 0.103 0.000 1.227 559 Y CB -0.647 37.881 38.460 0.114 0.000 0.991 559 Y HN -0.219 nan 8.280 nan 0.000 0.545 560 L N -1.858 119.597 121.223 0.386 0.000 2.162 560 L HA -0.135 4.205 4.340 0.001 0.000 0.205 560 L C 2.173 179.292 176.870 0.414 0.000 1.086 560 L CA 0.502 55.576 54.840 0.391 0.000 0.778 560 L CB -0.526 41.692 42.059 0.266 0.000 0.928 560 L HN 0.036 nan 8.230 nan 0.000 0.446 561 V N 0.239 120.313 119.914 0.267 0.000 2.427 561 V HA -0.234 3.887 4.120 0.001 0.000 0.248 561 V C 2.713 178.910 176.094 0.173 0.000 1.051 561 V CA 1.745 64.136 62.300 0.152 0.000 1.048 561 V CB -0.652 31.106 31.823 -0.109 0.000 0.666 561 V HN 0.447 nan 8.190 nan 0.000 0.456 562 A N -1.304 121.557 122.820 0.069 0.000 1.897 562 A HA -0.222 4.099 4.320 0.001 0.000 0.215 562 A C 2.141 179.733 177.584 0.014 0.000 1.181 562 A CA 1.694 53.731 52.037 -0.000 0.000 0.620 562 A CB -0.734 18.209 19.000 -0.095 0.000 0.821 562 A HN 0.581 nan 8.150 nan 0.000 0.443 563 Y N -0.096 120.169 120.300 -0.059 0.000 2.181 563 Y HA -0.237 4.314 4.550 0.001 0.000 0.288 563 Y C 2.590 178.464 175.900 -0.044 0.000 1.146 563 Y CA 2.039 60.106 58.100 -0.055 0.000 1.164 563 Y CB -0.005 38.429 38.460 -0.043 0.000 0.982 563 Y HN 0.417 nan 8.280 nan 0.000 0.515 564 Q N 0.317 120.235 119.800 0.197 0.000 2.437 564 Q HA -0.073 4.267 4.340 0.001 0.000 0.210 564 Q C 1.736 177.683 176.000 -0.088 0.000 0.972 564 Q CA 1.223 57.019 55.803 -0.011 0.000 0.903 564 Q CB -0.219 28.533 28.738 0.023 0.000 0.967 564 Q HN 0.509 nan 8.270 nan 0.000 0.486 565 A N -1.305 121.514 122.820 -0.002 0.000 1.871 565 A HA -0.012 4.308 4.320 0.001 0.000 0.211 565 A C 2.177 179.679 177.584 -0.136 0.000 1.207 565 A CA 1.280 53.202 52.037 -0.192 0.000 0.620 565 A CB -0.775 17.999 19.000 -0.377 0.000 0.860 565 A HN 0.415 nan 8.150 nan 0.000 0.450 566 T N -0.170 114.404 114.554 0.032 0.000 2.653 566 T HA -0.208 4.142 4.350 0.001 0.000 0.268 566 T C 1.811 176.496 174.700 -0.025 0.000 1.035 566 T CA 1.938 64.112 62.100 0.124 0.000 1.154 566 T CB -0.696 68.012 68.868 -0.266 0.000 0.862 566 T HN 0.286 nan 8.240 nan 0.000 0.441 567 V N 0.010 119.853 119.914 -0.119 0.000 2.667 567 V HA -0.100 4.020 4.120 0.001 0.000 0.252 567 V C 2.526 178.584 176.094 -0.059 0.000 1.065 567 V CA 1.309 63.571 62.300 -0.063 0.000 1.083 567 V CB -0.793 30.964 31.823 -0.110 0.000 0.692 567 V HN 0.692 nan 8.190 nan 0.000 0.468 568 C N 0.264 119.497 119.300 -0.113 0.000 2.436 568 C HA -0.008 4.453 4.460 0.001 0.000 0.277 568 C C 3.069 178.024 174.990 -0.059 0.000 1.241 568 C CA 1.279 60.208 59.018 -0.149 0.000 1.721 568 C CB -1.197 26.375 27.740 -0.281 0.000 2.043 568 C HN 0.716 nan 8.230 nan 0.000 0.472 569 A N -0.024 122.806 122.820 0.017 0.000 1.855 569 A HA -0.168 4.152 4.320 0.001 0.000 0.215 569 A C 2.084 179.710 177.584 0.070 0.000 1.191 569 A CA 1.918 54.013 52.037 0.097 0.000 0.613 569 A CB -0.693 18.488 19.000 0.301 0.000 0.829 569 A HN 0.529 nan 8.150 nan 0.000 0.442 570 R N -0.012 120.530 120.500 0.069 0.000 2.174 570 R HA -0.177 4.163 4.340 0.001 0.000 0.253 570 R C 1.619 177.946 176.300 0.046 0.000 1.165 570 R CA 1.923 58.050 56.100 0.044 0.000 0.984 570 R CB -0.547 29.776 30.300 0.038 0.000 0.873 570 R HN 0.466 nan 8.270 nan 0.000 0.456 571 A N -1.071 121.777 122.820 0.046 0.000 2.387 571 A HA 0.171 4.491 4.320 0.001 0.000 0.234 571 A C -0.259 177.337 177.584 0.019 0.000 1.253 571 A CA -0.008 52.055 52.037 0.044 0.000 0.894 571 A CB 0.328 19.373 19.000 0.075 0.000 0.963 571 A HN 0.316 nan 8.150 nan 0.000 0.508 572 Q N -1.849 117.958 119.800 0.011 0.000 2.487 572 Q HA -0.210 4.130 4.340 0.001 0.000 0.279 572 Q C -0.006 175.976 176.000 -0.030 0.000 1.228 572 Q CA 1.079 56.879 55.803 -0.004 0.000 0.873 572 Q CB -2.757 25.986 28.738 0.007 0.000 1.260 572 Q HN 1.299 nan 8.270 nan 0.000 0.471 573 A N 0.365 123.154 122.820 -0.051 0.000 2.435 573 A HA 0.845 5.165 4.320 0.001 0.000 0.304 573 A C -2.397 175.095 177.584 -0.154 0.000 1.064 573 A CA -1.499 50.487 52.037 -0.085 0.000 0.727 573 A CB 1.707 20.661 19.000 -0.076 0.000 1.284 573 A HN -0.033 nan 8.150 nan 0.000 0.415 574 P HA 0.210 nan 4.420 nan 0.000 0.269 574 P C -2.670 174.272 177.300 -0.596 0.000 1.215 574 P CA -0.790 62.109 63.100 -0.334 0.000 0.780 574 P CB 0.034 31.588 31.700 -0.242 0.000 0.898 575 P HA 0.136 nan 4.420 nan 0.000 0.272 575 P C -2.066 174.543 177.300 -1.152 0.000 1.240 575 P CA -1.474 60.855 63.100 -1.284 0.000 0.791 575 P CB -0.620 30.038 31.700 -1.737 0.000 0.978 576 P HA -0.200 nan 4.420 nan 0.000 0.210 576 P C 0.904 177.907 177.300 -0.494 0.000 1.151 576 P CA 2.103 64.866 63.100 -0.562 0.000 0.949 576 P CB -0.289 31.213 31.700 -0.331 0.000 0.786 577 S N -3.321 112.149 115.700 -0.383 0.000 2.801 577 S HA 0.363 4.834 4.470 0.001 0.000 0.312 577 S C -0.565 173.902 174.600 -0.222 0.000 1.112 577 S CA -0.758 57.323 58.200 -0.199 0.000 0.943 577 S CB 0.343 63.586 63.200 0.072 0.000 1.269 577 S HN 0.145 nan 8.310 nan 0.000 0.558 578 W N 1.000 122.396 121.300 0.161 0.000 2.764 578 W HA 0.352 5.012 4.660 0.001 0.000 0.427 578 W C -0.557 176.086 176.519 0.206 0.000 0.896 578 W CA -0.687 56.773 57.345 0.192 0.000 2.307 578 W CB 0.256 29.770 29.460 0.090 0.000 1.192 578 W HN 0.550 nan 8.180 nan 0.000 0.731 579 D N 0.588 121.242 120.400 0.423 0.000 2.390 579 D HA -0.092 4.548 4.640 0.001 0.000 0.236 579 D C 0.903 177.308 176.300 0.174 0.000 1.189 579 D CA 0.522 54.662 54.000 0.233 0.000 0.887 579 D CB 0.813 41.698 40.800 0.141 0.000 1.198 579 D HN 0.150 nan 8.370 nan 0.000 0.444 580 Q N 0.477 120.331 119.800 0.090 0.000 2.401 580 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 580 Q C 1.042 177.015 176.000 -0.044 0.000 0.914 580 Q CA 0.221 56.054 55.803 0.050 0.000 1.006 580 Q CB -0.062 28.696 28.738 0.034 0.000 1.041 580 Q HN 0.461 nan 8.270 nan 0.000 0.501 581 M N -2.303 117.199 119.600 -0.164 0.000 2.638 581 M HA 0.049 4.529 4.480 0.001 0.000 0.256 581 M C 0.276 176.222 176.300 -0.590 0.000 1.282 581 M CA 0.477 55.507 55.300 -0.450 0.000 1.155 581 M CB 0.512 32.693 32.600 -0.699 0.000 1.345 581 M HN 0.245 nan 8.290 nan 0.000 0.523 582 W N 1.065 122.394 121.300 0.049 0.000 3.290 582 W HA 0.207 4.867 4.660 0.001 0.000 0.287 582 W C 1.892 178.472 176.519 0.101 0.000 1.288 582 W CA -0.349 57.011 57.345 0.024 0.000 1.725 582 W CB 0.022 29.472 29.460 -0.017 0.000 1.103 582 W HN 0.131 nan 8.180 nan 0.000 0.670 583 K N 1.547 122.091 120.400 0.239 0.000 2.248 583 K HA -0.338 3.982 4.320 0.001 0.000 0.208 583 K C 1.534 178.227 176.600 0.155 0.000 1.044 583 K CA 2.287 58.681 56.287 0.178 0.000 0.933 583 K CB -0.890 31.662 32.500 0.086 0.000 0.723 583 K HN 0.444 nan 8.250 nan 0.000 0.475 584 C N 0.003 119.367 119.300 0.105 0.000 2.485 584 C HA 0.181 4.641 4.460 0.001 0.000 0.283 584 C C 1.213 176.260 174.990 0.097 0.000 1.478 584 C CA -0.475 58.585 59.018 0.070 0.000 1.741 584 C CB -1.346 26.343 27.740 -0.086 0.000 1.675 584 C HN 0.287 nan 8.230 nan 0.000 0.573 585 L N 1.041 122.374 121.223 0.184 0.000 2.556 585 L HA 0.398 4.739 4.340 0.001 0.000 0.243 585 L C 0.483 177.518 176.870 0.276 0.000 1.331 585 L CA -0.204 54.777 54.840 0.234 0.000 0.927 585 L CB 0.403 42.596 42.059 0.222 0.000 1.219 585 L HN 0.127 nan 8.230 nan 0.000 0.490 586 I N -0.665 119.978 120.570 0.121 0.000 3.873 586 I HA 0.125 4.295 4.170 0.001 0.000 0.284 586 I C 2.217 178.327 176.117 -0.012 0.000 1.186 586 I CA 0.211 61.491 61.300 -0.034 0.000 1.362 586 I CB -0.235 37.732 38.000 -0.054 0.000 1.432 586 I HN 0.463 nan 8.210 nan 0.000 0.454 587 R N 1.222 121.749 120.500 0.045 0.000 2.249 587 R HA -0.011 4.330 4.340 0.001 0.000 0.230 587 R C 1.821 178.146 176.300 0.042 0.000 1.121 587 R CA 0.914 57.038 56.100 0.039 0.000 0.997 587 R CB -0.300 30.037 30.300 0.062 0.000 0.867 587 R HN 0.382 nan 8.270 nan 0.000 0.465 588 L N -0.315 120.949 121.223 0.069 0.000 2.638 588 L HA 0.068 4.408 4.340 0.001 0.000 0.232 588 L C 2.278 179.176 176.870 0.046 0.000 1.099 588 L CA -0.025 54.855 54.840 0.067 0.000 0.883 588 L CB -0.152 41.973 42.059 0.111 0.000 1.136 588 L HN -0.041 nan 8.230 nan 0.000 0.492 589 K N 1.430 121.852 120.400 0.037 0.000 2.127 589 K HA -0.239 4.082 4.320 0.001 0.000 0.212 589 K C -0.627 175.969 176.600 -0.008 0.000 1.050 589 K CA 2.098 58.399 56.287 0.022 0.000 0.929 589 K CB -0.939 31.442 32.500 -0.198 0.000 0.715 589 K HN 0.233 nan 8.250 nan 0.000 0.457 590 P HA -0.083 nan 4.420 nan 0.000 0.214 590 P C 0.488 177.725 177.300 -0.104 0.000 1.162 590 P CA 1.660 64.748 63.100 -0.021 0.000 0.879 590 P CB -0.270 31.430 31.700 0.000 0.000 0.786 591 T N -1.647 112.850 114.554 -0.095 0.000 4.099 591 T HA 0.363 4.713 4.350 0.001 0.000 0.223 591 T C -0.007 174.543 174.700 -0.251 0.000 0.968 591 T CA -0.010 62.004 62.100 -0.143 0.000 0.966 591 T CB -1.623 67.222 68.868 -0.038 0.000 1.328 591 T HN -0.098 nan 8.240 nan 0.000 0.783 592 L N 2.752 123.668 121.223 -0.512 0.000 2.611 592 L HA 0.451 4.791 4.340 0.001 0.000 0.263 592 L C -0.662 175.920 176.870 -0.481 0.000 0.969 592 L CA -0.800 53.824 54.840 -0.360 0.000 0.894 592 L CB 1.497 43.511 42.059 -0.076 0.000 1.229 592 L HN 0.436 nan 8.230 nan 0.000 0.416 593 H N 1.339 120.426 119.070 0.029 0.000 3.043 593 H HA 0.746 5.303 4.556 0.001 0.000 0.302 593 H C 0.237 175.562 175.328 -0.006 0.000 1.506 593 H CA -0.273 55.786 56.048 0.018 0.000 1.282 593 H CB 1.760 31.532 29.762 0.016 0.000 1.914 593 H HN 0.629 nan 8.280 nan 0.000 0.625 594 G N 0.953 109.838 108.800 0.141 0.000 2.880 594 G HA2 -0.170 3.790 3.960 0.001 0.000 0.617 594 G HA3 -0.170 3.790 3.960 0.001 0.000 0.617 594 G C -2.690 172.208 174.900 -0.002 0.000 1.493 594 G CA -0.614 44.517 45.100 0.051 0.000 0.916 594 G HN 0.528 nan 8.290 nan 0.000 0.553 595 P HA 0.310 nan 4.420 nan 0.000 0.274 595 P C 0.312 177.560 177.300 -0.086 0.000 1.231 595 P CA 0.071 63.138 63.100 -0.054 0.000 0.790 595 P CB 0.684 32.360 31.700 -0.040 0.000 0.951 596 T N 4.031 118.502 114.554 -0.138 0.000 2.901 596 T HA 0.210 4.560 4.350 0.001 0.000 0.301 596 T C -1.882 172.727 174.700 -0.152 0.000 1.012 596 T CA -0.852 61.133 62.100 -0.192 0.000 1.135 596 T CB -0.132 68.565 68.868 -0.284 0.000 0.936 596 T HN 0.383 nan 8.240 nan 0.000 0.539 597 P HA 0.180 nan 4.420 nan 0.000 0.241 597 P C -0.512 176.666 177.300 -0.204 0.000 1.780 597 P CA -0.674 62.361 63.100 -0.108 0.000 1.111 597 P CB 0.084 31.761 31.700 -0.038 0.000 1.852 598 L N 4.114 125.228 121.223 -0.183 0.000 2.678 598 L HA 0.020 4.360 4.340 0.001 0.000 0.276 598 L C 1.262 177.980 176.870 -0.253 0.000 1.142 598 L CA 0.331 55.039 54.840 -0.219 0.000 0.961 598 L CB -0.644 41.326 42.059 -0.148 0.000 1.291 598 L HN 0.288 nan 8.230 nan 0.000 0.476 599 L N 6.147 127.113 121.223 -0.427 0.000 2.270 599 L HA 0.032 4.373 4.340 0.001 0.000 0.210 599 L C -0.537 176.047 176.870 -0.478 0.000 1.104 599 L CA 0.178 54.703 54.840 -0.525 0.000 0.804 599 L CB -0.290 41.271 42.059 -0.830 0.000 0.937 599 L HN 0.710 nan 8.230 nan 0.000 0.450 600 Y N -3.604 116.556 120.300 -0.234 0.000 2.554 600 Y HA 0.353 4.903 4.550 0.001 0.000 0.338 600 Y C -0.867 174.934 175.900 -0.164 0.000 1.247 600 Y CA -2.086 55.786 58.100 -0.380 0.000 1.255 600 Y CB 0.118 38.066 38.460 -0.854 0.000 1.346 600 Y HN -0.205 nan 8.280 nan 0.000 0.481 601 R N 3.176 123.746 120.500 0.115 0.000 2.345 601 R HA 0.256 4.597 4.340 0.001 0.000 0.331 601 R C 0.032 176.469 176.300 0.228 0.000 1.067 601 R CA -0.111 56.081 56.100 0.153 0.000 0.962 601 R CB 0.710 31.075 30.300 0.109 0.000 0.987 601 R HN 1.038 nan 8.270 nan 0.000 0.451 602 L N 0.964 122.348 121.223 0.269 0.000 2.817 602 L HA 0.297 4.638 4.340 0.001 0.000 0.248 602 L C 0.561 177.531 176.870 0.167 0.000 1.133 602 L CA 0.177 55.145 54.840 0.213 0.000 0.935 602 L CB 0.610 42.841 42.059 0.286 0.000 1.266 602 L HN 0.683 nan 8.230 nan 0.000 0.535 603 G N -0.512 108.402 108.800 0.190 0.000 2.933 603 G HA2 0.555 4.516 3.960 0.001 0.000 0.203 603 G HA3 0.555 4.516 3.960 0.001 0.000 0.203 603 G C -1.403 173.581 174.900 0.140 0.000 1.170 603 G CA 0.014 45.210 45.100 0.160 0.000 0.880 603 G HN 0.015 nan 8.290 nan 0.000 0.573 604 A N 0.345 123.249 122.820 0.140 0.000 2.582 604 A HA 0.595 4.915 4.320 0.001 0.000 0.336 604 A C -0.047 177.587 177.584 0.084 0.000 1.445 604 A CA -0.418 51.679 52.037 0.101 0.000 0.997 604 A CB 0.452 19.505 19.000 0.089 0.000 1.148 604 A HN 1.380 nan 8.150 nan 0.000 0.514 605 V N 3.859 123.806 119.914 0.054 0.000 2.434 605 V HA 0.060 4.180 4.120 0.001 0.000 0.281 605 V C 0.208 176.294 176.094 -0.014 0.000 1.005 605 V CA 0.821 63.121 62.300 -0.001 0.000 1.089 605 V CB 0.165 31.976 31.823 -0.020 0.000 0.978 605 V HN 0.848 nan 8.190 nan 0.000 0.474 606 Q N 7.000 126.777 119.800 -0.039 0.000 2.773 606 Q HA 0.436 4.777 4.340 0.001 0.000 0.373 606 Q C -0.252 175.713 176.000 -0.059 0.000 0.940 606 Q CA -0.092 55.696 55.803 -0.026 0.000 1.015 606 Q CB 0.542 29.285 28.738 0.008 0.000 1.349 606 Q HN 0.879 nan 8.270 nan 0.000 0.413 607 N N 0.416 119.073 118.700 -0.072 0.000 3.265 607 N HA -0.006 4.734 4.740 0.001 0.000 0.235 607 N C -1.425 174.043 175.510 -0.071 0.000 1.343 607 N CA -0.425 52.576 53.050 -0.083 0.000 0.904 607 N CB 1.540 39.935 38.487 -0.153 0.000 1.492 607 N HN 0.315 nan 8.380 nan 0.000 0.504 608 E N 0.860 121.028 120.200 -0.053 0.000 2.413 608 E HA 0.290 4.640 4.350 0.001 0.000 0.263 608 E C 0.237 176.798 176.600 -0.064 0.000 1.015 608 E CA -0.358 56.015 56.400 -0.044 0.000 0.916 608 E CB 1.007 30.691 29.700 -0.028 0.000 0.947 608 E HN 0.397 nan 8.360 nan 0.000 0.440 609 V N 0.084 119.964 119.914 -0.057 0.000 3.156 609 V HA 0.754 4.874 4.120 0.001 0.000 0.311 609 V C -0.374 175.691 176.094 -0.048 0.000 1.208 609 V CA -1.095 61.164 62.300 -0.069 0.000 1.063 609 V CB 1.513 33.288 31.823 -0.080 0.000 1.098 609 V HN 0.758 nan 8.190 nan 0.000 0.452 610 I N -0.119 120.422 120.570 -0.049 0.000 3.174 610 I HA 0.555 4.725 4.170 0.001 0.000 0.313 610 I C -0.734 175.367 176.117 -0.026 0.000 1.155 610 I CA -0.755 60.529 61.300 -0.027 0.000 0.977 610 I CB 2.382 40.374 38.000 -0.013 0.000 1.248 610 I HN 0.612 nan 8.210 nan 0.000 0.453 611 L N 0.388 121.605 121.223 -0.009 0.000 3.519 611 L HA 0.175 4.515 4.340 0.001 0.000 0.323 611 L C 0.862 177.742 176.870 0.017 0.000 1.289 611 L CA -0.052 54.784 54.840 -0.006 0.000 1.039 611 L CB 0.281 42.332 42.059 -0.014 0.000 1.438 611 L HN 0.663 nan 8.230 nan 0.000 0.619 612 T N -4.582 109.988 114.554 0.027 0.000 3.086 612 T HA 0.114 4.465 4.350 0.001 0.000 0.250 612 T C 0.828 175.555 174.700 0.045 0.000 1.074 612 T CA -0.123 61.992 62.100 0.026 0.000 0.988 612 T CB -0.286 68.584 68.868 0.003 0.000 0.988 612 T HN 0.241 nan 8.240 nan 0.000 0.530 613 H N 2.862 121.920 119.070 -0.020 0.000 2.948 613 H HA 0.068 4.625 4.556 0.001 0.000 0.351 613 H C -1.777 173.556 175.328 0.009 0.000 1.079 613 H CA -1.174 54.867 56.048 -0.011 0.000 1.407 613 H CB 1.310 31.056 29.762 -0.027 0.000 1.373 613 H HN -0.047 nan 8.280 nan 0.000 0.605 614 P HA -0.163 nan 4.420 nan 0.000 0.218 614 P C 1.281 178.720 177.300 0.231 0.000 1.148 614 P CA 1.044 64.184 63.100 0.068 0.000 0.822 614 P CB 0.309 31.982 31.700 -0.044 0.000 0.784 615 I N -1.443 119.401 120.570 0.457 0.000 2.277 615 I HA -0.139 4.032 4.170 0.001 0.000 0.243 615 I C 2.205 178.424 176.117 0.170 0.000 1.094 615 I CA 1.621 63.064 61.300 0.238 0.000 1.393 615 I CB -1.889 36.153 38.000 0.069 0.000 1.078 615 I HN -0.080 nan 8.210 nan 0.000 0.417 616 T N 0.659 115.278 114.554 0.109 0.000 2.597 616 T HA -0.309 4.042 4.350 0.001 0.000 0.267 616 T C 2.016 176.764 174.700 0.081 0.000 1.053 616 T CA 2.140 64.262 62.100 0.036 0.000 1.165 616 T CB -0.265 68.612 68.868 0.015 0.000 0.863 616 T HN 0.099 nan 8.240 nan 0.000 0.427 617 K N 0.032 120.493 120.400 0.101 0.000 2.059 617 K HA -0.175 4.146 4.320 0.001 0.000 0.212 617 K C 1.888 178.547 176.600 0.098 0.000 1.050 617 K CA 1.509 57.845 56.287 0.081 0.000 0.927 617 K CB -0.753 31.794 32.500 0.078 0.000 0.714 617 K HN 0.451 nan 8.250 nan 0.000 0.447 618 Y N 1.031 121.351 120.300 0.033 0.000 1.978 618 Y HA -0.332 4.218 4.550 0.001 0.000 0.247 618 Y C 1.829 177.753 175.900 0.041 0.000 1.102 618 Y CA 2.441 60.559 58.100 0.030 0.000 1.069 618 Y CB -0.793 37.681 38.460 0.025 0.000 0.954 618 Y HN 0.084 nan 8.280 nan 0.000 0.488 619 I N 0.216 120.797 120.570 0.019 0.000 2.121 619 I HA -0.499 3.671 4.170 0.001 0.000 0.243 619 I C 2.786 178.880 176.117 -0.037 0.000 1.047 619 I CA 2.344 63.628 61.300 -0.026 0.000 1.308 619 I CB -0.650 37.451 38.000 0.169 0.000 1.015 619 I HN 0.495 nan 8.210 nan 0.000 0.410 620 M N 0.456 120.056 119.600 -0.000 0.000 2.116 620 M HA -0.318 4.162 4.480 0.001 0.000 0.255 620 M C 2.250 178.507 176.300 -0.072 0.000 1.075 620 M CA 2.535 57.827 55.300 -0.015 0.000 1.087 620 M CB -0.148 32.450 32.600 -0.004 0.000 1.340 620 M HN 0.387 nan 8.290 nan 0.000 0.402 621 A N -1.535 121.216 122.820 -0.115 0.000 1.935 621 A HA -0.149 4.171 4.320 0.001 0.000 0.214 621 A C 2.184 179.646 177.584 -0.205 0.000 1.178 621 A CA 1.196 53.148 52.037 -0.143 0.000 0.640 621 A CB -1.389 17.537 19.000 -0.123 0.000 0.825 621 A HN 0.747 nan 8.150 nan 0.000 0.447 622 C N -0.725 118.382 119.300 -0.321 0.000 2.413 622 C HA 0.051 4.511 4.460 0.001 0.000 0.292 622 C C 1.633 176.579 174.990 -0.074 0.000 1.435 622 C CA 0.556 59.407 59.018 -0.280 0.000 1.791 622 C CB -1.844 25.638 27.740 -0.430 0.000 1.784 622 C HN 0.541 nan 8.230 nan 0.000 0.548 623 M N 2.325 121.851 119.600 -0.124 0.000 3.300 623 M HA 0.139 4.619 4.480 0.001 0.000 0.237 623 M C -0.050 176.031 176.300 -0.365 0.000 1.613 623 M CA 0.714 55.821 55.300 -0.322 0.000 1.690 623 M CB -0.643 31.803 32.600 -0.256 0.000 1.288 623 M HN 0.423 nan 8.290 nan 0.000 0.520 624 S N 0.000 115.472 115.700 -0.379 0.000 2.498 624 S HA 0.000 4.470 4.470 0.001 0.000 0.327 624 S CA 0.000 58.023 58.200 -0.296 0.000 1.107 624 S CB 0.000 63.094 63.200 -0.177 0.000 0.593 624 S HN 0.000 nan 8.310 nan 0.000 0.517