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 3opf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVRGFYLRFG EGVSEEANRR ALALAEALLR APPPGLLDAV PAYGVLYLEY DATA SEQUENCE DPRRLSRGRL LRLLKGLPQE RAXXXRVVEI PVRYDGEDLP EVASRLGLSL DATA SEQUENCE EAVKALHQKP LYRVYALGFT PGFPFLAEVE PALRLPRKPH PRPRVPAHAV DATA SEQUENCE AVAGVQTGIY PLPSPGGWNL LGTSLVAVYD PHRETPFLLR PGDRVRFLEA DATA SEQUENCE EGPTPPEPRP LELLPEEPRL PALLVEEPGL MDLVVDGGRF LGGHLGLARS DATA SEQUENCE GPLDAPSARL ANRLVGNGAG APLLEFAYKG PVLTALRDLV AAFAGYGFVA DATA SEQUENCE LLEGEEIPPG QSFLWPRGKT LRFRPRGPGV RGYLAVAGGL EVRPFLGSAS DATA SEQUENCE PDLRGRIGRP LWAGDVLGLE ALRPVRPGRA FPQRPLPEAF RLRLLPGPQF DATA SEQUENCE AGEAFRALCS GPFRVARADR VGVELLGPEV PGGEGLSEPT PLGGVQVPPS DATA SEQUENCE GRPLVLLADK GSLGGYAKPA LVDPRDLWLL GQARPGVEIH FTS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.262 176.300 -0.064 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 V N 2.454 122.323 119.914 -0.075 0.000 2.760 2 V HA 0.680 4.818 4.120 0.030 0.000 0.309 2 V C -0.758 175.213 176.094 -0.205 0.000 1.077 2 V CA -0.675 61.546 62.300 -0.133 0.000 0.910 2 V CB 2.516 34.314 31.823 -0.040 0.000 1.008 2 V HN 0.839 nan 8.190 nan 0.000 0.424 3 R N 1.350 121.579 120.500 -0.452 0.000 2.888 3 R HA 0.909 5.267 4.340 0.030 0.000 0.264 3 R C -0.321 175.676 176.300 -0.506 0.000 1.045 3 R CA -0.621 55.199 56.100 -0.466 0.000 0.962 3 R CB 2.543 32.499 30.300 -0.573 0.000 1.210 3 R HN 0.952 nan 8.270 nan 0.000 0.479 4 G N 0.340 109.056 108.800 -0.140 0.000 2.608 4 G HA2 0.641 4.619 3.960 0.030 0.000 0.291 4 G HA3 0.641 4.619 3.960 0.030 0.000 0.291 4 G C -1.757 173.191 174.900 0.081 0.000 1.425 4 G CA -0.630 44.357 45.100 -0.188 0.000 0.787 4 G HN 0.439 nan 8.290 nan 0.000 0.484 5 F N -2.321 117.596 119.950 -0.055 0.000 2.773 5 F HA 0.767 5.313 4.527 0.031 0.000 0.314 5 F C -2.170 173.616 175.800 -0.023 0.000 1.160 5 F CA -2.264 55.790 58.000 0.089 0.000 0.920 5 F CB 1.009 40.071 39.000 0.104 0.000 1.323 5 F HN 0.487 nan 8.300 nan 0.000 0.457 6 Y N 1.502 122.108 120.300 0.510 0.000 2.352 6 Y HA 0.713 5.281 4.550 0.030 0.000 0.339 6 Y C -0.826 175.225 175.900 0.252 0.000 0.992 6 Y CA -0.898 57.424 58.100 0.369 0.000 1.100 6 Y CB 1.889 40.511 38.460 0.270 0.000 1.192 6 Y HN 0.489 nan 8.280 nan 0.000 0.458 7 L N 4.347 125.754 121.223 0.307 0.000 2.325 7 L HA 0.621 4.979 4.340 0.030 0.000 0.278 7 L C -0.547 176.298 176.870 -0.042 0.000 1.023 7 L CA -0.707 54.158 54.840 0.041 0.000 0.811 7 L CB 1.538 43.581 42.059 -0.026 0.000 1.249 7 L HN 0.553 nan 8.230 nan 0.000 0.431 8 R N 2.615 122.963 120.500 -0.252 0.000 2.561 8 R HA 0.423 4.781 4.340 0.030 0.000 0.297 8 R C -0.673 175.406 176.300 -0.368 0.000 0.969 8 R CA -0.419 55.589 56.100 -0.155 0.000 0.879 8 R CB 1.471 31.766 30.300 -0.008 0.000 1.178 8 R HN 0.423 nan 8.270 nan 0.000 0.445 9 F N 0.491 120.508 119.950 0.112 0.000 2.661 9 F HA 0.416 4.961 4.527 0.030 0.000 0.306 9 F C 0.885 176.736 175.800 0.085 0.000 1.094 9 F CA -0.197 57.857 58.000 0.091 0.000 1.254 9 F CB 1.716 40.771 39.000 0.092 0.000 1.040 9 F HN 0.773 nan 8.300 nan 0.000 0.562 10 G N 0.777 109.697 108.800 0.200 0.000 2.329 10 G HA2 0.188 4.167 3.960 0.030 0.000 0.308 10 G HA3 0.188 4.167 3.960 0.030 0.000 0.308 10 G C -1.341 173.635 174.900 0.127 0.000 1.587 10 G CA -1.184 44.004 45.100 0.146 0.000 0.978 10 G HN 0.106 nan 8.290 nan 0.000 0.685 11 E N 0.560 120.806 120.200 0.077 0.000 2.314 11 E HA 0.676 5.044 4.350 0.030 0.000 0.262 11 E C 0.894 177.507 176.600 0.022 0.000 1.093 11 E CA -0.033 56.393 56.400 0.043 0.000 0.908 11 E CB 1.663 31.372 29.700 0.014 0.000 1.091 11 E HN 2.428 nan 8.360 nan 0.000 0.425 12 G N -0.100 108.678 108.800 -0.037 0.000 2.645 12 G HA2 -0.262 3.716 3.960 0.030 0.000 0.239 12 G HA3 -0.262 3.716 3.960 0.030 0.000 0.239 12 G C -0.334 174.501 174.900 -0.109 0.000 1.331 12 G CA -0.235 44.803 45.100 -0.104 0.000 0.890 12 G HN 0.676 nan 8.290 nan 0.000 0.572 13 V N 1.322 121.140 119.914 -0.160 0.000 2.222 13 V HA 0.533 4.672 4.120 0.030 0.000 0.253 13 V C 0.782 176.825 176.094 -0.085 0.000 1.210 13 V CA 0.776 62.953 62.300 -0.205 0.000 1.079 13 V CB 0.355 31.972 31.823 -0.343 0.000 1.265 13 V HN 1.076 nan 8.190 nan 0.000 0.494 14 S N 2.305 118.074 115.700 0.115 0.000 2.478 14 S HA 0.340 4.828 4.470 0.030 0.000 0.312 14 S C 0.913 175.739 174.600 0.377 0.000 1.094 14 S CA -0.598 57.719 58.200 0.196 0.000 1.081 14 S CB 1.836 65.128 63.200 0.153 0.000 1.007 14 S HN 0.802 nan 8.310 nan 0.000 0.475 15 E N 2.577 122.981 120.200 0.340 0.000 2.106 15 E HA -0.168 4.200 4.350 0.030 0.000 0.192 15 E C 1.418 178.105 176.600 0.145 0.000 0.984 15 E CA 1.258 57.827 56.400 0.282 0.000 0.806 15 E CB -0.014 29.800 29.700 0.192 0.000 0.750 15 E HN 0.775 nan 8.360 nan 0.000 0.458 16 E N 0.558 120.831 120.200 0.122 0.000 2.072 16 E HA -0.109 4.259 4.350 0.030 0.000 0.191 16 E C 1.718 178.362 176.600 0.074 0.000 0.985 16 E CA 1.488 57.931 56.400 0.073 0.000 0.801 16 E CB -0.327 29.415 29.700 0.070 0.000 0.750 16 E HN 0.293 nan 8.360 nan 0.000 0.452 17 A N 1.052 123.958 122.820 0.143 0.000 1.902 17 A HA -0.225 4.113 4.320 0.030 0.000 0.217 17 A C 2.233 179.913 177.584 0.159 0.000 1.181 17 A CA 1.725 53.880 52.037 0.197 0.000 0.623 17 A CB -0.973 18.180 19.000 0.255 0.000 0.818 17 A HN 0.475 nan 8.150 nan 0.000 0.443 18 N N -0.483 118.328 118.700 0.185 0.000 2.142 18 N HA -0.180 4.578 4.740 0.030 0.000 0.186 18 N C 2.141 177.641 175.510 -0.016 0.000 1.023 18 N CA 1.553 54.682 53.050 0.133 0.000 0.852 18 N CB -0.146 38.442 38.487 0.168 0.000 0.998 18 N HN 0.351 nan 8.380 nan 0.000 0.424 19 R N 1.114 121.588 120.500 -0.043 0.000 2.091 19 R HA 0.022 4.380 4.340 0.030 0.000 0.238 19 R C 2.326 178.520 176.300 -0.177 0.000 1.136 19 R CA 1.164 57.207 56.100 -0.095 0.000 0.959 19 R CB -0.840 29.420 30.300 -0.067 0.000 0.856 19 R HN 0.400 nan 8.270 nan 0.000 0.437 20 R N 0.083 120.415 120.500 -0.280 0.000 2.070 20 R HA 0.101 4.459 4.340 0.030 0.000 0.233 20 R C 2.591 178.428 176.300 -0.770 0.000 1.137 20 R CA 1.757 57.489 56.100 -0.614 0.000 0.945 20 R CB -1.336 28.392 30.300 -0.954 0.000 0.845 20 R HN 0.515 nan 8.270 nan 0.000 0.430 21 A N 0.955 123.430 122.820 -0.575 0.000 1.940 21 A HA -0.148 4.190 4.320 0.030 0.000 0.219 21 A C 2.204 179.745 177.584 -0.072 0.000 1.176 21 A CA 1.145 53.102 52.037 -0.133 0.000 0.631 21 A CB -0.452 18.672 19.000 0.207 0.000 0.814 21 A HN 0.180 nan 8.150 nan 0.000 0.446 22 L N -0.702 120.461 121.223 -0.100 0.000 2.109 22 L HA 0.054 4.412 4.340 0.030 0.000 0.207 22 L C 2.773 179.587 176.870 -0.094 0.000 1.086 22 L CA 1.634 56.428 54.840 -0.078 0.000 0.760 22 L CB -0.684 41.327 42.059 -0.080 0.000 0.910 22 L HN 0.357 nan 8.230 nan 0.000 0.437 23 A N -0.632 122.111 122.820 -0.129 0.000 1.908 23 A HA -0.192 4.146 4.320 0.030 0.000 0.218 23 A C 2.242 179.775 177.584 -0.085 0.000 1.181 23 A CA 1.998 53.968 52.037 -0.110 0.000 0.627 23 A CB -0.772 18.149 19.000 -0.133 0.000 0.818 23 A HN 0.434 nan 8.150 nan 0.000 0.445 24 L N -1.059 120.115 121.223 -0.083 0.000 2.044 24 L HA -0.143 4.216 4.340 0.030 0.000 0.205 24 L C 3.158 180.009 176.870 -0.032 0.000 1.075 24 L CA 0.997 55.822 54.840 -0.026 0.000 0.747 24 L CB -0.697 41.392 42.059 0.049 0.000 0.903 24 L HN 0.438 nan 8.230 nan 0.000 0.435 25 A N 0.178 122.976 122.820 -0.037 0.000 1.883 25 A HA -0.255 4.083 4.320 0.030 0.000 0.217 25 A C 2.153 179.669 177.584 -0.112 0.000 1.186 25 A CA 1.950 53.945 52.037 -0.071 0.000 0.624 25 A CB -0.553 18.408 19.000 -0.064 0.000 0.822 25 A HN 0.464 nan 8.150 nan 0.000 0.444 26 E N -0.500 119.641 120.200 -0.098 0.000 2.110 26 E HA -0.094 4.274 4.350 0.030 0.000 0.193 26 E C 2.312 178.863 176.600 -0.081 0.000 0.988 26 E CA 0.888 57.229 56.400 -0.098 0.000 0.804 26 E CB -0.273 29.382 29.700 -0.075 0.000 0.745 26 E HN 0.634 nan 8.360 nan 0.000 0.458 27 A N 1.087 123.868 122.820 -0.066 0.000 1.898 27 A HA -0.131 4.207 4.320 0.030 0.000 0.216 27 A C 2.172 179.723 177.584 -0.056 0.000 1.181 27 A CA 0.911 52.917 52.037 -0.052 0.000 0.620 27 A CB -0.529 18.447 19.000 -0.041 0.000 0.819 27 A HN 0.113 nan 8.150 nan 0.000 0.442 28 L N -0.736 120.449 121.223 -0.063 0.000 2.017 28 L HA -0.162 4.197 4.340 0.030 0.000 0.208 28 L C 2.538 179.357 176.870 -0.084 0.000 1.073 28 L CA 1.131 55.930 54.840 -0.067 0.000 0.745 28 L CB -0.512 41.505 42.059 -0.070 0.000 0.894 28 L HN 0.359 nan 8.230 nan 0.000 0.432 29 L N -0.757 120.395 121.223 -0.119 0.000 2.141 29 L HA -0.182 4.176 4.340 0.030 0.000 0.209 29 L C 2.762 179.578 176.870 -0.090 0.000 1.094 29 L CA 0.933 55.688 54.840 -0.141 0.000 0.763 29 L CB -0.436 41.465 42.059 -0.263 0.000 0.908 29 L HN 0.217 nan 8.230 nan 0.000 0.437 30 R N 0.368 120.823 120.500 -0.075 0.000 2.096 30 R HA -0.047 4.311 4.340 0.030 0.000 0.235 30 R C 0.495 176.770 176.300 -0.041 0.000 1.127 30 R CA 1.220 57.290 56.100 -0.050 0.000 0.968 30 R CB 0.086 30.360 30.300 -0.044 0.000 0.861 30 R HN 0.287 nan 8.270 nan 0.000 0.440 31 A N 1.370 124.163 122.820 -0.044 0.000 3.156 31 A HA 0.344 4.682 4.320 0.030 0.000 0.311 31 A C -2.610 174.948 177.584 -0.042 0.000 1.129 31 A CA -1.251 50.763 52.037 -0.038 0.000 0.809 31 A CB 0.871 19.852 19.000 -0.032 0.000 1.257 31 A HN 0.071 nan 8.150 nan 0.000 0.491 32 P HA 0.379 nan 4.420 nan 0.000 0.287 32 P C -2.667 174.605 177.300 -0.047 0.000 1.281 32 P CA -0.982 62.088 63.100 -0.049 0.000 0.781 32 P CB 0.787 32.457 31.700 -0.049 0.000 0.903 33 P HA 0.214 nan 4.420 nan 0.000 0.271 33 P C -2.454 174.813 177.300 -0.055 0.000 1.218 33 P CA -1.649 61.423 63.100 -0.047 0.000 0.780 33 P CB -0.752 30.922 31.700 -0.044 0.000 0.901 34 P HA 0.053 nan 4.420 nan 0.000 0.264 34 P C 0.919 178.178 177.300 -0.069 0.000 1.193 34 P CA 0.903 63.961 63.100 -0.071 0.000 0.763 34 P CB 0.134 31.796 31.700 -0.062 0.000 0.810 35 G N 1.819 110.560 108.800 -0.098 0.000 2.259 35 G HA2 -0.226 3.752 3.960 0.030 0.000 0.217 35 G HA3 -0.226 3.752 3.960 0.030 0.000 0.217 35 G C -0.283 174.587 174.900 -0.050 0.000 1.001 35 G CA -0.219 44.837 45.100 -0.072 0.000 0.627 35 G HN 0.592 nan 8.290 nan 0.000 0.501 36 L N 1.893 123.079 121.223 -0.061 0.000 2.361 36 L HA 0.631 4.989 4.340 0.030 0.000 0.278 36 L C 1.336 178.165 176.870 -0.068 0.000 1.113 36 L CA -0.204 54.605 54.840 -0.052 0.000 0.849 36 L CB 0.854 42.876 42.059 -0.062 0.000 1.155 36 L HN 0.052 nan 8.230 nan 0.000 0.452 37 L N 3.308 124.511 121.223 -0.034 0.000 2.357 37 L HA 0.387 4.745 4.340 0.030 0.000 0.211 37 L C 0.098 177.039 176.870 0.118 0.000 1.075 37 L CA 0.656 55.539 54.840 0.071 0.000 0.830 37 L CB -0.529 41.604 42.059 0.124 0.000 0.996 37 L HN 0.607 nan 8.230 nan 0.000 0.467 38 D N -1.815 118.587 120.400 0.003 0.000 2.663 38 D HA 0.621 5.279 4.640 0.030 0.000 0.233 38 D C -1.364 174.879 176.300 -0.095 0.000 1.240 38 D CA -0.150 53.847 54.000 -0.006 0.000 0.774 38 D CB 2.337 43.156 40.800 0.031 0.000 1.443 38 D HN -0.120 nan 8.370 nan 0.000 0.441 39 A N 1.491 124.269 122.820 -0.069 0.000 2.605 39 A HA 0.570 4.908 4.320 0.030 0.000 0.293 39 A C -1.209 176.355 177.584 -0.034 0.000 1.216 39 A CA -0.505 51.476 52.037 -0.094 0.000 0.742 39 A CB 0.732 19.663 19.000 -0.116 0.000 1.170 39 A HN 0.188 nan 8.150 nan 0.000 0.443 40 V N 4.680 124.614 119.914 0.034 0.000 2.334 40 V HA 0.496 4.634 4.120 0.030 0.000 0.281 40 V C -2.407 173.757 176.094 0.117 0.000 1.016 40 V CA -1.582 60.778 62.300 0.100 0.000 0.832 40 V CB 1.514 33.426 31.823 0.147 0.000 0.999 40 V HN 0.765 nan 8.190 nan 0.000 0.439 41 P HA 0.677 nan 4.420 nan 0.000 0.294 41 P C -1.000 176.345 177.300 0.076 0.000 1.294 41 P CA -0.593 62.568 63.100 0.102 0.000 0.827 41 P CB 2.046 33.778 31.700 0.054 0.000 0.992 42 A N 3.461 126.352 122.820 0.119 0.000 2.442 42 A HA 0.666 5.004 4.320 0.030 0.000 0.284 42 A C -0.754 176.931 177.584 0.167 0.000 1.058 42 A CA -0.517 51.537 52.037 0.028 0.000 0.738 42 A CB 0.207 19.274 19.000 0.111 0.000 1.242 42 A HN 0.480 nan 8.150 nan 0.000 0.421 43 Y N 0.411 120.882 120.300 0.285 0.000 2.875 43 Y HA -0.404 4.164 4.550 0.030 0.000 0.467 43 Y C 1.918 177.985 175.900 0.278 0.000 1.183 43 Y CA 1.716 60.008 58.100 0.320 0.000 2.568 43 Y CB -1.324 37.265 38.460 0.215 0.000 1.216 43 Y HN 1.064 nan 8.280 nan 0.000 0.629 44 G N 0.238 109.304 108.800 0.443 0.000 3.262 44 G HA2 0.408 4.387 3.960 0.030 0.000 0.228 44 G HA3 0.408 4.387 3.960 0.030 0.000 0.228 44 G C -0.717 174.427 174.900 0.406 0.000 1.197 44 G CA 0.609 45.940 45.100 0.384 0.000 0.819 44 G HN 0.305 nan 8.290 nan 0.000 0.531 45 V N 0.719 120.858 119.914 0.374 0.000 2.513 45 V HA 0.552 4.690 4.120 0.030 0.000 0.299 45 V C -0.655 175.653 176.094 0.356 0.000 1.035 45 V CA -0.995 61.518 62.300 0.355 0.000 0.889 45 V CB 1.934 33.966 31.823 0.349 0.000 0.988 45 V HN 0.117 nan 8.190 nan 0.000 0.440 46 L N 5.111 126.549 121.223 0.359 0.000 2.349 46 L HA 0.569 4.927 4.340 0.030 0.000 0.278 46 L C -1.299 175.716 176.870 0.241 0.000 0.996 46 L CA -0.434 54.580 54.840 0.290 0.000 0.825 46 L CB 1.406 43.660 42.059 0.324 0.000 1.243 46 L HN 0.647 nan 8.230 nan 0.000 0.412 47 Y N 5.674 125.964 120.300 -0.017 0.000 2.331 47 Y HA 0.665 5.233 4.550 0.030 0.000 0.338 47 Y C -1.318 174.429 175.900 -0.256 0.000 0.976 47 Y CA -0.920 57.011 58.100 -0.281 0.000 1.137 47 Y CB 1.065 39.296 38.460 -0.382 0.000 1.172 47 Y HN 0.549 nan 8.280 nan 0.000 0.478 48 L N 5.978 126.640 121.223 -0.934 0.000 2.317 48 L HA 0.543 4.901 4.340 0.030 0.000 0.281 48 L C -0.476 175.693 176.870 -1.169 0.000 1.024 48 L CA -0.717 53.588 54.840 -0.891 0.000 0.810 48 L CB 1.900 43.471 42.059 -0.813 0.000 1.240 48 L HN 0.590 nan 8.230 nan 0.000 0.427 49 E N 2.025 121.814 120.200 -0.685 0.000 2.238 49 E HA 0.553 4.921 4.350 0.030 0.000 0.267 49 E C -1.809 174.716 176.600 -0.125 0.000 0.887 49 E CA -0.622 55.523 56.400 -0.425 0.000 0.769 49 E CB 2.276 31.811 29.700 -0.274 0.000 1.187 49 E HN 0.431 nan 8.360 nan 0.000 0.416 50 Y N 0.017 120.173 120.300 -0.240 0.000 2.597 50 Y HA 0.489 5.058 4.550 0.031 0.000 0.340 50 Y C -1.299 174.544 175.900 -0.094 0.000 1.097 50 Y CA -1.554 56.451 58.100 -0.159 0.000 1.037 50 Y CB 1.045 39.414 38.460 -0.152 0.000 1.305 50 Y HN 0.240 nan 8.280 nan 0.000 0.463 51 D N 3.066 123.449 120.400 -0.029 0.000 2.396 51 D HA 0.401 5.059 4.640 0.030 0.000 0.225 51 D C -2.051 174.271 176.300 0.037 0.000 1.121 51 D CA -2.694 51.257 54.000 -0.081 0.000 0.853 51 D CB 1.775 42.521 40.800 -0.090 0.000 1.043 51 D HN 0.332 nan 8.370 nan 0.000 0.500 52 P HA -0.174 nan 4.420 nan 0.000 0.216 52 P C 1.489 178.832 177.300 0.072 0.000 1.150 52 P CA 0.775 63.949 63.100 0.123 0.000 0.843 52 P CB 0.318 32.047 31.700 0.049 0.000 0.787 53 R N -0.489 120.020 120.500 0.016 0.000 2.091 53 R HA -0.057 4.302 4.340 0.030 0.000 0.238 53 R C 2.418 178.718 176.300 -0.001 0.000 1.136 53 R CA 1.594 57.694 56.100 -0.001 0.000 0.959 53 R CB -1.422 28.862 30.300 -0.025 0.000 0.856 53 R HN 0.390 nan 8.270 nan 0.000 0.437 54 R N -1.253 119.245 120.500 -0.002 0.000 2.237 54 R HA 0.292 4.651 4.340 0.030 0.000 0.195 54 R C -0.126 176.177 176.300 0.005 0.000 0.956 54 R CA 0.181 56.273 56.100 -0.013 0.000 1.029 54 R CB 0.342 30.616 30.300 -0.043 0.000 0.972 54 R HN 0.095 nan 8.270 nan 0.000 0.493 55 L N 0.996 122.248 121.223 0.048 0.000 2.482 55 L HA 0.261 4.619 4.340 0.030 0.000 0.269 55 L C -0.541 176.388 176.870 0.098 0.000 0.967 55 L CA -0.581 54.288 54.840 0.049 0.000 0.851 55 L CB 1.864 43.946 42.059 0.038 0.000 1.242 55 L HN 0.017 nan 8.230 nan 0.000 0.404 56 S N 3.761 119.482 115.700 0.034 0.000 2.592 56 S HA 0.344 4.833 4.470 0.030 0.000 0.271 56 S C 1.215 175.766 174.600 -0.082 0.000 1.326 56 S CA -0.088 58.136 58.200 0.040 0.000 1.024 56 S CB 1.191 64.400 63.200 0.016 0.000 0.921 56 S HN 0.837 nan 8.310 nan 0.000 0.527 57 R N 1.848 122.311 120.500 -0.063 0.000 2.103 57 R HA -0.108 4.250 4.340 0.030 0.000 0.242 57 R C 2.271 178.470 176.300 -0.168 0.000 1.142 57 R CA 1.904 57.878 56.100 -0.210 0.000 0.960 57 R CB -1.299 29.003 30.300 0.003 0.000 0.858 57 R HN 0.902 nan 8.270 nan 0.000 0.439 58 G N -0.636 108.106 108.800 -0.096 0.000 2.418 58 G HA2 -0.327 3.651 3.960 0.030 0.000 0.217 58 G HA3 -0.327 3.651 3.960 0.030 0.000 0.217 58 G C 1.802 176.652 174.900 -0.084 0.000 1.158 58 G CA 1.143 46.190 45.100 -0.089 0.000 0.771 58 G HN 0.517 nan 8.290 nan 0.000 0.545 59 R N 0.052 120.508 120.500 -0.073 0.000 2.092 59 R HA 0.219 4.578 4.340 0.030 0.000 0.231 59 R C 2.441 178.699 176.300 -0.070 0.000 1.119 59 R CA 1.582 57.645 56.100 -0.061 0.000 0.970 59 R CB -1.149 29.123 30.300 -0.047 0.000 0.864 59 R HN 0.418 nan 8.270 nan 0.000 0.440 60 L N 0.597 121.759 121.223 -0.102 0.000 2.017 60 L HA 0.023 4.381 4.340 0.030 0.000 0.208 60 L C 2.417 179.264 176.870 -0.038 0.000 1.073 60 L CA 1.681 56.470 54.840 -0.085 0.000 0.745 60 L CB -0.374 41.592 42.059 -0.154 0.000 0.894 60 L HN 0.399 nan 8.230 nan 0.000 0.432 61 L N -0.568 120.611 121.223 -0.072 0.000 2.131 61 L HA -0.228 4.130 4.340 0.030 0.000 0.210 61 L C 3.071 179.907 176.870 -0.057 0.000 1.092 61 L CA 1.480 56.267 54.840 -0.088 0.000 0.759 61 L CB -0.919 41.025 42.059 -0.192 0.000 0.903 61 L HN 0.353 nan 8.230 nan 0.000 0.435 62 R N 0.028 120.495 120.500 -0.055 0.000 2.115 62 R HA -0.094 4.265 4.340 0.030 0.000 0.230 62 R C 1.944 178.229 176.300 -0.025 0.000 1.111 62 R CA 1.360 57.437 56.100 -0.039 0.000 0.976 62 R CB -1.307 28.969 30.300 -0.039 0.000 0.870 62 R HN 0.154 nan 8.270 nan 0.000 0.445 63 L N 0.755 121.964 121.223 -0.024 0.000 2.046 63 L HA -0.030 4.328 4.340 0.030 0.000 0.208 63 L C 2.573 179.441 176.870 -0.004 0.000 1.077 63 L CA 1.451 56.280 54.840 -0.017 0.000 0.747 63 L CB -0.510 41.536 42.059 -0.023 0.000 0.896 63 L HN 0.324 nan 8.230 nan 0.000 0.432 64 L N -0.540 120.688 121.223 0.008 0.000 2.083 64 L HA -0.247 4.111 4.340 0.030 0.000 0.209 64 L C 2.904 179.795 176.870 0.034 0.000 1.083 64 L CA 1.677 56.538 54.840 0.034 0.000 0.752 64 L CB -0.980 41.118 42.059 0.066 0.000 0.899 64 L HN 0.323 nan 8.230 nan 0.000 0.433 65 K N 0.531 120.941 120.400 0.017 0.000 2.155 65 K HA -0.000 4.338 4.320 0.030 0.000 0.203 65 K C 2.099 178.704 176.600 0.009 0.000 1.052 65 K CA 1.214 57.510 56.287 0.016 0.000 0.948 65 K CB -1.533 30.968 32.500 0.002 0.000 0.728 65 K HN 0.476 nan 8.250 nan 0.000 0.448 66 G N 0.485 109.285 108.800 0.000 0.000 2.421 66 G HA2 0.113 4.091 3.960 0.030 0.000 0.217 66 G HA3 0.113 4.091 3.960 0.030 0.000 0.217 66 G C 0.826 175.724 174.900 -0.004 0.000 1.143 66 G CA 0.260 45.357 45.100 -0.004 0.000 0.784 66 G HN 0.441 nan 8.290 nan 0.000 0.541 67 L N 1.937 123.159 121.223 -0.002 0.000 2.452 67 L HA 0.246 4.604 4.340 0.030 0.000 0.267 67 L C -1.465 175.401 176.870 -0.007 0.000 1.188 67 L CA -1.677 53.159 54.840 -0.007 0.000 0.821 67 L CB 0.581 42.635 42.059 -0.007 0.000 1.102 67 L HN 0.076 nan 8.230 nan 0.000 0.470 68 P HA 0.103 nan 4.420 nan 0.000 0.276 68 P C -0.817 176.465 177.300 -0.031 0.000 1.252 68 P CA -0.458 62.630 63.100 -0.020 0.000 0.802 68 P CB 0.740 32.427 31.700 -0.023 0.000 1.035 69 Q N -1.003 118.777 119.800 -0.033 0.000 2.319 69 Q HA 0.150 4.508 4.340 0.030 0.000 0.202 69 Q C 0.764 176.723 176.000 -0.069 0.000 0.896 69 Q CA 0.254 56.023 55.803 -0.057 0.000 0.942 69 Q CB 0.387 29.100 28.738 -0.040 0.000 1.083 69 Q HN 0.680 nan 8.270 nan 0.000 0.510 70 E N 1.284 121.453 120.200 -0.052 0.000 2.212 70 E HA 0.442 4.811 4.350 0.030 0.000 0.270 70 E C -0.769 175.800 176.600 -0.052 0.000 0.956 70 E CA -0.742 55.629 56.400 -0.049 0.000 0.825 70 E CB 0.952 30.631 29.700 -0.034 0.000 1.167 70 E HN 0.156 nan 8.360 nan 0.000 0.400 71 R N -0.154 120.315 120.500 -0.052 0.000 2.560 71 R HA 0.654 5.012 4.340 0.030 0.000 0.270 71 R C 0.412 176.690 176.300 -0.037 0.000 1.074 71 R CA 0.118 56.189 56.100 -0.049 0.000 1.140 71 R CB 1.501 31.770 30.300 -0.052 0.000 1.073 71 R HN 0.739 nan 8.270 nan 0.000 0.527 77 V N 5.010 124.920 119.914 -0.006 0.000 2.328 77 V HA 0.375 4.513 4.120 0.030 0.000 0.278 77 V C -0.099 175.987 176.094 -0.013 0.000 1.021 77 V CA -0.636 61.659 62.300 -0.008 0.000 0.838 77 V CB 1.603 33.423 31.823 -0.004 0.000 0.999 77 V HN 0.432 nan 8.190 nan 0.000 0.447 78 V N 4.498 124.397 119.914 -0.025 0.000 2.394 78 V HA 0.368 4.506 4.120 0.030 0.000 0.282 78 V C 0.241 176.296 176.094 -0.065 0.000 1.031 78 V CA -0.639 61.640 62.300 -0.035 0.000 0.881 78 V CB 1.596 33.399 31.823 -0.033 0.000 0.982 78 V HN 0.868 nan 8.190 nan 0.000 0.451 79 E N 4.234 124.408 120.200 -0.045 0.000 2.200 79 E HA 0.403 4.771 4.350 0.030 0.000 0.283 79 E C -1.113 175.453 176.600 -0.057 0.000 1.015 79 E CA -0.543 55.829 56.400 -0.047 0.000 0.819 79 E CB 1.005 30.701 29.700 -0.007 0.000 1.081 79 E HN 0.451 nan 8.360 nan 0.000 0.397 80 I N 6.986 127.499 120.570 -0.095 0.000 2.382 80 I HA 0.254 4.442 4.170 0.030 0.000 0.285 80 I C -2.288 173.880 176.117 0.086 0.000 1.007 80 I CA -2.782 58.495 61.300 -0.039 0.000 1.142 80 I CB 0.996 38.907 38.000 -0.149 0.000 1.289 80 I HN 0.292 nan 8.210 nan 0.000 0.453 81 P HA 0.229 nan 4.420 nan 0.000 0.276 81 P C -0.602 176.735 177.300 0.063 0.000 1.235 81 P CA -0.115 63.030 63.100 0.076 0.000 0.772 81 P CB 1.506 33.229 31.700 0.038 0.000 0.871 82 V N 4.719 124.650 119.914 0.028 0.000 2.588 82 V HA 0.392 4.530 4.120 0.030 0.000 0.304 82 V C 0.539 176.491 176.094 -0.236 0.000 1.042 82 V CA -0.830 61.372 62.300 -0.162 0.000 0.877 82 V CB 2.136 33.710 31.823 -0.415 0.000 0.996 82 V HN 0.485 nan 8.190 nan 0.000 0.425 83 R N 3.004 123.390 120.500 -0.190 0.000 2.221 83 R HA 0.327 4.685 4.340 0.030 0.000 0.327 83 R C -1.203 174.987 176.300 -0.183 0.000 1.033 83 R CA -0.456 55.578 56.100 -0.110 0.000 0.887 83 R CB 0.442 30.720 30.300 -0.036 0.000 1.057 83 R HN 0.689 nan 8.270 nan 0.000 0.455 84 Y N 3.901 124.217 120.300 0.027 0.000 2.735 84 Y HA 0.049 4.617 4.550 0.031 0.000 0.354 84 Y C 0.351 176.250 175.900 -0.002 0.000 1.288 84 Y CA -0.306 57.797 58.100 0.003 0.000 1.836 84 Y CB 0.221 38.685 38.460 0.007 0.000 1.920 84 Y HN 0.609 nan 8.280 nan 0.000 0.438 85 D N -1.164 119.276 120.400 0.066 0.000 2.501 85 D HA 0.145 4.804 4.640 0.030 0.000 0.226 85 D C 0.883 177.200 176.300 0.028 0.000 1.198 85 D CA -0.297 53.731 54.000 0.046 0.000 0.830 85 D CB -0.057 40.758 40.800 0.025 0.000 1.014 85 D HN 0.355 nan 8.370 nan 0.000 0.496 86 G N 0.546 109.367 108.800 0.034 0.000 2.441 86 G HA2 0.051 4.029 3.960 0.030 0.000 0.243 86 G HA3 0.051 4.029 3.960 0.030 0.000 0.243 86 G C 0.597 175.505 174.900 0.013 0.000 1.281 86 G CA -0.448 44.660 45.100 0.013 0.000 0.854 86 G HN 0.227 nan 8.290 nan 0.000 0.560 87 E N 0.584 120.785 120.200 0.002 0.000 2.204 87 E HA -0.120 4.249 4.350 0.030 0.000 0.194 87 E C 0.693 177.297 176.600 0.006 0.000 0.989 87 E CA 1.041 57.443 56.400 0.003 0.000 0.824 87 E CB 0.182 29.879 29.700 -0.005 0.000 0.756 87 E HN 0.495 nan 8.360 nan 0.000 0.477 88 D N 0.269 120.673 120.400 0.007 0.000 2.339 88 D HA -0.034 4.624 4.640 0.030 0.000 0.217 88 D C 1.570 177.873 176.300 0.005 0.000 1.050 88 D CA -0.062 53.943 54.000 0.008 0.000 0.856 88 D CB 0.359 41.166 40.800 0.011 0.000 0.922 88 D HN 0.197 nan 8.370 nan 0.000 0.518 89 L N 1.766 122.995 121.223 0.010 0.000 2.017 89 L HA -0.050 4.308 4.340 0.030 0.000 0.208 89 L C -0.891 175.980 176.870 0.001 0.000 1.073 89 L CA 2.133 56.979 54.840 0.009 0.000 0.745 89 L CB -1.285 40.792 42.059 0.029 0.000 0.894 89 L HN -0.067 nan 8.230 nan 0.000 0.432 90 P HA -0.194 nan 4.420 nan 0.000 0.216 90 P C 1.448 178.747 177.300 -0.002 0.000 1.153 90 P CA 1.516 64.617 63.100 0.001 0.000 0.848 90 P CB -0.023 31.679 31.700 0.004 0.000 0.787 91 E N -0.158 120.042 120.200 -0.001 0.000 2.077 91 E HA -0.137 4.231 4.350 0.030 0.000 0.193 91 E C 1.803 178.399 176.600 -0.008 0.000 0.989 91 E CA 1.153 57.552 56.400 -0.002 0.000 0.800 91 E CB -0.386 29.314 29.700 0.001 0.000 0.746 91 E HN -0.067 nan 8.360 nan 0.000 0.452 92 V N 1.466 121.374 119.914 -0.010 0.000 2.295 92 V HA -0.281 3.857 4.120 0.030 0.000 0.246 92 V C 2.544 178.628 176.094 -0.017 0.000 1.049 92 V CA 1.865 64.155 62.300 -0.016 0.000 1.024 92 V CB -0.874 30.938 31.823 -0.020 0.000 0.648 92 V HN 0.475 nan 8.190 nan 0.000 0.447 93 A N 0.792 123.602 122.820 -0.016 0.000 1.865 93 A HA -0.264 4.074 4.320 0.030 0.000 0.217 93 A C 2.582 180.158 177.584 -0.013 0.000 1.191 93 A CA 2.841 54.868 52.037 -0.016 0.000 0.623 93 A CB -0.955 18.035 19.000 -0.016 0.000 0.826 93 A HN 0.700 nan 8.150 nan 0.000 0.444 94 S N -0.420 115.274 115.700 -0.010 0.000 2.368 94 S HA -0.198 4.290 4.470 0.030 0.000 0.224 94 S C 2.055 176.649 174.600 -0.010 0.000 1.029 94 S CA 1.328 59.522 58.200 -0.009 0.000 0.988 94 S CB -0.487 62.709 63.200 -0.006 0.000 0.838 94 S HN 0.583 nan 8.310 nan 0.000 0.462 95 R N 0.744 121.237 120.500 -0.012 0.000 2.120 95 R HA 0.143 4.501 4.340 0.030 0.000 0.234 95 R C 1.807 178.097 176.300 -0.017 0.000 1.123 95 R CA 1.301 57.392 56.100 -0.014 0.000 0.975 95 R CB -0.320 29.970 30.300 -0.017 0.000 0.866 95 R HN 0.486 nan 8.270 nan 0.000 0.446 96 L N -0.709 120.504 121.223 -0.017 0.000 2.607 96 L HA 0.280 4.638 4.340 0.030 0.000 0.228 96 L C 0.788 177.649 176.870 -0.014 0.000 1.123 96 L CA 0.290 55.120 54.840 -0.017 0.000 0.890 96 L CB 0.668 42.715 42.059 -0.019 0.000 1.103 96 L HN 0.497 nan 8.230 nan 0.000 0.468 97 G N 1.254 110.046 108.800 -0.013 0.000 2.246 97 G HA2 -0.265 3.713 3.960 0.030 0.000 0.273 97 G HA3 -0.265 3.713 3.960 0.030 0.000 0.273 97 G C -0.180 174.714 174.900 -0.011 0.000 1.055 97 G CA 0.155 45.249 45.100 -0.011 0.000 0.851 97 G HN 0.249 nan 8.290 nan 0.000 0.500 98 L N 0.010 121.225 121.223 -0.012 0.000 2.303 98 L HA 0.759 5.117 4.340 0.030 0.000 0.266 98 L C 1.103 177.964 176.870 -0.015 0.000 1.011 98 L CA -0.652 54.180 54.840 -0.014 0.000 0.818 98 L CB 1.961 44.010 42.059 -0.016 0.000 1.326 98 L HN 0.361 nan 8.230 nan 0.000 0.435 99 S N 0.067 115.757 115.700 -0.016 0.000 2.632 99 S HA 0.269 4.757 4.470 0.030 0.000 0.267 99 S C 0.949 175.534 174.600 -0.025 0.000 1.276 99 S CA -0.659 57.531 58.200 -0.017 0.000 0.998 99 S CB 0.986 64.177 63.200 -0.015 0.000 0.953 99 S HN 0.438 nan 8.310 nan 0.000 0.547 100 L N 1.110 122.319 121.223 -0.023 0.000 2.013 100 L HA -0.072 4.286 4.340 0.030 0.000 0.212 100 L C 2.756 179.592 176.870 -0.056 0.000 1.073 100 L CA 1.829 56.650 54.840 -0.032 0.000 0.753 100 L CB -1.316 40.732 42.059 -0.018 0.000 0.890 100 L HN 0.722 nan 8.230 nan 0.000 0.432 101 E N -0.715 119.457 120.200 -0.047 0.000 2.150 101 E HA -0.100 4.268 4.350 0.030 0.000 0.193 101 E C 2.301 178.861 176.600 -0.068 0.000 0.985 101 E CA 1.156 57.520 56.400 -0.060 0.000 0.814 101 E CB -0.296 29.384 29.700 -0.033 0.000 0.752 101 E HN 0.465 nan 8.360 nan 0.000 0.466 102 A N 1.131 123.923 122.820 -0.047 0.000 1.902 102 A HA -0.136 4.202 4.320 0.030 0.000 0.217 102 A C 2.621 180.177 177.584 -0.048 0.000 1.181 102 A CA 1.375 53.390 52.037 -0.038 0.000 0.623 102 A CB -0.706 18.280 19.000 -0.023 0.000 0.818 102 A HN 0.126 nan 8.150 nan 0.000 0.443 103 V N 0.441 120.320 119.914 -0.060 0.000 2.287 103 V HA -0.317 3.821 4.120 0.030 0.000 0.248 103 V C 2.503 178.522 176.094 -0.125 0.000 1.053 103 V CA 2.450 64.710 62.300 -0.066 0.000 1.027 103 V CB -0.708 31.075 31.823 -0.066 0.000 0.646 103 V HN 0.555 nan 8.190 nan 0.000 0.447 104 K N 0.185 120.435 120.400 -0.250 0.000 2.026 104 K HA -0.156 4.183 4.320 0.030 0.000 0.208 104 K C 2.312 178.738 176.600 -0.290 0.000 1.048 104 K CA 1.599 57.557 56.287 -0.548 0.000 0.929 104 K CB -0.463 31.663 32.500 -0.623 0.000 0.713 104 K HN 0.481 nan 8.250 nan 0.000 0.439 105 A N 1.570 124.309 122.820 -0.136 0.000 1.898 105 A HA -0.102 4.236 4.320 0.030 0.000 0.216 105 A C 2.182 179.772 177.584 0.010 0.000 1.181 105 A CA 1.111 53.123 52.037 -0.041 0.000 0.620 105 A CB -0.614 18.370 19.000 -0.026 0.000 0.819 105 A HN 0.147 nan 8.150 nan 0.000 0.442 106 L N -1.357 119.873 121.223 0.012 0.000 2.083 106 L HA -0.225 4.133 4.340 0.030 0.000 0.209 106 L C 2.695 179.637 176.870 0.120 0.000 1.083 106 L CA 1.682 56.550 54.840 0.048 0.000 0.752 106 L CB -0.650 41.432 42.059 0.038 0.000 0.899 106 L HN 0.618 nan 8.230 nan 0.000 0.433 107 H N 0.255 119.351 119.070 0.044 0.000 2.423 107 H HA -0.153 4.422 4.556 0.030 0.000 0.297 107 H C 1.938 177.455 175.328 0.315 0.000 1.075 107 H CA 1.502 57.642 56.048 0.153 0.000 1.342 107 H CB 0.370 30.175 29.762 0.072 0.000 1.395 107 H HN 0.482 nan 8.280 nan 0.000 0.530 108 Q N 0.117 120.043 119.800 0.211 0.000 2.389 108 Q HA -0.039 4.319 4.340 0.030 0.000 0.204 108 Q C 2.275 178.365 176.000 0.151 0.000 0.944 108 Q CA 0.177 56.128 55.803 0.247 0.000 0.908 108 Q CB 0.390 29.265 28.738 0.230 0.000 1.002 108 Q HN 0.291 nan 8.270 nan 0.000 0.493 109 K N 0.972 121.415 120.400 0.072 0.000 2.025 109 K HA -0.041 4.297 4.320 0.030 0.000 0.207 109 K C -1.414 175.144 176.600 -0.069 0.000 1.049 109 K CA 0.645 56.936 56.287 0.007 0.000 0.933 109 K CB -0.741 31.755 32.500 -0.007 0.000 0.714 109 K HN 0.131 nan 8.250 nan 0.000 0.438 110 P HA 0.010 nan 4.420 nan 0.000 0.274 110 P C -1.019 176.074 177.300 -0.344 0.000 1.237 110 P CA -0.273 62.592 63.100 -0.391 0.000 0.793 110 P CB 0.470 31.692 31.700 -0.797 0.000 0.977 111 L N 3.293 124.385 121.223 -0.218 0.000 2.282 111 L HA 0.295 4.653 4.340 0.030 0.000 0.287 111 L C -0.949 175.869 176.870 -0.087 0.000 1.075 111 L CA -0.406 54.377 54.840 -0.095 0.000 0.839 111 L CB -1.181 40.857 42.059 -0.035 0.000 1.219 111 L HN 0.198 nan 8.230 nan 0.000 0.434 112 Y N 4.205 124.546 120.300 0.067 0.000 2.300 112 Y HA 0.469 5.037 4.550 0.031 0.000 0.328 112 Y C 0.669 176.619 175.900 0.084 0.000 1.270 112 Y CA -0.188 57.984 58.100 0.119 0.000 1.352 112 Y CB 0.688 39.251 38.460 0.172 0.000 1.286 112 Y HN 0.533 nan 8.280 nan 0.000 0.536 113 R N 0.577 121.265 120.500 0.313 0.000 2.621 113 R HA 0.614 4.972 4.340 0.030 0.000 0.292 113 R C -2.058 174.316 176.300 0.122 0.000 0.969 113 R CA -0.770 55.389 56.100 0.098 0.000 0.887 113 R CB 1.346 31.593 30.300 -0.088 0.000 1.180 113 R HN 0.549 nan 8.270 nan 0.000 0.450 114 V N 5.928 125.852 119.914 0.017 0.000 2.387 114 V HA 0.091 4.229 4.120 0.030 0.000 0.260 114 V C 0.022 176.077 176.094 -0.066 0.000 1.054 114 V CA 0.124 62.459 62.300 0.058 0.000 0.967 114 V CB 0.462 32.300 31.823 0.025 0.000 1.036 114 V HN 0.815 nan 8.190 nan 0.000 0.481 115 Y N 3.125 123.444 120.300 0.032 0.000 2.510 115 Y HA 0.543 5.111 4.550 0.030 0.000 0.273 115 Y C 1.121 176.817 175.900 -0.340 0.000 1.119 115 Y CA 0.727 58.762 58.100 -0.108 0.000 1.286 115 Y CB 0.538 38.970 38.460 -0.046 0.000 1.061 115 Y HN 0.689 nan 8.280 nan 0.000 0.542 116 A N -0.087 122.662 122.820 -0.119 0.000 2.612 116 A HA 0.662 5.000 4.320 0.030 0.000 0.293 116 A C -2.353 175.104 177.584 -0.212 0.000 1.075 116 A CA -0.579 51.329 52.037 -0.216 0.000 0.680 116 A CB 1.303 20.120 19.000 -0.304 0.000 1.279 116 A HN -0.004 nan 8.150 nan 0.000 0.411 117 L N 0.803 121.880 121.223 -0.243 0.000 2.516 117 L HA 0.739 5.098 4.340 0.030 0.000 0.267 117 L C 0.445 177.148 176.870 -0.278 0.000 0.957 117 L CA 1.348 56.041 54.840 -0.244 0.000 0.860 117 L CB 1.975 43.937 42.059 -0.162 0.000 1.265 117 L HN 2.142 nan 8.230 nan 0.000 0.403 118 G N 3.188 111.809 108.800 -0.299 0.000 2.151 118 G HA2 -0.283 3.696 3.960 0.030 0.000 0.140 118 G HA3 -0.283 3.696 3.960 0.030 0.000 0.140 118 G C 0.541 175.303 174.900 -0.230 0.000 1.020 118 G CA 0.188 45.147 45.100 -0.235 0.000 0.688 118 G HN 0.653 nan 8.290 nan 0.000 0.500 119 F N 2.331 121.963 119.950 -0.530 0.000 2.115 119 F HA 0.030 4.576 4.527 0.031 0.000 0.300 119 F C 1.880 177.556 175.800 -0.206 0.000 1.092 119 F CA 2.694 60.426 58.000 -0.446 0.000 1.245 119 F CB 0.166 38.715 39.000 -0.750 0.000 0.995 119 F HN 0.418 nan 8.300 nan 0.000 0.481 120 T N -2.569 112.022 114.554 0.061 0.000 2.942 120 T HA 0.472 4.840 4.350 0.030 0.000 0.289 120 T C -2.818 171.868 174.700 -0.024 0.000 1.044 120 T CA -2.535 59.585 62.100 0.033 0.000 1.023 120 T CB 1.664 70.639 68.868 0.179 0.000 1.123 120 T HN -0.304 nan 8.240 nan 0.000 0.512 121 P HA 0.223 nan 4.420 nan 0.000 0.258 121 P C 1.141 178.324 177.300 -0.194 0.000 1.172 121 P CA 1.508 64.458 63.100 -0.251 0.000 0.762 121 P CB -0.051 31.320 31.700 -0.548 0.000 0.764 122 G N 2.866 111.697 108.800 0.051 0.000 2.179 122 G HA2 -0.296 3.682 3.960 0.030 0.000 0.260 122 G HA3 -0.296 3.682 3.960 0.030 0.000 0.260 122 G C 0.021 175.017 174.900 0.161 0.000 0.977 122 G CA -0.517 44.734 45.100 0.252 0.000 0.641 122 G HN 0.514 nan 8.290 nan 0.000 0.533 123 F N 4.379 124.265 119.950 -0.105 0.000 2.462 123 F HA 0.501 5.046 4.527 0.030 0.000 0.360 123 F C -1.619 174.029 175.800 -0.253 0.000 1.134 123 F CA -3.165 54.737 58.000 -0.162 0.000 1.148 123 F CB 0.815 39.678 39.000 -0.229 0.000 1.147 123 F HN 0.021 nan 8.300 nan 0.000 0.550 124 P HA 0.160 nan 4.420 nan 0.000 0.285 124 P C -1.136 176.388 177.300 0.373 0.000 1.259 124 P CA -0.176 63.043 63.100 0.198 0.000 0.794 124 P CB 0.648 32.472 31.700 0.206 0.000 0.940 125 F N 3.072 123.132 119.950 0.185 0.000 2.385 125 F HA 0.420 4.965 4.527 0.030 0.000 0.360 125 F C 0.514 176.497 175.800 0.304 0.000 1.122 125 F CA -0.895 57.260 58.000 0.257 0.000 1.090 125 F CB 0.444 39.567 39.000 0.205 0.000 1.150 125 F HN 0.070 nan 8.300 nan 0.000 0.472 126 L N 2.948 124.493 121.223 0.537 0.000 2.330 126 L HA 0.953 5.311 4.340 0.030 0.000 0.271 126 L C -0.133 177.029 176.870 0.486 0.000 1.013 126 L CA -0.773 54.349 54.840 0.469 0.000 0.816 126 L CB 1.907 44.155 42.059 0.315 0.000 1.287 126 L HN 0.681 nan 8.230 nan 0.000 0.435 127 A N 1.246 124.430 122.820 0.607 0.000 2.587 127 A HA 0.747 5.085 4.320 0.030 0.000 0.293 127 A C -1.430 176.472 177.584 0.531 0.000 1.087 127 A CA -0.633 51.693 52.037 0.481 0.000 0.692 127 A CB 1.565 20.650 19.000 0.142 0.000 1.291 127 A HN 0.675 nan 8.150 nan 0.000 0.407 128 E N 0.523 120.896 120.200 0.288 0.000 2.171 128 E HA 0.478 4.847 4.350 0.030 0.000 0.271 128 E C -0.823 175.884 176.600 0.179 0.000 0.916 128 E CA -0.852 55.662 56.400 0.190 0.000 0.774 128 E CB 2.180 31.925 29.700 0.076 0.000 1.128 128 E HN 0.406 nan 8.360 nan 0.000 0.403 129 V N 3.468 123.543 119.914 0.267 0.000 2.740 129 V HA -0.061 4.077 4.120 0.030 0.000 0.303 129 V C 0.744 176.891 176.094 0.087 0.000 1.054 129 V CA 0.022 62.468 62.300 0.243 0.000 1.106 129 V CB 0.505 32.437 31.823 0.181 0.000 0.957 129 V HN 0.629 nan 8.190 nan 0.000 0.486 130 E N 5.715 125.954 120.200 0.065 0.000 2.442 130 E HA 0.026 4.395 4.350 0.030 0.000 0.262 130 E C -1.501 175.109 176.600 0.017 0.000 1.004 130 E CA -1.450 54.962 56.400 0.021 0.000 0.928 130 E CB 0.517 30.228 29.700 0.020 0.000 0.937 130 E HN 0.405 nan 8.360 nan 0.000 0.446 131 P HA -0.212 nan 4.420 nan 0.000 0.216 131 P C 0.937 178.232 177.300 -0.008 0.000 1.154 131 P CA 2.119 65.215 63.100 -0.007 0.000 0.865 131 P CB 0.162 31.856 31.700 -0.010 0.000 0.789 132 A N -1.521 121.297 122.820 -0.003 0.000 2.121 132 A HA -0.085 4.253 4.320 0.030 0.000 0.218 132 A C 1.849 179.432 177.584 -0.003 0.000 1.154 132 A CA 0.959 52.993 52.037 -0.005 0.000 0.679 132 A CB -1.170 17.828 19.000 -0.004 0.000 0.795 132 A HN 0.184 nan 8.150 nan 0.000 0.458 133 L N -0.615 120.613 121.223 0.008 0.000 2.667 133 L HA 0.299 4.657 4.340 0.030 0.000 0.232 133 L C 0.505 177.372 176.870 -0.004 0.000 1.138 133 L CA -0.018 54.830 54.840 0.014 0.000 0.921 133 L CB -0.238 41.855 42.059 0.056 0.000 1.180 133 L HN 0.172 nan 8.230 nan 0.000 0.487 134 R N 0.639 121.126 120.500 -0.020 0.000 2.248 134 R HA 0.489 4.847 4.340 0.030 0.000 0.328 134 R C -1.186 175.075 176.300 -0.065 0.000 1.067 134 R CA -0.321 55.748 56.100 -0.050 0.000 0.924 134 R CB 0.806 31.076 30.300 -0.052 0.000 1.013 134 R HN 0.078 nan 8.270 nan 0.000 0.454 135 L N 5.307 126.475 121.223 -0.091 0.000 2.422 135 L HA 0.543 4.901 4.340 0.030 0.000 0.264 135 L C -2.594 174.198 176.870 -0.131 0.000 0.984 135 L CA -2.258 52.528 54.840 -0.090 0.000 0.819 135 L CB 2.237 44.253 42.059 -0.071 0.000 1.330 135 L HN 0.372 nan 8.230 nan 0.000 0.410 136 P HA 0.210 nan 4.420 nan 0.000 0.271 136 P C -1.089 176.125 177.300 -0.142 0.000 1.244 136 P CA -0.375 62.643 63.100 -0.137 0.000 0.793 136 P CB 0.281 31.923 31.700 -0.097 0.000 0.984 137 R N 0.737 121.144 120.500 -0.154 0.000 2.827 137 R HA 0.198 4.557 4.340 0.030 0.000 0.269 137 R C -0.131 176.155 176.300 -0.024 0.000 1.048 137 R CA -0.281 55.776 56.100 -0.071 0.000 1.173 137 R CB 0.045 30.357 30.300 0.020 0.000 1.070 137 R HN 0.328 nan 8.270 nan 0.000 0.498 138 K N 1.251 121.666 120.400 0.025 0.000 2.380 138 K HA 0.013 4.352 4.320 0.030 0.000 0.267 138 K C -1.647 174.919 176.600 -0.058 0.000 0.990 138 K CA -1.103 55.182 56.287 -0.002 0.000 0.946 138 K CB 0.331 32.855 32.500 0.040 0.000 0.937 138 K HN 0.472 nan 8.250 nan 0.000 0.491 139 P HA -0.126 nan 4.420 nan 0.000 0.218 139 P C -0.342 176.650 177.300 -0.514 0.000 1.148 139 P CA 1.512 64.386 63.100 -0.377 0.000 0.822 139 P CB 0.206 31.589 31.700 -0.530 0.000 0.784 140 H N -1.902 117.197 119.070 0.049 0.000 2.667 140 H HA 0.311 4.885 4.556 0.030 0.000 0.353 140 H C -2.374 172.993 175.328 0.065 0.000 1.072 140 H CA -2.500 53.581 56.048 0.055 0.000 1.214 140 H CB 1.085 30.872 29.762 0.042 0.000 1.600 140 H HN 0.006 nan 8.280 nan 0.000 0.527 141 P HA 0.223 nan 4.420 nan 0.000 0.277 141 P C -0.065 177.305 177.300 0.117 0.000 1.240 141 P CA -0.572 62.615 63.100 0.145 0.000 0.798 141 P CB 1.555 33.344 31.700 0.148 0.000 0.979 142 R N 2.733 123.284 120.500 0.085 0.000 2.543 142 R HA 0.130 4.488 4.340 0.030 0.000 0.277 142 R C -1.160 175.172 176.300 0.053 0.000 1.074 142 R CA -1.218 54.912 56.100 0.051 0.000 1.076 142 R CB 0.034 30.340 30.300 0.010 0.000 0.993 142 R HN 0.439 nan 8.270 nan 0.000 0.459 143 P HA -0.107 nan 4.420 nan 0.000 0.223 143 P C -0.168 177.154 177.300 0.038 0.000 1.151 143 P CA 1.148 64.277 63.100 0.048 0.000 0.787 143 P CB 0.462 32.184 31.700 0.036 0.000 0.788 144 R N -0.010 120.496 120.500 0.010 0.000 2.518 144 R HA 0.427 4.785 4.340 0.030 0.000 0.296 144 R C -1.668 174.591 176.300 -0.069 0.000 1.080 144 R CA -0.487 55.606 56.100 -0.012 0.000 0.922 144 R CB 1.858 32.153 30.300 -0.007 0.000 1.184 144 R HN -0.248 nan 8.270 nan 0.000 0.445 145 V N 6.449 126.281 119.914 -0.138 0.000 2.481 145 V HA 0.443 4.581 4.120 0.030 0.000 0.286 145 V C -1.793 174.165 176.094 -0.226 0.000 1.042 145 V CA -1.785 60.340 62.300 -0.292 0.000 0.928 145 V CB 1.615 33.001 31.823 -0.728 0.000 0.986 145 V HN 0.721 nan 8.190 nan 0.000 0.462 146 P HA 0.242 nan 4.420 nan 0.000 0.274 146 P C -0.543 176.668 177.300 -0.147 0.000 1.246 146 P CA -0.321 62.706 63.100 -0.123 0.000 0.795 146 P CB 0.738 32.390 31.700 -0.080 0.000 1.006 147 A N 1.619 124.333 122.820 -0.177 0.000 2.498 147 A HA 0.105 4.443 4.320 0.030 0.000 0.239 147 A C 0.626 177.990 177.584 -0.368 0.000 1.068 147 A CA 0.322 52.130 52.037 -0.381 0.000 0.766 147 A CB -1.019 17.625 19.000 -0.594 0.000 1.003 147 A HN 0.847 nan 8.150 nan 0.000 0.497 148 H N -1.455 117.627 119.070 0.020 0.000 3.428 148 H HA -0.189 4.385 4.556 0.031 0.000 0.204 148 H C 0.601 175.939 175.328 0.018 0.000 1.078 148 H CA 0.697 56.755 56.048 0.017 0.000 1.183 148 H CB -2.232 27.536 29.762 0.009 0.000 1.132 148 H HN 1.321 nan 8.280 nan 0.000 0.323 149 A N 1.564 124.428 122.820 0.073 0.000 2.524 149 A HA 0.440 4.779 4.320 0.030 0.000 0.250 149 A C 0.809 178.475 177.584 0.137 0.000 1.078 149 A CA 0.198 52.265 52.037 0.049 0.000 0.761 149 A CB 0.510 19.452 19.000 -0.096 0.000 1.012 149 A HN 0.147 nan 8.150 nan 0.000 0.500 150 V N 2.361 122.314 119.914 0.064 0.000 2.407 150 V HA 0.644 4.783 4.120 0.030 0.000 0.278 150 V C 0.584 176.699 176.094 0.034 0.000 1.037 150 V CA 0.411 62.736 62.300 0.042 0.000 0.900 150 V CB 0.809 32.567 31.823 -0.110 0.000 0.983 150 V HN 1.243 nan 8.190 nan 0.000 0.459 151 A N 4.579 127.501 122.820 0.171 0.000 2.556 151 A HA 0.975 5.313 4.320 0.030 0.000 0.294 151 A C -0.843 176.899 177.584 0.263 0.000 1.091 151 A CA -0.551 51.644 52.037 0.265 0.000 0.704 151 A CB 2.315 21.662 19.000 0.578 0.000 1.300 151 A HN 1.402 nan 8.150 nan 0.000 0.406 152 V N -2.487 117.501 119.914 0.122 0.000 2.823 152 V HA 1.002 5.140 4.120 0.030 0.000 0.312 152 V C -0.277 175.605 176.094 -0.353 0.000 1.072 152 V CA -0.347 61.908 62.300 -0.075 0.000 0.937 152 V CB 1.276 33.067 31.823 -0.054 0.000 1.013 152 V HN 2.323 nan 8.190 nan 0.000 0.430 153 A N 2.204 124.569 122.820 -0.758 0.000 2.466 153 A HA 0.903 5.242 4.320 0.030 0.000 0.284 153 A C 0.483 177.689 177.584 -0.629 0.000 1.049 153 A CA 0.304 51.831 52.037 -0.851 0.000 0.760 153 A CB 0.870 18.879 19.000 -1.651 0.000 1.274 153 A HN 2.808 nan 8.150 nan 0.000 0.412 154 G N 0.569 109.152 108.800 -0.361 0.000 2.611 154 G HA2 -0.105 3.873 3.960 0.030 0.000 0.301 154 G HA3 -0.105 3.873 3.960 0.030 0.000 0.301 154 G C 1.264 176.050 174.900 -0.190 0.000 1.233 154 G CA 0.913 45.864 45.100 -0.247 0.000 0.993 154 G HN 2.024 nan 8.290 nan 0.000 0.553 155 V N 2.200 122.018 119.914 -0.160 0.000 3.510 155 V HA 0.206 4.345 4.120 0.030 0.000 0.270 155 V C 1.236 177.308 176.094 -0.037 0.000 1.201 155 V CA 2.532 64.785 62.300 -0.079 0.000 1.166 155 V CB -0.569 31.210 31.823 -0.075 0.000 0.825 155 V HN 0.528 nan 8.190 nan 0.000 0.484 156 Q N -0.246 119.462 119.800 -0.153 0.000 2.248 156 Q HA 0.481 4.840 4.340 0.030 0.000 0.263 156 Q C -0.457 175.490 176.000 -0.089 0.000 1.007 156 Q CA -0.235 55.517 55.803 -0.085 0.000 0.877 156 Q CB 2.087 30.717 28.738 -0.181 0.000 1.315 156 Q HN 0.308 nan 8.270 nan 0.000 0.454 157 T N -0.538 114.107 114.554 0.151 0.000 2.906 157 T HA 0.802 5.170 4.350 0.030 0.000 0.295 157 T C -0.993 174.036 174.700 0.548 0.000 1.075 157 T CA -0.433 61.816 62.100 0.250 0.000 1.005 157 T CB 1.650 70.580 68.868 0.103 0.000 1.136 157 T HN 0.741 nan 8.240 nan 0.000 0.498 158 G N 1.624 110.811 108.800 0.644 0.000 2.690 158 G HA2 0.701 4.679 3.960 0.030 0.000 0.291 158 G HA3 0.701 4.679 3.960 0.030 0.000 0.291 158 G C -1.702 173.410 174.900 0.353 0.000 1.403 158 G CA -0.716 44.778 45.100 0.657 0.000 0.864 158 G HN 0.832 nan 8.290 nan 0.000 0.480 159 I N 0.631 121.276 120.570 0.125 0.000 2.439 159 I HA 0.234 4.422 4.170 0.030 0.000 0.285 159 I C -1.053 174.657 176.117 -0.679 0.000 1.021 159 I CA -0.728 60.535 61.300 -0.061 0.000 1.091 159 I CB 1.856 39.921 38.000 0.108 0.000 1.242 159 I HN 0.404 nan 8.210 nan 0.000 0.439 160 Y N 7.660 127.551 120.300 -0.682 0.000 2.637 160 Y HA 0.130 4.698 4.550 0.030 0.000 0.350 160 Y C -1.528 174.128 175.900 -0.406 0.000 1.069 160 Y CA -1.335 56.277 58.100 -0.814 0.000 1.397 160 Y CB 0.349 38.563 38.460 -0.410 0.000 1.163 160 Y HN 0.470 nan 8.280 nan 0.000 0.527 161 P HA -0.016 nan 4.420 nan 0.000 0.227 161 P C -0.386 176.897 177.300 -0.028 0.000 1.161 161 P CA 1.128 64.222 63.100 -0.011 0.000 0.788 161 P CB 0.748 32.506 31.700 0.097 0.000 0.822 162 L N -2.070 119.145 121.223 -0.013 0.000 2.409 162 L HA 0.491 4.849 4.340 0.030 0.000 0.255 162 L C -2.691 174.188 176.870 0.014 0.000 1.027 162 L CA -2.947 51.888 54.840 -0.009 0.000 0.834 162 L CB 2.465 44.575 42.059 0.084 0.000 1.426 162 L HN -0.416 nan 8.230 nan 0.000 0.411 163 P HA 0.135 nan 4.420 nan 0.000 0.267 163 P C -1.209 176.138 177.300 0.079 0.000 1.209 163 P CA -0.012 63.094 63.100 0.009 0.000 0.763 163 P CB 0.825 32.520 31.700 -0.010 0.000 0.816 164 S N 2.546 118.317 115.700 0.119 0.000 2.588 164 S HA 0.685 5.173 4.470 0.030 0.000 0.269 164 S C -3.259 171.447 174.600 0.177 0.000 1.157 164 S CA -1.953 56.358 58.200 0.186 0.000 0.824 164 S CB 1.098 64.480 63.200 0.304 0.000 1.126 164 S HN 0.006 nan 8.310 nan 0.000 0.464 165 P HA 0.528 nan 4.420 nan 0.000 0.269 165 P C -0.036 177.402 177.300 0.230 0.000 1.215 165 P CA 0.395 63.593 63.100 0.164 0.000 0.780 165 P CB 0.406 32.206 31.700 0.166 0.000 0.898 166 G N -0.202 108.695 108.800 0.161 0.000 2.498 166 G HA2 0.447 4.426 3.960 0.030 0.000 0.301 166 G HA3 0.447 4.426 3.960 0.030 0.000 0.301 166 G C -0.155 174.842 174.900 0.162 0.000 1.577 166 G CA -0.234 44.985 45.100 0.198 0.000 0.868 166 G HN 0.548 nan 8.290 nan 0.000 0.599 167 G N -0.369 108.569 108.800 0.230 0.000 3.453 167 G HA2 0.374 4.352 3.960 0.030 0.000 0.263 167 G HA3 0.374 4.352 3.960 0.030 0.000 0.263 167 G C 0.010 175.134 174.900 0.373 0.000 1.060 167 G CA -0.422 44.825 45.100 0.244 0.000 0.793 167 G HN 0.387 nan 8.290 nan 0.000 0.532 168 W N 1.405 122.776 121.300 0.117 0.000 2.161 168 W HA 0.364 5.043 4.660 0.031 0.000 0.344 168 W C 0.232 176.791 176.519 0.068 0.000 1.262 168 W CA -1.392 56.016 57.345 0.105 0.000 1.270 168 W CB 0.271 29.855 29.460 0.206 0.000 1.126 168 W HN -0.067 nan 8.180 nan 0.000 0.598 169 N N 3.039 121.864 118.700 0.210 0.000 2.411 169 N HA 0.158 4.917 4.740 0.030 0.000 0.259 169 N C -0.672 174.892 175.510 0.090 0.000 1.103 169 N CA -0.191 52.915 53.050 0.094 0.000 0.954 169 N CB 0.653 39.149 38.487 0.014 0.000 1.085 169 N HN 0.137 nan 8.380 nan 0.000 0.485 170 L N 3.444 124.702 121.223 0.058 0.000 2.278 170 L HA 0.230 4.589 4.340 0.030 0.000 0.287 170 L C 1.491 178.362 176.870 0.003 0.000 1.072 170 L CA -0.223 54.634 54.840 0.029 0.000 0.819 170 L CB 0.719 42.772 42.059 -0.010 0.000 1.176 170 L HN 0.418 nan 8.230 nan 0.000 0.435 171 L N 2.742 123.951 121.223 -0.024 0.000 2.470 171 L HA 0.388 4.746 4.340 0.030 0.000 0.219 171 L C 1.009 177.900 176.870 0.035 0.000 1.071 171 L CA 0.271 55.107 54.840 -0.006 0.000 0.850 171 L CB 0.289 42.295 42.059 -0.088 0.000 1.040 171 L HN 0.804 nan 8.230 nan 0.000 0.475 172 G N -0.880 107.881 108.800 -0.064 0.000 2.427 172 G HA2 0.354 4.333 3.960 0.030 0.000 0.306 172 G HA3 0.354 4.333 3.960 0.030 0.000 0.306 172 G C -1.430 173.409 174.900 -0.101 0.000 1.280 172 G CA -0.297 44.729 45.100 -0.124 0.000 0.837 172 G HN -0.245 nan 8.290 nan 0.000 0.482 173 T N 0.648 115.135 114.554 -0.112 0.000 2.840 173 T HA 0.572 4.940 4.350 0.030 0.000 0.287 173 T C 0.044 174.722 174.700 -0.036 0.000 0.991 173 T CA -0.171 61.910 62.100 -0.030 0.000 0.964 173 T CB 1.423 70.287 68.868 -0.006 0.000 0.954 173 T HN 0.718 nan 8.240 nan 0.000 0.438 174 S N 2.728 118.448 115.700 0.035 0.000 2.516 174 S HA 0.188 4.676 4.470 0.030 0.000 0.282 174 S C 1.118 175.694 174.600 -0.040 0.000 1.286 174 S CA -0.583 57.641 58.200 0.040 0.000 1.066 174 S CB -0.078 63.189 63.200 0.111 0.000 0.884 174 S HN 0.612 nan 8.310 nan 0.000 0.491 175 L N 5.049 126.247 121.223 -0.043 0.000 2.611 175 L HA 0.335 4.693 4.340 0.030 0.000 0.229 175 L C 0.319 177.132 176.870 -0.095 0.000 1.137 175 L CA -0.118 54.677 54.840 -0.075 0.000 0.901 175 L CB 0.134 42.170 42.059 -0.038 0.000 1.098 175 L HN 0.416 nan 8.230 nan 0.000 0.456 176 V N 0.088 119.948 119.914 -0.090 0.000 2.735 176 V HA 0.710 4.848 4.120 0.030 0.000 0.310 176 V C -0.390 175.637 176.094 -0.112 0.000 1.061 176 V CA -0.683 61.564 62.300 -0.088 0.000 0.913 176 V CB 2.003 33.809 31.823 -0.028 0.000 1.005 176 V HN 0.064 nan 8.190 nan 0.000 0.428 177 A N 5.022 127.770 122.820 -0.119 0.000 2.347 177 A HA 0.478 4.816 4.320 0.030 0.000 0.287 177 A C 1.012 178.646 177.584 0.083 0.000 1.199 177 A CA 0.272 52.303 52.037 -0.010 0.000 0.851 177 A CB 0.792 19.803 19.000 0.018 0.000 1.118 177 A HN 1.864 nan 8.150 nan 0.000 0.525 178 V N 1.028 121.037 119.914 0.159 0.000 2.809 178 V HA 0.050 4.188 4.120 0.030 0.000 0.256 178 V C 0.491 176.719 176.094 0.224 0.000 1.080 178 V CA 1.150 63.548 62.300 0.164 0.000 1.102 178 V CB -1.156 30.765 31.823 0.163 0.000 0.705 178 V HN 0.792 nan 8.190 nan 0.000 0.475 179 Y N 1.158 121.485 120.300 0.045 0.000 2.346 179 Y HA 0.690 5.258 4.550 0.030 0.000 0.332 179 Y C -1.550 174.308 175.900 -0.069 0.000 0.985 179 Y CA -2.114 55.949 58.100 -0.062 0.000 1.112 179 Y CB 1.703 40.153 38.460 -0.017 0.000 1.170 179 Y HN 0.252 nan 8.280 nan 0.000 0.447 180 D N 8.631 128.661 120.400 -0.618 0.000 2.478 180 D HA 0.334 4.992 4.640 0.030 0.000 0.240 180 D C -2.463 173.462 176.300 -0.626 0.000 1.364 180 D CA -2.130 51.520 54.000 -0.582 0.000 0.987 180 D CB 2.544 43.213 40.800 -0.218 0.000 1.328 180 D HN 0.317 nan 8.370 nan 0.000 0.584 181 P HA -0.062 nan 4.420 nan 0.000 0.230 181 P C 0.752 177.787 177.300 -0.441 0.000 1.158 181 P CA 0.666 63.384 63.100 -0.636 0.000 0.769 181 P CB 0.190 31.395 31.700 -0.825 0.000 0.807 182 H N -1.143 117.779 119.070 -0.246 0.000 2.548 182 H HA 0.165 4.739 4.556 0.030 0.000 0.265 182 H C 1.045 176.327 175.328 -0.078 0.000 0.969 182 H CA 0.057 56.026 56.048 -0.132 0.000 1.155 182 H CB 0.471 30.159 29.762 -0.124 0.000 1.394 182 H HN 0.141 nan 8.280 nan 0.000 0.570 183 R N 1.789 122.287 120.500 -0.004 0.000 2.457 183 R HA -0.006 4.352 4.340 0.030 0.000 0.284 183 R C 1.530 177.840 176.300 0.016 0.000 1.024 183 R CA -0.278 55.819 56.100 -0.004 0.000 1.025 183 R CB 1.053 31.326 30.300 -0.045 0.000 1.063 183 R HN 0.035 nan 8.270 nan 0.000 0.493 184 E N 1.529 121.743 120.200 0.023 0.000 2.118 184 E HA -0.113 4.256 4.350 0.030 0.000 0.195 184 E C -0.409 176.212 176.600 0.036 0.000 0.992 184 E CA 1.377 57.795 56.400 0.031 0.000 0.804 184 E CB 0.208 29.922 29.700 0.024 0.000 0.741 184 E HN 0.567 nan 8.360 nan 0.000 0.458 185 T N 3.404 117.977 114.554 0.031 0.000 3.149 185 T HA 0.218 4.586 4.350 0.030 0.000 0.373 185 T C -2.021 172.694 174.700 0.024 0.000 1.364 185 T CA -1.436 60.694 62.100 0.051 0.000 1.110 185 T CB 1.636 70.538 68.868 0.057 0.000 1.127 185 T HN 0.086 nan 8.240 nan 0.000 0.576 186 P HA -0.023 nan 4.420 nan 0.000 0.218 186 P C -0.024 177.089 177.300 -0.312 0.000 1.149 186 P CA 0.760 63.728 63.100 -0.219 0.000 0.817 186 P CB 0.033 31.575 31.700 -0.263 0.000 0.785 187 F N -0.512 119.540 119.950 0.171 0.000 2.388 187 F HA 0.232 4.777 4.527 0.030 0.000 0.358 187 F C 1.568 177.423 175.800 0.092 0.000 1.122 187 F CA -0.846 57.247 58.000 0.156 0.000 1.056 187 F CB 0.921 39.983 39.000 0.103 0.000 1.155 187 F HN -0.291 nan 8.300 nan 0.000 0.461 188 L N 3.568 124.922 121.223 0.219 0.000 2.093 188 L HA 0.070 4.428 4.340 0.030 0.000 0.208 188 L C 0.137 177.082 176.870 0.124 0.000 1.085 188 L CA 1.880 56.800 54.840 0.133 0.000 0.755 188 L CB -0.129 41.989 42.059 0.097 0.000 0.904 188 L HN 0.411 nan 8.230 nan 0.000 0.435 189 L N -0.484 120.828 121.223 0.149 0.000 2.330 189 L HA 0.494 4.853 4.340 0.030 0.000 0.271 189 L C -0.207 176.711 176.870 0.080 0.000 1.013 189 L CA -0.738 54.159 54.840 0.094 0.000 0.816 189 L CB 1.655 43.761 42.059 0.078 0.000 1.287 189 L HN -0.057 nan 8.230 nan 0.000 0.435 190 R N 1.104 121.627 120.500 0.040 0.000 2.854 190 R HA 0.510 4.868 4.340 0.030 0.000 0.271 190 R C -2.667 173.631 176.300 -0.004 0.000 0.994 190 R CA -2.089 54.020 56.100 0.016 0.000 0.945 190 R CB 1.180 31.499 30.300 0.031 0.000 1.194 190 R HN 0.263 nan 8.270 nan 0.000 0.476 191 P HA -0.032 nan 4.420 nan 0.000 0.264 191 P C 0.573 177.846 177.300 -0.045 0.000 1.183 191 P CA 1.086 64.168 63.100 -0.030 0.000 0.763 191 P CB 0.495 32.188 31.700 -0.011 0.000 0.807 192 G N 1.701 110.453 108.800 -0.081 0.000 2.199 192 G HA2 -0.211 3.767 3.960 0.030 0.000 0.254 192 G HA3 -0.211 3.767 3.960 0.030 0.000 0.254 192 G C 0.129 174.986 174.900 -0.071 0.000 0.982 192 G CA -0.181 44.859 45.100 -0.099 0.000 0.632 192 G HN 0.499 nan 8.290 nan 0.000 0.529 193 D N 0.595 120.970 120.400 -0.040 0.000 2.400 193 D HA 0.434 5.092 4.640 0.030 0.000 0.238 193 D C 1.115 177.405 176.300 -0.017 0.000 1.157 193 D CA 0.289 54.277 54.000 -0.020 0.000 0.889 193 D CB 0.406 41.204 40.800 -0.002 0.000 1.199 193 D HN 0.431 nan 8.370 nan 0.000 0.436 194 R N 0.216 120.712 120.500 -0.008 0.000 2.540 194 R HA 0.649 5.007 4.340 0.030 0.000 0.287 194 R C -0.870 175.434 176.300 0.006 0.000 0.980 194 R CA -0.879 55.228 56.100 0.012 0.000 0.966 194 R CB 1.619 31.922 30.300 0.006 0.000 1.106 194 R HN 0.111 nan 8.270 nan 0.000 0.480 195 V N 2.841 122.775 119.914 0.033 0.000 2.709 195 V HA 0.469 4.607 4.120 0.030 0.000 0.308 195 V C -0.435 175.653 176.094 -0.011 0.000 1.062 195 V CA -0.872 61.392 62.300 -0.060 0.000 0.901 195 V CB 2.134 33.846 31.823 -0.185 0.000 1.003 195 V HN 0.678 nan 8.190 nan 0.000 0.425 196 R N 3.209 123.652 120.500 -0.094 0.000 2.439 196 R HA 0.575 4.933 4.340 0.030 0.000 0.310 196 R C -1.498 174.743 176.300 -0.099 0.000 0.955 196 R CA -0.455 55.641 56.100 -0.006 0.000 0.853 196 R CB 1.912 32.231 30.300 0.032 0.000 1.171 196 R HN 0.525 nan 8.270 nan 0.000 0.449 197 F N 3.984 124.040 119.950 0.176 0.000 2.384 197 F HA 0.350 4.895 4.527 0.030 0.000 0.338 197 F C 0.100 176.014 175.800 0.189 0.000 1.103 197 F CA -0.796 57.306 58.000 0.169 0.000 1.157 197 F CB 0.950 40.069 39.000 0.198 0.000 1.167 197 F HN 0.249 nan 8.300 nan 0.000 0.529 198 L N -0.291 121.145 121.223 0.355 0.000 2.431 198 L HA 0.550 4.908 4.340 0.030 0.000 0.266 198 L C -0.614 176.433 176.870 0.295 0.000 0.978 198 L CA -1.285 53.725 54.840 0.284 0.000 0.822 198 L CB 1.445 43.606 42.059 0.170 0.000 1.310 198 L HN 0.577 nan 8.230 nan 0.000 0.409 199 E N 1.494 121.901 120.200 0.346 0.000 2.415 199 E HA 0.564 4.932 4.350 0.030 0.000 0.263 199 E C -0.625 176.083 176.600 0.180 0.000 0.995 199 E CA 0.283 56.888 56.400 0.342 0.000 0.915 199 E CB 0.725 30.635 29.700 0.350 0.000 0.951 199 E HN 1.006 nan 8.360 nan 0.000 0.449 200 A N 3.949 126.844 122.820 0.125 0.000 2.581 200 A HA 0.550 4.888 4.320 0.030 0.000 0.290 200 A C -1.407 176.208 177.584 0.051 0.000 1.119 200 A CA -0.786 51.297 52.037 0.077 0.000 0.670 200 A CB 1.832 20.867 19.000 0.059 0.000 1.280 200 A HN 0.614 nan 8.150 nan 0.000 0.425 201 E N -0.832 119.391 120.200 0.038 0.000 2.317 201 E HA 0.740 5.109 4.350 0.030 0.000 0.270 201 E C -0.203 176.405 176.600 0.013 0.000 0.885 201 E CA 0.341 56.755 56.400 0.025 0.000 0.760 201 E CB 1.992 31.709 29.700 0.029 0.000 1.227 201 E HN 1.879 nan 8.360 nan 0.000 0.434 202 G N 2.289 111.091 108.800 0.003 0.000 2.315 202 G HA2 0.320 4.298 3.960 0.030 0.000 0.294 202 G HA3 0.320 4.298 3.960 0.030 0.000 0.294 202 G C -2.812 172.080 174.900 -0.013 0.000 1.300 202 G CA -0.810 44.288 45.100 -0.005 0.000 0.843 202 G HN 0.509 nan 8.290 nan 0.000 0.527 203 P HA 0.350 nan 4.420 nan 0.000 0.271 203 P C 0.123 177.399 177.300 -0.040 0.000 1.216 203 P CA 0.108 63.193 63.100 -0.024 0.000 0.771 203 P CB 0.596 32.280 31.700 -0.026 0.000 0.864 204 T N 5.501 120.037 114.554 -0.030 0.000 2.853 204 T HA 0.174 4.542 4.350 0.030 0.000 0.298 204 T C -2.030 172.628 174.700 -0.071 0.000 0.978 204 T CA -0.563 61.514 62.100 -0.038 0.000 1.152 204 T CB -0.582 68.292 68.868 0.010 0.000 0.914 204 T HN 0.314 nan 8.240 nan 0.000 0.539 205 P HA 0.185 nan 4.420 nan 0.000 0.268 205 P C -2.232 175.051 177.300 -0.029 0.000 1.205 205 P CA -1.229 61.728 63.100 -0.240 0.000 0.771 205 P CB -0.249 31.077 31.700 -0.622 0.000 0.858 206 P HA 0.081 nan 4.420 nan 0.000 0.272 206 P C -0.161 177.262 177.300 0.206 0.000 1.240 206 P CA -0.069 63.085 63.100 0.090 0.000 0.791 206 P CB 0.601 32.314 31.700 0.021 0.000 0.978 207 E N 1.386 121.661 120.200 0.125 0.000 2.360 207 E HA 0.121 4.490 4.350 0.030 0.000 0.269 207 E C -1.749 174.879 176.600 0.046 0.000 1.022 207 E CA -1.614 54.829 56.400 0.072 0.000 0.887 207 E CB -0.085 29.622 29.700 0.013 0.000 0.990 207 E HN 0.318 nan 8.360 nan 0.000 0.426 208 P HA 0.006 nan 4.420 nan 0.000 0.265 208 P C -0.584 176.718 177.300 0.002 0.000 1.193 208 P CA 0.299 63.391 63.100 -0.014 0.000 0.765 208 P CB 0.368 32.009 31.700 -0.098 0.000 0.823 209 R N 4.046 124.549 120.500 0.005 0.000 2.459 209 R HA 0.479 4.837 4.340 0.030 0.000 0.281 209 R C -2.455 173.941 176.300 0.161 0.000 1.050 209 R CA -1.925 54.194 56.100 0.031 0.000 1.055 209 R CB -1.432 28.812 30.300 -0.093 0.000 1.045 209 R HN 0.439 nan 8.270 nan 0.000 0.495 210 P HA 0.074 nan 4.420 nan 0.000 0.267 210 P C -0.747 176.604 177.300 0.085 0.000 1.200 210 P CA -0.419 62.720 63.100 0.066 0.000 0.772 210 P CB 0.496 32.229 31.700 0.054 0.000 0.855 211 L N 3.255 124.375 121.223 -0.171 0.000 2.264 211 L HA 0.246 4.605 4.340 0.030 0.000 0.289 211 L C 0.149 176.900 176.870 -0.199 0.000 1.044 211 L CA -0.139 54.481 54.840 -0.366 0.000 0.807 211 L CB 0.146 41.808 42.059 -0.662 0.000 1.192 211 L HN 0.224 nan 8.230 nan 0.000 0.425 212 E N 5.497 125.628 120.200 -0.115 0.000 2.344 212 E HA 0.104 4.472 4.350 0.030 0.000 0.270 212 E C 0.393 176.937 176.600 -0.094 0.000 1.021 212 E CA 0.146 56.485 56.400 -0.102 0.000 0.887 212 E CB 1.323 30.984 29.700 -0.065 0.000 0.997 212 E HN 0.708 nan 8.360 nan 0.000 0.429 213 L N 2.464 123.635 121.223 -0.087 0.000 2.638 213 L HA 0.218 4.576 4.340 0.030 0.000 0.232 213 L C 0.608 177.457 176.870 -0.035 0.000 1.099 213 L CA 0.120 54.933 54.840 -0.046 0.000 0.883 213 L CB 0.200 42.240 42.059 -0.031 0.000 1.136 213 L HN 0.228 nan 8.230 nan 0.000 0.492 214 L N 2.078 123.267 121.223 -0.057 0.000 2.307 214 L HA 0.387 4.745 4.340 0.030 0.000 0.282 214 L C -2.023 174.824 176.870 -0.037 0.000 1.051 214 L CA -1.913 52.900 54.840 -0.046 0.000 0.804 214 L CB 1.131 43.149 42.059 -0.067 0.000 1.197 214 L HN -0.184 nan 8.230 nan 0.000 0.431 215 P HA 0.103 nan 4.420 nan 0.000 0.271 215 P C 0.391 177.682 177.300 -0.015 0.000 1.216 215 P CA -0.040 63.052 63.100 -0.013 0.000 0.771 215 P CB 0.864 32.560 31.700 -0.006 0.000 0.864 216 E N 2.713 122.907 120.200 -0.010 0.000 2.153 216 E HA -0.160 4.208 4.350 0.030 0.000 0.194 216 E C 0.667 177.266 176.600 -0.001 0.000 0.988 216 E CA 1.237 57.634 56.400 -0.004 0.000 0.811 216 E CB -0.451 29.251 29.700 0.003 0.000 0.746 216 E HN 0.721 nan 8.360 nan 0.000 0.466 217 E N 0.696 120.895 120.200 -0.002 0.000 2.675 217 E HA 0.283 4.651 4.350 0.030 0.000 0.236 217 E C -2.660 173.938 176.600 -0.004 0.000 1.059 217 E CA -1.935 54.464 56.400 -0.002 0.000 0.775 217 E CB 1.717 31.417 29.700 -0.000 0.000 1.356 217 E HN 0.247 nan 8.360 nan 0.000 0.403 218 P HA -0.018 nan 4.420 nan 0.000 0.269 218 P C 0.609 177.904 177.300 -0.009 0.000 1.209 218 P CA -0.127 62.969 63.100 -0.008 0.000 0.776 218 P CB 0.763 32.456 31.700 -0.010 0.000 0.876 219 R N 2.409 122.904 120.500 -0.007 0.000 2.115 219 R HA 0.003 4.361 4.340 0.030 0.000 0.230 219 R C 0.218 176.510 176.300 -0.013 0.000 1.111 219 R CA 1.177 57.272 56.100 -0.008 0.000 0.976 219 R CB -0.525 29.771 30.300 -0.006 0.000 0.870 219 R HN 0.351 nan 8.270 nan 0.000 0.445 220 L N 1.821 123.034 121.223 -0.016 0.000 2.529 220 L HA 0.465 4.823 4.340 0.030 0.000 0.246 220 L C -2.490 174.361 176.870 -0.031 0.000 1.394 220 L CA -2.450 52.376 54.840 -0.023 0.000 0.906 220 L CB 1.779 43.825 42.059 -0.021 0.000 1.170 220 L HN -0.112 nan 8.230 nan 0.000 0.501 221 P HA -0.026 nan 4.420 nan 0.000 0.261 221 P C 0.222 177.481 177.300 -0.068 0.000 1.183 221 P CA 0.427 63.502 63.100 -0.042 0.000 0.761 221 P CB 1.410 33.088 31.700 -0.038 0.000 0.785 222 A N 4.017 126.788 122.820 -0.081 0.000 1.975 222 A HA 0.382 4.720 4.320 0.030 0.000 0.197 222 A C 0.217 177.675 177.584 -0.211 0.000 1.537 222 A CA 0.721 52.678 52.037 -0.133 0.000 0.972 222 A CB -0.135 18.807 19.000 -0.096 0.000 1.019 222 A HN 0.508 nan 8.150 nan 0.000 0.488 223 L N -2.507 118.634 121.223 -0.138 0.000 2.465 223 L HA 0.887 5.245 4.340 0.030 0.000 0.257 223 L C -1.153 175.694 176.870 -0.038 0.000 0.988 223 L CA -0.940 53.817 54.840 -0.139 0.000 0.827 223 L CB 1.752 43.749 42.059 -0.103 0.000 1.397 223 L HN 0.051 nan 8.230 nan 0.000 0.410 224 L N 2.175 123.389 121.223 -0.015 0.000 2.322 224 L HA 0.725 5.083 4.340 0.030 0.000 0.281 224 L C -0.786 176.121 176.870 0.062 0.000 1.014 224 L CA -0.454 54.398 54.840 0.021 0.000 0.815 224 L CB 1.980 44.044 42.059 0.009 0.000 1.247 224 L HN 0.527 nan 8.230 nan 0.000 0.421 225 V N 6.434 126.389 119.914 0.068 0.000 2.387 225 V HA 0.187 4.325 4.120 0.030 0.000 0.260 225 V C 1.074 177.212 176.094 0.073 0.000 1.054 225 V CA -0.264 62.085 62.300 0.082 0.000 0.967 225 V CB 0.273 32.148 31.823 0.087 0.000 1.036 225 V HN 0.835 nan 8.190 nan 0.000 0.481 226 E N 3.365 123.606 120.200 0.067 0.000 2.076 226 E HA -0.024 4.344 4.350 0.030 0.000 0.190 226 E C 0.766 177.396 176.600 0.051 0.000 0.979 226 E CA 0.674 57.106 56.400 0.053 0.000 0.807 226 E CB 0.620 30.347 29.700 0.045 0.000 0.761 226 E HN 0.839 nan 8.360 nan 0.000 0.454 227 E N 0.326 120.557 120.200 0.052 0.000 2.343 227 E HA 0.204 4.572 4.350 0.030 0.000 0.286 227 E C -2.823 173.808 176.600 0.052 0.000 0.915 227 E CA -1.989 54.440 56.400 0.049 0.000 0.784 227 E CB 2.468 32.188 29.700 0.034 0.000 1.251 227 E HN -0.215 nan 8.360 nan 0.000 0.407 228 P HA 0.207 nan 4.420 nan 0.000 0.276 228 P C 0.093 177.428 177.300 0.057 0.000 1.244 228 P CA -0.031 63.114 63.100 0.076 0.000 0.801 228 P CB 1.229 33.005 31.700 0.127 0.000 1.006 229 G N 0.824 109.650 108.800 0.043 0.000 2.494 229 G HA2 0.145 4.123 3.960 0.030 0.000 0.270 229 G HA3 0.145 4.123 3.960 0.030 0.000 0.270 229 G C 0.778 175.742 174.900 0.108 0.000 1.423 229 G CA -0.491 44.649 45.100 0.066 0.000 1.055 229 G HN 0.475 nan 8.290 nan 0.000 0.536 230 L N -1.011 120.301 121.223 0.147 0.000 2.017 230 L HA 0.280 4.639 4.340 0.030 0.000 0.208 230 L C 1.399 178.347 176.870 0.131 0.000 1.073 230 L CA 1.662 56.586 54.840 0.138 0.000 0.745 230 L CB -0.182 41.980 42.059 0.172 0.000 0.894 230 L HN 0.453 nan 8.230 nan 0.000 0.432 231 M N 0.342 120.032 119.600 0.151 0.000 2.291 231 M HA 0.213 4.711 4.480 0.030 0.000 0.202 231 M C -1.808 174.566 176.300 0.123 0.000 0.985 231 M CA -0.430 54.948 55.300 0.130 0.000 0.993 231 M CB 0.493 33.166 32.600 0.123 0.000 2.723 231 M HN -0.045 nan 8.290 nan 0.000 0.402 232 D N 5.249 125.715 120.400 0.111 0.000 2.295 232 D HA 0.446 5.104 4.640 0.030 0.000 0.248 232 D C -0.627 175.716 176.300 0.072 0.000 1.154 232 D CA 0.136 54.197 54.000 0.102 0.000 0.857 232 D CB 1.530 42.379 40.800 0.081 0.000 1.117 232 D HN 0.555 nan 8.370 nan 0.000 0.468 233 L N 1.540 122.804 121.223 0.067 0.000 2.362 233 L HA 0.345 4.704 4.340 0.030 0.000 0.275 233 L C -0.123 176.782 176.870 0.059 0.000 0.998 233 L CA -1.261 53.608 54.840 0.048 0.000 0.820 233 L CB 2.277 44.364 42.059 0.047 0.000 1.270 233 L HN -0.009 nan 8.230 nan 0.000 0.415 234 V N 4.096 124.036 119.914 0.043 0.000 2.427 234 V HA 0.240 4.378 4.120 0.030 0.000 0.268 234 V C 0.203 176.331 176.094 0.055 0.000 1.046 234 V CA -0.350 61.983 62.300 0.055 0.000 0.970 234 V CB 1.184 33.028 31.823 0.034 0.000 1.001 234 V HN 0.525 nan 8.190 nan 0.000 0.476 235 V N 2.218 122.179 119.914 0.079 0.000 2.914 235 V HA 0.897 5.035 4.120 0.030 0.000 0.314 235 V C -0.541 175.592 176.094 0.065 0.000 1.084 235 V CA -0.818 61.524 62.300 0.071 0.000 0.963 235 V CB 2.144 34.023 31.823 0.093 0.000 1.025 235 V HN 0.770 nan 8.190 nan 0.000 0.432 236 D N 2.428 122.856 120.400 0.046 0.000 2.607 236 D HA 0.494 5.152 4.640 0.030 0.000 0.253 236 D C 1.369 177.695 176.300 0.043 0.000 1.171 236 D CA 0.181 54.209 54.000 0.047 0.000 1.084 236 D CB 0.640 41.471 40.800 0.052 0.000 1.203 236 D HN 0.712 nan 8.370 nan 0.000 0.629 237 G N -1.968 106.878 108.800 0.077 0.000 2.448 237 G HA2 0.367 4.346 3.960 0.030 0.000 0.219 237 G HA3 0.367 4.346 3.960 0.030 0.000 0.219 237 G C 0.848 175.789 174.900 0.070 0.000 1.127 237 G CA 0.670 45.846 45.100 0.127 0.000 0.766 237 G HN 1.032 nan 8.290 nan 0.000 0.552 238 G N -1.559 107.192 108.800 -0.081 0.000 2.361 238 G HA2 0.223 4.201 3.960 0.030 0.000 0.331 238 G HA3 0.223 4.201 3.960 0.030 0.000 0.331 238 G C -1.036 173.511 174.900 -0.589 0.000 1.324 238 G CA -0.498 44.358 45.100 -0.407 0.000 0.984 238 G HN 0.438 nan 8.290 nan 0.000 0.586 239 R N -0.035 120.123 120.500 -0.569 0.000 2.229 239 R HA 0.693 5.051 4.340 0.030 0.000 0.332 239 R C -0.799 175.206 176.300 -0.492 0.000 0.989 239 R CA -0.542 55.339 56.100 -0.364 0.000 0.842 239 R CB 0.262 30.488 30.300 -0.123 0.000 1.119 239 R HN 0.306 nan 8.270 nan 0.000 0.456 240 F N 4.209 124.165 119.950 0.010 0.000 2.497 240 F HA 0.385 4.930 4.527 0.030 0.000 0.331 240 F C 0.842 176.648 175.800 0.010 0.000 1.060 240 F CA -1.008 56.995 58.000 0.004 0.000 0.989 240 F CB 1.183 40.178 39.000 -0.007 0.000 1.245 240 F HN 0.378 nan 8.300 nan 0.000 0.486 241 L N 1.173 122.524 121.223 0.213 0.000 3.717 241 L HA -0.243 4.115 4.340 0.030 0.000 0.414 241 L C 0.725 177.710 176.870 0.191 0.000 1.228 241 L CA 0.760 55.690 54.840 0.148 0.000 0.918 241 L CB -1.845 40.275 42.059 0.102 0.000 1.865 241 L HN 1.002 nan 8.230 nan 0.000 0.922 242 G N -1.682 107.191 108.800 0.122 0.000 3.443 242 G HA2 0.357 4.336 3.960 0.030 0.000 0.252 242 G HA3 0.357 4.336 3.960 0.030 0.000 0.252 242 G C 1.082 175.914 174.900 -0.114 0.000 1.015 242 G CA 0.448 45.534 45.100 -0.023 0.000 0.891 242 G HN 0.424 nan 8.290 nan 0.000 0.510 243 G N 1.258 110.067 108.800 0.015 0.000 2.448 243 G HA2 -0.211 3.768 3.960 0.030 0.000 0.219 243 G HA3 -0.211 3.768 3.960 0.030 0.000 0.219 243 G C 1.567 176.435 174.900 -0.053 0.000 1.127 243 G CA 1.334 46.423 45.100 -0.017 0.000 0.766 243 G HN 0.620 nan 8.290 nan 0.000 0.552 244 H N 0.192 119.198 119.070 -0.107 0.000 2.545 244 H HA 0.129 4.703 4.556 0.030 0.000 0.282 244 H C 1.776 176.966 175.328 -0.230 0.000 1.020 244 H CA 0.596 56.565 56.048 -0.133 0.000 1.243 244 H CB -0.314 29.384 29.762 -0.107 0.000 1.377 244 H HN 0.393 nan 8.280 nan 0.000 0.581 245 L N -0.454 120.299 121.223 -0.784 0.000 2.664 245 L HA 0.311 4.670 4.340 0.030 0.000 0.233 245 L C 1.553 178.079 176.870 -0.573 0.000 1.113 245 L CA 0.413 54.706 54.840 -0.910 0.000 0.896 245 L CB 0.594 41.790 42.059 -1.439 0.000 1.163 245 L HN 0.511 nan 8.230 nan 0.000 0.497 246 G N 0.712 109.304 108.800 -0.347 0.000 2.159 246 G HA2 -0.234 3.744 3.960 0.030 0.000 0.227 246 G HA3 -0.234 3.744 3.960 0.030 0.000 0.227 246 G C 0.065 174.871 174.900 -0.157 0.000 0.986 246 G CA -0.437 44.528 45.100 -0.226 0.000 0.651 246 G HN 0.156 nan 8.290 nan 0.000 0.523 247 L N 1.390 122.530 121.223 -0.138 0.000 2.290 247 L HA 0.656 5.014 4.340 0.030 0.000 0.284 247 L C 1.205 178.043 176.870 -0.053 0.000 1.078 247 L CA -0.172 54.643 54.840 -0.042 0.000 0.815 247 L CB 1.283 43.359 42.059 0.027 0.000 1.162 247 L HN 0.348 nan 8.230 nan 0.000 0.435 248 A N 3.031 125.825 122.820 -0.044 0.000 2.425 248 A HA 0.169 4.507 4.320 0.030 0.000 0.242 248 A C 1.216 178.756 177.584 -0.074 0.000 1.077 248 A CA -0.281 51.724 52.037 -0.053 0.000 0.781 248 A CB 0.418 19.392 19.000 -0.044 0.000 1.020 248 A HN 0.861 nan 8.150 nan 0.000 0.494 249 R N 1.385 121.831 120.500 -0.090 0.000 2.091 249 R HA -0.056 4.302 4.340 0.030 0.000 0.238 249 R C 1.288 177.475 176.300 -0.190 0.000 1.136 249 R CA 1.975 57.971 56.100 -0.173 0.000 0.959 249 R CB -0.761 29.466 30.300 -0.122 0.000 0.856 249 R HN 1.311 nan 8.270 nan 0.000 0.437 250 S N -3.085 112.557 115.700 -0.097 0.000 3.469 250 S HA -0.119 4.369 4.470 0.030 0.000 0.628 250 S C 0.629 175.188 174.600 -0.069 0.000 2.687 250 S CA 2.264 60.427 58.200 -0.062 0.000 3.829 250 S CB -1.636 61.534 63.200 -0.050 0.000 0.258 250 S HN 1.580 nan 8.310 nan 0.000 1.222 251 G N 0.569 109.343 108.800 -0.044 0.000 2.681 251 G HA2 -0.074 3.904 3.960 0.030 0.000 0.220 251 G HA3 -0.074 3.904 3.960 0.030 0.000 0.220 251 G C -2.914 172.015 174.900 0.049 0.000 1.353 251 G CA -0.006 45.086 45.100 -0.013 0.000 0.872 251 G HN 1.116 nan 8.290 nan 0.000 0.557 252 P HA 0.357 nan 4.420 nan 0.000 0.280 252 P C 0.850 178.237 177.300 0.145 0.000 1.244 252 P CA -0.435 62.758 63.100 0.155 0.000 0.784 252 P CB 1.440 33.139 31.700 -0.002 0.000 0.913 253 L N 2.014 123.366 121.223 0.215 0.000 2.217 253 L HA 0.020 4.378 4.340 0.030 0.000 0.211 253 L C 0.852 177.833 176.870 0.185 0.000 1.107 253 L CA 1.809 56.746 54.840 0.162 0.000 0.783 253 L CB -0.564 41.575 42.059 0.134 0.000 0.919 253 L HN 0.353 nan 8.230 nan 0.000 0.442 254 D N -1.123 119.446 120.400 0.282 0.000 2.460 254 D HA 0.310 4.968 4.640 0.030 0.000 0.268 254 D C 1.110 177.415 176.300 0.008 0.000 1.153 254 D CA 0.416 54.563 54.000 0.246 0.000 0.929 254 D CB 1.054 42.099 40.800 0.409 0.000 1.015 254 D HN 0.138 nan 8.370 nan 0.000 0.502 255 A N 4.231 127.051 122.820 -0.000 0.000 1.883 255 A HA -0.062 4.276 4.320 0.030 0.000 0.217 255 A C -0.480 176.999 177.584 -0.175 0.000 1.186 255 A CA 1.125 53.098 52.037 -0.105 0.000 0.624 255 A CB -1.179 17.804 19.000 -0.029 0.000 0.822 255 A HN 0.450 nan 8.150 nan 0.000 0.444 256 P HA -0.103 nan 4.420 nan 0.000 0.216 256 P C 1.690 178.859 177.300 -0.218 0.000 1.150 256 P CA 1.799 64.784 63.100 -0.192 0.000 0.837 256 P CB -0.110 31.433 31.700 -0.261 0.000 0.786 257 S N -0.528 115.053 115.700 -0.197 0.000 2.368 257 S HA -0.119 4.369 4.470 0.030 0.000 0.224 257 S C 2.064 176.405 174.600 -0.432 0.000 1.029 257 S CA 1.333 59.398 58.200 -0.226 0.000 0.988 257 S CB -1.064 62.127 63.200 -0.015 0.000 0.838 257 S HN 0.143 nan 8.310 nan 0.000 0.462 258 A N 1.990 124.326 122.820 -0.805 0.000 1.902 258 A HA -0.109 4.229 4.320 0.030 0.000 0.217 258 A C 2.148 179.540 177.584 -0.320 0.000 1.181 258 A CA 1.216 52.800 52.037 -0.755 0.000 0.623 258 A CB -0.443 18.068 19.000 -0.815 0.000 0.818 258 A HN 0.396 nan 8.150 nan 0.000 0.443 259 R N -1.235 119.106 120.500 -0.266 0.000 2.081 259 R HA -0.100 4.258 4.340 0.030 0.000 0.235 259 R C 2.111 178.305 176.300 -0.176 0.000 1.131 259 R CA 1.358 57.348 56.100 -0.183 0.000 0.960 259 R CB -0.590 29.608 30.300 -0.169 0.000 0.856 259 R HN 0.488 nan 8.270 nan 0.000 0.436 260 L N 1.008 122.112 121.223 -0.199 0.000 2.017 260 L HA -0.126 4.233 4.340 0.030 0.000 0.208 260 L C 2.288 179.087 176.870 -0.118 0.000 1.073 260 L CA 2.020 56.751 54.840 -0.183 0.000 0.745 260 L CB -0.834 41.119 42.059 -0.176 0.000 0.894 260 L HN 0.129 nan 8.230 nan 0.000 0.432 261 A N -0.370 122.391 122.820 -0.097 0.000 1.873 261 A HA -0.277 4.061 4.320 0.030 0.000 0.218 261 A C 2.183 179.758 177.584 -0.014 0.000 1.193 261 A CA 2.114 54.139 52.037 -0.020 0.000 0.629 261 A CB -0.927 18.096 19.000 0.038 0.000 0.826 261 A HN 0.620 nan 8.150 nan 0.000 0.447 262 N N -0.430 118.247 118.700 -0.039 0.000 2.084 262 N HA -0.130 4.628 4.740 0.030 0.000 0.190 262 N C 1.878 177.363 175.510 -0.042 0.000 1.030 262 N CA 1.481 54.514 53.050 -0.030 0.000 0.849 262 N CB -0.417 38.047 38.487 -0.038 0.000 1.012 262 N HN 0.521 nan 8.380 nan 0.000 0.423 263 R N 0.462 120.919 120.500 -0.072 0.000 2.120 263 R HA 0.024 4.382 4.340 0.030 0.000 0.234 263 R C 2.202 178.468 176.300 -0.056 0.000 1.123 263 R CA 0.635 56.688 56.100 -0.079 0.000 0.975 263 R CB -0.289 29.932 30.300 -0.130 0.000 0.866 263 R HN 0.221 nan 8.270 nan 0.000 0.446 264 L N 0.475 121.672 121.223 -0.043 0.000 2.265 264 L HA -0.095 4.264 4.340 0.030 0.000 0.215 264 L C 1.626 178.492 176.870 -0.007 0.000 1.117 264 L CA 0.710 55.543 54.840 -0.011 0.000 0.782 264 L CB -0.017 42.050 42.059 0.012 0.000 0.914 264 L HN 0.151 nan 8.230 nan 0.000 0.441 265 V N -4.264 115.642 119.914 -0.014 0.000 3.214 265 V HA 0.525 4.664 4.120 0.030 0.000 0.330 265 V C 1.159 177.246 176.094 -0.012 0.000 1.403 265 V CA 0.162 62.453 62.300 -0.014 0.000 1.143 265 V CB -0.225 31.589 31.823 -0.017 0.000 1.098 265 V HN 0.388 nan 8.190 nan 0.000 0.463 266 G N 1.099 109.890 108.800 -0.017 0.000 2.153 266 G HA2 -0.265 3.714 3.960 0.030 0.000 0.252 266 G HA3 -0.265 3.714 3.960 0.030 0.000 0.252 266 G C 0.002 174.891 174.900 -0.017 0.000 0.994 266 G CA 0.408 45.498 45.100 -0.017 0.000 0.698 266 G HN 0.619 nan 8.290 nan 0.000 0.521 267 N N 0.529 119.218 118.700 -0.018 0.000 2.445 267 N HA 0.530 5.288 4.740 0.030 0.000 0.264 267 N C 1.011 176.506 175.510 -0.024 0.000 1.227 267 N CA 0.460 53.501 53.050 -0.015 0.000 0.963 267 N CB 0.594 39.077 38.487 -0.007 0.000 1.188 267 N HN 0.465 nan 8.380 nan 0.000 0.491 268 G N -0.695 108.093 108.800 -0.020 0.000 2.491 268 G HA2 0.298 4.276 3.960 0.030 0.000 0.238 268 G HA3 0.298 4.276 3.960 0.030 0.000 0.238 268 G C 1.000 175.882 174.900 -0.030 0.000 1.277 268 G CA 0.082 45.167 45.100 -0.025 0.000 0.851 268 G HN 0.610 nan 8.290 nan 0.000 0.573 269 A N 1.458 124.253 122.820 -0.042 0.000 1.986 269 A HA 0.047 4.385 4.320 0.030 0.000 0.220 269 A C 2.204 179.765 177.584 -0.039 0.000 1.171 269 A CA 2.075 54.079 52.037 -0.055 0.000 0.640 269 A CB -0.302 18.658 19.000 -0.067 0.000 0.811 269 A HN 1.259 nan 8.150 nan 0.000 0.451 270 G N -1.271 107.522 108.800 -0.012 0.000 3.605 270 G HA2 0.479 4.458 3.960 0.030 0.000 0.277 270 G HA3 0.479 4.458 3.960 0.030 0.000 0.277 270 G C 0.384 175.298 174.900 0.023 0.000 1.093 270 G CA 0.480 45.589 45.100 0.015 0.000 0.821 270 G HN 0.718 nan 8.290 nan 0.000 0.532 271 A N 1.075 123.902 122.820 0.013 0.000 2.462 271 A HA 0.561 4.899 4.320 0.030 0.000 0.243 271 A C -2.195 175.409 177.584 0.033 0.000 1.076 271 A CA -0.869 51.181 52.037 0.021 0.000 0.773 271 A CB 0.261 19.270 19.000 0.015 0.000 1.010 271 A HN 0.173 nan 8.150 nan 0.000 0.493 272 P HA 0.328 nan 4.420 nan 0.000 0.267 272 P C -0.891 176.450 177.300 0.068 0.000 1.205 272 P CA 0.281 63.412 63.100 0.052 0.000 0.765 272 P CB 0.426 32.153 31.700 0.045 0.000 0.828 273 L N 1.299 122.577 121.223 0.092 0.000 2.502 273 L HA 0.580 4.939 4.340 0.030 0.000 0.253 273 L C -1.319 175.646 176.870 0.158 0.000 1.070 273 L CA -1.046 53.872 54.840 0.130 0.000 0.871 273 L CB 0.308 42.450 42.059 0.139 0.000 1.487 273 L HN 0.058 nan 8.230 nan 0.000 0.408 274 L N 1.329 122.668 121.223 0.194 0.000 2.276 274 L HA 0.547 4.905 4.340 0.030 0.000 0.286 274 L C 0.114 177.078 176.870 0.158 0.000 1.061 274 L CA -0.145 54.809 54.840 0.191 0.000 0.807 274 L CB 1.257 43.455 42.059 0.232 0.000 1.177 274 L HN 0.799 nan 8.230 nan 0.000 0.429 275 E N 4.278 124.509 120.200 0.052 0.000 2.179 275 E HA 0.547 4.915 4.350 0.030 0.000 0.275 275 E C -1.538 174.963 176.600 -0.165 0.000 0.945 275 E CA -0.622 55.606 56.400 -0.287 0.000 0.792 275 E CB 1.325 30.919 29.700 -0.176 0.000 1.125 275 E HN 0.376 nan 8.360 nan 0.000 0.397 276 F N 1.311 121.053 119.950 -0.347 0.000 2.626 276 F HA 0.887 5.427 4.527 0.022 0.000 0.311 276 F C -1.161 174.558 175.800 -0.136 0.000 1.088 276 F CA -1.079 56.776 58.000 -0.242 0.000 0.949 276 F CB 1.416 40.189 39.000 -0.379 0.000 1.322 276 F HN 0.430 nan 8.300 nan 0.000 0.461 277 A N 1.181 124.140 122.820 0.233 0.000 2.520 277 A HA 0.728 5.066 4.320 0.030 0.000 0.298 277 A C -0.859 177.008 177.584 0.472 0.000 1.051 277 A CA -0.697 51.488 52.037 0.247 0.000 0.690 277 A CB 0.258 19.307 19.000 0.082 0.000 1.281 277 A HN 1.248 nan 8.150 nan 0.000 0.402 278 Y N -0.099 120.427 120.300 0.377 0.000 2.734 278 Y HA -0.298 4.269 4.550 0.029 0.000 0.481 278 Y C 0.808 176.928 175.900 0.367 0.000 1.145 278 Y CA 2.363 60.598 58.100 0.225 0.000 2.851 278 Y CB -0.964 37.576 38.460 0.134 0.000 1.011 278 Y HN 0.761 nan 8.280 nan 0.000 0.572 279 K N 2.010 122.737 120.400 0.546 0.000 2.376 279 K HA 0.588 4.926 4.320 0.030 0.000 0.257 279 K C 0.090 176.845 176.600 0.258 0.000 0.939 279 K CA 0.048 56.585 56.287 0.416 0.000 0.809 279 K CB 1.711 34.357 32.500 0.243 0.000 1.121 279 K HN 0.378 nan 8.250 nan 0.000 0.425 280 G N 3.413 112.226 108.800 0.022 0.000 2.522 280 G HA2 0.473 4.452 3.960 0.030 0.000 0.304 280 G HA3 0.473 4.452 3.960 0.030 0.000 0.304 280 G C -2.541 172.198 174.900 -0.269 0.000 1.210 280 G CA -1.243 43.554 45.100 -0.505 0.000 0.960 280 G HN 0.471 nan 8.290 nan 0.000 0.497 281 P HA 0.372 nan 4.420 nan 0.000 0.278 281 P C -0.772 176.506 177.300 -0.037 0.000 1.266 281 P CA -0.512 62.520 63.100 -0.113 0.000 0.807 281 P CB 1.677 33.321 31.700 -0.094 0.000 1.094 282 V N 1.754 121.667 119.914 -0.000 0.000 2.347 282 V HA 0.360 4.498 4.120 0.030 0.000 0.280 282 V C 0.286 176.414 176.094 0.058 0.000 1.021 282 V CA -0.368 61.934 62.300 0.003 0.000 0.847 282 V CB 0.640 32.466 31.823 0.004 0.000 0.990 282 V HN 0.324 nan 8.190 nan 0.000 0.444 283 L N 4.049 125.334 121.223 0.103 0.000 2.386 283 L HA 0.691 5.049 4.340 0.030 0.000 0.271 283 L C -0.111 176.968 176.870 0.348 0.000 0.993 283 L CA -0.358 54.626 54.840 0.241 0.000 0.819 283 L CB 2.549 44.845 42.059 0.394 0.000 1.294 283 L HN 0.488 nan 8.230 nan 0.000 0.414 284 T N 1.580 116.274 114.554 0.233 0.000 2.807 284 T HA 0.595 4.963 4.350 0.030 0.000 0.279 284 T C -0.026 174.622 174.700 -0.087 0.000 0.993 284 T CA -0.482 61.711 62.100 0.155 0.000 0.970 284 T CB 1.790 70.698 68.868 0.067 0.000 0.950 284 T HN 0.651 nan 8.240 nan 0.000 0.441 285 A N 2.988 125.597 122.820 -0.351 0.000 2.401 285 A HA 0.513 4.851 4.320 0.030 0.000 0.259 285 A C 0.927 178.298 177.584 -0.356 0.000 1.103 285 A CA -0.345 51.237 52.037 -0.758 0.000 0.789 285 A CB -0.035 18.190 19.000 -1.293 0.000 1.035 285 A HN 0.974 nan 8.150 nan 0.000 0.491 286 L N 1.454 122.497 121.223 -0.300 0.000 2.616 286 L HA 0.219 4.577 4.340 0.030 0.000 0.229 286 L C 1.118 177.897 176.870 -0.152 0.000 1.110 286 L CA 0.264 55.001 54.840 -0.171 0.000 0.884 286 L CB -0.351 41.632 42.059 -0.126 0.000 1.115 286 L HN 0.927 nan 8.230 nan 0.000 0.481 287 R N -2.394 117.987 120.500 -0.199 0.000 2.752 287 R HA 0.386 4.744 4.340 0.030 0.000 0.271 287 R C -1.474 174.721 176.300 -0.175 0.000 1.026 287 R CA -0.998 55.015 56.100 -0.145 0.000 0.901 287 R CB 0.766 31.000 30.300 -0.110 0.000 1.243 287 R HN -0.304 nan 8.270 nan 0.000 0.463 288 D N 1.086 121.424 120.400 -0.103 0.000 2.425 288 D HA 0.284 4.943 4.640 0.030 0.000 0.247 288 D C -0.399 175.859 176.300 -0.069 0.000 1.147 288 D CA 0.409 54.367 54.000 -0.069 0.000 0.879 288 D CB 0.672 41.461 40.800 -0.020 0.000 1.179 288 D HN 0.306 nan 8.370 nan 0.000 0.456 289 L N 1.309 122.506 121.223 -0.043 0.000 2.333 289 L HA 0.539 4.897 4.340 0.030 0.000 0.263 289 L C -0.559 176.349 176.870 0.063 0.000 1.014 289 L CA -1.249 53.587 54.840 -0.007 0.000 0.820 289 L CB 2.143 44.177 42.059 -0.042 0.000 1.352 289 L HN -0.022 nan 8.230 nan 0.000 0.421 290 V N 1.325 121.250 119.914 0.019 0.000 2.384 290 V HA 0.799 4.938 4.120 0.030 0.000 0.287 290 V C -0.011 176.023 176.094 -0.100 0.000 1.020 290 V CA -0.326 61.950 62.300 -0.039 0.000 0.850 290 V CB 1.313 33.120 31.823 -0.027 0.000 0.987 290 V HN 0.855 nan 8.190 nan 0.000 0.436 291 A N 4.074 126.682 122.820 -0.354 0.000 2.469 291 A HA 1.035 5.373 4.320 0.030 0.000 0.299 291 A C -0.509 176.721 177.584 -0.591 0.000 1.098 291 A CA -0.385 51.410 52.037 -0.403 0.000 0.737 291 A CB 2.027 20.831 19.000 -0.327 0.000 1.312 291 A HN 1.368 nan 8.150 nan 0.000 0.414 292 A N 0.247 122.968 122.820 -0.165 0.000 2.414 292 A HA 0.722 5.060 4.320 0.030 0.000 0.306 292 A C -1.211 176.573 177.584 0.332 0.000 1.054 292 A CA -0.377 51.699 52.037 0.066 0.000 0.724 292 A CB 0.848 19.881 19.000 0.054 0.000 1.267 292 A HN 1.619 nan 8.150 nan 0.000 0.418 293 F N 2.420 122.562 119.950 0.320 0.000 2.426 293 F HA 0.725 5.267 4.527 0.025 0.000 0.348 293 F C 0.057 175.976 175.800 0.198 0.000 1.124 293 F CA -0.195 58.003 58.000 0.330 0.000 1.008 293 F CB 1.099 40.372 39.000 0.456 0.000 1.139 293 F HN 0.860 nan 8.300 nan 0.000 0.452 294 A N 4.163 126.797 122.820 -0.310 0.000 2.486 294 A HA 0.970 5.309 4.320 0.030 0.000 0.289 294 A C 0.073 177.357 177.584 -0.499 0.000 1.176 294 A CA -0.317 51.436 52.037 -0.474 0.000 0.757 294 A CB 0.955 19.836 19.000 -0.198 0.000 1.337 294 A HN 1.920 nan 8.150 nan 0.000 0.423 295 G N -1.573 106.939 108.800 -0.480 0.000 2.512 295 G HA2 0.176 4.155 3.960 0.030 0.000 0.210 295 G HA3 0.176 4.155 3.960 0.030 0.000 0.210 295 G C -0.777 173.715 174.900 -0.681 0.000 1.295 295 G CA 0.032 44.921 45.100 -0.351 0.000 0.934 295 G HN 1.524 nan 8.290 nan 0.000 0.554 296 Y N -1.174 119.181 120.300 0.091 0.000 2.705 296 Y HA 0.580 5.145 4.550 0.026 0.000 0.332 296 Y C 1.376 177.370 175.900 0.157 0.000 1.157 296 Y CA 0.275 58.447 58.100 0.121 0.000 1.091 296 Y CB 1.500 40.018 38.460 0.096 0.000 1.301 296 Y HN 2.189 nan 8.280 nan 0.000 0.488 297 G N -0.363 108.557 108.800 0.200 0.000 2.225 297 G HA2 -0.263 3.715 3.960 0.030 0.000 0.254 297 G HA3 -0.263 3.715 3.960 0.030 0.000 0.254 297 G C -0.508 174.097 174.900 -0.491 0.000 0.988 297 G CA 0.168 45.143 45.100 -0.209 0.000 0.625 297 G HN 0.415 nan 8.290 nan 0.000 0.527 298 F N -1.612 118.543 119.950 0.341 0.000 2.664 298 F HA 0.748 5.282 4.527 0.012 0.000 0.317 298 F C -0.123 175.913 175.800 0.394 0.000 1.108 298 F CA -0.949 57.259 58.000 0.347 0.000 0.957 298 F CB 2.032 41.262 39.000 0.382 0.000 1.365 298 F HN 0.177 nan 8.300 nan 0.000 0.475 299 V N 1.475 121.654 119.914 0.442 0.000 2.555 299 V HA 0.871 5.009 4.120 0.030 0.000 0.302 299 V C -0.637 175.481 176.094 0.040 0.000 1.038 299 V CA -0.606 61.871 62.300 0.296 0.000 0.887 299 V CB 1.440 33.359 31.823 0.161 0.000 0.991 299 V HN 0.979 nan 8.190 nan 0.000 0.434 300 A N 6.688 129.413 122.820 -0.157 0.000 2.354 300 A HA 0.734 5.072 4.320 0.030 0.000 0.269 300 A C -0.682 176.618 177.584 -0.473 0.000 1.109 300 A CA -0.356 51.336 52.037 -0.576 0.000 0.800 300 A CB 0.379 18.953 19.000 -0.711 0.000 1.045 300 A HN 0.902 nan 8.150 nan 0.000 0.489 301 L N 2.390 123.264 121.223 -0.582 0.000 2.349 301 L HA 0.560 4.918 4.340 0.030 0.000 0.278 301 L C -1.192 175.406 176.870 -0.453 0.000 0.996 301 L CA -0.603 53.994 54.840 -0.404 0.000 0.825 301 L CB 1.677 43.566 42.059 -0.284 0.000 1.243 301 L HN 0.678 nan 8.230 nan 0.000 0.412 302 L N 3.450 124.447 121.223 -0.377 0.000 2.476 302 L HA 0.369 4.727 4.340 0.030 0.000 0.269 302 L C -0.071 176.693 176.870 -0.177 0.000 0.965 302 L CA 0.121 54.769 54.840 -0.320 0.000 0.845 302 L CB 1.591 43.379 42.059 -0.452 0.000 1.259 302 L HN 0.634 nan 8.230 nan 0.000 0.403 303 E N 4.080 124.218 120.200 -0.102 0.000 2.328 303 E HA -0.263 4.106 4.350 0.030 0.000 0.233 303 E C 1.090 177.653 176.600 -0.062 0.000 1.219 303 E CA 0.829 57.197 56.400 -0.053 0.000 0.717 303 E CB -1.336 28.351 29.700 -0.021 0.000 1.210 303 E HN 1.289 nan 8.360 nan 0.000 0.381 304 G N -1.942 106.811 108.800 -0.079 0.000 2.245 304 G HA2 -0.403 3.576 3.960 0.030 0.000 0.264 304 G HA3 -0.403 3.576 3.960 0.030 0.000 0.264 304 G C 0.207 175.060 174.900 -0.078 0.000 0.985 304 G CA 0.874 45.934 45.100 -0.068 0.000 0.625 304 G HN 0.834 nan 8.290 nan 0.000 0.536 305 E N 0.964 121.104 120.200 -0.100 0.000 2.266 305 E HA 0.663 5.032 4.350 0.030 0.000 0.277 305 E C 0.013 176.528 176.600 -0.141 0.000 1.018 305 E CA -0.082 56.258 56.400 -0.101 0.000 0.840 305 E CB 0.529 30.172 29.700 -0.094 0.000 1.082 305 E HN 0.635 nan 8.360 nan 0.000 0.395 306 E N 0.301 120.439 120.200 -0.103 0.000 2.266 306 E HA 0.519 4.887 4.350 0.030 0.000 0.277 306 E C -0.507 176.034 176.600 -0.098 0.000 1.018 306 E CA -0.374 55.966 56.400 -0.101 0.000 0.840 306 E CB 1.442 31.116 29.700 -0.043 0.000 1.082 306 E HN 0.539 nan 8.360 nan 0.000 0.395 307 I N 4.430 124.934 120.570 -0.110 0.000 2.448 307 I HA 0.243 4.431 4.170 0.030 0.000 0.281 307 I C -2.415 173.776 176.117 0.123 0.000 1.027 307 I CA -2.370 58.892 61.300 -0.063 0.000 1.111 307 I CB 1.554 39.392 38.000 -0.271 0.000 1.236 307 I HN 0.175 nan 8.210 nan 0.000 0.452 308 P HA 0.139 nan 4.420 nan 0.000 0.269 308 P C -2.434 174.986 177.300 0.200 0.000 1.215 308 P CA -1.056 62.154 63.100 0.183 0.000 0.780 308 P CB -0.211 31.546 31.700 0.095 0.000 0.898 309 P HA 0.092 nan 4.420 nan 0.000 0.271 309 P C 0.519 177.699 177.300 -0.199 0.000 1.218 309 P CA 0.535 63.401 63.100 -0.389 0.000 0.780 309 P CB 0.339 31.570 31.700 -0.782 0.000 0.901 310 G N 0.808 109.506 108.800 -0.170 0.000 2.135 310 G HA2 -0.100 3.878 3.960 0.030 0.000 0.183 310 G HA3 -0.100 3.878 3.960 0.030 0.000 0.183 310 G C -0.303 174.628 174.900 0.052 0.000 1.004 310 G CA 0.067 45.138 45.100 -0.049 0.000 0.677 310 G HN 0.880 nan 8.290 nan 0.000 0.512 311 Q N -0.657 119.206 119.800 0.105 0.000 2.435 311 Q HA 0.728 5.086 4.340 0.030 0.000 0.282 311 Q C -0.312 175.832 176.000 0.241 0.000 1.020 311 Q CA -0.326 55.571 55.803 0.156 0.000 0.820 311 Q CB 1.480 30.308 28.738 0.151 0.000 1.436 311 Q HN 0.905 nan 8.270 nan 0.000 0.395 312 S N 0.906 116.715 115.700 0.181 0.000 2.687 312 S HA 0.894 5.382 4.470 0.030 0.000 0.283 312 S C -0.444 174.291 174.600 0.225 0.000 1.170 312 S CA -0.485 57.783 58.200 0.113 0.000 1.008 312 S CB 0.507 63.714 63.200 0.012 0.000 1.026 312 S HN 0.679 nan 8.310 nan 0.000 0.541 313 F N -1.191 118.808 119.950 0.082 0.000 2.693 313 F HA 0.671 5.225 4.527 0.045 0.000 0.309 313 F C -1.386 174.475 175.800 0.102 0.000 1.129 313 F CA -1.637 56.405 58.000 0.070 0.000 0.948 313 F CB 0.630 39.651 39.000 0.036 0.000 1.315 313 F HN 0.593 nan 8.300 nan 0.000 0.447 314 L N 2.807 124.197 121.223 0.278 0.000 2.367 314 L HA 0.338 4.697 4.340 0.030 0.000 0.275 314 L C -1.197 175.928 176.870 0.425 0.000 1.129 314 L CA 0.017 54.998 54.840 0.235 0.000 0.839 314 L CB 0.672 42.834 42.059 0.172 0.000 1.133 314 L HN 0.744 nan 8.230 nan 0.000 0.453 315 W N 9.155 130.533 121.300 0.130 0.000 2.443 315 W HA 0.508 5.195 4.660 0.045 0.000 0.303 315 W C -2.554 174.012 176.519 0.079 0.000 0.991 315 W CA -3.206 54.238 57.345 0.165 0.000 1.522 315 W CB 0.421 29.974 29.460 0.154 0.000 1.315 315 W HN 0.427 nan 8.180 nan 0.000 0.419 316 P HA 0.096 nan 4.420 nan 0.000 0.271 316 P C 0.025 177.323 177.300 -0.003 0.000 1.218 316 P CA -0.091 63.076 63.100 0.111 0.000 0.780 316 P CB 0.578 32.347 31.700 0.115 0.000 0.901 317 R N 1.955 122.418 120.500 -0.063 0.000 2.523 317 R HA 0.127 4.485 4.340 0.030 0.000 0.281 317 R C 1.237 177.506 176.300 -0.052 0.000 0.969 317 R CA 1.678 57.716 56.100 -0.103 0.000 1.093 317 R CB -0.921 29.335 30.300 -0.073 0.000 0.917 317 R HN 0.868 nan 8.270 nan 0.000 0.408 318 G N 2.996 111.756 108.800 -0.067 0.000 2.241 318 G HA2 -0.226 3.752 3.960 0.030 0.000 0.244 318 G HA3 -0.226 3.752 3.960 0.030 0.000 0.244 318 G C -0.357 174.564 174.900 0.036 0.000 0.998 318 G CA 0.098 45.189 45.100 -0.015 0.000 0.621 318 G HN 0.513 nan 8.290 nan 0.000 0.519 319 K N 1.356 121.809 120.400 0.088 0.000 2.174 319 K HA 0.583 4.922 4.320 0.030 0.000 0.275 319 K C -0.137 176.652 176.600 0.315 0.000 1.015 319 K CA -0.121 56.276 56.287 0.183 0.000 0.933 319 K CB 1.259 33.904 32.500 0.242 0.000 1.025 319 K HN 0.131 nan 8.250 nan 0.000 0.463 320 T N 2.783 117.458 114.554 0.202 0.000 2.767 320 T HA 0.292 4.660 4.350 0.030 0.000 0.284 320 T C -0.267 174.462 174.700 0.048 0.000 0.973 320 T CA -0.600 61.604 62.100 0.174 0.000 0.996 320 T CB 0.603 69.510 68.868 0.066 0.000 0.927 320 T HN 0.249 nan 8.240 nan 0.000 0.456 321 L N 4.668 125.887 121.223 -0.006 0.000 2.307 321 L HA 0.651 5.009 4.340 0.030 0.000 0.282 321 L C -0.028 176.555 176.870 -0.479 0.000 1.051 321 L CA -0.015 54.553 54.840 -0.454 0.000 0.804 321 L CB 0.658 42.157 42.059 -0.934 0.000 1.197 321 L HN 0.587 nan 8.230 nan 0.000 0.431 322 R N 3.285 123.382 120.500 -0.671 0.000 2.905 322 R HA 0.635 4.994 4.340 0.030 0.000 0.260 322 R C -1.663 174.031 176.300 -1.010 0.000 1.086 322 R CA -0.696 55.043 56.100 -0.602 0.000 0.978 322 R CB 1.699 31.828 30.300 -0.285 0.000 1.215 322 R HN 0.417 nan 8.270 nan 0.000 0.480 323 F N 0.501 120.246 119.950 -0.342 0.000 2.539 323 F HA 0.419 4.959 4.527 0.021 0.000 0.328 323 F C 0.051 175.851 175.800 0.001 0.000 1.148 323 F CA -0.683 57.119 58.000 -0.329 0.000 0.940 323 F CB 1.727 40.277 39.000 -0.750 0.000 1.194 323 F HN 0.128 nan 8.300 nan 0.000 0.438 324 R N 4.645 125.268 120.500 0.204 0.000 2.221 324 R HA 0.456 4.815 4.340 0.030 0.000 0.327 324 R C -2.735 173.758 176.300 0.322 0.000 1.033 324 R CA -1.675 54.552 56.100 0.212 0.000 0.887 324 R CB 0.940 31.293 30.300 0.087 0.000 1.057 324 R HN 0.207 nan 8.270 nan 0.000 0.455 325 P HA 0.022 nan 4.420 nan 0.000 0.265 325 P C -1.289 176.010 177.300 -0.001 0.000 1.193 325 P CA 0.151 63.257 63.100 0.010 0.000 0.765 325 P CB 0.617 32.313 31.700 -0.007 0.000 0.823 326 R N 2.431 122.892 120.500 -0.065 0.000 2.745 326 R HA 0.493 4.851 4.340 0.030 0.000 0.290 326 R C -0.139 176.158 176.300 -0.006 0.000 1.260 326 R CA -0.277 55.828 56.100 0.009 0.000 1.045 326 R CB 0.390 30.741 30.300 0.085 0.000 1.257 326 R HN 0.602 nan 8.270 nan 0.000 0.400 327 G N 3.475 112.267 108.800 -0.013 0.000 2.667 327 G HA2 0.359 4.337 3.960 0.030 0.000 0.250 327 G HA3 0.359 4.337 3.960 0.030 0.000 0.250 327 G C -1.917 173.013 174.900 0.049 0.000 1.212 327 G CA -0.703 44.395 45.100 -0.004 0.000 0.874 327 G HN 0.543 nan 8.290 nan 0.000 0.561 328 P HA 0.590 nan 4.420 nan 0.000 0.282 328 P C 0.347 177.677 177.300 0.049 0.000 1.287 328 P CA 0.666 63.784 63.100 0.030 0.000 0.792 328 P CB 0.876 32.592 31.700 0.026 0.000 1.163 329 G N -1.609 107.193 108.800 0.003 0.000 2.746 329 G HA2 0.051 4.029 3.960 0.030 0.000 0.685 329 G HA3 0.051 4.029 3.960 0.030 0.000 0.685 329 G C 0.070 174.908 174.900 -0.103 0.000 1.350 329 G CA -0.247 44.858 45.100 0.008 0.000 0.837 329 G HN 0.936 nan 8.290 nan 0.000 0.564 330 V N -3.677 116.145 119.914 -0.153 0.000 3.380 330 V HA 0.603 4.741 4.120 0.030 0.000 0.277 330 V C 0.609 176.590 176.094 -0.189 0.000 1.590 330 V CA 1.230 63.299 62.300 -0.384 0.000 1.019 330 V CB 0.569 31.901 31.823 -0.817 0.000 0.828 330 V HN 0.950 nan 8.190 nan 0.000 0.427 331 R N 0.735 121.218 120.500 -0.029 0.000 2.439 331 R HA 0.703 5.062 4.340 0.030 0.000 0.310 331 R C -0.024 176.181 176.300 -0.157 0.000 0.955 331 R CA 0.189 56.234 56.100 -0.093 0.000 0.853 331 R CB 1.633 31.872 30.300 -0.102 0.000 1.171 331 R HN 0.538 nan 8.270 nan 0.000 0.449 332 G N 2.169 110.617 108.800 -0.586 0.000 2.568 332 G HA2 0.522 4.500 3.960 0.030 0.000 0.313 332 G HA3 0.522 4.500 3.960 0.030 0.000 0.313 332 G C -1.727 172.276 174.900 -1.494 0.000 1.227 332 G CA -0.387 44.261 45.100 -0.753 0.000 0.979 332 G HN 0.465 nan 8.290 nan 0.000 0.486 333 Y N -0.733 119.316 120.300 -0.418 0.000 2.386 333 Y HA 0.495 5.064 4.550 0.031 0.000 0.334 333 Y C -0.517 175.500 175.900 0.195 0.000 1.002 333 Y CA -0.771 57.229 58.100 -0.168 0.000 1.068 333 Y CB 2.629 41.030 38.460 -0.099 0.000 1.203 333 Y HN 0.464 nan 8.280 nan 0.000 0.443 334 L N 3.650 125.120 121.223 0.411 0.000 2.294 334 L HA 0.897 5.255 4.340 0.030 0.000 0.283 334 L C -0.518 176.533 176.870 0.300 0.000 1.015 334 L CA -0.420 54.685 54.840 0.442 0.000 0.831 334 L CB 0.636 42.985 42.059 0.483 0.000 1.217 334 L HN 0.702 nan 8.230 nan 0.000 0.420 335 A N 4.616 127.576 122.820 0.232 0.000 2.306 335 A HA 0.828 5.166 4.320 0.030 0.000 0.330 335 A C -0.831 176.828 177.584 0.125 0.000 1.146 335 A CA -0.235 51.891 52.037 0.149 0.000 0.827 335 A CB 1.454 20.508 19.000 0.090 0.000 1.178 335 A HN 1.017 nan 8.150 nan 0.000 0.490 336 V N -1.054 118.922 119.914 0.103 0.000 2.735 336 V HA 0.834 4.972 4.120 0.030 0.000 0.310 336 V C 0.327 176.444 176.094 0.038 0.000 1.061 336 V CA -0.592 61.756 62.300 0.080 0.000 0.913 336 V CB 0.954 32.845 31.823 0.114 0.000 1.005 336 V HN 1.787 nan 8.190 nan 0.000 0.428 337 A N 3.040 125.869 122.820 0.015 0.000 2.561 337 A HA 0.527 4.865 4.320 0.030 0.000 0.251 337 A C 1.585 179.173 177.584 0.007 0.000 1.062 337 A CA 0.952 52.992 52.037 0.004 0.000 0.761 337 A CB -0.884 18.114 19.000 -0.004 0.000 0.986 337 A HN 2.839 nan 8.150 nan 0.000 0.510 338 G N 1.517 110.321 108.800 0.006 0.000 2.238 338 G HA2 0.310 4.288 3.960 0.030 0.000 0.217 338 G HA3 0.310 4.288 3.960 0.030 0.000 0.217 338 G C 1.583 176.490 174.900 0.011 0.000 0.996 338 G CA 0.590 45.693 45.100 0.005 0.000 0.632 338 G HN 3.106 nan 8.290 nan 0.000 0.503 339 G N -0.817 107.996 108.800 0.021 0.000 2.758 339 G HA2 0.123 4.101 3.960 0.030 0.000 0.686 339 G HA3 0.123 4.101 3.960 0.030 0.000 0.686 339 G C -0.208 174.711 174.900 0.031 0.000 1.389 339 G CA -0.187 44.931 45.100 0.029 0.000 0.845 339 G HN 1.251 nan 8.290 nan 0.000 0.572 340 L N 0.516 121.762 121.223 0.039 0.000 2.326 340 L HA 0.434 4.792 4.340 0.030 0.000 0.278 340 L C 1.108 177.993 176.870 0.025 0.000 1.092 340 L CA -0.584 54.278 54.840 0.035 0.000 0.810 340 L CB 1.441 43.529 42.059 0.048 0.000 1.153 340 L HN 0.781 nan 8.230 nan 0.000 0.439 341 E N 2.898 123.108 120.200 0.016 0.000 2.376 341 E HA 0.337 4.705 4.350 0.030 0.000 0.266 341 E C -1.107 175.500 176.600 0.012 0.000 1.009 341 E CA -0.395 56.012 56.400 0.011 0.000 0.902 341 E CB 0.964 30.667 29.700 0.005 0.000 0.972 341 E HN 0.418 nan 8.360 nan 0.000 0.439 342 V N 1.552 121.475 119.914 0.014 0.000 3.049 342 V HA 0.556 4.694 4.120 0.030 0.000 0.309 342 V C -0.712 175.393 176.094 0.018 0.000 1.148 342 V CA -1.173 61.136 62.300 0.014 0.000 0.990 342 V CB 1.960 33.796 31.823 0.022 0.000 1.039 342 V HN 0.632 nan 8.190 nan 0.000 0.430 343 R N 3.204 123.714 120.500 0.018 0.000 2.233 343 R HA 0.477 4.835 4.340 0.030 0.000 0.334 343 R C -2.584 173.747 176.300 0.051 0.000 1.037 343 R CA -1.635 54.482 56.100 0.028 0.000 0.920 343 R CB 1.608 31.920 30.300 0.020 0.000 1.137 343 R HN 0.653 nan 8.270 nan 0.000 0.492 344 P HA 0.051 nan 4.420 nan 0.000 0.274 344 P C -0.967 176.420 177.300 0.145 0.000 1.237 344 P CA -0.173 62.978 63.100 0.084 0.000 0.793 344 P CB 0.667 32.400 31.700 0.055 0.000 0.977 345 F N 3.242 123.191 119.950 -0.001 0.000 2.507 345 F HA 0.343 4.888 4.527 0.030 0.000 0.328 345 F C -0.180 175.637 175.800 0.028 0.000 1.136 345 F CA -1.059 56.942 58.000 0.001 0.000 0.930 345 F CB 0.627 39.618 39.000 -0.016 0.000 1.166 345 F HN 0.055 nan 8.300 nan 0.000 0.436 346 L N 6.113 126.977 121.223 -0.599 0.000 3.739 346 L HA -0.121 4.237 4.340 0.030 0.000 0.442 346 L C 1.091 177.877 176.870 -0.141 0.000 1.241 346 L CA 1.332 55.913 54.840 -0.432 0.000 0.819 346 L CB -1.790 39.909 42.059 -0.600 0.000 1.679 346 L HN 1.222 nan 8.230 nan 0.000 0.889 347 G N -2.104 106.657 108.800 -0.065 0.000 2.157 347 G HA2 -0.133 3.846 3.960 0.030 0.000 0.248 347 G HA3 -0.133 3.846 3.960 0.030 0.000 0.248 347 G C 0.266 175.196 174.900 0.050 0.000 0.979 347 G CA 0.596 45.702 45.100 0.011 0.000 0.650 347 G HN 1.157 nan 8.290 nan 0.000 0.529 348 S N -1.526 114.202 115.700 0.047 0.000 2.537 348 S HA 0.766 5.255 4.470 0.030 0.000 0.270 348 S C 0.526 175.171 174.600 0.075 0.000 1.142 348 S CA 0.556 58.790 58.200 0.057 0.000 0.870 348 S CB 1.469 64.681 63.200 0.021 0.000 1.112 348 S HN 1.687 nan 8.310 nan 0.000 0.466 349 A N 2.195 125.049 122.820 0.058 0.000 2.348 349 A HA 0.502 4.840 4.320 0.030 0.000 0.224 349 A C 0.636 178.244 177.584 0.040 0.000 1.227 349 A CA -0.077 51.992 52.037 0.053 0.000 0.885 349 A CB -0.216 18.809 19.000 0.042 0.000 0.933 349 A HN 0.642 nan 8.150 nan 0.000 0.506 350 S N 2.480 118.199 115.700 0.032 0.000 2.576 350 S HA 0.383 4.871 4.470 0.030 0.000 0.276 350 S C -2.403 172.211 174.600 0.022 0.000 1.339 350 S CA -0.696 57.515 58.200 0.018 0.000 1.039 350 S CB 0.608 63.801 63.200 -0.013 0.000 0.902 350 S HN 0.400 nan 8.310 nan 0.000 0.516 351 P HA 0.232 nan 4.420 nan 0.000 0.278 351 P C -1.092 176.215 177.300 0.012 0.000 1.238 351 P CA -0.327 62.777 63.100 0.006 0.000 0.794 351 P CB 0.601 32.302 31.700 0.001 0.000 0.955 352 D N 2.780 123.188 120.400 0.013 0.000 2.432 352 D HA 0.174 4.832 4.640 0.030 0.000 0.265 352 D C 1.223 177.533 176.300 0.016 0.000 1.160 352 D CA -0.408 53.603 54.000 0.020 0.000 0.911 352 D CB 0.328 41.156 40.800 0.046 0.000 1.052 352 D HN 0.161 nan 8.370 nan 0.000 0.508 353 L N 2.052 123.285 121.223 0.017 0.000 2.083 353 L HA -0.075 4.283 4.340 0.030 0.000 0.209 353 L C 2.599 179.489 176.870 0.033 0.000 1.083 353 L CA 0.670 55.525 54.840 0.025 0.000 0.752 353 L CB -0.207 41.872 42.059 0.033 0.000 0.899 353 L HN 0.299 nan 8.230 nan 0.000 0.433 354 R N 0.626 121.141 120.500 0.025 0.000 2.103 354 R HA -0.171 4.187 4.340 0.030 0.000 0.242 354 R C 1.974 178.300 176.300 0.043 0.000 1.142 354 R CA 1.703 57.818 56.100 0.025 0.000 0.960 354 R CB -0.425 29.872 30.300 -0.006 0.000 0.858 354 R HN 0.391 nan 8.270 nan 0.000 0.439 355 G N -0.437 108.390 108.800 0.045 0.000 2.985 355 G HA2 -0.054 3.924 3.960 0.030 0.000 0.209 355 G HA3 -0.054 3.924 3.960 0.030 0.000 0.209 355 G C -0.144 174.854 174.900 0.164 0.000 1.165 355 G CA -0.046 45.123 45.100 0.115 0.000 0.776 355 G HN 0.397 nan 8.290 nan 0.000 0.541 356 R N -1.151 119.392 120.500 0.071 0.000 3.422 356 R HA -0.162 4.196 4.340 0.030 0.000 0.267 356 R C -0.624 175.633 176.300 -0.071 0.000 1.074 356 R CA 0.461 56.573 56.100 0.021 0.000 0.718 356 R CB -2.326 27.998 30.300 0.040 0.000 1.157 356 R HN 0.393 nan 8.270 nan 0.000 0.440 357 I N 0.899 121.419 120.570 -0.083 0.000 2.328 357 I HA 0.425 4.613 4.170 0.030 0.000 0.287 357 I C 1.214 177.272 176.117 -0.098 0.000 1.012 357 I CA 0.541 61.736 61.300 -0.175 0.000 1.195 357 I CB 1.645 39.536 38.000 -0.181 0.000 1.350 357 I HN 0.438 nan 8.210 nan 0.000 0.464 358 G N 5.760 114.489 108.800 -0.117 0.000 2.796 358 G HA2 -0.134 3.844 3.960 0.030 0.000 0.571 358 G HA3 -0.134 3.844 3.960 0.030 0.000 0.571 358 G C -0.761 174.087 174.900 -0.086 0.000 1.370 358 G CA -0.402 44.642 45.100 -0.094 0.000 0.856 358 G HN 0.936 nan 8.290 nan 0.000 0.538 359 R N -1.465 118.970 120.500 -0.109 0.000 2.728 359 R HA 0.712 5.070 4.340 0.030 0.000 0.274 359 R C -3.236 173.004 176.300 -0.101 0.000 1.030 359 R CA -1.546 54.494 56.100 -0.100 0.000 0.876 359 R CB 0.596 30.781 30.300 -0.192 0.000 1.259 359 R HN 0.534 nan 8.270 nan 0.000 0.468 360 P HA 0.134 nan 4.420 nan 0.000 0.272 360 P C -0.384 176.869 177.300 -0.079 0.000 1.240 360 P CA -0.508 62.599 63.100 0.012 0.000 0.791 360 P CB 0.433 32.204 31.700 0.118 0.000 0.978 361 L N 0.774 121.992 121.223 -0.009 0.000 2.483 361 L HA 0.126 4.484 4.340 0.030 0.000 0.276 361 L C 0.093 177.070 176.870 0.178 0.000 1.213 361 L CA 0.208 55.040 54.840 -0.012 0.000 0.843 361 L CB 0.007 42.091 42.059 0.042 0.000 1.107 361 L HN 0.302 nan 8.230 nan 0.000 0.487 362 W N 0.379 121.695 121.300 0.026 0.000 2.719 362 W HA 0.595 5.272 4.660 0.028 0.000 0.352 362 W C -0.001 176.530 176.519 0.021 0.000 1.085 362 W CA -1.695 55.663 57.345 0.022 0.000 1.187 362 W CB 1.345 30.816 29.460 0.018 0.000 1.417 362 W HN 0.464 nan 8.180 nan 0.000 0.557 363 A N 1.029 123.998 122.820 0.249 0.000 2.540 363 A HA 0.455 4.793 4.320 0.030 0.000 0.239 363 A C 1.217 178.895 177.584 0.156 0.000 1.061 363 A CA 1.545 53.670 52.037 0.146 0.000 0.758 363 A CB -0.499 18.550 19.000 0.082 0.000 0.991 363 A HN 1.699 nan 8.150 nan 0.000 0.502 364 G N 1.711 110.578 108.800 0.112 0.000 2.217 364 G HA2 -0.201 3.777 3.960 0.030 0.000 0.246 364 G HA3 -0.201 3.777 3.960 0.030 0.000 0.246 364 G C 0.003 174.961 174.900 0.095 0.000 0.990 364 G CA 0.328 45.486 45.100 0.097 0.000 0.627 364 G HN 0.860 nan 8.290 nan 0.000 0.522 365 D N 0.438 120.903 120.400 0.108 0.000 2.455 365 D HA 0.435 5.094 4.640 0.030 0.000 0.241 365 D C 0.399 176.722 176.300 0.039 0.000 1.138 365 D CA 0.343 54.380 54.000 0.062 0.000 0.877 365 D CB 1.638 42.459 40.800 0.036 0.000 1.187 365 D HN 0.188 nan 8.370 nan 0.000 0.451 366 V N 4.147 124.072 119.914 0.019 0.000 2.409 366 V HA 0.345 4.483 4.120 0.030 0.000 0.291 366 V C 0.261 176.355 176.094 -0.000 0.000 1.020 366 V CA -0.720 61.585 62.300 0.008 0.000 0.848 366 V CB 1.316 33.140 31.823 0.001 0.000 0.990 366 V HN 0.309 nan 8.190 nan 0.000 0.430 367 L N 3.946 125.170 121.223 0.002 0.000 2.331 367 L HA 0.910 5.268 4.340 0.030 0.000 0.275 367 L C 0.662 177.527 176.870 -0.009 0.000 1.022 367 L CA -0.341 54.502 54.840 0.004 0.000 0.812 367 L CB 1.933 44.008 42.059 0.027 0.000 1.257 367 L HN 0.743 nan 8.230 nan 0.000 0.435 368 G N 1.339 110.136 108.800 -0.006 0.000 2.630 368 G HA2 0.682 4.660 3.960 0.030 0.000 0.296 368 G HA3 0.682 4.660 3.960 0.030 0.000 0.296 368 G C -1.070 173.827 174.900 -0.005 0.000 1.285 368 G CA -0.819 44.273 45.100 -0.014 0.000 0.958 368 G HN 0.352 nan 8.290 nan 0.000 0.479 369 L N 0.470 121.686 121.223 -0.012 0.000 2.371 369 L HA 0.263 4.621 4.340 0.030 0.000 0.272 369 L C 1.639 178.508 176.870 -0.001 0.000 1.124 369 L CA -0.510 54.327 54.840 -0.004 0.000 0.816 369 L CB 1.729 43.781 42.059 -0.012 0.000 1.129 369 L HN 0.760 nan 8.230 nan 0.000 0.448 370 E N 2.471 122.674 120.200 0.005 0.000 2.072 370 E HA -0.005 4.364 4.350 0.030 0.000 0.191 370 E C 0.057 176.658 176.600 0.001 0.000 0.985 370 E CA 1.231 57.634 56.400 0.005 0.000 0.801 370 E CB 0.355 30.061 29.700 0.010 0.000 0.750 370 E HN 0.684 nan 8.360 nan 0.000 0.452 371 A N -0.918 121.902 122.820 -0.000 0.000 2.612 371 A HA 0.496 4.834 4.320 0.030 0.000 0.293 371 A C -1.497 176.084 177.584 -0.005 0.000 1.075 371 A CA -0.794 51.241 52.037 -0.003 0.000 0.680 371 A CB 0.708 19.707 19.000 -0.002 0.000 1.279 371 A HN 0.096 nan 8.150 nan 0.000 0.411 372 L N 2.027 123.246 121.223 -0.007 0.000 2.385 372 L HA 0.389 4.747 4.340 0.030 0.000 0.281 372 L C 0.077 176.943 176.870 -0.006 0.000 1.106 372 L CA -0.057 54.778 54.840 -0.008 0.000 0.856 372 L CB 0.101 42.154 42.059 -0.009 0.000 1.186 372 L HN 0.512 nan 8.230 nan 0.000 0.453 373 R N 4.226 124.723 120.500 -0.005 0.000 2.585 373 R HA 0.316 4.675 4.340 0.030 0.000 0.278 373 R C -2.508 173.790 176.300 -0.004 0.000 1.663 373 R CA -1.598 54.500 56.100 -0.004 0.000 1.592 373 R CB 0.919 31.217 30.300 -0.003 0.000 1.200 373 R HN 0.327 nan 8.270 nan 0.000 0.611 374 P HA 0.139 nan 4.420 nan 0.000 0.271 374 P C -0.225 177.075 177.300 0.000 0.000 1.216 374 P CA -0.127 62.972 63.100 -0.001 0.000 0.771 374 P CB 1.521 33.221 31.700 -0.000 0.000 0.864 375 V N 1.996 121.911 119.914 0.001 0.000 3.007 375 V HA 0.733 4.871 4.120 0.030 0.000 0.311 375 V C -0.115 175.984 176.094 0.008 0.000 1.120 375 V CA -0.812 61.489 62.300 0.003 0.000 0.980 375 V CB 2.162 33.985 31.823 -0.001 0.000 1.033 375 V HN 0.787 nan 8.190 nan 0.000 0.429 376 R N 5.396 125.904 120.500 0.013 0.000 2.401 376 R HA 0.594 4.952 4.340 0.030 0.000 0.299 376 R C -2.560 173.755 176.300 0.025 0.000 1.064 376 R CA -0.800 55.312 56.100 0.020 0.000 1.000 376 R CB -0.699 29.614 30.300 0.021 0.000 0.973 376 R HN 0.779 nan 8.270 nan 0.000 0.438 377 P HA 0.403 nan 4.420 nan 0.000 0.276 377 P C 0.524 177.862 177.300 0.063 0.000 1.261 377 P CA 0.797 63.925 63.100 0.046 0.000 0.800 377 P CB 1.076 32.816 31.700 0.066 0.000 1.066 378 G N -0.280 108.572 108.800 0.086 0.000 2.142 378 G HA2 -0.195 3.783 3.960 0.030 0.000 0.225 378 G HA3 -0.195 3.783 3.960 0.030 0.000 0.225 378 G C 0.109 175.054 174.900 0.075 0.000 1.015 378 G CA -0.427 44.727 45.100 0.090 0.000 0.716 378 G HN 0.589 nan 8.290 nan 0.000 0.508 379 R N -0.052 120.491 120.500 0.072 0.000 2.490 379 R HA 0.704 5.062 4.340 0.030 0.000 0.278 379 R C 0.275 176.628 176.300 0.088 0.000 1.069 379 R CA 0.551 56.693 56.100 0.070 0.000 1.080 379 R CB 1.293 31.627 30.300 0.057 0.000 1.030 379 R HN 0.817 nan 8.270 nan 0.000 0.491 380 A N 2.390 125.267 122.820 0.095 0.000 2.549 380 A HA 0.660 4.998 4.320 0.030 0.000 0.297 380 A C -1.791 175.884 177.584 0.152 0.000 1.061 380 A CA -0.570 51.529 52.037 0.104 0.000 0.690 380 A CB 1.429 20.468 19.000 0.065 0.000 1.287 380 A HN 0.623 nan 8.150 nan 0.000 0.402 381 F N 2.616 122.554 119.950 -0.019 0.000 2.581 381 F HA 0.690 5.234 4.527 0.029 0.000 0.311 381 F C -2.375 173.401 175.800 -0.040 0.000 1.113 381 F CA -1.812 56.169 58.000 -0.031 0.000 0.935 381 F CB 2.575 41.548 39.000 -0.044 0.000 1.232 381 F HN 0.410 nan 8.300 nan 0.000 0.445 382 P HA 0.113 nan 4.420 nan 0.000 0.271 382 P C -1.402 175.873 177.300 -0.042 0.000 1.226 382 P CA -0.056 62.900 63.100 -0.239 0.000 0.765 382 P CB 0.907 32.407 31.700 -0.333 0.000 0.835 383 Q N 2.358 122.168 119.800 0.017 0.000 2.299 383 Q HA 0.188 4.546 4.340 0.030 0.000 0.246 383 Q C 0.763 176.816 176.000 0.088 0.000 0.935 383 Q CA -0.556 55.280 55.803 0.055 0.000 0.887 383 Q CB 1.095 29.808 28.738 -0.042 0.000 1.223 383 Q HN 0.485 nan 8.270 nan 0.000 0.439 384 R N 1.867 122.423 120.500 0.093 0.000 2.643 384 R HA 0.284 4.642 4.340 0.030 0.000 0.270 384 R C -2.269 174.164 176.300 0.221 0.000 1.061 384 R CA -1.392 54.763 56.100 0.092 0.000 1.107 384 R CB -0.583 29.705 30.300 -0.021 0.000 0.999 384 R HN 0.285 nan 8.270 nan 0.000 0.460 385 P HA -0.010 nan 4.420 nan 0.000 0.271 385 P C -0.986 176.427 177.300 0.189 0.000 1.218 385 P CA -0.396 62.817 63.100 0.189 0.000 0.780 385 P CB 0.641 32.413 31.700 0.120 0.000 0.901 386 L N 5.674 126.950 121.223 0.089 0.000 2.262 386 L HA 0.453 4.811 4.340 0.030 0.000 0.288 386 L C -2.230 174.646 176.870 0.011 0.000 1.035 386 L CA -2.349 52.436 54.840 -0.091 0.000 0.820 386 L CB 0.532 42.313 42.059 -0.463 0.000 1.204 386 L HN 0.248 nan 8.230 nan 0.000 0.424 387 P HA 0.195 nan 4.420 nan 0.000 0.274 387 P C -0.046 177.315 177.300 0.102 0.000 1.237 387 P CA -0.282 62.868 63.100 0.083 0.000 0.793 387 P CB 0.880 32.636 31.700 0.093 0.000 0.977 388 E N 0.099 120.319 120.200 0.033 0.000 2.106 388 E HA -0.008 4.360 4.350 0.030 0.000 0.192 388 E C 0.722 177.240 176.600 -0.136 0.000 0.984 388 E CA 0.982 57.359 56.400 -0.039 0.000 0.806 388 E CB -0.234 29.445 29.700 -0.035 0.000 0.750 388 E HN 0.580 nan 8.360 nan 0.000 0.458 389 A N 0.968 123.749 122.820 -0.065 0.000 2.337 389 A HA 0.532 4.870 4.320 0.030 0.000 0.329 389 A C -0.763 176.874 177.584 0.089 0.000 1.146 389 A CA -0.570 51.406 52.037 -0.102 0.000 0.800 389 A CB 0.605 19.604 19.000 -0.001 0.000 1.220 389 A HN -0.102 nan 8.150 nan 0.000 0.472 390 F N 1.571 121.461 119.950 -0.100 0.000 2.385 390 F HA 0.516 5.059 4.527 0.027 0.000 0.336 390 F C 0.846 176.580 175.800 -0.111 0.000 1.100 390 F CA -0.922 56.988 58.000 -0.150 0.000 1.116 390 F CB 1.147 40.012 39.000 -0.225 0.000 1.166 390 F HN 0.421 nan 8.300 nan 0.000 0.511 391 R N 4.291 124.844 120.500 0.088 0.000 2.288 391 R HA 0.514 4.872 4.340 0.030 0.000 0.326 391 R C -1.235 175.059 176.300 -0.011 0.000 0.959 391 R CA -0.549 55.569 56.100 0.029 0.000 0.834 391 R CB 1.311 31.626 30.300 0.025 0.000 1.157 391 R HN 0.608 nan 8.270 nan 0.000 0.470 392 L N 3.914 125.116 121.223 -0.036 0.000 2.305 392 L HA 0.522 4.881 4.340 0.030 0.000 0.284 392 L C 0.479 177.434 176.870 0.141 0.000 1.013 392 L CA -0.794 54.061 54.840 0.025 0.000 0.819 392 L CB 1.644 43.708 42.059 0.010 0.000 1.227 392 L HN 0.292 nan 8.230 nan 0.000 0.417 393 R N 3.336 123.908 120.500 0.120 0.000 2.438 393 R HA 0.536 4.894 4.340 0.030 0.000 0.287 393 R C -0.792 175.597 176.300 0.148 0.000 1.077 393 R CA -0.296 55.883 56.100 0.132 0.000 1.034 393 R CB 0.840 31.205 30.300 0.109 0.000 0.993 393 R HN 0.488 nan 8.270 nan 0.000 0.459 394 L N 4.241 125.540 121.223 0.127 0.000 2.325 394 L HA 0.520 4.878 4.340 0.030 0.000 0.278 394 L C -0.500 176.542 176.870 0.287 0.000 1.023 394 L CA -0.784 54.117 54.840 0.101 0.000 0.811 394 L CB 1.314 43.236 42.059 -0.229 0.000 1.249 394 L HN 0.386 nan 8.230 nan 0.000 0.431 395 L N 2.825 124.236 121.223 0.314 0.000 2.333 395 L HA 0.555 4.913 4.340 0.030 0.000 0.269 395 L C -2.352 174.746 176.870 0.380 0.000 1.010 395 L CA -2.172 52.855 54.840 0.313 0.000 0.818 395 L CB 1.930 44.097 42.059 0.180 0.000 1.306 395 L HN 0.277 nan 8.230 nan 0.000 0.430 396 P HA 0.018 nan 4.420 nan 0.000 0.264 396 P C -0.252 177.146 177.300 0.163 0.000 1.183 396 P CA 0.141 63.254 63.100 0.021 0.000 0.763 396 P CB 0.552 32.009 31.700 -0.404 0.000 0.807 397 G N 4.029 112.979 108.800 0.251 0.000 2.511 397 G HA2 0.374 4.352 3.960 0.030 0.000 0.316 397 G HA3 0.374 4.352 3.960 0.030 0.000 0.316 397 G C -1.725 173.246 174.900 0.119 0.000 1.210 397 G CA -1.368 43.839 45.100 0.180 0.000 0.969 397 G HN 0.233 nan 8.290 nan 0.000 0.492 398 P HA -0.055 nan 4.420 nan 0.000 0.220 398 P C 0.477 177.737 177.300 -0.066 0.000 1.148 398 P CA 1.023 64.049 63.100 -0.123 0.000 0.803 398 P CB 0.389 31.771 31.700 -0.530 0.000 0.782 399 Q N -0.618 119.172 119.800 -0.017 0.000 2.341 399 Q HA 0.253 4.611 4.340 0.030 0.000 0.325 399 Q C -0.255 175.777 176.000 0.053 0.000 0.920 399 Q CA -0.723 55.085 55.803 0.008 0.000 1.065 399 Q CB -1.188 27.542 28.738 -0.013 0.000 1.218 399 Q HN 0.152 nan 8.270 nan 0.000 0.434 400 F N 1.271 121.195 119.950 -0.044 0.000 2.623 400 F HA 0.170 4.715 4.527 0.030 0.000 0.386 400 F C 0.003 175.778 175.800 -0.042 0.000 1.068 400 F CA -0.009 57.958 58.000 -0.055 0.000 1.265 400 F CB 0.411 39.339 39.000 -0.121 0.000 1.026 400 F HN 0.207 nan 8.300 nan 0.000 0.568 401 A N 4.917 127.212 122.820 -0.876 0.000 2.427 401 A HA 0.525 4.863 4.320 0.030 0.000 0.298 401 A C 0.665 177.703 177.584 -0.911 0.000 1.036 401 A CA -0.205 51.420 52.037 -0.687 0.000 0.701 401 A CB 1.014 19.845 19.000 -0.283 0.000 1.250 401 A HN 1.085 nan 8.150 nan 0.000 0.412 402 G N 0.725 109.128 108.800 -0.661 0.000 2.440 402 G HA2 0.001 3.979 3.960 0.030 0.000 0.218 402 G HA3 0.001 3.979 3.960 0.030 0.000 0.218 402 G C 1.213 176.038 174.900 -0.124 0.000 1.154 402 G CA 2.146 47.052 45.100 -0.323 0.000 0.767 402 G HN 1.156 nan 8.290 nan 0.000 0.552 403 E N 0.850 120.983 120.200 -0.111 0.000 2.072 403 E HA 0.164 4.532 4.350 0.030 0.000 0.191 403 E C 2.691 179.272 176.600 -0.032 0.000 0.985 403 E CA 1.813 58.187 56.400 -0.044 0.000 0.801 403 E CB -0.828 28.848 29.700 -0.041 0.000 0.750 403 E HN 0.648 nan 8.360 nan 0.000 0.452 404 A N -0.518 122.258 122.820 -0.073 0.000 1.877 404 A HA 0.070 4.409 4.320 0.030 0.000 0.216 404 A C 2.232 179.812 177.584 -0.006 0.000 1.186 404 A CA 1.489 53.498 52.037 -0.047 0.000 0.620 404 A CB -0.634 18.320 19.000 -0.077 0.000 0.822 404 A HN 0.514 nan 8.150 nan 0.000 0.443 405 F N -0.038 119.798 119.950 -0.191 0.000 2.095 405 F HA -0.191 4.355 4.527 0.031 0.000 0.298 405 F C 2.677 178.468 175.800 -0.016 0.000 1.104 405 F CA 1.844 59.784 58.000 -0.100 0.000 1.232 405 F CB -0.062 38.901 39.000 -0.060 0.000 0.987 405 F HN 0.114 nan 8.300 nan 0.000 0.475 406 R N -0.270 120.317 120.500 0.145 0.000 2.081 406 R HA -0.188 4.170 4.340 0.030 0.000 0.235 406 R C 2.391 178.732 176.300 0.069 0.000 1.131 406 R CA 1.226 57.386 56.100 0.100 0.000 0.960 406 R CB -0.744 29.607 30.300 0.085 0.000 0.856 406 R HN 0.344 nan 8.270 nan 0.000 0.436 407 A N 1.120 123.975 122.820 0.057 0.000 1.877 407 A HA -0.154 4.184 4.320 0.030 0.000 0.216 407 A C 2.174 179.863 177.584 0.176 0.000 1.186 407 A CA 1.210 53.300 52.037 0.088 0.000 0.620 407 A CB -0.615 18.428 19.000 0.071 0.000 0.822 407 A HN 0.208 nan 8.150 nan 0.000 0.443 408 L N -0.846 120.422 121.223 0.076 0.000 2.079 408 L HA -0.243 4.116 4.340 0.030 0.000 0.210 408 L C 1.968 178.978 176.870 0.233 0.000 1.081 408 L CA 1.122 55.978 54.840 0.028 0.000 0.752 408 L CB -0.467 41.302 42.059 -0.484 0.000 0.896 408 L HN 0.478 nan 8.230 nan 0.000 0.433 409 C N -0.918 118.443 119.300 0.102 0.000 2.625 409 C HA 0.065 4.543 4.460 0.030 0.000 0.285 409 C C 2.698 177.789 174.990 0.168 0.000 1.279 409 C CA 0.334 59.444 59.018 0.153 0.000 1.698 409 C CB -1.349 26.429 27.740 0.062 0.000 1.821 409 C HN 0.606 nan 8.230 nan 0.000 0.600 410 S N 0.173 115.976 115.700 0.170 0.000 2.470 410 S HA 0.380 4.868 4.470 0.030 0.000 0.225 410 S C 0.812 175.460 174.600 0.080 0.000 1.006 410 S CA 0.745 59.007 58.200 0.104 0.000 0.934 410 S CB 0.226 63.466 63.200 0.068 0.000 0.778 410 S HN 0.678 nan 8.310 nan 0.000 0.517 411 G N 0.847 109.702 108.800 0.092 0.000 2.441 411 G HA2 0.498 4.476 3.960 0.030 0.000 0.294 411 G HA3 0.498 4.476 3.960 0.030 0.000 0.294 411 G C -3.535 171.325 174.900 -0.066 0.000 1.393 411 G CA -1.035 44.074 45.100 0.015 0.000 0.796 411 G HN 0.054 nan 8.290 nan 0.000 0.494 412 P HA 0.437 nan 4.420 nan 0.000 0.268 412 P C -1.039 176.064 177.300 -0.327 0.000 1.205 412 P CA 0.111 62.948 63.100 -0.439 0.000 0.771 412 P CB 0.629 32.061 31.700 -0.447 0.000 0.858 413 F N 1.720 121.500 119.950 -0.284 0.000 2.557 413 F HA 0.549 5.094 4.527 0.029 0.000 0.336 413 F C 1.248 176.934 175.800 -0.191 0.000 1.058 413 F CA -0.558 57.346 58.000 -0.160 0.000 0.988 413 F CB 1.396 40.355 39.000 -0.069 0.000 1.275 413 F HN 0.027 nan 8.300 nan 0.000 0.488 414 R N 0.440 120.980 120.500 0.067 0.000 2.686 414 R HA 0.496 4.854 4.340 0.030 0.000 0.283 414 R C -1.625 174.683 176.300 0.013 0.000 0.978 414 R CA -0.989 55.098 56.100 -0.021 0.000 0.897 414 R CB 2.163 32.433 30.300 -0.051 0.000 1.192 414 R HN 0.360 nan 8.270 nan 0.000 0.457 415 V N 2.901 122.795 119.914 -0.034 0.000 2.446 415 V HA 0.026 4.164 4.120 0.030 0.000 0.276 415 V C 1.344 177.438 176.094 0.000 0.000 1.030 415 V CA 0.556 62.850 62.300 -0.011 0.000 1.033 415 V CB 0.855 32.657 31.823 -0.035 0.000 0.993 415 V HN 0.972 nan 8.190 nan 0.000 0.477 416 A N 6.241 129.073 122.820 0.020 0.000 1.911 416 A HA 0.243 4.581 4.320 0.030 0.000 0.212 416 A C 1.099 178.692 177.584 0.014 0.000 1.189 416 A CA 0.671 52.717 52.037 0.015 0.000 0.639 416 A CB 0.209 19.223 19.000 0.023 0.000 0.839 416 A HN 0.710 nan 8.150 nan 0.000 0.449 417 R N -2.140 118.375 120.500 0.025 0.000 2.668 417 R HA 0.644 5.003 4.340 0.030 0.000 0.272 417 R C -1.616 174.712 176.300 0.046 0.000 1.019 417 R CA -0.016 56.100 56.100 0.028 0.000 0.894 417 R CB 2.278 32.593 30.300 0.024 0.000 1.228 417 R HN 0.354 nan 8.270 nan 0.000 0.460 418 A N 1.980 124.838 122.820 0.063 0.000 2.437 418 A HA 0.602 4.940 4.320 0.030 0.000 0.293 418 A C -1.564 176.089 177.584 0.115 0.000 1.038 418 A CA -0.633 51.460 52.037 0.093 0.000 0.708 418 A CB 1.255 20.327 19.000 0.121 0.000 1.251 418 A HN 0.793 nan 8.150 nan 0.000 0.409 419 D N 0.799 121.258 120.400 0.099 0.000 2.921 419 D HA 0.292 4.950 4.640 0.030 0.000 0.329 419 D C 0.493 176.846 176.300 0.089 0.000 1.293 419 D CA -0.641 53.424 54.000 0.107 0.000 0.964 419 D CB 0.222 41.070 40.800 0.079 0.000 1.435 419 D HN 0.246 nan 8.370 nan 0.000 0.548 420 R N -0.549 119.999 120.500 0.080 0.000 2.189 420 R HA 0.108 4.466 4.340 0.030 0.000 0.218 420 R C 1.768 178.095 176.300 0.046 0.000 1.074 420 R CA 0.691 56.830 56.100 0.064 0.000 0.991 420 R CB -0.208 30.128 30.300 0.060 0.000 0.883 420 R HN 0.228 nan 8.270 nan 0.000 0.457 421 V N -0.351 119.587 119.914 0.040 0.000 2.346 421 V HA 0.085 4.224 4.120 0.030 0.000 0.244 421 V C 1.200 177.311 176.094 0.029 0.000 1.037 421 V CA 1.543 63.858 62.300 0.025 0.000 1.029 421 V CB 0.093 31.928 31.823 0.020 0.000 0.663 421 V HN 0.550 nan 8.190 nan 0.000 0.454 422 G N -1.427 107.397 108.800 0.040 0.000 2.430 422 G HA2 0.478 4.456 3.960 0.030 0.000 0.300 422 G HA3 0.478 4.456 3.960 0.030 0.000 0.300 422 G C -2.069 172.862 174.900 0.051 0.000 1.330 422 G CA -0.297 44.829 45.100 0.043 0.000 0.813 422 G HN -0.051 nan 8.290 nan 0.000 0.487 423 V N 0.794 120.739 119.914 0.052 0.000 2.407 423 V HA 0.503 4.642 4.120 0.030 0.000 0.291 423 V C 0.015 176.139 176.094 0.049 0.000 1.018 423 V CA -0.628 61.706 62.300 0.056 0.000 0.842 423 V CB 1.322 33.184 31.823 0.066 0.000 0.996 423 V HN 0.813 nan 8.190 nan 0.000 0.426 424 E N 4.103 124.331 120.200 0.046 0.000 2.283 424 E HA 0.508 4.876 4.350 0.030 0.000 0.278 424 E C -1.549 175.086 176.600 0.058 0.000 1.027 424 E CA -0.691 55.735 56.400 0.044 0.000 0.843 424 E CB 1.225 30.947 29.700 0.037 0.000 1.062 424 E HN 0.390 nan 8.360 nan 0.000 0.401 425 L N 4.778 126.049 121.223 0.079 0.000 2.346 425 L HA 0.400 4.758 4.340 0.030 0.000 0.276 425 L C -0.854 176.138 176.870 0.204 0.000 1.006 425 L CA -0.800 54.131 54.840 0.152 0.000 0.817 425 L CB 1.356 43.506 42.059 0.152 0.000 1.272 425 L HN 0.502 nan 8.230 nan 0.000 0.421 426 L N 0.801 122.142 121.223 0.196 0.000 2.333 426 L HA 1.110 5.468 4.340 0.030 0.000 0.280 426 L C 0.091 176.992 176.870 0.051 0.000 1.004 426 L CA 0.117 55.027 54.840 0.117 0.000 0.820 426 L CB 1.620 43.699 42.059 0.033 0.000 1.247 426 L HN 0.632 nan 8.230 nan 0.000 0.416 427 G N 2.160 110.892 108.800 -0.113 0.000 2.392 427 G HA2 0.425 4.403 3.960 0.030 0.000 0.260 427 G HA3 0.425 4.403 3.960 0.030 0.000 0.260 427 G C -3.144 171.436 174.900 -0.533 0.000 1.226 427 G CA -0.690 44.043 45.100 -0.611 0.000 0.913 427 G HN 0.532 nan 8.290 nan 0.000 0.483 428 P HA 0.235 nan 4.420 nan 0.000 0.266 428 P C -0.138 177.112 177.300 -0.084 0.000 1.193 428 P CA 0.054 62.965 63.100 -0.315 0.000 0.770 428 P CB 0.557 32.095 31.700 -0.270 0.000 0.836 429 E N 1.394 121.575 120.200 -0.032 0.000 2.465 429 E HA 0.130 4.499 4.350 0.030 0.000 0.260 429 E C -1.041 175.594 176.600 0.057 0.000 0.980 429 E CA -0.101 56.310 56.400 0.018 0.000 0.927 429 E CB 0.315 30.013 29.700 -0.003 0.000 0.934 429 E HN 0.093 nan 8.360 nan 0.000 0.459 430 V N 7.365 127.322 119.914 0.071 0.000 2.444 430 V HA 0.315 4.453 4.120 0.030 0.000 0.294 430 V C -2.119 173.979 176.094 0.006 0.000 1.022 430 V CA -1.773 60.558 62.300 0.051 0.000 0.850 430 V CB 1.445 33.305 31.823 0.061 0.000 0.992 430 V HN 0.756 nan 8.190 nan 0.000 0.426 431 P HA 0.332 nan 4.420 nan 0.000 0.268 431 P C 0.093 177.376 177.300 -0.028 0.000 1.204 431 P CA 0.454 63.543 63.100 -0.019 0.000 0.768 431 P CB 1.256 32.941 31.700 -0.024 0.000 0.842 432 G N 0.511 109.295 108.800 -0.026 0.000 3.251 432 G HA2 0.809 4.787 3.960 0.030 0.000 0.248 432 G HA3 0.809 4.787 3.960 0.030 0.000 0.248 432 G C -0.822 174.079 174.900 0.002 0.000 1.320 432 G CA -0.624 44.462 45.100 -0.023 0.000 0.982 432 G HN 0.750 nan 8.290 nan 0.000 0.575 433 G N -1.585 107.238 108.800 0.038 0.000 2.506 433 G HA2 0.547 4.525 3.960 0.030 0.000 0.292 433 G HA3 0.547 4.525 3.960 0.030 0.000 0.292 433 G C -2.008 172.992 174.900 0.167 0.000 1.425 433 G CA -0.339 44.803 45.100 0.070 0.000 0.788 433 G HN 0.628 nan 8.290 nan 0.000 0.490 434 E N -0.992 119.290 120.200 0.137 0.000 2.343 434 E HA 0.643 5.011 4.350 0.030 0.000 0.278 434 E C -0.216 176.405 176.600 0.035 0.000 0.910 434 E CA -0.484 56.000 56.400 0.139 0.000 0.757 434 E CB 2.182 31.994 29.700 0.188 0.000 1.218 434 E HN 1.052 nan 8.360 nan 0.000 0.435 435 G N 2.236 111.032 108.800 -0.006 0.000 2.846 435 G HA2 0.386 4.364 3.960 0.030 0.000 0.299 435 G HA3 0.386 4.364 3.960 0.030 0.000 0.299 435 G C -0.944 173.909 174.900 -0.077 0.000 1.242 435 G CA -0.889 44.182 45.100 -0.047 0.000 0.800 435 G HN 0.466 nan 8.290 nan 0.000 0.538 436 L N 1.183 122.331 121.223 -0.125 0.000 2.506 436 L HA 0.195 4.553 4.340 0.030 0.000 0.281 436 L C 0.960 177.838 176.870 0.014 0.000 1.228 436 L CA -0.121 54.616 54.840 -0.172 0.000 0.850 436 L CB 0.706 42.491 42.059 -0.456 0.000 1.110 436 L HN 0.371 nan 8.230 nan 0.000 0.496 437 S N 1.608 117.415 115.700 0.177 0.000 2.549 437 S HA 0.108 4.596 4.470 0.030 0.000 0.286 437 S C -0.084 174.726 174.600 0.350 0.000 1.314 437 S CA -0.363 58.020 58.200 0.305 0.000 1.062 437 S CB 0.288 63.788 63.200 0.501 0.000 0.865 437 S HN 0.626 nan 8.310 nan 0.000 0.498 438 E N 2.323 122.663 120.200 0.234 0.000 2.410 438 E HA 0.572 4.941 4.350 0.030 0.000 0.269 438 E C -3.282 173.424 176.600 0.177 0.000 0.937 438 E CA -2.802 53.740 56.400 0.237 0.000 0.793 438 E CB 1.055 30.868 29.700 0.188 0.000 1.314 438 E HN 0.167 nan 8.360 nan 0.000 0.447 439 P HA 0.047 nan 4.420 nan 0.000 0.268 439 P C -0.566 176.694 177.300 -0.067 0.000 1.205 439 P CA -0.016 63.119 63.100 0.059 0.000 0.771 439 P CB 0.480 32.233 31.700 0.088 0.000 0.858 440 T N 1.163 115.658 114.554 -0.099 0.000 2.832 440 T HA 0.436 4.805 4.350 0.030 0.000 0.296 440 T C -2.343 172.219 174.700 -0.230 0.000 0.968 440 T CA -2.005 60.029 62.100 -0.109 0.000 1.107 440 T CB 0.247 69.081 68.868 -0.057 0.000 0.916 440 T HN 0.212 nan 8.240 nan 0.000 0.517 441 P HA 0.318 nan 4.420 nan 0.000 0.288 441 P C -0.445 176.869 177.300 0.024 0.000 1.267 441 P CA -1.009 62.002 63.100 -0.147 0.000 0.815 441 P CB 0.913 32.593 31.700 -0.032 0.000 0.989 442 L N 3.400 124.675 121.223 0.086 0.000 2.534 442 L HA 0.318 4.676 4.340 0.030 0.000 0.271 442 L C 1.394 178.305 176.870 0.068 0.000 1.178 442 L CA 1.770 56.651 54.840 0.068 0.000 0.907 442 L CB -1.070 41.033 42.059 0.072 0.000 1.164 442 L HN 0.864 nan 8.230 nan 0.000 0.482 443 G N 2.609 111.442 108.800 0.054 0.000 2.157 443 G HA2 -0.206 3.772 3.960 0.030 0.000 0.248 443 G HA3 -0.206 3.772 3.960 0.030 0.000 0.248 443 G C 0.585 175.517 174.900 0.053 0.000 0.979 443 G CA -0.045 45.089 45.100 0.056 0.000 0.650 443 G HN 1.200 nan 8.290 nan 0.000 0.529 444 G N -0.637 108.191 108.800 0.048 0.000 2.432 444 G HA2 0.520 4.498 3.960 0.030 0.000 0.239 444 G HA3 0.520 4.498 3.960 0.030 0.000 0.239 444 G C 0.214 175.122 174.900 0.013 0.000 1.291 444 G CA 0.345 45.469 45.100 0.042 0.000 0.863 444 G HN 1.021 nan 8.290 nan 0.000 0.560 445 V N 3.279 123.183 119.914 -0.017 0.000 2.304 445 V HA 0.183 4.321 4.120 0.030 0.000 0.262 445 V C 0.497 176.564 176.094 -0.045 0.000 1.061 445 V CA -0.376 61.879 62.300 -0.075 0.000 0.872 445 V CB 0.618 32.315 31.823 -0.211 0.000 1.077 445 V HN 0.828 nan 8.190 nan 0.000 0.480 446 Q N 3.775 123.567 119.800 -0.013 0.000 2.288 446 Q HA 0.521 4.879 4.340 0.030 0.000 0.258 446 Q C -1.224 174.764 176.000 -0.019 0.000 0.957 446 Q CA -0.243 55.575 55.803 0.024 0.000 0.919 446 Q CB 1.512 30.296 28.738 0.076 0.000 1.185 446 Q HN 0.603 nan 8.270 nan 0.000 0.408 447 V N 7.522 127.422 119.914 -0.024 0.000 2.447 447 V HA 0.398 4.537 4.120 0.030 0.000 0.292 447 V C -2.239 173.778 176.094 -0.129 0.000 1.021 447 V CA -1.586 60.665 62.300 -0.081 0.000 0.850 447 V CB 1.291 33.076 31.823 -0.062 0.000 1.005 447 V HN 0.822 nan 8.190 nan 0.000 0.426 448 P HA 0.323 nan 4.420 nan 0.000 0.276 448 P C -2.343 174.835 177.300 -0.203 0.000 1.261 448 P CA -1.747 61.020 63.100 -0.556 0.000 0.800 448 P CB 0.876 31.895 31.700 -1.134 0.000 1.066 449 P HA -0.128 nan 4.420 nan 0.000 0.216 449 P C 0.380 177.657 177.300 -0.039 0.000 1.157 449 P CA 1.888 64.977 63.100 -0.019 0.000 0.880 449 P CB -0.117 31.604 31.700 0.034 0.000 0.791 450 S N -1.826 113.840 115.700 -0.057 0.000 2.614 450 S HA 0.736 5.224 4.470 0.030 0.000 0.288 450 S C -0.234 174.319 174.600 -0.078 0.000 1.137 450 S CA -0.145 58.027 58.200 -0.047 0.000 0.992 450 S CB 1.834 65.026 63.200 -0.013 0.000 1.026 450 S HN 0.403 nan 8.310 nan 0.000 0.486 451 G N 2.347 111.106 108.800 -0.068 0.000 2.369 451 G HA2 0.248 4.226 3.960 0.030 0.000 0.307 451 G HA3 0.248 4.226 3.960 0.030 0.000 0.307 451 G C -1.648 173.220 174.900 -0.054 0.000 1.327 451 G CA -1.239 43.819 45.100 -0.071 0.000 0.963 451 G HN 0.812 nan 8.290 nan 0.000 0.590 452 R N 0.596 121.075 120.500 -0.035 0.000 2.459 452 R HA 0.495 4.854 4.340 0.030 0.000 0.281 452 R C -2.280 174.009 176.300 -0.018 0.000 1.050 452 R CA -1.299 54.805 56.100 0.005 0.000 1.055 452 R CB 0.753 31.069 30.300 0.028 0.000 1.045 452 R HN 0.290 nan 8.270 nan 0.000 0.495 453 P HA -0.039 nan 4.420 nan 0.000 0.266 453 P C -1.168 176.121 177.300 -0.018 0.000 1.195 453 P CA -0.025 63.052 63.100 -0.038 0.000 0.768 453 P CB 0.496 32.144 31.700 -0.087 0.000 0.838 454 L N 4.375 125.585 121.223 -0.020 0.000 2.404 454 L HA 0.344 4.702 4.340 0.030 0.000 0.272 454 L C -1.078 175.797 176.870 0.008 0.000 0.980 454 L CA -0.666 54.179 54.840 0.008 0.000 0.836 454 L CB 1.827 43.901 42.059 0.024 0.000 1.238 454 L HN 0.017 nan 8.230 nan 0.000 0.408 455 V N 6.188 126.115 119.914 0.022 0.000 2.488 455 V HA 0.284 4.422 4.120 0.030 0.000 0.277 455 V C 0.345 176.459 176.094 0.034 0.000 1.046 455 V CA -0.385 61.933 62.300 0.029 0.000 0.986 455 V CB 0.960 32.819 31.823 0.060 0.000 0.989 455 V HN 0.579 nan 8.190 nan 0.000 0.475 456 L N 6.508 127.749 121.223 0.030 0.000 2.305 456 L HA 0.510 4.869 4.340 0.030 0.000 0.281 456 L C 0.030 176.917 176.870 0.030 0.000 1.085 456 L CA 0.030 54.886 54.840 0.027 0.000 0.813 456 L CB 0.717 42.787 42.059 0.019 0.000 1.157 456 L HN 0.490 nan 8.230 nan 0.000 0.436 457 L N 1.520 122.760 121.223 0.028 0.000 2.422 457 L HA 0.558 4.917 4.340 0.030 0.000 0.263 457 L C 1.526 178.409 176.870 0.022 0.000 1.110 457 L CA -0.627 54.232 54.840 0.032 0.000 1.065 457 L CB 0.755 42.838 42.059 0.040 0.000 1.701 457 L HN 0.656 nan 8.230 nan 0.000 0.548 458 A N -0.576 122.259 122.820 0.025 0.000 1.978 458 A HA -0.165 4.173 4.320 0.030 0.000 0.220 458 A C 1.237 178.818 177.584 -0.006 0.000 1.170 458 A CA 1.893 53.935 52.037 0.009 0.000 0.636 458 A CB -0.520 18.489 19.000 0.014 0.000 0.810 458 A HN 0.756 nan 8.150 nan 0.000 0.448 459 D N -0.175 120.227 120.400 0.003 0.000 2.325 459 D HA 0.079 4.737 4.640 0.030 0.000 0.225 459 D C 0.407 176.695 176.300 -0.021 0.000 1.096 459 D CA 0.062 54.058 54.000 -0.006 0.000 0.844 459 D CB -0.050 40.756 40.800 0.009 0.000 0.925 459 D HN 0.704 nan 8.370 nan 0.000 0.513 460 K N 0.212 120.599 120.400 -0.022 0.000 2.518 460 K HA 0.208 4.546 4.320 0.030 0.000 0.276 460 K C 0.789 177.339 176.600 -0.083 0.000 0.974 460 K CA -0.198 56.063 56.287 -0.043 0.000 0.986 460 K CB 0.502 32.984 32.500 -0.029 0.000 0.901 460 K HN -0.101 nan 8.250 nan 0.000 0.497 461 G N 1.551 110.268 108.800 -0.138 0.000 2.554 461 G HA2 -0.016 3.963 3.960 0.030 0.000 0.238 461 G HA3 -0.016 3.963 3.960 0.030 0.000 0.238 461 G C 0.438 175.226 174.900 -0.187 0.000 1.259 461 G CA -0.673 44.293 45.100 -0.224 0.000 0.843 461 G HN 0.679 nan 8.290 nan 0.000 0.582 462 S N 0.168 115.757 115.700 -0.186 0.000 2.428 462 S HA 0.058 4.546 4.470 0.030 0.000 0.230 462 S C 0.829 175.372 174.600 -0.095 0.000 1.014 462 S CA 0.576 58.705 58.200 -0.118 0.000 0.957 462 S CB -0.193 62.937 63.200 -0.117 0.000 0.784 462 S HN 0.357 nan 8.310 nan 0.000 0.499 463 L N -0.028 121.111 121.223 -0.141 0.000 2.388 463 L HA 0.747 5.105 4.340 0.030 0.000 0.264 463 L C -0.108 176.759 176.870 -0.004 0.000 0.998 463 L CA -0.656 54.176 54.840 -0.013 0.000 0.817 463 L CB 2.291 44.402 42.059 0.087 0.000 1.338 463 L HN 0.143 nan 8.230 nan 0.000 0.414 464 G N -0.164 108.702 108.800 0.110 0.000 2.742 464 G HA2 0.462 4.441 3.960 0.030 0.000 0.296 464 G HA3 0.462 4.441 3.960 0.030 0.000 0.296 464 G C 0.082 175.041 174.900 0.099 0.000 1.436 464 G CA 0.053 45.230 45.100 0.129 0.000 0.928 464 G HN 0.707 nan 8.290 nan 0.000 0.520 465 G N -0.676 108.117 108.800 -0.012 0.000 2.744 465 G HA2 0.219 4.197 3.960 0.030 0.000 0.211 465 G HA3 0.219 4.197 3.960 0.030 0.000 0.211 465 G C 0.181 175.042 174.900 -0.065 0.000 1.146 465 G CA 0.196 45.247 45.100 -0.083 0.000 0.787 465 G HN 0.435 nan 8.290 nan 0.000 0.534 466 Y N 1.048 121.392 120.300 0.074 0.000 2.397 466 Y HA 0.497 5.066 4.550 0.030 0.000 0.335 466 Y C 0.962 176.871 175.900 0.016 0.000 1.213 466 Y CA -1.324 56.801 58.100 0.041 0.000 1.391 466 Y CB 0.599 39.085 38.460 0.043 0.000 1.293 466 Y HN 0.143 nan 8.280 nan 0.000 0.557 467 A N 3.455 126.388 122.820 0.188 0.000 2.498 467 A HA 0.290 4.628 4.320 0.030 0.000 0.239 467 A C -0.149 177.469 177.584 0.057 0.000 1.068 467 A CA -0.511 51.572 52.037 0.078 0.000 0.766 467 A CB -0.139 18.887 19.000 0.044 0.000 1.003 467 A HN 0.769 nan 8.150 nan 0.000 0.497 468 K N 3.654 124.070 120.400 0.026 0.000 2.478 468 K HA 0.295 4.634 4.320 0.030 0.000 0.236 468 K C -2.254 174.368 176.600 0.038 0.000 1.021 468 K CA -1.518 54.784 56.287 0.024 0.000 1.010 468 K CB 1.766 34.282 32.500 0.026 0.000 1.331 468 K HN 0.452 nan 8.250 nan 0.000 0.470 469 P HA -0.071 nan 4.420 nan 0.000 0.229 469 P C -0.337 177.098 177.300 0.226 0.000 1.160 469 P CA 0.567 63.710 63.100 0.071 0.000 0.777 469 P CB 0.480 32.177 31.700 -0.005 0.000 0.814 470 A N -0.573 122.351 122.820 0.172 0.000 2.587 470 A HA 0.720 5.058 4.320 0.030 0.000 0.293 470 A C -1.489 176.168 177.584 0.122 0.000 1.087 470 A CA -0.656 51.535 52.037 0.257 0.000 0.692 470 A CB 0.925 19.987 19.000 0.103 0.000 1.291 470 A HN -0.028 nan 8.150 nan 0.000 0.407 471 L N 1.052 122.369 121.223 0.156 0.000 2.365 471 L HA 0.519 4.877 4.340 0.030 0.000 0.273 471 L C -0.464 176.461 176.870 0.092 0.000 1.000 471 L CA -1.168 53.737 54.840 0.110 0.000 0.819 471 L CB 1.915 44.061 42.059 0.144 0.000 1.284 471 L HN 0.448 nan 8.230 nan 0.000 0.418 472 V N 1.796 121.753 119.914 0.071 0.000 2.585 472 V HA -0.048 4.090 4.120 0.030 0.000 0.296 472 V C 0.513 176.665 176.094 0.098 0.000 1.035 472 V CA -0.030 62.327 62.300 0.095 0.000 1.084 472 V CB 0.891 32.774 31.823 0.101 0.000 0.953 472 V HN 0.724 nan 8.190 nan 0.000 0.483 473 D N 8.070 128.534 120.400 0.106 0.000 2.533 473 D HA -0.011 4.648 4.640 0.030 0.000 0.236 473 D C -1.217 175.134 176.300 0.086 0.000 1.137 473 D CA -1.086 52.973 54.000 0.098 0.000 0.867 473 D CB 1.694 42.553 40.800 0.100 0.000 1.170 473 D HN 0.296 nan 8.370 nan 0.000 0.474 474 P HA -0.140 nan 4.420 nan 0.000 0.219 474 P C 1.062 178.417 177.300 0.091 0.000 1.146 474 P CA 1.000 64.139 63.100 0.065 0.000 0.808 474 P CB 0.206 31.925 31.700 0.031 0.000 0.779 475 R N -0.290 120.268 120.500 0.096 0.000 2.193 475 R HA -0.066 4.292 4.340 0.030 0.000 0.229 475 R C 1.102 177.550 176.300 0.247 0.000 1.110 475 R CA 1.080 57.259 56.100 0.133 0.000 0.988 475 R CB -0.377 29.982 30.300 0.099 0.000 0.871 475 R HN 0.234 nan 8.270 nan 0.000 0.458 476 D N -0.072 120.427 120.400 0.164 0.000 2.369 476 D HA 0.039 4.698 4.640 0.030 0.000 0.211 476 D C 1.561 177.821 176.300 -0.068 0.000 1.077 476 D CA 0.090 54.128 54.000 0.063 0.000 0.842 476 D CB 0.294 41.092 40.800 -0.003 0.000 0.947 476 D HN 0.137 nan 8.370 nan 0.000 0.509 477 L N 1.265 122.526 121.223 0.064 0.000 2.079 477 L HA -0.140 4.218 4.340 0.030 0.000 0.210 477 L C 2.596 179.459 176.870 -0.012 0.000 1.081 477 L CA 1.097 55.953 54.840 0.026 0.000 0.752 477 L CB -0.346 41.761 42.059 0.079 0.000 0.896 477 L HN 0.311 nan 8.230 nan 0.000 0.433 478 W N 0.014 121.271 121.300 -0.073 0.000 2.325 478 W HA -0.231 4.445 4.660 0.026 0.000 0.299 478 W C 1.730 178.154 176.519 -0.159 0.000 1.215 478 W CA 0.764 58.062 57.345 -0.079 0.000 1.244 478 W CB -1.349 28.072 29.460 -0.065 0.000 1.140 478 W HN 0.161 nan 8.180 nan 0.000 0.523 479 L N 0.954 121.360 121.223 -1.361 0.000 2.079 479 L HA -0.226 4.132 4.340 0.030 0.000 0.210 479 L C 2.846 179.200 176.870 -0.861 0.000 1.081 479 L CA 1.331 55.214 54.840 -1.595 0.000 0.752 479 L CB -0.833 40.139 42.059 -1.811 0.000 0.896 479 L HN -0.049 nan 8.230 nan 0.000 0.433 480 L N -0.700 120.266 121.223 -0.427 0.000 2.291 480 L HA -0.057 4.301 4.340 0.030 0.000 0.214 480 L C 2.450 179.301 176.870 -0.031 0.000 1.120 480 L CA 0.787 55.561 54.840 -0.111 0.000 0.799 480 L CB -0.834 41.202 42.059 -0.039 0.000 0.925 480 L HN 0.297 nan 8.230 nan 0.000 0.446 481 G N -1.129 107.642 108.800 -0.049 0.000 2.598 481 G HA2 -0.139 3.839 3.960 0.030 0.000 0.215 481 G HA3 -0.139 3.839 3.960 0.030 0.000 0.215 481 G C 1.349 176.270 174.900 0.035 0.000 1.131 481 G CA 0.146 45.270 45.100 0.040 0.000 0.785 481 G HN 0.265 nan 8.290 nan 0.000 0.539 482 Q N -0.154 119.626 119.800 -0.033 0.000 2.179 482 Q HA 0.393 4.751 4.340 0.030 0.000 0.213 482 Q C 0.870 176.944 176.000 0.123 0.000 0.833 482 Q CA -0.181 55.622 55.803 0.000 0.000 0.990 482 Q CB 0.956 29.633 28.738 -0.103 0.000 1.132 482 Q HN 0.377 nan 8.270 nan 0.000 0.493 483 A N 2.204 125.129 122.820 0.176 0.000 2.386 483 A HA 0.510 4.849 4.320 0.030 0.000 0.248 483 A C 0.441 178.084 177.584 0.097 0.000 1.082 483 A CA -0.107 52.051 52.037 0.201 0.000 0.789 483 A CB 0.353 19.473 19.000 0.200 0.000 1.025 483 A HN 0.359 nan 8.150 nan 0.000 0.490 484 R N 0.385 120.914 120.500 0.049 0.000 2.764 484 R HA 0.615 4.973 4.340 0.030 0.000 0.270 484 R C -3.364 172.962 176.300 0.043 0.000 1.014 484 R CA -1.951 54.221 56.100 0.121 0.000 0.904 484 R CB 0.591 30.994 30.300 0.171 0.000 1.236 484 R HN 0.328 nan 8.270 nan 0.000 0.466 485 P HA 0.065 nan 4.420 nan 0.000 0.265 485 P C 0.459 177.745 177.300 -0.023 0.000 1.193 485 P CA 1.711 64.815 63.100 0.008 0.000 0.765 485 P CB 0.792 32.497 31.700 0.008 0.000 0.823 486 G N 1.044 109.815 108.800 -0.049 0.000 2.254 486 G HA2 -0.226 3.752 3.960 0.030 0.000 0.225 486 G HA3 -0.226 3.752 3.960 0.030 0.000 0.225 486 G C 0.107 174.935 174.900 -0.120 0.000 1.003 486 G CA -0.152 44.907 45.100 -0.069 0.000 0.622 486 G HN 0.536 nan 8.290 nan 0.000 0.507 487 V N 2.083 121.893 119.914 -0.173 0.000 2.599 487 V HA 0.325 4.463 4.120 0.030 0.000 0.300 487 V C 0.927 176.846 176.094 -0.291 0.000 1.034 487 V CA 0.599 62.711 62.300 -0.312 0.000 1.115 487 V CB 1.457 32.960 31.823 -0.533 0.000 0.934 487 V HN 0.512 nan 8.190 nan 0.000 0.485 488 E N 4.770 124.800 120.200 -0.284 0.000 2.331 488 E HA 0.484 4.852 4.350 0.030 0.000 0.272 488 E C -0.949 175.490 176.600 -0.269 0.000 1.036 488 E CA -0.423 55.841 56.400 -0.227 0.000 0.864 488 E CB 0.807 30.419 29.700 -0.148 0.000 1.035 488 E HN 0.592 nan 8.360 nan 0.000 0.408 489 I N 3.925 124.339 120.570 -0.260 0.000 2.533 489 I HA 0.271 4.459 4.170 0.030 0.000 0.290 489 I C -0.606 175.269 176.117 -0.404 0.000 1.056 489 I CA -0.799 60.326 61.300 -0.292 0.000 1.057 489 I CB 1.776 39.555 38.000 -0.368 0.000 1.240 489 I HN 0.522 nan 8.210 nan 0.000 0.423 490 H N 5.473 124.388 119.070 -0.257 0.000 2.495 490 H HA 0.442 5.015 4.556 0.029 0.000 0.348 490 H C -1.281 173.860 175.328 -0.312 0.000 1.113 490 H CA -0.478 55.466 56.048 -0.175 0.000 1.195 490 H CB 2.219 31.947 29.762 -0.056 0.000 1.521 490 H HN 0.270 nan 8.280 nan 0.000 0.509 491 F N 1.457 121.473 119.950 0.110 0.000 2.421 491 F HA 0.274 4.820 4.527 0.032 0.000 0.337 491 F C 0.987 176.794 175.800 0.013 0.000 1.105 491 F CA -0.492 57.505 58.000 -0.004 0.000 1.049 491 F CB 1.838 40.759 39.000 -0.132 0.000 1.139 491 F HN 0.390 nan 8.300 nan 0.000 0.479 492 T N -1.087 113.580 114.554 0.188 0.000 2.916 492 T HA 0.754 5.123 4.350 0.030 0.000 0.292 492 T C -0.569 174.191 174.700 0.101 0.000 1.055 492 T CA -0.766 61.406 62.100 0.120 0.000 1.009 492 T CB 1.918 70.845 68.868 0.099 0.000 1.118 492 T HN 0.591 nan 8.240 nan 0.000 0.497 493 S N 0.000 115.772 115.700 0.121 0.000 2.498 493 S HA 0.000 4.488 4.470 0.030 0.000 0.327 493 S CA 0.000 58.319 58.200 0.199 0.000 1.107 493 S CB 0.000 63.409 63.200 0.349 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517