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 3eq7_1_A DATA FIRST_RESID 4 DATA SEQUENCE FQYPDVYRDE TAIQDYHGHK VCDPYAWLED PDSEQTKAFV EAQNKITVPF DATA SEQUENCE LEQCPIRGLY KERMTELYDY PKYSCHFKKG KRYFYFYNTG LQNQRVLYVQ DATA SEQUENCE DSLEGEARVF LDPNILSDDG TVALRGYAFS EDGEYFAYGL SASGSDWVTI DATA SEQUENCE KFMKVDGAKE LPDVLERVKF SCMAWTHDGK GMFYNAYPQQ DGKSDGTETS DATA SEQUENCE TNLHQKLYYH VLGTDQSEDI LCAEFPDEPK WMGGAELSDD GRYVLLSIRE DATA SEQUENCE GCDPVNRLWY CDLQQESNGI TGILKWVKLI DNFEGEYDYV TNEGTVFTFK DATA SEQUENCE TNRHSPNYRL INIDFTDPEE SKWKVLVPEH EKDVLEWVAC VRSNFLVLCY DATA SEQUENCE LHDVKNTLQL HDLATGALLK IFPLEVGSVV GYSGQKKDTE IFYQFTSFLS DATA SEQUENCE PGIIYHCDLT KEELEPRVFR EVTVKGIDAS DYQTVQIFYP SKDGTKIPMF DATA SEQUENCE IVHKKGIKLD GSHPAFLYGY GGFNISITPN YSVSRLIFVR HMGGVLAVAN DATA SEQUENCE IRGGGEYGET WHKGGILANK QNCFDDFQCA AEYLIKEGYT SPKRLTINGG DATA SEQUENCE SNGGLLVATC ANQRPDLFGC VIAQVGVMDM LKFHKYTIGH AWTTDYGCSD DATA SEQUENCE SKQHFEWLIK YSPLHNVKLP EADDIQYPSM LLLTADHDDR VVPLHSLKFI DATA SEQUENCE ATLQYIVGRS RKQNNPLLIH VDTKAGHGAG KPTAKVIEEV SDMFAFIARC DATA SEQUENCE LNIDWIP 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.730 175.800 -0.116 0.000 0.967 4 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 4 F CB 0.000 39.032 39.000 0.053 0.000 1.145 5 Q N 1.489 121.230 119.800 -0.099 0.000 2.353 5 Q HA 0.665 5.008 4.340 0.006 0.000 0.268 5 Q C -0.822 175.145 176.000 -0.055 0.000 1.045 5 Q CA -0.998 54.710 55.803 -0.159 0.000 0.811 5 Q CB 1.718 30.411 28.738 -0.074 0.000 1.305 5 Q HN 1.373 nan 8.270 nan 0.000 0.447 6 Y N 3.164 123.457 120.300 -0.013 0.000 2.610 6 Y HA 0.245 4.799 4.550 0.006 0.000 0.332 6 Y C -1.189 174.706 175.900 -0.008 0.000 1.201 6 Y CA -1.391 56.692 58.100 -0.028 0.000 1.465 6 Y CB 0.559 38.999 38.460 -0.033 0.000 1.283 6 Y HN 0.583 nan 8.280 nan 0.000 0.563 7 P HA -0.022 nan 4.420 nan 0.000 0.272 7 P C -0.921 176.460 177.300 0.135 0.000 1.223 7 P CA -0.285 62.870 63.100 0.092 0.000 0.784 7 P CB 0.860 32.572 31.700 0.019 0.000 0.923 8 D N 1.041 121.528 120.400 0.145 0.000 2.343 8 D HA 0.180 4.823 4.640 0.006 0.000 0.255 8 D C -0.282 176.170 176.300 0.254 0.000 1.187 8 D CA 0.182 54.295 54.000 0.189 0.000 0.875 8 D CB 0.938 41.833 40.800 0.159 0.000 1.136 8 D HN 0.001 nan 8.370 nan 0.000 0.469 9 V N 4.224 124.328 119.914 0.317 0.000 2.459 9 V HA 0.079 4.203 4.120 0.006 0.000 0.295 9 V C -0.251 176.138 176.094 0.492 0.000 1.029 9 V CA -0.961 61.615 62.300 0.459 0.000 0.874 9 V CB 1.418 33.486 31.823 0.408 0.000 0.985 9 V HN 0.395 nan 8.190 nan 0.000 0.438 10 Y N 5.774 126.323 120.300 0.414 0.000 2.465 10 Y HA 0.321 4.875 4.550 0.006 0.000 0.331 10 Y C 0.639 176.784 175.900 0.409 0.000 1.102 10 Y CA -0.041 58.203 58.100 0.241 0.000 1.358 10 Y CB 0.330 38.740 38.460 -0.084 0.000 1.213 10 Y HN 0.535 nan 8.280 nan 0.000 0.525 11 R N 4.584 124.810 120.500 -0.455 0.000 2.229 11 R HA 0.104 4.448 4.340 0.006 0.000 0.328 11 R C -0.985 174.852 176.300 -0.772 0.000 1.009 11 R CA -0.619 55.176 56.100 -0.509 0.000 0.864 11 R CB 0.566 30.576 30.300 -0.482 0.000 1.085 11 R HN 0.649 nan 8.270 nan 0.000 0.453 12 D N 3.436 123.582 120.400 -0.422 0.000 2.564 12 D HA 0.014 4.658 4.640 0.006 0.000 0.226 12 D C 0.461 176.657 176.300 -0.174 0.000 1.149 12 D CA -0.096 53.766 54.000 -0.229 0.000 0.994 12 D CB 0.611 41.464 40.800 0.089 0.000 1.029 12 D HN 0.457 nan 8.370 nan 0.000 0.517 13 E N 0.568 120.644 120.200 -0.206 0.000 2.492 13 E HA -0.162 4.191 4.350 0.006 0.000 0.204 13 E C 1.437 177.994 176.600 -0.072 0.000 1.073 13 E CA 0.804 57.121 56.400 -0.138 0.000 0.887 13 E CB -0.286 29.343 29.700 -0.119 0.000 0.813 13 E HN 0.504 nan 8.360 nan 0.000 0.562 14 T N -1.918 112.610 114.554 -0.045 0.000 3.081 14 T HA 0.261 4.614 4.350 0.006 0.000 0.250 14 T C 1.148 175.840 174.700 -0.014 0.000 1.100 14 T CA 0.226 62.315 62.100 -0.019 0.000 1.038 14 T CB 0.149 69.018 68.868 0.002 0.000 0.962 14 T HN 0.093 nan 8.240 nan 0.000 0.516 15 A N 1.734 124.544 122.820 -0.016 0.000 3.026 15 A HA 0.564 4.887 4.320 0.006 0.000 0.272 15 A C -0.168 177.413 177.584 -0.006 0.000 1.782 15 A CA -0.531 51.505 52.037 -0.003 0.000 1.451 15 A CB -1.222 17.784 19.000 0.010 0.000 1.081 15 A HN 0.568 nan 8.150 nan 0.000 0.611 16 I N 0.632 121.194 120.570 -0.014 0.000 2.354 16 I HA 0.337 4.510 4.170 0.006 0.000 0.292 16 I C 0.309 176.400 176.117 -0.043 0.000 0.989 16 I CA 0.158 61.449 61.300 -0.014 0.000 1.188 16 I CB 1.652 39.640 38.000 -0.020 0.000 1.342 16 I HN 0.585 nan 8.210 nan 0.000 0.457 17 Q N 3.504 123.272 119.800 -0.054 0.000 2.387 17 Q HA 0.415 4.759 4.340 0.006 0.000 0.273 17 Q C -1.496 174.348 176.000 -0.260 0.000 1.089 17 Q CA -0.866 54.825 55.803 -0.186 0.000 0.824 17 Q CB 2.264 30.852 28.738 -0.250 0.000 1.367 17 Q HN 0.608 nan 8.270 nan 0.000 0.443 18 D N 1.235 121.413 120.400 -0.370 0.000 2.329 18 D HA 0.245 4.888 4.640 0.006 0.000 0.232 18 D C -1.659 174.313 176.300 -0.546 0.000 1.088 18 D CA -0.177 53.627 54.000 -0.327 0.000 0.835 18 D CB 0.503 41.170 40.800 -0.222 0.000 1.078 18 D HN 0.324 nan 8.370 nan 0.000 0.495 19 Y N 3.778 123.899 120.300 -0.298 0.000 2.434 19 Y HA 0.205 4.758 4.550 0.005 0.000 0.341 19 Y C 0.379 175.953 175.900 -0.543 0.000 0.965 19 Y CA -0.743 57.005 58.100 -0.586 0.000 1.205 19 Y CB 0.634 38.636 38.460 -0.763 0.000 1.121 19 Y HN 0.519 nan 8.280 nan 0.000 0.507 20 H N 2.445 121.416 119.070 -0.165 0.000 2.529 20 H HA -0.283 4.277 4.556 0.006 0.000 0.319 20 H C 1.334 176.634 175.328 -0.047 0.000 1.072 20 H CA 1.113 57.096 56.048 -0.107 0.000 1.126 20 H CB -1.369 28.320 29.762 -0.121 0.000 1.474 20 H HN 1.115 nan 8.280 nan 0.000 0.406 21 G N -0.758 108.017 108.800 -0.040 0.000 2.784 21 G HA2 -0.270 3.693 3.960 0.006 0.000 0.204 21 G HA3 -0.270 3.693 3.960 0.006 0.000 0.204 21 G C -0.001 174.826 174.900 -0.122 0.000 1.300 21 G CA 0.090 45.129 45.100 -0.102 0.000 0.863 21 G HN 0.658 nan 8.290 nan 0.000 0.541 22 H N 1.666 120.667 119.070 -0.115 0.000 3.001 22 H HA 0.562 5.121 4.556 0.006 0.000 0.334 22 H C 0.431 175.737 175.328 -0.036 0.000 1.034 22 H CA 0.805 56.816 56.048 -0.062 0.000 1.420 22 H CB 0.630 30.355 29.762 -0.061 0.000 1.405 22 H HN 0.387 nan 8.280 nan 0.000 0.593 23 K N 1.981 122.444 120.400 0.105 0.000 2.265 23 K HA 0.432 4.755 4.320 0.006 0.000 0.267 23 K C -1.094 175.580 176.600 0.124 0.000 0.994 23 K CA -0.757 55.573 56.287 0.071 0.000 0.860 23 K CB 1.306 33.818 32.500 0.020 0.000 1.099 23 K HN 0.455 nan 8.250 nan 0.000 0.448 24 V N 2.427 122.436 119.914 0.159 0.000 2.656 24 V HA 0.520 4.644 4.120 0.006 0.000 0.307 24 V C -0.899 175.265 176.094 0.117 0.000 1.051 24 V CA -0.774 61.614 62.300 0.147 0.000 0.893 24 V CB 1.555 33.462 31.823 0.140 0.000 0.999 24 V HN 0.861 nan 8.190 nan 0.000 0.426 25 C N 4.481 123.831 119.300 0.084 0.000 2.388 25 C HA 0.674 5.138 4.460 0.006 0.000 0.362 25 C C -0.042 174.985 174.990 0.061 0.000 1.266 25 C CA 0.149 59.194 59.018 0.045 0.000 2.028 25 C CB 0.587 28.327 27.740 -0.001 0.000 2.440 25 C HN 1.046 nan 8.230 nan 0.000 0.547 26 D N 3.850 124.263 120.400 0.021 0.000 2.513 26 D HA 0.293 4.936 4.640 0.006 0.000 0.295 26 D C -1.412 174.815 176.300 -0.122 0.000 1.202 26 D CA -1.172 52.834 54.000 0.009 0.000 0.849 26 D CB 0.777 41.632 40.800 0.092 0.000 1.116 26 D HN 0.343 nan 8.370 nan 0.000 0.502 27 P HA -0.124 nan 4.420 nan 0.000 0.229 27 P C 0.185 177.169 177.300 -0.527 0.000 1.150 27 P CA 0.813 63.614 63.100 -0.499 0.000 0.765 27 P CB -0.080 31.153 31.700 -0.778 0.000 0.783 28 Y N -1.703 118.503 120.300 -0.157 0.000 2.716 28 Y HA 0.512 5.065 4.550 0.006 0.000 0.260 28 Y C 2.074 177.650 175.900 -0.540 0.000 1.141 28 Y CA -0.458 57.329 58.100 -0.522 0.000 1.168 28 Y CB -0.121 38.010 38.460 -0.548 0.000 1.189 28 Y HN -0.119 nan 8.280 nan 0.000 0.549 29 A N 1.029 123.778 122.820 -0.118 0.000 2.172 29 A HA -0.127 4.196 4.320 0.006 0.000 0.216 29 A C 1.629 179.210 177.584 -0.006 0.000 1.154 29 A CA 0.891 52.901 52.037 -0.045 0.000 0.701 29 A CB -0.828 18.198 19.000 0.044 0.000 0.789 29 A HN 0.855 nan 8.150 nan 0.000 0.465 30 W N -1.371 119.933 121.300 0.007 0.000 3.047 30 W HA 0.190 4.853 4.660 0.005 0.000 0.250 30 W C 0.559 177.052 176.519 -0.043 0.000 1.314 30 W CA -0.057 57.289 57.345 0.002 0.000 1.540 30 W CB -0.705 28.782 29.460 0.046 0.000 1.127 30 W HN 0.186 nan 8.180 nan 0.000 0.679 31 L N 1.280 122.170 121.223 -0.555 0.000 2.599 31 L HA 0.024 4.367 4.340 0.006 0.000 0.230 31 L C 1.647 178.318 176.870 -0.332 0.000 1.141 31 L CA 0.762 55.210 54.840 -0.654 0.000 0.877 31 L CB -0.207 41.253 42.059 -0.998 0.000 1.009 31 L HN -0.017 nan 8.230 nan 0.000 0.447 32 E N -0.837 119.238 120.200 -0.208 0.000 2.489 32 E HA -0.058 4.295 4.350 0.006 0.000 0.193 32 E C 0.034 176.563 176.600 -0.118 0.000 1.057 32 E CA -0.025 56.256 56.400 -0.199 0.000 0.866 32 E CB 0.210 29.819 29.700 -0.151 0.000 0.916 32 E HN 0.170 nan 8.360 nan 0.000 0.500 33 D N 1.150 121.528 120.400 -0.036 0.000 2.443 33 D HA 0.068 4.711 4.640 0.006 0.000 0.221 33 D C -1.555 174.745 176.300 0.000 0.000 1.097 33 D CA -2.648 51.355 54.000 0.005 0.000 0.865 33 D CB 1.332 42.171 40.800 0.066 0.000 1.034 33 D HN -0.142 nan 8.370 nan 0.000 0.511 34 P HA -0.077 nan 4.420 nan 0.000 0.217 34 P C 0.288 177.592 177.300 0.007 0.000 1.150 34 P CA 0.934 64.019 63.100 -0.024 0.000 0.832 34 P CB 0.493 32.163 31.700 -0.049 0.000 0.787 35 D N -0.113 120.293 120.400 0.011 0.000 2.328 35 D HA 0.013 4.656 4.640 0.006 0.000 0.226 35 D C 0.899 177.219 176.300 0.034 0.000 1.066 35 D CA 0.302 54.313 54.000 0.019 0.000 0.861 35 D CB 0.088 40.894 40.800 0.010 0.000 0.912 35 D HN 0.272 nan 8.370 nan 0.000 0.521 36 S N 0.490 116.222 115.700 0.053 0.000 2.603 36 S HA 0.085 4.558 4.470 0.006 0.000 0.268 36 S C 1.233 175.876 174.600 0.071 0.000 1.317 36 S CA -0.498 57.740 58.200 0.062 0.000 1.012 36 S CB 2.192 65.449 63.200 0.096 0.000 0.926 36 S HN -0.170 nan 8.310 nan 0.000 0.539 37 E N 1.541 121.769 120.200 0.048 0.000 2.152 37 E HA -0.108 4.245 4.350 0.006 0.000 0.192 37 E C 2.047 178.694 176.600 0.080 0.000 0.983 37 E CA 1.218 57.646 56.400 0.047 0.000 0.818 37 E CB -0.467 29.241 29.700 0.014 0.000 0.758 37 E HN 0.785 nan 8.360 nan 0.000 0.467 38 Q N -0.039 119.809 119.800 0.080 0.000 2.046 38 Q HA -0.066 4.278 4.340 0.006 0.000 0.200 38 Q C 2.258 178.490 176.000 0.388 0.000 0.975 38 Q CA 1.851 57.731 55.803 0.129 0.000 0.836 38 Q CB -0.678 27.997 28.738 -0.104 0.000 0.896 38 Q HN 0.156 nan 8.270 nan 0.000 0.428 39 T N 1.252 116.042 114.554 0.393 0.000 2.684 39 T HA -0.137 4.216 4.350 0.006 0.000 0.267 39 T C 1.483 176.344 174.700 0.268 0.000 1.036 39 T CA 1.371 63.663 62.100 0.320 0.000 1.148 39 T CB -0.154 68.808 68.868 0.158 0.000 0.863 39 T HN 0.240 nan 8.240 nan 0.000 0.436 40 K N 1.269 121.778 120.400 0.182 0.000 2.280 40 K HA 0.072 4.396 4.320 0.006 0.000 0.202 40 K C 2.507 179.194 176.600 0.145 0.000 1.047 40 K CA 1.060 57.429 56.287 0.137 0.000 0.942 40 K CB -0.212 32.341 32.500 0.088 0.000 0.739 40 K HN 0.329 nan 8.250 nan 0.000 0.457 41 A N 1.139 124.066 122.820 0.178 0.000 1.930 41 A HA -0.083 4.240 4.320 0.006 0.000 0.215 41 A C 1.942 179.634 177.584 0.181 0.000 1.176 41 A CA 0.514 52.641 52.037 0.149 0.000 0.632 41 A CB -0.501 18.582 19.000 0.138 0.000 0.819 41 A HN 0.329 nan 8.150 nan 0.000 0.445 42 F N 0.844 120.871 119.950 0.129 0.000 2.102 42 F HA -0.161 4.370 4.527 0.006 0.000 0.298 42 F C 2.118 177.940 175.800 0.037 0.000 1.105 42 F CA 2.093 60.159 58.000 0.110 0.000 1.239 42 F CB -0.296 38.784 39.000 0.135 0.000 0.991 42 F HN 0.026 nan 8.300 nan 0.000 0.474 43 V N 0.962 121.010 119.914 0.223 0.000 2.255 43 V HA -0.304 3.820 4.120 0.006 0.000 0.247 43 V C 2.855 178.917 176.094 -0.054 0.000 1.051 43 V CA 2.641 64.978 62.300 0.060 0.000 1.018 43 V CB -1.757 30.137 31.823 0.117 0.000 0.641 43 V HN 0.562 nan 8.190 nan 0.000 0.445 44 E N 0.085 120.284 120.200 -0.002 0.000 2.085 44 E HA -0.258 4.095 4.350 0.006 0.000 0.194 44 E C 2.223 178.798 176.600 -0.042 0.000 0.994 44 E CA 1.990 58.383 56.400 -0.010 0.000 0.801 44 E CB -1.016 28.694 29.700 0.018 0.000 0.743 44 E HN 0.724 nan 8.360 nan 0.000 0.453 45 A N 0.213 122.992 122.820 -0.067 0.000 1.940 45 A HA -0.241 4.082 4.320 0.006 0.000 0.219 45 A C 2.318 179.816 177.584 -0.143 0.000 1.176 45 A CA 1.803 53.787 52.037 -0.088 0.000 0.631 45 A CB -0.200 18.750 19.000 -0.085 0.000 0.814 45 A HN 0.496 nan 8.150 nan 0.000 0.446 46 Q N -0.481 119.162 119.800 -0.262 0.000 2.062 46 Q HA -0.077 4.266 4.340 0.006 0.000 0.196 46 Q C 1.519 177.453 176.000 -0.110 0.000 0.967 46 Q CA 1.118 56.766 55.803 -0.259 0.000 0.832 46 Q CB -0.459 28.013 28.738 -0.443 0.000 0.899 46 Q HN 0.603 nan 8.270 nan 0.000 0.442 47 N N 1.239 119.892 118.700 -0.079 0.000 2.443 47 N HA -0.108 4.635 4.740 0.006 0.000 0.184 47 N C 1.383 176.915 175.510 0.036 0.000 1.037 47 N CA 0.738 53.794 53.050 0.010 0.000 0.896 47 N CB -0.045 38.437 38.487 -0.008 0.000 0.959 47 N HN 0.207 nan 8.380 nan 0.000 0.442 48 K N 0.649 121.052 120.400 0.005 0.000 2.439 48 K HA 0.037 4.360 4.320 0.006 0.000 0.197 48 K C 1.665 178.290 176.600 0.042 0.000 1.041 48 K CA 0.464 56.765 56.287 0.023 0.000 0.970 48 K CB 0.224 32.729 32.500 0.008 0.000 0.773 48 K HN 0.314 nan 8.250 nan 0.000 0.479 49 I N -3.539 117.057 120.570 0.044 0.000 4.312 49 I HA 0.058 4.231 4.170 0.006 0.000 0.324 49 I C 1.262 177.450 176.117 0.118 0.000 1.298 49 I CA 0.164 61.511 61.300 0.079 0.000 1.231 49 I CB 0.417 38.461 38.000 0.074 0.000 1.152 49 I HN -0.182 nan 8.210 nan 0.000 0.421 50 T N 1.373 115.977 114.554 0.084 0.000 2.852 50 T HA 0.012 4.365 4.350 0.006 0.000 0.256 50 T C 2.004 176.794 174.700 0.151 0.000 1.038 50 T CA 1.647 63.803 62.100 0.094 0.000 1.141 50 T CB -0.000 68.897 68.868 0.049 0.000 0.869 50 T HN 0.162 nan 8.240 nan 0.000 0.439 51 V N 3.375 123.366 119.914 0.128 0.000 2.231 51 V HA -0.182 3.941 4.120 0.006 0.000 0.250 51 V C -0.345 175.812 176.094 0.106 0.000 1.058 51 V CA 2.158 64.519 62.300 0.102 0.000 1.022 51 V CB -1.640 30.245 31.823 0.104 0.000 0.640 51 V HN 0.412 nan 8.190 nan 0.000 0.445 52 P HA -0.251 nan 4.420 nan 0.000 0.213 52 P C 1.767 179.139 177.300 0.119 0.000 1.170 52 P CA 1.859 65.013 63.100 0.091 0.000 0.902 52 P CB -0.307 31.443 31.700 0.084 0.000 0.789 53 F N 0.612 120.583 119.950 0.035 0.000 2.048 53 F HA -0.277 4.254 4.527 0.006 0.000 0.296 53 F C 2.384 178.215 175.800 0.052 0.000 1.109 53 F CA 1.767 59.797 58.000 0.051 0.000 1.214 53 F CB -1.055 37.995 39.000 0.083 0.000 0.963 53 F HN -0.274 nan 8.300 nan 0.000 0.491 54 L N -0.081 121.373 121.223 0.384 0.000 2.079 54 L HA -0.235 4.108 4.340 0.006 0.000 0.210 54 L C 2.318 179.229 176.870 0.070 0.000 1.081 54 L CA 1.744 56.727 54.840 0.239 0.000 0.752 54 L CB -0.718 41.416 42.059 0.126 0.000 0.896 54 L HN 0.271 nan 8.230 nan 0.000 0.433 55 E N -0.464 119.759 120.200 0.038 0.000 2.274 55 E HA -0.193 4.161 4.350 0.006 0.000 0.194 55 E C 2.382 178.961 176.600 -0.036 0.000 0.996 55 E CA 1.005 57.405 56.400 -0.000 0.000 0.840 55 E CB -0.090 29.615 29.700 0.008 0.000 0.772 55 E HN 0.655 nan 8.360 nan 0.000 0.491 56 Q N 0.701 120.457 119.800 -0.073 0.000 2.436 56 Q HA -0.035 4.308 4.340 0.006 0.000 0.209 56 Q C 1.372 177.301 176.000 -0.119 0.000 0.965 56 Q CA 0.958 56.695 55.803 -0.110 0.000 0.910 56 Q CB -0.942 27.695 28.738 -0.169 0.000 0.980 56 Q HN 0.277 nan 8.270 nan 0.000 0.491 57 C N 1.746 120.981 119.300 -0.109 0.000 2.373 57 C HA 0.408 4.872 4.460 0.006 0.000 0.354 57 C C -0.888 174.066 174.990 -0.061 0.000 1.249 57 C CA -1.359 57.609 59.018 -0.083 0.000 1.784 57 C CB 1.072 28.781 27.740 -0.052 0.000 2.408 57 C HN 0.515 nan 8.230 nan 0.000 0.542 58 P HA -0.117 nan 4.420 nan 0.000 0.220 58 P C 1.566 178.788 177.300 -0.129 0.000 1.148 58 P CA 1.523 64.573 63.100 -0.084 0.000 0.803 58 P CB 0.062 31.719 31.700 -0.072 0.000 0.782 59 I N -0.266 120.239 120.570 -0.109 0.000 2.361 59 I HA -0.181 3.993 4.170 0.006 0.000 0.251 59 I C 2.847 178.883 176.117 -0.135 0.000 1.133 59 I CA 0.895 62.091 61.300 -0.172 0.000 1.413 59 I CB -0.410 37.593 38.000 0.005 0.000 1.073 59 I HN -0.089 nan 8.210 nan 0.000 0.424 60 R N 0.987 121.457 120.500 -0.050 0.000 2.170 60 R HA -0.182 4.162 4.340 0.006 0.000 0.242 60 R C 2.052 178.336 176.300 -0.026 0.000 1.145 60 R CA 1.633 57.726 56.100 -0.012 0.000 0.984 60 R CB -0.287 30.009 30.300 -0.007 0.000 0.869 60 R HN 0.451 nan 8.270 nan 0.000 0.455 61 G N -0.199 108.544 108.800 -0.095 0.000 2.545 61 G HA2 -0.082 3.881 3.960 0.006 0.000 0.212 61 G HA3 -0.082 3.881 3.960 0.006 0.000 0.212 61 G C 1.412 176.202 174.900 -0.184 0.000 1.144 61 G CA -0.227 44.811 45.100 -0.103 0.000 0.813 61 G HN 0.179 nan 8.290 nan 0.000 0.531 62 L N -0.808 120.197 121.223 -0.365 0.000 2.056 62 L HA 0.014 4.358 4.340 0.006 0.000 0.207 62 L C 2.478 179.006 176.870 -0.570 0.000 1.078 62 L CA 1.021 55.468 54.840 -0.654 0.000 0.749 62 L CB -0.332 40.887 42.059 -1.400 0.000 0.901 62 L HN 0.308 nan 8.230 nan 0.000 0.433 63 Y N 0.922 120.917 120.300 -0.508 0.000 2.114 63 Y HA -0.359 4.195 4.550 0.006 0.000 0.284 63 Y C 2.751 178.600 175.900 -0.086 0.000 1.143 63 Y CA 2.151 60.138 58.100 -0.187 0.000 1.135 63 Y CB -0.028 38.408 38.460 -0.041 0.000 0.980 63 Y HN 0.017 nan 8.280 nan 0.000 0.499 64 K N 0.407 120.912 120.400 0.175 0.000 2.113 64 K HA -0.276 4.048 4.320 0.006 0.000 0.208 64 K C 2.084 178.688 176.600 0.007 0.000 1.047 64 K CA 2.095 58.451 56.287 0.114 0.000 0.928 64 K CB -0.287 32.257 32.500 0.074 0.000 0.716 64 K HN 0.511 nan 8.250 nan 0.000 0.446 65 E N -0.270 119.902 120.200 -0.047 0.000 2.072 65 E HA -0.173 4.181 4.350 0.006 0.000 0.190 65 E C 2.036 178.610 176.600 -0.043 0.000 0.982 65 E CA 0.725 57.098 56.400 -0.045 0.000 0.803 65 E CB 0.059 29.719 29.700 -0.067 0.000 0.755 65 E HN 0.130 nan 8.360 nan 0.000 0.453 66 R N 0.046 120.493 120.500 -0.089 0.000 2.148 66 R HA -0.063 4.280 4.340 0.006 0.000 0.223 66 R C 2.001 178.252 176.300 -0.082 0.000 1.088 66 R CA 0.991 57.044 56.100 -0.078 0.000 0.985 66 R CB -0.205 30.026 30.300 -0.116 0.000 0.880 66 R HN 0.194 nan 8.270 nan 0.000 0.451 67 M N -0.653 118.870 119.600 -0.129 0.000 2.098 67 M HA -0.049 4.435 4.480 0.006 0.000 0.262 67 M C 1.701 178.034 176.300 0.055 0.000 1.072 67 M CA 2.016 57.272 55.300 -0.075 0.000 1.133 67 M CB -0.649 31.919 32.600 -0.054 0.000 1.344 67 M HN 0.098 nan 8.290 nan 0.000 0.414 68 T N 0.384 114.966 114.554 0.046 0.000 2.624 68 T HA -0.240 4.113 4.350 0.006 0.000 0.268 68 T C 1.696 176.455 174.700 0.098 0.000 1.041 68 T CA 2.052 64.198 62.100 0.077 0.000 1.159 68 T CB -0.396 68.499 68.868 0.045 0.000 0.863 68 T HN 0.541 nan 8.240 nan 0.000 0.434 69 E N 0.443 120.686 120.200 0.072 0.000 2.005 69 E HA -0.093 4.261 4.350 0.006 0.000 0.198 69 E C 2.272 178.947 176.600 0.124 0.000 1.010 69 E CA 1.075 57.524 56.400 0.081 0.000 0.825 69 E CB -0.246 29.491 29.700 0.062 0.000 0.769 69 E HN 0.357 nan 8.360 nan 0.000 0.456 70 L N -0.168 121.137 121.223 0.137 0.000 2.079 70 L HA -0.213 4.130 4.340 0.006 0.000 0.210 70 L C 2.400 179.472 176.870 0.336 0.000 1.081 70 L CA 1.135 56.093 54.840 0.197 0.000 0.752 70 L CB -0.428 41.723 42.059 0.153 0.000 0.896 70 L HN 0.344 nan 8.230 nan 0.000 0.433 71 Y N 0.443 120.833 120.300 0.150 0.000 2.529 71 Y HA -0.084 4.470 4.550 0.006 0.000 0.290 71 Y C 1.100 176.981 175.900 -0.031 0.000 1.177 71 Y CA 0.123 58.291 58.100 0.113 0.000 1.305 71 Y CB -0.118 38.358 38.460 0.026 0.000 1.047 71 Y HN 0.120 nan 8.280 nan 0.000 0.522 72 D N 0.935 121.381 120.400 0.077 0.000 2.845 72 D HA 0.045 4.688 4.640 0.006 0.000 0.235 72 D C -1.126 175.176 176.300 0.005 0.000 1.158 72 D CA -0.012 53.978 54.000 -0.017 0.000 0.990 72 D CB -1.150 39.677 40.800 0.046 0.000 1.094 72 D HN 0.330 nan 8.370 nan 0.000 0.486 73 Y N -1.723 118.494 120.300 -0.138 0.000 2.545 73 Y HA 0.712 5.266 4.550 0.006 0.000 0.348 73 Y C -2.908 172.896 175.900 -0.159 0.000 1.002 73 Y CA -3.639 54.395 58.100 -0.110 0.000 1.039 73 Y CB 0.540 38.953 38.460 -0.078 0.000 1.271 73 Y HN -0.153 nan 8.280 nan 0.000 0.467 74 P HA 0.090 nan 4.420 nan 0.000 0.259 74 P C -1.214 176.054 177.300 -0.054 0.000 1.211 74 P CA 0.209 63.272 63.100 -0.062 0.000 0.810 74 P CB 0.209 31.952 31.700 0.073 0.000 0.815 75 K N 3.535 123.784 120.400 -0.251 0.000 2.234 75 K HA 0.390 4.714 4.320 0.006 0.000 0.277 75 K C -0.555 176.050 176.600 0.009 0.000 1.038 75 K CA -0.279 55.956 56.287 -0.087 0.000 0.888 75 K CB 0.734 33.116 32.500 -0.198 0.000 1.091 75 K HN 0.387 nan 8.250 nan 0.000 0.467 76 Y N 0.269 120.706 120.300 0.227 0.000 2.485 76 Y HA 0.304 4.857 4.550 0.006 0.000 0.345 76 Y C 0.476 176.517 175.900 0.235 0.000 0.998 76 Y CA -0.763 57.494 58.100 0.263 0.000 1.059 76 Y CB 2.246 40.799 38.460 0.156 0.000 1.234 76 Y HN 0.607 nan 8.280 nan 0.000 0.461 77 S N 0.946 116.951 115.700 0.509 0.000 2.681 77 S HA 0.483 4.957 4.470 0.006 0.000 0.299 77 S C -0.538 174.250 174.600 0.314 0.000 1.113 77 S CA -0.733 57.715 58.200 0.413 0.000 1.013 77 S CB 0.986 64.517 63.200 0.552 0.000 1.076 77 S HN 0.744 nan 8.310 nan 0.000 0.534 78 C N 2.509 121.967 119.300 0.263 0.000 2.662 78 C HA 0.321 4.784 4.460 0.006 0.000 0.420 78 C C 0.708 175.747 174.990 0.082 0.000 1.314 78 C CA 0.079 59.163 59.018 0.109 0.000 1.963 78 C CB -1.475 26.363 27.740 0.162 0.000 2.686 78 C HN 0.937 nan 8.230 nan 0.000 0.609 79 H N 1.765 120.492 119.070 -0.571 0.000 2.790 79 H HA 0.453 5.012 4.556 0.006 0.000 0.358 79 H C -0.236 174.997 175.328 -0.159 0.000 1.103 79 H CA 0.951 56.696 56.048 -0.504 0.000 1.426 79 H CB 0.311 29.384 29.762 -1.149 0.000 1.424 79 H HN 0.563 nan 8.280 nan 0.000 0.599 80 F N -0.090 119.919 119.950 0.099 0.000 2.605 80 F HA 0.351 4.882 4.527 0.006 0.000 0.320 80 F C -1.043 174.829 175.800 0.120 0.000 1.159 80 F CA -1.280 56.797 58.000 0.128 0.000 0.999 80 F CB 0.894 39.956 39.000 0.103 0.000 1.258 80 F HN 0.304 nan 8.300 nan 0.000 0.464 81 K N 3.939 124.407 120.400 0.114 0.000 2.258 81 K HA 0.413 4.737 4.320 0.006 0.000 0.284 81 K C -1.072 175.471 176.600 -0.094 0.000 1.051 81 K CA -0.544 55.616 56.287 -0.212 0.000 0.923 81 K CB 0.794 33.002 32.500 -0.487 0.000 1.046 81 K HN 0.606 nan 8.250 nan 0.000 0.474 82 K N 3.196 123.495 120.400 -0.167 0.000 2.450 82 K HA 0.311 4.634 4.320 0.006 0.000 0.257 82 K C 0.218 176.715 176.600 -0.172 0.000 0.953 82 K CA 0.183 56.349 56.287 -0.202 0.000 0.844 82 K CB 1.327 33.456 32.500 -0.619 0.000 1.103 82 K HN 0.979 nan 8.250 nan 0.000 0.429 83 G N 4.131 112.861 108.800 -0.117 0.000 2.565 83 G HA2 -0.385 3.578 3.960 0.006 0.000 0.295 83 G HA3 -0.385 3.578 3.960 0.006 0.000 0.295 83 G C 0.336 175.154 174.900 -0.136 0.000 1.165 83 G CA 0.652 45.695 45.100 -0.095 0.000 0.977 83 G HN 0.626 nan 8.290 nan 0.000 0.546 84 K N 1.000 121.317 120.400 -0.139 0.000 2.373 84 K HA 0.349 4.673 4.320 0.006 0.000 0.202 84 K C 0.790 177.251 176.600 -0.232 0.000 1.025 84 K CA -0.069 56.123 56.287 -0.158 0.000 1.115 84 K CB 0.583 33.025 32.500 -0.097 0.000 0.858 84 K HN 0.633 nan 8.250 nan 0.000 0.525 85 R N 0.378 120.692 120.500 -0.310 0.000 2.854 85 R HA 0.380 4.723 4.340 0.006 0.000 0.271 85 R C -1.136 174.790 176.300 -0.624 0.000 0.996 85 R CA -0.865 54.969 56.100 -0.444 0.000 0.961 85 R CB 0.783 30.748 30.300 -0.558 0.000 1.182 85 R HN -0.077 nan 8.270 nan 0.000 0.479 86 Y N 0.135 120.104 120.300 -0.552 0.000 2.453 86 Y HA 0.492 5.045 4.550 0.006 0.000 0.326 86 Y C -0.296 175.015 175.900 -0.982 0.000 1.186 86 Y CA -0.195 57.616 58.100 -0.483 0.000 1.200 86 Y CB 1.394 39.752 38.460 -0.170 0.000 1.247 86 Y HN 0.368 nan 8.280 nan 0.000 0.482 87 F N 0.750 120.329 119.950 -0.618 0.000 2.626 87 F HA 0.532 5.062 4.527 0.006 0.000 0.311 87 F C -1.294 173.954 175.800 -0.921 0.000 1.088 87 F CA -1.139 56.250 58.000 -1.017 0.000 0.949 87 F CB 2.110 40.122 39.000 -1.645 0.000 1.322 87 F HN 0.395 nan 8.300 nan 0.000 0.461 88 Y N -0.564 119.442 120.300 -0.490 0.000 2.583 88 Y HA 0.632 5.186 4.550 0.006 0.000 0.330 88 Y C -2.229 173.654 175.900 -0.028 0.000 1.185 88 Y CA -2.196 55.772 58.100 -0.220 0.000 1.107 88 Y CB 0.352 38.511 38.460 -0.501 0.000 1.344 88 Y HN 0.413 nan 8.280 nan 0.000 0.463 89 F N 3.175 123.369 119.950 0.406 0.000 2.379 89 F HA 0.618 5.148 4.527 0.006 0.000 0.332 89 F C -0.548 175.568 175.800 0.527 0.000 1.096 89 F CA -0.375 57.841 58.000 0.359 0.000 1.105 89 F CB 1.411 40.587 39.000 0.293 0.000 1.189 89 F HN 0.621 nan 8.300 nan 0.000 0.515 90 Y N 3.023 123.595 120.300 0.454 0.000 2.442 90 Y HA 0.385 4.938 4.550 0.006 0.000 0.330 90 Y C -1.767 174.199 175.900 0.111 0.000 1.100 90 Y CA -1.493 56.746 58.100 0.231 0.000 1.034 90 Y CB 1.272 39.863 38.460 0.218 0.000 1.285 90 Y HN 0.565 nan 8.280 nan 0.000 0.440 91 N N 2.820 121.185 118.700 -0.557 0.000 2.407 91 N HA 0.185 4.928 4.740 0.006 0.000 0.277 91 N C 0.436 175.375 175.510 -0.951 0.000 0.995 91 N CA 0.230 52.931 53.050 -0.582 0.000 0.903 91 N CB 1.889 40.197 38.487 -0.299 0.000 1.218 91 N HN 0.819 nan 8.380 nan 0.000 0.487 92 T N 0.075 114.098 114.554 -0.884 0.000 3.155 92 T HA 0.184 4.538 4.350 0.006 0.000 0.264 92 T C 1.116 175.625 174.700 -0.318 0.000 1.160 92 T CA 1.150 62.885 62.100 -0.608 0.000 1.075 92 T CB 0.019 68.710 68.868 -0.296 0.000 0.921 92 T HN 0.634 nan 8.240 nan 0.000 0.533 93 G N 1.046 109.646 108.800 -0.334 0.000 4.241 93 G HA2 -0.026 3.937 3.960 0.006 0.000 0.193 93 G HA3 -0.026 3.937 3.960 0.006 0.000 0.193 93 G C 0.388 175.147 174.900 -0.235 0.000 1.789 93 G CA -0.126 44.806 45.100 -0.279 0.000 1.025 93 G HN 0.435 nan 8.290 nan 0.000 0.346 94 L N 1.681 122.834 121.223 -0.117 0.000 3.267 94 L HA 0.394 4.738 4.340 0.006 0.000 0.289 94 L C 0.564 177.425 176.870 -0.016 0.000 1.260 94 L CA -0.149 54.677 54.840 -0.022 0.000 1.034 94 L CB 0.992 43.062 42.059 0.019 0.000 1.413 94 L HN 0.246 nan 8.230 nan 0.000 0.594 95 Q N 0.309 120.072 119.800 -0.061 0.000 2.337 95 Q HA 0.042 4.386 4.340 0.006 0.000 0.270 95 Q C 0.646 176.641 176.000 -0.009 0.000 1.002 95 Q CA -0.282 55.497 55.803 -0.040 0.000 0.888 95 Q CB 1.043 29.740 28.738 -0.069 0.000 1.222 95 Q HN 0.155 nan 8.270 nan 0.000 0.400 96 N N 1.048 119.751 118.700 0.005 0.000 2.021 96 N HA -0.165 4.578 4.740 0.006 0.000 0.198 96 N C -0.148 175.376 175.510 0.023 0.000 1.041 96 N CA 1.498 54.559 53.050 0.018 0.000 0.862 96 N CB 0.258 38.754 38.487 0.014 0.000 1.048 96 N HN 0.504 nan 8.380 nan 0.000 0.427 97 Q N 0.456 120.268 119.800 0.020 0.000 2.394 97 Q HA 0.303 4.647 4.340 0.006 0.000 0.273 97 Q C -0.435 175.591 176.000 0.044 0.000 1.089 97 Q CA -0.571 55.251 55.803 0.032 0.000 0.812 97 Q CB 2.349 31.110 28.738 0.039 0.000 1.353 97 Q HN 0.294 nan 8.270 nan 0.000 0.438 98 R N 0.075 120.614 120.500 0.065 0.000 2.734 98 R HA 0.349 4.692 4.340 0.006 0.000 0.266 98 R C 0.005 176.454 176.300 0.247 0.000 1.044 98 R CA -0.298 55.885 56.100 0.137 0.000 1.128 98 R CB 0.017 30.415 30.300 0.163 0.000 1.010 98 R HN 0.202 nan 8.270 nan 0.000 0.461 99 V N 2.441 122.528 119.914 0.288 0.000 2.732 99 V HA 0.249 4.372 4.120 0.006 0.000 0.310 99 V C -0.459 175.757 176.094 0.203 0.000 1.053 99 V CA -1.043 61.377 62.300 0.201 0.000 0.957 99 V CB 1.798 33.669 31.823 0.081 0.000 1.018 99 V HN 0.480 nan 8.190 nan 0.000 0.452 100 L N 4.100 125.250 121.223 -0.123 0.000 2.276 100 L HA 0.557 4.900 4.340 0.006 0.000 0.286 100 L C -1.069 175.599 176.870 -0.337 0.000 1.024 100 L CA 0.057 54.633 54.840 -0.440 0.000 0.826 100 L CB 0.431 42.165 42.059 -0.541 0.000 1.211 100 L HN 0.505 nan 8.230 nan 0.000 0.422 101 Y N 3.494 123.482 120.300 -0.520 0.000 2.453 101 Y HA 0.716 5.269 4.550 0.006 0.000 0.326 101 Y C 0.010 175.530 175.900 -0.633 0.000 1.186 101 Y CA -0.408 57.368 58.100 -0.540 0.000 1.200 101 Y CB 1.997 39.985 38.460 -0.785 0.000 1.247 101 Y HN 0.422 nan 8.280 nan 0.000 0.482 102 V N 2.795 122.485 119.914 -0.373 0.000 3.007 102 V HA 0.635 4.759 4.120 0.006 0.000 0.311 102 V C -1.768 174.065 176.094 -0.436 0.000 1.120 102 V CA -0.468 61.404 62.300 -0.713 0.000 0.980 102 V CB 2.044 33.367 31.823 -0.833 0.000 1.033 102 V HN 0.895 nan 8.190 nan 0.000 0.429 103 Q N 2.847 122.369 119.800 -0.463 0.000 2.377 103 Q HA 0.489 4.833 4.340 0.006 0.000 0.279 103 Q C -1.209 174.675 176.000 -0.193 0.000 1.049 103 Q CA -0.835 54.844 55.803 -0.206 0.000 0.825 103 Q CB 2.179 30.889 28.738 -0.047 0.000 1.401 103 Q HN 0.623 nan 8.270 nan 0.000 0.404 104 D N 0.995 121.324 120.400 -0.119 0.000 2.347 104 D HA 0.013 4.656 4.640 0.006 0.000 0.215 104 D C 0.113 176.418 176.300 0.008 0.000 0.976 104 D CA 1.064 55.010 54.000 -0.090 0.000 0.884 104 D CB 0.652 41.407 40.800 -0.074 0.000 0.915 104 D HN 0.513 nan 8.370 nan 0.000 0.526 105 S N -0.362 115.375 115.700 0.061 0.000 2.548 105 S HA 0.119 4.592 4.470 0.006 0.000 0.278 105 S C 0.286 174.896 174.600 0.016 0.000 1.150 105 S CA -0.693 57.576 58.200 0.115 0.000 0.907 105 S CB 1.028 64.251 63.200 0.038 0.000 1.108 105 S HN -0.169 nan 8.310 nan 0.000 0.459 106 L N 3.384 124.522 121.223 -0.143 0.000 2.369 106 L HA 0.003 4.346 4.340 0.006 0.000 0.220 106 L C 2.449 179.197 176.870 -0.203 0.000 1.119 106 L CA 2.935 57.530 54.840 -0.409 0.000 0.780 106 L CB -0.915 40.802 42.059 -0.570 0.000 0.906 106 L HN 1.010 nan 8.230 nan 0.000 0.442 107 E N -1.356 118.774 120.200 -0.118 0.000 2.490 107 E HA 0.429 4.783 4.350 0.006 0.000 0.209 107 E C 1.194 177.752 176.600 -0.069 0.000 0.971 107 E CA 0.424 56.764 56.400 -0.100 0.000 0.988 107 E CB -0.410 29.240 29.700 -0.084 0.000 1.029 107 E HN 0.454 nan 8.360 nan 0.000 0.496 108 G N -0.137 108.635 108.800 -0.047 0.000 2.562 108 G HA2 0.469 4.433 3.960 0.006 0.000 0.275 108 G HA3 0.469 4.433 3.960 0.006 0.000 0.275 108 G C 0.365 175.248 174.900 -0.028 0.000 1.196 108 G CA 0.275 45.354 45.100 -0.034 0.000 0.908 108 G HN 0.629 nan 8.290 nan 0.000 0.524 109 E N -1.270 118.917 120.200 -0.021 0.000 2.398 109 E HA 0.546 4.900 4.350 0.006 0.000 0.263 109 E C 0.213 176.817 176.600 0.007 0.000 1.046 109 E CA -0.092 56.304 56.400 -0.008 0.000 0.908 109 E CB 0.969 30.666 29.700 -0.004 0.000 0.963 109 E HN 1.417 nan 8.360 nan 0.000 0.431 110 A N 2.443 125.287 122.820 0.041 0.000 2.331 110 A HA 0.690 5.013 4.320 0.006 0.000 0.320 110 A C 0.275 177.945 177.584 0.142 0.000 1.138 110 A CA -0.717 51.362 52.037 0.069 0.000 0.790 110 A CB 0.709 19.785 19.000 0.128 0.000 1.206 110 A HN 0.761 nan 8.150 nan 0.000 0.470 111 R N 1.274 121.825 120.500 0.085 0.000 2.782 111 R HA 0.719 5.062 4.340 0.006 0.000 0.258 111 R C -1.088 175.187 176.300 -0.042 0.000 1.055 111 R CA -0.662 55.480 56.100 0.069 0.000 1.065 111 R CB 0.603 30.903 30.300 -0.001 0.000 1.172 111 R HN 0.277 nan 8.270 nan 0.000 0.510 112 V N 2.041 121.820 119.914 -0.225 0.000 2.508 112 V HA 0.035 4.158 4.120 0.006 0.000 0.281 112 V C 0.371 176.319 176.094 -0.243 0.000 1.041 112 V CA 0.133 62.115 62.300 -0.530 0.000 1.016 112 V CB 0.479 32.027 31.823 -0.458 0.000 0.984 112 V HN 0.752 nan 8.190 nan 0.000 0.478 113 F N 5.327 125.035 119.950 -0.403 0.000 2.653 113 F HA 0.479 5.010 4.527 0.006 0.000 0.288 113 F C 0.347 175.978 175.800 -0.282 0.000 1.121 113 F CA 0.316 58.152 58.000 -0.274 0.000 1.384 113 F CB 0.543 39.420 39.000 -0.206 0.000 1.115 113 F HN 0.304 nan 8.300 nan 0.000 0.599 114 L N 1.464 122.457 121.223 -0.383 0.000 2.661 114 L HA 0.272 4.616 4.340 0.006 0.000 0.263 114 L C -1.938 174.782 176.870 -0.250 0.000 0.956 114 L CA -0.556 54.036 54.840 -0.412 0.000 0.918 114 L CB 1.211 43.010 42.059 -0.434 0.000 1.280 114 L HN -0.168 nan 8.230 nan 0.000 0.416 115 D N 6.300 126.573 120.400 -0.211 0.000 2.462 115 D HA 0.366 5.010 4.640 0.006 0.000 0.249 115 D C -1.818 174.437 176.300 -0.074 0.000 1.117 115 D CA -1.934 51.988 54.000 -0.130 0.000 0.900 115 D CB 1.741 42.458 40.800 -0.138 0.000 1.039 115 D HN 0.190 nan 8.370 nan 0.000 0.516 116 P HA -0.045 nan 4.420 nan 0.000 0.228 116 P C 0.993 178.297 177.300 0.006 0.000 1.151 116 P CA 0.467 63.568 63.100 0.003 0.000 0.770 116 P CB 0.331 32.057 31.700 0.042 0.000 0.786 117 N N 0.223 118.921 118.700 -0.004 0.000 2.453 117 N HA -0.070 4.673 4.740 0.006 0.000 0.183 117 N C 1.512 177.018 175.510 -0.006 0.000 1.041 117 N CA 0.932 53.981 53.050 -0.002 0.000 0.900 117 N CB -0.185 38.298 38.487 -0.007 0.000 0.961 117 N HN 0.363 nan 8.380 nan 0.000 0.443 118 I N -2.388 118.173 120.570 -0.014 0.000 3.793 118 I HA 0.110 4.283 4.170 0.006 0.000 0.315 118 I C 0.954 177.069 176.117 -0.004 0.000 1.275 118 I CA 0.262 61.555 61.300 -0.012 0.000 1.214 118 I CB -0.146 37.840 38.000 -0.023 0.000 1.018 118 I HN -0.104 nan 8.210 nan 0.000 0.439 119 L N 1.358 122.583 121.223 0.004 0.000 2.607 119 L HA 0.278 4.621 4.340 0.006 0.000 0.228 119 L C 0.402 177.279 176.870 0.011 0.000 1.123 119 L CA 0.074 54.922 54.840 0.013 0.000 0.890 119 L CB -0.138 41.938 42.059 0.028 0.000 1.103 119 L HN 0.475 nan 8.230 nan 0.000 0.468 120 S N -2.890 112.814 115.700 0.007 0.000 2.616 120 S HA 0.184 4.657 4.470 0.006 0.000 0.276 120 S C -0.164 174.438 174.600 0.003 0.000 1.159 120 S CA -0.797 57.405 58.200 0.004 0.000 1.000 120 S CB 1.173 64.375 63.200 0.004 0.000 1.117 120 S HN -0.048 nan 8.310 nan 0.000 0.464 121 D N 2.429 122.830 120.400 0.002 0.000 2.239 121 D HA -0.106 4.537 4.640 0.006 0.000 0.202 121 D C 0.950 177.252 176.300 0.003 0.000 0.993 121 D CA 2.206 56.208 54.000 0.002 0.000 0.874 121 D CB -0.055 40.747 40.800 0.003 0.000 0.922 121 D HN 0.916 nan 8.370 nan 0.000 0.464 122 D N -2.469 117.933 120.400 0.002 0.000 2.501 122 D HA 0.279 4.922 4.640 0.006 0.000 0.224 122 D C 1.270 177.572 176.300 0.004 0.000 1.202 122 D CA 0.209 54.211 54.000 0.003 0.000 0.829 122 D CB 0.050 40.851 40.800 0.002 0.000 1.023 122 D HN 0.042 nan 8.370 nan 0.000 0.499 123 G N 0.772 109.575 108.800 0.006 0.000 2.180 123 G HA2 -0.363 3.601 3.960 0.006 0.000 0.263 123 G HA3 -0.363 3.601 3.960 0.006 0.000 0.263 123 G C 1.037 175.941 174.900 0.008 0.000 0.989 123 G CA 0.992 46.097 45.100 0.009 0.000 0.692 123 G HN 0.643 nan 8.290 nan 0.000 0.526 124 T N -2.428 112.125 114.554 -0.001 0.000 3.252 124 T HA 0.496 4.849 4.350 0.006 0.000 0.250 124 T C 0.491 175.189 174.700 -0.004 0.000 1.123 124 T CA 0.436 62.529 62.100 -0.011 0.000 1.006 124 T CB 0.817 69.662 68.868 -0.039 0.000 0.992 124 T HN 0.618 nan 8.240 nan 0.000 0.547 125 V N 1.403 121.325 119.914 0.012 0.000 2.409 125 V HA 0.815 4.939 4.120 0.006 0.000 0.291 125 V C -0.124 175.997 176.094 0.045 0.000 1.020 125 V CA -0.997 61.320 62.300 0.028 0.000 0.848 125 V CB 1.019 32.860 31.823 0.030 0.000 0.990 125 V HN 0.617 nan 8.190 nan 0.000 0.430 126 A N 4.401 127.257 122.820 0.059 0.000 2.449 126 A HA 0.820 5.144 4.320 0.006 0.000 0.302 126 A C -1.038 176.606 177.584 0.101 0.000 1.048 126 A CA -0.754 51.326 52.037 0.071 0.000 0.708 126 A CB 1.589 20.621 19.000 0.054 0.000 1.274 126 A HN 0.905 nan 8.150 nan 0.000 0.410 127 L N 1.753 123.051 121.223 0.124 0.000 2.513 127 L HA 0.426 4.769 4.340 0.006 0.000 0.272 127 L C 0.555 177.514 176.870 0.149 0.000 1.187 127 L CA 1.026 55.974 54.840 0.180 0.000 0.895 127 L CB 0.002 42.196 42.059 0.224 0.000 1.147 127 L HN 0.699 nan 8.230 nan 0.000 0.483 128 R N 4.727 125.317 120.500 0.150 0.000 2.625 128 R HA 0.590 4.933 4.340 0.006 0.000 0.286 128 R C -0.650 175.706 176.300 0.094 0.000 1.406 128 R CA 0.116 56.277 56.100 0.103 0.000 1.052 128 R CB 0.513 30.859 30.300 0.075 0.000 1.203 128 R HN 1.105 nan 8.270 nan 0.000 0.502 129 G N 3.323 112.174 108.800 0.084 0.000 2.785 129 G HA2 -0.121 3.843 3.960 0.006 0.000 0.686 129 G HA3 -0.121 3.843 3.960 0.006 0.000 0.686 129 G C -1.619 173.344 174.900 0.105 0.000 1.155 129 G CA -0.295 44.807 45.100 0.002 0.000 0.760 129 G HN 0.845 nan 8.290 nan 0.000 0.624 130 Y N -1.901 118.436 120.300 0.062 0.000 2.604 130 Y HA 0.899 5.452 4.550 0.006 0.000 0.331 130 Y C -0.338 175.593 175.900 0.052 0.000 1.158 130 Y CA -1.292 56.801 58.100 -0.011 0.000 1.056 130 Y CB 0.930 39.503 38.460 0.189 0.000 1.330 130 Y HN 2.216 nan 8.280 nan 0.000 0.457 131 A N 2.620 125.550 122.820 0.183 0.000 2.465 131 A HA 0.738 5.062 4.320 0.006 0.000 0.292 131 A C -2.115 175.702 177.584 0.389 0.000 1.041 131 A CA -0.616 51.633 52.037 0.354 0.000 0.718 131 A CB 0.645 19.850 19.000 0.341 0.000 1.266 131 A HN 0.618 nan 8.150 nan 0.000 0.403 132 F N 1.629 121.842 119.950 0.439 0.000 2.377 132 F HA 0.514 5.045 4.527 0.006 0.000 0.328 132 F C 1.440 177.158 175.800 -0.136 0.000 1.094 132 F CA 0.275 58.409 58.000 0.223 0.000 1.093 132 F CB 1.840 40.934 39.000 0.158 0.000 1.214 132 F HN 0.661 nan 8.300 nan 0.000 0.518 133 S N 0.308 115.779 115.700 -0.381 0.000 2.617 133 S HA 0.046 4.519 4.470 0.006 0.000 0.259 133 S C 1.049 175.562 174.600 -0.146 0.000 1.301 133 S CA -0.542 57.241 58.200 -0.694 0.000 0.984 133 S CB 0.869 63.619 63.200 -0.751 0.000 0.954 133 S HN 0.714 nan 8.310 nan 0.000 0.572 134 E N 1.387 121.521 120.200 -0.111 0.000 2.077 134 E HA -0.205 4.148 4.350 0.006 0.000 0.193 134 E C 1.342 177.901 176.600 -0.069 0.000 0.989 134 E CA 1.847 58.175 56.400 -0.120 0.000 0.800 134 E CB -0.477 29.040 29.700 -0.305 0.000 0.746 134 E HN 0.805 nan 8.360 nan 0.000 0.452 135 D N -0.964 119.406 120.400 -0.049 0.000 2.348 135 D HA 0.008 4.651 4.640 0.006 0.000 0.216 135 D C 1.381 177.683 176.300 0.003 0.000 0.970 135 D CA 1.017 55.009 54.000 -0.012 0.000 0.889 135 D CB -0.414 40.396 40.800 0.016 0.000 0.912 135 D HN 0.350 nan 8.370 nan 0.000 0.524 136 G N 0.167 108.980 108.800 0.021 0.000 2.143 136 G HA2 -0.300 3.663 3.960 0.006 0.000 0.248 136 G HA3 -0.300 3.663 3.960 0.006 0.000 0.248 136 G C 0.847 175.819 174.900 0.121 0.000 0.991 136 G CA 0.395 45.539 45.100 0.073 0.000 0.689 136 G HN 0.357 nan 8.290 nan 0.000 0.522 137 E N -1.212 119.055 120.200 0.112 0.000 2.472 137 E HA 0.240 4.593 4.350 0.006 0.000 0.196 137 E C -0.048 176.546 176.600 -0.011 0.000 1.033 137 E CA 0.355 56.807 56.400 0.087 0.000 0.886 137 E CB 0.289 30.073 29.700 0.141 0.000 0.944 137 E HN 0.625 nan 8.360 nan 0.000 0.492 138 Y N -0.821 119.498 120.300 0.031 0.000 2.477 138 Y HA 0.395 4.949 4.550 0.006 0.000 0.347 138 Y C -0.816 175.177 175.900 0.154 0.000 0.981 138 Y CA -1.227 56.921 58.100 0.080 0.000 1.033 138 Y CB 1.571 39.972 38.460 -0.097 0.000 1.245 138 Y HN -0.217 nan 8.280 nan 0.000 0.455 139 F N 2.344 122.445 119.950 0.251 0.000 2.520 139 F HA 0.879 5.409 4.527 0.006 0.000 0.322 139 F C -1.052 174.893 175.800 0.241 0.000 1.103 139 F CA -1.065 56.959 58.000 0.041 0.000 0.926 139 F CB 1.325 40.312 39.000 -0.021 0.000 1.154 139 F HN 0.507 nan 8.300 nan 0.000 0.453 140 A N 5.529 128.027 122.820 -0.536 0.000 2.371 140 A HA 0.757 5.081 4.320 0.006 0.000 0.311 140 A C -2.123 174.959 177.584 -0.836 0.000 1.068 140 A CA -0.518 51.068 52.037 -0.752 0.000 0.744 140 A CB 0.787 19.372 19.000 -0.693 0.000 1.239 140 A HN 0.963 nan 8.150 nan 0.000 0.435 141 Y N -0.393 119.431 120.300 -0.794 0.000 2.544 141 Y HA 0.781 5.334 4.550 0.006 0.000 0.342 141 Y C 0.070 175.810 175.900 -0.267 0.000 1.062 141 Y CA -0.870 56.950 58.100 -0.467 0.000 1.023 141 Y CB 1.126 39.379 38.460 -0.346 0.000 1.308 141 Y HN 0.854 nan 8.280 nan 0.000 0.457 142 G N 2.864 111.644 108.800 -0.034 0.000 2.400 142 G HA2 0.673 4.637 3.960 0.006 0.000 0.333 142 G HA3 0.673 4.637 3.960 0.006 0.000 0.333 142 G C -1.752 173.199 174.900 0.084 0.000 1.143 142 G CA -1.127 43.939 45.100 -0.056 0.000 0.914 142 G HN 0.715 nan 8.290 nan 0.000 0.480 143 L N 0.781 122.037 121.223 0.055 0.000 2.386 143 L HA 0.506 4.849 4.340 0.006 0.000 0.271 143 L C -0.011 176.903 176.870 0.073 0.000 0.993 143 L CA -0.698 54.203 54.840 0.102 0.000 0.819 143 L CB 2.526 44.659 42.059 0.123 0.000 1.294 143 L HN 0.378 nan 8.230 nan 0.000 0.414 144 S N 1.769 117.516 115.700 0.079 0.000 2.456 144 S HA 0.708 5.182 4.470 0.006 0.000 0.316 144 S C -0.072 174.568 174.600 0.066 0.000 1.089 144 S CA -0.611 57.638 58.200 0.081 0.000 1.101 144 S CB 1.623 64.871 63.200 0.081 0.000 0.995 144 S HN 0.657 nan 8.310 nan 0.000 0.468 145 A N 2.351 125.210 122.820 0.065 0.000 2.331 145 A HA 0.651 4.974 4.320 0.006 0.000 0.283 145 A C 0.901 178.476 177.584 -0.015 0.000 1.142 145 A CA -0.457 51.594 52.037 0.024 0.000 0.812 145 A CB -0.103 18.908 19.000 0.018 0.000 1.074 145 A HN 1.204 nan 8.150 nan 0.000 0.497 146 S N 0.736 116.382 115.700 -0.089 0.000 3.445 146 S HA -0.186 4.287 4.470 0.006 0.000 0.319 146 S C 1.406 175.960 174.600 -0.076 0.000 1.209 146 S CA 1.820 59.890 58.200 -0.216 0.000 0.934 146 S CB -1.684 61.097 63.200 -0.699 0.000 0.999 146 S HN 2.797 nan 8.310 nan 0.000 0.582 147 G N -0.089 108.725 108.800 0.023 0.000 2.176 147 G HA2 -0.285 3.679 3.960 0.006 0.000 0.253 147 G HA3 -0.285 3.679 3.960 0.006 0.000 0.253 147 G C 0.189 175.169 174.900 0.134 0.000 0.979 147 G CA 0.805 45.955 45.100 0.083 0.000 0.641 147 G HN 1.494 nan 8.290 nan 0.000 0.530 148 S N -0.565 115.232 115.700 0.162 0.000 2.589 148 S HA 0.395 4.868 4.470 0.006 0.000 0.265 148 S C 1.207 175.864 174.600 0.095 0.000 1.342 148 S CA 0.673 58.982 58.200 0.182 0.000 1.005 148 S CB 0.761 64.133 63.200 0.287 0.000 0.909 148 S HN 0.161 nan 8.310 nan 0.000 0.555 149 D N 0.891 121.280 120.400 -0.018 0.000 2.271 149 D HA 0.107 4.751 4.640 0.006 0.000 0.206 149 D C -0.139 176.032 176.300 -0.215 0.000 0.967 149 D CA 0.125 54.023 54.000 -0.170 0.000 0.867 149 D CB -0.037 40.538 40.800 -0.375 0.000 0.960 149 D HN 0.589 nan 8.370 nan 0.000 0.509 150 W N 0.960 122.199 121.300 -0.103 0.000 2.257 150 W HA 0.149 4.813 4.660 0.006 0.000 0.337 150 W C 0.302 176.793 176.519 -0.047 0.000 1.321 150 W CA -0.249 57.047 57.345 -0.082 0.000 1.267 150 W CB 0.626 30.064 29.460 -0.036 0.000 1.187 150 W HN -0.352 nan 8.180 nan 0.000 0.565 151 V N 2.337 122.417 119.914 0.276 0.000 3.102 151 V HA 0.593 4.716 4.120 0.006 0.000 0.312 151 V C -0.320 175.828 176.094 0.089 0.000 1.135 151 V CA -1.006 61.374 62.300 0.133 0.000 1.022 151 V CB 2.450 34.316 31.823 0.073 0.000 1.056 151 V HN 0.381 nan 8.190 nan 0.000 0.436 152 T N 3.142 117.699 114.554 0.005 0.000 2.949 152 T HA 0.577 4.931 4.350 0.006 0.000 0.300 152 T C -0.630 173.969 174.700 -0.169 0.000 0.988 152 T CA -0.165 61.893 62.100 -0.069 0.000 0.993 152 T CB 0.768 69.596 68.868 -0.066 0.000 0.984 152 T HN 0.415 nan 8.240 nan 0.000 0.442 153 I N 3.500 123.923 120.570 -0.246 0.000 2.342 153 I HA 0.449 4.622 4.170 0.006 0.000 0.291 153 I C 0.478 176.312 176.117 -0.471 0.000 1.010 153 I CA -0.752 60.298 61.300 -0.418 0.000 1.308 153 I CB 0.986 38.702 38.000 -0.473 0.000 1.400 153 I HN 0.301 nan 8.210 nan 0.000 0.488 154 K N 4.882 124.830 120.400 -0.752 0.000 2.313 154 K HA 0.695 5.018 4.320 0.006 0.000 0.235 154 K C -1.312 174.844 176.600 -0.741 0.000 1.035 154 K CA -0.756 55.168 56.287 -0.606 0.000 0.868 154 K CB 2.244 34.291 32.500 -0.756 0.000 1.232 154 K HN 0.238 nan 8.250 nan 0.000 0.459 155 F N 0.461 120.279 119.950 -0.220 0.000 2.588 155 F HA 0.543 5.074 4.527 0.006 0.000 0.314 155 F C 0.021 175.947 175.800 0.210 0.000 1.069 155 F CA -0.723 57.304 58.000 0.046 0.000 0.931 155 F CB 1.872 40.954 39.000 0.137 0.000 1.260 155 F HN 0.143 nan 8.300 nan 0.000 0.465 156 M N 1.739 121.639 119.600 0.501 0.000 2.531 156 M HA 0.319 4.802 4.480 0.006 0.000 0.286 156 M C -1.134 175.362 176.300 0.327 0.000 1.232 156 M CA -0.913 54.623 55.300 0.393 0.000 0.877 156 M CB 2.993 35.825 32.600 0.386 0.000 1.726 156 M HN 0.401 nan 8.290 nan 0.000 0.463 157 K N 2.175 122.656 120.400 0.135 0.000 2.281 157 K HA 0.302 4.625 4.320 0.006 0.000 0.272 157 K C 0.457 177.087 176.600 0.050 0.000 1.048 157 K CA -0.149 56.050 56.287 -0.146 0.000 0.898 157 K CB 1.216 33.597 32.500 -0.198 0.000 1.128 157 K HN 0.627 nan 8.250 nan 0.000 0.460 158 V N 1.821 121.801 119.914 0.111 0.000 2.250 158 V HA -0.270 3.854 4.120 0.006 0.000 0.253 158 V C 1.125 177.325 176.094 0.177 0.000 1.065 158 V CA 1.797 64.256 62.300 0.265 0.000 1.039 158 V CB -0.427 31.474 31.823 0.131 0.000 0.647 158 V HN 0.800 nan 8.190 nan 0.000 0.446 159 D N 0.220 120.641 120.400 0.034 0.000 2.346 159 D HA 0.287 4.930 4.640 0.006 0.000 0.267 159 D C 1.157 177.479 176.300 0.035 0.000 1.320 159 D CA 1.108 55.119 54.000 0.019 0.000 0.951 159 D CB 0.208 40.999 40.800 -0.015 0.000 1.079 159 D HN 0.542 nan 8.370 nan 0.000 0.509 160 G N 3.287 112.120 108.800 0.055 0.000 2.159 160 G HA2 -0.167 3.796 3.960 0.006 0.000 0.256 160 G HA3 -0.167 3.796 3.960 0.006 0.000 0.256 160 G C 0.659 175.591 174.900 0.054 0.000 0.977 160 G CA 0.335 45.460 45.100 0.042 0.000 0.652 160 G HN 1.623 nan 8.290 nan 0.000 0.531 161 A N -1.225 121.667 122.820 0.119 0.000 2.251 161 A HA 0.010 4.334 4.320 0.006 0.000 0.283 161 A C 0.644 178.232 177.584 0.006 0.000 1.415 161 A CA 1.952 54.025 52.037 0.059 0.000 0.742 161 A CB -0.906 18.049 19.000 -0.074 0.000 1.151 161 A HN 0.955 nan 8.150 nan 0.000 0.354 162 K N 0.834 121.261 120.400 0.045 0.000 2.172 162 K HA 0.405 4.729 4.320 0.006 0.000 0.276 162 K C 0.305 176.957 176.600 0.086 0.000 1.013 162 K CA -0.376 55.940 56.287 0.048 0.000 0.913 162 K CB 1.339 33.868 32.500 0.048 0.000 1.055 162 K HN 0.821 nan 8.250 nan 0.000 0.461 163 E N 3.544 123.791 120.200 0.080 0.000 2.259 163 E HA 0.233 4.586 4.350 0.006 0.000 0.281 163 E C -0.799 175.877 176.600 0.126 0.000 1.027 163 E CA -0.399 56.069 56.400 0.114 0.000 0.838 163 E CB 0.589 30.338 29.700 0.081 0.000 1.066 163 E HN 0.377 nan 8.360 nan 0.000 0.401 164 L N 5.735 127.061 121.223 0.171 0.000 2.334 164 L HA 0.411 4.754 4.340 0.006 0.000 0.270 164 L C -1.389 175.546 176.870 0.108 0.000 1.018 164 L CA -2.177 52.757 54.840 0.157 0.000 0.811 164 L CB 1.544 43.741 42.059 0.230 0.000 1.271 164 L HN 0.666 nan 8.230 nan 0.000 0.443 165 P HA -0.039 nan 4.420 nan 0.000 0.233 165 P C -0.258 177.053 177.300 0.019 0.000 1.167 165 P CA 0.282 63.403 63.100 0.035 0.000 0.770 165 P CB 0.034 31.746 31.700 0.020 0.000 0.837 166 D N 0.128 120.541 120.400 0.021 0.000 2.488 166 D HA 0.200 4.844 4.640 0.006 0.000 0.238 166 D C -0.181 176.133 176.300 0.024 0.000 1.138 166 D CA 0.892 54.874 54.000 -0.030 0.000 0.873 166 D CB 0.485 41.142 40.800 -0.239 0.000 1.183 166 D HN -0.118 nan 8.370 nan 0.000 0.458 167 V N 2.874 122.731 119.914 -0.094 0.000 2.852 167 V HA 0.327 4.450 4.120 0.006 0.000 0.300 167 V C -0.791 175.165 176.094 -0.229 0.000 1.205 167 V CA -0.823 61.406 62.300 -0.119 0.000 0.940 167 V CB 1.626 33.392 31.823 -0.094 0.000 1.047 167 V HN 0.321 nan 8.190 nan 0.000 0.429 168 L N 3.303 124.369 121.223 -0.263 0.000 2.349 168 L HA 0.861 5.204 4.340 0.006 0.000 0.278 168 L C 0.335 177.093 176.870 -0.186 0.000 0.996 168 L CA -0.105 54.540 54.840 -0.324 0.000 0.825 168 L CB 1.792 43.498 42.059 -0.588 0.000 1.243 168 L HN 0.893 nan 8.230 nan 0.000 0.412 169 E N 1.533 121.662 120.200 -0.118 0.000 2.243 169 E HA 0.722 5.075 4.350 0.006 0.000 0.260 169 E C 0.334 176.933 176.600 -0.001 0.000 0.985 169 E CA -0.809 55.550 56.400 -0.070 0.000 0.858 169 E CB 1.058 30.700 29.700 -0.097 0.000 1.210 169 E HN 0.626 nan 8.360 nan 0.000 0.411 170 R N -1.638 118.852 120.500 -0.016 0.000 3.656 170 R HA -0.125 4.219 4.340 0.006 0.000 0.297 170 R C -0.557 175.999 176.300 0.426 0.000 1.166 170 R CA 0.608 56.740 56.100 0.053 0.000 0.799 170 R CB -2.351 27.968 30.300 0.032 0.000 1.285 170 R HN 0.421 nan 8.270 nan 0.000 0.477 171 V N 0.726 120.878 119.914 0.396 0.000 2.465 171 V HA 0.453 4.577 4.120 0.006 0.000 0.279 171 V C 0.377 176.698 176.094 0.379 0.000 1.045 171 V CA -0.044 62.490 62.300 0.389 0.000 0.938 171 V CB 1.778 33.746 31.823 0.242 0.000 0.986 171 V HN 0.160 nan 8.190 nan 0.000 0.467 172 K N 3.126 123.670 120.400 0.240 0.000 2.546 172 K HA 0.502 4.826 4.320 0.006 0.000 0.264 172 K C -0.635 175.936 176.600 -0.048 0.000 0.937 172 K CA -0.894 55.287 56.287 -0.177 0.000 0.833 172 K CB 1.271 33.396 32.500 -0.624 0.000 1.378 172 K HN 0.420 nan 8.250 nan 0.000 0.432 173 F N 0.674 120.684 119.950 0.101 0.000 2.805 173 F HA -0.290 4.241 4.527 0.006 0.000 0.217 173 F C 0.368 176.228 175.800 0.099 0.000 1.035 173 F CA 0.629 58.683 58.000 0.089 0.000 0.835 173 F CB -1.332 37.725 39.000 0.095 0.000 0.687 173 F HN 0.359 nan 8.300 nan 0.000 0.844 174 S N 0.065 115.891 115.700 0.210 0.000 2.621 174 S HA 0.783 5.256 4.470 0.006 0.000 0.302 174 S C 0.311 175.006 174.600 0.158 0.000 1.093 174 S CA -0.447 57.863 58.200 0.183 0.000 1.017 174 S CB 1.977 65.302 63.200 0.208 0.000 1.077 174 S HN 0.588 nan 8.310 nan 0.000 0.517 175 C N 1.672 121.069 119.300 0.161 0.000 2.517 175 C HA 0.838 5.302 4.460 0.006 0.000 0.357 175 C C -0.054 175.039 174.990 0.172 0.000 1.485 175 C CA -0.867 58.241 59.018 0.151 0.000 2.148 175 C CB -0.517 27.314 27.740 0.151 0.000 2.019 175 C HN 0.895 nan 8.230 nan 0.000 0.576 176 M N 1.537 121.237 119.600 0.167 0.000 2.284 176 M HA 0.496 4.980 4.480 0.006 0.000 0.229 176 M C -0.891 175.536 176.300 0.211 0.000 0.984 176 M CA 0.088 55.476 55.300 0.146 0.000 1.016 176 M CB 1.714 34.350 32.600 0.062 0.000 2.379 176 M HN 1.058 nan 8.290 nan 0.000 0.459 177 A N 2.883 125.872 122.820 0.281 0.000 2.385 177 A HA 0.754 5.078 4.320 0.006 0.000 0.290 177 A C -2.018 175.854 177.584 0.480 0.000 1.094 177 A CA -0.372 51.908 52.037 0.405 0.000 0.729 177 A CB 0.820 20.065 19.000 0.409 0.000 1.194 177 A HN 0.851 nan 8.150 nan 0.000 0.442 178 W N 2.424 123.949 121.300 0.374 0.000 2.316 178 W HA 0.443 5.107 4.660 0.006 0.000 0.311 178 W C 0.933 177.713 176.519 0.435 0.000 1.217 178 W CA 0.319 57.875 57.345 0.351 0.000 1.199 178 W CB 1.403 31.031 29.460 0.281 0.000 1.202 178 W HN 0.755 nan 8.180 nan 0.000 0.528 179 T N -0.744 114.224 114.554 0.691 0.000 2.900 179 T HA 0.002 4.356 4.350 0.006 0.000 0.307 179 T C 0.802 175.850 174.700 0.580 0.000 1.065 179 T CA -0.233 62.223 62.100 0.593 0.000 1.105 179 T CB 0.655 69.808 68.868 0.473 0.000 0.979 179 T HN 0.549 nan 8.240 nan 0.000 0.544 180 H N 0.446 119.685 119.070 0.282 0.000 2.559 180 H HA -0.049 4.510 4.556 0.006 0.000 0.273 180 H C 1.250 176.678 175.328 0.166 0.000 1.000 180 H CA 0.734 56.907 56.048 0.209 0.000 1.195 180 H CB 0.225 30.088 29.762 0.169 0.000 1.368 180 H HN 0.736 nan 8.280 nan 0.000 0.592 181 D N -0.410 120.166 120.400 0.293 0.000 2.349 181 D HA -0.001 4.642 4.640 0.006 0.000 0.224 181 D C 1.745 178.148 176.300 0.172 0.000 1.029 181 D CA 0.680 54.794 54.000 0.192 0.000 0.879 181 D CB -0.354 40.538 40.800 0.155 0.000 0.906 181 D HN 0.325 nan 8.370 nan 0.000 0.528 182 G N 1.186 110.126 108.800 0.233 0.000 2.187 182 G HA2 -0.455 3.508 3.960 0.006 0.000 0.261 182 G HA3 -0.455 3.508 3.960 0.006 0.000 0.261 182 G C 0.949 175.977 174.900 0.212 0.000 1.000 182 G CA 0.859 46.077 45.100 0.197 0.000 0.718 182 G HN 0.538 nan 8.290 nan 0.000 0.519 183 K N -0.299 120.237 120.400 0.227 0.000 2.116 183 K HA 0.358 4.681 4.320 0.006 0.000 0.203 183 K C 1.523 178.178 176.600 0.092 0.000 1.052 183 K CA 1.594 57.968 56.287 0.144 0.000 0.952 183 K CB -0.073 32.517 32.500 0.150 0.000 0.729 183 K HN 0.799 nan 8.250 nan 0.000 0.446 184 G N -0.427 108.451 108.800 0.129 0.000 2.634 184 G HA2 0.406 4.370 3.960 0.006 0.000 0.309 184 G HA3 0.406 4.370 3.960 0.006 0.000 0.309 184 G C -1.870 172.716 174.900 -0.523 0.000 1.299 184 G CA -0.720 44.154 45.100 -0.377 0.000 0.798 184 G HN 0.087 nan 8.290 nan 0.000 0.490 185 M N -0.035 119.010 119.600 -0.926 0.000 2.484 185 M HA 0.662 5.146 4.480 0.006 0.000 0.289 185 M C -1.712 174.362 176.300 -0.375 0.000 1.206 185 M CA -0.713 54.215 55.300 -0.621 0.000 0.892 185 M CB 2.248 34.336 32.600 -0.853 0.000 1.712 185 M HN 0.386 nan 8.290 nan 0.000 0.462 186 F N 3.903 123.916 119.950 0.104 0.000 2.396 186 F HA 0.532 5.062 4.527 0.006 0.000 0.343 186 F C -0.306 175.669 175.800 0.292 0.000 1.104 186 F CA 0.209 58.382 58.000 0.289 0.000 1.161 186 F CB 0.823 40.016 39.000 0.323 0.000 1.146 186 F HN 0.534 nan 8.300 nan 0.000 0.522 187 Y N 0.159 120.641 120.300 0.304 0.000 2.689 187 Y HA 0.575 5.128 4.550 0.006 0.000 0.333 187 Y C -1.964 174.078 175.900 0.236 0.000 1.208 187 Y CA -1.618 56.600 58.100 0.197 0.000 1.055 187 Y CB 1.089 39.601 38.460 0.087 0.000 1.304 187 Y HN 0.514 nan 8.280 nan 0.000 0.455 188 N N 0.715 119.489 118.700 0.124 0.000 2.361 188 N HA 0.838 5.581 4.740 0.006 0.000 0.302 188 N C -1.478 174.077 175.510 0.075 0.000 1.074 188 N CA -0.537 52.518 53.050 0.009 0.000 0.850 188 N CB 2.235 40.752 38.487 0.050 0.000 1.228 188 N HN 0.950 nan 8.380 nan 0.000 0.491 189 A N 0.960 123.807 122.820 0.045 0.000 2.566 189 A HA 0.676 4.999 4.320 0.006 0.000 0.292 189 A C -1.845 175.797 177.584 0.097 0.000 1.112 189 A CA -0.482 51.650 52.037 0.159 0.000 0.707 189 A CB 0.757 19.826 19.000 0.115 0.000 1.302 189 A HN 0.617 nan 8.150 nan 0.000 0.409 190 Y N 0.178 120.663 120.300 0.308 0.000 2.568 190 Y HA 0.571 5.124 4.550 0.006 0.000 0.327 190 Y C -1.976 174.068 175.900 0.240 0.000 1.163 190 Y CA -1.962 56.322 58.100 0.308 0.000 1.219 190 Y CB 1.317 40.012 38.460 0.391 0.000 1.308 190 Y HN 0.454 nan 8.280 nan 0.000 0.503 191 P HA 0.181 nan 4.420 nan 0.000 0.275 191 P C -1.018 176.392 177.300 0.184 0.000 1.227 191 P CA -0.384 62.859 63.100 0.239 0.000 0.781 191 P CB 0.363 32.177 31.700 0.190 0.000 0.906 192 Q N 2.173 122.033 119.800 0.100 0.000 2.318 192 Q HA 0.058 4.401 4.340 0.006 0.000 0.270 192 Q C 0.355 176.383 176.000 0.047 0.000 1.237 192 Q CA 0.090 55.920 55.803 0.045 0.000 0.937 192 Q CB -1.328 27.416 28.738 0.010 0.000 1.375 192 Q HN 0.569 nan 8.270 nan 0.000 0.452 193 Q N -0.010 119.825 119.800 0.057 0.000 2.260 193 Q HA 0.582 4.925 4.340 0.006 0.000 0.242 193 Q C 0.101 176.114 176.000 0.022 0.000 0.932 193 Q CA -0.068 55.769 55.803 0.057 0.000 0.891 193 Q CB 0.784 29.579 28.738 0.095 0.000 1.222 193 Q HN 0.658 nan 8.270 nan 0.000 0.453 194 D N 0.178 120.591 120.400 0.022 0.000 2.350 194 D HA 0.518 5.161 4.640 0.006 0.000 0.249 194 D C 0.708 177.015 176.300 0.011 0.000 1.119 194 D CA 0.259 54.265 54.000 0.009 0.000 0.886 194 D CB 0.467 41.273 40.800 0.010 0.000 1.195 194 D HN 0.931 nan 8.370 nan 0.000 0.437 195 G N 0.735 109.534 108.800 -0.002 0.000 2.295 195 G HA2 0.028 3.992 3.960 0.006 0.000 0.195 195 G HA3 0.028 3.992 3.960 0.006 0.000 0.195 195 G C -0.443 174.447 174.900 -0.017 0.000 1.269 195 G CA -0.288 44.812 45.100 -0.000 0.000 1.170 195 G HN 0.770 nan 8.290 nan 0.000 0.511 196 K N -0.383 120.011 120.400 -0.010 0.000 2.106 196 K HA 0.731 5.055 4.320 0.006 0.000 0.246 196 K C -0.528 176.042 176.600 -0.050 0.000 0.987 196 K CA -0.370 55.897 56.287 -0.033 0.000 0.904 196 K CB 1.619 34.109 32.500 -0.016 0.000 1.071 196 K HN 0.364 nan 8.250 nan 0.000 0.453 197 S N 1.470 117.086 115.700 -0.141 0.000 2.593 197 S HA 0.036 4.509 4.470 0.006 0.000 0.178 197 S C -0.718 173.629 174.600 -0.422 0.000 1.114 197 S CA -0.493 57.489 58.200 -0.363 0.000 1.199 197 S CB -0.035 62.752 63.200 -0.688 0.000 1.564 197 S HN 0.765 nan 8.310 nan 0.000 0.407 198 D N -0.329 120.041 120.400 -0.050 0.000 2.520 198 D HA 0.265 4.908 4.640 0.006 0.000 0.223 198 D C 1.162 177.626 176.300 0.273 0.000 1.186 198 D CA 0.577 54.626 54.000 0.081 0.000 0.821 198 D CB 0.245 41.089 40.800 0.073 0.000 1.072 198 D HN 0.549 nan 8.370 nan 0.000 0.518 199 G N 0.637 109.626 108.800 0.314 0.000 2.201 199 G HA2 -0.301 3.662 3.960 0.006 0.000 0.212 199 G HA3 -0.301 3.662 3.960 0.006 0.000 0.212 199 G C 1.100 175.988 174.900 -0.021 0.000 0.994 199 G CA 0.622 45.857 45.100 0.226 0.000 0.644 199 G HN 0.539 nan 8.290 nan 0.000 0.508 200 T N -0.768 113.713 114.554 -0.123 0.000 3.044 200 T HA 0.371 4.725 4.350 0.006 0.000 0.250 200 T C 1.022 175.686 174.700 -0.060 0.000 1.081 200 T CA 0.975 62.963 62.100 -0.187 0.000 1.040 200 T CB 0.293 69.011 68.868 -0.250 0.000 0.962 200 T HN 0.780 nan 8.240 nan 0.000 0.506 201 E N 2.298 122.506 120.200 0.013 0.000 2.351 201 E HA 0.184 4.538 4.350 0.006 0.000 0.255 201 E C 0.476 177.102 176.600 0.042 0.000 1.188 201 E CA 0.124 56.547 56.400 0.038 0.000 0.940 201 E CB 0.990 30.742 29.700 0.088 0.000 1.094 201 E HN 0.288 nan 8.360 nan 0.000 0.474 202 T N -3.074 111.510 114.554 0.050 0.000 3.058 202 T HA 0.148 4.502 4.350 0.006 0.000 0.278 202 T C 0.057 174.844 174.700 0.145 0.000 0.974 202 T CA -0.098 62.047 62.100 0.074 0.000 0.893 202 T CB -0.290 68.572 68.868 -0.009 0.000 1.138 202 T HN 0.344 nan 8.240 nan 0.000 0.529 203 S N 2.449 118.219 115.700 0.116 0.000 2.553 203 S HA 0.160 4.633 4.470 0.006 0.000 0.293 203 S C 0.517 175.173 174.600 0.094 0.000 1.296 203 S CA -0.065 58.200 58.200 0.108 0.000 1.046 203 S CB 0.410 63.673 63.200 0.104 0.000 0.810 203 S HN 0.527 nan 8.310 nan 0.000 0.505 204 T N 1.616 116.215 114.554 0.077 0.000 2.828 204 T HA 0.191 4.545 4.350 0.006 0.000 0.290 204 T C 0.013 174.748 174.700 0.057 0.000 1.019 204 T CA -0.402 61.739 62.100 0.068 0.000 1.031 204 T CB -0.099 68.804 68.868 0.057 0.000 1.001 204 T HN 0.650 nan 8.240 nan 0.000 0.531 205 N N 2.525 121.270 118.700 0.074 0.000 2.479 205 N HA 0.568 5.311 4.740 0.006 0.000 0.261 205 N C -1.242 174.386 175.510 0.196 0.000 0.979 205 N CA -0.420 52.608 53.050 -0.036 0.000 0.930 205 N CB 0.924 39.234 38.487 -0.294 0.000 1.172 205 N HN 0.362 nan 8.380 nan 0.000 0.499 206 L N 0.900 122.271 121.223 0.247 0.000 2.409 206 L HA 0.504 4.847 4.340 0.006 0.000 0.255 206 L C -0.083 177.060 176.870 0.456 0.000 1.027 206 L CA -0.910 54.082 54.840 0.253 0.000 0.834 206 L CB 1.656 43.739 42.059 0.039 0.000 1.426 206 L HN 0.608 nan 8.230 nan 0.000 0.411 207 H N -0.306 118.917 119.070 0.254 0.000 2.931 207 H HA -0.148 4.412 4.556 0.006 0.000 0.290 207 H C -0.043 175.384 175.328 0.165 0.000 1.264 207 H CA 0.446 56.612 56.048 0.197 0.000 1.140 207 H CB -0.628 29.232 29.762 0.164 0.000 1.343 207 H HN 0.665 nan 8.280 nan 0.000 0.403 208 Q N 1.601 121.479 119.800 0.130 0.000 2.313 208 Q HA 0.189 4.532 4.340 0.006 0.000 0.266 208 Q C -0.104 175.855 176.000 -0.068 0.000 0.989 208 Q CA 0.306 55.914 55.803 -0.326 0.000 0.890 208 Q CB 0.698 29.121 28.738 -0.525 0.000 1.200 208 Q HN 0.388 nan 8.270 nan 0.000 0.396 209 K N 2.842 123.188 120.400 -0.090 0.000 2.306 209 K HA 0.514 4.838 4.320 0.006 0.000 0.236 209 K C -1.072 175.434 176.600 -0.157 0.000 1.013 209 K CA -1.061 55.147 56.287 -0.131 0.000 0.857 209 K CB 1.076 33.413 32.500 -0.270 0.000 1.214 209 K HN 0.382 nan 8.250 nan 0.000 0.449 210 L N 1.663 122.747 121.223 -0.232 0.000 2.296 210 L HA 0.422 4.765 4.340 0.006 0.000 0.286 210 L C -1.626 175.100 176.870 -0.240 0.000 1.023 210 L CA -0.186 54.595 54.840 -0.097 0.000 0.812 210 L CB 0.454 42.541 42.059 0.046 0.000 1.223 210 L HN 0.498 nan 8.230 nan 0.000 0.421 211 Y N 3.614 123.833 120.300 -0.135 0.000 2.630 211 Y HA 0.474 5.028 4.550 0.006 0.000 0.337 211 Y C -1.322 174.612 175.900 0.057 0.000 1.051 211 Y CA -0.392 57.636 58.100 -0.122 0.000 1.121 211 Y CB 1.894 40.103 38.460 -0.418 0.000 1.299 211 Y HN 0.503 nan 8.280 nan 0.000 0.498 212 Y N 1.486 121.890 120.300 0.173 0.000 2.363 212 Y HA 0.348 4.901 4.550 0.006 0.000 0.325 212 Y C -1.080 174.891 175.900 0.119 0.000 0.984 212 Y CA -1.004 57.088 58.100 -0.012 0.000 1.248 212 Y CB 0.243 38.507 38.460 -0.327 0.000 1.116 212 Y HN 0.698 nan 8.280 nan 0.000 0.470 213 H N 4.686 123.562 119.070 -0.324 0.000 2.742 213 H HA 0.459 5.018 4.556 0.006 0.000 0.302 213 H C -1.163 173.791 175.328 -0.622 0.000 1.069 213 H CA -0.196 55.646 56.048 -0.342 0.000 1.446 213 H CB 0.766 30.339 29.762 -0.315 0.000 1.462 213 H HN 0.475 nan 8.280 nan 0.000 0.499 214 V N 7.905 127.326 119.914 -0.822 0.000 2.353 214 V HA 0.045 4.168 4.120 0.006 0.000 0.264 214 V C 0.301 175.877 176.094 -0.862 0.000 1.049 214 V CA -0.761 61.162 62.300 -0.627 0.000 0.896 214 V CB 0.369 32.051 31.823 -0.235 0.000 1.025 214 V HN 0.695 nan 8.190 nan 0.000 0.475 215 L N 5.112 125.907 121.223 -0.713 0.000 2.653 215 L HA 0.256 4.599 4.340 0.006 0.000 0.288 215 L C 1.365 178.015 176.870 -0.366 0.000 1.243 215 L CA 2.322 56.818 54.840 -0.573 0.000 0.906 215 L CB 0.259 42.132 42.059 -0.310 0.000 1.154 215 L HN 0.986 nan 8.230 nan 0.000 0.498 216 G N 1.105 109.736 108.800 -0.281 0.000 2.176 216 G HA2 -0.250 3.714 3.960 0.006 0.000 0.232 216 G HA3 -0.250 3.714 3.960 0.006 0.000 0.232 216 G C 0.265 175.094 174.900 -0.117 0.000 0.986 216 G CA 0.310 45.323 45.100 -0.145 0.000 0.643 216 G HN 0.969 nan 8.290 nan 0.000 0.522 217 T N -2.221 112.236 114.554 -0.163 0.000 2.938 217 T HA 0.649 5.002 4.350 0.006 0.000 0.285 217 T C -0.610 174.122 174.700 0.053 0.000 1.028 217 T CA -0.281 61.778 62.100 -0.069 0.000 1.005 217 T CB 2.722 71.528 68.868 -0.102 0.000 1.157 217 T HN 0.024 nan 8.240 nan 0.000 0.550 218 D N 0.216 120.639 120.400 0.038 0.000 2.304 218 D HA 0.087 4.730 4.640 0.006 0.000 0.247 218 D C 1.016 177.354 176.300 0.063 0.000 1.089 218 D CA -0.117 53.904 54.000 0.035 0.000 0.910 218 D CB 1.770 42.573 40.800 0.006 0.000 1.199 218 D HN 0.788 nan 8.370 nan 0.000 0.426 219 Q N 1.326 121.122 119.800 -0.006 0.000 2.181 219 Q HA -0.183 4.160 4.340 0.006 0.000 0.205 219 Q C 1.657 177.660 176.000 0.005 0.000 0.980 219 Q CA 1.729 57.514 55.803 -0.030 0.000 0.862 219 Q CB 0.084 28.745 28.738 -0.127 0.000 0.905 219 Q HN 0.501 nan 8.270 nan 0.000 0.429 220 S N -0.270 115.427 115.700 -0.006 0.000 2.465 220 S HA -0.159 4.314 4.470 0.006 0.000 0.241 220 S C 1.021 175.638 174.600 0.029 0.000 1.000 220 S CA 1.311 59.510 58.200 -0.001 0.000 0.964 220 S CB -0.146 63.051 63.200 -0.005 0.000 0.763 220 S HN 0.519 nan 8.310 nan 0.000 0.512 221 E N 1.004 121.232 120.200 0.046 0.000 2.474 221 E HA 0.166 4.520 4.350 0.006 0.000 0.195 221 E C -0.644 176.012 176.600 0.093 0.000 1.039 221 E CA -0.287 56.146 56.400 0.056 0.000 0.881 221 E CB 0.033 29.753 29.700 0.033 0.000 0.970 221 E HN 0.475 nan 8.360 nan 0.000 0.486 222 D N 1.142 121.621 120.400 0.131 0.000 2.449 222 D HA -0.008 4.636 4.640 0.006 0.000 0.236 222 D C 0.063 176.515 176.300 0.254 0.000 1.149 222 D CA 0.350 54.477 54.000 0.212 0.000 0.878 222 D CB 0.731 41.689 40.800 0.263 0.000 1.198 222 D HN -0.015 nan 8.370 nan 0.000 0.446 223 I N 2.562 123.299 120.570 0.278 0.000 2.291 223 I HA 0.084 4.258 4.170 0.006 0.000 0.290 223 I C 0.161 176.423 176.117 0.241 0.000 1.050 223 I CA -0.866 60.572 61.300 0.230 0.000 1.245 223 I CB 0.154 38.257 38.000 0.173 0.000 1.405 223 I HN 0.193 nan 8.210 nan 0.000 0.478 224 L N 7.369 128.686 121.223 0.156 0.000 2.477 224 L HA 0.125 4.468 4.340 0.006 0.000 0.272 224 L C 0.565 177.406 176.870 -0.048 0.000 1.157 224 L CA 0.665 55.398 54.840 -0.178 0.000 0.889 224 L CB 0.736 42.626 42.059 -0.281 0.000 1.158 224 L HN 0.702 nan 8.230 nan 0.000 0.473 225 C N 4.301 123.611 119.300 0.016 0.000 2.912 225 C HA 0.769 5.232 4.460 0.006 0.000 0.274 225 C C 0.807 175.975 174.990 0.298 0.000 1.248 225 C CA 0.105 59.251 59.018 0.213 0.000 1.694 225 C CB -1.425 26.590 27.740 0.458 0.000 2.024 225 C HN 0.968 nan 8.230 nan 0.000 0.605 226 A N 1.102 123.946 122.820 0.041 0.000 2.583 226 A HA 0.634 4.957 4.320 0.006 0.000 0.298 226 A C -1.166 176.160 177.584 -0.429 0.000 1.055 226 A CA -0.408 51.561 52.037 -0.113 0.000 0.714 226 A CB 0.855 19.764 19.000 -0.151 0.000 1.277 226 A HN 0.447 nan 8.150 nan 0.000 0.406 227 E N 0.439 120.236 120.200 -0.671 0.000 2.390 227 E HA 0.706 5.059 4.350 0.006 0.000 0.280 227 E C -1.948 174.115 176.600 -0.895 0.000 0.992 227 E CA -0.860 55.138 56.400 -0.671 0.000 0.790 227 E CB 1.377 30.914 29.700 -0.271 0.000 1.248 227 E HN 0.584 nan 8.360 nan 0.000 0.447 228 F N 1.331 121.277 119.950 -0.007 0.000 2.660 228 F HA 0.348 4.879 4.527 0.006 0.000 0.352 228 F C -1.919 173.814 175.800 -0.111 0.000 1.257 228 F CA -2.022 55.925 58.000 -0.089 0.000 1.200 228 F CB 1.497 40.392 39.000 -0.176 0.000 1.473 228 F HN 0.322 nan 8.300 nan 0.000 0.561 229 P HA -0.117 nan 4.420 nan 0.000 0.225 229 P C 0.600 177.936 177.300 0.060 0.000 1.148 229 P CA 1.257 64.425 63.100 0.114 0.000 0.779 229 P CB 0.470 32.208 31.700 0.064 0.000 0.780 230 D N -0.554 119.818 120.400 -0.047 0.000 2.350 230 D HA 0.020 4.664 4.640 0.006 0.000 0.213 230 D C 0.300 176.461 176.300 -0.231 0.000 1.031 230 D CA 0.679 54.616 54.000 -0.104 0.000 0.861 230 D CB 0.180 40.913 40.800 -0.111 0.000 0.926 230 D HN 0.187 nan 8.370 nan 0.000 0.520 231 E N 0.266 120.263 120.200 -0.340 0.000 2.731 231 E HA 0.164 4.517 4.350 0.006 0.000 0.248 231 E C -2.053 174.295 176.600 -0.419 0.000 1.084 231 E CA -1.542 54.527 56.400 -0.551 0.000 0.776 231 E CB 1.942 30.819 29.700 -1.371 0.000 1.404 231 E HN -0.017 nan 8.360 nan 0.000 0.395 232 P HA -0.109 nan 4.420 nan 0.000 0.223 232 P C 0.966 178.092 177.300 -0.290 0.000 1.144 232 P CA 1.134 63.874 63.100 -0.600 0.000 0.783 232 P CB 0.414 31.798 31.700 -0.526 0.000 0.771 233 K N -2.810 117.491 120.400 -0.165 0.000 2.308 233 K HA 0.009 4.333 4.320 0.006 0.000 0.197 233 K C 0.294 177.011 176.600 0.195 0.000 1.049 233 K CA -0.055 56.230 56.287 -0.005 0.000 0.991 233 K CB -0.038 32.458 32.500 -0.007 0.000 0.836 233 K HN 0.104 nan 8.250 nan 0.000 0.500 234 W N 1.909 123.112 121.300 -0.161 0.000 2.257 234 W HA 0.072 4.735 4.660 0.005 0.000 0.337 234 W C 0.178 176.576 176.519 -0.202 0.000 1.321 234 W CA 0.134 57.306 57.345 -0.287 0.000 1.267 234 W CB -0.160 28.910 29.460 -0.650 0.000 1.187 234 W HN -0.039 nan 8.180 nan 0.000 0.565 235 M N 3.296 122.886 119.600 -0.017 0.000 2.124 235 M HA 0.381 4.865 4.480 0.006 0.000 0.280 235 M C 0.307 176.565 176.300 -0.069 0.000 0.954 235 M CA -0.327 54.986 55.300 0.021 0.000 0.958 235 M CB 1.900 34.532 32.600 0.053 0.000 1.611 235 M HN 0.488 nan 8.290 nan 0.000 0.449 236 G N 1.685 110.485 108.800 -0.000 0.000 2.422 236 G HA2 0.689 4.653 3.960 0.006 0.000 0.317 236 G HA3 0.689 4.653 3.960 0.006 0.000 0.317 236 G C -0.360 174.529 174.900 -0.019 0.000 1.210 236 G CA -0.520 44.537 45.100 -0.072 0.000 0.930 236 G HN 0.784 nan 8.290 nan 0.000 0.468 237 G N -0.024 108.758 108.800 -0.029 0.000 2.410 237 G HA2 0.794 4.757 3.960 0.006 0.000 0.330 237 G HA3 0.794 4.757 3.960 0.006 0.000 0.330 237 G C -0.307 174.594 174.900 0.001 0.000 1.142 237 G CA 0.067 45.181 45.100 0.023 0.000 0.902 237 G HN 1.072 nan 8.290 nan 0.000 0.491 238 A N 0.631 123.466 122.820 0.025 0.000 2.387 238 A HA 0.981 5.304 4.320 0.006 0.000 0.303 238 A C -0.393 177.218 177.584 0.044 0.000 1.145 238 A CA -0.594 51.428 52.037 -0.024 0.000 0.801 238 A CB 1.780 20.650 19.000 -0.217 0.000 1.342 238 A HN 1.086 nan 8.150 nan 0.000 0.440 239 E N 0.447 120.672 120.200 0.042 0.000 2.388 239 E HA 0.416 4.769 4.350 0.006 0.000 0.281 239 E C -1.976 174.682 176.600 0.097 0.000 1.046 239 E CA -0.880 55.591 56.400 0.119 0.000 0.825 239 E CB 0.668 30.454 29.700 0.144 0.000 1.243 239 E HN 0.387 nan 8.360 nan 0.000 0.438 240 L N 2.332 123.655 121.223 0.167 0.000 2.343 240 L HA 0.366 4.710 4.340 0.006 0.000 0.275 240 L C 0.740 177.638 176.870 0.047 0.000 1.056 240 L CA -0.401 54.516 54.840 0.127 0.000 0.804 240 L CB 1.308 43.471 42.059 0.173 0.000 1.203 240 L HN 0.848 nan 8.230 nan 0.000 0.440 241 S N 0.887 116.583 115.700 -0.006 0.000 2.587 241 S HA 0.037 4.510 4.470 0.006 0.000 0.260 241 S C 0.794 175.481 174.600 0.145 0.000 1.353 241 S CA -0.674 57.483 58.200 -0.072 0.000 0.995 241 S CB 0.799 64.066 63.200 0.111 0.000 0.912 241 S HN 0.542 nan 8.310 nan 0.000 0.568 242 D N 1.583 122.135 120.400 0.255 0.000 2.123 242 D HA -0.131 4.512 4.640 0.006 0.000 0.196 242 D C 1.389 177.861 176.300 0.287 0.000 0.992 242 D CA 1.691 55.854 54.000 0.272 0.000 0.833 242 D CB -0.548 40.354 40.800 0.169 0.000 0.954 242 D HN 0.843 nan 8.370 nan 0.000 0.455 243 D N -0.480 120.014 120.400 0.157 0.000 2.363 243 D HA 0.040 4.683 4.640 0.006 0.000 0.226 243 D C 1.426 177.737 176.300 0.018 0.000 1.020 243 D CA 0.822 54.906 54.000 0.140 0.000 0.892 243 D CB -0.659 40.202 40.800 0.102 0.000 0.900 243 D HN 0.206 nan 8.370 nan 0.000 0.531 244 G N 1.326 109.950 108.800 -0.292 0.000 2.225 244 G HA2 -0.428 3.536 3.960 0.006 0.000 0.267 244 G HA3 -0.428 3.536 3.960 0.006 0.000 0.267 244 G C 0.957 175.663 174.900 -0.325 0.000 1.024 244 G CA 0.782 45.269 45.100 -1.022 0.000 0.784 244 G HN 0.608 nan 8.290 nan 0.000 0.507 245 R N -1.509 118.936 120.500 -0.091 0.000 2.225 245 R HA 0.392 4.736 4.340 0.006 0.000 0.194 245 R C 0.466 176.646 176.300 -0.199 0.000 0.957 245 R CA 0.234 56.259 56.100 -0.126 0.000 1.042 245 R CB 0.244 30.462 30.300 -0.137 0.000 1.004 245 R HN 0.367 nan 8.270 nan 0.000 0.509 246 Y N -0.312 120.053 120.300 0.108 0.000 2.457 246 Y HA 0.516 5.070 4.550 0.006 0.000 0.333 246 Y C -0.571 175.406 175.900 0.128 0.000 1.119 246 Y CA -1.097 57.112 58.100 0.182 0.000 1.143 246 Y CB 2.270 40.929 38.460 0.332 0.000 1.230 246 Y HN -0.334 nan 8.280 nan 0.000 0.469 247 V N 4.564 124.659 119.914 0.302 0.000 2.350 247 V HA 0.302 4.425 4.120 0.006 0.000 0.285 247 V C -0.546 175.734 176.094 0.310 0.000 1.014 247 V CA -0.836 61.583 62.300 0.198 0.000 0.831 247 V CB 1.016 32.885 31.823 0.077 0.000 1.000 247 V HN 0.543 nan 8.190 nan 0.000 0.433 248 L N 5.933 127.283 121.223 0.212 0.000 2.260 248 L HA 0.499 4.842 4.340 0.006 0.000 0.289 248 L C -0.419 176.542 176.870 0.151 0.000 1.057 248 L CA -0.472 54.505 54.840 0.229 0.000 0.811 248 L CB 1.352 43.515 42.059 0.173 0.000 1.184 248 L HN 0.480 nan 8.230 nan 0.000 0.429 249 L N 3.964 125.263 121.223 0.126 0.000 2.265 249 L HA 0.360 4.703 4.340 0.006 0.000 0.289 249 L C -0.012 176.781 176.870 -0.127 0.000 1.033 249 L CA 0.233 55.023 54.840 -0.083 0.000 0.814 249 L CB 1.445 43.265 42.059 -0.399 0.000 1.203 249 L HN 0.539 nan 8.230 nan 0.000 0.423 250 S N 6.367 122.004 115.700 -0.106 0.000 2.422 250 S HA 0.583 5.057 4.470 0.006 0.000 0.308 250 S C -0.180 174.286 174.600 -0.224 0.000 1.097 250 S CA -0.462 57.668 58.200 -0.117 0.000 1.099 250 S CB 0.468 63.666 63.200 -0.004 0.000 0.976 250 S HN 0.514 nan 8.310 nan 0.000 0.471 251 I N 4.131 124.474 120.570 -0.379 0.000 2.304 251 I HA 0.341 4.514 4.170 0.006 0.000 0.291 251 I C 0.612 176.556 176.117 -0.288 0.000 1.018 251 I CA -0.393 60.607 61.300 -0.500 0.000 1.260 251 I CB 0.635 38.056 38.000 -0.964 0.000 1.390 251 I HN 0.400 nan 8.210 nan 0.000 0.475 252 R N 5.028 125.378 120.500 -0.250 0.000 2.720 252 R HA 0.628 4.972 4.340 0.006 0.000 0.272 252 R C -0.602 175.497 176.300 -0.336 0.000 0.991 252 R CA -0.902 55.070 56.100 -0.214 0.000 1.010 252 R CB 2.111 32.331 30.300 -0.134 0.000 1.141 252 R HN 0.584 nan 8.270 nan 0.000 0.494 253 E N 0.336 120.261 120.200 -0.459 0.000 2.551 253 E HA 0.355 4.708 4.350 0.006 0.000 0.321 253 E C -0.749 175.659 176.600 -0.319 0.000 0.975 253 E CA -0.157 55.997 56.400 -0.409 0.000 0.784 253 E CB 0.751 30.010 29.700 -0.734 0.000 1.493 253 E HN 0.890 nan 8.360 nan 0.000 0.385 254 G N 1.352 110.078 108.800 -0.123 0.000 2.661 254 G HA2 -0.219 3.744 3.960 0.006 0.000 0.685 254 G HA3 -0.219 3.744 3.960 0.006 0.000 0.685 254 G C 0.389 175.275 174.900 -0.023 0.000 1.298 254 G CA -0.439 44.633 45.100 -0.046 0.000 0.855 254 G HN 0.621 nan 8.290 nan 0.000 0.560 255 C N 0.712 120.065 119.300 0.089 0.000 2.625 255 C HA 0.313 4.776 4.460 0.006 0.000 0.285 255 C C 0.929 175.965 174.990 0.077 0.000 1.279 255 C CA -0.308 58.790 59.018 0.132 0.000 1.698 255 C CB -1.647 26.318 27.740 0.376 0.000 1.821 255 C HN 0.619 nan 8.230 nan 0.000 0.600 256 D N 1.988 122.400 120.400 0.019 0.000 2.357 256 D HA 0.159 4.802 4.640 0.006 0.000 0.242 256 D C -2.077 174.225 176.300 0.003 0.000 1.153 256 D CA -1.330 52.682 54.000 0.020 0.000 0.918 256 D CB 0.575 41.384 40.800 0.015 0.000 1.181 256 D HN 0.070 nan 8.370 nan 0.000 0.435 257 P HA 0.083 nan 4.420 nan 0.000 0.225 257 P C -0.857 176.463 177.300 0.034 0.000 1.768 257 P CA -0.096 63.032 63.100 0.048 0.000 0.943 257 P CB -0.121 31.648 31.700 0.116 0.000 1.936 258 V N -1.048 118.878 119.914 0.019 0.000 2.971 258 V HA 0.774 4.897 4.120 0.006 0.000 0.309 258 V C -1.004 175.146 176.094 0.093 0.000 1.130 258 V CA -0.906 61.418 62.300 0.041 0.000 0.964 258 V CB 3.023 34.883 31.823 0.063 0.000 1.029 258 V HN 0.336 nan 8.190 nan 0.000 0.427 259 N N 2.715 121.502 118.700 0.146 0.000 3.243 259 N HA 0.548 5.292 4.740 0.006 0.000 0.280 259 N C -1.375 174.151 175.510 0.028 0.000 1.545 259 N CA -1.027 52.105 53.050 0.137 0.000 0.854 259 N CB 2.610 41.124 38.487 0.046 0.000 1.612 259 N HN 0.729 nan 8.380 nan 0.000 0.577 260 R N -0.109 120.272 120.500 -0.199 0.000 2.664 260 R HA 0.536 4.879 4.340 0.006 0.000 0.286 260 R C -0.994 175.146 176.300 -0.266 0.000 0.967 260 R CA -0.733 55.141 56.100 -0.378 0.000 0.933 260 R CB 1.329 31.156 30.300 -0.789 0.000 1.146 260 R HN 0.475 nan 8.270 nan 0.000 0.468 261 L N 4.545 125.673 121.223 -0.158 0.000 2.345 261 L HA 0.438 4.781 4.340 0.006 0.000 0.274 261 L C -1.619 175.358 176.870 0.180 0.000 0.999 261 L CA -0.364 54.432 54.840 -0.074 0.000 0.849 261 L CB 0.801 42.715 42.059 -0.241 0.000 1.220 261 L HN 0.662 nan 8.230 nan 0.000 0.422 262 W N 4.846 126.101 121.300 -0.076 0.000 2.627 262 W HA 0.530 5.193 4.660 0.005 0.000 0.339 262 W C -0.211 176.428 176.519 0.200 0.000 1.058 262 W CA -0.935 56.408 57.345 -0.005 0.000 1.223 262 W CB 1.165 30.565 29.460 -0.100 0.000 1.389 262 W HN 0.389 nan 8.180 nan 0.000 0.541 263 Y N -0.140 120.357 120.300 0.328 0.000 2.581 263 Y HA 0.692 5.245 4.550 0.006 0.000 0.345 263 Y C -0.924 175.165 175.900 0.315 0.000 1.036 263 Y CA -1.997 56.292 58.100 0.315 0.000 1.042 263 Y CB 1.619 40.128 38.460 0.082 0.000 1.289 263 Y HN 0.533 nan 8.280 nan 0.000 0.471 264 C N 3.118 122.628 119.300 0.350 0.000 2.516 264 C HA 0.407 4.870 4.460 0.006 0.000 0.338 264 C C -0.956 174.082 174.990 0.080 0.000 1.132 264 C CA -0.665 58.347 59.018 -0.010 0.000 1.310 264 C CB 0.528 27.996 27.740 -0.454 0.000 1.898 264 C HN 0.960 nan 8.230 nan 0.000 0.452 265 D N 4.771 125.190 120.400 0.033 0.000 2.398 265 D HA 0.078 4.722 4.640 0.006 0.000 0.250 265 D C 1.442 177.634 176.300 -0.180 0.000 1.287 265 D CA 0.131 54.039 54.000 -0.153 0.000 0.992 265 D CB 0.400 41.164 40.800 -0.060 0.000 1.071 265 D HN 0.764 nan 8.370 nan 0.000 0.514 266 L N 2.919 124.032 121.223 -0.182 0.000 2.151 266 L HA -0.320 4.023 4.340 0.006 0.000 0.215 266 L C 2.502 179.300 176.870 -0.119 0.000 1.084 266 L CA 2.080 56.843 54.840 -0.127 0.000 0.764 266 L CB -0.656 41.356 42.059 -0.079 0.000 0.891 266 L HN 0.524 nan 8.230 nan 0.000 0.435 267 Q N -0.969 118.747 119.800 -0.139 0.000 2.515 267 Q HA -0.127 4.217 4.340 0.006 0.000 0.214 267 Q C 1.747 177.700 176.000 -0.077 0.000 0.971 267 Q CA 0.762 56.508 55.803 -0.095 0.000 0.952 267 Q CB -0.244 28.439 28.738 -0.092 0.000 0.999 267 Q HN 0.486 nan 8.270 nan 0.000 0.524 268 Q N -0.371 119.375 119.800 -0.091 0.000 2.217 268 Q HA 0.109 4.452 4.340 0.006 0.000 0.217 268 Q C -0.449 175.498 176.000 -0.087 0.000 0.844 268 Q CA -0.019 55.739 55.803 -0.075 0.000 0.957 268 Q CB 1.020 29.716 28.738 -0.070 0.000 1.127 268 Q HN 0.581 nan 8.270 nan 0.000 0.503 269 E N 1.408 121.547 120.200 -0.101 0.000 2.265 269 E HA 0.038 4.392 4.350 0.006 0.000 0.272 269 E C 0.944 177.497 176.600 -0.080 0.000 1.067 269 E CA 0.052 56.387 56.400 -0.108 0.000 0.900 269 E CB 1.022 30.648 29.700 -0.123 0.000 1.017 269 E HN 0.133 nan 8.360 nan 0.000 0.431 270 S N 3.735 119.391 115.700 -0.074 0.000 2.408 270 S HA -0.283 4.190 4.470 0.006 0.000 0.241 270 S C 1.007 175.578 174.600 -0.049 0.000 1.080 270 S CA 1.950 60.117 58.200 -0.056 0.000 1.109 270 S CB -0.323 62.845 63.200 -0.053 0.000 0.966 270 S HN 0.716 nan 8.310 nan 0.000 0.449 271 N N 0.195 118.862 118.700 -0.055 0.000 2.926 271 N HA 0.374 5.118 4.740 0.006 0.000 0.201 271 N C 0.020 175.497 175.510 -0.055 0.000 1.419 271 N CA 0.179 53.201 53.050 -0.046 0.000 0.838 271 N CB 0.158 38.624 38.487 -0.035 0.000 1.534 271 N HN 0.634 nan 8.380 nan 0.000 0.569 272 G N 1.009 109.768 108.800 -0.068 0.000 2.660 272 G HA2 -0.146 3.818 3.960 0.006 0.000 0.247 272 G HA3 -0.146 3.818 3.960 0.006 0.000 0.247 272 G C -0.854 173.971 174.900 -0.126 0.000 1.328 272 G CA -0.547 44.502 45.100 -0.086 0.000 0.884 272 G HN 0.372 nan 8.290 nan 0.000 0.531 273 I N 2.009 122.469 120.570 -0.184 0.000 2.282 273 I HA 0.300 4.473 4.170 0.006 0.000 0.290 273 I C 1.496 177.516 176.117 -0.160 0.000 1.090 273 I CA 0.385 61.540 61.300 -0.242 0.000 1.231 273 I CB 0.775 38.459 38.000 -0.527 0.000 1.434 273 I HN 0.739 nan 8.210 nan 0.000 0.487 274 T N 0.466 114.959 114.554 -0.102 0.000 3.044 274 T HA 0.533 4.887 4.350 0.006 0.000 0.260 274 T C 0.619 175.301 174.700 -0.030 0.000 1.019 274 T CA 0.001 62.069 62.100 -0.053 0.000 0.921 274 T CB 0.874 69.715 68.868 -0.044 0.000 1.053 274 T HN 0.721 nan 8.240 nan 0.000 0.533 275 G N 1.330 110.108 108.800 -0.038 0.000 2.452 275 G HA2 0.364 4.328 3.960 0.006 0.000 0.224 275 G HA3 0.364 4.328 3.960 0.006 0.000 0.224 275 G C -1.647 173.247 174.900 -0.010 0.000 1.208 275 G CA -0.971 44.122 45.100 -0.011 0.000 0.946 275 G HN 0.188 nan 8.290 nan 0.000 0.481 276 I N 2.047 122.618 120.570 0.002 0.000 2.752 276 I HA 0.168 4.342 4.170 0.006 0.000 0.289 276 I C 0.856 176.932 176.117 -0.069 0.000 1.197 276 I CA 0.327 61.650 61.300 0.039 0.000 1.432 276 I CB -0.051 37.980 38.000 0.051 0.000 1.359 276 I HN 0.275 nan 8.210 nan 0.000 0.571 277 L N 6.763 127.870 121.223 -0.193 0.000 2.421 277 L HA 0.271 4.614 4.340 0.006 0.000 0.263 277 L C 0.896 177.356 176.870 -0.684 0.000 1.122 277 L CA -0.814 53.647 54.840 -0.633 0.000 0.804 277 L CB 0.405 41.712 42.059 -1.254 0.000 1.150 277 L HN 0.459 nan 8.230 nan 0.000 0.457 278 K N 2.320 122.393 120.400 -0.545 0.000 2.111 278 K HA 0.127 4.451 4.320 0.006 0.000 0.249 278 K C -1.192 175.164 176.600 -0.406 0.000 1.157 278 K CA -0.085 55.989 56.287 -0.355 0.000 1.048 278 K CB -0.243 32.108 32.500 -0.249 0.000 1.498 278 K HN 0.335 nan 8.250 nan 0.000 0.344 279 W N 1.465 122.666 121.300 -0.165 0.000 2.218 279 W HA 0.131 4.795 4.660 0.006 0.000 0.326 279 W C 0.304 176.561 176.519 -0.436 0.000 1.276 279 W CA -0.791 56.421 57.345 -0.222 0.000 1.210 279 W CB 0.669 30.072 29.460 -0.094 0.000 1.143 279 W HN 0.044 nan 8.180 nan 0.000 0.563 280 V N 3.904 123.587 119.914 -0.385 0.000 2.347 280 V HA 0.175 4.299 4.120 0.006 0.000 0.280 280 V C -0.123 175.634 176.094 -0.562 0.000 1.021 280 V CA -1.522 60.389 62.300 -0.648 0.000 0.847 280 V CB 1.052 32.115 31.823 -1.268 0.000 0.990 280 V HN 0.368 nan 8.190 nan 0.000 0.444 281 K N 4.426 124.511 120.400 -0.526 0.000 2.110 281 K HA 0.189 4.513 4.320 0.006 0.000 0.260 281 K C 0.546 177.043 176.600 -0.172 0.000 1.126 281 K CA -0.174 55.811 56.287 -0.504 0.000 1.005 281 K CB 0.515 32.633 32.500 -0.638 0.000 1.336 281 K HN 0.510 nan 8.250 nan 0.000 0.369 282 L N 2.773 123.969 121.223 -0.044 0.000 1.909 282 L HA 0.025 4.369 4.340 0.006 0.000 0.216 282 L C 0.492 177.316 176.870 -0.076 0.000 1.097 282 L CA 1.449 56.247 54.840 -0.071 0.000 0.777 282 L CB 0.168 42.111 42.059 -0.193 0.000 0.887 282 L HN 0.496 nan 8.230 nan 0.000 0.432 283 I N 1.272 121.756 120.570 -0.143 0.000 2.269 283 I HA 0.087 4.261 4.170 0.006 0.000 0.293 283 I C -0.291 175.797 176.117 -0.048 0.000 1.106 283 I CA 0.100 61.305 61.300 -0.159 0.000 1.248 283 I CB -0.181 37.543 38.000 -0.460 0.000 1.444 283 I HN 0.319 nan 8.210 nan 0.000 0.497 284 D N 5.649 126.045 120.400 -0.007 0.000 2.889 284 D HA 0.122 4.765 4.640 0.006 0.000 0.243 284 D C -0.085 176.140 176.300 -0.126 0.000 1.270 284 D CA -0.052 53.962 54.000 0.023 0.000 0.838 284 D CB 0.006 40.842 40.800 0.061 0.000 1.040 284 D HN 0.749 nan 8.370 nan 0.000 0.480 285 N N -2.577 115.987 118.700 -0.227 0.000 2.708 285 N HA 0.231 4.974 4.740 0.006 0.000 0.257 285 N C -0.895 174.418 175.510 -0.329 0.000 1.373 285 N CA -0.855 52.028 53.050 -0.280 0.000 0.843 285 N CB 0.287 38.734 38.487 -0.067 0.000 1.503 285 N HN -0.179 nan 8.380 nan 0.000 0.504 286 F N -0.282 119.637 119.950 -0.052 0.000 2.777 286 F HA 0.293 4.823 4.527 0.006 0.000 0.291 286 F C 1.078 176.857 175.800 -0.035 0.000 1.187 286 F CA -0.293 57.663 58.000 -0.075 0.000 1.406 286 F CB 0.205 39.140 39.000 -0.108 0.000 0.982 286 F HN 0.603 nan 8.300 nan 0.000 0.509 287 E N 0.169 120.439 120.200 0.118 0.000 2.442 287 E HA 0.177 4.530 4.350 0.006 0.000 0.195 287 E C 1.155 177.741 176.600 -0.023 0.000 1.030 287 E CA -0.037 56.395 56.400 0.052 0.000 0.869 287 E CB 0.458 30.174 29.700 0.027 0.000 0.857 287 E HN 0.421 nan 8.360 nan 0.000 0.505 288 G N 0.539 109.323 108.800 -0.026 0.000 2.660 288 G HA2 0.297 4.261 3.960 0.006 0.000 0.290 288 G HA3 0.297 4.261 3.960 0.006 0.000 0.290 288 G C -1.757 172.955 174.900 -0.314 0.000 1.432 288 G CA -0.787 44.172 45.100 -0.235 0.000 0.807 288 G HN -0.005 nan 8.290 nan 0.000 0.485 289 E N -0.541 119.424 120.200 -0.390 0.000 2.197 289 E HA 0.605 4.959 4.350 0.006 0.000 0.281 289 E C -1.590 174.724 176.600 -0.475 0.000 0.995 289 E CA -0.600 55.660 56.400 -0.233 0.000 0.808 289 E CB 0.909 30.606 29.700 -0.004 0.000 1.093 289 E HN 0.399 nan 8.360 nan 0.000 0.394 290 Y N 3.098 123.407 120.300 0.016 0.000 2.349 290 Y HA 0.237 4.790 4.550 0.006 0.000 0.324 290 Y C -0.679 175.309 175.900 0.147 0.000 1.005 290 Y CA -1.048 57.031 58.100 -0.036 0.000 1.240 290 Y CB 1.546 39.814 38.460 -0.320 0.000 1.117 290 Y HN 0.470 nan 8.280 nan 0.000 0.463 291 D N 3.175 123.810 120.400 0.392 0.000 2.427 291 D HA 0.051 4.694 4.640 0.006 0.000 0.226 291 D C -0.934 175.667 176.300 0.502 0.000 1.076 291 D CA -0.600 53.634 54.000 0.391 0.000 0.849 291 D CB 0.554 41.489 40.800 0.225 0.000 1.052 291 D HN 0.478 nan 8.370 nan 0.000 0.515 292 Y N 3.984 124.551 120.300 0.445 0.000 2.729 292 Y HA 0.029 4.582 4.550 0.006 0.000 0.331 292 Y C 0.451 176.377 175.900 0.043 0.000 1.208 292 Y CA 0.380 58.583 58.100 0.171 0.000 1.521 292 Y CB 0.630 39.215 38.460 0.210 0.000 1.233 292 Y HN 0.224 nan 8.280 nan 0.000 0.539 293 V N 4.183 123.690 119.914 -0.679 0.000 2.602 293 V HA 0.123 4.247 4.120 0.006 0.000 0.235 293 V C 0.693 176.271 176.094 -0.861 0.000 1.087 293 V CA 1.444 63.434 62.300 -0.517 0.000 1.117 293 V CB 0.381 32.027 31.823 -0.295 0.000 0.820 293 V HN 0.855 nan 8.190 nan 0.000 0.490 294 T N 0.034 113.944 114.554 -1.073 0.000 2.693 294 T HA 0.370 4.724 4.350 0.006 0.000 0.304 294 T C -2.274 171.953 174.700 -0.788 0.000 1.471 294 T CA -0.500 61.081 62.100 -0.865 0.000 0.993 294 T CB 1.708 70.351 68.868 -0.375 0.000 1.554 294 T HN 0.547 nan 8.240 nan 0.000 0.496 295 N N 1.230 119.605 118.700 -0.542 0.000 2.405 295 N HA 0.333 5.077 4.740 0.006 0.000 0.274 295 N C -1.873 173.386 175.510 -0.419 0.000 1.170 295 N CA -0.650 51.974 53.050 -0.709 0.000 0.848 295 N CB 2.269 39.801 38.487 -1.590 0.000 1.629 295 N HN 0.500 nan 8.380 nan 0.000 0.481 296 E N 1.134 121.134 120.200 -0.334 0.000 2.331 296 E HA 0.421 4.774 4.350 0.006 0.000 0.243 296 E C 0.728 177.244 176.600 -0.140 0.000 0.925 296 E CA 0.016 56.308 56.400 -0.179 0.000 0.760 296 E CB 0.835 30.460 29.700 -0.125 0.000 1.254 296 E HN 1.005 nan 8.360 nan 0.000 0.419 297 G N 2.912 111.656 108.800 -0.093 0.000 2.523 297 G HA2 -0.397 3.567 3.960 0.006 0.000 0.271 297 G HA3 -0.397 3.567 3.960 0.006 0.000 0.271 297 G C 0.989 175.878 174.900 -0.018 0.000 1.146 297 G CA 0.513 45.606 45.100 -0.012 0.000 0.961 297 G HN 0.498 nan 8.290 nan 0.000 0.549 298 T N -1.408 113.141 114.554 -0.007 0.000 3.067 298 T HA 0.381 4.735 4.350 0.006 0.000 0.257 298 T C 1.238 175.840 174.700 -0.164 0.000 1.105 298 T CA 1.167 63.229 62.100 -0.062 0.000 1.104 298 T CB 0.083 68.973 68.868 0.035 0.000 0.925 298 T HN 1.135 nan 8.240 nan 0.000 0.498 299 V N 3.148 122.992 119.914 -0.117 0.000 2.403 299 V HA 0.285 4.408 4.120 0.006 0.000 0.265 299 V C -0.432 175.529 176.094 -0.222 0.000 1.034 299 V CA -0.399 61.828 62.300 -0.122 0.000 1.036 299 V CB -1.259 30.515 31.823 -0.081 0.000 1.032 299 V HN 0.310 nan 8.190 nan 0.000 0.478 300 F N 2.845 122.479 119.950 -0.527 0.000 2.421 300 F HA 0.500 5.030 4.527 0.006 0.000 0.337 300 F C 0.851 176.340 175.800 -0.517 0.000 1.105 300 F CA -0.456 57.176 58.000 -0.613 0.000 1.049 300 F CB 1.842 40.335 39.000 -0.845 0.000 1.139 300 F HN 0.326 nan 8.300 nan 0.000 0.479 301 T N 4.641 118.895 114.554 -0.499 0.000 2.771 301 T HA 0.637 4.990 4.350 0.006 0.000 0.281 301 T C -0.998 173.443 174.700 -0.432 0.000 0.982 301 T CA -0.383 61.529 62.100 -0.313 0.000 0.978 301 T CB 0.345 69.070 68.868 -0.239 0.000 0.930 301 T HN 0.174 nan 8.240 nan 0.000 0.447 302 F N 1.263 121.230 119.950 0.028 0.000 2.556 302 F HA 0.491 5.021 4.527 0.006 0.000 0.314 302 F C 0.337 176.184 175.800 0.078 0.000 1.106 302 F CA -1.301 56.751 58.000 0.087 0.000 0.911 302 F CB 1.828 40.944 39.000 0.193 0.000 1.190 302 F HN 0.289 nan 8.300 nan 0.000 0.448 303 K N 1.659 122.221 120.400 0.269 0.000 2.339 303 K HA 0.438 4.762 4.320 0.006 0.000 0.286 303 K C -0.345 176.372 176.600 0.195 0.000 1.050 303 K CA 0.143 56.538 56.287 0.181 0.000 0.956 303 K CB 0.959 33.532 32.500 0.122 0.000 0.990 303 K HN 0.825 nan 8.250 nan 0.000 0.475 304 T N 1.513 116.150 114.554 0.138 0.000 2.864 304 T HA 0.337 4.690 4.350 0.006 0.000 0.289 304 T C -0.559 174.089 174.700 -0.087 0.000 1.082 304 T CA -0.784 61.293 62.100 -0.039 0.000 1.009 304 T CB 0.775 69.572 68.868 -0.120 0.000 1.234 304 T HN 0.788 nan 8.240 nan 0.000 0.526 305 N N 0.604 119.117 118.700 -0.312 0.000 2.307 305 N HA 0.130 4.873 4.740 0.006 0.000 0.248 305 N C -0.250 175.065 175.510 -0.326 0.000 1.322 305 N CA -0.538 52.205 53.050 -0.512 0.000 0.861 305 N CB -0.088 37.847 38.487 -0.919 0.000 1.303 305 N HN 0.395 nan 8.380 nan 0.000 0.498 306 R N 1.596 121.932 120.500 -0.273 0.000 2.387 306 R HA 0.082 4.425 4.340 0.006 0.000 0.321 306 R C -0.438 175.760 176.300 -0.169 0.000 1.174 306 R CA 0.454 56.385 56.100 -0.282 0.000 1.002 306 R CB -1.186 29.009 30.300 -0.175 0.000 1.028 306 R HN 0.234 nan 8.270 nan 0.000 0.482 307 H N 0.725 119.762 119.070 -0.054 0.000 2.969 307 H HA -0.145 4.414 4.556 0.005 0.000 0.269 307 H C -0.948 174.355 175.328 -0.041 0.000 1.230 307 H CA 1.043 57.072 56.048 -0.033 0.000 1.123 307 H CB -1.766 27.992 29.762 -0.007 0.000 1.289 307 H HN 0.478 nan 8.280 nan 0.000 0.364 308 S N 0.252 115.946 115.700 -0.010 0.000 2.312 308 S HA 0.268 4.741 4.470 0.006 0.000 0.173 308 S C -1.692 172.804 174.600 -0.173 0.000 1.488 308 S CA -0.677 57.494 58.200 -0.050 0.000 1.239 308 S CB 1.568 64.743 63.200 -0.042 0.000 1.215 308 S HN -0.025 nan 8.310 nan 0.000 0.438 309 P HA -0.069 nan 4.420 nan 0.000 0.218 309 P C 0.401 177.682 177.300 -0.033 0.000 1.146 309 P CA 1.333 64.386 63.100 -0.078 0.000 0.813 309 P CB 0.009 31.726 31.700 0.028 0.000 0.778 310 N N -3.478 115.259 118.700 0.061 0.000 2.230 310 N HA 0.112 4.856 4.740 0.006 0.000 0.202 310 N C -0.903 174.840 175.510 0.388 0.000 1.119 310 N CA -0.281 52.923 53.050 0.257 0.000 0.851 310 N CB -0.078 38.554 38.487 0.242 0.000 0.990 310 N HN 0.002 nan 8.380 nan 0.000 0.497 311 Y N 0.014 120.345 120.300 0.053 0.000 2.521 311 Y HA -0.332 4.221 4.550 0.006 0.000 0.021 311 Y C 0.382 176.304 175.900 0.036 0.000 1.717 311 Y CA -0.136 57.977 58.100 0.021 0.000 1.409 311 Y CB -0.424 38.024 38.460 -0.020 0.000 2.055 311 Y HN 0.203 nan 8.280 nan 0.000 0.256 312 R N 0.197 120.794 120.500 0.161 0.000 3.142 312 R HA 0.962 5.305 4.340 0.006 0.000 0.260 312 R C -2.040 174.320 176.300 0.100 0.000 1.129 312 R CA -1.381 54.791 56.100 0.120 0.000 0.976 312 R CB 1.623 31.992 30.300 0.115 0.000 1.396 312 R HN 0.443 nan 8.270 nan 0.000 0.434 313 L N 1.636 122.914 121.223 0.092 0.000 2.386 313 L HA 0.701 5.044 4.340 0.006 0.000 0.271 313 L C -0.683 176.262 176.870 0.126 0.000 0.993 313 L CA -0.927 53.966 54.840 0.089 0.000 0.819 313 L CB 2.215 44.294 42.059 0.033 0.000 1.294 313 L HN 0.614 nan 8.230 nan 0.000 0.414 314 I N -0.364 120.301 120.570 0.158 0.000 2.994 314 I HA 0.529 4.703 4.170 0.006 0.000 0.306 314 I C -1.611 174.603 176.117 0.161 0.000 1.195 314 I CA -0.703 60.709 61.300 0.188 0.000 1.001 314 I CB 2.612 40.771 38.000 0.265 0.000 1.244 314 I HN 0.575 nan 8.210 nan 0.000 0.437 315 N N 4.332 123.116 118.700 0.141 0.000 2.342 315 N HA 0.646 5.389 4.740 0.006 0.000 0.293 315 N C -1.339 174.213 175.510 0.069 0.000 1.026 315 N CA -0.698 52.406 53.050 0.090 0.000 0.857 315 N CB 2.530 41.058 38.487 0.069 0.000 1.256 315 N HN 0.457 nan 8.380 nan 0.000 0.484 316 I N 1.237 121.832 120.570 0.042 0.000 2.447 316 I HA 0.166 4.340 4.170 0.006 0.000 0.287 316 I C -0.741 175.427 176.117 0.086 0.000 1.023 316 I CA -0.698 60.585 61.300 -0.029 0.000 1.083 316 I CB 1.786 39.669 38.000 -0.193 0.000 1.245 316 I HN 0.388 nan 8.210 nan 0.000 0.434 317 D N 5.972 126.452 120.400 0.133 0.000 2.295 317 D HA 0.201 4.844 4.640 0.006 0.000 0.248 317 D C 0.748 177.201 176.300 0.256 0.000 1.154 317 D CA -0.028 54.044 54.000 0.119 0.000 0.857 317 D CB 1.013 41.884 40.800 0.118 0.000 1.117 317 D HN 0.425 nan 8.370 nan 0.000 0.468 318 F N 1.204 121.103 119.950 -0.084 0.000 2.546 318 F HA -0.160 4.371 4.527 0.006 0.000 0.298 318 F C 2.477 178.275 175.800 -0.003 0.000 1.120 318 F CA 0.655 58.559 58.000 -0.159 0.000 1.456 318 F CB 0.333 39.075 39.000 -0.431 0.000 1.088 318 F HN 0.416 nan 8.300 nan 0.000 0.572 319 T N -3.962 110.725 114.554 0.221 0.000 3.035 319 T HA -0.076 4.277 4.350 0.006 0.000 0.259 319 T C 0.596 175.384 174.700 0.146 0.000 1.078 319 T CA 0.636 62.836 62.100 0.167 0.000 1.132 319 T CB -0.022 68.926 68.868 0.135 0.000 0.900 319 T HN -0.098 nan 8.240 nan 0.000 0.480 320 D N 2.156 122.653 120.400 0.162 0.000 2.502 320 D HA 0.348 4.991 4.640 0.006 0.000 0.301 320 D C -1.708 174.722 176.300 0.218 0.000 1.202 320 D CA -2.290 51.805 54.000 0.159 0.000 0.878 320 D CB 1.571 42.456 40.800 0.142 0.000 1.062 320 D HN 0.128 nan 8.370 nan 0.000 0.499 321 P HA -0.095 nan 4.420 nan 0.000 0.217 321 P C 0.406 177.939 177.300 0.388 0.000 1.150 321 P CA 0.792 64.056 63.100 0.273 0.000 0.832 321 P CB -0.049 31.742 31.700 0.151 0.000 0.787 322 E N 1.911 122.236 120.200 0.209 0.000 2.829 322 E HA -0.206 4.147 4.350 0.006 0.000 0.264 322 E C 1.220 177.803 176.600 -0.029 0.000 0.922 322 E CA 0.633 57.087 56.400 0.090 0.000 0.960 322 E CB -0.836 28.886 29.700 0.037 0.000 0.918 322 E HN 0.443 nan 8.360 nan 0.000 0.497 323 E N 1.221 121.192 120.200 -0.381 0.000 2.085 323 E HA -0.168 4.186 4.350 0.006 0.000 0.194 323 E C 1.565 177.673 176.600 -0.819 0.000 0.994 323 E CA 1.384 57.003 56.400 -1.302 0.000 0.801 323 E CB -0.070 28.965 29.700 -1.107 0.000 0.743 323 E HN 0.744 nan 8.360 nan 0.000 0.453 324 S N -0.040 115.443 115.700 -0.362 0.000 3.361 324 S HA 0.035 4.509 4.470 0.006 0.000 0.246 324 S C 0.577 175.132 174.600 -0.076 0.000 1.237 324 S CA 0.061 58.152 58.200 -0.182 0.000 1.240 324 S CB 0.027 63.163 63.200 -0.106 0.000 1.154 324 S HN 0.162 nan 8.310 nan 0.000 0.461 325 K N -0.866 119.509 120.400 -0.043 0.000 2.614 325 K HA 0.069 4.393 4.320 0.006 0.000 0.183 325 K C -0.614 176.166 176.600 0.300 0.000 1.792 325 K CA -0.307 56.057 56.287 0.129 0.000 1.211 325 K CB -0.080 32.520 32.500 0.168 0.000 1.735 325 K HN 0.413 nan 8.250 nan 0.000 0.587 326 W N 4.340 125.692 121.300 0.087 0.000 2.314 326 W HA 0.041 4.704 4.660 0.006 0.000 0.339 326 W C 0.768 177.345 176.519 0.096 0.000 1.293 326 W CA -0.143 57.267 57.345 0.108 0.000 1.288 326 W CB -0.083 29.453 29.460 0.126 0.000 1.186 326 W HN -0.092 nan 8.180 nan 0.000 0.566 327 K N 2.545 123.132 120.400 0.313 0.000 2.213 327 K HA 0.412 4.735 4.320 0.006 0.000 0.270 327 K C -0.937 175.775 176.600 0.187 0.000 1.002 327 K CA -0.563 55.845 56.287 0.202 0.000 0.868 327 K CB 1.181 33.767 32.500 0.143 0.000 1.093 327 K HN 0.211 nan 8.250 nan 0.000 0.454 328 V N 6.674 126.684 119.914 0.161 0.000 2.439 328 V HA -0.024 4.099 4.120 0.006 0.000 0.271 328 V C 1.204 177.363 176.094 0.108 0.000 1.040 328 V CA -0.067 62.318 62.300 0.141 0.000 1.002 328 V CB 0.795 32.692 31.823 0.123 0.000 1.000 328 V HN 0.810 nan 8.190 nan 0.000 0.477 329 L N 6.858 128.140 121.223 0.098 0.000 2.145 329 L HA 0.243 4.586 4.340 0.006 0.000 0.201 329 L C 0.704 177.619 176.870 0.074 0.000 1.075 329 L CA 1.718 56.603 54.840 0.076 0.000 0.773 329 L CB 0.531 42.624 42.059 0.056 0.000 0.936 329 L HN 0.446 nan 8.230 nan 0.000 0.451 330 V N 1.278 121.233 119.914 0.070 0.000 2.439 330 V HA 0.385 4.509 4.120 0.006 0.000 0.277 330 V C -2.351 173.798 176.094 0.092 0.000 1.008 330 V CA -1.573 60.769 62.300 0.070 0.000 0.846 330 V CB 0.715 32.543 31.823 0.008 0.000 1.031 330 V HN 0.087 nan 8.190 nan 0.000 0.441 331 P HA 0.017 nan 4.420 nan 0.000 0.267 331 P C 0.094 177.465 177.300 0.119 0.000 1.195 331 P CA 0.065 63.221 63.100 0.093 0.000 0.773 331 P CB 0.521 32.260 31.700 0.065 0.000 0.837 332 E N 2.231 122.499 120.200 0.115 0.000 2.414 332 E HA -0.077 4.276 4.350 0.006 0.000 0.263 332 E C -0.265 176.432 176.600 0.160 0.000 1.000 332 E CA -0.234 56.257 56.400 0.151 0.000 0.914 332 E CB 0.267 30.035 29.700 0.113 0.000 0.948 332 E HN 0.428 nan 8.360 nan 0.000 0.444 333 H N 3.189 122.351 119.070 0.154 0.000 2.646 333 H HA -0.014 4.545 4.556 0.006 0.000 0.325 333 H C 0.845 176.225 175.328 0.087 0.000 1.075 333 H CA 0.468 56.581 56.048 0.109 0.000 1.421 333 H CB 1.241 31.077 29.762 0.123 0.000 1.461 333 H HN 0.928 nan 8.280 nan 0.000 0.525 334 E N 3.274 123.448 120.200 -0.042 0.000 2.130 334 E HA -0.238 4.115 4.350 0.006 0.000 0.196 334 E C 1.204 177.913 176.600 0.181 0.000 0.998 334 E CA 1.759 58.184 56.400 0.041 0.000 0.806 334 E CB 0.119 29.777 29.700 -0.070 0.000 0.738 334 E HN 0.610 nan 8.360 nan 0.000 0.459 335 K N 0.502 121.168 120.400 0.442 0.000 2.474 335 K HA 0.122 4.445 4.320 0.006 0.000 0.204 335 K C 0.299 177.033 176.600 0.222 0.000 1.220 335 K CA 0.559 57.002 56.287 0.261 0.000 0.966 335 K CB 0.264 32.864 32.500 0.167 0.000 1.049 335 K HN 0.039 nan 8.250 nan 0.000 0.554 336 D N 0.887 121.359 120.400 0.120 0.000 2.225 336 D HA 0.355 4.999 4.640 0.006 0.000 0.248 336 D C -0.703 175.726 176.300 0.216 0.000 1.096 336 D CA -0.275 53.684 54.000 -0.069 0.000 0.863 336 D CB 1.839 42.224 40.800 -0.693 0.000 1.156 336 D HN 0.049 nan 8.370 nan 0.000 0.450 337 V N 3.376 123.413 119.914 0.204 0.000 2.498 337 V HA 0.091 4.214 4.120 0.006 0.000 0.279 337 V C 0.293 176.409 176.094 0.037 0.000 1.048 337 V CA -0.771 61.632 62.300 0.171 0.000 0.967 337 V CB 1.445 33.324 31.823 0.093 0.000 0.988 337 V HN 0.328 nan 8.190 nan 0.000 0.473 338 L N 5.536 126.710 121.223 -0.080 0.000 2.334 338 L HA 0.329 4.672 4.340 0.006 0.000 0.286 338 L C 1.227 177.843 176.870 -0.423 0.000 1.108 338 L CA 0.611 55.184 54.840 -0.445 0.000 0.875 338 L CB -0.115 41.723 42.059 -0.368 0.000 1.246 338 L HN 0.710 nan 8.230 nan 0.000 0.439 339 E N 5.010 124.956 120.200 -0.423 0.000 2.001 339 E HA -0.074 4.279 4.350 0.006 0.000 0.195 339 E C -0.380 176.126 176.600 -0.157 0.000 1.002 339 E CA 1.732 57.954 56.400 -0.297 0.000 0.819 339 E CB 0.018 29.579 29.700 -0.231 0.000 0.769 339 E HN 0.740 nan 8.360 nan 0.000 0.454 340 W N -1.128 120.012 121.300 -0.267 0.000 3.118 340 W HA 0.603 5.266 4.660 0.005 0.000 0.328 340 W C -1.465 174.901 176.519 -0.255 0.000 1.239 340 W CA -0.875 56.331 57.345 -0.232 0.000 1.176 340 W CB 0.729 30.075 29.460 -0.189 0.000 1.433 340 W HN -0.332 nan 8.180 nan 0.000 0.562 341 V N 1.673 121.681 119.914 0.156 0.000 2.656 341 V HA 0.816 4.940 4.120 0.006 0.000 0.307 341 V C -0.293 175.872 176.094 0.119 0.000 1.051 341 V CA -0.765 61.551 62.300 0.027 0.000 0.893 341 V CB 1.200 32.980 31.823 -0.072 0.000 0.999 341 V HN 0.813 nan 8.190 nan 0.000 0.426 342 A N 2.591 125.462 122.820 0.085 0.000 2.393 342 A HA 0.717 5.040 4.320 0.006 0.000 0.306 342 A C -0.668 176.986 177.584 0.118 0.000 1.050 342 A CA -0.439 51.653 52.037 0.092 0.000 0.724 342 A CB 1.547 20.560 19.000 0.021 0.000 1.248 342 A HN 0.995 nan 8.150 nan 0.000 0.424 343 C N 2.334 121.697 119.300 0.106 0.000 2.350 343 C HA 0.823 5.286 4.460 0.006 0.000 0.348 343 C C -0.073 175.024 174.990 0.179 0.000 1.260 343 C CA 0.050 59.130 59.018 0.104 0.000 1.966 343 C CB 0.107 27.851 27.740 0.006 0.000 2.380 343 C HN 1.065 nan 8.230 nan 0.000 0.535 344 V N 6.561 126.605 119.914 0.217 0.000 3.120 344 V HA 0.636 4.759 4.120 0.006 0.000 0.303 344 V C 0.251 176.491 176.094 0.244 0.000 1.238 344 V CA -0.581 61.860 62.300 0.236 0.000 1.008 344 V CB 1.801 33.796 31.823 0.287 0.000 1.064 344 V HN 1.027 nan 8.190 nan 0.000 0.434 345 R N 3.190 123.798 120.500 0.179 0.000 3.416 345 R HA -0.229 4.115 4.340 0.006 0.000 0.263 345 R C 0.982 177.277 176.300 -0.008 0.000 1.053 345 R CA 0.891 57.058 56.100 0.112 0.000 0.705 345 R CB -1.468 28.964 30.300 0.220 0.000 1.124 345 R HN 1.423 nan 8.270 nan 0.000 0.444 346 S N -1.944 113.765 115.700 0.015 0.000 2.557 346 S HA -0.347 4.127 4.470 0.006 0.000 0.240 346 S C 0.617 175.188 174.600 -0.049 0.000 1.210 346 S CA 1.815 59.999 58.200 -0.028 0.000 2.526 346 S CB -1.057 62.107 63.200 -0.060 0.000 1.373 346 S HN 0.863 nan 8.310 nan 0.000 0.497 347 N N 0.992 119.615 118.700 -0.127 0.000 2.275 347 N HA 0.398 5.141 4.740 0.006 0.000 0.236 347 N C -0.587 174.901 175.510 -0.038 0.000 1.154 347 N CA -0.192 52.792 53.050 -0.110 0.000 0.866 347 N CB 0.286 38.678 38.487 -0.159 0.000 1.093 347 N HN 0.502 nan 8.380 nan 0.000 0.515 348 F N 1.187 121.162 119.950 0.043 0.000 2.450 348 F HA 0.504 5.035 4.527 0.006 0.000 0.332 348 F C -0.105 175.740 175.800 0.074 0.000 1.093 348 F CA -1.087 56.954 58.000 0.068 0.000 1.003 348 F CB 1.898 40.950 39.000 0.087 0.000 1.151 348 F HN -0.137 nan 8.300 nan 0.000 0.474 349 L N 4.316 125.731 121.223 0.320 0.000 2.381 349 L HA 0.510 4.854 4.340 0.006 0.000 0.274 349 L C -1.205 175.753 176.870 0.145 0.000 0.988 349 L CA -1.053 53.892 54.840 0.175 0.000 0.824 349 L CB 2.148 44.274 42.059 0.111 0.000 1.263 349 L HN 0.252 nan 8.230 nan 0.000 0.410 350 V N 4.524 124.492 119.914 0.090 0.000 2.328 350 V HA 0.448 4.571 4.120 0.006 0.000 0.278 350 V C 0.046 176.053 176.094 -0.146 0.000 1.021 350 V CA -0.526 61.791 62.300 0.029 0.000 0.838 350 V CB 1.141 32.997 31.823 0.055 0.000 0.999 350 V HN 0.495 nan 8.190 nan 0.000 0.447 351 L N 3.929 125.041 121.223 -0.185 0.000 2.331 351 L HA 0.693 5.037 4.340 0.006 0.000 0.275 351 L C -0.186 176.360 176.870 -0.539 0.000 1.022 351 L CA -0.407 54.186 54.840 -0.411 0.000 0.812 351 L CB 1.892 43.724 42.059 -0.379 0.000 1.257 351 L HN 0.735 nan 8.230 nan 0.000 0.435 352 C N 2.562 121.306 119.300 -0.926 0.000 2.356 352 C HA 0.558 5.021 4.460 0.006 0.000 0.324 352 C C -0.260 174.342 174.990 -0.647 0.000 1.167 352 C CA -0.486 58.009 59.018 -0.872 0.000 1.420 352 C CB -0.461 26.307 27.740 -1.621 0.000 2.036 352 C HN 0.651 nan 8.230 nan 0.000 0.435 353 Y N 3.330 123.431 120.300 -0.331 0.000 2.392 353 Y HA 0.651 5.205 4.550 0.006 0.000 0.323 353 Y C 0.190 176.001 175.900 -0.148 0.000 1.291 353 Y CA -0.651 57.318 58.100 -0.218 0.000 1.345 353 Y CB 0.878 39.238 38.460 -0.167 0.000 1.320 353 Y HN 0.518 nan 8.280 nan 0.000 0.518 354 L N 2.021 123.298 121.223 0.089 0.000 2.318 354 L HA 0.276 4.620 4.340 0.006 0.000 0.277 354 L C -1.345 175.585 176.870 0.100 0.000 1.008 354 L CA -0.458 54.410 54.840 0.046 0.000 0.846 354 L CB 0.063 42.103 42.059 -0.031 0.000 1.220 354 L HN 0.594 nan 8.230 nan 0.000 0.423 355 H N 4.254 123.333 119.070 0.016 0.000 2.661 355 H HA 0.348 4.907 4.556 0.006 0.000 0.290 355 H C -0.697 174.673 175.328 0.070 0.000 1.082 355 H CA -0.352 55.705 56.048 0.015 0.000 1.234 355 H CB 0.274 30.025 29.762 -0.019 0.000 1.387 355 H HN 0.586 nan 8.280 nan 0.000 0.476 356 D N 4.605 124.881 120.400 -0.206 0.000 2.812 356 D HA -0.177 4.466 4.640 0.006 0.000 0.237 356 D C 0.337 176.602 176.300 -0.058 0.000 1.162 356 D CA 1.152 55.087 54.000 -0.108 0.000 0.740 356 D CB -1.191 39.522 40.800 -0.146 0.000 1.000 356 D HN 0.666 nan 8.370 nan 0.000 0.416 357 V N -1.900 117.939 119.914 -0.125 0.000 4.766 357 V HA -0.353 3.770 4.120 0.006 0.000 0.260 357 V C 0.649 176.834 176.094 0.151 0.000 0.542 357 V CA 1.809 64.096 62.300 -0.021 0.000 0.766 357 V CB -1.749 30.069 31.823 -0.009 0.000 0.697 357 V HN 0.553 nan 8.190 nan 0.000 1.171 358 K N 0.251 120.729 120.400 0.129 0.000 2.482 358 K HA 0.519 4.843 4.320 0.006 0.000 0.251 358 K C -0.128 176.557 176.600 0.141 0.000 0.936 358 K CA -0.732 55.660 56.287 0.175 0.000 0.791 358 K CB 1.992 34.634 32.500 0.236 0.000 1.213 358 K HN 0.456 nan 8.250 nan 0.000 0.428 359 N N 0.782 119.560 118.700 0.130 0.000 2.529 359 N HA 0.201 4.944 4.740 0.006 0.000 0.278 359 N C -0.892 174.684 175.510 0.109 0.000 1.146 359 N CA 0.083 53.195 53.050 0.102 0.000 0.980 359 N CB 1.012 39.566 38.487 0.111 0.000 1.124 359 N HN 0.482 nan 8.380 nan 0.000 0.458 360 T N -0.273 114.313 114.554 0.053 0.000 2.886 360 T HA 0.429 4.782 4.350 0.006 0.000 0.292 360 T C -0.804 173.883 174.700 -0.022 0.000 1.012 360 T CA -0.843 61.274 62.100 0.029 0.000 0.982 360 T CB 0.736 69.610 68.868 0.009 0.000 1.018 360 T HN 0.208 nan 8.240 nan 0.000 0.451 361 L N 2.933 124.139 121.223 -0.028 0.000 2.319 361 L HA 0.498 4.841 4.340 0.006 0.000 0.281 361 L C -0.005 176.926 176.870 0.103 0.000 1.005 361 L CA -0.575 54.234 54.840 -0.052 0.000 0.828 361 L CB 1.717 43.651 42.059 -0.207 0.000 1.227 361 L HN 0.810 nan 8.230 nan 0.000 0.415 362 Q N 2.975 122.833 119.800 0.096 0.000 2.576 362 Q HA 0.695 5.039 4.340 0.006 0.000 0.249 362 Q C -1.470 174.635 176.000 0.174 0.000 1.041 362 Q CA -0.934 54.920 55.803 0.084 0.000 0.928 362 Q CB 3.066 31.904 28.738 0.167 0.000 1.302 362 Q HN 0.437 nan 8.270 nan 0.000 0.504 363 L N 0.397 121.654 121.223 0.058 0.000 2.541 363 L HA 0.401 4.744 4.340 0.006 0.000 0.266 363 L C -1.593 175.279 176.870 0.004 0.000 0.966 363 L CA -0.039 54.850 54.840 0.081 0.000 0.871 363 L CB 1.333 43.362 42.059 -0.050 0.000 1.232 363 L HN 0.646 nan 8.230 nan 0.000 0.408 364 H N 1.552 120.631 119.070 0.016 0.000 2.693 364 H HA 0.378 4.937 4.556 0.006 0.000 0.348 364 H C -1.258 174.160 175.328 0.149 0.000 1.222 364 H CA -0.812 55.270 56.048 0.058 0.000 1.270 364 H CB 2.241 32.036 29.762 0.054 0.000 1.798 364 H HN 0.655 nan 8.280 nan 0.000 0.592 365 D N 1.194 121.749 120.400 0.259 0.000 2.359 365 D HA 0.017 4.661 4.640 0.006 0.000 0.230 365 D C 1.056 177.444 176.300 0.148 0.000 1.118 365 D CA -0.559 53.570 54.000 0.214 0.000 0.844 365 D CB 0.879 41.763 40.800 0.141 0.000 1.059 365 D HN 0.285 nan 8.370 nan 0.000 0.493 366 L N 5.104 126.398 121.223 0.119 0.000 2.051 366 L HA -0.155 4.189 4.340 0.006 0.000 0.214 366 L C 1.943 178.831 176.870 0.030 0.000 1.076 366 L CA 2.610 57.482 54.840 0.052 0.000 0.758 366 L CB -0.990 41.076 42.059 0.011 0.000 0.890 366 L HN 0.595 nan 8.230 nan 0.000 0.433 367 A N -1.346 121.489 122.820 0.025 0.000 1.865 367 A HA -0.256 4.067 4.320 0.006 0.000 0.217 367 A C 2.389 179.991 177.584 0.031 0.000 1.191 367 A CA 3.125 55.171 52.037 0.015 0.000 0.623 367 A CB -1.223 17.781 19.000 0.006 0.000 0.826 367 A HN 0.662 nan 8.150 nan 0.000 0.444 368 T N -6.296 108.287 114.554 0.049 0.000 3.018 368 T HA 0.439 4.792 4.350 0.006 0.000 0.246 368 T C 1.432 176.179 174.700 0.079 0.000 1.026 368 T CA 1.245 63.378 62.100 0.056 0.000 1.081 368 T CB 0.452 69.350 68.868 0.050 0.000 0.970 368 T HN 1.861 nan 8.240 nan 0.000 0.475 369 G N 1.480 110.346 108.800 0.111 0.000 2.179 369 G HA2 0.057 4.020 3.960 0.006 0.000 0.220 369 G HA3 0.057 4.020 3.960 0.006 0.000 0.220 369 G C 0.362 175.420 174.900 0.264 0.000 0.990 369 G CA -0.015 45.184 45.100 0.166 0.000 0.646 369 G HN 1.185 nan 8.290 nan 0.000 0.517 370 A N 0.025 122.933 122.820 0.148 0.000 2.483 370 A HA 0.607 4.930 4.320 0.006 0.000 0.238 370 A C 0.539 178.080 177.584 -0.070 0.000 1.070 370 A CA 0.561 52.639 52.037 0.068 0.000 0.770 370 A CB 0.499 19.512 19.000 0.022 0.000 1.008 370 A HN 1.686 nan 8.150 nan 0.000 0.497 371 L N 2.331 123.388 121.223 -0.276 0.000 2.331 371 L HA 0.384 4.727 4.340 0.006 0.000 0.278 371 L C 0.443 177.097 176.870 -0.360 0.000 1.106 371 L CA 0.342 54.768 54.840 -0.689 0.000 0.824 371 L CB 0.353 42.093 42.059 -0.531 0.000 1.142 371 L HN 0.714 nan 8.230 nan 0.000 0.443 372 L N 3.208 124.223 121.223 -0.346 0.000 2.349 372 L HA 0.366 4.709 4.340 0.006 0.000 0.200 372 L C 0.813 177.520 176.870 -0.271 0.000 1.064 372 L CA 0.127 54.838 54.840 -0.216 0.000 0.821 372 L CB -0.086 41.896 42.059 -0.128 0.000 1.027 372 L HN 0.572 nan 8.230 nan 0.000 0.476 373 K N 0.269 120.446 120.400 -0.372 0.000 2.536 373 K HA 0.513 4.837 4.320 0.006 0.000 0.269 373 K C -1.637 174.615 176.600 -0.581 0.000 0.965 373 K CA -0.598 55.401 56.287 -0.481 0.000 0.860 373 K CB 3.137 35.266 32.500 -0.619 0.000 1.423 373 K HN -0.119 nan 8.250 nan 0.000 0.438 374 I N 2.979 123.223 120.570 -0.545 0.000 2.378 374 I HA 0.312 4.485 4.170 0.006 0.000 0.291 374 I C -0.768 175.037 176.117 -0.521 0.000 0.992 374 I CA -0.749 60.290 61.300 -0.435 0.000 1.154 374 I CB 0.984 38.833 38.000 -0.251 0.000 1.315 374 I HN 0.417 nan 8.210 nan 0.000 0.448 375 F N 7.075 126.932 119.950 -0.154 0.000 2.405 375 F HA 0.327 4.858 4.527 0.006 0.000 0.355 375 F C -1.727 173.980 175.800 -0.156 0.000 1.121 375 F CA -2.144 55.758 58.000 -0.163 0.000 1.112 375 F CB 0.814 39.667 39.000 -0.245 0.000 1.126 375 F HN 0.249 nan 8.300 nan 0.000 0.481 376 P HA 0.227 nan 4.420 nan 0.000 0.271 376 P C -0.985 176.242 177.300 -0.121 0.000 1.233 376 P CA 0.200 63.264 63.100 -0.061 0.000 0.764 376 P CB 1.081 32.744 31.700 -0.060 0.000 0.825 377 L N 2.123 123.279 121.223 -0.111 0.000 2.409 377 L HA 0.394 4.738 4.340 0.006 0.000 0.262 377 L C 0.839 177.620 176.870 -0.148 0.000 0.992 377 L CA -1.027 53.687 54.840 -0.210 0.000 0.817 377 L CB 2.416 44.448 42.059 -0.045 0.000 1.350 377 L HN 0.262 nan 8.230 nan 0.000 0.411 378 E N 0.779 120.792 120.200 -0.311 0.000 2.855 378 E HA 0.240 4.594 4.350 0.006 0.000 0.259 378 E C -0.634 176.117 176.600 0.252 0.000 1.390 378 E CA -0.567 55.828 56.400 -0.008 0.000 1.069 378 E CB 1.029 30.748 29.700 0.032 0.000 1.172 378 E HN 0.167 nan 8.360 nan 0.000 0.668 379 V N 0.460 120.542 119.914 0.281 0.000 2.508 379 V HA 0.452 4.575 4.120 0.006 0.000 0.281 379 V C 0.782 177.041 176.094 0.274 0.000 1.041 379 V CA 1.171 63.633 62.300 0.269 0.000 1.016 379 V CB 0.261 32.215 31.823 0.219 0.000 0.984 379 V HN 0.853 nan 8.190 nan 0.000 0.478 380 G N 4.095 113.005 108.800 0.184 0.000 2.399 380 G HA2 0.358 4.321 3.960 0.006 0.000 0.256 380 G HA3 0.358 4.321 3.960 0.006 0.000 0.256 380 G C -1.025 173.823 174.900 -0.086 0.000 1.236 380 G CA -0.275 44.753 45.100 -0.120 0.000 0.914 380 G HN 0.599 nan 8.290 nan 0.000 0.482 381 S N -1.093 114.456 115.700 -0.252 0.000 2.538 381 S HA 0.623 5.096 4.470 0.006 0.000 0.288 381 S C -0.456 174.159 174.600 0.025 0.000 1.108 381 S CA -0.394 57.761 58.200 -0.074 0.000 0.971 381 S CB 1.897 65.030 63.200 -0.111 0.000 1.041 381 S HN 0.836 nan 8.310 nan 0.000 0.483 382 V N 4.095 124.125 119.914 0.192 0.000 2.389 382 V HA 0.169 4.292 4.120 0.006 0.000 0.264 382 V C 0.636 176.892 176.094 0.270 0.000 1.049 382 V CA -0.008 62.487 62.300 0.324 0.000 0.932 382 V CB 1.102 33.170 31.823 0.409 0.000 1.011 382 V HN 0.838 nan 8.190 nan 0.000 0.475 383 V N 4.128 124.172 119.914 0.217 0.000 3.660 383 V HA 0.431 4.555 4.120 0.006 0.000 0.276 383 V C 1.002 177.188 176.094 0.153 0.000 1.317 383 V CA 0.888 63.277 62.300 0.148 0.000 1.097 383 V CB 0.079 31.957 31.823 0.093 0.000 0.863 383 V HN 0.876 nan 8.190 nan 0.000 0.438 384 G N -1.101 107.836 108.800 0.228 0.000 2.704 384 G HA2 0.607 4.571 3.960 0.006 0.000 0.293 384 G HA3 0.607 4.571 3.960 0.006 0.000 0.293 384 G C -2.315 172.781 174.900 0.326 0.000 1.421 384 G CA -0.558 44.669 45.100 0.210 0.000 0.870 384 G HN -0.042 nan 8.290 nan 0.000 0.492 385 Y N 0.353 120.705 120.300 0.087 0.000 2.592 385 Y HA 0.649 5.202 4.550 0.006 0.000 0.334 385 Y C -0.868 175.107 175.900 0.125 0.000 1.136 385 Y CA -0.702 57.473 58.100 0.125 0.000 1.042 385 Y CB 2.317 40.719 38.460 -0.097 0.000 1.325 385 Y HN 1.155 nan 8.280 nan 0.000 0.457 386 S N 3.304 118.582 115.700 -0.702 0.000 2.511 386 S HA 0.736 5.209 4.470 0.006 0.000 0.233 386 S C -1.065 173.224 174.600 -0.519 0.000 1.104 386 S CA 0.087 58.058 58.200 -0.382 0.000 1.129 386 S CB 0.525 63.789 63.200 0.107 0.000 1.159 386 S HN 1.673 nan 8.310 nan 0.000 0.451 387 G N 3.148 111.620 108.800 -0.545 0.000 2.334 387 G HA2 0.482 4.445 3.960 0.006 0.000 0.290 387 G HA3 0.482 4.445 3.960 0.006 0.000 0.290 387 G C -1.301 173.687 174.900 0.146 0.000 1.310 387 G CA -0.564 44.449 45.100 -0.146 0.000 1.308 387 G HN 0.490 nan 8.290 nan 0.000 0.612 388 Q N 0.879 120.762 119.800 0.137 0.000 2.240 388 Q HA 0.394 4.738 4.340 0.006 0.000 0.260 388 Q C 1.343 177.427 176.000 0.140 0.000 1.018 388 Q CA -0.907 54.990 55.803 0.157 0.000 0.898 388 Q CB 2.260 31.079 28.738 0.135 0.000 1.301 388 Q HN 0.673 nan 8.270 nan 0.000 0.469 389 K N 1.145 121.619 120.400 0.123 0.000 2.074 389 K HA -0.242 4.081 4.320 0.006 0.000 0.209 389 K C 1.879 178.528 176.600 0.081 0.000 1.048 389 K CA 2.401 58.745 56.287 0.095 0.000 0.926 389 K CB 0.035 32.581 32.500 0.076 0.000 0.713 389 K HN 0.525 nan 8.250 nan 0.000 0.444 390 K N 1.056 121.503 120.400 0.077 0.000 2.365 390 K HA -0.011 4.313 4.320 0.006 0.000 0.197 390 K C 0.317 176.952 176.600 0.058 0.000 1.042 390 K CA 1.290 57.611 56.287 0.058 0.000 0.987 390 K CB -0.401 32.127 32.500 0.047 0.000 0.779 390 K HN 0.300 nan 8.250 nan 0.000 0.484 391 D N 0.365 120.811 120.400 0.076 0.000 2.360 391 D HA 0.109 4.752 4.640 0.006 0.000 0.242 391 D C 0.636 176.992 176.300 0.093 0.000 1.184 391 D CA 0.996 55.044 54.000 0.080 0.000 0.930 391 D CB 1.663 42.521 40.800 0.096 0.000 1.161 391 D HN 0.353 nan 8.370 nan 0.000 0.447 392 T N -2.651 111.959 114.554 0.093 0.000 3.339 392 T HA 0.330 4.683 4.350 0.006 0.000 0.292 392 T C -0.000 174.751 174.700 0.086 0.000 1.012 392 T CA -0.672 61.489 62.100 0.101 0.000 0.937 392 T CB -0.132 68.786 68.868 0.084 0.000 1.164 392 T HN 0.586 nan 8.240 nan 0.000 0.509 393 E N 0.738 120.976 120.200 0.062 0.000 2.388 393 E HA 0.561 4.915 4.350 0.006 0.000 0.282 393 E C -1.201 175.351 176.600 -0.081 0.000 1.026 393 E CA -1.379 54.989 56.400 -0.054 0.000 0.820 393 E CB 1.272 30.949 29.700 -0.038 0.000 1.226 393 E HN 0.370 nan 8.360 nan 0.000 0.432 394 I N -1.085 119.346 120.570 -0.232 0.000 3.023 394 I HA 0.805 4.979 4.170 0.006 0.000 0.312 394 I C -1.470 174.476 176.117 -0.285 0.000 1.056 394 I CA -1.253 59.941 61.300 -0.178 0.000 1.033 394 I CB 1.766 39.737 38.000 -0.049 0.000 1.233 394 I HN 0.600 nan 8.210 nan 0.000 0.462 395 F N 3.027 122.921 119.950 -0.094 0.000 2.588 395 F HA 0.533 5.063 4.527 0.006 0.000 0.318 395 F C -1.261 174.624 175.800 0.142 0.000 1.155 395 F CA -0.480 57.498 58.000 -0.036 0.000 0.967 395 F CB 2.142 41.103 39.000 -0.064 0.000 1.236 395 F HN 0.543 nan 8.300 nan 0.000 0.455 396 Y N 1.084 121.572 120.300 0.313 0.000 2.470 396 Y HA 0.605 5.159 4.550 0.006 0.000 0.341 396 Y C -1.189 174.951 175.900 0.401 0.000 1.021 396 Y CA -1.230 57.083 58.100 0.355 0.000 1.025 396 Y CB 1.318 39.993 38.460 0.358 0.000 1.266 396 Y HN 0.571 nan 8.280 nan 0.000 0.448 397 Q N 3.420 123.487 119.800 0.445 0.000 2.241 397 Q HA 0.469 4.812 4.340 0.006 0.000 0.254 397 Q C -1.966 174.303 176.000 0.449 0.000 0.917 397 Q CA -0.903 55.113 55.803 0.356 0.000 0.919 397 Q CB 1.351 30.243 28.738 0.256 0.000 1.237 397 Q HN 0.775 nan 8.270 nan 0.000 0.434 398 F N 2.568 122.679 119.950 0.269 0.000 2.467 398 F HA 0.544 5.074 4.527 0.006 0.000 0.336 398 F C -0.817 175.064 175.800 0.134 0.000 1.123 398 F CA -0.243 57.910 58.000 0.256 0.000 0.964 398 F CB 1.977 41.204 39.000 0.378 0.000 1.136 398 F HN 0.451 nan 8.300 nan 0.000 0.447 399 T N 3.595 117.766 114.554 -0.638 0.000 2.916 399 T HA 0.770 5.124 4.350 0.006 0.000 0.292 399 T C -1.133 173.063 174.700 -0.840 0.000 1.064 399 T CA -0.140 61.630 62.100 -0.550 0.000 1.011 399 T CB 1.415 70.155 68.868 -0.213 0.000 1.152 399 T HN 0.984 nan 8.240 nan 0.000 0.510 400 S N 1.205 116.622 115.700 -0.471 0.000 2.636 400 S HA 0.441 4.914 4.470 0.006 0.000 0.268 400 S C 0.453 174.969 174.600 -0.140 0.000 1.159 400 S CA -0.721 57.230 58.200 -0.415 0.000 0.815 400 S CB 0.071 63.099 63.200 -0.286 0.000 1.130 400 S HN 0.578 nan 8.310 nan 0.000 0.471 401 F N 0.507 120.423 119.950 -0.057 0.000 2.147 401 F HA -0.064 4.467 4.527 0.006 0.000 0.301 401 F C 1.834 177.696 175.800 0.105 0.000 1.084 401 F CA 1.632 59.614 58.000 -0.029 0.000 1.268 401 F CB -0.163 38.776 39.000 -0.103 0.000 1.009 401 F HN 0.394 nan 8.300 nan 0.000 0.486 402 L N -1.242 120.177 121.223 0.326 0.000 2.664 402 L HA 0.175 4.519 4.340 0.006 0.000 0.233 402 L C 0.568 177.598 176.870 0.266 0.000 1.113 402 L CA -0.069 54.971 54.840 0.333 0.000 0.896 402 L CB -0.084 42.114 42.059 0.232 0.000 1.163 402 L HN -0.012 nan 8.230 nan 0.000 0.497 403 S N -1.042 114.724 115.700 0.110 0.000 2.498 403 S HA 0.432 4.905 4.470 0.006 0.000 0.317 403 S C -2.156 172.115 174.600 -0.548 0.000 1.090 403 S CA -1.319 56.779 58.200 -0.170 0.000 1.089 403 S CB 2.151 65.366 63.200 0.025 0.000 0.997 403 S HN -0.215 nan 8.310 nan 0.000 0.470 404 P HA 0.171 nan 4.420 nan 0.000 0.215 404 P C 0.710 177.810 177.300 -0.333 0.000 1.153 404 P CA 1.647 64.135 63.100 -1.019 0.000 0.853 404 P CB -0.139 30.993 31.700 -0.947 0.000 0.788 405 G N -1.824 106.858 108.800 -0.198 0.000 2.376 405 G HA2 0.434 4.398 3.960 0.006 0.000 0.302 405 G HA3 0.434 4.398 3.960 0.006 0.000 0.302 405 G C -2.033 172.879 174.900 0.020 0.000 1.586 405 G CA -0.640 44.444 45.100 -0.027 0.000 0.907 405 G HN -0.018 nan 8.290 nan 0.000 0.655 406 I N 1.031 121.652 120.570 0.084 0.000 2.571 406 I HA 0.427 4.601 4.170 0.006 0.000 0.289 406 I C -0.472 175.578 176.117 -0.111 0.000 1.115 406 I CA -0.729 60.529 61.300 -0.070 0.000 1.045 406 I CB 2.294 40.203 38.000 -0.150 0.000 1.238 406 I HN 0.346 nan 8.210 nan 0.000 0.424 407 I N 5.960 126.437 120.570 -0.154 0.000 2.336 407 I HA 0.340 4.513 4.170 0.006 0.000 0.292 407 I C -0.865 175.133 176.117 -0.199 0.000 0.991 407 I CA -0.326 60.951 61.300 -0.038 0.000 1.227 407 I CB 0.955 39.025 38.000 0.116 0.000 1.366 407 I HN 0.386 nan 8.210 nan 0.000 0.466 408 Y N 4.673 124.852 120.300 -0.200 0.000 2.496 408 Y HA 0.475 5.028 4.550 0.006 0.000 0.331 408 Y C 0.149 175.877 175.900 -0.286 0.000 1.140 408 Y CA -0.482 57.409 58.100 -0.348 0.000 1.166 408 Y CB 1.333 39.241 38.460 -0.921 0.000 1.249 408 Y HN 0.466 nan 8.280 nan 0.000 0.479 409 H N 0.632 119.590 119.070 -0.188 0.000 2.797 409 H HA 0.616 5.176 4.556 0.006 0.000 0.372 409 H C -1.697 173.449 175.328 -0.304 0.000 1.168 409 H CA -0.797 54.919 56.048 -0.553 0.000 1.163 409 H CB 2.286 31.670 29.762 -0.631 0.000 1.778 409 H HN 0.776 nan 8.280 nan 0.000 0.551 410 C N 4.306 122.843 119.300 -1.273 0.000 2.968 410 C HA 0.102 4.566 4.460 0.006 0.000 0.389 410 C C -0.904 173.718 174.990 -0.613 0.000 1.068 410 C CA -0.806 57.825 59.018 -0.646 0.000 1.272 410 C CB 0.108 27.679 27.740 -0.283 0.000 1.711 410 C HN 0.848 nan 8.230 nan 0.000 0.501 411 D N 4.427 124.620 120.400 -0.346 0.000 2.359 411 D HA 0.171 4.815 4.640 0.006 0.000 0.250 411 D C 0.868 177.157 176.300 -0.018 0.000 1.264 411 D CA 0.072 54.009 54.000 -0.105 0.000 0.911 411 D CB 0.742 41.565 40.800 0.038 0.000 1.056 411 D HN 0.719 nan 8.370 nan 0.000 0.499 412 L N 3.254 124.493 121.223 0.025 0.000 2.645 412 L HA 0.011 4.354 4.340 0.006 0.000 0.235 412 L C 2.039 179.029 176.870 0.201 0.000 1.150 412 L CA 0.321 55.245 54.840 0.140 0.000 0.911 412 L CB -0.359 41.837 42.059 0.229 0.000 1.077 412 L HN 0.400 nan 8.230 nan 0.000 0.438 413 T N -4.518 110.107 114.554 0.119 0.000 3.086 413 T HA 0.108 4.461 4.350 0.006 0.000 0.250 413 T C 0.840 175.589 174.700 0.082 0.000 1.074 413 T CA -0.279 61.880 62.100 0.099 0.000 0.988 413 T CB 0.187 69.098 68.868 0.071 0.000 0.988 413 T HN -0.044 nan 8.240 nan 0.000 0.530 414 K N 1.654 122.102 120.400 0.080 0.000 2.156 414 K HA 0.341 4.665 4.320 0.006 0.000 0.271 414 K C 0.769 177.409 176.600 0.067 0.000 0.995 414 K CA -0.328 55.995 56.287 0.061 0.000 0.890 414 K CB 1.966 34.494 32.500 0.047 0.000 1.073 414 K HN 0.029 nan 8.250 nan 0.000 0.454 415 E N 2.408 122.639 120.200 0.051 0.000 2.035 415 E HA -0.224 4.129 4.350 0.006 0.000 0.204 415 E C 0.305 176.929 176.600 0.040 0.000 1.025 415 E CA 1.994 58.422 56.400 0.047 0.000 0.835 415 E CB -0.045 29.673 29.700 0.030 0.000 0.764 415 E HN 0.719 nan 8.360 nan 0.000 0.457 416 E N 0.333 120.548 120.200 0.025 0.000 2.129 416 E HA 0.309 4.662 4.350 0.006 0.000 0.283 416 E C -0.386 176.223 176.600 0.014 0.000 1.080 416 E CA -0.172 56.234 56.400 0.010 0.000 0.867 416 E CB -0.345 29.358 29.700 0.004 0.000 1.056 416 E HN 0.265 nan 8.360 nan 0.000 0.404 417 L N 2.499 123.723 121.223 0.002 0.000 2.451 417 L HA 0.429 4.773 4.340 0.006 0.000 0.272 417 L C 1.032 177.920 176.870 0.030 0.000 1.258 417 L CA 0.177 55.026 54.840 0.015 0.000 1.132 417 L CB -0.290 41.755 42.059 -0.023 0.000 1.361 417 L HN 0.724 nan 8.230 nan 0.000 0.438 418 E N 4.578 124.803 120.200 0.042 0.000 2.113 418 E HA 0.578 4.931 4.350 0.006 0.000 0.273 418 E C -2.498 174.149 176.600 0.078 0.000 0.924 418 E CA -1.826 54.604 56.400 0.051 0.000 0.764 418 E CB 0.651 30.370 29.700 0.031 0.000 1.104 418 E HN 0.328 nan 8.360 nan 0.000 0.406 419 P HA 0.777 nan 4.420 nan 0.000 0.286 419 P C -0.322 177.056 177.300 0.129 0.000 1.261 419 P CA -0.353 62.821 63.100 0.124 0.000 0.821 419 P CB 1.332 33.153 31.700 0.201 0.000 1.013 420 R N 0.777 121.364 120.500 0.144 0.000 2.771 420 R HA 0.538 4.881 4.340 0.006 0.000 0.274 420 R C -0.745 175.654 176.300 0.165 0.000 0.987 420 R CA -0.800 55.388 56.100 0.146 0.000 0.908 420 R CB 0.445 30.798 30.300 0.089 0.000 1.213 420 R HN 0.387 nan 8.270 nan 0.000 0.468 421 V N 2.769 122.728 119.914 0.076 0.000 2.540 421 V HA 0.143 4.266 4.120 0.006 0.000 0.297 421 V C 0.740 176.807 176.094 -0.045 0.000 1.024 421 V CA 1.015 63.253 62.300 -0.103 0.000 1.105 421 V CB 0.454 32.181 31.823 -0.160 0.000 0.938 421 V HN 0.837 nan 8.190 nan 0.000 0.482 422 F N 5.423 125.257 119.950 -0.195 0.000 2.315 422 F HA 0.376 4.906 4.527 0.006 0.000 0.284 422 F C 1.187 176.853 175.800 -0.222 0.000 1.049 422 F CA 0.287 58.194 58.000 -0.154 0.000 1.323 422 F CB 0.384 39.381 39.000 -0.005 0.000 1.113 422 F HN 0.431 nan 8.300 nan 0.000 0.544 423 R N 0.830 121.276 120.500 -0.089 0.000 2.673 423 R HA 0.405 4.748 4.340 0.006 0.000 0.281 423 R C -1.711 174.486 176.300 -0.172 0.000 0.991 423 R CA -0.517 55.447 56.100 -0.226 0.000 0.896 423 R CB 1.675 31.835 30.300 -0.233 0.000 1.201 423 R HN 0.267 nan 8.270 nan 0.000 0.457 424 E N 2.733 122.840 120.200 -0.155 0.000 2.366 424 E HA 0.575 4.928 4.350 0.006 0.000 0.278 424 E C -1.805 174.759 176.600 -0.060 0.000 0.923 424 E CA -0.984 55.350 56.400 -0.111 0.000 0.761 424 E CB 2.275 31.896 29.700 -0.132 0.000 1.231 424 E HN 0.405 nan 8.360 nan 0.000 0.443 425 V N -0.434 119.447 119.914 -0.055 0.000 2.655 425 V HA 0.841 4.965 4.120 0.006 0.000 0.301 425 V C -0.327 175.676 176.094 -0.152 0.000 1.082 425 V CA 0.019 62.286 62.300 -0.055 0.000 0.899 425 V CB 0.675 32.516 31.823 0.030 0.000 1.014 425 V HN 0.920 nan 8.190 nan 0.000 0.429 426 T N 2.083 116.559 114.554 -0.131 0.000 2.902 426 T HA 0.730 5.084 4.350 0.006 0.000 0.283 426 T C -0.142 174.447 174.700 -0.184 0.000 1.009 426 T CA -0.778 61.227 62.100 -0.157 0.000 1.051 426 T CB 1.667 70.485 68.868 -0.082 0.000 0.999 426 T HN 1.105 nan 8.240 nan 0.000 0.474 427 V N 3.370 123.162 119.914 -0.203 0.000 2.247 427 V HA 0.514 4.638 4.120 0.006 0.000 0.262 427 V C 1.071 177.152 176.094 -0.022 0.000 1.096 427 V CA -1.090 61.117 62.300 -0.154 0.000 0.895 427 V CB -0.658 31.068 31.823 -0.161 0.000 1.141 427 V HN 1.206 nan 8.190 nan 0.000 0.478 428 K N 2.116 122.514 120.400 -0.003 0.000 2.559 428 K HA 0.385 4.708 4.320 0.006 0.000 0.279 428 K C 1.518 178.146 176.600 0.047 0.000 0.967 428 K CA 0.690 56.990 56.287 0.022 0.000 1.000 428 K CB -0.382 32.133 32.500 0.025 0.000 0.890 428 K HN 1.829 nan 8.250 nan 0.000 0.501 429 G N -1.271 107.559 108.800 0.050 0.000 2.213 429 G HA2 -0.096 3.867 3.960 0.006 0.000 0.226 429 G HA3 -0.096 3.867 3.960 0.006 0.000 0.226 429 G C 0.142 175.088 174.900 0.076 0.000 0.992 429 G CA 0.210 45.352 45.100 0.070 0.000 0.632 429 G HN 1.440 nan 8.290 nan 0.000 0.511 430 I N 0.544 121.161 120.570 0.079 0.000 2.647 430 I HA 0.711 4.885 4.170 0.006 0.000 0.295 430 I C -1.300 174.882 176.117 0.108 0.000 1.078 430 I CA -1.048 60.325 61.300 0.121 0.000 1.048 430 I CB 1.876 39.963 38.000 0.145 0.000 1.239 430 I HN 0.206 nan 8.210 nan 0.000 0.421 431 D N 2.586 123.060 120.400 0.123 0.000 2.421 431 D HA 0.676 5.320 4.640 0.006 0.000 0.254 431 D C 0.874 177.204 176.300 0.049 0.000 1.238 431 D CA 0.026 54.052 54.000 0.043 0.000 0.919 431 D CB 1.886 42.661 40.800 -0.041 0.000 1.152 431 D HN 0.623 nan 8.370 nan 0.000 0.552 432 A N 2.358 125.251 122.820 0.122 0.000 1.915 432 A HA -0.253 4.071 4.320 0.006 0.000 0.220 432 A C 2.050 179.659 177.584 0.042 0.000 1.198 432 A CA 2.403 54.538 52.037 0.164 0.000 0.647 432 A CB -0.763 18.315 19.000 0.131 0.000 0.825 432 A HN 0.610 nan 8.150 nan 0.000 0.456 433 S N -0.209 115.480 115.700 -0.018 0.000 2.461 433 S HA -0.206 4.268 4.470 0.006 0.000 0.246 433 S C 1.262 175.772 174.600 -0.150 0.000 1.007 433 S CA 1.483 59.648 58.200 -0.058 0.000 0.976 433 S CB -0.484 62.685 63.200 -0.052 0.000 0.763 433 S HN 0.633 nan 8.310 nan 0.000 0.508 434 D N -0.154 120.062 120.400 -0.305 0.000 2.333 434 D HA 0.131 4.774 4.640 0.006 0.000 0.208 434 D C -0.339 175.546 176.300 -0.691 0.000 0.984 434 D CA 0.590 54.262 54.000 -0.546 0.000 0.873 434 D CB 0.243 40.584 40.800 -0.766 0.000 0.935 434 D HN 0.441 nan 8.370 nan 0.000 0.521 435 Y N 0.362 120.618 120.300 -0.073 0.000 2.567 435 Y HA 0.358 4.911 4.550 0.006 0.000 0.333 435 Y C 0.342 176.167 175.900 -0.125 0.000 1.106 435 Y CA -1.118 56.915 58.100 -0.112 0.000 1.157 435 Y CB 1.094 39.505 38.460 -0.083 0.000 1.277 435 Y HN -0.278 nan 8.280 nan 0.000 0.490 436 Q N -0.134 119.633 119.800 -0.054 0.000 2.289 436 Q HA 0.606 4.949 4.340 0.006 0.000 0.270 436 Q C -1.780 174.178 176.000 -0.070 0.000 1.038 436 Q CA -0.848 54.901 55.803 -0.090 0.000 0.812 436 Q CB 2.004 30.638 28.738 -0.174 0.000 1.300 436 Q HN 0.642 nan 8.270 nan 0.000 0.427 437 T N 2.693 117.274 114.554 0.045 0.000 2.795 437 T HA 0.555 4.909 4.350 0.006 0.000 0.282 437 T C -0.596 174.212 174.700 0.179 0.000 0.980 437 T CA -0.533 61.624 62.100 0.095 0.000 1.012 437 T CB 1.334 70.286 68.868 0.140 0.000 0.936 437 T HN 0.611 nan 8.240 nan 0.000 0.457 438 V N 2.478 122.533 119.914 0.234 0.000 3.007 438 V HA 0.694 4.818 4.120 0.006 0.000 0.311 438 V C -1.492 174.782 176.094 0.299 0.000 1.120 438 V CA -0.889 61.570 62.300 0.264 0.000 0.980 438 V CB 2.266 34.246 31.823 0.263 0.000 1.033 438 V HN 0.876 nan 8.190 nan 0.000 0.429 439 Q N 4.049 123.977 119.800 0.214 0.000 2.320 439 Q HA 0.573 4.917 4.340 0.006 0.000 0.268 439 Q C -0.961 174.971 176.000 -0.114 0.000 1.023 439 Q CA -0.667 55.105 55.803 -0.050 0.000 0.744 439 Q CB 1.646 30.256 28.738 -0.214 0.000 1.246 439 Q HN 0.942 nan 8.270 nan 0.000 0.462 440 I N -0.462 120.004 120.570 -0.174 0.000 3.204 440 I HA 0.664 4.837 4.170 0.006 0.000 0.313 440 I C -1.025 174.898 176.117 -0.325 0.000 1.082 440 I CA -0.700 60.560 61.300 -0.066 0.000 1.033 440 I CB 1.055 39.064 38.000 0.014 0.000 1.304 440 I HN 0.389 nan 8.210 nan 0.000 0.536 441 F N 2.140 122.055 119.950 -0.058 0.000 2.716 441 F HA 0.425 4.955 4.527 0.005 0.000 0.354 441 F C -0.830 174.911 175.800 -0.098 0.000 1.168 441 F CA -0.511 57.414 58.000 -0.126 0.000 1.045 441 F CB 1.183 40.130 39.000 -0.089 0.000 1.311 441 F HN 0.451 nan 8.300 nan 0.000 0.477 442 Y N 2.367 122.659 120.300 -0.013 0.000 2.376 442 Y HA 0.891 5.444 4.550 0.005 0.000 0.325 442 Y C -3.048 172.913 175.900 0.102 0.000 1.199 442 Y CA -3.829 54.285 58.100 0.023 0.000 1.206 442 Y CB 0.475 38.836 38.460 -0.166 0.000 1.229 442 Y HN 0.193 nan 8.280 nan 0.000 0.480 443 P HA 0.228 nan 4.420 nan 0.000 0.286 443 P C -0.613 176.828 177.300 0.235 0.000 1.261 443 P CA -0.565 62.617 63.100 0.136 0.000 0.821 443 P CB 1.933 33.712 31.700 0.131 0.000 1.013 444 S N 1.348 117.131 115.700 0.139 0.000 2.713 444 S HA 0.241 4.715 4.470 0.006 0.000 0.277 444 S C 1.339 175.998 174.600 0.098 0.000 1.168 444 S CA -0.496 57.799 58.200 0.159 0.000 0.994 444 S CB 0.352 63.608 63.200 0.092 0.000 1.054 444 S HN 0.341 nan 8.310 nan 0.000 0.555 445 K N -0.004 120.442 120.400 0.078 0.000 2.362 445 K HA -0.144 4.180 4.320 0.006 0.000 0.202 445 K C 0.494 177.112 176.600 0.031 0.000 1.045 445 K CA 1.806 58.123 56.287 0.050 0.000 0.936 445 K CB -0.171 32.352 32.500 0.039 0.000 0.747 445 K HN 0.715 nan 8.250 nan 0.000 0.467 446 D N -2.726 117.686 120.400 0.020 0.000 2.469 446 D HA 0.086 4.730 4.640 0.006 0.000 0.213 446 D C 0.990 177.296 176.300 0.009 0.000 1.135 446 D CA 0.659 54.662 54.000 0.005 0.000 0.834 446 D CB 0.736 41.524 40.800 -0.019 0.000 1.009 446 D HN 0.184 nan 8.370 nan 0.000 0.507 447 G N -0.031 108.784 108.800 0.025 0.000 2.313 447 G HA2 -0.247 3.716 3.960 0.006 0.000 0.215 447 G HA3 -0.247 3.716 3.960 0.006 0.000 0.215 447 G C 0.492 175.408 174.900 0.026 0.000 1.023 447 G CA 0.016 45.132 45.100 0.026 0.000 0.626 447 G HN 0.378 nan 8.290 nan 0.000 0.503 448 T N 3.274 117.839 114.554 0.017 0.000 2.778 448 T HA 0.377 4.730 4.350 0.006 0.000 0.282 448 T C 0.490 175.216 174.700 0.042 0.000 0.983 448 T CA 0.708 62.827 62.100 0.032 0.000 1.193 448 T CB 0.665 69.535 68.868 0.003 0.000 0.938 448 T HN 0.349 nan 8.240 nan 0.000 0.523 449 K N 4.847 125.283 120.400 0.060 0.000 2.378 449 K HA 0.227 4.551 4.320 0.006 0.000 0.288 449 K C 0.400 177.068 176.600 0.113 0.000 1.057 449 K CA -0.403 55.910 56.287 0.044 0.000 0.971 449 K CB -0.141 32.380 32.500 0.035 0.000 0.975 449 K HN 0.440 nan 8.250 nan 0.000 0.475 450 I N 5.518 125.977 120.570 -0.185 0.000 2.359 450 I HA 0.365 4.538 4.170 0.006 0.000 0.294 450 I C -2.305 173.570 176.117 -0.402 0.000 0.987 450 I CA -3.255 57.928 61.300 -0.196 0.000 1.225 450 I CB 1.383 39.103 38.000 -0.466 0.000 1.366 450 I HN 0.350 nan 8.210 nan 0.000 0.466 451 P HA 0.482 nan 4.420 nan 0.000 0.276 451 P C -0.758 176.335 177.300 -0.345 0.000 1.244 451 P CA -0.629 62.109 63.100 -0.604 0.000 0.801 451 P CB 1.031 32.383 31.700 -0.581 0.000 1.006 452 M N 1.458 120.788 119.600 -0.450 0.000 2.346 452 M HA 0.436 4.920 4.480 0.006 0.000 0.287 452 M C -2.170 173.975 176.300 -0.258 0.000 1.100 452 M CA -0.424 54.772 55.300 -0.174 0.000 0.950 452 M CB 1.011 33.657 32.600 0.075 0.000 1.815 452 M HN 0.037 nan 8.290 nan 0.000 0.497 453 F N 4.515 124.473 119.950 0.013 0.000 2.397 453 F HA 0.730 5.260 4.527 0.006 0.000 0.331 453 F C -0.232 175.513 175.800 -0.092 0.000 1.090 453 F CA -0.605 57.396 58.000 0.001 0.000 1.065 453 F CB 1.585 40.673 39.000 0.146 0.000 1.184 453 F HN 0.420 nan 8.300 nan 0.000 0.499 454 I N 3.557 124.197 120.570 0.117 0.000 2.500 454 I HA 0.326 4.499 4.170 0.006 0.000 0.286 454 I C -1.310 174.814 176.117 0.012 0.000 1.063 454 I CA -0.812 60.483 61.300 -0.009 0.000 1.062 454 I CB 1.777 39.727 38.000 -0.083 0.000 1.223 454 I HN 0.124 nan 8.210 nan 0.000 0.435 455 V N 5.810 125.668 119.914 -0.093 0.000 2.435 455 V HA 0.557 4.681 4.120 0.006 0.000 0.290 455 V C -0.455 175.693 176.094 0.091 0.000 1.030 455 V CA -0.378 61.873 62.300 -0.082 0.000 0.881 455 V CB 1.251 32.906 31.823 -0.279 0.000 0.983 455 V HN 0.951 nan 8.190 nan 0.000 0.445 456 H N 1.676 120.765 119.070 0.033 0.000 2.960 456 H HA 0.656 5.215 4.556 0.006 0.000 0.323 456 H C -0.655 174.762 175.328 0.148 0.000 1.326 456 H CA -1.201 54.887 56.048 0.067 0.000 1.124 456 H CB 1.415 31.223 29.762 0.077 0.000 1.853 456 H HN 0.479 nan 8.280 nan 0.000 0.536 457 K N 1.080 121.575 120.400 0.158 0.000 2.202 457 K HA 0.197 4.520 4.320 0.006 0.000 0.264 457 K C -0.597 175.969 176.600 -0.057 0.000 1.010 457 K CA -0.675 55.649 56.287 0.062 0.000 0.940 457 K CB 0.636 33.158 32.500 0.037 0.000 0.983 457 K HN 0.596 nan 8.250 nan 0.000 0.475 458 K N 1.354 121.679 120.400 -0.126 0.000 2.350 458 K HA 0.111 4.435 4.320 0.006 0.000 0.279 458 K C 0.606 177.195 176.600 -0.018 0.000 1.027 458 K CA 0.755 56.992 56.287 -0.083 0.000 0.969 458 K CB 0.872 33.313 32.500 -0.098 0.000 0.954 458 K HN 0.963 nan 8.250 nan 0.000 0.474 459 G N 2.411 111.235 108.800 0.040 0.000 2.234 459 G HA2 -0.260 3.704 3.960 0.006 0.000 0.235 459 G HA3 -0.260 3.704 3.960 0.006 0.000 0.235 459 G C 0.269 175.199 174.900 0.050 0.000 0.997 459 G CA 0.095 45.215 45.100 0.035 0.000 0.623 459 G HN 0.721 nan 8.290 nan 0.000 0.514 460 I N 0.529 121.143 120.570 0.073 0.000 2.710 460 I HA 0.549 4.723 4.170 0.006 0.000 0.286 460 I C 0.410 176.546 176.117 0.032 0.000 1.181 460 I CA -0.442 60.872 61.300 0.023 0.000 1.430 460 I CB 0.486 38.410 38.000 -0.127 0.000 1.367 460 I HN 0.266 nan 8.210 nan 0.000 0.577 461 K N 7.014 127.469 120.400 0.092 0.000 2.248 461 K HA 0.464 4.788 4.320 0.006 0.000 0.281 461 K C -0.838 175.838 176.600 0.126 0.000 1.054 461 K CA -0.577 55.752 56.287 0.071 0.000 0.903 461 K CB 1.023 33.555 32.500 0.053 0.000 1.077 461 K HN 0.611 nan 8.250 nan 0.000 0.474 462 L N 4.823 126.025 121.223 -0.035 0.000 2.617 462 L HA 0.010 4.353 4.340 0.006 0.000 0.282 462 L C -0.130 176.682 176.870 -0.096 0.000 1.174 462 L CA 0.210 54.971 54.840 -0.132 0.000 1.016 462 L CB -0.595 41.240 42.059 -0.373 0.000 1.337 462 L HN 0.909 nan 8.230 nan 0.000 0.460 463 D N 0.800 121.153 120.400 -0.078 0.000 2.692 463 D HA 0.097 4.740 4.640 0.006 0.000 0.290 463 D C 1.010 177.209 176.300 -0.169 0.000 1.455 463 D CA -0.054 53.872 54.000 -0.124 0.000 0.796 463 D CB 0.470 41.205 40.800 -0.108 0.000 1.131 463 D HN 0.501 nan 8.370 nan 0.000 0.467 464 G N 1.082 109.793 108.800 -0.149 0.000 2.337 464 G HA2 -0.361 3.603 3.960 0.006 0.000 0.290 464 G HA3 -0.361 3.603 3.960 0.006 0.000 0.290 464 G C 0.907 175.697 174.900 -0.184 0.000 1.003 464 G CA 1.057 46.090 45.100 -0.112 0.000 0.825 464 G HN 0.855 nan 8.290 nan 0.000 0.509 465 S N -0.715 114.727 115.700 -0.430 0.000 2.540 465 S HA 0.267 4.740 4.470 0.006 0.000 0.218 465 S C 0.680 175.054 174.600 -0.377 0.000 0.977 465 S CA -0.141 57.825 58.200 -0.390 0.000 0.918 465 S CB 0.199 63.174 63.200 -0.374 0.000 0.806 465 S HN 0.624 nan 8.310 nan 0.000 0.496 466 H N 1.917 121.016 119.070 0.049 0.000 2.533 466 H HA 0.481 5.040 4.556 0.006 0.000 0.343 466 H C -3.147 172.247 175.328 0.110 0.000 1.160 466 H CA -2.522 53.568 56.048 0.069 0.000 1.218 466 H CB 0.867 30.679 29.762 0.083 0.000 1.566 466 H HN 0.140 nan 8.280 nan 0.000 0.522 467 P HA 0.274 nan 4.420 nan 0.000 0.288 467 P C -0.761 176.787 177.300 0.413 0.000 1.363 467 P CA -0.430 62.843 63.100 0.287 0.000 0.837 467 P CB 0.462 32.324 31.700 0.271 0.000 0.981 468 A N 4.215 127.267 122.820 0.386 0.000 2.301 468 A HA 0.581 4.905 4.320 0.006 0.000 0.312 468 A C -1.023 176.826 177.584 0.443 0.000 1.182 468 A CA -0.603 51.682 52.037 0.413 0.000 0.826 468 A CB 0.212 19.369 19.000 0.262 0.000 1.134 468 A HN 0.470 nan 8.150 nan 0.000 0.501 469 F N 3.146 123.275 119.950 0.298 0.000 2.361 469 F HA 0.515 5.046 4.527 0.006 0.000 0.364 469 F C -0.486 175.399 175.800 0.141 0.000 1.120 469 F CA -0.785 57.283 58.000 0.112 0.000 1.102 469 F CB 1.122 40.051 39.000 -0.117 0.000 1.183 469 F HN 0.484 nan 8.300 nan 0.000 0.476 470 L N 8.290 129.545 121.223 0.052 0.000 2.282 470 L HA 0.440 4.783 4.340 0.006 0.000 0.288 470 L C -1.861 175.146 176.870 0.228 0.000 1.033 470 L CA -0.569 54.352 54.840 0.136 0.000 0.807 470 L CB 0.824 42.882 42.059 -0.003 0.000 1.209 470 L HN 0.596 nan 8.230 nan 0.000 0.423 471 Y N 4.183 124.641 120.300 0.264 0.000 2.468 471 Y HA 0.841 5.395 4.550 0.006 0.000 0.342 471 Y C 0.020 176.113 175.900 0.321 0.000 1.021 471 Y CA -0.045 58.219 58.100 0.275 0.000 1.079 471 Y CB 2.084 40.721 38.460 0.295 0.000 1.226 471 Y HN 0.767 nan 8.280 nan 0.000 0.460 472 G N 2.833 111.270 108.800 -0.606 0.000 2.601 472 G HA2 0.266 4.230 3.960 0.006 0.000 0.291 472 G HA3 0.266 4.230 3.960 0.006 0.000 0.291 472 G C -2.025 172.478 174.900 -0.661 0.000 1.456 472 G CA -0.401 44.401 45.100 -0.495 0.000 0.804 472 G HN 0.655 nan 8.290 nan 0.000 0.499 473 Y N 0.201 120.233 120.300 -0.446 0.000 3.116 473 Y HA 0.444 4.998 4.550 0.006 0.000 0.220 473 Y C 1.530 177.285 175.900 -0.240 0.000 0.965 473 Y CA 1.590 59.501 58.100 -0.316 0.000 1.476 473 Y CB 0.592 38.970 38.460 -0.136 0.000 1.493 473 Y HN 1.767 nan 8.280 nan 0.000 0.423 474 G N 1.345 110.147 108.800 0.003 0.000 2.460 474 G HA2 0.320 4.284 3.960 0.006 0.000 0.259 474 G HA3 0.320 4.284 3.960 0.006 0.000 0.259 474 G C 0.107 174.923 174.900 -0.139 0.000 0.959 474 G CA 0.623 45.660 45.100 -0.104 0.000 1.330 474 G HN 1.465 nan 8.290 nan 0.000 0.451 475 G N -0.311 108.547 108.800 0.098 0.000 2.337 475 G HA2 0.567 4.530 3.960 0.006 0.000 0.310 475 G HA3 0.567 4.530 3.960 0.006 0.000 0.310 475 G C -0.085 175.027 174.900 0.352 0.000 1.534 475 G CA 0.048 45.185 45.100 0.061 0.000 0.982 475 G HN 1.696 nan 8.290 nan 0.000 0.672 476 F N -0.163 119.834 119.950 0.077 0.000 3.018 476 F HA -0.245 4.286 4.527 0.006 0.000 0.287 476 F C 1.343 177.011 175.800 -0.221 0.000 0.813 476 F CA 1.376 59.340 58.000 -0.059 0.000 1.209 476 F CB -1.557 37.444 39.000 0.003 0.000 1.321 476 F HN 1.429 nan 8.300 nan 0.000 0.477 477 N N -0.559 117.992 118.700 -0.248 0.000 2.815 477 N HA -0.231 4.512 4.740 0.006 0.000 0.247 477 N C -0.075 175.425 175.510 -0.018 0.000 1.030 477 N CA 1.257 54.178 53.050 -0.214 0.000 0.881 477 N CB -0.548 37.706 38.487 -0.388 0.000 1.134 477 N HN 0.447 nan 8.380 nan 0.000 0.582 478 I N 0.643 121.247 120.570 0.057 0.000 2.634 478 I HA 0.065 4.239 4.170 0.006 0.000 0.284 478 I C 0.392 176.525 176.117 0.026 0.000 1.124 478 I CA 0.352 61.645 61.300 -0.011 0.000 1.417 478 I CB 0.996 38.900 38.000 -0.161 0.000 1.396 478 I HN 0.091 nan 8.210 nan 0.000 0.571 479 S N 6.527 122.222 115.700 -0.009 0.000 2.498 479 S HA 0.496 4.969 4.470 0.006 0.000 0.317 479 S C 0.061 174.673 174.600 0.020 0.000 1.090 479 S CA -0.611 57.599 58.200 0.016 0.000 1.089 479 S CB 1.523 64.709 63.200 -0.023 0.000 0.997 479 S HN 0.296 nan 8.310 nan 0.000 0.470 480 I N 4.536 125.153 120.570 0.079 0.000 2.243 480 I HA 0.136 4.309 4.170 0.006 0.000 0.297 480 I C 1.110 177.308 176.117 0.136 0.000 1.161 480 I CA -0.140 61.234 61.300 0.124 0.000 1.298 480 I CB -1.141 37.010 38.000 0.251 0.000 1.475 480 I HN 0.574 nan 8.210 nan 0.000 0.561 481 T N 3.578 118.168 114.554 0.060 0.000 2.881 481 T HA 0.450 4.803 4.350 0.006 0.000 0.278 481 T C -2.511 172.121 174.700 -0.113 0.000 0.982 481 T CA -1.981 60.138 62.100 0.032 0.000 0.989 481 T CB 0.815 69.680 68.868 -0.004 0.000 1.058 481 T HN 0.197 nan 8.240 nan 0.000 0.529 482 P HA 0.258 nan 4.420 nan 0.000 0.260 482 P C -0.633 176.266 177.300 -0.668 0.000 1.185 482 P CA 0.194 62.740 63.100 -0.924 0.000 0.763 482 P CB 0.117 31.190 31.700 -1.045 0.000 0.776 483 N N 2.084 120.403 118.700 -0.635 0.000 2.509 483 N HA 0.363 5.106 4.740 0.006 0.000 0.280 483 N C -1.881 173.550 175.510 -0.132 0.000 1.306 483 N CA -0.804 52.082 53.050 -0.274 0.000 0.782 483 N CB 0.925 39.339 38.487 -0.121 0.000 1.493 483 N HN 0.163 nan 8.380 nan 0.000 0.498 484 Y N 0.527 120.758 120.300 -0.114 0.000 2.353 484 Y HA 0.481 5.034 4.550 0.006 0.000 0.340 484 Y C -0.467 175.463 175.900 0.050 0.000 0.972 484 Y CA -0.253 57.834 58.100 -0.021 0.000 1.157 484 Y CB 0.810 39.258 38.460 -0.019 0.000 1.157 484 Y HN 0.348 nan 8.280 nan 0.000 0.495 485 S N 5.719 121.194 115.700 -0.375 0.000 2.718 485 S HA 0.299 4.772 4.470 0.006 0.000 0.294 485 S C 0.321 174.684 174.600 -0.394 0.000 1.157 485 S CA -0.634 57.424 58.200 -0.238 0.000 1.121 485 S CB 0.674 63.803 63.200 -0.119 0.000 1.015 485 S HN 0.672 nan 8.310 nan 0.000 0.479 486 V N 4.730 124.484 119.914 -0.268 0.000 2.343 486 V HA -0.131 3.992 4.120 0.006 0.000 0.247 486 V C 2.797 178.814 176.094 -0.128 0.000 1.051 486 V CA 2.572 64.774 62.300 -0.163 0.000 1.036 486 V CB -0.742 31.196 31.823 0.191 0.000 0.654 486 V HN 1.002 nan 8.190 nan 0.000 0.451 487 S N 0.077 115.738 115.700 -0.065 0.000 2.440 487 S HA -0.233 4.240 4.470 0.006 0.000 0.238 487 S C 1.955 176.422 174.600 -0.221 0.000 1.010 487 S CA 1.514 59.672 58.200 -0.071 0.000 0.972 487 S CB -0.388 62.851 63.200 0.065 0.000 0.774 487 S HN 0.653 nan 8.310 nan 0.000 0.501 488 R N -0.291 120.091 120.500 -0.196 0.000 2.237 488 R HA 0.369 4.713 4.340 0.006 0.000 0.195 488 R C 2.143 178.357 176.300 -0.144 0.000 0.956 488 R CA 0.352 56.328 56.100 -0.207 0.000 1.029 488 R CB -0.244 29.948 30.300 -0.181 0.000 0.972 488 R HN 0.401 nan 8.270 nan 0.000 0.493 489 L N 0.637 121.729 121.223 -0.218 0.000 2.023 489 L HA -0.080 4.263 4.340 0.006 0.000 0.205 489 L C 2.303 179.046 176.870 -0.211 0.000 1.073 489 L CA 1.135 55.805 54.840 -0.284 0.000 0.745 489 L CB -0.273 41.579 42.059 -0.344 0.000 0.900 489 L HN 0.096 nan 8.230 nan 0.000 0.435 490 I N -0.562 119.917 120.570 -0.152 0.000 2.181 490 I HA -0.415 3.758 4.170 0.006 0.000 0.247 490 I C 2.479 178.583 176.117 -0.023 0.000 1.081 490 I CA 1.726 62.992 61.300 -0.056 0.000 1.340 490 I CB -0.327 37.558 38.000 -0.191 0.000 1.036 490 I HN 0.206 nan 8.210 nan 0.000 0.417 491 F N 1.192 121.016 119.950 -0.209 0.000 2.095 491 F HA -0.235 4.295 4.527 0.006 0.000 0.298 491 F C 2.318 178.084 175.800 -0.056 0.000 1.104 491 F CA 1.843 59.774 58.000 -0.115 0.000 1.232 491 F CB -0.515 38.368 39.000 -0.195 0.000 0.987 491 F HN -0.197 nan 8.300 nan 0.000 0.475 492 V N 0.783 120.610 119.914 -0.144 0.000 2.343 492 V HA -0.270 3.853 4.120 0.006 0.000 0.247 492 V C 2.386 178.355 176.094 -0.208 0.000 1.051 492 V CA 2.360 64.531 62.300 -0.215 0.000 1.036 492 V CB -0.876 30.805 31.823 -0.237 0.000 0.654 492 V HN 0.411 nan 8.190 nan 0.000 0.451 493 R N -1.343 119.014 120.500 -0.238 0.000 2.237 493 R HA 0.043 4.387 4.340 0.006 0.000 0.195 493 R C 1.897 177.886 176.300 -0.519 0.000 0.956 493 R CA 0.865 56.798 56.100 -0.277 0.000 1.029 493 R CB -0.076 30.081 30.300 -0.237 0.000 0.972 493 R HN 0.519 nan 8.270 nan 0.000 0.493 494 H N -0.560 118.298 119.070 -0.353 0.000 2.652 494 H HA 0.316 4.875 4.556 0.006 0.000 0.274 494 H C 0.408 175.420 175.328 -0.527 0.000 1.021 494 H CA 0.489 56.132 56.048 -0.675 0.000 1.187 494 H CB 0.817 29.968 29.762 -1.019 0.000 1.505 494 H HN 0.256 nan 8.280 nan 0.000 0.530 495 M N -1.433 118.023 119.600 -0.240 0.000 2.449 495 M HA 0.219 4.702 4.480 0.006 0.000 0.410 495 M C 0.853 176.997 176.300 -0.259 0.000 1.079 495 M CA 0.033 55.229 55.300 -0.173 0.000 0.922 495 M CB 1.833 34.360 32.600 -0.121 0.000 1.676 495 M HN 0.121 nan 8.290 nan 0.000 0.572 496 G N 1.951 110.600 108.800 -0.251 0.000 2.395 496 G HA2 -0.189 3.774 3.960 0.006 0.000 0.300 496 G HA3 -0.189 3.774 3.960 0.006 0.000 0.300 496 G C 0.235 175.015 174.900 -0.199 0.000 0.998 496 G CA 0.284 45.283 45.100 -0.168 0.000 1.046 496 G HN 0.631 nan 8.290 nan 0.000 0.513 497 G N -1.950 106.580 108.800 -0.450 0.000 2.488 497 G HA2 0.679 4.642 3.960 0.006 0.000 0.318 497 G HA3 0.679 4.642 3.960 0.006 0.000 0.318 497 G C -0.419 174.468 174.900 -0.023 0.000 1.188 497 G CA -0.329 44.510 45.100 -0.434 0.000 0.944 497 G HN 0.882 nan 8.290 nan 0.000 0.495 498 V N 1.034 121.089 119.914 0.235 0.000 2.378 498 V HA 0.329 4.452 4.120 0.006 0.000 0.288 498 V C 0.093 176.374 176.094 0.311 0.000 1.016 498 V CA -0.592 61.847 62.300 0.233 0.000 0.840 498 V CB 1.171 33.114 31.823 0.201 0.000 0.994 498 V HN 0.642 nan 8.190 nan 0.000 0.431 499 L N 4.889 126.239 121.223 0.211 0.000 2.326 499 L HA 0.831 5.175 4.340 0.006 0.000 0.278 499 L C 0.181 177.095 176.870 0.073 0.000 1.092 499 L CA 0.048 54.993 54.840 0.175 0.000 0.810 499 L CB 1.179 43.257 42.059 0.031 0.000 1.153 499 L HN 0.793 nan 8.230 nan 0.000 0.439 500 A N 4.838 127.742 122.820 0.139 0.000 2.465 500 A HA 0.664 4.987 4.320 0.006 0.000 0.292 500 A C -1.604 176.110 177.584 0.216 0.000 1.041 500 A CA -0.456 51.639 52.037 0.096 0.000 0.718 500 A CB 1.715 20.738 19.000 0.038 0.000 1.266 500 A HN 0.418 nan 8.150 nan 0.000 0.403 501 V N 1.569 121.631 119.914 0.247 0.000 2.487 501 V HA 0.756 4.879 4.120 0.006 0.000 0.298 501 V C 0.407 176.696 176.094 0.326 0.000 1.028 501 V CA -0.249 62.282 62.300 0.384 0.000 0.860 501 V CB 1.579 33.692 31.823 0.483 0.000 0.991 501 V HN 1.373 nan 8.190 nan 0.000 0.427 502 A N 3.519 126.550 122.820 0.352 0.000 2.304 502 A HA 0.674 4.997 4.320 0.006 0.000 0.323 502 A C -0.065 177.696 177.584 0.296 0.000 1.195 502 A CA -0.650 51.581 52.037 0.325 0.000 0.826 502 A CB 0.243 19.489 19.000 0.411 0.000 1.184 502 A HN 0.884 nan 8.150 nan 0.000 0.496 503 N N 2.654 121.498 118.700 0.240 0.000 3.322 503 N HA 0.257 5.000 4.740 0.006 0.000 0.290 503 N C 0.333 176.089 175.510 0.410 0.000 1.297 503 N CA -0.322 52.886 53.050 0.262 0.000 1.167 503 N CB 0.249 38.811 38.487 0.126 0.000 1.434 503 N HN 0.758 nan 8.380 nan 0.000 0.526 504 I N -2.347 118.388 120.570 0.275 0.000 3.060 504 I HA 0.174 4.347 4.170 0.006 0.000 0.285 504 I C 0.619 176.655 176.117 -0.134 0.000 1.190 504 I CA -0.611 60.757 61.300 0.114 0.000 1.363 504 I CB 0.695 38.723 38.000 0.046 0.000 1.396 504 I HN 0.168 nan 8.210 nan 0.000 0.607 505 R N 1.752 121.898 120.500 -0.590 0.000 2.861 505 R HA 0.226 4.569 4.340 0.006 0.000 0.268 505 R C 1.150 177.143 176.300 -0.512 0.000 1.027 505 R CA 1.053 56.547 56.100 -1.011 0.000 1.163 505 R CB -0.077 29.682 30.300 -0.902 0.000 1.060 505 R HN 1.090 nan 8.270 nan 0.000 0.483 506 G N -0.162 108.398 108.800 -0.399 0.000 2.279 506 G HA2 -0.225 3.738 3.960 0.006 0.000 0.223 506 G HA3 -0.225 3.738 3.960 0.006 0.000 0.223 506 G C 0.481 175.438 174.900 0.094 0.000 1.015 506 G CA -0.206 44.788 45.100 -0.175 0.000 0.621 506 G HN 0.894 nan 8.290 nan 0.000 0.506 507 G N -0.607 108.288 108.800 0.159 0.000 2.535 507 G HA2 0.577 4.541 3.960 0.006 0.000 0.282 507 G HA3 0.577 4.541 3.960 0.006 0.000 0.282 507 G C 1.021 176.142 174.900 0.368 0.000 1.350 507 G CA 0.222 45.494 45.100 0.287 0.000 1.039 507 G HN 1.300 nan 8.290 nan 0.000 0.509 508 G N -1.569 107.369 108.800 0.231 0.000 3.324 508 G HA2 0.250 4.213 3.960 0.006 0.000 0.251 508 G HA3 0.250 4.213 3.960 0.006 0.000 0.251 508 G C 0.935 175.852 174.900 0.029 0.000 1.072 508 G CA 0.151 45.352 45.100 0.169 0.000 0.787 508 G HN 0.520 nan 8.290 nan 0.000 0.537 509 E N 0.025 120.148 120.200 -0.128 0.000 2.233 509 E HA -0.144 4.209 4.350 0.006 0.000 0.199 509 E C -0.002 176.113 176.600 -0.809 0.000 1.004 509 E CA 1.063 57.139 56.400 -0.540 0.000 0.819 509 E CB -0.239 28.973 29.700 -0.813 0.000 0.738 509 E HN 0.696 nan 8.360 nan 0.000 0.478 510 Y N -0.508 119.614 120.300 -0.296 0.000 2.517 510 Y HA 0.371 4.925 4.550 0.006 0.000 0.330 510 Y C 0.722 176.679 175.900 0.095 0.000 0.917 510 Y CA -0.649 57.339 58.100 -0.187 0.000 1.131 510 Y CB 0.816 39.006 38.460 -0.450 0.000 1.175 510 Y HN 0.095 nan 8.280 nan 0.000 0.620 511 G N 1.070 110.026 108.800 0.260 0.000 2.750 511 G HA2 -0.386 3.577 3.960 0.006 0.000 0.228 511 G HA3 -0.386 3.577 3.960 0.006 0.000 0.228 511 G C 0.435 175.524 174.900 0.316 0.000 1.367 511 G CA 0.325 45.609 45.100 0.307 0.000 0.871 511 G HN 0.512 nan 8.290 nan 0.000 0.560 512 E N -0.728 119.620 120.200 0.246 0.000 2.418 512 E HA -0.007 4.346 4.350 0.006 0.000 0.197 512 E C 2.592 179.312 176.600 0.201 0.000 1.026 512 E CA 2.213 58.756 56.400 0.239 0.000 0.862 512 E CB -0.225 29.553 29.700 0.130 0.000 0.799 512 E HN 0.935 nan 8.360 nan 0.000 0.518 513 T N -2.620 112.051 114.554 0.195 0.000 3.055 513 T HA -0.113 4.241 4.350 0.006 0.000 0.265 513 T C 1.582 176.420 174.700 0.229 0.000 1.111 513 T CA 0.434 62.627 62.100 0.155 0.000 1.118 513 T CB -0.474 68.479 68.868 0.142 0.000 0.909 513 T HN 0.419 nan 8.240 nan 0.000 0.501 514 W N 1.056 122.416 121.300 0.100 0.000 2.539 514 W HA 0.010 4.674 4.660 0.007 0.000 0.281 514 W C 2.228 178.787 176.519 0.066 0.000 1.220 514 W CA 0.811 58.216 57.345 0.100 0.000 1.332 514 W CB -0.269 29.288 29.460 0.161 0.000 1.095 514 W HN 0.487 nan 8.180 nan 0.000 0.571 515 H N 0.891 120.059 119.070 0.164 0.000 2.293 515 H HA -0.129 4.430 4.556 0.006 0.000 0.300 515 H C 1.733 176.995 175.328 -0.110 0.000 1.082 515 H CA 1.590 57.643 56.048 0.009 0.000 1.308 515 H CB -0.082 29.702 29.762 0.037 0.000 1.375 515 H HN 0.022 nan 8.280 nan 0.000 0.495 516 K N 0.017 120.254 120.400 -0.272 0.000 2.504 516 K HA -0.017 4.306 4.320 0.006 0.000 0.195 516 K C 1.765 178.178 176.600 -0.312 0.000 1.036 516 K CA 0.533 56.592 56.287 -0.381 0.000 0.984 516 K CB 0.209 32.578 32.500 -0.218 0.000 0.788 516 K HN 0.341 nan 8.250 nan 0.000 0.488 517 G N 0.314 108.949 108.800 -0.274 0.000 3.141 517 G HA2 0.030 3.994 3.960 0.006 0.000 0.218 517 G HA3 0.030 3.994 3.960 0.006 0.000 0.218 517 G C 0.620 175.291 174.900 -0.382 0.000 1.170 517 G CA 0.083 45.002 45.100 -0.301 0.000 0.769 517 G HN 0.301 nan 8.290 nan 0.000 0.546 518 G N 0.525 109.080 108.800 -0.409 0.000 4.867 518 G HA2 0.487 4.450 3.960 0.006 0.000 0.258 518 G HA3 0.487 4.450 3.960 0.006 0.000 0.258 518 G C -0.266 174.370 174.900 -0.441 0.000 0.999 518 G CA -0.241 44.597 45.100 -0.437 0.000 0.797 518 G HN 0.577 nan 8.290 nan 0.000 0.505 519 I N -3.159 117.145 120.570 -0.445 0.000 3.006 519 I HA 0.699 4.872 4.170 0.006 0.000 0.306 519 I C 0.575 176.434 176.117 -0.430 0.000 1.250 519 I CA -1.191 59.846 61.300 -0.438 0.000 0.996 519 I CB 1.561 39.237 38.000 -0.541 0.000 1.261 519 I HN 0.114 nan 8.210 nan 0.000 0.442 520 L N 1.636 122.641 121.223 -0.363 0.000 5.895 520 L HA -0.360 3.983 4.340 0.006 0.000 0.053 520 L C 1.756 178.002 176.870 -1.039 0.000 2.741 520 L CA 1.326 55.821 54.840 -0.575 0.000 1.500 520 L CB -1.855 39.845 42.059 -0.599 0.000 2.928 520 L HN 0.956 nan 8.230 nan 0.000 1.023 521 A N -0.318 121.648 122.820 -1.423 0.000 2.209 521 A HA 0.014 4.337 4.320 0.006 0.000 0.212 521 A C 1.179 178.370 177.584 -0.654 0.000 1.158 521 A CA 1.688 52.886 52.037 -1.399 0.000 0.742 521 A CB -0.542 17.848 19.000 -1.018 0.000 0.790 521 A HN 0.629 nan 8.150 nan 0.000 0.472 522 N N -0.891 117.500 118.700 -0.515 0.000 2.235 522 N HA 0.054 4.798 4.740 0.006 0.000 0.231 522 N C 0.990 176.276 175.510 -0.374 0.000 1.177 522 N CA 0.193 53.023 53.050 -0.366 0.000 0.874 522 N CB 0.666 38.955 38.487 -0.330 0.000 1.097 522 N HN 0.490 nan 8.380 nan 0.000 0.518 523 K N 1.616 121.785 120.400 -0.385 0.000 2.103 523 K HA -0.184 4.140 4.320 0.006 0.000 0.207 523 K C 1.877 178.112 176.600 -0.609 0.000 1.048 523 K CA 1.394 57.397 56.287 -0.474 0.000 0.930 523 K CB 0.074 32.338 32.500 -0.394 0.000 0.716 523 K HN -0.038 nan 8.250 nan 0.000 0.444 524 Q N 0.577 120.171 119.800 -0.342 0.000 2.443 524 Q HA -0.113 4.231 4.340 0.006 0.000 0.213 524 Q C 1.182 177.060 176.000 -0.203 0.000 0.982 524 Q CA 1.445 57.174 55.803 -0.123 0.000 0.894 524 Q CB -0.333 28.431 28.738 0.043 0.000 0.947 524 Q HN 0.360 nan 8.270 nan 0.000 0.480 525 N N -0.842 117.676 118.700 -0.303 0.000 2.309 525 N HA -0.107 4.637 4.740 0.006 0.000 0.182 525 N C 1.324 176.654 175.510 -0.300 0.000 1.018 525 N CA 1.373 54.266 53.050 -0.262 0.000 0.876 525 N CB -0.284 38.029 38.487 -0.291 0.000 0.972 525 N HN 0.536 nan 8.380 nan 0.000 0.434 526 C N -0.692 118.311 119.300 -0.496 0.000 2.475 526 C HA 0.120 4.584 4.460 0.006 0.000 0.279 526 C C 2.423 177.234 174.990 -0.299 0.000 1.322 526 C CA -0.348 58.388 59.018 -0.470 0.000 1.734 526 C CB -1.736 25.610 27.740 -0.658 0.000 2.005 526 C HN 0.252 nan 8.230 nan 0.000 0.495 527 F N 2.183 122.074 119.950 -0.099 0.000 2.171 527 F HA -0.115 4.415 4.527 0.005 0.000 0.300 527 F C 2.306 178.144 175.800 0.062 0.000 1.090 527 F CA 1.335 59.329 58.000 -0.010 0.000 1.293 527 F CB -0.520 38.437 39.000 -0.072 0.000 1.013 527 F HN 0.172 nan 8.300 nan 0.000 0.486 528 D N 0.258 120.749 120.400 0.152 0.000 2.117 528 D HA -0.135 4.508 4.640 0.006 0.000 0.198 528 D C 1.722 178.093 176.300 0.119 0.000 0.982 528 D CA 1.197 55.263 54.000 0.109 0.000 0.828 528 D CB -0.484 40.343 40.800 0.046 0.000 0.967 528 D HN 0.185 nan 8.370 nan 0.000 0.464 529 D N -0.475 119.983 120.400 0.097 0.000 2.117 529 D HA -0.120 4.523 4.640 0.006 0.000 0.198 529 D C 1.584 178.058 176.300 0.290 0.000 0.982 529 D CA 0.453 54.552 54.000 0.165 0.000 0.828 529 D CB -0.269 40.558 40.800 0.044 0.000 0.967 529 D HN 0.148 nan 8.370 nan 0.000 0.464 530 F N 0.997 120.992 119.950 0.075 0.000 2.615 530 F HA 0.073 4.604 4.527 0.005 0.000 0.297 530 F C 2.099 177.952 175.800 0.088 0.000 1.124 530 F CA 0.756 58.802 58.000 0.078 0.000 1.451 530 F CB 0.141 39.173 39.000 0.054 0.000 1.103 530 F HN -0.110 nan 8.300 nan 0.000 0.569 531 Q N -1.393 118.474 119.800 0.111 0.000 2.123 531 Q HA -0.124 4.219 4.340 0.006 0.000 0.196 531 Q C 2.307 178.253 176.000 -0.091 0.000 0.958 531 Q CA 1.473 57.279 55.803 0.005 0.000 0.841 531 Q CB -0.394 28.391 28.738 0.078 0.000 0.915 531 Q HN 0.344 nan 8.270 nan 0.000 0.455 532 C N 0.469 119.756 119.300 -0.021 0.000 2.430 532 C HA -0.069 4.395 4.460 0.006 0.000 0.288 532 C C 2.542 177.350 174.990 -0.302 0.000 1.448 532 C CA 0.728 59.723 59.018 -0.038 0.000 1.784 532 C CB -1.123 26.708 27.740 0.152 0.000 1.776 532 C HN 0.545 nan 8.230 nan 0.000 0.547 533 A N 0.157 122.703 122.820 -0.456 0.000 1.903 533 A HA 0.273 4.597 4.320 0.006 0.000 0.213 533 A C 2.346 179.718 177.584 -0.353 0.000 1.185 533 A CA 1.426 53.041 52.037 -0.704 0.000 0.628 533 A CB -0.724 17.949 19.000 -0.544 0.000 0.830 533 A HN 0.491 nan 8.150 nan 0.000 0.446 534 A N 0.110 122.746 122.820 -0.307 0.000 1.898 534 A HA -0.162 4.162 4.320 0.006 0.000 0.216 534 A C 1.881 179.374 177.584 -0.151 0.000 1.181 534 A CA 1.596 53.502 52.037 -0.218 0.000 0.620 534 A CB -0.559 18.270 19.000 -0.285 0.000 0.819 534 A HN 0.593 nan 8.150 nan 0.000 0.442 535 E N -1.754 118.355 120.200 -0.153 0.000 2.160 535 E HA -0.217 4.137 4.350 0.006 0.000 0.195 535 E C 1.753 178.329 176.600 -0.039 0.000 0.991 535 E CA 1.436 57.777 56.400 -0.097 0.000 0.810 535 E CB -0.260 29.395 29.700 -0.076 0.000 0.742 535 E HN 0.834 nan 8.360 nan 0.000 0.466 536 Y N 1.318 121.517 120.300 -0.168 0.000 2.114 536 Y HA -0.187 4.366 4.550 0.005 0.000 0.284 536 Y C 2.096 177.991 175.900 -0.010 0.000 1.119 536 Y CA 1.393 59.432 58.100 -0.102 0.000 1.108 536 Y CB -0.302 38.029 38.460 -0.216 0.000 0.995 536 Y HN -0.103 nan 8.280 nan 0.000 0.491 537 L N 0.022 121.395 121.223 0.249 0.000 2.051 537 L HA -0.302 4.041 4.340 0.006 0.000 0.214 537 L C 2.436 179.394 176.870 0.148 0.000 1.076 537 L CA 1.821 56.812 54.840 0.253 0.000 0.758 537 L CB -0.682 41.457 42.059 0.134 0.000 0.890 537 L HN 0.383 nan 8.230 nan 0.000 0.433 538 I N -0.558 120.030 120.570 0.030 0.000 2.353 538 I HA -0.262 3.911 4.170 0.006 0.000 0.248 538 I C 2.697 178.779 176.117 -0.058 0.000 1.119 538 I CA 1.187 62.479 61.300 -0.013 0.000 1.417 538 I CB -0.163 37.803 38.000 -0.056 0.000 1.078 538 I HN 0.183 nan 8.210 nan 0.000 0.421 539 K N 0.705 121.046 120.400 -0.099 0.000 2.103 539 K HA -0.121 4.202 4.320 0.006 0.000 0.204 539 K C 1.196 177.696 176.600 -0.167 0.000 1.052 539 K CA 1.085 57.295 56.287 -0.129 0.000 0.945 539 K CB 0.164 32.581 32.500 -0.139 0.000 0.722 539 K HN 0.219 nan 8.250 nan 0.000 0.443 540 E N -0.067 119.989 120.200 -0.239 0.000 2.359 540 E HA 0.038 4.391 4.350 0.006 0.000 0.187 540 E C 0.347 176.786 176.600 -0.268 0.000 1.081 540 E CA 0.452 56.692 56.400 -0.267 0.000 0.929 540 E CB 0.454 29.933 29.700 -0.369 0.000 1.086 540 E HN 0.554 nan 8.360 nan 0.000 0.462 541 G N 1.196 109.896 108.800 -0.168 0.000 2.273 541 G HA2 -0.335 3.628 3.960 0.006 0.000 0.280 541 G HA3 -0.335 3.628 3.960 0.006 0.000 0.280 541 G C 0.451 175.268 174.900 -0.138 0.000 1.047 541 G CA 0.567 45.578 45.100 -0.147 0.000 0.869 541 G HN 0.408 nan 8.290 nan 0.000 0.502 542 Y N -0.735 119.575 120.300 0.017 0.000 2.347 542 Y HA 0.355 4.908 4.550 0.006 0.000 0.294 542 Y C 2.037 178.035 175.900 0.165 0.000 1.117 542 Y CA 1.777 59.941 58.100 0.107 0.000 1.184 542 Y CB 0.718 39.215 38.460 0.061 0.000 1.047 542 Y HN 0.425 nan 8.280 nan 0.000 0.546 543 T N -2.167 112.520 114.554 0.221 0.000 2.665 543 T HA 0.510 4.863 4.350 0.006 0.000 0.303 543 T C -1.182 173.549 174.700 0.052 0.000 1.334 543 T CA -0.660 61.523 62.100 0.137 0.000 1.011 543 T CB 1.337 70.311 68.868 0.176 0.000 1.573 543 T HN -0.122 nan 8.240 nan 0.000 0.492 544 S N 0.750 116.470 115.700 0.033 0.000 2.677 544 S HA 0.576 5.049 4.470 0.006 0.000 0.304 544 S C -1.897 172.703 174.600 -0.001 0.000 1.108 544 S CA -1.299 56.900 58.200 -0.002 0.000 0.944 544 S CB 1.812 65.003 63.200 -0.014 0.000 1.127 544 S HN 0.552 nan 8.310 nan 0.000 0.511 545 P HA -0.085 nan 4.420 nan 0.000 0.215 545 P C 1.343 178.645 177.300 0.003 0.000 1.157 545 P CA 1.784 64.852 63.100 -0.052 0.000 0.874 545 P CB -0.002 31.649 31.700 -0.082 0.000 0.790 546 K N 0.477 120.885 120.400 0.014 0.000 2.442 546 K HA -0.092 4.231 4.320 0.006 0.000 0.198 546 K C 1.658 178.297 176.600 0.064 0.000 1.042 546 K CA 1.191 57.501 56.287 0.038 0.000 0.958 546 K CB -1.137 31.379 32.500 0.026 0.000 0.766 546 K HN 0.453 nan 8.250 nan 0.000 0.474 547 R N -0.750 119.795 120.500 0.074 0.000 2.577 547 R HA 0.344 4.687 4.340 0.006 0.000 0.344 547 R C -0.236 176.159 176.300 0.157 0.000 1.037 547 R CA -0.603 55.565 56.100 0.113 0.000 1.102 547 R CB -0.392 29.968 30.300 0.101 0.000 1.313 547 R HN 0.201 nan 8.270 nan 0.000 0.561 548 L N 1.421 122.728 121.223 0.140 0.000 2.307 548 L HA 0.472 4.816 4.340 0.006 0.000 0.282 548 L C -0.902 176.068 176.870 0.167 0.000 1.051 548 L CA 0.160 55.096 54.840 0.161 0.000 0.804 548 L CB 1.990 44.123 42.059 0.123 0.000 1.197 548 L HN 0.090 nan 8.230 nan 0.000 0.431 549 T N 6.010 120.634 114.554 0.117 0.000 2.861 549 T HA 0.656 5.009 4.350 0.006 0.000 0.287 549 T C -0.523 174.049 174.700 -0.213 0.000 1.003 549 T CA -0.213 61.871 62.100 -0.026 0.000 0.977 549 T CB 1.149 69.991 68.868 -0.043 0.000 0.996 549 T HN 0.536 nan 8.240 nan 0.000 0.448 550 I N 0.955 121.371 120.570 -0.256 0.000 2.410 550 I HA 0.581 4.755 4.170 0.006 0.000 0.286 550 I C -0.294 175.629 176.117 -0.324 0.000 1.009 550 I CA -0.740 60.411 61.300 -0.248 0.000 1.111 550 I CB 1.435 39.334 38.000 -0.168 0.000 1.262 550 I HN 0.468 nan 8.210 nan 0.000 0.443 551 N N 4.035 122.500 118.700 -0.393 0.000 2.483 551 N HA 0.876 5.619 4.740 0.006 0.000 0.285 551 N C -0.565 174.856 175.510 -0.148 0.000 1.210 551 N CA -0.480 52.424 53.050 -0.243 0.000 0.931 551 N CB 2.272 40.657 38.487 -0.169 0.000 1.220 551 N HN 1.007 nan 8.380 nan 0.000 0.542 552 G N -0.954 107.782 108.800 -0.106 0.000 2.404 552 G HA2 0.469 4.432 3.960 0.006 0.000 0.298 552 G HA3 0.469 4.432 3.960 0.006 0.000 0.298 552 G C -1.626 173.223 174.900 -0.085 0.000 1.577 552 G CA -0.433 44.532 45.100 -0.225 0.000 0.847 552 G HN 0.707 nan 8.290 nan 0.000 0.598 553 G N -0.863 107.917 108.800 -0.034 0.000 2.659 553 G HA2 0.801 4.764 3.960 0.006 0.000 0.296 553 G HA3 0.801 4.764 3.960 0.006 0.000 0.296 553 G C 0.163 175.064 174.900 0.002 0.000 1.369 553 G CA 0.981 46.073 45.100 -0.012 0.000 0.937 553 G HN 1.967 nan 8.290 nan 0.000 0.485 554 S N -0.301 115.390 115.700 -0.014 0.000 4.064 554 S HA -0.327 4.146 4.470 0.006 0.000 0.625 554 S C 1.919 176.382 174.600 -0.229 0.000 2.010 554 S CA 1.273 59.464 58.200 -0.014 0.000 4.186 554 S CB -1.471 61.830 63.200 0.169 0.000 0.211 554 S HN 1.006 nan 8.310 nan 0.000 0.605 555 N N 1.105 119.580 118.700 -0.374 0.000 2.205 555 N HA -0.129 4.614 4.740 0.006 0.000 0.186 555 N C 1.737 176.882 175.510 -0.609 0.000 1.015 555 N CA 1.438 54.132 53.050 -0.593 0.000 0.862 555 N CB -0.808 37.043 38.487 -1.059 0.000 0.986 555 N HN 0.578 nan 8.380 nan 0.000 0.429 556 G N 0.193 108.673 108.800 -0.533 0.000 2.453 556 G HA2 -0.199 3.764 3.960 0.006 0.000 0.215 556 G HA3 -0.199 3.764 3.960 0.006 0.000 0.215 556 G C 1.452 176.156 174.900 -0.328 0.000 1.201 556 G CA 0.953 45.814 45.100 -0.398 0.000 0.784 556 G HN 0.418 nan 8.290 nan 0.000 0.545 557 G N 0.792 109.453 108.800 -0.232 0.000 2.475 557 G HA2 -0.173 3.791 3.960 0.006 0.000 0.220 557 G HA3 -0.173 3.791 3.960 0.006 0.000 0.220 557 G C 1.777 176.530 174.900 -0.244 0.000 1.125 557 G CA 1.232 46.208 45.100 -0.206 0.000 0.755 557 G HN 0.527 nan 8.290 nan 0.000 0.565 558 L N 0.051 121.113 121.223 -0.267 0.000 2.109 558 L HA 0.186 4.530 4.340 0.006 0.000 0.207 558 L C 2.473 179.232 176.870 -0.185 0.000 1.086 558 L CA 1.648 56.330 54.840 -0.264 0.000 0.760 558 L CB -0.505 41.397 42.059 -0.261 0.000 0.910 558 L HN 0.183 nan 8.230 nan 0.000 0.437 559 L N -0.411 120.720 121.223 -0.154 0.000 1.994 559 L HA -0.148 4.195 4.340 0.006 0.000 0.208 559 L C 2.509 179.305 176.870 -0.125 0.000 1.071 559 L CA 2.305 57.124 54.840 -0.036 0.000 0.745 559 L CB -0.605 41.254 42.059 -0.333 0.000 0.892 559 L HN 0.304 nan 8.230 nan 0.000 0.431 560 V N -1.994 117.784 119.914 -0.226 0.000 2.407 560 V HA -0.185 3.938 4.120 0.006 0.000 0.248 560 V C 2.565 178.540 176.094 -0.198 0.000 1.055 560 V CA 1.535 63.720 62.300 -0.192 0.000 1.049 560 V CB -2.060 29.636 31.823 -0.211 0.000 0.662 560 V HN 0.487 nan 8.190 nan 0.000 0.455 561 A N 0.720 123.423 122.820 -0.196 0.000 1.969 561 A HA -0.099 4.224 4.320 0.006 0.000 0.218 561 A C 2.318 179.803 177.584 -0.164 0.000 1.169 561 A CA 2.262 54.201 52.037 -0.163 0.000 0.635 561 A CB -1.069 17.723 19.000 -0.347 0.000 0.810 561 A HN 0.564 nan 8.150 nan 0.000 0.445 562 T N -1.252 113.134 114.554 -0.281 0.000 2.942 562 T HA -0.105 4.249 4.350 0.006 0.000 0.265 562 T C 1.748 176.284 174.700 -0.273 0.000 1.062 562 T CA 1.314 63.176 62.100 -0.397 0.000 1.139 562 T CB -0.496 67.782 68.868 -0.983 0.000 0.883 562 T HN 0.537 nan 8.240 nan 0.000 0.468 563 C N 1.635 120.844 119.300 -0.152 0.000 2.448 563 C HA 0.311 4.774 4.460 0.006 0.000 0.280 563 C C 3.084 178.130 174.990 0.094 0.000 1.398 563 C CA 0.109 59.156 59.018 0.048 0.000 1.774 563 C CB -1.289 26.569 27.740 0.197 0.000 1.888 563 C HN 0.643 nan 8.230 nan 0.000 0.519 564 A N 0.864 123.642 122.820 -0.069 0.000 2.021 564 A HA -0.058 4.266 4.320 0.006 0.000 0.216 564 A C 1.813 179.340 177.584 -0.094 0.000 1.163 564 A CA 1.349 53.359 52.037 -0.046 0.000 0.676 564 A CB -0.401 18.565 19.000 -0.057 0.000 0.818 564 A HN 0.573 nan 8.150 nan 0.000 0.453 565 N N -0.293 118.403 118.700 -0.007 0.000 2.290 565 N HA -0.043 4.700 4.740 0.006 0.000 0.179 565 N C 1.918 177.422 175.510 -0.009 0.000 1.016 565 N CA 1.242 54.318 53.050 0.042 0.000 0.871 565 N CB -0.141 38.408 38.487 0.104 0.000 0.987 565 N HN 0.604 nan 8.380 nan 0.000 0.431 566 Q N -0.530 119.260 119.800 -0.017 0.000 2.123 566 Q HA 0.173 4.516 4.340 0.006 0.000 0.196 566 Q C -0.008 175.995 176.000 0.004 0.000 0.958 566 Q CA 0.799 56.600 55.803 -0.003 0.000 0.841 566 Q CB 0.508 29.240 28.738 -0.010 0.000 0.915 566 Q HN 0.077 nan 8.270 nan 0.000 0.455 567 R N 0.885 121.411 120.500 0.043 0.000 2.629 567 R HA 0.205 4.549 4.340 0.006 0.000 0.277 567 R C -2.271 174.047 176.300 0.031 0.000 1.637 567 R CA -1.438 54.662 56.100 0.001 0.000 1.663 567 R CB 0.887 31.161 30.300 -0.044 0.000 1.228 567 R HN 0.123 nan 8.270 nan 0.000 0.632 568 P HA -0.109 nan 4.420 nan 0.000 0.230 568 P C 0.278 177.549 177.300 -0.048 0.000 1.158 568 P CA 0.959 64.007 63.100 -0.086 0.000 0.769 568 P CB 0.166 31.590 31.700 -0.460 0.000 0.807 569 D N -1.907 118.430 120.400 -0.105 0.000 2.340 569 D HA -0.045 4.598 4.640 0.006 0.000 0.220 569 D C 1.639 177.817 176.300 -0.203 0.000 1.039 569 D CA 0.000 53.933 54.000 -0.113 0.000 0.866 569 D CB -0.592 40.152 40.800 -0.094 0.000 0.913 569 D HN -0.020 nan 8.370 nan 0.000 0.523 570 L N -0.623 120.350 121.223 -0.417 0.000 2.249 570 L HA 0.307 4.650 4.340 0.006 0.000 0.207 570 L C -0.392 176.025 176.870 -0.755 0.000 1.090 570 L CA 0.724 55.118 54.840 -0.744 0.000 0.802 570 L CB -0.129 41.186 42.059 -1.240 0.000 0.947 570 L HN -0.007 nan 8.230 nan 0.000 0.453 571 F N -2.604 117.314 119.950 -0.053 0.000 2.579 571 F HA 0.665 5.195 4.527 0.005 0.000 0.324 571 F C 1.175 176.969 175.800 -0.011 0.000 1.058 571 F CA -1.007 56.973 58.000 -0.034 0.000 0.944 571 F CB 0.754 39.730 39.000 -0.041 0.000 1.245 571 F HN -0.294 nan 8.300 nan 0.000 0.477 572 G N -0.965 107.963 108.800 0.213 0.000 3.192 572 G HA2 0.342 4.305 3.960 0.006 0.000 0.239 572 G HA3 0.342 4.305 3.960 0.006 0.000 0.239 572 G C -0.941 174.041 174.900 0.136 0.000 1.084 572 G CA -0.055 45.130 45.100 0.140 0.000 0.784 572 G HN 0.699 nan 8.290 nan 0.000 0.540 573 C N 0.157 119.549 119.300 0.153 0.000 3.113 573 C HA 0.645 5.109 4.460 0.006 0.000 0.376 573 C C -1.413 173.618 174.990 0.068 0.000 1.077 573 C CA -0.449 58.657 59.018 0.146 0.000 1.253 573 C CB 0.953 28.777 27.740 0.141 0.000 1.637 573 C HN 0.067 nan 8.230 nan 0.000 0.535 574 V N 6.232 126.193 119.914 0.078 0.000 2.686 574 V HA 0.595 4.718 4.120 0.006 0.000 0.306 574 V C -0.643 175.413 176.094 -0.064 0.000 1.065 574 V CA -0.303 61.958 62.300 -0.064 0.000 0.894 574 V CB 1.919 33.683 31.823 -0.098 0.000 1.004 574 V HN 0.717 nan 8.190 nan 0.000 0.424 575 I N 4.048 124.538 120.570 -0.134 0.000 2.466 575 I HA 0.671 4.844 4.170 0.006 0.000 0.279 575 I C 0.168 176.207 176.117 -0.130 0.000 1.033 575 I CA -0.378 60.832 61.300 -0.150 0.000 1.123 575 I CB 1.734 39.647 38.000 -0.145 0.000 1.237 575 I HN 0.681 nan 8.210 nan 0.000 0.460 576 A N 6.391 129.143 122.820 -0.114 0.000 2.258 576 A HA 0.672 4.996 4.320 0.006 0.000 0.316 576 A C -0.467 177.073 177.584 -0.074 0.000 1.279 576 A CA -0.441 51.537 52.037 -0.098 0.000 0.876 576 A CB 0.570 19.516 19.000 -0.090 0.000 1.170 576 A HN 0.686 nan 8.150 nan 0.000 0.520 577 Q N 1.228 120.992 119.800 -0.060 0.000 2.256 577 Q HA 0.453 4.797 4.340 0.006 0.000 0.257 577 Q C 0.272 176.252 176.000 -0.033 0.000 0.936 577 Q CA -0.681 55.099 55.803 -0.039 0.000 0.903 577 Q CB 2.168 30.891 28.738 -0.025 0.000 1.263 577 Q HN 1.366 nan 8.270 nan 0.000 0.440 578 V N 0.170 120.081 119.914 -0.004 0.000 5.767 578 V HA -0.228 3.895 4.120 0.006 0.000 0.141 578 V C 0.141 176.254 176.094 0.032 0.000 0.729 578 V CA 0.931 63.264 62.300 0.055 0.000 0.497 578 V CB -2.047 29.850 31.823 0.124 0.000 0.230 578 V HN 0.808 nan 8.190 nan 0.000 0.365 579 G N 2.060 110.829 108.800 -0.051 0.000 2.509 579 G HA2 0.687 4.650 3.960 0.006 0.000 0.328 579 G HA3 0.687 4.650 3.960 0.006 0.000 0.328 579 G C -0.569 174.177 174.900 -0.257 0.000 1.194 579 G CA -0.630 44.378 45.100 -0.153 0.000 0.967 579 G HN 1.057 nan 8.290 nan 0.000 0.488 580 V N 1.723 121.409 119.914 -0.379 0.000 2.465 580 V HA 0.271 4.395 4.120 0.006 0.000 0.279 580 V C 0.422 176.271 176.094 -0.410 0.000 1.045 580 V CA -0.305 61.661 62.300 -0.557 0.000 0.938 580 V CB 1.458 32.951 31.823 -0.550 0.000 0.986 580 V HN 0.726 nan 8.190 nan 0.000 0.467 581 M N 1.023 120.474 119.600 -0.250 0.000 2.363 581 M HA 0.284 4.767 4.480 0.006 0.000 0.243 581 M C 0.441 176.705 176.300 -0.061 0.000 1.364 581 M CA 0.281 55.440 55.300 -0.234 0.000 1.104 581 M CB -0.059 32.374 32.600 -0.277 0.000 1.570 581 M HN 0.562 nan 8.290 nan 0.000 0.564 582 D N 2.193 122.769 120.400 0.293 0.000 2.441 582 D HA 0.215 4.859 4.640 0.006 0.000 0.221 582 D C 0.693 177.196 176.300 0.337 0.000 1.156 582 D CA 0.033 54.175 54.000 0.235 0.000 0.896 582 D CB 0.891 41.820 40.800 0.216 0.000 1.028 582 D HN -0.002 nan 8.370 nan 0.000 0.509 583 M N 3.185 122.892 119.600 0.178 0.000 2.659 583 M HA 0.020 4.504 4.480 0.006 0.000 0.243 583 M C 1.530 178.063 176.300 0.387 0.000 1.111 583 M CA 0.346 55.782 55.300 0.227 0.000 1.070 583 M CB -0.069 32.447 32.600 -0.139 0.000 1.525 583 M HN 0.460 nan 8.290 nan 0.000 0.517 584 L N -0.320 121.049 121.223 0.244 0.000 2.145 584 L HA -0.063 4.281 4.340 0.006 0.000 0.201 584 L C 1.569 178.535 176.870 0.161 0.000 1.075 584 L CA 0.857 55.765 54.840 0.112 0.000 0.773 584 L CB -0.281 41.712 42.059 -0.110 0.000 0.936 584 L HN 0.247 nan 8.230 nan 0.000 0.451 585 K N 0.162 120.631 120.400 0.115 0.000 2.399 585 K HA 0.090 4.413 4.320 0.006 0.000 0.204 585 K C 1.538 177.970 176.600 -0.280 0.000 1.023 585 K CA 0.003 56.183 56.287 -0.177 0.000 1.127 585 K CB 0.279 32.782 32.500 0.004 0.000 0.856 585 K HN 0.167 nan 8.250 nan 0.000 0.514 586 F N 1.889 121.875 119.950 0.060 0.000 2.216 586 F HA -0.177 4.353 4.527 0.005 0.000 0.300 586 F C 2.143 177.959 175.800 0.027 0.000 1.085 586 F CA 1.130 59.306 58.000 0.292 0.000 1.326 586 F CB -0.766 38.525 39.000 0.485 0.000 1.027 586 F HN 0.152 nan 8.300 nan 0.000 0.497 587 H N 1.241 119.731 119.070 -0.966 0.000 2.559 587 H HA 0.087 4.647 4.556 0.006 0.000 0.273 587 H C 0.682 175.747 175.328 -0.437 0.000 1.000 587 H CA 0.953 56.564 56.048 -0.729 0.000 1.195 587 H CB -0.656 28.648 29.762 -0.763 0.000 1.368 587 H HN 0.506 nan 8.280 nan 0.000 0.592 588 K N 0.240 120.078 120.400 -0.936 0.000 2.404 588 K HA 0.121 4.444 4.320 0.006 0.000 0.194 588 K C -0.534 175.655 176.600 -0.684 0.000 1.023 588 K CA -0.115 55.710 56.287 -0.769 0.000 1.094 588 K CB 0.244 32.208 32.500 -0.893 0.000 0.841 588 K HN 0.269 nan 8.250 nan 0.000 0.523 589 Y N 1.694 121.927 120.300 -0.111 0.000 2.446 589 Y HA 0.050 4.604 4.550 0.006 0.000 0.338 589 Y C 1.579 177.421 175.900 -0.098 0.000 1.055 589 Y CA -0.555 57.506 58.100 -0.065 0.000 1.101 589 Y CB 1.545 39.995 38.460 -0.016 0.000 1.221 589 Y HN 0.167 nan 8.280 nan 0.000 0.460 590 T N -0.336 114.281 114.554 0.105 0.000 3.485 590 T HA -0.414 3.940 4.350 0.006 0.000 0.120 590 T C 0.737 175.373 174.700 -0.108 0.000 1.733 590 T CA 1.947 64.047 62.100 0.000 0.000 0.863 590 T CB -0.975 67.899 68.868 0.009 0.000 0.967 590 T HN 0.632 nan 8.240 nan 0.000 0.405 591 I N 2.338 122.763 120.570 -0.241 0.000 3.891 591 I HA 0.492 4.665 4.170 0.006 0.000 0.331 591 I C 2.077 177.563 176.117 -1.052 0.000 1.406 591 I CA 0.710 61.679 61.300 -0.551 0.000 1.139 591 I CB -0.477 37.291 38.000 -0.386 0.000 1.056 591 I HN 0.710 nan 8.210 nan 0.000 0.399 592 G N 1.118 109.323 108.800 -0.993 0.000 2.469 592 G HA2 -0.337 3.627 3.960 0.006 0.000 0.220 592 G HA3 -0.337 3.627 3.960 0.006 0.000 0.220 592 G C 1.602 176.044 174.900 -0.763 0.000 1.136 592 G CA 1.348 45.636 45.100 -1.354 0.000 0.759 592 G HN 0.698 nan 8.290 nan 0.000 0.562 593 H N 0.175 119.035 119.070 -0.349 0.000 2.496 593 H HA 0.033 4.592 4.556 0.005 0.000 0.296 593 H C 2.364 177.638 175.328 -0.089 0.000 1.107 593 H CA 1.137 57.092 56.048 -0.155 0.000 1.263 593 H CB -0.524 29.169 29.762 -0.114 0.000 1.369 593 H HN 0.372 nan 8.280 nan 0.000 0.541 594 A N 0.988 123.549 122.820 -0.430 0.000 2.167 594 A HA -0.051 4.273 4.320 0.006 0.000 0.214 594 A C 1.531 179.230 177.584 0.191 0.000 1.151 594 A CA 0.394 52.349 52.037 -0.136 0.000 0.735 594 A CB -0.690 18.141 19.000 -0.282 0.000 0.802 594 A HN 0.473 nan 8.150 nan 0.000 0.467 595 W N 0.525 121.973 121.300 0.246 0.000 2.863 595 W HA 0.024 4.687 4.660 0.005 0.000 0.258 595 W C 2.304 178.999 176.519 0.292 0.000 1.298 595 W CA 0.944 58.495 57.345 0.343 0.000 1.451 595 W CB -1.605 28.115 29.460 0.434 0.000 1.107 595 W HN 0.530 nan 8.180 nan 0.000 0.641 596 T N -1.250 113.649 114.554 0.576 0.000 2.802 596 T HA -0.266 4.087 4.350 0.006 0.000 0.269 596 T C 1.658 176.524 174.700 0.277 0.000 1.062 596 T CA 2.364 64.757 62.100 0.487 0.000 1.133 596 T CB -0.975 68.080 68.868 0.311 0.000 0.852 596 T HN 0.163 nan 8.240 nan 0.000 0.485 597 T N -1.485 113.167 114.554 0.163 0.000 3.007 597 T HA 0.003 4.356 4.350 0.006 0.000 0.270 597 T C 1.245 175.889 174.700 -0.093 0.000 1.107 597 T CA 1.320 63.448 62.100 0.047 0.000 1.118 597 T CB -0.308 68.575 68.868 0.026 0.000 0.889 597 T HN 0.446 nan 8.240 nan 0.000 0.506 598 D N -0.508 119.747 120.400 -0.242 0.000 2.525 598 D HA 0.226 4.869 4.640 0.006 0.000 0.248 598 D C 1.441 177.535 176.300 -0.342 0.000 1.000 598 D CA 0.276 53.945 54.000 -0.552 0.000 0.923 598 D CB 0.184 40.201 40.800 -1.306 0.000 1.101 598 D HN 0.501 nan 8.370 nan 0.000 0.493 599 Y N 0.076 120.405 120.300 0.050 0.000 2.301 599 Y HA 0.386 4.939 4.550 0.005 0.000 0.295 599 Y C 1.489 177.579 175.900 0.317 0.000 1.126 599 Y CA 0.250 58.451 58.100 0.169 0.000 1.154 599 Y CB 0.486 39.043 38.460 0.160 0.000 1.075 599 Y HN 0.020 nan 8.280 nan 0.000 0.534 600 G N -0.786 108.331 108.800 0.529 0.000 2.331 600 G HA2 -0.035 3.928 3.960 0.006 0.000 0.402 600 G HA3 -0.035 3.928 3.960 0.006 0.000 0.402 600 G C -2.041 173.228 174.900 0.616 0.000 1.275 600 G CA -0.866 44.531 45.100 0.495 0.000 1.003 600 G HN 0.231 nan 8.290 nan 0.000 0.500 601 C N 0.804 120.486 119.300 0.637 0.000 2.397 601 C HA 0.697 5.161 4.460 0.006 0.000 0.325 601 C C 1.991 177.018 174.990 0.061 0.000 1.201 601 C CA 0.511 59.613 59.018 0.140 0.000 1.377 601 C CB 0.473 28.162 27.740 -0.086 0.000 2.038 601 C HN 1.830 nan 8.230 nan 0.000 0.457 602 S N 1.994 117.747 115.700 0.089 0.000 2.488 602 S HA -0.168 4.306 4.470 0.006 0.000 0.246 602 S C 0.796 175.614 174.600 0.364 0.000 0.992 602 S CA 1.826 60.184 58.200 0.263 0.000 0.963 602 S CB -0.307 63.073 63.200 0.300 0.000 0.754 602 S HN 0.866 nan 8.310 nan 0.000 0.519 603 D N 1.601 122.055 120.400 0.091 0.000 2.317 603 D HA 0.090 4.733 4.640 0.006 0.000 0.211 603 D C 0.764 177.168 176.300 0.173 0.000 0.966 603 D CA 0.695 54.755 54.000 0.101 0.000 0.876 603 D CB 0.081 40.827 40.800 -0.089 0.000 0.927 603 D HN 0.519 nan 8.370 nan 0.000 0.519 604 S N 0.178 115.851 115.700 -0.045 0.000 2.442 604 S HA 0.145 4.618 4.470 0.006 0.000 0.297 604 S C 1.041 175.302 174.600 -0.565 0.000 1.131 604 S CA -0.820 57.196 58.200 -0.307 0.000 1.092 604 S CB 1.666 64.468 63.200 -0.663 0.000 0.998 604 S HN -0.081 nan 8.310 nan 0.000 0.478 605 K N 2.955 122.856 120.400 -0.832 0.000 2.160 605 K HA -0.226 4.098 4.320 0.006 0.000 0.206 605 K C 1.964 178.287 176.600 -0.462 0.000 1.047 605 K CA 2.228 57.929 56.287 -0.977 0.000 0.930 605 K CB -0.140 32.071 32.500 -0.483 0.000 0.720 605 K HN 0.942 nan 8.250 nan 0.000 0.450 606 Q N -1.486 118.103 119.800 -0.351 0.000 2.212 606 Q HA -0.081 4.262 4.340 0.006 0.000 0.199 606 Q C 1.481 177.075 176.000 -0.677 0.000 0.950 606 Q CA 1.072 56.694 55.803 -0.302 0.000 0.863 606 Q CB -0.151 28.519 28.738 -0.113 0.000 0.944 606 Q HN 0.510 nan 8.270 nan 0.000 0.465 607 H N -0.896 117.632 119.070 -0.903 0.000 2.436 607 H HA -0.040 4.519 4.556 0.005 0.000 0.294 607 H C 1.539 176.423 175.328 -0.740 0.000 1.048 607 H CA 0.781 56.050 56.048 -1.298 0.000 1.353 607 H CB 0.081 29.486 29.762 -0.594 0.000 1.414 607 H HN 0.319 nan 8.280 nan 0.000 0.536 608 F N 2.561 122.273 119.950 -0.396 0.000 2.202 608 F HA -0.199 4.331 4.527 0.005 0.000 0.301 608 F C 2.125 177.741 175.800 -0.307 0.000 1.082 608 F CA 1.140 58.977 58.000 -0.271 0.000 1.313 608 F CB 0.143 39.047 39.000 -0.159 0.000 1.024 608 F HN 0.050 nan 8.300 nan 0.000 0.495 609 E N -0.274 119.795 120.200 -0.219 0.000 2.204 609 E HA -0.190 4.163 4.350 0.006 0.000 0.194 609 E C 2.058 178.623 176.600 -0.059 0.000 0.989 609 E CA 1.060 57.380 56.400 -0.134 0.000 0.824 609 E CB -0.553 29.122 29.700 -0.040 0.000 0.756 609 E HN 0.572 nan 8.360 nan 0.000 0.477 610 W N 0.940 122.205 121.300 -0.059 0.000 2.444 610 W HA 0.062 4.725 4.660 0.004 0.000 0.308 610 W C 2.257 178.678 176.519 -0.163 0.000 1.183 610 W CA 0.021 57.369 57.345 0.005 0.000 1.340 610 W CB -1.387 28.120 29.460 0.079 0.000 1.138 610 W HN 0.015 nan 8.180 nan 0.000 0.510 611 L N 0.253 121.363 121.223 -0.188 0.000 1.955 611 L HA -0.263 4.080 4.340 0.006 0.000 0.213 611 L C 2.489 178.899 176.870 -0.767 0.000 1.072 611 L CA 1.252 55.658 54.840 -0.722 0.000 0.755 611 L CB -1.531 40.243 42.059 -0.475 0.000 0.888 611 L HN -0.167 nan 8.230 nan 0.000 0.432 612 I N 0.329 120.430 120.570 -0.782 0.000 2.229 612 I HA -0.346 3.827 4.170 0.006 0.000 0.250 612 I C 2.332 178.263 176.117 -0.309 0.000 1.096 612 I CA 1.733 62.631 61.300 -0.670 0.000 1.358 612 I CB -0.492 37.037 38.000 -0.785 0.000 1.047 612 I HN 0.185 nan 8.210 nan 0.000 0.422 613 K N -1.092 119.192 120.400 -0.194 0.000 2.288 613 K HA -0.147 4.176 4.320 0.006 0.000 0.201 613 K C 1.444 178.078 176.600 0.056 0.000 1.048 613 K CA 1.717 57.998 56.287 -0.010 0.000 0.956 613 K CB -0.172 32.388 32.500 0.099 0.000 0.746 613 K HN 0.692 nan 8.250 nan 0.000 0.461 614 Y N -3.081 117.182 120.300 -0.061 0.000 2.425 614 Y HA 0.320 4.873 4.550 0.005 0.000 0.261 614 Y C 0.444 176.245 175.900 -0.166 0.000 1.084 614 Y CA -0.858 57.162 58.100 -0.132 0.000 1.248 614 Y CB -0.149 38.235 38.460 -0.127 0.000 1.270 614 Y HN -0.218 nan 8.280 nan 0.000 0.524 615 S N 4.434 119.928 115.700 -0.343 0.000 3.106 615 S HA -0.010 4.463 4.470 0.006 0.000 0.363 615 S C -1.319 173.207 174.600 -0.123 0.000 1.191 615 S CA -0.635 57.432 58.200 -0.222 0.000 1.191 615 S CB 0.318 63.465 63.200 -0.088 0.000 0.884 615 S HN 0.250 nan 8.310 nan 0.000 0.526 616 P HA -0.182 nan 4.420 nan 0.000 0.217 616 P C 1.595 178.845 177.300 -0.083 0.000 1.162 616 P CA 0.724 63.674 63.100 -0.250 0.000 0.901 616 P CB -0.028 31.297 31.700 -0.625 0.000 0.793 617 L N -1.375 119.725 121.223 -0.204 0.000 2.261 617 L HA -0.160 4.183 4.340 0.006 0.000 0.216 617 L C 1.378 178.079 176.870 -0.281 0.000 1.114 617 L CA 1.991 56.753 54.840 -0.131 0.000 0.777 617 L CB -1.350 40.488 42.059 -0.369 0.000 0.910 617 L HN 0.128 nan 8.230 nan 0.000 0.440 618 H N -2.074 117.028 119.070 0.054 0.000 2.592 618 H HA 0.333 4.893 4.556 0.006 0.000 0.279 618 H C 0.556 175.908 175.328 0.040 0.000 1.089 618 H CA 0.087 56.155 56.048 0.033 0.000 1.150 618 H CB 0.150 29.893 29.762 -0.031 0.000 1.575 618 H HN 0.259 nan 8.280 nan 0.000 0.547 619 N N 0.521 119.296 118.700 0.126 0.000 2.241 619 N HA 0.076 4.820 4.740 0.006 0.000 0.238 619 N C -0.584 175.017 175.510 0.152 0.000 1.244 619 N CA 0.097 53.217 53.050 0.117 0.000 0.880 619 N CB 1.837 40.369 38.487 0.075 0.000 1.179 619 N HN -0.003 nan 8.380 nan 0.000 0.513 620 V N 2.008 122.021 119.914 0.165 0.000 2.521 620 V HA 0.414 4.537 4.120 0.006 0.000 0.286 620 V C 0.648 176.820 176.094 0.131 0.000 1.034 620 V CA 0.338 62.735 62.300 0.162 0.000 1.045 620 V CB 0.426 32.271 31.823 0.037 0.000 0.974 620 V HN 0.348 nan 8.190 nan 0.000 0.480 621 K N 4.414 124.933 120.400 0.198 0.000 2.532 621 K HA 0.691 5.014 4.320 0.006 0.000 0.265 621 K C -1.029 175.702 176.600 0.218 0.000 0.948 621 K CA -0.734 55.649 56.287 0.161 0.000 0.842 621 K CB 1.458 34.047 32.500 0.149 0.000 1.392 621 K HN 0.578 nan 8.250 nan 0.000 0.436 622 L N 3.607 124.908 121.223 0.131 0.000 2.369 622 L HA 0.292 4.636 4.340 0.006 0.000 0.279 622 L C -1.894 175.065 176.870 0.148 0.000 1.108 622 L CA -1.628 53.293 54.840 0.135 0.000 0.852 622 L CB 1.280 43.377 42.059 0.063 0.000 1.169 622 L HN 0.627 nan 8.230 nan 0.000 0.452 623 P HA -0.002 nan 4.420 nan 0.000 0.263 623 P C 0.533 177.877 177.300 0.074 0.000 1.175 623 P CA 0.385 63.550 63.100 0.109 0.000 0.761 623 P CB 0.643 32.398 31.700 0.091 0.000 0.794 624 E N 1.828 122.061 120.200 0.055 0.000 2.216 624 E HA 0.120 4.473 4.350 0.006 0.000 0.192 624 E C 1.109 177.729 176.600 0.033 0.000 0.988 624 E CA 0.915 57.341 56.400 0.043 0.000 0.834 624 E CB -0.445 29.277 29.700 0.037 0.000 0.772 624 E HN 0.737 nan 8.360 nan 0.000 0.479 625 A N 0.903 123.741 122.820 0.029 0.000 2.425 625 A HA 0.298 4.621 4.320 0.006 0.000 0.249 625 A C 0.915 178.514 177.584 0.025 0.000 1.084 625 A CA 0.137 52.187 52.037 0.022 0.000 0.781 625 A CB 0.467 19.475 19.000 0.014 0.000 1.019 625 A HN 0.290 nan 8.150 nan 0.000 0.490 626 D N 1.012 121.424 120.400 0.021 0.000 2.088 626 D HA -0.174 4.470 4.640 0.006 0.000 0.191 626 D C 1.092 177.406 176.300 0.022 0.000 0.992 626 D CA 1.939 55.952 54.000 0.021 0.000 0.831 626 D CB -0.075 40.735 40.800 0.016 0.000 0.973 626 D HN 0.799 nan 8.370 nan 0.000 0.447 627 D N 0.160 120.570 120.400 0.016 0.000 2.407 627 D HA -0.126 4.518 4.640 0.006 0.000 0.234 627 D C 0.643 176.954 176.300 0.018 0.000 1.029 627 D CA 0.256 54.265 54.000 0.015 0.000 0.937 627 D CB 0.039 40.844 40.800 0.008 0.000 0.882 627 D HN 0.163 nan 8.370 nan 0.000 0.531 628 I N 0.882 121.466 120.570 0.024 0.000 2.493 628 I HA 0.324 4.497 4.170 0.006 0.000 0.298 628 I C 0.157 176.305 176.117 0.053 0.000 0.998 628 I CA -0.740 60.575 61.300 0.026 0.000 1.137 628 I CB 1.728 39.736 38.000 0.013 0.000 1.310 628 I HN 0.117 nan 8.210 nan 0.000 0.445 629 Q N 4.033 123.871 119.800 0.062 0.000 2.534 629 Q HA 0.440 4.783 4.340 0.006 0.000 0.290 629 Q C -1.839 174.242 176.000 0.136 0.000 0.991 629 Q CA -0.853 55.024 55.803 0.123 0.000 0.783 629 Q CB 1.642 30.447 28.738 0.112 0.000 1.470 629 Q HN 0.325 nan 8.270 nan 0.000 0.406 630 Y N 1.957 122.287 120.300 0.050 0.000 2.480 630 Y HA 0.224 4.777 4.550 0.005 0.000 0.338 630 Y C -1.860 174.085 175.900 0.075 0.000 1.220 630 Y CA -1.084 57.053 58.100 0.061 0.000 1.430 630 Y CB 0.559 39.041 38.460 0.037 0.000 1.311 630 Y HN 0.480 nan 8.280 nan 0.000 0.575 631 P HA 0.039 nan 4.420 nan 0.000 0.274 631 P C -0.692 176.725 177.300 0.194 0.000 1.231 631 P CA -0.352 62.847 63.100 0.165 0.000 0.790 631 P CB 0.812 32.608 31.700 0.159 0.000 0.951 632 S N 1.840 117.650 115.700 0.184 0.000 2.546 632 S HA 0.143 4.616 4.470 0.006 0.000 0.290 632 S C 0.466 175.271 174.600 0.342 0.000 1.290 632 S CA 0.277 58.632 58.200 0.258 0.000 1.069 632 S CB -0.569 62.732 63.200 0.169 0.000 0.846 632 S HN 0.328 nan 8.310 nan 0.000 0.495 633 M N 3.669 123.425 119.600 0.261 0.000 2.326 633 M HA 0.450 4.933 4.480 0.006 0.000 0.306 633 M C -1.271 174.901 176.300 -0.213 0.000 1.054 633 M CA -0.720 54.616 55.300 0.059 0.000 0.922 633 M CB 1.781 34.398 32.600 0.030 0.000 1.632 633 M HN 0.413 nan 8.290 nan 0.000 0.436 634 L N 4.929 125.885 121.223 -0.445 0.000 2.342 634 L HA 0.608 4.951 4.340 0.006 0.000 0.276 634 L C -1.560 175.124 176.870 -0.310 0.000 0.997 634 L CA -0.205 54.258 54.840 -0.627 0.000 0.838 634 L CB 1.187 42.538 42.059 -1.180 0.000 1.224 634 L HN 0.668 nan 8.230 nan 0.000 0.416 635 L N 5.910 127.017 121.223 -0.194 0.000 2.307 635 L HA 0.545 4.888 4.340 0.006 0.000 0.282 635 L C -0.760 176.070 176.870 -0.066 0.000 1.051 635 L CA -0.588 54.200 54.840 -0.087 0.000 0.804 635 L CB 1.442 43.491 42.059 -0.018 0.000 1.197 635 L HN 0.522 nan 8.230 nan 0.000 0.431 636 L N 2.557 123.757 121.223 -0.038 0.000 2.385 636 L HA 0.722 5.066 4.340 0.006 0.000 0.273 636 L C -0.290 176.586 176.870 0.011 0.000 0.990 636 L CA -0.194 54.649 54.840 0.005 0.000 0.821 636 L CB 2.218 44.278 42.059 0.002 0.000 1.279 636 L HN 0.604 nan 8.230 nan 0.000 0.412 637 T N 1.407 115.969 114.554 0.013 0.000 2.786 637 T HA 0.801 5.155 4.350 0.006 0.000 0.316 637 T C -1.762 172.938 174.700 0.001 0.000 1.503 637 T CA -0.121 61.992 62.100 0.021 0.000 1.019 637 T CB 1.874 70.762 68.868 0.033 0.000 1.415 637 T HN 0.731 nan 8.240 nan 0.000 0.496 638 A N 1.090 123.930 122.820 0.034 0.000 2.387 638 A HA 0.699 5.022 4.320 0.006 0.000 0.303 638 A C 0.640 178.261 177.584 0.061 0.000 1.145 638 A CA -0.071 51.988 52.037 0.036 0.000 0.801 638 A CB 1.220 20.260 19.000 0.066 0.000 1.342 638 A HN 0.914 nan 8.150 nan 0.000 0.440 639 D N -1.004 119.443 120.400 0.079 0.000 2.317 639 D HA -0.073 4.570 4.640 0.006 0.000 0.211 639 D C 0.594 176.911 176.300 0.028 0.000 0.966 639 D CA 1.529 55.564 54.000 0.059 0.000 0.876 639 D CB -0.280 40.560 40.800 0.066 0.000 0.927 639 D HN 0.601 nan 8.370 nan 0.000 0.519 640 H N -0.454 118.644 119.070 0.047 0.000 2.505 640 H HA 0.208 4.767 4.556 0.006 0.000 0.289 640 H C -0.563 174.815 175.328 0.083 0.000 1.052 640 H CA -0.457 55.631 56.048 0.066 0.000 1.156 640 H CB 0.100 29.902 29.762 0.066 0.000 1.507 640 H HN -0.009 nan 8.280 nan 0.000 0.548 641 D N 1.284 121.777 120.400 0.155 0.000 2.383 641 D HA -0.041 4.603 4.640 0.006 0.000 0.245 641 D C 0.248 176.619 176.300 0.119 0.000 1.263 641 D CA -0.102 53.996 54.000 0.164 0.000 0.936 641 D CB 0.422 41.328 40.800 0.177 0.000 1.053 641 D HN 0.411 nan 8.370 nan 0.000 0.507 642 D N 2.310 122.774 120.400 0.107 0.000 2.339 642 D HA -0.045 4.598 4.640 0.006 0.000 0.217 642 D C 1.605 177.947 176.300 0.071 0.000 1.050 642 D CA -0.079 53.960 54.000 0.065 0.000 0.856 642 D CB 0.159 40.975 40.800 0.025 0.000 0.922 642 D HN 0.220 nan 8.370 nan 0.000 0.518 643 R N 0.937 121.483 120.500 0.076 0.000 2.055 643 R HA 0.099 4.443 4.340 0.006 0.000 0.226 643 R C 0.047 176.427 176.300 0.132 0.000 1.135 643 R CA 1.075 57.202 56.100 0.045 0.000 0.959 643 R CB -0.087 30.086 30.300 -0.211 0.000 0.854 643 R HN 0.044 nan 8.270 nan 0.000 0.431 644 V N 3.223 123.172 119.914 0.058 0.000 2.320 644 V HA 0.269 4.393 4.120 0.006 0.000 0.268 644 V C -0.425 175.803 176.094 0.223 0.000 1.021 644 V CA -1.061 61.357 62.300 0.197 0.000 0.813 644 V CB 0.829 32.665 31.823 0.021 0.000 1.054 644 V HN 0.249 nan 8.190 nan 0.000 0.444 645 V N 2.951 123.004 119.914 0.232 0.000 2.790 645 V HA 0.052 4.175 4.120 0.006 0.000 0.304 645 V C -0.993 175.164 176.094 0.104 0.000 1.142 645 V CA -0.247 62.115 62.300 0.104 0.000 1.282 645 V CB 0.080 31.875 31.823 -0.046 0.000 0.877 645 V HN 0.565 nan 8.190 nan 0.000 0.504 646 P HA -0.167 nan 4.420 nan 0.000 0.218 646 P C 1.622 178.896 177.300 -0.043 0.000 1.146 646 P CA 1.633 64.742 63.100 0.014 0.000 0.813 646 P CB -0.169 31.526 31.700 -0.007 0.000 0.778 647 L N -3.443 117.686 121.223 -0.158 0.000 2.263 647 L HA -0.187 4.156 4.340 0.006 0.000 0.216 647 L C 2.192 178.933 176.870 -0.216 0.000 1.111 647 L CA 1.942 56.623 54.840 -0.265 0.000 0.773 647 L CB -1.803 39.998 42.059 -0.430 0.000 0.906 647 L HN 0.081 nan 8.230 nan 0.000 0.439 648 H N -0.021 119.002 119.070 -0.078 0.000 2.299 648 H HA -0.028 4.531 4.556 0.005 0.000 0.302 648 H C 2.401 177.717 175.328 -0.020 0.000 1.078 648 H CA 1.774 57.800 56.048 -0.036 0.000 1.323 648 H CB -0.159 29.597 29.762 -0.009 0.000 1.381 648 H HN 0.470 nan 8.280 nan 0.000 0.498 649 S N 0.665 116.444 115.700 0.132 0.000 2.368 649 S HA -0.060 4.414 4.470 0.006 0.000 0.224 649 S C 2.507 177.149 174.600 0.070 0.000 1.029 649 S CA 0.423 58.691 58.200 0.113 0.000 0.988 649 S CB -0.242 63.004 63.200 0.077 0.000 0.838 649 S HN 0.204 nan 8.310 nan 0.000 0.462 650 L N 1.387 122.606 121.223 -0.006 0.000 1.990 650 L HA -0.222 4.121 4.340 0.006 0.000 0.213 650 L C 2.532 179.248 176.870 -0.256 0.000 1.072 650 L CA 1.486 56.269 54.840 -0.095 0.000 0.755 650 L CB -0.603 41.306 42.059 -0.250 0.000 0.889 650 L HN 0.289 nan 8.230 nan 0.000 0.432 651 K N -0.753 119.495 120.400 -0.253 0.000 2.057 651 K HA -0.189 4.134 4.320 0.006 0.000 0.206 651 K C 2.116 178.647 176.600 -0.115 0.000 1.050 651 K CA 1.299 57.436 56.287 -0.249 0.000 0.935 651 K CB -0.383 32.027 32.500 -0.149 0.000 0.715 651 K HN 0.108 nan 8.250 nan 0.000 0.439 652 F N 1.958 121.809 119.950 -0.166 0.000 2.216 652 F HA -0.174 4.356 4.527 0.005 0.000 0.300 652 F C 2.052 177.759 175.800 -0.154 0.000 1.085 652 F CA 0.674 58.591 58.000 -0.139 0.000 1.326 652 F CB -0.211 38.729 39.000 -0.101 0.000 1.027 652 F HN -0.112 nan 8.300 nan 0.000 0.497 653 I N 0.260 120.712 120.570 -0.196 0.000 2.353 653 I HA -0.042 4.131 4.170 0.006 0.000 0.248 653 I C 2.386 178.309 176.117 -0.324 0.000 1.119 653 I CA 1.465 62.589 61.300 -0.293 0.000 1.417 653 I CB -1.005 36.921 38.000 -0.124 0.000 1.078 653 I HN 0.086 nan 8.210 nan 0.000 0.421 654 A N -0.718 121.904 122.820 -0.330 0.000 1.902 654 A HA -0.212 4.111 4.320 0.006 0.000 0.217 654 A C 2.343 179.619 177.584 -0.513 0.000 1.181 654 A CA 2.458 54.181 52.037 -0.523 0.000 0.623 654 A CB -1.391 16.909 19.000 -1.166 0.000 0.818 654 A HN 0.445 nan 8.150 nan 0.000 0.443 655 T N 0.400 114.700 114.554 -0.423 0.000 2.708 655 T HA -0.110 4.243 4.350 0.006 0.000 0.266 655 T C 1.834 176.417 174.700 -0.196 0.000 1.037 655 T CA 1.493 63.512 62.100 -0.135 0.000 1.146 655 T CB -0.384 68.437 68.868 -0.080 0.000 0.865 655 T HN 0.357 nan 8.240 nan 0.000 0.435 656 L N 0.781 121.747 121.223 -0.427 0.000 1.994 656 L HA -0.174 4.170 4.340 0.006 0.000 0.208 656 L C 2.943 179.608 176.870 -0.342 0.000 1.071 656 L CA 1.522 56.075 54.840 -0.478 0.000 0.745 656 L CB -0.589 41.089 42.059 -0.636 0.000 0.892 656 L HN 0.343 nan 8.230 nan 0.000 0.431 657 Q N -1.485 118.099 119.800 -0.360 0.000 2.234 657 Q HA -0.261 4.082 4.340 0.006 0.000 0.206 657 Q C 1.874 177.834 176.000 -0.066 0.000 0.980 657 Q CA 1.823 57.421 55.803 -0.341 0.000 0.869 657 Q CB -0.259 28.156 28.738 -0.540 0.000 0.912 657 Q HN 0.517 nan 8.270 nan 0.000 0.436 658 Y N 1.128 121.352 120.300 -0.127 0.000 2.163 658 Y HA -0.121 4.432 4.550 0.005 0.000 0.288 658 Y C 2.020 177.904 175.900 -0.026 0.000 1.112 658 Y CA 1.145 59.233 58.100 -0.020 0.000 1.104 658 Y CB 0.030 38.524 38.460 0.058 0.000 1.016 658 Y HN -0.070 nan 8.280 nan 0.000 0.497 659 I N -0.702 119.936 120.570 0.114 0.000 2.142 659 I HA -0.227 3.946 4.170 0.006 0.000 0.240 659 I C 2.026 178.075 176.117 -0.113 0.000 1.078 659 I CA 1.569 62.875 61.300 0.010 0.000 1.343 659 I CB -1.094 36.933 38.000 0.044 0.000 1.046 659 I HN 0.183 nan 8.210 nan 0.000 0.405 660 V N 0.800 120.598 119.914 -0.193 0.000 2.685 660 V HA 0.103 4.226 4.120 0.006 0.000 0.244 660 V C 2.607 178.623 176.094 -0.130 0.000 1.054 660 V CA 1.325 63.486 62.300 -0.231 0.000 1.076 660 V CB -0.682 30.797 31.823 -0.573 0.000 0.725 660 V HN 0.457 nan 8.190 nan 0.000 0.467 661 G N 0.524 109.254 108.800 -0.116 0.000 2.418 661 G HA2 -0.273 3.691 3.960 0.006 0.000 0.217 661 G HA3 -0.273 3.691 3.960 0.006 0.000 0.217 661 G C 1.805 176.768 174.900 0.104 0.000 1.158 661 G CA 1.230 46.358 45.100 0.048 0.000 0.771 661 G HN 0.525 nan 8.290 nan 0.000 0.545 662 R N 0.817 121.313 120.500 -0.006 0.000 2.235 662 R HA 0.276 4.620 4.340 0.006 0.000 0.213 662 R C 1.920 178.186 176.300 -0.055 0.000 1.059 662 R CA 1.239 57.312 56.100 -0.045 0.000 0.997 662 R CB -1.197 28.998 30.300 -0.174 0.000 0.884 662 R HN 0.690 nan 8.270 nan 0.000 0.462 663 S N -1.422 114.248 115.700 -0.051 0.000 2.589 663 S HA 0.414 4.887 4.470 0.006 0.000 0.265 663 S C 1.523 176.116 174.600 -0.012 0.000 1.342 663 S CA 0.142 58.323 58.200 -0.032 0.000 1.005 663 S CB 1.353 64.541 63.200 -0.019 0.000 0.909 663 S HN 0.701 nan 8.310 nan 0.000 0.555 664 R N 1.320 121.816 120.500 -0.008 0.000 2.210 664 R HA 0.141 4.484 4.340 0.006 0.000 0.203 664 R C 1.983 178.289 176.300 0.009 0.000 1.010 664 R CA 1.378 57.477 56.100 -0.003 0.000 1.008 664 R CB -1.293 29.004 30.300 -0.005 0.000 0.923 664 R HN 0.977 nan 8.270 nan 0.000 0.469 665 K N 0.373 120.783 120.400 0.017 0.000 2.525 665 K HA -0.021 4.302 4.320 0.006 0.000 0.192 665 K C 0.861 177.487 176.600 0.042 0.000 1.029 665 K CA 0.554 56.858 56.287 0.028 0.000 1.029 665 K CB 0.257 32.776 32.500 0.032 0.000 0.814 665 K HN 0.355 nan 8.250 nan 0.000 0.503 666 Q N 1.526 121.353 119.800 0.044 0.000 2.456 666 Q HA 0.195 4.539 4.340 0.006 0.000 0.234 666 Q C -0.362 175.673 176.000 0.059 0.000 1.061 666 Q CA -0.278 55.564 55.803 0.065 0.000 0.896 666 Q CB 0.746 29.525 28.738 0.068 0.000 1.233 666 Q HN 0.209 nan 8.270 nan 0.000 0.506 667 N N 2.502 121.239 118.700 0.061 0.000 2.395 667 N HA 0.004 4.748 4.740 0.006 0.000 0.175 667 N C -0.343 175.214 175.510 0.078 0.000 1.029 667 N CA 0.197 53.280 53.050 0.054 0.000 0.897 667 N CB 0.168 38.682 38.487 0.045 0.000 0.991 667 N HN 0.463 nan 8.380 nan 0.000 0.441 668 N N 2.760 121.518 118.700 0.096 0.000 2.492 668 N HA 0.133 4.876 4.740 0.006 0.000 0.260 668 N C -2.392 173.204 175.510 0.143 0.000 1.215 668 N CA -0.672 52.447 53.050 0.116 0.000 0.923 668 N CB 0.434 38.996 38.487 0.125 0.000 1.092 668 N HN 0.106 nan 8.380 nan 0.000 0.448 669 P HA 0.235 nan 4.420 nan 0.000 0.275 669 P C -0.555 176.817 177.300 0.120 0.000 1.228 669 P CA -0.089 63.102 63.100 0.152 0.000 0.786 669 P CB 0.733 32.445 31.700 0.020 0.000 0.927 670 L N 2.971 124.220 121.223 0.042 0.000 2.433 670 L HA 0.419 4.763 4.340 0.006 0.000 0.256 670 L C -0.190 176.514 176.870 -0.277 0.000 1.063 670 L CA -0.255 54.486 54.840 -0.165 0.000 0.922 670 L CB 0.259 42.126 42.059 -0.321 0.000 1.238 670 L HN 0.200 nan 8.230 nan 0.000 0.466 671 L N 2.524 123.610 121.223 -0.227 0.000 2.304 671 L HA 0.651 4.995 4.340 0.006 0.000 0.268 671 L C -0.413 176.320 176.870 -0.228 0.000 1.010 671 L CA -0.780 53.913 54.840 -0.245 0.000 0.813 671 L CB 2.721 44.614 42.059 -0.277 0.000 1.315 671 L HN 0.358 nan 8.230 nan 0.000 0.445 672 I N -0.081 120.388 120.570 -0.169 0.000 2.894 672 I HA 0.367 4.540 4.170 0.006 0.000 0.302 672 I C -1.781 174.325 176.117 -0.019 0.000 1.188 672 I CA -0.414 60.824 61.300 -0.104 0.000 1.014 672 I CB 2.623 40.568 38.000 -0.091 0.000 1.242 672 I HN 0.692 nan 8.210 nan 0.000 0.430 673 H N 5.251 124.262 119.070 -0.099 0.000 3.108 673 H HA 0.543 5.102 4.556 0.006 0.000 0.329 673 H C -1.688 173.621 175.328 -0.032 0.000 0.978 673 H CA -0.450 55.559 56.048 -0.066 0.000 1.413 673 H CB 1.440 31.159 29.762 -0.071 0.000 1.670 673 H HN 0.166 nan 8.280 nan 0.000 0.512 674 V N 3.204 122.853 119.914 -0.440 0.000 2.311 674 V HA 0.300 4.423 4.120 0.006 0.000 0.275 674 V C 0.408 176.266 176.094 -0.392 0.000 1.022 674 V CA -0.967 61.154 62.300 -0.299 0.000 0.830 674 V CB 0.802 32.553 31.823 -0.120 0.000 1.012 674 V HN 0.723 nan 8.190 nan 0.000 0.452 675 D N 3.957 124.184 120.400 -0.289 0.000 2.339 675 D HA 0.448 5.092 4.640 0.006 0.000 0.245 675 D C 0.403 176.680 176.300 -0.037 0.000 1.115 675 D CA 0.203 54.113 54.000 -0.150 0.000 0.917 675 D CB 1.695 42.478 40.800 -0.027 0.000 1.192 675 D HN 0.847 nan 8.370 nan 0.000 0.428 676 T N -0.729 113.825 114.554 -0.000 0.000 2.855 676 T HA 0.452 4.806 4.350 0.006 0.000 0.281 676 T C 0.221 174.940 174.700 0.032 0.000 1.007 676 T CA -0.848 61.279 62.100 0.044 0.000 1.009 676 T CB 1.483 70.374 68.868 0.037 0.000 0.983 676 T HN 0.537 nan 8.240 nan 0.000 0.455 677 K N -0.685 119.733 120.400 0.029 0.000 3.391 677 K HA -0.086 4.237 4.320 0.006 0.000 0.307 677 K C -0.046 176.501 176.600 -0.088 0.000 1.304 677 K CA 0.776 56.982 56.287 -0.135 0.000 0.904 677 K CB -1.733 30.713 32.500 -0.090 0.000 1.293 677 K HN 1.060 nan 8.250 nan 0.000 0.470 678 A N -0.063 122.767 122.820 0.017 0.000 2.401 678 A HA 0.808 5.131 4.320 0.006 0.000 0.310 678 A C 0.422 178.074 177.584 0.113 0.000 1.075 678 A CA 0.002 52.066 52.037 0.045 0.000 0.746 678 A CB 1.810 20.834 19.000 0.041 0.000 1.277 678 A HN 0.223 nan 8.150 nan 0.000 0.425 679 G N -0.940 107.927 108.800 0.112 0.000 2.890 679 G HA2 0.386 4.349 3.960 0.006 0.000 0.189 679 G HA3 0.386 4.349 3.960 0.006 0.000 0.189 679 G C 0.621 175.614 174.900 0.154 0.000 1.342 679 G CA 0.157 45.353 45.100 0.160 0.000 1.026 679 G HN 0.928 nan 8.290 nan 0.000 0.579 680 H N -0.930 118.187 119.070 0.078 0.000 2.492 680 H HA 0.055 4.615 4.556 0.006 0.000 0.296 680 H C 1.831 177.188 175.328 0.048 0.000 1.095 680 H CA 2.545 58.630 56.048 0.063 0.000 1.281 680 H CB 0.150 29.955 29.762 0.072 0.000 1.374 680 H HN 0.754 nan 8.280 nan 0.000 0.545 681 G N -1.996 106.793 108.800 -0.018 0.000 3.967 681 G HA2 -0.044 3.920 3.960 0.006 0.000 0.210 681 G HA3 -0.044 3.920 3.960 0.006 0.000 0.210 681 G C 0.312 175.204 174.900 -0.012 0.000 1.127 681 G CA -0.104 44.949 45.100 -0.079 0.000 0.887 681 G HN 0.607 nan 8.290 nan 0.000 0.367 682 A N 0.619 123.454 122.820 0.025 0.000 2.498 682 A HA 0.563 4.886 4.320 0.006 0.000 0.239 682 A C 1.951 179.559 177.584 0.039 0.000 1.068 682 A CA 1.825 53.884 52.037 0.036 0.000 0.766 682 A CB -0.246 18.790 19.000 0.059 0.000 1.003 682 A HN 2.446 nan 8.150 nan 0.000 0.497 683 G N 0.715 109.533 108.800 0.030 0.000 2.184 683 G HA2 -0.308 3.655 3.960 0.006 0.000 0.264 683 G HA3 -0.308 3.655 3.960 0.006 0.000 0.264 683 G C 0.405 175.322 174.900 0.027 0.000 0.975 683 G CA 0.882 46.001 45.100 0.031 0.000 0.642 683 G HN 1.213 nan 8.290 nan 0.000 0.536 684 K N 2.136 122.550 120.400 0.022 0.000 2.453 684 K HA 0.313 4.636 4.320 0.006 0.000 0.280 684 K C -1.478 175.133 176.600 0.018 0.000 1.045 684 K CA -0.821 55.476 56.287 0.017 0.000 1.059 684 K CB 0.580 33.086 32.500 0.010 0.000 0.901 684 K HN 0.192 nan 8.250 nan 0.000 0.475 685 P HA -0.033 nan 4.420 nan 0.000 0.269 685 P C 0.155 177.465 177.300 0.018 0.000 1.209 685 P CA -0.224 62.888 63.100 0.020 0.000 0.776 685 P CB 0.920 32.630 31.700 0.016 0.000 0.876 686 T N 2.455 117.028 114.554 0.033 0.000 2.565 686 T HA -0.307 4.046 4.350 0.006 0.000 0.265 686 T C 1.872 176.570 174.700 -0.003 0.000 1.082 686 T CA 2.685 64.807 62.100 0.037 0.000 1.173 686 T CB -1.117 67.810 68.868 0.098 0.000 0.864 686 T HN 0.577 nan 8.240 nan 0.000 0.425 687 A N 1.684 124.512 122.820 0.012 0.000 1.896 687 A HA -0.315 4.008 4.320 0.006 0.000 0.220 687 A C 2.270 179.855 177.584 0.001 0.000 1.206 687 A CA 2.539 54.581 52.037 0.008 0.000 0.647 687 A CB -0.755 18.253 19.000 0.014 0.000 0.828 687 A HN 0.566 nan 8.150 nan 0.000 0.455 688 K N -0.906 119.498 120.400 0.005 0.000 2.097 688 K HA -0.048 4.275 4.320 0.006 0.000 0.206 688 K C 1.925 178.524 176.600 -0.003 0.000 1.049 688 K CA 1.270 57.564 56.287 0.011 0.000 0.933 688 K CB -0.365 32.145 32.500 0.017 0.000 0.717 688 K HN 0.323 nan 8.250 nan 0.000 0.442 689 V N 1.901 121.799 119.914 -0.028 0.000 2.255 689 V HA -0.299 3.824 4.120 0.006 0.000 0.247 689 V C 2.187 178.237 176.094 -0.073 0.000 1.051 689 V CA 1.797 64.060 62.300 -0.061 0.000 1.018 689 V CB -0.359 31.393 31.823 -0.118 0.000 0.641 689 V HN 0.306 nan 8.190 nan 0.000 0.445 690 I N -0.210 120.299 120.570 -0.101 0.000 2.127 690 I HA -0.245 3.929 4.170 0.006 0.000 0.241 690 I C 2.675 178.804 176.117 0.019 0.000 1.075 690 I CA 1.611 62.875 61.300 -0.060 0.000 1.334 690 I CB -0.555 37.414 38.000 -0.051 0.000 1.040 690 I HN 0.398 nan 8.210 nan 0.000 0.405 691 E N 0.472 120.679 120.200 0.012 0.000 2.130 691 E HA -0.307 4.046 4.350 0.006 0.000 0.196 691 E C 1.907 178.512 176.600 0.008 0.000 0.998 691 E CA 1.498 57.910 56.400 0.019 0.000 0.806 691 E CB -0.311 29.402 29.700 0.022 0.000 0.738 691 E HN 0.612 nan 8.360 nan 0.000 0.459 692 E N 0.797 121.004 120.200 0.011 0.000 2.015 692 E HA -0.152 4.202 4.350 0.006 0.000 0.191 692 E C 2.324 178.924 176.600 0.001 0.000 0.991 692 E CA 1.714 58.116 56.400 0.003 0.000 0.802 692 E CB 0.077 29.785 29.700 0.013 0.000 0.759 692 E HN 0.154 nan 8.360 nan 0.000 0.447 693 V N -0.818 119.127 119.914 0.051 0.000 2.469 693 V HA -0.202 3.921 4.120 0.006 0.000 0.251 693 V C 2.205 178.299 176.094 0.001 0.000 1.064 693 V CA 2.006 64.388 62.300 0.137 0.000 1.066 693 V CB -0.657 31.335 31.823 0.283 0.000 0.667 693 V HN 0.121 nan 8.190 nan 0.000 0.461 694 S N 0.598 116.280 115.700 -0.030 0.000 2.382 694 S HA -0.173 4.300 4.470 0.006 0.000 0.228 694 S C 1.667 176.202 174.600 -0.109 0.000 1.027 694 S CA 1.749 59.875 58.200 -0.124 0.000 0.991 694 S CB -0.494 62.744 63.200 0.063 0.000 0.823 694 S HN 0.741 nan 8.310 nan 0.000 0.469 695 D N 1.528 121.888 120.400 -0.066 0.000 2.075 695 D HA -0.017 4.627 4.640 0.006 0.000 0.196 695 D C 2.014 178.299 176.300 -0.026 0.000 0.985 695 D CA 0.954 54.923 54.000 -0.052 0.000 0.834 695 D CB -0.493 40.229 40.800 -0.130 0.000 0.987 695 D HN 0.300 nan 8.370 nan 0.000 0.452 696 M N -0.380 119.159 119.600 -0.102 0.000 2.128 696 M HA -0.235 4.249 4.480 0.006 0.000 0.253 696 M C 2.039 178.203 176.300 -0.227 0.000 1.079 696 M CA 1.661 56.844 55.300 -0.196 0.000 1.082 696 M CB -0.486 31.906 32.600 -0.348 0.000 1.335 696 M HN 0.010 nan 8.290 nan 0.000 0.401 697 F N -0.889 118.992 119.950 -0.116 0.000 2.569 697 F HA 0.130 4.661 4.527 0.006 0.000 0.295 697 F C 2.476 178.282 175.800 0.010 0.000 1.115 697 F CA 0.586 58.531 58.000 -0.092 0.000 1.450 697 F CB -0.467 38.284 39.000 -0.414 0.000 1.107 697 F HN 0.073 nan 8.300 nan 0.000 0.563 698 A N 0.203 123.095 122.820 0.121 0.000 1.872 698 A HA -0.182 4.141 4.320 0.006 0.000 0.214 698 A C 2.014 179.710 177.584 0.186 0.000 1.187 698 A CA 1.155 53.269 52.037 0.129 0.000 0.614 698 A CB -1.294 17.751 19.000 0.075 0.000 0.826 698 A HN 0.371 nan 8.150 nan 0.000 0.442 699 F N 1.117 121.117 119.950 0.082 0.000 2.087 699 F HA -0.262 4.268 4.527 0.005 0.000 0.299 699 F C 1.947 177.837 175.800 0.149 0.000 1.100 699 F CA 2.041 60.125 58.000 0.141 0.000 1.226 699 F CB -0.361 38.677 39.000 0.062 0.000 0.983 699 F HN 0.210 nan 8.300 nan 0.000 0.479 700 I N 0.232 120.881 120.570 0.132 0.000 2.163 700 I HA -0.345 3.828 4.170 0.006 0.000 0.243 700 I C 2.723 178.892 176.117 0.088 0.000 1.085 700 I CA 1.327 62.678 61.300 0.086 0.000 1.347 700 I CB -1.088 37.073 38.000 0.268 0.000 1.044 700 I HN 0.283 nan 8.210 nan 0.000 0.408 701 A N 0.769 123.689 122.820 0.166 0.000 1.902 701 A HA -0.256 4.068 4.320 0.006 0.000 0.217 701 A C 2.395 180.016 177.584 0.062 0.000 1.181 701 A CA 2.033 54.166 52.037 0.160 0.000 0.623 701 A CB -0.607 18.515 19.000 0.202 0.000 0.818 701 A HN 0.347 nan 8.150 nan 0.000 0.443 702 R N -1.005 119.499 120.500 0.007 0.000 2.092 702 R HA -0.085 4.259 4.340 0.006 0.000 0.231 702 R C 2.066 178.327 176.300 -0.065 0.000 1.119 702 R CA 1.846 57.919 56.100 -0.045 0.000 0.970 702 R CB -0.813 29.434 30.300 -0.090 0.000 0.864 702 R HN 0.536 nan 8.270 nan 0.000 0.440 703 C N -0.141 119.063 119.300 -0.159 0.000 2.489 703 C HA 0.063 4.527 4.460 0.006 0.000 0.279 703 C C 2.071 177.024 174.990 -0.061 0.000 1.266 703 C CA 0.447 59.353 59.018 -0.186 0.000 1.707 703 C CB -0.588 26.859 27.740 -0.487 0.000 2.059 703 C HN 0.496 nan 8.230 nan 0.000 0.481 704 L N 0.367 121.580 121.223 -0.016 0.000 2.592 704 L HA 0.141 4.484 4.340 0.006 0.000 0.227 704 L C 0.542 177.443 176.870 0.052 0.000 1.127 704 L CA 0.389 55.254 54.840 0.042 0.000 0.884 704 L CB -1.174 40.942 42.059 0.095 0.000 1.065 704 L HN 0.560 nan 8.230 nan 0.000 0.457 705 N N 1.417 120.141 118.700 0.039 0.000 2.708 705 N HA -0.178 4.565 4.740 0.006 0.000 0.255 705 N C -0.406 175.147 175.510 0.072 0.000 1.046 705 N CA -0.141 52.936 53.050 0.045 0.000 0.715 705 N CB -0.517 37.990 38.487 0.032 0.000 0.895 705 N HN 0.304 nan 8.380 nan 0.000 0.545 706 I N 0.586 121.219 120.570 0.105 0.000 2.353 706 I HA 0.214 4.387 4.170 0.006 0.000 0.293 706 I C 0.692 176.901 176.117 0.153 0.000 0.992 706 I CA -0.701 60.678 61.300 0.133 0.000 1.268 706 I CB 1.123 39.232 38.000 0.182 0.000 1.387 706 I HN 0.173 nan 8.210 nan 0.000 0.478 707 D N 4.973 125.455 120.400 0.136 0.000 2.398 707 D HA 0.128 4.772 4.640 0.006 0.000 0.247 707 D C -0.864 175.588 176.300 0.253 0.000 1.227 707 D CA -0.031 54.069 54.000 0.166 0.000 0.980 707 D CB 1.086 41.954 40.800 0.114 0.000 1.106 707 D HN 0.407 nan 8.370 nan 0.000 0.493 708 W N 1.973 123.310 121.300 0.061 0.000 2.529 708 W HA 0.475 5.138 4.660 0.006 0.000 0.321 708 W C -1.431 175.135 176.519 0.077 0.000 1.047 708 W CA -0.679 56.712 57.345 0.075 0.000 1.216 708 W CB 0.633 30.131 29.460 0.063 0.000 1.357 708 W HN 0.199 nan 8.180 nan 0.000 0.489 709 I N 8.701 128.914 120.570 -0.595 0.000 2.328 709 I HA 0.190 4.363 4.170 0.006 0.000 0.287 709 I C -1.800 173.989 176.117 -0.548 0.000 1.012 709 I CA -2.032 59.002 61.300 -0.443 0.000 1.195 709 I CB 1.312 39.133 38.000 -0.298 0.000 1.350 709 I HN 0.100 nan 8.210 nan 0.000 0.464 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 710 P CB 0.000 31.750 31.700 0.084 0.000 0.726