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 3iam_1_C DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLPXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKYXXXXXXE DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERKGA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAELWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAAGLR VEGRVLV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.274 176.300 -0.044 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.062 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.068 0.000 1.302 2 V N 1.666 121.554 119.914 -0.044 0.000 2.481 2 V HA 0.495 4.615 4.120 -0.000 0.000 0.286 2 V C -0.123 175.959 176.094 -0.019 0.000 1.042 2 V CA -0.556 61.726 62.300 -0.030 0.000 0.928 2 V CB 1.576 33.382 31.823 -0.029 0.000 0.986 2 V HN 0.746 nan 8.190 nan 0.000 0.462 3 R N 3.478 123.969 120.500 -0.014 0.000 2.296 3 R HA 0.521 4.861 4.340 -0.000 0.000 0.327 3 R C -1.062 175.234 176.300 -0.005 0.000 1.137 3 R CA -0.007 56.090 56.100 -0.005 0.000 1.020 3 R CB 0.533 30.829 30.300 -0.007 0.000 1.110 3 R HN 0.601 nan 8.270 nan 0.000 0.499 4 V N 4.335 124.254 119.914 0.008 0.000 2.547 4 V HA 0.337 4.456 4.120 -0.000 0.000 0.299 4 V C -0.207 175.898 176.094 0.018 0.000 1.040 4 V CA -0.757 61.546 62.300 0.005 0.000 0.913 4 V CB 1.836 33.666 31.823 0.011 0.000 0.992 4 V HN 0.581 nan 8.190 nan 0.000 0.449 5 K N 3.822 124.221 120.400 -0.001 0.000 2.389 5 K HA 0.510 4.830 4.320 -0.000 0.000 0.261 5 K C -0.017 176.579 176.600 -0.006 0.000 1.014 5 K CA -0.441 55.850 56.287 0.006 0.000 0.920 5 K CB 1.452 33.945 32.500 -0.011 0.000 1.149 5 K HN 0.462 nan 8.250 nan 0.000 0.444 6 V N 3.588 123.507 119.914 0.008 0.000 2.263 6 V HA -0.192 3.927 4.120 -0.000 0.000 0.188 6 V C 1.733 177.741 176.094 -0.143 0.000 0.949 6 V CA 0.903 63.176 62.300 -0.045 0.000 1.133 6 V CB -0.326 31.501 31.823 0.005 0.000 0.705 6 V HN 0.809 nan 8.190 nan 0.000 0.463 7 N N 0.648 119.126 118.700 -0.370 0.000 2.124 7 N HA -0.070 4.670 4.740 -0.000 0.000 0.189 7 N C 1.291 176.691 175.510 -0.184 0.000 1.050 7 N CA 1.923 54.699 53.050 -0.458 0.000 0.848 7 N CB -0.246 37.567 38.487 -1.123 0.000 1.027 7 N HN 0.830 nan 8.380 nan 0.000 0.435 8 D N -1.597 118.745 120.400 -0.096 0.000 2.514 8 D HA 0.098 4.738 4.640 -0.000 0.000 0.225 8 D C 0.448 176.793 176.300 0.075 0.000 1.159 8 D CA -0.152 53.863 54.000 0.024 0.000 0.823 8 D CB 0.255 41.093 40.800 0.063 0.000 1.097 8 D HN -0.075 nan 8.370 nan 0.000 0.519 9 R N 0.459 121.036 120.500 0.128 0.000 2.297 9 R HA 0.520 4.860 4.340 -0.000 0.000 0.308 9 R C -0.958 175.410 176.300 0.112 0.000 1.029 9 R CA -0.665 55.533 56.100 0.163 0.000 0.929 9 R CB 0.643 31.121 30.300 0.297 0.000 1.046 9 R HN -0.034 nan 8.270 nan 0.000 0.461 10 I N 4.045 124.668 120.570 0.088 0.000 2.428 10 I HA 0.295 4.465 4.170 -0.000 0.000 0.296 10 I C -0.585 175.591 176.117 0.098 0.000 0.985 10 I CA -0.350 60.994 61.300 0.073 0.000 1.260 10 I CB 1.994 40.023 38.000 0.048 0.000 1.389 10 I HN 0.244 nan 8.210 nan 0.000 0.484 11 V N 4.388 124.366 119.914 0.106 0.000 2.808 11 V HA 0.381 4.501 4.120 -0.000 0.000 0.308 11 V C -0.258 175.900 176.094 0.107 0.000 1.099 11 V CA -1.071 61.321 62.300 0.153 0.000 0.920 11 V CB 1.682 33.665 31.823 0.267 0.000 1.014 11 V HN 0.637 nan 8.190 nan 0.000 0.425 12 E N 1.412 121.671 120.200 0.099 0.000 2.392 12 E HA 0.643 4.993 4.350 -0.000 0.000 0.259 12 E C -0.955 175.638 176.600 -0.012 0.000 1.108 12 E CA -0.175 56.248 56.400 0.038 0.000 0.916 12 E CB 2.027 31.747 29.700 0.033 0.000 0.989 12 E HN 0.424 nan 8.360 nan 0.000 0.432 13 V N 2.882 122.757 119.914 -0.064 0.000 3.022 13 V HA 0.166 4.286 4.120 -0.000 0.000 0.272 13 V C -2.614 173.392 176.094 -0.146 0.000 1.584 13 V CA -1.527 60.697 62.300 -0.126 0.000 0.974 13 V CB 2.385 34.183 31.823 -0.041 0.000 1.219 13 V HN 0.539 nan 8.190 nan 0.000 0.450 14 P HA 0.239 nan 4.420 nan 0.000 0.270 14 P C -2.260 174.977 177.300 -0.105 0.000 1.223 14 P CA -0.830 62.128 63.100 -0.236 0.000 0.785 14 P CB 0.234 31.686 31.700 -0.414 0.000 0.923 15 P HA -0.146 nan 4.420 nan 0.000 0.216 15 P C 1.187 178.477 177.300 -0.016 0.000 1.153 15 P CA 1.721 64.797 63.100 -0.040 0.000 0.858 15 P CB -0.550 31.127 31.700 -0.038 0.000 0.789 16 G N 0.161 108.955 108.800 -0.010 0.000 3.471 16 G HA2 0.170 4.130 3.960 -0.000 0.000 0.254 16 G HA3 0.170 4.130 3.960 -0.000 0.000 0.254 16 G C -0.226 174.708 174.900 0.057 0.000 1.199 16 G CA 0.019 45.130 45.100 0.019 0.000 1.683 16 G HN 0.158 nan 8.290 nan 0.000 0.625 17 T N 0.488 115.074 114.554 0.054 0.000 2.855 17 T HA 0.494 4.844 4.350 -0.000 0.000 0.281 17 T C 0.524 175.240 174.700 0.027 0.000 1.007 17 T CA -0.458 61.694 62.100 0.086 0.000 1.009 17 T CB 1.675 70.619 68.868 0.126 0.000 0.983 17 T HN 0.362 nan 8.240 nan 0.000 0.455 18 S N 1.484 117.182 115.700 -0.003 0.000 2.580 18 S HA 0.207 4.677 4.470 -0.000 0.000 0.274 18 S C 1.432 176.008 174.600 -0.039 0.000 1.329 18 S CA -0.819 57.371 58.200 -0.017 0.000 1.036 18 S CB 0.770 63.965 63.200 -0.009 0.000 0.919 18 S HN 0.400 nan 8.310 nan 0.000 0.515 19 V N 2.834 122.730 119.914 -0.031 0.000 2.594 19 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 19 V C 2.349 178.396 176.094 -0.078 0.000 1.069 19 V CA 1.788 64.062 62.300 -0.043 0.000 1.082 19 V CB -1.037 30.765 31.823 -0.035 0.000 0.680 19 V HN 0.889 nan 8.190 nan 0.000 0.469 20 M N -0.188 119.366 119.600 -0.076 0.000 2.091 20 M HA -0.179 4.300 4.480 -0.000 0.000 0.259 20 M C 2.029 178.248 176.300 -0.134 0.000 1.076 20 M CA 2.066 57.302 55.300 -0.107 0.000 1.111 20 M CB -0.538 32.068 32.600 0.010 0.000 1.291 20 M HN 0.284 nan 8.290 nan 0.000 0.417 21 D N 0.344 120.669 120.400 -0.125 0.000 2.311 21 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 21 D C 1.673 177.897 176.300 -0.126 0.000 0.972 21 D CA 1.133 54.996 54.000 -0.229 0.000 0.887 21 D CB -0.111 40.351 40.800 -0.563 0.000 0.915 21 D HN 0.388 nan 8.370 nan 0.000 0.497 22 A N 0.345 123.116 122.820 -0.082 0.000 1.872 22 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 22 A C 2.465 180.082 177.584 0.056 0.000 1.187 22 A CA 0.892 52.940 52.037 0.019 0.000 0.614 22 A CB -0.551 18.446 19.000 -0.004 0.000 0.826 22 A HN 0.156 nan 8.150 nan 0.000 0.442 23 V N -1.302 118.575 119.914 -0.061 0.000 2.667 23 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 23 V C 2.189 178.211 176.094 -0.121 0.000 1.065 23 V CA 1.429 63.668 62.300 -0.101 0.000 1.083 23 V CB -0.864 30.814 31.823 -0.241 0.000 0.692 23 V HN 0.511 nan 8.190 nan 0.000 0.468 24 F N -0.065 119.791 119.950 -0.156 0.000 2.234 24 F HA -0.001 4.525 4.527 -0.000 0.000 0.296 24 F C 2.372 178.110 175.800 -0.103 0.000 1.089 24 F CA 1.472 59.263 58.000 -0.349 0.000 1.343 24 F CB -0.821 37.537 39.000 -1.069 0.000 1.040 24 F HN 0.254 nan 8.300 nan 0.000 0.498 25 H N -0.174 119.023 119.070 0.211 0.000 2.421 25 H HA -0.036 4.520 4.556 -0.000 0.000 0.298 25 H C 2.133 177.585 175.328 0.207 0.000 1.087 25 H CA 1.440 57.686 56.048 0.330 0.000 1.330 25 H CB 0.007 29.974 29.762 0.342 0.000 1.388 25 H HN 0.116 nan 8.280 nan 0.000 0.526 26 A N -1.217 121.733 122.820 0.217 0.000 2.014 26 A HA 0.211 4.531 4.320 -0.000 0.000 0.218 26 A C 2.233 179.862 177.584 0.075 0.000 1.163 26 A CA 1.505 53.647 52.037 0.175 0.000 0.652 26 A CB -0.519 18.643 19.000 0.271 0.000 0.808 26 A HN 0.748 nan 8.150 nan 0.000 0.449 27 G N -2.842 105.989 108.800 0.052 0.000 2.796 27 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.198 27 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.198 27 G C 0.383 175.222 174.900 -0.103 0.000 1.062 27 G CA -0.011 45.038 45.100 -0.085 0.000 0.752 27 G HN 0.375 nan 8.290 nan 0.000 0.487 28 Y N 2.807 123.126 120.300 0.031 0.000 2.227 28 Y HA 0.436 4.986 4.550 -0.000 0.000 0.405 28 Y C 1.184 177.059 175.900 -0.041 0.000 1.290 28 Y CA 1.098 59.201 58.100 0.004 0.000 1.892 28 Y CB 0.250 38.692 38.460 -0.029 0.000 1.626 28 Y HN 0.570 nan 8.280 nan 0.000 0.700 29 D N -2.514 117.935 120.400 0.082 0.000 2.725 29 D HA 0.491 5.131 4.640 -0.000 0.000 0.292 29 D C -1.845 174.401 176.300 -0.090 0.000 1.288 29 D CA -0.532 53.414 54.000 -0.089 0.000 0.784 29 D CB 1.466 42.474 40.800 0.348 0.000 1.308 29 D HN 0.500 nan 8.370 nan 0.000 0.429 30 V N -0.460 119.382 119.914 -0.121 0.000 3.177 30 V HA 0.469 4.589 4.120 -0.000 0.000 0.287 30 V C -2.674 173.211 176.094 -0.348 0.000 1.465 30 V CA -1.343 60.771 62.300 -0.310 0.000 1.020 30 V CB 2.101 33.711 31.823 -0.355 0.000 1.152 30 V HN 0.586 nan 8.190 nan 0.000 0.448 31 P HA 0.199 nan 4.420 nan 0.000 0.273 31 P C -1.298 175.795 177.300 -0.346 0.000 1.237 31 P CA 0.116 62.839 63.100 -0.628 0.000 0.813 31 P CB 0.213 31.520 31.700 -0.654 0.000 0.930 32 L N 1.060 122.012 121.223 -0.451 0.000 3.679 32 L HA 0.166 4.506 4.340 -0.000 0.000 0.250 32 L C -1.282 175.446 176.870 -0.237 0.000 0.994 32 L CA 0.148 54.860 54.840 -0.212 0.000 1.310 32 L CB -0.244 41.804 42.059 -0.018 0.000 1.929 32 L HN 0.263 nan 8.230 nan 0.000 0.672 33 F N 1.864 121.833 119.950 0.032 0.000 2.294 33 F HA 0.145 4.672 4.527 -0.000 0.000 0.241 33 F C 2.288 178.119 175.800 0.052 0.000 1.009 33 F CA 1.248 59.271 58.000 0.039 0.000 1.165 33 F CB -0.850 38.177 39.000 0.045 0.000 1.445 33 F HN 0.596 nan 8.300 nan 0.000 0.632 34 C N -0.121 119.363 119.300 0.306 0.000 2.411 34 C HA 0.003 4.463 4.460 -0.000 0.000 0.279 34 C C 1.437 176.526 174.990 0.164 0.000 1.288 34 C CA -0.401 58.743 59.018 0.209 0.000 1.764 34 C CB -1.696 26.152 27.740 0.180 0.000 1.974 34 C HN 0.241 nan 8.230 nan 0.000 0.498 35 S N 1.491 117.277 115.700 0.143 0.000 2.548 35 S HA 0.510 4.980 4.470 -0.000 0.000 0.277 35 S C -0.359 174.298 174.600 0.096 0.000 1.315 35 S CA 0.251 58.526 58.200 0.125 0.000 1.050 35 S CB 0.950 64.228 63.200 0.129 0.000 0.918 35 S HN 0.751 nan 8.310 nan 0.000 0.497 36 E N 1.436 121.700 120.200 0.107 0.000 2.429 36 E HA 0.370 4.720 4.350 -0.000 0.000 0.276 36 E C -1.383 175.272 176.600 0.092 0.000 0.953 36 E CA -0.825 55.619 56.400 0.073 0.000 0.787 36 E CB 0.913 30.683 29.700 0.117 0.000 1.307 36 E HN 0.396 nan 8.360 nan 0.000 0.458 37 K N 1.679 122.098 120.400 0.033 0.000 2.350 37 K HA 0.216 4.536 4.320 -0.000 0.000 0.279 37 K C -0.432 176.215 176.600 0.079 0.000 1.027 37 K CA 0.240 56.505 56.287 -0.037 0.000 0.969 37 K CB 0.076 32.498 32.500 -0.129 0.000 0.954 37 K HN 0.703 nan 8.250 nan 0.000 0.474 38 H N -1.014 118.171 119.070 0.191 0.000 3.631 38 H HA -0.205 4.351 4.556 -0.000 0.000 0.202 38 H C -0.582 174.912 175.328 0.276 0.000 1.029 38 H CA 0.677 56.874 56.048 0.248 0.000 1.208 38 H CB -1.329 28.637 29.762 0.339 0.000 1.124 38 H HN 0.373 nan 8.280 nan 0.000 0.329 39 L N 1.438 122.849 121.223 0.313 0.000 2.325 39 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 39 L C 0.565 177.537 176.870 0.169 0.000 1.023 39 L CA -0.575 54.415 54.840 0.249 0.000 0.811 39 L CB 1.571 43.787 42.059 0.262 0.000 1.249 39 L HN 0.258 nan 8.230 nan 0.000 0.431 40 S N 3.204 118.985 115.700 0.134 0.000 2.626 40 S HA 0.099 4.569 4.470 -0.000 0.000 0.303 40 S C -2.280 172.384 174.600 0.106 0.000 1.256 40 S CA -0.957 57.305 58.200 0.103 0.000 1.069 40 S CB -0.175 63.074 63.200 0.080 0.000 0.807 40 S HN 0.349 nan 8.310 nan 0.000 0.500 41 P HA 0.461 nan 4.420 nan 0.000 0.281 41 P C -0.640 176.708 177.300 0.080 0.000 1.252 41 P CA -0.424 62.733 63.100 0.094 0.000 0.778 41 P CB 0.543 32.295 31.700 0.087 0.000 0.895 42 I N 0.878 121.498 120.570 0.084 0.000 3.145 42 I HA 0.548 4.718 4.170 -0.000 0.000 0.313 42 I C 0.864 177.020 176.117 0.066 0.000 1.122 42 I CA -1.050 60.292 61.300 0.069 0.000 0.987 42 I CB 2.019 40.063 38.000 0.073 0.000 1.236 42 I HN 0.237 nan 8.210 nan 0.000 0.453 43 G N 1.058 109.887 108.800 0.049 0.000 3.963 43 G HA2 0.543 4.503 3.960 -0.000 0.000 0.315 43 G HA3 0.543 4.503 3.960 -0.000 0.000 0.315 43 G C 0.293 175.218 174.900 0.041 0.000 1.254 43 G CA 0.277 45.403 45.100 0.043 0.000 1.395 43 G HN 0.812 nan 8.290 nan 0.000 0.538 44 A N 0.654 123.510 122.820 0.059 0.000 1.963 44 A HA 0.087 4.407 4.320 -0.000 0.000 0.207 44 A C 2.397 180.020 177.584 0.064 0.000 1.243 44 A CA 1.382 53.450 52.037 0.051 0.000 0.728 44 A CB -0.497 18.539 19.000 0.059 0.000 0.895 44 A HN 1.029 nan 8.150 nan 0.000 0.467 45 C N -2.154 117.212 119.300 0.110 0.000 2.468 45 C HA 0.345 4.805 4.460 -0.000 0.000 0.277 45 C C 1.218 176.280 174.990 0.120 0.000 1.400 45 C CA 0.115 59.229 59.018 0.159 0.000 1.770 45 C CB -0.965 26.962 27.740 0.311 0.000 1.905 45 C HN 0.562 nan 8.230 nan 0.000 0.519 46 R N -0.143 120.400 120.500 0.072 0.000 3.332 46 R HA -0.162 4.178 4.340 -0.000 0.000 0.263 46 R C 0.515 176.822 176.300 0.012 0.000 1.053 46 R CA 1.116 57.238 56.100 0.037 0.000 0.705 46 R CB -1.881 28.442 30.300 0.039 0.000 1.166 46 R HN 0.682 nan 8.270 nan 0.000 0.427 47 M N -1.484 118.101 119.600 -0.025 0.000 2.393 47 M HA 0.025 4.505 4.480 -0.000 0.000 0.270 47 M C 1.828 178.028 176.300 -0.167 0.000 1.127 47 M CA 0.713 55.947 55.300 -0.110 0.000 1.104 47 M CB 0.535 33.017 32.600 -0.196 0.000 1.523 47 M HN 0.440 nan 8.290 nan 0.000 0.546 48 C N 1.370 120.595 119.300 -0.125 0.000 2.454 48 C HA 0.442 4.902 4.460 -0.000 0.000 0.321 48 C C 0.923 175.846 174.990 -0.113 0.000 1.299 48 C CA -1.188 57.747 59.018 -0.138 0.000 1.683 48 C CB -2.306 25.383 27.740 -0.085 0.000 1.772 48 C HN 0.235 nan 8.230 nan 0.000 0.596 49 L N 2.003 123.167 121.223 -0.098 0.000 2.506 49 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 49 L C 0.554 177.372 176.870 -0.087 0.000 1.228 49 L CA 0.468 55.264 54.840 -0.074 0.000 0.850 49 L CB 0.245 42.265 42.059 -0.065 0.000 1.110 49 L HN 0.462 nan 8.230 nan 0.000 0.496 50 V N 0.601 120.478 119.914 -0.061 0.000 3.182 50 V HA 0.627 4.747 4.120 -0.000 0.000 0.308 50 V C -0.659 175.424 176.094 -0.018 0.000 1.240 50 V CA -1.177 61.090 62.300 -0.054 0.000 1.063 50 V CB 2.016 33.807 31.823 -0.054 0.000 1.076 50 V HN 0.773 nan 8.190 nan 0.000 0.446 51 R N 0.540 121.042 120.500 0.003 0.000 2.540 51 R HA 0.820 5.159 4.340 -0.000 0.000 0.287 51 R C -1.316 175.132 176.300 0.247 0.000 0.980 51 R CA -0.712 55.427 56.100 0.065 0.000 0.966 51 R CB 1.421 31.668 30.300 -0.088 0.000 1.106 51 R HN 0.858 nan 8.270 nan 0.000 0.480 52 I N 2.083 122.857 120.570 0.339 0.000 2.569 52 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 52 I C -0.160 176.077 176.117 0.200 0.000 1.088 52 I CA -0.847 60.604 61.300 0.252 0.000 1.047 52 I CB 2.397 40.450 38.000 0.088 0.000 1.237 52 I HN 0.751 nan 8.210 nan 0.000 0.421 53 G N 5.252 113.900 108.800 -0.252 0.000 2.452 53 G HA2 0.601 4.561 3.960 -0.000 0.000 0.324 53 G HA3 0.601 4.561 3.960 -0.000 0.000 0.324 53 G C -0.788 173.890 174.900 -0.370 0.000 1.214 53 G CA -0.186 44.541 45.100 -0.623 0.000 0.947 53 G HN 0.386 nan 8.290 nan 0.000 0.478 54 L N 2.705 123.766 121.223 -0.270 0.000 3.289 54 L HA 0.324 4.664 4.340 -0.000 0.000 0.291 54 L C -1.279 175.491 176.870 -0.166 0.000 1.279 54 L CA -1.601 53.133 54.840 -0.176 0.000 1.025 54 L CB 0.054 42.050 42.059 -0.105 0.000 1.413 54 L HN 0.421 nan 8.230 nan 0.000 0.593 74 Q N 3.843 123.476 119.800 -0.279 0.000 2.465 74 Q HA 0.256 4.596 4.340 -0.000 0.000 0.237 74 Q C -1.131 174.769 176.000 -0.167 0.000 1.051 74 Q CA -0.469 55.245 55.803 -0.149 0.000 0.874 74 Q CB 1.171 29.857 28.738 -0.086 0.000 1.207 74 Q HN 0.386 nan 8.270 nan 0.000 0.508 75 W N 2.680 123.969 121.300 -0.018 0.000 2.266 75 W HA 0.081 4.741 4.660 -0.000 0.000 0.317 75 W C 0.788 177.295 176.519 -0.020 0.000 1.310 75 W CA -0.441 56.892 57.345 -0.021 0.000 1.207 75 W CB 0.644 30.090 29.460 -0.022 0.000 1.199 75 W HN 0.273 nan 8.180 nan 0.000 0.544 76 Q N 3.799 123.731 119.800 0.219 0.000 2.392 76 Q HA -0.013 4.327 4.340 -0.000 0.000 0.262 76 Q C -1.303 174.766 176.000 0.114 0.000 1.003 76 Q CA -0.733 55.144 55.803 0.123 0.000 0.888 76 Q CB 0.452 29.242 28.738 0.087 0.000 1.260 76 Q HN 0.291 nan 8.270 nan 0.000 0.435 77 P HA -0.104 nan 4.420 nan 0.000 0.220 77 P C -0.304 177.009 177.300 0.022 0.000 1.152 77 P CA 1.380 64.505 63.100 0.041 0.000 0.812 77 P CB 0.332 32.049 31.700 0.028 0.000 0.792 78 K N -0.715 119.698 120.400 0.023 0.000 2.258 78 K HA 0.526 4.845 4.320 -0.000 0.000 0.236 78 K C -0.409 176.197 176.600 0.010 0.000 1.008 78 K CA -1.049 55.243 56.287 0.008 0.000 0.869 78 K CB 1.174 33.677 32.500 0.005 0.000 1.171 78 K HN -0.167 nan 8.250 nan 0.000 0.447 79 L N 1.160 122.380 121.223 -0.005 0.000 2.371 79 L HA 0.378 4.718 4.340 -0.000 0.000 0.272 79 L C -0.033 176.834 176.870 -0.005 0.000 1.124 79 L CA -0.696 54.138 54.840 -0.010 0.000 0.816 79 L CB 1.323 43.362 42.059 -0.032 0.000 1.129 79 L HN 0.818 nan 8.230 nan 0.000 0.448 80 A N 2.481 125.299 122.820 -0.003 0.000 2.304 80 A HA 0.727 5.047 4.320 -0.000 0.000 0.323 80 A C -0.025 177.550 177.584 -0.015 0.000 1.195 80 A CA -0.590 51.445 52.037 -0.003 0.000 0.826 80 A CB 1.239 20.242 19.000 0.005 0.000 1.184 80 A HN 0.766 nan 8.150 nan 0.000 0.496 81 A N 2.165 124.978 122.820 -0.011 0.000 2.438 81 A HA 0.438 4.758 4.320 -0.000 0.000 0.280 81 A C 1.365 178.941 177.584 -0.013 0.000 1.160 81 A CA 0.278 52.307 52.037 -0.014 0.000 0.821 81 A CB -0.378 18.622 19.000 0.000 0.000 1.101 81 A HN 1.756 nan 8.150 nan 0.000 0.515 82 S N 1.465 117.147 115.700 -0.030 0.000 2.474 82 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 82 S C 1.629 176.220 174.600 -0.014 0.000 0.997 82 S CA 1.268 59.447 58.200 -0.035 0.000 0.949 82 S CB -1.268 61.888 63.200 -0.074 0.000 0.766 82 S HN 1.299 nan 8.310 nan 0.000 0.517 83 C N 0.927 120.232 119.300 0.008 0.000 2.500 83 C HA 0.464 4.924 4.460 -0.000 0.000 0.273 83 C C 1.468 176.480 174.990 0.038 0.000 1.428 83 C CA -0.059 58.983 59.018 0.039 0.000 1.766 83 C CB -1.643 26.136 27.740 0.066 0.000 1.817 83 C HN 0.620 nan 8.230 nan 0.000 0.543 84 V N -2.441 117.487 119.914 0.025 0.000 2.967 84 V HA 0.397 4.517 4.120 -0.000 0.000 0.364 84 V C -0.302 175.801 176.094 0.015 0.000 1.373 84 V CA 0.126 62.441 62.300 0.025 0.000 1.193 84 V CB -0.825 31.015 31.823 0.028 0.000 1.236 84 V HN 0.355 nan 8.190 nan 0.000 0.582 85 T N 2.252 116.811 114.554 0.008 0.000 2.840 85 T HA 0.796 5.146 4.350 -0.000 0.000 0.287 85 T C 0.204 174.904 174.700 0.001 0.000 0.991 85 T CA 0.242 62.344 62.100 0.003 0.000 0.964 85 T CB 1.602 70.468 68.868 -0.003 0.000 0.954 85 T HN 0.763 nan 8.240 nan 0.000 0.438 86 A N 3.004 125.825 122.820 0.002 0.000 2.401 86 A HA 0.582 4.902 4.320 -0.000 0.000 0.259 86 A C 0.789 178.369 177.584 -0.006 0.000 1.103 86 A CA -0.669 51.369 52.037 0.001 0.000 0.789 86 A CB -0.048 18.954 19.000 0.003 0.000 1.035 86 A HN 1.010 nan 8.150 nan 0.000 0.491 87 V N 0.919 120.829 119.914 -0.006 0.000 2.540 87 V HA 0.495 4.615 4.120 -0.000 0.000 0.297 87 V C 0.698 176.782 176.094 -0.017 0.000 1.024 87 V CA -0.251 62.042 62.300 -0.012 0.000 1.105 87 V CB -0.531 31.287 31.823 -0.008 0.000 0.938 87 V HN 1.289 nan 8.190 nan 0.000 0.482 88 A N 3.695 126.500 122.820 -0.024 0.000 2.264 88 A HA 0.453 4.773 4.320 -0.000 0.000 0.304 88 A C 0.217 177.782 177.584 -0.032 0.000 1.100 88 A CA -0.623 51.397 52.037 -0.028 0.000 0.839 88 A CB 0.606 19.586 19.000 -0.033 0.000 1.121 88 A HN 0.961 nan 8.150 nan 0.000 0.496 89 D N 0.089 120.469 120.400 -0.033 0.000 2.389 89 D HA 0.372 5.012 4.640 -0.000 0.000 0.247 89 D C 1.168 177.442 176.300 -0.042 0.000 1.128 89 D CA 1.692 55.672 54.000 -0.033 0.000 0.884 89 D CB 0.760 41.542 40.800 -0.030 0.000 1.194 89 D HN 1.184 nan 8.370 nan 0.000 0.441 90 G N 3.398 112.173 108.800 -0.042 0.000 2.221 90 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 90 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 90 G C 0.405 175.259 174.900 -0.078 0.000 1.041 90 G CA 0.637 45.704 45.100 -0.054 0.000 0.807 90 G HN 0.546 nan 8.290 nan 0.000 0.502 91 M N -0.076 119.482 119.600 -0.070 0.000 2.288 91 M HA 0.636 5.116 4.480 -0.000 0.000 0.334 91 M C -0.161 176.076 176.300 -0.104 0.000 1.150 91 M CA -0.485 54.760 55.300 -0.091 0.000 1.118 91 M CB 1.417 33.980 32.600 -0.062 0.000 1.501 91 M HN -0.005 nan 8.290 nan 0.000 0.462 92 V N 4.069 123.889 119.914 -0.156 0.000 2.540 92 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 92 V C -0.963 175.106 176.094 -0.041 0.000 1.035 92 V CA -0.728 61.484 62.300 -0.146 0.000 0.873 92 V CB 1.961 33.602 31.823 -0.304 0.000 0.992 92 V HN 0.679 nan 8.190 nan 0.000 0.428 93 V N 3.278 123.207 119.914 0.026 0.000 2.407 93 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 93 V C -0.697 175.439 176.094 0.070 0.000 1.018 93 V CA -0.599 61.738 62.300 0.061 0.000 0.842 93 V CB 1.796 33.612 31.823 -0.011 0.000 0.996 93 V HN 0.938 nan 8.190 nan 0.000 0.426 94 D N 3.305 123.786 120.400 0.135 0.000 2.349 94 D HA 0.418 5.058 4.640 -0.000 0.000 0.232 94 D C 0.868 177.130 176.300 -0.063 0.000 1.071 94 D CA 0.047 54.058 54.000 0.019 0.000 0.832 94 D CB 2.099 42.869 40.800 -0.050 0.000 1.086 94 D HN 0.655 nan 8.370 nan 0.000 0.504 95 T N 0.890 115.382 114.554 -0.102 0.000 3.040 95 T HA 0.171 4.521 4.350 -0.000 0.000 0.266 95 T C 1.324 175.996 174.700 -0.048 0.000 1.005 95 T CA -0.122 61.927 62.100 -0.086 0.000 0.906 95 T CB -0.182 68.630 68.868 -0.093 0.000 1.082 95 T HN 0.375 nan 8.240 nan 0.000 0.531 96 L N 0.609 121.795 121.223 -0.060 0.000 2.609 96 L HA 0.399 4.739 4.340 -0.000 0.000 0.230 96 L C 1.448 178.305 176.870 -0.023 0.000 1.064 96 L CA -0.273 54.556 54.840 -0.019 0.000 0.873 96 L CB -0.015 42.033 42.059 -0.018 0.000 1.139 96 L HN 0.207 nan 8.230 nan 0.000 0.490 97 S N 0.509 116.167 115.700 -0.070 0.000 2.553 97 S HA -0.145 4.325 4.470 -0.000 0.000 0.293 97 S C 1.111 175.685 174.600 -0.043 0.000 1.296 97 S CA -0.244 57.905 58.200 -0.085 0.000 1.046 97 S CB 0.343 63.438 63.200 -0.174 0.000 0.810 97 S HN 0.250 nan 8.310 nan 0.000 0.505 98 D N 2.825 123.216 120.400 -0.014 0.000 2.158 98 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 98 D C 2.000 178.270 176.300 -0.051 0.000 0.995 98 D CA 1.319 55.343 54.000 0.041 0.000 0.846 98 D CB -0.241 40.602 40.800 0.073 0.000 0.941 98 D HN 0.406 nan 8.370 nan 0.000 0.456 99 V N 0.860 120.716 119.914 -0.097 0.000 2.332 99 V HA -0.212 3.907 4.120 -0.000 0.000 0.248 99 V C 2.632 178.642 176.094 -0.140 0.000 1.055 99 V CA 1.074 63.294 62.300 -0.134 0.000 1.038 99 V CB -0.387 31.345 31.823 -0.151 0.000 0.651 99 V HN 0.057 nan 8.190 nan 0.000 0.450 100 V N -0.659 119.185 119.914 -0.116 0.000 2.255 100 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 100 V C 2.573 178.611 176.094 -0.093 0.000 1.038 100 V CA 1.843 64.081 62.300 -0.103 0.000 1.008 100 V CB -0.697 31.074 31.823 -0.086 0.000 0.645 100 V HN 0.384 nan 8.190 nan 0.000 0.449 101 R N -0.145 120.330 120.500 -0.041 0.000 2.094 101 R HA -0.287 4.053 4.340 -0.000 0.000 0.239 101 R C 2.400 178.628 176.300 -0.119 0.000 1.137 101 R CA 2.312 58.421 56.100 0.016 0.000 0.943 101 R CB -0.461 29.924 30.300 0.143 0.000 0.850 101 R HN 0.704 nan 8.270 nan 0.000 0.433 102 E N 0.081 120.068 120.200 -0.355 0.000 2.114 102 E HA -0.249 4.100 4.350 -0.000 0.000 0.199 102 E C 1.769 178.126 176.600 -0.406 0.000 1.008 102 E CA 1.684 57.639 56.400 -0.741 0.000 0.810 102 E CB -0.092 29.154 29.700 -0.755 0.000 0.739 102 E HN 0.402 nan 8.360 nan 0.000 0.456 103 A N 0.628 123.293 122.820 -0.258 0.000 1.841 103 A HA -0.252 4.068 4.320 -0.000 0.000 0.214 103 A C 2.149 179.632 177.584 -0.168 0.000 1.195 103 A CA 1.747 53.670 52.037 -0.190 0.000 0.611 103 A CB -0.806 18.112 19.000 -0.138 0.000 0.835 103 A HN 0.397 nan 8.150 nan 0.000 0.443 104 Q N -0.693 119.026 119.800 -0.135 0.000 2.103 104 Q HA -0.297 4.043 4.340 -0.000 0.000 0.213 104 Q C 2.288 178.243 176.000 -0.075 0.000 1.008 104 Q CA 2.027 57.763 55.803 -0.111 0.000 0.879 104 Q CB -0.502 28.193 28.738 -0.070 0.000 0.946 104 Q HN 0.695 nan 8.270 nan 0.000 0.413 105 A N 0.283 123.068 122.820 -0.057 0.000 2.121 105 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 105 A C 2.085 179.593 177.584 -0.126 0.000 1.154 105 A CA 1.328 53.347 52.037 -0.030 0.000 0.679 105 A CB -0.578 18.444 19.000 0.036 0.000 0.795 105 A HN 0.504 nan 8.150 nan 0.000 0.458 106 G N -1.461 107.202 108.800 -0.228 0.000 2.453 106 G HA2 0.014 3.974 3.960 -0.000 0.000 0.215 106 G HA3 0.014 3.974 3.960 -0.000 0.000 0.215 106 G C 1.320 175.940 174.900 -0.467 0.000 1.147 106 G CA 0.897 45.743 45.100 -0.423 0.000 0.802 106 G HN 0.323 nan 8.290 nan 0.000 0.535 107 M N 0.696 120.173 119.600 -0.204 0.000 2.254 107 M HA 0.123 4.603 4.480 -0.000 0.000 0.265 107 M C 2.636 178.967 176.300 0.052 0.000 1.066 107 M CA 0.316 55.596 55.300 -0.033 0.000 1.123 107 M CB -0.532 32.067 32.600 -0.002 0.000 1.388 107 M HN 0.069 nan 8.290 nan 0.000 0.425 108 V N -0.064 119.864 119.914 0.023 0.000 2.255 108 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 108 V C 2.279 178.408 176.094 0.059 0.000 1.051 108 V CA 2.265 64.618 62.300 0.088 0.000 1.018 108 V CB -0.976 30.895 31.823 0.080 0.000 0.641 108 V HN 0.534 nan 8.190 nan 0.000 0.445 109 E N -0.218 119.963 120.200 -0.031 0.000 2.097 109 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 109 E C 2.078 178.728 176.600 0.084 0.000 1.000 109 E CA 1.799 58.185 56.400 -0.024 0.000 0.804 109 E CB -0.181 29.430 29.700 -0.148 0.000 0.740 109 E HN 0.503 nan 8.360 nan 0.000 0.454 110 F N 1.035 120.985 119.950 -0.000 0.000 2.186 110 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 110 F C 2.517 178.276 175.800 -0.068 0.000 1.090 110 F CA 1.452 59.424 58.000 -0.046 0.000 1.307 110 F CB -1.023 37.953 39.000 -0.041 0.000 1.019 110 F HN 0.075 nan 8.300 nan 0.000 0.489 111 T N 0.807 115.461 114.554 0.166 0.000 2.701 111 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 111 T C 2.211 176.915 174.700 0.006 0.000 1.040 111 T CA 1.222 63.352 62.100 0.050 0.000 1.147 111 T CB -0.710 68.186 68.868 0.047 0.000 0.865 111 T HN 0.179 nan 8.240 nan 0.000 0.426 112 L N 0.727 121.967 121.223 0.029 0.000 2.456 112 L HA 0.012 4.352 4.340 -0.000 0.000 0.224 112 L C 2.344 179.253 176.870 0.066 0.000 1.148 112 L CA 0.048 54.922 54.840 0.057 0.000 0.825 112 L CB -0.817 41.292 42.059 0.083 0.000 0.937 112 L HN 0.147 nan 8.230 nan 0.000 0.450 113 L N 0.593 121.802 121.223 -0.023 0.000 2.011 113 L HA -0.298 4.041 4.340 -0.000 0.000 0.225 113 L C 1.778 178.416 176.870 -0.387 0.000 1.084 113 L CA 1.987 56.654 54.840 -0.289 0.000 0.791 113 L CB -0.542 41.294 42.059 -0.371 0.000 0.898 113 L HN 0.375 nan 8.230 nan 0.000 0.440 114 N N -1.996 116.585 118.700 -0.198 0.000 2.275 114 N HA 0.023 4.762 4.740 -0.000 0.000 0.236 114 N C -0.459 175.090 175.510 0.065 0.000 1.154 114 N CA -0.068 52.925 53.050 -0.095 0.000 0.866 114 N CB -0.052 38.363 38.487 -0.120 0.000 1.093 114 N HN 0.399 nan 8.380 nan 0.000 0.515 115 H N 1.668 120.741 119.070 0.004 0.000 2.562 115 H HA 0.175 4.730 4.556 -0.000 0.000 0.352 115 H C -1.054 174.324 175.328 0.082 0.000 1.125 115 H CA -1.057 55.020 56.048 0.048 0.000 1.379 115 H CB 1.260 31.052 29.762 0.050 0.000 1.464 115 H HN 0.006 nan 8.280 nan 0.000 0.563 116 P HA -0.117 nan 4.420 nan 0.000 0.213 116 P C -0.196 177.109 177.300 0.008 0.000 1.170 116 P CA 0.849 63.889 63.100 -0.100 0.000 0.893 116 P CB 0.954 32.536 31.700 -0.197 0.000 0.784 117 L N -1.266 119.964 121.223 0.012 0.000 3.640 117 L HA -0.062 4.278 4.340 -0.000 0.000 0.414 117 L C -0.338 176.569 176.870 0.062 0.000 1.191 117 L CA 0.256 55.141 54.840 0.075 0.000 0.875 117 L CB -1.819 40.292 42.059 0.087 0.000 1.993 117 L HN -0.074 nan 8.230 nan 0.000 0.584 118 D N -2.215 118.218 120.400 0.054 0.000 2.433 118 D HA 0.211 4.851 4.640 -0.000 0.000 0.211 118 D C 1.760 178.108 176.300 0.080 0.000 1.114 118 D CA 0.520 54.557 54.000 0.062 0.000 0.837 118 D CB 0.087 40.924 40.800 0.062 0.000 0.984 118 D HN 0.446 nan 8.370 nan 0.000 0.505 119 C N 2.162 121.522 119.300 0.100 0.000 2.294 119 C HA -0.223 4.237 4.460 -0.000 0.000 0.265 119 C C 0.086 175.140 174.990 0.107 0.000 1.115 119 C CA 1.548 60.637 59.018 0.118 0.000 1.809 119 C CB -1.272 26.542 27.740 0.122 0.000 2.010 119 C HN 0.364 nan 8.230 nan 0.000 0.425 120 P HA -0.120 nan 4.420 nan 0.000 0.216 120 P C 1.042 178.367 177.300 0.042 0.000 1.157 120 P CA 2.372 65.516 63.100 0.073 0.000 0.880 120 P CB -0.444 31.283 31.700 0.046 0.000 0.791 121 T N -1.011 113.559 114.554 0.027 0.000 3.268 121 T HA 0.256 4.606 4.350 -0.000 0.000 0.244 121 T C -0.340 174.395 174.700 0.060 0.000 0.915 121 T CA -0.588 61.502 62.100 -0.016 0.000 0.935 121 T CB -1.526 67.327 68.868 -0.025 0.000 1.110 121 T HN 0.061 nan 8.240 nan 0.000 0.573 122 C N 1.185 120.541 119.300 0.094 0.000 2.364 122 C HA 0.491 4.951 4.460 -0.000 0.000 0.324 122 C C 1.299 176.384 174.990 0.158 0.000 1.234 122 C CA -0.755 58.354 59.018 0.151 0.000 1.417 122 C CB 0.854 28.676 27.740 0.136 0.000 2.101 122 C HN 0.520 nan 8.230 nan 0.000 0.466 123 D N 1.874 122.400 120.400 0.210 0.000 2.309 123 D HA -0.056 4.584 4.640 -0.000 0.000 0.212 123 D C 1.491 177.865 176.300 0.123 0.000 0.968 123 D CA 0.993 55.102 54.000 0.181 0.000 0.882 123 D CB 0.179 41.097 40.800 0.197 0.000 0.918 123 D HN 0.478 nan 8.370 nan 0.000 0.503 124 K N 1.085 121.564 120.400 0.131 0.000 2.668 124 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 124 K C 1.193 177.877 176.600 0.140 0.000 1.016 124 K CA -0.026 56.337 56.287 0.126 0.000 1.131 124 K CB -0.916 31.666 32.500 0.136 0.000 0.891 124 K HN 0.131 nan 8.250 nan 0.000 0.499 125 G N 0.532 109.411 108.800 0.131 0.000 2.774 125 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.760 125 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.760 125 G C 0.963 176.046 174.900 0.305 0.000 1.114 125 G CA 0.849 46.061 45.100 0.187 0.000 0.849 125 G HN 0.455 nan 8.290 nan 0.000 0.796 126 G N -0.621 108.433 108.800 0.423 0.000 3.233 126 G HA2 0.493 4.453 3.960 -0.000 0.000 0.234 126 G HA3 0.493 4.453 3.960 -0.000 0.000 0.234 126 G C 1.023 176.049 174.900 0.211 0.000 1.137 126 G CA 1.079 46.374 45.100 0.324 0.000 0.763 126 G HN 1.390 nan 8.290 nan 0.000 0.549 127 A N 0.093 123.026 122.820 0.189 0.000 2.503 127 A HA 0.393 4.713 4.320 -0.000 0.000 0.263 127 A C 0.558 178.210 177.584 0.113 0.000 1.360 127 A CA -0.320 51.795 52.037 0.130 0.000 0.969 127 A CB -0.894 18.170 19.000 0.106 0.000 1.000 127 A HN 0.398 nan 8.150 nan 0.000 0.530 128 C N 0.398 119.774 119.300 0.126 0.000 2.258 128 C HA 0.423 4.883 4.460 -0.000 0.000 0.321 128 C C 1.276 176.346 174.990 0.133 0.000 1.168 128 C CA -0.516 58.579 59.018 0.127 0.000 1.531 128 C CB -0.986 26.839 27.740 0.142 0.000 2.095 128 C HN 0.805 nan 8.230 nan 0.000 0.449 129 E N 2.053 122.335 120.200 0.136 0.000 2.197 129 E HA -0.312 4.038 4.350 -0.000 0.000 0.205 129 E C 1.607 178.367 176.600 0.267 0.000 1.029 129 E CA 1.706 58.214 56.400 0.180 0.000 0.828 129 E CB -0.038 29.786 29.700 0.207 0.000 0.737 129 E HN 0.841 nan 8.360 nan 0.000 0.464 130 L N 0.947 122.318 121.223 0.246 0.000 2.007 130 L HA -0.183 4.157 4.340 -0.000 0.000 0.205 130 L C 2.301 179.281 176.870 0.184 0.000 1.073 130 L CA 1.743 56.734 54.840 0.253 0.000 0.744 130 L CB -0.557 41.498 42.059 -0.007 0.000 0.898 130 L HN 0.049 nan 8.230 nan 0.000 0.435 131 Q N -0.218 119.662 119.800 0.133 0.000 2.007 131 Q HA -0.340 4.000 4.340 -0.000 0.000 0.214 131 Q C 1.869 177.942 176.000 0.121 0.000 1.031 131 Q CA 2.666 58.543 55.803 0.123 0.000 0.886 131 Q CB -0.450 28.362 28.738 0.124 0.000 0.992 131 Q HN 0.622 nan 8.270 nan 0.000 0.415 132 D N -0.562 119.911 120.400 0.122 0.000 2.108 132 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 132 D C 1.959 178.330 176.300 0.118 0.000 0.995 132 D CA 1.384 55.446 54.000 0.102 0.000 0.834 132 D CB -0.302 40.556 40.800 0.096 0.000 0.967 132 D HN 0.065 nan 8.370 nan 0.000 0.446 133 R N -0.061 120.537 120.500 0.163 0.000 2.133 133 R HA -0.105 4.235 4.340 -0.000 0.000 0.247 133 R C 2.330 178.758 176.300 0.213 0.000 1.151 133 R CA 1.642 57.867 56.100 0.209 0.000 0.971 133 R CB -0.825 29.539 30.300 0.106 0.000 0.866 133 R HN 0.176 nan 8.270 nan 0.000 0.447 134 T N -0.719 113.943 114.554 0.180 0.000 2.737 134 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 134 T C 1.599 176.365 174.700 0.109 0.000 1.040 134 T CA 1.560 63.751 62.100 0.151 0.000 1.142 134 T CB -0.221 68.727 68.868 0.134 0.000 0.861 134 T HN 0.108 nan 8.240 nan 0.000 0.456 135 V N 0.583 120.544 119.914 0.079 0.000 3.608 135 V HA 0.120 4.240 4.120 -0.000 0.000 0.269 135 V C 1.817 177.892 176.094 -0.032 0.000 1.245 135 V CA 0.947 63.268 62.300 0.035 0.000 1.138 135 V CB -0.299 31.544 31.823 0.034 0.000 0.841 135 V HN 0.470 nan 8.190 nan 0.000 0.451 136 E N -1.130 119.036 120.200 -0.057 0.000 2.216 136 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 136 E C 0.951 177.202 176.600 -0.582 0.000 0.973 136 E CA 1.007 57.214 56.400 -0.322 0.000 0.851 136 E CB 0.232 29.727 29.700 -0.342 0.000 0.804 136 E HN 0.794 nan 8.360 nan 0.000 0.477 137 Y N -1.042 119.264 120.300 0.009 0.000 2.515 137 Y HA 0.274 4.824 4.550 -0.000 0.000 0.267 137 Y C 1.128 177.034 175.900 0.009 0.000 1.058 137 Y CA -0.372 57.730 58.100 0.003 0.000 1.231 137 Y CB 0.738 39.185 38.460 -0.021 0.000 1.350 137 Y HN -0.058 nan 8.280 nan 0.000 0.554 138 G N 0.443 109.322 108.800 0.132 0.000 2.611 138 G HA2 0.338 4.298 3.960 -0.000 0.000 0.273 138 G HA3 0.338 4.298 3.960 -0.000 0.000 0.273 138 G C 0.114 175.047 174.900 0.056 0.000 1.305 138 G CA -0.379 44.776 45.100 0.091 0.000 1.010 138 G HN 0.315 nan 8.290 nan 0.000 0.509 139 L N -0.706 120.538 121.223 0.035 0.000 3.826 139 L HA -0.187 4.153 4.340 -0.000 0.000 0.566 139 L C 0.074 176.944 176.870 -0.000 0.000 1.217 139 L CA -0.455 54.377 54.840 -0.014 0.000 0.823 139 L CB -1.376 40.631 42.059 -0.087 0.000 1.381 139 L HN 0.657 nan 8.230 nan 0.000 0.825 140 Y N 2.152 122.397 120.300 -0.091 0.000 2.890 140 Y HA -0.069 4.481 4.550 -0.000 0.000 0.341 140 Y C 1.069 176.883 175.900 -0.143 0.000 1.269 140 Y CA 0.565 58.606 58.100 -0.097 0.000 1.517 140 Y CB 0.420 38.825 38.460 -0.090 0.000 1.314 140 Y HN 0.367 nan 8.280 nan 0.000 0.622 141 E N 5.199 124.909 120.200 -0.817 0.000 2.373 141 E HA 0.162 4.512 4.350 -0.000 0.000 0.233 141 E C -0.903 174.966 176.600 -1.219 0.000 1.035 141 E CA -0.798 55.099 56.400 -0.837 0.000 0.930 141 E CB -0.113 29.264 29.700 -0.537 0.000 1.278 141 E HN 0.498 nan 8.360 nan 0.000 0.452 142 K N 1.609 121.332 120.400 -1.128 0.000 2.379 142 K HA 0.138 4.458 4.320 -0.000 0.000 0.284 142 K C -0.976 175.364 176.600 -0.433 0.000 1.044 142 K CA 0.173 56.070 56.287 -0.651 0.000 0.974 142 K CB 0.506 32.940 32.500 -0.110 0.000 0.962 142 K HN 0.221 nan 8.250 nan 0.000 0.474 151 L N 3.088 124.307 121.223 -0.007 0.000 2.628 151 L HA 0.081 4.421 4.340 -0.000 0.000 0.292 151 L C -1.564 175.286 176.870 -0.033 0.000 1.250 151 L CA -0.645 54.193 54.840 -0.004 0.000 0.892 151 L CB -0.124 41.947 42.059 0.019 0.000 1.138 151 L HN 0.401 nan 8.230 nan 0.000 0.502 152 P HA 0.134 nan 4.420 nan 0.000 0.280 152 P C -0.784 176.430 177.300 -0.143 0.000 1.244 152 P CA -0.366 62.637 63.100 -0.162 0.000 0.784 152 P CB 1.328 32.855 31.700 -0.288 0.000 0.913 153 V N 4.893 124.732 119.914 -0.126 0.000 2.353 153 V HA 0.030 4.150 4.120 -0.000 0.000 0.264 153 V C 0.994 177.057 176.094 -0.053 0.000 1.049 153 V CA 0.065 62.346 62.300 -0.032 0.000 0.896 153 V CB -0.233 31.590 31.823 -0.000 0.000 1.025 153 V HN 0.502 nan 8.190 nan 0.000 0.475 154 Y N 2.646 122.962 120.300 0.026 0.000 2.243 154 Y HA -0.001 4.549 4.550 -0.000 0.000 0.293 154 Y C 1.711 177.646 175.900 0.059 0.000 1.124 154 Y CA 1.487 59.610 58.100 0.038 0.000 1.159 154 Y CB 0.336 38.818 38.460 0.037 0.000 1.008 154 Y HN 0.551 nan 8.280 nan 0.000 0.527 155 T N -0.025 114.663 114.554 0.223 0.000 2.881 155 T HA 0.314 4.664 4.350 -0.000 0.000 0.291 155 T C 0.534 175.329 174.700 0.159 0.000 0.990 155 T CA -0.673 61.541 62.100 0.190 0.000 0.976 155 T CB 0.943 69.929 68.868 0.197 0.000 0.970 155 T HN 0.066 nan 8.240 nan 0.000 0.438 156 R N 2.750 123.356 120.500 0.176 0.000 2.080 156 R HA 0.116 4.456 4.340 -0.000 0.000 0.222 156 R C 0.571 177.001 176.300 0.217 0.000 1.107 156 R CA 0.270 56.470 56.100 0.166 0.000 0.980 156 R CB -0.135 30.265 30.300 0.165 0.000 0.879 156 R HN 0.597 nan 8.270 nan 0.000 0.439 157 F N 3.554 123.594 119.950 0.150 0.000 2.578 157 F HA -0.087 4.440 4.527 -0.000 0.000 0.381 157 F C 0.535 176.410 175.800 0.126 0.000 1.069 157 F CA 0.291 58.416 58.000 0.207 0.000 1.231 157 F CB 0.391 39.521 39.000 0.217 0.000 1.086 157 F HN 0.098 nan 8.300 nan 0.000 0.564 158 E N 5.421 125.288 120.200 -0.555 0.000 4.017 158 E HA 0.251 4.601 4.350 -0.000 0.000 0.205 158 E C -1.403 174.609 176.600 -0.980 0.000 1.054 158 E CA -0.371 55.665 56.400 -0.606 0.000 1.398 158 E CB -0.072 29.347 29.700 -0.469 0.000 1.164 158 E HN 0.384 nan 8.360 nan 0.000 0.445 159 F N 0.020 119.434 119.950 -0.892 0.000 2.691 159 F HA 0.418 4.945 4.527 -0.000 0.000 0.334 159 F C 0.631 176.298 175.800 -0.220 0.000 1.107 159 F CA -1.243 56.429 58.000 -0.546 0.000 0.991 159 F CB 1.467 40.090 39.000 -0.628 0.000 1.400 159 F HN -0.225 nan 8.300 nan 0.000 0.503 160 T N 2.118 116.778 114.554 0.177 0.000 2.902 160 T HA 0.204 4.554 4.350 -0.000 0.000 0.301 160 T C 0.437 175.249 174.700 0.186 0.000 1.012 160 T CA -0.157 62.038 62.100 0.158 0.000 1.151 160 T CB 0.162 69.109 68.868 0.132 0.000 0.946 160 T HN 0.351 nan 8.240 nan 0.000 0.542 161 R N 1.306 121.832 120.500 0.044 0.000 2.584 161 R HA 0.378 4.718 4.340 -0.000 0.000 0.253 161 R C 0.792 176.917 176.300 -0.292 0.000 1.251 161 R CA -0.907 55.196 56.100 0.005 0.000 1.129 161 R CB 0.459 30.799 30.300 0.066 0.000 1.239 161 R HN 0.417 nan 8.270 nan 0.000 0.595 162 R N 1.576 121.974 120.500 -0.170 0.000 2.419 162 R HA 0.088 4.428 4.340 -0.000 0.000 0.305 162 R C -0.899 175.345 176.300 -0.092 0.000 1.242 162 R CA -0.067 55.962 56.100 -0.119 0.000 1.105 162 R CB -0.379 29.914 30.300 -0.012 0.000 1.116 162 R HN 0.559 nan 8.270 nan 0.000 0.523 163 H N 1.916 121.026 119.070 0.067 0.000 2.580 163 H HA 0.277 4.833 4.556 -0.000 0.000 0.322 163 H C 0.554 175.890 175.328 0.012 0.000 1.082 163 H CA -0.552 55.518 56.048 0.037 0.000 1.383 163 H CB 1.238 31.023 29.762 0.038 0.000 1.450 163 H HN 0.392 nan 8.280 nan 0.000 0.505 164 V N -0.794 119.181 119.914 0.102 0.000 3.157 164 V HA 0.257 4.377 4.120 -0.000 0.000 0.312 164 V C -0.473 175.579 176.094 -0.069 0.000 1.502 164 V CA -1.248 61.044 62.300 -0.013 0.000 0.997 164 V CB 1.219 33.010 31.823 -0.054 0.000 1.053 164 V HN 0.600 nan 8.190 nan 0.000 0.482 165 D N 1.010 121.314 120.400 -0.160 0.000 2.493 165 D HA 0.330 4.970 4.640 -0.000 0.000 0.240 165 D C -0.345 175.869 176.300 -0.143 0.000 1.142 165 D CA 0.815 54.704 54.000 -0.186 0.000 0.872 165 D CB 0.473 41.107 40.800 -0.277 0.000 1.173 165 D HN 0.755 nan 8.370 nan 0.000 0.467 166 K N 1.377 121.656 120.400 -0.203 0.000 2.482 166 K HA 0.281 4.601 4.320 -0.000 0.000 0.257 166 K C -0.879 175.477 176.600 -0.406 0.000 0.969 166 K CA -1.047 55.123 56.287 -0.195 0.000 0.842 166 K CB 0.885 33.315 32.500 -0.116 0.000 1.359 166 K HN 0.783 nan 8.250 nan 0.000 0.441 167 H N -0.395 118.712 119.070 0.062 0.000 2.394 167 H HA -0.247 4.309 4.556 -0.000 0.000 0.322 167 H C -1.713 173.654 175.328 0.065 0.000 1.012 167 H CA 1.296 57.373 56.048 0.048 0.000 1.084 167 H CB -2.152 27.624 29.762 0.024 0.000 1.597 167 H HN 0.588 nan 8.280 nan 0.000 0.375 168 H N 2.171 121.250 119.070 0.016 0.000 2.587 168 H HA 0.440 4.996 4.556 -0.000 0.000 0.325 168 H C -2.728 172.614 175.328 0.023 0.000 1.012 168 H CA -2.406 53.645 56.048 0.005 0.000 1.213 168 H CB 1.645 31.382 29.762 -0.041 0.000 1.431 168 H HN 0.333 nan 8.280 nan 0.000 0.492 169 P HA 0.004 nan 4.420 nan 0.000 0.276 169 P C 0.527 177.653 177.300 -0.289 0.000 1.253 169 P CA -0.014 62.929 63.100 -0.261 0.000 0.766 169 P CB 1.441 32.994 31.700 -0.246 0.000 0.845 170 L N 1.904 123.112 121.223 -0.024 0.000 2.131 170 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 170 L C 1.577 178.458 176.870 0.019 0.000 1.087 170 L CA 1.308 56.196 54.840 0.079 0.000 0.767 170 L CB -0.375 41.769 42.059 0.142 0.000 0.917 170 L HN 0.505 nan 8.230 nan 0.000 0.441 171 S N -2.226 113.449 115.700 -0.043 0.000 2.840 171 S HA 0.418 4.888 4.470 -0.000 0.000 0.307 171 S C -2.266 172.188 174.600 -0.245 0.000 1.180 171 S CA -0.925 57.211 58.200 -0.107 0.000 0.846 171 S CB 1.168 64.351 63.200 -0.029 0.000 1.233 171 S HN -0.196 nan 8.310 nan 0.000 0.548 172 P HA 0.185 nan 4.420 nan 0.000 0.237 172 P C 0.357 177.261 177.300 -0.660 0.000 1.178 172 P CA 0.789 63.520 63.100 -0.615 0.000 0.766 172 P CB -0.247 30.895 31.700 -0.929 0.000 0.876 173 F N -1.353 118.389 119.950 -0.347 0.000 2.746 173 F HA 0.187 4.714 4.527 -0.000 0.000 0.313 173 F C 0.798 176.273 175.800 -0.542 0.000 1.095 173 F CA -0.303 57.256 58.000 -0.735 0.000 1.224 173 F CB 1.012 39.243 39.000 -1.282 0.000 1.060 173 F HN -0.377 nan 8.300 nan 0.000 0.584 174 V N 1.514 121.380 119.914 -0.081 0.000 2.841 174 V HA 0.434 4.554 4.120 -0.000 0.000 0.310 174 V C -1.136 174.967 176.094 0.015 0.000 1.090 174 V CA -1.043 61.277 62.300 0.033 0.000 0.930 174 V CB 3.141 35.046 31.823 0.137 0.000 1.014 174 V HN 0.016 nan 8.190 nan 0.000 0.425 175 I N 4.455 125.051 120.570 0.043 0.000 2.478 175 I HA 0.615 4.784 4.170 -0.000 0.000 0.287 175 I C -1.399 174.769 176.117 0.085 0.000 1.042 175 I CA -0.752 60.569 61.300 0.035 0.000 1.067 175 I CB 1.576 39.571 38.000 -0.009 0.000 1.233 175 I HN 0.639 nan 8.210 nan 0.000 0.431 176 L N 7.915 129.211 121.223 0.122 0.000 2.289 176 L HA 0.553 4.893 4.340 -0.000 0.000 0.285 176 L C -0.909 176.029 176.870 0.114 0.000 1.049 176 L CA 0.272 55.190 54.840 0.130 0.000 0.804 176 L CB 1.175 43.328 42.059 0.158 0.000 1.195 176 L HN 0.550 nan 8.230 nan 0.000 0.428 177 D N 4.244 124.699 120.400 0.091 0.000 2.464 177 D HA 0.247 4.886 4.640 -0.000 0.000 0.243 177 D C 0.807 177.141 176.300 0.056 0.000 1.104 177 D CA -0.276 53.767 54.000 0.072 0.000 0.883 177 D CB 1.061 41.911 40.800 0.083 0.000 1.050 177 D HN 0.651 nan 8.370 nan 0.000 0.524 178 R N 1.685 122.205 120.500 0.034 0.000 2.096 178 R HA -0.097 4.242 4.340 -0.000 0.000 0.235 178 R C 1.711 178.043 176.300 0.054 0.000 1.127 178 R CA 1.169 57.294 56.100 0.041 0.000 0.968 178 R CB 0.289 30.583 30.300 -0.010 0.000 0.861 178 R HN 0.508 nan 8.270 nan 0.000 0.440 179 E N 0.051 120.271 120.200 0.033 0.000 2.085 179 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 179 E C 2.065 178.673 176.600 0.015 0.000 0.994 179 E CA 1.246 57.666 56.400 0.032 0.000 0.801 179 E CB 0.041 29.754 29.700 0.022 0.000 0.743 179 E HN 0.276 nan 8.360 nan 0.000 0.453 180 R N 0.063 120.567 120.500 0.006 0.000 2.090 180 R HA -0.005 4.335 4.340 -0.000 0.000 0.228 180 R C 1.280 177.689 176.300 0.182 0.000 1.110 180 R CA 0.202 56.310 56.100 0.014 0.000 0.973 180 R CB -0.507 29.821 30.300 0.047 0.000 0.869 180 R HN 0.165 nan 8.270 nan 0.000 0.440 181 C N 2.680 122.058 119.300 0.130 0.000 2.334 181 C HA -0.044 4.416 4.460 -0.000 0.000 0.395 181 C C 1.857 176.967 174.990 0.201 0.000 1.507 181 C CA -0.148 58.941 59.018 0.119 0.000 1.494 181 C CB -0.829 26.934 27.740 0.038 0.000 2.509 181 C HN 0.560 nan 8.230 nan 0.000 0.599 182 I N 2.288 122.956 120.570 0.163 0.000 3.941 182 I HA 0.340 4.510 4.170 -0.000 0.000 0.335 182 I C 0.621 176.922 176.117 0.307 0.000 1.402 182 I CA -0.216 61.188 61.300 0.172 0.000 1.112 182 I CB -0.682 37.221 38.000 -0.162 0.000 1.043 182 I HN 0.893 nan 8.210 nan 0.000 0.395 183 H N -0.013 119.126 119.070 0.115 0.000 3.080 183 H HA -0.178 4.378 4.556 -0.000 0.000 0.254 183 H C 0.880 176.305 175.328 0.162 0.000 1.179 183 H CA 0.379 56.541 56.048 0.189 0.000 1.144 183 H CB -2.577 27.188 29.762 0.005 0.000 1.261 183 H HN 0.830 nan 8.280 nan 0.000 0.333 184 C N 0.398 119.829 119.300 0.218 0.000 2.633 184 C HA 0.142 4.602 4.460 -0.000 0.000 0.415 184 C C 1.919 177.068 174.990 0.266 0.000 1.393 184 C CA -0.238 58.899 59.018 0.198 0.000 1.700 184 C CB 0.283 28.111 27.740 0.147 0.000 2.541 184 C HN 0.632 nan 8.230 nan 0.000 0.603 185 K N 2.572 123.133 120.400 0.268 0.000 2.643 185 K HA -0.034 4.285 4.320 -0.000 0.000 0.193 185 K C 2.060 178.808 176.600 0.248 0.000 1.027 185 K CA 0.338 56.834 56.287 0.349 0.000 1.033 185 K CB -0.165 32.520 32.500 0.309 0.000 0.827 185 K HN 0.814 nan 8.250 nan 0.000 0.500 186 R N -0.128 120.489 120.500 0.195 0.000 2.094 186 R HA -0.234 4.105 4.340 -0.000 0.000 0.239 186 R C 2.633 179.022 176.300 0.148 0.000 1.137 186 R CA 2.260 58.458 56.100 0.162 0.000 0.943 186 R CB -0.712 29.665 30.300 0.129 0.000 0.850 186 R HN 0.543 nan 8.270 nan 0.000 0.433 187 C N -0.401 118.957 119.300 0.096 0.000 2.473 187 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 187 C C 2.695 177.790 174.990 0.175 0.000 1.250 187 C CA 0.407 59.469 59.018 0.073 0.000 1.713 187 C CB -1.451 26.317 27.740 0.046 0.000 2.066 187 C HN 0.439 nan 8.230 nan 0.000 0.474 188 V N 1.582 121.564 119.914 0.113 0.000 2.332 188 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 188 V C 2.830 179.035 176.094 0.185 0.000 1.055 188 V CA 2.611 64.996 62.300 0.142 0.000 1.038 188 V CB -1.201 30.619 31.823 -0.006 0.000 0.651 188 V HN 0.635 nan 8.190 nan 0.000 0.450 189 R N -0.768 119.837 120.500 0.175 0.000 2.091 189 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 189 R C 2.343 178.726 176.300 0.138 0.000 1.136 189 R CA 2.240 58.435 56.100 0.159 0.000 0.959 189 R CB -0.710 29.694 30.300 0.173 0.000 0.856 189 R HN 0.805 nan 8.270 nan 0.000 0.437 190 Y N -0.376 119.926 120.300 0.003 0.000 2.220 190 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 190 Y C 1.562 177.380 175.900 -0.137 0.000 1.129 190 Y CA 1.412 59.442 58.100 -0.116 0.000 1.161 190 Y CB -0.368 37.962 38.460 -0.215 0.000 0.997 190 Y HN -0.029 nan 8.280 nan 0.000 0.522 191 F N 1.454 121.364 119.950 -0.066 0.000 2.126 191 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 191 F C 2.514 178.210 175.800 -0.173 0.000 1.096 191 F CA 1.962 59.858 58.000 -0.173 0.000 1.255 191 F CB -0.944 38.077 39.000 0.034 0.000 0.997 191 F HN 0.380 nan 8.300 nan 0.000 0.479 192 E N 0.342 120.604 120.200 0.103 0.000 2.047 192 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 192 E C 1.791 178.374 176.600 -0.029 0.000 0.987 192 E CA 1.974 58.406 56.400 0.054 0.000 0.799 192 E CB -0.707 29.027 29.700 0.057 0.000 0.752 192 E HN 0.495 nan 8.360 nan 0.000 0.449 193 E N 0.244 120.388 120.200 -0.093 0.000 2.028 193 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 193 E C 2.236 178.696 176.600 -0.234 0.000 0.984 193 E CA 1.406 57.725 56.400 -0.136 0.000 0.800 193 E CB 0.063 29.717 29.700 -0.076 0.000 0.758 193 E HN 0.180 nan 8.360 nan 0.000 0.448 194 V N 1.140 120.798 119.914 -0.427 0.000 2.278 194 V HA -0.100 4.020 4.120 -0.000 0.000 0.238 194 V C -1.003 174.838 176.094 -0.423 0.000 1.039 194 V CA 1.474 63.440 62.300 -0.557 0.000 1.017 194 V CB -1.321 29.875 31.823 -1.044 0.000 0.657 194 V HN 0.169 nan 8.190 nan 0.000 0.462 195 P HA 0.162 nan 4.420 nan 0.000 0.216 195 P C 0.931 178.416 177.300 0.309 0.000 1.156 195 P CA 1.776 64.795 63.100 -0.135 0.000 0.855 195 P CB 0.034 31.668 31.700 -0.111 0.000 0.786 196 G N -0.988 107.921 108.800 0.182 0.000 2.173 196 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.174 196 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.174 196 G C -0.880 174.156 174.900 0.226 0.000 1.025 196 G CA -0.489 44.796 45.100 0.308 0.000 0.706 196 G HN 0.221 nan 8.290 nan 0.000 0.499 197 D N 1.118 121.624 120.400 0.177 0.000 2.446 197 D HA 0.281 4.921 4.640 -0.000 0.000 0.251 197 D C 0.259 176.524 176.300 -0.059 0.000 1.137 197 D CA -0.372 53.668 54.000 0.067 0.000 0.890 197 D CB 0.909 41.743 40.800 0.057 0.000 1.071 197 D HN 0.471 nan 8.370 nan 0.000 0.528 198 E N 1.101 121.276 120.200 -0.042 0.000 2.053 198 E HA 0.043 4.393 4.350 -0.000 0.000 0.297 198 E C 1.370 177.853 176.600 -0.195 0.000 1.173 198 E CA -0.087 56.271 56.400 -0.070 0.000 1.219 198 E CB 0.370 30.060 29.700 -0.018 0.000 1.103 198 E HN 0.273 nan 8.360 nan 0.000 0.476 199 V N -0.309 119.347 119.914 -0.429 0.000 3.578 199 V HA 0.261 4.381 4.120 -0.000 0.000 0.290 199 V C 0.048 175.925 176.094 -0.361 0.000 1.376 199 V CA -0.177 61.854 62.300 -0.449 0.000 1.083 199 V CB -0.010 31.451 31.823 -0.603 0.000 0.911 199 V HN 0.211 nan 8.190 nan 0.000 0.433 200 L N 1.145 122.216 121.223 -0.254 0.000 2.455 200 L HA 0.932 5.271 4.340 -0.000 0.000 0.264 200 L C -1.462 175.358 176.870 -0.082 0.000 0.968 200 L CA 0.059 54.843 54.840 -0.094 0.000 0.827 200 L CB 2.005 44.126 42.059 0.103 0.000 1.317 200 L HN 0.333 nan 8.230 nan 0.000 0.407 201 D N 1.234 121.543 120.400 -0.153 0.000 2.653 201 D HA 0.375 5.015 4.640 -0.000 0.000 0.258 201 D C -1.105 175.030 176.300 -0.274 0.000 1.252 201 D CA -0.316 53.571 54.000 -0.189 0.000 0.777 201 D CB 1.185 41.945 40.800 -0.067 0.000 1.339 201 D HN 0.086 nan 8.370 nan 0.000 0.422 202 F N 1.133 121.042 119.950 -0.067 0.000 2.490 202 F HA 0.209 4.736 4.527 -0.000 0.000 0.336 202 F C 1.452 177.112 175.800 -0.233 0.000 1.178 202 F CA -0.178 57.739 58.000 -0.138 0.000 1.301 202 F CB 0.286 39.242 39.000 -0.074 0.000 1.175 202 F HN 0.195 nan 8.300 nan 0.000 0.593 203 I N -0.176 120.261 120.570 -0.221 0.000 5.993 203 I HA 0.160 4.330 4.170 -0.000 0.000 0.233 203 I C 0.717 176.703 176.117 -0.218 0.000 0.825 203 I CA -0.255 60.806 61.300 -0.398 0.000 2.082 203 I CB -1.000 36.435 38.000 -0.943 0.000 1.414 203 I HN 0.453 nan 8.210 nan 0.000 0.482 204 E N 1.436 121.499 120.200 -0.227 0.000 2.451 204 E HA 0.115 4.464 4.350 -0.000 0.000 0.256 204 E C 0.114 176.723 176.600 0.016 0.000 1.294 204 E CA -0.279 56.105 56.400 -0.027 0.000 1.005 204 E CB 0.418 30.164 29.700 0.076 0.000 0.990 204 E HN 0.337 nan 8.360 nan 0.000 0.505 205 R N -0.488 120.036 120.500 0.041 0.000 2.719 205 R HA 0.651 4.991 4.340 -0.000 0.000 0.233 205 R C 0.703 177.026 176.300 0.037 0.000 1.257 205 R CA -0.269 55.843 56.100 0.020 0.000 1.109 205 R CB 0.224 30.524 30.300 -0.001 0.000 1.447 205 R HN 0.641 nan 8.270 nan 0.000 0.537 206 G N -0.431 108.354 108.800 -0.024 0.000 2.547 206 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.271 206 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.271 206 G C 0.659 175.486 174.900 -0.122 0.000 1.209 206 G CA 0.400 45.458 45.100 -0.070 0.000 0.959 206 G HN 1.058 nan 8.290 nan 0.000 0.563 207 V N -1.708 118.073 119.914 -0.222 0.000 3.573 207 V HA 0.211 4.331 4.120 -0.000 0.000 0.270 207 V C 1.704 177.659 176.094 -0.231 0.000 1.221 207 V CA 2.092 64.221 62.300 -0.285 0.000 1.163 207 V CB -0.458 31.139 31.823 -0.376 0.000 0.847 207 V HN 0.675 nan 8.190 nan 0.000 0.468 208 H N 0.851 119.962 119.070 0.068 0.000 2.586 208 H HA 0.228 4.784 4.556 -0.000 0.000 0.273 208 H C 1.334 176.808 175.328 0.244 0.000 0.997 208 H CA 0.722 56.852 56.048 0.138 0.000 1.177 208 H CB 0.423 30.252 29.762 0.111 0.000 1.471 208 H HN 0.598 nan 8.280 nan 0.000 0.538 209 T N 0.183 114.916 114.554 0.298 0.000 2.907 209 T HA 0.376 4.726 4.350 -0.000 0.000 0.298 209 T C -0.092 174.844 174.700 0.394 0.000 1.017 209 T CA -0.539 61.721 62.100 0.268 0.000 1.118 209 T CB 0.398 69.371 68.868 0.176 0.000 0.948 209 T HN 0.205 nan 8.240 nan 0.000 0.531 210 F N 1.795 121.866 119.950 0.201 0.000 2.715 210 F HA 0.753 5.280 4.527 -0.000 0.000 0.318 210 F C -1.278 174.564 175.800 0.070 0.000 1.141 210 F CA -1.813 56.249 58.000 0.104 0.000 0.950 210 F CB 0.969 40.006 39.000 0.061 0.000 1.374 210 F HN 0.363 nan 8.300 nan 0.000 0.477 211 I N 1.418 122.103 120.570 0.192 0.000 2.428 211 I HA 0.703 4.873 4.170 -0.000 0.000 0.296 211 I C 0.302 176.499 176.117 0.132 0.000 0.985 211 I CA -0.128 61.152 61.300 -0.033 0.000 1.260 211 I CB 0.891 38.825 38.000 -0.110 0.000 1.389 211 I HN 0.943 nan 8.210 nan 0.000 0.484 212 G N 3.213 112.011 108.800 -0.002 0.000 2.646 212 G HA2 0.487 4.447 3.960 -0.000 0.000 0.291 212 G HA3 0.487 4.447 3.960 -0.000 0.000 0.291 212 G C -1.498 173.381 174.900 -0.036 0.000 1.445 212 G CA -0.308 44.828 45.100 0.059 0.000 0.814 212 G HN 0.511 nan 8.290 nan 0.000 0.495 213 T N -0.212 114.320 114.554 -0.037 0.000 2.916 213 T HA 0.594 4.943 4.350 -0.000 0.000 0.292 213 T C 0.341 174.885 174.700 -0.261 0.000 1.055 213 T CA -0.649 61.368 62.100 -0.138 0.000 1.009 213 T CB 1.527 70.324 68.868 -0.117 0.000 1.118 213 T HN 0.322 nan 8.240 nan 0.000 0.497 214 M N 1.902 121.260 119.600 -0.403 0.000 2.300 214 M HA 0.251 4.731 4.480 -0.000 0.000 0.313 214 M C -0.247 175.491 176.300 -0.937 0.000 0.988 214 M CA 0.307 55.194 55.300 -0.687 0.000 1.012 214 M CB 0.158 32.551 32.600 -0.345 0.000 1.586 214 M HN 0.569 nan 8.290 nan 0.000 0.562 215 D N -0.183 119.848 120.400 -0.615 0.000 2.427 215 D HA 0.216 4.856 4.640 -0.000 0.000 0.224 215 D C 0.696 176.864 176.300 -0.220 0.000 1.157 215 D CA 0.012 53.783 54.000 -0.382 0.000 0.828 215 D CB 0.108 40.777 40.800 -0.219 0.000 0.974 215 D HN 0.095 nan 8.370 nan 0.000 0.498 216 F N 0.448 120.393 119.950 -0.008 0.000 1.957 216 F HA -0.433 4.094 4.527 -0.000 0.000 0.234 216 F C 2.557 178.354 175.800 -0.006 0.000 1.259 216 F CA 1.301 59.302 58.000 0.002 0.000 2.014 216 F CB -1.548 37.450 39.000 -0.003 0.000 0.566 216 F HN 0.256 nan 8.300 nan 0.000 0.248 217 G N 0.630 109.545 108.800 0.193 0.000 2.532 217 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.222 217 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.222 217 G C 0.663 175.607 174.900 0.073 0.000 1.102 217 G CA 0.906 46.061 45.100 0.092 0.000 0.742 217 G HN 0.576 nan 8.290 nan 0.000 0.577 218 L N -0.868 120.387 121.223 0.053 0.000 3.573 218 L HA -0.110 4.229 4.340 -0.000 0.000 0.578 218 L C -1.109 175.806 176.870 0.075 0.000 1.299 218 L CA 0.426 55.292 54.840 0.044 0.000 0.914 218 L CB -1.105 41.023 42.059 0.115 0.000 1.563 218 L HN 0.235 nan 8.230 nan 0.000 0.860 219 P HA -0.103 nan 4.420 nan 0.000 0.218 219 P C 1.063 178.415 177.300 0.086 0.000 1.148 219 P CA 1.146 64.277 63.100 0.051 0.000 0.822 219 P CB 0.204 31.908 31.700 0.006 0.000 0.784 220 S N -0.570 115.183 115.700 0.089 0.000 2.563 220 S HA 0.167 4.637 4.470 -0.000 0.000 0.284 220 S C 1.434 176.126 174.600 0.153 0.000 1.331 220 S CA 0.066 58.364 58.200 0.164 0.000 1.047 220 S CB 0.003 63.388 63.200 0.309 0.000 0.859 220 S HN 0.204 nan 8.310 nan 0.000 0.514 221 G N 2.450 111.244 108.800 -0.010 0.000 3.327 221 G HA2 0.334 4.294 3.960 -0.000 0.000 0.240 221 G HA3 0.334 4.294 3.960 -0.000 0.000 0.240 221 G C -0.162 174.333 174.900 -0.676 0.000 1.222 221 G CA -0.190 44.727 45.100 -0.306 0.000 0.871 221 G HN 0.633 nan 8.290 nan 0.000 0.525 222 F N 0.194 120.224 119.950 0.133 0.000 2.671 222 F HA 0.165 4.691 4.527 -0.000 0.000 0.384 222 F C 1.674 177.639 175.800 0.275 0.000 1.351 222 F CA -0.439 57.641 58.000 0.133 0.000 1.151 222 F CB 0.367 39.394 39.000 0.045 0.000 1.147 222 F HN 0.124 nan 8.300 nan 0.000 0.513 223 S N -0.991 114.984 115.700 0.457 0.000 2.446 223 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 223 S C 2.246 177.077 174.600 0.386 0.000 1.016 223 S CA 0.994 59.531 58.200 0.561 0.000 0.943 223 S CB -0.548 62.988 63.200 0.561 0.000 0.786 223 S HN 0.412 nan 8.310 nan 0.000 0.508 224 G N 2.078 111.084 108.800 0.344 0.000 2.470 224 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 224 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 224 G C 1.383 176.317 174.900 0.056 0.000 1.121 224 G CA 0.656 45.885 45.100 0.215 0.000 0.766 224 G HN 0.524 nan 8.290 nan 0.000 0.553 225 N N 0.828 119.539 118.700 0.019 0.000 2.396 225 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 225 N C 2.332 177.701 175.510 -0.236 0.000 1.028 225 N CA 0.955 53.977 53.050 -0.047 0.000 0.893 225 N CB -0.228 38.319 38.487 0.100 0.000 0.967 225 N HN 0.662 nan 8.380 nan 0.000 0.440 226 I N -1.785 118.579 120.570 -0.343 0.000 2.361 226 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 226 I C 1.573 177.649 176.117 -0.070 0.000 1.133 226 I CA 1.189 62.315 61.300 -0.289 0.000 1.413 226 I CB -1.029 36.864 38.000 -0.179 0.000 1.073 226 I HN -0.147 nan 8.210 nan 0.000 0.424 227 T N 1.118 115.683 114.554 0.019 0.000 2.778 227 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 227 T C 1.438 176.161 174.700 0.039 0.000 1.050 227 T CA 2.008 64.152 62.100 0.074 0.000 1.137 227 T CB -0.329 68.627 68.868 0.147 0.000 0.860 227 T HN 0.503 nan 8.240 nan 0.000 0.468 228 D N 0.180 120.582 120.400 0.005 0.000 2.301 228 D HA 0.173 4.813 4.640 -0.000 0.000 0.206 228 D C 2.029 178.321 176.300 -0.014 0.000 0.979 228 D CA 0.362 54.358 54.000 -0.006 0.000 0.874 228 D CB 0.048 40.832 40.800 -0.026 0.000 0.968 228 D HN 0.411 nan 8.370 nan 0.000 0.510 229 I N 0.413 120.972 120.570 -0.019 0.000 2.333 229 I HA -0.078 4.092 4.170 -0.000 0.000 0.246 229 I C 1.411 177.541 176.117 0.022 0.000 1.106 229 I CA 0.014 61.314 61.300 -0.000 0.000 1.411 229 I CB -0.262 37.740 38.000 0.003 0.000 1.082 229 I HN -0.057 nan 8.210 nan 0.000 0.420 230 C N 5.152 124.466 119.300 0.022 0.000 2.517 230 C HA 0.012 4.472 4.460 -0.000 0.000 0.403 230 C C -0.148 174.878 174.990 0.060 0.000 1.467 230 C CA -1.075 57.971 59.018 0.047 0.000 1.542 230 C CB -0.077 27.695 27.740 0.053 0.000 2.482 230 C HN 0.290 nan 8.230 nan 0.000 0.610 231 P HA -0.040 nan 4.420 nan 0.000 0.223 231 P C 0.476 177.825 177.300 0.081 0.000 1.151 231 P CA 1.386 64.539 63.100 0.089 0.000 0.787 231 P CB -0.198 31.568 31.700 0.111 0.000 0.788 232 V N -3.753 116.204 119.914 0.073 0.000 3.417 232 V HA 0.825 4.945 4.120 -0.000 0.000 0.297 232 V C 1.083 177.244 176.094 0.111 0.000 1.271 232 V CA -0.417 61.944 62.300 0.101 0.000 1.012 232 V CB 0.174 32.070 31.823 0.123 0.000 1.241 232 V HN -0.104 nan 8.190 nan 0.000 0.477 233 G N -1.411 107.468 108.800 0.132 0.000 3.949 233 G HA2 0.539 4.499 3.960 -0.000 0.000 0.295 233 G HA3 0.539 4.499 3.960 -0.000 0.000 0.295 233 G C 0.582 175.549 174.900 0.111 0.000 1.286 233 G CA 0.623 45.796 45.100 0.121 0.000 1.171 233 G HN 1.152 nan 8.290 nan 0.000 0.586 234 A N 0.412 123.294 122.820 0.103 0.000 1.850 234 A HA 0.384 4.703 4.320 -0.000 0.000 0.212 234 A C 1.073 178.713 177.584 0.094 0.000 1.208 234 A CA 0.420 52.512 52.037 0.093 0.000 0.609 234 A CB -0.125 18.925 19.000 0.084 0.000 0.860 234 A HN 0.356 nan 8.150 nan 0.000 0.448 235 L N 1.542 122.820 121.223 0.093 0.000 2.261 235 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 235 L C -1.132 175.803 176.870 0.109 0.000 1.059 235 L CA -0.034 54.867 54.840 0.103 0.000 0.816 235 L CB 0.744 42.861 42.059 0.097 0.000 1.191 235 L HN 0.292 nan 8.230 nan 0.000 0.431 236 L N 2.877 124.169 121.223 0.116 0.000 2.436 236 L HA 0.322 4.662 4.340 -0.000 0.000 0.268 236 L C -0.327 176.627 176.870 0.141 0.000 0.974 236 L CA -0.839 54.072 54.840 0.117 0.000 0.826 236 L CB 2.582 44.695 42.059 0.091 0.000 1.291 236 L HN 0.459 nan 8.230 nan 0.000 0.406 237 D N 2.778 123.293 120.400 0.192 0.000 2.402 237 D HA -0.050 4.590 4.640 -0.000 0.000 0.268 237 D C 0.597 176.995 176.300 0.163 0.000 1.294 237 D CA 0.071 54.243 54.000 0.286 0.000 0.945 237 D CB 1.113 42.122 40.800 0.349 0.000 1.112 237 D HN 0.379 nan 8.370 nan 0.000 0.517 238 L N 4.290 125.559 121.223 0.076 0.000 2.478 238 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 238 L C 2.075 178.962 176.870 0.029 0.000 1.140 238 L CA 1.135 55.974 54.840 -0.001 0.000 0.842 238 L CB -0.718 41.302 42.059 -0.066 0.000 0.953 238 L HN 0.454 nan 8.230 nan 0.000 0.452 239 T N -0.562 114.059 114.554 0.111 0.000 2.849 239 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 239 T C 1.081 175.891 174.700 0.183 0.000 1.066 239 T CA 1.247 63.455 62.100 0.180 0.000 1.130 239 T CB -0.138 68.922 68.868 0.321 0.000 0.864 239 T HN 0.491 nan 8.240 nan 0.000 0.481 240 A N 0.725 123.645 122.820 0.167 0.000 2.956 240 A HA 0.476 4.796 4.320 -0.000 0.000 0.294 240 A C 0.355 177.979 177.584 0.066 0.000 0.993 240 A CA -0.576 51.534 52.037 0.122 0.000 1.032 240 A CB -0.009 19.069 19.000 0.129 0.000 1.129 240 A HN 0.390 nan 8.150 nan 0.000 0.505 241 R N 0.327 120.826 120.500 -0.001 0.000 2.537 241 R HA 0.270 4.610 4.340 -0.000 0.000 0.280 241 R C -0.630 175.684 176.300 0.024 0.000 1.058 241 R CA -0.202 55.832 56.100 -0.110 0.000 1.057 241 R CB -0.021 30.073 30.300 -0.345 0.000 0.973 241 R HN 0.403 nan 8.270 nan 0.000 0.438 242 F N 2.730 122.677 119.950 -0.004 0.000 2.738 242 F HA -0.265 4.261 4.527 -0.000 0.000 0.232 242 F C 0.612 176.395 175.800 -0.030 0.000 1.025 242 F CA 0.520 58.506 58.000 -0.022 0.000 0.895 242 F CB -1.022 37.965 39.000 -0.021 0.000 0.839 242 F HN 0.739 nan 8.300 nan 0.000 0.850 243 R N 0.033 120.614 120.500 0.134 0.000 2.119 243 R HA 0.715 5.055 4.340 -0.000 0.000 0.202 243 R C 0.935 177.222 176.300 -0.021 0.000 1.114 243 R CA 1.159 57.285 56.100 0.042 0.000 1.089 243 R CB 0.100 30.411 30.300 0.018 0.000 1.000 243 R HN 0.396 nan 8.270 nan 0.000 0.487 244 A N 0.723 123.507 122.820 -0.060 0.000 2.586 244 A HA 0.665 4.985 4.320 -0.000 0.000 0.290 244 A C -1.115 176.327 177.584 -0.237 0.000 1.086 244 A CA -0.813 51.132 52.037 -0.153 0.000 0.665 244 A CB 1.196 20.097 19.000 -0.165 0.000 1.279 244 A HN -0.060 nan 8.150 nan 0.000 0.423 245 R N 0.998 121.231 120.500 -0.445 0.000 2.615 245 R HA 0.260 4.600 4.340 -0.000 0.000 0.270 245 R C 0.765 176.656 176.300 -0.681 0.000 1.081 245 R CA -0.785 54.883 56.100 -0.719 0.000 1.154 245 R CB 0.084 29.500 30.300 -1.473 0.000 1.063 245 R HN 0.779 nan 8.270 nan 0.000 0.519 246 N N 1.028 119.450 118.700 -0.464 0.000 2.149 246 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 246 N C 1.658 177.118 175.510 -0.084 0.000 1.019 246 N CA 1.604 54.560 53.050 -0.156 0.000 0.857 246 N CB -0.120 38.393 38.487 0.043 0.000 0.997 246 N HN 0.682 nan 8.380 nan 0.000 0.426 247 W N 1.323 122.630 121.300 0.012 0.000 2.584 247 W HA 0.188 4.847 4.660 -0.000 0.000 0.264 247 W C 1.200 177.720 176.519 0.001 0.000 1.264 247 W CA -0.009 57.340 57.345 0.006 0.000 1.306 247 W CB -0.625 28.839 29.460 0.007 0.000 1.110 247 W HN -0.091 nan 8.180 nan 0.000 0.606 248 E N 0.882 120.781 120.200 -0.501 0.000 2.526 248 E HA -0.023 4.327 4.350 -0.000 0.000 0.198 248 E C 0.647 177.156 176.600 -0.152 0.000 1.091 248 E CA 0.205 56.438 56.400 -0.278 0.000 0.880 248 E CB -0.178 29.279 29.700 -0.406 0.000 0.873 248 E HN 0.207 nan 8.360 nan 0.000 0.527 249 M N 0.590 120.120 119.600 -0.117 0.000 2.277 249 M HA 0.178 4.658 4.480 -0.000 0.000 0.350 249 M C 0.169 176.445 176.300 -0.041 0.000 1.180 249 M CA -0.176 55.075 55.300 -0.080 0.000 1.103 249 M CB 1.040 33.594 32.600 -0.077 0.000 1.577 249 M HN -0.134 nan 8.290 nan 0.000 0.459 250 E N 2.175 122.346 120.200 -0.048 0.000 1.998 250 E HA 0.207 4.557 4.350 -0.000 0.000 0.257 250 E C -0.889 175.687 176.600 -0.039 0.000 1.038 250 E CA -0.173 56.207 56.400 -0.034 0.000 0.869 250 E CB 0.376 30.054 29.700 -0.037 0.000 1.135 250 E HN 0.537 nan 8.360 nan 0.000 0.430 251 E N 2.118 122.303 120.200 -0.025 0.000 2.415 251 E HA 0.062 4.412 4.350 -0.000 0.000 0.263 251 E C -0.750 175.837 176.600 -0.021 0.000 0.995 251 E CA 0.482 56.867 56.400 -0.025 0.000 0.915 251 E CB 1.041 30.736 29.700 -0.009 0.000 0.951 251 E HN 0.270 nan 8.360 nan 0.000 0.449 252 T N 5.285 119.823 114.554 -0.026 0.000 2.934 252 T HA 0.254 4.604 4.350 -0.000 0.000 0.328 252 T C -2.449 172.252 174.700 0.002 0.000 1.068 252 T CA -1.590 60.501 62.100 -0.016 0.000 1.018 252 T CB 1.023 69.875 68.868 -0.027 0.000 1.009 252 T HN 0.292 nan 8.240 nan 0.000 0.471 253 P HA 0.274 nan 4.420 nan 0.000 0.276 253 P C -0.316 177.006 177.300 0.036 0.000 1.264 253 P CA 0.232 63.345 63.100 0.022 0.000 0.769 253 P CB 1.177 32.887 31.700 0.018 0.000 0.840 254 T N 1.920 116.508 114.554 0.056 0.000 2.572 254 T HA 0.547 4.897 4.350 -0.000 0.000 0.274 254 T C -0.927 173.831 174.700 0.098 0.000 0.949 254 T CA -0.174 61.973 62.100 0.079 0.000 1.126 254 T CB 1.053 69.977 68.868 0.092 0.000 1.478 254 T HN 0.266 nan 8.240 nan 0.000 0.492 255 T N 0.549 115.183 114.554 0.133 0.000 2.906 255 T HA 0.509 4.859 4.350 -0.000 0.000 0.295 255 T C -0.913 173.921 174.700 0.223 0.000 1.061 255 T CA -0.427 61.753 62.100 0.133 0.000 1.000 255 T CB 1.303 70.223 68.868 0.088 0.000 1.103 255 T HN 0.802 nan 8.240 nan 0.000 0.486 256 C N 2.241 121.642 119.300 0.169 0.000 2.452 256 C HA 0.750 5.210 4.460 -0.000 0.000 0.379 256 C C 1.079 175.967 174.990 -0.171 0.000 1.275 256 C CA -0.222 58.898 59.018 0.170 0.000 2.056 256 C CB -0.990 26.828 27.740 0.131 0.000 2.506 256 C HN 0.974 nan 8.230 nan 0.000 0.560 257 A N 5.593 127.922 122.820 -0.818 0.000 2.749 257 A HA 0.353 4.673 4.320 -0.000 0.000 0.299 257 A C 0.902 178.063 177.584 -0.706 0.000 1.105 257 A CA -0.180 51.364 52.037 -0.821 0.000 0.987 257 A CB -0.186 18.242 19.000 -0.953 0.000 1.180 257 A HN 0.916 nan 8.150 nan 0.000 0.528 258 L N -0.370 120.586 121.223 -0.446 0.000 2.375 258 L HA 0.105 4.445 4.340 -0.000 0.000 0.215 258 L C 1.052 177.827 176.870 -0.158 0.000 1.108 258 L CA 0.804 55.522 54.840 -0.203 0.000 0.830 258 L CB 0.278 42.272 42.059 -0.108 0.000 0.959 258 L HN 0.815 nan 8.230 nan 0.000 0.457 259 C N -4.533 114.676 119.300 -0.152 0.000 3.314 259 C HA 0.412 4.872 4.460 -0.000 0.000 0.344 259 C C -2.032 172.902 174.990 -0.094 0.000 1.461 259 C CA -1.118 57.821 59.018 -0.131 0.000 1.249 259 C CB 0.775 28.444 27.740 -0.118 0.000 1.632 259 C HN -0.135 nan 8.230 nan 0.000 0.452 260 P HA -0.011 nan 4.420 nan 0.000 0.229 260 P C 1.578 178.860 177.300 -0.030 0.000 1.160 260 P CA 1.722 64.794 63.100 -0.045 0.000 0.777 260 P CB -0.082 31.598 31.700 -0.034 0.000 0.814 261 V N -2.717 117.182 119.914 -0.025 0.000 2.667 261 V HA 0.157 4.277 4.120 -0.000 0.000 0.252 261 V C 1.273 177.365 176.094 -0.004 0.000 1.065 261 V CA 1.093 63.391 62.300 -0.005 0.000 1.083 261 V CB -1.924 29.908 31.823 0.015 0.000 0.692 261 V HN 0.270 nan 8.190 nan 0.000 0.468 262 G N 0.097 108.886 108.800 -0.018 0.000 2.374 262 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.289 262 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.289 262 G C 0.218 175.125 174.900 0.011 0.000 1.004 262 G CA 0.248 45.340 45.100 -0.012 0.000 1.292 262 G HN 0.783 nan 8.290 nan 0.000 0.502 263 C N -0.295 119.018 119.300 0.022 0.000 2.238 263 C HA 0.737 5.197 4.460 -0.000 0.000 0.239 263 C C 1.692 176.707 174.990 0.040 0.000 2.797 263 C CA 0.715 59.754 59.018 0.036 0.000 1.734 263 C CB 0.076 27.846 27.740 0.050 0.000 1.903 263 C HN 1.607 nan 8.230 nan 0.000 0.497 264 G N 0.097 108.923 108.800 0.043 0.000 2.618 264 G HA2 0.642 4.602 3.960 -0.000 0.000 0.280 264 G HA3 0.642 4.602 3.960 -0.000 0.000 0.280 264 G C -0.991 173.936 174.900 0.045 0.000 1.458 264 G CA -0.306 44.819 45.100 0.042 0.000 1.224 264 G HN 0.688 nan 8.290 nan 0.000 0.576 265 I N -0.800 119.811 120.570 0.068 0.000 3.237 265 I HA 0.877 5.047 4.170 -0.000 0.000 0.308 265 I C -0.319 175.826 176.117 0.048 0.000 1.093 265 I CA -1.173 60.166 61.300 0.066 0.000 1.001 265 I CB 2.488 40.560 38.000 0.121 0.000 1.245 265 I HN 0.203 nan 8.210 nan 0.000 0.485 266 T N 1.712 116.282 114.554 0.027 0.000 2.879 266 T HA 0.648 4.998 4.350 -0.000 0.000 0.290 266 T C -0.571 174.118 174.700 -0.019 0.000 0.993 266 T CA -0.474 61.630 62.100 0.007 0.000 0.975 266 T CB 1.558 70.422 68.868 -0.005 0.000 0.981 266 T HN 0.804 nan 8.240 nan 0.000 0.439 267 A N 3.134 125.933 122.820 -0.035 0.000 2.289 267 A HA 0.586 4.905 4.320 -0.000 0.000 0.298 267 A C -0.303 177.207 177.584 -0.123 0.000 1.208 267 A CA -0.646 51.323 52.037 -0.114 0.000 0.845 267 A CB 0.261 19.173 19.000 -0.146 0.000 1.125 267 A HN 0.726 nan 8.150 nan 0.000 0.517 268 D N 2.630 122.938 120.400 -0.153 0.000 2.274 268 D HA 0.471 5.111 4.640 -0.000 0.000 0.239 268 D C 0.301 176.507 176.300 -0.157 0.000 1.104 268 D CA 0.385 54.309 54.000 -0.127 0.000 0.840 268 D CB 1.675 42.412 40.800 -0.104 0.000 1.100 268 D HN 0.663 nan 8.370 nan 0.000 0.477 269 T N -0.403 114.075 114.554 -0.126 0.000 2.864 269 T HA 0.734 5.084 4.350 -0.000 0.000 0.289 269 T C -0.302 174.341 174.700 -0.094 0.000 1.082 269 T CA -1.119 60.906 62.100 -0.125 0.000 1.009 269 T CB 2.708 71.500 68.868 -0.127 0.000 1.234 269 T HN 0.384 nan 8.240 nan 0.000 0.526 270 R N 0.396 120.845 120.500 -0.086 0.000 3.119 270 R HA 0.404 4.744 4.340 -0.000 0.000 0.294 270 R C -1.150 175.115 176.300 -0.059 0.000 1.267 270 R CA -0.001 56.057 56.100 -0.069 0.000 1.078 270 R CB 0.141 30.397 30.300 -0.074 0.000 1.320 270 R HN 0.954 nan 8.270 nan 0.000 0.380 271 S N 2.060 117.730 115.700 -0.050 0.000 3.931 271 S HA -0.106 4.363 4.470 -0.000 0.000 0.318 271 S C 0.748 175.320 174.600 -0.046 0.000 1.098 271 S CA 1.128 59.304 58.200 -0.041 0.000 0.900 271 S CB -1.351 61.828 63.200 -0.035 0.000 0.886 271 S HN 1.432 nan 8.310 nan 0.000 0.513 272 G N 0.482 109.249 108.800 -0.055 0.000 2.155 272 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 272 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 272 G C -0.341 174.513 174.900 -0.078 0.000 0.983 272 G CA 0.856 45.919 45.100 -0.061 0.000 0.676 272 G HN 1.084 nan 8.290 nan 0.000 0.528 273 E N -0.732 119.416 120.200 -0.086 0.000 2.227 273 E HA 0.706 5.056 4.350 -0.000 0.000 0.268 273 E C -0.677 175.837 176.600 -0.144 0.000 0.907 273 E CA -1.480 54.859 56.400 -0.102 0.000 0.786 273 E CB 2.179 31.836 29.700 -0.072 0.000 1.191 273 E HN 0.216 nan 8.360 nan 0.000 0.411 274 L N 3.643 124.753 121.223 -0.189 0.000 2.283 274 L HA 0.092 4.432 4.340 -0.000 0.000 0.287 274 L C -0.134 176.572 176.870 -0.273 0.000 1.073 274 L CA -0.237 54.430 54.840 -0.290 0.000 0.822 274 L CB 0.635 42.442 42.059 -0.419 0.000 1.186 274 L HN 0.743 nan 8.230 nan 0.000 0.436 275 L N 4.136 125.200 121.223 -0.264 0.000 2.189 275 L HA 0.329 4.669 4.340 -0.000 0.000 0.199 275 L C 0.877 177.598 176.870 -0.248 0.000 1.074 275 L CA 0.974 55.702 54.840 -0.186 0.000 0.783 275 L CB -0.675 41.310 42.059 -0.123 0.000 0.955 275 L HN 0.722 nan 8.230 nan 0.000 0.460 276 R N -0.591 119.720 120.500 -0.314 0.000 2.604 276 R HA 0.451 4.790 4.340 -0.000 0.000 0.270 276 R C -1.703 174.456 176.300 -0.235 0.000 1.052 276 R CA -0.530 55.442 56.100 -0.213 0.000 0.902 276 R CB 1.890 32.157 30.300 -0.056 0.000 1.233 276 R HN -0.118 nan 8.270 nan 0.000 0.455 277 I N 4.452 124.960 120.570 -0.103 0.000 2.362 277 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 277 I C -0.020 176.078 176.117 -0.032 0.000 0.994 277 I CA -0.587 60.682 61.300 -0.051 0.000 1.158 277 I CB 1.571 39.599 38.000 0.048 0.000 1.315 277 I HN 0.642 nan 8.210 nan 0.000 0.451 278 R N 3.516 123.998 120.500 -0.030 0.000 2.919 278 R HA 0.830 5.170 4.340 -0.000 0.000 0.260 278 R C -0.507 175.783 176.300 -0.017 0.000 1.067 278 R CA -0.914 55.169 56.100 -0.028 0.000 1.003 278 R CB 1.921 32.209 30.300 -0.020 0.000 1.192 278 R HN 0.667 nan 8.270 nan 0.000 0.488 279 A N 1.348 124.154 122.820 -0.024 0.000 2.289 279 A HA 0.338 4.658 4.320 -0.000 0.000 0.298 279 A C -0.287 177.277 177.584 -0.032 0.000 1.208 279 A CA -0.449 51.576 52.037 -0.020 0.000 0.845 279 A CB 0.484 19.467 19.000 -0.028 0.000 1.125 279 A HN 0.664 nan 8.150 nan 0.000 0.517 280 R N 2.104 122.595 120.500 -0.016 0.000 2.308 280 R HA 0.208 4.548 4.340 -0.000 0.000 0.305 280 R C 0.024 176.304 176.300 -0.034 0.000 1.053 280 R CA -0.255 55.834 56.100 -0.018 0.000 0.957 280 R CB 0.536 30.838 30.300 0.003 0.000 1.022 280 R HN 0.857 nan 8.270 nan 0.000 0.461 281 E N 3.436 123.610 120.200 -0.044 0.000 2.324 281 E HA 0.105 4.455 4.350 -0.000 0.000 0.271 281 E C -1.336 175.249 176.600 -0.024 0.000 1.028 281 E CA -0.224 56.144 56.400 -0.052 0.000 0.890 281 E CB 1.118 30.790 29.700 -0.046 0.000 1.004 281 E HN 0.352 nan 8.360 nan 0.000 0.431 282 V N 7.625 127.524 119.914 -0.025 0.000 2.791 282 V HA 0.218 4.338 4.120 -0.000 0.000 0.258 282 V C -2.128 173.963 176.094 -0.005 0.000 0.875 282 V CA -1.412 60.883 62.300 -0.008 0.000 0.922 282 V CB 1.490 33.311 31.823 -0.002 0.000 1.034 282 V HN 0.728 nan 8.190 nan 0.000 0.492 283 P HA -0.210 nan 4.420 nan 0.000 0.216 283 P C 1.269 178.578 177.300 0.015 0.000 1.154 283 P CA 1.766 64.881 63.100 0.026 0.000 0.865 283 P CB 0.275 32.008 31.700 0.054 0.000 0.789 284 E N -0.393 119.813 120.200 0.010 0.000 2.219 284 E HA -0.104 4.246 4.350 -0.000 0.000 0.198 284 E C 1.823 178.427 176.600 0.007 0.000 0.998 284 E CA 0.796 57.201 56.400 0.007 0.000 0.818 284 E CB -1.038 28.664 29.700 0.002 0.000 0.741 284 E HN 0.275 nan 8.360 nan 0.000 0.477 285 V N 1.634 121.551 119.914 0.005 0.000 5.812 285 V HA 0.071 4.191 4.120 -0.000 0.000 0.138 285 V C -0.581 175.521 176.094 0.013 0.000 1.053 285 V CA -0.043 62.263 62.300 0.009 0.000 1.322 285 V CB 0.642 32.472 31.823 0.011 0.000 2.412 285 V HN 0.267 nan 8.190 nan 0.000 0.316 286 N N 1.153 119.865 118.700 0.021 0.000 2.483 286 N HA 0.026 4.766 4.740 -0.000 0.000 0.264 286 N C 0.276 175.771 175.510 -0.025 0.000 1.197 286 N CA 0.332 53.403 53.050 0.036 0.000 0.927 286 N CB 1.676 40.201 38.487 0.064 0.000 1.065 286 N HN 0.663 nan 8.380 nan 0.000 0.461 287 E N 1.680 121.834 120.200 -0.077 0.000 1.998 287 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 287 E C 1.042 177.461 176.600 -0.302 0.000 0.994 287 E CA 1.795 58.054 56.400 -0.234 0.000 0.835 287 E CB -0.010 29.363 29.700 -0.546 0.000 0.786 287 E HN 0.857 nan 8.360 nan 0.000 0.467 288 I N -3.390 116.783 120.570 -0.661 0.000 3.813 288 I HA 0.334 4.504 4.170 -0.000 0.000 0.323 288 I C -0.887 174.866 176.117 -0.606 0.000 1.536 288 I CA -0.594 60.340 61.300 -0.611 0.000 1.083 288 I CB 0.095 37.696 38.000 -0.666 0.000 1.265 288 I HN 0.019 nan 8.210 nan 0.000 0.507 289 W N 1.242 122.547 121.300 0.008 0.000 2.647 289 W HA 0.779 5.439 4.660 -0.000 0.000 0.353 289 W C -0.410 176.132 176.519 0.039 0.000 1.080 289 W CA -1.025 56.339 57.345 0.031 0.000 1.208 289 W CB 1.705 31.194 29.460 0.049 0.000 1.396 289 W HN -0.211 nan 8.180 nan 0.000 0.573 290 I N 2.230 123.001 120.570 0.335 0.000 2.752 290 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 290 I C -0.044 176.180 176.117 0.177 0.000 1.219 290 I CA -1.543 59.861 61.300 0.174 0.000 1.030 290 I CB 1.011 39.049 38.000 0.062 0.000 1.259 290 I HN 0.722 nan 8.210 nan 0.000 0.423 291 C N 3.082 122.430 119.300 0.079 0.000 2.362 291 C HA 0.494 4.954 4.460 -0.000 0.000 0.363 291 C C 1.523 176.348 174.990 -0.276 0.000 1.220 291 C CA -0.303 58.674 59.018 -0.068 0.000 2.379 291 C CB 1.190 28.830 27.740 -0.167 0.000 2.351 291 C HN 0.817 nan 8.230 nan 0.000 0.582 292 D N 0.979 121.133 120.400 -0.409 0.000 2.144 292 D HA -0.033 4.607 4.640 -0.000 0.000 0.200 292 D C 2.306 178.166 176.300 -0.733 0.000 0.978 292 D CA 2.056 55.806 54.000 -0.417 0.000 0.833 292 D CB -0.431 40.285 40.800 -0.140 0.000 0.961 292 D HN 0.829 nan 8.370 nan 0.000 0.470 293 A N 0.623 122.752 122.820 -1.151 0.000 1.933 293 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 293 A C 2.334 179.586 177.584 -0.554 0.000 1.175 293 A CA 2.002 53.143 52.037 -1.493 0.000 0.628 293 A CB -0.936 17.244 19.000 -1.367 0.000 0.814 293 A HN 0.307 nan 8.150 nan 0.000 0.444 294 G N -0.854 107.739 108.800 -0.345 0.000 2.448 294 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 294 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 294 G C 1.676 176.568 174.900 -0.014 0.000 1.135 294 G CA 0.930 45.984 45.100 -0.075 0.000 0.784 294 G HN 0.602 nan 8.290 nan 0.000 0.543 295 R N -1.247 119.126 120.500 -0.212 0.000 2.146 295 R HA 0.220 4.560 4.340 -0.000 0.000 0.206 295 R C 1.272 177.422 176.300 -0.250 0.000 1.049 295 R CA 0.361 56.292 56.100 -0.281 0.000 1.029 295 R CB -0.059 29.903 30.300 -0.563 0.000 0.949 295 R HN 0.257 nan 8.270 nan 0.000 0.471 296 F N 0.238 120.078 119.950 -0.184 0.000 2.721 296 F HA 0.409 4.936 4.527 -0.000 0.000 0.301 296 F C 1.073 176.725 175.800 -0.246 0.000 1.096 296 F CA -0.070 57.718 58.000 -0.353 0.000 1.308 296 F CB 0.832 39.259 39.000 -0.956 0.000 1.086 296 F HN 0.053 nan 8.300 nan 0.000 0.587 297 G N -0.307 108.581 108.800 0.147 0.000 3.444 297 G HA2 0.373 4.333 3.960 -0.000 0.000 0.315 297 G HA3 0.373 4.333 3.960 -0.000 0.000 0.315 297 G C -0.097 175.084 174.900 0.468 0.000 1.079 297 G CA -0.085 45.233 45.100 0.363 0.000 1.500 297 G HN 0.501 nan 8.290 nan 0.000 0.518 298 H N -2.114 117.209 119.070 0.421 0.000 3.650 298 H HA 0.181 4.737 4.556 -0.000 0.000 0.260 298 H C 1.071 176.421 175.328 0.038 0.000 1.194 298 H CA -0.247 55.932 56.048 0.219 0.000 1.135 298 H CB 0.035 29.783 29.762 -0.023 0.000 1.612 298 H HN 0.402 nan 8.280 nan 0.000 0.703 299 E N 1.442 121.815 120.200 0.288 0.000 2.482 299 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 299 E C 0.911 177.648 176.600 0.229 0.000 1.047 299 E CA 0.835 57.383 56.400 0.246 0.000 0.869 299 E CB -0.060 29.749 29.700 0.181 0.000 0.836 299 E HN 0.744 nan 8.360 nan 0.000 0.520 300 W N 0.238 121.661 121.300 0.206 0.000 2.494 300 W HA 0.218 4.878 4.660 -0.000 0.000 0.286 300 W C 1.791 178.506 176.519 0.326 0.000 1.218 300 W CA 0.775 58.260 57.345 0.233 0.000 1.313 300 W CB -0.784 28.806 29.460 0.215 0.000 1.105 300 W HN -0.026 nan 8.180 nan 0.000 0.561 301 A N 1.419 123.595 122.820 -1.074 0.000 2.019 301 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 301 A C 1.834 179.231 177.584 -0.312 0.000 1.164 301 A CA 1.938 53.462 52.037 -0.856 0.000 0.644 301 A CB -0.873 17.531 19.000 -0.993 0.000 0.805 301 A HN 0.179 nan 8.150 nan 0.000 0.449 302 D N -0.548 119.730 120.400 -0.205 0.000 2.097 302 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 302 D C 1.898 178.170 176.300 -0.046 0.000 0.989 302 D CA 1.073 55.011 54.000 -0.104 0.000 0.827 302 D CB 0.046 40.826 40.800 -0.033 0.000 0.966 302 D HN 0.536 nan 8.370 nan 0.000 0.456 303 Q N 0.431 120.246 119.800 0.024 0.000 2.986 303 Q HA 0.089 4.429 4.340 -0.000 0.000 0.310 303 Q C 0.351 176.375 176.000 0.040 0.000 1.148 303 Q CA -0.293 55.545 55.803 0.058 0.000 0.373 303 Q CB -0.515 28.293 28.738 0.117 0.000 5.539 303 Q HN 0.105 nan 8.270 nan 0.000 0.325 304 N N 2.170 120.933 118.700 0.105 0.000 2.440 304 N HA 0.059 4.799 4.740 -0.000 0.000 0.265 304 N C -0.314 175.146 175.510 -0.083 0.000 1.239 304 N CA 0.642 53.734 53.050 0.070 0.000 0.909 304 N CB 0.474 39.049 38.487 0.146 0.000 1.066 304 N HN 0.189 nan 8.380 nan 0.000 0.474 305 R N 1.258 121.665 120.500 -0.155 0.000 2.626 305 R HA 0.299 4.639 4.340 -0.000 0.000 0.274 305 R C -0.893 175.328 176.300 -0.131 0.000 1.031 305 R CA -0.973 54.934 56.100 -0.322 0.000 0.898 305 R CB 1.898 32.029 30.300 -0.282 0.000 1.222 305 R HN 0.376 nan 8.270 nan 0.000 0.455 306 L N 2.813 123.976 121.223 -0.099 0.000 2.361 306 L HA 0.259 4.599 4.340 -0.000 0.000 0.278 306 L C 0.501 177.376 176.870 0.008 0.000 1.113 306 L CA 0.948 55.784 54.840 -0.006 0.000 0.849 306 L CB 0.518 42.602 42.059 0.042 0.000 1.155 306 L HN 0.625 nan 8.230 nan 0.000 0.452 307 K N 1.959 122.371 120.400 0.021 0.000 2.436 307 K HA 0.177 4.497 4.320 -0.000 0.000 0.198 307 K C 0.006 176.649 176.600 0.072 0.000 1.174 307 K CA 0.648 56.961 56.287 0.044 0.000 0.951 307 K CB 0.610 33.126 32.500 0.027 0.000 1.040 307 K HN 0.784 nan 8.250 nan 0.000 0.536 308 T N 0.745 115.324 114.554 0.041 0.000 2.856 308 T HA 0.381 4.731 4.350 -0.000 0.000 0.283 308 T C -2.957 171.715 174.700 -0.046 0.000 1.008 308 T CA -2.548 59.564 62.100 0.020 0.000 0.997 308 T CB 2.014 70.889 68.868 0.013 0.000 0.992 308 T HN -0.215 nan 8.240 nan 0.000 0.454 309 P HA 0.227 nan 4.420 nan 0.000 0.267 309 P C -0.593 176.622 177.300 -0.142 0.000 1.209 309 P CA -0.276 62.661 63.100 -0.272 0.000 0.763 309 P CB 0.517 31.832 31.700 -0.642 0.000 0.816 310 L N 3.487 124.658 121.223 -0.087 0.000 2.334 310 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 310 L C 0.511 177.366 176.870 -0.025 0.000 1.036 310 L CA -0.949 53.869 54.840 -0.037 0.000 0.807 310 L CB 1.881 43.935 42.059 -0.008 0.000 1.231 310 L HN 0.161 nan 8.230 nan 0.000 0.438 311 V N 3.117 123.031 119.914 0.001 0.000 2.876 311 V HA 0.474 4.594 4.120 -0.000 0.000 0.312 311 V C -0.530 175.595 176.094 0.051 0.000 1.085 311 V CA -0.753 61.567 62.300 0.034 0.000 0.945 311 V CB 2.442 34.285 31.823 0.032 0.000 1.017 311 V HN 0.838 nan 8.190 nan 0.000 0.428 312 R N 3.882 124.433 120.500 0.085 0.000 2.389 312 R HA 0.395 4.735 4.340 -0.000 0.000 0.295 312 R C -0.073 176.265 176.300 0.064 0.000 1.075 312 R CA -0.016 56.136 56.100 0.087 0.000 1.005 312 R CB 1.128 31.515 30.300 0.145 0.000 0.987 312 R HN 0.818 nan 8.270 nan 0.000 0.452 313 K N 1.328 121.756 120.400 0.046 0.000 2.831 313 K HA 0.184 4.504 4.320 -0.000 0.000 0.251 313 K C -0.135 176.481 176.600 0.027 0.000 1.221 313 K CA 0.191 56.496 56.287 0.031 0.000 0.976 313 K CB 0.477 32.992 32.500 0.024 0.000 1.745 313 K HN 0.421 nan 8.250 nan 0.000 0.414 314 E N 0.987 121.201 120.200 0.024 0.000 2.354 314 E HA 0.220 4.570 4.350 -0.000 0.000 0.260 314 E C -0.063 176.552 176.600 0.024 0.000 1.405 314 E CA 0.335 56.747 56.400 0.020 0.000 1.728 314 E CB 0.088 29.797 29.700 0.016 0.000 1.471 314 E HN 0.702 nan 8.360 nan 0.000 0.441 315 G N 2.336 111.156 108.800 0.033 0.000 2.155 315 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 315 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 315 G C 0.357 175.280 174.900 0.039 0.000 0.983 315 G CA 0.859 45.981 45.100 0.038 0.000 0.676 315 G HN 0.447 nan 8.290 nan 0.000 0.528 316 R N -1.400 119.124 120.500 0.039 0.000 2.888 316 R HA 0.864 5.204 4.340 -0.000 0.000 0.264 316 R C -0.573 175.751 176.300 0.040 0.000 1.045 316 R CA -1.304 54.818 56.100 0.036 0.000 0.962 316 R CB 1.062 31.379 30.300 0.028 0.000 1.210 316 R HN 0.055 nan 8.270 nan 0.000 0.479 317 L N 1.105 122.349 121.223 0.035 0.000 2.334 317 L HA 0.676 5.016 4.340 -0.000 0.000 0.275 317 L C -0.026 176.858 176.870 0.024 0.000 1.036 317 L CA -1.001 53.857 54.840 0.031 0.000 0.807 317 L CB 1.203 43.279 42.059 0.028 0.000 1.231 317 L HN 0.533 nan 8.230 nan 0.000 0.438 318 V N -0.187 119.738 119.914 0.020 0.000 3.159 318 V HA 0.329 4.449 4.120 -0.000 0.000 0.308 318 V C -0.152 175.947 176.094 0.007 0.000 1.190 318 V CA -1.002 61.307 62.300 0.015 0.000 1.037 318 V CB 2.557 34.389 31.823 0.016 0.000 1.060 318 V HN 0.799 nan 8.190 nan 0.000 0.437 319 E N 1.068 121.272 120.200 0.007 0.000 2.351 319 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 319 E C -0.269 176.331 176.600 -0.001 0.000 1.031 319 E CA 0.239 56.640 56.400 0.002 0.000 0.911 319 E CB 0.854 30.560 29.700 0.010 0.000 0.986 319 E HN 0.854 nan 8.360 nan 0.000 0.446 320 A N 3.709 126.518 122.820 -0.018 0.000 2.470 320 A HA 0.703 5.023 4.320 -0.000 0.000 0.271 320 A C -0.507 177.061 177.584 -0.026 0.000 1.269 320 A CA -0.653 51.374 52.037 -0.017 0.000 0.828 320 A CB 1.756 20.739 19.000 -0.027 0.000 1.374 320 A HN 0.601 nan 8.150 nan 0.000 0.454 321 T N -1.436 113.116 114.554 -0.003 0.000 2.949 321 T HA 0.340 4.690 4.350 -0.000 0.000 0.287 321 T C 0.239 174.948 174.700 0.014 0.000 1.034 321 T CA -0.209 61.918 62.100 0.045 0.000 1.018 321 T CB 0.760 69.696 68.868 0.113 0.000 1.135 321 T HN 0.603 nan 8.240 nan 0.000 0.532 322 W N 0.415 121.760 121.300 0.075 0.000 2.538 322 W HA 0.020 4.679 4.660 -0.000 0.000 0.254 322 W C 2.133 178.730 176.519 0.129 0.000 1.249 322 W CA 0.459 57.858 57.345 0.091 0.000 1.253 322 W CB -0.131 29.361 29.460 0.053 0.000 1.130 322 W HN 0.729 nan 8.180 nan 0.000 0.618 323 E N 0.542 120.915 120.200 0.288 0.000 2.014 323 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 323 E C 1.845 178.555 176.600 0.184 0.000 0.980 323 E CA 1.510 58.051 56.400 0.236 0.000 0.807 323 E CB -0.435 29.364 29.700 0.164 0.000 0.770 323 E HN 0.248 nan 8.360 nan 0.000 0.451 324 E N 0.058 120.325 120.200 0.111 0.000 2.267 324 E HA -0.184 4.165 4.350 -0.000 0.000 0.197 324 E C 1.708 178.340 176.600 0.054 0.000 0.998 324 E CA 0.821 57.260 56.400 0.064 0.000 0.830 324 E CB -0.076 29.646 29.700 0.038 0.000 0.751 324 E HN 0.247 nan 8.360 nan 0.000 0.491 325 A N 1.116 123.975 122.820 0.064 0.000 1.871 325 A HA -0.052 4.268 4.320 -0.000 0.000 0.211 325 A C 1.861 179.532 177.584 0.146 0.000 1.207 325 A CA 0.314 52.374 52.037 0.038 0.000 0.620 325 A CB -0.542 18.379 19.000 -0.131 0.000 0.860 325 A HN 0.291 nan 8.150 nan 0.000 0.450 326 F N 0.818 120.821 119.950 0.088 0.000 2.333 326 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 326 F C 1.658 177.498 175.800 0.067 0.000 1.083 326 F CA 1.036 59.102 58.000 0.111 0.000 1.395 326 F CB -0.152 38.935 39.000 0.145 0.000 1.056 326 F HN 0.116 nan 8.300 nan 0.000 0.529 327 L N -0.547 120.637 121.223 -0.064 0.000 2.071 327 L HA -0.013 4.327 4.340 -0.000 0.000 0.201 327 L C 2.757 179.545 176.870 -0.137 0.000 1.076 327 L CA 0.994 55.730 54.840 -0.174 0.000 0.755 327 L CB -1.291 40.735 42.059 -0.055 0.000 0.915 327 L HN 0.089 nan 8.230 nan 0.000 0.445 328 A N -0.151 122.644 122.820 -0.042 0.000 2.139 328 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 328 A C 2.151 179.730 177.584 -0.008 0.000 1.159 328 A CA 1.608 53.637 52.037 -0.015 0.000 0.662 328 A CB -0.548 18.478 19.000 0.044 0.000 0.796 328 A HN 0.378 nan 8.150 nan 0.000 0.463 329 L N -1.242 119.978 121.223 -0.005 0.000 2.249 329 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 329 L C 2.118 178.898 176.870 -0.150 0.000 1.090 329 L CA 1.543 56.417 54.840 0.056 0.000 0.802 329 L CB -0.188 41.959 42.059 0.148 0.000 0.947 329 L HN 0.231 nan 8.230 nan 0.000 0.453 330 K N -0.508 119.726 120.400 -0.278 0.000 2.097 330 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 330 K C 1.949 178.376 176.600 -0.289 0.000 1.050 330 K CA 1.320 57.416 56.287 -0.318 0.000 0.938 330 K CB 0.039 32.298 32.500 -0.402 0.000 0.718 330 K HN 0.238 nan 8.250 nan 0.000 0.442 331 E N 0.537 120.574 120.200 -0.272 0.000 2.047 331 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 331 E C 1.816 178.185 176.600 -0.386 0.000 0.987 331 E CA 1.708 57.952 56.400 -0.261 0.000 0.799 331 E CB -0.470 29.117 29.700 -0.188 0.000 0.752 331 E HN 0.276 nan 8.360 nan 0.000 0.449 332 G N -0.360 108.061 108.800 -0.631 0.000 2.625 332 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.214 332 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.214 332 G C 1.166 175.457 174.900 -1.016 0.000 1.132 332 G CA 0.611 45.010 45.100 -1.168 0.000 0.782 332 G HN 0.310 nan 8.290 nan 0.000 0.538 333 L N -0.857 119.975 121.223 -0.652 0.000 2.966 333 L HA 0.281 4.621 4.340 -0.000 0.000 0.262 333 L C 2.231 178.872 176.870 -0.383 0.000 1.165 333 L CA -0.087 54.458 54.840 -0.491 0.000 0.978 333 L CB 0.261 42.151 42.059 -0.281 0.000 1.337 333 L HN 0.117 nan 8.230 nan 0.000 0.563 334 K N 1.445 121.652 120.400 -0.321 0.000 2.001 334 K HA -0.147 4.173 4.320 -0.000 0.000 0.214 334 K C 0.551 177.026 176.600 -0.208 0.000 1.050 334 K CA 1.370 57.521 56.287 -0.226 0.000 0.934 334 K CB 0.224 32.611 32.500 -0.189 0.000 0.718 334 K HN 0.146 nan 8.250 nan 0.000 0.443 335 E N 0.852 120.920 120.200 -0.220 0.000 2.341 335 E HA 0.195 4.545 4.350 -0.000 0.000 0.279 335 E C -1.105 175.353 176.600 -0.237 0.000 1.395 335 E CA -0.086 56.218 56.400 -0.160 0.000 1.648 335 E CB 0.929 30.578 29.700 -0.086 0.000 1.524 335 E HN 0.322 nan 8.360 nan 0.000 0.462 336 A N 2.425 125.032 122.820 -0.355 0.000 2.343 336 A HA 0.490 4.810 4.320 -0.000 0.000 0.316 336 A C 0.193 177.670 177.584 -0.178 0.000 1.104 336 A CA -1.001 50.702 52.037 -0.556 0.000 0.768 336 A CB 1.059 19.442 19.000 -1.028 0.000 1.213 336 A HN 0.258 nan 8.150 nan 0.000 0.456 337 R N 2.141 122.657 120.500 0.026 0.000 2.390 337 R HA 0.273 4.613 4.340 -0.000 0.000 0.291 337 R C 0.506 176.825 176.300 0.032 0.000 1.070 337 R CA 0.208 56.333 56.100 0.041 0.000 1.014 337 R CB 0.347 30.694 30.300 0.078 0.000 1.007 337 R HN 0.760 nan 8.270 nan 0.000 0.466 338 G N 1.294 110.092 108.800 -0.003 0.000 3.262 338 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.222 338 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.222 338 G C 0.654 175.540 174.900 -0.024 0.000 1.269 338 G CA -0.114 44.978 45.100 -0.013 0.000 1.032 338 G HN 0.784 nan 8.290 nan 0.000 0.502 339 E N -0.400 119.781 120.200 -0.032 0.000 2.535 339 E HA 0.007 4.357 4.350 -0.000 0.000 0.216 339 E C 1.287 177.750 176.600 -0.229 0.000 0.845 339 E CA -0.044 56.291 56.400 -0.109 0.000 1.306 339 E CB 0.315 29.971 29.700 -0.074 0.000 1.291 339 E HN 0.247 nan 8.360 nan 0.000 0.635 340 E N 0.797 120.959 120.200 -0.064 0.000 2.482 340 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 340 E C 0.454 177.093 176.600 0.064 0.000 1.047 340 E CA 0.102 56.489 56.400 -0.022 0.000 0.869 340 E CB 0.450 30.238 29.700 0.146 0.000 0.836 340 E HN 0.022 nan 8.360 nan 0.000 0.520 341 V N 1.417 121.363 119.914 0.053 0.000 2.493 341 V HA 0.165 4.285 4.120 -0.000 0.000 0.292 341 V C 0.799 176.892 176.094 -0.001 0.000 1.016 341 V CA 0.326 62.669 62.300 0.072 0.000 1.097 341 V CB 0.739 32.580 31.823 0.030 0.000 0.947 341 V HN 0.082 nan 8.190 nan 0.000 0.479 342 G N 5.789 114.589 108.800 -0.000 0.000 2.502 342 G HA2 0.625 4.585 3.960 -0.000 0.000 0.311 342 G HA3 0.625 4.585 3.960 -0.000 0.000 0.311 342 G C -0.829 173.773 174.900 -0.497 0.000 1.270 342 G CA -0.679 44.273 45.100 -0.247 0.000 0.948 342 G HN 0.624 nan 8.290 nan 0.000 0.487 343 L N 2.472 123.415 121.223 -0.468 0.000 2.264 343 L HA 0.424 4.763 4.340 -0.000 0.000 0.289 343 L C -0.925 175.750 176.870 -0.325 0.000 1.044 343 L CA -0.748 53.961 54.840 -0.218 0.000 0.807 343 L CB 0.846 42.883 42.059 -0.037 0.000 1.192 343 L HN 0.521 nan 8.230 nan 0.000 0.425 344 Y N 3.986 124.377 120.300 0.151 0.000 2.402 344 Y HA 0.412 4.962 4.550 -0.000 0.000 0.325 344 Y C 0.132 176.254 175.900 0.369 0.000 1.009 344 Y CA -0.843 57.366 58.100 0.183 0.000 1.278 344 Y CB 1.325 39.725 38.460 -0.100 0.000 1.105 344 Y HN 0.412 nan 8.280 nan 0.000 0.476 345 L N 2.325 123.875 121.223 0.545 0.000 2.479 345 L HA 0.650 4.990 4.340 -0.000 0.000 0.248 345 L C 0.771 177.877 176.870 0.393 0.000 1.205 345 L CA -0.849 54.258 54.840 0.444 0.000 0.817 345 L CB 0.571 42.809 42.059 0.298 0.000 1.162 345 L HN 0.608 nan 8.230 nan 0.000 0.486 346 A N -0.804 122.148 122.820 0.220 0.000 2.246 346 A HA 0.237 4.556 4.320 -0.000 0.000 0.291 346 A C 0.782 178.272 177.584 -0.158 0.000 1.103 346 A CA -0.063 51.949 52.037 -0.042 0.000 0.844 346 A CB 0.082 19.053 19.000 -0.048 0.000 1.136 346 A HN 0.945 nan 8.150 nan 0.000 0.500 347 H N -1.284 117.648 119.070 -0.230 0.000 2.521 347 H HA 0.035 4.590 4.556 -0.000 0.000 0.286 347 H C -0.060 175.169 175.328 -0.165 0.000 1.034 347 H CA 1.431 57.369 56.048 -0.182 0.000 1.278 347 H CB -0.216 29.395 29.762 -0.252 0.000 1.386 347 H HN 0.587 nan 8.280 nan 0.000 0.567 348 D N 0.243 120.283 120.400 -0.599 0.000 2.755 348 D HA 0.334 4.973 4.640 -0.000 0.000 0.257 348 D C 0.004 176.175 176.300 -0.214 0.000 1.291 348 D CA -0.334 53.421 54.000 -0.409 0.000 0.836 348 D CB -0.041 40.423 40.800 -0.559 0.000 1.059 348 D HN 0.549 nan 8.370 nan 0.000 0.486 349 A N 1.011 123.736 122.820 -0.158 0.000 2.450 349 A HA 0.478 4.798 4.320 -0.000 0.000 0.255 349 A C 1.041 178.576 177.584 -0.082 0.000 1.096 349 A CA -0.346 51.646 52.037 -0.076 0.000 0.778 349 A CB -0.067 18.915 19.000 -0.031 0.000 1.031 349 A HN 0.422 nan 8.150 nan 0.000 0.494 350 T N 0.969 115.499 114.554 -0.040 0.000 2.855 350 T HA 0.096 4.446 4.350 -0.000 0.000 0.322 350 T C 1.109 175.783 174.700 -0.044 0.000 1.088 350 T CA 0.043 62.125 62.100 -0.029 0.000 1.104 350 T CB 0.215 69.079 68.868 -0.007 0.000 0.996 350 T HN 0.616 nan 8.240 nan 0.000 0.549 351 L N 1.155 122.364 121.223 -0.023 0.000 2.189 351 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 351 L C 2.401 179.250 176.870 -0.034 0.000 1.097 351 L CA 1.864 56.687 54.840 -0.029 0.000 0.764 351 L CB -0.853 41.224 42.059 0.030 0.000 0.900 351 L HN 0.816 nan 8.230 nan 0.000 0.436 352 E N -0.645 119.545 120.200 -0.017 0.000 2.051 352 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 352 E C 2.080 178.614 176.600 -0.110 0.000 0.979 352 E CA 1.084 57.467 56.400 -0.028 0.000 0.803 352 E CB -0.190 29.538 29.700 0.047 0.000 0.761 352 E HN 0.492 nan 8.360 nan 0.000 0.451 353 E N -0.035 120.127 120.200 -0.064 0.000 2.209 353 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 353 E C 1.921 178.466 176.600 -0.091 0.000 0.993 353 E CA 0.991 57.355 56.400 -0.061 0.000 0.819 353 E CB -0.149 29.556 29.700 0.008 0.000 0.745 353 E HN 0.360 nan 8.360 nan 0.000 0.477 354 G N 0.638 109.377 108.800 -0.102 0.000 2.492 354 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 354 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 354 G C 1.445 176.263 174.900 -0.136 0.000 1.147 354 G CA -0.105 44.937 45.100 -0.097 0.000 0.809 354 G HN 0.110 nan 8.290 nan 0.000 0.533 355 L N 0.521 121.631 121.223 -0.189 0.000 2.083 355 L HA 0.103 4.443 4.340 -0.000 0.000 0.209 355 L C 2.464 179.093 176.870 -0.402 0.000 1.083 355 L CA 1.389 56.095 54.840 -0.223 0.000 0.752 355 L CB -0.579 41.383 42.059 -0.162 0.000 0.899 355 L HN 0.191 nan 8.230 nan 0.000 0.433 356 L N -0.124 120.722 121.223 -0.628 0.000 2.056 356 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 356 L C 2.453 179.155 176.870 -0.280 0.000 1.078 356 L CA 2.006 56.448 54.840 -0.663 0.000 0.749 356 L CB -1.068 40.608 42.059 -0.637 0.000 0.901 356 L HN 0.245 nan 8.230 nan 0.000 0.433 357 A N -1.642 121.068 122.820 -0.182 0.000 2.070 357 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 357 A C 2.471 180.028 177.584 -0.046 0.000 1.159 357 A CA 1.675 53.662 52.037 -0.083 0.000 0.656 357 A CB -0.862 18.132 19.000 -0.010 0.000 0.800 357 A HN 0.576 nan 8.150 nan 0.000 0.453 358 S N -0.477 115.188 115.700 -0.057 0.000 2.329 358 S HA -0.142 4.328 4.470 -0.000 0.000 0.215 358 S C 1.939 176.534 174.600 -0.008 0.000 1.031 358 S CA 1.343 59.535 58.200 -0.014 0.000 0.985 358 S CB -0.373 62.820 63.200 -0.013 0.000 0.917 358 S HN 0.527 nan 8.310 nan 0.000 0.441 359 E N 1.223 121.411 120.200 -0.021 0.000 2.097 359 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 359 E C 2.098 178.709 176.600 0.018 0.000 1.000 359 E CA 1.049 57.465 56.400 0.026 0.000 0.804 359 E CB -0.885 28.868 29.700 0.089 0.000 0.740 359 E HN 0.503 nan 8.360 nan 0.000 0.454 360 L N 0.960 122.174 121.223 -0.015 0.000 1.989 360 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 360 L C 2.180 179.046 176.870 -0.006 0.000 1.071 360 L CA 2.411 57.242 54.840 -0.014 0.000 0.749 360 L CB -0.709 41.321 42.059 -0.048 0.000 0.890 360 L HN 0.078 nan 8.230 nan 0.000 0.431 361 A N -1.403 121.413 122.820 -0.007 0.000 2.168 361 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 361 A C 2.302 179.896 177.584 0.017 0.000 1.152 361 A CA 1.465 53.504 52.037 0.004 0.000 0.716 361 A CB -0.517 18.490 19.000 0.013 0.000 0.794 361 A HN 0.549 nan 8.150 nan 0.000 0.465 362 K N -0.219 120.194 120.400 0.021 0.000 2.017 362 K HA 0.118 4.438 4.320 -0.000 0.000 0.207 362 K C 2.265 178.880 176.600 0.024 0.000 1.035 362 K CA 0.904 57.209 56.287 0.029 0.000 0.947 362 K CB -0.366 32.156 32.500 0.036 0.000 0.749 362 K HN 0.241 nan 8.250 nan 0.000 0.443 363 A N 1.697 124.532 122.820 0.025 0.000 1.903 363 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 363 A C 1.459 179.050 177.584 0.013 0.000 1.191 363 A CA 1.235 53.284 52.037 0.021 0.000 0.638 363 A CB -0.744 18.271 19.000 0.025 0.000 0.823 363 A HN 0.468 nan 8.150 nan 0.000 0.451 364 L N 1.243 122.471 121.223 0.008 0.000 2.395 364 L HA 0.114 4.454 4.340 -0.000 0.000 0.268 364 L C -0.469 176.401 176.870 -0.000 0.000 1.223 364 L CA -0.436 54.404 54.840 0.000 0.000 1.093 364 L CB -0.192 41.864 42.059 -0.005 0.000 1.349 364 L HN 0.236 nan 8.230 nan 0.000 0.427 365 K N 3.245 123.646 120.400 0.002 0.000 2.320 365 K HA -0.013 4.307 4.320 -0.000 0.000 0.269 365 K C 0.020 176.616 176.600 -0.007 0.000 1.182 365 K CA 0.384 56.674 56.287 0.005 0.000 1.190 365 K CB -0.115 32.389 32.500 0.006 0.000 0.850 365 K HN 0.472 nan 8.250 nan 0.000 0.467 366 T N 2.322 116.877 114.554 0.000 0.000 2.853 366 T HA 0.462 4.812 4.350 -0.000 0.000 0.311 366 T C -2.644 172.081 174.700 0.042 0.000 1.307 366 T CA -1.312 60.779 62.100 -0.016 0.000 1.019 366 T CB 1.763 70.603 68.868 -0.046 0.000 1.264 366 T HN 0.373 nan 8.240 nan 0.000 0.497 367 P HA 0.383 nan 4.420 nan 0.000 0.345 367 P C -0.548 176.955 177.300 0.338 0.000 1.678 367 P CA -0.193 63.020 63.100 0.188 0.000 1.504 367 P CB -0.198 31.615 31.700 0.189 0.000 1.746 368 H N 0.536 119.620 119.070 0.023 0.000 2.502 368 H HA 0.314 4.870 4.556 -0.000 0.000 0.268 368 H C -0.484 174.773 175.328 -0.119 0.000 1.177 368 H CA -0.593 55.457 56.048 0.003 0.000 0.961 368 H CB 0.779 30.522 29.762 -0.032 0.000 1.737 368 H HN 0.040 nan 8.280 nan 0.000 0.569 369 L N 1.534 122.821 121.223 0.107 0.000 2.318 369 L HA 0.384 4.724 4.340 -0.000 0.000 0.277 369 L C -1.141 175.864 176.870 0.225 0.000 1.008 369 L CA -0.292 54.599 54.840 0.085 0.000 0.846 369 L CB 1.216 43.331 42.059 0.094 0.000 1.220 369 L HN 0.105 nan 8.230 nan 0.000 0.423 370 D N 2.963 123.584 120.400 0.369 0.000 2.552 370 D HA 0.573 5.213 4.640 -0.000 0.000 0.239 370 D C -1.420 175.170 176.300 0.483 0.000 1.139 370 D CA -0.199 54.057 54.000 0.427 0.000 0.914 370 D CB 1.701 42.806 40.800 0.509 0.000 1.461 370 D HN 0.261 nan 8.370 nan 0.000 0.462 371 F N 0.249 120.348 119.950 0.247 0.000 2.495 371 F HA 0.391 4.918 4.527 -0.000 0.000 0.327 371 F C 1.405 177.033 175.800 -0.287 0.000 1.103 371 F CA -0.857 57.183 58.000 0.067 0.000 0.949 371 F CB 1.343 40.349 39.000 0.011 0.000 1.142 371 F HN 0.393 nan 8.300 nan 0.000 0.457 372 Q N 2.460 121.989 119.800 -0.452 0.000 2.268 372 Q HA -0.187 4.153 4.340 -0.000 0.000 0.213 372 Q C 1.607 176.605 176.000 -1.670 0.000 0.995 372 Q CA 2.542 57.512 55.803 -1.388 0.000 0.901 372 Q CB -0.458 27.187 28.738 -1.822 0.000 0.921 372 Q HN 1.165 nan 8.270 nan 0.000 0.421 373 G N 0.243 108.567 108.800 -0.793 0.000 2.595 373 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.213 373 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.213 373 G C 0.376 174.981 174.900 -0.492 0.000 1.141 373 G CA -0.346 44.397 45.100 -0.597 0.000 0.806 373 G HN 0.243 nan 8.290 nan 0.000 0.530 374 R N 1.733 121.766 120.500 -0.778 0.000 2.478 374 R HA -0.057 4.283 4.340 -0.000 0.000 0.277 374 R C 0.077 176.365 176.300 -0.019 0.000 0.913 374 R CA 1.214 56.914 56.100 -0.666 0.000 1.125 374 R CB -0.074 29.674 30.300 -0.920 0.000 0.863 374 R HN 0.315 nan 8.270 nan 0.000 0.426 375 T N 0.870 115.443 114.554 0.032 0.000 2.929 375 T HA 0.472 4.822 4.350 -0.000 0.000 0.284 375 T C 1.390 176.151 174.700 0.101 0.000 1.014 375 T CA -0.394 61.771 62.100 0.108 0.000 1.051 375 T CB 1.920 70.853 68.868 0.108 0.000 1.028 375 T HN 0.584 nan 8.240 nan 0.000 0.485 376 A N 2.105 124.984 122.820 0.098 0.000 1.903 376 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 376 A C 1.562 179.194 177.584 0.080 0.000 1.191 376 A CA 1.495 53.576 52.037 0.074 0.000 0.638 376 A CB -1.204 17.834 19.000 0.063 0.000 0.823 376 A HN 1.512 nan 8.150 nan 0.000 0.451 377 A N -0.198 122.686 122.820 0.107 0.000 2.258 377 A HA 0.610 4.930 4.320 -0.000 0.000 0.316 377 A C -2.770 174.914 177.584 0.166 0.000 1.279 377 A CA -1.916 50.196 52.037 0.125 0.000 0.876 377 A CB 0.318 19.411 19.000 0.155 0.000 1.170 377 A HN 0.133 nan 8.150 nan 0.000 0.520 378 P HA 0.012 nan 4.420 nan 0.000 0.258 378 P C 0.978 178.422 177.300 0.239 0.000 1.172 378 P CA 0.854 64.059 63.100 0.176 0.000 0.762 378 P CB 0.763 32.537 31.700 0.123 0.000 0.764 379 A N 3.505 126.487 122.820 0.270 0.000 2.070 379 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 379 A C 1.866 179.648 177.584 0.331 0.000 1.159 379 A CA 1.550 53.772 52.037 0.309 0.000 0.656 379 A CB -0.918 18.208 19.000 0.211 0.000 0.800 379 A HN 0.477 nan 8.150 nan 0.000 0.453 380 S N 0.031 115.881 115.700 0.250 0.000 2.660 380 S HA 0.073 4.543 4.470 -0.000 0.000 0.223 380 S C 1.393 176.026 174.600 0.055 0.000 0.963 380 S CA -0.006 58.308 58.200 0.189 0.000 0.932 380 S CB -0.104 63.241 63.200 0.242 0.000 0.775 380 S HN 0.405 nan 8.310 nan 0.000 0.531 381 L N 0.715 121.964 121.223 0.043 0.000 2.109 381 L HA 0.236 4.576 4.340 -0.000 0.000 0.207 381 L C -0.064 176.585 176.870 -0.369 0.000 1.086 381 L CA 1.453 56.129 54.840 -0.274 0.000 0.760 381 L CB -0.741 40.976 42.059 -0.570 0.000 0.910 381 L HN 0.213 nan 8.230 nan 0.000 0.437 382 F N 0.972 120.937 119.950 0.026 0.000 2.422 382 F HA 0.408 4.935 4.527 -0.000 0.000 0.333 382 F C -1.742 174.078 175.800 0.034 0.000 1.095 382 F CA -3.357 54.663 58.000 0.032 0.000 1.038 382 F CB -0.304 38.722 39.000 0.042 0.000 1.156 382 F HN -0.055 nan 8.300 nan 0.000 0.483 383 P HA 0.125 nan 4.420 nan 0.000 0.269 383 P C -2.646 174.731 177.300 0.128 0.000 1.252 383 P CA -1.170 62.005 63.100 0.126 0.000 0.780 383 P CB 0.128 31.885 31.700 0.095 0.000 0.829 384 P HA 0.030 nan 4.420 nan 0.000 0.262 384 P C -0.173 177.164 177.300 0.062 0.000 1.182 384 P CA 0.661 63.813 63.100 0.086 0.000 0.761 384 P CB 0.312 32.062 31.700 0.083 0.000 0.795 385 A N 3.182 126.030 122.820 0.046 0.000 2.305 385 A HA 0.460 4.780 4.320 -0.000 0.000 0.322 385 A C 0.451 178.043 177.584 0.014 0.000 1.187 385 A CA -0.440 51.613 52.037 0.028 0.000 0.825 385 A CB 0.513 19.524 19.000 0.019 0.000 1.164 385 A HN 0.438 nan 8.150 nan 0.000 0.498 386 S N 1.167 116.874 115.700 0.011 0.000 2.552 386 S HA 0.048 4.518 4.470 -0.000 0.000 0.289 386 S C 1.112 175.709 174.600 -0.006 0.000 1.304 386 S CA -0.371 57.832 58.200 0.005 0.000 1.063 386 S CB -0.059 63.146 63.200 0.007 0.000 0.848 386 S HN 0.823 nan 8.310 nan 0.000 0.499 387 L N 4.531 125.751 121.223 -0.005 0.000 2.353 387 L HA 0.022 4.362 4.340 -0.000 0.000 0.220 387 L C 2.267 179.129 176.870 -0.013 0.000 1.133 387 L CA 1.981 56.813 54.840 -0.012 0.000 0.798 387 L CB -0.557 41.501 42.059 -0.002 0.000 0.922 387 L HN 0.938 nan 8.230 nan 0.000 0.445 388 E N -1.363 118.835 120.200 -0.003 0.000 2.230 388 E HA -0.166 4.183 4.350 -0.000 0.000 0.192 388 E C 1.247 177.848 176.600 0.002 0.000 0.987 388 E CA 0.667 57.071 56.400 0.007 0.000 0.841 388 E CB 0.081 29.789 29.700 0.014 0.000 0.783 388 E HN 0.453 nan 8.360 nan 0.000 0.481 389 D N 1.036 121.430 120.400 -0.010 0.000 2.178 389 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 389 D C 1.920 178.190 176.300 -0.050 0.000 0.980 389 D CA 0.508 54.499 54.000 -0.015 0.000 0.842 389 D CB -0.167 40.624 40.800 -0.014 0.000 0.948 389 D HN 0.222 nan 8.370 nan 0.000 0.472 390 L N 0.724 121.886 121.223 -0.102 0.000 2.079 390 L HA -0.115 4.224 4.340 -0.000 0.000 0.210 390 L C 2.053 178.787 176.870 -0.227 0.000 1.081 390 L CA 1.339 56.026 54.840 -0.255 0.000 0.752 390 L CB -0.619 41.278 42.059 -0.271 0.000 0.896 390 L HN 0.042 nan 8.230 nan 0.000 0.433 391 L N -1.043 120.170 121.223 -0.016 0.000 2.093 391 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 391 L C 2.303 179.289 176.870 0.194 0.000 1.085 391 L CA 1.188 56.118 54.840 0.150 0.000 0.755 391 L CB -0.514 41.608 42.059 0.104 0.000 0.904 391 L HN 0.408 nan 8.230 nan 0.000 0.435 392 Q N -0.147 119.714 119.800 0.101 0.000 2.403 392 Q HA 0.194 4.534 4.340 -0.000 0.000 0.203 392 Q C 0.861 176.929 176.000 0.113 0.000 0.932 392 Q CA 0.083 55.944 55.803 0.096 0.000 0.945 392 Q CB 0.259 29.029 28.738 0.053 0.000 1.045 392 Q HN 0.439 nan 8.270 nan 0.000 0.511 393 A N 1.304 124.205 122.820 0.134 0.000 2.262 393 A HA 0.065 4.385 4.320 -0.000 0.000 0.273 393 A C 0.418 178.166 177.584 0.274 0.000 1.202 393 A CA -0.035 52.084 52.037 0.137 0.000 0.811 393 A CB 0.366 19.367 19.000 0.002 0.000 1.159 393 A HN 0.058 nan 8.150 nan 0.000 0.505 394 D N -2.433 118.110 120.400 0.237 0.000 2.482 394 D HA 0.254 4.894 4.640 -0.000 0.000 0.251 394 D C -0.820 175.711 176.300 0.384 0.000 1.073 394 D CA 0.831 54.973 54.000 0.237 0.000 0.892 394 D CB 0.676 41.551 40.800 0.125 0.000 1.202 394 D HN 0.309 nan 8.370 nan 0.000 0.496 395 F N 0.668 120.744 119.950 0.209 0.000 2.654 395 F HA 0.553 5.079 4.527 -0.000 0.000 0.308 395 F C -1.800 174.154 175.800 0.257 0.000 1.108 395 F CA -1.117 57.036 58.000 0.255 0.000 0.957 395 F CB 1.751 40.843 39.000 0.152 0.000 1.309 395 F HN -0.207 nan 8.300 nan 0.000 0.446 396 A N 4.931 127.421 122.820 -0.550 0.000 2.310 396 A HA 0.659 4.978 4.320 -0.000 0.000 0.304 396 A C -2.130 175.240 177.584 -0.356 0.000 1.231 396 A CA -0.551 51.296 52.037 -0.316 0.000 0.799 396 A CB 0.847 19.715 19.000 -0.220 0.000 1.162 396 A HN 0.676 nan 8.150 nan 0.000 0.486 397 L N 4.256 125.562 121.223 0.139 0.000 2.255 397 L HA 0.607 4.947 4.340 -0.000 0.000 0.289 397 L C -0.817 176.124 176.870 0.119 0.000 1.046 397 L CA -0.042 54.954 54.840 0.261 0.000 0.816 397 L CB 1.122 43.419 42.059 0.398 0.000 1.197 397 L HN 0.379 nan 8.230 nan 0.000 0.427 398 V N 6.762 126.736 119.914 0.100 0.000 2.444 398 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 398 V C -0.645 175.519 176.094 0.117 0.000 1.022 398 V CA -0.528 61.806 62.300 0.058 0.000 0.850 398 V CB 1.702 33.526 31.823 0.002 0.000 0.992 398 V HN 0.477 nan 8.190 nan 0.000 0.426 399 L N 5.044 126.316 121.223 0.082 0.000 2.388 399 L HA 0.936 5.276 4.340 -0.000 0.000 0.267 399 L C 0.438 177.355 176.870 0.078 0.000 0.995 399 L CA 0.600 55.506 54.840 0.110 0.000 0.864 399 L CB 1.237 43.328 42.059 0.054 0.000 1.216 399 L HN 0.999 nan 8.230 nan 0.000 0.430 400 G N 1.848 110.707 108.800 0.097 0.000 2.353 400 G HA2 0.053 4.013 3.960 -0.000 0.000 0.615 400 G HA3 0.053 4.013 3.960 -0.000 0.000 0.615 400 G C -1.741 173.167 174.900 0.012 0.000 1.280 400 G CA -0.907 44.232 45.100 0.064 0.000 1.000 400 G HN 0.390 nan 8.290 nan 0.000 0.516 401 D N 0.525 120.934 120.400 0.016 0.000 2.460 401 D HA 0.596 5.235 4.640 -0.000 0.000 0.232 401 D C -1.172 175.159 176.300 0.052 0.000 1.079 401 D CA -2.173 51.831 54.000 0.006 0.000 0.864 401 D CB 1.809 42.622 40.800 0.023 0.000 1.048 401 D HN -0.010 nan 8.370 nan 0.000 0.523 402 P HA -0.096 nan 4.420 nan 0.000 0.219 402 P C 1.281 178.662 177.300 0.134 0.000 1.146 402 P CA 0.953 64.097 63.100 0.073 0.000 0.808 402 P CB 0.395 32.134 31.700 0.064 0.000 0.779 403 T N -0.380 114.282 114.554 0.180 0.000 2.708 403 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 403 T C 1.579 176.349 174.700 0.116 0.000 1.037 403 T CA 1.330 63.570 62.100 0.233 0.000 1.146 403 T CB -0.466 68.565 68.868 0.273 0.000 0.865 403 T HN 0.177 nan 8.240 nan 0.000 0.435 404 E N 0.887 121.147 120.200 0.100 0.000 2.086 404 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 404 E C 2.268 178.868 176.600 0.000 0.000 0.975 404 E CA 0.841 57.270 56.400 0.048 0.000 0.813 404 E CB -0.161 29.595 29.700 0.093 0.000 0.768 404 E HN 0.598 nan 8.360 nan 0.000 0.457 405 E N 0.613 120.822 120.200 0.015 0.000 2.033 405 E HA 0.059 4.409 4.350 -0.000 0.000 0.189 405 E C 0.496 177.083 176.600 -0.022 0.000 0.979 405 E CA 0.940 57.330 56.400 -0.018 0.000 0.802 405 E CB 0.230 29.925 29.700 -0.008 0.000 0.763 405 E HN 0.052 nan 8.360 nan 0.000 0.449 406 A N 0.903 123.731 122.820 0.013 0.000 3.159 406 A HA 0.311 4.631 4.320 -0.000 0.000 0.330 406 A C -2.210 175.421 177.584 0.078 0.000 1.032 406 A CA -1.215 50.835 52.037 0.022 0.000 0.841 406 A CB 0.325 19.332 19.000 0.013 0.000 1.093 406 A HN -0.076 nan 8.150 nan 0.000 0.478 407 P HA -0.248 nan 4.420 nan 0.000 0.219 407 P C 1.304 178.818 177.300 0.357 0.000 1.161 407 P CA 1.342 64.573 63.100 0.218 0.000 0.909 407 P CB 0.168 31.914 31.700 0.076 0.000 0.793 408 I N -1.759 118.955 120.570 0.241 0.000 2.700 408 I HA -0.161 4.009 4.170 -0.000 0.000 0.261 408 I C 2.148 178.338 176.117 0.122 0.000 1.219 408 I CA 0.972 62.384 61.300 0.186 0.000 1.463 408 I CB -0.718 37.371 38.000 0.149 0.000 1.092 408 I HN -0.095 nan 8.210 nan 0.000 0.452 409 L N -0.777 120.522 121.223 0.126 0.000 2.131 409 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 409 L C 2.470 179.414 176.870 0.123 0.000 1.092 409 L CA 1.596 56.490 54.840 0.090 0.000 0.759 409 L CB -0.795 41.302 42.059 0.063 0.000 0.903 409 L HN 0.397 nan 8.230 nan 0.000 0.435 410 H N 0.215 119.324 119.070 0.065 0.000 2.387 410 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 410 H C 2.180 177.489 175.328 -0.030 0.000 1.099 410 H CA 1.456 57.541 56.048 0.061 0.000 1.315 410 H CB 0.164 30.006 29.762 0.132 0.000 1.380 410 H HN 0.244 nan 8.280 nan 0.000 0.513 411 L N -0.388 120.858 121.223 0.039 0.000 2.313 411 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 411 L C 2.438 179.294 176.870 -0.025 0.000 1.119 411 L CA 0.179 54.953 54.840 -0.110 0.000 0.809 411 L CB -0.121 41.769 42.059 -0.282 0.000 0.933 411 L HN 0.213 nan 8.230 nan 0.000 0.449 412 R N 0.421 120.938 120.500 0.027 0.000 2.057 412 R HA 0.056 4.396 4.340 -0.000 0.000 0.224 412 R C 2.227 178.570 176.300 0.071 0.000 1.136 412 R CA 0.970 57.093 56.100 0.039 0.000 0.968 412 R CB -0.762 29.552 30.300 0.023 0.000 0.863 412 R HN 0.302 nan 8.270 nan 0.000 0.433 413 L N 0.967 122.241 121.223 0.084 0.000 2.189 413 L HA -0.206 4.134 4.340 -0.000 0.000 0.214 413 L C 2.605 179.539 176.870 0.105 0.000 1.097 413 L CA 1.416 56.361 54.840 0.176 0.000 0.764 413 L CB -0.543 41.611 42.059 0.158 0.000 0.900 413 L HN 0.230 nan 8.230 nan 0.000 0.436 414 S N -0.008 115.686 115.700 -0.010 0.000 2.343 414 S HA -0.225 4.245 4.470 -0.000 0.000 0.219 414 S C 1.853 176.311 174.600 -0.237 0.000 1.033 414 S CA 1.592 59.616 58.200 -0.293 0.000 1.014 414 S CB -0.118 62.955 63.200 -0.212 0.000 0.915 414 S HN 0.457 nan 8.310 nan 0.000 0.435 415 E N -0.203 119.948 120.200 -0.081 0.000 2.058 415 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 415 E C 1.857 178.462 176.600 0.008 0.000 0.997 415 E CA 1.475 57.860 56.400 -0.025 0.000 0.801 415 E CB -0.410 29.317 29.700 0.044 0.000 0.746 415 E HN 0.656 nan 8.360 nan 0.000 0.450 416 F N 1.768 121.665 119.950 -0.088 0.000 2.043 416 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 416 F C 2.229 177.968 175.800 -0.101 0.000 1.118 416 F CA 1.265 59.221 58.000 -0.073 0.000 1.202 416 F CB -0.693 38.273 39.000 -0.058 0.000 0.965 416 F HN -0.213 nan 8.300 nan 0.000 0.482 417 V N 0.815 120.516 119.914 -0.355 0.000 2.688 417 V HA -0.276 3.844 4.120 -0.000 0.000 0.256 417 V C 2.160 178.012 176.094 -0.403 0.000 1.084 417 V CA 2.174 64.181 62.300 -0.488 0.000 1.103 417 V CB -0.696 30.875 31.823 -0.420 0.000 0.688 417 V HN 0.335 nan 8.190 nan 0.000 0.480 418 R N -0.778 119.536 120.500 -0.309 0.000 2.359 418 R HA 0.122 4.462 4.340 -0.000 0.000 0.231 418 R C 0.502 176.706 176.300 -0.160 0.000 0.913 418 R CA 0.235 56.200 56.100 -0.225 0.000 1.075 418 R CB 0.116 30.302 30.300 -0.188 0.000 1.087 418 R HN 0.377 nan 8.270 nan 0.000 0.515 419 D N 0.253 120.542 120.400 -0.185 0.000 3.059 419 D HA -0.166 4.473 4.640 -0.000 0.000 0.220 419 D C -0.795 175.483 176.300 -0.037 0.000 1.169 419 D CA 0.869 54.800 54.000 -0.115 0.000 0.902 419 D CB -0.957 39.784 40.800 -0.099 0.000 1.116 419 D HN 0.227 nan 8.370 nan 0.000 0.417 420 L N -0.011 121.199 121.223 -0.022 0.000 2.462 420 L HA 0.192 4.531 4.340 -0.000 0.000 0.272 420 L C 0.959 177.866 176.870 0.061 0.000 1.166 420 L CA 0.633 55.489 54.840 0.026 0.000 0.880 420 L CB 0.544 42.625 42.059 0.037 0.000 1.142 420 L HN -0.098 nan 8.230 nan 0.000 0.473 421 K N 3.964 124.402 120.400 0.065 0.000 2.340 421 K HA 0.482 4.802 4.320 -0.000 0.000 0.244 421 K C -2.427 174.221 176.600 0.081 0.000 0.973 421 K CA -1.892 54.440 56.287 0.074 0.000 0.828 421 K CB 1.490 34.026 32.500 0.060 0.000 1.226 421 K HN 0.220 nan 8.250 nan 0.000 0.437 422 P HA -0.066 nan 4.420 nan 0.000 0.259 422 P C -2.348 174.998 177.300 0.078 0.000 1.163 422 P CA -0.432 62.715 63.100 0.078 0.000 0.760 422 P CB -0.300 31.433 31.700 0.053 0.000 0.762 423 P HA 0.081 nan 4.420 nan 0.000 0.274 423 P C -0.396 176.936 177.300 0.053 0.000 1.231 423 P CA -0.128 63.032 63.100 0.101 0.000 0.790 423 P CB 0.508 32.282 31.700 0.123 0.000 0.951 424 H N 1.719 120.752 119.070 -0.063 0.000 2.815 424 H HA 0.172 4.728 4.556 -0.000 0.000 0.350 424 H C 0.216 175.341 175.328 -0.338 0.000 1.080 424 H CA 0.280 56.197 56.048 -0.218 0.000 1.433 424 H CB 0.542 30.111 29.762 -0.321 0.000 1.432 424 H HN 0.212 nan 8.280 nan 0.000 0.592 425 R N 4.008 123.962 120.500 -0.911 0.000 2.297 425 R HA 0.204 4.544 4.340 -0.000 0.000 0.308 425 R C -0.854 175.035 176.300 -0.685 0.000 1.029 425 R CA -0.438 55.315 56.100 -0.577 0.000 0.929 425 R CB 0.655 30.745 30.300 -0.350 0.000 1.046 425 R HN 0.589 nan 8.270 nan 0.000 0.461 426 Y N 0.411 120.569 120.300 -0.236 0.000 2.654 426 Y HA 0.200 4.750 4.550 -0.000 0.000 0.328 426 Y C 1.516 177.396 175.900 -0.033 0.000 1.174 426 Y CA -0.940 57.128 58.100 -0.052 0.000 1.293 426 Y CB 0.510 38.874 38.460 -0.160 0.000 1.464 426 Y HN 0.481 nan 8.280 nan 0.000 0.559 427 N N 0.265 119.189 118.700 0.373 0.000 2.289 427 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 427 N C 1.148 176.690 175.510 0.053 0.000 1.016 427 N CA 1.353 54.430 53.050 0.044 0.000 0.872 427 N CB -0.265 38.084 38.487 -0.230 0.000 0.973 427 N HN 0.706 nan 8.380 nan 0.000 0.433 428 H N -2.008 117.096 119.070 0.058 0.000 2.551 428 H HA 0.389 4.945 4.556 -0.000 0.000 0.271 428 H C 1.240 176.581 175.328 0.022 0.000 0.984 428 H CA 0.665 56.705 56.048 -0.013 0.000 1.164 428 H CB 0.216 29.886 29.762 -0.154 0.000 1.437 428 H HN 0.139 nan 8.280 nan 0.000 0.550 429 G N 0.977 109.651 108.800 -0.209 0.000 2.846 429 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.225 429 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.225 429 G C -0.529 174.317 174.900 -0.089 0.000 1.285 429 G CA -0.204 44.843 45.100 -0.089 0.000 1.055 429 G HN 0.414 nan 8.290 nan 0.000 0.579 430 T N 5.450 120.009 114.554 0.009 0.000 2.851 430 T HA 0.546 4.895 4.350 -0.000 0.000 0.298 430 T C -1.994 172.750 174.700 0.073 0.000 0.977 430 T CA -0.089 62.035 62.100 0.039 0.000 1.126 430 T CB 1.514 70.396 68.868 0.024 0.000 0.916 430 T HN 0.524 nan 8.240 nan 0.000 0.529 431 P HA -0.007 nan 4.420 nan 0.000 0.266 431 P C 0.130 177.572 177.300 0.237 0.000 1.186 431 P CA -0.027 63.098 63.100 0.042 0.000 0.767 431 P CB 0.453 32.220 31.700 0.111 0.000 0.820 432 F N 0.779 120.767 119.950 0.063 0.000 2.698 432 F HA 0.286 4.813 4.527 -0.000 0.000 0.295 432 F C 1.458 177.282 175.800 0.040 0.000 1.124 432 F CA -0.383 57.639 58.000 0.037 0.000 1.426 432 F CB -0.716 38.318 39.000 0.057 0.000 1.120 432 F HN 0.281 nan 8.300 nan 0.000 0.583 433 A N 0.271 123.212 122.820 0.201 0.000 2.855 433 A HA 0.388 4.708 4.320 -0.000 0.000 0.313 433 A C -1.222 176.410 177.584 0.079 0.000 1.173 433 A CA -0.497 51.614 52.037 0.124 0.000 0.753 433 A CB -0.018 19.046 19.000 0.106 0.000 1.200 433 A HN -0.076 nan 8.150 nan 0.000 0.442 434 D N 2.862 123.316 120.400 0.091 0.000 2.380 434 D HA 0.282 4.921 4.640 -0.000 0.000 0.230 434 D C 1.059 177.406 176.300 0.080 0.000 1.154 434 D CA -0.494 53.562 54.000 0.093 0.000 0.859 434 D CB 0.789 41.649 40.800 0.100 0.000 1.045 434 D HN 0.287 nan 8.370 nan 0.000 0.495 435 L N 3.145 124.409 121.223 0.068 0.000 2.642 435 L HA -0.100 4.240 4.340 -0.000 0.000 0.236 435 L C 1.972 178.871 176.870 0.049 0.000 1.169 435 L CA 0.979 55.851 54.840 0.053 0.000 0.851 435 L CB -1.108 40.976 42.059 0.041 0.000 0.968 435 L HN 0.626 nan 8.230 nan 0.000 0.453 436 Q N 0.855 120.691 119.800 0.059 0.000 2.020 436 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 436 Q C 0.846 176.873 176.000 0.045 0.000 0.974 436 Q CA 0.667 56.500 55.803 0.051 0.000 0.829 436 Q CB 0.149 28.925 28.738 0.065 0.000 0.894 436 Q HN 0.444 nan 8.270 nan 0.000 0.433 437 I N 3.359 123.965 120.570 0.060 0.000 2.471 437 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 437 I C -0.058 176.087 176.117 0.047 0.000 1.123 437 I CA -0.085 61.249 61.300 0.057 0.000 1.336 437 I CB 0.125 38.177 38.000 0.087 0.000 1.430 437 I HN -0.041 nan 8.210 nan 0.000 0.533 438 K N 5.739 126.156 120.400 0.028 0.000 2.118 438 K HA 0.254 4.574 4.320 -0.000 0.000 0.264 438 K C 0.066 176.681 176.600 0.024 0.000 1.000 438 K CA -0.584 55.718 56.287 0.025 0.000 0.929 438 K CB 1.178 33.685 32.500 0.012 0.000 1.021 438 K HN 0.556 nan 8.250 nan 0.000 0.463 439 E N 0.977 121.196 120.200 0.032 0.000 2.404 439 E HA -0.045 4.304 4.350 -0.000 0.000 0.261 439 E C -0.311 176.300 176.600 0.017 0.000 1.074 439 E CA -0.062 56.359 56.400 0.035 0.000 0.917 439 E CB 0.405 30.133 29.700 0.047 0.000 0.965 439 E HN 0.458 nan 8.360 nan 0.000 0.433 440 R N 1.958 122.466 120.500 0.013 0.000 3.641 440 R HA -0.181 4.158 4.340 -0.000 0.000 0.286 440 R C -0.447 175.841 176.300 -0.021 0.000 1.153 440 R CA 0.822 56.922 56.100 0.001 0.000 0.775 440 R CB -1.539 28.768 30.300 0.013 0.000 1.215 440 R HN 0.628 nan 8.270 nan 0.000 0.474 441 M N 1.748 121.326 119.600 -0.037 0.000 2.261 441 M HA 0.043 4.523 4.480 -0.000 0.000 0.350 441 M C -1.430 174.818 176.300 -0.086 0.000 1.343 441 M CA -0.550 54.714 55.300 -0.060 0.000 1.003 441 M CB -0.017 32.536 32.600 -0.077 0.000 1.848 441 M HN -0.029 nan 8.290 nan 0.000 0.456 442 P HA 0.207 nan 4.420 nan 0.000 0.276 442 P C -1.089 176.134 177.300 -0.130 0.000 1.235 442 P CA 0.041 63.092 63.100 -0.082 0.000 0.772 442 P CB 0.439 32.106 31.700 -0.054 0.000 0.871 443 R N 2.824 123.227 120.500 -0.163 0.000 2.404 443 R HA 0.438 4.778 4.340 -0.000 0.000 0.291 443 R C 0.449 176.649 176.300 -0.168 0.000 1.025 443 R CA -0.780 55.166 56.100 -0.256 0.000 0.991 443 R CB 1.348 31.375 30.300 -0.455 0.000 1.053 443 R HN 0.395 nan 8.270 nan 0.000 0.479 444 R N 0.963 121.351 120.500 -0.187 0.000 2.234 444 R HA 0.064 4.404 4.340 -0.000 0.000 0.324 444 R C 0.678 176.940 176.300 -0.062 0.000 1.054 444 R CA -0.014 56.015 56.100 -0.118 0.000 0.912 444 R CB 0.890 31.103 30.300 -0.145 0.000 1.030 444 R HN 0.753 nan 8.270 nan 0.000 0.455 445 T N -2.378 112.178 114.554 0.004 0.000 3.107 445 T HA -0.042 4.307 4.350 -0.000 0.000 0.249 445 T C 0.701 175.453 174.700 0.087 0.000 1.096 445 T CA 0.119 62.256 62.100 0.061 0.000 1.012 445 T CB 0.009 68.918 68.868 0.067 0.000 0.977 445 T HN 0.612 nan 8.240 nan 0.000 0.527 446 D N 0.295 120.741 120.400 0.076 0.000 2.424 446 D HA 0.133 4.772 4.640 -0.000 0.000 0.220 446 D C 1.055 177.500 176.300 0.241 0.000 1.150 446 D CA -0.301 53.786 54.000 0.144 0.000 0.831 446 D CB 0.173 41.027 40.800 0.090 0.000 0.981 446 D HN 0.265 nan 8.370 nan 0.000 0.500 447 K N -0.254 120.235 120.400 0.148 0.000 2.402 447 K HA 0.267 4.587 4.320 -0.000 0.000 0.204 447 K C 0.022 176.539 176.600 -0.138 0.000 1.056 447 K CA -0.150 56.209 56.287 0.120 0.000 1.069 447 K CB 0.967 33.333 32.500 -0.223 0.000 0.888 447 K HN 0.095 nan 8.250 nan 0.000 0.546 448 M N 0.323 119.827 119.600 -0.159 0.000 2.531 448 M HA 0.485 4.964 4.480 -0.000 0.000 0.286 448 M C -2.106 174.101 176.300 -0.155 0.000 1.232 448 M CA -0.663 54.383 55.300 -0.424 0.000 0.877 448 M CB 2.357 34.912 32.600 -0.075 0.000 1.726 448 M HN -0.050 nan 8.290 nan 0.000 0.463 449 A N 3.694 126.414 122.820 -0.166 0.000 2.414 449 A HA 0.843 5.162 4.320 -0.000 0.000 0.306 449 A C -2.095 175.416 177.584 -0.121 0.000 1.054 449 A CA -0.661 51.402 52.037 0.044 0.000 0.724 449 A CB 1.810 21.053 19.000 0.406 0.000 1.267 449 A HN 0.703 nan 8.150 nan 0.000 0.418 450 L N 2.037 123.043 121.223 -0.362 0.000 2.410 450 L HA 0.732 5.071 4.340 -0.000 0.000 0.270 450 L C -1.931 174.581 176.870 -0.596 0.000 0.983 450 L CA -0.368 54.290 54.840 -0.303 0.000 0.822 450 L CB 1.403 43.361 42.059 -0.168 0.000 1.285 450 L HN 0.710 nan 8.230 nan 0.000 0.409 451 F N 3.535 123.527 119.950 0.070 0.000 2.902 451 F HA 0.660 5.186 4.527 -0.000 0.000 0.368 451 F C 0.124 176.079 175.800 0.258 0.000 1.202 451 F CA -0.479 57.601 58.000 0.132 0.000 1.109 451 F CB 1.789 40.796 39.000 0.012 0.000 1.418 451 F HN 0.493 nan 8.300 nan 0.000 0.527 452 A N 3.341 126.342 122.820 0.302 0.000 2.486 452 A HA 0.749 5.069 4.320 -0.000 0.000 0.300 452 A C -2.290 175.121 177.584 -0.287 0.000 1.048 452 A CA -1.712 50.353 52.037 0.048 0.000 0.696 452 A CB 1.671 20.549 19.000 -0.203 0.000 1.278 452 A HN 0.287 nan 8.150 nan 0.000 0.405 453 P HA -0.071 nan 4.420 nan 0.000 0.245 453 P C -0.536 176.969 177.300 0.342 0.000 1.203 453 P CA 1.655 64.600 63.100 -0.258 0.000 0.754 453 P CB -0.932 30.639 31.700 -0.215 0.000 0.896 454 Y N -4.533 115.831 120.300 0.108 0.000 2.788 454 Y HA 0.603 5.153 4.550 -0.000 0.000 0.335 454 Y C 0.031 176.014 175.900 0.139 0.000 1.287 454 Y CA -2.276 55.951 58.100 0.212 0.000 1.068 454 Y CB 0.190 38.896 38.460 0.409 0.000 1.340 454 Y HN -0.444 nan 8.280 nan 0.000 0.449 455 R N 2.108 122.762 120.500 0.256 0.000 2.630 455 R HA 0.497 4.837 4.340 -0.000 0.000 0.286 455 R C -0.536 175.807 176.300 0.072 0.000 1.391 455 R CA 0.515 56.687 56.100 0.118 0.000 1.027 455 R CB -0.829 29.535 30.300 0.107 0.000 1.099 455 R HN 0.858 nan 8.270 nan 0.000 0.525 456 A N 6.318 129.053 122.820 -0.141 0.000 2.425 456 A HA 0.312 4.632 4.320 -0.000 0.000 0.249 456 A C -1.419 176.113 177.584 -0.088 0.000 1.084 456 A CA -1.326 50.586 52.037 -0.210 0.000 0.781 456 A CB 0.284 19.110 19.000 -0.289 0.000 1.019 456 A HN 0.655 nan 8.150 nan 0.000 0.490 457 P HA -0.205 nan 4.420 nan 0.000 0.217 457 P C 0.906 178.073 177.300 -0.221 0.000 1.162 457 P CA 1.477 64.555 63.100 -0.038 0.000 0.901 457 P CB -0.031 31.724 31.700 0.091 0.000 0.793 458 L N -2.298 118.770 121.223 -0.259 0.000 2.599 458 L HA 0.089 4.429 4.340 -0.000 0.000 0.230 458 L C 2.159 178.810 176.870 -0.364 0.000 1.141 458 L CA 0.770 55.333 54.840 -0.462 0.000 0.877 458 L CB -1.047 40.803 42.059 -0.347 0.000 1.009 458 L HN -0.045 nan 8.230 nan 0.000 0.447 459 M N -0.928 118.505 119.600 -0.278 0.000 2.706 459 M HA -0.186 4.294 4.480 -0.000 0.000 0.253 459 M C 1.781 177.874 176.300 -0.346 0.000 1.063 459 M CA 1.030 56.174 55.300 -0.260 0.000 1.067 459 M CB -0.215 32.253 32.600 -0.221 0.000 1.423 459 M HN 0.092 nan 8.290 nan 0.000 0.530 460 K N -0.151 120.014 120.400 -0.392 0.000 2.116 460 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 460 K C 1.149 177.670 176.600 -0.132 0.000 1.052 460 K CA 1.055 57.136 56.287 -0.343 0.000 0.952 460 K CB 0.060 32.280 32.500 -0.467 0.000 0.729 460 K HN 0.371 nan 8.250 nan 0.000 0.446 461 W N 0.304 121.533 121.300 -0.117 0.000 3.353 461 W HA 0.434 5.094 4.660 -0.000 0.000 0.304 461 W C -0.323 176.147 176.519 -0.081 0.000 1.273 461 W CA -0.651 56.635 57.345 -0.099 0.000 1.773 461 W CB -0.766 28.628 29.460 -0.109 0.000 1.095 461 W HN -0.117 nan 8.180 nan 0.000 0.676 462 A N 0.142 123.002 122.820 0.067 0.000 2.360 462 A HA 0.673 4.993 4.320 -0.000 0.000 0.309 462 A C 1.153 178.779 177.584 0.069 0.000 1.311 462 A CA 0.157 52.227 52.037 0.055 0.000 0.805 462 A CB 0.760 19.764 19.000 0.006 0.000 1.144 462 A HN 0.031 nan 8.150 nan 0.000 0.486 463 A N 3.124 126.012 122.820 0.114 0.000 1.892 463 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 463 A C 1.088 178.813 177.584 0.235 0.000 1.188 463 A CA 1.123 53.254 52.037 0.157 0.000 0.631 463 A CB -0.408 18.667 19.000 0.125 0.000 0.822 463 A HN 0.756 nan 8.150 nan 0.000 0.447 464 I N 2.580 123.251 120.570 0.168 0.000 2.352 464 I HA 0.105 4.275 4.170 -0.000 0.000 0.303 464 I C -0.018 176.072 176.117 -0.045 0.000 1.194 464 I CA 0.437 61.798 61.300 0.101 0.000 1.518 464 I CB -1.701 36.406 38.000 0.178 0.000 1.489 464 I HN 0.510 nan 8.210 nan 0.000 0.702 465 H N 3.055 122.023 119.070 -0.170 0.000 2.689 465 H HA 0.768 5.324 4.556 -0.000 0.000 0.346 465 H C -1.426 173.791 175.328 -0.185 0.000 1.037 465 H CA -0.834 55.042 56.048 -0.287 0.000 1.234 465 H CB 2.729 32.391 29.762 -0.166 0.000 1.572 465 H HN 0.332 nan 8.280 nan 0.000 0.524 466 E N 2.755 122.772 120.200 -0.306 0.000 2.331 466 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 466 E C -1.531 175.184 176.600 0.192 0.000 0.895 466 E CA -0.830 55.553 56.400 -0.027 0.000 0.753 466 E CB 2.514 32.293 29.700 0.132 0.000 1.216 466 E HN 0.466 nan 8.360 nan 0.000 0.434 467 V N 5.411 125.414 119.914 0.147 0.000 2.406 467 V HA 0.376 4.496 4.120 -0.000 0.000 0.272 467 V C 0.051 176.250 176.094 0.176 0.000 1.043 467 V CA -0.269 62.115 62.300 0.141 0.000 0.915 467 V CB 0.163 32.045 31.823 0.099 0.000 0.988 467 V HN 0.766 nan 8.190 nan 0.000 0.466 468 H N 3.491 122.642 119.070 0.135 0.000 2.858 468 H HA 0.811 5.367 4.556 -0.000 0.000 0.318 468 H C -0.194 175.206 175.328 0.119 0.000 1.419 468 H CA -1.249 54.861 56.048 0.103 0.000 1.373 468 H CB 1.058 30.867 29.762 0.078 0.000 1.915 468 H HN 0.418 nan 8.280 nan 0.000 0.704 469 R N -0.005 120.602 120.500 0.179 0.000 2.573 469 R HA 0.326 4.666 4.340 -0.000 0.000 0.272 469 R C -2.550 173.810 176.300 0.099 0.000 1.009 469 R CA -1.963 54.230 56.100 0.156 0.000 1.059 469 R CB 0.716 31.153 30.300 0.228 0.000 1.112 469 R HN 0.485 nan 8.270 nan 0.000 0.517 470 P HA 0.008 nan 4.420 nan 0.000 0.268 470 P C 0.400 177.626 177.300 -0.124 0.000 1.205 470 P CA 0.592 63.511 63.100 -0.302 0.000 0.771 470 P CB 0.660 32.036 31.700 -0.540 0.000 0.858 471 G N 2.327 111.081 108.800 -0.077 0.000 2.196 471 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.268 471 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.268 471 G C 0.832 175.739 174.900 0.011 0.000 0.975 471 G CA 0.492 45.587 45.100 -0.008 0.000 0.648 471 G HN 0.607 nan 8.290 nan 0.000 0.538 472 E N 0.858 121.091 120.200 0.055 0.000 2.416 472 E HA 0.115 4.465 4.350 -0.000 0.000 0.189 472 E C 2.145 178.708 176.600 -0.063 0.000 1.091 472 E CA 0.676 57.099 56.400 0.039 0.000 0.889 472 E CB -0.073 29.694 29.700 0.112 0.000 1.015 472 E HN 0.804 nan 8.360 nan 0.000 0.479 473 E N 0.439 120.580 120.200 -0.098 0.000 2.340 473 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 473 E C 1.851 178.360 176.600 -0.152 0.000 0.996 473 E CA 0.008 56.272 56.400 -0.226 0.000 0.869 473 E CB -0.213 29.375 29.700 -0.188 0.000 0.835 473 E HN 0.236 nan 8.360 nan 0.000 0.493 474 R N 1.763 122.213 120.500 -0.083 0.000 2.139 474 R HA -0.162 4.177 4.340 -0.000 0.000 0.243 474 R C 1.375 177.626 176.300 -0.081 0.000 1.145 474 R CA 1.804 57.867 56.100 -0.062 0.000 0.976 474 R CB -0.354 29.927 30.300 -0.031 0.000 0.866 474 R HN 0.241 nan 8.270 nan 0.000 0.449 475 E N 0.926 121.068 120.200 -0.096 0.000 2.140 475 E HA 0.030 4.379 4.350 -0.000 0.000 0.191 475 E C 2.193 178.706 176.600 -0.146 0.000 0.973 475 E CA 0.821 57.162 56.400 -0.099 0.000 0.829 475 E CB -0.052 29.601 29.700 -0.077 0.000 0.781 475 E HN 0.363 nan 8.360 nan 0.000 0.466 476 I N 1.027 121.469 120.570 -0.212 0.000 2.264 476 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 476 I C 2.127 178.076 176.117 -0.280 0.000 1.111 476 I CA 0.913 62.028 61.300 -0.308 0.000 1.382 476 I CB -0.270 37.434 38.000 -0.494 0.000 1.060 476 I HN 0.075 nan 8.210 nan 0.000 0.418 477 L N 0.301 121.389 121.223 -0.224 0.000 2.056 477 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 477 L C 2.461 179.243 176.870 -0.146 0.000 1.078 477 L CA 1.473 56.202 54.840 -0.185 0.000 0.749 477 L CB -0.615 41.365 42.059 -0.131 0.000 0.901 477 L HN 0.217 nan 8.230 nan 0.000 0.433 478 L N -0.683 120.471 121.223 -0.115 0.000 2.013 478 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 478 L C 2.642 179.456 176.870 -0.094 0.000 1.073 478 L CA 1.677 56.464 54.840 -0.087 0.000 0.753 478 L CB -0.371 41.646 42.059 -0.069 0.000 0.890 478 L HN 0.291 nan 8.230 nan 0.000 0.432 479 A N 0.081 122.831 122.820 -0.116 0.000 1.873 479 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 479 A C 2.146 179.661 177.584 -0.114 0.000 1.193 479 A CA 2.189 54.159 52.037 -0.112 0.000 0.629 479 A CB -1.052 17.865 19.000 -0.138 0.000 0.826 479 A HN 0.542 nan 8.150 nan 0.000 0.447 480 L N -0.908 120.219 121.223 -0.160 0.000 2.131 480 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 480 L C 2.556 179.347 176.870 -0.131 0.000 1.092 480 L CA 0.886 55.622 54.840 -0.174 0.000 0.759 480 L CB -0.584 41.310 42.059 -0.275 0.000 0.903 480 L HN 0.372 nan 8.230 nan 0.000 0.435 481 L N -0.359 120.798 121.223 -0.109 0.000 2.027 481 L HA -0.066 4.273 4.340 -0.000 0.000 0.206 481 L C 1.333 178.187 176.870 -0.027 0.000 1.074 481 L CA 1.333 56.138 54.840 -0.059 0.000 0.745 481 L CB -0.415 41.614 42.059 -0.050 0.000 0.898 481 L HN 0.505 nan 8.230 nan 0.000 0.433 482 G N -1.013 107.766 108.800 -0.035 0.000 2.244 482 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.163 482 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.163 482 G C -0.189 174.699 174.900 -0.020 0.000 1.064 482 G CA -0.158 44.929 45.100 -0.021 0.000 0.757 482 G HN 0.260 nan 8.290 nan 0.000 0.484 483 D N -0.218 120.164 120.400 -0.029 0.000 2.503 483 D HA 0.223 4.863 4.640 -0.000 0.000 0.218 483 D C 0.810 177.093 176.300 -0.028 0.000 1.183 483 D CA 0.382 54.367 54.000 -0.025 0.000 0.827 483 D CB 1.046 41.831 40.800 -0.024 0.000 1.034 483 D HN 0.245 nan 8.370 nan 0.000 0.510 484 K N 0.392 120.771 120.400 -0.034 0.000 2.617 484 K HA 0.256 4.575 4.320 -0.000 0.000 0.293 484 K C -1.057 175.521 176.600 -0.037 0.000 1.034 484 K CA -0.517 55.749 56.287 -0.034 0.000 0.884 484 K CB 2.541 35.016 32.500 -0.041 0.000 1.541 484 K HN -0.113 nan 8.250 nan 0.000 0.409 485 E N 0.196 120.377 120.200 -0.033 0.000 2.231 485 E HA 0.594 4.944 4.350 -0.000 0.000 0.277 485 E C -0.546 176.029 176.600 -0.041 0.000 0.999 485 E CA -0.555 55.827 56.400 -0.031 0.000 0.827 485 E CB 1.320 31.008 29.700 -0.020 0.000 1.101 485 E HN 0.661 nan 8.360 nan 0.000 0.393 486 G N 1.254 110.028 108.800 -0.043 0.000 2.685 486 G HA2 0.338 4.298 3.960 -0.000 0.000 0.298 486 G HA3 0.338 4.298 3.960 -0.000 0.000 0.298 486 G C -0.526 174.357 174.900 -0.028 0.000 1.277 486 G CA -0.478 44.589 45.100 -0.054 0.000 0.986 486 G HN 0.626 nan 8.290 nan 0.000 0.487 487 S N -0.547 115.141 115.700 -0.020 0.000 2.549 487 S HA -0.017 4.453 4.470 -0.000 0.000 0.278 487 S C 1.122 175.735 174.600 0.022 0.000 1.344 487 S CA 0.756 58.961 58.200 0.009 0.000 1.025 487 S CB 0.734 63.953 63.200 0.031 0.000 0.851 487 S HN 0.722 nan 8.310 nan 0.000 0.530 488 E N 0.887 121.101 120.200 0.023 0.000 2.086 488 E HA -0.235 4.115 4.350 -0.000 0.000 0.205 488 E C 2.079 178.709 176.600 0.051 0.000 1.027 488 E CA 1.870 58.286 56.400 0.028 0.000 0.830 488 E CB -0.305 29.407 29.700 0.020 0.000 0.751 488 E HN 0.636 nan 8.360 nan 0.000 0.456 489 M N 0.398 120.041 119.600 0.072 0.000 2.065 489 M HA -0.159 4.321 4.480 -0.000 0.000 0.259 489 M C 2.578 179.006 176.300 0.214 0.000 1.069 489 M CA 1.192 56.571 55.300 0.131 0.000 1.110 489 M CB -1.010 31.673 32.600 0.139 0.000 1.328 489 M HN 0.053 nan 8.290 nan 0.000 0.405 490 V N 0.616 120.633 119.914 0.172 0.000 2.380 490 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 490 V C 2.705 178.825 176.094 0.043 0.000 1.063 490 V CA 1.930 64.264 62.300 0.057 0.000 1.055 490 V CB -1.380 30.367 31.823 -0.125 0.000 0.657 490 V HN 0.523 nan 8.190 nan 0.000 0.455 491 A N -0.836 122.007 122.820 0.039 0.000 1.929 491 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 491 A C 2.311 179.924 177.584 0.048 0.000 1.176 491 A CA 1.212 53.266 52.037 0.028 0.000 0.628 491 A CB -0.341 18.669 19.000 0.017 0.000 0.816 491 A HN 0.412 nan 8.150 nan 0.000 0.444 492 K N 0.061 120.502 120.400 0.068 0.000 2.063 492 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 492 K C 2.322 178.968 176.600 0.077 0.000 1.048 492 K CA 1.333 57.660 56.287 0.067 0.000 0.928 492 K CB -0.544 32.005 32.500 0.081 0.000 0.713 492 K HN 0.451 nan 8.250 nan 0.000 0.442 493 A N 1.866 124.774 122.820 0.147 0.000 1.835 493 A HA -0.222 4.097 4.320 -0.000 0.000 0.215 493 A C 2.170 179.823 177.584 0.114 0.000 1.199 493 A CA 1.982 54.136 52.037 0.195 0.000 0.615 493 A CB -0.585 18.645 19.000 0.383 0.000 0.838 493 A HN 0.308 nan 8.150 nan 0.000 0.444 494 K N -0.295 120.156 120.400 0.085 0.000 2.173 494 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 494 K C 2.024 178.677 176.600 0.089 0.000 1.046 494 K CA 2.008 58.336 56.287 0.068 0.000 0.929 494 K CB -0.158 32.352 32.500 0.017 0.000 0.720 494 K HN 0.677 nan 8.250 nan 0.000 0.453 495 E N -0.575 119.651 120.200 0.043 0.000 2.072 495 E HA -0.154 4.195 4.350 -0.000 0.000 0.191 495 E C 1.767 178.348 176.600 -0.031 0.000 0.985 495 E CA 0.939 57.347 56.400 0.014 0.000 0.801 495 E CB -0.090 29.612 29.700 0.004 0.000 0.750 495 E HN 0.450 nan 8.360 nan 0.000 0.452 496 A N 1.447 124.201 122.820 -0.111 0.000 1.929 496 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 496 A C 1.971 179.371 177.584 -0.308 0.000 1.176 496 A CA 0.939 52.791 52.037 -0.309 0.000 0.628 496 A CB -1.037 17.583 19.000 -0.633 0.000 0.816 496 A HN 0.690 nan 8.150 nan 0.000 0.444 497 W N 1.414 122.519 121.300 -0.326 0.000 2.363 497 W HA -0.138 4.522 4.660 -0.000 0.000 0.296 497 W C 1.615 178.096 176.519 -0.064 0.000 1.212 497 W CA 1.864 59.127 57.345 -0.136 0.000 1.260 497 W CB -0.094 29.361 29.460 -0.008 0.000 1.131 497 W HN 0.469 nan 8.180 nan 0.000 0.530 498 E N 0.756 121.028 120.200 0.120 0.000 2.012 498 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 498 E C 1.886 178.444 176.600 -0.070 0.000 1.007 498 E CA 1.431 57.853 56.400 0.037 0.000 0.816 498 E CB -0.911 28.825 29.700 0.061 0.000 0.762 498 E HN 0.308 nan 8.360 nan 0.000 0.451 499 K N 0.863 121.221 120.400 -0.070 0.000 2.442 499 K HA 0.002 4.322 4.320 -0.000 0.000 0.199 499 K C 0.776 177.311 176.600 -0.109 0.000 1.044 499 K CA 0.359 56.599 56.287 -0.078 0.000 0.941 499 K CB -0.127 32.332 32.500 -0.068 0.000 0.759 499 K HN 0.035 nan 8.250 nan 0.000 0.472 500 A N 1.640 124.355 122.820 -0.175 0.000 2.524 500 A HA -0.003 4.317 4.320 -0.000 0.000 0.250 500 A C 0.527 178.004 177.584 -0.177 0.000 1.078 500 A CA 0.003 51.924 52.037 -0.194 0.000 0.761 500 A CB 0.351 19.152 19.000 -0.332 0.000 1.012 500 A HN 0.119 nan 8.150 nan 0.000 0.500 501 K N 1.546 121.885 120.400 -0.101 0.000 2.067 501 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 501 K C 0.297 176.843 176.600 -0.090 0.000 1.048 501 K CA 1.147 57.388 56.287 -0.078 0.000 0.954 501 K CB 0.232 32.712 32.500 -0.034 0.000 0.737 501 K HN 0.552 nan 8.250 nan 0.000 0.444 502 N N 0.455 119.109 118.700 -0.078 0.000 2.732 502 N HA 0.177 4.917 4.740 -0.000 0.000 0.235 502 N C -2.946 172.526 175.510 -0.063 0.000 1.466 502 N CA -1.057 51.949 53.050 -0.073 0.000 0.751 502 N CB 1.519 39.991 38.487 -0.024 0.000 1.317 502 N HN 0.008 nan 8.380 nan 0.000 0.525 503 P HA 0.352 nan 4.420 nan 0.000 0.278 503 P C -0.396 176.878 177.300 -0.043 0.000 1.266 503 P CA -0.358 62.689 63.100 -0.088 0.000 0.807 503 P CB 1.914 33.407 31.700 -0.346 0.000 1.094 504 V N 0.506 120.456 119.914 0.060 0.000 3.001 504 V HA 0.400 4.520 4.120 -0.000 0.000 0.314 504 V C -0.188 176.047 176.094 0.236 0.000 1.099 504 V CA -0.842 61.514 62.300 0.093 0.000 0.989 504 V CB 2.001 33.805 31.823 -0.032 0.000 1.040 504 V HN 0.423 nan 8.190 nan 0.000 0.434 505 L N 3.787 125.141 121.223 0.219 0.000 2.319 505 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 505 L C -0.876 176.015 176.870 0.035 0.000 1.005 505 L CA 0.238 55.194 54.840 0.193 0.000 0.828 505 L CB 1.041 43.232 42.059 0.220 0.000 1.227 505 L HN 0.519 nan 8.230 nan 0.000 0.415 506 I N 6.612 127.185 120.570 0.005 0.000 2.354 506 I HA 0.526 4.695 4.170 -0.000 0.000 0.292 506 I C -0.960 175.123 176.117 -0.056 0.000 0.989 506 I CA -0.788 60.486 61.300 -0.042 0.000 1.188 506 I CB 1.505 39.481 38.000 -0.040 0.000 1.342 506 I HN 0.549 nan 8.210 nan 0.000 0.457 507 L N 3.754 124.915 121.223 -0.105 0.000 2.622 507 L HA 0.977 5.317 4.340 -0.000 0.000 0.258 507 L C -0.262 176.544 176.870 -0.108 0.000 0.996 507 L CA -0.339 54.438 54.840 -0.106 0.000 0.858 507 L CB 1.366 43.326 42.059 -0.165 0.000 1.449 507 L HN 0.576 nan 8.230 nan 0.000 0.411 508 G N -0.380 108.387 108.800 -0.054 0.000 3.009 508 G HA2 0.606 4.565 3.960 -0.000 0.000 0.183 508 G HA3 0.606 4.565 3.960 -0.000 0.000 0.183 508 G C 0.506 175.407 174.900 0.001 0.000 1.613 508 G CA 0.477 45.558 45.100 -0.031 0.000 0.910 508 G HN 0.968 nan 8.290 nan 0.000 0.785 509 A N 0.406 123.247 122.820 0.035 0.000 1.994 509 A HA 0.332 4.652 4.320 -0.000 0.000 0.202 509 A C 2.625 180.260 177.584 0.085 0.000 1.286 509 A CA 2.552 54.624 52.037 0.059 0.000 0.653 509 A CB -1.509 17.543 19.000 0.086 0.000 0.926 509 A HN 1.345 nan 8.150 nan 0.000 0.494 510 G N -1.062 107.817 108.800 0.132 0.000 2.507 510 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.221 510 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.221 510 G C 1.412 176.356 174.900 0.074 0.000 1.119 510 G CA 1.471 46.642 45.100 0.118 0.000 0.751 510 G HN 0.355 nan 8.290 nan 0.000 0.574 511 V N 0.200 120.146 119.914 0.054 0.000 2.307 511 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 511 V C 2.604 178.735 176.094 0.062 0.000 1.045 511 V CA 1.278 63.597 62.300 0.032 0.000 1.024 511 V CB -0.288 31.526 31.823 -0.014 0.000 0.651 511 V HN 0.271 nan 8.190 nan 0.000 0.449 512 L N -0.683 120.573 121.223 0.055 0.000 2.554 512 L HA 0.106 4.445 4.340 -0.000 0.000 0.226 512 L C 1.834 178.764 176.870 0.100 0.000 1.137 512 L CA 1.203 56.101 54.840 0.096 0.000 0.863 512 L CB -0.499 41.603 42.059 0.072 0.000 0.985 512 L HN 0.322 nan 8.230 nan 0.000 0.451 513 Q N -0.597 119.254 119.800 0.086 0.000 2.188 513 Q HA 0.140 4.480 4.340 -0.000 0.000 0.212 513 Q C -0.562 175.483 176.000 0.075 0.000 0.846 513 Q CA 0.057 55.911 55.803 0.086 0.000 0.989 513 Q CB 0.333 29.125 28.738 0.091 0.000 1.114 513 Q HN 0.193 nan 8.270 nan 0.000 0.488 514 D N -1.140 119.302 120.400 0.070 0.000 2.336 514 D HA 0.101 4.740 4.640 -0.000 0.000 0.248 514 D C 0.116 176.446 176.300 0.050 0.000 1.326 514 D CA -0.016 54.015 54.000 0.053 0.000 0.973 514 D CB 1.360 42.186 40.800 0.043 0.000 1.255 514 D HN -0.043 nan 8.370 nan 0.000 0.558 515 T N 1.817 116.396 114.554 0.042 0.000 2.602 515 T HA -0.213 4.137 4.350 -0.000 0.000 0.264 515 T C 2.086 176.801 174.700 0.026 0.000 1.085 515 T CA 2.110 64.231 62.100 0.034 0.000 1.164 515 T CB -0.044 68.837 68.868 0.022 0.000 0.860 515 T HN 0.374 nan 8.240 nan 0.000 0.442 516 V N 1.610 121.534 119.914 0.016 0.000 2.222 516 V HA -0.301 3.818 4.120 -0.000 0.000 0.252 516 V C 2.771 178.868 176.094 0.007 0.000 1.060 516 V CA 2.277 64.580 62.300 0.006 0.000 1.027 516 V CB -1.417 30.407 31.823 0.000 0.000 0.644 516 V HN 0.644 nan 8.190 nan 0.000 0.448 517 A N -0.180 122.647 122.820 0.010 0.000 1.835 517 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 517 A C 2.474 180.084 177.584 0.042 0.000 1.199 517 A CA 2.547 54.588 52.037 0.006 0.000 0.615 517 A CB -1.237 17.762 19.000 -0.001 0.000 0.838 517 A HN 0.697 nan 8.150 nan 0.000 0.444 518 A N -0.208 122.664 122.820 0.087 0.000 1.915 518 A HA -0.311 4.008 4.320 -0.000 0.000 0.220 518 A C 1.976 179.648 177.584 0.148 0.000 1.198 518 A CA 2.721 54.873 52.037 0.191 0.000 0.647 518 A CB -0.683 18.451 19.000 0.224 0.000 0.825 518 A HN 0.635 nan 8.150 nan 0.000 0.456 519 E N 0.082 120.313 120.200 0.051 0.000 2.038 519 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 519 E C 2.111 178.709 176.600 -0.003 0.000 1.000 519 E CA 1.868 58.264 56.400 -0.007 0.000 0.803 519 E CB -0.372 29.320 29.700 -0.014 0.000 0.750 519 E HN 0.620 nan 8.360 nan 0.000 0.448 520 R N 0.099 120.601 120.500 0.004 0.000 2.105 520 R HA -0.093 4.247 4.340 -0.000 0.000 0.239 520 R C 2.412 178.715 176.300 0.006 0.000 1.135 520 R CA 1.244 57.339 56.100 -0.009 0.000 0.967 520 R CB -0.548 29.735 30.300 -0.028 0.000 0.861 520 R HN 0.285 nan 8.270 nan 0.000 0.442 521 A N 1.403 124.254 122.820 0.053 0.000 1.851 521 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 521 A C 2.128 179.813 177.584 0.168 0.000 1.195 521 A CA 1.632 53.735 52.037 0.111 0.000 0.622 521 A CB -0.661 18.477 19.000 0.230 0.000 0.831 521 A HN 0.273 nan 8.150 nan 0.000 0.444 522 R N -0.423 120.176 120.500 0.166 0.000 2.119 522 R HA -0.182 4.158 4.340 -0.000 0.000 0.246 522 R C 2.081 178.401 176.300 0.034 0.000 1.146 522 R CA 1.807 57.911 56.100 0.008 0.000 0.962 522 R CB -0.511 29.619 30.300 -0.284 0.000 0.863 522 R HN 0.577 nan 8.270 nan 0.000 0.442 523 L N 0.389 121.622 121.223 0.018 0.000 1.955 523 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 523 L C 2.566 179.475 176.870 0.065 0.000 1.072 523 L CA 1.229 56.084 54.840 0.025 0.000 0.755 523 L CB -0.644 41.419 42.059 0.006 0.000 0.888 523 L HN 0.283 nan 8.230 nan 0.000 0.432 524 L N 0.335 121.584 121.223 0.044 0.000 2.064 524 L HA -0.265 4.075 4.340 -0.000 0.000 0.216 524 L C 2.217 179.231 176.870 0.239 0.000 1.077 524 L CA 2.366 57.237 54.840 0.051 0.000 0.766 524 L CB -0.672 41.294 42.059 -0.155 0.000 0.890 524 L HN 0.244 nan 8.230 nan 0.000 0.435 525 A N -2.200 120.765 122.820 0.241 0.000 2.275 525 A HA 0.037 4.357 4.320 -0.000 0.000 0.212 525 A C 2.128 179.845 177.584 0.221 0.000 1.201 525 A CA 0.604 52.852 52.037 0.351 0.000 0.843 525 A CB -0.388 18.824 19.000 0.354 0.000 0.873 525 A HN 0.596 nan 8.150 nan 0.000 0.492 526 E N -0.153 120.137 120.200 0.150 0.000 2.166 526 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 526 E C 2.074 178.727 176.600 0.088 0.000 0.967 526 E CA 0.087 56.542 56.400 0.091 0.000 0.840 526 E CB 0.063 29.789 29.700 0.043 0.000 0.795 526 E HN 0.555 nan 8.360 nan 0.000 0.470 527 R N 1.067 121.630 120.500 0.106 0.000 2.070 527 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 527 R C 1.179 177.541 176.300 0.103 0.000 1.138 527 R CA 0.963 57.120 56.100 0.096 0.000 0.936 527 R CB -0.247 30.116 30.300 0.105 0.000 0.839 527 R HN -0.105 nan 8.270 nan 0.000 0.429 528 K N 0.800 121.296 120.400 0.159 0.000 2.326 528 K HA 0.043 4.363 4.320 -0.000 0.000 0.275 528 K C -0.115 176.535 176.600 0.083 0.000 1.018 528 K CA 0.043 56.392 56.287 0.103 0.000 0.962 528 K CB 1.137 33.706 32.500 0.115 0.000 0.953 528 K HN 0.214 nan 8.250 nan 0.000 0.475 529 G N 2.481 111.298 108.800 0.028 0.000 3.008 529 G HA2 0.394 4.354 3.960 -0.000 0.000 0.272 529 G HA3 0.394 4.354 3.960 -0.000 0.000 0.272 529 G C -0.615 174.300 174.900 0.026 0.000 0.764 529 G CA -0.233 44.885 45.100 0.029 0.000 2.029 529 G HN 0.619 nan 8.290 nan 0.000 0.587 530 A N 1.903 124.765 122.820 0.071 0.000 2.386 530 A HA 0.778 5.098 4.320 -0.000 0.000 0.311 530 A C 0.187 177.848 177.584 0.128 0.000 1.068 530 A CA -0.857 51.226 52.037 0.077 0.000 0.743 530 A CB 1.884 20.924 19.000 0.067 0.000 1.258 530 A HN 0.422 nan 8.150 nan 0.000 0.429 531 K N 0.072 120.532 120.400 0.099 0.000 2.179 531 K HA 0.727 5.047 4.320 -0.000 0.000 0.238 531 K C -0.770 175.905 176.600 0.125 0.000 1.033 531 K CA -0.572 55.778 56.287 0.105 0.000 0.926 531 K CB 1.212 33.750 32.500 0.064 0.000 1.151 531 K HN 0.428 nan 8.250 nan 0.000 0.492 532 V N 1.057 121.035 119.914 0.108 0.000 3.049 532 V HA 0.373 4.493 4.120 -0.000 0.000 0.309 532 V C -0.965 175.138 176.094 0.014 0.000 1.148 532 V CA -1.006 61.336 62.300 0.070 0.000 0.990 532 V CB 1.959 33.839 31.823 0.095 0.000 1.039 532 V HN 0.521 nan 8.190 nan 0.000 0.430 533 L N 2.806 124.005 121.223 -0.039 0.000 2.316 533 L HA 0.771 5.110 4.340 -0.000 0.000 0.280 533 L C 0.130 176.938 176.870 -0.103 0.000 1.006 533 L CA -0.604 54.206 54.840 -0.050 0.000 0.836 533 L CB 1.702 43.735 42.059 -0.043 0.000 1.221 533 L HN 0.799 nan 8.230 nan 0.000 0.418 534 A N 5.006 127.767 122.820 -0.098 0.000 2.260 534 A HA 0.636 4.956 4.320 -0.000 0.000 0.312 534 A C 0.043 177.589 177.584 -0.063 0.000 1.321 534 A CA -0.436 51.519 52.037 -0.136 0.000 0.928 534 A CB 0.235 19.163 19.000 -0.120 0.000 1.158 534 A HN 0.789 nan 8.150 nan 0.000 0.542 535 M N 3.779 123.340 119.600 -0.064 0.000 3.213 535 M HA 0.137 4.617 4.480 -0.000 0.000 0.275 535 M C 0.839 177.120 176.300 -0.033 0.000 1.424 535 M CA -0.048 55.229 55.300 -0.038 0.000 1.561 535 M CB -0.136 32.446 32.600 -0.029 0.000 1.109 535 M HN 0.773 nan 8.290 nan 0.000 0.552 536 T N -1.412 113.130 114.554 -0.021 0.000 2.899 536 T HA 0.332 4.682 4.350 -0.000 0.000 0.295 536 T C -1.648 173.024 174.700 -0.047 0.000 1.033 536 T CA -1.470 60.626 62.100 -0.007 0.000 1.084 536 T CB 0.800 69.691 68.868 0.039 0.000 0.979 536 T HN 0.359 nan 8.240 nan 0.000 0.532 537 P HA 0.256 nan 4.420 nan 0.000 0.249 537 P C -0.066 177.104 177.300 -0.216 0.000 1.229 537 P CA -0.057 62.955 63.100 -0.146 0.000 0.788 537 P CB -0.005 31.611 31.700 -0.140 0.000 1.072 538 A N -0.083 122.675 122.820 -0.104 0.000 2.303 538 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 538 A C 1.491 179.070 177.584 -0.007 0.000 1.192 538 A CA -0.127 51.878 52.037 -0.053 0.000 0.821 538 A CB 1.200 20.291 19.000 0.152 0.000 1.188 538 A HN 0.034 nan 8.150 nan 0.000 0.492 539 A N 2.389 125.248 122.820 0.064 0.000 1.892 539 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 539 A C 1.545 179.109 177.584 -0.033 0.000 1.188 539 A CA 2.287 54.332 52.037 0.014 0.000 0.631 539 A CB -0.344 18.682 19.000 0.043 0.000 0.822 539 A HN 0.755 nan 8.150 nan 0.000 0.447 540 N N -0.760 117.903 118.700 -0.062 0.000 2.320 540 N HA 0.387 5.127 4.740 -0.000 0.000 0.237 540 N C 1.115 176.503 175.510 -0.203 0.000 1.129 540 N CA 0.667 53.640 53.050 -0.130 0.000 0.854 540 N CB -0.149 38.238 38.487 -0.167 0.000 1.083 540 N HN 0.329 nan 8.380 nan 0.000 0.504 541 A N 0.778 123.539 122.820 -0.099 0.000 1.884 541 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 541 A C 2.165 179.735 177.584 -0.023 0.000 1.197 541 A CA 1.719 53.749 52.037 -0.012 0.000 0.637 541 A CB -0.478 18.643 19.000 0.201 0.000 0.827 541 A HN 0.372 nan 8.150 nan 0.000 0.450 542 R N -0.034 120.479 120.500 0.022 0.000 2.193 542 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 542 R C 1.884 178.186 176.300 0.004 0.000 1.110 542 R CA 1.830 57.969 56.100 0.065 0.000 0.988 542 R CB -0.934 29.409 30.300 0.072 0.000 0.871 542 R HN 0.438 nan 8.270 nan 0.000 0.458 543 G N -0.659 108.086 108.800 -0.091 0.000 2.510 543 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.212 543 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.212 543 G C 1.334 176.105 174.900 -0.215 0.000 1.151 543 G CA 0.087 45.105 45.100 -0.136 0.000 0.817 543 G HN 0.270 nan 8.290 nan 0.000 0.534 544 L N 0.422 121.434 121.223 -0.352 0.000 2.141 544 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 544 L C 2.765 179.494 176.870 -0.236 0.000 1.094 544 L CA 0.975 55.526 54.840 -0.480 0.000 0.763 544 L CB -0.283 41.055 42.059 -1.202 0.000 0.908 544 L HN 0.279 nan 8.230 nan 0.000 0.437 545 E N 0.218 120.370 120.200 -0.080 0.000 2.150 545 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 545 E C 2.144 178.777 176.600 0.055 0.000 0.985 545 E CA 1.020 57.537 56.400 0.195 0.000 0.814 545 E CB -0.103 29.797 29.700 0.334 0.000 0.752 545 E HN 0.484 nan 8.360 nan 0.000 0.466 546 A N 0.508 123.176 122.820 -0.253 0.000 2.206 546 A HA -0.039 4.281 4.320 -0.000 0.000 0.211 546 A C 1.810 179.014 177.584 -0.634 0.000 1.158 546 A CA 0.719 52.178 52.037 -0.964 0.000 0.761 546 A CB 0.040 18.602 19.000 -0.730 0.000 0.801 546 A HN 0.097 nan 8.150 nan 0.000 0.473 547 M N -1.538 117.897 119.600 -0.276 0.000 2.333 547 M HA 0.199 4.679 4.480 -0.000 0.000 0.257 547 M C 1.127 177.399 176.300 -0.047 0.000 1.078 547 M CA 0.798 56.005 55.300 -0.154 0.000 1.005 547 M CB -0.474 32.052 32.600 -0.123 0.000 1.444 547 M HN 0.701 nan 8.290 nan 0.000 0.496 548 G N 1.525 110.335 108.800 0.017 0.000 2.326 548 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.286 548 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.286 548 G C 0.140 175.117 174.900 0.129 0.000 1.096 548 G CA 0.067 45.234 45.100 0.112 0.000 1.003 548 G HN 0.330 nan 8.290 nan 0.000 0.503 549 V N 0.099 120.120 119.914 0.179 0.000 3.110 549 V HA 0.395 4.515 4.120 -0.000 0.000 0.368 549 V C 0.689 177.017 176.094 0.390 0.000 1.332 549 V CA -0.036 62.418 62.300 0.256 0.000 1.287 549 V CB -0.217 31.743 31.823 0.227 0.000 1.277 549 V HN 0.357 nan 8.190 nan 0.000 0.502 550 L N 2.009 123.402 121.223 0.283 0.000 2.334 550 L HA 0.632 4.972 4.340 -0.000 0.000 0.270 550 L C -2.077 174.898 176.870 0.175 0.000 1.018 550 L CA -2.079 52.896 54.840 0.224 0.000 0.811 550 L CB 0.841 43.022 42.059 0.202 0.000 1.271 550 L HN -0.007 nan 8.230 nan 0.000 0.443 551 P HA 0.181 nan 4.420 nan 0.000 0.274 551 P C -0.237 177.135 177.300 0.119 0.000 1.237 551 P CA -0.328 62.858 63.100 0.143 0.000 0.793 551 P CB 0.701 32.479 31.700 0.129 0.000 0.977 552 G N 0.034 108.906 108.800 0.120 0.000 2.563 552 G HA2 0.326 4.286 3.960 -0.000 0.000 0.283 552 G HA3 0.326 4.286 3.960 -0.000 0.000 0.283 552 G C 1.244 176.197 174.900 0.089 0.000 1.309 552 G CA 0.007 45.169 45.100 0.102 0.000 1.022 552 G HN 0.472 nan 8.290 nan 0.000 0.501 553 A N -0.443 122.422 122.820 0.075 0.000 1.986 553 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 553 A C 2.266 179.888 177.584 0.064 0.000 1.171 553 A CA 2.483 54.556 52.037 0.061 0.000 0.640 553 A CB -0.567 18.463 19.000 0.051 0.000 0.811 553 A HN 0.633 nan 8.150 nan 0.000 0.451 554 K N -1.106 119.347 120.400 0.089 0.000 1.977 554 K HA -0.102 4.218 4.320 -0.000 0.000 0.231 554 K C 1.400 178.034 176.600 0.056 0.000 1.040 554 K CA 2.928 59.276 56.287 0.102 0.000 1.029 554 K CB -0.765 31.854 32.500 0.199 0.000 0.737 554 K HN 0.915 nan 8.250 nan 0.000 0.446 555 G N -3.090 105.727 108.800 0.029 0.000 3.246 555 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 555 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 555 G C -0.165 174.696 174.900 -0.065 0.000 0.978 555 G CA 0.167 45.260 45.100 -0.013 0.000 0.825 555 G HN 0.656 nan 8.290 nan 0.000 0.546 556 A N 1.653 124.372 122.820 -0.168 0.000 2.535 556 A HA 0.581 4.901 4.320 -0.000 0.000 0.290 556 A C 1.012 178.590 177.584 -0.009 0.000 1.270 556 A CA 1.233 53.136 52.037 -0.223 0.000 0.937 556 A CB -0.576 17.991 19.000 -0.722 0.000 1.096 556 A HN 1.763 nan 8.150 nan 0.000 0.534 557 S N 2.886 118.568 115.700 -0.031 0.000 2.747 557 S HA 0.490 4.960 4.470 -0.000 0.000 0.300 557 S C 1.049 175.589 174.600 -0.100 0.000 1.121 557 S CA -0.255 57.953 58.200 0.013 0.000 0.995 557 S CB 0.504 63.660 63.200 -0.072 0.000 1.113 557 S HN 1.151 nan 8.310 nan 0.000 0.547 558 W N 1.428 122.686 121.300 -0.071 0.000 2.560 558 W HA -0.043 4.617 4.660 -0.000 0.000 0.252 558 W C -0.138 176.354 176.519 -0.046 0.000 1.242 558 W CA 1.389 58.667 57.345 -0.111 0.000 1.242 558 W CB -0.749 28.739 29.460 0.046 0.000 1.136 558 W HN 0.847 nan 8.180 nan 0.000 0.625 559 D N -0.534 119.507 120.400 -0.598 0.000 2.514 559 D HA 0.047 4.687 4.640 -0.000 0.000 0.225 559 D C -0.332 175.733 176.300 -0.392 0.000 1.159 559 D CA -0.121 53.529 54.000 -0.583 0.000 0.823 559 D CB -0.665 39.534 40.800 -1.002 0.000 1.097 559 D HN 0.164 nan 8.370 nan 0.000 0.519 560 E N 2.877 122.887 120.200 -0.315 0.000 2.055 560 E HA 0.241 4.591 4.350 -0.000 0.000 0.274 560 E C -2.325 174.192 176.600 -0.138 0.000 0.949 560 E CA -2.114 54.159 56.400 -0.212 0.000 0.775 560 E CB 1.636 31.227 29.700 -0.182 0.000 1.097 560 E HN 0.069 nan 8.360 nan 0.000 0.404 561 P HA -0.031 nan 4.420 nan 0.000 0.263 561 P C 0.138 177.425 177.300 -0.022 0.000 1.276 561 P CA 0.351 63.428 63.100 -0.038 0.000 0.986 561 P CB 0.869 32.543 31.700 -0.044 0.000 1.105 562 G N 2.470 111.262 108.800 -0.012 0.000 2.709 562 G HA2 0.307 4.267 3.960 -0.000 0.000 0.197 562 G HA3 0.307 4.267 3.960 -0.000 0.000 0.197 562 G C 0.531 175.504 174.900 0.123 0.000 1.111 562 G CA 0.407 45.488 45.100 -0.031 0.000 0.716 562 G HN 0.650 nan 8.290 nan 0.000 0.754 563 A N -0.171 122.766 122.820 0.196 0.000 2.387 563 A HA 0.587 4.907 4.320 -0.000 0.000 0.251 563 A C 0.894 178.600 177.584 0.203 0.000 1.113 563 A CA 0.430 52.730 52.037 0.438 0.000 0.794 563 A CB 0.568 19.851 19.000 0.471 0.000 1.069 563 A HN 0.500 nan 8.150 nan 0.000 0.506 564 L N -2.433 118.847 121.223 0.095 0.000 2.758 564 L HA 0.358 4.698 4.340 -0.000 0.000 0.234 564 L C -0.876 175.828 176.870 -0.276 0.000 1.049 564 L CA 0.610 55.359 54.840 -0.151 0.000 0.908 564 L CB 0.295 42.161 42.059 -0.322 0.000 1.362 564 L HN 0.629 nan 8.230 nan 0.000 0.499 565 Y N 0.223 120.631 120.300 0.181 0.000 2.326 565 Y HA 0.759 5.309 4.550 -0.000 0.000 0.331 565 Y C 0.006 176.016 175.900 0.184 0.000 0.962 565 Y CA -0.772 57.461 58.100 0.222 0.000 1.167 565 Y CB 1.263 39.838 38.460 0.192 0.000 1.148 565 Y HN 0.016 nan 8.280 nan 0.000 0.463 566 A N 2.626 125.636 122.820 0.317 0.000 2.539 566 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 566 A C -2.305 175.367 177.584 0.148 0.000 1.073 566 A CA -0.848 51.290 52.037 0.167 0.000 0.700 566 A CB 1.266 20.340 19.000 0.124 0.000 1.296 566 A HN 0.652 nan 8.150 nan 0.000 0.405 567 Y N 0.773 121.021 120.300 -0.087 0.000 2.361 567 Y HA 0.706 5.256 4.550 -0.000 0.000 0.332 567 Y C -1.691 174.134 175.900 -0.125 0.000 1.101 567 Y CA -0.612 57.468 58.100 -0.032 0.000 1.137 567 Y CB 1.086 39.545 38.460 -0.001 0.000 1.207 567 Y HN 0.568 nan 8.280 nan 0.000 0.463 568 Y N 3.008 122.856 120.300 -0.754 0.000 2.406 568 Y HA 0.445 4.995 4.550 -0.000 0.000 0.340 568 Y C 0.540 175.964 175.900 -0.793 0.000 0.975 568 Y CA -0.923 56.790 58.100 -0.646 0.000 1.056 568 Y CB 2.589 40.752 38.460 -0.496 0.000 1.210 568 Y HN 0.845 nan 8.280 nan 0.000 0.448 569 G N 3.500 112.174 108.800 -0.210 0.000 3.959 569 G HA2 0.442 4.402 3.960 -0.000 0.000 0.298 569 G HA3 0.442 4.402 3.960 -0.000 0.000 0.298 569 G C -0.777 174.315 174.900 0.319 0.000 1.211 569 G CA -0.010 45.146 45.100 0.094 0.000 1.001 569 G HN 0.496 nan 8.290 nan 0.000 0.561 570 F N -3.187 116.787 119.950 0.039 0.000 3.032 570 F HA 0.485 5.012 4.527 -0.000 0.000 0.331 570 F C -1.612 174.173 175.800 -0.025 0.000 1.125 570 F CA -1.674 56.334 58.000 0.014 0.000 0.873 570 F CB 0.758 39.768 39.000 0.017 0.000 1.374 570 F HN -0.128 nan 8.300 nan 0.000 0.452 571 V N 2.781 122.714 119.914 0.033 0.000 2.406 571 V HA 0.553 4.673 4.120 -0.000 0.000 0.272 571 V C -2.138 173.917 176.094 -0.066 0.000 1.043 571 V CA -1.248 60.921 62.300 -0.218 0.000 0.915 571 V CB 0.782 32.472 31.823 -0.221 0.000 0.988 571 V HN 0.664 nan 8.190 nan 0.000 0.466 572 P HA 0.485 nan 4.420 nan 0.000 0.287 572 P C -2.789 174.458 177.300 -0.088 0.000 1.296 572 P CA -2.225 60.832 63.100 -0.071 0.000 0.811 572 P CB -0.009 31.388 31.700 -0.506 0.000 1.211 573 P HA 0.010 nan 4.420 nan 0.000 0.269 573 P C 0.701 177.829 177.300 -0.287 0.000 1.209 573 P CA 0.233 63.207 63.100 -0.209 0.000 0.776 573 P CB 0.800 32.227 31.700 -0.455 0.000 0.876 574 E N 1.282 121.301 120.200 -0.301 0.000 2.160 574 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 574 E C 1.385 177.826 176.600 -0.266 0.000 0.991 574 E CA 1.128 57.317 56.400 -0.353 0.000 0.810 574 E CB 0.067 29.560 29.700 -0.346 0.000 0.742 574 E HN 0.383 nan 8.360 nan 0.000 0.466 575 E N -0.309 119.751 120.200 -0.233 0.000 2.347 575 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 575 E C 1.053 177.570 176.600 -0.139 0.000 1.008 575 E CA 0.885 57.184 56.400 -0.168 0.000 0.852 575 E CB 0.081 29.666 29.700 -0.191 0.000 0.783 575 E HN 0.316 nan 8.360 nan 0.000 0.505 576 A N -0.430 122.287 122.820 -0.171 0.000 2.345 576 A HA 0.218 4.538 4.320 -0.000 0.000 0.225 576 A C 1.365 178.915 177.584 -0.057 0.000 1.243 576 A CA -0.055 51.912 52.037 -0.117 0.000 0.875 576 A CB 0.011 18.924 19.000 -0.145 0.000 0.929 576 A HN 0.274 nan 8.150 nan 0.000 0.502 577 L N -1.233 119.947 121.223 -0.072 0.000 2.609 577 L HA 0.173 4.512 4.340 -0.000 0.000 0.230 577 L C 0.330 177.257 176.870 0.095 0.000 1.064 577 L CA -0.015 54.824 54.840 -0.001 0.000 0.873 577 L CB -0.033 41.983 42.059 -0.072 0.000 1.139 577 L HN 0.152 nan 8.230 nan 0.000 0.490 578 K N 0.896 121.361 120.400 0.108 0.000 2.382 578 K HA 0.247 4.567 4.320 -0.000 0.000 0.275 578 K C 1.138 177.765 176.600 0.045 0.000 1.009 578 K CA 0.708 57.065 56.287 0.116 0.000 0.970 578 K CB 0.540 33.112 32.500 0.120 0.000 0.934 578 K HN 0.210 nan 8.250 nan 0.000 0.479 579 G N 1.994 110.805 108.800 0.018 0.000 2.284 579 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.261 579 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.261 579 G C 0.139 175.048 174.900 0.015 0.000 0.997 579 G CA 0.323 45.428 45.100 0.008 0.000 0.621 579 G HN 0.572 nan 8.290 nan 0.000 0.534 580 K N 0.157 120.579 120.400 0.038 0.000 2.397 580 K HA 0.332 4.652 4.320 -0.000 0.000 0.265 580 K C 1.650 178.294 176.600 0.073 0.000 0.982 580 K CA 0.154 56.468 56.287 0.045 0.000 0.931 580 K CB 0.362 32.921 32.500 0.099 0.000 0.943 580 K HN 0.337 nan 8.250 nan 0.000 0.501 581 R N 0.450 120.970 120.500 0.033 0.000 2.087 581 R HA 0.078 4.418 4.340 -0.000 0.000 0.216 581 R C 0.090 176.638 176.300 0.414 0.000 1.114 581 R CA 0.576 56.748 56.100 0.120 0.000 1.002 581 R CB 0.176 30.431 30.300 -0.075 0.000 0.903 581 R HN 0.375 nan 8.270 nan 0.000 0.445 582 F N 1.418 121.541 119.950 0.288 0.000 2.539 582 F HA 0.333 4.860 4.527 -0.000 0.000 0.318 582 F C -0.903 175.114 175.800 0.362 0.000 1.135 582 F CA -1.629 56.627 58.000 0.428 0.000 0.915 582 F CB 1.697 40.958 39.000 0.436 0.000 1.176 582 F HN -0.283 nan 8.300 nan 0.000 0.440 583 V N 4.757 124.548 119.914 -0.204 0.000 2.444 583 V HA 0.799 4.918 4.120 -0.000 0.000 0.294 583 V C -0.996 174.850 176.094 -0.414 0.000 1.022 583 V CA -0.985 61.186 62.300 -0.215 0.000 0.850 583 V CB 1.010 32.723 31.823 -0.183 0.000 0.992 583 V HN 0.724 nan 8.190 nan 0.000 0.426 584 V N 3.244 123.044 119.914 -0.190 0.000 2.357 584 V HA 0.639 4.759 4.120 -0.000 0.000 0.284 584 V C -0.143 175.951 176.094 -0.001 0.000 1.018 584 V CA -0.656 61.587 62.300 -0.096 0.000 0.841 584 V CB 1.403 33.259 31.823 0.055 0.000 0.991 584 V HN 0.886 nan 8.190 nan 0.000 0.437 585 M N 4.701 124.288 119.600 -0.021 0.000 2.061 585 M HA 0.398 4.878 4.480 -0.000 0.000 0.346 585 M C -0.223 176.142 176.300 0.108 0.000 1.112 585 M CA -0.070 55.222 55.300 -0.013 0.000 1.021 585 M CB 0.851 33.416 32.600 -0.057 0.000 1.530 585 M HN 0.886 nan 8.290 nan 0.000 0.437 586 H N 4.576 123.634 119.070 -0.020 0.000 2.726 586 H HA 0.457 5.013 4.556 -0.000 0.000 0.244 586 H C -0.898 174.496 175.328 0.110 0.000 1.669 586 H CA -0.348 55.768 56.048 0.113 0.000 1.293 586 H CB 0.440 30.360 29.762 0.264 0.000 1.640 586 H HN 0.670 nan 8.280 nan 0.000 0.553 587 L N 1.001 122.309 121.223 0.142 0.000 2.657 587 L HA 0.165 4.505 4.340 -0.000 0.000 0.240 587 L C 1.303 178.244 176.870 0.118 0.000 1.151 587 L CA 0.033 54.939 54.840 0.111 0.000 0.831 587 L CB 1.329 43.468 42.059 0.135 0.000 1.539 587 L HN 0.491 nan 8.230 nan 0.000 0.511 588 S N -3.207 112.630 115.700 0.228 0.000 2.679 588 S HA 0.286 4.756 4.470 -0.000 0.000 0.258 588 S C -0.126 174.633 174.600 0.265 0.000 1.068 588 S CA -0.408 57.951 58.200 0.265 0.000 1.115 588 S CB 0.202 63.620 63.200 0.363 0.000 1.078 588 S HN 0.623 nan 8.310 nan 0.000 0.603 589 H N 0.176 119.330 119.070 0.141 0.000 2.928 589 H HA 0.641 5.197 4.556 -0.000 0.000 0.371 589 H C -1.471 173.923 175.328 0.110 0.000 1.186 589 H CA -0.927 55.202 56.048 0.134 0.000 1.134 589 H CB 1.122 30.989 29.762 0.175 0.000 1.824 589 H HN 0.148 nan 8.280 nan 0.000 0.554 590 L N 2.758 124.104 121.223 0.204 0.000 2.295 590 L HA 0.193 4.532 4.340 -0.000 0.000 0.288 590 L C -0.171 176.788 176.870 0.148 0.000 1.079 590 L CA -0.116 54.812 54.840 0.146 0.000 0.830 590 L CB -0.477 41.638 42.059 0.094 0.000 1.200 590 L HN 0.610 nan 8.230 nan 0.000 0.438 591 H N 6.547 125.650 119.070 0.055 0.000 2.629 591 H HA 0.246 4.802 4.556 -0.000 0.000 0.357 591 H C -1.991 173.337 175.328 -0.001 0.000 1.121 591 H CA -1.880 54.181 56.048 0.021 0.000 1.406 591 H CB 1.656 31.411 29.762 -0.011 0.000 1.456 591 H HN 0.457 nan 8.280 nan 0.000 0.579 592 P HA -0.140 nan 4.420 nan 0.000 0.217 592 P C 1.931 179.345 177.300 0.189 0.000 1.150 592 P CA 0.536 63.748 63.100 0.187 0.000 0.832 592 P CB 0.459 32.210 31.700 0.085 0.000 0.787 593 L N -0.786 120.588 121.223 0.252 0.000 2.083 593 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 593 L C 2.235 179.020 176.870 -0.141 0.000 1.083 593 L CA 2.273 57.019 54.840 -0.158 0.000 0.752 593 L CB -1.717 40.044 42.059 -0.497 0.000 0.899 593 L HN -0.010 nan 8.230 nan 0.000 0.433 594 A N 0.534 123.300 122.820 -0.089 0.000 1.929 594 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 594 A C 1.986 179.570 177.584 -0.001 0.000 1.176 594 A CA 1.224 53.219 52.037 -0.069 0.000 0.628 594 A CB -0.401 18.569 19.000 -0.050 0.000 0.816 594 A HN 0.650 nan 8.150 nan 0.000 0.444 595 E N -0.653 119.573 120.200 0.043 0.000 2.478 595 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 595 E C 1.450 178.086 176.600 0.060 0.000 1.046 595 E CA 0.726 57.154 56.400 0.048 0.000 0.870 595 E CB -0.108 29.626 29.700 0.056 0.000 0.818 595 E HN 0.592 nan 8.360 nan 0.000 0.527 596 R N -1.390 119.169 120.500 0.099 0.000 2.469 596 R HA 0.186 4.526 4.340 -0.000 0.000 0.250 596 R C 0.243 176.670 176.300 0.212 0.000 0.909 596 R CA 0.089 56.283 56.100 0.158 0.000 1.050 596 R CB 0.537 30.962 30.300 0.208 0.000 1.256 596 R HN 0.111 nan 8.270 nan 0.000 0.550 597 Y N -0.706 119.518 120.300 -0.127 0.000 2.499 597 Y HA 0.481 5.031 4.550 -0.000 0.000 0.253 597 Y C 0.343 176.030 175.900 -0.355 0.000 1.105 597 Y CA -0.915 57.067 58.100 -0.195 0.000 1.240 597 Y CB 1.039 39.386 38.460 -0.188 0.000 1.289 597 Y HN -0.059 nan 8.280 nan 0.000 0.534 598 A N -1.040 121.672 122.820 -0.180 0.000 2.294 598 A HA 0.565 4.885 4.320 -0.000 0.000 0.330 598 A C -0.198 177.193 177.584 -0.321 0.000 1.133 598 A CA -0.223 51.626 52.037 -0.312 0.000 0.836 598 A CB 0.578 19.480 19.000 -0.163 0.000 1.190 598 A HN 0.514 nan 8.150 nan 0.000 0.492 599 H N -0.645 118.366 119.070 -0.099 0.000 2.695 599 H HA 0.354 4.909 4.556 -0.000 0.000 0.267 599 H C -0.715 174.597 175.328 -0.026 0.000 0.973 599 H CA 0.239 56.261 56.048 -0.043 0.000 1.223 599 H CB 1.079 30.842 29.762 0.003 0.000 1.442 599 H HN 0.288 nan 8.280 nan 0.000 0.478 600 V N 2.151 122.049 119.914 -0.026 0.000 2.524 600 V HA 0.241 4.361 4.120 -0.000 0.000 0.297 600 V C -0.859 175.218 176.094 -0.028 0.000 1.035 600 V CA -0.883 61.420 62.300 0.005 0.000 0.867 600 V CB 2.376 34.242 31.823 0.071 0.000 1.004 600 V HN -0.063 nan 8.190 nan 0.000 0.426 601 V N 6.222 126.125 119.914 -0.019 0.000 2.347 601 V HA 0.517 4.637 4.120 -0.000 0.000 0.280 601 V C -0.505 175.576 176.094 -0.022 0.000 1.021 601 V CA -0.521 61.778 62.300 -0.002 0.000 0.847 601 V CB 1.401 33.229 31.823 0.009 0.000 0.990 601 V HN 0.587 nan 8.190 nan 0.000 0.444 602 L N 8.407 129.654 121.223 0.041 0.000 2.296 602 L HA 0.558 4.898 4.340 -0.000 0.000 0.286 602 L C -2.188 174.845 176.870 0.271 0.000 1.023 602 L CA -1.912 52.943 54.840 0.025 0.000 0.812 602 L CB 1.722 43.790 42.059 0.014 0.000 1.223 602 L HN 0.394 nan 8.230 nan 0.000 0.421 603 P HA 0.243 nan 4.420 nan 0.000 0.271 603 P C -1.027 176.485 177.300 0.353 0.000 1.220 603 P CA -0.117 63.132 63.100 0.248 0.000 0.768 603 P CB 1.243 33.067 31.700 0.206 0.000 0.848 604 A N 5.522 128.441 122.820 0.164 0.000 2.387 604 A HA 0.875 5.194 4.320 -0.000 0.000 0.303 604 A C -2.740 174.871 177.584 0.047 0.000 1.145 604 A CA -1.954 50.094 52.037 0.019 0.000 0.801 604 A CB 0.888 19.575 19.000 -0.520 0.000 1.342 604 A HN 0.308 nan 8.150 nan 0.000 0.440 605 P HA 0.403 nan 4.420 nan 0.000 0.290 605 P C 0.223 177.560 177.300 0.063 0.000 1.275 605 P CA -0.230 62.896 63.100 0.044 0.000 0.841 605 P CB 1.169 32.890 31.700 0.036 0.000 1.042 606 T N -0.529 114.067 114.554 0.070 0.000 2.640 606 T HA 0.030 4.380 4.350 -0.000 0.000 0.316 606 T C 1.063 175.806 174.700 0.072 0.000 1.036 606 T CA 0.005 62.173 62.100 0.114 0.000 1.009 606 T CB -0.194 68.678 68.868 0.008 0.000 1.017 606 T HN 0.413 nan 8.240 nan 0.000 0.530 607 F N -1.184 118.752 119.950 -0.023 0.000 2.456 607 F HA 0.189 4.716 4.527 -0.000 0.000 0.298 607 F C 1.846 177.585 175.800 -0.102 0.000 1.104 607 F CA -0.199 57.740 58.000 -0.102 0.000 1.435 607 F CB -0.995 37.906 39.000 -0.164 0.000 1.078 607 F HN 0.466 nan 8.300 nan 0.000 0.546 608 Y N 2.237 122.059 120.300 -0.796 0.000 2.483 608 Y HA -0.113 4.437 4.550 -0.000 0.000 0.291 608 Y C 1.611 177.351 175.900 -0.266 0.000 1.143 608 Y CA 1.255 58.997 58.100 -0.596 0.000 1.289 608 Y CB -0.674 37.430 38.460 -0.593 0.000 0.983 608 Y HN 0.443 nan 8.280 nan 0.000 0.556 609 E N -0.571 119.597 120.200 -0.053 0.000 2.789 609 E HA 0.209 4.559 4.350 -0.000 0.000 0.208 609 E C -0.441 176.144 176.600 -0.024 0.000 0.988 609 E CA -0.219 56.161 56.400 -0.033 0.000 1.092 609 E CB 0.210 29.889 29.700 -0.035 0.000 1.066 609 E HN 0.174 nan 8.360 nan 0.000 0.465 610 K N 1.441 121.832 120.400 -0.015 0.000 2.203 610 K HA 0.423 4.743 4.320 -0.000 0.000 0.251 610 K C -0.573 175.993 176.600 -0.057 0.000 0.944 610 K CA -0.827 55.449 56.287 -0.018 0.000 0.829 610 K CB 2.571 35.082 32.500 0.018 0.000 1.125 610 K HN -0.039 nan 8.250 nan 0.000 0.430 611 R N 1.113 121.540 120.500 -0.122 0.000 2.338 611 R HA 0.536 4.876 4.340 -0.000 0.000 0.317 611 R C -0.563 175.548 176.300 -0.316 0.000 0.968 611 R CA -0.139 55.809 56.100 -0.254 0.000 0.849 611 R CB 1.107 31.175 30.300 -0.387 0.000 1.128 611 R HN 0.910 nan 8.270 nan 0.000 0.448 612 G N 2.267 110.904 108.800 -0.272 0.000 2.333 612 G HA2 0.125 4.084 3.960 -0.000 0.000 0.288 612 G HA3 0.125 4.084 3.960 -0.000 0.000 0.288 612 G C -1.819 172.988 174.900 -0.155 0.000 1.286 612 G CA -0.777 44.191 45.100 -0.220 0.000 0.865 612 G HN 0.551 nan 8.290 nan 0.000 0.506 613 H N -0.985 118.124 119.070 0.064 0.000 2.737 613 H HA 0.869 5.425 4.556 -0.000 0.000 0.358 613 H C -0.238 175.091 175.328 0.001 0.000 1.187 613 H CA -0.523 55.546 56.048 0.035 0.000 1.221 613 H CB 1.571 31.358 29.762 0.041 0.000 1.799 613 H HN 0.452 nan 8.280 nan 0.000 0.568 614 L N 0.412 121.714 121.223 0.133 0.000 2.359 614 L HA 0.484 4.824 4.340 -0.000 0.000 0.256 614 L C -0.764 176.110 176.870 0.008 0.000 1.026 614 L CA -1.214 53.646 54.840 0.033 0.000 0.828 614 L CB 2.726 44.789 42.059 0.007 0.000 1.406 614 L HN 0.176 nan 8.230 nan 0.000 0.413 615 V N 1.192 121.092 119.914 -0.023 0.000 2.409 615 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 615 V C 0.003 176.087 176.094 -0.017 0.000 1.020 615 V CA -0.778 61.510 62.300 -0.021 0.000 0.848 615 V CB 1.519 33.324 31.823 -0.031 0.000 0.990 615 V HN 0.649 nan 8.190 nan 0.000 0.430 616 N N 2.610 121.307 118.700 -0.006 0.000 2.415 616 N HA 0.102 4.842 4.740 -0.000 0.000 0.248 616 N C 1.182 176.697 175.510 0.008 0.000 1.271 616 N CA -0.106 52.943 53.050 -0.002 0.000 0.913 616 N CB 1.054 39.542 38.487 0.002 0.000 1.129 616 N HN 0.787 nan 8.380 nan 0.000 0.444 617 L N 0.831 122.057 121.223 0.005 0.000 2.353 617 L HA -0.026 4.314 4.340 -0.000 0.000 0.220 617 L C 0.943 177.826 176.870 0.021 0.000 1.133 617 L CA 1.458 56.305 54.840 0.012 0.000 0.798 617 L CB -0.219 41.840 42.059 -0.000 0.000 0.922 617 L HN 0.676 nan 8.230 nan 0.000 0.445 618 E N -0.504 119.707 120.200 0.018 0.000 2.451 618 E HA 0.291 4.641 4.350 -0.000 0.000 0.194 618 E C 1.184 177.803 176.600 0.031 0.000 1.027 618 E CA 0.239 56.652 56.400 0.022 0.000 0.914 618 E CB 0.371 30.078 29.700 0.012 0.000 1.054 618 E HN 0.375 nan 8.360 nan 0.000 0.461 619 G N 1.500 110.322 108.800 0.038 0.000 2.162 619 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.260 619 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.260 619 G C 0.293 175.209 174.900 0.026 0.000 0.976 619 G CA 0.452 45.580 45.100 0.045 0.000 0.655 619 G HN 0.386 nan 8.290 nan 0.000 0.533 620 R N -0.345 120.163 120.500 0.013 0.000 2.580 620 R HA 0.635 4.975 4.340 -0.000 0.000 0.267 620 R C 0.440 176.734 176.300 -0.011 0.000 1.125 620 R CA 0.164 56.264 56.100 0.000 0.000 1.188 620 R CB 0.867 31.166 30.300 -0.002 0.000 1.155 620 R HN 0.636 nan 8.270 nan 0.000 0.586 621 V N 0.692 120.588 119.914 -0.029 0.000 2.531 621 V HA 0.543 4.663 4.120 -0.000 0.000 0.301 621 V C -1.030 175.026 176.094 -0.062 0.000 1.034 621 V CA -1.002 61.269 62.300 -0.048 0.000 0.865 621 V CB 1.474 33.248 31.823 -0.081 0.000 0.995 621 V HN 0.473 nan 8.190 nan 0.000 0.424 622 L N 6.643 127.850 121.223 -0.028 0.000 2.342 622 L HA 0.735 5.075 4.340 -0.000 0.000 0.271 622 L C -2.310 174.591 176.870 0.052 0.000 1.008 622 L CA -1.709 53.128 54.840 -0.005 0.000 0.818 622 L CB 2.541 44.609 42.059 0.015 0.000 1.296 622 L HN 0.482 nan 8.230 nan 0.000 0.427 623 P HA 0.173 nan 4.420 nan 0.000 0.275 623 P C -1.206 176.179 177.300 0.142 0.000 1.228 623 P CA -0.387 62.829 63.100 0.193 0.000 0.786 623 P CB 1.561 33.339 31.700 0.130 0.000 0.927 624 L N 2.388 123.694 121.223 0.139 0.000 2.342 624 L HA 0.384 4.724 4.340 -0.000 0.000 0.276 624 L C -0.146 176.742 176.870 0.029 0.000 0.997 624 L CA -0.170 54.719 54.840 0.083 0.000 0.838 624 L CB 1.196 43.301 42.059 0.077 0.000 1.224 624 L HN 0.258 nan 8.230 nan 0.000 0.416 625 S N 5.840 121.559 115.700 0.031 0.000 2.646 625 S HA 0.704 5.174 4.470 -0.000 0.000 0.276 625 S C -2.574 172.018 174.600 -0.012 0.000 1.222 625 S CA -0.902 57.297 58.200 -0.003 0.000 1.014 625 S CB 1.385 64.590 63.200 0.009 0.000 0.991 625 S HN 0.502 nan 8.310 nan 0.000 0.533 626 P HA 0.403 nan 4.420 nan 0.000 0.300 626 P C -1.403 175.875 177.300 -0.036 0.000 1.356 626 P CA -0.501 62.576 63.100 -0.038 0.000 0.823 626 P CB 0.945 32.612 31.700 -0.055 0.000 0.934 627 A N 6.033 128.829 122.820 -0.039 0.000 2.371 627 A HA 0.456 4.776 4.320 -0.000 0.000 0.257 627 A C -1.798 175.749 177.584 -0.063 0.000 1.089 627 A CA -1.456 50.547 52.037 -0.057 0.000 0.794 627 A CB -0.754 18.196 19.000 -0.084 0.000 1.029 627 A HN 0.351 nan 8.150 nan 0.000 0.488 628 P HA 0.114 nan 4.420 nan 0.000 0.269 628 P C -0.408 176.851 177.300 -0.068 0.000 1.601 628 P CA 0.288 63.354 63.100 -0.057 0.000 0.831 628 P CB -0.529 31.140 31.700 -0.051 0.000 1.688 629 I N -0.650 119.872 120.570 -0.081 0.000 3.021 629 I HA 0.139 4.309 4.170 -0.000 0.000 0.303 629 I C 1.107 177.183 176.117 -0.069 0.000 1.044 629 I CA -0.859 60.384 61.300 -0.094 0.000 1.266 629 I CB 0.489 38.412 38.000 -0.128 0.000 1.447 629 I HN -0.136 nan 8.210 nan 0.000 0.593 630 E N 3.387 123.545 120.200 -0.070 0.000 1.858 630 E HA -0.033 4.317 4.350 -0.000 0.000 0.267 630 E C 0.729 177.303 176.600 -0.042 0.000 1.215 630 E CA -0.110 56.261 56.400 -0.049 0.000 0.952 630 E CB -0.207 29.464 29.700 -0.047 0.000 1.058 630 E HN 0.505 nan 8.360 nan 0.000 0.407 631 N N 3.994 122.680 118.700 -0.024 0.000 2.515 631 N HA -0.044 4.696 4.740 -0.000 0.000 0.185 631 N C 1.121 176.644 175.510 0.022 0.000 1.109 631 N CA 0.629 53.677 53.050 -0.003 0.000 0.903 631 N CB -0.183 38.308 38.487 0.007 0.000 0.969 631 N HN 0.479 nan 8.380 nan 0.000 0.450 632 G N 1.800 110.609 108.800 0.016 0.000 2.596 632 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.295 632 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.295 632 G C -0.306 174.636 174.900 0.070 0.000 1.240 632 G CA 0.450 45.572 45.100 0.037 0.000 0.985 632 G HN 0.473 nan 8.290 nan 0.000 0.555 633 E N 1.387 121.658 120.200 0.117 0.000 2.464 633 E HA 0.551 4.901 4.350 -0.000 0.000 0.260 633 E C 0.487 177.270 176.600 0.306 0.000 1.318 633 E CA 0.228 56.742 56.400 0.191 0.000 1.571 633 E CB -0.524 29.314 29.700 0.230 0.000 1.525 633 E HN 0.858 nan 8.360 nan 0.000 0.449 634 A N 1.779 124.730 122.820 0.217 0.000 2.320 634 A HA 0.620 4.940 4.320 -0.000 0.000 0.334 634 A C -0.405 177.296 177.584 0.196 0.000 1.147 634 A CA -0.670 51.538 52.037 0.285 0.000 0.820 634 A CB 1.182 20.297 19.000 0.191 0.000 1.218 634 A HN 0.310 nan 8.150 nan 0.000 0.482 635 E N 0.136 120.499 120.200 0.273 0.000 2.317 635 E HA 0.501 4.850 4.350 -0.000 0.000 0.270 635 E C 0.155 176.898 176.600 0.237 0.000 0.885 635 E CA -0.447 56.002 56.400 0.082 0.000 0.760 635 E CB 1.972 31.501 29.700 -0.284 0.000 1.227 635 E HN 0.883 nan 8.360 nan 0.000 0.434 636 G N 0.258 109.140 108.800 0.137 0.000 2.636 636 G HA2 0.273 4.233 3.960 -0.000 0.000 0.246 636 G HA3 0.273 4.233 3.960 -0.000 0.000 0.246 636 G C 0.784 175.880 174.900 0.325 0.000 1.216 636 G CA 0.341 45.554 45.100 0.188 0.000 0.854 636 G HN 0.469 nan 8.290 nan 0.000 0.572 637 A N 0.585 123.640 122.820 0.391 0.000 2.066 637 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 637 A C 2.241 179.902 177.584 0.128 0.000 1.157 637 A CA 1.276 53.552 52.037 0.398 0.000 0.670 637 A CB -0.373 18.886 19.000 0.432 0.000 0.804 637 A HN 0.640 nan 8.150 nan 0.000 0.453 638 L N 0.036 121.314 121.223 0.091 0.000 1.956 638 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 638 L C 2.510 179.387 176.870 0.011 0.000 1.073 638 L CA 2.919 57.779 54.840 0.033 0.000 0.762 638 L CB -1.075 41.016 42.059 0.052 0.000 0.889 638 L HN 0.551 nan 8.230 nan 0.000 0.433 639 Q N -1.025 118.780 119.800 0.008 0.000 1.993 639 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 639 Q C 2.085 178.055 176.000 -0.050 0.000 0.984 639 Q CA 2.782 58.560 55.803 -0.042 0.000 0.837 639 Q CB -0.629 28.048 28.738 -0.101 0.000 0.902 639 Q HN 0.378 nan 8.270 nan 0.000 0.423 640 V N 0.881 120.780 119.914 -0.024 0.000 2.370 640 V HA -0.307 3.813 4.120 -0.000 0.000 0.252 640 V C 2.344 178.385 176.094 -0.087 0.000 1.068 640 V CA 1.817 64.104 62.300 -0.021 0.000 1.061 640 V CB -0.604 31.130 31.823 -0.148 0.000 0.656 640 V HN 0.440 nan 8.190 nan 0.000 0.455 641 L N -0.333 120.806 121.223 -0.140 0.000 2.017 641 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 641 L C 2.700 179.510 176.870 -0.100 0.000 1.073 641 L CA 1.732 56.448 54.840 -0.206 0.000 0.745 641 L CB -0.790 41.144 42.059 -0.208 0.000 0.894 641 L HN 0.403 nan 8.230 nan 0.000 0.432 642 A N -0.490 122.298 122.820 -0.052 0.000 2.019 642 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 642 A C 2.125 179.712 177.584 0.004 0.000 1.164 642 A CA 1.354 53.382 52.037 -0.016 0.000 0.644 642 A CB -0.491 18.503 19.000 -0.010 0.000 0.805 642 A HN 0.329 nan 8.150 nan 0.000 0.449 643 L N -1.531 119.698 121.223 0.009 0.000 2.217 643 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 643 L C 1.921 178.924 176.870 0.223 0.000 1.107 643 L CA 1.072 55.966 54.840 0.089 0.000 0.783 643 L CB -0.256 41.868 42.059 0.109 0.000 0.919 643 L HN 0.335 nan 8.230 nan 0.000 0.442 644 L N -1.510 119.774 121.223 0.101 0.000 2.509 644 L HA 0.217 4.557 4.340 -0.000 0.000 0.222 644 L C 2.174 179.076 176.870 0.053 0.000 1.123 644 L CA 1.087 55.977 54.840 0.083 0.000 0.856 644 L CB -0.435 41.616 42.059 -0.014 0.000 0.985 644 L HN 0.199 nan 8.230 nan 0.000 0.456 645 A N -1.210 121.637 122.820 0.044 0.000 1.903 645 A HA -0.055 4.265 4.320 -0.000 0.000 0.213 645 A C 2.130 179.750 177.584 0.059 0.000 1.185 645 A CA 0.813 52.870 52.037 0.032 0.000 0.628 645 A CB -0.212 18.800 19.000 0.020 0.000 0.830 645 A HN 0.409 nan 8.150 nan 0.000 0.446 646 E N 0.077 120.341 120.200 0.107 0.000 2.017 646 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 646 E C 2.139 178.812 176.600 0.122 0.000 0.997 646 E CA 1.009 57.495 56.400 0.144 0.000 0.804 646 E CB -0.312 29.535 29.700 0.246 0.000 0.757 646 E HN 0.544 nan 8.360 nan 0.000 0.448 647 A N 0.598 123.507 122.820 0.149 0.000 2.285 647 A HA -0.120 4.199 4.320 -0.000 0.000 0.214 647 A C 1.671 179.235 177.584 -0.033 0.000 1.188 647 A CA 0.996 53.038 52.037 0.007 0.000 0.707 647 A CB -0.237 18.760 19.000 -0.006 0.000 0.771 647 A HN 0.181 nan 8.150 nan 0.000 0.488 648 L N -2.831 118.389 121.223 -0.004 0.000 3.298 648 L HA 0.396 4.736 4.340 -0.000 0.000 0.296 648 L C 1.136 177.995 176.870 -0.019 0.000 1.237 648 L CA 0.216 55.038 54.840 -0.030 0.000 1.038 648 L CB 0.349 42.394 42.059 -0.022 0.000 1.423 648 L HN 0.552 nan 8.230 nan 0.000 0.605 649 G N 0.148 108.946 108.800 -0.003 0.000 2.731 649 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 649 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 649 G C -0.250 174.658 174.900 0.014 0.000 1.349 649 G CA -0.332 44.768 45.100 -0.000 0.000 1.225 649 G HN -0.192 nan 8.290 nan 0.000 0.526 650 V N 3.697 123.617 119.914 0.011 0.000 2.644 650 V HA 0.344 4.464 4.120 -0.000 0.000 0.305 650 V C 1.427 177.536 176.094 0.025 0.000 1.053 650 V CA 1.233 63.543 62.300 0.017 0.000 1.186 650 V CB 0.473 32.305 31.823 0.016 0.000 0.895 650 V HN 1.047 nan 8.190 nan 0.000 0.490 651 R N 8.113 128.628 120.500 0.026 0.000 2.643 651 R HA 0.336 4.676 4.340 -0.000 0.000 0.270 651 R C -2.404 173.919 176.300 0.037 0.000 1.061 651 R CA -1.165 54.953 56.100 0.030 0.000 1.107 651 R CB -0.623 29.691 30.300 0.022 0.000 0.999 651 R HN 0.494 nan 8.270 nan 0.000 0.460 652 P HA 0.126 nan 4.420 nan 0.000 0.271 652 P C -2.168 175.192 177.300 0.101 0.000 1.216 652 P CA -1.484 61.663 63.100 0.078 0.000 0.776 652 P CB 0.795 32.536 31.700 0.068 0.000 0.881 653 P HA 0.151 nan 4.420 nan 0.000 0.245 653 P C -0.398 176.901 177.300 -0.001 0.000 1.206 653 P CA 0.841 64.000 63.100 0.099 0.000 0.781 653 P CB 0.097 31.882 31.700 0.143 0.000 0.994 654 F N -1.001 118.931 119.950 -0.029 0.000 2.508 654 F HA 0.506 5.033 4.527 -0.000 0.000 0.325 654 F C 1.462 177.240 175.800 -0.037 0.000 1.090 654 F CA -0.699 57.281 58.000 -0.034 0.000 0.945 654 F CB 1.818 40.800 39.000 -0.031 0.000 1.156 654 F HN -0.396 nan 8.300 nan 0.000 0.463 655 R N 0.826 121.394 120.500 0.113 0.000 2.096 655 R HA 0.513 4.853 4.340 -0.000 0.000 0.130 655 R C -0.196 176.133 176.300 0.048 0.000 1.990 655 R CA -0.485 55.643 56.100 0.046 0.000 1.660 655 R CB -0.023 30.274 30.300 -0.005 0.000 1.387 655 R HN 0.375 nan 8.270 nan 0.000 0.482 656 L N 0.832 122.071 121.223 0.026 0.000 2.567 656 L HA 0.162 4.502 4.340 -0.000 0.000 0.238 656 L C 1.649 178.566 176.870 0.079 0.000 1.168 656 L CA -0.331 54.533 54.840 0.042 0.000 0.817 656 L CB 0.229 42.300 42.059 0.019 0.000 1.409 656 L HN 0.505 nan 8.230 nan 0.000 0.502 657 H N 0.080 119.150 119.070 -0.001 0.000 2.448 657 H HA -0.024 4.532 4.556 -0.000 0.000 0.292 657 H C 2.004 177.325 175.328 -0.011 0.000 1.035 657 H CA 1.131 57.178 56.048 -0.003 0.000 1.349 657 H CB 0.477 30.222 29.762 -0.029 0.000 1.425 657 H HN 0.492 nan 8.280 nan 0.000 0.539 658 L N 0.945 122.123 121.223 -0.076 0.000 2.081 658 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 658 L C 2.132 178.903 176.870 -0.166 0.000 1.080 658 L CA 1.603 56.370 54.840 -0.122 0.000 0.754 658 L CB -0.028 42.016 42.059 -0.026 0.000 0.893 658 L HN 0.289 nan 8.230 nan 0.000 0.433 659 E N -0.574 119.546 120.200 -0.133 0.000 2.166 659 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 659 E C 2.177 178.663 176.600 -0.190 0.000 0.967 659 E CA 0.935 57.246 56.400 -0.147 0.000 0.840 659 E CB -0.205 29.416 29.700 -0.131 0.000 0.795 659 E HN 0.514 nan 8.360 nan 0.000 0.470 660 A N 1.931 124.678 122.820 -0.122 0.000 1.978 660 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 660 A C 2.095 179.665 177.584 -0.025 0.000 1.170 660 A CA 1.249 53.304 52.037 0.031 0.000 0.636 660 A CB -0.370 18.804 19.000 0.290 0.000 0.810 660 A HN 0.077 nan 8.150 nan 0.000 0.448 661 Q N -0.219 119.474 119.800 -0.179 0.000 2.226 661 Q HA -0.143 4.196 4.340 -0.000 0.000 0.204 661 Q C 1.618 177.576 176.000 -0.070 0.000 0.975 661 Q CA 1.152 56.866 55.803 -0.148 0.000 0.866 661 Q CB -0.220 28.373 28.738 -0.241 0.000 0.915 661 Q HN 0.557 nan 8.270 nan 0.000 0.440 662 K N 0.083 120.421 120.400 -0.103 0.000 2.217 662 K HA 0.039 4.359 4.320 -0.000 0.000 0.202 662 K C 1.807 178.365 176.600 -0.071 0.000 1.051 662 K CA 0.954 57.190 56.287 -0.086 0.000 0.952 662 K CB -0.189 32.244 32.500 -0.113 0.000 0.736 662 K HN 0.130 nan 8.250 nan 0.000 0.453 663 A N 0.852 123.620 122.820 -0.088 0.000 2.067 663 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 663 A C 2.160 179.792 177.584 0.081 0.000 1.156 663 A CA 0.631 52.654 52.037 -0.023 0.000 0.683 663 A CB -0.334 18.621 19.000 -0.075 0.000 0.808 663 A HN 0.135 nan 8.150 nan 0.000 0.455 664 L N -1.034 120.236 121.223 0.079 0.000 2.162 664 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 664 L C 2.385 179.280 176.870 0.041 0.000 1.086 664 L CA 1.275 56.158 54.840 0.071 0.000 0.778 664 L CB -0.252 41.861 42.059 0.090 0.000 0.928 664 L HN 0.329 nan 8.230 nan 0.000 0.446 665 K N 0.421 120.837 120.400 0.026 0.000 2.555 665 K HA -0.061 4.259 4.320 -0.000 0.000 0.193 665 K C 1.671 178.276 176.600 0.008 0.000 1.032 665 K CA 0.770 57.065 56.287 0.014 0.000 1.004 665 K CB 0.173 32.674 32.500 0.003 0.000 0.804 665 K HN 0.280 nan 8.250 nan 0.000 0.496 666 A N 0.298 123.124 122.820 0.010 0.000 2.014 666 A HA 0.092 4.412 4.320 -0.000 0.000 0.210 666 A C 1.704 179.300 177.584 0.020 0.000 1.188 666 A CA -0.005 52.037 52.037 0.008 0.000 0.731 666 A CB 0.079 19.079 19.000 -0.001 0.000 0.858 666 A HN 0.087 nan 8.150 nan 0.000 0.464 667 R N -0.028 120.488 120.500 0.027 0.000 2.280 667 R HA 0.032 4.372 4.340 -0.000 0.000 0.207 667 R C -0.211 176.102 176.300 0.021 0.000 1.043 667 R CA 0.655 56.770 56.100 0.024 0.000 1.006 667 R CB -0.487 29.821 30.300 0.013 0.000 0.885 667 R HN 0.613 nan 8.270 nan 0.000 0.467 668 K N -0.234 120.178 120.400 0.020 0.000 3.263 668 K HA -0.104 4.216 4.320 -0.000 0.000 0.277 668 K C -0.430 176.181 176.600 0.017 0.000 1.207 668 K CA 0.505 56.804 56.287 0.020 0.000 0.818 668 K CB -1.931 30.584 32.500 0.026 0.000 1.313 668 K HN 0.052 nan 8.250 nan 0.000 0.512 669 V N 2.169 122.090 119.914 0.012 0.000 2.427 669 V HA 0.254 4.374 4.120 -0.000 0.000 0.268 669 V C -1.387 174.709 176.094 0.003 0.000 1.046 669 V CA -1.516 60.787 62.300 0.005 0.000 0.970 669 V CB 0.494 32.318 31.823 0.000 0.000 1.001 669 V HN 0.148 nan 8.190 nan 0.000 0.476 670 P HA 0.021 nan 4.420 nan 0.000 0.271 670 P C 0.137 177.414 177.300 -0.037 0.000 1.233 670 P CA 0.067 63.159 63.100 -0.013 0.000 0.795 670 P CB 0.721 32.414 31.700 -0.011 0.000 0.936 671 E N -0.111 120.065 120.200 -0.041 0.000 3.056 671 E HA 0.293 4.643 4.350 -0.000 0.000 0.275 671 E C 0.100 176.621 176.600 -0.132 0.000 1.468 671 E CA -0.657 55.700 56.400 -0.072 0.000 1.219 671 E CB 0.221 29.897 29.700 -0.040 0.000 1.119 671 E HN 0.553 nan 8.360 nan 0.000 0.710 672 A N 0.801 123.522 122.820 -0.166 0.000 2.498 672 A HA 0.140 4.460 4.320 -0.000 0.000 0.239 672 A C 0.505 178.036 177.584 -0.090 0.000 1.068 672 A CA 0.155 52.086 52.037 -0.176 0.000 0.766 672 A CB 0.335 19.249 19.000 -0.143 0.000 1.003 672 A HN 0.779 nan 8.150 nan 0.000 0.497 673 M N -0.740 118.815 119.600 -0.075 0.000 2.937 673 M HA -0.172 4.308 4.480 -0.000 0.000 0.191 673 M C 0.877 177.158 176.300 -0.031 0.000 0.626 673 M CA 1.503 56.779 55.300 -0.041 0.000 0.728 673 M CB -2.472 30.111 32.600 -0.028 0.000 2.616 673 M HN 1.162 nan 8.290 nan 0.000 0.285 674 G N 0.520 109.297 108.800 -0.039 0.000 2.621 674 G HA2 0.564 4.524 3.960 -0.000 0.000 0.271 674 G HA3 0.564 4.524 3.960 -0.000 0.000 0.271 674 G C -0.102 174.789 174.900 -0.015 0.000 1.236 674 G CA -0.515 44.571 45.100 -0.023 0.000 0.958 674 G HN 0.385 nan 8.290 nan 0.000 0.512 675 R N -0.368 120.132 120.500 -0.001 0.000 2.561 675 R HA 0.344 4.684 4.340 -0.000 0.000 0.297 675 R C -1.043 175.272 176.300 0.025 0.000 0.969 675 R CA -0.836 55.271 56.100 0.012 0.000 0.879 675 R CB 2.196 32.508 30.300 0.019 0.000 1.178 675 R HN 0.318 nan 8.270 nan 0.000 0.445 676 L N 3.022 124.266 121.223 0.034 0.000 2.264 676 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 676 L C -0.731 176.201 176.870 0.102 0.000 1.039 676 L CA 0.004 54.877 54.840 0.054 0.000 0.829 676 L CB 1.476 43.553 42.059 0.030 0.000 1.211 676 L HN 0.610 nan 8.230 nan 0.000 0.427 677 S N 6.248 122.012 115.700 0.107 0.000 2.510 677 S HA 0.412 4.881 4.470 -0.000 0.000 0.279 677 S C -0.619 174.116 174.600 0.226 0.000 1.284 677 S CA -0.024 58.254 58.200 0.130 0.000 1.059 677 S CB 0.230 63.481 63.200 0.084 0.000 0.901 677 S HN 0.522 nan 8.310 nan 0.000 0.491 678 F N 3.429 123.399 119.950 0.033 0.000 3.306 678 F HA 0.355 4.882 4.527 -0.000 0.000 0.370 678 F C -0.745 175.079 175.800 0.040 0.000 1.251 678 F CA -0.513 57.508 58.000 0.035 0.000 1.276 678 F CB 0.715 39.736 39.000 0.035 0.000 1.682 678 F HN 0.447 nan 8.300 nan 0.000 0.697 679 R N 4.012 124.225 120.500 -0.478 0.000 2.598 679 R HA 0.830 5.170 4.340 -0.000 0.000 0.279 679 R C -1.850 174.071 176.300 -0.630 0.000 0.984 679 R CA -1.365 54.478 56.100 -0.428 0.000 0.999 679 R CB 2.228 32.408 30.300 -0.200 0.000 1.114 679 R HN 0.586 nan 8.270 nan 0.000 0.493 680 L N 1.520 122.503 121.223 -0.400 0.000 2.482 680 L HA 0.355 4.695 4.340 -0.000 0.000 0.269 680 L C -1.357 175.420 176.870 -0.155 0.000 0.967 680 L CA -0.251 54.411 54.840 -0.298 0.000 0.851 680 L CB 1.670 43.597 42.059 -0.219 0.000 1.242 680 L HN 0.470 nan 8.230 nan 0.000 0.404 681 K N 4.896 125.225 120.400 -0.119 0.000 2.389 681 K HA 0.656 4.976 4.320 -0.000 0.000 0.261 681 K C -1.391 175.180 176.600 -0.049 0.000 1.014 681 K CA -0.115 56.118 56.287 -0.090 0.000 0.920 681 K CB 0.646 33.095 32.500 -0.086 0.000 1.149 681 K HN 0.829 nan 8.250 nan 0.000 0.444 682 E N 3.299 123.477 120.200 -0.037 0.000 2.532 682 E HA 0.183 4.533 4.350 -0.000 0.000 0.289 682 E C -1.643 174.959 176.600 0.003 0.000 1.165 682 E CA -1.015 55.380 56.400 -0.009 0.000 0.926 682 E CB 0.224 29.930 29.700 0.011 0.000 1.164 682 E HN 0.333 nan 8.360 nan 0.000 0.436 683 L N -0.884 120.345 121.223 0.010 0.000 2.505 683 L HA 0.691 5.031 4.340 -0.000 0.000 0.266 683 L C -0.788 176.095 176.870 0.023 0.000 0.954 683 L CA -1.269 53.583 54.840 0.020 0.000 0.852 683 L CB 1.997 44.064 42.059 0.013 0.000 1.282 683 L HN 0.652 nan 8.230 nan 0.000 0.403 684 R N 1.676 122.195 120.500 0.031 0.000 2.280 684 R HA 0.536 4.876 4.340 -0.000 0.000 0.326 684 R C -2.662 173.649 176.300 0.018 0.000 1.080 684 R CA -1.458 54.656 56.100 0.023 0.000 1.002 684 R CB 0.654 30.970 30.300 0.027 0.000 1.136 684 R HN 0.444 nan 8.270 nan 0.000 0.509 685 P HA 0.151 nan 4.420 nan 0.000 0.282 685 P C -0.927 176.373 177.300 -0.001 0.000 1.286 685 P CA -0.396 62.710 63.100 0.011 0.000 0.777 685 P CB 0.829 32.534 31.700 0.008 0.000 1.184 686 K N -0.677 119.723 120.400 -0.001 0.000 2.610 686 K HA 0.123 4.443 4.320 -0.000 0.000 0.267 686 K C -0.919 175.677 176.600 -0.005 0.000 0.943 686 K CA -0.570 55.710 56.287 -0.013 0.000 0.862 686 K CB 1.369 33.850 32.500 -0.031 0.000 1.376 686 K HN 0.577 nan 8.250 nan 0.000 0.412 687 E N 3.910 124.105 120.200 -0.010 0.000 2.360 687 E HA 0.211 4.561 4.350 -0.000 0.000 0.269 687 E C -0.679 175.923 176.600 0.002 0.000 1.022 687 E CA -0.525 55.873 56.400 -0.002 0.000 0.887 687 E CB 0.821 30.518 29.700 -0.006 0.000 0.990 687 E HN 0.183 nan 8.360 nan 0.000 0.426 688 R N 3.146 123.654 120.500 0.014 0.000 2.320 688 R HA 0.129 4.469 4.340 -0.000 0.000 0.319 688 R C -0.457 175.861 176.300 0.030 0.000 0.969 688 R CA -0.722 55.395 56.100 0.028 0.000 0.857 688 R CB 1.137 31.463 30.300 0.043 0.000 1.160 688 R HN 0.672 nan 8.270 nan 0.000 0.491 689 K N 1.159 121.579 120.400 0.034 0.000 2.243 689 K HA 0.138 4.458 4.320 -0.000 0.000 0.232 689 K C 0.497 177.133 176.600 0.059 0.000 1.237 689 K CA -0.220 56.090 56.287 0.039 0.000 1.161 689 K CB -0.175 32.345 32.500 0.034 0.000 1.505 689 K HN 0.557 nan 8.250 nan 0.000 0.271 690 G N 1.365 110.188 108.800 0.038 0.000 2.230 690 G HA2 0.114 4.073 3.960 -0.000 0.000 0.282 690 G HA3 0.114 4.073 3.960 -0.000 0.000 0.282 690 G C 0.507 175.430 174.900 0.039 0.000 0.999 690 G CA 0.188 45.298 45.100 0.016 0.000 1.326 690 G HN 0.697 nan 8.290 nan 0.000 0.397 691 A N 3.099 125.981 122.820 0.104 0.000 1.773 691 A HA 0.641 4.961 4.320 -0.000 0.000 0.210 691 A C 0.050 177.668 177.584 0.057 0.000 1.775 691 A CA 0.059 52.173 52.037 0.128 0.000 1.157 691 A CB 0.623 19.782 19.000 0.265 0.000 1.119 691 A HN 0.455 nan 8.150 nan 0.000 0.501 692 F N -0.486 119.525 119.950 0.101 0.000 2.495 692 F HA 0.582 5.109 4.527 -0.000 0.000 0.327 692 F C -0.636 175.278 175.800 0.190 0.000 1.103 692 F CA -0.979 57.105 58.000 0.141 0.000 0.949 692 F CB 1.631 40.688 39.000 0.095 0.000 1.142 692 F HN 0.267 nan 8.300 nan 0.000 0.457 693 Y N 4.341 124.788 120.300 0.244 0.000 2.326 693 Y HA 0.522 5.072 4.550 -0.000 0.000 0.337 693 Y C -0.888 175.043 175.900 0.052 0.000 1.023 693 Y CA -1.365 56.808 58.100 0.121 0.000 1.143 693 Y CB 0.818 39.326 38.460 0.081 0.000 1.183 693 Y HN 0.436 nan 8.280 nan 0.000 0.485 694 L N 8.216 129.145 121.223 -0.490 0.000 2.302 694 L HA 0.359 4.699 4.340 -0.000 0.000 0.285 694 L C 0.438 176.754 176.870 -0.924 0.000 1.090 694 L CA -0.307 54.215 54.840 -0.530 0.000 0.866 694 L CB 0.203 42.076 42.059 -0.310 0.000 1.244 694 L HN 0.555 nan 8.230 nan 0.000 0.435 695 R N 6.645 126.647 120.500 -0.830 0.000 2.351 695 R HA 0.196 4.536 4.340 -0.000 0.000 0.318 695 R C -2.207 173.819 176.300 -0.457 0.000 1.055 695 R CA -1.378 54.267 56.100 -0.757 0.000 0.968 695 R CB 0.714 30.585 30.300 -0.714 0.000 0.974 695 R HN 0.248 nan 8.270 nan 0.000 0.439 696 P HA -0.023 nan 4.420 nan 0.000 0.264 696 P C -0.771 176.450 177.300 -0.131 0.000 1.193 696 P CA 0.275 63.267 63.100 -0.181 0.000 0.763 696 P CB 0.944 32.595 31.700 -0.081 0.000 0.810 697 T N -0.285 114.192 114.554 -0.130 0.000 2.906 697 T HA 0.364 4.713 4.350 -0.000 0.000 0.295 697 T C 1.060 175.719 174.700 -0.068 0.000 1.075 697 T CA -0.933 61.121 62.100 -0.078 0.000 1.005 697 T CB 1.672 70.491 68.868 -0.082 0.000 1.136 697 T HN 0.313 nan 8.240 nan 0.000 0.498 698 M N 0.193 119.764 119.600 -0.048 0.000 2.062 698 M HA 0.164 4.644 4.480 -0.000 0.000 0.259 698 M C -0.254 175.933 176.300 -0.189 0.000 1.076 698 M CA 1.073 56.278 55.300 -0.159 0.000 1.122 698 M CB -0.068 32.381 32.600 -0.252 0.000 1.312 698 M HN 0.696 nan 8.290 nan 0.000 0.412 699 W N 3.113 124.344 121.300 -0.114 0.000 2.223 699 W HA 0.092 4.752 4.660 -0.000 0.000 0.334 699 W C 0.202 176.610 176.519 -0.185 0.000 1.334 699 W CA -0.299 56.966 57.345 -0.133 0.000 1.246 699 W CB 0.060 29.460 29.460 -0.100 0.000 1.184 699 W HN 0.022 nan 8.180 nan 0.000 0.563 700 K N 1.812 122.191 120.400 -0.035 0.000 2.087 700 K HA 0.450 4.770 4.320 -0.000 0.000 0.255 700 K C 0.854 177.307 176.600 -0.245 0.000 0.988 700 K CA -0.222 55.951 56.287 -0.190 0.000 0.915 700 K CB 0.955 33.274 32.500 -0.301 0.000 1.043 700 K HN 0.424 nan 8.250 nan 0.000 0.457 701 A N 1.245 123.941 122.820 -0.206 0.000 2.016 701 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 701 A C 1.307 178.767 177.584 -0.207 0.000 1.162 701 A CA 1.043 52.987 52.037 -0.155 0.000 0.662 701 A CB -0.757 18.192 19.000 -0.086 0.000 0.812 701 A HN 0.817 nan 8.150 nan 0.000 0.450 702 H N -0.716 118.184 119.070 -0.284 0.000 2.556 702 H HA 0.144 4.700 4.556 -0.000 0.000 0.268 702 H C 0.854 175.861 175.328 -0.534 0.000 0.996 702 H CA 0.886 56.677 56.048 -0.428 0.000 1.157 702 H CB -0.261 29.122 29.762 -0.632 0.000 1.355 702 H HN 0.613 nan 8.280 nan 0.000 0.597 703 Q N 0.669 120.075 119.800 -0.657 0.000 2.360 703 Q HA 0.261 4.601 4.340 -0.000 0.000 0.202 703 Q C 0.835 176.810 176.000 -0.041 0.000 0.915 703 Q CA 0.206 55.805 55.803 -0.339 0.000 0.943 703 Q CB 0.638 29.311 28.738 -0.109 0.000 1.064 703 Q HN 0.458 nan 8.270 nan 0.000 0.511 704 A N 1.791 124.558 122.820 -0.088 0.000 3.048 704 A HA 0.307 4.627 4.320 -0.000 0.000 0.264 704 A C 0.140 177.722 177.584 -0.004 0.000 1.796 704 A CA -0.163 51.833 52.037 -0.069 0.000 1.445 704 A CB -0.826 18.116 19.000 -0.097 0.000 1.074 704 A HN 0.136 nan 8.150 nan 0.000 0.621 705 V N -1.869 118.081 119.914 0.060 0.000 2.789 705 V HA 0.911 5.031 4.120 -0.000 0.000 0.311 705 V C 0.801 176.946 176.094 0.085 0.000 1.073 705 V CA -0.126 62.235 62.300 0.101 0.000 0.921 705 V CB 0.697 32.646 31.823 0.209 0.000 1.009 705 V HN 1.860 nan 8.190 nan 0.000 0.426 706 G N 3.701 112.532 108.800 0.052 0.000 2.846 706 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.317 706 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.317 706 G C 0.854 175.750 174.900 -0.007 0.000 1.210 706 G CA 0.735 45.856 45.100 0.035 0.000 0.972 706 G HN 0.848 nan 8.290 nan 0.000 0.567 707 K N 1.081 121.492 120.400 0.019 0.000 2.128 707 K HA 0.386 4.706 4.320 -0.000 0.000 0.202 707 K C 2.518 179.068 176.600 -0.084 0.000 1.050 707 K CA 1.150 57.401 56.287 -0.058 0.000 0.966 707 K CB -0.439 32.066 32.500 0.008 0.000 0.759 707 K HN 0.835 nan 8.250 nan 0.000 0.454 708 A N 2.146 125.056 122.820 0.149 0.000 2.233 708 A HA -0.074 4.246 4.320 -0.000 0.000 0.230 708 A C 1.805 179.294 177.584 -0.158 0.000 1.347 708 A CA 0.372 52.441 52.037 0.055 0.000 1.087 708 A CB -0.545 18.548 19.000 0.154 0.000 0.871 708 A HN 0.338 nan 8.150 nan 0.000 0.519 709 Q N -0.613 119.101 119.800 -0.144 0.000 2.137 709 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 709 Q C 1.478 177.368 176.000 -0.183 0.000 0.960 709 Q CA 1.274 56.996 55.803 -0.135 0.000 0.847 709 Q CB 0.079 28.756 28.738 -0.101 0.000 0.915 709 Q HN 0.613 nan 8.270 nan 0.000 0.448 710 E N -0.771 119.292 120.200 -0.227 0.000 2.364 710 E HA 0.068 4.418 4.350 -0.000 0.000 0.196 710 E C 1.296 177.720 176.600 -0.292 0.000 0.990 710 E CA 0.625 56.895 56.400 -0.218 0.000 0.886 710 E CB 0.481 30.070 29.700 -0.186 0.000 0.866 710 E HN 0.352 nan 8.360 nan 0.000 0.493 711 A N 0.519 123.073 122.820 -0.444 0.000 2.208 711 A HA 0.229 4.549 4.320 -0.000 0.000 0.209 711 A C 1.693 178.689 177.584 -0.981 0.000 1.161 711 A CA 1.039 52.665 52.037 -0.686 0.000 0.782 711 A CB 0.117 18.631 19.000 -0.811 0.000 0.816 711 A HN 0.107 nan 8.150 nan 0.000 0.477 712 A N -0.587 121.854 122.820 -0.633 0.000 2.610 712 A HA 0.436 4.756 4.320 -0.000 0.000 0.291 712 A C 0.617 178.079 177.584 -0.204 0.000 1.116 712 A CA -0.404 51.411 52.037 -0.370 0.000 0.963 712 A CB -0.172 18.683 19.000 -0.242 0.000 1.220 712 A HN 0.375 nan 8.150 nan 0.000 0.530 713 R N 0.812 121.194 120.500 -0.197 0.000 2.490 713 R HA 0.553 4.893 4.340 -0.000 0.000 0.280 713 R C 0.401 176.641 176.300 -0.099 0.000 1.077 713 R CA 0.434 56.458 56.100 -0.127 0.000 1.065 713 R CB 0.547 30.780 30.300 -0.112 0.000 1.003 713 R HN 0.321 nan 8.270 nan 0.000 0.470 714 A N 3.714 126.485 122.820 -0.082 0.000 2.366 714 A HA 0.244 4.564 4.320 -0.000 0.000 0.249 714 A C -0.632 176.922 177.584 -0.050 0.000 1.084 714 A CA -0.172 51.819 52.037 -0.078 0.000 0.794 714 A CB 0.228 19.183 19.000 -0.075 0.000 1.034 714 A HN 0.879 nan 8.150 nan 0.000 0.491 715 E N 1.013 121.175 120.200 -0.062 0.000 2.343 715 E HA 0.537 4.887 4.350 -0.000 0.000 0.278 715 E C -1.793 174.786 176.600 -0.035 0.000 0.910 715 E CA -0.761 55.643 56.400 0.007 0.000 0.757 715 E CB 1.436 31.209 29.700 0.122 0.000 1.218 715 E HN 0.484 nan 8.360 nan 0.000 0.435 716 L N 2.953 124.236 121.223 0.099 0.000 2.282 716 L HA 0.452 4.791 4.340 -0.000 0.000 0.288 716 L C -1.235 175.848 176.870 0.354 0.000 1.033 716 L CA -0.748 54.178 54.840 0.143 0.000 0.807 716 L CB 0.522 42.673 42.059 0.154 0.000 1.209 716 L HN 0.625 nan 8.230 nan 0.000 0.423 717 W N 3.911 125.250 121.300 0.064 0.000 2.570 717 W HA 0.746 5.406 4.660 -0.000 0.000 0.337 717 W C -0.071 176.429 176.519 -0.030 0.000 1.067 717 W CA -1.151 56.209 57.345 0.025 0.000 1.229 717 W CB 1.567 31.056 29.460 0.048 0.000 1.355 717 W HN 0.522 nan 8.180 nan 0.000 0.555 718 A N 1.356 124.287 122.820 0.186 0.000 2.605 718 A HA 0.444 4.764 4.320 -0.000 0.000 0.294 718 A C -1.893 175.729 177.584 0.063 0.000 1.062 718 A CA -0.864 51.218 52.037 0.075 0.000 0.682 718 A CB 1.117 20.162 19.000 0.075 0.000 1.278 718 A HN 0.670 nan 8.150 nan 0.000 0.410 719 H N 2.283 121.307 119.070 -0.076 0.000 2.767 719 H HA 0.405 4.961 4.556 -0.000 0.000 0.316 719 H C -1.911 173.331 175.328 -0.143 0.000 1.059 719 H CA -1.167 54.818 56.048 -0.105 0.000 1.461 719 H CB 1.157 30.844 29.762 -0.124 0.000 1.475 719 H HN 0.280 nan 8.280 nan 0.000 0.531 720 P HA -0.270 nan 4.420 nan 0.000 0.219 720 P C 0.767 177.733 177.300 -0.558 0.000 1.153 720 P CA 1.833 64.425 63.100 -0.846 0.000 0.865 720 P CB 0.321 31.538 31.700 -0.805 0.000 0.788 721 E N -1.045 118.868 120.200 -0.478 0.000 1.998 721 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 721 E C 2.189 178.744 176.600 -0.075 0.000 0.994 721 E CA 2.024 58.331 56.400 -0.156 0.000 0.835 721 E CB -1.017 28.699 29.700 0.027 0.000 0.786 721 E HN 0.315 nan 8.360 nan 0.000 0.467 722 T N 0.027 114.585 114.554 0.007 0.000 2.778 722 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 722 T C 2.020 176.711 174.700 -0.014 0.000 1.050 722 T CA 1.442 63.541 62.100 -0.003 0.000 1.137 722 T CB -0.429 68.439 68.868 -0.001 0.000 0.860 722 T HN 0.221 nan 8.240 nan 0.000 0.468 723 A N 2.004 124.806 122.820 -0.030 0.000 1.859 723 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 723 A C 2.540 180.146 177.584 0.037 0.000 1.198 723 A CA 1.880 53.930 52.037 0.023 0.000 0.629 723 A CB -0.855 18.179 19.000 0.056 0.000 0.830 723 A HN 0.529 nan 8.150 nan 0.000 0.446 724 R N -0.789 119.702 120.500 -0.015 0.000 2.276 724 R HA 0.134 4.474 4.340 -0.000 0.000 0.203 724 R C 1.870 178.167 176.300 -0.005 0.000 1.017 724 R CA 0.732 56.836 56.100 0.006 0.000 1.010 724 R CB -0.204 30.074 30.300 -0.037 0.000 0.900 724 R HN 0.490 nan 8.270 nan 0.000 0.469 725 A N -0.020 122.791 122.820 -0.015 0.000 2.206 725 A HA -0.051 4.269 4.320 -0.000 0.000 0.211 725 A C 1.155 178.740 177.584 0.002 0.000 1.158 725 A CA 0.691 52.723 52.037 -0.009 0.000 0.761 725 A CB 0.099 19.091 19.000 -0.013 0.000 0.801 725 A HN 0.330 nan 8.150 nan 0.000 0.473 726 E N -0.980 119.226 120.200 0.011 0.000 2.887 726 E HA 0.465 4.815 4.350 -0.000 0.000 0.206 726 E C 0.001 176.618 176.600 0.028 0.000 0.983 726 E CA 0.272 56.684 56.400 0.019 0.000 1.141 726 E CB 0.208 29.919 29.700 0.018 0.000 1.061 726 E HN 0.687 nan 8.360 nan 0.000 0.468 727 A N 0.941 123.777 122.820 0.026 0.000 2.360 727 A HA -0.180 4.140 4.320 -0.000 0.000 0.289 727 A C -0.539 177.068 177.584 0.038 0.000 1.437 727 A CA 0.742 52.797 52.037 0.029 0.000 0.734 727 A CB -1.880 17.134 19.000 0.024 0.000 1.145 727 A HN 0.359 nan 8.150 nan 0.000 0.374 728 L N 1.061 122.314 121.223 0.051 0.000 2.489 728 L HA 0.342 4.682 4.340 -0.000 0.000 0.257 728 L C -2.154 174.752 176.870 0.061 0.000 1.215 728 L CA -1.825 53.048 54.840 0.055 0.000 0.915 728 L CB 1.697 43.798 42.059 0.071 0.000 1.146 728 L HN 0.264 nan 8.230 nan 0.000 0.494 729 P HA -0.046 nan 4.420 nan 0.000 0.272 729 P C 0.735 177.951 177.300 -0.140 0.000 1.243 729 P CA -0.031 63.062 63.100 -0.010 0.000 0.803 729 P CB 1.024 32.714 31.700 -0.016 0.000 0.974 730 E N 0.587 120.661 120.200 -0.210 0.000 1.997 730 E HA -0.082 4.268 4.350 -0.000 0.000 0.201 730 E C 0.985 177.443 176.600 -0.237 0.000 1.011 730 E CA 1.891 58.056 56.400 -0.393 0.000 0.847 730 E CB -1.082 28.475 29.700 -0.239 0.000 0.787 730 E HN 0.523 nan 8.360 nan 0.000 0.472 731 G N -0.326 108.392 108.800 -0.136 0.000 3.444 731 G HA2 0.595 4.555 3.960 -0.000 0.000 0.315 731 G HA3 0.595 4.555 3.960 -0.000 0.000 0.315 731 G C -1.080 173.784 174.900 -0.061 0.000 1.079 731 G CA 0.164 45.210 45.100 -0.089 0.000 1.500 731 G HN 0.395 nan 8.290 nan 0.000 0.518 732 A N 2.103 124.892 122.820 -0.053 0.000 2.422 732 A HA 0.723 5.043 4.320 -0.000 0.000 0.302 732 A C -0.150 177.424 177.584 -0.018 0.000 1.041 732 A CA -0.702 51.316 52.037 -0.032 0.000 0.708 732 A CB 1.620 20.604 19.000 -0.027 0.000 1.257 732 A HN 0.393 nan 8.150 nan 0.000 0.414 733 Q N 0.350 120.140 119.800 -0.016 0.000 2.373 733 Q HA 0.495 4.834 4.340 -0.000 0.000 0.255 733 Q C -0.798 175.202 176.000 0.000 0.000 0.980 733 Q CA 0.085 55.882 55.803 -0.010 0.000 0.882 733 Q CB 1.729 30.458 28.738 -0.016 0.000 1.249 733 Q HN 0.525 nan 8.270 nan 0.000 0.438 734 V N 0.882 120.800 119.914 0.007 0.000 2.752 734 V HA 0.338 4.458 4.120 -0.000 0.000 0.302 734 V C -0.925 175.180 176.094 0.018 0.000 1.133 734 V CA -0.996 61.316 62.300 0.019 0.000 0.919 734 V CB 2.030 33.876 31.823 0.038 0.000 1.026 734 V HN 0.857 nan 8.190 nan 0.000 0.429 735 A N 4.949 127.777 122.820 0.014 0.000 2.444 735 A HA 0.633 4.953 4.320 -0.000 0.000 0.273 735 A C -0.393 177.197 177.584 0.011 0.000 1.136 735 A CA 0.010 52.051 52.037 0.006 0.000 0.799 735 A CB 0.269 19.270 19.000 0.002 0.000 1.081 735 A HN 0.804 nan 8.150 nan 0.000 0.509 736 V N 3.669 123.578 119.914 -0.007 0.000 2.444 736 V HA 0.317 4.437 4.120 -0.000 0.000 0.294 736 V C 0.052 176.088 176.094 -0.096 0.000 1.022 736 V CA -0.500 61.781 62.300 -0.033 0.000 0.850 736 V CB 1.476 33.292 31.823 -0.012 0.000 0.992 736 V HN 1.031 nan 8.190 nan 0.000 0.426 737 E N 2.850 122.974 120.200 -0.128 0.000 2.231 737 E HA 0.726 5.076 4.350 -0.000 0.000 0.277 737 E C -0.728 175.735 176.600 -0.227 0.000 0.999 737 E CA -0.140 56.178 56.400 -0.137 0.000 0.827 737 E CB 1.571 31.218 29.700 -0.089 0.000 1.101 737 E HN 0.748 nan 8.360 nan 0.000 0.393 738 T N 4.052 118.502 114.554 -0.172 0.000 2.853 738 T HA 0.223 4.573 4.350 -0.000 0.000 0.311 738 T C -2.268 172.354 174.700 -0.129 0.000 1.307 738 T CA -1.147 60.848 62.100 -0.175 0.000 1.019 738 T CB 1.540 70.323 68.868 -0.141 0.000 1.264 738 T HN 0.297 nan 8.240 nan 0.000 0.497 739 P HA 0.021 nan 4.420 nan 0.000 0.222 739 P C 0.526 177.557 177.300 -0.449 0.000 1.142 739 P CA 1.052 63.965 63.100 -0.312 0.000 0.788 739 P CB 0.005 31.472 31.700 -0.388 0.000 0.767 740 F N -1.697 118.194 119.950 -0.098 0.000 2.695 740 F HA 0.420 4.947 4.527 -0.000 0.000 0.303 740 F C 1.509 177.269 175.800 -0.067 0.000 1.091 740 F CA 0.657 58.618 58.000 -0.065 0.000 1.300 740 F CB 0.219 39.201 39.000 -0.030 0.000 1.071 740 F HN -0.109 nan 8.300 nan 0.000 0.578 741 G N 0.579 109.398 108.800 0.031 0.000 2.347 741 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.477 741 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.477 741 G C -1.351 173.536 174.900 -0.022 0.000 1.349 741 G CA -1.263 43.837 45.100 -0.001 0.000 1.000 741 G HN 0.054 nan 8.290 nan 0.000 0.605 742 R N 0.598 121.083 120.500 -0.025 0.000 2.287 742 R HA 0.538 4.878 4.340 -0.000 0.000 0.327 742 R C -0.129 176.154 176.300 -0.029 0.000 1.109 742 R CA -0.318 55.760 56.100 -0.036 0.000 1.013 742 R CB 0.305 30.585 30.300 -0.034 0.000 1.126 742 R HN 0.456 nan 8.270 nan 0.000 0.503 743 V N 3.243 123.135 119.914 -0.037 0.000 2.863 743 V HA 0.314 4.434 4.120 -0.000 0.000 0.307 743 V C 0.255 176.331 176.094 -0.030 0.000 1.061 743 V CA -0.635 61.645 62.300 -0.035 0.000 1.024 743 V CB 1.812 33.610 31.823 -0.042 0.000 1.049 743 V HN 0.674 nan 8.190 nan 0.000 0.471 744 E N 1.521 121.703 120.200 -0.030 0.000 2.187 744 E HA 0.753 5.103 4.350 -0.000 0.000 0.268 744 E C -0.637 175.949 176.600 -0.023 0.000 0.896 744 E CA -0.552 55.835 56.400 -0.022 0.000 0.766 744 E CB 2.231 31.916 29.700 -0.024 0.000 1.142 744 E HN 0.851 nan 8.360 nan 0.000 0.408 745 A N 2.619 125.433 122.820 -0.010 0.000 2.587 745 A HA 0.594 4.914 4.320 -0.000 0.000 0.293 745 A C -0.914 176.675 177.584 0.007 0.000 1.087 745 A CA -1.010 51.024 52.037 -0.005 0.000 0.692 745 A CB 1.289 20.291 19.000 0.002 0.000 1.291 745 A HN 0.725 nan 8.150 nan 0.000 0.407 746 R N 0.601 121.107 120.500 0.010 0.000 2.404 746 R HA 0.676 5.016 4.340 -0.000 0.000 0.291 746 R C -0.378 175.952 176.300 0.051 0.000 1.025 746 R CA -0.475 55.634 56.100 0.015 0.000 0.991 746 R CB 1.325 31.625 30.300 -0.000 0.000 1.053 746 R HN 0.709 nan 8.270 nan 0.000 0.479 747 V N 3.113 123.045 119.914 0.031 0.000 2.743 747 V HA 0.566 4.686 4.120 -0.000 0.000 0.301 747 V C -0.753 175.348 176.094 0.012 0.000 1.057 747 V CA -0.481 61.852 62.300 0.054 0.000 1.006 747 V CB 1.702 33.538 31.823 0.022 0.000 1.024 747 V HN 0.650 nan 8.190 nan 0.000 0.473 748 V N 5.302 125.252 119.914 0.061 0.000 2.733 748 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 748 V C -0.709 175.352 176.094 -0.056 0.000 1.084 748 V CA -0.671 61.596 62.300 -0.055 0.000 0.905 748 V CB 1.773 33.560 31.823 -0.060 0.000 1.010 748 V HN 1.043 nan 8.190 nan 0.000 0.424 749 H N 4.549 123.553 119.070 -0.110 0.000 2.690 749 H HA 0.580 5.136 4.556 -0.000 0.000 0.314 749 H C -0.113 175.095 175.328 -0.199 0.000 1.069 749 H CA -0.382 55.583 56.048 -0.137 0.000 1.436 749 H CB 0.744 30.428 29.762 -0.130 0.000 1.462 749 H HN 0.400 nan 8.280 nan 0.000 0.511 750 R N 2.860 123.326 120.500 -0.057 0.000 2.510 750 R HA 0.061 4.400 4.340 -0.000 0.000 0.294 750 R C 0.068 176.364 176.300 -0.007 0.000 1.056 750 R CA -0.497 55.529 56.100 -0.123 0.000 0.918 750 R CB 1.705 31.825 30.300 -0.300 0.000 1.187 750 R HN 0.757 nan 8.270 nan 0.000 0.437 751 E N 1.249 121.462 120.200 0.022 0.000 2.274 751 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 751 E C 0.557 177.230 176.600 0.123 0.000 0.996 751 E CA 0.950 57.444 56.400 0.157 0.000 0.840 751 E CB 0.296 30.053 29.700 0.095 0.000 0.772 751 E HN 0.552 nan 8.360 nan 0.000 0.491 752 D N 0.391 120.833 120.400 0.070 0.000 2.338 752 D HA -0.049 4.591 4.640 -0.000 0.000 0.239 752 D C 0.155 176.521 176.300 0.110 0.000 1.095 752 D CA 0.187 54.242 54.000 0.091 0.000 0.888 752 D CB 0.122 40.995 40.800 0.122 0.000 0.899 752 D HN -0.097 nan 8.370 nan 0.000 0.525 753 V N 2.242 122.188 119.914 0.053 0.000 2.384 753 V HA 0.255 4.375 4.120 -0.000 0.000 0.287 753 V C -2.144 173.873 176.094 -0.128 0.000 1.020 753 V CA -1.904 60.364 62.300 -0.053 0.000 0.850 753 V CB 1.567 33.304 31.823 -0.143 0.000 0.987 753 V HN -0.044 nan 8.190 nan 0.000 0.436 754 P HA 0.019 nan 4.420 nan 0.000 0.263 754 P C -0.353 176.732 177.300 -0.358 0.000 1.175 754 P CA 0.112 63.062 63.100 -0.248 0.000 0.761 754 P CB 0.441 32.044 31.700 -0.161 0.000 0.794 755 K N 1.792 121.964 120.400 -0.380 0.000 2.436 755 K HA 0.302 4.622 4.320 -0.000 0.000 0.275 755 K C 1.503 177.894 176.600 -0.347 0.000 0.999 755 K CA 0.527 56.645 56.287 -0.281 0.000 0.980 755 K CB -0.268 32.090 32.500 -0.236 0.000 0.919 755 K HN 0.768 nan 8.250 nan 0.000 0.484 756 G N 1.568 110.251 108.800 -0.195 0.000 2.336 756 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.233 756 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.233 756 G C -0.218 174.654 174.900 -0.046 0.000 1.053 756 G CA -0.136 44.883 45.100 -0.134 0.000 0.625 756 G HN 0.804 nan 8.290 nan 0.000 0.511 757 H N -0.073 118.932 119.070 -0.109 0.000 2.511 757 H HA 0.620 5.176 4.556 -0.000 0.000 0.346 757 H C -0.432 174.777 175.328 -0.199 0.000 1.128 757 H CA -0.785 55.184 56.048 -0.131 0.000 1.342 757 H CB 1.303 31.022 29.762 -0.071 0.000 1.470 757 H HN 0.180 nan 8.280 nan 0.000 0.546 758 L N 3.117 124.278 121.223 -0.103 0.000 2.343 758 L HA 0.226 4.565 4.340 -0.000 0.000 0.278 758 L C -0.856 176.097 176.870 0.138 0.000 0.996 758 L CA -0.379 54.379 54.840 -0.137 0.000 0.831 758 L CB 0.601 42.407 42.059 -0.422 0.000 1.232 758 L HN 0.622 nan 8.230 nan 0.000 0.413 759 Y N 3.802 124.171 120.300 0.114 0.000 2.404 759 Y HA 0.354 4.904 4.550 -0.000 0.000 0.344 759 Y C -0.015 175.838 175.900 -0.078 0.000 0.995 759 Y CA -0.962 57.178 58.100 0.066 0.000 1.201 759 Y CB 1.471 39.958 38.460 0.045 0.000 1.151 759 Y HN 0.381 nan 8.280 nan 0.000 0.517 760 L N 3.452 124.735 121.223 0.101 0.000 2.289 760 L HA 0.277 4.617 4.340 -0.000 0.000 0.285 760 L C 0.277 177.003 176.870 -0.241 0.000 1.049 760 L CA -0.149 54.679 54.840 -0.020 0.000 0.804 760 L CB 1.642 43.763 42.059 0.104 0.000 1.195 760 L HN 0.440 nan 8.230 nan 0.000 0.428 761 S N 4.204 119.724 115.700 -0.300 0.000 2.560 761 S HA 0.384 4.854 4.470 -0.000 0.000 0.323 761 S C 0.204 174.657 174.600 -0.244 0.000 1.191 761 S CA -0.210 57.789 58.200 -0.335 0.000 1.231 761 S CB -0.645 62.395 63.200 -0.268 0.000 1.224 761 S HN 0.779 nan 8.310 nan 0.000 0.545 762 A N 5.986 128.637 122.820 -0.282 0.000 2.415 762 A HA 0.423 4.743 4.320 -0.000 0.000 0.309 762 A C 0.569 178.020 177.584 -0.221 0.000 1.356 762 A CA -0.447 51.437 52.037 -0.256 0.000 0.998 762 A CB -0.125 18.687 19.000 -0.314 0.000 1.145 762 A HN 0.911 nan 8.150 nan 0.000 0.545 763 L N 3.134 124.251 121.223 -0.177 0.000 2.737 763 L HA 0.328 4.668 4.340 -0.000 0.000 0.236 763 L C 1.099 177.876 176.870 -0.155 0.000 1.219 763 L CA 0.097 54.851 54.840 -0.144 0.000 1.021 763 L CB -0.309 41.685 42.059 -0.108 0.000 1.291 763 L HN 0.757 nan 8.230 nan 0.000 0.470 764 G N -0.417 108.262 108.800 -0.203 0.000 3.022 764 G HA2 0.408 4.367 3.960 -0.000 0.000 0.284 764 G HA3 0.408 4.367 3.960 -0.000 0.000 0.284 764 G C -2.354 172.363 174.900 -0.306 0.000 1.375 764 G CA -0.464 44.499 45.100 -0.229 0.000 0.902 764 G HN -0.170 nan 8.290 nan 0.000 0.538 765 P HA 0.139 nan 4.420 nan 0.000 0.249 765 P C 0.865 177.958 177.300 -0.345 0.000 1.241 765 P CA 0.604 63.453 63.100 -0.418 0.000 0.781 765 P CB 0.542 31.910 31.700 -0.554 0.000 1.088 766 A N -0.229 122.382 122.820 -0.349 0.000 2.359 766 A HA 0.483 4.803 4.320 -0.000 0.000 0.240 766 A C 1.098 178.490 177.584 -0.321 0.000 1.306 766 A CA -0.226 51.581 52.037 -0.382 0.000 0.898 766 A CB -0.677 17.782 19.000 -0.902 0.000 0.956 766 A HN 0.278 nan 8.150 nan 0.000 0.497 767 A N -1.382 121.290 122.820 -0.247 0.000 2.316 767 A HA 0.550 4.870 4.320 -0.000 0.000 0.284 767 A C 1.331 178.812 177.584 -0.172 0.000 1.115 767 A CA 0.232 52.121 52.037 -0.246 0.000 0.812 767 A CB -0.072 18.790 19.000 -0.230 0.000 1.064 767 A HN 1.838 nan 8.150 nan 0.000 0.489 768 G N 0.302 108.958 108.800 -0.240 0.000 2.137 768 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.237 768 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.237 768 G C -0.187 174.747 174.900 0.056 0.000 1.002 768 G CA 0.379 45.441 45.100 -0.064 0.000 0.702 768 G HN 0.737 nan 8.290 nan 0.000 0.515 769 L N -0.511 120.695 121.223 -0.030 0.000 2.334 769 L HA 0.732 5.072 4.340 -0.000 0.000 0.270 769 L C 0.764 177.723 176.870 0.148 0.000 1.018 769 L CA -1.235 53.652 54.840 0.078 0.000 0.811 769 L CB 1.452 43.555 42.059 0.074 0.000 1.271 769 L HN 0.126 nan 8.230 nan 0.000 0.443 770 R N 1.642 122.243 120.500 0.169 0.000 2.343 770 R HA 0.697 5.037 4.340 -0.000 0.000 0.320 770 R C -1.455 174.934 176.300 0.148 0.000 0.956 770 R CA -0.665 55.545 56.100 0.184 0.000 0.836 770 R CB 1.747 32.129 30.300 0.137 0.000 1.151 770 R HN 0.275 nan 8.270 nan 0.000 0.450 771 V N 1.359 121.383 119.914 0.183 0.000 2.841 771 V HA 0.226 4.346 4.120 -0.000 0.000 0.310 771 V C -0.143 176.055 176.094 0.173 0.000 1.090 771 V CA -1.233 61.156 62.300 0.148 0.000 0.930 771 V CB 2.341 34.254 31.823 0.150 0.000 1.014 771 V HN 0.637 nan 8.190 nan 0.000 0.425 772 E N 2.228 122.486 120.200 0.096 0.000 2.376 772 E HA 0.548 4.898 4.350 -0.000 0.000 0.266 772 E C 0.289 176.910 176.600 0.035 0.000 1.009 772 E CA 0.425 56.887 56.400 0.104 0.000 0.902 772 E CB 1.645 31.370 29.700 0.041 0.000 0.972 772 E HN 1.024 nan 8.360 nan 0.000 0.439 773 G N 1.970 110.826 108.800 0.094 0.000 2.576 773 G HA2 0.526 4.486 3.960 -0.000 0.000 0.290 773 G HA3 0.526 4.486 3.960 -0.000 0.000 0.290 773 G C -1.002 173.947 174.900 0.082 0.000 1.442 773 G CA -0.765 44.218 45.100 -0.195 0.000 0.792 773 G HN 0.420 nan 8.290 nan 0.000 0.491 774 R N -1.501 118.978 120.500 -0.035 0.000 2.846 774 R HA 0.783 5.123 4.340 -0.000 0.000 0.263 774 R C -1.953 174.413 176.300 0.109 0.000 1.080 774 R CA -0.749 55.443 56.100 0.154 0.000 0.961 774 R CB 1.364 31.720 30.300 0.095 0.000 1.231 774 R HN 0.588 nan 8.270 nan 0.000 0.465 775 V N 2.871 122.874 119.914 0.149 0.000 2.349 775 V HA 0.302 4.422 4.120 -0.000 0.000 0.284 775 V C 0.243 176.375 176.094 0.063 0.000 1.014 775 V CA -0.844 61.521 62.300 0.109 0.000 0.826 775 V CB 1.095 33.007 31.823 0.149 0.000 1.009 775 V HN 0.555 nan 8.190 nan 0.000 0.431 776 L N 4.893 126.137 121.223 0.034 0.000 2.453 776 L HA 0.807 5.147 4.340 -0.000 0.000 0.261 776 L C -0.027 176.856 176.870 0.022 0.000 1.179 776 L CA -0.381 54.473 54.840 0.023 0.000 0.813 776 L CB 0.348 42.413 42.059 0.009 0.000 1.110 776 L HN 0.324 nan 8.230 nan 0.000 0.466 777 V N 0.000 119.925 119.914 0.018 0.000 2.409 777 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 777 V CA 0.000 62.309 62.300 0.015 0.000 1.235 777 V CB 0.000 31.833 31.823 0.017 0.000 1.184 777 V HN 0.000 nan 8.190 nan 0.000 0.556