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 2bpl_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGIVGAIAQR DVAEILLEGL RRLEYRGYDS AGLAVVDAEG HMTRLRRLGK DATA SEQUENCE VQMLAQAAEE HPLHGGTGIA HTRWATHGEP SEVNAHPHVS EHIVVVHNGI DATA SEQUENCE IENHEPLREE LKARGYTFVS ETDTEVIAHL VNWELKQGGT LREAVLRAIP DATA SEQUENCE QLRGAYGTVI MDSRHPDTLL AARSGSPLVI GLGMGENFIA SDQLALLPVT DATA SEQUENCE RRFIFLEEGD IAEITRRSVN IFDKTGAEVK RQDIESNLQY DAGDKGIYRH DATA SEQUENCE YMQKEIYEQP NAIKNTLTGR ISHGQVDLSE LGPNADELLS KVEHIQILAC DATA SEQUENCE GTSYNSGMVS RYWFESLAGI PCDVEIASEF RYRKSAVRRN SLMITLSQSG DATA SEQUENCE ETADTLAGLR LSKELGYLGS LAICNVPGSS LVRESDLALM TNAGTEIGVA DATA SEQUENCE STKAFTTQLT VLLMLVAKLS KLKGLDASIE HDIVHGLQAL PSRIEQMLSQ DATA SEQUENCE DKRIEALAED FSDKHHALFL GRGDQYPIAL EGALKLKEIS YIHAEAYAAG DATA SEQUENCE ELKHGPLALI DADMPVIVVA PNNELLEKLK SNIEEVRARG GQLYVFADQD DATA SEQUENCE AGFVSSDNMH IIEMPHVEEV IAPIFYTVPL QLLAYHVALI KGTDVDQPRN DATA SEQUENCE LAKSVTVE 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.823 174.990 -0.278 0.000 1.270 1 C CA 0.000 58.888 59.018 -0.216 0.000 1.963 1 C CB 0.000 27.580 27.740 -0.266 0.000 2.134 2 G N 0.049 108.595 108.800 -0.423 0.000 2.617 2 G HA2 0.780 4.741 3.960 0.000 0.000 0.306 2 G HA3 0.780 4.741 3.960 0.000 0.000 0.306 2 G C -1.593 173.155 174.900 -0.253 0.000 1.360 2 G CA -0.370 44.564 45.100 -0.276 0.000 0.983 2 G HN 0.720 nan 8.290 nan 0.000 0.496 3 I N 1.379 121.913 120.570 -0.059 0.000 2.509 3 I HA 0.535 4.705 4.170 0.000 0.000 0.293 3 I C -0.593 175.561 176.117 0.062 0.000 1.020 3 I CA -1.018 60.321 61.300 0.065 0.000 1.088 3 I CB 2.489 40.567 38.000 0.131 0.000 1.267 3 I HN 0.159 nan 8.210 nan 0.000 0.430 4 V N 3.893 123.861 119.914 0.090 0.000 2.841 4 V HA 0.903 5.023 4.120 0.000 0.000 0.310 4 V C -0.017 176.155 176.094 0.129 0.000 1.090 4 V CA -0.546 61.815 62.300 0.101 0.000 0.930 4 V CB 1.901 33.773 31.823 0.081 0.000 1.014 4 V HN 0.906 nan 8.190 nan 0.000 0.425 5 G N 1.240 110.134 108.800 0.158 0.000 2.690 5 G HA2 0.930 4.890 3.960 0.000 0.000 0.293 5 G HA3 0.930 4.890 3.960 0.000 0.000 0.293 5 G C -1.396 173.631 174.900 0.211 0.000 1.399 5 G CA -0.222 44.972 45.100 0.157 0.000 0.890 5 G HN 1.358 nan 8.290 nan 0.000 0.485 6 A N 0.214 123.121 122.820 0.145 0.000 2.566 6 A HA 0.747 5.067 4.320 0.000 0.000 0.297 6 A C -1.589 175.966 177.584 -0.047 0.000 1.059 6 A CA -0.459 51.636 52.037 0.096 0.000 0.691 6 A CB 1.480 20.666 19.000 0.310 0.000 1.282 6 A HN 1.456 nan 8.150 nan 0.000 0.401 7 I N 1.715 122.153 120.570 -0.220 0.000 2.497 7 I HA 0.728 4.898 4.170 0.000 0.000 0.284 7 I C -0.304 175.684 176.117 -0.215 0.000 1.060 7 I CA -0.156 61.052 61.300 -0.154 0.000 1.071 7 I CB 1.195 39.143 38.000 -0.088 0.000 1.216 7 I HN 1.138 nan 8.210 nan 0.000 0.442 8 A N 5.515 128.263 122.820 -0.120 0.000 2.533 8 A HA 0.459 4.779 4.320 0.000 0.000 0.293 8 A C -0.638 176.923 177.584 -0.037 0.000 1.228 8 A CA -0.543 51.432 52.037 -0.103 0.000 0.689 8 A CB 1.719 20.674 19.000 -0.075 0.000 1.303 8 A HN 0.651 nan 8.150 nan 0.000 0.444 9 Q N -0.195 119.594 119.800 -0.018 0.000 2.175 9 Q HA 0.212 4.552 4.340 0.000 0.000 0.225 9 Q C -0.142 175.868 176.000 0.017 0.000 0.837 9 Q CA -0.145 55.658 55.803 -0.000 0.000 1.032 9 Q CB 0.038 28.774 28.738 -0.004 0.000 1.137 9 Q HN 0.639 nan 8.270 nan 0.000 0.483 10 R N -1.217 119.302 120.500 0.031 0.000 2.836 10 R HA 0.466 4.806 4.340 0.000 0.000 0.269 10 R C -1.149 175.189 176.300 0.064 0.000 1.010 10 R CA -0.938 55.190 56.100 0.047 0.000 0.930 10 R CB 0.577 30.913 30.300 0.059 0.000 1.218 10 R HN -0.162 nan 8.270 nan 0.000 0.473 11 D N 1.222 121.667 120.400 0.076 0.000 2.472 11 D HA 0.041 4.681 4.640 0.000 0.000 0.237 11 D C 0.993 177.355 176.300 0.103 0.000 1.141 11 D CA 0.140 54.200 54.000 0.099 0.000 0.875 11 D CB 1.681 42.560 40.800 0.131 0.000 1.192 11 D HN 0.489 nan 8.370 nan 0.000 0.450 12 V N -0.255 119.721 119.914 0.103 0.000 3.528 12 V HA 0.299 4.420 4.120 0.000 0.000 0.294 12 V C 1.687 177.844 176.094 0.105 0.000 1.404 12 V CA 0.509 62.885 62.300 0.126 0.000 1.065 12 V CB 0.171 32.080 31.823 0.144 0.000 0.904 12 V HN 0.473 nan 8.190 nan 0.000 0.435 13 A N 1.082 123.950 122.820 0.080 0.000 1.892 13 A HA -0.170 4.150 4.320 0.000 0.000 0.218 13 A C 2.160 179.777 177.584 0.055 0.000 1.188 13 A CA 2.180 54.252 52.037 0.058 0.000 0.631 13 A CB -0.463 18.556 19.000 0.033 0.000 0.822 13 A HN 0.553 nan 8.150 nan 0.000 0.447 14 E N -0.185 120.048 120.200 0.056 0.000 2.077 14 E HA -0.152 4.198 4.350 0.000 0.000 0.193 14 E C 1.999 178.623 176.600 0.041 0.000 0.989 14 E CA 1.150 57.576 56.400 0.044 0.000 0.800 14 E CB -0.434 29.291 29.700 0.041 0.000 0.746 14 E HN 0.747 nan 8.360 nan 0.000 0.452 15 I N 1.028 121.631 120.570 0.056 0.000 2.226 15 I HA -0.282 3.888 4.170 0.000 0.000 0.245 15 I C 2.506 178.646 176.117 0.038 0.000 1.100 15 I CA 0.904 62.225 61.300 0.034 0.000 1.374 15 I CB -0.272 37.773 38.000 0.075 0.000 1.057 15 I HN 0.036 nan 8.210 nan 0.000 0.413 16 L N -0.016 121.251 121.223 0.073 0.000 2.017 16 L HA -0.239 4.101 4.340 0.000 0.000 0.208 16 L C 2.537 179.436 176.870 0.048 0.000 1.073 16 L CA 1.433 56.316 54.840 0.072 0.000 0.745 16 L CB -0.545 41.564 42.059 0.083 0.000 0.894 16 L HN 0.267 nan 8.230 nan 0.000 0.432 17 L N -0.463 120.785 121.223 0.042 0.000 2.046 17 L HA -0.217 4.123 4.340 0.000 0.000 0.208 17 L C 2.630 179.517 176.870 0.028 0.000 1.077 17 L CA 1.090 55.950 54.840 0.033 0.000 0.747 17 L CB -0.402 41.675 42.059 0.030 0.000 0.896 17 L HN 0.259 nan 8.230 nan 0.000 0.432 18 E N 0.527 120.740 120.200 0.022 0.000 2.106 18 E HA -0.137 4.213 4.350 0.000 0.000 0.192 18 E C 2.091 178.701 176.600 0.017 0.000 0.984 18 E CA 1.340 57.750 56.400 0.017 0.000 0.806 18 E CB -0.351 29.352 29.700 0.006 0.000 0.750 18 E HN 0.320 nan 8.360 nan 0.000 0.458 19 G N 0.934 109.742 108.800 0.012 0.000 2.421 19 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 19 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 19 G C 1.600 176.513 174.900 0.022 0.000 1.171 19 G CA 0.971 46.079 45.100 0.013 0.000 0.775 19 G HN 0.309 nan 8.290 nan 0.000 0.543 20 L N -0.300 120.936 121.223 0.022 0.000 2.046 20 L HA -0.081 4.260 4.340 0.000 0.000 0.208 20 L C 3.169 180.056 176.870 0.028 0.000 1.077 20 L CA 1.120 55.968 54.840 0.013 0.000 0.747 20 L CB -0.446 41.623 42.059 0.017 0.000 0.896 20 L HN 0.180 nan 8.230 nan 0.000 0.432 21 R N 0.087 120.610 120.500 0.037 0.000 2.117 21 R HA -0.179 4.161 4.340 0.000 0.000 0.243 21 R C 2.295 178.636 176.300 0.069 0.000 1.143 21 R CA 1.474 57.604 56.100 0.051 0.000 0.968 21 R CB -0.225 30.103 30.300 0.047 0.000 0.863 21 R HN 0.354 nan 8.270 nan 0.000 0.444 22 R N -0.022 120.515 120.500 0.061 0.000 2.275 22 R HA 0.085 4.425 4.340 0.000 0.000 0.199 22 R C 1.416 177.803 176.300 0.146 0.000 0.989 22 R CA 0.496 56.641 56.100 0.074 0.000 1.016 22 R CB 0.282 30.610 30.300 0.048 0.000 0.918 22 R HN 0.186 nan 8.270 nan 0.000 0.473 23 L N -0.401 120.884 121.223 0.105 0.000 2.693 23 L HA 0.172 4.512 4.340 0.000 0.000 0.235 23 L C 1.819 178.660 176.870 -0.048 0.000 1.127 23 L CA 0.007 54.877 54.840 0.050 0.000 0.914 23 L CB 0.130 42.158 42.059 -0.051 0.000 1.193 23 L HN 0.162 nan 8.230 nan 0.000 0.502 24 E N 1.323 121.568 120.200 0.075 0.000 2.160 24 E HA -0.266 4.084 4.350 0.000 0.000 0.195 24 E C 2.063 178.753 176.600 0.149 0.000 0.991 24 E CA 1.901 58.350 56.400 0.081 0.000 0.810 24 E CB -0.089 29.670 29.700 0.099 0.000 0.742 24 E HN 0.677 nan 8.360 nan 0.000 0.466 25 Y N -0.658 119.658 120.300 0.026 0.000 2.384 25 Y HA -0.080 4.470 4.550 0.000 0.000 0.289 25 Y C 1.748 177.689 175.900 0.068 0.000 1.152 25 Y CA 0.562 58.692 58.100 0.050 0.000 1.258 25 Y CB -0.132 38.276 38.460 -0.086 0.000 0.979 25 Y HN -0.117 nan 8.280 nan 0.000 0.549 26 R N 1.554 121.644 120.500 -0.684 0.000 2.236 26 R HA 0.295 4.635 4.340 0.000 0.000 0.208 26 R C 0.320 176.471 176.300 -0.247 0.000 1.036 26 R CA 0.661 56.453 56.100 -0.512 0.000 1.001 26 R CB -0.038 29.925 30.300 -0.562 0.000 0.896 26 R HN 0.518 nan 8.270 nan 0.000 0.464 27 G N 0.289 108.958 108.800 -0.218 0.000 2.174 27 G HA2 0.275 4.235 3.960 0.000 0.000 0.312 27 G HA3 0.275 4.235 3.960 0.000 0.000 0.312 27 G C -0.936 173.873 174.900 -0.151 0.000 1.663 27 G CA -0.702 44.238 45.100 -0.268 0.000 0.920 27 G HN 0.197 nan 8.290 nan 0.000 0.664 28 Y N -0.457 119.773 120.300 -0.116 0.000 2.768 28 Y HA 0.424 4.974 4.550 0.000 0.000 0.249 28 Y C 0.563 176.439 175.900 -0.041 0.000 1.146 28 Y CA -0.809 57.245 58.100 -0.077 0.000 1.171 28 Y CB 0.479 38.891 38.460 -0.079 0.000 1.249 28 Y HN 0.322 nan 8.280 nan 0.000 0.567 29 D N 1.212 121.589 120.400 -0.040 0.000 2.213 29 D HA 0.038 4.678 4.640 0.000 0.000 0.205 29 D C 0.791 177.128 176.300 0.062 0.000 0.961 29 D CA 1.508 55.524 54.000 0.026 0.000 0.853 29 D CB 0.501 41.320 40.800 0.031 0.000 0.967 29 D HN 0.444 nan 8.370 nan 0.000 0.496 30 S N -1.127 114.611 115.700 0.063 0.000 2.643 30 S HA 0.769 5.239 4.470 0.000 0.000 0.270 30 S C -1.433 173.207 174.600 0.067 0.000 1.166 30 S CA -0.732 57.512 58.200 0.073 0.000 0.815 30 S CB 2.607 65.860 63.200 0.090 0.000 1.139 30 S HN 0.148 nan 8.310 nan 0.000 0.472 31 A N -0.452 122.411 122.820 0.072 0.000 2.589 31 A HA 0.961 5.282 4.320 0.000 0.000 0.296 31 A C -0.231 177.400 177.584 0.078 0.000 1.062 31 A CA -0.283 51.797 52.037 0.070 0.000 0.686 31 A CB 1.018 20.046 19.000 0.047 0.000 1.282 31 A HN 2.110 nan 8.150 nan 0.000 0.404 32 G N -0.376 108.481 108.800 0.096 0.000 2.684 32 G HA2 0.813 4.773 3.960 0.000 0.000 0.290 32 G HA3 0.813 4.773 3.960 0.000 0.000 0.290 32 G C -1.189 173.758 174.900 0.078 0.000 1.425 32 G CA -0.034 45.110 45.100 0.073 0.000 0.822 32 G HN 1.905 nan 8.290 nan 0.000 0.482 33 L N -1.896 119.358 121.223 0.051 0.000 2.424 33 L HA 1.004 5.345 4.340 0.000 0.000 0.258 33 L C -0.672 176.213 176.870 0.026 0.000 0.995 33 L CA -1.288 53.582 54.840 0.051 0.000 0.821 33 L CB 2.172 44.259 42.059 0.047 0.000 1.383 33 L HN 1.055 nan 8.230 nan 0.000 0.410 34 A N 2.129 124.965 122.820 0.026 0.000 2.393 34 A HA 0.854 5.174 4.320 0.000 0.000 0.306 34 A C -1.213 176.374 177.584 0.004 0.000 1.050 34 A CA -0.591 51.447 52.037 0.000 0.000 0.724 34 A CB 2.058 21.054 19.000 -0.008 0.000 1.248 34 A HN 0.558 nan 8.150 nan 0.000 0.424 35 V N 2.413 122.316 119.914 -0.019 0.000 2.656 35 V HA 0.576 4.697 4.120 0.000 0.000 0.307 35 V C -0.536 175.535 176.094 -0.038 0.000 1.051 35 V CA -0.501 61.794 62.300 -0.009 0.000 0.893 35 V CB 1.926 33.748 31.823 -0.002 0.000 0.999 35 V HN 0.734 nan 8.190 nan 0.000 0.426 36 V N 3.668 123.573 119.914 -0.014 0.000 2.555 36 V HA 0.487 4.608 4.120 0.000 0.000 0.302 36 V C -0.405 175.694 176.094 0.009 0.000 1.038 36 V CA -0.802 61.484 62.300 -0.023 0.000 0.887 36 V CB 2.011 33.833 31.823 -0.002 0.000 0.991 36 V HN 1.052 nan 8.190 nan 0.000 0.434 37 D N 3.605 124.019 120.400 0.024 0.000 2.451 37 D HA 0.442 5.082 4.640 0.000 0.000 0.259 37 D C 1.213 177.540 176.300 0.045 0.000 1.201 37 D CA -0.014 54.019 54.000 0.055 0.000 1.028 37 D CB 1.123 41.978 40.800 0.092 0.000 1.095 37 D HN 0.496 nan 8.370 nan 0.000 0.539 38 A N -0.035 122.810 122.820 0.041 0.000 1.940 38 A HA -0.202 4.118 4.320 0.000 0.000 0.219 38 A C 1.594 179.194 177.584 0.027 0.000 1.176 38 A CA 1.512 53.567 52.037 0.030 0.000 0.631 38 A CB -0.788 18.226 19.000 0.024 0.000 0.814 38 A HN 0.661 nan 8.150 nan 0.000 0.446 39 E N -0.643 119.579 120.200 0.036 0.000 2.463 39 E HA 0.229 4.579 4.350 0.000 0.000 0.191 39 E C 1.040 177.657 176.600 0.028 0.000 1.083 39 E CA 0.662 57.078 56.400 0.027 0.000 0.872 39 E CB -0.860 28.858 29.700 0.030 0.000 0.966 39 E HN 1.028 nan 8.360 nan 0.000 0.491 40 G N 1.744 110.564 108.800 0.033 0.000 2.141 40 G HA2 -0.314 3.646 3.960 0.000 0.000 0.242 40 G HA3 -0.314 3.646 3.960 0.000 0.000 0.242 40 G C -0.068 174.883 174.900 0.085 0.000 0.982 40 G CA 0.371 45.483 45.100 0.020 0.000 0.662 40 G HN 0.648 nan 8.290 nan 0.000 0.527 41 H N 0.378 119.450 119.070 0.003 0.000 2.668 41 H HA 0.543 5.099 4.556 0.000 0.000 0.303 41 H C 0.043 175.383 175.328 0.020 0.000 1.074 41 H CA -0.647 55.408 56.048 0.012 0.000 1.406 41 H CB 0.598 30.371 29.762 0.019 0.000 1.442 41 H HN 0.187 nan 8.280 nan 0.000 0.482 42 M N 5.166 124.614 119.600 -0.253 0.000 2.180 42 M HA 0.198 4.678 4.480 0.000 0.000 0.350 42 M C -1.137 174.897 176.300 -0.443 0.000 1.125 42 M CA -0.229 54.909 55.300 -0.270 0.000 1.031 42 M CB 1.161 33.717 32.600 -0.074 0.000 1.623 42 M HN 0.577 nan 8.290 nan 0.000 0.451 43 T N 5.936 120.285 114.554 -0.341 0.000 2.779 43 T HA 0.532 4.883 4.350 0.000 0.000 0.280 43 T C -0.413 174.226 174.700 -0.102 0.000 0.987 43 T CA -0.571 61.398 62.100 -0.218 0.000 0.966 43 T CB 1.495 70.254 68.868 -0.182 0.000 0.933 43 T HN 0.705 nan 8.240 nan 0.000 0.442 44 R N 2.807 123.268 120.500 -0.065 0.000 2.637 44 R HA 0.776 5.116 4.340 0.000 0.000 0.291 44 R C -1.847 174.438 176.300 -0.024 0.000 0.963 44 R CA -0.827 55.249 56.100 -0.039 0.000 0.901 44 R CB 0.918 31.193 30.300 -0.041 0.000 1.160 44 R HN 0.407 nan 8.270 nan 0.000 0.457 45 L N 3.032 124.249 121.223 -0.010 0.000 2.455 45 L HA 0.569 4.909 4.340 0.000 0.000 0.264 45 L C -1.358 175.519 176.870 0.011 0.000 0.968 45 L CA -0.303 54.538 54.840 0.003 0.000 0.827 45 L CB 2.125 44.191 42.059 0.013 0.000 1.317 45 L HN 0.703 nan 8.230 nan 0.000 0.407 46 R N 4.258 124.767 120.500 0.014 0.000 2.604 46 R HA 0.743 5.083 4.340 0.000 0.000 0.281 46 R C -1.230 175.089 176.300 0.031 0.000 1.020 46 R CA -1.069 55.043 56.100 0.021 0.000 0.899 46 R CB 2.514 32.816 30.300 0.002 0.000 1.205 46 R HN 0.359 nan 8.270 nan 0.000 0.450 47 R N 1.992 122.517 120.500 0.042 0.000 2.604 47 R HA 0.338 4.678 4.340 0.000 0.000 0.281 47 R C -0.982 175.349 176.300 0.052 0.000 1.020 47 R CA -1.287 54.839 56.100 0.044 0.000 0.899 47 R CB 1.914 32.239 30.300 0.041 0.000 1.205 47 R HN 0.335 nan 8.270 nan 0.000 0.450 48 L N 1.680 122.934 121.223 0.051 0.000 2.485 48 L HA 0.362 4.702 4.340 0.000 0.000 0.275 48 L C 1.079 177.981 176.870 0.054 0.000 1.207 48 L CA 1.895 56.769 54.840 0.055 0.000 0.855 48 L CB 0.364 42.454 42.059 0.051 0.000 1.114 48 L HN 0.922 nan 8.230 nan 0.000 0.485 49 G N 3.745 112.583 108.800 0.062 0.000 2.548 49 G HA2 -0.146 3.814 3.960 0.000 0.000 0.208 49 G HA3 -0.146 3.814 3.960 0.000 0.000 0.208 49 G C -0.604 174.343 174.900 0.078 0.000 1.308 49 G CA -0.529 44.612 45.100 0.068 0.000 0.924 49 G HN 0.672 nan 8.290 nan 0.000 0.540 50 K N -0.343 120.103 120.400 0.077 0.000 2.230 50 K HA 0.350 4.670 4.320 0.000 0.000 0.253 50 K C 1.888 178.523 176.600 0.057 0.000 1.008 50 K CA 0.084 56.418 56.287 0.078 0.000 0.910 50 K CB 0.960 33.488 32.500 0.047 0.000 0.994 50 K HN 0.403 nan 8.250 nan 0.000 0.495 51 V N 1.520 121.467 119.914 0.054 0.000 2.453 51 V HA -0.302 3.818 4.120 0.000 0.000 0.252 51 V C 2.669 178.783 176.094 0.034 0.000 1.068 51 V CA 2.237 64.562 62.300 0.042 0.000 1.070 51 V CB -0.871 30.976 31.823 0.039 0.000 0.664 51 V HN 0.840 nan 8.190 nan 0.000 0.461 52 Q N -0.811 119.007 119.800 0.030 0.000 2.297 52 Q HA -0.229 4.111 4.340 0.000 0.000 0.208 52 Q C 2.063 178.077 176.000 0.023 0.000 0.981 52 Q CA 1.649 57.465 55.803 0.023 0.000 0.876 52 Q CB -0.143 28.605 28.738 0.017 0.000 0.921 52 Q HN 0.489 nan 8.270 nan 0.000 0.446 53 M N 0.131 119.748 119.600 0.029 0.000 2.236 53 M HA -0.044 4.436 4.480 0.000 0.000 0.266 53 M C 2.137 178.455 176.300 0.030 0.000 1.070 53 M CA 0.735 56.053 55.300 0.030 0.000 1.137 53 M CB -0.715 31.907 32.600 0.035 0.000 1.378 53 M HN 0.334 nan 8.290 nan 0.000 0.426 54 L N 0.892 122.135 121.223 0.033 0.000 2.093 54 L HA -0.004 4.336 4.340 0.000 0.000 0.208 54 L C 2.483 179.368 176.870 0.026 0.000 1.085 54 L CA 1.813 56.672 54.840 0.032 0.000 0.755 54 L CB -0.773 41.309 42.059 0.037 0.000 0.904 54 L HN 0.207 nan 8.230 nan 0.000 0.435 55 A N -1.125 121.709 122.820 0.023 0.000 1.898 55 A HA -0.265 4.056 4.320 0.000 0.000 0.216 55 A C 2.300 179.889 177.584 0.008 0.000 1.181 55 A CA 1.718 53.765 52.037 0.016 0.000 0.620 55 A CB -0.677 18.333 19.000 0.017 0.000 0.819 55 A HN 0.621 nan 8.150 nan 0.000 0.442 56 Q N -0.685 119.119 119.800 0.008 0.000 2.112 56 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 56 Q C 2.269 178.266 176.000 -0.005 0.000 0.987 56 Q CA 1.775 57.578 55.803 -0.000 0.000 0.858 56 Q CB -0.332 28.410 28.738 0.007 0.000 0.905 56 Q HN 0.666 nan 8.270 nan 0.000 0.420 57 A N 0.339 123.167 122.820 0.014 0.000 1.898 57 A HA -0.089 4.231 4.320 0.000 0.000 0.216 57 A C 2.220 179.820 177.584 0.027 0.000 1.181 57 A CA 1.543 53.600 52.037 0.032 0.000 0.620 57 A CB -0.871 18.156 19.000 0.046 0.000 0.819 57 A HN 0.510 nan 8.150 nan 0.000 0.442 58 A N -0.521 122.307 122.820 0.014 0.000 1.972 58 A HA -0.170 4.150 4.320 0.000 0.000 0.219 58 A C 2.003 179.571 177.584 -0.026 0.000 1.169 58 A CA 1.761 53.798 52.037 0.001 0.000 0.635 58 A CB -0.459 18.542 19.000 0.003 0.000 0.810 58 A HN 0.672 nan 8.150 nan 0.000 0.446 59 E N -0.161 120.019 120.200 -0.034 0.000 2.107 59 E HA -0.181 4.169 4.350 0.000 0.000 0.191 59 E C 1.881 178.413 176.600 -0.112 0.000 0.982 59 E CA 1.101 57.469 56.400 -0.053 0.000 0.809 59 E CB -0.076 29.600 29.700 -0.040 0.000 0.756 59 E HN 0.760 nan 8.360 nan 0.000 0.459 60 E N -0.611 119.483 120.200 -0.176 0.000 2.051 60 E HA -0.139 4.211 4.350 0.000 0.000 0.192 60 E C 0.091 176.303 176.600 -0.648 0.000 0.991 60 E CA 0.989 57.136 56.400 -0.422 0.000 0.799 60 E CB -0.039 29.385 29.700 -0.459 0.000 0.748 60 E HN 0.395 nan 8.360 nan 0.000 0.449 61 H N -0.073 118.986 119.070 -0.019 0.000 2.953 61 H HA 0.275 4.831 4.556 0.000 0.000 0.290 61 H C -2.530 172.753 175.328 -0.076 0.000 1.113 61 H CA -2.046 53.982 56.048 -0.033 0.000 1.454 61 H CB 1.057 30.808 29.762 -0.019 0.000 1.525 61 H HN 0.017 nan 8.280 nan 0.000 0.505 62 P HA 0.097 nan 4.420 nan 0.000 0.274 62 P C -0.746 176.361 177.300 -0.321 0.000 1.231 62 P CA -0.592 62.407 63.100 -0.170 0.000 0.790 62 P CB 1.039 32.627 31.700 -0.187 0.000 0.951 63 L N 3.373 124.439 121.223 -0.261 0.000 2.296 63 L HA 0.399 4.739 4.340 0.000 0.000 0.286 63 L C 0.285 177.043 176.870 -0.188 0.000 1.023 63 L CA -0.231 54.488 54.840 -0.202 0.000 0.812 63 L CB 0.674 42.686 42.059 -0.079 0.000 1.223 63 L HN 0.378 nan 8.230 nan 0.000 0.421 64 H N 1.828 120.911 119.070 0.022 0.000 2.492 64 H HA 0.887 5.444 4.556 0.000 0.000 0.345 64 H C 0.129 175.467 175.328 0.017 0.000 1.136 64 H CA -0.894 55.171 56.048 0.028 0.000 1.202 64 H CB 2.166 31.953 29.762 0.042 0.000 1.524 64 H HN 0.704 nan 8.280 nan 0.000 0.506 65 G N -0.158 108.732 108.800 0.149 0.000 2.301 65 G HA2 0.204 4.164 3.960 0.000 0.000 0.290 65 G HA3 0.204 4.164 3.960 0.000 0.000 0.290 65 G C 0.429 175.370 174.900 0.067 0.000 1.669 65 G CA -0.210 44.940 45.100 0.082 0.000 0.945 65 G HN 0.725 nan 8.290 nan 0.000 0.710 66 G N -0.507 108.321 108.800 0.047 0.000 3.042 66 G HA2 0.422 4.382 3.960 0.000 0.000 0.212 66 G HA3 0.422 4.382 3.960 0.000 0.000 0.212 66 G C 0.496 175.411 174.900 0.024 0.000 1.166 66 G CA 1.155 46.276 45.100 0.036 0.000 0.767 66 G HN 0.889 nan 8.290 nan 0.000 0.546 67 T N -0.061 114.510 114.554 0.028 0.000 2.824 67 T HA 0.678 5.028 4.350 0.000 0.000 0.282 67 T C -0.042 174.680 174.700 0.037 0.000 0.993 67 T CA -0.050 62.065 62.100 0.025 0.000 0.967 67 T CB 2.112 70.993 68.868 0.022 0.000 0.960 67 T HN 0.376 nan 8.240 nan 0.000 0.441 68 G N 1.616 110.446 108.800 0.051 0.000 2.576 68 G HA2 0.701 4.661 3.960 0.000 0.000 0.290 68 G HA3 0.701 4.661 3.960 0.000 0.000 0.290 68 G C -1.702 173.244 174.900 0.076 0.000 1.442 68 G CA -0.877 44.257 45.100 0.056 0.000 0.792 68 G HN 0.956 nan 8.290 nan 0.000 0.491 69 I N -2.681 117.935 120.570 0.076 0.000 2.969 69 I HA 0.979 5.149 4.170 0.000 0.000 0.307 69 I C -0.285 175.893 176.117 0.101 0.000 1.149 69 I CA -1.431 59.928 61.300 0.097 0.000 1.008 69 I CB 2.222 40.282 38.000 0.099 0.000 1.232 69 I HN 1.180 nan 8.210 nan 0.000 0.435 70 A N 2.285 125.180 122.820 0.125 0.000 2.610 70 A HA 0.780 5.100 4.320 0.000 0.000 0.291 70 A C -1.821 175.875 177.584 0.187 0.000 1.086 70 A CA -0.436 51.681 52.037 0.133 0.000 0.677 70 A CB 1.816 20.873 19.000 0.094 0.000 1.278 70 A HN 0.994 nan 8.150 nan 0.000 0.414 71 H N -0.184 118.904 119.070 0.030 0.000 3.038 71 H HA 0.651 5.208 4.556 0.000 0.000 0.362 71 H C -1.811 173.490 175.328 -0.044 0.000 1.167 71 H CA 0.199 56.234 56.048 -0.022 0.000 1.197 71 H CB 2.332 32.065 29.762 -0.048 0.000 1.840 71 H HN 0.787 nan 8.280 nan 0.000 0.540 72 T N 3.769 118.067 114.554 -0.427 0.000 2.848 72 T HA 0.492 4.842 4.350 0.000 0.000 0.285 72 T C -0.987 173.449 174.700 -0.439 0.000 0.995 72 T CA -0.869 61.075 62.100 -0.261 0.000 0.970 72 T CB 0.641 69.431 68.868 -0.131 0.000 0.976 72 T HN 0.713 nan 8.240 nan 0.000 0.441 73 R N 2.966 123.363 120.500 -0.172 0.000 2.750 73 R HA 0.537 4.877 4.340 0.000 0.000 0.281 73 R C -1.370 174.938 176.300 0.013 0.000 0.972 73 R CA -1.054 54.988 56.100 -0.096 0.000 0.912 73 R CB 1.093 31.438 30.300 0.075 0.000 1.187 73 R HN 0.509 nan 8.270 nan 0.000 0.464 74 W N 3.393 124.569 121.300 -0.206 0.000 2.358 74 W HA 0.490 5.150 4.660 0.000 0.000 0.307 74 W C -1.024 175.418 176.519 -0.128 0.000 1.203 74 W CA -1.388 55.819 57.345 -0.229 0.000 1.279 74 W CB 0.706 30.012 29.460 -0.256 0.000 1.264 74 W HN 0.775 nan 8.180 nan 0.000 0.474 75 A N 4.915 127.918 122.820 0.305 0.000 2.350 75 A HA 0.432 4.753 4.320 0.000 0.000 0.293 75 A C 0.763 178.343 177.584 -0.008 0.000 1.231 75 A CA 0.104 52.223 52.037 0.137 0.000 0.883 75 A CB -0.002 19.080 19.000 0.136 0.000 1.133 75 A HN 0.658 nan 8.150 nan 0.000 0.533 76 T N -0.354 114.045 114.554 -0.258 0.000 3.132 76 T HA 0.323 4.673 4.350 0.000 0.000 0.274 76 T C -0.098 174.233 174.700 -0.614 0.000 1.011 76 T CA 0.070 61.861 62.100 -0.515 0.000 0.899 76 T CB -0.438 67.952 68.868 -0.797 0.000 1.089 76 T HN 0.692 nan 8.240 nan 0.000 0.543 77 H N 0.510 119.534 119.070 -0.076 0.000 2.679 77 H HA 0.631 5.187 4.556 0.000 0.000 0.360 77 H C 0.820 176.133 175.328 -0.024 0.000 1.105 77 H CA -0.207 55.807 56.048 -0.057 0.000 1.196 77 H CB 1.201 30.928 29.762 -0.059 0.000 1.636 77 H HN 0.409 nan 8.280 nan 0.000 0.531 78 G N 1.554 110.402 108.800 0.081 0.000 2.992 78 G HA2 -0.295 3.665 3.960 0.000 0.000 0.340 78 G HA3 -0.295 3.665 3.960 0.000 0.000 0.340 78 G C 0.049 174.980 174.900 0.052 0.000 1.539 78 G CA 0.009 45.143 45.100 0.057 0.000 0.997 78 G HN 0.970 nan 8.290 nan 0.000 0.561 79 E N 1.149 121.374 120.200 0.041 0.000 2.414 79 E HA 0.303 4.653 4.350 0.000 0.000 0.263 79 E C -1.629 175.004 176.600 0.055 0.000 1.000 79 E CA -0.900 55.524 56.400 0.040 0.000 0.914 79 E CB 0.317 30.036 29.700 0.031 0.000 0.948 79 E HN 0.331 nan 8.360 nan 0.000 0.444 80 P HA 0.026 nan 4.420 nan 0.000 0.268 80 P C -1.184 176.158 177.300 0.068 0.000 1.205 80 P CA -0.158 62.987 63.100 0.074 0.000 0.771 80 P CB 1.218 32.961 31.700 0.072 0.000 0.858 81 S N 0.420 116.168 115.700 0.080 0.000 2.566 81 S HA 0.140 4.610 4.470 0.000 0.000 0.273 81 S C 0.799 175.448 174.600 0.081 0.000 1.157 81 S CA -0.669 57.574 58.200 0.072 0.000 0.938 81 S CB 1.310 64.551 63.200 0.068 0.000 1.087 81 S HN 0.504 nan 8.310 nan 0.000 0.474 82 E N 2.632 122.871 120.200 0.066 0.000 2.209 82 E HA -0.116 4.234 4.350 0.000 0.000 0.196 82 E C 1.391 178.026 176.600 0.059 0.000 0.993 82 E CA 1.636 58.072 56.400 0.059 0.000 0.819 82 E CB -0.088 29.639 29.700 0.044 0.000 0.745 82 E HN 0.642 nan 8.360 nan 0.000 0.477 83 V N 1.024 120.979 119.914 0.069 0.000 2.594 83 V HA -0.251 3.869 4.120 0.000 0.000 0.253 83 V C 1.407 177.586 176.094 0.141 0.000 1.069 83 V CA 2.077 64.427 62.300 0.083 0.000 1.082 83 V CB -0.559 31.313 31.823 0.082 0.000 0.680 83 V HN 0.323 nan 8.190 nan 0.000 0.469 84 N N -0.286 118.511 118.700 0.161 0.000 2.299 84 N HA 0.313 5.053 4.740 0.000 0.000 0.187 84 N C 0.711 176.428 175.510 0.346 0.000 1.099 84 N CA 0.278 53.487 53.050 0.264 0.000 0.867 84 N CB 0.174 38.777 38.487 0.193 0.000 0.974 84 N HN 0.455 nan 8.380 nan 0.000 0.477 85 A N 1.064 123.997 122.820 0.188 0.000 2.483 85 A HA 0.071 4.391 4.320 0.000 0.000 0.238 85 A C -0.159 177.461 177.584 0.061 0.000 1.070 85 A CA 0.027 52.177 52.037 0.188 0.000 0.770 85 A CB 0.040 19.102 19.000 0.104 0.000 1.008 85 A HN 0.301 nan 8.150 nan 0.000 0.497 86 H N 1.396 120.424 119.070 -0.071 0.000 2.546 86 H HA 0.276 4.832 4.556 0.000 0.000 0.365 86 H C -2.175 173.087 175.328 -0.109 0.000 1.220 86 H CA -1.713 54.239 56.048 -0.160 0.000 1.386 86 H CB 0.382 29.996 29.762 -0.247 0.000 1.510 86 H HN 0.462 nan 8.280 nan 0.000 0.591 87 P HA 0.096 nan 4.420 nan 0.000 0.276 87 P C -0.516 176.627 177.300 -0.261 0.000 1.252 87 P CA -0.065 63.015 63.100 -0.033 0.000 0.802 87 P CB 0.942 32.643 31.700 0.003 0.000 1.035 88 H N -1.042 117.942 119.070 -0.143 0.000 2.567 88 H HA 0.499 5.055 4.556 0.000 0.000 0.345 88 H C -0.287 174.943 175.328 -0.164 0.000 1.169 88 H CA -0.691 55.254 56.048 -0.172 0.000 1.227 88 H CB 1.954 31.562 29.762 -0.257 0.000 1.607 88 H HN 0.200 nan 8.280 nan 0.000 0.534 89 V N -0.654 119.231 119.914 -0.049 0.000 2.960 89 V HA 0.602 4.723 4.120 0.000 0.000 0.315 89 V C -0.092 175.897 176.094 -0.173 0.000 1.087 89 V CA -0.749 61.493 62.300 -0.096 0.000 0.982 89 V CB 2.069 33.856 31.823 -0.060 0.000 1.039 89 V HN 0.658 nan 8.190 nan 0.000 0.437 90 S N 1.575 117.184 115.700 -0.151 0.000 2.279 90 S HA 0.434 4.904 4.470 0.000 0.000 0.176 90 S C 0.167 174.676 174.600 -0.151 0.000 1.554 90 S CA 0.224 58.380 58.200 -0.073 0.000 1.242 90 S CB -0.592 62.585 63.200 -0.039 0.000 1.163 90 S HN 1.174 nan 8.310 nan 0.000 0.449 91 E N 2.082 122.234 120.200 -0.080 0.000 3.317 91 E HA -0.359 3.991 4.350 0.000 0.000 0.436 91 E C 0.528 177.057 176.600 -0.119 0.000 1.571 91 E CA 2.171 58.516 56.400 -0.091 0.000 1.219 91 E CB -1.249 28.402 29.700 -0.082 0.000 1.424 91 E HN 0.920 nan 8.360 nan 0.000 0.457 92 H N 0.798 119.895 119.070 0.044 0.000 2.529 92 H HA 0.171 4.727 4.556 0.000 0.000 0.277 92 H C 0.984 176.329 175.328 0.028 0.000 0.999 92 H CA 0.446 56.512 56.048 0.029 0.000 1.256 92 H CB 0.097 29.875 29.762 0.026 0.000 1.402 92 H HN 0.107 nan 8.280 nan 0.000 0.566 93 I N 3.045 123.496 120.570 -0.200 0.000 2.395 93 I HA 0.133 4.303 4.170 0.000 0.000 0.289 93 I C 0.012 176.100 176.117 -0.049 0.000 1.023 93 I CA -0.666 60.603 61.300 -0.051 0.000 1.350 93 I CB 1.589 39.539 38.000 -0.084 0.000 1.409 93 I HN -0.094 nan 8.210 nan 0.000 0.507 94 V N 7.033 126.944 119.914 -0.006 0.000 2.638 94 V HA 0.607 4.727 4.120 0.000 0.000 0.306 94 V C -0.222 175.878 176.094 0.009 0.000 1.052 94 V CA -0.685 61.610 62.300 -0.009 0.000 0.885 94 V CB 2.488 34.314 31.823 0.005 0.000 0.999 94 V HN 0.439 nan 8.190 nan 0.000 0.424 95 V N 4.378 124.294 119.914 0.004 0.000 2.760 95 V HA 0.721 4.841 4.120 0.000 0.000 0.309 95 V C -0.463 175.666 176.094 0.058 0.000 1.077 95 V CA -0.699 61.616 62.300 0.026 0.000 0.910 95 V CB 2.325 34.137 31.823 -0.018 0.000 1.008 95 V HN 0.832 nan 8.190 nan 0.000 0.424 96 V N 1.016 121.007 119.914 0.128 0.000 2.864 96 V HA 0.835 4.955 4.120 0.000 0.000 0.314 96 V C -0.711 175.558 176.094 0.291 0.000 1.073 96 V CA -0.375 62.056 62.300 0.217 0.000 0.956 96 V CB 1.902 33.870 31.823 0.241 0.000 1.023 96 V HN 1.161 nan 8.190 nan 0.000 0.435 97 H N 1.596 120.805 119.070 0.232 0.000 3.016 97 H HA 0.618 5.174 4.556 0.000 0.000 0.362 97 H C -1.963 173.548 175.328 0.305 0.000 1.233 97 H CA -0.801 55.385 56.048 0.230 0.000 1.124 97 H CB 2.355 32.203 29.762 0.144 0.000 1.850 97 H HN 0.692 nan 8.280 nan 0.000 0.549 98 N N -0.097 118.597 118.700 -0.011 0.000 2.292 98 N HA 0.566 5.307 4.740 0.000 0.000 0.303 98 N C 0.362 175.941 175.510 0.116 0.000 1.140 98 N CA 1.095 54.104 53.050 -0.068 0.000 0.788 98 N CB 2.019 40.535 38.487 0.048 0.000 1.361 98 N HN 1.140 nan 8.380 nan 0.000 0.489 99 G N 0.281 109.137 108.800 0.094 0.000 2.545 99 G HA2 -0.154 3.807 3.960 0.000 0.000 0.216 99 G HA3 -0.154 3.807 3.960 0.000 0.000 0.216 99 G C -1.074 174.027 174.900 0.335 0.000 1.314 99 G CA -0.240 44.987 45.100 0.211 0.000 0.906 99 G HN 0.692 nan 8.290 nan 0.000 0.563 100 I N -0.584 120.169 120.570 0.306 0.000 2.686 100 I HA 0.640 4.810 4.170 0.000 0.000 0.295 100 I C -0.716 175.485 176.117 0.140 0.000 1.114 100 I CA -1.431 60.006 61.300 0.228 0.000 1.038 100 I CB 1.638 39.724 38.000 0.143 0.000 1.238 100 I HN 0.531 nan 8.210 nan 0.000 0.420 101 I N 6.345 126.917 120.570 0.005 0.000 2.307 101 I HA 0.233 4.404 4.170 0.000 0.000 0.287 101 I C 0.898 177.012 176.117 -0.004 0.000 1.054 101 I CA -0.054 61.194 61.300 -0.087 0.000 1.218 101 I CB 0.669 38.542 38.000 -0.212 0.000 1.398 101 I HN 0.712 nan 8.210 nan 0.000 0.475 102 E N 4.377 124.591 120.200 0.022 0.000 2.150 102 E HA -0.144 4.207 4.350 0.000 0.000 0.193 102 E C 1.118 177.729 176.600 0.018 0.000 0.985 102 E CA 1.108 57.527 56.400 0.031 0.000 0.814 102 E CB 0.047 29.773 29.700 0.043 0.000 0.752 102 E HN 0.726 nan 8.360 nan 0.000 0.466 103 N N -1.235 117.463 118.700 -0.003 0.000 2.451 103 N HA 0.005 4.745 4.740 0.000 0.000 0.264 103 N C 1.103 176.586 175.510 -0.044 0.000 1.167 103 N CA -0.080 52.957 53.050 -0.021 0.000 0.898 103 N CB -0.009 38.458 38.487 -0.033 0.000 1.176 103 N HN 0.124 nan 8.380 nan 0.000 0.507 104 H N 0.817 119.814 119.070 -0.123 0.000 2.321 104 H HA -0.234 4.323 4.556 0.000 0.000 0.295 104 H C 1.978 177.202 175.328 -0.174 0.000 1.102 104 H CA 2.141 58.093 56.048 -0.161 0.000 1.266 104 H CB 0.241 29.901 29.762 -0.169 0.000 1.363 104 H HN 0.304 nan 8.280 nan 0.000 0.492 105 E N -0.071 120.160 120.200 0.052 0.000 2.046 105 E HA -0.042 4.309 4.350 0.000 0.000 0.190 105 E C -0.603 175.924 176.600 -0.122 0.000 0.982 105 E CA 1.154 57.556 56.400 0.004 0.000 0.800 105 E CB -0.895 28.825 29.700 0.034 0.000 0.756 105 E HN 0.526 nan 8.360 nan 0.000 0.449 106 P HA -0.101 nan 4.420 nan 0.000 0.217 106 P C 1.388 178.603 177.300 -0.142 0.000 1.150 106 P CA 1.088 64.124 63.100 -0.107 0.000 0.832 106 P CB -0.055 31.599 31.700 -0.075 0.000 0.787 107 L N -0.445 120.674 121.223 -0.173 0.000 2.056 107 L HA -0.099 4.241 4.340 0.000 0.000 0.207 107 L C 2.949 179.696 176.870 -0.206 0.000 1.078 107 L CA 1.473 56.204 54.840 -0.181 0.000 0.749 107 L CB -0.754 41.192 42.059 -0.189 0.000 0.901 107 L HN -0.073 nan 8.230 nan 0.000 0.433 108 R N 0.175 120.466 120.500 -0.349 0.000 2.096 108 R HA -0.173 4.167 4.340 0.000 0.000 0.235 108 R C 2.061 178.175 176.300 -0.310 0.000 1.127 108 R CA 1.312 57.114 56.100 -0.496 0.000 0.968 108 R CB -0.173 29.554 30.300 -0.956 0.000 0.861 108 R HN 0.179 nan 8.270 nan 0.000 0.440 109 E N 0.914 120.978 120.200 -0.228 0.000 2.077 109 E HA -0.220 4.130 4.350 0.000 0.000 0.193 109 E C 1.771 178.313 176.600 -0.097 0.000 0.989 109 E CA 1.548 57.865 56.400 -0.140 0.000 0.800 109 E CB -0.253 29.378 29.700 -0.114 0.000 0.746 109 E HN 0.605 nan 8.360 nan 0.000 0.452 110 E N 0.296 120.426 120.200 -0.116 0.000 2.077 110 E HA -0.131 4.219 4.350 0.000 0.000 0.193 110 E C 2.184 178.698 176.600 -0.143 0.000 0.989 110 E CA 0.700 57.019 56.400 -0.136 0.000 0.800 110 E CB -0.024 29.582 29.700 -0.156 0.000 0.746 110 E HN 0.157 nan 8.360 nan 0.000 0.452 111 L N 0.189 121.369 121.223 -0.072 0.000 2.109 111 L HA -0.111 4.229 4.340 0.000 0.000 0.207 111 L C 2.530 179.509 176.870 0.183 0.000 1.086 111 L CA 0.876 55.733 54.840 0.028 0.000 0.760 111 L CB -0.163 41.949 42.059 0.087 0.000 0.910 111 L HN 0.016 nan 8.230 nan 0.000 0.437 112 K N 0.388 120.903 120.400 0.191 0.000 2.147 112 K HA -0.100 4.220 4.320 0.000 0.000 0.205 112 K C 1.867 178.488 176.600 0.035 0.000 1.049 112 K CA 1.293 57.678 56.287 0.163 0.000 0.936 112 K CB -0.112 32.440 32.500 0.086 0.000 0.722 112 K HN 0.263 nan 8.250 nan 0.000 0.446 113 A N -0.211 122.597 122.820 -0.021 0.000 2.238 113 A HA 0.057 4.377 4.320 0.000 0.000 0.208 113 A C 1.496 179.030 177.584 -0.083 0.000 1.177 113 A CA 0.460 52.465 52.037 -0.054 0.000 0.804 113 A CB -0.075 18.885 19.000 -0.068 0.000 0.823 113 A HN 0.178 nan 8.150 nan 0.000 0.482 114 R N -1.473 118.966 120.500 -0.101 0.000 2.334 114 R HA 0.250 4.590 4.340 0.000 0.000 0.216 114 R C 1.138 177.335 176.300 -0.170 0.000 0.905 114 R CA 0.620 56.628 56.100 -0.154 0.000 1.064 114 R CB 0.284 30.409 30.300 -0.291 0.000 1.046 114 R HN 0.588 nan 8.270 nan 0.000 0.508 115 G N -0.196 108.512 108.800 -0.152 0.000 2.179 115 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 115 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 115 G C -0.347 174.343 174.900 -0.351 0.000 0.990 115 G CA -0.544 44.420 45.100 -0.226 0.000 0.646 115 G HN 0.208 nan 8.290 nan 0.000 0.517 116 Y N 1.689 121.860 120.300 -0.215 0.000 2.359 116 Y HA 0.507 5.057 4.550 0.000 0.000 0.330 116 Y C 1.184 176.859 175.900 -0.375 0.000 1.143 116 Y CA 0.516 58.335 58.100 -0.467 0.000 1.318 116 Y CB 1.139 39.099 38.460 -0.834 0.000 1.234 116 Y HN 0.028 nan 8.280 nan 0.000 0.522 117 T N 5.170 119.577 114.554 -0.245 0.000 2.749 117 T HA 0.368 4.719 4.350 0.000 0.000 0.287 117 T C -0.760 173.902 174.700 -0.063 0.000 0.970 117 T CA -0.549 61.516 62.100 -0.058 0.000 0.980 117 T CB -0.086 68.772 68.868 -0.016 0.000 0.924 117 T HN 0.205 nan 8.240 nan 0.000 0.456 118 F N 2.668 122.672 119.950 0.090 0.000 2.411 118 F HA 0.303 4.830 4.527 0.000 0.000 0.355 118 F C 1.369 177.225 175.800 0.092 0.000 1.117 118 F CA -0.739 57.345 58.000 0.140 0.000 1.139 118 F CB 1.170 40.215 39.000 0.076 0.000 1.120 118 F HN 0.419 nan 8.300 nan 0.000 0.493 119 V N -0.494 119.554 119.914 0.222 0.000 3.644 119 V HA 0.257 4.377 4.120 0.000 0.000 0.267 119 V C 0.407 176.588 176.094 0.144 0.000 1.277 119 V CA 0.639 63.030 62.300 0.151 0.000 1.096 119 V CB -0.551 31.341 31.823 0.115 0.000 0.828 119 V HN 0.607 nan 8.190 nan 0.000 0.446 120 S N 0.390 116.184 115.700 0.157 0.000 2.732 120 S HA 0.643 5.114 4.470 0.000 0.000 0.293 120 S C -0.415 174.227 174.600 0.069 0.000 1.159 120 S CA -0.333 57.928 58.200 0.102 0.000 0.847 120 S CB 1.888 65.149 63.200 0.102 0.000 1.169 120 S HN 0.223 nan 8.310 nan 0.000 0.501 121 E N 0.978 121.173 120.200 -0.008 0.000 2.496 121 E HA 0.229 4.579 4.350 0.000 0.000 0.202 121 E C 0.199 176.711 176.600 -0.147 0.000 1.021 121 E CA -0.295 56.064 56.400 -0.067 0.000 1.015 121 E CB 0.044 29.664 29.700 -0.133 0.000 1.102 121 E HN 0.740 nan 8.360 nan 0.000 0.452 122 T N -2.207 112.257 114.554 -0.150 0.000 2.904 122 T HA 0.113 4.463 4.350 0.000 0.000 0.290 122 T C 0.642 175.276 174.700 -0.110 0.000 1.018 122 T CA -0.717 61.255 62.100 -0.213 0.000 1.075 122 T CB 1.291 69.924 68.868 -0.392 0.000 0.986 122 T HN -0.218 nan 8.240 nan 0.000 0.523 123 D N 1.754 122.093 120.400 -0.102 0.000 2.149 123 D HA -0.087 4.553 4.640 0.000 0.000 0.198 123 D C 2.204 178.268 176.300 -0.393 0.000 0.990 123 D CA 1.579 55.481 54.000 -0.163 0.000 0.839 123 D CB -0.714 39.886 40.800 -0.333 0.000 0.948 123 D HN 0.762 nan 8.370 nan 0.000 0.460 124 T N 0.422 114.712 114.554 -0.440 0.000 2.759 124 T HA -0.193 4.157 4.350 0.000 0.000 0.269 124 T C 1.793 176.264 174.700 -0.381 0.000 1.042 124 T CA 1.386 63.245 62.100 -0.402 0.000 1.140 124 T CB -0.147 68.449 68.868 -0.454 0.000 0.864 124 T HN 0.318 nan 8.240 nan 0.000 0.455 125 E N 0.417 120.345 120.200 -0.454 0.000 2.152 125 E HA -0.073 4.277 4.350 0.000 0.000 0.192 125 E C 2.178 178.593 176.600 -0.308 0.000 0.983 125 E CA 0.412 56.558 56.400 -0.423 0.000 0.818 125 E CB -0.017 29.468 29.700 -0.358 0.000 0.758 125 E HN 0.259 nan 8.360 nan 0.000 0.467 126 V N 1.442 121.288 119.914 -0.113 0.000 2.287 126 V HA -0.302 3.818 4.120 0.000 0.000 0.248 126 V C 2.334 178.321 176.094 -0.179 0.000 1.053 126 V CA 1.773 64.035 62.300 -0.062 0.000 1.027 126 V CB -0.391 31.288 31.823 -0.241 0.000 0.646 126 V HN 0.354 nan 8.190 nan 0.000 0.447 127 I N 0.256 120.681 120.570 -0.242 0.000 2.179 127 I HA -0.257 3.914 4.170 0.000 0.000 0.242 127 I C 2.694 178.701 176.117 -0.183 0.000 1.088 127 I CA 1.536 62.709 61.300 -0.211 0.000 1.357 127 I CB -0.699 37.166 38.000 -0.225 0.000 1.051 127 I HN 0.302 nan 8.210 nan 0.000 0.409 128 A N 0.449 123.124 122.820 -0.241 0.000 1.865 128 A HA -0.259 4.061 4.320 0.000 0.000 0.217 128 A C 2.214 179.640 177.584 -0.263 0.000 1.191 128 A CA 1.798 53.685 52.037 -0.250 0.000 0.623 128 A CB -0.990 17.817 19.000 -0.322 0.000 0.826 128 A HN 0.420 nan 8.150 nan 0.000 0.444 129 H N -1.156 117.700 119.070 -0.356 0.000 2.387 129 H HA -0.078 4.478 4.556 0.000 0.000 0.299 129 H C 2.024 177.026 175.328 -0.544 0.000 1.090 129 H CA 1.638 57.300 56.048 -0.644 0.000 1.332 129 H CB -0.512 28.664 29.762 -0.977 0.000 1.386 129 H HN 0.418 nan 8.280 nan 0.000 0.516 130 L N 0.354 121.467 121.223 -0.184 0.000 2.027 130 L HA -0.092 4.249 4.340 0.000 0.000 0.206 130 L C 2.329 179.223 176.870 0.041 0.000 1.074 130 L CA 1.070 55.871 54.840 -0.065 0.000 0.745 130 L CB -0.631 41.386 42.059 -0.070 0.000 0.898 130 L HN -0.039 nan 8.230 nan 0.000 0.433 131 V N 0.436 120.347 119.914 -0.005 0.000 2.358 131 V HA -0.271 3.849 4.120 0.000 0.000 0.246 131 V C 2.535 178.668 176.094 0.063 0.000 1.047 131 V CA 1.800 64.119 62.300 0.031 0.000 1.035 131 V CB -1.054 30.777 31.823 0.012 0.000 0.658 131 V HN 0.628 nan 8.190 nan 0.000 0.452 132 N N -0.218 118.508 118.700 0.044 0.000 2.036 132 N HA -0.281 4.459 4.740 0.000 0.000 0.195 132 N C 1.959 177.599 175.510 0.215 0.000 1.037 132 N CA 2.355 55.475 53.050 0.116 0.000 0.855 132 N CB -0.305 38.239 38.487 0.095 0.000 1.033 132 N HN 0.753 nan 8.380 nan 0.000 0.423 133 W N 1.735 123.066 121.300 0.052 0.000 2.335 133 W HA -0.147 4.513 4.660 0.000 0.000 0.311 133 W C 1.610 178.178 176.519 0.082 0.000 1.213 133 W CA 1.121 58.544 57.345 0.131 0.000 1.274 133 W CB -0.164 29.336 29.460 0.067 0.000 1.148 133 W HN 0.100 nan 8.180 nan 0.000 0.498 134 E N 0.786 120.990 120.200 0.005 0.000 2.110 134 E HA -0.204 4.146 4.350 0.000 0.000 0.193 134 E C 2.294 178.812 176.600 -0.137 0.000 0.988 134 E CA 1.091 57.433 56.400 -0.097 0.000 0.804 134 E CB -0.906 28.824 29.700 0.050 0.000 0.745 134 E HN 0.383 nan 8.360 nan 0.000 0.458 135 L N 0.712 121.905 121.223 -0.049 0.000 2.156 135 L HA -0.135 4.205 4.340 0.000 0.000 0.208 135 L C 2.103 178.924 176.870 -0.082 0.000 1.095 135 L CA 1.070 55.890 54.840 -0.032 0.000 0.770 135 L CB -0.075 42.018 42.059 0.057 0.000 0.914 135 L HN 0.076 nan 8.230 nan 0.000 0.439 136 K N -0.629 119.698 120.400 -0.121 0.000 2.280 136 K HA -0.179 4.142 4.320 0.000 0.000 0.202 136 K C 1.832 178.261 176.600 -0.285 0.000 1.047 136 K CA 0.813 56.990 56.287 -0.183 0.000 0.942 136 K CB 0.097 32.468 32.500 -0.214 0.000 0.739 136 K HN 0.334 nan 8.250 nan 0.000 0.457 137 Q N -0.326 119.248 119.800 -0.376 0.000 2.369 137 Q HA 0.067 4.407 4.340 0.000 0.000 0.206 137 Q C 0.775 176.669 176.000 -0.177 0.000 0.963 137 Q CA 0.734 56.346 55.803 -0.318 0.000 0.894 137 Q CB 0.546 29.084 28.738 -0.334 0.000 0.965 137 Q HN 0.377 nan 8.270 nan 0.000 0.475 138 G N -1.544 107.171 108.800 -0.142 0.000 2.465 138 G HA2 0.408 4.368 3.960 0.000 0.000 0.681 138 G HA3 0.408 4.368 3.960 0.000 0.000 0.681 138 G C -0.193 174.656 174.900 -0.086 0.000 1.340 138 G CA -0.300 44.740 45.100 -0.099 0.000 0.884 138 G HN 0.643 nan 8.290 nan 0.000 0.650 139 G N -1.070 107.684 108.800 -0.077 0.000 2.566 139 G HA2 0.513 4.473 3.960 0.000 0.000 0.599 139 G HA3 0.513 4.473 3.960 0.000 0.000 0.599 139 G C 0.398 175.250 174.900 -0.081 0.000 1.292 139 G CA 0.507 45.562 45.100 -0.075 0.000 0.922 139 G HN 2.763 nan 8.290 nan 0.000 0.514 140 T N -1.423 113.079 114.554 -0.087 0.000 2.788 140 T HA 0.484 4.834 4.350 0.000 0.000 0.287 140 T C 1.769 176.424 174.700 -0.075 0.000 1.007 140 T CA 0.477 62.520 62.100 -0.095 0.000 1.005 140 T CB 1.270 70.076 68.868 -0.103 0.000 1.012 140 T HN 1.720 nan 8.240 nan 0.000 0.530 141 L N 0.466 121.652 121.223 -0.062 0.000 2.042 141 L HA 0.009 4.350 4.340 0.000 0.000 0.210 141 L C 2.897 179.747 176.870 -0.034 0.000 1.076 141 L CA 1.832 56.657 54.840 -0.025 0.000 0.749 141 L CB -0.969 41.093 42.059 0.005 0.000 0.893 141 L HN 0.854 nan 8.230 nan 0.000 0.432 142 R N -0.314 120.146 120.500 -0.067 0.000 2.083 142 R HA -0.220 4.120 4.340 0.000 0.000 0.237 142 R C 2.148 178.374 176.300 -0.124 0.000 1.137 142 R CA 2.111 58.145 56.100 -0.111 0.000 0.951 142 R CB -0.298 29.877 30.300 -0.208 0.000 0.851 142 R HN 0.553 nan 8.270 nan 0.000 0.434 143 E N -0.304 119.822 120.200 -0.123 0.000 2.118 143 E HA -0.207 4.143 4.350 0.000 0.000 0.195 143 E C 1.887 178.453 176.600 -0.057 0.000 0.992 143 E CA 1.297 57.639 56.400 -0.098 0.000 0.804 143 E CB -0.102 29.544 29.700 -0.091 0.000 0.741 143 E HN 0.503 nan 8.360 nan 0.000 0.458 144 A N 0.755 123.549 122.820 -0.044 0.000 1.898 144 A HA -0.082 4.238 4.320 0.000 0.000 0.214 144 A C 2.487 180.073 177.584 0.004 0.000 1.183 144 A CA 0.746 52.771 52.037 -0.019 0.000 0.622 144 A CB -0.543 18.450 19.000 -0.013 0.000 0.824 144 A HN 0.110 nan 8.150 nan 0.000 0.444 145 V N 0.232 120.149 119.914 0.004 0.000 2.380 145 V HA -0.284 3.836 4.120 0.000 0.000 0.251 145 V C 2.501 178.611 176.094 0.026 0.000 1.063 145 V CA 2.074 64.388 62.300 0.024 0.000 1.055 145 V CB -0.727 31.114 31.823 0.030 0.000 0.657 145 V HN 0.564 nan 8.190 nan 0.000 0.455 146 L N -0.993 120.229 121.223 -0.002 0.000 2.291 146 L HA -0.070 4.270 4.340 0.000 0.000 0.214 146 L C 2.669 179.550 176.870 0.018 0.000 1.120 146 L CA 1.192 56.033 54.840 0.003 0.000 0.799 146 L CB -0.392 41.645 42.059 -0.036 0.000 0.925 146 L HN 0.226 nan 8.230 nan 0.000 0.446 147 R N -0.552 119.958 120.500 0.017 0.000 2.127 147 R HA 0.020 4.360 4.340 0.000 0.000 0.217 147 R C 2.336 178.667 176.300 0.052 0.000 1.074 147 R CA 1.021 57.141 56.100 0.033 0.000 0.991 147 R CB -0.200 30.118 30.300 0.030 0.000 0.895 147 R HN 0.289 nan 8.270 nan 0.000 0.450 148 A N 1.314 124.165 122.820 0.052 0.000 1.930 148 A HA -0.061 4.259 4.320 0.000 0.000 0.215 148 A C 1.965 179.580 177.584 0.053 0.000 1.176 148 A CA 0.718 52.786 52.037 0.052 0.000 0.632 148 A CB -0.150 18.876 19.000 0.043 0.000 0.819 148 A HN 0.021 nan 8.150 nan 0.000 0.445 149 I N 0.610 121.227 120.570 0.079 0.000 2.118 149 I HA -0.165 4.005 4.170 0.000 0.000 0.241 149 I C -0.546 175.643 176.117 0.121 0.000 1.070 149 I CA 1.346 62.725 61.300 0.131 0.000 1.327 149 I CB -2.394 35.690 38.000 0.141 0.000 1.034 149 I HN 0.183 nan 8.210 nan 0.000 0.405 150 P HA -0.142 nan 4.420 nan 0.000 0.222 150 P C 1.483 178.816 177.300 0.055 0.000 1.147 150 P CA 1.214 64.356 63.100 0.069 0.000 0.790 150 P CB -0.156 31.576 31.700 0.053 0.000 0.780 151 Q N -1.127 118.698 119.800 0.043 0.000 2.432 151 Q HA 0.091 4.431 4.340 0.000 0.000 0.205 151 Q C 0.328 176.324 176.000 -0.006 0.000 0.945 151 Q CA 0.232 56.045 55.803 0.016 0.000 0.924 151 Q CB -0.081 28.664 28.738 0.010 0.000 1.016 151 Q HN 0.318 nan 8.270 nan 0.000 0.503 152 L N 1.191 122.418 121.223 0.007 0.000 2.275 152 L HA 0.501 4.841 4.340 0.000 0.000 0.288 152 L C 0.227 177.143 176.870 0.076 0.000 1.046 152 L CA -0.492 54.325 54.840 -0.039 0.000 0.805 152 L CB 0.966 42.912 42.059 -0.187 0.000 1.193 152 L HN -0.000 nan 8.230 nan 0.000 0.426 153 R N 2.257 122.784 120.500 0.045 0.000 2.589 153 R HA 0.925 5.265 4.340 0.000 0.000 0.293 153 R C 0.194 176.575 176.300 0.136 0.000 0.963 153 R CA -0.053 56.109 56.100 0.102 0.000 0.905 153 R CB 1.459 31.791 30.300 0.054 0.000 1.144 153 R HN 0.992 nan 8.270 nan 0.000 0.459 154 G N -0.912 108.006 108.800 0.197 0.000 2.343 154 G HA2 0.498 4.458 3.960 0.000 0.000 0.562 154 G HA3 0.498 4.458 3.960 0.000 0.000 0.562 154 G C -0.738 174.339 174.900 0.294 0.000 1.269 154 G CA -0.017 45.206 45.100 0.204 0.000 1.011 154 G HN 1.938 nan 8.290 nan 0.000 0.498 155 A N 0.302 123.269 122.820 0.244 0.000 2.267 155 A HA 0.938 5.258 4.320 0.000 0.000 0.315 155 A C -0.537 177.194 177.584 0.245 0.000 1.297 155 A CA 0.223 52.348 52.037 0.147 0.000 0.865 155 A CB 0.128 19.175 19.000 0.078 0.000 1.165 155 A HN 2.213 nan 8.150 nan 0.000 0.513 156 Y N -0.245 120.112 120.300 0.095 0.000 2.656 156 Y HA 0.802 5.352 4.550 0.000 0.000 0.334 156 Y C -0.138 175.837 175.900 0.126 0.000 1.179 156 Y CA -0.885 57.302 58.100 0.145 0.000 1.050 156 Y CB 0.676 39.247 38.460 0.184 0.000 1.308 156 Y HN 0.862 nan 8.280 nan 0.000 0.456 157 G N -0.141 108.810 108.800 0.251 0.000 2.612 157 G HA2 0.581 4.541 3.960 0.000 0.000 0.298 157 G HA3 0.581 4.541 3.960 0.000 0.000 0.298 157 G C -1.713 173.386 174.900 0.331 0.000 1.336 157 G CA -0.792 44.407 45.100 0.166 0.000 0.953 157 G HN 0.929 nan 8.290 nan 0.000 0.482 158 T N -1.076 113.646 114.554 0.280 0.000 2.932 158 T HA 0.581 4.931 4.350 0.000 0.000 0.318 158 T C -1.595 173.220 174.700 0.191 0.000 1.265 158 T CA -0.324 61.944 62.100 0.279 0.000 1.036 158 T CB 1.833 70.888 68.868 0.311 0.000 1.209 158 T HN 0.720 nan 8.240 nan 0.000 0.484 159 V N 4.939 124.954 119.914 0.168 0.000 2.588 159 V HA 0.664 4.784 4.120 0.000 0.000 0.304 159 V C -0.509 175.651 176.094 0.110 0.000 1.042 159 V CA -0.728 61.651 62.300 0.131 0.000 0.877 159 V CB 1.664 33.563 31.823 0.127 0.000 0.996 159 V HN 0.832 nan 8.190 nan 0.000 0.425 160 I N 4.821 125.446 120.570 0.091 0.000 2.608 160 I HA 0.629 4.799 4.170 0.000 0.000 0.295 160 I C -0.449 175.710 176.117 0.070 0.000 1.049 160 I CA -0.483 60.860 61.300 0.073 0.000 1.063 160 I CB 2.062 40.102 38.000 0.067 0.000 1.248 160 I HN 0.614 nan 8.210 nan 0.000 0.424 161 M N 5.132 124.771 119.600 0.064 0.000 2.457 161 M HA 0.444 4.925 4.480 0.000 0.000 0.300 161 M C -1.996 174.355 176.300 0.085 0.000 1.141 161 M CA -0.502 54.840 55.300 0.070 0.000 0.901 161 M CB 2.251 34.886 32.600 0.059 0.000 1.687 161 M HN 0.482 nan 8.290 nan 0.000 0.449 162 D N 2.056 122.522 120.400 0.110 0.000 2.392 162 D HA 0.265 4.905 4.640 0.000 0.000 0.228 162 D C 0.525 176.896 176.300 0.117 0.000 1.074 162 D CA -0.234 53.861 54.000 0.159 0.000 0.838 162 D CB 1.431 42.352 40.800 0.202 0.000 1.067 162 D HN 0.684 nan 8.370 nan 0.000 0.511 163 S N 3.530 119.289 115.700 0.099 0.000 2.555 163 S HA -0.076 4.395 4.470 0.000 0.000 0.230 163 S C 1.477 176.068 174.600 -0.015 0.000 0.978 163 S CA 0.202 58.429 58.200 0.045 0.000 0.934 163 S CB -0.082 63.144 63.200 0.044 0.000 0.766 163 S HN 0.487 nan 8.310 nan 0.000 0.533 164 R N 0.550 121.002 120.500 -0.079 0.000 2.280 164 R HA 0.129 4.469 4.340 0.000 0.000 0.207 164 R C 0.098 176.028 176.300 -0.616 0.000 1.043 164 R CA 0.821 56.721 56.100 -0.332 0.000 1.006 164 R CB -0.072 29.961 30.300 -0.445 0.000 0.885 164 R HN 0.544 nan 8.270 nan 0.000 0.467 165 H N -0.289 118.789 119.070 0.014 0.000 2.490 165 H HA 0.144 4.701 4.556 0.000 0.000 0.230 165 H C -2.078 173.260 175.328 0.016 0.000 1.417 165 H CA -1.805 54.248 56.048 0.008 0.000 1.449 165 H CB 1.311 31.071 29.762 -0.003 0.000 1.649 165 H HN 0.029 nan 8.280 nan 0.000 0.519 166 P HA -0.057 nan 4.420 nan 0.000 0.242 166 P C 0.839 178.169 177.300 0.050 0.000 1.197 166 P CA 0.436 63.569 63.100 0.054 0.000 0.765 166 P CB 0.280 31.998 31.700 0.031 0.000 0.936 167 D N -0.739 119.699 120.400 0.062 0.000 2.350 167 D HA -0.046 4.594 4.640 0.000 0.000 0.216 167 D C -0.030 176.291 176.300 0.034 0.000 0.968 167 D CA 0.731 54.757 54.000 0.042 0.000 0.894 167 D CB -0.266 40.562 40.800 0.048 0.000 0.909 167 D HN 0.106 nan 8.370 nan 0.000 0.520 168 T N 0.576 115.159 114.554 0.048 0.000 2.912 168 T HA 0.533 4.883 4.350 0.000 0.000 0.299 168 T C -0.406 174.323 174.700 0.048 0.000 1.052 168 T CA -0.701 61.424 62.100 0.042 0.000 0.996 168 T CB 2.515 71.409 68.868 0.043 0.000 1.070 168 T HN -0.021 nan 8.240 nan 0.000 0.465 169 L N 2.685 123.935 121.223 0.045 0.000 2.342 169 L HA 0.627 4.967 4.340 0.000 0.000 0.271 169 L C -0.934 175.976 176.870 0.067 0.000 1.008 169 L CA -1.220 53.654 54.840 0.056 0.000 0.818 169 L CB 1.641 43.731 42.059 0.052 0.000 1.296 169 L HN 0.243 nan 8.230 nan 0.000 0.427 170 L N 1.959 123.226 121.223 0.073 0.000 2.334 170 L HA 0.829 5.169 4.340 0.000 0.000 0.276 170 L C -0.214 176.712 176.870 0.094 0.000 1.014 170 L CA -0.274 54.615 54.840 0.083 0.000 0.815 170 L CB 1.771 43.873 42.059 0.071 0.000 1.268 170 L HN 0.784 nan 8.230 nan 0.000 0.428 171 A N 2.680 125.562 122.820 0.104 0.000 2.486 171 A HA 0.899 5.219 4.320 0.000 0.000 0.300 171 A C -1.239 176.412 177.584 0.112 0.000 1.048 171 A CA -0.378 51.725 52.037 0.109 0.000 0.696 171 A CB 1.913 20.972 19.000 0.099 0.000 1.278 171 A HN 0.784 nan 8.150 nan 0.000 0.405 172 A N 1.480 124.371 122.820 0.118 0.000 2.374 172 A HA 0.790 5.110 4.320 0.000 0.000 0.305 172 A C -0.417 177.191 177.584 0.040 0.000 1.053 172 A CA -0.582 51.511 52.037 0.094 0.000 0.726 172 A CB 1.129 20.207 19.000 0.130 0.000 1.229 172 A HN 0.896 nan 8.150 nan 0.000 0.431 173 R N 1.865 122.363 120.500 -0.004 0.000 2.229 173 R HA 0.554 4.894 4.340 0.000 0.000 0.332 173 R C -0.986 175.218 176.300 -0.161 0.000 0.989 173 R CA -0.026 56.038 56.100 -0.060 0.000 0.842 173 R CB 0.772 31.070 30.300 -0.004 0.000 1.119 173 R HN 0.598 nan 8.270 nan 0.000 0.456 174 S N 2.746 118.224 115.700 -0.370 0.000 2.526 174 S HA 0.301 4.772 4.470 0.000 0.000 0.220 174 S C 0.413 174.769 174.600 -0.407 0.000 1.159 174 S CA -0.040 57.877 58.200 -0.472 0.000 1.196 174 S CB 1.541 64.238 63.200 -0.837 0.000 1.225 174 S HN 0.989 nan 8.310 nan 0.000 0.432 175 G N 0.816 109.499 108.800 -0.194 0.000 2.192 175 G HA2 -0.161 3.799 3.960 0.000 0.000 0.193 175 G HA3 -0.161 3.799 3.960 0.000 0.000 0.193 175 G C -0.016 174.857 174.900 -0.045 0.000 0.999 175 G CA 0.094 45.137 45.100 -0.094 0.000 0.659 175 G HN 0.702 nan 8.290 nan 0.000 0.503 176 S N 0.495 116.166 115.700 -0.048 0.000 2.541 176 S HA 0.746 5.217 4.470 0.000 0.000 0.280 176 S C -2.980 171.629 174.600 0.016 0.000 1.112 176 S CA -1.120 57.085 58.200 0.009 0.000 0.925 176 S CB 2.168 65.401 63.200 0.055 0.000 1.067 176 S HN 0.031 nan 8.310 nan 0.000 0.479 177 P HA 0.334 nan 4.420 nan 0.000 0.268 177 P C -1.264 176.070 177.300 0.057 0.000 1.204 177 P CA 0.040 63.171 63.100 0.051 0.000 0.768 177 P CB 0.323 32.056 31.700 0.055 0.000 0.842 178 L N 2.911 124.175 121.223 0.068 0.000 2.431 178 L HA 0.651 4.991 4.340 0.000 0.000 0.266 178 L C -0.743 176.153 176.870 0.045 0.000 0.978 178 L CA -0.968 53.908 54.840 0.059 0.000 0.822 178 L CB 2.513 44.610 42.059 0.063 0.000 1.310 178 L HN 0.109 nan 8.230 nan 0.000 0.409 179 V N 4.131 124.041 119.914 -0.007 0.000 2.789 179 V HA 0.566 4.686 4.120 0.000 0.000 0.311 179 V C -0.723 175.354 176.094 -0.028 0.000 1.073 179 V CA -0.390 61.834 62.300 -0.127 0.000 0.921 179 V CB 2.449 34.040 31.823 -0.387 0.000 1.009 179 V HN 0.557 nan 8.190 nan 0.000 0.426 180 I N 5.328 125.890 120.570 -0.014 0.000 2.353 180 I HA 0.620 4.790 4.170 0.000 0.000 0.293 180 I C 0.833 177.053 176.117 0.172 0.000 0.992 180 I CA 0.152 61.499 61.300 0.078 0.000 1.268 180 I CB 1.639 39.661 38.000 0.037 0.000 1.387 180 I HN 0.738 nan 8.210 nan 0.000 0.478 181 G N 6.737 115.680 108.800 0.238 0.000 2.372 181 G HA2 0.642 4.603 3.960 0.000 0.000 0.323 181 G HA3 0.642 4.603 3.960 0.000 0.000 0.323 181 G C -0.745 174.198 174.900 0.072 0.000 1.152 181 G CA -0.603 44.569 45.100 0.121 0.000 0.906 181 G HN 0.449 nan 8.290 nan 0.000 0.460 182 L N 2.903 124.073 121.223 -0.087 0.000 2.261 182 L HA 0.506 4.847 4.340 0.000 0.000 0.289 182 L C 1.135 178.006 176.870 0.003 0.000 1.059 182 L CA -0.562 54.254 54.840 -0.040 0.000 0.816 182 L CB 1.104 43.121 42.059 -0.071 0.000 1.191 182 L HN 0.622 nan 8.230 nan 0.000 0.431 183 G N 3.132 111.966 108.800 0.057 0.000 2.583 183 G HA2 0.574 4.534 3.960 0.000 0.000 0.280 183 G HA3 0.574 4.534 3.960 0.000 0.000 0.280 183 G C -0.382 174.530 174.900 0.020 0.000 1.376 183 G CA -0.821 44.339 45.100 0.100 0.000 1.043 183 G HN 0.437 nan 8.290 nan 0.000 0.538 184 M N 1.192 120.809 119.600 0.030 0.000 2.080 184 M HA 0.351 4.832 4.480 0.000 0.000 0.350 184 M C 1.017 177.314 176.300 -0.005 0.000 1.143 184 M CA 0.570 55.874 55.300 0.006 0.000 1.064 184 M CB 1.023 33.630 32.600 0.012 0.000 1.429 184 M HN 1.025 nan 8.290 nan 0.000 0.418 185 G N 2.385 111.171 108.800 -0.024 0.000 2.155 185 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 185 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 185 G C -0.294 174.567 174.900 -0.065 0.000 0.983 185 G CA 0.739 45.819 45.100 -0.034 0.000 0.676 185 G HN 0.743 nan 8.290 nan 0.000 0.528 186 E N -1.114 119.024 120.200 -0.104 0.000 2.412 186 E HA 0.714 5.064 4.350 0.000 0.000 0.279 186 E C -1.242 175.152 176.600 -0.343 0.000 0.984 186 E CA -1.317 54.938 56.400 -0.242 0.000 0.788 186 E CB 1.313 30.850 29.700 -0.271 0.000 1.277 186 E HN 0.030 nan 8.360 nan 0.000 0.455 187 N N 0.242 118.617 118.700 -0.541 0.000 2.329 187 N HA 0.581 5.321 4.740 0.000 0.000 0.282 187 N C -1.658 173.430 175.510 -0.704 0.000 1.198 187 N CA -0.413 52.370 53.050 -0.444 0.000 0.790 187 N CB 1.664 40.040 38.487 -0.186 0.000 1.579 187 N HN 0.388 nan 8.380 nan 0.000 0.475 188 F N 0.228 120.190 119.950 0.019 0.000 2.650 188 F HA 0.666 5.193 4.527 0.000 0.000 0.320 188 F C -0.135 175.696 175.800 0.053 0.000 1.091 188 F CA -0.847 57.178 58.000 0.041 0.000 0.962 188 F CB 1.910 40.942 39.000 0.053 0.000 1.363 188 F HN 0.223 nan 8.300 nan 0.000 0.482 189 I N 0.613 121.347 120.570 0.273 0.000 2.994 189 I HA 0.887 5.057 4.170 0.000 0.000 0.306 189 I C -1.665 174.542 176.117 0.151 0.000 1.195 189 I CA -0.504 60.900 61.300 0.174 0.000 1.001 189 I CB 2.024 40.096 38.000 0.120 0.000 1.244 189 I HN 0.798 nan 8.210 nan 0.000 0.437 190 A N 2.714 125.594 122.820 0.100 0.000 2.601 190 A HA 0.502 4.822 4.320 0.000 0.000 0.291 190 A C 0.049 177.658 177.584 0.040 0.000 1.075 190 A CA 0.111 52.188 52.037 0.068 0.000 0.671 190 A CB 0.987 20.017 19.000 0.050 0.000 1.277 190 A HN 0.823 nan 8.150 nan 0.000 0.417 191 S N -0.287 115.431 115.700 0.030 0.000 2.461 191 S HA 0.118 4.589 4.470 0.000 0.000 0.228 191 S C 0.310 174.918 174.600 0.014 0.000 1.005 191 S CA 1.301 59.516 58.200 0.025 0.000 0.942 191 S CB -0.023 63.182 63.200 0.009 0.000 0.776 191 S HN 0.779 nan 8.310 nan 0.000 0.514 192 D N 0.485 120.882 120.400 -0.005 0.000 2.947 192 D HA 0.103 4.744 4.640 0.000 0.000 0.224 192 D C 0.463 176.711 176.300 -0.088 0.000 1.230 192 D CA -0.297 53.693 54.000 -0.017 0.000 0.871 192 D CB 1.797 42.610 40.800 0.020 0.000 1.671 192 D HN 0.249 nan 8.370 nan 0.000 0.507 193 Q N 2.230 121.900 119.800 -0.217 0.000 2.368 193 Q HA -0.155 4.185 4.340 0.000 0.000 0.210 193 Q C 1.495 177.378 176.000 -0.196 0.000 0.982 193 Q CA 0.714 56.231 55.803 -0.477 0.000 0.884 193 Q CB 0.061 28.184 28.738 -1.026 0.000 0.933 193 Q HN 0.348 nan 8.270 nan 0.000 0.460 194 L N 1.400 122.573 121.223 -0.082 0.000 2.081 194 L HA -0.141 4.200 4.340 0.000 0.000 0.212 194 L C 2.444 179.318 176.870 0.007 0.000 1.080 194 L CA 1.994 56.824 54.840 -0.016 0.000 0.754 194 L CB -1.230 40.840 42.059 0.019 0.000 0.893 194 L HN 0.391 nan 8.230 nan 0.000 0.433 195 A N -1.433 121.391 122.820 0.006 0.000 1.972 195 A HA -0.120 4.200 4.320 0.000 0.000 0.219 195 A C 2.130 179.713 177.584 -0.002 0.000 1.169 195 A CA 1.571 53.616 52.037 0.012 0.000 0.635 195 A CB -0.440 18.569 19.000 0.015 0.000 0.810 195 A HN 0.466 nan 8.150 nan 0.000 0.446 196 L N -0.826 120.415 121.223 0.029 0.000 2.616 196 L HA 0.172 4.513 4.340 0.000 0.000 0.229 196 L C 1.768 178.676 176.870 0.064 0.000 1.110 196 L CA -0.131 54.720 54.840 0.018 0.000 0.884 196 L CB -0.152 42.023 42.059 0.193 0.000 1.115 196 L HN 0.295 nan 8.230 nan 0.000 0.481 197 L N 0.685 121.979 121.223 0.118 0.000 2.089 197 L HA -0.191 4.149 4.340 0.000 0.000 0.213 197 L C -0.317 176.568 176.870 0.025 0.000 1.079 197 L CA 1.522 56.430 54.840 0.114 0.000 0.758 197 L CB -1.837 40.280 42.059 0.096 0.000 0.891 197 L HN 0.259 nan 8.230 nan 0.000 0.433 198 P HA -0.116 nan 4.420 nan 0.000 0.225 198 P C 1.377 178.627 177.300 -0.084 0.000 1.148 198 P CA 1.151 64.225 63.100 -0.042 0.000 0.779 198 P CB 0.091 31.760 31.700 -0.051 0.000 0.780 199 V N -7.218 112.602 119.914 -0.156 0.000 3.539 199 V HA 0.334 4.454 4.120 0.000 0.000 0.262 199 V C 0.620 176.631 176.094 -0.138 0.000 1.381 199 V CA 0.522 62.696 62.300 -0.211 0.000 1.060 199 V CB 0.378 31.877 31.823 -0.541 0.000 0.842 199 V HN 0.037 nan 8.190 nan 0.000 0.445 200 T N -0.081 114.391 114.554 -0.137 0.000 2.830 200 T HA 0.512 4.862 4.350 0.000 0.000 0.322 200 T C -0.906 173.662 174.700 -0.220 0.000 1.501 200 T CA -0.458 61.543 62.100 -0.165 0.000 1.036 200 T CB 2.052 70.801 68.868 -0.199 0.000 1.379 200 T HN 0.103 nan 8.240 nan 0.000 0.493 201 R N 1.574 121.909 120.500 -0.276 0.000 2.577 201 R HA 0.341 4.681 4.340 0.000 0.000 0.344 201 R C -0.027 175.988 176.300 -0.475 0.000 1.037 201 R CA -0.314 55.658 56.100 -0.214 0.000 1.102 201 R CB 0.100 30.392 30.300 -0.014 0.000 1.313 201 R HN 0.397 nan 8.270 nan 0.000 0.561 202 R N 0.260 120.242 120.500 -0.863 0.000 2.409 202 R HA 0.470 4.810 4.340 0.000 0.000 0.313 202 R C -1.437 174.392 176.300 -0.785 0.000 0.953 202 R CA -0.124 55.639 56.100 -0.562 0.000 0.849 202 R CB 0.402 30.531 30.300 -0.286 0.000 1.171 202 R HN -0.175 nan 8.270 nan 0.000 0.458 203 F N 4.519 124.436 119.950 -0.054 0.000 2.565 203 F HA 0.534 5.062 4.527 0.000 0.000 0.313 203 F C -0.121 175.551 175.800 -0.214 0.000 1.091 203 F CA -0.955 56.921 58.000 -0.206 0.000 0.915 203 F CB 1.925 40.682 39.000 -0.405 0.000 1.208 203 F HN 0.202 nan 8.300 nan 0.000 0.453 204 I N 3.395 123.937 120.570 -0.047 0.000 2.354 204 I HA 0.264 4.435 4.170 0.000 0.000 0.286 204 I C -1.035 174.987 176.117 -0.159 0.000 1.007 204 I CA -0.489 60.787 61.300 -0.039 0.000 1.167 204 I CB 0.801 38.802 38.000 0.002 0.000 1.320 204 I HN 0.384 nan 8.210 nan 0.000 0.458 205 F N 6.605 126.610 119.950 0.091 0.000 2.444 205 F HA 0.319 4.846 4.527 0.001 0.000 0.360 205 F C 0.559 176.383 175.800 0.039 0.000 1.106 205 F CA -0.309 57.724 58.000 0.055 0.000 1.170 205 F CB 0.406 39.425 39.000 0.032 0.000 1.113 205 F HN 0.201 nan 8.300 nan 0.000 0.521 206 L N 3.651 124.957 121.223 0.139 0.000 2.464 206 L HA 0.211 4.552 4.340 0.000 0.000 0.264 206 L C 0.429 177.362 176.870 0.105 0.000 1.199 206 L CA -0.256 54.643 54.840 0.099 0.000 0.818 206 L CB 0.423 42.523 42.059 0.068 0.000 1.102 206 L HN 0.578 nan 8.230 nan 0.000 0.473 207 E N 0.554 120.796 120.200 0.070 0.000 2.232 207 E HA 0.280 4.630 4.350 0.000 0.000 0.264 207 E C -1.007 175.611 176.600 0.029 0.000 0.973 207 E CA -0.992 55.438 56.400 0.051 0.000 0.849 207 E CB 1.287 31.012 29.700 0.042 0.000 1.198 207 E HN 0.366 nan 8.360 nan 0.000 0.407 208 E N -0.157 120.051 120.200 0.013 0.000 2.415 208 E HA 0.198 4.549 4.350 0.000 0.000 0.263 208 E C 0.694 177.293 176.600 -0.001 0.000 0.995 208 E CA 1.567 57.962 56.400 -0.009 0.000 0.915 208 E CB 0.524 30.215 29.700 -0.014 0.000 0.951 208 E HN 0.764 nan 8.360 nan 0.000 0.449 209 G N 3.462 112.255 108.800 -0.011 0.000 2.254 209 G HA2 -0.238 3.722 3.960 0.000 0.000 0.225 209 G HA3 -0.238 3.722 3.960 0.000 0.000 0.225 209 G C -0.099 174.824 174.900 0.038 0.000 1.003 209 G CA -0.068 45.041 45.100 0.014 0.000 0.622 209 G HN 0.555 nan 8.290 nan 0.000 0.507 210 D N 0.773 121.196 120.400 0.038 0.000 2.389 210 D HA 0.560 5.201 4.640 0.000 0.000 0.247 210 D C 0.436 176.787 176.300 0.085 0.000 1.128 210 D CA 0.309 54.347 54.000 0.063 0.000 0.884 210 D CB 1.108 41.940 40.800 0.052 0.000 1.194 210 D HN 0.353 nan 8.370 nan 0.000 0.441 211 I N 1.542 122.195 120.570 0.138 0.000 2.404 211 I HA 0.464 4.634 4.170 0.000 0.000 0.293 211 I C -0.106 176.148 176.117 0.228 0.000 0.992 211 I CA -0.678 60.723 61.300 0.167 0.000 1.149 211 I CB 1.789 39.892 38.000 0.171 0.000 1.315 211 I HN 0.300 nan 8.210 nan 0.000 0.446 212 A N 5.453 128.379 122.820 0.176 0.000 2.318 212 A HA 0.577 4.897 4.320 0.000 0.000 0.324 212 A C -0.590 177.109 177.584 0.192 0.000 1.170 212 A CA -0.485 51.652 52.037 0.167 0.000 0.810 212 A CB 0.978 20.033 19.000 0.091 0.000 1.198 212 A HN 0.729 nan 8.150 nan 0.000 0.484 213 E N 2.618 122.968 120.200 0.250 0.000 2.129 213 E HA 0.545 4.895 4.350 0.000 0.000 0.268 213 E C -1.473 175.199 176.600 0.119 0.000 0.900 213 E CA -0.330 56.188 56.400 0.197 0.000 0.755 213 E CB 0.687 30.558 29.700 0.285 0.000 1.117 213 E HN 0.590 nan 8.360 nan 0.000 0.410 214 I N 4.123 124.737 120.570 0.074 0.000 2.378 214 I HA 0.266 4.437 4.170 0.000 0.000 0.291 214 I C 0.391 176.517 176.117 0.015 0.000 0.992 214 I CA -0.382 60.938 61.300 0.034 0.000 1.154 214 I CB 1.886 39.899 38.000 0.023 0.000 1.315 214 I HN 0.509 nan 8.210 nan 0.000 0.448 215 T N 1.310 115.863 114.554 -0.002 0.000 2.905 215 T HA 0.469 4.820 4.350 0.000 0.000 0.283 215 T C 1.049 175.718 174.700 -0.051 0.000 1.031 215 T CA -0.806 61.285 62.100 -0.015 0.000 1.002 215 T CB 1.440 70.307 68.868 -0.001 0.000 1.200 215 T HN 0.476 nan 8.240 nan 0.000 0.560 216 R N -0.313 120.153 120.500 -0.057 0.000 2.127 216 R HA 0.022 4.362 4.340 0.000 0.000 0.238 216 R C 2.012 178.270 176.300 -0.069 0.000 1.134 216 R CA 1.010 57.060 56.100 -0.085 0.000 0.975 216 R CB -0.059 30.204 30.300 -0.061 0.000 0.865 216 R HN 0.368 nan 8.270 nan 0.000 0.447 217 R N -0.260 120.215 120.500 -0.042 0.000 2.335 217 R HA 0.160 4.501 4.340 0.000 0.000 0.210 217 R C 0.382 176.667 176.300 -0.025 0.000 0.892 217 R CA 0.335 56.416 56.100 -0.031 0.000 1.048 217 R CB 0.929 31.218 30.300 -0.018 0.000 1.067 217 R HN 0.155 nan 8.270 nan 0.000 0.524 218 S N -1.280 114.407 115.700 -0.022 0.000 2.570 218 S HA 0.622 5.092 4.470 0.000 0.000 0.270 218 S C -0.831 173.762 174.600 -0.011 0.000 1.149 218 S CA -0.787 57.405 58.200 -0.013 0.000 0.837 218 S CB 2.680 65.880 63.200 0.001 0.000 1.124 218 S HN -0.187 nan 8.310 nan 0.000 0.465 219 V N 1.920 121.824 119.914 -0.017 0.000 2.569 219 V HA 0.581 4.701 4.120 0.000 0.000 0.301 219 V C -1.213 174.853 176.094 -0.047 0.000 1.044 219 V CA -0.602 61.687 62.300 -0.017 0.000 0.874 219 V CB 1.631 33.440 31.823 -0.024 0.000 1.002 219 V HN 0.979 nan 8.190 nan 0.000 0.424 220 N N 3.978 122.653 118.700 -0.042 0.000 2.295 220 N HA 0.758 5.498 4.740 0.000 0.000 0.293 220 N C -1.290 174.000 175.510 -0.367 0.000 1.040 220 N CA -0.448 52.465 53.050 -0.228 0.000 0.840 220 N CB 2.378 40.772 38.487 -0.156 0.000 1.468 220 N HN 0.571 nan 8.380 nan 0.000 0.478 221 I N 2.191 122.419 120.570 -0.570 0.000 2.474 221 I HA 0.517 4.687 4.170 0.000 0.000 0.294 221 I C -1.050 174.663 176.117 -0.674 0.000 1.005 221 I CA -0.614 60.448 61.300 -0.396 0.000 1.113 221 I CB 1.013 38.919 38.000 -0.157 0.000 1.289 221 I HN 0.320 nan 8.210 nan 0.000 0.436 222 F N 2.780 122.743 119.950 0.021 0.000 2.563 222 F HA 0.400 4.928 4.527 0.000 0.000 0.316 222 F C 0.160 175.973 175.800 0.021 0.000 1.076 222 F CA -0.967 57.045 58.000 0.020 0.000 0.921 222 F CB 1.252 40.264 39.000 0.019 0.000 1.209 222 F HN 0.468 nan 8.300 nan 0.000 0.462 223 D N 0.583 121.102 120.400 0.199 0.000 2.478 223 D HA 0.221 4.861 4.640 0.000 0.000 0.274 223 D C 0.713 177.084 176.300 0.117 0.000 1.234 223 D CA -0.465 53.608 54.000 0.122 0.000 1.069 223 D CB 0.518 41.364 40.800 0.076 0.000 1.113 223 D HN 0.463 nan 8.370 nan 0.000 0.571 224 K N -0.917 119.531 120.400 0.079 0.000 2.044 224 K HA -0.087 4.233 4.320 0.000 0.000 0.210 224 K C 1.492 178.129 176.600 0.062 0.000 1.049 224 K CA 1.747 58.073 56.287 0.065 0.000 0.927 224 K CB -0.829 31.700 32.500 0.049 0.000 0.713 224 K HN 0.603 nan 8.250 nan 0.000 0.443 225 T N -1.459 113.133 114.554 0.062 0.000 2.753 225 T HA 0.188 4.539 4.350 0.000 0.000 0.309 225 T C 1.418 176.162 174.700 0.073 0.000 1.043 225 T CA -0.118 62.016 62.100 0.056 0.000 0.964 225 T CB 0.969 69.866 68.868 0.048 0.000 1.206 225 T HN 0.246 nan 8.240 nan 0.000 0.528 226 G N -0.247 108.587 108.800 0.056 0.000 3.026 226 G HA2 0.460 4.420 3.960 0.000 0.000 0.208 226 G HA3 0.460 4.420 3.960 0.000 0.000 0.208 226 G C 0.501 175.510 174.900 0.181 0.000 1.169 226 G CA 0.253 45.384 45.100 0.051 0.000 0.788 226 G HN 1.017 nan 8.290 nan 0.000 0.533 227 A N 0.138 123.066 122.820 0.180 0.000 2.388 227 A HA 0.543 4.864 4.320 0.000 0.000 0.257 227 A C 0.190 177.911 177.584 0.228 0.000 1.095 227 A CA -0.403 51.741 52.037 0.179 0.000 0.791 227 A CB 0.619 19.678 19.000 0.098 0.000 1.029 227 A HN 0.322 nan 8.150 nan 0.000 0.489 228 E N 0.652 120.948 120.200 0.159 0.000 2.313 228 E HA 0.498 4.849 4.350 0.000 0.000 0.272 228 E C -0.603 175.940 176.600 -0.095 0.000 1.038 228 E CA -0.491 55.862 56.400 -0.077 0.000 0.863 228 E CB 1.111 30.712 29.700 -0.166 0.000 1.060 228 E HN 0.647 nan 8.360 nan 0.000 0.402 229 V N 0.107 119.916 119.914 -0.175 0.000 3.001 229 V HA 0.584 4.704 4.120 0.000 0.000 0.314 229 V C -0.875 175.157 176.094 -0.103 0.000 1.099 229 V CA -1.099 61.147 62.300 -0.091 0.000 0.989 229 V CB 1.774 33.571 31.823 -0.043 0.000 1.040 229 V HN 0.575 nan 8.190 nan 0.000 0.434 230 K N 2.426 122.792 120.400 -0.056 0.000 2.183 230 K HA 0.670 4.991 4.320 0.000 0.000 0.274 230 K C -0.814 175.771 176.600 -0.025 0.000 1.009 230 K CA -0.701 55.558 56.287 -0.047 0.000 0.888 230 K CB 1.208 33.691 32.500 -0.028 0.000 1.078 230 K HN 0.583 nan 8.250 nan 0.000 0.459 231 R N 2.648 123.136 120.500 -0.021 0.000 2.532 231 R HA 0.221 4.562 4.340 0.000 0.000 0.297 231 R C -0.843 175.471 176.300 0.022 0.000 0.984 231 R CA -1.056 55.051 56.100 0.011 0.000 0.884 231 R CB 1.794 32.102 30.300 0.014 0.000 1.182 231 R HN 0.578 nan 8.270 nan 0.000 0.442 232 Q N 1.933 121.759 119.800 0.044 0.000 2.314 232 Q HA 0.096 4.436 4.340 0.000 0.000 0.258 232 Q C -0.177 175.867 176.000 0.074 0.000 0.954 232 Q CA 0.166 55.999 55.803 0.050 0.000 0.890 232 Q CB 0.911 29.682 28.738 0.056 0.000 1.210 232 Q HN 0.427 nan 8.270 nan 0.000 0.410 233 D N 1.981 122.413 120.400 0.053 0.000 2.264 233 D HA 0.413 5.053 4.640 0.000 0.000 0.249 233 D C -0.307 176.047 176.300 0.090 0.000 1.070 233 D CA -0.419 53.619 54.000 0.063 0.000 0.912 233 D CB 1.029 41.838 40.800 0.015 0.000 1.193 233 D HN 0.318 nan 8.370 nan 0.000 0.427 234 I N -2.761 117.894 120.570 0.141 0.000 3.279 234 I HA 0.526 4.696 4.170 0.000 0.000 0.315 234 I C -0.474 175.744 176.117 0.169 0.000 1.187 234 I CA -1.647 59.747 61.300 0.156 0.000 0.953 234 I CB 0.958 39.080 38.000 0.204 0.000 1.279 234 I HN 0.199 nan 8.210 nan 0.000 0.465 235 E N 0.824 121.114 120.200 0.150 0.000 2.349 235 E HA 0.433 4.783 4.350 0.000 0.000 0.265 235 E C -0.300 176.454 176.600 0.258 0.000 1.064 235 E CA -0.177 56.309 56.400 0.144 0.000 0.886 235 E CB 1.084 30.839 29.700 0.092 0.000 1.036 235 E HN 0.711 nan 8.360 nan 0.000 0.413 236 S N 3.022 118.911 115.700 0.315 0.000 2.555 236 S HA -0.061 4.409 4.470 0.000 0.000 0.293 236 S C 0.868 175.608 174.600 0.234 0.000 1.248 236 S CA -0.097 58.354 58.200 0.418 0.000 1.096 236 S CB -0.151 63.312 63.200 0.438 0.000 0.881 236 S HN 0.581 nan 8.310 nan 0.000 0.498 237 N N 5.531 124.358 118.700 0.213 0.000 2.680 237 N HA -0.051 4.689 4.740 0.000 0.000 0.197 237 N C 0.122 175.673 175.510 0.069 0.000 1.288 237 N CA 0.393 53.507 53.050 0.107 0.000 0.924 237 N CB -0.495 38.020 38.487 0.047 0.000 1.025 237 N HN 0.580 nan 8.380 nan 0.000 0.447 238 L N -0.397 120.876 121.223 0.084 0.000 2.358 238 L HA 0.415 4.755 4.340 0.000 0.000 0.268 238 L C 1.211 178.110 176.870 0.048 0.000 1.032 238 L CA -0.804 54.067 54.840 0.053 0.000 0.805 238 L CB 0.913 43.001 42.059 0.048 0.000 1.253 238 L HN 0.177 nan 8.230 nan 0.000 0.452 239 Q N -0.471 119.349 119.800 0.032 0.000 2.370 239 Q HA 0.376 4.717 4.340 0.000 0.000 0.186 239 Q C -0.234 175.788 176.000 0.036 0.000 1.093 239 Q CA 0.459 56.280 55.803 0.030 0.000 1.142 239 Q CB -0.329 28.422 28.738 0.021 0.000 1.175 239 Q HN 0.562 nan 8.270 nan 0.000 0.625 240 Y N -1.313 119.008 120.300 0.034 0.000 2.486 240 Y HA 0.470 5.021 4.550 0.000 0.000 0.348 240 Y C 1.329 177.253 175.900 0.039 0.000 1.000 240 Y CA 0.418 58.539 58.100 0.035 0.000 1.253 240 Y CB -1.125 37.354 38.460 0.031 0.000 1.140 240 Y HN 1.954 nan 8.280 nan 0.000 0.526 241 D N 0.456 120.881 120.400 0.041 0.000 2.981 241 D HA 0.195 4.835 4.640 0.000 0.000 0.223 241 D C 0.508 176.840 176.300 0.053 0.000 1.151 241 D CA 0.932 54.959 54.000 0.045 0.000 0.827 241 D CB -1.771 39.054 40.800 0.042 0.000 1.101 241 D HN 2.549 nan 8.370 nan 0.000 0.426 242 A N -1.173 121.673 122.820 0.044 0.000 2.584 242 A HA 0.603 4.923 4.320 0.000 0.000 0.239 242 A C 2.374 179.980 177.584 0.036 0.000 1.043 242 A CA 1.792 53.848 52.037 0.031 0.000 0.756 242 A CB -0.332 18.677 19.000 0.016 0.000 0.963 242 A HN 2.420 nan 8.150 nan 0.000 0.511 243 G N 1.475 110.298 108.800 0.038 0.000 2.143 243 G HA2 -0.170 3.790 3.960 0.000 0.000 0.248 243 G HA3 -0.170 3.790 3.960 0.000 0.000 0.248 243 G C -0.182 174.855 174.900 0.228 0.000 0.991 243 G CA 0.738 45.867 45.100 0.049 0.000 0.689 243 G HN 1.405 nan 8.290 nan 0.000 0.522 244 D N -0.982 119.553 120.400 0.224 0.000 2.457 244 D HA 0.545 5.186 4.640 0.000 0.000 0.240 244 D C 1.181 177.521 176.300 0.067 0.000 1.041 244 D CA -0.958 53.132 54.000 0.149 0.000 0.861 244 D CB 0.948 41.788 40.800 0.066 0.000 1.394 244 D HN -0.018 nan 8.370 nan 0.000 0.473 245 K N 1.752 122.069 120.400 -0.139 0.000 2.365 245 K HA 0.196 4.517 4.320 0.000 0.000 0.197 245 K C 1.340 177.921 176.600 -0.032 0.000 1.042 245 K CA 0.459 56.578 56.287 -0.281 0.000 0.987 245 K CB -0.207 32.014 32.500 -0.465 0.000 0.779 245 K HN 0.696 nan 8.250 nan 0.000 0.484 246 G N 2.314 111.101 108.800 -0.022 0.000 2.622 246 G HA2 -0.377 3.583 3.960 0.000 0.000 0.307 246 G HA3 -0.377 3.583 3.960 0.000 0.000 0.307 246 G C 0.900 175.746 174.900 -0.090 0.000 1.226 246 G CA 0.725 45.815 45.100 -0.017 0.000 0.997 246 G HN 0.344 nan 8.290 nan 0.000 0.551 247 I N -1.666 118.791 120.570 -0.189 0.000 2.928 247 I HA 0.348 4.518 4.170 0.000 0.000 0.266 247 I C 1.269 177.137 176.117 -0.414 0.000 1.234 247 I CA 0.305 61.402 61.300 -0.339 0.000 1.483 247 I CB -0.357 37.366 38.000 -0.462 0.000 1.097 247 I HN 0.314 nan 8.210 nan 0.000 0.455 248 Y N 1.296 121.494 120.300 -0.171 0.000 2.314 248 Y HA 0.310 4.861 4.550 0.000 0.000 0.334 248 Y C 1.798 177.565 175.900 -0.222 0.000 1.266 248 Y CA -0.278 57.706 58.100 -0.194 0.000 1.391 248 Y CB 0.553 38.899 38.460 -0.189 0.000 1.306 248 Y HN -0.044 nan 8.280 nan 0.000 0.558 249 R N -0.024 120.458 120.500 -0.030 0.000 2.156 249 R HA 0.103 4.444 4.340 0.000 0.000 0.207 249 R C -0.543 175.499 176.300 -0.430 0.000 1.040 249 R CA 0.952 56.918 56.100 -0.224 0.000 1.013 249 R CB 0.251 30.444 30.300 -0.178 0.000 0.931 249 R HN 0.643 nan 8.270 nan 0.000 0.465 250 H N -1.113 117.958 119.070 0.001 0.000 2.768 250 H HA 0.132 4.688 4.556 0.000 0.000 0.371 250 H C -0.222 175.035 175.328 -0.118 0.000 1.151 250 H CA -0.796 55.239 56.048 -0.022 0.000 1.165 250 H CB 1.271 31.140 29.762 0.177 0.000 1.722 250 H HN -0.024 nan 8.280 nan 0.000 0.543 251 Y N 0.472 120.820 120.300 0.079 0.000 2.193 251 Y HA -0.238 4.312 4.550 0.000 0.000 0.285 251 Y C 2.807 178.654 175.900 -0.088 0.000 1.166 251 Y CA 1.275 59.350 58.100 -0.041 0.000 1.181 251 Y CB -0.035 38.375 38.460 -0.082 0.000 0.976 251 Y HN 0.540 nan 8.280 nan 0.000 0.520 252 M N -0.287 119.376 119.600 0.105 0.000 2.213 252 M HA -0.280 4.201 4.480 0.000 0.000 0.263 252 M C 2.324 178.512 176.300 -0.186 0.000 1.062 252 M CA 1.611 56.899 55.300 -0.020 0.000 1.105 252 M CB -0.152 32.459 32.600 0.018 0.000 1.385 252 M HN 0.383 nan 8.290 nan 0.000 0.417 253 Q N 0.422 120.071 119.800 -0.252 0.000 1.990 253 Q HA -0.263 4.077 4.340 0.000 0.000 0.200 253 Q C 2.017 177.796 176.000 -0.369 0.000 0.980 253 Q CA 1.982 57.552 55.803 -0.388 0.000 0.832 253 Q CB -0.193 28.393 28.738 -0.253 0.000 0.897 253 Q HN 0.469 nan 8.270 nan 0.000 0.427 254 K N 0.357 120.401 120.400 -0.593 0.000 2.074 254 K HA -0.234 4.086 4.320 0.000 0.000 0.209 254 K C 1.672 177.953 176.600 -0.531 0.000 1.048 254 K CA 2.003 57.609 56.287 -1.136 0.000 0.926 254 K CB 0.003 32.077 32.500 -0.710 0.000 0.713 254 K HN 0.233 nan 8.250 nan 0.000 0.444 255 E N 0.311 120.349 120.200 -0.269 0.000 2.107 255 E HA -0.106 4.244 4.350 0.000 0.000 0.191 255 E C 1.998 178.510 176.600 -0.146 0.000 0.982 255 E CA 1.108 57.414 56.400 -0.156 0.000 0.809 255 E CB -0.011 29.634 29.700 -0.091 0.000 0.756 255 E HN 0.334 nan 8.360 nan 0.000 0.459 256 I N -0.071 120.393 120.570 -0.176 0.000 2.226 256 I HA -0.284 3.887 4.170 0.000 0.000 0.245 256 I C 1.610 177.576 176.117 -0.251 0.000 1.100 256 I CA 1.260 62.429 61.300 -0.219 0.000 1.374 256 I CB -0.071 37.751 38.000 -0.297 0.000 1.057 256 I HN 0.156 nan 8.210 nan 0.000 0.413 257 Y N -0.068 120.102 120.300 -0.217 0.000 2.519 257 Y HA -0.082 4.468 4.550 0.001 0.000 0.287 257 Y C 2.342 178.189 175.900 -0.089 0.000 1.128 257 Y CA 0.632 58.657 58.100 -0.126 0.000 1.282 257 Y CB 0.029 38.444 38.460 -0.075 0.000 1.027 257 Y HN 0.153 nan 8.280 nan 0.000 0.551 258 E N -0.171 120.013 120.200 -0.025 0.000 2.435 258 E HA -0.145 4.205 4.350 0.000 0.000 0.195 258 E C 1.729 178.316 176.600 -0.022 0.000 1.029 258 E CA 0.268 56.654 56.400 -0.024 0.000 0.865 258 E CB 0.153 29.814 29.700 -0.065 0.000 0.833 258 E HN 0.530 nan 8.360 nan 0.000 0.510 259 Q N 0.022 119.794 119.800 -0.046 0.000 2.077 259 Q HA -0.163 4.178 4.340 0.000 0.000 0.206 259 Q C -0.784 175.208 176.000 -0.015 0.000 0.989 259 Q CA 1.887 57.668 55.803 -0.036 0.000 0.853 259 Q CB -0.800 27.906 28.738 -0.054 0.000 0.907 259 Q HN 0.320 nan 8.270 nan 0.000 0.418 260 P HA -0.195 nan 4.420 nan 0.000 0.216 260 P C 0.765 178.070 177.300 0.009 0.000 1.153 260 P CA 1.276 64.381 63.100 0.008 0.000 0.858 260 P CB -0.118 31.593 31.700 0.019 0.000 0.789 261 N N -0.739 117.968 118.700 0.012 0.000 2.207 261 N HA -0.096 4.644 4.740 0.000 0.000 0.182 261 N C 1.627 177.139 175.510 0.004 0.000 1.020 261 N CA 1.142 54.199 53.050 0.012 0.000 0.858 261 N CB -0.210 38.288 38.487 0.020 0.000 0.991 261 N HN -0.052 nan 8.380 nan 0.000 0.427 262 A N 1.399 124.218 122.820 -0.002 0.000 1.902 262 A HA -0.077 4.243 4.320 0.000 0.000 0.217 262 A C 2.220 179.800 177.584 -0.006 0.000 1.181 262 A CA 0.920 52.954 52.037 -0.006 0.000 0.623 262 A CB -0.592 18.401 19.000 -0.011 0.000 0.818 262 A HN 0.330 nan 8.150 nan 0.000 0.443 263 I N -0.075 120.491 120.570 -0.006 0.000 2.394 263 I HA -0.199 3.971 4.170 0.000 0.000 0.251 263 I C 3.038 179.150 176.117 -0.008 0.000 1.136 263 I CA 1.432 62.727 61.300 -0.008 0.000 1.425 263 I CB -0.278 37.719 38.000 -0.004 0.000 1.079 263 I HN 0.405 nan 8.210 nan 0.000 0.425 264 K N 0.786 121.184 120.400 -0.003 0.000 2.103 264 K HA -0.222 4.098 4.320 0.000 0.000 0.207 264 K C 1.670 178.267 176.600 -0.004 0.000 1.048 264 K CA 2.273 58.558 56.287 -0.003 0.000 0.930 264 K CB -1.517 30.984 32.500 0.002 0.000 0.716 264 K HN 0.524 nan 8.250 nan 0.000 0.444 265 N N -0.589 118.109 118.700 -0.003 0.000 2.216 265 N HA -0.082 4.658 4.740 0.000 0.000 0.183 265 N C 1.952 177.459 175.510 -0.006 0.000 1.017 265 N CA 1.417 54.465 53.050 -0.003 0.000 0.861 265 N CB 0.075 38.561 38.487 -0.002 0.000 0.986 265 N HN 0.429 nan 8.380 nan 0.000 0.428 266 T N 0.889 115.438 114.554 -0.009 0.000 2.849 266 T HA -0.070 4.280 4.350 0.000 0.000 0.270 266 T C 1.677 176.370 174.700 -0.013 0.000 1.066 266 T CA 0.826 62.919 62.100 -0.012 0.000 1.130 266 T CB -0.064 68.795 68.868 -0.015 0.000 0.864 266 T HN 0.209 nan 8.240 nan 0.000 0.481 267 L N 0.264 121.480 121.223 -0.013 0.000 2.416 267 L HA 0.100 4.441 4.340 0.000 0.000 0.216 267 L C 0.986 177.851 176.870 -0.009 0.000 1.098 267 L CA 0.223 55.055 54.840 -0.014 0.000 0.840 267 L CB -0.566 41.483 42.059 -0.018 0.000 0.981 267 L HN 0.071 nan 8.230 nan 0.000 0.462 268 T N 1.402 115.953 114.554 -0.006 0.000 2.778 268 T HA 0.155 4.505 4.350 0.000 0.000 0.282 268 T C 1.138 175.838 174.700 -0.000 0.000 0.983 268 T CA 1.034 63.133 62.100 -0.002 0.000 1.193 268 T CB 0.272 69.139 68.868 -0.001 0.000 0.938 268 T HN 0.615 nan 8.240 nan 0.000 0.523 269 G N 3.857 112.659 108.800 0.003 0.000 2.179 269 G HA2 -0.321 3.640 3.960 0.000 0.000 0.257 269 G HA3 -0.321 3.640 3.960 0.000 0.000 0.257 269 G C 0.759 175.663 174.900 0.007 0.000 1.010 269 G CA 0.472 45.576 45.100 0.007 0.000 0.736 269 G HN 0.736 nan 8.290 nan 0.000 0.513 270 R N -1.224 119.278 120.500 0.004 0.000 2.487 270 R HA 0.322 4.662 4.340 0.000 0.000 0.272 270 R C 0.498 176.801 176.300 0.004 0.000 0.928 270 R CA -0.154 55.947 56.100 0.002 0.000 1.077 270 R CB 0.744 31.042 30.300 -0.004 0.000 1.265 270 R HN 0.372 nan 8.270 nan 0.000 0.537 271 I N 0.297 120.870 120.570 0.005 0.000 2.404 271 I HA 0.313 4.483 4.170 0.000 0.000 0.293 271 I C -0.276 175.860 176.117 0.031 0.000 0.992 271 I CA -0.456 60.849 61.300 0.009 0.000 1.149 271 I CB 1.745 39.739 38.000 -0.010 0.000 1.315 271 I HN -0.165 nan 8.210 nan 0.000 0.446 272 S N 4.948 120.684 115.700 0.059 0.000 2.609 272 S HA 0.383 4.854 4.470 0.000 0.000 0.250 272 S C -0.837 173.886 174.600 0.205 0.000 1.112 272 S CA -0.363 57.919 58.200 0.137 0.000 1.102 272 S CB -0.189 63.072 63.200 0.102 0.000 1.124 272 S HN 0.765 nan 8.310 nan 0.000 0.460 273 H N 2.070 121.132 119.070 -0.013 0.000 2.702 273 H HA -0.168 4.388 4.556 0.001 0.000 0.328 273 H C 1.209 176.523 175.328 -0.023 0.000 1.111 273 H CA 1.565 57.601 56.048 -0.020 0.000 1.109 273 H CB -1.341 28.413 29.762 -0.013 0.000 1.606 273 H HN 1.460 nan 8.280 nan 0.000 0.399 274 G N 0.367 109.173 108.800 0.010 0.000 2.258 274 G HA2 -0.319 3.641 3.960 0.000 0.000 0.274 274 G HA3 -0.319 3.641 3.960 0.000 0.000 0.274 274 G C 0.120 175.095 174.900 0.125 0.000 1.021 274 G CA 0.788 45.881 45.100 -0.011 0.000 0.798 274 G HN 0.820 nan 8.290 nan 0.000 0.507 275 Q N -1.442 118.418 119.800 0.099 0.000 2.327 275 Q HA 0.474 4.815 4.340 0.000 0.000 0.265 275 Q C -0.351 175.679 176.000 0.051 0.000 0.993 275 Q CA -0.813 55.048 55.803 0.097 0.000 0.885 275 Q CB 2.410 31.210 28.738 0.103 0.000 1.379 275 Q HN 0.256 nan 8.270 nan 0.000 0.408 276 V N 2.988 122.917 119.914 0.025 0.000 2.655 276 V HA 0.057 4.178 4.120 0.000 0.000 0.300 276 V C -0.440 175.661 176.094 0.011 0.000 1.044 276 V CA 0.800 63.103 62.300 0.006 0.000 1.095 276 V CB 1.258 33.073 31.823 -0.013 0.000 0.952 276 V HN 0.680 nan 8.190 nan 0.000 0.485 277 D N 5.172 125.578 120.400 0.009 0.000 2.453 277 D HA 0.336 4.977 4.640 0.000 0.000 0.238 277 D C 0.114 176.418 176.300 0.006 0.000 1.088 277 D CA -0.203 53.803 54.000 0.011 0.000 0.854 277 D CB 1.346 42.156 40.800 0.016 0.000 1.076 277 D HN 0.429 nan 8.370 nan 0.000 0.533 278 L N 2.590 123.817 121.223 0.007 0.000 3.016 278 L HA 0.032 4.372 4.340 0.000 0.000 0.267 278 L C 1.951 178.825 176.870 0.006 0.000 1.182 278 L CA 0.000 54.844 54.840 0.007 0.000 0.997 278 L CB 0.367 42.432 42.059 0.010 0.000 1.354 278 L HN 0.300 nan 8.230 nan 0.000 0.569 279 S N -0.216 115.487 115.700 0.005 0.000 2.571 279 S HA -0.211 4.259 4.470 0.000 0.000 0.245 279 S C 1.456 176.057 174.600 0.002 0.000 0.976 279 S CA 1.275 59.477 58.200 0.003 0.000 0.954 279 S CB -0.365 62.836 63.200 0.001 0.000 0.756 279 S HN 0.704 nan 8.310 nan 0.000 0.535 280 E N 1.095 121.296 120.200 0.002 0.000 2.338 280 E HA -0.025 4.325 4.350 0.000 0.000 0.197 280 E C 1.673 178.273 176.600 0.001 0.000 1.007 280 E CA 0.766 57.167 56.400 0.001 0.000 0.849 280 E CB -0.592 29.108 29.700 0.000 0.000 0.774 280 E HN 0.569 nan 8.360 nan 0.000 0.506 281 L N 0.624 121.848 121.223 0.002 0.000 2.395 281 L HA 0.150 4.490 4.340 0.000 0.000 0.218 281 L C 1.107 177.979 176.870 0.002 0.000 1.130 281 L CA 0.522 55.364 54.840 0.003 0.000 0.826 281 L CB -0.499 41.563 42.059 0.006 0.000 0.941 281 L HN 0.371 nan 8.230 nan 0.000 0.451 282 G N -0.276 108.525 108.800 0.002 0.000 2.663 282 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 282 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 282 G C -2.359 172.543 174.900 0.002 0.000 1.288 282 G CA -0.466 44.635 45.100 0.002 0.000 0.836 282 G HN -0.033 nan 8.290 nan 0.000 0.584 283 P HA 0.101 nan 4.420 nan 0.000 0.236 283 P C 1.706 179.008 177.300 0.003 0.000 1.177 283 P CA 1.876 64.977 63.100 0.002 0.000 0.773 283 P CB -0.223 31.477 31.700 0.001 0.000 0.878 284 N N 0.600 119.302 118.700 0.003 0.000 2.250 284 N HA 0.006 4.747 4.740 0.000 0.000 0.181 284 N C 1.931 177.444 175.510 0.005 0.000 1.017 284 N CA 1.071 54.124 53.050 0.004 0.000 0.866 284 N CB -1.154 nan 38.487 nan 0.000 0.985 284 N HN 0.160 nan 8.380 nan 0.000 0.429 285 A N 0.650 123.473 122.820 0.005 0.000 2.070 285 A HA -0.042 4.279 4.320 0.000 0.000 0.220 285 A C 1.644 179.233 177.584 0.008 0.000 1.159 285 A CA 1.785 53.826 52.037 0.007 0.000 0.656 285 A CB -0.318 18.686 19.000 0.006 0.000 0.800 285 A HN 0.481 nan 8.150 nan 0.000 0.453 286 D N -0.617 119.787 120.400 0.007 0.000 2.194 286 D HA 0.113 4.753 4.640 0.000 0.000 0.204 286 D C 2.254 178.558 176.300 0.007 0.000 0.964 286 D CA 1.455 55.459 54.000 0.007 0.000 0.846 286 D CB -0.163 40.640 40.800 0.006 0.000 0.962 286 D HN 0.611 nan 8.370 nan 0.000 0.490 287 E N 0.600 120.804 120.200 0.007 0.000 2.216 287 E HA 0.076 4.427 4.350 0.000 0.000 0.192 287 E C 2.313 178.918 176.600 0.008 0.000 0.988 287 E CA 1.141 57.545 56.400 0.007 0.000 0.834 287 E CB -1.256 28.448 29.700 0.006 0.000 0.772 287 E HN 0.338 nan 8.360 nan 0.000 0.479 288 L N 0.077 121.306 121.223 0.009 0.000 2.023 288 L HA 0.265 4.605 4.340 0.000 0.000 0.205 288 L C 2.925 179.801 176.870 0.011 0.000 1.073 288 L CA 1.822 56.669 54.840 0.011 0.000 0.745 288 L CB -1.294 40.772 42.059 0.012 0.000 0.900 288 L HN 0.485 nan 8.230 nan 0.000 0.435 289 L N -0.542 120.687 121.223 0.010 0.000 2.191 289 L HA -0.177 4.163 4.340 0.000 0.000 0.212 289 L C 2.916 179.792 176.870 0.009 0.000 1.103 289 L CA 1.542 56.387 54.840 0.009 0.000 0.769 289 L CB -0.512 41.556 42.059 0.014 0.000 0.908 289 L HN 0.584 nan 8.230 nan 0.000 0.438 290 S N -0.044 115.662 115.700 0.009 0.000 2.447 290 S HA -0.138 4.333 4.470 0.000 0.000 0.233 290 S C 2.148 176.753 174.600 0.008 0.000 1.006 290 S CA 1.557 59.762 58.200 0.008 0.000 0.957 290 S CB 0.014 63.219 63.200 0.007 0.000 0.773 290 S HN 0.505 nan 8.310 nan 0.000 0.507 291 K N 0.378 120.783 120.400 0.008 0.000 2.356 291 K HA 0.385 4.705 4.320 0.000 0.000 0.195 291 K C 0.592 177.198 176.600 0.010 0.000 1.037 291 K CA 0.496 56.788 56.287 0.009 0.000 1.014 291 K CB -0.600 31.906 32.500 0.009 0.000 0.815 291 K HN 0.288 nan 8.250 nan 0.000 0.507 292 V N 2.067 121.986 119.914 0.009 0.000 2.493 292 V HA 0.333 4.454 4.120 0.000 0.000 0.292 292 V C 1.572 177.671 176.094 0.009 0.000 1.016 292 V CA 0.985 63.289 62.300 0.008 0.000 1.097 292 V CB 0.576 32.392 31.823 -0.012 0.000 0.947 292 V HN 0.675 nan 8.190 nan 0.000 0.479 293 E N 3.665 123.880 120.200 0.026 0.000 2.511 293 E HA 0.138 4.489 4.350 0.000 0.000 0.209 293 E C 0.554 177.202 176.600 0.081 0.000 0.986 293 E CA 0.085 56.508 56.400 0.038 0.000 0.974 293 E CB 0.420 30.140 29.700 0.033 0.000 1.030 293 E HN 0.843 nan 8.360 nan 0.000 0.490 294 H N -1.085 117.961 119.070 -0.040 0.000 3.038 294 H HA 0.523 5.079 4.556 0.000 0.000 0.362 294 H C -1.715 173.571 175.328 -0.071 0.000 1.167 294 H CA -0.637 55.382 56.048 -0.048 0.000 1.197 294 H CB 1.499 31.244 29.762 -0.029 0.000 1.840 294 H HN 0.123 nan 8.280 nan 0.000 0.540 295 I N 3.949 124.084 120.570 -0.725 0.000 2.330 295 I HA 0.085 4.256 4.170 0.000 0.000 0.289 295 I C -0.279 175.552 176.117 -0.476 0.000 1.001 295 I CA -0.569 60.415 61.300 -0.526 0.000 1.193 295 I CB 1.721 39.313 38.000 -0.680 0.000 1.345 295 I HN 0.386 nan 8.210 nan 0.000 0.461 296 Q N 7.494 127.242 119.800 -0.086 0.000 2.314 296 Q HA 0.543 4.883 4.340 0.000 0.000 0.259 296 Q C -1.241 174.666 176.000 -0.156 0.000 0.951 296 Q CA -0.219 55.575 55.803 -0.015 0.000 0.909 296 Q CB 1.234 30.067 28.738 0.158 0.000 1.236 296 Q HN 0.542 nan 8.270 nan 0.000 0.444 297 I N 5.297 125.778 120.570 -0.148 0.000 2.359 297 I HA 0.387 4.557 4.170 0.000 0.000 0.294 297 I C -0.561 175.465 176.117 -0.152 0.000 0.987 297 I CA -0.866 60.353 61.300 -0.133 0.000 1.225 297 I CB 1.047 39.006 38.000 -0.068 0.000 1.366 297 I HN 0.490 nan 8.210 nan 0.000 0.466 298 L N 5.872 126.993 121.223 -0.170 0.000 2.381 298 L HA 0.849 5.190 4.340 0.000 0.000 0.274 298 L C -0.225 176.617 176.870 -0.046 0.000 0.988 298 L CA -0.371 54.377 54.840 -0.155 0.000 0.824 298 L CB 1.784 43.672 42.059 -0.286 0.000 1.263 298 L HN 0.798 nan 8.230 nan 0.000 0.410 299 A N 2.158 125.003 122.820 0.042 0.000 2.568 299 A HA 0.847 5.167 4.320 0.000 0.000 0.291 299 A C -1.515 176.116 177.584 0.079 0.000 1.159 299 A CA -0.440 51.636 52.037 0.065 0.000 0.679 299 A CB 1.673 20.731 19.000 0.097 0.000 1.285 299 A HN 0.657 nan 8.150 nan 0.000 0.428 300 C N -0.582 118.759 119.300 0.069 0.000 2.614 300 C HA 0.886 5.346 4.460 0.000 0.000 0.320 300 C C 1.355 176.397 174.990 0.087 0.000 1.200 300 C CA 0.416 59.456 59.018 0.036 0.000 1.700 300 C CB 0.568 28.312 27.740 0.008 0.000 2.275 300 C HN 2.468 nan 8.230 nan 0.000 0.492 301 G N 2.260 111.097 108.800 0.062 0.000 2.611 301 G HA2 -0.315 3.645 3.960 0.000 0.000 0.301 301 G HA3 -0.315 3.645 3.960 0.000 0.000 0.301 301 G C 0.955 175.920 174.900 0.108 0.000 1.233 301 G CA 0.886 46.025 45.100 0.065 0.000 0.993 301 G HN 0.766 nan 8.290 nan 0.000 0.553 302 T N 0.892 115.475 114.554 0.048 0.000 2.867 302 T HA 0.012 4.362 4.350 0.000 0.000 0.268 302 T C 2.765 177.564 174.700 0.164 0.000 1.057 302 T CA 2.105 64.219 62.100 0.023 0.000 1.136 302 T CB -0.382 68.451 68.868 -0.058 0.000 0.874 302 T HN 0.508 nan 8.240 nan 0.000 0.466 303 S N 0.313 116.105 115.700 0.153 0.000 2.419 303 S HA -0.091 4.380 4.470 0.000 0.000 0.233 303 S C 1.594 176.283 174.600 0.148 0.000 1.016 303 S CA 0.689 58.979 58.200 0.150 0.000 0.974 303 S CB -0.374 62.886 63.200 0.100 0.000 0.786 303 S HN 0.663 nan 8.310 nan 0.000 0.492 304 Y N 3.152 123.471 120.300 0.033 0.000 2.314 304 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 304 Y C 1.800 177.711 175.900 0.018 0.000 1.129 304 Y CA 1.109 59.215 58.100 0.010 0.000 1.201 304 Y CB -0.429 38.026 38.460 -0.008 0.000 0.999 304 Y HN 0.183 nan 8.280 nan 0.000 0.541 305 N N -0.049 118.629 118.700 -0.036 0.000 2.142 305 N HA -0.167 4.573 4.740 0.000 0.000 0.186 305 N C 2.120 177.639 175.510 0.015 0.000 1.023 305 N CA 1.677 54.670 53.050 -0.095 0.000 0.852 305 N CB -0.817 37.658 38.487 -0.021 0.000 0.998 305 N HN 0.523 nan 8.380 nan 0.000 0.424 306 S N -0.186 115.615 115.700 0.169 0.000 2.423 306 S HA -0.021 4.449 4.470 0.000 0.000 0.231 306 S C 2.098 176.593 174.600 -0.176 0.000 1.014 306 S CA 1.130 59.255 58.200 -0.125 0.000 0.965 306 S CB -0.794 62.248 63.200 -0.262 0.000 0.785 306 S HN 0.345 nan 8.310 nan 0.000 0.495 307 G N 1.468 110.191 108.800 -0.130 0.000 2.408 307 G HA2 -0.021 3.940 3.960 0.000 0.000 0.217 307 G HA3 -0.021 3.940 3.960 0.000 0.000 0.217 307 G C 1.521 176.308 174.900 -0.187 0.000 1.150 307 G CA 0.793 45.818 45.100 -0.126 0.000 0.776 307 G HN 0.426 nan 8.290 nan 0.000 0.542 308 M N 0.392 119.813 119.600 -0.300 0.000 2.254 308 M HA 0.007 4.487 4.480 0.000 0.000 0.265 308 M C 2.713 178.938 176.300 -0.123 0.000 1.066 308 M CA 0.664 55.805 55.300 -0.265 0.000 1.123 308 M CB -0.472 31.881 32.600 -0.411 0.000 1.388 308 M HN 0.118 nan 8.290 nan 0.000 0.425 309 V N 0.704 120.465 119.914 -0.254 0.000 2.233 309 V HA -0.276 3.845 4.120 0.000 0.000 0.247 309 V C 2.575 178.320 176.094 -0.581 0.000 1.050 309 V CA 2.279 64.297 62.300 -0.471 0.000 1.010 309 V CB -1.355 30.049 31.823 -0.699 0.000 0.637 309 V HN 0.603 nan 8.190 nan 0.000 0.444 310 S N 0.705 116.110 115.700 -0.491 0.000 2.440 310 S HA -0.330 4.141 4.470 0.000 0.000 0.240 310 S C 2.073 176.702 174.600 0.048 0.000 1.014 310 S CA 2.025 60.074 58.200 -0.251 0.000 0.980 310 S CB -0.698 62.509 63.200 0.011 0.000 0.775 310 S HN 0.612 nan 8.310 nan 0.000 0.499 311 R N -0.392 120.133 120.500 0.042 0.000 2.081 311 R HA -0.098 4.242 4.340 0.000 0.000 0.235 311 R C 1.919 178.219 176.300 0.001 0.000 1.131 311 R CA 1.685 57.816 56.100 0.051 0.000 0.960 311 R CB -0.492 29.756 30.300 -0.087 0.000 0.856 311 R HN 0.565 nan 8.270 nan 0.000 0.436 312 Y N -0.790 119.465 120.300 -0.076 0.000 2.181 312 Y HA -0.245 4.305 4.550 0.001 0.000 0.288 312 Y C 2.142 178.105 175.900 0.105 0.000 1.146 312 Y CA 1.268 59.355 58.100 -0.022 0.000 1.164 312 Y CB -0.330 38.067 38.460 -0.105 0.000 0.982 312 Y HN 0.171 nan 8.280 nan 0.000 0.515 313 W N -1.139 120.217 121.300 0.093 0.000 2.378 313 W HA -0.149 4.511 4.660 0.000 0.000 0.313 313 W C 2.169 178.652 176.519 -0.060 0.000 1.197 313 W CA 0.689 57.998 57.345 -0.060 0.000 1.304 313 W CB -1.655 27.662 29.460 -0.237 0.000 1.148 313 W HN 0.049 nan 8.180 nan 0.000 0.494 314 F N 1.003 121.088 119.950 0.225 0.000 2.095 314 F HA -0.207 4.320 4.527 0.000 0.000 0.298 314 F C 2.368 178.200 175.800 0.055 0.000 1.104 314 F CA 1.758 59.816 58.000 0.097 0.000 1.232 314 F CB -1.030 37.989 39.000 0.031 0.000 0.987 314 F HN -0.026 nan 8.300 nan 0.000 0.475 315 E N -0.394 119.940 120.200 0.224 0.000 2.028 315 E HA -0.149 4.202 4.350 0.000 0.000 0.190 315 E C 2.376 179.042 176.600 0.111 0.000 0.984 315 E CA 1.666 58.137 56.400 0.117 0.000 0.800 315 E CB -0.425 29.300 29.700 0.043 0.000 0.758 315 E HN 0.409 nan 8.360 nan 0.000 0.448 316 S N 0.563 116.343 115.700 0.133 0.000 2.414 316 S HA 0.008 4.478 4.470 0.000 0.000 0.227 316 S C 2.031 176.694 174.600 0.105 0.000 1.022 316 S CA 0.490 58.764 58.200 0.123 0.000 0.958 316 S CB -0.182 63.115 63.200 0.162 0.000 0.797 316 S HN 0.125 nan 8.310 nan 0.000 0.493 317 L N -0.063 121.228 121.223 0.114 0.000 2.470 317 L HA 0.452 4.793 4.340 0.000 0.000 0.219 317 L C 2.455 179.356 176.870 0.052 0.000 1.071 317 L CA 0.809 55.684 54.840 0.059 0.000 0.850 317 L CB -0.259 41.809 42.059 0.014 0.000 1.040 317 L HN 0.460 nan 8.230 nan 0.000 0.475 318 A N -0.498 122.379 122.820 0.096 0.000 2.419 318 A HA 0.438 4.758 4.320 0.000 0.000 0.233 318 A C 1.542 179.181 177.584 0.092 0.000 1.217 318 A CA 0.509 52.608 52.037 0.103 0.000 0.944 318 A CB 0.157 19.268 19.000 0.186 0.000 1.025 318 A HN 0.368 nan 8.150 nan 0.000 0.524 319 G N 0.070 108.922 108.800 0.086 0.000 2.305 319 G HA2 -0.245 3.716 3.960 0.000 0.000 0.287 319 G HA3 -0.245 3.716 3.960 0.000 0.000 0.287 319 G C -0.052 174.882 174.900 0.057 0.000 1.036 319 G CA 0.802 45.941 45.100 0.064 0.000 0.887 319 G HN 0.531 nan 8.290 nan 0.000 0.505 320 I N 0.672 121.284 120.570 0.070 0.000 2.382 320 I HA 0.287 4.458 4.170 0.000 0.000 0.286 320 I C -2.132 173.971 176.117 -0.025 0.000 1.002 320 I CA -2.671 58.639 61.300 0.017 0.000 1.135 320 I CB 2.174 40.164 38.000 -0.015 0.000 1.288 320 I HN -0.181 nan 8.210 nan 0.000 0.448 321 P HA -0.081 nan 4.420 nan 0.000 0.260 321 P C -0.777 176.362 177.300 -0.268 0.000 1.185 321 P CA 0.036 63.118 63.100 -0.029 0.000 0.763 321 P CB 0.222 32.008 31.700 0.142 0.000 0.776 322 C N 5.126 124.318 119.300 -0.179 0.000 2.408 322 C HA 0.467 4.927 4.460 0.000 0.000 0.321 322 C C -1.066 173.861 174.990 -0.106 0.000 1.245 322 C CA -0.345 58.528 59.018 -0.243 0.000 1.523 322 C CB 0.433 28.119 27.740 -0.089 0.000 2.178 322 C HN 0.540 nan 8.230 nan 0.000 0.488 323 D N 4.238 124.587 120.400 -0.084 0.000 2.619 323 D HA 0.563 5.203 4.640 0.000 0.000 0.241 323 D C -0.944 175.361 176.300 0.009 0.000 1.087 323 D CA -0.106 53.913 54.000 0.032 0.000 0.851 323 D CB 2.238 43.130 40.800 0.153 0.000 1.474 323 D HN 0.387 nan 8.370 nan 0.000 0.478 324 V N 0.511 120.445 119.914 0.033 0.000 2.628 324 V HA 0.617 4.737 4.120 0.000 0.000 0.306 324 V C -0.078 176.131 176.094 0.193 0.000 1.045 324 V CA -0.730 61.604 62.300 0.058 0.000 0.905 324 V CB 2.339 34.149 31.823 -0.022 0.000 0.997 324 V HN 0.571 nan 8.190 nan 0.000 0.436 325 E N 2.374 122.703 120.200 0.215 0.000 2.372 325 E HA 0.507 4.858 4.350 0.000 0.000 0.279 325 E C -1.016 175.629 176.600 0.075 0.000 0.946 325 E CA -0.985 55.533 56.400 0.197 0.000 0.769 325 E CB 2.353 32.132 29.700 0.131 0.000 1.230 325 E HN 0.792 nan 8.360 nan 0.000 0.442 326 I N 1.142 121.609 120.570 -0.171 0.000 2.710 326 I HA 0.228 4.399 4.170 0.000 0.000 0.286 326 I C 1.118 177.203 176.117 -0.053 0.000 1.181 326 I CA 0.049 61.195 61.300 -0.257 0.000 1.430 326 I CB 1.177 38.923 38.000 -0.423 0.000 1.367 326 I HN 0.615 nan 8.210 nan 0.000 0.577 327 A N 4.400 127.196 122.820 -0.039 0.000 1.972 327 A HA -0.153 4.167 4.320 0.000 0.000 0.219 327 A C 2.344 179.930 177.584 0.004 0.000 1.169 327 A CA 1.860 53.903 52.037 0.010 0.000 0.635 327 A CB -1.003 17.987 19.000 -0.017 0.000 0.810 327 A HN 0.991 nan 8.150 nan 0.000 0.446 328 S N -0.782 114.903 115.700 -0.025 0.000 2.447 328 S HA -0.097 4.373 4.470 0.000 0.000 0.233 328 S C 1.524 176.143 174.600 0.032 0.000 1.006 328 S CA 1.273 59.465 58.200 -0.014 0.000 0.957 328 S CB -0.126 63.079 63.200 0.007 0.000 0.773 328 S HN 0.545 nan 8.310 nan 0.000 0.507 329 E N 0.455 120.680 120.200 0.042 0.000 2.127 329 E HA 0.181 4.531 4.350 0.000 0.000 0.191 329 E C 1.576 178.226 176.600 0.084 0.000 0.964 329 E CA 0.291 56.738 56.400 0.078 0.000 0.832 329 E CB -0.531 29.205 29.700 0.059 0.000 0.790 329 E HN 0.633 nan 8.360 nan 0.000 0.465 330 F N 3.290 123.214 119.950 -0.044 0.000 2.126 330 F HA -0.219 4.308 4.527 0.000 0.000 0.299 330 F C 2.422 178.168 175.800 -0.089 0.000 1.096 330 F CA 1.987 59.964 58.000 -0.040 0.000 1.255 330 F CB 0.063 39.040 39.000 -0.039 0.000 0.997 330 F HN -0.065 nan 8.300 nan 0.000 0.479 331 R N -1.261 119.148 120.500 -0.151 0.000 2.241 331 R HA -0.186 4.154 4.340 0.000 0.000 0.224 331 R C 0.532 176.511 176.300 -0.534 0.000 1.101 331 R CA 1.757 57.613 56.100 -0.406 0.000 0.995 331 R CB -0.818 29.175 30.300 -0.512 0.000 0.870 331 R HN 0.392 nan 8.270 nan 0.000 0.463 332 Y N 0.933 121.160 120.300 -0.122 0.000 2.527 332 Y HA 0.302 4.852 4.550 0.000 0.000 0.247 332 Y C -0.008 175.819 175.900 -0.121 0.000 1.138 332 Y CA -1.105 56.934 58.100 -0.102 0.000 1.228 332 Y CB 0.462 38.886 38.460 -0.059 0.000 1.252 332 Y HN 0.058 nan 8.280 nan 0.000 0.531 333 R N 0.070 120.528 120.500 -0.070 0.000 2.486 333 R HA 0.407 4.748 4.340 0.000 0.000 0.286 333 R C -0.178 176.041 176.300 -0.135 0.000 0.999 333 R CA -0.900 55.155 56.100 -0.075 0.000 0.993 333 R CB 1.224 31.496 30.300 -0.046 0.000 1.084 333 R HN -0.156 nan 8.270 nan 0.000 0.487 334 K N 2.676 123.033 120.400 -0.072 0.000 2.167 334 K HA 0.043 4.363 4.320 0.000 0.000 0.275 334 K C -0.489 176.073 176.600 -0.063 0.000 1.103 334 K CA 0.001 56.248 56.287 -0.068 0.000 0.963 334 K CB 0.343 32.822 32.500 -0.036 0.000 1.243 334 K HN 0.807 nan 8.250 nan 0.000 0.407 335 S N 1.430 117.075 115.700 -0.092 0.000 2.632 335 S HA 0.497 4.968 4.470 0.000 0.000 0.271 335 S C -0.035 174.560 174.600 -0.008 0.000 1.260 335 S CA -1.075 57.107 58.200 -0.029 0.000 1.010 335 S CB 1.792 64.997 63.200 0.009 0.000 0.965 335 S HN 0.464 nan 8.310 nan 0.000 0.534 336 A N 1.974 124.795 122.820 0.001 0.000 2.269 336 A HA 0.576 4.896 4.320 0.000 0.000 0.302 336 A C -0.293 177.258 177.584 -0.056 0.000 1.266 336 A CA -0.777 51.243 52.037 -0.029 0.000 0.894 336 A CB 0.030 19.011 19.000 -0.031 0.000 1.147 336 A HN 0.822 nan 8.150 nan 0.000 0.537 337 V N 4.900 124.753 119.914 -0.101 0.000 2.368 337 V HA 0.167 4.287 4.120 0.000 0.000 0.266 337 V C 0.599 176.536 176.094 -0.261 0.000 1.045 337 V CA -0.460 61.711 62.300 -0.216 0.000 0.899 337 V CB 0.322 31.976 31.823 -0.281 0.000 1.006 337 V HN 0.957 nan 8.190 nan 0.000 0.470 338 R N 3.956 124.268 120.500 -0.313 0.000 2.698 338 R HA 0.158 4.499 4.340 0.000 0.000 0.266 338 R C 0.623 176.777 176.300 -0.243 0.000 1.026 338 R CA 0.134 56.051 56.100 -0.305 0.000 1.102 338 R CB 0.149 30.136 30.300 -0.521 0.000 0.978 338 R HN 0.549 nan 8.270 nan 0.000 0.436 339 R N 2.660 123.067 120.500 -0.155 0.000 2.643 339 R HA -0.023 4.317 4.340 0.000 0.000 0.270 339 R C -0.054 176.206 176.300 -0.066 0.000 1.061 339 R CA -0.098 55.940 56.100 -0.103 0.000 1.107 339 R CB 0.270 30.530 30.300 -0.066 0.000 0.999 339 R HN 0.690 nan 8.270 nan 0.000 0.460 340 N N 0.885 119.556 118.700 -0.048 0.000 2.689 340 N HA -0.198 4.542 4.740 0.000 0.000 0.263 340 N C -0.768 174.760 175.510 0.030 0.000 0.987 340 N CA 0.961 54.006 53.050 -0.007 0.000 0.782 340 N CB -0.430 38.059 38.487 0.004 0.000 0.903 340 N HN 0.469 nan 8.380 nan 0.000 0.547 341 S N 0.324 116.041 115.700 0.029 0.000 2.489 341 S HA 0.594 5.065 4.470 0.000 0.000 0.291 341 S C -0.243 174.516 174.600 0.264 0.000 1.151 341 S CA -0.853 57.439 58.200 0.154 0.000 1.082 341 S CB 1.436 64.681 63.200 0.074 0.000 1.019 341 S HN 0.342 nan 8.310 nan 0.000 0.492 342 L N 5.676 127.012 121.223 0.188 0.000 2.280 342 L HA 0.650 4.991 4.340 0.000 0.000 0.287 342 L C -0.367 176.521 176.870 0.029 0.000 1.023 342 L CA -0.496 54.401 54.840 0.095 0.000 0.819 342 L CB 1.239 43.285 42.059 -0.021 0.000 1.212 342 L HN 0.840 nan 8.230 nan 0.000 0.420 343 M N 6.609 126.187 119.600 -0.037 0.000 2.143 343 M HA 0.424 4.904 4.480 0.000 0.000 0.348 343 M C -1.284 174.923 176.300 -0.154 0.000 1.375 343 M CA 0.536 55.706 55.300 -0.217 0.000 1.124 343 M CB 0.079 32.425 32.600 -0.424 0.000 1.669 343 M HN 0.496 nan 8.290 nan 0.000 0.469 344 I N 5.377 125.854 120.570 -0.155 0.000 2.362 344 I HA 0.374 4.545 4.170 0.000 0.000 0.289 344 I C -0.051 176.001 176.117 -0.110 0.000 0.994 344 I CA -0.600 60.636 61.300 -0.107 0.000 1.158 344 I CB 1.802 39.755 38.000 -0.078 0.000 1.315 344 I HN 0.764 nan 8.210 nan 0.000 0.451 345 T N 4.867 119.368 114.554 -0.087 0.000 2.875 345 T HA 0.720 5.071 4.350 0.000 0.000 0.284 345 T C -0.496 174.186 174.700 -0.030 0.000 0.995 345 T CA -0.725 61.334 62.100 -0.068 0.000 1.060 345 T CB 1.418 70.246 68.868 -0.067 0.000 0.967 345 T HN 0.314 nan 8.240 nan 0.000 0.476 346 L N 2.420 123.635 121.223 -0.013 0.000 2.333 346 L HA 0.696 5.037 4.340 0.000 0.000 0.280 346 L C -0.030 176.849 176.870 0.015 0.000 1.004 346 L CA -0.569 54.275 54.840 0.006 0.000 0.820 346 L CB 2.063 44.131 42.059 0.016 0.000 1.247 346 L HN 0.908 nan 8.230 nan 0.000 0.416 347 S N 1.910 117.619 115.700 0.015 0.000 2.605 347 S HA 0.124 4.595 4.470 0.000 0.000 0.279 347 S C 0.222 174.836 174.600 0.023 0.000 1.166 347 S CA -0.532 57.682 58.200 0.022 0.000 0.975 347 S CB 1.639 64.847 63.200 0.012 0.000 1.111 347 S HN 0.707 nan 8.310 nan 0.000 0.465 348 Q N 3.084 122.905 119.800 0.035 0.000 2.014 348 Q HA -0.130 4.210 4.340 0.000 0.000 0.207 348 Q C 1.854 177.869 176.000 0.026 0.000 0.993 348 Q CA 2.928 58.750 55.803 0.033 0.000 0.850 348 Q CB -0.584 28.180 28.738 0.044 0.000 0.916 348 Q HN 0.898 nan 8.270 nan 0.000 0.417 349 S N -1.754 113.966 115.700 0.033 0.000 2.446 349 S HA 0.116 4.587 4.470 0.000 0.000 0.225 349 S C 1.471 176.081 174.600 0.017 0.000 1.016 349 S CA 1.090 59.309 58.200 0.032 0.000 0.943 349 S CB 0.007 63.234 63.200 0.046 0.000 0.786 349 S HN 0.681 nan 8.310 nan 0.000 0.508 350 G N 0.690 109.497 108.800 0.012 0.000 2.153 350 G HA2 -0.219 3.741 3.960 0.000 0.000 0.252 350 G HA3 -0.219 3.741 3.960 0.000 0.000 0.252 350 G C 0.443 175.344 174.900 0.002 0.000 0.994 350 G CA 0.543 45.644 45.100 0.002 0.000 0.698 350 G HN 0.497 nan 8.290 nan 0.000 0.521 351 E N -0.436 119.769 120.200 0.009 0.000 2.676 351 E HA 0.172 4.523 4.350 0.000 0.000 0.225 351 E C 0.803 177.408 176.600 0.008 0.000 0.944 351 E CA 0.358 56.763 56.400 0.008 0.000 1.156 351 E CB 0.287 29.996 29.700 0.014 0.000 1.117 351 E HN 0.331 nan 8.360 nan 0.000 0.523 352 T N 1.373 115.933 114.554 0.010 0.000 2.793 352 T HA 0.167 4.517 4.350 0.000 0.000 0.289 352 T C 1.442 176.138 174.700 -0.006 0.000 0.956 352 T CA 0.542 62.646 62.100 0.007 0.000 1.177 352 T CB 1.192 70.069 68.868 0.014 0.000 0.897 352 T HN 0.148 nan 8.240 nan 0.000 0.533 353 A N 4.226 127.038 122.820 -0.013 0.000 1.884 353 A HA -0.190 4.130 4.320 0.000 0.000 0.219 353 A C 2.154 179.721 177.584 -0.028 0.000 1.197 353 A CA 1.752 53.778 52.037 -0.018 0.000 0.637 353 A CB -0.504 18.482 19.000 -0.024 0.000 0.827 353 A HN 0.757 nan 8.150 nan 0.000 0.450 354 D N -0.882 119.497 120.400 -0.034 0.000 2.149 354 D HA -0.089 4.551 4.640 0.000 0.000 0.198 354 D C 2.062 178.336 176.300 -0.042 0.000 0.990 354 D CA 1.856 55.825 54.000 -0.052 0.000 0.839 354 D CB -0.622 40.149 40.800 -0.049 0.000 0.948 354 D HN 0.474 nan 8.370 nan 0.000 0.460 355 T N 1.204 115.741 114.554 -0.027 0.000 2.812 355 T HA -0.093 4.258 4.350 0.000 0.000 0.264 355 T C 1.886 176.568 174.700 -0.031 0.000 1.042 355 T CA 0.161 62.244 62.100 -0.029 0.000 1.140 355 T CB -0.276 68.579 68.868 -0.021 0.000 0.870 355 T HN -0.000 nan 8.240 nan 0.000 0.445 356 L N 1.890 123.099 121.223 -0.024 0.000 2.013 356 L HA -0.079 4.261 4.340 0.000 0.000 0.212 356 L C 2.658 179.516 176.870 -0.021 0.000 1.073 356 L CA 2.004 56.831 54.840 -0.021 0.000 0.753 356 L CB -1.308 40.742 42.059 -0.014 0.000 0.890 356 L HN 0.275 nan 8.230 nan 0.000 0.432 357 A N -1.107 121.695 122.820 -0.030 0.000 1.972 357 A HA -0.062 4.258 4.320 0.000 0.000 0.219 357 A C 2.338 179.913 177.584 -0.015 0.000 1.169 357 A CA 1.513 53.525 52.037 -0.041 0.000 0.635 357 A CB -1.339 17.605 19.000 -0.094 0.000 0.810 357 A HN 0.528 nan 8.150 nan 0.000 0.446 358 G N -0.176 108.633 108.800 0.016 0.000 2.404 358 G HA2 -0.100 3.861 3.960 0.000 0.000 0.215 358 G HA3 -0.100 3.861 3.960 0.000 0.000 0.215 358 G C 1.473 176.405 174.900 0.054 0.000 1.174 358 G CA 1.130 46.306 45.100 0.127 0.000 0.780 358 G HN 0.493 nan 8.290 nan 0.000 0.537 359 L N 0.679 121.885 121.223 -0.028 0.000 2.017 359 L HA 0.072 4.412 4.340 0.000 0.000 0.208 359 L C 2.844 179.700 176.870 -0.024 0.000 1.073 359 L CA 1.760 56.564 54.840 -0.059 0.000 0.745 359 L CB -0.648 41.377 42.059 -0.057 0.000 0.894 359 L HN 0.130 nan 8.230 nan 0.000 0.432 360 R N -0.979 119.518 120.500 -0.006 0.000 2.091 360 R HA -0.178 4.162 4.340 0.000 0.000 0.238 360 R C 2.179 178.492 176.300 0.022 0.000 1.136 360 R CA 1.629 57.733 56.100 0.005 0.000 0.959 360 R CB -0.701 29.601 30.300 0.003 0.000 0.856 360 R HN 0.335 nan 8.270 nan 0.000 0.437 361 L N 0.853 122.096 121.223 0.034 0.000 2.083 361 L HA -0.167 4.173 4.340 0.000 0.000 0.209 361 L C 2.266 179.198 176.870 0.103 0.000 1.083 361 L CA 2.056 56.926 54.840 0.050 0.000 0.752 361 L CB -0.598 41.473 42.059 0.021 0.000 0.899 361 L HN 0.221 nan 8.230 nan 0.000 0.433 362 S N -1.113 114.639 115.700 0.087 0.000 2.382 362 S HA -0.261 4.210 4.470 0.000 0.000 0.228 362 S C 2.058 176.764 174.600 0.177 0.000 1.027 362 S CA 1.391 59.634 58.200 0.070 0.000 0.991 362 S CB -0.475 62.534 63.200 -0.318 0.000 0.823 362 S HN 0.525 nan 8.310 nan 0.000 0.469 363 K N 1.127 121.579 120.400 0.087 0.000 2.002 363 K HA -0.071 4.249 4.320 0.000 0.000 0.209 363 K C 2.463 179.119 176.600 0.093 0.000 1.048 363 K CA 1.528 57.867 56.287 0.086 0.000 0.930 363 K CB -0.293 32.234 32.500 0.045 0.000 0.714 363 K HN 0.555 nan 8.250 nan 0.000 0.438 364 E N 0.979 121.224 120.200 0.075 0.000 2.267 364 E HA -0.191 4.160 4.350 0.000 0.000 0.197 364 E C 1.419 178.062 176.600 0.073 0.000 0.998 364 E CA 0.893 57.329 56.400 0.060 0.000 0.830 364 E CB 0.110 29.836 29.700 0.042 0.000 0.751 364 E HN 0.303 nan 8.360 nan 0.000 0.491 365 L N -0.294 121.003 121.223 0.124 0.000 2.607 365 L HA 0.201 4.541 4.340 0.000 0.000 0.228 365 L C 0.887 177.818 176.870 0.102 0.000 1.123 365 L CA 0.273 55.188 54.840 0.125 0.000 0.890 365 L CB 0.351 42.537 42.059 0.212 0.000 1.103 365 L HN 0.212 nan 8.230 nan 0.000 0.468 366 G N 0.133 109.008 108.800 0.125 0.000 2.392 366 G HA2 -0.309 3.651 3.960 0.000 0.000 0.290 366 G HA3 -0.309 3.651 3.960 0.000 0.000 0.290 366 G C -0.350 174.582 174.900 0.053 0.000 1.032 366 G CA -0.246 44.901 45.100 0.080 0.000 1.269 366 G HN 0.129 nan 8.290 nan 0.000 0.511 367 Y N -0.463 119.854 120.300 0.029 0.000 2.289 367 Y HA 0.449 4.999 4.550 0.001 0.000 0.332 367 Y C 1.902 177.813 175.900 0.017 0.000 1.324 367 Y CA -0.397 57.721 58.100 0.029 0.000 1.478 367 Y CB 0.603 39.085 38.460 0.036 0.000 1.378 367 Y HN 0.221 nan 8.280 nan 0.000 0.558 368 L N -0.120 121.199 121.223 0.160 0.000 2.027 368 L HA 0.044 4.384 4.340 0.000 0.000 0.206 368 L C 0.774 177.700 176.870 0.092 0.000 1.074 368 L CA 1.972 56.865 54.840 0.089 0.000 0.745 368 L CB -0.510 41.587 42.059 0.063 0.000 0.898 368 L HN 0.870 nan 8.230 nan 0.000 0.433 369 G N -1.888 106.979 108.800 0.111 0.000 2.489 369 G HA2 0.380 4.340 3.960 0.000 0.000 0.305 369 G HA3 0.380 4.340 3.960 0.000 0.000 0.305 369 G C -1.652 173.274 174.900 0.042 0.000 1.311 369 G CA 0.257 45.396 45.100 0.065 0.000 0.813 369 G HN 0.201 nan 8.290 nan 0.000 0.480 370 S N -0.696 115.007 115.700 0.006 0.000 2.540 370 S HA 0.772 5.242 4.470 0.000 0.000 0.275 370 S C -1.217 173.367 174.600 -0.027 0.000 1.123 370 S CA -0.768 57.413 58.200 -0.031 0.000 0.907 370 S CB 2.118 65.285 63.200 -0.055 0.000 1.081 370 S HN 1.272 nan 8.310 nan 0.000 0.476 371 L N 2.200 123.400 121.223 -0.038 0.000 2.381 371 L HA 0.889 5.229 4.340 0.000 0.000 0.268 371 L C -0.915 175.937 176.870 -0.031 0.000 0.997 371 L CA -0.563 54.262 54.840 -0.025 0.000 0.818 371 L CB 1.637 43.687 42.059 -0.016 0.000 1.310 371 L HN 1.142 nan 8.230 nan 0.000 0.416 372 A N 5.902 128.710 122.820 -0.020 0.000 2.331 372 A HA 0.746 5.066 4.320 0.000 0.000 0.320 372 A C -0.906 176.673 177.584 -0.008 0.000 1.138 372 A CA -0.502 51.524 52.037 -0.020 0.000 0.790 372 A CB 0.978 19.966 19.000 -0.021 0.000 1.206 372 A HN 0.665 nan 8.150 nan 0.000 0.470 373 I N 2.257 122.824 120.570 -0.004 0.000 2.382 373 I HA 0.412 4.583 4.170 0.000 0.000 0.285 373 I C -0.589 175.527 176.117 -0.001 0.000 1.007 373 I CA -0.257 61.044 61.300 0.003 0.000 1.142 373 I CB 1.345 39.353 38.000 0.013 0.000 1.289 373 I HN 0.702 nan 8.210 nan 0.000 0.453 374 C N 4.993 124.291 119.300 -0.004 0.000 2.985 374 C HA 0.397 4.857 4.460 0.000 0.000 0.314 374 C C 0.791 175.778 174.990 -0.006 0.000 1.215 374 C CA -0.550 58.466 59.018 -0.004 0.000 1.414 374 C CB 1.886 29.621 27.740 -0.009 0.000 1.842 374 C HN 0.845 nan 8.230 nan 0.000 0.477 375 N N 1.463 120.161 118.700 -0.002 0.000 2.336 375 N HA 0.211 4.951 4.740 0.000 0.000 0.189 375 N C -0.464 175.039 175.510 -0.012 0.000 1.113 375 N CA 0.542 53.589 53.050 -0.005 0.000 0.858 375 N CB 0.383 38.871 38.487 0.001 0.000 0.970 375 N HN 0.527 nan 8.380 nan 0.000 0.471 376 V N 2.506 122.411 119.914 -0.015 0.000 2.349 376 V HA 0.407 4.527 4.120 0.000 0.000 0.284 376 V C -2.286 173.782 176.094 -0.042 0.000 1.014 376 V CA -1.929 60.356 62.300 -0.024 0.000 0.826 376 V CB 1.450 33.265 31.823 -0.013 0.000 1.009 376 V HN 0.028 nan 8.190 nan 0.000 0.431 377 P HA 0.101 nan 4.420 nan 0.000 0.263 377 P C 1.093 178.330 177.300 -0.105 0.000 1.175 377 P CA 1.364 64.416 63.100 -0.080 0.000 0.761 377 P CB 0.490 32.130 31.700 -0.098 0.000 0.794 378 G N 1.951 110.698 108.800 -0.089 0.000 2.187 378 G HA2 -0.275 3.685 3.960 0.000 0.000 0.261 378 G HA3 -0.275 3.685 3.960 0.000 0.000 0.261 378 G C 0.469 175.329 174.900 -0.068 0.000 1.000 378 G CA 0.479 45.524 45.100 -0.091 0.000 0.718 378 G HN 0.818 nan 8.290 nan 0.000 0.519 379 S N -0.845 114.825 115.700 -0.051 0.000 2.606 379 S HA 0.565 5.036 4.470 0.000 0.000 0.257 379 S C 1.609 176.195 174.600 -0.023 0.000 1.327 379 S CA 0.686 58.868 58.200 -0.029 0.000 0.984 379 S CB 1.399 64.587 63.200 -0.020 0.000 0.941 379 S HN 0.581 nan 8.310 nan 0.000 0.576 380 S N 0.425 116.117 115.700 -0.014 0.000 2.402 380 S HA 0.009 4.479 4.470 0.000 0.000 0.229 380 S C 1.723 176.315 174.600 -0.014 0.000 1.021 380 S CA 0.866 59.059 58.200 -0.012 0.000 0.974 380 S CB -0.686 62.510 63.200 -0.007 0.000 0.800 380 S HN 0.583 nan 8.310 nan 0.000 0.484 381 L N 0.847 122.060 121.223 -0.015 0.000 2.072 381 L HA -0.043 4.297 4.340 0.000 0.000 0.205 381 L C 2.311 179.168 176.870 -0.021 0.000 1.079 381 L CA 0.701 55.529 54.840 -0.019 0.000 0.752 381 L CB -0.549 41.499 42.059 -0.019 0.000 0.906 381 L HN 0.190 nan 8.230 nan 0.000 0.436 382 V N 0.697 120.599 119.914 -0.021 0.000 2.261 382 V HA -0.299 3.821 4.120 0.000 0.000 0.246 382 V C 2.560 178.641 176.094 -0.021 0.000 1.047 382 V CA 2.363 64.650 62.300 -0.022 0.000 1.015 382 V CB -0.734 31.072 31.823 -0.027 0.000 0.642 382 V HN 0.596 nan 8.190 nan 0.000 0.446 383 R N 0.332 120.819 120.500 -0.021 0.000 2.276 383 R HA -0.007 4.333 4.340 0.000 0.000 0.203 383 R C 1.538 177.831 176.300 -0.013 0.000 1.017 383 R CA 1.317 57.406 56.100 -0.018 0.000 1.010 383 R CB -0.206 30.082 30.300 -0.020 0.000 0.900 383 R HN 0.517 nan 8.270 nan 0.000 0.469 384 E N 0.711 120.903 120.200 -0.013 0.000 2.481 384 E HA 0.146 4.496 4.350 0.000 0.000 0.198 384 E C -0.512 176.081 176.600 -0.012 0.000 1.027 384 E CA -0.250 56.144 56.400 -0.010 0.000 0.900 384 E CB 0.868 30.562 29.700 -0.010 0.000 0.993 384 E HN 0.237 nan 8.360 nan 0.000 0.482 385 S N 0.641 116.331 115.700 -0.015 0.000 2.687 385 S HA 0.107 4.577 4.470 0.000 0.000 0.283 385 S C 0.460 175.054 174.600 -0.009 0.000 1.170 385 S CA -0.819 57.371 58.200 -0.016 0.000 1.008 385 S CB 1.200 64.386 63.200 -0.022 0.000 1.026 385 S HN 0.091 nan 8.310 nan 0.000 0.541 386 D N 0.413 120.810 120.400 -0.006 0.000 2.137 386 D HA 0.089 4.729 4.640 0.000 0.000 0.202 386 D C 0.305 176.603 176.300 -0.002 0.000 0.970 386 D CA 1.056 55.055 54.000 -0.001 0.000 0.837 386 D CB 0.043 40.846 40.800 0.005 0.000 0.981 386 D HN 0.290 nan 8.370 nan 0.000 0.475 387 L N 0.032 121.252 121.223 -0.004 0.000 2.342 387 L HA 0.677 5.017 4.340 0.000 0.000 0.271 387 L C -0.571 176.295 176.870 -0.007 0.000 1.008 387 L CA -1.042 53.796 54.840 -0.004 0.000 0.818 387 L CB 2.290 44.350 42.059 0.000 0.000 1.296 387 L HN -0.180 nan 8.230 nan 0.000 0.427 388 A N 2.666 125.482 122.820 -0.006 0.000 2.398 388 A HA 0.790 5.110 4.320 0.000 0.000 0.301 388 A C -1.488 176.094 177.584 -0.004 0.000 1.041 388 A CA -0.351 51.681 52.037 -0.008 0.000 0.711 388 A CB 1.582 20.574 19.000 -0.013 0.000 1.240 388 A HN 0.499 nan 8.150 nan 0.000 0.420 389 L N 3.850 125.072 121.223 -0.002 0.000 2.417 389 L HA 0.445 4.785 4.340 0.000 0.000 0.259 389 L C -0.417 176.452 176.870 -0.002 0.000 1.023 389 L CA -0.261 54.580 54.840 0.002 0.000 0.901 389 L CB 1.133 43.199 42.059 0.012 0.000 1.227 389 L HN 0.720 nan 8.230 nan 0.000 0.454 390 M N 1.107 120.703 119.600 -0.007 0.000 2.245 390 M HA 0.195 4.675 4.480 0.000 0.000 0.330 390 M C 1.511 177.805 176.300 -0.009 0.000 1.098 390 M CA 0.264 55.558 55.300 -0.010 0.000 1.172 390 M CB 0.419 33.010 32.600 -0.015 0.000 1.467 390 M HN 0.646 nan 8.290 nan 0.000 0.454 391 T N -2.288 112.260 114.554 -0.010 0.000 3.037 391 T HA 0.082 4.433 4.350 0.000 0.000 0.251 391 T C 0.556 175.250 174.700 -0.011 0.000 1.079 391 T CA 0.053 62.147 62.100 -0.010 0.000 1.067 391 T CB -0.084 68.778 68.868 -0.011 0.000 0.948 391 T HN 0.640 nan 8.240 nan 0.000 0.496 392 N N 1.139 119.832 118.700 -0.011 0.000 2.725 392 N HA -0.183 4.557 4.740 0.000 0.000 0.249 392 N C 0.853 176.357 175.510 -0.009 0.000 1.103 392 N CA 0.795 53.839 53.050 -0.010 0.000 0.707 392 N CB -1.528 36.954 38.487 -0.008 0.000 1.043 392 N HN 0.713 nan 8.380 nan 0.000 0.553 393 A N -0.178 122.636 122.820 -0.010 0.000 2.169 393 A HA 0.464 4.784 4.320 0.000 0.000 0.212 393 A C 1.475 179.051 177.584 -0.014 0.000 1.153 393 A CA 1.432 53.462 52.037 -0.011 0.000 0.756 393 A CB -0.194 18.800 19.000 -0.010 0.000 0.813 393 A HN 1.377 nan 8.150 nan 0.000 0.471 394 G N -1.316 107.476 108.800 -0.014 0.000 2.829 394 G HA2 -0.112 3.848 3.960 0.000 0.000 0.628 394 G HA3 -0.112 3.848 3.960 0.000 0.000 0.628 394 G C -0.067 174.817 174.900 -0.026 0.000 1.412 394 G CA -0.477 44.614 45.100 -0.016 0.000 0.864 394 G HN 0.832 nan 8.290 nan 0.000 0.544 395 T N 0.935 115.469 114.554 -0.034 0.000 2.718 395 T HA 0.229 4.579 4.350 0.000 0.000 0.265 395 T C 0.653 175.300 174.700 -0.088 0.000 1.014 395 T CA 1.539 63.601 62.100 -0.064 0.000 1.172 395 T CB 0.406 69.225 68.868 -0.083 0.000 1.007 395 T HN 0.653 nan 8.240 nan 0.000 0.500 396 E N 3.239 123.380 120.200 -0.098 0.000 2.092 396 E HA 0.231 4.581 4.350 0.000 0.000 0.271 396 E C 0.417 176.870 176.600 -0.245 0.000 0.919 396 E CA -0.688 55.642 56.400 -0.117 0.000 0.760 396 E CB 0.372 30.041 29.700 -0.052 0.000 1.106 396 E HN 0.400 nan 8.360 nan 0.000 0.408 397 I N 3.009 123.348 120.570 -0.386 0.000 2.927 397 I HA 0.087 4.257 4.170 0.000 0.000 0.268 397 I C 1.362 177.233 176.117 -0.410 0.000 1.153 397 I CA 0.572 61.403 61.300 -0.781 0.000 1.459 397 I CB -0.893 36.370 38.000 -1.228 0.000 1.149 397 I HN 0.562 nan 8.210 nan 0.000 0.443 398 G N 1.184 109.892 108.800 -0.154 0.000 2.225 398 G HA2 0.217 4.177 3.960 0.000 0.000 0.245 398 G HA3 0.217 4.177 3.960 0.000 0.000 0.245 398 G C 1.220 176.125 174.900 0.009 0.000 1.249 398 G CA -0.145 44.946 45.100 -0.016 0.000 0.919 398 G HN 0.044 nan 8.290 nan 0.000 0.486 399 V N 3.470 123.409 119.914 0.041 0.000 2.252 399 V HA -0.190 3.931 4.120 0.000 0.000 0.249 399 V C 2.391 178.499 176.094 0.023 0.000 1.056 399 V CA 2.133 64.468 62.300 0.057 0.000 1.022 399 V CB -0.967 30.891 31.823 0.058 0.000 0.641 399 V HN 0.937 nan 8.190 nan 0.000 0.445 400 A N 0.371 123.189 122.820 -0.003 0.000 2.451 400 A HA 0.351 4.671 4.320 0.000 0.000 0.266 400 A C 0.573 178.138 177.584 -0.030 0.000 1.119 400 A CA 0.266 52.286 52.037 -0.028 0.000 0.786 400 A CB 0.038 19.008 19.000 -0.050 0.000 1.061 400 A HN 0.357 nan 8.150 nan 0.000 0.503 401 S N 0.957 116.641 115.700 -0.028 0.000 2.565 401 S HA 0.457 4.927 4.470 0.000 0.000 0.276 401 S C 1.430 176.015 174.600 -0.024 0.000 1.326 401 S CA 0.146 58.342 58.200 -0.007 0.000 1.045 401 S CB 1.011 64.229 63.200 0.030 0.000 0.918 401 S HN 0.997 nan 8.310 nan 0.000 0.505 402 T N 1.121 115.673 114.554 -0.002 0.000 3.426 402 T HA 0.143 4.493 4.350 0.000 0.000 0.195 402 T C 1.653 176.393 174.700 0.068 0.000 0.963 402 T CA -0.094 62.008 62.100 0.003 0.000 1.154 402 T CB -0.635 68.199 68.868 -0.056 0.000 1.377 402 T HN 0.550 nan 8.240 nan 0.000 0.342 403 K N 2.413 122.823 120.400 0.016 0.000 2.089 403 K HA -0.058 4.263 4.320 0.000 0.000 0.210 403 K C 2.454 179.077 176.600 0.038 0.000 1.048 403 K CA 1.735 58.032 56.287 0.016 0.000 0.926 403 K CB -0.975 31.515 32.500 -0.017 0.000 0.714 403 K HN 0.408 nan 8.250 nan 0.000 0.448 404 A N 1.324 124.173 122.820 0.049 0.000 1.903 404 A HA -0.196 4.124 4.320 0.000 0.000 0.219 404 A C 2.078 179.716 177.584 0.090 0.000 1.191 404 A CA 1.774 53.846 52.037 0.058 0.000 0.638 404 A CB -0.901 18.138 19.000 0.066 0.000 0.823 404 A HN 0.586 nan 8.150 nan 0.000 0.451 405 F N 0.298 120.231 119.950 -0.028 0.000 2.074 405 F HA -0.076 4.451 4.527 0.001 0.000 0.293 405 F C 2.537 178.328 175.800 -0.016 0.000 1.116 405 F CA 2.331 60.313 58.000 -0.029 0.000 1.212 405 F CB -0.943 38.029 39.000 -0.046 0.000 0.998 405 F HN 0.179 nan 8.300 nan 0.000 0.471 406 T N -0.236 114.329 114.554 0.018 0.000 2.653 406 T HA -0.278 4.072 4.350 0.000 0.000 0.268 406 T C 2.002 176.640 174.700 -0.103 0.000 1.035 406 T CA 2.836 64.895 62.100 -0.068 0.000 1.154 406 T CB -0.724 68.193 68.868 0.081 0.000 0.862 406 T HN 0.630 nan 8.240 nan 0.000 0.441 407 T N -0.385 114.135 114.554 -0.056 0.000 2.904 407 T HA -0.045 4.306 4.350 0.000 0.000 0.267 407 T C 1.915 176.575 174.700 -0.066 0.000 1.059 407 T CA 1.092 63.163 62.100 -0.047 0.000 1.137 407 T CB -0.384 68.470 68.868 -0.022 0.000 0.879 407 T HN 0.444 nan 8.240 nan 0.000 0.467 408 Q N 0.917 120.659 119.800 -0.096 0.000 2.061 408 Q HA -0.019 4.321 4.340 0.000 0.000 0.204 408 Q C 2.397 178.331 176.000 -0.109 0.000 0.984 408 Q CA 1.820 57.564 55.803 -0.098 0.000 0.846 408 Q CB -0.642 28.030 28.738 -0.110 0.000 0.902 408 Q HN 0.523 nan 8.270 nan 0.000 0.421 409 L N -0.109 120.985 121.223 -0.215 0.000 2.013 409 L HA -0.265 4.075 4.340 0.000 0.000 0.212 409 L C 2.500 179.417 176.870 0.078 0.000 1.073 409 L CA 1.534 56.338 54.840 -0.060 0.000 0.753 409 L CB -0.975 41.001 42.059 -0.137 0.000 0.890 409 L HN 0.258 nan 8.230 nan 0.000 0.432 410 T N -0.665 113.884 114.554 -0.008 0.000 2.699 410 T HA -0.193 4.157 4.350 0.000 0.000 0.268 410 T C 1.942 176.620 174.700 -0.036 0.000 1.036 410 T CA 1.612 63.694 62.100 -0.030 0.000 1.147 410 T CB -0.240 68.608 68.868 -0.034 0.000 0.862 410 T HN 0.082 nan 8.240 nan 0.000 0.446 411 V N 0.903 120.807 119.914 -0.017 0.000 2.346 411 V HA -0.034 4.087 4.120 0.000 0.000 0.244 411 V C 2.453 178.555 176.094 0.013 0.000 1.037 411 V CA 1.169 63.465 62.300 -0.006 0.000 1.029 411 V CB -0.586 31.238 31.823 0.001 0.000 0.663 411 V HN 0.407 nan 8.190 nan 0.000 0.454 412 L N -0.715 120.534 121.223 0.044 0.000 2.021 412 L HA -0.272 4.068 4.340 0.000 0.000 0.215 412 L C 2.468 179.310 176.870 -0.045 0.000 1.074 412 L CA 1.409 56.291 54.840 0.069 0.000 0.760 412 L CB -0.729 41.402 42.059 0.119 0.000 0.889 412 L HN 0.301 nan 8.230 nan 0.000 0.433 413 L N -0.807 120.374 121.223 -0.070 0.000 2.042 413 L HA -0.226 4.115 4.340 0.000 0.000 0.210 413 L C 2.465 179.195 176.870 -0.233 0.000 1.076 413 L CA 1.861 56.505 54.840 -0.327 0.000 0.749 413 L CB -0.602 41.158 42.059 -0.499 0.000 0.893 413 L HN 0.244 nan 8.230 nan 0.000 0.432 414 M N -1.922 117.602 119.600 -0.127 0.000 2.086 414 M HA -0.232 4.248 4.480 0.000 0.000 0.261 414 M C 2.145 178.423 176.300 -0.037 0.000 1.067 414 M CA 1.497 56.751 55.300 -0.078 0.000 1.116 414 M CB -0.555 32.019 32.600 -0.043 0.000 1.348 414 M HN 0.255 nan 8.290 nan 0.000 0.407 415 L N 0.330 121.558 121.223 0.009 0.000 2.046 415 L HA -0.119 4.222 4.340 0.000 0.000 0.208 415 L C 2.213 179.167 176.870 0.140 0.000 1.077 415 L CA 1.474 56.375 54.840 0.102 0.000 0.747 415 L CB -0.515 41.666 42.059 0.203 0.000 0.896 415 L HN 0.015 nan 8.230 nan 0.000 0.432 416 V N 0.210 120.104 119.914 -0.033 0.000 2.252 416 V HA -0.375 3.745 4.120 0.000 0.000 0.249 416 V C 2.801 178.876 176.094 -0.030 0.000 1.056 416 V CA 1.909 64.137 62.300 -0.120 0.000 1.022 416 V CB -1.546 30.030 31.823 -0.411 0.000 0.641 416 V HN 0.640 nan 8.190 nan 0.000 0.445 417 A N 0.370 123.137 122.820 -0.089 0.000 1.849 417 A HA -0.346 3.974 4.320 0.000 0.000 0.217 417 A C 2.242 179.813 177.584 -0.021 0.000 1.202 417 A CA 2.729 54.724 52.037 -0.070 0.000 0.629 417 A CB -0.714 18.232 19.000 -0.089 0.000 0.834 417 A HN 0.536 nan 8.150 nan 0.000 0.447 418 K N -0.137 120.263 120.400 0.000 0.000 2.127 418 K HA -0.104 4.216 4.320 0.000 0.000 0.208 418 K C 1.626 178.244 176.600 0.029 0.000 1.047 418 K CA 1.833 58.129 56.287 0.015 0.000 0.927 418 K CB -0.537 31.978 32.500 0.026 0.000 0.716 418 K HN 0.480 nan 8.250 nan 0.000 0.450 419 L N 0.503 121.763 121.223 0.061 0.000 2.341 419 L HA -0.040 4.301 4.340 0.000 0.000 0.214 419 L C 2.395 179.295 176.870 0.050 0.000 1.115 419 L CA 0.911 55.793 54.840 0.070 0.000 0.820 419 L CB -0.432 41.704 42.059 0.128 0.000 0.944 419 L HN 0.358 nan 8.230 nan 0.000 0.452 420 S N 0.116 115.838 115.700 0.036 0.000 2.368 420 S HA -0.268 4.203 4.470 0.000 0.000 0.225 420 S C 2.039 176.633 174.600 -0.010 0.000 1.030 420 S CA 1.352 59.557 58.200 0.009 0.000 0.999 420 S CB -0.239 62.951 63.200 -0.016 0.000 0.844 420 S HN 0.397 nan 8.310 nan 0.000 0.459 421 K N 1.140 121.531 120.400 -0.016 0.000 2.103 421 K HA 0.032 4.352 4.320 0.000 0.000 0.204 421 K C 2.520 179.115 176.600 -0.008 0.000 1.052 421 K CA 1.292 57.565 56.287 -0.023 0.000 0.945 421 K CB -0.806 31.680 32.500 -0.024 0.000 0.722 421 K HN 0.461 nan 8.250 nan 0.000 0.443 422 L N 1.058 122.283 121.223 0.003 0.000 2.042 422 L HA -0.111 4.229 4.340 0.000 0.000 0.210 422 L C 2.698 179.572 176.870 0.007 0.000 1.076 422 L CA 2.751 57.595 54.840 0.008 0.000 0.749 422 L CB -2.408 39.660 42.059 0.015 0.000 0.893 422 L HN 0.498 nan 8.230 nan 0.000 0.432 423 K N -0.293 120.113 120.400 0.010 0.000 2.515 423 K HA 0.322 4.643 4.320 0.000 0.000 0.196 423 K C 2.083 178.685 176.600 0.003 0.000 1.038 423 K CA 1.300 57.593 56.287 0.010 0.000 0.967 423 K CB -1.529 nan 32.500 nan 0.000 0.780 423 K HN 2.336 nan 8.250 nan 0.000 0.483 424 G N -0.023 108.775 108.800 -0.004 0.000 2.198 424 G HA2 -0.208 3.752 3.960 0.000 0.000 0.260 424 G HA3 -0.208 3.752 3.960 0.000 0.000 0.260 424 G C 0.192 175.085 174.900 -0.012 0.000 1.025 424 G CA 0.418 45.513 45.100 -0.008 0.000 0.769 424 G HN 0.495 nan 8.290 nan 0.000 0.507 425 L N -0.148 121.067 121.223 -0.015 0.000 2.479 425 L HA 0.368 4.708 4.340 0.000 0.000 0.249 425 L C 1.160 178.010 176.870 -0.034 0.000 1.178 425 L CA -0.667 54.163 54.840 -0.017 0.000 0.811 425 L CB 0.361 42.414 42.059 -0.010 0.000 1.187 425 L HN 0.197 nan 8.230 nan 0.000 0.480 426 D N 0.584 120.965 120.400 -0.032 0.000 2.472 426 D HA -0.042 4.598 4.640 0.000 0.000 0.248 426 D C 0.724 176.976 176.300 -0.081 0.000 1.174 426 D CA 0.335 54.309 54.000 -0.043 0.000 0.883 426 D CB 1.371 42.154 40.800 -0.028 0.000 1.149 426 D HN 0.645 nan 8.370 nan 0.000 0.488 427 A N 3.695 126.450 122.820 -0.110 0.000 2.131 427 A HA -0.170 4.150 4.320 0.000 0.000 0.220 427 A C 2.323 179.728 177.584 -0.298 0.000 1.158 427 A CA 1.310 53.210 52.037 -0.228 0.000 0.665 427 A CB -0.206 18.661 19.000 -0.222 0.000 0.795 427 A HN 0.612 nan 8.150 nan 0.000 0.460 428 S N -0.777 114.843 115.700 -0.133 0.000 2.359 428 S HA -0.249 4.221 4.470 0.000 0.000 0.222 428 S C 2.219 176.768 174.600 -0.085 0.000 1.038 428 S CA 2.342 60.502 58.200 -0.068 0.000 1.051 428 S CB -0.910 62.272 63.200 -0.029 0.000 0.944 428 S HN 1.065 nan 8.310 nan 0.000 0.433 429 I N 1.367 121.883 120.570 -0.090 0.000 2.093 429 I HA -0.291 3.879 4.170 0.000 0.000 0.239 429 I C 2.330 178.385 176.117 -0.104 0.000 1.026 429 I CA 3.073 64.320 61.300 -0.087 0.000 1.295 429 I CB -1.849 36.106 38.000 -0.074 0.000 1.007 429 I HN 0.684 nan 8.210 nan 0.000 0.401 430 E N -0.975 119.143 120.200 -0.137 0.000 2.017 430 E HA -0.285 4.065 4.350 0.000 0.000 0.193 430 E C 2.104 178.688 176.600 -0.026 0.000 0.997 430 E CA 1.915 58.248 56.400 -0.111 0.000 0.804 430 E CB -0.592 29.023 29.700 -0.142 0.000 0.757 430 E HN 0.844 nan 8.360 nan 0.000 0.448 431 H N -0.136 118.904 119.070 -0.050 0.000 2.319 431 H HA -0.133 4.424 4.556 0.001 0.000 0.297 431 H C 1.699 176.987 175.328 -0.066 0.000 1.097 431 H CA 1.008 57.026 56.048 -0.049 0.000 1.285 431 H CB 0.012 29.752 29.762 -0.037 0.000 1.368 431 H HN 0.286 nan 8.280 nan 0.000 0.495 432 D N 0.371 120.803 120.400 0.053 0.000 2.178 432 D HA -0.101 4.539 4.640 0.000 0.000 0.201 432 D C 2.102 178.356 176.300 -0.078 0.000 0.980 432 D CA 0.798 54.785 54.000 -0.021 0.000 0.842 432 D CB -0.064 40.714 40.800 -0.037 0.000 0.948 432 D HN 0.430 nan 8.370 nan 0.000 0.472 433 I N -0.053 120.455 120.570 -0.103 0.000 2.277 433 I HA -0.168 4.002 4.170 0.000 0.000 0.243 433 I C 2.461 178.500 176.117 -0.130 0.000 1.094 433 I CA 0.384 61.581 61.300 -0.172 0.000 1.393 433 I CB 0.008 37.877 38.000 -0.217 0.000 1.078 433 I HN -0.160 nan 8.210 nan 0.000 0.417 434 V N 0.823 120.693 119.914 -0.073 0.000 2.407 434 V HA -0.360 3.760 4.120 0.000 0.000 0.248 434 V C 2.965 179.026 176.094 -0.055 0.000 1.055 434 V CA 2.707 64.978 62.300 -0.049 0.000 1.049 434 V CB -1.154 30.669 31.823 0.001 0.000 0.662 434 V HN 0.683 nan 8.190 nan 0.000 0.455 435 H N -1.274 117.766 119.070 -0.051 0.000 2.326 435 H HA -0.013 4.543 4.556 0.000 0.000 0.301 435 H C 2.364 177.647 175.328 -0.075 0.000 1.081 435 H CA 1.882 57.894 56.048 -0.060 0.000 1.334 435 H CB -1.079 28.652 29.762 -0.052 0.000 1.385 435 H HN 0.503 nan 8.280 nan 0.000 0.504 436 G N -0.172 108.572 108.800 -0.093 0.000 2.432 436 G HA2 -0.069 3.891 3.960 0.000 0.000 0.219 436 G HA3 -0.069 3.891 3.960 0.000 0.000 0.219 436 G C 1.882 176.719 174.900 -0.105 0.000 1.135 436 G CA 0.965 45.999 45.100 -0.110 0.000 0.767 436 G HN 0.572 nan 8.290 nan 0.000 0.550 437 L N -0.787 120.373 121.223 -0.105 0.000 2.179 437 L HA 0.050 4.390 4.340 0.000 0.000 0.208 437 L C 2.940 179.772 176.870 -0.063 0.000 1.096 437 L CA 0.767 55.552 54.840 -0.090 0.000 0.779 437 L CB -0.127 41.874 42.059 -0.097 0.000 0.922 437 L HN 0.228 nan 8.230 nan 0.000 0.443 438 Q N -0.595 119.169 119.800 -0.060 0.000 2.172 438 Q HA -0.093 4.247 4.340 0.000 0.000 0.200 438 Q C 2.249 178.222 176.000 -0.045 0.000 0.964 438 Q CA 1.290 57.064 55.803 -0.049 0.000 0.855 438 Q CB 0.023 28.731 28.738 -0.051 0.000 0.918 438 Q HN 0.509 nan 8.270 nan 0.000 0.444 439 A N 0.135 122.922 122.820 -0.055 0.000 1.969 439 A HA -0.136 4.184 4.320 0.000 0.000 0.218 439 A C 1.898 179.456 177.584 -0.043 0.000 1.169 439 A CA 0.857 52.862 52.037 -0.054 0.000 0.635 439 A CB -0.534 18.421 19.000 -0.076 0.000 0.810 439 A HN 0.445 nan 8.150 nan 0.000 0.445 440 L N 0.561 121.759 121.223 -0.041 0.000 1.989 440 L HA -0.065 4.275 4.340 0.000 0.000 0.211 440 L C -0.773 176.110 176.870 0.023 0.000 1.071 440 L CA 2.462 57.293 54.840 -0.014 0.000 0.749 440 L CB -1.181 40.868 42.059 -0.017 0.000 0.890 440 L HN 0.150 nan 8.230 nan 0.000 0.431 441 P HA -0.144 nan 4.420 nan 0.000 0.216 441 P C 1.777 179.098 177.300 0.035 0.000 1.150 441 P CA 1.917 65.030 63.100 0.022 0.000 0.843 441 P CB -0.050 31.655 31.700 0.009 0.000 0.787 442 S N -1.207 114.510 115.700 0.029 0.000 2.355 442 S HA -0.167 4.304 4.470 0.000 0.000 0.222 442 S C 2.361 177.006 174.600 0.075 0.000 1.031 442 S CA 1.652 59.875 58.200 0.038 0.000 0.993 442 S CB -1.064 62.148 63.200 0.019 0.000 0.859 442 S HN 0.144 nan 8.310 nan 0.000 0.453 443 R N 1.628 122.173 120.500 0.074 0.000 2.113 443 R HA -0.121 4.219 4.340 0.000 0.000 0.244 443 R C 2.003 178.525 176.300 0.370 0.000 1.142 443 R CA 2.083 58.295 56.100 0.187 0.000 0.953 443 R CB -1.818 28.456 30.300 -0.043 0.000 0.860 443 R HN 0.403 nan 8.270 nan 0.000 0.438 444 I N 0.936 121.632 120.570 0.210 0.000 2.252 444 I HA -0.141 4.029 4.170 0.000 0.000 0.245 444 I C 2.474 178.613 176.117 0.037 0.000 1.102 444 I CA 1.382 62.749 61.300 0.111 0.000 1.385 444 I CB -1.142 36.890 38.000 0.053 0.000 1.064 444 I HN 0.334 nan 8.210 nan 0.000 0.414 445 E N 1.248 121.478 120.200 0.051 0.000 2.085 445 E HA -0.251 4.099 4.350 0.000 0.000 0.194 445 E C 2.364 178.987 176.600 0.038 0.000 0.994 445 E CA 2.252 58.674 56.400 0.037 0.000 0.801 445 E CB -0.405 29.322 29.700 0.046 0.000 0.743 445 E HN 0.581 nan 8.360 nan 0.000 0.453 446 Q N 0.006 119.850 119.800 0.074 0.000 2.030 446 Q HA -0.111 4.230 4.340 0.000 0.000 0.204 446 Q C 2.218 178.227 176.000 0.014 0.000 0.986 446 Q CA 2.429 58.278 55.803 0.077 0.000 0.843 446 Q CB -0.918 27.905 28.738 0.142 0.000 0.904 446 Q HN 0.408 nan 8.270 nan 0.000 0.420 447 M N 0.030 119.596 119.600 -0.057 0.000 2.195 447 M HA -0.018 4.462 4.480 0.000 0.000 0.260 447 M C 2.010 178.206 176.300 -0.174 0.000 1.066 447 M CA 1.352 56.505 55.300 -0.245 0.000 1.089 447 M CB -0.271 32.015 32.600 -0.524 0.000 1.377 447 M HN 0.467 nan 8.290 nan 0.000 0.411 448 L N -0.872 120.271 121.223 -0.133 0.000 2.291 448 L HA -0.084 4.256 4.340 0.000 0.000 0.214 448 L C 1.592 178.444 176.870 -0.030 0.000 1.120 448 L CA 1.122 55.862 54.840 -0.166 0.000 0.799 448 L CB -0.561 41.379 42.059 -0.199 0.000 0.925 448 L HN 0.456 nan 8.230 nan 0.000 0.446 449 S N -1.886 113.823 115.700 0.015 0.000 2.618 449 S HA 0.089 4.559 4.470 0.000 0.000 0.242 449 S C 1.092 175.710 174.600 0.030 0.000 0.972 449 S CA -0.409 57.824 58.200 0.056 0.000 1.004 449 S CB 0.260 63.496 63.200 0.059 0.000 0.778 449 S HN 0.315 nan 8.310 nan 0.000 0.459 450 Q N 1.386 121.188 119.800 0.003 0.000 2.219 450 Q HA 0.057 4.397 4.340 0.000 0.000 0.209 450 Q C 0.632 176.646 176.000 0.023 0.000 0.854 450 Q CA 0.379 56.183 55.803 0.002 0.000 0.960 450 Q CB 0.431 29.149 28.738 -0.033 0.000 1.116 450 Q HN 0.794 nan 8.270 nan 0.000 0.500 451 D N 1.088 121.516 120.400 0.047 0.000 2.092 451 D HA -0.221 4.419 4.640 0.000 0.000 0.193 451 D C 1.506 177.818 176.300 0.019 0.000 0.994 451 D CA 1.216 55.268 54.000 0.087 0.000 0.828 451 D CB -0.113 40.830 40.800 0.237 0.000 0.963 451 D HN -0.048 nan 8.370 nan 0.000 0.450 452 K N 0.220 120.634 120.400 0.022 0.000 2.059 452 K HA -0.164 4.156 4.320 0.000 0.000 0.212 452 K C 2.425 179.003 176.600 -0.037 0.000 1.050 452 K CA 1.178 57.455 56.287 -0.017 0.000 0.927 452 K CB -0.335 32.170 32.500 0.008 0.000 0.714 452 K HN 0.235 nan 8.250 nan 0.000 0.447 453 R N 0.399 120.894 120.500 -0.008 0.000 2.115 453 R HA 0.002 4.342 4.340 0.000 0.000 0.230 453 R C 2.382 178.682 176.300 0.001 0.000 1.111 453 R CA 0.825 56.925 56.100 -0.001 0.000 0.976 453 R CB -0.102 30.204 30.300 0.011 0.000 0.870 453 R HN 0.160 nan 8.270 nan 0.000 0.445 454 I N 0.046 120.620 120.570 0.007 0.000 2.406 454 I HA -0.199 3.971 4.170 0.000 0.000 0.249 454 I C 2.433 178.517 176.117 -0.056 0.000 1.122 454 I CA 0.998 62.325 61.300 0.046 0.000 1.431 454 I CB -0.188 37.889 38.000 0.129 0.000 1.087 454 I HN 0.247 nan 8.210 nan 0.000 0.424 455 E N 1.642 121.693 120.200 -0.249 0.000 2.106 455 E HA -0.238 4.112 4.350 0.000 0.000 0.192 455 E C 2.286 178.803 176.600 -0.138 0.000 0.984 455 E CA 1.258 57.402 56.400 -0.427 0.000 0.806 455 E CB -0.005 29.221 29.700 -0.791 0.000 0.750 455 E HN 0.458 nan 8.360 nan 0.000 0.458 456 A N 1.342 124.117 122.820 -0.075 0.000 1.883 456 A HA -0.191 4.129 4.320 0.000 0.000 0.217 456 A C 2.202 179.805 177.584 0.032 0.000 1.186 456 A CA 1.502 53.533 52.037 -0.010 0.000 0.624 456 A CB -0.788 18.215 19.000 0.004 0.000 0.822 456 A HN 0.411 nan 8.150 nan 0.000 0.444 457 L N -0.604 120.646 121.223 0.045 0.000 2.093 457 L HA -0.029 4.312 4.340 0.000 0.000 0.208 457 L C 2.707 179.658 176.870 0.134 0.000 1.085 457 L CA 1.728 56.629 54.840 0.101 0.000 0.755 457 L CB -0.402 41.714 42.059 0.096 0.000 0.904 457 L HN 0.357 nan 8.230 nan 0.000 0.435 458 A N -0.531 122.337 122.820 0.080 0.000 1.940 458 A HA -0.255 4.065 4.320 0.000 0.000 0.219 458 A C 2.076 179.765 177.584 0.174 0.000 1.176 458 A CA 1.863 53.952 52.037 0.088 0.000 0.631 458 A CB -0.635 18.388 19.000 0.039 0.000 0.814 458 A HN 0.613 nan 8.150 nan 0.000 0.446 459 E N -0.025 120.237 120.200 0.103 0.000 2.169 459 E HA -0.260 4.090 4.350 0.000 0.000 0.202 459 E C 1.093 177.743 176.600 0.084 0.000 1.016 459 E CA 1.449 57.897 56.400 0.079 0.000 0.817 459 E CB -0.427 29.303 29.700 0.051 0.000 0.736 459 E HN 0.554 nan 8.360 nan 0.000 0.462 460 D N -0.523 119.929 120.400 0.087 0.000 2.384 460 D HA -0.114 4.526 4.640 0.000 0.000 0.222 460 D C 0.906 177.070 176.300 -0.226 0.000 0.976 460 D CA 0.716 54.673 54.000 -0.071 0.000 0.915 460 D CB -0.158 40.536 40.800 -0.176 0.000 0.896 460 D HN 0.185 nan 8.370 nan 0.000 0.523 461 F N -0.388 119.499 119.950 -0.105 0.000 2.695 461 F HA 0.077 4.604 4.527 0.000 0.000 0.303 461 F C 2.274 178.015 175.800 -0.098 0.000 1.091 461 F CA -0.115 57.817 58.000 -0.114 0.000 1.300 461 F CB -0.248 38.664 39.000 -0.146 0.000 1.071 461 F HN -0.133 nan 8.300 nan 0.000 0.578 462 S N 0.474 116.206 115.700 0.053 0.000 2.407 462 S HA -0.264 4.207 4.470 0.000 0.000 0.235 462 S C 1.555 176.138 174.600 -0.029 0.000 1.036 462 S CA 2.011 60.214 58.200 0.005 0.000 1.013 462 S CB -0.542 62.663 63.200 0.009 0.000 0.820 462 S HN 0.602 nan 8.310 nan 0.000 0.476 463 D N -0.626 119.759 120.400 -0.026 0.000 2.398 463 D HA 0.133 4.774 4.640 0.000 0.000 0.210 463 D C -0.050 176.240 176.300 -0.017 0.000 1.094 463 D CA -0.193 53.808 54.000 0.003 0.000 0.839 463 D CB 0.033 40.855 40.800 0.037 0.000 0.963 463 D HN 0.178 nan 8.370 nan 0.000 0.506 464 K N 0.653 121.003 120.400 -0.084 0.000 2.156 464 K HA 0.279 4.600 4.320 0.000 0.000 0.271 464 K C -0.122 176.394 176.600 -0.140 0.000 0.995 464 K CA -0.487 55.800 56.287 0.000 0.000 0.890 464 K CB 1.529 34.042 32.500 0.023 0.000 1.073 464 K HN 0.123 nan 8.250 nan 0.000 0.454 465 H N -0.711 118.458 119.070 0.166 0.000 3.255 465 H HA 0.197 4.753 4.556 0.000 0.000 0.256 465 H C -0.086 175.199 175.328 -0.072 0.000 1.049 465 H CA 0.055 56.141 56.048 0.064 0.000 1.202 465 H CB 0.614 30.398 29.762 0.037 0.000 1.497 465 H HN 0.473 nan 8.280 nan 0.000 0.503 466 H N -0.255 118.960 119.070 0.242 0.000 2.797 466 H HA 0.807 5.363 4.556 0.000 0.000 0.362 466 H C -0.727 174.725 175.328 0.206 0.000 1.183 466 H CA -0.918 55.251 56.048 0.202 0.000 1.197 466 H CB 2.345 32.186 29.762 0.132 0.000 1.835 466 H HN 0.180 nan 8.280 nan 0.000 0.567 467 A N 1.687 124.713 122.820 0.344 0.000 2.547 467 A HA 0.398 4.718 4.320 0.000 0.000 0.298 467 A C -1.681 176.102 177.584 0.332 0.000 1.062 467 A CA -0.624 51.603 52.037 0.317 0.000 0.748 467 A CB 0.985 20.203 19.000 0.363 0.000 1.288 467 A HN 0.293 nan 8.150 nan 0.000 0.396 468 L N 0.996 122.379 121.223 0.267 0.000 2.416 468 L HA 0.769 5.109 4.340 0.000 0.000 0.262 468 L C -0.609 176.432 176.870 0.285 0.000 1.093 468 L CA 0.030 55.064 54.840 0.324 0.000 0.801 468 L CB 0.472 42.710 42.059 0.298 0.000 1.191 468 L HN 0.606 nan 8.230 nan 0.000 0.459 469 F N 1.691 121.757 119.950 0.194 0.000 2.671 469 F HA 0.516 5.044 4.527 0.000 0.000 0.332 469 F C -0.673 175.244 175.800 0.195 0.000 1.189 469 F CA -0.411 57.685 58.000 0.161 0.000 0.988 469 F CB 1.122 40.179 39.000 0.096 0.000 1.258 469 F HN 0.103 nan 8.300 nan 0.000 0.471 470 L N 2.932 124.331 121.223 0.294 0.000 2.334 470 L HA 1.038 5.379 4.340 0.000 0.000 0.272 470 L C 0.295 177.305 176.870 0.232 0.000 1.020 470 L CA -0.910 54.090 54.840 0.266 0.000 0.812 470 L CB 1.928 44.097 42.059 0.185 0.000 1.264 470 L HN 0.680 nan 8.230 nan 0.000 0.439 471 G N 0.700 109.636 108.800 0.227 0.000 2.608 471 G HA2 0.669 4.630 3.960 0.000 0.000 0.291 471 G HA3 0.669 4.630 3.960 0.000 0.000 0.291 471 G C -1.776 173.206 174.900 0.137 0.000 1.425 471 G CA -0.690 44.515 45.100 0.175 0.000 0.787 471 G HN 0.447 nan 8.290 nan 0.000 0.484 472 R N -1.000 119.548 120.500 0.081 0.000 2.837 472 R HA 0.665 5.005 4.340 0.000 0.000 0.271 472 R C 0.775 177.066 176.300 -0.015 0.000 0.993 472 R CA 0.181 56.312 56.100 0.052 0.000 0.931 472 R CB 2.016 32.341 30.300 0.042 0.000 1.206 472 R HN 1.601 nan 8.270 nan 0.000 0.474 473 G N 1.813 110.606 108.800 -0.011 0.000 2.614 473 G HA2 -0.432 3.528 3.960 0.000 0.000 0.303 473 G HA3 -0.432 3.528 3.960 0.000 0.000 0.303 473 G C 0.451 174.737 174.900 -1.024 0.000 1.270 473 G CA 0.913 45.872 45.100 -0.235 0.000 0.988 473 G HN 0.865 nan 8.290 nan 0.000 0.551 474 D N -0.108 119.555 120.400 -1.227 0.000 2.354 474 D HA -0.057 4.583 4.640 0.000 0.000 0.216 474 D C 1.898 177.905 176.300 -0.489 0.000 0.970 474 D CA 1.971 55.336 54.000 -1.058 0.000 0.905 474 D CB -0.136 40.355 40.800 -0.514 0.000 0.903 474 D HN 0.492 nan 8.370 nan 0.000 0.508 475 Q N -1.309 118.310 119.800 -0.301 0.000 2.356 475 Q HA -0.008 4.333 4.340 0.000 0.000 0.205 475 Q C 1.216 177.200 176.000 -0.027 0.000 0.901 475 Q CA -0.048 55.676 55.803 -0.131 0.000 0.938 475 Q CB -0.141 28.530 28.738 -0.111 0.000 1.081 475 Q HN 0.466 nan 8.270 nan 0.000 0.517 476 Y N 2.783 122.987 120.300 -0.161 0.000 2.145 476 Y HA -0.082 4.468 4.550 0.000 0.000 0.286 476 Y C -0.945 174.939 175.900 -0.026 0.000 1.145 476 Y CA 1.067 59.140 58.100 -0.045 0.000 1.148 476 Y CB -1.230 37.235 38.460 0.009 0.000 0.981 476 Y HN 0.041 nan 8.280 nan 0.000 0.507 477 P HA -0.169 nan 4.420 nan 0.000 0.221 477 P C 1.697 178.861 177.300 -0.226 0.000 1.145 477 P CA 1.501 64.339 63.100 -0.437 0.000 0.795 477 P CB -0.075 31.445 31.700 -0.301 0.000 0.775 478 I N -0.649 119.850 120.570 -0.118 0.000 2.439 478 I HA -0.119 4.051 4.170 0.000 0.000 0.251 478 I C 2.141 178.223 176.117 -0.058 0.000 1.139 478 I CA 1.150 62.427 61.300 -0.039 0.000 1.438 478 I CB -1.794 36.226 38.000 0.034 0.000 1.085 478 I HN -0.075 nan 8.210 nan 0.000 0.427 479 A N 0.969 123.790 122.820 0.000 0.000 1.930 479 A HA -0.114 4.206 4.320 0.000 0.000 0.217 479 A C 2.405 179.937 177.584 -0.087 0.000 1.175 479 A CA 0.950 53.048 52.037 0.101 0.000 0.627 479 A CB -0.708 18.449 19.000 0.262 0.000 0.815 479 A HN 0.340 nan 8.150 nan 0.000 0.443 480 L N -0.645 120.478 121.223 -0.166 0.000 1.990 480 L HA -0.257 4.083 4.340 0.000 0.000 0.213 480 L C 2.712 179.409 176.870 -0.290 0.000 1.072 480 L CA 1.996 56.700 54.840 -0.227 0.000 0.755 480 L CB -0.465 41.426 42.059 -0.280 0.000 0.889 480 L HN 0.487 nan 8.230 nan 0.000 0.432 481 E N 0.325 120.335 120.200 -0.316 0.000 2.153 481 E HA -0.157 4.193 4.350 0.000 0.000 0.194 481 E C 2.020 178.348 176.600 -0.453 0.000 0.988 481 E CA 1.434 57.574 56.400 -0.434 0.000 0.811 481 E CB -0.359 28.940 29.700 -0.668 0.000 0.746 481 E HN 0.372 nan 8.360 nan 0.000 0.466 482 G N -0.109 108.425 108.800 -0.444 0.000 2.403 482 G HA2 -0.104 3.856 3.960 0.000 0.000 0.216 482 G HA3 -0.104 3.856 3.960 0.000 0.000 0.216 482 G C 1.660 175.916 174.900 -1.072 0.000 1.154 482 G CA 0.754 45.510 45.100 -0.573 0.000 0.784 482 G HN 0.427 nan 8.290 nan 0.000 0.538 483 A N 0.594 122.713 122.820 -1.169 0.000 1.872 483 A HA 0.143 4.464 4.320 0.000 0.000 0.214 483 A C 2.298 179.610 177.584 -0.455 0.000 1.187 483 A CA 1.456 52.897 52.037 -0.994 0.000 0.614 483 A CB -0.529 18.151 19.000 -0.533 0.000 0.826 483 A HN 0.363 nan 8.150 nan 0.000 0.442 484 L N 0.028 121.047 121.223 -0.340 0.000 2.013 484 L HA -0.199 4.142 4.340 0.000 0.000 0.212 484 L C 2.144 178.886 176.870 -0.213 0.000 1.073 484 L CA 2.114 56.822 54.840 -0.220 0.000 0.753 484 L CB -0.629 41.316 42.059 -0.189 0.000 0.890 484 L HN 0.230 nan 8.230 nan 0.000 0.432 485 K N -0.949 119.285 120.400 -0.276 0.000 2.057 485 K HA -0.147 4.173 4.320 0.000 0.000 0.207 485 K C 2.094 178.584 176.600 -0.182 0.000 1.049 485 K CA 1.336 57.493 56.287 -0.217 0.000 0.931 485 K CB -0.618 31.742 32.500 -0.233 0.000 0.714 485 K HN 0.271 nan 8.250 nan 0.000 0.440 486 L N 2.361 123.452 121.223 -0.221 0.000 2.023 486 L HA -0.156 4.184 4.340 0.000 0.000 0.205 486 L C 2.448 179.262 176.870 -0.093 0.000 1.073 486 L CA 1.832 56.584 54.840 -0.146 0.000 0.745 486 L CB -0.615 41.393 42.059 -0.086 0.000 0.900 486 L HN 0.157 nan 8.230 nan 0.000 0.435 487 K N -0.397 119.961 120.400 -0.069 0.000 2.103 487 K HA -0.274 4.046 4.320 0.000 0.000 0.207 487 K C 1.919 178.545 176.600 0.044 0.000 1.048 487 K CA 2.025 58.312 56.287 -0.000 0.000 0.930 487 K CB -0.587 31.910 32.500 -0.006 0.000 0.716 487 K HN 0.593 nan 8.250 nan 0.000 0.444 488 E N 1.538 121.737 120.200 -0.001 0.000 2.072 488 E HA -0.146 4.204 4.350 0.000 0.000 0.190 488 E C 2.138 178.796 176.600 0.097 0.000 0.982 488 E CA 1.325 57.754 56.400 0.049 0.000 0.803 488 E CB -0.113 29.580 29.700 -0.012 0.000 0.755 488 E HN 0.640 nan 8.360 nan 0.000 0.453 489 I N -1.581 118.956 120.570 -0.055 0.000 3.968 489 I HA 0.199 4.369 4.170 0.000 0.000 0.328 489 I C 1.780 177.610 176.117 -0.478 0.000 1.290 489 I CA 0.516 61.706 61.300 -0.184 0.000 1.163 489 I CB 0.656 38.559 38.000 -0.162 0.000 1.024 489 I HN 0.030 nan 8.210 nan 0.000 0.413 490 S N -0.960 114.473 115.700 -0.444 0.000 2.575 490 S HA 0.129 4.599 4.470 0.000 0.000 0.230 490 S C 0.731 175.035 174.600 -0.494 0.000 1.062 490 S CA 0.069 57.962 58.200 -0.511 0.000 0.913 490 S CB -0.171 62.870 63.200 -0.266 0.000 0.837 490 S HN 0.461 nan 8.310 nan 0.000 0.487 491 Y N -0.057 120.205 120.300 -0.063 0.000 4.729 491 Y HA -0.145 4.405 4.550 0.000 0.000 0.239 491 Y C 0.174 176.053 175.900 -0.035 0.000 1.043 491 Y CA -0.540 57.529 58.100 -0.053 0.000 2.045 491 Y CB -2.940 35.493 38.460 -0.046 0.000 1.599 491 Y HN 0.396 nan 8.280 nan 0.000 0.655 492 I N 1.525 122.137 120.570 0.069 0.000 2.519 492 I HA 0.061 4.231 4.170 0.000 0.000 0.287 492 I C 1.404 177.598 176.117 0.129 0.000 1.047 492 I CA -0.463 60.883 61.300 0.077 0.000 1.381 492 I CB 0.447 38.487 38.000 0.067 0.000 1.417 492 I HN 0.116 nan 8.210 nan 0.000 0.540 493 H N 6.689 125.764 119.070 0.007 0.000 3.460 493 H HA 0.250 4.806 4.556 0.000 0.000 0.238 493 H C -0.097 175.292 175.328 0.101 0.000 1.752 493 H CA -0.624 55.435 56.048 0.018 0.000 1.503 493 H CB -0.585 29.136 29.762 -0.069 0.000 1.830 493 H HN 0.589 nan 8.280 nan 0.000 0.614 494 A N 3.189 126.186 122.820 0.295 0.000 2.477 494 A HA 0.285 4.605 4.320 0.000 0.000 0.246 494 A C 0.298 178.019 177.584 0.227 0.000 1.078 494 A CA -0.185 52.018 52.037 0.277 0.000 0.770 494 A CB 0.277 19.378 19.000 0.168 0.000 1.011 494 A HN 0.780 nan 8.150 nan 0.000 0.494 495 E N 0.931 121.256 120.200 0.209 0.000 2.308 495 E HA 0.591 4.941 4.350 0.000 0.000 0.275 495 E C -0.764 175.856 176.600 0.033 0.000 0.890 495 E CA -0.666 55.762 56.400 0.047 0.000 0.754 495 E CB 1.871 31.547 29.700 -0.038 0.000 1.207 495 E HN 0.915 nan 8.360 nan 0.000 0.426 496 A N 3.157 125.924 122.820 -0.088 0.000 2.306 496 A HA 0.755 5.075 4.320 0.000 0.000 0.330 496 A C -1.644 175.882 177.584 -0.096 0.000 1.146 496 A CA -0.282 51.792 52.037 0.060 0.000 0.827 496 A CB 0.598 19.643 19.000 0.076 0.000 1.178 496 A HN 0.575 nan 8.150 nan 0.000 0.490 497 Y N -0.932 119.545 120.300 0.296 0.000 2.581 497 Y HA 0.543 5.094 4.550 0.000 0.000 0.337 497 Y C 0.413 176.365 175.900 0.086 0.000 1.108 497 Y CA -0.275 57.940 58.100 0.192 0.000 1.033 497 Y CB 1.938 40.470 38.460 0.120 0.000 1.318 497 Y HN 0.945 nan 8.280 nan 0.000 0.459 498 A N 1.100 123.861 122.820 -0.099 0.000 2.440 498 A HA 0.537 4.857 4.320 0.000 0.000 0.251 498 A C 1.243 178.818 177.584 -0.015 0.000 1.089 498 A CA 0.264 52.103 52.037 -0.330 0.000 0.779 498 A CB 0.123 18.769 19.000 -0.590 0.000 1.022 498 A HN 1.163 nan 8.150 nan 0.000 0.492 499 A N 2.460 125.296 122.820 0.028 0.000 1.997 499 A HA -0.044 4.277 4.320 0.000 0.000 0.221 499 A C 1.903 179.503 177.584 0.027 0.000 1.172 499 A CA 2.242 54.311 52.037 0.052 0.000 0.645 499 A CB -0.784 18.251 19.000 0.059 0.000 0.813 499 A HN 1.520 nan 8.150 nan 0.000 0.454 500 G N -0.828 107.983 108.800 0.018 0.000 3.141 500 G HA2 0.247 4.207 3.960 0.000 0.000 0.218 500 G HA3 0.247 4.207 3.960 0.000 0.000 0.218 500 G C 0.816 175.776 174.900 0.099 0.000 1.170 500 G CA 0.542 45.670 45.100 0.046 0.000 0.769 500 G HN 0.748 nan 8.290 nan 0.000 0.546 501 E N -0.063 120.177 120.200 0.066 0.000 2.476 501 E HA 0.143 4.493 4.350 0.000 0.000 0.199 501 E C 1.607 178.239 176.600 0.054 0.000 1.021 501 E CA -0.455 56.028 56.400 0.138 0.000 0.907 501 E CB 0.247 29.998 29.700 0.084 0.000 0.974 501 E HN 0.141 nan 8.360 nan 0.000 0.489 502 L N 1.761 122.939 121.223 -0.077 0.000 2.046 502 L HA -0.127 4.214 4.340 0.000 0.000 0.208 502 L C 1.985 178.771 176.870 -0.141 0.000 1.077 502 L CA 1.719 56.444 54.840 -0.191 0.000 0.747 502 L CB -0.613 41.350 42.059 -0.159 0.000 0.896 502 L HN 0.045 nan 8.230 nan 0.000 0.432 503 K N -1.070 119.236 120.400 -0.157 0.000 2.504 503 K HA -0.041 4.279 4.320 0.000 0.000 0.195 503 K C 1.085 177.470 176.600 -0.358 0.000 1.036 503 K CA 0.401 56.532 56.287 -0.260 0.000 0.984 503 K CB -0.026 32.286 32.500 -0.312 0.000 0.788 503 K HN 0.532 nan 8.250 nan 0.000 0.488 504 H N -1.554 117.486 119.070 -0.050 0.000 2.529 504 H HA 0.166 4.723 4.556 0.000 0.000 0.277 504 H C 1.258 176.568 175.328 -0.031 0.000 1.004 504 H CA 0.784 56.814 56.048 -0.030 0.000 1.167 504 H CB 1.219 30.972 29.762 -0.015 0.000 1.445 504 H HN 0.427 nan 8.280 nan 0.000 0.554 505 G N 1.009 109.816 108.800 0.011 0.000 3.819 505 G HA2 -0.154 3.806 3.960 0.000 0.000 0.210 505 G HA3 -0.154 3.806 3.960 0.000 0.000 0.210 505 G C -1.462 173.413 174.900 -0.041 0.000 1.018 505 G CA -0.366 44.733 45.100 -0.002 0.000 0.882 505 G HN 0.146 nan 8.290 nan 0.000 0.377 506 P HA 0.134 nan 4.420 nan 0.000 0.226 506 P C 1.884 179.076 177.300 -0.181 0.000 1.153 506 P CA 0.351 63.341 63.100 -0.184 0.000 0.777 506 P CB 0.078 31.429 31.700 -0.582 0.000 0.794 507 L N -0.024 121.103 121.223 -0.160 0.000 2.261 507 L HA -0.131 4.209 4.340 0.000 0.000 0.216 507 L C 2.165 178.993 176.870 -0.070 0.000 1.114 507 L CA 1.478 56.251 54.840 -0.112 0.000 0.777 507 L CB -1.334 40.666 42.059 -0.098 0.000 0.910 507 L HN -0.085 nan 8.230 nan 0.000 0.440 508 A N -0.814 121.972 122.820 -0.057 0.000 2.032 508 A HA -0.199 4.121 4.320 0.000 0.000 0.221 508 A C 2.150 179.714 177.584 -0.033 0.000 1.165 508 A CA 1.754 53.770 52.037 -0.036 0.000 0.645 508 A CB -0.823 18.163 19.000 -0.022 0.000 0.807 508 A HN 0.479 nan 8.150 nan 0.000 0.453 509 L N 0.138 121.341 121.223 -0.032 0.000 2.551 509 L HA -0.003 4.337 4.340 0.000 0.000 0.228 509 L C -0.073 176.775 176.870 -0.038 0.000 1.153 509 L CA -0.123 54.699 54.840 -0.030 0.000 0.851 509 L CB -0.433 41.626 42.059 0.001 0.000 0.959 509 L HN 0.264 nan 8.230 nan 0.000 0.451 510 I N 1.630 122.180 120.570 -0.034 0.000 2.436 510 I HA 0.076 4.246 4.170 0.000 0.000 0.289 510 I C 0.129 176.227 176.117 -0.032 0.000 1.083 510 I CA 0.126 61.410 61.300 -0.027 0.000 1.372 510 I CB 0.266 38.252 38.000 -0.023 0.000 1.408 510 I HN 0.116 nan 8.210 nan 0.000 0.516 511 D N 4.861 125.240 120.400 -0.035 0.000 2.758 511 D HA 0.471 5.112 4.640 0.000 0.000 0.279 511 D C 0.652 176.938 176.300 -0.023 0.000 1.111 511 D CA -0.617 53.365 54.000 -0.031 0.000 1.109 511 D CB 0.631 41.408 40.800 -0.038 0.000 1.428 511 D HN 0.278 nan 8.370 nan 0.000 0.586 512 A N -0.662 122.146 122.820 -0.019 0.000 2.125 512 A HA -0.090 4.230 4.320 0.000 0.000 0.219 512 A C 0.990 178.568 177.584 -0.010 0.000 1.156 512 A CA 1.357 53.386 52.037 -0.014 0.000 0.671 512 A CB -0.672 18.320 19.000 -0.012 0.000 0.794 512 A HN 0.556 nan 8.150 nan 0.000 0.459 513 D N -1.469 118.926 120.400 -0.010 0.000 2.349 513 D HA 0.105 4.745 4.640 0.000 0.000 0.214 513 D C 0.291 176.599 176.300 0.014 0.000 1.063 513 D CA -0.016 53.987 54.000 0.004 0.000 0.847 513 D CB 0.034 40.845 40.800 0.019 0.000 0.933 513 D HN 0.395 nan 8.370 nan 0.000 0.513 514 M N 2.601 122.204 119.600 0.005 0.000 2.143 514 M HA 0.256 4.736 4.480 0.000 0.000 0.348 514 M C -2.750 173.586 176.300 0.059 0.000 1.375 514 M CA -2.235 53.085 55.300 0.034 0.000 1.124 514 M CB 1.101 33.710 32.600 0.015 0.000 1.669 514 M HN -0.328 nan 8.290 nan 0.000 0.469 515 P HA 0.282 nan 4.420 nan 0.000 0.280 515 P C -1.304 176.090 177.300 0.156 0.000 1.244 515 P CA -0.365 62.822 63.100 0.145 0.000 0.784 515 P CB 0.813 32.571 31.700 0.096 0.000 0.913 516 V N 5.266 125.276 119.914 0.159 0.000 2.443 516 V HA 0.298 4.419 4.120 0.000 0.000 0.293 516 V C 0.005 176.134 176.094 0.059 0.000 1.021 516 V CA -0.497 61.854 62.300 0.085 0.000 0.848 516 V CB 1.381 33.246 31.823 0.070 0.000 0.998 516 V HN 0.345 nan 8.190 nan 0.000 0.424 517 I N 5.545 126.033 120.570 -0.138 0.000 2.385 517 I HA 0.591 4.761 4.170 0.000 0.000 0.294 517 I C -0.036 176.056 176.117 -0.041 0.000 0.988 517 I CA -0.138 61.051 61.300 -0.184 0.000 1.265 517 I CB 1.830 39.347 38.000 -0.805 0.000 1.388 517 I HN 0.320 nan 8.210 nan 0.000 0.480 518 V N 5.780 125.752 119.914 0.097 0.000 2.789 518 V HA 0.551 4.672 4.120 0.000 0.000 0.311 518 V C -0.629 175.585 176.094 0.200 0.000 1.073 518 V CA -0.973 61.397 62.300 0.117 0.000 0.921 518 V CB 2.239 34.090 31.823 0.047 0.000 1.009 518 V HN 0.425 nan 8.190 nan 0.000 0.426 519 V N 0.874 120.882 119.914 0.157 0.000 2.334 519 V HA 0.906 5.026 4.120 0.000 0.000 0.281 519 V C 0.304 176.387 176.094 -0.018 0.000 1.016 519 V CA -0.487 61.889 62.300 0.128 0.000 0.832 519 V CB 0.998 32.864 31.823 0.071 0.000 0.999 519 V HN 1.077 nan 8.190 nan 0.000 0.439 520 A N 6.900 129.739 122.820 0.031 0.000 2.978 520 A HA 0.792 5.112 4.320 0.000 0.000 0.341 520 A C -2.360 175.296 177.584 0.121 0.000 1.105 520 A CA -1.416 50.680 52.037 0.098 0.000 0.819 520 A CB 0.535 19.661 19.000 0.211 0.000 1.080 520 A HN 0.674 nan 8.150 nan 0.000 0.476 521 P HA 0.151 nan 4.420 nan 0.000 0.279 521 P C -0.456 176.918 177.300 0.123 0.000 1.276 521 P CA -0.649 62.465 63.100 0.024 0.000 0.801 521 P CB 0.767 32.346 31.700 -0.201 0.000 1.127 522 N N 1.111 119.916 118.700 0.174 0.000 2.508 522 N HA 0.114 4.854 4.740 0.000 0.000 0.253 522 N C -0.890 174.673 175.510 0.089 0.000 1.145 522 N CA 0.174 53.303 53.050 0.132 0.000 0.973 522 N CB -1.224 37.361 38.487 0.163 0.000 1.305 522 N HN 0.345 nan 8.380 nan 0.000 0.506 523 N N -0.109 118.628 118.700 0.062 0.000 2.357 523 N HA 0.079 4.819 4.740 0.000 0.000 0.284 523 N C 0.665 176.197 175.510 0.037 0.000 1.236 523 N CA -0.696 52.382 53.050 0.046 0.000 0.774 523 N CB 1.320 39.829 38.487 0.036 0.000 1.534 523 N HN 0.353 nan 8.380 nan 0.000 0.478 524 E N 1.804 122.025 120.200 0.035 0.000 2.333 524 E HA -0.199 4.152 4.350 0.000 0.000 0.200 524 E C 0.826 177.446 176.600 0.032 0.000 1.010 524 E CA 1.489 57.907 56.400 0.031 0.000 0.841 524 E CB -0.196 29.525 29.700 0.035 0.000 0.757 524 E HN 0.593 nan 8.360 nan 0.000 0.508 525 L N 0.183 121.428 121.223 0.036 0.000 2.567 525 L HA 0.120 4.460 4.340 0.000 0.000 0.225 525 L C 2.339 179.233 176.870 0.041 0.000 1.119 525 L CA -0.088 54.775 54.840 0.039 0.000 0.871 525 L CB -0.195 41.888 42.059 0.039 0.000 1.036 525 L HN 0.077 nan 8.230 nan 0.000 0.459 526 L N 1.261 122.507 121.223 0.038 0.000 2.042 526 L HA -0.212 4.128 4.340 0.000 0.000 0.210 526 L C 2.754 179.642 176.870 0.029 0.000 1.076 526 L CA 2.592 57.460 54.840 0.047 0.000 0.749 526 L CB -0.566 41.512 42.059 0.032 0.000 0.893 526 L HN 0.299 nan 8.230 nan 0.000 0.432 527 E N 0.017 120.221 120.200 0.005 0.000 2.047 527 E HA -0.281 4.069 4.350 0.000 0.000 0.191 527 E C 2.197 178.807 176.600 0.017 0.000 0.987 527 E CA 1.727 58.123 56.400 -0.007 0.000 0.799 527 E CB -0.784 28.909 29.700 -0.013 0.000 0.752 527 E HN 0.610 nan 8.360 nan 0.000 0.449 528 K N -0.475 119.941 120.400 0.027 0.000 2.152 528 K HA -0.002 4.318 4.320 0.000 0.000 0.206 528 K C 2.121 178.750 176.600 0.050 0.000 1.048 528 K CA 1.126 57.434 56.287 0.035 0.000 0.933 528 K CB -0.251 32.271 32.500 0.036 0.000 0.721 528 K HN 0.317 nan 8.250 nan 0.000 0.447 529 L N 1.338 122.601 121.223 0.066 0.000 2.056 529 L HA -0.174 4.166 4.340 0.000 0.000 0.207 529 L C 1.796 178.742 176.870 0.128 0.000 1.078 529 L CA 1.774 56.672 54.840 0.096 0.000 0.749 529 L CB -0.143 41.988 42.059 0.120 0.000 0.901 529 L HN 0.025 nan 8.230 nan 0.000 0.433 530 K N -1.255 119.228 120.400 0.137 0.000 2.032 530 K HA -0.194 4.126 4.320 0.000 0.000 0.209 530 K C 2.343 179.005 176.600 0.103 0.000 1.048 530 K CA 1.584 57.969 56.287 0.163 0.000 0.927 530 K CB -0.387 32.141 32.500 0.045 0.000 0.712 530 K HN 0.281 nan 8.250 nan 0.000 0.441 531 S N 0.936 116.672 115.700 0.060 0.000 2.374 531 S HA -0.194 4.276 4.470 0.000 0.000 0.227 531 S C 1.597 176.222 174.600 0.040 0.000 1.037 531 S CA 1.748 59.971 58.200 0.039 0.000 1.024 531 S CB -0.263 62.952 63.200 0.025 0.000 0.861 531 S HN 0.324 nan 8.310 nan 0.000 0.456 532 N N 0.197 118.927 118.700 0.050 0.000 2.244 532 N HA 0.081 4.821 4.740 0.000 0.000 0.183 532 N C 1.610 177.146 175.510 0.045 0.000 1.016 532 N CA 1.174 54.249 53.050 0.040 0.000 0.866 532 N CB -0.136 38.377 38.487 0.043 0.000 0.980 532 N HN 0.388 nan 8.380 nan 0.000 0.430 533 I N 1.090 121.703 120.570 0.072 0.000 2.179 533 I HA -0.255 3.915 4.170 0.000 0.000 0.242 533 I C 2.826 178.972 176.117 0.047 0.000 1.088 533 I CA 1.596 62.935 61.300 0.066 0.000 1.357 533 I CB -0.778 37.286 38.000 0.107 0.000 1.051 533 I HN 0.328 nan 8.210 nan 0.000 0.409 534 E N 1.456 121.689 120.200 0.055 0.000 2.048 534 E HA -0.338 4.012 4.350 0.000 0.000 0.202 534 E C 1.896 178.504 176.600 0.013 0.000 1.021 534 E CA 2.091 58.511 56.400 0.034 0.000 0.825 534 E CB -1.220 28.498 29.700 0.031 0.000 0.756 534 E HN 0.702 nan 8.360 nan 0.000 0.454 535 E N -0.127 120.077 120.200 0.006 0.000 2.130 535 E HA -0.134 4.216 4.350 0.000 0.000 0.196 535 E C 2.285 178.877 176.600 -0.013 0.000 0.998 535 E CA 1.412 57.806 56.400 -0.010 0.000 0.806 535 E CB -0.272 29.416 29.700 -0.020 0.000 0.738 535 E HN 0.387 nan 8.360 nan 0.000 0.459 536 V N 0.893 120.803 119.914 -0.007 0.000 2.283 536 V HA -0.270 3.850 4.120 0.000 0.000 0.243 536 V C 2.736 178.825 176.094 -0.009 0.000 1.039 536 V CA 2.422 64.717 62.300 -0.009 0.000 1.016 536 V CB -0.880 30.944 31.823 0.001 0.000 0.650 536 V HN 0.372 nan 8.190 nan 0.000 0.449 537 R N 0.196 120.692 120.500 -0.006 0.000 2.159 537 R HA -0.088 4.252 4.340 0.000 0.000 0.237 537 R C 2.281 178.574 176.300 -0.013 0.000 1.131 537 R CA 1.987 58.080 56.100 -0.012 0.000 0.982 537 R CB -1.647 28.646 30.300 -0.011 0.000 0.868 537 R HN 0.660 nan 8.270 nan 0.000 0.453 538 A N 0.853 123.667 122.820 -0.010 0.000 2.042 538 A HA -0.184 4.137 4.320 0.000 0.000 0.222 538 A C 2.056 179.631 177.584 -0.016 0.000 1.167 538 A CA 1.587 53.617 52.037 -0.013 0.000 0.649 538 A CB -0.140 18.852 19.000 -0.013 0.000 0.809 538 A HN 0.502 nan 8.150 nan 0.000 0.457 539 R N -2.457 118.032 120.500 -0.018 0.000 2.437 539 R HA 0.265 4.605 4.340 0.000 0.000 0.257 539 R C 0.988 177.277 176.300 -0.019 0.000 0.927 539 R CA 0.856 56.944 56.100 -0.020 0.000 1.078 539 R CB 0.370 30.656 30.300 -0.024 0.000 1.161 539 R HN 0.838 nan 8.270 nan 0.000 0.529 540 G N 0.339 109.128 108.800 -0.018 0.000 2.200 540 G HA2 -0.161 3.799 3.960 0.000 0.000 0.145 540 G HA3 -0.161 3.799 3.960 0.000 0.000 0.145 540 G C 0.274 175.163 174.900 -0.018 0.000 1.021 540 G CA -0.425 44.664 45.100 -0.018 0.000 0.720 540 G HN 0.392 nan 8.290 nan 0.000 0.494 541 G N 0.168 108.959 108.800 -0.016 0.000 2.358 541 G HA2 0.467 4.427 3.960 0.000 0.000 0.273 541 G HA3 0.467 4.427 3.960 0.000 0.000 0.273 541 G C 0.239 175.124 174.900 -0.025 0.000 1.215 541 G CA -0.171 44.923 45.100 -0.011 0.000 0.910 541 G HN 0.381 nan 8.290 nan 0.000 0.467 542 Q N 1.535 121.320 119.800 -0.025 0.000 2.320 542 Q HA 0.139 4.479 4.340 0.000 0.000 0.262 542 Q C -0.017 175.911 176.000 -0.120 0.000 1.225 542 Q CA -0.030 55.727 55.803 -0.077 0.000 0.916 542 Q CB 0.156 28.868 28.738 -0.043 0.000 1.417 542 Q HN 0.437 nan 8.270 nan 0.000 0.462 543 L N 3.594 124.714 121.223 -0.172 0.000 2.326 543 L HA 0.239 4.579 4.340 0.000 0.000 0.278 543 L C -0.875 175.771 176.870 -0.373 0.000 1.092 543 L CA -0.114 54.631 54.840 -0.160 0.000 0.810 543 L CB 0.437 42.434 42.059 -0.103 0.000 1.153 543 L HN 0.476 nan 8.230 nan 0.000 0.439 544 Y N 2.521 122.775 120.300 -0.077 0.000 2.376 544 Y HA 0.519 5.069 4.550 0.000 0.000 0.326 544 Y C -0.541 175.262 175.900 -0.162 0.000 0.970 544 Y CA -0.900 57.124 58.100 -0.127 0.000 1.248 544 Y CB 1.595 40.010 38.460 -0.075 0.000 1.117 544 Y HN 0.130 nan 8.280 nan 0.000 0.476 545 V N 4.548 124.352 119.914 -0.184 0.000 2.376 545 V HA 0.325 4.445 4.120 0.000 0.000 0.287 545 V C -0.764 175.193 176.094 -0.228 0.000 1.015 545 V CA -0.995 61.169 62.300 -0.225 0.000 0.834 545 V CB 0.865 32.391 31.823 -0.496 0.000 1.001 545 V HN 0.499 nan 8.190 nan 0.000 0.428 546 F N 3.796 123.749 119.950 0.006 0.000 2.334 546 F HA 0.701 5.228 4.527 0.000 0.000 0.365 546 F C 0.720 176.664 175.800 0.241 0.000 1.124 546 F CA -0.112 57.964 58.000 0.126 0.000 1.166 546 F CB 1.038 40.158 39.000 0.200 0.000 1.355 546 F HN 0.579 nan 8.300 nan 0.000 0.532 547 A N 2.827 125.825 122.820 0.297 0.000 2.355 547 A HA 0.431 4.751 4.320 0.000 0.000 0.317 547 A C -0.769 177.040 177.584 0.375 0.000 1.094 547 A CA -0.908 51.342 52.037 0.354 0.000 0.764 547 A CB 0.730 19.916 19.000 0.311 0.000 1.230 547 A HN 0.624 nan 8.150 nan 0.000 0.448 548 D N 1.739 122.390 120.400 0.417 0.000 2.571 548 D HA -0.013 4.627 4.640 0.000 0.000 0.231 548 D C 1.324 177.738 176.300 0.189 0.000 1.133 548 D CA 0.844 55.033 54.000 0.315 0.000 0.862 548 D CB 0.533 41.517 40.800 0.306 0.000 1.179 548 D HN 0.589 nan 8.370 nan 0.000 0.474 549 Q N 1.908 121.741 119.800 0.055 0.000 2.062 549 Q HA -0.274 4.066 4.340 0.000 0.000 0.216 549 Q C 0.470 176.504 176.000 0.058 0.000 1.052 549 Q CA 2.442 58.235 55.803 -0.017 0.000 0.910 549 Q CB -0.133 28.464 28.738 -0.235 0.000 1.043 549 Q HN 0.710 nan 8.270 nan 0.000 0.425 550 D N -1.310 119.145 120.400 0.091 0.000 2.427 550 D HA 0.191 4.831 4.640 0.000 0.000 0.224 550 D C 0.849 177.195 176.300 0.076 0.000 1.157 550 D CA 0.483 54.541 54.000 0.097 0.000 0.828 550 D CB 0.355 41.227 40.800 0.121 0.000 0.974 550 D HN 0.263 nan 8.370 nan 0.000 0.498 551 A N 1.006 123.883 122.820 0.095 0.000 2.070 551 A HA 0.148 4.468 4.320 0.000 0.000 0.220 551 A C 1.929 179.408 177.584 -0.175 0.000 1.159 551 A CA 1.376 53.421 52.037 0.013 0.000 0.656 551 A CB -0.401 18.669 19.000 0.116 0.000 0.800 551 A HN 0.406 nan 8.150 nan 0.000 0.453 552 G N -2.657 106.077 108.800 -0.108 0.000 2.131 552 G HA2 -0.186 3.774 3.960 0.000 0.000 0.201 552 G HA3 -0.186 3.774 3.960 0.000 0.000 0.201 552 G C -0.097 174.688 174.900 -0.192 0.000 1.000 552 G CA -0.204 44.809 45.100 -0.144 0.000 0.680 552 G HN 0.310 nan 8.290 nan 0.000 0.514 553 F N -0.043 119.918 119.950 0.018 0.000 2.456 553 F HA 0.542 5.070 4.527 0.000 0.000 0.358 553 F C 1.063 176.858 175.800 -0.009 0.000 1.095 553 F CA 0.250 58.253 58.000 0.006 0.000 1.216 553 F CB 1.265 40.270 39.000 0.009 0.000 1.125 553 F HN 0.252 nan 8.300 nan 0.000 0.549 554 V N 3.375 123.397 119.914 0.181 0.000 2.406 554 V HA 0.326 4.446 4.120 0.000 0.000 0.272 554 V C 0.363 176.490 176.094 0.055 0.000 1.043 554 V CA -0.799 61.553 62.300 0.086 0.000 0.915 554 V CB 0.441 32.288 31.823 0.040 0.000 0.988 554 V HN 0.764 nan 8.190 nan 0.000 0.466 555 S N 3.681 119.386 115.700 0.008 0.000 2.558 555 S HA 0.404 4.874 4.470 0.000 0.000 0.291 555 S C 0.799 175.355 174.600 -0.074 0.000 1.306 555 S CA 0.421 58.585 58.200 -0.060 0.000 1.056 555 S CB 0.396 63.548 63.200 -0.080 0.000 0.836 555 S HN 1.079 nan 8.310 nan 0.000 0.504 556 S N 1.174 116.800 115.700 -0.123 0.000 3.331 556 S HA 0.368 4.838 4.470 0.000 0.000 0.316 556 S C 0.541 175.031 174.600 -0.184 0.000 1.104 556 S CA -0.919 57.209 58.200 -0.119 0.000 0.977 556 S CB 0.235 63.383 63.200 -0.087 0.000 1.370 556 S HN 0.672 nan 8.310 nan 0.000 0.731 557 D N 1.801 122.111 120.400 -0.151 0.000 2.144 557 D HA 0.013 4.653 4.640 0.000 0.000 0.207 557 D C -0.131 176.046 176.300 -0.204 0.000 0.970 557 D CA 0.959 54.858 54.000 -0.169 0.000 0.853 557 D CB -0.247 40.496 40.800 -0.093 0.000 1.007 557 D HN 0.363 nan 8.370 nan 0.000 0.469 558 N N 0.730 119.353 118.700 -0.128 0.000 3.301 558 N HA 0.225 4.966 4.740 0.000 0.000 0.289 558 N C -0.549 174.889 175.510 -0.121 0.000 1.343 558 N CA 0.023 53.016 53.050 -0.094 0.000 1.136 558 N CB 1.102 39.555 38.487 -0.056 0.000 1.402 558 N HN 0.084 nan 8.380 nan 0.000 0.516 559 M N 1.155 120.637 119.600 -0.197 0.000 2.483 559 M HA 0.117 4.597 4.480 0.000 0.000 0.251 559 M C -1.687 174.471 176.300 -0.236 0.000 1.157 559 M CA -0.336 54.862 55.300 -0.171 0.000 0.837 559 M CB 0.207 32.739 32.600 -0.112 0.000 2.535 559 M HN 0.141 nan 8.290 nan 0.000 0.374 560 H N 2.866 121.724 119.070 -0.354 0.000 2.944 560 H HA 0.346 4.902 4.556 0.000 0.000 0.278 560 H C -0.235 174.935 175.328 -0.263 0.000 1.083 560 H CA 0.078 55.950 56.048 -0.293 0.000 1.479 560 H CB 0.181 29.728 29.762 -0.357 0.000 1.486 560 H HN 0.377 nan 8.280 nan 0.000 0.493 561 I N 4.720 125.218 120.570 -0.119 0.000 2.365 561 I HA 0.153 4.323 4.170 0.000 0.000 0.291 561 I C 0.188 176.216 176.117 -0.149 0.000 1.004 561 I CA -0.628 60.581 61.300 -0.151 0.000 1.311 561 I CB 0.686 38.640 38.000 -0.078 0.000 1.401 561 I HN 0.452 nan 8.210 nan 0.000 0.491 562 I N 4.734 125.157 120.570 -0.244 0.000 2.354 562 I HA 0.285 4.455 4.170 0.000 0.000 0.286 562 I C 0.724 176.803 176.117 -0.064 0.000 1.007 562 I CA -0.186 60.972 61.300 -0.237 0.000 1.167 562 I CB 1.420 39.048 38.000 -0.619 0.000 1.320 562 I HN 0.705 nan 8.210 nan 0.000 0.458 563 E N 7.546 127.744 120.200 -0.004 0.000 2.259 563 E HA 0.610 4.960 4.350 0.000 0.000 0.281 563 E C -0.544 176.091 176.600 0.059 0.000 1.027 563 E CA -0.564 55.864 56.400 0.047 0.000 0.838 563 E CB 0.991 30.709 29.700 0.031 0.000 1.066 563 E HN 0.488 nan 8.360 nan 0.000 0.401 564 M N 2.977 122.635 119.600 0.097 0.000 2.336 564 M HA 0.380 4.861 4.480 0.000 0.000 0.342 564 M C -2.409 173.935 176.300 0.073 0.000 1.128 564 M CA -2.490 52.860 55.300 0.084 0.000 1.016 564 M CB 1.364 34.038 32.600 0.123 0.000 1.665 564 M HN 0.280 nan 8.290 nan 0.000 0.445 565 P HA 0.014 nan 4.420 nan 0.000 0.274 565 P C -0.403 176.941 177.300 0.073 0.000 1.264 565 P CA 0.060 63.189 63.100 0.047 0.000 0.795 565 P CB 0.297 32.088 31.700 0.151 0.000 1.064 566 H N -0.986 118.140 119.070 0.094 0.000 2.652 566 H HA 0.354 4.911 4.556 0.001 0.000 0.349 566 H C -0.300 174.929 175.328 -0.165 0.000 1.099 566 H CA 0.107 56.165 56.048 0.017 0.000 1.417 566 H CB 0.584 30.349 29.762 0.004 0.000 1.457 566 H HN 0.038 nan 8.280 nan 0.000 0.568 567 V N 3.437 123.321 119.914 -0.049 0.000 2.808 567 V HA 0.110 4.230 4.120 0.000 0.000 0.308 567 V C -0.794 175.228 176.094 -0.120 0.000 1.099 567 V CA -0.881 61.223 62.300 -0.326 0.000 0.920 567 V CB 2.093 33.411 31.823 -0.841 0.000 1.014 567 V HN 0.782 nan 8.190 nan 0.000 0.425 568 E N 3.335 123.452 120.200 -0.138 0.000 2.529 568 E HA 0.002 4.352 4.350 0.000 0.000 0.259 568 E C 0.879 177.449 176.600 -0.050 0.000 0.966 568 E CA 0.399 56.749 56.400 -0.084 0.000 0.937 568 E CB 0.611 30.252 29.700 -0.098 0.000 0.923 568 E HN 0.711 nan 8.360 nan 0.000 0.468 569 E N 2.860 123.052 120.200 -0.013 0.000 2.187 569 E HA -0.194 4.157 4.350 0.000 0.000 0.199 569 E C 1.444 178.072 176.600 0.047 0.000 1.004 569 E CA 0.939 57.360 56.400 0.034 0.000 0.813 569 E CB -0.051 29.669 29.700 0.035 0.000 0.736 569 E HN 0.425 nan 8.360 nan 0.000 0.468 570 V N 0.334 120.228 119.914 -0.033 0.000 2.951 570 V HA -0.044 4.076 4.120 0.000 0.000 0.255 570 V C 1.835 177.851 176.094 -0.130 0.000 1.088 570 V CA 1.354 63.576 62.300 -0.130 0.000 1.109 570 V CB -0.299 31.375 31.823 -0.248 0.000 0.724 570 V HN 0.502 nan 8.190 nan 0.000 0.471 571 I N -2.486 118.055 120.570 -0.049 0.000 3.956 571 I HA 0.443 4.613 4.170 0.000 0.000 0.333 571 I C 2.053 178.271 176.117 0.169 0.000 1.302 571 I CA 0.674 61.989 61.300 0.026 0.000 1.122 571 I CB -0.305 37.667 38.000 -0.047 0.000 1.013 571 I HN 0.051 nan 8.210 nan 0.000 0.405 572 A N 2.703 125.644 122.820 0.202 0.000 1.896 572 A HA -0.129 4.191 4.320 0.000 0.000 0.220 572 A C 0.203 178.059 177.584 0.454 0.000 1.206 572 A CA 2.266 54.520 52.037 0.361 0.000 0.647 572 A CB -2.032 17.134 19.000 0.277 0.000 0.828 572 A HN 0.379 nan 8.150 nan 0.000 0.455 573 P HA -0.184 nan 4.420 nan 0.000 0.214 573 P C 1.371 178.846 177.300 0.291 0.000 1.163 573 P CA 1.449 64.706 63.100 0.262 0.000 0.889 573 P CB -0.185 31.619 31.700 0.172 0.000 0.790 574 I N -2.816 117.928 120.570 0.291 0.000 2.315 574 I HA -0.223 3.948 4.170 0.000 0.000 0.248 574 I C 2.310 178.576 176.117 0.249 0.000 1.117 574 I CA 1.316 62.749 61.300 0.221 0.000 1.404 574 I CB -0.618 37.485 38.000 0.171 0.000 1.071 574 I HN -0.111 nan 8.210 nan 0.000 0.419 575 F N 0.746 120.759 119.950 0.104 0.000 2.113 575 F HA -0.265 4.262 4.527 0.001 0.000 0.297 575 F C 2.288 178.043 175.800 -0.075 0.000 1.103 575 F CA 1.533 59.536 58.000 0.005 0.000 1.248 575 F CB -0.147 38.860 39.000 0.013 0.000 0.999 575 F HN -0.086 nan 8.300 nan 0.000 0.475 576 Y N -0.083 120.286 120.300 0.115 0.000 2.571 576 Y HA -0.128 4.423 4.550 0.000 0.000 0.294 576 Y C 2.423 178.256 175.900 -0.111 0.000 1.141 576 Y CA 1.315 59.393 58.100 -0.037 0.000 1.308 576 Y CB -0.738 37.758 38.460 0.060 0.000 1.002 576 Y HN -0.010 nan 8.280 nan 0.000 0.551 577 T N -0.906 113.700 114.554 0.087 0.000 2.777 577 T HA -0.146 4.204 4.350 0.000 0.000 0.266 577 T C 2.115 176.753 174.700 -0.104 0.000 1.040 577 T CA 1.513 63.636 62.100 0.038 0.000 1.141 577 T CB -0.517 68.492 68.868 0.235 0.000 0.868 577 T HN 0.099 nan 8.240 nan 0.000 0.444 578 V N 2.610 122.433 119.914 -0.151 0.000 2.407 578 V HA -0.119 4.001 4.120 0.000 0.000 0.248 578 V C -0.454 175.485 176.094 -0.258 0.000 1.055 578 V CA 1.523 63.699 62.300 -0.207 0.000 1.049 578 V CB -1.790 29.885 31.823 -0.246 0.000 0.662 578 V HN 0.380 nan 8.190 nan 0.000 0.455 579 P HA -0.167 nan 4.420 nan 0.000 0.215 579 P C 1.864 178.932 177.300 -0.386 0.000 1.157 579 P CA 1.682 64.525 63.100 -0.428 0.000 0.874 579 P CB -0.107 31.087 31.700 -0.843 0.000 0.790 580 L N -1.279 119.724 121.223 -0.366 0.000 2.131 580 L HA -0.079 4.261 4.340 0.000 0.000 0.206 580 L C 2.821 179.606 176.870 -0.141 0.000 1.087 580 L CA 1.109 55.825 54.840 -0.207 0.000 0.767 580 L CB -1.305 40.687 42.059 -0.110 0.000 0.917 580 L HN -0.026 nan 8.230 nan 0.000 0.441 581 Q N 0.673 120.374 119.800 -0.165 0.000 2.029 581 Q HA -0.252 4.089 4.340 0.000 0.000 0.209 581 Q C 2.407 178.363 176.000 -0.073 0.000 0.999 581 Q CA 1.841 57.561 55.803 -0.138 0.000 0.857 581 Q CB -0.345 28.302 28.738 -0.153 0.000 0.926 581 Q HN 0.487 nan 8.270 nan 0.000 0.415 582 L N 0.044 121.230 121.223 -0.063 0.000 2.083 582 L HA -0.214 4.126 4.340 0.000 0.000 0.209 582 L C 2.416 179.394 176.870 0.181 0.000 1.083 582 L CA 0.437 55.322 54.840 0.075 0.000 0.752 582 L CB -0.396 41.703 42.059 0.066 0.000 0.899 582 L HN 0.284 nan 8.230 nan 0.000 0.433 583 L N 0.205 121.468 121.223 0.065 0.000 1.994 583 L HA -0.177 4.164 4.340 0.000 0.000 0.208 583 L C 2.668 179.513 176.870 -0.041 0.000 1.071 583 L CA 2.133 56.986 54.840 0.021 0.000 0.745 583 L CB -0.773 41.277 42.059 -0.016 0.000 0.892 583 L HN 0.147 nan 8.230 nan 0.000 0.431 584 A N -1.391 121.396 122.820 -0.054 0.000 1.908 584 A HA -0.321 4.000 4.320 0.000 0.000 0.218 584 A C 2.340 179.871 177.584 -0.089 0.000 1.181 584 A CA 2.041 54.020 52.037 -0.097 0.000 0.627 584 A CB -1.338 17.597 19.000 -0.109 0.000 0.818 584 A HN 0.685 nan 8.150 nan 0.000 0.445 585 Y N -0.277 119.924 120.300 -0.166 0.000 2.181 585 Y HA -0.231 4.320 4.550 0.000 0.000 0.288 585 Y C 2.489 178.232 175.900 -0.262 0.000 1.146 585 Y CA 2.265 60.228 58.100 -0.229 0.000 1.164 585 Y CB -0.273 38.047 38.460 -0.234 0.000 0.982 585 Y HN 0.486 nan 8.280 nan 0.000 0.515 586 H N -1.507 117.514 119.070 -0.081 0.000 2.448 586 H HA -0.023 4.533 4.556 0.000 0.000 0.292 586 H C 2.423 177.642 175.328 -0.182 0.000 1.035 586 H CA 1.446 57.413 56.048 -0.135 0.000 1.349 586 H CB -0.143 29.626 29.762 0.011 0.000 1.425 586 H HN 0.300 nan 8.280 nan 0.000 0.539 587 V N 1.321 121.171 119.914 -0.106 0.000 2.295 587 V HA -0.253 3.868 4.120 0.000 0.000 0.246 587 V C 2.878 178.854 176.094 -0.197 0.000 1.049 587 V CA 1.526 63.731 62.300 -0.159 0.000 1.024 587 V CB -1.050 30.621 31.823 -0.253 0.000 0.648 587 V HN 0.421 nan 8.190 nan 0.000 0.447 588 A N 0.089 122.745 122.820 -0.274 0.000 1.884 588 A HA -0.243 4.077 4.320 0.000 0.000 0.219 588 A C 2.244 179.635 177.584 -0.322 0.000 1.197 588 A CA 2.295 54.125 52.037 -0.344 0.000 0.637 588 A CB -0.717 18.038 19.000 -0.408 0.000 0.827 588 A HN 0.502 nan 8.150 nan 0.000 0.450 589 L N -1.090 119.910 121.223 -0.371 0.000 2.042 589 L HA -0.206 4.134 4.340 0.000 0.000 0.210 589 L C 2.497 179.278 176.870 -0.148 0.000 1.076 589 L CA 0.943 55.612 54.840 -0.285 0.000 0.749 589 L CB -0.620 41.242 42.059 -0.329 0.000 0.893 589 L HN 0.298 nan 8.230 nan 0.000 0.432 590 I N 0.208 120.712 120.570 -0.110 0.000 2.163 590 I HA -0.285 3.885 4.170 0.000 0.000 0.243 590 I C 2.496 178.570 176.117 -0.071 0.000 1.085 590 I CA 1.498 62.764 61.300 -0.057 0.000 1.347 590 I CB -0.818 37.171 38.000 -0.018 0.000 1.044 590 I HN 0.194 nan 8.210 nan 0.000 0.408 591 K N 0.251 120.585 120.400 -0.110 0.000 2.362 591 K HA 0.006 4.326 4.320 0.000 0.000 0.200 591 K C 1.267 177.800 176.600 -0.112 0.000 1.046 591 K CA 0.909 57.125 56.287 -0.117 0.000 0.952 591 K CB -0.391 32.007 32.500 -0.171 0.000 0.753 591 K HN 0.512 nan 8.250 nan 0.000 0.466 592 G N 2.804 111.528 108.800 -0.127 0.000 2.198 592 G HA2 -0.278 3.683 3.960 0.000 0.000 0.257 592 G HA3 -0.278 3.683 3.960 0.000 0.000 0.257 592 G C 0.323 175.158 174.900 -0.108 0.000 1.042 592 G CA 0.759 45.801 45.100 -0.097 0.000 0.791 592 G HN 0.455 nan 8.290 nan 0.000 0.502 593 T N -2.784 111.653 114.554 -0.195 0.000 2.810 593 T HA 0.542 4.892 4.350 0.000 0.000 0.277 593 T C -0.008 174.589 174.700 -0.171 0.000 0.973 593 T CA -0.097 61.880 62.100 -0.206 0.000 0.949 593 T CB 2.029 70.590 68.868 -0.511 0.000 1.075 593 T HN 0.060 nan 8.240 nan 0.000 0.537 594 D N 0.728 121.069 120.400 -0.099 0.000 2.453 594 D HA 0.200 4.840 4.640 0.000 0.000 0.223 594 D C 1.232 177.441 176.300 -0.152 0.000 1.183 594 D CA -0.291 53.654 54.000 -0.091 0.000 0.933 594 D CB 0.639 41.407 40.800 -0.053 0.000 1.038 594 D HN 0.345 nan 8.370 nan 0.000 0.513 595 V N 3.601 123.353 119.914 -0.270 0.000 2.343 595 V HA -0.199 3.921 4.120 0.000 0.000 0.247 595 V C 1.814 177.812 176.094 -0.160 0.000 1.051 595 V CA 1.410 63.519 62.300 -0.318 0.000 1.036 595 V CB -0.135 31.294 31.823 -0.656 0.000 0.654 595 V HN 0.456 nan 8.190 nan 0.000 0.451 596 D N -0.479 119.863 120.400 -0.097 0.000 2.137 596 D HA -0.048 4.592 4.640 0.000 0.000 0.202 596 D C 1.399 177.661 176.300 -0.064 0.000 0.970 596 D CA 0.990 54.994 54.000 0.007 0.000 0.837 596 D CB 0.012 40.902 40.800 0.151 0.000 0.981 596 D HN 0.473 nan 8.370 nan 0.000 0.475 597 Q N 0.917 120.609 119.800 -0.180 0.000 2.849 597 Q HA 0.240 4.581 4.340 0.000 0.000 0.289 597 Q C -2.448 173.440 176.000 -0.187 0.000 1.012 597 Q CA -1.628 53.922 55.803 -0.421 0.000 0.899 597 Q CB 2.201 30.314 28.738 -1.042 0.000 1.235 597 Q HN 0.143 nan 8.270 nan 0.000 0.457 598 P HA -0.070 nan 4.420 nan 0.000 0.269 598 P C -0.424 176.988 177.300 0.187 0.000 1.209 598 P CA -0.027 63.182 63.100 0.182 0.000 0.776 598 P CB 0.651 32.469 31.700 0.196 0.000 0.876 599 R N 2.104 122.674 120.500 0.116 0.000 2.734 599 R HA 0.056 4.396 4.340 0.000 0.000 0.266 599 R C 0.278 176.520 176.300 -0.097 0.000 1.044 599 R CA 0.111 56.201 56.100 -0.016 0.000 1.128 599 R CB -0.747 29.443 30.300 -0.184 0.000 1.010 599 R HN 0.545 nan 8.270 nan 0.000 0.461 600 N N -0.779 117.867 118.700 -0.090 0.000 2.863 600 N HA -0.208 4.533 4.740 0.000 0.000 0.245 600 N C -0.869 174.560 175.510 -0.135 0.000 1.001 600 N CA 0.916 53.915 53.050 -0.086 0.000 0.901 600 N CB -0.929 37.518 38.487 -0.068 0.000 1.124 600 N HN 0.465 nan 8.380 nan 0.000 0.582 601 L N -0.981 120.016 121.223 -0.376 0.000 2.194 601 L HA 0.966 5.307 4.340 0.000 0.000 0.248 601 L C -0.181 175.750 176.870 -1.565 0.000 1.071 601 L CA -0.761 53.634 54.840 -0.742 0.000 0.901 601 L CB 1.949 43.815 42.059 -0.321 0.000 1.497 601 L HN 0.089 nan 8.230 nan 0.000 0.442 602 A N 0.141 121.814 122.820 -1.913 0.000 2.493 602 A HA 0.500 4.821 4.320 0.000 0.000 0.300 602 A C -1.809 175.442 177.584 -0.555 0.000 1.152 602 A CA -0.589 50.766 52.037 -1.137 0.000 0.643 602 A CB 1.685 19.917 19.000 -1.279 0.000 1.316 602 A HN 0.499 nan 8.150 nan 0.000 0.469 603 K N 0.979 121.278 120.400 -0.168 0.000 2.201 603 K HA 0.555 4.875 4.320 0.000 0.000 0.278 603 K C -0.936 175.717 176.600 0.088 0.000 1.027 603 K CA 0.581 56.878 56.287 0.016 0.000 0.909 603 K CB 0.477 33.074 32.500 0.163 0.000 1.062 603 K HN 1.243 nan 8.250 nan 0.000 0.465 604 S N 0.738 116.523 115.700 0.141 0.000 2.964 604 S HA -0.119 4.351 4.470 0.000 0.000 0.829 604 S C -0.403 174.325 174.600 0.213 0.000 0.843 604 S CA -0.276 58.009 58.200 0.142 0.000 1.458 604 S CB -0.928 62.324 63.200 0.086 0.000 1.044 604 S HN 0.478 nan 8.310 nan 0.000 0.490 605 V N 3.879 123.889 119.914 0.161 0.000 2.223 605 V HA 0.206 4.327 4.120 0.000 0.000 0.249 605 V C 1.750 177.831 176.094 -0.022 0.000 1.233 605 V CA 0.499 62.821 62.300 0.036 0.000 1.131 605 V CB -0.173 31.653 31.823 0.005 0.000 1.298 605 V HN 1.100 nan 8.190 nan 0.000 0.498 606 T N -0.055 114.484 114.554 -0.025 0.000 3.100 606 T HA 0.195 4.545 4.350 0.000 0.000 0.253 606 T C 0.389 175.068 174.700 -0.035 0.000 1.118 606 T CA -0.010 62.079 62.100 -0.018 0.000 1.058 606 T CB 0.261 69.129 68.868 -0.000 0.000 0.953 606 T HN 0.263 nan 8.240 nan 0.000 0.515 607 V N 1.444 121.306 119.914 -0.087 0.000 2.604 607 V HA 0.390 4.510 4.120 0.000 0.000 0.305 607 V C 0.310 176.332 176.094 -0.119 0.000 1.043 607 V CA -1.376 60.876 62.300 -0.080 0.000 0.888 607 V CB 1.989 33.759 31.823 -0.089 0.000 0.995 607 V HN 0.423 nan 8.190 nan 0.000 0.429 608 E N 0.000 120.160 120.200 -0.067 0.000 2.725 608 E HA 0.000 4.350 4.350 0.000 0.000 0.291 608 E CA 0.000 56.362 56.400 -0.063 0.000 0.976 608 E CB 0.000 29.702 29.700 0.003 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440