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 6r1r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNQNLLVTKR DGSTERINLD KIHRVLDWAA EGLHNVSISQ VELRSHIQFY DATA SEQUENCE DGIKTSDIHE TIIKAAADLI SRDAPDYQYL AARLAIFHLR KKAYGQFEPP DATA SEQUENCE ALYDHVVKMV EMGKYDNHLL EDYTEEEFKQ MDTFIDHDRD MTFSYAAVKQ DATA SEQUENCE LEGKYLVQNR VTGEIYESAQ FLYILVAACL FSNYPRETRL QYVKRFYDAV DATA SEQUENCE STFKISLPTP IMSGVRTPTR QFSScVLIEC GDSLDSINAT SSAIVKYVSQ DATA SEQUENCE RAGIGINAGR IRALGSPIRG GEAFHTGCIP FYKHFQTAVK SCSQGGVRGG DATA SEQUENCE AATLFYPMWH LEVESLLVLK NNRGVEGNRV RHMDYGVQIN KLMYTRLLKG DATA SEQUENCE EDITLFSPSD VPGLYDAFFA DQEEFERLYT KYEKDDSIRK QRVKAVELFS DATA SEQUENCE LMMQERASTG RIYIQNVDHC NTHSPFDPAI APVRQSNLCL DIALPTKPLN DATA SEQUENCE DVNDENGEIA LcTLSAFNLG AINNLDELEE LAILAVRALD ALLDYQDYPI DATA SEQUENCE PAAKRGAMGR RTLGIGVINF AYYLAKHGKR YSDGSANNLT HKTFEAIQYY DATA SEQUENCE LLKASNELAK EQGACPWFNE TTYAKGILPI DTYKKDLDTI ANEPLHYDWE DATA SEQUENCE ALRESIKTHG LRNSTLSALM PSETSSQISN ATNGIEPPRG YVSIKASKDG DATA SEQUENCE ILRQVVPDYE HLHDAYELLW EMPGNDGYLQ LVGIMQKFID QSISANTNYD DATA SEQUENCE PSRFPSGKVP MQQLLKDLLT AYKFGVKTLY YQNTRDGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 N N 1.068 119.772 118.700 0.006 0.000 2.471 2 N HA 0.121 4.861 4.740 0.001 0.000 0.253 2 N C -0.913 174.601 175.510 0.006 0.000 1.451 2 N CA 0.056 53.109 53.050 0.005 0.000 1.068 2 N CB 0.723 39.212 38.487 0.003 0.000 1.396 2 N HN 0.329 nan 8.380 nan 0.000 0.524 3 Q N 0.363 120.168 119.800 0.008 0.000 2.613 3 Q HA 0.276 4.617 4.340 0.001 0.000 0.228 3 Q C 0.951 176.957 176.000 0.010 0.000 1.318 3 Q CA 0.076 55.885 55.803 0.011 0.000 0.907 3 Q CB 0.012 28.759 28.738 0.014 0.000 1.593 3 Q HN 0.120 nan 8.270 nan 0.000 0.559 4 N N 2.094 120.797 118.700 0.005 0.000 2.131 4 N HA 0.115 4.856 4.740 0.001 0.000 0.190 4 N C -0.052 175.452 175.510 -0.010 0.000 1.055 4 N CA 0.441 53.490 53.050 -0.003 0.000 0.853 4 N CB 0.121 38.603 38.487 -0.008 0.000 1.035 4 N HN 0.466 nan 8.380 nan 0.000 0.440 5 L N 0.615 121.829 121.223 -0.015 0.000 1.347 5 L HA -0.103 4.238 4.340 0.001 0.000 0.622 5 L C -1.397 175.434 176.870 -0.064 0.000 1.009 5 L CA -0.292 54.529 54.840 -0.033 0.000 1.309 5 L CB -0.605 41.432 42.059 -0.037 0.000 2.163 5 L HN 0.128 nan 8.230 nan 0.000 1.060 6 L N 4.112 125.300 121.223 -0.058 0.000 2.278 6 L HA 0.445 4.785 4.340 0.001 0.000 0.287 6 L C 0.528 177.333 176.870 -0.108 0.000 1.072 6 L CA -0.681 54.119 54.840 -0.067 0.000 0.819 6 L CB 0.985 43.020 42.059 -0.040 0.000 1.176 6 L HN 0.153 nan 8.230 nan 0.000 0.435 7 V N 2.052 121.890 119.914 -0.127 0.000 2.732 7 V HA 0.290 4.411 4.120 0.001 0.000 0.297 7 V C 0.732 176.754 176.094 -0.120 0.000 1.060 7 V CA -0.370 61.829 62.300 -0.168 0.000 1.038 7 V CB 1.548 33.261 31.823 -0.183 0.000 1.003 7 V HN 0.889 nan 8.190 nan 0.000 0.481 8 T N 2.540 117.021 114.554 -0.122 0.000 2.823 8 T HA 0.536 4.886 4.350 0.001 0.000 0.279 8 T C -0.504 174.149 174.700 -0.078 0.000 0.998 8 T CA -0.910 61.143 62.100 -0.078 0.000 0.994 8 T CB 1.325 70.162 68.868 -0.053 0.000 0.960 8 T HN 0.570 nan 8.240 nan 0.000 0.448 9 K N 2.085 122.452 120.400 -0.054 0.000 2.132 9 K HA 0.433 4.753 4.320 0.001 0.000 0.241 9 K C -0.021 176.560 176.600 -0.032 0.000 1.000 9 K CA -1.063 55.197 56.287 -0.046 0.000 0.911 9 K CB 0.857 33.338 32.500 -0.032 0.000 1.093 9 K HN 0.562 nan 8.250 nan 0.000 0.460 10 R N 1.955 122.440 120.500 -0.024 0.000 2.483 10 R HA -0.045 4.296 4.340 0.001 0.000 0.329 10 R C -0.753 175.540 176.300 -0.011 0.000 0.961 10 R CA 0.262 56.353 56.100 -0.015 0.000 1.041 10 R CB -0.727 29.567 30.300 -0.010 0.000 0.930 10 R HN 0.446 nan 8.270 nan 0.000 0.413 11 D N 2.677 123.071 120.400 -0.009 0.000 3.939 11 D HA -0.193 4.447 4.640 0.001 0.000 0.187 11 D C 0.879 177.175 176.300 -0.006 0.000 1.256 11 D CA 1.788 55.784 54.000 -0.007 0.000 0.750 11 D CB -0.551 40.247 40.800 -0.003 0.000 0.973 11 D HN 0.895 nan 8.370 nan 0.000 0.481 12 G N -0.578 108.216 108.800 -0.010 0.000 3.934 12 G HA2 0.160 4.121 3.960 0.001 0.000 0.212 12 G HA3 0.160 4.121 3.960 0.001 0.000 0.212 12 G C 0.834 175.726 174.900 -0.013 0.000 1.126 12 G CA 0.742 45.836 45.100 -0.009 0.000 0.877 12 G HN 0.381 nan 8.290 nan 0.000 0.556 13 S N 0.295 115.986 115.700 -0.015 0.000 3.898 13 S HA -0.279 4.191 4.470 0.001 0.000 0.549 13 S C 1.254 175.839 174.600 -0.025 0.000 2.085 13 S CA 1.833 60.022 58.200 -0.019 0.000 4.077 13 S CB -1.651 61.542 63.200 -0.012 0.000 1.039 13 S HN 1.573 nan 8.310 nan 0.000 0.777 14 T N 1.769 116.310 114.554 -0.022 0.000 2.898 14 T HA 0.350 4.701 4.350 0.001 0.000 0.331 14 T C -0.001 174.682 174.700 -0.028 0.000 1.085 14 T CA 0.805 62.890 62.100 -0.026 0.000 1.129 14 T CB 0.354 69.212 68.868 -0.017 0.000 1.054 14 T HN 0.823 nan 8.240 nan 0.000 0.540 15 E N 0.484 120.663 120.200 -0.035 0.000 2.405 15 E HA 0.254 4.604 4.350 0.001 0.000 0.283 15 E C -0.934 175.641 176.600 -0.042 0.000 1.140 15 E CA -0.913 55.467 56.400 -0.033 0.000 0.904 15 E CB 1.162 30.842 29.700 -0.034 0.000 1.209 15 E HN 0.662 nan 8.360 nan 0.000 0.428 16 R N 1.454 121.934 120.500 -0.034 0.000 2.738 16 R HA 0.337 4.677 4.340 0.001 0.000 0.275 16 R C 0.436 176.705 176.300 -0.052 0.000 1.121 16 R CA -0.341 55.737 56.100 -0.037 0.000 1.207 16 R CB 0.293 30.579 30.300 -0.023 0.000 1.141 16 R HN 0.390 nan 8.270 nan 0.000 0.571 17 I N 1.467 122.003 120.570 -0.057 0.000 2.720 17 I HA 0.008 4.178 4.170 0.001 0.000 0.287 17 I C -0.255 175.835 176.117 -0.045 0.000 1.090 17 I CA 0.160 61.415 61.300 -0.076 0.000 1.384 17 I CB 0.882 38.835 38.000 -0.079 0.000 1.420 17 I HN 0.547 nan 8.210 nan 0.000 0.575 18 N N 6.626 125.298 118.700 -0.047 0.000 2.762 18 N HA 0.240 4.980 4.740 0.001 0.000 0.252 18 N C 0.483 176.006 175.510 0.022 0.000 1.269 18 N CA -0.244 52.803 53.050 -0.005 0.000 0.799 18 N CB 0.618 39.109 38.487 0.006 0.000 1.173 18 N HN 0.493 nan 8.380 nan 0.000 0.516 19 L N -0.224 121.022 121.223 0.039 0.000 2.478 19 L HA 0.065 4.405 4.340 0.001 0.000 0.223 19 L C 0.833 177.791 176.870 0.147 0.000 1.140 19 L CA 0.616 55.524 54.840 0.112 0.000 0.842 19 L CB 0.176 42.316 42.059 0.134 0.000 0.953 19 L HN 0.190 nan 8.230 nan 0.000 0.452 20 D N -0.149 120.306 120.400 0.093 0.000 2.301 20 D HA -0.064 4.576 4.640 0.001 0.000 0.206 20 D C 2.035 178.400 176.300 0.108 0.000 0.979 20 D CA 0.520 54.578 54.000 0.096 0.000 0.874 20 D CB 0.361 41.190 40.800 0.048 0.000 0.968 20 D HN 0.157 nan 8.370 nan 0.000 0.510 21 K N 0.693 121.141 120.400 0.080 0.000 1.985 21 K HA -0.069 4.251 4.320 0.001 0.000 0.210 21 K C 2.224 178.867 176.600 0.072 0.000 1.047 21 K CA 0.726 57.050 56.287 0.062 0.000 0.932 21 K CB -0.100 32.434 32.500 0.057 0.000 0.716 21 K HN 0.056 nan 8.250 nan 0.000 0.439 22 I N 0.073 120.710 120.570 0.112 0.000 2.113 22 I HA -0.376 3.794 4.170 0.001 0.000 0.242 22 I C 2.498 178.699 176.117 0.140 0.000 1.064 22 I CA 1.848 63.234 61.300 0.143 0.000 1.320 22 I CB -0.535 37.612 38.000 0.245 0.000 1.028 22 I HN 0.344 nan 8.210 nan 0.000 0.406 23 H N 1.079 120.202 119.070 0.088 0.000 2.319 23 H HA -0.145 4.411 4.556 0.001 0.000 0.299 23 H C 2.438 177.782 175.328 0.027 0.000 1.092 23 H CA 1.867 57.949 56.048 0.057 0.000 1.302 23 H CB 0.016 29.811 29.762 0.054 0.000 1.373 23 H HN 0.102 nan 8.280 nan 0.000 0.497 24 R N -0.418 120.137 120.500 0.091 0.000 2.097 24 R HA -0.155 4.186 4.340 0.001 0.000 0.236 24 R C 2.399 178.665 176.300 -0.056 0.000 1.135 24 R CA 2.006 58.112 56.100 0.010 0.000 0.934 24 R CB -0.601 29.709 30.300 0.018 0.000 0.846 24 R HN 0.250 nan 8.270 nan 0.000 0.431 25 V N 1.407 121.250 119.914 -0.118 0.000 2.324 25 V HA -0.268 3.852 4.120 0.001 0.000 0.250 25 V C 2.383 178.463 176.094 -0.024 0.000 1.060 25 V CA 1.792 63.956 62.300 -0.227 0.000 1.042 25 V CB -0.659 30.889 31.823 -0.458 0.000 0.650 25 V HN 0.281 nan 8.190 nan 0.000 0.450 26 L N 0.054 121.236 121.223 -0.069 0.000 2.005 26 L HA -0.188 4.153 4.340 0.001 0.000 0.207 26 L C 2.503 179.298 176.870 -0.125 0.000 1.072 26 L CA 2.158 56.949 54.840 -0.082 0.000 0.744 26 L CB -0.635 41.355 42.059 -0.114 0.000 0.895 26 L HN 0.383 nan 8.230 nan 0.000 0.433 27 D N -0.755 119.519 120.400 -0.209 0.000 2.126 27 D HA -0.312 4.329 4.640 0.001 0.000 0.190 27 D C 1.862 178.114 176.300 -0.080 0.000 1.001 27 D CA 1.752 55.636 54.000 -0.194 0.000 0.841 27 D CB -0.253 40.410 40.800 -0.228 0.000 0.949 27 D HN 0.358 nan 8.370 nan 0.000 0.446 28 W N 1.459 122.643 121.300 -0.194 0.000 2.315 28 W HA -0.266 4.395 4.660 0.001 0.000 0.323 28 W C 2.334 178.770 176.519 -0.138 0.000 1.233 28 W CA 2.974 60.218 57.345 -0.168 0.000 1.267 28 W CB -0.981 28.342 29.460 -0.228 0.000 1.160 28 W HN 0.050 nan 8.180 nan 0.000 0.474 29 A N 0.876 123.395 122.820 -0.502 0.000 1.948 29 A HA -0.129 4.191 4.320 0.001 0.000 0.220 29 A C 2.133 179.428 177.584 -0.482 0.000 1.177 29 A CA 2.961 54.534 52.037 -0.774 0.000 0.636 29 A CB -1.629 17.200 19.000 -0.284 0.000 0.815 29 A HN 0.649 nan 8.150 nan 0.000 0.449 30 A N -0.806 121.828 122.820 -0.311 0.000 2.015 30 A HA 0.046 4.366 4.320 0.001 0.000 0.219 30 A C 0.909 178.337 177.584 -0.260 0.000 1.163 30 A CA 0.557 52.447 52.037 -0.246 0.000 0.646 30 A CB -0.304 18.577 19.000 -0.197 0.000 0.806 30 A HN 0.365 nan 8.150 nan 0.000 0.448 31 E N -0.166 119.865 120.200 -0.281 0.000 3.025 31 E HA 0.182 4.533 4.350 0.001 0.000 0.248 31 E C 1.305 177.773 176.600 -0.220 0.000 0.938 31 E CA 1.028 57.291 56.400 -0.229 0.000 0.958 31 E CB -0.451 29.116 29.700 -0.222 0.000 0.898 31 E HN 0.769 nan 8.360 nan 0.000 0.537 32 G N 2.819 111.493 108.800 -0.210 0.000 2.241 32 G HA2 -0.285 3.675 3.960 0.001 0.000 0.244 32 G HA3 -0.285 3.675 3.960 0.001 0.000 0.244 32 G C 0.369 175.097 174.900 -0.286 0.000 0.998 32 G CA 0.286 45.265 45.100 -0.201 0.000 0.621 32 G HN 0.415 nan 8.290 nan 0.000 0.519 33 L N 1.144 122.182 121.223 -0.309 0.000 2.439 33 L HA 0.637 4.977 4.340 0.001 0.000 0.261 33 L C 0.516 177.077 176.870 -0.516 0.000 1.153 33 L CA -0.962 53.708 54.840 -0.283 0.000 0.808 33 L CB 0.752 42.696 42.059 -0.191 0.000 1.126 33 L HN 0.075 nan 8.230 nan 0.000 0.460 34 H N 1.468 120.485 119.070 -0.088 0.000 2.538 34 H HA 0.240 4.796 4.556 0.001 0.000 0.353 34 H C -0.239 175.022 175.328 -0.113 0.000 1.109 34 H CA -0.613 55.388 56.048 -0.078 0.000 1.192 34 H CB 1.721 31.459 29.762 -0.040 0.000 1.555 34 H HN 0.646 nan 8.280 nan 0.000 0.518 35 N N -0.108 118.580 118.700 -0.020 0.000 2.776 35 N HA -0.183 4.557 4.740 0.001 0.000 0.250 35 N C -0.611 174.771 175.510 -0.213 0.000 1.112 35 N CA 0.911 53.922 53.050 -0.065 0.000 0.733 35 N CB -0.865 37.608 38.487 -0.023 0.000 1.097 35 N HN 0.335 nan 8.380 nan 0.000 0.558 36 V N -3.055 116.676 119.914 -0.305 0.000 2.459 36 V HA 0.736 4.856 4.120 0.001 0.000 0.295 36 V C 0.407 176.406 176.094 -0.159 0.000 1.029 36 V CA -0.717 61.272 62.300 -0.519 0.000 0.874 36 V CB 2.130 33.483 31.823 -0.784 0.000 0.985 36 V HN 0.075 nan 8.190 nan 0.000 0.438 37 S N 4.303 120.036 115.700 0.055 0.000 2.415 37 S HA 0.471 4.942 4.470 0.001 0.000 0.313 37 S C 1.026 175.666 174.600 0.066 0.000 1.067 37 S CA -0.621 57.616 58.200 0.061 0.000 1.099 37 S CB 0.030 63.281 63.200 0.085 0.000 0.991 37 S HN 0.724 nan 8.310 nan 0.000 0.491 38 I N 4.050 124.623 120.570 0.006 0.000 2.151 38 I HA -0.236 3.935 4.170 0.001 0.000 0.243 38 I C 2.743 178.865 176.117 0.007 0.000 1.080 38 I CA 1.736 63.031 61.300 -0.007 0.000 1.339 38 I CB -0.498 37.459 38.000 -0.072 0.000 1.039 38 I HN 0.795 nan 8.210 nan 0.000 0.409 39 S N 0.316 116.027 115.700 0.019 0.000 2.359 39 S HA -0.317 4.153 4.470 0.001 0.000 0.223 39 S C 2.082 176.660 174.600 -0.038 0.000 1.039 39 S CA 1.277 59.473 58.200 -0.007 0.000 1.042 39 S CB -0.515 62.686 63.200 0.002 0.000 0.915 39 S HN 0.376 nan 8.310 nan 0.000 0.439 40 Q N 1.098 120.893 119.800 -0.009 0.000 2.096 40 Q HA -0.087 4.253 4.340 0.001 0.000 0.208 40 Q C 2.484 178.450 176.000 -0.056 0.000 0.993 40 Q CA 1.956 57.746 55.803 -0.023 0.000 0.862 40 Q CB -1.251 27.497 28.738 0.016 0.000 0.915 40 Q HN 0.589 nan 8.270 nan 0.000 0.416 41 V N 0.817 120.713 119.914 -0.030 0.000 2.287 41 V HA -0.262 3.859 4.120 0.001 0.000 0.248 41 V C 2.223 178.257 176.094 -0.100 0.000 1.053 41 V CA 2.153 64.422 62.300 -0.052 0.000 1.027 41 V CB -0.565 31.262 31.823 0.006 0.000 0.646 41 V HN 0.405 nan 8.190 nan 0.000 0.447 42 E N -0.063 120.049 120.200 -0.147 0.000 2.058 42 E HA -0.209 4.142 4.350 0.001 0.000 0.194 42 E C 2.270 178.632 176.600 -0.397 0.000 0.997 42 E CA 1.408 57.584 56.400 -0.374 0.000 0.801 42 E CB -0.247 29.185 29.700 -0.446 0.000 0.746 42 E HN 0.481 nan 8.360 nan 0.000 0.450 43 L N 0.404 121.487 121.223 -0.234 0.000 1.989 43 L HA -0.242 4.098 4.340 0.001 0.000 0.211 43 L C 2.596 179.382 176.870 -0.141 0.000 1.071 43 L CA 1.411 56.154 54.840 -0.162 0.000 0.749 43 L CB -0.309 41.690 42.059 -0.101 0.000 0.890 43 L HN 0.056 nan 8.230 nan 0.000 0.431 44 R N -0.490 119.932 120.500 -0.129 0.000 2.159 44 R HA -0.135 4.205 4.340 0.001 0.000 0.237 44 R C 2.375 178.590 176.300 -0.143 0.000 1.131 44 R CA 1.652 57.681 56.100 -0.118 0.000 0.982 44 R CB -0.160 30.075 30.300 -0.109 0.000 0.868 44 R HN 0.508 nan 8.270 nan 0.000 0.453 45 S N -1.602 113.985 115.700 -0.187 0.000 2.499 45 S HA 0.046 4.517 4.470 0.001 0.000 0.225 45 S C 1.575 175.696 174.600 -0.799 0.000 1.050 45 S CA -0.081 57.939 58.200 -0.300 0.000 0.928 45 S CB -0.229 62.903 63.200 -0.114 0.000 0.803 45 S HN 0.383 nan 8.310 nan 0.000 0.506 46 H N 0.771 119.349 119.070 -0.821 0.000 2.353 46 H HA 0.044 4.601 4.556 0.001 0.000 0.300 46 H C 1.963 176.966 175.328 -0.542 0.000 1.090 46 H CA 1.286 56.783 56.048 -0.918 0.000 1.327 46 H CB -0.140 29.447 29.762 -0.292 0.000 1.383 46 H HN 0.275 nan 8.280 nan 0.000 0.508 47 I N 1.831 122.291 120.570 -0.184 0.000 2.623 47 I HA -0.259 3.911 4.170 0.001 0.000 0.261 47 I C 1.438 177.517 176.117 -0.064 0.000 1.204 47 I CA 1.537 62.784 61.300 -0.089 0.000 1.444 47 I CB -0.200 37.761 38.000 -0.065 0.000 1.094 47 I HN 0.351 nan 8.210 nan 0.000 0.451 48 Q N -1.284 118.438 119.800 -0.129 0.000 2.198 48 Q HA 0.181 4.522 4.340 0.001 0.000 0.209 48 Q C -0.417 175.739 176.000 0.260 0.000 0.848 48 Q CA -0.297 55.539 55.803 0.054 0.000 0.974 48 Q CB 0.042 28.811 28.738 0.051 0.000 1.115 48 Q HN 0.151 nan 8.270 nan 0.000 0.494 49 F N 2.222 122.212 119.950 0.068 0.000 2.410 49 F HA 0.302 4.830 4.527 0.001 0.000 0.348 49 F C -0.015 175.805 175.800 0.033 0.000 1.106 49 F CA -2.001 55.972 58.000 -0.045 0.000 1.163 49 F CB 0.077 38.998 39.000 -0.130 0.000 1.129 49 F HN 0.035 nan 8.300 nan 0.000 0.516 50 Y N -0.712 119.682 120.300 0.158 0.000 2.524 50 Y HA 0.442 4.992 4.550 0.001 0.000 0.344 50 Y C 0.885 176.804 175.900 0.030 0.000 1.012 50 Y CA -1.538 56.607 58.100 0.075 0.000 1.068 50 Y CB 0.221 38.712 38.460 0.052 0.000 1.249 50 Y HN 0.461 nan 8.280 nan 0.000 0.468 51 D N 2.477 122.959 120.400 0.137 0.000 2.355 51 D HA -0.204 4.437 4.640 0.001 0.000 0.192 51 D C 1.448 177.738 176.300 -0.017 0.000 1.014 51 D CA 2.503 56.530 54.000 0.046 0.000 0.862 51 D CB -0.445 40.395 40.800 0.067 0.000 0.986 51 D HN 0.962 nan 8.370 nan 0.000 0.456 52 G N 0.034 108.862 108.800 0.046 0.000 4.084 52 G HA2 0.291 4.251 3.960 0.001 0.000 0.293 52 G HA3 0.291 4.251 3.960 0.001 0.000 0.293 52 G C 0.441 175.287 174.900 -0.090 0.000 1.303 52 G CA -0.469 44.619 45.100 -0.020 0.000 1.289 52 G HN 0.354 nan 8.290 nan 0.000 0.609 53 I N 1.116 121.470 120.570 -0.360 0.000 2.588 53 I HA 0.236 4.406 4.170 0.001 0.000 0.283 53 I C 0.689 176.626 176.117 -0.301 0.000 1.119 53 I CA -0.853 60.130 61.300 -0.529 0.000 1.419 53 I CB 0.721 38.050 38.000 -1.119 0.000 1.394 53 I HN 0.195 nan 8.210 nan 0.000 0.562 54 K N 4.302 124.593 120.400 -0.181 0.000 2.168 54 K HA 0.140 4.460 4.320 0.001 0.000 0.258 54 K C 0.892 177.354 176.600 -0.231 0.000 1.010 54 K CA 0.064 56.258 56.287 -0.155 0.000 0.929 54 K CB 0.722 33.175 32.500 -0.079 0.000 0.998 54 K HN 0.774 nan 8.250 nan 0.000 0.479 55 T N -1.732 112.678 114.554 -0.240 0.000 2.759 55 T HA -0.254 4.097 4.350 0.001 0.000 0.269 55 T C 2.148 176.552 174.700 -0.494 0.000 1.042 55 T CA 1.846 63.730 62.100 -0.361 0.000 1.140 55 T CB -0.633 68.064 68.868 -0.286 0.000 0.864 55 T HN 0.730 nan 8.240 nan 0.000 0.455 56 S N 1.854 117.393 115.700 -0.268 0.000 2.400 56 S HA -0.173 4.298 4.470 0.001 0.000 0.232 56 S C 1.632 176.147 174.600 -0.141 0.000 1.025 56 S CA 1.323 59.445 58.200 -0.131 0.000 0.993 56 S CB -0.615 62.617 63.200 0.055 0.000 0.808 56 S HN 0.514 nan 8.310 nan 0.000 0.478 57 D N 1.632 121.953 120.400 -0.133 0.000 2.194 57 D HA 0.109 4.749 4.640 0.001 0.000 0.204 57 D C 2.040 178.303 176.300 -0.062 0.000 0.964 57 D CA 0.631 54.593 54.000 -0.063 0.000 0.846 57 D CB -0.240 40.546 40.800 -0.023 0.000 0.962 57 D HN 0.398 nan 8.370 nan 0.000 0.490 58 I N 0.813 121.257 120.570 -0.210 0.000 2.264 58 I HA -0.250 3.921 4.170 0.001 0.000 0.248 58 I C 2.051 178.237 176.117 0.115 0.000 1.111 58 I CA 1.405 62.589 61.300 -0.192 0.000 1.382 58 I CB -1.077 36.671 38.000 -0.421 0.000 1.060 58 I HN 0.215 nan 8.210 nan 0.000 0.418 59 H N 0.580 119.629 119.070 -0.034 0.000 2.333 59 H HA -0.066 4.491 4.556 0.001 0.000 0.302 59 H C 2.186 177.452 175.328 -0.104 0.000 1.075 59 H CA 0.669 56.684 56.048 -0.056 0.000 1.348 59 H CB 0.233 29.891 29.762 -0.173 0.000 1.393 59 H HN 0.270 nan 8.280 nan 0.000 0.509 60 E N 0.511 120.696 120.200 -0.025 0.000 2.085 60 E HA -0.129 4.221 4.350 0.001 0.000 0.194 60 E C 2.213 178.848 176.600 0.058 0.000 0.994 60 E CA 1.299 57.690 56.400 -0.015 0.000 0.801 60 E CB -0.421 29.278 29.700 -0.001 0.000 0.743 60 E HN 0.438 nan 8.360 nan 0.000 0.453 61 T N 2.479 117.103 114.554 0.116 0.000 2.737 61 T HA -0.097 4.253 4.350 0.001 0.000 0.265 61 T C 2.186 176.963 174.700 0.129 0.000 1.038 61 T CA 1.410 63.600 62.100 0.150 0.000 1.144 61 T CB -0.338 68.702 68.868 0.287 0.000 0.866 61 T HN 0.373 nan 8.240 nan 0.000 0.434 62 I N -0.359 120.325 120.570 0.190 0.000 2.286 62 I HA -0.084 4.086 4.170 0.001 0.000 0.248 62 I C 2.188 178.333 176.117 0.048 0.000 1.115 62 I CA 1.531 62.913 61.300 0.137 0.000 1.392 62 I CB -0.652 37.468 38.000 0.200 0.000 1.065 62 I HN 0.153 nan 8.210 nan 0.000 0.418 63 I N 1.387 121.983 120.570 0.042 0.000 2.127 63 I HA -0.265 3.906 4.170 0.001 0.000 0.241 63 I C 2.813 178.854 176.117 -0.126 0.000 1.075 63 I CA 1.642 62.926 61.300 -0.026 0.000 1.334 63 I CB -0.492 37.531 38.000 0.038 0.000 1.040 63 I HN 0.198 nan 8.210 nan 0.000 0.405 64 K N 0.661 121.027 120.400 -0.057 0.000 2.057 64 K HA -0.180 4.140 4.320 0.001 0.000 0.207 64 K C 2.263 178.791 176.600 -0.121 0.000 1.049 64 K CA 1.479 57.718 56.287 -0.079 0.000 0.931 64 K CB -0.253 32.241 32.500 -0.011 0.000 0.714 64 K HN 0.331 nan 8.250 nan 0.000 0.440 65 A N 1.476 124.243 122.820 -0.089 0.000 1.892 65 A HA -0.230 4.090 4.320 0.001 0.000 0.218 65 A C 2.352 179.823 177.584 -0.188 0.000 1.188 65 A CA 2.301 54.268 52.037 -0.117 0.000 0.631 65 A CB -0.774 18.180 19.000 -0.076 0.000 0.822 65 A HN 0.401 nan 8.150 nan 0.000 0.447 66 A N -0.335 122.389 122.820 -0.160 0.000 1.858 66 A HA 0.145 4.466 4.320 0.001 0.000 0.216 66 A C 2.573 179.985 177.584 -0.286 0.000 1.190 66 A CA 2.406 54.343 52.037 -0.167 0.000 0.617 66 A CB -1.226 17.736 19.000 -0.063 0.000 0.827 66 A HN 1.207 nan 8.150 nan 0.000 0.443 67 A N 0.105 122.702 122.820 -0.372 0.000 1.908 67 A HA -0.221 4.099 4.320 0.001 0.000 0.218 67 A C 1.636 179.074 177.584 -0.243 0.000 1.181 67 A CA 1.964 53.746 52.037 -0.425 0.000 0.627 67 A CB -0.709 17.878 19.000 -0.687 0.000 0.818 67 A HN 0.473 nan 8.150 nan 0.000 0.445 68 D N -0.273 119.996 120.400 -0.219 0.000 2.350 68 D HA -0.037 4.603 4.640 0.001 0.000 0.216 68 D C 1.383 177.528 176.300 -0.258 0.000 0.968 68 D CA 0.668 54.560 54.000 -0.181 0.000 0.894 68 D CB -0.147 40.569 40.800 -0.140 0.000 0.909 68 D HN 0.502 nan 8.370 nan 0.000 0.520 69 L N 0.247 121.202 121.223 -0.446 0.000 2.607 69 L HA 0.205 4.545 4.340 0.001 0.000 0.228 69 L C 0.834 177.460 176.870 -0.406 0.000 1.123 69 L CA -0.259 54.199 54.840 -0.636 0.000 0.890 69 L CB 0.231 41.442 42.059 -1.413 0.000 1.103 69 L HN -0.135 nan 8.230 nan 0.000 0.468 70 I N 0.953 121.406 120.570 -0.195 0.000 2.752 70 I HA -0.093 4.078 4.170 0.001 0.000 0.289 70 I C 0.647 176.756 176.117 -0.014 0.000 1.197 70 I CA 0.764 62.062 61.300 -0.002 0.000 1.432 70 I CB 0.421 38.414 38.000 -0.013 0.000 1.359 70 I HN 0.272 nan 8.210 nan 0.000 0.571 71 S N 5.361 121.075 115.700 0.023 0.000 2.615 71 S HA 0.444 4.914 4.470 0.001 0.000 0.269 71 S C 0.537 175.086 174.600 -0.086 0.000 1.161 71 S CA -1.165 57.016 58.200 -0.032 0.000 0.817 71 S CB 1.582 64.774 63.200 -0.014 0.000 1.131 71 S HN 0.615 nan 8.310 nan 0.000 0.467 72 R N 1.141 121.531 120.500 -0.184 0.000 2.096 72 R HA -0.135 4.205 4.340 0.001 0.000 0.240 72 R C 0.794 176.986 176.300 -0.180 0.000 1.139 72 R CA 2.332 58.173 56.100 -0.431 0.000 0.952 72 R CB -1.132 28.823 30.300 -0.575 0.000 0.854 72 R HN 0.813 nan 8.270 nan 0.000 0.436 73 D N 0.440 120.816 120.400 -0.041 0.000 2.317 73 D HA 0.051 4.692 4.640 0.001 0.000 0.211 73 D C 0.306 176.637 176.300 0.052 0.000 0.966 73 D CA 0.899 54.921 54.000 0.037 0.000 0.876 73 D CB 0.304 41.118 40.800 0.023 0.000 0.927 73 D HN 0.306 nan 8.370 nan 0.000 0.519 74 A N 0.968 123.828 122.820 0.066 0.000 3.216 74 A HA 0.330 4.651 4.320 0.001 0.000 0.321 74 A C -2.014 175.636 177.584 0.110 0.000 1.042 74 A CA -0.964 51.131 52.037 0.098 0.000 0.838 74 A CB 0.809 19.942 19.000 0.222 0.000 1.136 74 A HN -0.097 nan 8.150 nan 0.000 0.483 75 P HA -0.005 nan 4.420 nan 0.000 0.230 75 P C 0.268 177.604 177.300 0.060 0.000 1.168 75 P CA 0.835 63.971 63.100 0.061 0.000 0.793 75 P CB 0.375 32.126 31.700 0.086 0.000 0.851 76 D N -1.181 119.250 120.400 0.051 0.000 2.378 76 D HA -0.113 4.527 4.640 0.001 0.000 0.222 76 D C 1.532 177.798 176.300 -0.058 0.000 0.980 76 D CA 0.705 54.749 54.000 0.073 0.000 0.907 76 D CB -0.710 40.099 40.800 0.014 0.000 0.899 76 D HN 0.163 nan 8.370 nan 0.000 0.527 77 Y N 1.783 122.073 120.300 -0.017 0.000 2.224 77 Y HA -0.220 4.330 4.550 0.001 0.000 0.289 77 Y C 2.427 178.259 175.900 -0.114 0.000 1.146 77 Y CA 1.113 59.173 58.100 -0.066 0.000 1.182 77 Y CB -0.473 37.937 38.460 -0.082 0.000 0.983 77 Y HN 0.182 nan 8.280 nan 0.000 0.524 78 Q N -1.320 118.457 119.800 -0.038 0.000 2.152 78 Q HA -0.263 4.077 4.340 0.001 0.000 0.206 78 Q C 1.589 177.424 176.000 -0.275 0.000 0.985 78 Q CA 2.135 57.822 55.803 -0.193 0.000 0.863 78 Q CB -1.017 27.504 28.738 -0.362 0.000 0.904 78 Q HN 0.519 nan 8.270 nan 0.000 0.422 79 Y N 0.798 121.141 120.300 0.071 0.000 2.286 79 Y HA -0.089 4.461 4.550 0.001 0.000 0.293 79 Y C 2.186 178.092 175.900 0.011 0.000 1.124 79 Y CA 0.598 58.727 58.100 0.049 0.000 1.178 79 Y CB -0.438 38.026 38.460 0.006 0.000 1.010 79 Y HN 0.094 nan 8.280 nan 0.000 0.536 80 L N 0.418 121.689 121.223 0.079 0.000 2.012 80 L HA -0.166 4.174 4.340 0.001 0.000 0.210 80 L C 2.359 179.246 176.870 0.029 0.000 1.073 80 L CA 2.065 56.910 54.840 0.009 0.000 0.748 80 L CB -1.037 41.018 42.059 -0.007 0.000 0.891 80 L HN 0.134 nan 8.230 nan 0.000 0.431 81 A N -0.411 122.414 122.820 0.008 0.000 1.858 81 A HA -0.102 4.219 4.320 0.001 0.000 0.216 81 A C 2.472 180.122 177.584 0.111 0.000 1.190 81 A CA 2.000 53.976 52.037 -0.102 0.000 0.617 81 A CB -1.332 17.390 19.000 -0.463 0.000 0.827 81 A HN 0.601 nan 8.150 nan 0.000 0.443 82 A N -0.287 122.685 122.820 0.253 0.000 1.883 82 A HA -0.207 4.113 4.320 0.001 0.000 0.217 82 A C 2.246 180.026 177.584 0.325 0.000 1.186 82 A CA 1.790 54.049 52.037 0.371 0.000 0.624 82 A CB -0.533 18.673 19.000 0.342 0.000 0.822 82 A HN 0.544 nan 8.150 nan 0.000 0.444 83 R N -0.680 119.967 120.500 0.247 0.000 2.091 83 R HA -0.104 4.236 4.340 0.001 0.000 0.238 83 R C 2.118 178.643 176.300 0.375 0.000 1.136 83 R CA 1.625 57.862 56.100 0.229 0.000 0.959 83 R CB -0.560 29.678 30.300 -0.103 0.000 0.856 83 R HN 0.549 nan 8.270 nan 0.000 0.437 84 L N -0.143 121.242 121.223 0.271 0.000 2.012 84 L HA -0.199 4.142 4.340 0.001 0.000 0.210 84 L C 2.686 179.789 176.870 0.387 0.000 1.073 84 L CA 1.441 56.468 54.840 0.310 0.000 0.748 84 L CB -0.624 41.528 42.059 0.155 0.000 0.891 84 L HN 0.268 nan 8.230 nan 0.000 0.431 85 A N 0.085 123.111 122.820 0.343 0.000 1.908 85 A HA -0.195 4.126 4.320 0.001 0.000 0.218 85 A C 2.242 180.048 177.584 0.370 0.000 1.181 85 A CA 1.500 53.758 52.037 0.369 0.000 0.627 85 A CB -0.595 18.640 19.000 0.391 0.000 0.818 85 A HN 0.312 nan 8.150 nan 0.000 0.445 86 I N -1.608 119.196 120.570 0.390 0.000 2.179 86 I HA -0.226 3.944 4.170 0.001 0.000 0.242 86 I C 2.385 178.747 176.117 0.409 0.000 1.088 86 I CA 1.672 63.196 61.300 0.373 0.000 1.357 86 I CB -1.145 37.121 38.000 0.445 0.000 1.051 86 I HN 0.485 nan 8.210 nan 0.000 0.409 87 F N 1.819 122.020 119.950 0.418 0.000 2.043 87 F HA -0.348 4.179 4.527 0.001 0.000 0.297 87 F C 2.841 178.773 175.800 0.219 0.000 1.121 87 F CA 2.504 60.730 58.000 0.377 0.000 1.199 87 F CB -0.711 38.461 39.000 0.286 0.000 0.968 87 F HN 0.168 nan 8.300 nan 0.000 0.478 88 H N 0.247 119.440 119.070 0.205 0.000 2.265 88 H HA -0.226 4.331 4.556 0.001 0.000 0.295 88 H C 2.169 177.501 175.328 0.007 0.000 1.084 88 H CA 2.694 58.781 56.048 0.064 0.000 1.261 88 H CB -0.797 29.071 29.762 0.177 0.000 1.360 88 H HN 0.401 nan 8.280 nan 0.000 0.487 89 L N -0.230 120.953 121.223 -0.068 0.000 2.129 89 L HA -0.219 4.122 4.340 0.001 0.000 0.212 89 L C 2.781 179.504 176.870 -0.246 0.000 1.087 89 L CA 1.115 55.846 54.840 -0.181 0.000 0.757 89 L CB -0.284 41.752 42.059 -0.038 0.000 0.896 89 L HN 0.306 nan 8.230 nan 0.000 0.434 90 R N 0.199 120.591 120.500 -0.180 0.000 2.075 90 R HA -0.152 4.188 4.340 0.001 0.000 0.230 90 R C 2.190 178.335 176.300 -0.259 0.000 1.140 90 R CA 1.348 57.314 56.100 -0.223 0.000 0.928 90 R CB -0.706 29.501 30.300 -0.155 0.000 0.834 90 R HN 0.336 nan 8.270 nan 0.000 0.429 91 K N 0.915 121.153 120.400 -0.271 0.000 2.034 91 K HA -0.237 4.083 4.320 0.001 0.000 0.214 91 K C 2.158 178.642 176.600 -0.193 0.000 1.051 91 K CA 1.918 58.081 56.287 -0.206 0.000 0.931 91 K CB -0.201 32.175 32.500 -0.207 0.000 0.715 91 K HN -0.000 nan 8.250 nan 0.000 0.446 92 K N 0.104 120.330 120.400 -0.290 0.000 2.089 92 K HA -0.217 4.104 4.320 0.001 0.000 0.210 92 K C 1.777 178.229 176.600 -0.246 0.000 1.048 92 K CA 1.792 57.908 56.287 -0.285 0.000 0.926 92 K CB -0.097 32.157 32.500 -0.410 0.000 0.714 92 K HN 0.246 nan 8.250 nan 0.000 0.448 93 A N -1.381 121.228 122.820 -0.352 0.000 2.044 93 A HA 0.055 4.375 4.320 0.001 0.000 0.213 93 A C 1.032 178.458 177.584 -0.264 0.000 1.169 93 A CA 0.618 52.416 52.037 -0.399 0.000 0.724 93 A CB -0.036 18.536 19.000 -0.713 0.000 0.840 93 A HN 0.369 nan 8.150 nan 0.000 0.463 94 Y N -1.948 118.329 120.300 -0.039 0.000 2.432 94 Y HA 0.395 4.946 4.550 0.001 0.000 0.252 94 Y C 1.822 177.698 175.900 -0.039 0.000 1.097 94 Y CA -0.424 57.660 58.100 -0.028 0.000 1.250 94 Y CB 0.041 38.462 38.460 -0.064 0.000 1.245 94 Y HN 0.382 nan 8.280 nan 0.000 0.522 95 G N 0.610 109.448 108.800 0.063 0.000 2.212 95 G HA2 -0.261 3.700 3.960 0.001 0.000 0.266 95 G HA3 -0.261 3.700 3.960 0.001 0.000 0.266 95 G C 0.129 175.041 174.900 0.020 0.000 0.978 95 G CA 0.707 45.825 45.100 0.028 0.000 0.632 95 G HN 0.459 nan 8.290 nan 0.000 0.537 96 Q N -2.105 117.715 119.800 0.034 0.000 2.687 96 Q HA 0.743 5.083 4.340 0.001 0.000 0.305 96 Q C 0.557 176.565 176.000 0.014 0.000 1.006 96 Q CA -0.786 55.028 55.803 0.019 0.000 0.763 96 Q CB 0.496 29.251 28.738 0.027 0.000 1.506 96 Q HN 0.367 nan 8.270 nan 0.000 0.459 97 F N 0.525 120.381 119.950 -0.158 0.000 2.317 97 F HA 0.197 4.724 4.527 0.001 0.000 0.293 97 F C 0.478 176.219 175.800 -0.098 0.000 1.085 97 F CA 0.510 58.395 58.000 -0.193 0.000 1.390 97 F CB 0.635 39.507 39.000 -0.213 0.000 1.077 97 F HN 0.418 nan 8.300 nan 0.000 0.517 98 E N 3.625 123.753 120.200 -0.120 0.000 2.265 98 E HA 0.124 4.474 4.350 0.001 0.000 0.272 98 E C -2.312 174.059 176.600 -0.381 0.000 1.067 98 E CA -2.207 54.043 56.400 -0.250 0.000 0.900 98 E CB 0.205 29.861 29.700 -0.072 0.000 1.017 98 E HN 0.121 nan 8.360 nan 0.000 0.431 99 P HA 0.101 nan 4.420 nan 0.000 0.268 99 P C -2.364 174.623 177.300 -0.522 0.000 1.204 99 P CA -1.132 61.388 63.100 -0.966 0.000 0.768 99 P CB -0.265 30.652 31.700 -1.305 0.000 0.842 100 P HA -0.007 nan 4.420 nan 0.000 0.269 100 P C -0.227 177.064 177.300 -0.016 0.000 1.211 100 P CA 0.063 63.053 63.100 -0.184 0.000 0.781 100 P CB 0.219 31.839 31.700 -0.133 0.000 0.877 101 A N 1.870 124.695 122.820 0.008 0.000 2.483 101 A HA 0.028 4.349 4.320 0.001 0.000 0.238 101 A C 1.432 179.029 177.584 0.022 0.000 1.070 101 A CA -0.368 51.707 52.037 0.063 0.000 0.770 101 A CB -0.482 18.552 19.000 0.057 0.000 1.008 101 A HN 0.655 nan 8.150 nan 0.000 0.497 102 L N 2.488 123.740 121.223 0.047 0.000 2.021 102 L HA -0.238 4.103 4.340 0.001 0.000 0.215 102 L C 2.014 178.777 176.870 -0.178 0.000 1.074 102 L CA 2.823 57.585 54.840 -0.129 0.000 0.760 102 L CB -1.294 40.801 42.059 0.059 0.000 0.889 102 L HN 0.872 nan 8.230 nan 0.000 0.433 103 Y N 0.605 120.793 120.300 -0.185 0.000 2.128 103 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 103 Y C 2.359 178.091 175.900 -0.281 0.000 1.154 103 Y CA 2.224 60.130 58.100 -0.323 0.000 1.149 103 Y CB -0.458 37.925 38.460 -0.127 0.000 0.976 103 Y HN 0.384 nan 8.280 nan 0.000 0.505 104 D N -1.254 119.041 120.400 -0.175 0.000 2.123 104 D HA -0.243 4.398 4.640 0.001 0.000 0.196 104 D C 1.948 178.098 176.300 -0.250 0.000 0.992 104 D CA 1.959 55.836 54.000 -0.204 0.000 0.833 104 D CB -0.600 40.169 40.800 -0.051 0.000 0.954 104 D HN 0.545 nan 8.370 nan 0.000 0.455 105 H N 1.241 120.118 119.070 -0.321 0.000 2.293 105 H HA -0.096 4.460 4.556 0.001 0.000 0.300 105 H C 2.071 177.216 175.328 -0.305 0.000 1.082 105 H CA 1.734 57.590 56.048 -0.320 0.000 1.308 105 H CB -0.392 29.043 29.762 -0.544 0.000 1.375 105 H HN -0.125 nan 8.280 nan 0.000 0.495 106 V N -0.025 119.583 119.914 -0.511 0.000 2.332 106 V HA -0.272 3.848 4.120 0.001 0.000 0.248 106 V C 2.703 178.527 176.094 -0.450 0.000 1.055 106 V CA 1.639 63.676 62.300 -0.438 0.000 1.038 106 V CB -0.745 30.693 31.823 -0.642 0.000 0.651 106 V HN 0.357 nan 8.190 nan 0.000 0.450 107 V N -0.008 119.552 119.914 -0.590 0.000 2.261 107 V HA -0.325 3.795 4.120 0.001 0.000 0.246 107 V C 2.446 178.345 176.094 -0.325 0.000 1.047 107 V CA 2.526 64.536 62.300 -0.483 0.000 1.015 107 V CB -0.704 30.776 31.823 -0.572 0.000 0.642 107 V HN 0.589 nan 8.190 nan 0.000 0.446 108 K N -0.576 119.633 120.400 -0.319 0.000 2.063 108 K HA -0.209 4.111 4.320 0.001 0.000 0.208 108 K C 2.176 178.580 176.600 -0.326 0.000 1.048 108 K CA 1.692 57.822 56.287 -0.262 0.000 0.928 108 K CB -0.138 32.238 32.500 -0.208 0.000 0.713 108 K HN 0.255 nan 8.250 nan 0.000 0.442 109 M N 0.551 119.878 119.600 -0.456 0.000 2.229 109 M HA -0.102 4.379 4.480 0.001 0.000 0.264 109 M C 2.151 178.240 176.300 -0.352 0.000 1.063 109 M CA 0.967 55.920 55.300 -0.580 0.000 1.114 109 M CB -0.377 31.547 32.600 -1.128 0.000 1.387 109 M HN 0.036 nan 8.290 nan 0.000 0.420 110 V N 0.441 120.227 119.914 -0.213 0.000 2.379 110 V HA -0.209 3.911 4.120 0.001 0.000 0.245 110 V C 2.115 178.137 176.094 -0.120 0.000 1.044 110 V CA 1.505 63.743 62.300 -0.103 0.000 1.036 110 V CB -0.902 30.889 31.823 -0.053 0.000 0.664 110 V HN 0.473 nan 8.190 nan 0.000 0.453 111 E N 0.240 120.351 120.200 -0.149 0.000 2.118 111 E HA -0.213 4.138 4.350 0.001 0.000 0.195 111 E C 2.042 178.560 176.600 -0.137 0.000 0.992 111 E CA 1.389 57.715 56.400 -0.124 0.000 0.804 111 E CB -0.271 29.355 29.700 -0.123 0.000 0.741 111 E HN 0.537 nan 8.360 nan 0.000 0.458 112 M N -0.409 119.072 119.600 -0.197 0.000 2.659 112 M HA 0.080 4.561 4.480 0.001 0.000 0.243 112 M C 1.138 177.319 176.300 -0.198 0.000 1.111 112 M CA 0.710 55.874 55.300 -0.226 0.000 1.070 112 M CB 0.404 32.787 32.600 -0.361 0.000 1.525 112 M HN 0.301 nan 8.290 nan 0.000 0.517 113 G N 0.897 109.606 108.800 -0.152 0.000 2.153 113 G HA2 -0.245 3.716 3.960 0.001 0.000 0.252 113 G HA3 -0.245 3.716 3.960 0.001 0.000 0.252 113 G C 0.891 175.734 174.900 -0.097 0.000 0.994 113 G CA 0.282 45.324 45.100 -0.097 0.000 0.698 113 G HN 0.374 nan 8.290 nan 0.000 0.521 114 K N -1.260 119.034 120.400 -0.177 0.000 2.323 114 K HA 0.203 4.524 4.320 0.001 0.000 0.197 114 K C 0.145 176.748 176.600 0.005 0.000 1.043 114 K CA 0.507 56.694 56.287 -0.166 0.000 0.997 114 K CB 0.513 32.771 32.500 -0.404 0.000 0.807 114 K HN 0.426 nan 8.250 nan 0.000 0.497 115 Y N 1.087 121.345 120.300 -0.070 0.000 2.446 115 Y HA 0.201 4.752 4.550 0.001 0.000 0.345 115 Y C 0.220 176.116 175.900 -0.007 0.000 0.984 115 Y CA -2.536 55.547 58.100 -0.028 0.000 1.058 115 Y CB 0.930 39.347 38.460 -0.072 0.000 1.220 115 Y HN -0.060 nan 8.280 nan 0.000 0.455 116 D N 1.379 121.893 120.400 0.190 0.000 2.488 116 D HA -0.075 4.565 4.640 0.001 0.000 0.238 116 D C 0.736 177.120 176.300 0.140 0.000 1.138 116 D CA 0.385 54.450 54.000 0.109 0.000 0.873 116 D CB 0.686 41.537 40.800 0.086 0.000 1.183 116 D HN 0.807 nan 8.370 nan 0.000 0.458 117 N N 2.486 121.264 118.700 0.130 0.000 2.381 117 N HA -0.165 4.576 4.740 0.001 0.000 0.182 117 N C 1.365 177.037 175.510 0.271 0.000 1.025 117 N CA 0.880 54.032 53.050 0.169 0.000 0.888 117 N CB -0.308 38.266 38.487 0.146 0.000 0.965 117 N HN 0.544 nan 8.380 nan 0.000 0.438 118 H N 0.090 119.223 119.070 0.106 0.000 2.518 118 H HA -0.003 4.553 4.556 0.001 0.000 0.289 118 H C 1.764 177.204 175.328 0.187 0.000 1.051 118 H CA 0.538 56.661 56.048 0.124 0.000 1.280 118 H CB 0.087 29.917 29.762 0.113 0.000 1.380 118 H HN 0.253 nan 8.280 nan 0.000 0.566 119 L N 0.399 121.828 121.223 0.345 0.000 2.042 119 L HA -0.222 4.118 4.340 0.001 0.000 0.210 119 L C 2.234 179.433 176.870 0.548 0.000 1.076 119 L CA 1.039 56.133 54.840 0.424 0.000 0.749 119 L CB -0.170 42.083 42.059 0.323 0.000 0.893 119 L HN 0.303 nan 8.230 nan 0.000 0.432 120 L N -1.149 120.299 121.223 0.375 0.000 2.240 120 L HA -0.127 4.213 4.340 0.001 0.000 0.211 120 L C 2.373 179.416 176.870 0.289 0.000 1.106 120 L CA 0.739 55.807 54.840 0.380 0.000 0.793 120 L CB -0.292 41.875 42.059 0.180 0.000 0.927 120 L HN 0.262 nan 8.230 nan 0.000 0.446 121 E N 0.221 120.532 120.200 0.185 0.000 2.028 121 E HA -0.193 4.157 4.350 0.001 0.000 0.191 121 E C 1.547 178.173 176.600 0.043 0.000 0.988 121 E CA 1.314 57.758 56.400 0.074 0.000 0.799 121 E CB 0.010 29.687 29.700 -0.038 0.000 0.755 121 E HN 0.423 nan 8.360 nan 0.000 0.447 122 D N -0.701 119.721 120.400 0.036 0.000 2.264 122 D HA -0.067 4.573 4.640 0.001 0.000 0.208 122 D C -0.169 175.916 176.300 -0.359 0.000 0.966 122 D CA 1.107 55.017 54.000 -0.151 0.000 0.864 122 D CB 0.058 40.754 40.800 -0.174 0.000 0.933 122 D HN 0.135 nan 8.370 nan 0.000 0.499 123 Y N -0.424 119.876 120.300 0.000 0.000 2.462 123 Y HA 0.278 4.828 4.550 0.001 0.000 0.346 123 Y C 0.697 176.590 175.900 -0.012 0.000 0.976 123 Y CA -1.207 56.784 58.100 -0.180 0.000 1.044 123 Y CB 1.732 39.746 38.460 -0.743 0.000 1.230 123 Y HN -0.315 nan 8.280 nan 0.000 0.455 124 T N -1.957 112.662 114.554 0.109 0.000 2.899 124 T HA 0.168 4.519 4.350 0.001 0.000 0.284 124 T C 1.100 175.917 174.700 0.196 0.000 1.004 124 T CA -0.466 61.718 62.100 0.140 0.000 1.043 124 T CB 1.438 70.332 68.868 0.042 0.000 1.013 124 T HN 0.890 nan 8.240 nan 0.000 0.518 125 E N 0.343 120.589 120.200 0.077 0.000 2.097 125 E HA -0.282 4.068 4.350 0.001 0.000 0.196 125 E C 1.722 178.252 176.600 -0.116 0.000 1.000 125 E CA 1.625 57.868 56.400 -0.262 0.000 0.804 125 E CB -0.121 29.095 29.700 -0.807 0.000 0.740 125 E HN 0.773 nan 8.360 nan 0.000 0.454 126 E N 0.740 120.892 120.200 -0.081 0.000 2.153 126 E HA -0.171 4.180 4.350 0.001 0.000 0.194 126 E C 1.715 178.288 176.600 -0.045 0.000 0.988 126 E CA 1.294 57.657 56.400 -0.062 0.000 0.811 126 E CB -0.002 29.667 29.700 -0.051 0.000 0.746 126 E HN 0.395 nan 8.360 nan 0.000 0.466 127 E N -1.255 118.927 120.200 -0.030 0.000 2.072 127 E HA -0.130 4.221 4.350 0.001 0.000 0.190 127 E C 1.771 178.271 176.600 -0.167 0.000 0.982 127 E CA 0.799 57.154 56.400 -0.076 0.000 0.803 127 E CB -0.162 29.532 29.700 -0.010 0.000 0.755 127 E HN 0.278 nan 8.360 nan 0.000 0.453 128 F N 1.469 121.411 119.950 -0.013 0.000 2.134 128 F HA -0.133 4.394 4.527 0.001 0.000 0.299 128 F C 2.284 178.030 175.800 -0.091 0.000 1.097 128 F CA 1.100 59.078 58.000 -0.037 0.000 1.264 128 F CB -0.219 38.865 39.000 0.140 0.000 1.001 128 F HN -0.144 nan 8.300 nan 0.000 0.479 129 K N -0.135 120.313 120.400 0.080 0.000 2.089 129 K HA -0.288 4.032 4.320 0.001 0.000 0.210 129 K C 2.171 178.701 176.600 -0.118 0.000 1.048 129 K CA 1.812 58.089 56.287 -0.017 0.000 0.926 129 K CB -0.318 32.154 32.500 -0.047 0.000 0.714 129 K HN 0.381 nan 8.250 nan 0.000 0.448 130 Q N 0.051 119.732 119.800 -0.198 0.000 2.083 130 Q HA -0.063 4.278 4.340 0.001 0.000 0.198 130 Q C 2.161 177.673 176.000 -0.814 0.000 0.969 130 Q CA 1.071 56.650 55.803 -0.374 0.000 0.838 130 Q CB 0.120 28.685 28.738 -0.288 0.000 0.900 130 Q HN 0.329 nan 8.270 nan 0.000 0.436 131 M N 0.421 119.576 119.600 -0.742 0.000 2.108 131 M HA -0.207 4.273 4.480 0.001 0.000 0.261 131 M C 1.708 177.674 176.300 -0.557 0.000 1.066 131 M CA 1.279 56.050 55.300 -0.880 0.000 1.107 131 M CB -0.539 31.855 32.600 -0.344 0.000 1.356 131 M HN 0.136 nan 8.290 nan 0.000 0.406 132 D N 0.609 120.852 120.400 -0.261 0.000 2.203 132 D HA -0.158 4.482 4.640 0.001 0.000 0.199 132 D C 1.962 178.178 176.300 -0.140 0.000 0.997 132 D CA 2.040 55.978 54.000 -0.103 0.000 0.863 132 D CB -0.090 40.711 40.800 0.001 0.000 0.928 132 D HN 0.474 nan 8.370 nan 0.000 0.458 133 T N -2.540 111.876 114.554 -0.230 0.000 3.035 133 T HA -0.082 4.268 4.350 0.001 0.000 0.268 133 T C 1.764 176.455 174.700 -0.015 0.000 1.109 133 T CA 0.437 62.462 62.100 -0.126 0.000 1.119 133 T CB -0.431 68.359 68.868 -0.131 0.000 0.900 133 T HN -0.045 nan 8.240 nan 0.000 0.503 134 F N 1.408 121.287 119.950 -0.118 0.000 2.317 134 F HA 0.473 5.000 4.527 0.001 0.000 0.293 134 F C 1.375 177.036 175.800 -0.231 0.000 1.085 134 F CA -1.826 56.082 58.000 -0.152 0.000 1.390 134 F CB -0.741 38.122 39.000 -0.228 0.000 1.077 134 F HN 0.161 nan 8.300 nan 0.000 0.517 135 I N 1.799 122.257 120.570 -0.187 0.000 2.815 135 I HA -0.088 4.082 4.170 0.001 0.000 0.291 135 I C -0.086 175.962 176.117 -0.114 0.000 1.209 135 I CA 0.644 61.747 61.300 -0.327 0.000 1.431 135 I CB 0.181 37.975 38.000 -0.342 0.000 1.351 135 I HN 0.006 nan 8.210 nan 0.000 0.585 136 D N 5.395 125.778 120.400 -0.028 0.000 2.389 136 D HA 0.165 4.806 4.640 0.001 0.000 0.256 136 D C 0.746 177.019 176.300 -0.045 0.000 1.239 136 D CA -0.395 53.603 54.000 -0.003 0.000 0.925 136 D CB 0.601 41.441 40.800 0.067 0.000 1.145 136 D HN 0.395 nan 8.370 nan 0.000 0.542 137 H N 1.821 120.913 119.070 0.038 0.000 2.521 137 H HA -0.046 4.510 4.556 0.001 0.000 0.286 137 H C 0.406 175.772 175.328 0.063 0.000 1.034 137 H CA 0.713 56.762 56.048 0.001 0.000 1.278 137 H CB 0.511 30.204 29.762 -0.115 0.000 1.386 137 H HN 0.465 nan 8.280 nan 0.000 0.567 138 D N 0.640 121.153 120.400 0.189 0.000 2.310 138 D HA -0.088 4.553 4.640 0.001 0.000 0.212 138 D C 2.041 178.409 176.300 0.113 0.000 0.965 138 D CA 0.355 54.467 54.000 0.187 0.000 0.879 138 D CB -0.024 40.873 40.800 0.163 0.000 0.921 138 D HN 0.413 nan 8.370 nan 0.000 0.510 139 R N 0.691 121.218 120.500 0.046 0.000 2.193 139 R HA -0.092 4.248 4.340 0.001 0.000 0.229 139 R C 1.101 177.370 176.300 -0.052 0.000 1.110 139 R CA 0.629 56.688 56.100 -0.067 0.000 0.988 139 R CB -0.246 29.951 30.300 -0.173 0.000 0.871 139 R HN 0.159 nan 8.270 nan 0.000 0.458 140 D N 1.140 121.621 120.400 0.134 0.000 2.190 140 D HA -0.153 4.488 4.640 0.001 0.000 0.200 140 D C 1.414 177.910 176.300 0.327 0.000 0.992 140 D CA 1.217 55.405 54.000 0.313 0.000 0.854 140 D CB -0.047 40.972 40.800 0.366 0.000 0.936 140 D HN 0.051 nan 8.370 nan 0.000 0.462 141 M N -0.153 119.589 119.600 0.237 0.000 2.700 141 M HA -0.045 4.435 4.480 0.001 0.000 0.249 141 M C 1.568 177.940 176.300 0.120 0.000 1.082 141 M CA 0.760 56.178 55.300 0.196 0.000 1.077 141 M CB -0.254 32.425 32.600 0.132 0.000 1.477 141 M HN 0.031 nan 8.290 nan 0.000 0.529 142 T N -3.559 111.026 114.554 0.051 0.000 3.044 142 T HA 0.187 4.538 4.350 0.001 0.000 0.250 142 T C 0.409 175.252 174.700 0.238 0.000 1.081 142 T CA -0.337 61.787 62.100 0.040 0.000 1.040 142 T CB -0.281 68.581 68.868 -0.009 0.000 0.962 142 T HN -0.005 nan 8.240 nan 0.000 0.506 143 F N 4.028 124.205 119.950 0.378 0.000 2.518 143 F HA 0.432 4.959 4.527 0.001 0.000 0.359 143 F C 1.344 177.336 175.800 0.319 0.000 1.118 143 F CA -0.982 57.202 58.000 0.306 0.000 1.287 143 F CB 0.550 39.690 39.000 0.233 0.000 1.132 143 F HN 0.176 nan 8.300 nan 0.000 0.587 144 S N 2.747 118.662 115.700 0.358 0.000 2.632 144 S HA 0.169 4.639 4.470 0.001 0.000 0.271 144 S C 0.826 175.465 174.600 0.065 0.000 1.260 144 S CA -0.685 57.518 58.200 0.005 0.000 1.010 144 S CB 0.608 63.701 63.200 -0.178 0.000 0.965 144 S HN 0.637 nan 8.310 nan 0.000 0.534 145 Y N 2.299 122.541 120.300 -0.098 0.000 2.069 145 Y HA -0.263 4.287 4.550 0.001 0.000 0.278 145 Y C 2.553 178.427 175.900 -0.043 0.000 1.175 145 Y CA 2.234 60.312 58.100 -0.036 0.000 1.134 145 Y CB -1.203 37.230 38.460 -0.045 0.000 0.965 145 Y HN 0.871 nan 8.280 nan 0.000 0.498 146 A N 0.293 123.000 122.820 -0.188 0.000 1.908 146 A HA -0.167 4.154 4.320 0.001 0.000 0.218 146 A C 2.503 179.940 177.584 -0.244 0.000 1.181 146 A CA 2.321 54.208 52.037 -0.250 0.000 0.627 146 A CB -1.593 17.331 19.000 -0.126 0.000 0.818 146 A HN 0.660 nan 8.150 nan 0.000 0.445 147 A N -0.480 122.242 122.820 -0.163 0.000 1.865 147 A HA -0.086 4.235 4.320 0.001 0.000 0.217 147 A C 2.236 179.628 177.584 -0.320 0.000 1.191 147 A CA 2.092 54.018 52.037 -0.184 0.000 0.623 147 A CB -1.164 17.837 19.000 0.002 0.000 0.826 147 A HN 0.515 nan 8.150 nan 0.000 0.444 148 V N -0.031 119.726 119.914 -0.261 0.000 2.392 148 V HA -0.256 3.864 4.120 0.001 0.000 0.249 148 V C 2.537 178.455 176.094 -0.293 0.000 1.059 148 V CA 2.383 64.511 62.300 -0.287 0.000 1.051 148 V CB -0.737 31.037 31.823 -0.081 0.000 0.658 148 V HN 0.438 nan 8.190 nan 0.000 0.455 149 K N 0.104 120.275 120.400 -0.382 0.000 2.044 149 K HA -0.182 4.138 4.320 0.001 0.000 0.210 149 K C 2.298 178.755 176.600 -0.238 0.000 1.049 149 K CA 1.565 57.648 56.287 -0.340 0.000 0.927 149 K CB -0.506 31.725 32.500 -0.447 0.000 0.713 149 K HN 0.454 nan 8.250 nan 0.000 0.443 150 Q N 0.033 119.678 119.800 -0.259 0.000 2.016 150 Q HA -0.077 4.263 4.340 0.001 0.000 0.200 150 Q C 2.300 178.134 176.000 -0.278 0.000 0.978 150 Q CA 1.258 56.915 55.803 -0.243 0.000 0.833 150 Q CB -0.368 28.191 28.738 -0.298 0.000 0.895 150 Q HN 0.324 nan 8.270 nan 0.000 0.427 151 L N 0.812 121.801 121.223 -0.391 0.000 1.997 151 L HA -0.253 4.088 4.340 0.001 0.000 0.216 151 L C 2.607 179.401 176.870 -0.126 0.000 1.074 151 L CA 1.786 56.433 54.840 -0.322 0.000 0.763 151 L CB -0.650 41.165 42.059 -0.407 0.000 0.890 151 L HN 0.345 nan 8.230 nan 0.000 0.434 152 E N 0.216 120.332 120.200 -0.141 0.000 2.077 152 E HA -0.192 4.158 4.350 0.001 0.000 0.193 152 E C 2.158 178.730 176.600 -0.045 0.000 0.989 152 E CA 1.282 57.635 56.400 -0.077 0.000 0.800 152 E CB -0.146 29.511 29.700 -0.071 0.000 0.746 152 E HN 0.483 nan 8.360 nan 0.000 0.452 153 G N 1.154 109.919 108.800 -0.059 0.000 2.394 153 G HA2 -0.238 3.723 3.960 0.001 0.000 0.215 153 G HA3 -0.238 3.723 3.960 0.001 0.000 0.215 153 G C 1.288 176.200 174.900 0.020 0.000 1.165 153 G CA 1.158 46.242 45.100 -0.026 0.000 0.784 153 G HN 0.375 nan 8.290 nan 0.000 0.535 154 K N -2.567 117.868 120.400 0.058 0.000 2.788 154 K HA 0.401 4.721 4.320 0.001 0.000 0.190 154 K C -0.118 176.670 176.600 0.314 0.000 1.143 154 K CA -0.428 55.948 56.287 0.148 0.000 1.099 154 K CB 0.116 32.700 32.500 0.141 0.000 0.767 154 K HN 0.155 nan 8.250 nan 0.000 0.466 155 Y N 0.836 121.134 120.300 -0.003 0.000 2.846 155 Y HA 0.378 4.928 4.550 0.001 0.000 0.258 155 Y C 0.452 176.370 175.900 0.031 0.000 1.077 155 Y CA -0.571 57.536 58.100 0.012 0.000 1.270 155 Y CB 0.542 38.987 38.460 -0.025 0.000 1.476 155 Y HN -0.070 nan 8.280 nan 0.000 0.460 156 L N 1.274 122.607 121.223 0.183 0.000 2.490 156 L HA 0.103 4.443 4.340 0.001 0.000 0.274 156 L C 0.053 177.002 176.870 0.131 0.000 1.201 156 L CA -0.315 54.604 54.840 0.133 0.000 0.869 156 L CB 0.275 42.372 42.059 0.063 0.000 1.123 156 L HN -0.235 nan 8.230 nan 0.000 0.484 157 V N 3.893 123.920 119.914 0.188 0.000 2.493 157 V HA 0.031 4.151 4.120 0.001 0.000 0.292 157 V C 0.370 176.563 176.094 0.165 0.000 1.016 157 V CA 0.277 62.702 62.300 0.208 0.000 1.097 157 V CB 0.488 32.478 31.823 0.278 0.000 0.947 157 V HN 0.939 nan 8.190 nan 0.000 0.479 158 Q N 4.052 123.913 119.800 0.103 0.000 2.626 158 Q HA 0.460 4.800 4.340 0.001 0.000 0.300 158 Q C -0.814 175.163 176.000 -0.038 0.000 0.988 158 Q CA -1.006 54.725 55.803 -0.120 0.000 0.761 158 Q CB 1.647 30.303 28.738 -0.136 0.000 1.494 158 Q HN 0.512 nan 8.270 nan 0.000 0.439 159 N N 0.372 118.955 118.700 -0.196 0.000 2.426 159 N HA 0.191 4.931 4.740 0.001 0.000 0.257 159 N C -0.178 175.315 175.510 -0.028 0.000 1.002 159 N CA -0.031 53.018 53.050 -0.002 0.000 0.942 159 N CB 0.993 39.497 38.487 0.029 0.000 1.112 159 N HN 0.618 nan 8.380 nan 0.000 0.499 160 R N 2.158 122.663 120.500 0.008 0.000 2.275 160 R HA 0.040 4.380 4.340 0.001 0.000 0.199 160 R C 1.448 177.748 176.300 -0.000 0.000 0.989 160 R CA 0.493 56.593 56.100 -0.000 0.000 1.016 160 R CB 0.389 30.697 30.300 0.013 0.000 0.918 160 R HN 0.449 nan 8.270 nan 0.000 0.473 161 V N -0.511 119.406 119.914 0.005 0.000 2.278 161 V HA -0.175 3.945 4.120 0.001 0.000 0.238 161 V C 2.435 178.527 176.094 -0.003 0.000 1.039 161 V CA 2.096 64.399 62.300 0.005 0.000 1.017 161 V CB -1.131 30.699 31.823 0.012 0.000 0.657 161 V HN 0.382 nan 8.190 nan 0.000 0.462 162 T N -1.374 113.176 114.554 -0.005 0.000 2.833 162 T HA 0.047 4.398 4.350 0.001 0.000 0.269 162 T C 1.739 176.417 174.700 -0.038 0.000 1.054 162 T CA 2.060 64.150 62.100 -0.015 0.000 1.135 162 T CB -0.283 68.578 68.868 -0.011 0.000 0.869 162 T HN 1.413 nan 8.240 nan 0.000 0.466 163 G N 0.936 109.700 108.800 -0.059 0.000 2.217 163 G HA2 -0.239 3.721 3.960 0.001 0.000 0.246 163 G HA3 -0.239 3.721 3.960 0.001 0.000 0.246 163 G C -0.123 174.691 174.900 -0.144 0.000 0.990 163 G CA 0.072 45.127 45.100 -0.075 0.000 0.627 163 G HN 0.682 nan 8.290 nan 0.000 0.522 164 E N 0.227 120.302 120.200 -0.208 0.000 2.694 164 E HA 0.221 4.572 4.350 0.001 0.000 0.250 164 E C -0.012 176.236 176.600 -0.587 0.000 0.963 164 E CA 0.235 56.418 56.400 -0.362 0.000 0.949 164 E CB 0.552 30.012 29.700 -0.401 0.000 0.911 164 E HN 0.373 nan 8.360 nan 0.000 0.500 165 I N 3.810 124.108 120.570 -0.454 0.000 2.331 165 I HA 0.007 4.177 4.170 0.001 0.000 0.292 165 I C -0.002 175.875 176.117 -0.400 0.000 0.998 165 I CA -0.033 61.028 61.300 -0.399 0.000 1.267 165 I CB 0.621 38.484 38.000 -0.229 0.000 1.386 165 I HN 0.519 nan 8.210 nan 0.000 0.476 166 Y N 4.300 124.568 120.300 -0.053 0.000 2.462 166 Y HA 0.227 4.778 4.550 0.001 0.000 0.261 166 Y C 0.771 176.713 175.900 0.070 0.000 1.146 166 Y CA -0.355 57.727 58.100 -0.029 0.000 1.283 166 Y CB -0.085 38.347 38.460 -0.046 0.000 1.090 166 Y HN 0.549 nan 8.280 nan 0.000 0.526 167 E N -0.965 119.334 120.200 0.165 0.000 2.449 167 E HA 0.518 4.869 4.350 0.001 0.000 0.278 167 E C -1.141 175.530 176.600 0.118 0.000 0.992 167 E CA -0.975 55.607 56.400 0.302 0.000 0.807 167 E CB 1.875 31.893 29.700 0.530 0.000 1.350 167 E HN -0.107 nan 8.360 nan 0.000 0.462 168 S N 0.058 115.880 115.700 0.202 0.000 2.593 168 S HA 0.593 5.064 4.470 0.001 0.000 0.297 168 S C 0.959 175.619 174.600 0.099 0.000 1.112 168 S CA 0.023 58.263 58.200 0.068 0.000 1.043 168 S CB 1.422 64.640 63.200 0.030 0.000 1.054 168 S HN 0.807 nan 8.310 nan 0.000 0.516 169 A N 2.412 125.288 122.820 0.094 0.000 1.948 169 A HA -0.133 4.187 4.320 0.001 0.000 0.220 169 A C 2.131 179.763 177.584 0.079 0.000 1.177 169 A CA 1.684 53.756 52.037 0.058 0.000 0.636 169 A CB -0.917 18.207 19.000 0.206 0.000 0.815 169 A HN 0.816 nan 8.150 nan 0.000 0.449 170 Q N -1.075 118.836 119.800 0.185 0.000 2.124 170 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 170 Q C 1.765 177.935 176.000 0.284 0.000 0.977 170 Q CA 1.158 57.114 55.803 0.255 0.000 0.850 170 Q CB -0.626 28.117 28.738 0.009 0.000 0.901 170 Q HN 0.712 nan 8.270 nan 0.000 0.429 171 F N 0.503 120.601 119.950 0.246 0.000 2.234 171 F HA -0.085 4.442 4.527 0.001 0.000 0.299 171 F C 2.209 178.142 175.800 0.221 0.000 1.087 171 F CA 0.195 58.331 58.000 0.227 0.000 1.340 171 F CB -1.084 38.058 39.000 0.236 0.000 1.031 171 F HN 0.069 nan 8.300 nan 0.000 0.500 172 L N -1.048 120.375 121.223 0.333 0.000 1.976 172 L HA -0.287 4.053 4.340 0.001 0.000 0.209 172 L C 2.470 179.481 176.870 0.235 0.000 1.071 172 L CA 1.709 56.664 54.840 0.191 0.000 0.746 172 L CB -0.692 41.385 42.059 0.029 0.000 0.890 172 L HN -0.004 nan 8.230 nan 0.000 0.432 173 Y N -0.310 120.193 120.300 0.338 0.000 2.097 173 Y HA -0.295 4.255 4.550 0.001 0.000 0.282 173 Y C 2.421 178.584 175.900 0.438 0.000 1.152 173 Y CA 1.596 59.909 58.100 0.355 0.000 1.136 173 Y CB -0.857 37.784 38.460 0.302 0.000 0.975 173 Y HN 0.228 nan 8.280 nan 0.000 0.498 174 I N -0.112 120.822 120.570 0.606 0.000 2.163 174 I HA -0.283 3.887 4.170 0.001 0.000 0.243 174 I C 2.057 178.313 176.117 0.232 0.000 1.085 174 I CA 1.548 63.054 61.300 0.344 0.000 1.347 174 I CB -0.630 37.442 38.000 0.119 0.000 1.044 174 I HN 0.136 nan 8.210 nan 0.000 0.408 175 L N -1.373 119.968 121.223 0.196 0.000 2.156 175 L HA -0.117 4.223 4.340 0.001 0.000 0.208 175 L C 2.430 179.335 176.870 0.059 0.000 1.095 175 L CA 0.442 55.318 54.840 0.061 0.000 0.770 175 L CB -0.701 41.313 42.059 -0.074 0.000 0.914 175 L HN 0.054 nan 8.230 nan 0.000 0.439 176 V N 0.480 120.475 119.914 0.135 0.000 2.287 176 V HA -0.320 3.801 4.120 0.001 0.000 0.248 176 V C 2.852 178.992 176.094 0.078 0.000 1.053 176 V CA 1.864 64.218 62.300 0.090 0.000 1.027 176 V CB -1.016 30.927 31.823 0.200 0.000 0.646 176 V HN 0.479 nan 8.190 nan 0.000 0.447 177 A N 0.385 123.352 122.820 0.243 0.000 1.849 177 A HA -0.254 4.067 4.320 0.001 0.000 0.217 177 A C 2.498 180.162 177.584 0.133 0.000 1.202 177 A CA 2.880 55.055 52.037 0.230 0.000 0.629 177 A CB -1.259 17.965 19.000 0.373 0.000 0.834 177 A HN 0.633 nan 8.150 nan 0.000 0.447 178 A N -1.018 121.846 122.820 0.073 0.000 1.903 178 A HA -0.271 4.049 4.320 0.001 0.000 0.219 178 A C 2.385 180.048 177.584 0.133 0.000 1.191 178 A CA 2.123 54.174 52.037 0.022 0.000 0.638 178 A CB -1.531 17.302 19.000 -0.278 0.000 0.823 178 A HN 0.702 nan 8.150 nan 0.000 0.451 179 C N -0.685 118.618 119.300 0.005 0.000 2.436 179 C HA -0.074 4.386 4.460 0.001 0.000 0.277 179 C C 2.622 177.413 174.990 -0.332 0.000 1.241 179 C CA 0.985 59.935 59.018 -0.113 0.000 1.721 179 C CB -1.536 26.051 27.740 -0.256 0.000 2.043 179 C HN 0.622 nan 8.230 nan 0.000 0.472 180 L N -0.783 120.181 121.223 -0.432 0.000 2.127 180 L HA -0.133 4.207 4.340 0.001 0.000 0.211 180 L C 1.547 178.018 176.870 -0.664 0.000 1.089 180 L CA 1.812 56.270 54.840 -0.636 0.000 0.757 180 L CB -0.609 40.996 42.059 -0.757 0.000 0.899 180 L HN 0.337 nan 8.230 nan 0.000 0.434 181 F N -0.795 118.989 119.950 -0.276 0.000 2.684 181 F HA 0.065 4.592 4.527 0.001 0.000 0.298 181 F C 2.241 178.051 175.800 0.016 0.000 1.120 181 F CA 0.124 57.964 58.000 -0.267 0.000 1.332 181 F CB -0.124 38.611 39.000 -0.442 0.000 0.986 181 F HN 0.004 nan 8.300 nan 0.000 0.524 182 S N 0.008 115.806 115.700 0.163 0.000 2.419 182 S HA -0.199 4.271 4.470 0.001 0.000 0.233 182 S C 1.536 176.177 174.600 0.069 0.000 1.016 182 S CA 1.514 59.793 58.200 0.131 0.000 0.974 182 S CB -0.290 62.999 63.200 0.148 0.000 0.786 182 S HN 0.302 nan 8.310 nan 0.000 0.492 183 N N 0.544 119.329 118.700 0.141 0.000 2.313 183 N HA 0.268 5.008 4.740 0.001 0.000 0.207 183 N C -1.015 174.579 175.510 0.141 0.000 1.141 183 N CA -0.024 53.088 53.050 0.102 0.000 0.830 183 N CB -0.234 38.290 38.487 0.062 0.000 1.008 183 N HN 0.456 nan 8.380 nan 0.000 0.481 184 Y N 1.432 121.751 120.300 0.033 0.000 2.301 184 Y HA 0.259 4.809 4.550 0.001 0.000 0.328 184 Y C -1.628 174.300 175.900 0.046 0.000 1.242 184 Y CA -2.369 55.774 58.100 0.072 0.000 1.323 184 Y CB 0.239 38.809 38.460 0.184 0.000 1.266 184 Y HN 0.027 nan 8.280 nan 0.000 0.527 185 P HA -0.011 nan 4.420 nan 0.000 0.264 185 P C 0.223 177.582 177.300 0.098 0.000 1.183 185 P CA 0.054 63.189 63.100 0.058 0.000 0.763 185 P CB 0.726 32.444 31.700 0.031 0.000 0.807 186 R N 2.884 123.415 120.500 0.050 0.000 2.133 186 R HA -0.206 4.135 4.340 0.001 0.000 0.247 186 R C 1.812 178.149 176.300 0.062 0.000 1.151 186 R CA 1.382 57.511 56.100 0.048 0.000 0.971 186 R CB -0.945 29.363 30.300 0.015 0.000 0.866 186 R HN 0.600 nan 8.270 nan 0.000 0.447 187 E N 0.292 120.523 120.200 0.052 0.000 2.108 187 E HA -0.214 4.137 4.350 0.001 0.000 0.203 187 E C 1.313 177.947 176.600 0.056 0.000 1.022 187 E CA 2.536 58.962 56.400 0.044 0.000 0.823 187 E CB 0.156 29.877 29.700 0.035 0.000 0.744 187 E HN 0.580 nan 8.360 nan 0.000 0.456 188 T N -3.126 111.498 114.554 0.117 0.000 2.959 188 T HA 0.169 4.520 4.350 0.001 0.000 0.254 188 T C 1.581 176.396 174.700 0.193 0.000 1.003 188 T CA 0.061 62.234 62.100 0.122 0.000 0.950 188 T CB 0.115 69.112 68.868 0.215 0.000 1.090 188 T HN 0.019 nan 8.240 nan 0.000 0.503 189 R N 1.317 121.983 120.500 0.277 0.000 2.222 189 R HA -0.119 4.221 4.340 0.001 0.000 0.235 189 R C 2.170 178.565 176.300 0.159 0.000 1.112 189 R CA 2.253 58.517 56.100 0.273 0.000 0.897 189 R CB -0.907 29.538 30.300 0.241 0.000 0.882 189 R HN 0.378 nan 8.270 nan 0.000 0.429 190 L N 0.436 121.750 121.223 0.152 0.000 2.131 190 L HA -0.227 4.113 4.340 0.001 0.000 0.210 190 L C 2.872 179.749 176.870 0.011 0.000 1.092 190 L CA 1.688 56.629 54.840 0.169 0.000 0.759 190 L CB -0.684 41.523 42.059 0.247 0.000 0.903 190 L HN 0.572 nan 8.230 nan 0.000 0.435 191 Q N -0.228 119.513 119.800 -0.097 0.000 2.050 191 Q HA -0.247 4.093 4.340 0.001 0.000 0.202 191 Q C 2.286 178.052 176.000 -0.390 0.000 0.980 191 Q CA 1.771 57.411 55.803 -0.273 0.000 0.840 191 Q CB -0.274 28.293 28.738 -0.286 0.000 0.898 191 Q HN 0.364 nan 8.270 nan 0.000 0.424 192 Y N 0.633 120.727 120.300 -0.342 0.000 2.081 192 Y HA -0.273 4.277 4.550 0.001 0.000 0.280 192 Y C 2.554 178.036 175.900 -0.697 0.000 1.163 192 Y CA 1.406 59.109 58.100 -0.661 0.000 1.135 192 Y CB -0.851 36.965 38.460 -1.073 0.000 0.970 192 Y HN -0.033 nan 8.280 nan 0.000 0.498 193 V N 0.365 120.096 119.914 -0.306 0.000 2.252 193 V HA -0.386 3.734 4.120 0.001 0.000 0.249 193 V C 2.464 178.489 176.094 -0.114 0.000 1.056 193 V CA 2.408 64.631 62.300 -0.129 0.000 1.022 193 V CB -0.678 31.186 31.823 0.070 0.000 0.641 193 V HN 0.371 nan 8.190 nan 0.000 0.445 194 K N -0.225 119.930 120.400 -0.409 0.000 2.009 194 K HA -0.225 4.095 4.320 0.001 0.000 0.210 194 K C 2.421 178.850 176.600 -0.285 0.000 1.049 194 K CA 1.743 57.611 56.287 -0.699 0.000 0.929 194 K CB -0.198 31.354 32.500 -1.580 0.000 0.714 194 K HN 0.357 nan 8.250 nan 0.000 0.440 195 R N -0.486 119.850 120.500 -0.273 0.000 2.096 195 R HA -0.180 4.161 4.340 0.001 0.000 0.240 195 R C 2.375 178.631 176.300 -0.074 0.000 1.139 195 R CA 1.807 57.802 56.100 -0.175 0.000 0.952 195 R CB -0.551 29.637 30.300 -0.186 0.000 0.854 195 R HN 0.265 nan 8.270 nan 0.000 0.436 196 F N 0.607 120.450 119.950 -0.179 0.000 2.113 196 F HA -0.247 4.280 4.527 0.001 0.000 0.297 196 F C 2.380 178.131 175.800 -0.082 0.000 1.103 196 F CA 1.338 59.279 58.000 -0.097 0.000 1.248 196 F CB -0.670 38.308 39.000 -0.036 0.000 0.999 196 F HN -0.021 nan 8.300 nan 0.000 0.475 197 Y N 1.529 121.880 120.300 0.085 0.000 2.040 197 Y HA -0.362 4.188 4.550 0.001 0.000 0.275 197 Y C 2.286 178.076 175.900 -0.184 0.000 1.171 197 Y CA 2.316 60.419 58.100 0.005 0.000 1.123 197 Y CB -1.050 37.441 38.460 0.052 0.000 0.963 197 Y HN 0.107 nan 8.280 nan 0.000 0.493 198 D N 0.375 120.573 120.400 -0.337 0.000 2.103 198 D HA -0.264 4.376 4.640 0.001 0.000 0.190 198 D C 2.388 178.376 176.300 -0.521 0.000 0.997 198 D CA 1.898 55.623 54.000 -0.457 0.000 0.833 198 D CB -0.963 39.704 40.800 -0.222 0.000 0.961 198 D HN 0.524 nan 8.370 nan 0.000 0.447 199 A N 0.803 123.373 122.820 -0.416 0.000 1.884 199 A HA -0.219 4.101 4.320 0.001 0.000 0.219 199 A C 2.560 179.813 177.584 -0.552 0.000 1.197 199 A CA 3.078 54.862 52.037 -0.421 0.000 0.637 199 A CB -1.046 17.732 19.000 -0.372 0.000 0.827 199 A HN 0.260 nan 8.150 nan 0.000 0.450 200 V N -1.539 117.930 119.914 -0.742 0.000 2.453 200 V HA -0.136 3.984 4.120 0.001 0.000 0.247 200 V C 2.367 177.793 176.094 -1.113 0.000 1.048 200 V CA 2.280 64.109 62.300 -0.785 0.000 1.049 200 V CB -1.307 30.096 31.823 -0.700 0.000 0.672 200 V HN 0.650 nan 8.190 nan 0.000 0.457 201 S N 1.935 116.868 115.700 -1.279 0.000 2.423 201 S HA -0.145 4.325 4.470 0.001 0.000 0.231 201 S C 1.825 175.713 174.600 -1.186 0.000 1.014 201 S CA 1.415 58.843 58.200 -1.286 0.000 0.965 201 S CB -1.136 61.452 63.200 -1.019 0.000 0.785 201 S HN 0.893 nan 8.310 nan 0.000 0.495 202 T N -1.371 112.623 114.554 -0.933 0.000 3.278 202 T HA 0.305 4.655 4.350 0.001 0.000 0.251 202 T C 0.154 174.467 174.700 -0.645 0.000 1.039 202 T CA -0.600 61.000 62.100 -0.834 0.000 0.935 202 T CB -1.297 67.289 68.868 -0.469 0.000 1.034 202 T HN 0.276 nan 8.240 nan 0.000 0.575 203 F N -0.655 119.139 119.950 -0.261 0.000 3.084 203 F HA -0.210 4.317 4.527 0.001 0.000 0.286 203 F C 1.184 176.920 175.800 -0.106 0.000 0.855 203 F CA 0.233 58.145 58.000 -0.147 0.000 1.091 203 F CB -2.528 36.435 39.000 -0.060 0.000 1.177 203 F HN 0.287 nan 8.300 nan 0.000 0.542 204 K N 0.243 120.607 120.400 -0.061 0.000 2.116 204 K HA 0.276 4.596 4.320 0.001 0.000 0.203 204 K C 0.716 177.336 176.600 0.032 0.000 1.052 204 K CA 1.130 57.408 56.287 -0.015 0.000 0.952 204 K CB 0.225 32.679 32.500 -0.076 0.000 0.729 204 K HN 0.442 nan 8.250 nan 0.000 0.446 205 I N -0.059 120.474 120.570 -0.062 0.000 2.465 205 I HA 0.166 4.336 4.170 0.001 0.000 0.291 205 I C -0.515 175.569 176.117 -0.055 0.000 1.014 205 I CA -0.514 60.743 61.300 -0.072 0.000 1.093 205 I CB 2.197 40.082 38.000 -0.191 0.000 1.267 205 I HN -0.144 nan 8.210 nan 0.000 0.431 206 S N 5.901 121.598 115.700 -0.006 0.000 2.608 206 S HA 0.753 5.223 4.470 0.001 0.000 0.291 206 S C -0.652 173.986 174.600 0.062 0.000 1.146 206 S CA -0.507 57.735 58.200 0.071 0.000 1.043 206 S CB 1.028 64.283 63.200 0.090 0.000 1.037 206 S HN 0.354 nan 8.310 nan 0.000 0.520 207 L N 3.216 124.520 121.223 0.135 0.000 2.401 207 L HA 0.503 4.843 4.340 0.001 0.000 0.266 207 L C -2.313 174.627 176.870 0.116 0.000 0.991 207 L CA -2.390 52.513 54.840 0.105 0.000 0.818 207 L CB 2.386 44.519 42.059 0.123 0.000 1.321 207 L HN 0.462 nan 8.230 nan 0.000 0.413 208 P HA 0.041 nan 4.420 nan 0.000 0.269 208 P C 0.428 177.749 177.300 0.035 0.000 1.211 208 P CA -0.095 63.047 63.100 0.071 0.000 0.781 208 P CB 0.576 32.305 31.700 0.049 0.000 0.877 209 T N 1.975 116.572 114.554 0.072 0.000 2.708 209 T HA -0.054 4.297 4.350 0.001 0.000 0.266 209 T C -0.880 173.797 174.700 -0.038 0.000 1.037 209 T CA 2.086 64.199 62.100 0.021 0.000 1.146 209 T CB -1.599 67.366 68.868 0.162 0.000 0.865 209 T HN 0.534 nan 8.240 nan 0.000 0.435 210 P HA -0.033 nan 4.420 nan 0.000 0.215 210 P C 1.527 178.923 177.300 0.161 0.000 1.157 210 P CA 1.119 64.293 63.100 0.123 0.000 0.868 210 P CB -0.228 31.567 31.700 0.158 0.000 0.788 211 I N -1.123 119.477 120.570 0.051 0.000 2.113 211 I HA -0.232 3.938 4.170 0.001 0.000 0.238 211 I C 2.547 178.578 176.117 -0.143 0.000 1.070 211 I CA 1.548 62.784 61.300 -0.107 0.000 1.332 211 I CB -0.662 37.259 38.000 -0.132 0.000 1.044 211 I HN -0.137 nan 8.210 nan 0.000 0.402 212 M N 0.336 119.795 119.600 -0.236 0.000 2.296 212 M HA -0.111 4.370 4.480 0.001 0.000 0.265 212 M C 2.468 178.566 176.300 -0.337 0.000 1.064 212 M CA 1.631 56.706 55.300 -0.376 0.000 1.109 212 M CB -1.147 30.926 32.600 -0.878 0.000 1.396 212 M HN 0.384 nan 8.290 nan 0.000 0.430 213 S N -0.864 114.684 115.700 -0.254 0.000 2.458 213 S HA 0.108 4.578 4.470 0.001 0.000 0.223 213 S C 1.905 176.555 174.600 0.082 0.000 1.019 213 S CA 0.704 58.867 58.200 -0.062 0.000 0.937 213 S CB -0.411 62.787 63.200 -0.004 0.000 0.788 213 S HN 0.484 nan 8.310 nan 0.000 0.511 214 G N 1.051 109.947 108.800 0.159 0.000 2.720 214 G HA2 0.267 4.227 3.960 0.001 0.000 0.204 214 G HA3 0.267 4.227 3.960 0.001 0.000 0.204 214 G C 0.223 175.338 174.900 0.359 0.000 1.113 214 G CA -0.065 45.237 45.100 0.336 0.000 0.805 214 G HN 0.367 nan 8.290 nan 0.000 0.536 215 V N 2.711 122.692 119.914 0.112 0.000 2.420 215 V HA 0.245 4.365 4.120 0.001 0.000 0.274 215 V C 1.175 177.295 176.094 0.044 0.000 1.003 215 V CA 1.597 63.877 62.300 -0.033 0.000 1.092 215 V CB -0.301 31.303 31.823 -0.365 0.000 1.002 215 V HN 0.826 nan 8.190 nan 0.000 0.473 216 R N 2.449 123.025 120.500 0.126 0.000 1.716 216 R HA -0.101 4.239 4.340 0.001 0.000 0.340 216 R C 0.349 176.710 176.300 0.102 0.000 0.188 216 R CA 0.607 56.711 56.100 0.008 0.000 1.445 216 R CB -1.376 28.827 30.300 -0.161 0.000 1.765 216 R HN 0.684 nan 8.270 nan 0.000 0.182 217 T N -1.515 113.168 114.554 0.215 0.000 2.912 217 T HA 0.595 4.946 4.350 0.001 0.000 0.280 217 T C -1.996 172.805 174.700 0.168 0.000 0.989 217 T CA -1.540 60.700 62.100 0.232 0.000 0.995 217 T CB 1.955 70.954 68.868 0.219 0.000 1.077 217 T HN -0.106 nan 8.240 nan 0.000 0.531 218 P HA 0.087 nan 4.420 nan 0.000 0.230 218 P C 0.827 178.113 177.300 -0.024 0.000 1.158 218 P CA 0.496 63.607 63.100 0.018 0.000 0.769 218 P CB -0.202 31.496 31.700 -0.003 0.000 0.807 219 T N -0.294 114.255 114.554 -0.009 0.000 2.689 219 T HA 0.218 4.568 4.350 0.001 0.000 0.308 219 T C 0.898 175.471 174.700 -0.211 0.000 1.021 219 T CA -0.112 61.912 62.100 -0.127 0.000 0.973 219 T CB 0.262 69.038 68.868 -0.152 0.000 1.113 219 T HN -0.163 nan 8.240 nan 0.000 0.522 220 R N 0.809 121.039 120.500 -0.449 0.000 2.508 220 R HA 0.177 4.517 4.340 0.001 0.000 0.420 220 R C -0.903 174.887 176.300 -0.850 0.000 0.866 220 R CA -0.286 55.487 56.100 -0.546 0.000 1.103 220 R CB 0.544 30.662 30.300 -0.303 0.000 1.657 220 R HN 0.526 nan 8.270 nan 0.000 0.562 221 Q N 0.299 119.467 119.800 -1.054 0.000 2.400 221 Q HA 0.372 4.712 4.340 0.001 0.000 0.255 221 Q C -0.210 175.290 176.000 -0.833 0.000 1.008 221 Q CA -0.148 55.225 55.803 -0.718 0.000 0.841 221 Q CB 0.795 29.308 28.738 -0.375 0.000 1.220 221 Q HN 0.031 nan 8.270 nan 0.000 0.474 222 F N -0.718 119.213 119.950 -0.032 0.000 2.772 222 F HA 0.088 4.616 4.527 0.001 0.000 0.316 222 F C 0.883 176.680 175.800 -0.006 0.000 1.114 222 F CA -0.630 57.364 58.000 -0.011 0.000 1.191 222 F CB 0.448 39.447 39.000 -0.002 0.000 1.065 222 F HN 0.141 nan 8.300 nan 0.000 0.534 223 S N -0.227 115.533 115.700 0.099 0.000 2.537 223 S HA 0.193 4.663 4.470 0.001 0.000 0.286 223 S C 0.984 175.618 174.600 0.057 0.000 1.299 223 S CA 0.068 58.312 58.200 0.074 0.000 1.067 223 S CB 1.305 64.567 63.200 0.104 0.000 0.864 223 S HN 0.240 nan 8.310 nan 0.000 0.494 224 S N 1.344 117.063 115.700 0.031 0.000 2.506 224 S HA 0.260 4.730 4.470 0.001 0.000 0.230 224 S C 0.654 175.244 174.600 -0.016 0.000 1.066 224 S CA 0.108 58.322 58.200 0.023 0.000 0.940 224 S CB -0.511 62.707 63.200 0.030 0.000 0.818 224 S HN 1.050 nan 8.310 nan 0.000 0.518 225 c N 1.375 119.941 118.600 -0.057 0.000 3.170 225 c HA 0.911 5.481 4.570 0.001 0.000 0.319 225 c C -0.569 173.416 174.090 -0.175 0.000 1.260 225 c CA -1.253 55.016 56.329 -0.100 0.000 1.374 225 c CB 1.052 43.523 42.510 -0.065 0.000 1.739 225 c HN 0.408 nan 8.230 nan 0.000 0.479 226 V N -0.575 119.192 119.914 -0.245 0.000 3.001 226 V HA 0.928 5.048 4.120 0.001 0.000 0.314 226 V C -1.205 174.776 176.094 -0.188 0.000 1.099 226 V CA -0.814 61.299 62.300 -0.312 0.000 0.989 226 V CB 1.717 33.153 31.823 -0.645 0.000 1.040 226 V HN 0.809 nan 8.190 nan 0.000 0.434 227 L N 3.507 124.637 121.223 -0.156 0.000 2.372 227 L HA 0.654 4.994 4.340 0.001 0.000 0.273 227 L C -0.486 176.321 176.870 -0.104 0.000 0.989 227 L CA 0.134 54.901 54.840 -0.122 0.000 0.841 227 L CB 1.341 43.320 42.059 -0.134 0.000 1.225 227 L HN 0.606 nan 8.230 nan 0.000 0.414 228 I N 1.996 122.510 120.570 -0.094 0.000 2.493 228 I HA 0.454 4.624 4.170 0.001 0.000 0.298 228 I C -0.111 175.955 176.117 -0.086 0.000 0.998 228 I CA -0.535 60.717 61.300 -0.079 0.000 1.137 228 I CB 2.049 40.000 38.000 -0.081 0.000 1.310 228 I HN 0.551 nan 8.210 nan 0.000 0.445 229 E N 4.821 124.983 120.200 -0.065 0.000 2.185 229 E HA 0.320 4.670 4.350 0.001 0.000 0.261 229 E C -1.624 174.960 176.600 -0.027 0.000 0.879 229 E CA -0.611 55.761 56.400 -0.047 0.000 0.756 229 E CB 1.709 31.381 29.700 -0.047 0.000 1.152 229 E HN 0.687 nan 8.360 nan 0.000 0.416 230 C N 4.390 123.682 119.300 -0.013 0.000 2.435 230 C HA 0.695 5.155 4.460 0.001 0.000 0.375 230 C C 0.919 175.939 174.990 0.050 0.000 1.281 230 C CA -0.129 58.908 59.018 0.031 0.000 1.963 230 C CB -0.588 27.206 27.740 0.089 0.000 2.490 230 C HN 0.848 nan 8.230 nan 0.000 0.557 231 G N 3.126 111.954 108.800 0.046 0.000 2.528 231 G HA2 0.303 4.264 3.960 0.001 0.000 0.289 231 G HA3 0.303 4.264 3.960 0.001 0.000 0.289 231 G C -0.405 174.528 174.900 0.055 0.000 1.192 231 G CA -0.134 44.980 45.100 0.023 0.000 0.921 231 G HN 0.789 nan 8.290 nan 0.000 0.512 232 D N -0.609 119.795 120.400 0.007 0.000 2.619 232 D HA 0.347 4.988 4.640 0.001 0.000 0.224 232 D C 0.218 176.531 176.300 0.021 0.000 1.133 232 D CA -0.039 53.957 54.000 -0.006 0.000 1.017 232 D CB -0.435 40.269 40.800 -0.161 0.000 1.077 232 D HN 0.463 nan 8.370 nan 0.000 0.503 233 S N 0.983 116.828 115.700 0.242 0.000 2.543 233 S HA 0.216 4.687 4.470 0.001 0.000 0.274 233 S C 0.867 175.589 174.600 0.204 0.000 1.149 233 S CA -0.908 57.464 58.200 0.288 0.000 0.866 233 S CB 0.631 63.897 63.200 0.110 0.000 1.111 233 S HN 0.120 nan 8.310 nan 0.000 0.457 234 L N 1.219 122.538 121.223 0.160 0.000 2.079 234 L HA -0.102 4.239 4.340 0.001 0.000 0.210 234 L C 1.975 178.859 176.870 0.025 0.000 1.081 234 L CA 1.541 56.374 54.840 -0.012 0.000 0.752 234 L CB -0.642 41.420 42.059 0.004 0.000 0.896 234 L HN 0.718 nan 8.230 nan 0.000 0.433 235 D N -0.616 119.819 120.400 0.059 0.000 2.104 235 D HA -0.190 4.451 4.640 0.001 0.000 0.194 235 D C 2.378 178.715 176.300 0.061 0.000 0.994 235 D CA 1.603 55.637 54.000 0.055 0.000 0.830 235 D CB -0.060 40.771 40.800 0.052 0.000 0.959 235 D HN 0.118 nan 8.370 nan 0.000 0.452 236 S N -0.281 115.459 115.700 0.066 0.000 2.355 236 S HA -0.076 4.395 4.470 0.001 0.000 0.222 236 S C 2.194 176.857 174.600 0.106 0.000 1.031 236 S CA 0.489 58.733 58.200 0.074 0.000 0.993 236 S CB -0.264 62.978 63.200 0.070 0.000 0.859 236 S HN 0.168 nan 8.310 nan 0.000 0.453 237 I N 2.006 122.631 120.570 0.091 0.000 2.145 237 I HA -0.277 3.893 4.170 0.001 0.000 0.244 237 I C 2.330 178.578 176.117 0.217 0.000 1.075 237 I CA 1.354 62.739 61.300 0.142 0.000 1.332 237 I CB -0.621 37.236 38.000 -0.239 0.000 1.033 237 I HN 0.307 nan 8.210 nan 0.000 0.410 238 N N 0.991 119.768 118.700 0.129 0.000 2.043 238 N HA -0.153 4.587 4.740 0.001 0.000 0.193 238 N C 1.898 177.495 175.510 0.144 0.000 1.037 238 N CA 1.814 54.955 53.050 0.151 0.000 0.851 238 N CB -0.537 38.010 38.487 0.100 0.000 1.027 238 N HN 0.394 nan 8.380 nan 0.000 0.422 239 A N 0.348 123.233 122.820 0.108 0.000 1.865 239 A HA -0.180 4.140 4.320 0.001 0.000 0.217 239 A C 2.388 180.025 177.584 0.089 0.000 1.191 239 A CA 2.386 54.474 52.037 0.085 0.000 0.623 239 A CB -1.360 17.680 19.000 0.065 0.000 0.826 239 A HN 0.352 nan 8.150 nan 0.000 0.444 240 T N -0.338 114.273 114.554 0.095 0.000 2.597 240 T HA -0.227 4.123 4.350 0.001 0.000 0.267 240 T C 2.281 177.020 174.700 0.065 0.000 1.053 240 T CA 2.127 64.246 62.100 0.033 0.000 1.165 240 T CB -0.564 68.284 68.868 -0.035 0.000 0.863 240 T HN 0.579 nan 8.240 nan 0.000 0.427 241 S N 0.344 116.176 115.700 0.221 0.000 2.359 241 S HA -0.174 4.296 4.470 0.001 0.000 0.223 241 S C 2.405 177.067 174.600 0.103 0.000 1.039 241 S CA 1.954 60.277 58.200 0.205 0.000 1.042 241 S CB -0.675 62.664 63.200 0.231 0.000 0.915 241 S HN 0.444 nan 8.310 nan 0.000 0.439 242 S N 1.220 116.981 115.700 0.101 0.000 2.359 242 S HA -0.142 4.328 4.470 0.001 0.000 0.223 242 S C 2.223 176.852 174.600 0.049 0.000 1.039 242 S CA 1.387 59.627 58.200 0.066 0.000 1.042 242 S CB -0.930 62.307 63.200 0.062 0.000 0.915 242 S HN 0.746 nan 8.310 nan 0.000 0.439 243 A N 1.389 124.245 122.820 0.061 0.000 1.892 243 A HA -0.152 4.169 4.320 0.001 0.000 0.218 243 A C 2.071 179.730 177.584 0.126 0.000 1.188 243 A CA 1.742 53.830 52.037 0.086 0.000 0.631 243 A CB -0.926 18.141 19.000 0.112 0.000 0.822 243 A HN 0.526 nan 8.150 nan 0.000 0.447 244 I N -0.340 120.286 120.570 0.093 0.000 2.151 244 I HA -0.276 3.895 4.170 0.001 0.000 0.243 244 I C 2.362 178.533 176.117 0.090 0.000 1.080 244 I CA 1.533 62.887 61.300 0.091 0.000 1.339 244 I CB -0.555 37.466 38.000 0.036 0.000 1.039 244 I HN 0.183 nan 8.210 nan 0.000 0.409 245 V N 1.032 120.979 119.914 0.055 0.000 2.287 245 V HA -0.290 3.830 4.120 0.001 0.000 0.248 245 V C 2.513 178.616 176.094 0.016 0.000 1.053 245 V CA 1.805 64.125 62.300 0.034 0.000 1.027 245 V CB -0.784 31.053 31.823 0.023 0.000 0.646 245 V HN 0.396 nan 8.190 nan 0.000 0.447 246 K N -0.959 119.430 120.400 -0.019 0.000 2.057 246 K HA -0.157 4.163 4.320 0.001 0.000 0.206 246 K C 2.149 178.678 176.600 -0.118 0.000 1.050 246 K CA 1.558 57.781 56.287 -0.108 0.000 0.935 246 K CB -0.506 31.873 32.500 -0.203 0.000 0.715 246 K HN 0.461 nan 8.250 nan 0.000 0.439 247 Y N 1.313 121.609 120.300 -0.006 0.000 2.242 247 Y HA -0.157 4.393 4.550 0.001 0.000 0.291 247 Y C 2.354 178.249 175.900 -0.008 0.000 1.137 247 Y CA 0.801 58.896 58.100 -0.009 0.000 1.181 247 Y CB -0.548 37.909 38.460 -0.006 0.000 0.989 247 Y HN -0.109 nan 8.280 nan 0.000 0.527 248 V N -2.435 117.566 119.914 0.145 0.000 3.041 248 V HA -0.088 4.032 4.120 0.001 0.000 0.260 248 V C 1.947 178.075 176.094 0.056 0.000 1.105 248 V CA 1.332 63.685 62.300 0.089 0.000 1.125 248 V CB -1.050 30.811 31.823 0.063 0.000 0.730 248 V HN 0.422 nan 8.190 nan 0.000 0.479 249 S N -0.123 115.598 115.700 0.035 0.000 2.555 249 S HA -0.034 4.437 4.470 0.001 0.000 0.230 249 S C 1.535 176.138 174.600 0.003 0.000 0.978 249 S CA 0.872 59.077 58.200 0.009 0.000 0.934 249 S CB -0.411 62.782 63.200 -0.011 0.000 0.766 249 S HN 0.736 nan 8.310 nan 0.000 0.533 250 Q N 0.181 119.995 119.800 0.024 0.000 2.175 250 Q HA 0.421 4.761 4.340 0.001 0.000 0.225 250 Q C -0.256 175.774 176.000 0.050 0.000 0.837 250 Q CA -0.373 55.442 55.803 0.020 0.000 1.032 250 Q CB 0.254 28.996 28.738 0.008 0.000 1.137 250 Q HN 0.472 nan 8.270 nan 0.000 0.483 251 R N -1.505 119.027 120.500 0.053 0.000 3.951 251 R HA -0.202 4.139 4.340 0.001 0.000 0.352 251 R C -0.299 176.037 176.300 0.060 0.000 1.178 251 R CA 0.621 56.753 56.100 0.052 0.000 0.949 251 R CB -2.192 28.134 30.300 0.043 0.000 1.452 251 R HN 0.277 nan 8.270 nan 0.000 0.540 252 A N 0.767 123.634 122.820 0.079 0.000 2.354 252 A HA 0.632 4.952 4.320 0.001 0.000 0.269 252 A C 0.963 178.560 177.584 0.021 0.000 1.109 252 A CA 0.297 52.361 52.037 0.045 0.000 0.800 252 A CB 0.603 19.619 19.000 0.026 0.000 1.045 252 A HN 0.297 nan 8.150 nan 0.000 0.489 253 G N 0.862 109.662 108.800 0.001 0.000 2.432 253 G HA2 0.493 4.454 3.960 0.001 0.000 0.257 253 G HA3 0.493 4.454 3.960 0.001 0.000 0.257 253 G C -0.258 174.626 174.900 -0.027 0.000 1.238 253 G CA -0.327 44.775 45.100 0.004 0.000 0.838 253 G HN 0.518 nan 8.290 nan 0.000 0.547 254 I N 1.260 121.823 120.570 -0.012 0.000 2.441 254 I HA 0.494 4.664 4.170 0.001 0.000 0.295 254 I C 0.594 176.712 176.117 0.002 0.000 0.994 254 I CA -0.852 60.429 61.300 -0.032 0.000 1.144 254 I CB 1.347 39.332 38.000 -0.025 0.000 1.314 254 I HN 0.526 nan 8.210 nan 0.000 0.445 255 G N 6.748 115.554 108.800 0.011 0.000 2.574 255 G HA2 0.717 4.677 3.960 0.001 0.000 0.306 255 G HA3 0.717 4.677 3.960 0.001 0.000 0.306 255 G C -0.790 174.164 174.900 0.090 0.000 1.334 255 G CA -0.303 44.884 45.100 0.145 0.000 0.954 255 G HN 0.448 nan 8.290 nan 0.000 0.500 256 I N 2.047 122.687 120.570 0.118 0.000 2.404 256 I HA 0.261 4.432 4.170 0.001 0.000 0.293 256 I C -0.536 175.671 176.117 0.150 0.000 0.992 256 I CA -1.066 60.231 61.300 -0.005 0.000 1.149 256 I CB 2.234 40.112 38.000 -0.203 0.000 1.315 256 I HN 0.336 nan 8.210 nan 0.000 0.446 257 N N 5.233 123.976 118.700 0.072 0.000 2.457 257 N HA 0.483 5.224 4.740 0.001 0.000 0.250 257 N C -0.301 175.292 175.510 0.138 0.000 0.982 257 N CA -0.339 52.809 53.050 0.163 0.000 0.941 257 N CB 1.612 40.145 38.487 0.077 0.000 1.120 257 N HN 0.720 nan 8.380 nan 0.000 0.505 258 A N 2.361 125.310 122.820 0.215 0.000 2.631 258 A HA 0.385 4.705 4.320 0.001 0.000 0.294 258 A C 1.455 179.263 177.584 0.373 0.000 1.156 258 A CA -0.048 52.157 52.037 0.280 0.000 0.963 258 A CB -0.306 18.885 19.000 0.318 0.000 1.202 258 A HN 0.656 nan 8.150 nan 0.000 0.523 259 G N 0.668 109.702 108.800 0.390 0.000 2.432 259 G HA2 -0.190 3.770 3.960 0.001 0.000 0.219 259 G HA3 -0.190 3.770 3.960 0.001 0.000 0.219 259 G C 1.455 176.568 174.900 0.356 0.000 1.135 259 G CA 0.718 46.104 45.100 0.477 0.000 0.767 259 G HN 0.558 nan 8.290 nan 0.000 0.550 260 R N -0.293 120.259 120.500 0.087 0.000 2.299 260 R HA 0.271 4.612 4.340 0.001 0.000 0.197 260 R C 0.628 176.992 176.300 0.106 0.000 0.971 260 R CA -0.256 55.779 56.100 -0.108 0.000 1.030 260 R CB -0.061 30.036 30.300 -0.337 0.000 0.932 260 R HN 0.305 nan 8.270 nan 0.000 0.477 261 I N 3.623 124.347 120.570 0.257 0.000 2.662 261 I HA -0.083 4.087 4.170 0.001 0.000 0.285 261 I C 0.760 177.094 176.117 0.362 0.000 1.161 261 I CA 0.023 61.525 61.300 0.337 0.000 1.415 261 I CB 0.250 38.523 38.000 0.456 0.000 1.385 261 I HN 0.235 nan 8.210 nan 0.000 0.552 262 R N 6.052 126.657 120.500 0.176 0.000 2.811 262 R HA 0.446 4.786 4.340 0.001 0.000 0.265 262 R C -0.093 176.358 176.300 0.252 0.000 1.026 262 R CA -0.589 55.577 56.100 0.110 0.000 1.142 262 R CB 0.253 30.476 30.300 -0.129 0.000 1.027 262 R HN 0.591 nan 8.270 nan 0.000 0.465 263 A N 2.675 125.584 122.820 0.148 0.000 2.304 263 A HA 0.294 4.615 4.320 0.001 0.000 0.271 263 A C -0.106 177.550 177.584 0.119 0.000 1.091 263 A CA -0.851 51.295 52.037 0.181 0.000 0.812 263 A CB 0.461 19.504 19.000 0.070 0.000 1.056 263 A HN 0.761 nan 8.150 nan 0.000 0.489 264 L N 1.767 123.050 121.223 0.101 0.000 2.601 264 L HA 0.386 4.726 4.340 0.001 0.000 0.277 264 L C 1.172 178.074 176.870 0.053 0.000 1.219 264 L CA 2.283 57.162 54.840 0.067 0.000 0.915 264 L CB -0.063 42.009 42.059 0.022 0.000 1.160 264 L HN 1.638 nan 8.230 nan 0.000 0.494 265 G N 2.105 110.946 108.800 0.069 0.000 2.313 265 G HA2 -0.247 3.714 3.960 0.001 0.000 0.215 265 G HA3 -0.247 3.714 3.960 0.001 0.000 0.215 265 G C 0.480 175.377 174.900 -0.005 0.000 1.023 265 G CA 0.057 45.196 45.100 0.064 0.000 0.626 265 G HN 0.873 nan 8.290 nan 0.000 0.503 266 S N 3.344 119.014 115.700 -0.050 0.000 2.563 266 S HA 0.443 4.913 4.470 0.001 0.000 0.284 266 S C -1.882 172.548 174.600 -0.284 0.000 1.331 266 S CA -0.107 58.025 58.200 -0.113 0.000 1.047 266 S CB 0.972 64.122 63.200 -0.082 0.000 0.859 266 S HN 0.397 nan 8.310 nan 0.000 0.514 267 P HA 0.148 nan 4.420 nan 0.000 0.269 267 P C -0.031 177.115 177.300 -0.256 0.000 1.209 267 P CA -0.397 62.551 63.100 -0.253 0.000 0.776 267 P CB 0.255 31.898 31.700 -0.095 0.000 0.876 268 I N 2.288 122.744 120.570 -0.189 0.000 2.662 268 I HA -0.011 4.160 4.170 0.001 0.000 0.285 268 I C 0.815 176.944 176.117 0.020 0.000 1.161 268 I CA -0.259 61.047 61.300 0.009 0.000 1.415 268 I CB 0.228 38.332 38.000 0.174 0.000 1.385 268 I HN 0.147 nan 8.210 nan 0.000 0.552 269 R N 6.876 127.393 120.500 0.028 0.000 4.164 269 R HA 0.260 4.600 4.340 0.001 0.000 0.195 269 R C 0.513 176.838 176.300 0.040 0.000 1.712 269 R CA 0.473 56.573 56.100 -0.000 0.000 1.457 269 R CB -0.764 29.501 30.300 -0.057 0.000 1.387 269 R HN 0.885 nan 8.270 nan 0.000 0.785 270 G N 0.984 109.810 108.800 0.044 0.000 2.372 270 G HA2 -0.126 3.834 3.960 0.001 0.000 0.290 270 G HA3 -0.126 3.834 3.960 0.001 0.000 0.290 270 G C 0.784 175.724 174.900 0.066 0.000 0.965 270 G CA 0.490 45.619 45.100 0.049 0.000 1.263 270 G HN 1.107 nan 8.290 nan 0.000 0.498 271 G N -0.724 108.128 108.800 0.087 0.000 2.238 271 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 271 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 271 G C 0.145 175.120 174.900 0.124 0.000 0.996 271 G CA 0.468 45.623 45.100 0.091 0.000 0.632 271 G HN 0.960 nan 8.290 nan 0.000 0.503 272 E N 1.262 121.569 120.200 0.178 0.000 2.089 272 E HA 0.585 4.935 4.350 0.001 0.000 0.284 272 E C 0.429 177.243 176.600 0.356 0.000 1.023 272 E CA 0.173 56.745 56.400 0.287 0.000 0.819 272 E CB 1.185 31.149 29.700 0.441 0.000 1.076 272 E HN 0.550 nan 8.360 nan 0.000 0.396 273 A N 4.568 127.521 122.820 0.222 0.000 3.004 273 A HA 0.172 4.492 4.320 0.001 0.000 0.286 273 A C -0.279 177.425 177.584 0.200 0.000 1.632 273 A CA -0.258 51.916 52.037 0.228 0.000 1.339 273 A CB -0.559 18.522 19.000 0.135 0.000 1.136 273 A HN 0.572 nan 8.150 nan 0.000 0.577 274 F N 0.013 120.045 119.950 0.136 0.000 2.732 274 F HA 0.112 4.639 4.527 0.001 0.000 0.303 274 F C 1.899 177.732 175.800 0.055 0.000 1.110 274 F CA -0.327 57.761 58.000 0.148 0.000 1.355 274 F CB -0.439 38.641 39.000 0.133 0.000 1.081 274 F HN 0.617 nan 8.300 nan 0.000 0.565 275 H N 0.286 119.472 119.070 0.194 0.000 2.325 275 H HA -0.211 4.346 4.556 0.001 0.000 0.293 275 H C 2.381 177.736 175.328 0.044 0.000 1.106 275 H CA 2.428 58.532 56.048 0.092 0.000 1.247 275 H CB -0.666 29.126 29.762 0.049 0.000 1.359 275 H HN 0.308 nan 8.280 nan 0.000 0.488 276 T N -1.870 112.758 114.554 0.125 0.000 2.929 276 T HA 0.176 4.526 4.350 0.001 0.000 0.271 276 T C 1.234 175.903 174.700 -0.052 0.000 1.085 276 T CA 0.974 63.063 62.100 -0.018 0.000 1.125 276 T CB -0.151 68.634 68.868 -0.138 0.000 0.874 276 T HN 0.748 nan 8.240 nan 0.000 0.494 277 G N -0.663 108.150 108.800 0.022 0.000 2.631 277 G HA2 -0.161 3.799 3.960 0.001 0.000 0.504 277 G HA3 -0.161 3.799 3.960 0.001 0.000 0.504 277 G C 0.666 175.572 174.900 0.011 0.000 1.306 277 G CA -0.526 44.599 45.100 0.042 0.000 0.897 277 G HN 0.342 nan 8.290 nan 0.000 0.520 278 C N 0.156 119.433 119.300 -0.039 0.000 2.457 278 C HA 0.068 4.529 4.460 0.001 0.000 0.278 278 C C 3.013 177.782 174.990 -0.369 0.000 1.309 278 C CA 1.295 60.226 59.018 -0.145 0.000 1.735 278 C CB -1.556 25.915 27.740 -0.448 0.000 1.992 278 C HN 0.520 nan 8.230 nan 0.000 0.493 279 I N 1.942 122.256 120.570 -0.427 0.000 2.127 279 I HA -0.143 4.027 4.170 0.001 0.000 0.241 279 I C -0.377 175.633 176.117 -0.179 0.000 1.075 279 I CA 1.842 62.938 61.300 -0.340 0.000 1.334 279 I CB -2.483 35.360 38.000 -0.262 0.000 1.040 279 I HN 0.197 nan 8.210 nan 0.000 0.405 280 P HA -0.179 nan 4.420 nan 0.000 0.216 280 P C 1.726 178.834 177.300 -0.321 0.000 1.153 280 P CA 1.742 64.640 63.100 -0.338 0.000 0.858 280 P CB -0.156 31.232 31.700 -0.521 0.000 0.789 281 F N -2.461 117.418 119.950 -0.119 0.000 2.128 281 F HA -0.129 4.399 4.527 0.001 0.000 0.295 281 F C 2.433 178.093 175.800 -0.234 0.000 1.100 281 F CA 0.929 58.791 58.000 -0.229 0.000 1.260 281 F CB -1.760 37.096 39.000 -0.239 0.000 1.009 281 F HN -0.128 nan 8.300 nan 0.000 0.476 282 Y N 0.711 121.022 120.300 0.018 0.000 2.069 282 Y HA -0.297 4.254 4.550 0.001 0.000 0.278 282 Y C 2.449 178.426 175.900 0.129 0.000 1.175 282 Y CA 1.203 59.404 58.100 0.169 0.000 1.134 282 Y CB -1.408 37.181 38.460 0.215 0.000 0.965 282 Y HN -0.013 nan 8.280 nan 0.000 0.498 283 K N -0.938 119.601 120.400 0.232 0.000 2.059 283 K HA -0.281 4.039 4.320 0.001 0.000 0.212 283 K C 2.085 178.785 176.600 0.167 0.000 1.050 283 K CA 2.009 58.393 56.287 0.162 0.000 0.927 283 K CB -0.488 32.058 32.500 0.077 0.000 0.714 283 K HN 0.342 nan 8.250 nan 0.000 0.447 284 H N -0.870 118.202 119.070 0.003 0.000 2.387 284 H HA -0.105 4.451 4.556 0.001 0.000 0.299 284 H C 1.510 176.886 175.328 0.081 0.000 1.090 284 H CA 1.872 57.914 56.048 -0.009 0.000 1.332 284 H CB -0.108 29.614 29.762 -0.067 0.000 1.386 284 H HN 0.126 nan 8.280 nan 0.000 0.516 285 F N 0.574 120.591 119.950 0.113 0.000 2.146 285 F HA -0.105 4.422 4.527 0.001 0.000 0.298 285 F C 2.841 178.650 175.800 0.014 0.000 1.096 285 F CA 1.341 59.350 58.000 0.015 0.000 1.275 285 F CB -1.091 37.943 39.000 0.055 0.000 1.008 285 F HN 0.282 nan 8.300 nan 0.000 0.480 286 Q N 0.290 120.239 119.800 0.248 0.000 2.061 286 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 286 Q C 2.271 178.343 176.000 0.121 0.000 0.984 286 Q CA 2.935 58.842 55.803 0.174 0.000 0.846 286 Q CB -0.242 28.612 28.738 0.194 0.000 0.902 286 Q HN 0.540 nan 8.270 nan 0.000 0.421 287 T N -1.736 112.877 114.554 0.099 0.000 2.788 287 T HA -0.072 4.278 4.350 0.001 0.000 0.268 287 T C 1.849 176.566 174.700 0.028 0.000 1.044 287 T CA 1.190 63.330 62.100 0.065 0.000 1.139 287 T CB -0.509 68.405 68.868 0.077 0.000 0.867 287 T HN 0.365 nan 8.240 nan 0.000 0.454 288 A N 1.410 124.222 122.820 -0.014 0.000 1.865 288 A HA 0.016 4.337 4.320 0.001 0.000 0.217 288 A C 2.683 180.289 177.584 0.036 0.000 1.191 288 A CA 1.815 53.847 52.037 -0.010 0.000 0.623 288 A CB -1.270 17.722 19.000 -0.012 0.000 0.826 288 A HN 0.413 nan 8.150 nan 0.000 0.444 289 V N -0.268 119.682 119.914 0.059 0.000 2.324 289 V HA -0.240 3.880 4.120 0.001 0.000 0.250 289 V C 2.252 178.373 176.094 0.046 0.000 1.060 289 V CA 2.475 64.808 62.300 0.055 0.000 1.042 289 V CB -0.559 31.301 31.823 0.061 0.000 0.650 289 V HN 0.501 nan 8.190 nan 0.000 0.450 290 K N 0.395 120.822 120.400 0.045 0.000 2.458 290 K HA 0.058 4.378 4.320 0.001 0.000 0.194 290 K C 1.982 178.597 176.600 0.025 0.000 1.024 290 K CA 0.603 56.908 56.287 0.030 0.000 1.108 290 K CB -0.119 32.397 32.500 0.026 0.000 0.846 290 K HN 0.660 nan 8.250 nan 0.000 0.518 291 S N -0.942 114.775 115.700 0.028 0.000 2.400 291 S HA -0.168 4.302 4.470 0.001 0.000 0.232 291 S C 1.205 175.817 174.600 0.019 0.000 1.025 291 S CA 0.808 59.023 58.200 0.024 0.000 0.993 291 S CB -0.393 62.821 63.200 0.023 0.000 0.808 291 S HN 0.275 nan 8.310 nan 0.000 0.478 292 C N 3.208 122.520 119.300 0.019 0.000 2.641 292 C HA 0.705 5.165 4.460 0.001 0.000 0.294 292 C C 0.289 175.288 174.990 0.015 0.000 1.496 292 C CA -1.100 57.927 59.018 0.016 0.000 1.672 292 C CB -1.598 26.151 27.740 0.015 0.000 2.763 292 C HN 0.536 nan 8.230 nan 0.000 0.545 293 S N -0.567 115.140 115.700 0.011 0.000 2.547 293 S HA 0.470 4.940 4.470 0.001 0.000 0.281 293 S C 0.122 174.722 174.600 0.000 0.000 1.118 293 S CA -0.601 57.603 58.200 0.007 0.000 0.947 293 S CB 1.587 64.790 63.200 0.005 0.000 1.053 293 S HN 0.293 nan 8.310 nan 0.000 0.482 294 Q N 2.164 121.964 119.800 0.000 0.000 2.463 294 Q HA -0.283 4.058 4.340 0.001 0.000 0.231 294 Q C 1.967 177.965 176.000 -0.004 0.000 1.097 294 Q CA 2.927 58.730 55.803 -0.001 0.000 0.992 294 Q CB -1.285 27.452 28.738 -0.002 0.000 0.999 294 Q HN 1.027 nan 8.270 nan 0.000 0.536 295 G N -3.787 105.006 108.800 -0.012 0.000 2.576 295 G HA2 0.379 4.340 3.960 0.001 0.000 0.210 295 G HA3 0.379 4.340 3.960 0.001 0.000 0.210 295 G C 0.751 175.645 174.900 -0.010 0.000 1.143 295 G CA 0.576 45.669 45.100 -0.011 0.000 0.819 295 G HN 0.850 nan 8.290 nan 0.000 0.534 296 G N -1.190 107.598 108.800 -0.019 0.000 2.456 296 G HA2 0.066 4.026 3.960 0.001 0.000 0.208 296 G HA3 0.066 4.026 3.960 0.001 0.000 0.208 296 G C 0.588 175.459 174.900 -0.047 0.000 1.004 296 G CA 0.629 45.721 45.100 -0.014 0.000 0.791 296 G HN 1.257 nan 8.290 nan 0.000 0.537 297 V N -4.134 115.729 119.914 -0.086 0.000 3.180 297 V HA 0.512 4.632 4.120 0.001 0.000 0.246 297 V C 0.839 176.847 176.094 -0.143 0.000 1.545 297 V CA 0.281 62.467 62.300 -0.190 0.000 1.138 297 V CB 0.110 31.762 31.823 -0.284 0.000 0.978 297 V HN 0.142 nan 8.190 nan 0.000 0.437 298 R N 2.219 122.675 120.500 -0.075 0.000 2.325 298 R HA 0.537 4.877 4.340 0.001 0.000 0.323 298 R C 0.374 176.666 176.300 -0.013 0.000 1.177 298 R CA 1.129 57.206 56.100 -0.039 0.000 1.018 298 R CB -0.022 30.264 30.300 -0.023 0.000 1.070 298 R HN 0.971 nan 8.270 nan 0.000 0.495 299 G N 1.258 110.057 108.800 -0.002 0.000 2.587 299 G HA2 0.199 4.159 3.960 0.001 0.000 0.686 299 G HA3 0.199 4.159 3.960 0.001 0.000 0.686 299 G C -0.218 174.695 174.900 0.021 0.000 1.236 299 G CA -0.499 44.611 45.100 0.017 0.000 0.820 299 G HN 0.905 nan 8.290 nan 0.000 0.645 300 G N -1.165 107.656 108.800 0.034 0.000 3.292 300 G HA2 0.547 4.508 3.960 0.001 0.000 0.636 300 G HA3 0.547 4.508 3.960 0.001 0.000 0.636 300 G C 0.200 175.126 174.900 0.044 0.000 1.069 300 G CA 0.882 46.004 45.100 0.038 0.000 0.890 300 G HN 2.670 nan 8.290 nan 0.000 0.427 301 A N 1.397 124.246 122.820 0.048 0.000 2.365 301 A HA 1.182 5.502 4.320 0.001 0.000 0.318 301 A C 0.336 177.942 177.584 0.037 0.000 1.091 301 A CA 0.320 52.389 52.037 0.054 0.000 0.763 301 A CB 1.913 20.959 19.000 0.076 0.000 1.248 301 A HN 2.626 nan 8.150 nan 0.000 0.442 302 A N 0.633 123.464 122.820 0.017 0.000 2.566 302 A HA 0.909 5.229 4.320 0.001 0.000 0.292 302 A C -0.565 176.979 177.584 -0.067 0.000 1.112 302 A CA -0.528 51.501 52.037 -0.013 0.000 0.707 302 A CB 1.477 20.460 19.000 -0.029 0.000 1.302 302 A HN 0.947 nan 8.150 nan 0.000 0.409 303 T N 1.195 115.699 114.554 -0.082 0.000 2.928 303 T HA 0.534 4.885 4.350 0.001 0.000 0.296 303 T C -1.102 173.416 174.700 -0.302 0.000 1.000 303 T CA -0.139 61.821 62.100 -0.233 0.000 0.989 303 T CB 0.988 69.778 68.868 -0.129 0.000 1.005 303 T HN 0.587 nan 8.240 nan 0.000 0.442 304 L N 3.762 124.704 121.223 -0.468 0.000 2.307 304 L HA 0.726 5.066 4.340 0.001 0.000 0.284 304 L C -1.413 175.264 176.870 -0.321 0.000 1.023 304 L CA -0.672 54.025 54.840 -0.239 0.000 0.810 304 L CB 0.629 42.592 42.059 -0.161 0.000 1.231 304 L HN 0.537 nan 8.230 nan 0.000 0.423 305 F N 4.202 124.174 119.950 0.036 0.000 2.480 305 F HA 0.605 5.132 4.527 0.001 0.000 0.329 305 F C -0.566 175.302 175.800 0.113 0.000 1.091 305 F CA -0.473 57.527 58.000 -0.000 0.000 0.972 305 F CB 1.507 40.530 39.000 0.040 0.000 1.150 305 F HN 0.323 nan 8.300 nan 0.000 0.467 306 Y N 0.442 120.928 120.300 0.310 0.000 2.552 306 Y HA 0.645 5.196 4.550 0.001 0.000 0.337 306 Y C -3.354 172.625 175.900 0.133 0.000 1.094 306 Y CA -3.866 54.372 58.100 0.230 0.000 1.028 306 Y CB 0.561 39.105 38.460 0.140 0.000 1.321 306 Y HN 0.242 nan 8.280 nan 0.000 0.456 307 P HA 0.016 nan 4.420 nan 0.000 0.269 307 P C 0.661 177.874 177.300 -0.145 0.000 1.209 307 P CA -0.125 62.849 63.100 -0.211 0.000 0.776 307 P CB 1.141 32.090 31.700 -1.252 0.000 0.876 308 M N 3.134 122.650 119.600 -0.140 0.000 2.213 308 M HA -0.075 4.405 4.480 0.001 0.000 0.263 308 M C 1.234 177.546 176.300 0.021 0.000 1.062 308 M CA 1.708 56.995 55.300 -0.023 0.000 1.105 308 M CB -0.296 32.266 32.600 -0.063 0.000 1.385 308 M HN 0.473 nan 8.290 nan 0.000 0.417 309 W N -0.522 120.805 121.300 0.045 0.000 3.256 309 W HA 0.114 4.774 4.660 0.001 0.000 0.269 309 W C 0.245 176.849 176.519 0.141 0.000 1.310 309 W CA -0.496 56.906 57.345 0.095 0.000 1.673 309 W CB -1.488 28.064 29.460 0.153 0.000 1.115 309 W HN 0.118 nan 8.180 nan 0.000 0.686 310 H N 2.427 121.452 119.070 -0.075 0.000 3.064 310 H HA -0.110 4.446 4.556 0.001 0.000 0.329 310 H C 1.118 176.500 175.328 0.090 0.000 1.020 310 H CA 0.772 56.823 56.048 0.004 0.000 1.402 310 H CB 1.543 31.241 29.762 -0.107 0.000 1.379 310 H HN 0.067 nan 8.280 nan 0.000 0.594 311 L N 4.582 125.750 121.223 -0.092 0.000 2.081 311 L HA -0.199 4.141 4.340 0.001 0.000 0.212 311 L C 1.510 178.449 176.870 0.115 0.000 1.080 311 L CA 1.929 56.780 54.840 0.019 0.000 0.754 311 L CB -0.299 41.726 42.059 -0.057 0.000 0.893 311 L HN 0.738 nan 8.230 nan 0.000 0.433 312 E N -1.565 118.818 120.200 0.304 0.000 2.394 312 E HA -0.006 4.344 4.350 0.001 0.000 0.191 312 E C 1.896 178.447 176.600 -0.082 0.000 1.044 312 E CA 0.061 56.496 56.400 0.057 0.000 0.939 312 E CB 0.047 29.727 29.700 -0.032 0.000 1.089 312 E HN 0.312 nan 8.360 nan 0.000 0.456 313 V N 1.584 121.482 119.914 -0.028 0.000 2.324 313 V HA -0.326 3.794 4.120 0.001 0.000 0.250 313 V C 1.837 177.859 176.094 -0.119 0.000 1.060 313 V CA 2.136 64.362 62.300 -0.122 0.000 1.042 313 V CB -0.089 31.737 31.823 0.005 0.000 0.650 313 V HN 0.320 nan 8.190 nan 0.000 0.450 314 E N -0.653 119.503 120.200 -0.074 0.000 2.268 314 E HA -0.125 4.225 4.350 0.001 0.000 0.195 314 E C 2.274 178.816 176.600 -0.097 0.000 0.995 314 E CA 1.238 57.598 56.400 -0.067 0.000 0.836 314 E CB -0.064 29.608 29.700 -0.045 0.000 0.763 314 E HN 0.591 nan 8.360 nan 0.000 0.491 315 S N 0.463 116.082 115.700 -0.135 0.000 2.439 315 S HA 0.062 4.532 4.470 0.001 0.000 0.224 315 S C 1.928 176.395 174.600 -0.220 0.000 1.029 315 S CA 0.184 58.291 58.200 -0.155 0.000 0.946 315 S CB 0.133 63.235 63.200 -0.163 0.000 0.797 315 S HN 0.168 nan 8.310 nan 0.000 0.504 316 L N 0.947 121.981 121.223 -0.315 0.000 2.027 316 L HA -0.053 4.288 4.340 0.001 0.000 0.206 316 L C 2.054 178.750 176.870 -0.291 0.000 1.074 316 L CA 0.727 55.296 54.840 -0.451 0.000 0.745 316 L CB -0.562 40.975 42.059 -0.871 0.000 0.898 316 L HN 0.277 nan 8.230 nan 0.000 0.433 317 L N 0.085 121.225 121.223 -0.138 0.000 2.187 317 L HA -0.134 4.206 4.340 0.001 0.000 0.213 317 L C 1.987 178.828 176.870 -0.049 0.000 1.100 317 L CA 1.529 56.358 54.840 -0.017 0.000 0.765 317 L CB -0.703 41.357 42.059 0.002 0.000 0.904 317 L HN 0.257 nan 8.230 nan 0.000 0.437 318 V N -4.916 114.946 119.914 -0.086 0.000 3.177 318 V HA 0.156 4.277 4.120 0.001 0.000 0.342 318 V C 1.713 177.760 176.094 -0.078 0.000 1.379 318 V CA 0.008 62.270 62.300 -0.063 0.000 1.191 318 V CB -0.413 31.378 31.823 -0.054 0.000 1.167 318 V HN 0.205 nan 8.190 nan 0.000 0.471 319 L N 0.720 121.862 121.223 -0.135 0.000 2.191 319 L HA -0.014 4.327 4.340 0.001 0.000 0.212 319 L C 2.385 179.255 176.870 0.000 0.000 1.103 319 L CA 1.658 56.431 54.840 -0.112 0.000 0.769 319 L CB -0.210 41.696 42.059 -0.255 0.000 0.908 319 L HN 0.500 nan 8.230 nan 0.000 0.438 320 K N -0.831 119.595 120.400 0.044 0.000 2.372 320 K HA 0.088 4.409 4.320 0.001 0.000 0.200 320 K C 0.306 176.907 176.600 0.001 0.000 1.022 320 K CA -0.264 56.049 56.287 0.043 0.000 1.125 320 K CB -0.311 32.239 32.500 0.083 0.000 0.855 320 K HN 0.027 nan 8.250 nan 0.000 0.524 321 N N 3.470 122.165 118.700 -0.008 0.000 2.427 321 N HA -0.074 4.666 4.740 0.001 0.000 0.269 321 N C 0.826 176.324 175.510 -0.019 0.000 1.235 321 N CA -0.041 53.001 53.050 -0.013 0.000 0.934 321 N CB 0.564 39.041 38.487 -0.018 0.000 1.121 321 N HN 0.207 nan 8.380 nan 0.000 0.480 322 N N 4.038 122.728 118.700 -0.017 0.000 2.120 322 N HA -0.210 4.530 4.740 0.001 0.000 0.188 322 N C 0.267 175.769 175.510 -0.014 0.000 1.024 322 N CA 1.095 54.135 53.050 -0.018 0.000 0.852 322 N CB -0.290 38.191 38.487 -0.010 0.000 1.003 322 N HN 0.481 nan 8.380 nan 0.000 0.424 323 R N 1.164 121.657 120.500 -0.013 0.000 2.459 323 R HA 0.340 4.680 4.340 0.001 0.000 0.301 323 R C -0.359 175.931 176.300 -0.017 0.000 1.286 323 R CA 0.392 56.484 56.100 -0.012 0.000 1.046 323 R CB -0.646 29.647 30.300 -0.011 0.000 1.071 323 R HN 0.500 nan 8.270 nan 0.000 0.512 324 G N 0.926 109.715 108.800 -0.018 0.000 2.368 324 G HA2 0.069 4.030 3.960 0.001 0.000 0.293 324 G HA3 0.069 4.030 3.960 0.001 0.000 0.293 324 G C -1.386 173.501 174.900 -0.022 0.000 1.467 324 G CA -0.755 44.332 45.100 -0.022 0.000 0.804 324 G HN 0.334 nan 8.290 nan 0.000 0.535 325 V N 0.834 120.733 119.914 -0.025 0.000 2.599 325 V HA 0.225 4.346 4.120 0.001 0.000 0.300 325 V C 1.581 177.660 176.094 -0.024 0.000 1.034 325 V CA 0.599 62.885 62.300 -0.024 0.000 1.115 325 V CB 1.283 33.089 31.823 -0.028 0.000 0.934 325 V HN 0.807 nan 8.190 nan 0.000 0.485 326 E N 4.698 124.887 120.200 -0.018 0.000 2.147 326 E HA -0.163 4.187 4.350 0.001 0.000 0.199 326 E C 1.960 178.549 176.600 -0.018 0.000 1.005 326 E CA 1.807 58.200 56.400 -0.013 0.000 0.810 326 E CB -0.571 29.126 29.700 -0.005 0.000 0.736 326 E HN 0.986 nan 8.360 nan 0.000 0.460 327 G N 0.163 108.947 108.800 -0.027 0.000 2.443 327 G HA2 -0.203 3.758 3.960 0.001 0.000 0.219 327 G HA3 -0.203 3.758 3.960 0.001 0.000 0.219 327 G C 1.083 175.953 174.900 -0.049 0.000 1.131 327 G CA 0.259 45.337 45.100 -0.037 0.000 0.775 327 G HN 0.268 nan 8.290 nan 0.000 0.547 328 N N 0.270 118.940 118.700 -0.050 0.000 2.453 328 N HA 0.225 4.965 4.740 0.001 0.000 0.270 328 N C -0.582 174.891 175.510 -0.060 0.000 1.195 328 N CA -0.311 52.699 53.050 -0.066 0.000 0.902 328 N CB 0.523 38.969 38.487 -0.068 0.000 1.186 328 N HN -0.061 nan 8.380 nan 0.000 0.510 329 R N 0.663 121.140 120.500 -0.039 0.000 2.564 329 R HA 0.362 4.702 4.340 0.001 0.000 0.284 329 R C -1.242 175.064 176.300 0.011 0.000 1.031 329 R CA -0.600 55.485 56.100 -0.026 0.000 0.904 329 R CB 1.957 32.240 30.300 -0.029 0.000 1.199 329 R HN -0.174 nan 8.270 nan 0.000 0.443 330 V N 4.675 124.622 119.914 0.054 0.000 2.313 330 V HA 0.301 4.422 4.120 0.001 0.000 0.262 330 V C 1.229 177.402 176.094 0.131 0.000 1.011 330 V CA -0.397 61.985 62.300 0.137 0.000 0.858 330 V CB 0.938 32.925 31.823 0.273 0.000 1.104 330 V HN 0.621 nan 8.190 nan 0.000 0.456 331 R N 0.270 120.737 120.500 -0.054 0.000 2.153 331 R HA 0.066 4.406 4.340 0.001 0.000 0.218 331 R C 0.581 176.746 176.300 -0.224 0.000 1.072 331 R CA 0.712 56.706 56.100 -0.177 0.000 0.990 331 R CB 0.123 30.205 30.300 -0.363 0.000 0.889 331 R HN 0.663 nan 8.270 nan 0.000 0.452 332 H N 0.040 119.167 119.070 0.095 0.000 2.595 332 H HA 0.344 4.901 4.556 0.001 0.000 0.264 332 H C -0.139 175.202 175.328 0.023 0.000 1.503 332 H CA 0.243 56.325 56.048 0.057 0.000 1.142 332 H CB -0.119 29.675 29.762 0.054 0.000 1.554 332 H HN 0.051 nan 8.280 nan 0.000 0.501 333 M N 0.937 120.552 119.600 0.025 0.000 2.365 333 M HA 0.161 4.641 4.480 0.001 0.000 0.287 333 M C -1.177 174.846 176.300 -0.462 0.000 1.154 333 M CA -0.720 54.478 55.300 -0.170 0.000 0.941 333 M CB 3.056 35.522 32.600 -0.224 0.000 1.704 333 M HN 0.029 nan 8.290 nan 0.000 0.479 334 D N 1.361 121.498 120.400 -0.438 0.000 2.312 334 D HA 0.464 5.105 4.640 0.001 0.000 0.248 334 D C -1.221 174.509 176.300 -0.950 0.000 1.086 334 D CA 0.341 54.023 54.000 -0.530 0.000 0.948 334 D CB 0.985 41.631 40.800 -0.255 0.000 1.162 334 D HN 0.278 nan 8.370 nan 0.000 0.446 335 Y N -0.847 119.263 120.300 -0.317 0.000 2.528 335 Y HA 0.554 5.104 4.550 0.001 0.000 0.335 335 Y C 0.985 176.584 175.900 -0.502 0.000 1.093 335 Y CA -1.015 56.880 58.100 -0.342 0.000 1.134 335 Y CB 2.040 40.438 38.460 -0.103 0.000 1.253 335 Y HN 0.337 nan 8.280 nan 0.000 0.478 336 G N 1.047 109.526 108.800 -0.534 0.000 2.814 336 G HA2 0.502 4.462 3.960 0.001 0.000 0.300 336 G HA3 0.502 4.462 3.960 0.001 0.000 0.300 336 G C -1.615 173.076 174.900 -0.348 0.000 1.406 336 G CA -0.540 44.297 45.100 -0.440 0.000 1.041 336 G HN 0.449 nan 8.290 nan 0.000 0.532 337 V N 2.701 122.473 119.914 -0.237 0.000 2.488 337 V HA 0.186 4.307 4.120 0.001 0.000 0.277 337 V C 0.265 176.353 176.094 -0.010 0.000 1.046 337 V CA -0.184 61.970 62.300 -0.245 0.000 0.986 337 V CB 1.025 32.785 31.823 -0.104 0.000 0.989 337 V HN 0.715 nan 8.190 nan 0.000 0.475 338 Q N 5.154 124.977 119.800 0.038 0.000 2.303 338 Q HA 0.656 4.996 4.340 0.001 0.000 0.257 338 Q C -0.911 175.165 176.000 0.126 0.000 0.941 338 Q CA -0.150 55.729 55.803 0.127 0.000 0.931 338 Q CB 1.795 30.676 28.738 0.239 0.000 1.215 338 Q HN 0.647 nan 8.270 nan 0.000 0.437 339 I N 2.101 122.682 120.570 0.018 0.000 2.785 339 I HA 0.456 4.627 4.170 0.001 0.000 0.302 339 I C -0.273 175.730 176.117 -0.190 0.000 1.069 339 I CA -0.983 60.271 61.300 -0.076 0.000 1.045 339 I CB 1.870 39.730 38.000 -0.235 0.000 1.236 339 I HN 0.656 nan 8.210 nan 0.000 0.429 340 N N 2.839 121.397 118.700 -0.236 0.000 3.102 340 N HA 0.360 5.100 4.740 0.001 0.000 0.299 340 N C 0.225 175.638 175.510 -0.162 0.000 1.482 340 N CA -0.799 52.105 53.050 -0.243 0.000 0.785 340 N CB 0.851 39.060 38.487 -0.464 0.000 1.680 340 N HN 0.273 nan 8.380 nan 0.000 0.594 341 K N -0.358 119.994 120.400 -0.080 0.000 2.001 341 K HA -0.109 4.211 4.320 0.001 0.000 0.214 341 K C 1.695 178.286 176.600 -0.015 0.000 1.050 341 K CA 1.317 57.584 56.287 -0.033 0.000 0.934 341 K CB -0.716 31.818 32.500 0.057 0.000 0.718 341 K HN 0.532 nan 8.250 nan 0.000 0.443 342 L N 1.397 122.612 121.223 -0.013 0.000 2.042 342 L HA -0.205 4.135 4.340 0.001 0.000 0.210 342 L C 2.375 179.261 176.870 0.027 0.000 1.076 342 L CA 1.610 56.469 54.840 0.030 0.000 0.749 342 L CB -0.393 41.709 42.059 0.072 0.000 0.893 342 L HN 0.196 nan 8.230 nan 0.000 0.432 343 M N -1.701 117.889 119.600 -0.017 0.000 2.073 343 M HA -0.273 4.207 4.480 0.001 0.000 0.258 343 M C 2.433 178.796 176.300 0.105 0.000 1.070 343 M CA 1.958 57.281 55.300 0.040 0.000 1.103 343 M CB -1.412 31.160 32.600 -0.046 0.000 1.321 343 M HN 0.247 nan 8.290 nan 0.000 0.405 344 Y N 0.882 121.208 120.300 0.043 0.000 2.181 344 Y HA -0.147 4.404 4.550 0.001 0.000 0.288 344 Y C 2.797 178.609 175.900 -0.147 0.000 1.146 344 Y CA 1.674 59.679 58.100 -0.157 0.000 1.164 344 Y CB -1.590 36.666 38.460 -0.340 0.000 0.982 344 Y HN 0.309 nan 8.280 nan 0.000 0.515 345 T N 0.195 114.794 114.554 0.075 0.000 2.684 345 T HA -0.183 4.168 4.350 0.001 0.000 0.267 345 T C 2.021 176.752 174.700 0.051 0.000 1.036 345 T CA 1.331 63.456 62.100 0.043 0.000 1.148 345 T CB -0.143 68.754 68.868 0.047 0.000 0.863 345 T HN 0.176 nan 8.240 nan 0.000 0.436 346 R N 0.763 121.315 120.500 0.086 0.000 2.091 346 R HA -0.006 4.334 4.340 0.001 0.000 0.238 346 R C 2.390 178.743 176.300 0.087 0.000 1.136 346 R CA 0.856 57.020 56.100 0.107 0.000 0.959 346 R CB -1.316 29.080 30.300 0.160 0.000 0.856 346 R HN 0.346 nan 8.270 nan 0.000 0.437 347 L N 1.145 122.401 121.223 0.054 0.000 1.989 347 L HA -0.134 4.207 4.340 0.001 0.000 0.211 347 L C 2.202 179.041 176.870 -0.052 0.000 1.071 347 L CA 1.659 56.467 54.840 -0.054 0.000 0.749 347 L CB -0.692 41.093 42.059 -0.456 0.000 0.890 347 L HN 0.085 nan 8.230 nan 0.000 0.431 348 L N -0.599 120.592 121.223 -0.054 0.000 2.042 348 L HA -0.227 4.113 4.340 0.001 0.000 0.210 348 L C 2.226 179.092 176.870 -0.007 0.000 1.076 348 L CA 1.519 56.337 54.840 -0.037 0.000 0.749 348 L CB -0.619 41.420 42.059 -0.033 0.000 0.893 348 L HN 0.261 nan 8.230 nan 0.000 0.432 349 K N 0.170 120.577 120.400 0.011 0.000 2.505 349 K HA 0.108 4.428 4.320 0.001 0.000 0.192 349 K C 1.060 177.676 176.600 0.028 0.000 1.025 349 K CA 0.493 56.792 56.287 0.021 0.000 1.086 349 K CB 0.106 32.624 32.500 0.030 0.000 0.840 349 K HN 0.398 nan 8.250 nan 0.000 0.514 350 G N 2.454 111.271 108.800 0.029 0.000 2.283 350 G HA2 -0.304 3.656 3.960 0.001 0.000 0.280 350 G HA3 -0.304 3.656 3.960 0.001 0.000 0.280 350 G C -0.257 174.672 174.900 0.048 0.000 1.029 350 G CA 0.618 45.740 45.100 0.037 0.000 0.840 350 G HN 0.451 nan 8.290 nan 0.000 0.505 351 E N -0.411 119.825 120.200 0.060 0.000 2.561 351 E HA 0.508 4.858 4.350 0.001 0.000 0.254 351 E C -0.395 176.255 176.600 0.083 0.000 1.213 351 E CA -0.977 55.462 56.400 0.065 0.000 0.995 351 E CB 0.668 30.410 29.700 0.070 0.000 1.233 351 E HN 0.162 nan 8.360 nan 0.000 0.556 352 D N 0.066 120.514 120.400 0.081 0.000 2.340 352 D HA 0.398 5.038 4.640 0.001 0.000 0.251 352 D C -0.478 175.898 176.300 0.127 0.000 1.080 352 D CA -0.228 53.822 54.000 0.083 0.000 0.971 352 D CB 0.924 41.751 40.800 0.046 0.000 1.137 352 D HN 0.205 nan 8.370 nan 0.000 0.475 353 I N 0.723 121.369 120.570 0.126 0.000 2.433 353 I HA 0.181 4.351 4.170 0.001 0.000 0.292 353 I C -0.164 176.025 176.117 0.120 0.000 1.001 353 I CA -0.510 60.902 61.300 0.187 0.000 1.119 353 I CB 1.971 40.085 38.000 0.190 0.000 1.289 353 I HN 0.031 nan 8.210 nan 0.000 0.438 354 T N 7.071 121.723 114.554 0.163 0.000 2.744 354 T HA 0.503 4.854 4.350 0.001 0.000 0.291 354 T C 0.049 174.630 174.700 -0.198 0.000 0.957 354 T CA -0.450 61.552 62.100 -0.163 0.000 1.002 354 T CB 0.621 69.206 68.868 -0.473 0.000 0.919 354 T HN 0.260 nan 8.240 nan 0.000 0.468 355 L N 3.506 124.565 121.223 -0.273 0.000 2.375 355 L HA 0.684 5.025 4.340 0.001 0.000 0.271 355 L C -0.745 175.875 176.870 -0.416 0.000 1.107 355 L CA -0.664 54.105 54.840 -0.119 0.000 0.806 355 L CB 0.532 42.575 42.059 -0.026 0.000 1.146 355 L HN 0.535 nan 8.230 nan 0.000 0.447 356 F N -0.333 119.712 119.950 0.159 0.000 2.615 356 F HA 0.223 4.750 4.527 0.001 0.000 0.312 356 F C 0.161 175.985 175.800 0.039 0.000 1.119 356 F CA -0.629 57.404 58.000 0.055 0.000 0.979 356 F CB 2.046 41.039 39.000 -0.011 0.000 1.266 356 F HN 0.337 nan 8.300 nan 0.000 0.444 357 S N 3.586 119.361 115.700 0.124 0.000 2.548 357 S HA 0.306 4.776 4.470 0.001 0.000 0.277 357 S C -1.711 172.942 174.600 0.089 0.000 1.315 357 S CA -1.149 57.021 58.200 -0.050 0.000 1.050 357 S CB 1.116 64.280 63.200 -0.059 0.000 0.918 357 S HN 0.371 nan 8.310 nan 0.000 0.497 358 P HA -0.166 nan 4.420 nan 0.000 0.216 358 P C 1.818 179.151 177.300 0.056 0.000 1.153 358 P CA 1.805 65.048 63.100 0.237 0.000 0.858 358 P CB -0.293 31.549 31.700 0.238 0.000 0.789 359 S N -0.545 115.143 115.700 -0.020 0.000 2.407 359 S HA -0.218 4.252 4.470 0.001 0.000 0.235 359 S C 1.422 175.961 174.600 -0.101 0.000 1.036 359 S CA 1.850 60.001 58.200 -0.082 0.000 1.013 359 S CB -1.304 61.824 63.200 -0.121 0.000 0.820 359 S HN 0.138 nan 8.310 nan 0.000 0.476 360 D N 1.082 121.416 120.400 -0.109 0.000 2.339 360 D HA 0.148 4.788 4.640 0.001 0.000 0.217 360 D C 0.416 176.499 176.300 -0.362 0.000 1.050 360 D CA 0.449 54.343 54.000 -0.177 0.000 0.856 360 D CB 0.645 41.376 40.800 -0.115 0.000 0.922 360 D HN 0.565 nan 8.370 nan 0.000 0.518 361 V N -1.013 118.655 119.914 -0.410 0.000 2.315 361 V HA 0.402 4.522 4.120 0.001 0.000 0.265 361 V C -2.905 172.949 176.094 -0.400 0.000 1.019 361 V CA -2.371 59.438 62.300 -0.818 0.000 0.824 361 V CB 0.975 32.239 31.823 -0.933 0.000 1.072 361 V HN -0.294 nan 8.190 nan 0.000 0.448 362 P HA 0.209 nan 4.420 nan 0.000 0.260 362 P C 1.332 178.700 177.300 0.113 0.000 1.172 362 P CA 2.115 65.194 63.100 -0.034 0.000 0.760 362 P CB 0.690 32.382 31.700 -0.014 0.000 0.773 363 G N 2.790 111.666 108.800 0.127 0.000 2.267 363 G HA2 -0.343 3.617 3.960 0.001 0.000 0.257 363 G HA3 -0.343 3.617 3.960 0.001 0.000 0.257 363 G C 0.922 175.948 174.900 0.210 0.000 0.998 363 G CA 0.235 45.433 45.100 0.163 0.000 0.620 363 G HN 0.528 nan 8.290 nan 0.000 0.529 364 L N -0.705 120.637 121.223 0.198 0.000 1.989 364 L HA -0.074 4.267 4.340 0.001 0.000 0.211 364 L C 2.428 179.561 176.870 0.439 0.000 1.071 364 L CA 2.900 57.831 54.840 0.151 0.000 0.749 364 L CB -0.606 41.386 42.059 -0.111 0.000 0.890 364 L HN 0.480 nan 8.230 nan 0.000 0.431 365 Y N 1.179 121.748 120.300 0.448 0.000 2.097 365 Y HA -0.346 4.205 4.550 0.001 0.000 0.282 365 Y C 2.381 178.695 175.900 0.690 0.000 1.152 365 Y CA 2.238 60.748 58.100 0.683 0.000 1.136 365 Y CB -0.232 38.573 38.460 0.574 0.000 0.975 365 Y HN 0.324 nan 8.280 nan 0.000 0.498 366 D N 0.015 120.805 120.400 0.650 0.000 2.104 366 D HA -0.210 4.430 4.640 0.001 0.000 0.194 366 D C 2.320 178.876 176.300 0.427 0.000 0.994 366 D CA 1.611 55.915 54.000 0.506 0.000 0.830 366 D CB -0.844 40.158 40.800 0.337 0.000 0.959 366 D HN 0.478 nan 8.370 nan 0.000 0.452 367 A N 0.674 123.721 122.820 0.378 0.000 1.883 367 A HA -0.225 4.095 4.320 0.001 0.000 0.217 367 A C 2.103 179.904 177.584 0.362 0.000 1.186 367 A CA 1.263 53.501 52.037 0.336 0.000 0.624 367 A CB -1.137 18.048 19.000 0.309 0.000 0.822 367 A HN 0.211 nan 8.150 nan 0.000 0.444 368 F N -0.022 120.072 119.950 0.240 0.000 2.082 368 F HA -0.282 4.245 4.527 0.001 0.000 0.298 368 F C 1.846 177.342 175.800 -0.506 0.000 1.091 368 F CA 2.040 59.855 58.000 -0.308 0.000 1.230 368 F CB -0.700 38.077 39.000 -0.371 0.000 0.983 368 F HN 0.263 nan 8.300 nan 0.000 0.485 369 F N -0.878 119.026 119.950 -0.078 0.000 2.262 369 F HA 0.176 4.704 4.527 0.001 0.000 0.292 369 F C 2.420 178.173 175.800 -0.079 0.000 1.081 369 F CA 0.929 58.818 58.000 -0.186 0.000 1.355 369 F CB -1.236 37.688 39.000 -0.127 0.000 1.069 369 F HN -0.022 nan 8.300 nan 0.000 0.506 370 A N -1.688 121.248 122.820 0.194 0.000 1.997 370 A HA 0.055 4.376 4.320 0.001 0.000 0.212 370 A C 0.043 177.682 177.584 0.093 0.000 1.178 370 A CA 0.932 53.047 52.037 0.131 0.000 0.698 370 A CB -0.048 19.037 19.000 0.142 0.000 0.842 370 A HN 0.215 nan 8.150 nan 0.000 0.458 371 D N -1.301 119.162 120.400 0.106 0.000 2.479 371 D HA 0.285 4.926 4.640 0.001 0.000 0.246 371 D C 0.418 176.785 176.300 0.112 0.000 1.336 371 D CA -0.396 53.658 54.000 0.091 0.000 0.967 371 D CB 1.062 41.919 40.800 0.095 0.000 1.275 371 D HN -0.075 nan 8.370 nan 0.000 0.577 372 Q N 1.987 121.833 119.800 0.077 0.000 2.079 372 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 372 Q C 1.299 177.385 176.000 0.143 0.000 0.974 372 Q CA 1.128 56.989 55.803 0.097 0.000 0.840 372 Q CB 0.154 28.918 28.738 0.043 0.000 0.898 372 Q HN 0.639 nan 8.270 nan 0.000 0.430 373 E N 0.814 121.069 120.200 0.093 0.000 2.048 373 E HA -0.247 4.103 4.350 0.001 0.000 0.202 373 E C 1.952 178.594 176.600 0.070 0.000 1.021 373 E CA 1.591 58.033 56.400 0.070 0.000 0.825 373 E CB -0.127 29.600 29.700 0.045 0.000 0.756 373 E HN 0.366 nan 8.360 nan 0.000 0.454 374 E N 0.522 120.767 120.200 0.076 0.000 2.077 374 E HA -0.177 4.174 4.350 0.001 0.000 0.193 374 E C 1.928 178.562 176.600 0.056 0.000 0.989 374 E CA 0.943 57.374 56.400 0.051 0.000 0.800 374 E CB -0.526 29.213 29.700 0.065 0.000 0.746 374 E HN 0.230 nan 8.360 nan 0.000 0.452 375 F N 1.345 121.302 119.950 0.012 0.000 2.069 375 F HA -0.202 4.326 4.527 0.001 0.000 0.298 375 F C 2.273 178.069 175.800 -0.008 0.000 1.113 375 F CA 2.314 60.321 58.000 0.012 0.000 1.214 375 F CB -0.455 38.576 39.000 0.053 0.000 0.978 375 F HN 0.150 nan 8.300 nan 0.000 0.474 376 E N 0.207 120.507 120.200 0.166 0.000 2.049 376 E HA -0.305 4.045 4.350 0.001 0.000 0.198 376 E C 2.511 179.075 176.600 -0.060 0.000 1.007 376 E CA 1.839 58.281 56.400 0.070 0.000 0.809 376 E CB -0.350 29.411 29.700 0.101 0.000 0.749 376 E HN 0.417 nan 8.360 nan 0.000 0.450 377 R N 0.049 120.501 120.500 -0.081 0.000 2.088 377 R HA -0.181 4.160 4.340 0.001 0.000 0.232 377 R C 2.539 178.662 176.300 -0.295 0.000 1.136 377 R CA 2.031 58.044 56.100 -0.144 0.000 0.926 377 R CB -0.514 29.719 30.300 -0.111 0.000 0.837 377 R HN 0.250 nan 8.270 nan 0.000 0.429 378 L N -0.472 120.520 121.223 -0.386 0.000 2.079 378 L HA -0.223 4.118 4.340 0.001 0.000 0.210 378 L C 2.493 178.873 176.870 -0.817 0.000 1.081 378 L CA 1.382 55.781 54.840 -0.735 0.000 0.752 378 L CB -0.784 40.936 42.059 -0.565 0.000 0.896 378 L HN 0.273 nan 8.230 nan 0.000 0.433 379 Y N 1.548 121.390 120.300 -0.763 0.000 2.070 379 Y HA -0.335 4.216 4.550 0.001 0.000 0.280 379 Y C 3.029 178.723 175.900 -0.343 0.000 1.148 379 Y CA 2.261 59.970 58.100 -0.652 0.000 1.125 379 Y CB -0.714 37.322 38.460 -0.707 0.000 0.975 379 Y HN 0.312 nan 8.280 nan 0.000 0.492 380 T N -1.333 113.117 114.554 -0.173 0.000 2.746 380 T HA -0.243 4.107 4.350 0.001 0.000 0.267 380 T C 1.933 176.507 174.700 -0.211 0.000 1.039 380 T CA 1.646 63.658 62.100 -0.146 0.000 1.142 380 T CB -0.505 68.323 68.868 -0.067 0.000 0.866 380 T HN 0.324 nan 8.240 nan 0.000 0.444 381 K N 0.300 120.508 120.400 -0.320 0.000 2.001 381 K HA -0.193 4.127 4.320 0.001 0.000 0.214 381 K C 2.101 178.554 176.600 -0.245 0.000 1.050 381 K CA 1.696 57.783 56.287 -0.333 0.000 0.934 381 K CB -0.425 31.777 32.500 -0.497 0.000 0.718 381 K HN 0.357 nan 8.250 nan 0.000 0.443 382 Y N 1.546 121.674 120.300 -0.286 0.000 2.421 382 Y HA -0.086 4.465 4.550 0.001 0.000 0.292 382 Y C 2.061 177.896 175.900 -0.109 0.000 1.136 382 Y CA 0.846 58.756 58.100 -0.318 0.000 1.255 382 Y CB -0.491 37.530 38.460 -0.731 0.000 0.991 382 Y HN 0.296 nan 8.280 nan 0.000 0.552 383 E N 0.189 120.397 120.200 0.013 0.000 2.031 383 E HA -0.228 4.123 4.350 0.001 0.000 0.193 383 E C 1.992 178.600 176.600 0.013 0.000 0.994 383 E CA 1.440 57.856 56.400 0.027 0.000 0.800 383 E CB -0.027 29.600 29.700 -0.123 0.000 0.752 383 E HN 0.240 nan 8.360 nan 0.000 0.447 384 K N 1.052 121.441 120.400 -0.017 0.000 2.057 384 K HA -0.084 4.236 4.320 0.001 0.000 0.206 384 K C 0.550 177.153 176.600 0.006 0.000 1.050 384 K CA 0.601 56.880 56.287 -0.014 0.000 0.935 384 K CB -0.200 32.282 32.500 -0.031 0.000 0.715 384 K HN -0.002 nan 8.250 nan 0.000 0.439 385 D N 1.386 121.802 120.400 0.026 0.000 2.368 385 D HA -0.067 4.573 4.640 0.001 0.000 0.268 385 D C -0.492 175.826 176.300 0.031 0.000 1.298 385 D CA 0.144 54.164 54.000 0.033 0.000 0.938 385 D CB 0.484 41.325 40.800 0.068 0.000 1.101 385 D HN 0.170 nan 8.370 nan 0.000 0.509 386 D N 1.008 121.416 120.400 0.013 0.000 2.349 386 D HA -0.076 4.564 4.640 0.001 0.000 0.224 386 D C 1.645 177.947 176.300 0.003 0.000 1.029 386 D CA 0.181 54.185 54.000 0.007 0.000 0.879 386 D CB 0.183 40.981 40.800 -0.002 0.000 0.906 386 D HN 0.208 nan 8.370 nan 0.000 0.528 387 S N 0.753 116.453 115.700 -0.001 0.000 2.383 387 S HA -0.043 4.427 4.470 0.001 0.000 0.227 387 S C 1.137 175.728 174.600 -0.014 0.000 1.026 387 S CA 0.250 58.443 58.200 -0.011 0.000 0.981 387 S CB -0.299 62.889 63.200 -0.019 0.000 0.818 387 S HN 0.295 nan 8.310 nan 0.000 0.472 388 I N 3.106 123.671 120.570 -0.007 0.000 2.581 388 I HA 0.074 4.244 4.170 0.001 0.000 0.285 388 I C 0.786 176.932 176.117 0.048 0.000 1.129 388 I CA -0.230 61.072 61.300 0.002 0.000 1.397 388 I CB 0.076 38.076 38.000 0.001 0.000 1.399 388 I HN 0.133 nan 8.210 nan 0.000 0.537 389 R N 7.996 128.512 120.500 0.026 0.000 2.537 389 R HA 0.053 4.393 4.340 0.001 0.000 0.281 389 R C -0.452 175.865 176.300 0.029 0.000 0.988 389 R CA 0.646 56.755 56.100 0.016 0.000 1.077 389 R CB 0.415 30.717 30.300 0.002 0.000 0.932 389 R HN 0.752 nan 8.270 nan 0.000 0.409 390 K N 2.325 122.683 120.400 -0.070 0.000 2.578 390 K HA 0.301 4.621 4.320 0.001 0.000 0.287 390 K C -1.540 174.926 176.600 -0.223 0.000 1.010 390 K CA -1.120 55.013 56.287 -0.258 0.000 0.889 390 K CB 1.603 33.845 32.500 -0.429 0.000 1.514 390 K HN 0.489 nan 8.250 nan 0.000 0.424 391 Q N 0.719 120.345 119.800 -0.290 0.000 2.389 391 Q HA 0.375 4.715 4.340 0.001 0.000 0.277 391 Q C -1.275 174.614 176.000 -0.186 0.000 1.082 391 Q CA -1.050 54.647 55.803 -0.177 0.000 0.810 391 Q CB 2.287 30.958 28.738 -0.112 0.000 1.374 391 Q HN 0.462 nan 8.270 nan 0.000 0.422 392 R N 1.263 121.693 120.500 -0.116 0.000 2.393 392 R HA 0.564 4.904 4.340 0.001 0.000 0.310 392 R C -0.692 175.585 176.300 -0.038 0.000 0.968 392 R CA -0.413 55.638 56.100 -0.081 0.000 0.867 392 R CB 1.429 31.692 30.300 -0.061 0.000 1.124 392 R HN 0.486 nan 8.270 nan 0.000 0.450 393 V N -0.857 119.051 119.914 -0.009 0.000 2.841 393 V HA 0.472 4.592 4.120 0.001 0.000 0.310 393 V C -0.036 176.081 176.094 0.039 0.000 1.090 393 V CA -1.363 60.944 62.300 0.011 0.000 0.930 393 V CB 2.336 34.167 31.823 0.014 0.000 1.014 393 V HN 0.528 nan 8.190 nan 0.000 0.425 394 K N 2.025 122.450 120.400 0.042 0.000 2.412 394 K HA 0.398 4.718 4.320 0.001 0.000 0.284 394 K C 1.476 178.136 176.600 0.100 0.000 1.046 394 K CA 0.528 56.852 56.287 0.062 0.000 0.999 394 K CB 1.318 33.848 32.500 0.051 0.000 0.941 394 K HN 0.981 nan 8.250 nan 0.000 0.474 395 A N 3.894 126.796 122.820 0.136 0.000 1.958 395 A HA -0.188 4.132 4.320 0.001 0.000 0.221 395 A C 1.914 179.674 177.584 0.293 0.000 1.178 395 A CA 1.920 54.097 52.037 0.234 0.000 0.642 395 A CB -0.472 18.689 19.000 0.267 0.000 0.816 395 A HN 0.572 nan 8.150 nan 0.000 0.453 396 V N -0.347 119.679 119.914 0.187 0.000 2.407 396 V HA -0.281 3.839 4.120 0.001 0.000 0.248 396 V C 2.284 178.473 176.094 0.158 0.000 1.055 396 V CA 2.267 64.668 62.300 0.169 0.000 1.049 396 V CB -1.035 30.843 31.823 0.093 0.000 0.662 396 V HN 0.640 nan 8.190 nan 0.000 0.455 397 E N 0.086 120.353 120.200 0.111 0.000 2.051 397 E HA -0.214 4.136 4.350 0.001 0.000 0.192 397 E C 2.125 178.769 176.600 0.073 0.000 0.991 397 E CA 1.327 57.772 56.400 0.075 0.000 0.799 397 E CB -0.260 29.468 29.700 0.047 0.000 0.748 397 E HN 0.404 nan 8.360 nan 0.000 0.449 398 L N 0.079 121.344 121.223 0.070 0.000 1.994 398 L HA -0.158 4.183 4.340 0.001 0.000 0.208 398 L C 1.974 178.815 176.870 -0.049 0.000 1.071 398 L CA 1.661 56.495 54.840 -0.009 0.000 0.745 398 L CB -0.492 41.535 42.059 -0.054 0.000 0.892 398 L HN 0.061 nan 8.230 nan 0.000 0.431 399 F N -0.355 119.622 119.950 0.045 0.000 2.095 399 F HA -0.257 4.270 4.527 0.001 0.000 0.298 399 F C 2.640 178.469 175.800 0.049 0.000 1.104 399 F CA 1.908 59.940 58.000 0.053 0.000 1.232 399 F CB -0.812 38.226 39.000 0.064 0.000 0.987 399 F HN 0.100 nan 8.300 nan 0.000 0.475 400 S N 0.199 116.029 115.700 0.217 0.000 2.382 400 S HA -0.187 4.284 4.470 0.001 0.000 0.228 400 S C 1.921 176.565 174.600 0.073 0.000 1.027 400 S CA 1.090 59.364 58.200 0.124 0.000 0.991 400 S CB -0.769 62.482 63.200 0.084 0.000 0.823 400 S HN 0.280 nan 8.310 nan 0.000 0.469 401 L N 1.908 123.162 121.223 0.051 0.000 2.012 401 L HA -0.040 4.301 4.340 0.001 0.000 0.210 401 L C 2.315 179.198 176.870 0.022 0.000 1.073 401 L CA 1.894 56.747 54.840 0.022 0.000 0.748 401 L CB -0.621 41.441 42.059 0.004 0.000 0.891 401 L HN 0.362 nan 8.230 nan 0.000 0.431 402 M N -1.847 117.763 119.600 0.016 0.000 2.132 402 M HA -0.218 4.263 4.480 0.001 0.000 0.263 402 M C 2.020 178.357 176.300 0.062 0.000 1.065 402 M CA 1.710 57.026 55.300 0.025 0.000 1.122 402 M CB -0.018 32.571 32.600 -0.019 0.000 1.365 402 M HN 0.303 nan 8.290 nan 0.000 0.411 403 M N 0.021 119.676 119.600 0.093 0.000 2.175 403 M HA -0.187 4.294 4.480 0.001 0.000 0.264 403 M C 2.038 178.367 176.300 0.048 0.000 1.063 403 M CA 1.640 56.997 55.300 0.095 0.000 1.119 403 M CB -1.555 31.114 32.600 0.115 0.000 1.377 403 M HN 0.452 nan 8.290 nan 0.000 0.415 404 Q N 0.294 120.113 119.800 0.032 0.000 2.014 404 Q HA -0.214 4.126 4.340 0.001 0.000 0.207 404 Q C 1.952 177.960 176.000 0.013 0.000 0.993 404 Q CA 1.614 57.422 55.803 0.010 0.000 0.850 404 Q CB 0.100 28.843 28.738 0.008 0.000 0.916 404 Q HN 0.348 nan 8.270 nan 0.000 0.417 405 E N 0.109 120.321 120.200 0.019 0.000 2.118 405 E HA -0.216 4.135 4.350 0.001 0.000 0.195 405 E C 1.873 178.490 176.600 0.028 0.000 0.992 405 E CA 1.031 57.443 56.400 0.019 0.000 0.804 405 E CB -0.287 29.424 29.700 0.019 0.000 0.741 405 E HN 0.321 nan 8.360 nan 0.000 0.458 406 R N 0.536 121.063 120.500 0.044 0.000 2.081 406 R HA -0.094 4.246 4.340 0.001 0.000 0.235 406 R C 2.200 178.544 176.300 0.073 0.000 1.131 406 R CA 1.390 57.529 56.100 0.066 0.000 0.960 406 R CB -0.169 30.195 30.300 0.108 0.000 0.856 406 R HN 0.125 nan 8.270 nan 0.000 0.436 407 A N 0.630 123.480 122.820 0.051 0.000 1.865 407 A HA -0.189 4.132 4.320 0.001 0.000 0.217 407 A C 2.222 179.824 177.584 0.030 0.000 1.191 407 A CA 2.130 54.187 52.037 0.034 0.000 0.623 407 A CB -0.731 18.257 19.000 -0.020 0.000 0.826 407 A HN 0.572 nan 8.150 nan 0.000 0.444 408 S N -0.054 115.656 115.700 0.017 0.000 2.343 408 S HA -0.184 4.287 4.470 0.001 0.000 0.219 408 S C 2.146 176.756 174.600 0.018 0.000 1.033 408 S CA 2.063 60.270 58.200 0.012 0.000 1.014 408 S CB -1.338 61.865 63.200 0.005 0.000 0.915 408 S HN 0.875 nan 8.310 nan 0.000 0.435 409 T N -1.540 113.027 114.554 0.021 0.000 2.942 409 T HA 0.350 4.700 4.350 0.001 0.000 0.265 409 T C 1.804 176.523 174.700 0.032 0.000 1.062 409 T CA 1.285 63.398 62.100 0.021 0.000 1.139 409 T CB -0.689 68.189 68.868 0.018 0.000 0.883 409 T HN 1.030 nan 8.240 nan 0.000 0.468 410 G N 1.881 110.714 108.800 0.054 0.000 2.179 410 G HA2 -0.230 3.731 3.960 0.001 0.000 0.260 410 G HA3 -0.230 3.731 3.960 0.001 0.000 0.260 410 G C 0.740 175.737 174.900 0.162 0.000 0.977 410 G CA 0.170 45.333 45.100 0.105 0.000 0.641 410 G HN 0.592 nan 8.290 nan 0.000 0.533 411 R N -0.177 120.329 120.500 0.010 0.000 2.700 411 R HA 0.402 4.742 4.340 0.001 0.000 0.399 411 R C 0.001 175.938 176.300 -0.605 0.000 1.115 411 R CA -0.307 55.645 56.100 -0.248 0.000 1.058 411 R CB 0.322 30.552 30.300 -0.117 0.000 1.389 411 R HN 0.354 nan 8.270 nan 0.000 0.582 412 I N 2.418 122.788 120.570 -0.333 0.000 2.388 412 I HA 0.264 4.434 4.170 0.001 0.000 0.281 412 I C -0.353 175.690 176.117 -0.123 0.000 1.046 412 I CA -1.525 59.629 61.300 -0.243 0.000 1.187 412 I CB -0.039 37.941 38.000 -0.032 0.000 1.351 412 I HN -0.048 nan 8.210 nan 0.000 0.472 413 Y N 5.809 126.143 120.300 0.057 0.000 2.354 413 Y HA 0.516 5.066 4.550 0.001 0.000 0.322 413 Y C 0.445 176.400 175.900 0.091 0.000 1.253 413 Y CA -1.244 56.913 58.100 0.094 0.000 1.272 413 Y CB 0.734 39.260 38.460 0.110 0.000 1.255 413 Y HN 0.292 nan 8.280 nan 0.000 0.500 414 I N 1.203 121.979 120.570 0.344 0.000 2.460 414 I HA 0.336 4.506 4.170 0.001 0.000 0.298 414 I C -0.508 175.773 176.117 0.273 0.000 0.989 414 I CA -0.619 60.843 61.300 0.268 0.000 1.173 414 I CB 1.716 39.894 38.000 0.296 0.000 1.338 414 I HN 0.551 nan 8.210 nan 0.000 0.456 415 Q N 5.011 124.953 119.800 0.236 0.000 2.290 415 Q HA 0.390 4.731 4.340 0.001 0.000 0.269 415 Q C -1.465 174.625 176.000 0.150 0.000 1.016 415 Q CA -0.734 55.195 55.803 0.210 0.000 0.754 415 Q CB 1.125 30.004 28.738 0.234 0.000 1.247 415 Q HN 0.513 nan 8.270 nan 0.000 0.451 416 N N 4.092 122.891 118.700 0.166 0.000 2.448 416 N HA 0.042 4.782 4.740 0.001 0.000 0.250 416 N C 1.079 176.586 175.510 -0.004 0.000 1.136 416 N CA 0.122 53.248 53.050 0.127 0.000 0.953 416 N CB 1.474 40.084 38.487 0.204 0.000 1.251 416 N HN 0.567 nan 8.380 nan 0.000 0.502 417 V N -0.136 119.685 119.914 -0.155 0.000 2.548 417 V HA -0.178 3.943 4.120 0.001 0.000 0.249 417 V C 1.618 177.598 176.094 -0.190 0.000 1.055 417 V CA 1.380 63.550 62.300 -0.215 0.000 1.065 417 V CB -0.407 31.092 31.823 -0.541 0.000 0.681 417 V HN 0.391 nan 8.190 nan 0.000 0.462 418 D N 0.189 120.445 120.400 -0.240 0.000 2.097 418 D HA -0.254 4.387 4.640 0.001 0.000 0.195 418 D C 1.957 178.275 176.300 0.030 0.000 0.989 418 D CA 2.137 56.066 54.000 -0.118 0.000 0.827 418 D CB -0.926 39.816 40.800 -0.096 0.000 0.966 418 D HN 0.514 nan 8.370 nan 0.000 0.456 419 H N 0.339 119.417 119.070 0.014 0.000 2.352 419 H HA -0.026 4.530 4.556 0.001 0.000 0.299 419 H C 2.366 177.710 175.328 0.028 0.000 1.097 419 H CA 1.035 57.079 56.048 -0.007 0.000 1.311 419 H CB -1.041 28.688 29.762 -0.055 0.000 1.377 419 H HN 0.316 nan 8.280 nan 0.000 0.504 420 C N 0.873 120.253 119.300 0.133 0.000 2.430 420 C HA -0.009 4.452 4.460 0.001 0.000 0.288 420 C C 2.203 177.239 174.990 0.076 0.000 1.448 420 C CA 0.332 59.401 59.018 0.085 0.000 1.784 420 C CB -0.640 27.131 27.740 0.052 0.000 1.776 420 C HN 0.559 nan 8.230 nan 0.000 0.547 421 N N 0.115 118.860 118.700 0.076 0.000 2.463 421 N HA -0.048 4.693 4.740 0.001 0.000 0.183 421 N C 1.982 177.535 175.510 0.070 0.000 1.064 421 N CA 1.517 54.611 53.050 0.072 0.000 0.879 421 N CB -0.224 38.301 38.487 0.065 0.000 1.148 421 N HN 0.649 nan 8.380 nan 0.000 0.451 422 T N -2.012 112.590 114.554 0.080 0.000 3.023 422 T HA -0.074 4.276 4.350 0.001 0.000 0.266 422 T C 0.699 175.454 174.700 0.092 0.000 1.093 422 T CA 1.019 63.159 62.100 0.067 0.000 1.129 422 T CB -0.165 68.740 68.868 0.062 0.000 0.899 422 T HN 0.073 nan 8.240 nan 0.000 0.491 423 H N 1.273 120.332 119.070 -0.019 0.000 2.317 423 H HA 0.642 5.199 4.556 0.001 0.000 0.231 423 H C -0.576 174.739 175.328 -0.021 0.000 1.442 423 H CA -0.778 55.239 56.048 -0.051 0.000 1.336 423 H CB 0.096 29.810 29.762 -0.080 0.000 1.533 423 H HN 0.382 nan 8.280 nan 0.000 0.522 424 S N 1.921 117.567 115.700 -0.091 0.000 2.627 424 S HA 0.451 4.921 4.470 0.001 0.000 0.283 424 S C -2.290 172.213 174.600 -0.161 0.000 1.127 424 S CA -1.457 56.686 58.200 -0.096 0.000 0.863 424 S CB 1.976 65.224 63.200 0.080 0.000 1.121 424 S HN 0.167 nan 8.310 nan 0.000 0.479 425 P HA 0.206 nan 4.420 nan 0.000 0.229 425 P C -0.287 176.710 177.300 -0.505 0.000 1.160 425 P CA 0.654 63.514 63.100 -0.399 0.000 0.777 425 P CB -0.182 31.313 31.700 -0.343 0.000 0.814 426 F N 0.077 120.009 119.950 -0.030 0.000 2.440 426 F HA 0.332 4.860 4.527 0.001 0.000 0.328 426 F C 1.017 176.794 175.800 -0.037 0.000 1.070 426 F CA -1.090 56.897 58.000 -0.022 0.000 1.011 426 F CB 0.376 39.376 39.000 -0.001 0.000 1.226 426 F HN -0.310 nan 8.300 nan 0.000 0.491 427 D N 3.164 123.673 120.400 0.182 0.000 2.325 427 D HA 0.182 4.822 4.640 0.001 0.000 0.251 427 D C -1.811 174.548 176.300 0.098 0.000 1.196 427 D CA -2.224 51.830 54.000 0.090 0.000 0.866 427 D CB 1.499 42.328 40.800 0.048 0.000 1.101 427 D HN 0.089 nan 8.370 nan 0.000 0.476 428 P HA -0.062 nan 4.420 nan 0.000 0.220 428 P C 0.817 178.152 177.300 0.058 0.000 1.148 428 P CA 0.794 63.935 63.100 0.070 0.000 0.803 428 P CB 0.207 31.950 31.700 0.071 0.000 0.782 429 A N -1.151 121.698 122.820 0.049 0.000 2.067 429 A HA -0.007 4.313 4.320 0.001 0.000 0.217 429 A C 1.948 179.547 177.584 0.025 0.000 1.156 429 A CA 1.021 53.083 52.037 0.041 0.000 0.683 429 A CB -1.063 17.957 19.000 0.034 0.000 0.808 429 A HN 0.198 nan 8.150 nan 0.000 0.455 430 I N -2.753 117.829 120.570 0.020 0.000 4.032 430 I HA 0.325 4.495 4.170 0.001 0.000 0.313 430 I C 0.876 176.979 176.117 -0.023 0.000 1.272 430 I CA 0.812 62.109 61.300 -0.006 0.000 1.307 430 I CB 0.732 38.727 38.000 -0.008 0.000 1.155 430 I HN 0.160 nan 8.210 nan 0.000 0.431 431 A N 2.239 125.056 122.820 -0.005 0.000 3.200 431 A HA 0.433 4.753 4.320 0.001 0.000 0.274 431 A C -2.802 174.714 177.584 -0.114 0.000 1.220 431 A CA -0.742 51.252 52.037 -0.073 0.000 0.904 431 A CB -0.249 18.723 19.000 -0.046 0.000 1.415 431 A HN -0.124 nan 8.150 nan 0.000 0.630 432 P HA 0.324 nan 4.420 nan 0.000 0.274 432 P C -0.228 176.972 177.300 -0.166 0.000 1.246 432 P CA -0.009 63.053 63.100 -0.063 0.000 0.795 432 P CB 1.394 33.084 31.700 -0.017 0.000 1.006 433 V N 3.616 123.462 119.914 -0.113 0.000 2.328 433 V HA 0.294 4.414 4.120 0.001 0.000 0.278 433 V C 1.262 177.242 176.094 -0.190 0.000 1.021 433 V CA -0.173 62.028 62.300 -0.165 0.000 0.838 433 V CB 0.519 32.290 31.823 -0.087 0.000 0.999 433 V HN 0.500 nan 8.190 nan 0.000 0.447 434 R N 4.541 124.819 120.500 -0.370 0.000 2.700 434 R HA 0.353 4.693 4.340 0.001 0.000 0.399 434 R C -0.029 176.028 176.300 -0.405 0.000 1.115 434 R CA -0.173 55.519 56.100 -0.679 0.000 1.058 434 R CB 0.740 30.348 30.300 -1.154 0.000 1.389 434 R HN 0.895 nan 8.270 nan 0.000 0.582 435 Q N -1.675 117.906 119.800 -0.364 0.000 3.044 435 Q HA 0.227 4.568 4.340 0.001 0.000 0.299 435 Q C -1.795 173.766 176.000 -0.732 0.000 0.896 435 Q CA -0.596 54.808 55.803 -0.665 0.000 0.802 435 Q CB 1.002 29.390 28.738 -0.584 0.000 1.649 435 Q HN -0.006 nan 8.270 nan 0.000 0.483 436 S N 0.152 115.085 115.700 -1.279 0.000 2.786 436 S HA 0.659 5.130 4.470 0.001 0.000 0.302 436 S C -0.908 173.469 174.600 -0.373 0.000 1.080 436 S CA -0.028 57.835 58.200 -0.562 0.000 0.925 436 S CB 0.987 64.067 63.200 -0.200 0.000 1.325 436 S HN 0.816 nan 8.310 nan 0.000 0.576 437 N N 0.375 119.027 118.700 -0.079 0.000 2.741 437 N HA 0.226 4.967 4.740 0.001 0.000 0.310 437 N C 0.955 176.538 175.510 0.121 0.000 1.295 437 N CA -0.645 52.411 53.050 0.009 0.000 0.893 437 N CB -0.345 38.107 38.487 -0.058 0.000 1.247 437 N HN 0.489 nan 8.380 nan 0.000 0.596 438 L N 0.616 121.876 121.223 0.062 0.000 1.991 438 L HA -0.162 4.178 4.340 0.001 0.000 0.221 438 L C 1.500 178.337 176.870 -0.055 0.000 1.079 438 L CA 1.971 56.842 54.840 0.052 0.000 0.778 438 L CB -0.792 41.284 42.059 0.027 0.000 0.893 438 L HN 0.740 nan 8.230 nan 0.000 0.437 439 C N 0.486 119.627 119.300 -0.265 0.000 2.559 439 C HA 0.335 4.796 4.460 0.001 0.000 0.300 439 C C 1.060 175.438 174.990 -1.019 0.000 1.288 439 C CA -0.995 57.511 59.018 -0.854 0.000 1.699 439 C CB -1.468 25.879 27.740 -0.655 0.000 1.819 439 C HN 0.571 nan 8.230 nan 0.000 0.600 440 L N 2.547 123.493 121.223 -0.461 0.000 3.737 440 L HA -0.204 4.136 4.340 0.001 0.000 0.418 440 L C 1.110 177.839 176.870 -0.235 0.000 1.216 440 L CA 1.687 56.372 54.840 -0.258 0.000 0.915 440 L CB -1.753 40.137 42.059 -0.282 0.000 1.834 440 L HN 0.640 nan 8.230 nan 0.000 0.943 441 D N -1.815 118.452 120.400 -0.222 0.000 2.423 441 D HA 0.097 4.738 4.640 0.001 0.000 0.212 441 D C 0.897 177.145 176.300 -0.087 0.000 1.060 441 D CA -0.117 53.798 54.000 -0.142 0.000 0.872 441 D CB 0.717 41.429 40.800 -0.147 0.000 1.012 441 D HN 0.234 nan 8.370 nan 0.000 0.503 442 I N 1.591 122.106 120.570 -0.092 0.000 2.428 442 I HA 0.525 4.695 4.170 0.001 0.000 0.296 442 I C -0.014 176.056 176.117 -0.078 0.000 0.985 442 I CA -1.243 60.016 61.300 -0.068 0.000 1.260 442 I CB 1.152 39.109 38.000 -0.072 0.000 1.389 442 I HN 0.019 nan 8.210 nan 0.000 0.484 443 A N 8.095 130.891 122.820 -0.041 0.000 2.569 443 A HA 0.770 5.091 4.320 0.001 0.000 0.282 443 A C -0.951 176.618 177.584 -0.025 0.000 1.165 443 A CA -0.391 51.613 52.037 -0.056 0.000 0.747 443 A CB 0.685 19.669 19.000 -0.027 0.000 1.215 443 A HN 0.599 nan 8.150 nan 0.000 0.431 444 L N 1.555 122.708 121.223 -0.116 0.000 2.359 444 L HA 0.618 4.959 4.340 0.001 0.000 0.256 444 L C -2.667 174.009 176.870 -0.323 0.000 1.026 444 L CA -2.631 52.087 54.840 -0.202 0.000 0.828 444 L CB 2.633 44.630 42.059 -0.103 0.000 1.406 444 L HN 0.312 nan 8.230 nan 0.000 0.413 445 P HA 0.222 nan 4.420 nan 0.000 0.271 445 P C -1.029 176.148 177.300 -0.206 0.000 1.216 445 P CA -0.179 62.685 63.100 -0.393 0.000 0.776 445 P CB 0.848 32.250 31.700 -0.496 0.000 0.881 446 T N -0.476 113.980 114.554 -0.163 0.000 2.916 446 T HA 0.672 5.023 4.350 0.001 0.000 0.305 446 T C -0.909 173.746 174.700 -0.075 0.000 1.119 446 T CA -1.049 60.991 62.100 -0.101 0.000 1.008 446 T CB 1.646 70.445 68.868 -0.114 0.000 1.129 446 T HN 0.136 nan 8.240 nan 0.000 0.480 447 K N 2.117 122.495 120.400 -0.037 0.000 2.427 447 K HA 0.610 4.931 4.320 0.001 0.000 0.252 447 K C -2.914 173.679 176.600 -0.012 0.000 0.931 447 K CA -2.370 53.901 56.287 -0.027 0.000 0.793 447 K CB 2.176 34.663 32.500 -0.022 0.000 1.211 447 K HN 0.361 nan 8.250 nan 0.000 0.426 448 P HA -0.009 nan 4.420 nan 0.000 0.267 448 P C -0.824 176.483 177.300 0.012 0.000 1.200 448 P CA -0.299 62.801 63.100 -0.000 0.000 0.772 448 P CB 0.447 32.149 31.700 0.003 0.000 0.855 449 L N 3.042 124.277 121.223 0.021 0.000 2.375 449 L HA 0.333 4.674 4.340 0.001 0.000 0.268 449 L C 1.596 178.485 176.870 0.033 0.000 1.058 449 L CA 0.383 55.241 54.840 0.029 0.000 0.803 449 L CB 0.209 42.291 42.059 0.038 0.000 1.212 449 L HN 0.275 nan 8.230 nan 0.000 0.451 450 N N 0.071 118.790 118.700 0.032 0.000 2.250 450 N HA 0.076 4.817 4.740 0.001 0.000 0.190 450 N C -0.731 174.801 175.510 0.037 0.000 1.116 450 N CA 0.300 53.370 53.050 0.033 0.000 0.881 450 N CB 0.708 39.211 38.487 0.027 0.000 1.006 450 N HN 0.696 nan 8.380 nan 0.000 0.491 451 D N -1.252 119.170 120.400 0.038 0.000 2.648 451 D HA -0.027 4.614 4.640 0.001 0.000 0.244 451 D C 0.549 176.873 176.300 0.040 0.000 1.244 451 D CA -0.463 53.561 54.000 0.039 0.000 0.772 451 D CB 1.435 42.255 40.800 0.033 0.000 1.379 451 D HN -0.240 nan 8.370 nan 0.000 0.428 452 V N 2.371 122.309 119.914 0.040 0.000 2.392 452 V HA -0.162 3.958 4.120 0.001 0.000 0.249 452 V C 1.203 177.317 176.094 0.033 0.000 1.059 452 V CA 1.861 64.184 62.300 0.038 0.000 1.051 452 V CB -0.502 31.340 31.823 0.032 0.000 0.658 452 V HN 0.497 nan 8.190 nan 0.000 0.455 453 N N 0.570 119.286 118.700 0.028 0.000 2.313 453 N HA 0.048 4.789 4.740 0.001 0.000 0.207 453 N C 0.148 175.675 175.510 0.029 0.000 1.141 453 N CA 0.079 53.144 53.050 0.025 0.000 0.830 453 N CB -0.305 38.194 38.487 0.019 0.000 1.008 453 N HN 0.558 nan 8.380 nan 0.000 0.481 454 D N 1.599 122.018 120.400 0.032 0.000 2.434 454 D HA -0.058 4.583 4.640 0.001 0.000 0.252 454 D C 0.832 177.153 176.300 0.035 0.000 1.185 454 D CA 0.392 54.411 54.000 0.031 0.000 0.886 454 D CB 0.897 41.716 40.800 0.031 0.000 1.148 454 D HN 0.066 nan 8.370 nan 0.000 0.483 455 E N 2.930 123.150 120.200 0.033 0.000 2.481 455 E HA -0.045 4.305 4.350 0.001 0.000 0.195 455 E C 0.443 177.071 176.600 0.047 0.000 1.047 455 E CA 0.300 56.724 56.400 0.040 0.000 0.867 455 E CB 0.032 29.753 29.700 0.036 0.000 0.858 455 E HN 0.546 nan 8.360 nan 0.000 0.513 456 N N 0.102 118.823 118.700 0.035 0.000 2.230 456 N HA 0.084 4.824 4.740 0.001 0.000 0.202 456 N C 0.436 175.961 175.510 0.024 0.000 1.119 456 N CA -0.112 52.952 53.050 0.024 0.000 0.851 456 N CB 1.068 39.559 38.487 0.007 0.000 0.990 456 N HN -0.021 nan 8.380 nan 0.000 0.497 457 G N 0.078 108.901 108.800 0.038 0.000 2.502 457 G HA2 0.390 4.351 3.960 0.001 0.000 0.305 457 G HA3 0.390 4.351 3.960 0.001 0.000 0.305 457 G C -0.901 174.033 174.900 0.057 0.000 1.190 457 G CA -0.248 44.873 45.100 0.036 0.000 0.933 457 G HN 0.106 nan 8.290 nan 0.000 0.503 458 E N -0.372 119.857 120.200 0.048 0.000 2.263 458 E HA 0.450 4.801 4.350 0.001 0.000 0.268 458 E C -1.169 175.451 176.600 0.033 0.000 0.884 458 E CA -0.568 55.873 56.400 0.067 0.000 0.766 458 E CB 1.841 31.594 29.700 0.089 0.000 1.196 458 E HN 0.320 nan 8.360 nan 0.000 0.416 459 I N 3.113 123.707 120.570 0.040 0.000 2.378 459 I HA 0.462 4.632 4.170 0.001 0.000 0.291 459 I C 0.024 176.138 176.117 -0.004 0.000 0.992 459 I CA -0.634 60.675 61.300 0.015 0.000 1.154 459 I CB 1.765 39.800 38.000 0.059 0.000 1.315 459 I HN 0.557 nan 8.210 nan 0.000 0.448 460 A N 7.544 130.337 122.820 -0.045 0.000 2.316 460 A HA 0.778 5.099 4.320 0.001 0.000 0.284 460 A C -0.581 176.966 177.584 -0.060 0.000 1.115 460 A CA -0.256 51.751 52.037 -0.050 0.000 0.812 460 A CB 0.608 19.561 19.000 -0.079 0.000 1.064 460 A HN 0.697 nan 8.150 nan 0.000 0.489 461 L N 0.350 121.557 121.223 -0.027 0.000 2.301 461 L HA 0.391 4.732 4.340 0.001 0.000 0.264 461 L C -0.824 176.032 176.870 -0.023 0.000 1.016 461 L CA -0.824 53.997 54.840 -0.032 0.000 0.821 461 L CB 2.175 44.261 42.059 0.045 0.000 1.346 461 L HN 0.680 nan 8.230 nan 0.000 0.429 462 c N 0.889 119.470 118.600 -0.032 0.000 2.227 462 c HA 0.361 4.931 4.570 0.001 0.000 0.333 462 c C 0.444 174.537 174.090 0.005 0.000 1.145 462 c CA -0.429 55.889 56.329 -0.019 0.000 1.643 462 c CB -0.367 42.125 42.510 -0.030 0.000 2.185 462 c HN 0.571 nan 8.230 nan 0.000 0.497 463 T N 5.805 120.366 114.554 0.011 0.000 2.947 463 T HA 0.462 4.812 4.350 0.001 0.000 0.337 463 T C -0.067 174.630 174.700 -0.005 0.000 1.139 463 T CA -0.057 62.051 62.100 0.013 0.000 0.992 463 T CB 0.085 68.966 68.868 0.022 0.000 1.043 463 T HN 0.415 nan 8.240 nan 0.000 0.498 464 L N 1.694 122.912 121.223 -0.008 0.000 2.313 464 L HA 0.908 5.249 4.340 0.001 0.000 0.268 464 L C 0.362 177.211 176.870 -0.035 0.000 1.010 464 L CA -0.852 53.975 54.840 -0.022 0.000 0.814 464 L CB 1.955 44.008 42.059 -0.010 0.000 1.304 464 L HN 0.532 nan 8.230 nan 0.000 0.441 465 S N -0.304 115.354 115.700 -0.070 0.000 2.627 465 S HA 0.834 5.305 4.470 0.001 0.000 0.268 465 S C -2.032 172.450 174.600 -0.197 0.000 1.130 465 S CA -0.098 58.037 58.200 -0.108 0.000 0.819 465 S CB 1.894 65.018 63.200 -0.126 0.000 1.100 465 S HN 0.910 nan 8.310 nan 0.000 0.465 466 A N 1.276 123.955 122.820 -0.236 0.000 2.589 466 A HA 0.750 5.071 4.320 0.001 0.000 0.296 466 A C -1.910 175.516 177.584 -0.263 0.000 1.062 466 A CA -0.568 51.302 52.037 -0.278 0.000 0.686 466 A CB 0.615 19.567 19.000 -0.081 0.000 1.282 466 A HN 0.522 nan 8.150 nan 0.000 0.404 467 F N 1.743 121.683 119.950 -0.016 0.000 2.427 467 F HA 0.334 4.861 4.527 0.001 0.000 0.352 467 F C 1.023 176.813 175.800 -0.017 0.000 1.100 467 F CA -0.561 57.415 58.000 -0.040 0.000 1.191 467 F CB 0.918 39.866 39.000 -0.087 0.000 1.128 467 F HN 0.594 nan 8.300 nan 0.000 0.533 468 N N 4.151 122.967 118.700 0.192 0.000 2.448 468 N HA 0.088 4.828 4.740 0.001 0.000 0.250 468 N C 0.756 176.341 175.510 0.125 0.000 1.136 468 N CA 0.136 53.276 53.050 0.150 0.000 0.953 468 N CB 0.277 38.851 38.487 0.145 0.000 1.251 468 N HN 0.673 nan 8.380 nan 0.000 0.502 469 L N 1.824 123.097 121.223 0.084 0.000 2.447 469 L HA -0.041 4.300 4.340 0.001 0.000 0.225 469 L C 2.065 179.057 176.870 0.202 0.000 1.148 469 L CA 1.080 55.903 54.840 -0.029 0.000 0.808 469 L CB -0.184 41.661 42.059 -0.356 0.000 0.928 469 L HN 0.535 nan 8.230 nan 0.000 0.448 470 G N -0.727 108.259 108.800 0.310 0.000 2.551 470 G HA2 0.060 4.021 3.960 0.001 0.000 0.216 470 G HA3 0.060 4.021 3.960 0.001 0.000 0.216 470 G C 1.432 176.519 174.900 0.312 0.000 1.137 470 G CA 0.579 45.958 45.100 0.466 0.000 0.798 470 G HN 0.425 nan 8.290 nan 0.000 0.536 471 A N 0.122 123.059 122.820 0.196 0.000 2.348 471 A HA 0.570 4.890 4.320 0.001 0.000 0.224 471 A C 0.855 178.489 177.584 0.083 0.000 1.227 471 A CA -0.335 51.783 52.037 0.135 0.000 0.885 471 A CB -0.286 18.784 19.000 0.117 0.000 0.933 471 A HN 0.496 nan 8.150 nan 0.000 0.506 472 I N -4.340 116.282 120.570 0.087 0.000 2.577 472 I HA 0.460 4.631 4.170 0.001 0.000 0.305 472 I C 0.401 176.563 176.117 0.074 0.000 0.986 472 I CA -0.942 60.380 61.300 0.037 0.000 1.189 472 I CB 1.041 39.034 38.000 -0.012 0.000 1.355 472 I HN -0.128 nan 8.210 nan 0.000 0.476 473 N N 2.921 121.644 118.700 0.038 0.000 2.368 473 N HA 0.009 4.749 4.740 0.001 0.000 0.178 473 N C -0.197 175.349 175.510 0.060 0.000 1.021 473 N CA 0.695 53.771 53.050 0.044 0.000 0.875 473 N CB -0.137 38.354 38.487 0.007 0.000 1.020 473 N HN 0.882 nan 8.380 nan 0.000 0.433 474 N N -1.190 117.532 118.700 0.036 0.000 2.455 474 N HA 0.282 5.022 4.740 0.001 0.000 0.278 474 N C 0.190 175.722 175.510 0.037 0.000 1.291 474 N CA -0.657 52.424 53.050 0.053 0.000 0.780 474 N CB 1.356 39.861 38.487 0.029 0.000 1.520 474 N HN -0.258 nan 8.380 nan 0.000 0.486 475 L N -0.468 120.795 121.223 0.066 0.000 2.362 475 L HA -0.037 4.303 4.340 0.001 0.000 0.219 475 L C 0.598 177.520 176.870 0.086 0.000 1.134 475 L CA 0.810 55.687 54.840 0.061 0.000 0.807 475 L CB -0.401 41.731 42.059 0.122 0.000 0.927 475 L HN 0.676 nan 8.230 nan 0.000 0.447 476 D N 0.296 120.741 120.400 0.075 0.000 2.363 476 D HA -0.100 4.540 4.640 0.001 0.000 0.220 476 D C 1.550 177.743 176.300 -0.179 0.000 0.994 476 D CA 0.618 54.623 54.000 0.007 0.000 0.890 476 D CB 0.135 40.973 40.800 0.063 0.000 0.906 476 D HN 0.508 nan 8.370 nan 0.000 0.530 477 E N 0.097 120.204 120.200 -0.156 0.000 2.481 477 E HA 0.029 4.379 4.350 0.001 0.000 0.195 477 E C 1.838 178.257 176.600 -0.302 0.000 1.047 477 E CA -0.012 56.270 56.400 -0.196 0.000 0.867 477 E CB 0.230 29.851 29.700 -0.133 0.000 0.858 477 E HN 0.301 nan 8.360 nan 0.000 0.513 478 L N 0.938 121.928 121.223 -0.388 0.000 2.395 478 L HA -0.085 4.256 4.340 0.001 0.000 0.218 478 L C 2.542 179.019 176.870 -0.654 0.000 1.130 478 L CA 0.705 55.232 54.840 -0.522 0.000 0.826 478 L CB -0.099 41.718 42.059 -0.403 0.000 0.941 478 L HN 0.171 nan 8.230 nan 0.000 0.451 479 E N 0.624 120.201 120.200 -1.039 0.000 2.072 479 E HA -0.291 4.059 4.350 0.001 0.000 0.191 479 E C 1.994 178.369 176.600 -0.376 0.000 0.985 479 E CA 1.340 57.171 56.400 -0.948 0.000 0.801 479 E CB 0.185 29.247 29.700 -1.063 0.000 0.750 479 E HN 0.323 nan 8.360 nan 0.000 0.452 480 E N 0.711 120.731 120.200 -0.300 0.000 2.072 480 E HA -0.134 4.217 4.350 0.001 0.000 0.191 480 E C 2.082 178.636 176.600 -0.077 0.000 0.985 480 E CA 1.214 57.524 56.400 -0.151 0.000 0.801 480 E CB -0.287 29.329 29.700 -0.141 0.000 0.750 480 E HN 0.389 nan 8.360 nan 0.000 0.452 481 L N -0.103 121.051 121.223 -0.115 0.000 2.093 481 L HA -0.082 4.259 4.340 0.001 0.000 0.208 481 L C 2.534 179.531 176.870 0.211 0.000 1.085 481 L CA 1.003 55.862 54.840 0.032 0.000 0.755 481 L CB -0.649 41.393 42.059 -0.029 0.000 0.904 481 L HN 0.215 nan 8.230 nan 0.000 0.435 482 A N 0.678 123.542 122.820 0.074 0.000 1.858 482 A HA -0.206 4.114 4.320 0.001 0.000 0.216 482 A C 2.214 179.896 177.584 0.163 0.000 1.190 482 A CA 1.577 53.753 52.037 0.230 0.000 0.617 482 A CB -0.704 18.355 19.000 0.097 0.000 0.827 482 A HN 0.302 nan 8.150 nan 0.000 0.443 483 I N -0.738 119.884 120.570 0.086 0.000 2.074 483 I HA -0.321 3.849 4.170 0.001 0.000 0.238 483 I C 2.347 178.569 176.117 0.174 0.000 1.037 483 I CA 1.429 62.794 61.300 0.109 0.000 1.301 483 I CB -0.461 37.603 38.000 0.107 0.000 1.016 483 I HN 0.238 nan 8.210 nan 0.000 0.400 484 L N 0.572 121.925 121.223 0.217 0.000 2.042 484 L HA -0.202 4.138 4.340 0.001 0.000 0.210 484 L C 2.649 179.759 176.870 0.401 0.000 1.076 484 L CA 2.228 57.278 54.840 0.350 0.000 0.749 484 L CB -1.608 40.647 42.059 0.327 0.000 0.893 484 L HN 0.280 nan 8.230 nan 0.000 0.432 485 A N -0.917 122.079 122.820 0.293 0.000 1.841 485 A HA -0.145 4.176 4.320 0.001 0.000 0.214 485 A C 2.377 180.025 177.584 0.108 0.000 1.195 485 A CA 1.929 54.086 52.037 0.201 0.000 0.611 485 A CB -1.008 18.011 19.000 0.031 0.000 0.835 485 A HN 0.185 nan 8.150 nan 0.000 0.443 486 V N 0.119 120.085 119.914 0.086 0.000 2.252 486 V HA -0.349 3.772 4.120 0.001 0.000 0.249 486 V C 2.668 178.752 176.094 -0.016 0.000 1.056 486 V CA 2.555 64.870 62.300 0.025 0.000 1.022 486 V CB -0.973 30.866 31.823 0.027 0.000 0.641 486 V HN 0.529 nan 8.190 nan 0.000 0.445 487 R N 0.043 120.547 120.500 0.006 0.000 2.083 487 R HA -0.131 4.209 4.340 0.001 0.000 0.237 487 R C 2.478 178.594 176.300 -0.307 0.000 1.137 487 R CA 1.640 57.694 56.100 -0.077 0.000 0.951 487 R CB -0.783 29.520 30.300 0.005 0.000 0.851 487 R HN 0.551 nan 8.270 nan 0.000 0.434 488 A N 1.008 123.634 122.820 -0.324 0.000 1.883 488 A HA -0.169 4.152 4.320 0.001 0.000 0.217 488 A C 2.176 179.525 177.584 -0.392 0.000 1.186 488 A CA 1.323 52.985 52.037 -0.625 0.000 0.624 488 A CB -0.665 18.031 19.000 -0.507 0.000 0.822 488 A HN 0.202 nan 8.150 nan 0.000 0.444 489 L N -0.892 120.219 121.223 -0.187 0.000 1.994 489 L HA -0.232 4.109 4.340 0.001 0.000 0.208 489 L C 2.481 179.276 176.870 -0.125 0.000 1.071 489 L CA 1.993 56.756 54.840 -0.127 0.000 0.745 489 L CB -0.723 41.297 42.059 -0.064 0.000 0.892 489 L HN 0.466 nan 8.230 nan 0.000 0.431 490 D N -0.238 120.092 120.400 -0.118 0.000 2.133 490 D HA -0.231 4.409 4.640 0.001 0.000 0.195 490 D C 2.100 178.334 176.300 -0.110 0.000 0.997 490 D CA 1.504 55.448 54.000 -0.093 0.000 0.840 490 D CB 0.114 40.863 40.800 -0.085 0.000 0.947 490 D HN 0.322 nan 8.370 nan 0.000 0.452 491 A N -0.073 122.625 122.820 -0.203 0.000 1.877 491 A HA -0.134 4.187 4.320 0.001 0.000 0.216 491 A C 2.163 179.669 177.584 -0.130 0.000 1.186 491 A CA 1.492 53.403 52.037 -0.210 0.000 0.620 491 A CB -1.005 17.730 19.000 -0.441 0.000 0.822 491 A HN 0.397 nan 8.150 nan 0.000 0.443 492 L N -0.034 121.084 121.223 -0.176 0.000 2.043 492 L HA -0.179 4.162 4.340 0.001 0.000 0.212 492 L C 2.284 179.195 176.870 0.068 0.000 1.075 492 L CA 1.790 56.580 54.840 -0.084 0.000 0.752 492 L CB -0.547 41.422 42.059 -0.151 0.000 0.891 492 L HN 0.429 nan 8.230 nan 0.000 0.432 493 L N -0.489 120.767 121.223 0.054 0.000 2.051 493 L HA -0.295 4.045 4.340 0.001 0.000 0.214 493 L C 2.177 179.167 176.870 0.200 0.000 1.076 493 L CA 1.788 56.712 54.840 0.140 0.000 0.758 493 L CB -0.859 41.246 42.059 0.077 0.000 0.890 493 L HN 0.384 nan 8.230 nan 0.000 0.433 494 D N -1.794 118.685 120.400 0.130 0.000 2.213 494 D HA -0.159 4.482 4.640 0.001 0.000 0.205 494 D C 1.899 178.308 176.300 0.182 0.000 0.961 494 D CA 0.774 54.858 54.000 0.140 0.000 0.853 494 D CB -0.111 40.733 40.800 0.074 0.000 0.967 494 D HN 0.275 nan 8.370 nan 0.000 0.496 495 Y N 2.236 122.559 120.300 0.037 0.000 2.145 495 Y HA -0.152 4.399 4.550 0.001 0.000 0.286 495 Y C 1.256 177.215 175.900 0.098 0.000 1.145 495 Y CA 1.100 59.228 58.100 0.047 0.000 1.148 495 Y CB -0.115 38.341 38.460 -0.008 0.000 0.981 495 Y HN -0.002 nan 8.280 nan 0.000 0.507 496 Q N 0.705 120.624 119.800 0.199 0.000 2.396 496 Q HA 0.218 4.558 4.340 0.001 0.000 0.221 496 Q C -1.001 174.885 176.000 -0.190 0.000 1.025 496 Q CA -0.640 55.197 55.803 0.057 0.000 0.946 496 Q CB 0.728 29.532 28.738 0.109 0.000 1.224 496 Q HN 0.125 nan 8.270 nan 0.000 0.539 497 D N -0.090 120.130 120.400 -0.301 0.000 2.217 497 D HA 0.301 4.941 4.640 0.001 0.000 0.248 497 D C -1.336 174.682 176.300 -0.470 0.000 1.008 497 D CA -0.275 53.566 54.000 -0.265 0.000 0.914 497 D CB 0.771 41.461 40.800 -0.185 0.000 1.182 497 D HN 0.403 nan 8.370 nan 0.000 0.451 498 Y N 1.041 121.330 120.300 -0.017 0.000 2.345 498 Y HA 0.241 4.791 4.550 0.001 0.000 0.331 498 Y C -1.192 174.674 175.900 -0.056 0.000 0.959 498 Y CA -1.599 56.502 58.100 0.001 0.000 1.204 498 Y CB 1.487 39.964 38.460 0.028 0.000 1.135 498 Y HN 0.235 nan 8.280 nan 0.000 0.477 499 P HA -0.118 nan 4.420 nan 0.000 0.216 499 P C -0.018 177.217 177.300 -0.109 0.000 1.150 499 P CA 1.564 64.559 63.100 -0.175 0.000 0.837 499 P CB 0.750 32.178 31.700 -0.453 0.000 0.786 500 I N -0.843 119.711 120.570 -0.026 0.000 2.465 500 I HA 0.215 4.386 4.170 0.001 0.000 0.291 500 I C -1.755 174.413 176.117 0.084 0.000 1.014 500 I CA -2.834 58.484 61.300 0.030 0.000 1.093 500 I CB 1.532 39.577 38.000 0.076 0.000 1.267 500 I HN -0.288 nan 8.210 nan 0.000 0.431 501 P HA -0.214 nan 4.420 nan 0.000 0.217 501 P C 1.487 178.811 177.300 0.041 0.000 1.158 501 P CA 2.018 65.143 63.100 0.041 0.000 0.887 501 P CB 0.350 32.070 31.700 0.033 0.000 0.792 502 A N -0.801 122.056 122.820 0.061 0.000 2.070 502 A HA -0.054 4.266 4.320 0.001 0.000 0.220 502 A C 2.222 179.847 177.584 0.068 0.000 1.159 502 A CA 1.875 53.952 52.037 0.067 0.000 0.656 502 A CB -1.334 17.708 19.000 0.070 0.000 0.800 502 A HN 0.236 nan 8.150 nan 0.000 0.453 503 A N -0.511 122.376 122.820 0.112 0.000 1.975 503 A HA 0.032 4.352 4.320 0.001 0.000 0.215 503 A C 2.053 179.622 177.584 -0.024 0.000 1.170 503 A CA 1.443 53.572 52.037 0.154 0.000 0.656 503 A CB -0.293 18.935 19.000 0.381 0.000 0.821 503 A HN 0.482 nan 8.150 nan 0.000 0.449 504 K N -0.260 120.037 120.400 -0.172 0.000 2.026 504 K HA -0.144 4.176 4.320 0.001 0.000 0.208 504 K C 2.316 178.670 176.600 -0.410 0.000 1.048 504 K CA 1.139 57.034 56.287 -0.653 0.000 0.929 504 K CB -0.199 32.058 32.500 -0.405 0.000 0.713 504 K HN 0.290 nan 8.250 nan 0.000 0.439 505 R N -0.343 120.054 120.500 -0.173 0.000 2.112 505 R HA -0.167 4.174 4.340 0.001 0.000 0.242 505 R C 2.377 178.551 176.300 -0.210 0.000 1.137 505 R CA 1.906 57.951 56.100 -0.092 0.000 0.944 505 R CB -0.904 29.457 30.300 0.102 0.000 0.857 505 R HN 0.441 nan 8.270 nan 0.000 0.435 506 G N 0.122 108.852 108.800 -0.117 0.000 2.418 506 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 506 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 506 G C 1.549 176.310 174.900 -0.231 0.000 1.158 506 G CA 0.949 45.973 45.100 -0.125 0.000 0.771 506 G HN 0.463 nan 8.290 nan 0.000 0.545 507 A N 0.692 123.375 122.820 -0.227 0.000 1.855 507 A HA 0.057 4.377 4.320 0.001 0.000 0.215 507 A C 2.438 179.867 177.584 -0.258 0.000 1.191 507 A CA 2.026 53.953 52.037 -0.182 0.000 0.613 507 A CB -0.351 18.584 19.000 -0.109 0.000 0.829 507 A HN 0.269 nan 8.150 nan 0.000 0.442 508 M N -0.234 119.149 119.600 -0.360 0.000 2.159 508 M HA -0.078 4.403 4.480 0.001 0.000 0.263 508 M C 2.258 178.268 176.300 -0.483 0.000 1.063 508 M CA 1.399 56.497 55.300 -0.335 0.000 1.110 508 M CB -1.928 30.491 32.600 -0.301 0.000 1.374 508 M HN 0.479 nan 8.290 nan 0.000 0.411 509 G N 1.020 109.331 108.800 -0.814 0.000 2.414 509 G HA2 -0.184 3.777 3.960 0.001 0.000 0.215 509 G HA3 -0.184 3.777 3.960 0.001 0.000 0.215 509 G C 1.684 176.043 174.900 -0.902 0.000 1.188 509 G CA 0.401 44.535 45.100 -1.609 0.000 0.783 509 G HN 0.522 nan 8.290 nan 0.000 0.537 510 R N -0.641 119.584 120.500 -0.459 0.000 2.404 510 R HA 0.295 4.636 4.340 0.001 0.000 0.237 510 R C 0.400 176.685 176.300 -0.025 0.000 0.907 510 R CA -0.392 55.666 56.100 -0.069 0.000 1.063 510 R CB 0.365 30.767 30.300 0.169 0.000 1.134 510 R HN 0.130 nan 8.270 nan 0.000 0.529 511 R N 2.159 122.603 120.500 -0.093 0.000 3.301 511 R HA -0.124 4.216 4.340 0.001 0.000 0.249 511 R C -0.618 175.684 176.300 0.003 0.000 0.964 511 R CA 1.177 57.249 56.100 -0.047 0.000 0.653 511 R CB -2.075 28.192 30.300 -0.056 0.000 1.043 511 R HN 0.396 nan 8.270 nan 0.000 0.454 512 T N -0.796 113.778 114.554 0.033 0.000 2.851 512 T HA 0.565 4.915 4.350 0.001 0.000 0.298 512 T C 0.671 175.396 174.700 0.041 0.000 0.977 512 T CA -0.652 61.489 62.100 0.069 0.000 1.126 512 T CB 1.434 70.376 68.868 0.123 0.000 0.916 512 T HN 0.218 nan 8.240 nan 0.000 0.529 513 L N 1.855 123.097 121.223 0.031 0.000 2.323 513 L HA 0.830 5.171 4.340 0.001 0.000 0.265 513 L C 0.536 177.415 176.870 0.015 0.000 1.012 513 L CA -1.275 53.572 54.840 0.011 0.000 0.820 513 L CB 2.257 44.311 42.059 -0.008 0.000 1.334 513 L HN 0.904 nan 8.230 nan 0.000 0.427 514 G N 2.042 110.841 108.800 -0.002 0.000 3.003 514 G HA2 0.639 4.600 3.960 0.001 0.000 0.293 514 G HA3 0.639 4.600 3.960 0.001 0.000 0.293 514 G C -0.974 173.905 174.900 -0.035 0.000 1.553 514 G CA -0.147 44.950 45.100 -0.004 0.000 1.078 514 G HN 0.347 nan 8.290 nan 0.000 0.550 515 I N 1.918 122.459 120.570 -0.048 0.000 2.412 515 I HA 0.722 4.892 4.170 0.001 0.000 0.296 515 I C 0.864 176.926 176.117 -0.090 0.000 0.987 515 I CA -0.412 60.806 61.300 -0.137 0.000 1.180 515 I CB 2.206 40.077 38.000 -0.216 0.000 1.340 515 I HN 0.494 nan 8.210 nan 0.000 0.455 516 G N 4.462 113.196 108.800 -0.110 0.000 3.021 516 G HA2 0.711 4.671 3.960 0.001 0.000 0.290 516 G HA3 0.711 4.671 3.960 0.001 0.000 0.290 516 G C -0.866 174.033 174.900 -0.001 0.000 1.291 516 G CA -0.423 44.679 45.100 0.003 0.000 0.834 516 G HN 0.518 nan 8.290 nan 0.000 0.564 517 V N -1.596 118.362 119.914 0.074 0.000 3.177 517 V HA 0.909 5.030 4.120 0.001 0.000 0.319 517 V C 0.009 176.171 176.094 0.112 0.000 1.125 517 V CA -0.897 61.459 62.300 0.093 0.000 1.029 517 V CB 1.295 33.171 31.823 0.088 0.000 1.119 517 V HN 1.187 nan 8.190 nan 0.000 0.452 518 I N -2.525 118.131 120.570 0.143 0.000 3.191 518 I HA 0.618 4.789 4.170 0.001 0.000 0.313 518 I C 0.123 176.380 176.117 0.233 0.000 1.193 518 I CA -0.723 60.683 61.300 0.176 0.000 0.968 518 I CB 2.053 40.135 38.000 0.136 0.000 1.262 518 I HN 0.886 nan 8.210 nan 0.000 0.456 519 N N 0.003 118.870 118.700 0.279 0.000 2.850 519 N HA -0.248 4.493 4.740 0.001 0.000 0.249 519 N C 0.545 176.325 175.510 0.450 0.000 1.060 519 N CA 0.823 54.081 53.050 0.347 0.000 0.825 519 N CB -0.658 38.016 38.487 0.311 0.000 1.132 519 N HN 0.746 nan 8.380 nan 0.000 0.564 520 F N 1.355 121.468 119.950 0.271 0.000 2.065 520 F HA -0.182 4.346 4.527 0.001 0.000 0.298 520 F C 2.339 178.351 175.800 0.354 0.000 1.112 520 F CA 2.308 60.476 58.000 0.281 0.000 1.212 520 F CB -0.877 38.284 39.000 0.269 0.000 0.975 520 F HN 0.227 nan 8.300 nan 0.000 0.476 521 A N -0.656 122.415 122.820 0.418 0.000 1.892 521 A HA -0.321 3.999 4.320 0.001 0.000 0.218 521 A C 2.215 179.965 177.584 0.276 0.000 1.188 521 A CA 2.022 54.299 52.037 0.399 0.000 0.631 521 A CB -1.849 17.500 19.000 0.582 0.000 0.822 521 A HN 0.648 nan 8.150 nan 0.000 0.447 522 Y N -1.474 118.990 120.300 0.273 0.000 2.242 522 Y HA -0.220 4.330 4.550 0.001 0.000 0.291 522 Y C 2.189 178.136 175.900 0.079 0.000 1.137 522 Y CA 1.792 59.987 58.100 0.158 0.000 1.181 522 Y CB -0.646 37.988 38.460 0.289 0.000 0.989 522 Y HN 0.425 nan 8.280 nan 0.000 0.527 523 Y N 0.590 120.861 120.300 -0.048 0.000 2.128 523 Y HA -0.294 4.256 4.550 0.001 0.000 0.284 523 Y C 2.063 177.819 175.900 -0.240 0.000 1.154 523 Y CA 2.195 60.207 58.100 -0.146 0.000 1.149 523 Y CB -0.640 37.803 38.460 -0.028 0.000 0.976 523 Y HN 0.170 nan 8.280 nan 0.000 0.505 524 L N -0.473 120.540 121.223 -0.351 0.000 2.191 524 L HA -0.194 4.146 4.340 0.001 0.000 0.212 524 L C 2.686 179.350 176.870 -0.343 0.000 1.103 524 L CA 0.997 55.565 54.840 -0.453 0.000 0.769 524 L CB -0.968 40.754 42.059 -0.562 0.000 0.908 524 L HN 0.372 nan 8.230 nan 0.000 0.438 525 A N 0.970 123.561 122.820 -0.382 0.000 1.929 525 A HA -0.157 4.163 4.320 0.001 0.000 0.216 525 A C 2.266 179.595 177.584 -0.425 0.000 1.176 525 A CA 1.200 52.971 52.037 -0.443 0.000 0.628 525 A CB -0.249 18.277 19.000 -0.790 0.000 0.816 525 A HN 0.434 nan 8.150 nan 0.000 0.444 526 K N -0.755 119.330 120.400 -0.525 0.000 2.283 526 K HA -0.119 4.202 4.320 0.001 0.000 0.202 526 K C 0.726 177.053 176.600 -0.455 0.000 1.048 526 K CA 1.268 57.262 56.287 -0.489 0.000 0.948 526 K CB -0.369 31.803 32.500 -0.547 0.000 0.742 526 K HN 0.657 nan 8.250 nan 0.000 0.458 527 H N 0.389 119.201 119.070 -0.430 0.000 2.520 527 H HA 0.118 4.674 4.556 0.001 0.000 0.284 527 H C 0.527 175.694 175.328 -0.269 0.000 1.037 527 H CA 0.289 56.123 56.048 -0.358 0.000 1.168 527 H CB 0.617 30.102 29.762 -0.461 0.000 1.497 527 H HN 0.501 nan 8.280 nan 0.000 0.547 528 G N 2.343 111.038 108.800 -0.175 0.000 2.305 528 G HA2 -0.272 3.688 3.960 0.001 0.000 0.287 528 G HA3 -0.272 3.688 3.960 0.001 0.000 0.287 528 G C 0.172 175.008 174.900 -0.107 0.000 1.036 528 G CA 0.299 45.317 45.100 -0.137 0.000 0.887 528 G HN 0.224 nan 8.290 nan 0.000 0.505 529 K N -1.079 119.243 120.400 -0.129 0.000 2.245 529 K HA 0.819 5.140 4.320 0.001 0.000 0.234 529 K C 0.451 177.000 176.600 -0.085 0.000 1.021 529 K CA -0.853 55.368 56.287 -0.111 0.000 0.898 529 K CB 1.625 34.036 32.500 -0.149 0.000 1.163 529 K HN 0.251 nan 8.250 nan 0.000 0.459 530 R N -0.777 119.699 120.500 -0.041 0.000 2.836 530 R HA 0.285 4.625 4.340 0.001 0.000 0.269 530 R C 0.461 176.816 176.300 0.092 0.000 1.010 530 R CA -0.446 55.691 56.100 0.061 0.000 0.930 530 R CB 0.908 31.253 30.300 0.076 0.000 1.218 530 R HN 0.488 nan 8.270 nan 0.000 0.473 531 Y N -0.586 119.744 120.300 0.051 0.000 2.243 531 Y HA -0.099 4.452 4.550 0.001 0.000 0.293 531 Y C 2.185 178.137 175.900 0.087 0.000 1.124 531 Y CA 1.591 59.751 58.100 0.100 0.000 1.159 531 Y CB 0.228 38.789 38.460 0.167 0.000 1.008 531 Y HN 0.574 nan 8.280 nan 0.000 0.527 532 S N -0.792 115.049 115.700 0.234 0.000 2.528 532 S HA -0.055 4.415 4.470 0.001 0.000 0.219 532 S C 1.003 175.664 174.600 0.101 0.000 0.985 532 S CA 0.703 58.997 58.200 0.156 0.000 0.914 532 S CB -0.335 62.936 63.200 0.119 0.000 0.776 532 S HN 0.545 nan 8.310 nan 0.000 0.526 533 D N 0.438 120.886 120.400 0.080 0.000 2.367 533 D HA 0.293 4.933 4.640 0.001 0.000 0.207 533 D C 1.437 177.757 176.300 0.032 0.000 1.034 533 D CA 0.636 54.666 54.000 0.051 0.000 0.861 533 D CB -0.639 40.185 40.800 0.039 0.000 0.943 533 D HN 0.493 nan 8.370 nan 0.000 0.515 534 G N 0.318 109.134 108.800 0.027 0.000 2.157 534 G HA2 -0.338 3.622 3.960 0.001 0.000 0.239 534 G HA3 -0.338 3.622 3.960 0.001 0.000 0.239 534 G C 1.156 176.051 174.900 -0.008 0.000 0.982 534 G CA 0.762 45.861 45.100 -0.002 0.000 0.650 534 G HN 0.642 nan 8.290 nan 0.000 0.527 535 S N -0.697 115.000 115.700 -0.004 0.000 2.474 535 S HA 0.394 4.864 4.470 0.001 0.000 0.235 535 S C 2.171 176.752 174.600 -0.031 0.000 0.997 535 S CA 1.326 59.516 58.200 -0.017 0.000 0.949 535 S CB 0.065 63.255 63.200 -0.017 0.000 0.766 535 S HN 1.702 nan 8.310 nan 0.000 0.517 536 A N 1.108 123.905 122.820 -0.038 0.000 2.308 536 A HA 0.325 4.646 4.320 0.001 0.000 0.217 536 A C 1.685 179.273 177.584 0.007 0.000 1.216 536 A CA 0.022 52.031 52.037 -0.047 0.000 0.864 536 A CB -0.387 18.545 19.000 -0.113 0.000 0.902 536 A HN 0.439 nan 8.150 nan 0.000 0.499 537 N N 1.828 120.526 118.700 -0.002 0.000 2.018 537 N HA -0.186 4.555 4.740 0.001 0.000 0.196 537 N C 1.369 176.915 175.510 0.060 0.000 1.043 537 N CA 1.966 55.021 53.050 0.008 0.000 0.856 537 N CB -0.353 38.116 38.487 -0.029 0.000 1.042 537 N HN 0.477 nan 8.380 nan 0.000 0.423 538 N N 0.457 119.181 118.700 0.040 0.000 2.106 538 N HA -0.090 4.651 4.740 0.001 0.000 0.188 538 N C 1.779 177.365 175.510 0.127 0.000 1.029 538 N CA 0.367 53.456 53.050 0.064 0.000 0.848 538 N CB -0.682 37.812 38.487 0.011 0.000 1.007 538 N HN 0.143 nan 8.380 nan 0.000 0.423 539 L N 1.720 122.992 121.223 0.082 0.000 2.021 539 L HA -0.191 4.149 4.340 0.001 0.000 0.215 539 L C 1.946 178.947 176.870 0.218 0.000 1.074 539 L CA 1.857 56.752 54.840 0.091 0.000 0.760 539 L CB -1.378 40.663 42.059 -0.032 0.000 0.889 539 L HN 0.136 nan 8.230 nan 0.000 0.433 540 T N -1.261 113.445 114.554 0.254 0.000 2.652 540 T HA -0.269 4.082 4.350 0.001 0.000 0.267 540 T C 1.842 176.755 174.700 0.356 0.000 1.039 540 T CA 1.600 63.928 62.100 0.379 0.000 1.153 540 T CB -0.601 68.417 68.868 0.251 0.000 0.863 540 T HN 0.528 nan 8.240 nan 0.000 0.428 541 H N 1.623 120.797 119.070 0.173 0.000 2.289 541 H HA -0.073 4.483 4.556 0.001 0.000 0.296 541 H C 2.448 177.842 175.328 0.111 0.000 1.091 541 H CA 1.906 58.062 56.048 0.180 0.000 1.274 541 H CB -0.264 29.565 29.762 0.112 0.000 1.364 541 H HN 0.255 nan 8.280 nan 0.000 0.490 542 K N -0.349 120.260 120.400 0.348 0.000 2.063 542 K HA -0.115 4.205 4.320 0.001 0.000 0.208 542 K C 2.032 178.719 176.600 0.144 0.000 1.048 542 K CA 1.884 58.340 56.287 0.282 0.000 0.928 542 K CB 0.011 32.682 32.500 0.285 0.000 0.713 542 K HN 0.325 nan 8.250 nan 0.000 0.442 543 T N 0.196 114.838 114.554 0.146 0.000 2.857 543 T HA -0.045 4.306 4.350 0.001 0.000 0.266 543 T C 1.525 176.057 174.700 -0.280 0.000 1.048 543 T CA 1.022 63.113 62.100 -0.015 0.000 1.139 543 T CB -0.187 68.714 68.868 0.055 0.000 0.874 543 T HN 0.127 nan 8.240 nan 0.000 0.455 544 F N 1.278 121.113 119.950 -0.191 0.000 2.416 544 F HA 0.180 4.707 4.527 0.001 0.000 0.296 544 F C 2.465 177.825 175.800 -0.733 0.000 1.099 544 F CA 0.311 58.137 58.000 -0.290 0.000 1.427 544 F CB -0.171 38.768 39.000 -0.102 0.000 1.079 544 F HN 0.146 nan 8.300 nan 0.000 0.536 545 E N 0.743 120.300 120.200 -1.071 0.000 2.051 545 E HA -0.217 4.133 4.350 0.001 0.000 0.192 545 E C 2.362 178.745 176.600 -0.361 0.000 0.991 545 E CA 1.147 56.884 56.400 -1.105 0.000 0.799 545 E CB -0.126 29.197 29.700 -0.628 0.000 0.748 545 E HN 0.308 nan 8.360 nan 0.000 0.449 546 A N 1.223 123.883 122.820 -0.267 0.000 1.902 546 A HA -0.169 4.151 4.320 0.001 0.000 0.217 546 A C 2.204 179.605 177.584 -0.305 0.000 1.181 546 A CA 1.363 53.181 52.037 -0.366 0.000 0.623 546 A CB -0.649 18.296 19.000 -0.093 0.000 0.818 546 A HN 0.325 nan 8.150 nan 0.000 0.443 547 I N -0.987 119.422 120.570 -0.269 0.000 2.127 547 I HA -0.294 3.877 4.170 0.001 0.000 0.241 547 I C 2.798 178.884 176.117 -0.052 0.000 1.075 547 I CA 1.869 63.053 61.300 -0.193 0.000 1.334 547 I CB -0.229 37.625 38.000 -0.245 0.000 1.040 547 I HN 0.361 nan 8.210 nan 0.000 0.405 548 Q N 0.150 119.952 119.800 0.003 0.000 2.079 548 Q HA -0.259 4.081 4.340 0.001 0.000 0.200 548 Q C 2.047 178.063 176.000 0.026 0.000 0.974 548 Q CA 1.846 57.744 55.803 0.158 0.000 0.840 548 Q CB -0.590 28.408 28.738 0.434 0.000 0.898 548 Q HN 0.586 nan 8.270 nan 0.000 0.430 549 Y N -0.551 119.560 120.300 -0.315 0.000 2.089 549 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 549 Y C 1.611 177.158 175.900 -0.587 0.000 1.139 549 Y CA 2.064 59.698 58.100 -0.777 0.000 1.123 549 Y CB -0.554 37.160 38.460 -1.244 0.000 0.980 549 Y HN 0.166 nan 8.280 nan 0.000 0.493 550 Y N 0.262 120.342 120.300 -0.365 0.000 2.224 550 Y HA -0.242 4.309 4.550 0.001 0.000 0.289 550 Y C 2.391 178.133 175.900 -0.263 0.000 1.146 550 Y CA 1.472 59.361 58.100 -0.353 0.000 1.182 550 Y CB -0.991 37.321 38.460 -0.247 0.000 0.983 550 Y HN 0.186 nan 8.280 nan 0.000 0.524 551 L N -0.895 120.317 121.223 -0.018 0.000 1.989 551 L HA -0.263 4.078 4.340 0.001 0.000 0.211 551 L C 2.356 179.169 176.870 -0.096 0.000 1.071 551 L CA 1.359 56.209 54.840 0.016 0.000 0.749 551 L CB -0.894 41.218 42.059 0.089 0.000 0.890 551 L HN 0.196 nan 8.230 nan 0.000 0.431 552 L N -0.287 120.833 121.223 -0.172 0.000 2.042 552 L HA -0.271 4.070 4.340 0.001 0.000 0.210 552 L C 2.722 179.415 176.870 -0.295 0.000 1.076 552 L CA 1.451 56.147 54.840 -0.239 0.000 0.749 552 L CB -0.565 41.360 42.059 -0.223 0.000 0.893 552 L HN 0.272 nan 8.230 nan 0.000 0.432 553 K N 0.307 120.443 120.400 -0.441 0.000 2.032 553 K HA -0.233 4.087 4.320 0.001 0.000 0.209 553 K C 2.156 178.643 176.600 -0.188 0.000 1.048 553 K CA 1.600 57.662 56.287 -0.374 0.000 0.927 553 K CB -0.164 32.026 32.500 -0.517 0.000 0.712 553 K HN 0.282 nan 8.250 nan 0.000 0.441 554 A N 0.169 122.916 122.820 -0.120 0.000 1.933 554 A HA -0.160 4.160 4.320 0.001 0.000 0.218 554 A C 2.203 179.745 177.584 -0.071 0.000 1.175 554 A CA 2.139 54.141 52.037 -0.058 0.000 0.628 554 A CB -0.771 18.227 19.000 -0.002 0.000 0.814 554 A HN 0.409 nan 8.150 nan 0.000 0.444 555 S N -0.556 115.085 115.700 -0.099 0.000 2.371 555 S HA -0.154 4.316 4.470 0.001 0.000 0.224 555 S C 2.081 176.597 174.600 -0.140 0.000 1.029 555 S CA 1.200 59.333 58.200 -0.112 0.000 0.978 555 S CB -0.553 62.567 63.200 -0.133 0.000 0.833 555 S HN 0.763 nan 8.310 nan 0.000 0.466 556 N N 0.355 118.959 118.700 -0.160 0.000 2.043 556 N HA -0.164 4.576 4.740 0.001 0.000 0.193 556 N C 1.524 176.947 175.510 -0.145 0.000 1.037 556 N CA 1.340 54.296 53.050 -0.157 0.000 0.851 556 N CB -0.174 38.224 38.487 -0.149 0.000 1.027 556 N HN 0.236 nan 8.380 nan 0.000 0.422 557 E N 1.089 121.211 120.200 -0.131 0.000 2.114 557 E HA -0.207 4.144 4.350 0.001 0.000 0.199 557 E C 1.944 178.488 176.600 -0.093 0.000 1.008 557 E CA 0.726 57.060 56.400 -0.110 0.000 0.810 557 E CB -0.581 29.078 29.700 -0.068 0.000 0.739 557 E HN 0.396 nan 8.360 nan 0.000 0.456 558 L N 0.139 121.313 121.223 -0.081 0.000 2.156 558 L HA 0.004 4.345 4.340 0.001 0.000 0.208 558 L C 2.063 178.877 176.870 -0.092 0.000 1.095 558 L CA 1.848 56.647 54.840 -0.068 0.000 0.770 558 L CB -0.581 41.443 42.059 -0.058 0.000 0.914 558 L HN 0.056 nan 8.230 nan 0.000 0.439 559 A N -0.560 122.189 122.820 -0.118 0.000 1.898 559 A HA -0.176 4.144 4.320 0.001 0.000 0.216 559 A C 2.262 179.788 177.584 -0.098 0.000 1.181 559 A CA 1.558 53.518 52.037 -0.128 0.000 0.620 559 A CB -0.448 18.437 19.000 -0.193 0.000 0.819 559 A HN 0.434 nan 8.150 nan 0.000 0.442 560 K N -0.451 119.882 120.400 -0.113 0.000 2.015 560 K HA -0.276 4.044 4.320 0.001 0.000 0.216 560 K C 2.110 178.662 176.600 -0.081 0.000 1.052 560 K CA 2.007 58.220 56.287 -0.123 0.000 0.937 560 K CB -0.343 32.014 32.500 -0.238 0.000 0.719 560 K HN 0.743 nan 8.250 nan 0.000 0.446 561 E N 0.627 120.779 120.200 -0.081 0.000 2.051 561 E HA -0.204 4.146 4.350 0.001 0.000 0.192 561 E C 1.412 177.968 176.600 -0.073 0.000 0.991 561 E CA 1.390 57.750 56.400 -0.067 0.000 0.799 561 E CB 0.252 29.918 29.700 -0.057 0.000 0.748 561 E HN 0.358 nan 8.360 nan 0.000 0.449 562 Q N -0.946 118.806 119.800 -0.080 0.000 2.140 562 Q HA 0.269 4.609 4.340 0.001 0.000 0.227 562 Q C -0.134 175.824 176.000 -0.071 0.000 0.798 562 Q CA 0.246 55.999 55.803 -0.084 0.000 0.987 562 Q CB 2.141 30.818 28.738 -0.103 0.000 1.161 562 Q HN 0.274 nan 8.270 nan 0.000 0.480 563 G N 1.668 110.426 108.800 -0.069 0.000 2.895 563 G HA2 0.022 3.982 3.960 0.001 0.000 0.686 563 G HA3 0.022 3.982 3.960 0.001 0.000 0.686 563 G C -0.334 174.512 174.900 -0.089 0.000 1.108 563 G CA -0.522 44.539 45.100 -0.065 0.000 0.761 563 G HN 0.356 nan 8.290 nan 0.000 0.611 564 A N 1.457 124.206 122.820 -0.117 0.000 2.448 564 A HA 0.585 4.906 4.320 0.001 0.000 0.239 564 A C 1.707 179.255 177.584 -0.059 0.000 1.080 564 A CA 0.584 52.519 52.037 -0.170 0.000 0.779 564 A CB -0.301 18.504 19.000 -0.326 0.000 1.026 564 A HN 2.553 nan 8.150 nan 0.000 0.499 565 C N 0.575 119.862 119.300 -0.022 0.000 2.657 565 C HA 0.315 4.776 4.460 0.001 0.000 0.420 565 C C -0.959 174.069 174.990 0.062 0.000 1.323 565 C CA -0.902 58.115 59.018 -0.001 0.000 1.894 565 C CB -0.539 27.210 27.740 0.016 0.000 2.681 565 C HN 0.710 nan 8.230 nan 0.000 0.613 566 P HA -0.155 nan 4.420 nan 0.000 0.219 566 P C 0.694 178.172 177.300 0.297 0.000 1.161 566 P CA 2.046 65.186 63.100 0.067 0.000 0.909 566 P CB -0.125 31.518 31.700 -0.095 0.000 0.793 567 W N -1.900 119.469 121.300 0.115 0.000 3.213 567 W HA 0.333 4.994 4.660 0.001 0.000 0.430 567 W C 1.332 177.941 176.519 0.149 0.000 0.975 567 W CA -1.444 55.971 57.345 0.115 0.000 2.015 567 W CB -1.922 27.595 29.460 0.094 0.000 1.047 567 W HN -0.055 nan 8.180 nan 0.000 0.797 568 F N 2.954 123.030 119.950 0.210 0.000 2.192 568 F HA -0.308 4.220 4.527 0.001 0.000 0.301 568 F C 1.819 177.706 175.800 0.144 0.000 1.079 568 F CA 2.311 60.395 58.000 0.140 0.000 1.303 568 F CB -0.406 38.640 39.000 0.077 0.000 1.024 568 F HN 0.091 nan 8.300 nan 0.000 0.494 569 N N 0.011 118.759 118.700 0.079 0.000 2.430 569 N HA -0.218 4.523 4.740 0.001 0.000 0.186 569 N C 1.060 176.542 175.510 -0.047 0.000 1.032 569 N CA 1.544 54.588 53.050 -0.012 0.000 0.893 569 N CB -0.749 37.788 38.487 0.082 0.000 0.957 569 N HN 0.523 nan 8.380 nan 0.000 0.442 570 E N 0.131 120.348 120.200 0.028 0.000 2.489 570 E HA -0.020 4.330 4.350 0.001 0.000 0.193 570 E C 0.198 176.824 176.600 0.045 0.000 1.057 570 E CA 0.450 56.891 56.400 0.067 0.000 0.866 570 E CB 0.011 29.803 29.700 0.154 0.000 0.916 570 E HN 0.549 nan 8.360 nan 0.000 0.500 571 T N -0.794 113.671 114.554 -0.148 0.000 2.899 571 T HA 0.110 4.460 4.350 0.001 0.000 0.284 571 T C 1.499 176.058 174.700 -0.234 0.000 1.004 571 T CA -0.216 61.739 62.100 -0.243 0.000 1.043 571 T CB 1.584 70.236 68.868 -0.361 0.000 1.013 571 T HN 0.009 nan 8.240 nan 0.000 0.518 572 T N -1.312 113.107 114.554 -0.226 0.000 2.962 572 T HA -0.105 4.246 4.350 0.001 0.000 0.270 572 T C 1.397 175.963 174.700 -0.224 0.000 1.088 572 T CA 0.656 62.630 62.100 -0.210 0.000 1.127 572 T CB -0.855 67.874 68.868 -0.230 0.000 0.883 572 T HN 0.619 nan 8.240 nan 0.000 0.493 573 Y N 2.344 122.530 120.300 -0.189 0.000 2.097 573 Y HA 0.057 4.607 4.550 0.001 0.000 0.282 573 Y C 3.108 178.950 175.900 -0.096 0.000 1.152 573 Y CA 0.852 58.908 58.100 -0.075 0.000 1.136 573 Y CB -1.172 37.302 38.460 0.023 0.000 0.975 573 Y HN 0.317 nan 8.280 nan 0.000 0.498 574 A N 0.120 122.700 122.820 -0.400 0.000 1.927 574 A HA -0.270 4.051 4.320 0.001 0.000 0.220 574 A C 1.976 179.556 177.584 -0.007 0.000 1.185 574 A CA 2.097 53.941 52.037 -0.321 0.000 0.639 574 A CB -0.640 17.983 19.000 -0.627 0.000 0.820 574 A HN 0.448 nan 8.150 nan 0.000 0.451 575 K N -1.289 119.086 120.400 -0.042 0.000 2.522 575 K HA 0.242 4.563 4.320 0.001 0.000 0.194 575 K C 0.880 177.497 176.600 0.028 0.000 1.026 575 K CA 0.420 56.706 56.287 -0.002 0.000 1.119 575 K CB -0.294 32.188 32.500 -0.029 0.000 0.856 575 K HN 0.712 nan 8.250 nan 0.000 0.513 576 G N 1.766 110.608 108.800 0.070 0.000 2.160 576 G HA2 -0.257 3.704 3.960 0.001 0.000 0.251 576 G HA3 -0.257 3.704 3.960 0.001 0.000 0.251 576 G C 0.054 174.991 174.900 0.061 0.000 1.008 576 G CA -0.162 44.994 45.100 0.093 0.000 0.724 576 G HN 0.286 nan 8.290 nan 0.000 0.514 577 I N 0.548 121.118 120.570 0.001 0.000 2.353 577 I HA 0.512 4.683 4.170 0.001 0.000 0.293 577 I C 0.683 176.730 176.117 -0.116 0.000 0.992 577 I CA -0.671 60.596 61.300 -0.055 0.000 1.268 577 I CB 1.291 39.229 38.000 -0.103 0.000 1.387 577 I HN -0.049 nan 8.210 nan 0.000 0.478 578 L N 7.564 128.764 121.223 -0.037 0.000 2.322 578 L HA 0.428 4.768 4.340 0.001 0.000 0.269 578 L C -1.467 175.376 176.870 -0.045 0.000 1.012 578 L CA -1.623 53.217 54.840 0.001 0.000 0.815 578 L CB 1.946 44.139 42.059 0.223 0.000 1.295 578 L HN 0.306 nan 8.230 nan 0.000 0.438 579 P HA -0.207 nan 4.420 nan 0.000 0.217 579 P C 1.459 178.766 177.300 0.012 0.000 1.151 579 P CA 1.608 64.730 63.100 0.037 0.000 0.849 579 P CB -0.102 31.647 31.700 0.081 0.000 0.787 580 I N -3.479 116.984 120.570 -0.178 0.000 3.083 580 I HA -0.083 4.088 4.170 0.001 0.000 0.273 580 I C 0.799 176.929 176.117 0.022 0.000 1.297 580 I CA 1.529 62.719 61.300 -0.182 0.000 1.452 580 I CB -0.694 37.020 38.000 -0.476 0.000 1.078 580 I HN -0.189 nan 8.210 nan 0.000 0.484 581 D N 1.316 121.694 120.400 -0.037 0.000 2.355 581 D HA -0.010 4.630 4.640 0.001 0.000 0.206 581 D C 1.873 178.059 176.300 -0.190 0.000 1.010 581 D CA 1.511 55.455 54.000 -0.092 0.000 0.875 581 D CB 0.363 41.127 40.800 -0.059 0.000 0.966 581 D HN 0.539 nan 8.370 nan 0.000 0.512 582 T N -1.680 112.793 114.554 -0.135 0.000 3.084 582 T HA 0.107 4.457 4.350 0.001 0.000 0.270 582 T C 0.766 175.218 174.700 -0.414 0.000 1.008 582 T CA -0.707 61.288 62.100 -0.176 0.000 0.900 582 T CB -0.679 68.206 68.868 0.029 0.000 1.084 582 T HN 0.088 nan 8.240 nan 0.000 0.538 583 Y N 1.312 121.259 120.300 -0.587 0.000 2.385 583 Y HA 0.578 5.128 4.550 0.001 0.000 0.346 583 Y C 0.449 175.983 175.900 -0.610 0.000 1.270 583 Y CA -1.901 55.575 58.100 -1.039 0.000 1.472 583 Y CB 0.442 38.459 38.460 -0.738 0.000 1.354 583 Y HN -0.104 nan 8.280 nan 0.000 0.611 584 K N 3.040 123.202 120.400 -0.396 0.000 2.378 584 K HA 0.051 4.371 4.320 0.001 0.000 0.288 584 K C 1.067 177.594 176.600 -0.122 0.000 1.057 584 K CA -0.374 55.721 56.287 -0.319 0.000 0.971 584 K CB 0.619 32.867 32.500 -0.419 0.000 0.975 584 K HN 0.745 nan 8.250 nan 0.000 0.475 585 K N 3.283 123.548 120.400 -0.225 0.000 2.107 585 K HA -0.271 4.049 4.320 0.001 0.000 0.211 585 K C 0.223 176.834 176.600 0.019 0.000 1.049 585 K CA 2.335 58.546 56.287 -0.127 0.000 0.927 585 K CB -0.635 31.770 32.500 -0.158 0.000 0.714 585 K HN 0.706 nan 8.250 nan 0.000 0.452 586 D N 1.146 121.537 120.400 -0.014 0.000 2.311 586 D HA -0.048 4.593 4.640 0.001 0.000 0.212 586 D C 1.959 178.374 176.300 0.192 0.000 0.972 586 D CA 0.770 54.784 54.000 0.023 0.000 0.887 586 D CB -0.139 40.568 40.800 -0.155 0.000 0.915 586 D HN 0.203 nan 8.370 nan 0.000 0.497 587 L N 0.532 121.888 121.223 0.222 0.000 2.127 587 L HA -0.184 4.156 4.340 0.001 0.000 0.211 587 L C 1.640 178.576 176.870 0.111 0.000 1.089 587 L CA 0.939 55.892 54.840 0.187 0.000 0.757 587 L CB -0.351 41.740 42.059 0.053 0.000 0.899 587 L HN 0.019 nan 8.230 nan 0.000 0.434 588 D N -0.310 120.168 120.400 0.130 0.000 2.158 588 D HA -0.194 4.447 4.640 0.001 0.000 0.197 588 D C 2.226 178.560 176.300 0.056 0.000 0.995 588 D CA 1.988 56.037 54.000 0.080 0.000 0.846 588 D CB -0.217 40.641 40.800 0.096 0.000 0.941 588 D HN 0.408 nan 8.370 nan 0.000 0.456 589 T N -1.250 113.357 114.554 0.088 0.000 3.035 589 T HA -0.065 4.285 4.350 0.001 0.000 0.268 589 T C 1.751 176.501 174.700 0.083 0.000 1.109 589 T CA 0.521 62.673 62.100 0.087 0.000 1.119 589 T CB -0.409 68.526 68.868 0.113 0.000 0.900 589 T HN 0.422 nan 8.240 nan 0.000 0.503 590 I N -1.858 118.754 120.570 0.069 0.000 4.009 590 I HA 0.781 4.951 4.170 0.001 0.000 0.331 590 I C 0.178 176.273 176.117 -0.037 0.000 1.462 590 I CA -1.147 60.151 61.300 -0.003 0.000 1.117 590 I CB 0.285 38.220 38.000 -0.107 0.000 1.091 590 I HN 0.236 nan 8.210 nan 0.000 0.410 591 A N 2.396 125.197 122.820 -0.033 0.000 2.512 591 A HA 0.411 4.732 4.320 0.001 0.000 0.294 591 A C -0.036 177.482 177.584 -0.110 0.000 1.054 591 A CA -0.677 51.324 52.037 -0.060 0.000 0.756 591 A CB 0.717 19.698 19.000 -0.032 0.000 1.293 591 A HN 0.302 nan 8.150 nan 0.000 0.395 592 N N 1.453 120.082 118.700 -0.119 0.000 2.282 592 N HA 0.016 4.756 4.740 0.001 0.000 0.185 592 N C 0.237 175.620 175.510 -0.212 0.000 1.099 592 N CA -0.008 52.962 53.050 -0.133 0.000 0.878 592 N CB 0.294 38.737 38.487 -0.073 0.000 0.993 592 N HN 0.724 nan 8.380 nan 0.000 0.481 593 E N 3.744 123.783 120.200 -0.269 0.000 2.765 593 E HA 0.003 4.354 4.350 0.001 0.000 0.256 593 E C -2.176 174.152 176.600 -0.453 0.000 0.935 593 E CA -0.840 55.377 56.400 -0.306 0.000 0.954 593 E CB 0.546 30.087 29.700 -0.266 0.000 0.908 593 E HN 0.273 nan 8.360 nan 0.000 0.500 594 P HA 0.108 nan 4.420 nan 0.000 0.282 594 P C -0.586 176.464 177.300 -0.418 0.000 1.249 594 P CA -0.340 62.597 63.100 -0.272 0.000 0.806 594 P CB 0.672 32.283 31.700 -0.148 0.000 0.984 595 L N 3.402 124.516 121.223 -0.182 0.000 2.453 595 L HA 0.050 4.390 4.340 0.001 0.000 0.272 595 L C 1.731 178.459 176.870 -0.237 0.000 1.182 595 L CA -0.078 54.718 54.840 -0.074 0.000 0.858 595 L CB -0.104 42.032 42.059 0.128 0.000 1.120 595 L HN 0.483 nan 8.230 nan 0.000 0.474 596 H N 2.168 121.252 119.070 0.023 0.000 2.586 596 H HA 0.178 4.734 4.556 0.001 0.000 0.273 596 H C -0.584 174.380 175.328 -0.608 0.000 0.997 596 H CA 0.111 55.981 56.048 -0.296 0.000 1.177 596 H CB 0.119 29.622 29.762 -0.431 0.000 1.471 596 H HN 0.401 nan 8.280 nan 0.000 0.538 597 Y N 0.396 120.664 120.300 -0.054 0.000 2.509 597 Y HA 0.189 4.739 4.550 0.001 0.000 0.341 597 Y C 0.506 176.265 175.900 -0.235 0.000 1.038 597 Y CA -1.265 56.568 58.100 -0.445 0.000 1.089 597 Y CB 1.249 38.948 38.460 -1.268 0.000 1.241 597 Y HN -0.131 nan 8.280 nan 0.000 0.468 598 D N 1.626 121.947 120.400 -0.131 0.000 2.455 598 D HA 0.006 4.646 4.640 0.001 0.000 0.234 598 D C -0.039 176.359 176.300 0.164 0.000 1.224 598 D CA 0.160 54.206 54.000 0.075 0.000 0.999 598 D CB 0.003 40.858 40.800 0.092 0.000 1.072 598 D HN 0.530 nan 8.370 nan 0.000 0.514 599 W N 1.764 123.175 121.300 0.186 0.000 2.476 599 W HA -0.037 4.624 4.660 0.001 0.000 0.281 599 W C 2.089 178.719 176.519 0.185 0.000 1.230 599 W CA 0.029 57.516 57.345 0.237 0.000 1.287 599 W CB 0.259 29.845 29.460 0.210 0.000 1.108 599 W HN 0.334 nan 8.180 nan 0.000 0.567 600 E N 0.223 120.624 120.200 0.336 0.000 2.077 600 E HA -0.182 4.168 4.350 0.001 0.000 0.193 600 E C 2.256 178.961 176.600 0.175 0.000 0.989 600 E CA 1.516 58.050 56.400 0.224 0.000 0.800 600 E CB -1.102 28.702 29.700 0.174 0.000 0.746 600 E HN 0.236 nan 8.360 nan 0.000 0.452 601 A N 1.568 124.482 122.820 0.156 0.000 1.865 601 A HA -0.191 4.130 4.320 0.001 0.000 0.217 601 A C 2.325 179.981 177.584 0.120 0.000 1.191 601 A CA 1.689 53.801 52.037 0.124 0.000 0.623 601 A CB -0.793 18.275 19.000 0.113 0.000 0.826 601 A HN 0.262 nan 8.150 nan 0.000 0.444 602 L N -0.332 120.965 121.223 0.123 0.000 2.083 602 L HA -0.122 4.218 4.340 0.001 0.000 0.209 602 L C 2.460 179.409 176.870 0.130 0.000 1.083 602 L CA 2.257 57.137 54.840 0.067 0.000 0.752 602 L CB -0.464 41.567 42.059 -0.047 0.000 0.899 602 L HN 0.472 nan 8.230 nan 0.000 0.433 603 R N -0.490 120.129 120.500 0.197 0.000 2.094 603 R HA -0.201 4.139 4.340 0.001 0.000 0.239 603 R C 2.134 178.533 176.300 0.166 0.000 1.137 603 R CA 1.925 58.154 56.100 0.214 0.000 0.943 603 R CB -0.266 30.164 30.300 0.217 0.000 0.850 603 R HN 0.403 nan 8.270 nan 0.000 0.433 604 E N 0.232 120.513 120.200 0.135 0.000 2.058 604 E HA -0.164 4.186 4.350 0.001 0.000 0.194 604 E C 1.980 178.645 176.600 0.107 0.000 0.997 604 E CA 1.294 57.758 56.400 0.106 0.000 0.801 604 E CB -0.584 29.170 29.700 0.090 0.000 0.746 604 E HN 0.247 nan 8.360 nan 0.000 0.450 605 S N 0.246 116.021 115.700 0.125 0.000 2.387 605 S HA -0.138 4.332 4.470 0.001 0.000 0.230 605 S C 2.065 176.766 174.600 0.168 0.000 1.035 605 S CA 0.891 59.197 58.200 0.177 0.000 1.014 605 S CB -0.200 63.070 63.200 0.116 0.000 0.836 605 S HN 0.167 nan 8.310 nan 0.000 0.466 606 I N 0.841 121.487 120.570 0.126 0.000 2.163 606 I HA -0.164 4.006 4.170 0.001 0.000 0.240 606 I C 2.699 178.924 176.117 0.180 0.000 1.081 606 I CA 1.188 62.571 61.300 0.138 0.000 1.353 606 I CB -0.308 37.825 38.000 0.220 0.000 1.054 606 I HN 0.214 nan 8.210 nan 0.000 0.407 607 K N 0.169 120.680 120.400 0.186 0.000 2.044 607 K HA -0.209 4.112 4.320 0.001 0.000 0.210 607 K C 2.113 178.764 176.600 0.086 0.000 1.049 607 K CA 2.203 58.592 56.287 0.170 0.000 0.927 607 K CB -0.269 32.303 32.500 0.119 0.000 0.713 607 K HN 0.357 nan 8.250 nan 0.000 0.443 608 T N -0.046 114.497 114.554 -0.019 0.000 2.643 608 T HA -0.085 4.266 4.350 0.001 0.000 0.256 608 T C 1.497 176.020 174.700 -0.296 0.000 1.061 608 T CA 1.048 63.022 62.100 -0.210 0.000 1.163 608 T CB -0.232 68.392 68.868 -0.407 0.000 0.865 608 T HN 0.364 nan 8.240 nan 0.000 0.407 609 H N 0.541 119.581 119.070 -0.050 0.000 2.539 609 H HA 0.403 4.959 4.556 0.001 0.000 0.269 609 H C 1.538 176.717 175.328 -0.248 0.000 0.980 609 H CA 0.364 56.345 56.048 -0.111 0.000 1.152 609 H CB -0.159 29.545 29.762 -0.097 0.000 1.407 609 H HN 0.544 nan 8.280 nan 0.000 0.564 610 G N 1.346 109.988 108.800 -0.262 0.000 2.750 610 G HA2 -0.265 3.696 3.960 0.001 0.000 0.228 610 G HA3 -0.265 3.696 3.960 0.001 0.000 0.228 610 G C -0.699 173.706 174.900 -0.825 0.000 1.367 610 G CA -0.431 44.093 45.100 -0.959 0.000 0.871 610 G HN 0.233 nan 8.290 nan 0.000 0.560 611 L N -0.097 120.374 121.223 -1.254 0.000 2.346 611 L HA 0.562 4.902 4.340 0.001 0.000 0.276 611 L C 1.535 178.220 176.870 -0.310 0.000 1.006 611 L CA -0.854 53.701 54.840 -0.475 0.000 0.817 611 L CB 1.912 43.868 42.059 -0.173 0.000 1.272 611 L HN 0.792 nan 8.230 nan 0.000 0.421 612 R N 2.400 122.784 120.500 -0.192 0.000 2.073 612 R HA -0.054 4.287 4.340 0.001 0.000 0.234 612 R C -0.054 176.205 176.300 -0.069 0.000 1.134 612 R CA 1.526 57.552 56.100 -0.123 0.000 0.952 612 R CB -0.097 30.143 30.300 -0.100 0.000 0.850 612 R HN 0.675 nan 8.270 nan 0.000 0.433 613 N N -0.737 117.925 118.700 -0.063 0.000 2.399 613 N HA 0.192 4.933 4.740 0.001 0.000 0.295 613 N C -0.297 175.211 175.510 -0.004 0.000 1.048 613 N CA -0.225 52.809 53.050 -0.026 0.000 0.886 613 N CB 2.071 40.535 38.487 -0.039 0.000 1.185 613 N HN -0.075 nan 8.380 nan 0.000 0.487 614 S N -0.231 115.499 115.700 0.050 0.000 2.453 614 S HA -0.021 4.449 4.470 0.001 0.000 0.231 614 S C 0.673 175.241 174.600 -0.054 0.000 1.005 614 S CA 0.751 58.973 58.200 0.036 0.000 0.949 614 S CB -0.125 63.148 63.200 0.122 0.000 0.774 614 S HN 0.837 nan 8.310 nan 0.000 0.510 615 T N -2.052 112.506 114.554 0.007 0.000 2.900 615 T HA 0.704 5.054 4.350 0.001 0.000 0.303 615 T C -0.020 174.693 174.700 0.021 0.000 1.142 615 T CA -0.759 61.362 62.100 0.035 0.000 1.007 615 T CB 1.578 70.514 68.868 0.112 0.000 1.156 615 T HN -0.057 nan 8.240 nan 0.000 0.490 616 L N 1.069 122.311 121.223 0.032 0.000 2.953 616 L HA 0.372 4.712 4.340 0.001 0.000 0.258 616 L C 0.776 177.671 176.870 0.042 0.000 1.100 616 L CA -0.005 54.848 54.840 0.022 0.000 0.971 616 L CB 0.750 42.812 42.059 0.005 0.000 1.474 616 L HN 0.920 nan 8.230 nan 0.000 0.540 617 S N 0.060 115.803 115.700 0.072 0.000 2.503 617 S HA 0.895 5.366 4.470 0.001 0.000 0.301 617 S C -0.498 174.141 174.600 0.066 0.000 1.087 617 S CA -0.240 58.010 58.200 0.083 0.000 1.042 617 S CB 2.527 65.812 63.200 0.143 0.000 1.043 617 S HN 0.137 nan 8.310 nan 0.000 0.489 618 A N 2.807 125.655 122.820 0.048 0.000 2.512 618 A HA 0.571 4.891 4.320 0.001 0.000 0.294 618 A C -1.139 176.458 177.584 0.022 0.000 1.054 618 A CA -0.772 51.281 52.037 0.027 0.000 0.756 618 A CB 0.853 19.856 19.000 0.006 0.000 1.293 618 A HN 0.883 nan 8.150 nan 0.000 0.395 619 L N 4.645 125.879 121.223 0.018 0.000 2.270 619 L HA 0.415 4.756 4.340 0.001 0.000 0.286 619 L C 0.307 177.169 176.870 -0.013 0.000 1.059 619 L CA -0.521 54.332 54.840 0.021 0.000 0.839 619 L CB 0.735 42.806 42.059 0.020 0.000 1.221 619 L HN 0.828 nan 8.230 nan 0.000 0.431 620 M N 3.612 123.205 119.600 -0.011 0.000 2.471 620 M HA 0.714 5.194 4.480 0.001 0.000 0.309 620 M C -2.736 173.570 176.300 0.010 0.000 1.186 620 M CA -2.356 52.924 55.300 -0.035 0.000 1.008 620 M CB 0.236 32.816 32.600 -0.034 0.000 1.551 620 M HN 0.027 nan 8.290 nan 0.000 0.477 621 P HA 0.423 nan 4.420 nan 0.000 0.276 621 P C -1.151 176.197 177.300 0.080 0.000 1.261 621 P CA -0.349 62.798 63.100 0.078 0.000 0.800 621 P CB 0.845 32.615 31.700 0.115 0.000 1.066 622 S N -1.776 113.985 115.700 0.102 0.000 2.461 622 S HA 0.222 4.692 4.470 0.001 0.000 0.245 622 S C 0.341 174.998 174.600 0.095 0.000 1.039 622 S CA -0.539 57.718 58.200 0.094 0.000 1.077 622 S CB 1.078 64.330 63.200 0.087 0.000 1.171 622 S HN 0.386 nan 8.310 nan 0.000 0.433 623 E N 3.376 123.631 120.200 0.092 0.000 2.014 623 E HA 0.013 4.363 4.350 0.001 0.000 0.190 623 E C 1.686 178.318 176.600 0.054 0.000 0.980 623 E CA 2.203 58.647 56.400 0.074 0.000 0.807 623 E CB -0.533 29.212 29.700 0.076 0.000 0.770 623 E HN 0.724 nan 8.360 nan 0.000 0.451 624 T N 0.523 115.114 114.554 0.062 0.000 2.595 624 T HA -0.208 4.142 4.350 0.001 0.000 0.264 624 T C 2.035 176.755 174.700 0.032 0.000 1.058 624 T CA 2.120 64.247 62.100 0.043 0.000 1.166 624 T CB -0.816 68.111 68.868 0.098 0.000 0.863 624 T HN 0.278 nan 8.240 nan 0.000 0.415 625 S N 2.361 118.119 115.700 0.097 0.000 2.368 625 S HA -0.211 4.259 4.470 0.001 0.000 0.226 625 S C 2.379 177.014 174.600 0.059 0.000 1.044 625 S CA 1.702 59.973 58.200 0.118 0.000 1.062 625 S CB -1.061 62.221 63.200 0.137 0.000 0.931 625 S HN 0.443 nan 8.310 nan 0.000 0.440 626 S N 1.847 117.580 115.700 0.055 0.000 2.365 626 S HA -0.211 4.260 4.470 0.001 0.000 0.225 626 S C 2.135 176.730 174.600 -0.009 0.000 1.039 626 S CA 1.448 59.672 58.200 0.039 0.000 1.033 626 S CB -0.528 62.710 63.200 0.064 0.000 0.887 626 S HN 0.531 nan 8.310 nan 0.000 0.447 627 Q N 0.252 120.039 119.800 -0.021 0.000 2.061 627 Q HA -0.091 4.249 4.340 0.001 0.000 0.204 627 Q C 2.244 178.183 176.000 -0.101 0.000 0.984 627 Q CA 1.215 56.983 55.803 -0.059 0.000 0.846 627 Q CB -0.339 28.357 28.738 -0.069 0.000 0.902 627 Q HN 0.515 nan 8.270 nan 0.000 0.421 628 I N 0.424 120.921 120.570 -0.121 0.000 2.208 628 I HA -0.231 3.939 4.170 0.001 0.000 0.245 628 I C 1.845 177.837 176.117 -0.209 0.000 1.097 628 I CA 1.229 62.451 61.300 -0.131 0.000 1.363 628 I CB -0.582 37.347 38.000 -0.118 0.000 1.051 628 I HN 0.083 nan 8.210 nan 0.000 0.413 629 S N 0.469 116.004 115.700 -0.274 0.000 2.603 629 S HA -0.035 4.435 4.470 0.001 0.000 0.220 629 S C 0.635 175.020 174.600 -0.358 0.000 0.967 629 S CA 0.006 57.877 58.200 -0.549 0.000 0.920 629 S CB -0.517 62.559 63.200 -0.207 0.000 0.773 629 S HN 0.511 nan 8.310 nan 0.000 0.529 630 N N 1.333 119.921 118.700 -0.187 0.000 2.641 630 N HA -0.191 4.549 4.740 0.001 0.000 0.267 630 N C -0.657 174.806 175.510 -0.077 0.000 1.087 630 N CA 0.795 53.789 53.050 -0.093 0.000 0.731 630 N CB -1.325 37.137 38.487 -0.042 0.000 0.886 630 N HN 0.534 nan 8.380 nan 0.000 0.547 631 A N 0.469 123.270 122.820 -0.031 0.000 2.556 631 A HA 0.765 5.085 4.320 0.001 0.000 0.294 631 A C 0.348 177.987 177.584 0.092 0.000 1.091 631 A CA -0.090 51.962 52.037 0.024 0.000 0.704 631 A CB 0.732 19.764 19.000 0.053 0.000 1.300 631 A HN 0.747 nan 8.150 nan 0.000 0.406 632 T N -0.431 114.230 114.554 0.179 0.000 2.900 632 T HA 0.291 4.641 4.350 0.001 0.000 0.307 632 T C 0.052 174.872 174.700 0.200 0.000 1.065 632 T CA -0.166 62.060 62.100 0.210 0.000 1.105 632 T CB -0.270 68.796 68.868 0.330 0.000 0.979 632 T HN 0.582 nan 8.240 nan 0.000 0.544 633 N N 1.284 120.090 118.700 0.176 0.000 2.458 633 N HA 0.461 5.201 4.740 0.001 0.000 0.270 633 N C 1.431 177.066 175.510 0.208 0.000 1.102 633 N CA -0.106 53.042 53.050 0.163 0.000 0.967 633 N CB 0.718 39.283 38.487 0.131 0.000 1.078 633 N HN 1.016 nan 8.380 nan 0.000 0.471 634 G N 2.640 111.552 108.800 0.187 0.000 2.685 634 G HA2 -0.370 3.591 3.960 0.001 0.000 0.357 634 G HA3 -0.370 3.591 3.960 0.001 0.000 0.357 634 G C 0.736 175.801 174.900 0.276 0.000 1.272 634 G CA 1.294 46.510 45.100 0.193 0.000 0.972 634 G HN 0.781 nan 8.290 nan 0.000 0.550 635 I N -1.733 118.994 120.570 0.262 0.000 3.976 635 I HA 0.487 4.658 4.170 0.001 0.000 0.337 635 I C -0.030 176.443 176.117 0.594 0.000 1.359 635 I CA -0.161 61.361 61.300 0.370 0.000 1.098 635 I CB 0.510 38.519 38.000 0.015 0.000 1.027 635 I HN 0.012 nan 8.210 nan 0.000 0.394 636 E N 4.266 124.725 120.200 0.432 0.000 2.313 636 E HA 0.337 4.688 4.350 0.001 0.000 0.276 636 E C -2.290 174.457 176.600 0.245 0.000 1.031 636 E CA -2.615 53.984 56.400 0.330 0.000 0.857 636 E CB 0.396 30.199 29.700 0.173 0.000 1.040 636 E HN 0.133 nan 8.360 nan 0.000 0.408 637 P HA 0.105 nan 4.420 nan 0.000 0.268 637 P C -2.447 174.778 177.300 -0.126 0.000 1.204 637 P CA -1.152 61.817 63.100 -0.218 0.000 0.768 637 P CB -0.328 30.944 31.700 -0.713 0.000 0.842 638 P HA 0.169 nan 4.420 nan 0.000 0.269 638 P C 1.026 178.213 177.300 -0.189 0.000 1.209 638 P CA -0.046 62.998 63.100 -0.093 0.000 0.776 638 P CB 0.846 32.478 31.700 -0.113 0.000 0.876 639 R N 1.254 121.652 120.500 -0.169 0.000 2.075 639 R HA 0.075 4.416 4.340 0.001 0.000 0.232 639 R C 1.176 177.389 176.300 -0.146 0.000 1.126 639 R CA 1.737 57.736 56.100 -0.169 0.000 0.963 639 R CB -0.251 30.008 30.300 -0.068 0.000 0.858 639 R HN 0.753 nan 8.270 nan 0.000 0.435 640 G N -3.193 105.503 108.800 -0.173 0.000 2.749 640 G HA2 0.214 4.174 3.960 0.001 0.000 0.300 640 G HA3 0.214 4.174 3.960 0.001 0.000 0.300 640 G C -0.789 173.924 174.900 -0.312 0.000 1.352 640 G CA -0.641 44.293 45.100 -0.277 0.000 0.789 640 G HN 0.082 nan 8.290 nan 0.000 0.509 641 Y N -0.986 119.273 120.300 -0.069 0.000 2.395 641 Y HA 0.294 4.844 4.550 0.001 0.000 0.293 641 Y C 1.259 177.050 175.900 -0.181 0.000 1.123 641 Y CA 0.149 58.164 58.100 -0.141 0.000 1.227 641 Y CB 0.153 38.523 38.460 -0.149 0.000 1.012 641 Y HN 0.087 nan 8.280 nan 0.000 0.552 642 V N 0.725 120.628 119.914 -0.018 0.000 2.487 642 V HA 0.402 4.523 4.120 0.001 0.000 0.298 642 V C -0.282 175.791 176.094 -0.036 0.000 1.028 642 V CA -1.119 61.152 62.300 -0.048 0.000 0.860 642 V CB 1.641 33.425 31.823 -0.065 0.000 0.991 642 V HN 0.147 nan 8.190 nan 0.000 0.427 643 S N 5.681 121.363 115.700 -0.031 0.000 2.501 643 S HA 0.823 5.294 4.470 0.001 0.000 0.301 643 S C -0.891 173.700 174.600 -0.015 0.000 1.096 643 S CA -0.586 57.602 58.200 -0.021 0.000 1.063 643 S CB 1.422 64.611 63.200 -0.019 0.000 1.042 643 S HN 0.454 nan 8.310 nan 0.000 0.494 644 I N 2.399 122.964 120.570 -0.008 0.000 2.404 644 I HA 0.554 4.724 4.170 0.001 0.000 0.293 644 I C -0.158 175.958 176.117 -0.002 0.000 0.992 644 I CA -0.438 60.859 61.300 -0.004 0.000 1.149 644 I CB 1.952 39.950 38.000 -0.003 0.000 1.315 644 I HN 0.637 nan 8.210 nan 0.000 0.446 645 K N 4.472 124.871 120.400 -0.002 0.000 2.318 645 K HA 0.862 5.182 4.320 0.001 0.000 0.249 645 K C -0.910 175.691 176.600 0.001 0.000 0.942 645 K CA -0.464 55.821 56.287 -0.003 0.000 0.808 645 K CB 1.877 34.368 32.500 -0.015 0.000 1.189 645 K HN 0.630 nan 8.250 nan 0.000 0.428 646 A N 1.395 124.216 122.820 0.003 0.000 2.252 646 A HA 0.768 5.089 4.320 0.001 0.000 0.305 646 A C -0.522 177.065 177.584 0.004 0.000 1.097 646 A CA -0.124 51.917 52.037 0.006 0.000 0.849 646 A CB 0.969 19.974 19.000 0.007 0.000 1.142 646 A HN 0.693 nan 8.150 nan 0.000 0.499 647 S N -1.384 114.322 115.700 0.010 0.000 2.636 647 S HA 0.418 4.889 4.470 0.001 0.000 0.266 647 S C -0.208 174.402 174.600 0.016 0.000 1.147 647 S CA -0.186 58.020 58.200 0.009 0.000 0.815 647 S CB 0.647 63.852 63.200 0.007 0.000 1.119 647 S HN 0.566 nan 8.310 nan 0.000 0.470 648 K N 0.843 121.253 120.400 0.018 0.000 2.305 648 K HA 0.268 4.589 4.320 0.001 0.000 0.199 648 K C 0.396 177.015 176.600 0.032 0.000 1.047 648 K CA 0.870 57.170 56.287 0.022 0.000 0.976 648 K CB -0.029 32.482 32.500 0.019 0.000 0.765 648 K HN 0.456 nan 8.250 nan 0.000 0.474 649 D N 0.921 121.345 120.400 0.040 0.000 2.336 649 D HA 0.158 4.798 4.640 0.001 0.000 0.228 649 D C 0.549 176.893 176.300 0.073 0.000 1.120 649 D CA 0.538 54.576 54.000 0.063 0.000 0.839 649 D CB 0.278 41.127 40.800 0.082 0.000 0.932 649 D HN 0.287 nan 8.370 nan 0.000 0.509 650 G N 1.071 109.902 108.800 0.052 0.000 2.566 650 G HA2 -0.193 3.767 3.960 0.001 0.000 0.599 650 G HA3 -0.193 3.767 3.960 0.001 0.000 0.599 650 G C -0.521 174.408 174.900 0.048 0.000 1.292 650 G CA -1.027 44.101 45.100 0.046 0.000 0.922 650 G HN 0.181 nan 8.290 nan 0.000 0.514 651 I N 1.017 121.609 120.570 0.037 0.000 2.517 651 I HA 0.235 4.406 4.170 0.001 0.000 0.285 651 I C 0.778 176.930 176.117 0.058 0.000 1.106 651 I CA -0.085 61.234 61.300 0.032 0.000 1.402 651 I CB 0.354 38.361 38.000 0.012 0.000 1.399 651 I HN 0.323 nan 8.210 nan 0.000 0.535 652 L N 7.622 128.875 121.223 0.051 0.000 2.265 652 L HA 0.514 4.854 4.340 0.001 0.000 0.288 652 L C 0.152 177.044 176.870 0.038 0.000 1.058 652 L CA -0.501 54.380 54.840 0.068 0.000 0.809 652 L CB 0.368 42.427 42.059 0.000 0.000 1.179 652 L HN 0.566 nan 8.230 nan 0.000 0.429 653 R N 2.674 123.207 120.500 0.054 0.000 2.589 653 R HA 0.517 4.857 4.340 0.001 0.000 0.293 653 R C -0.865 175.441 176.300 0.009 0.000 0.963 653 R CA -0.668 55.442 56.100 0.015 0.000 0.905 653 R CB 2.431 32.731 30.300 -0.001 0.000 1.144 653 R HN 0.571 nan 8.270 nan 0.000 0.459 654 Q N 2.288 122.078 119.800 -0.017 0.000 2.274 654 Q HA 0.312 4.653 4.340 0.001 0.000 0.268 654 Q C -1.473 174.504 176.000 -0.038 0.000 1.015 654 Q CA -0.645 55.139 55.803 -0.031 0.000 0.775 654 Q CB 2.167 30.885 28.738 -0.034 0.000 1.256 654 Q HN 0.375 nan 8.270 nan 0.000 0.442 655 V N 3.817 123.705 119.914 -0.044 0.000 2.509 655 V HA 0.271 4.391 4.120 0.001 0.000 0.284 655 V C 0.592 176.691 176.094 0.007 0.000 1.047 655 V CA -0.726 61.545 62.300 -0.048 0.000 0.952 655 V CB 1.080 32.865 31.823 -0.064 0.000 0.988 655 V HN 0.690 nan 8.190 nan 0.000 0.469 656 V N 3.012 122.937 119.914 0.018 0.000 2.928 656 V HA 0.180 4.300 4.120 0.001 0.000 0.307 656 V C -2.211 173.997 176.094 0.189 0.000 1.105 656 V CA -1.347 60.985 62.300 0.053 0.000 1.223 656 V CB -0.622 31.112 31.823 -0.149 0.000 0.930 656 V HN 0.769 nan 8.190 nan 0.000 0.499 657 P HA 0.094 nan 4.420 nan 0.000 0.261 657 P C 0.140 177.656 177.300 0.361 0.000 1.183 657 P CA 0.866 64.028 63.100 0.104 0.000 0.761 657 P CB 0.022 31.476 31.700 -0.409 0.000 0.785 658 D N 2.014 122.614 120.400 0.334 0.000 2.708 658 D HA -0.276 4.364 4.640 0.001 0.000 0.236 658 D C 0.391 176.964 176.300 0.456 0.000 1.146 658 D CA 0.589 54.840 54.000 0.418 0.000 0.662 658 D CB -1.501 39.594 40.800 0.491 0.000 1.059 658 D HN 0.454 nan 8.370 nan 0.000 0.428 659 Y N 0.499 120.972 120.300 0.288 0.000 2.165 659 Y HA -0.221 4.329 4.550 0.001 0.000 0.286 659 Y C 2.175 178.183 175.900 0.179 0.000 1.155 659 Y CA 2.725 60.963 58.100 0.229 0.000 1.164 659 Y CB -0.267 38.242 38.460 0.081 0.000 0.978 659 Y HN 0.332 nan 8.280 nan 0.000 0.513 660 E N -0.510 119.752 120.200 0.104 0.000 2.082 660 E HA -0.357 3.994 4.350 0.001 0.000 0.215 660 E C 1.591 178.032 176.600 -0.265 0.000 1.048 660 E CA 2.589 58.892 56.400 -0.161 0.000 0.869 660 E CB -0.402 29.119 29.700 -0.299 0.000 0.773 660 E HN 0.770 nan 8.360 nan 0.000 0.466 661 H N -1.706 117.386 119.070 0.036 0.000 2.563 661 H HA 0.243 4.799 4.556 0.001 0.000 0.264 661 H C 0.758 176.011 175.328 -0.125 0.000 0.957 661 H CA 0.485 56.508 56.048 -0.041 0.000 1.173 661 H CB 0.499 30.244 29.762 -0.028 0.000 1.420 661 H HN 0.125 nan 8.280 nan 0.000 0.551 662 L N 1.156 122.403 121.223 0.039 0.000 2.959 662 L HA 0.081 4.421 4.340 0.001 0.000 0.259 662 L C 1.705 178.593 176.870 0.030 0.000 1.185 662 L CA -0.154 54.667 54.840 -0.032 0.000 0.998 662 L CB 0.032 42.080 42.059 -0.018 0.000 1.337 662 L HN 0.466 nan 8.230 nan 0.000 0.555 663 H N -0.887 118.105 119.070 -0.131 0.000 2.353 663 H HA -0.157 4.399 4.556 0.001 0.000 0.298 663 H C 0.631 176.007 175.328 0.081 0.000 1.103 663 H CA 1.629 57.547 56.048 -0.218 0.000 1.293 663 H CB -0.235 28.962 29.762 -0.942 0.000 1.372 663 H HN 0.327 nan 8.280 nan 0.000 0.501 664 D N 1.149 121.319 120.400 -0.383 0.000 2.277 664 D HA 0.076 4.716 4.640 0.001 0.000 0.208 664 D C 2.280 178.573 176.300 -0.012 0.000 0.962 664 D CA 1.025 54.960 54.000 -0.107 0.000 0.865 664 D CB -0.067 40.616 40.800 -0.195 0.000 0.939 664 D HN 0.540 nan 8.370 nan 0.000 0.510 665 A N 0.299 123.083 122.820 -0.060 0.000 1.897 665 A HA -0.102 4.218 4.320 0.001 0.000 0.215 665 A C 0.765 178.349 177.584 -0.000 0.000 1.181 665 A CA 0.484 52.476 52.037 -0.076 0.000 0.620 665 A CB -0.641 18.245 19.000 -0.190 0.000 0.821 665 A HN 0.095 nan 8.150 nan 0.000 0.443 666 Y N 0.122 120.502 120.300 0.134 0.000 2.607 666 Y HA 0.201 4.751 4.550 0.001 0.000 0.348 666 Y C 0.835 176.830 175.900 0.159 0.000 1.261 666 Y CA 1.003 59.219 58.100 0.193 0.000 1.480 666 Y CB 0.339 38.995 38.460 0.326 0.000 1.358 666 Y HN 0.450 nan 8.280 nan 0.000 0.630 667 E N 3.056 123.449 120.200 0.321 0.000 2.331 667 E HA 0.353 4.704 4.350 0.001 0.000 0.243 667 E C -1.469 175.176 176.600 0.075 0.000 0.925 667 E CA -0.420 56.091 56.400 0.184 0.000 0.760 667 E CB 0.168 29.975 29.700 0.179 0.000 1.254 667 E HN 0.587 nan 8.360 nan 0.000 0.419 668 L N 3.995 125.225 121.223 0.012 0.000 2.482 668 L HA -0.000 4.340 4.340 0.001 0.000 0.273 668 L C 1.712 178.465 176.870 -0.195 0.000 1.228 668 L CA -0.239 54.525 54.840 -0.128 0.000 0.827 668 L CB 0.198 42.138 42.059 -0.198 0.000 1.099 668 L HN 0.727 nan 8.230 nan 0.000 0.494 669 L N 1.519 122.533 121.223 -0.348 0.000 1.990 669 L HA -0.201 4.140 4.340 0.001 0.000 0.213 669 L C 1.668 178.212 176.870 -0.542 0.000 1.072 669 L CA 2.012 56.501 54.840 -0.584 0.000 0.755 669 L CB -0.366 41.167 42.059 -0.876 0.000 0.889 669 L HN 0.555 nan 8.230 nan 0.000 0.432 670 W N -0.059 121.188 121.300 -0.090 0.000 3.180 670 W HA 0.081 4.742 4.660 0.001 0.000 0.254 670 W C 1.914 178.408 176.519 -0.041 0.000 1.318 670 W CA 0.069 57.378 57.345 -0.060 0.000 1.608 670 W CB -0.121 29.312 29.460 -0.045 0.000 1.124 670 W HN 0.276 nan 8.180 nan 0.000 0.694 671 E N 0.252 120.511 120.200 0.098 0.000 2.385 671 E HA 0.015 4.365 4.350 0.001 0.000 0.194 671 E C 0.775 177.412 176.600 0.061 0.000 1.013 671 E CA 0.277 56.727 56.400 0.082 0.000 0.866 671 E CB -0.090 29.650 29.700 0.066 0.000 0.832 671 E HN 0.286 nan 8.360 nan 0.000 0.500 672 M N 2.120 121.732 119.600 0.020 0.000 2.228 672 M HA 0.057 4.538 4.480 0.001 0.000 0.351 672 M C -1.755 174.577 176.300 0.053 0.000 1.233 672 M CA -1.379 53.935 55.300 0.023 0.000 1.129 672 M CB 0.339 32.921 32.600 -0.029 0.000 1.604 672 M HN -0.202 nan 8.290 nan 0.000 0.457 673 P HA 0.086 nan 4.420 nan 0.000 0.225 673 P C 0.394 177.731 177.300 0.062 0.000 1.156 673 P CA 0.587 63.718 63.100 0.052 0.000 0.787 673 P CB 0.377 32.103 31.700 0.044 0.000 0.802 674 G N -1.376 107.465 108.800 0.069 0.000 2.494 674 G HA2 0.093 4.054 3.960 0.001 0.000 0.308 674 G HA3 0.093 4.054 3.960 0.001 0.000 0.308 674 G C -0.366 174.563 174.900 0.048 0.000 1.263 674 G CA -0.373 44.778 45.100 0.085 0.000 0.840 674 G HN -0.192 nan 8.290 nan 0.000 0.479 675 N N 0.176 118.915 118.700 0.065 0.000 2.282 675 N HA 0.046 4.786 4.740 0.001 0.000 0.185 675 N C 0.903 176.516 175.510 0.172 0.000 1.099 675 N CA 0.290 53.384 53.050 0.073 0.000 0.878 675 N CB 0.703 39.211 38.487 0.035 0.000 0.993 675 N HN 0.500 nan 8.380 nan 0.000 0.481 676 D N 1.284 121.779 120.400 0.158 0.000 2.092 676 D HA -0.128 4.512 4.640 0.001 0.000 0.193 676 D C 1.960 178.333 176.300 0.121 0.000 0.994 676 D CA 1.285 55.378 54.000 0.156 0.000 0.828 676 D CB -0.218 40.669 40.800 0.145 0.000 0.963 676 D HN 0.219 nan 8.370 nan 0.000 0.450 677 G N 0.676 109.552 108.800 0.126 0.000 2.631 677 G HA2 -0.364 3.597 3.960 0.001 0.000 0.219 677 G HA3 -0.364 3.597 3.960 0.001 0.000 0.219 677 G C 1.548 176.548 174.900 0.167 0.000 1.214 677 G CA 1.313 46.487 45.100 0.123 0.000 0.785 677 G HN 0.321 nan 8.290 nan 0.000 0.596 678 Y N 1.260 121.634 120.300 0.123 0.000 2.070 678 Y HA -0.121 4.430 4.550 0.001 0.000 0.280 678 Y C 2.770 178.719 175.900 0.082 0.000 1.148 678 Y CA 1.880 60.082 58.100 0.170 0.000 1.125 678 Y CB -0.486 38.076 38.460 0.169 0.000 0.975 678 Y HN 0.131 nan 8.280 nan 0.000 0.492 679 L N 0.224 121.623 121.223 0.294 0.000 2.021 679 L HA -0.370 3.970 4.340 0.001 0.000 0.215 679 L C 2.649 179.473 176.870 -0.078 0.000 1.074 679 L CA 1.944 56.856 54.840 0.120 0.000 0.760 679 L CB -0.839 41.357 42.059 0.228 0.000 0.889 679 L HN 0.413 nan 8.230 nan 0.000 0.433 680 Q N -0.244 119.455 119.800 -0.169 0.000 2.045 680 Q HA -0.251 4.089 4.340 0.001 0.000 0.206 680 Q C 2.399 178.223 176.000 -0.294 0.000 0.991 680 Q CA 1.646 57.203 55.803 -0.410 0.000 0.851 680 Q CB -0.285 28.212 28.738 -0.403 0.000 0.911 680 Q HN 0.532 nan 8.270 nan 0.000 0.418 681 L N 0.079 121.175 121.223 -0.213 0.000 2.043 681 L HA -0.220 4.120 4.340 0.001 0.000 0.212 681 L C 2.439 179.098 176.870 -0.351 0.000 1.075 681 L CA 1.030 55.735 54.840 -0.225 0.000 0.752 681 L CB -0.683 41.292 42.059 -0.139 0.000 0.891 681 L HN 0.156 nan 8.230 nan 0.000 0.432 682 V N 0.234 119.904 119.914 -0.407 0.000 2.295 682 V HA -0.222 3.898 4.120 0.001 0.000 0.246 682 V C 2.677 178.612 176.094 -0.264 0.000 1.049 682 V CA 2.011 64.078 62.300 -0.389 0.000 1.024 682 V CB -1.292 30.323 31.823 -0.347 0.000 0.648 682 V HN 0.579 nan 8.190 nan 0.000 0.447 683 G N -0.008 108.678 108.800 -0.189 0.000 2.446 683 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 683 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 683 G C 1.585 176.383 174.900 -0.171 0.000 1.168 683 G CA 1.234 46.261 45.100 -0.122 0.000 0.771 683 G HN 0.497 nan 8.290 nan 0.000 0.551 684 I N 0.490 120.935 120.570 -0.209 0.000 2.226 684 I HA -0.204 3.967 4.170 0.001 0.000 0.245 684 I C 2.944 178.939 176.117 -0.204 0.000 1.100 684 I CA 1.160 62.354 61.300 -0.177 0.000 1.374 684 I CB -0.164 37.776 38.000 -0.100 0.000 1.057 684 I HN 0.187 nan 8.210 nan 0.000 0.413 685 M N -0.508 118.862 119.600 -0.384 0.000 2.159 685 M HA -0.236 4.244 4.480 0.001 0.000 0.263 685 M C 2.298 178.472 176.300 -0.211 0.000 1.063 685 M CA 1.542 56.487 55.300 -0.592 0.000 1.110 685 M CB -0.412 31.517 32.600 -1.118 0.000 1.374 685 M HN 0.109 nan 8.290 nan 0.000 0.411 686 Q N 1.073 120.769 119.800 -0.174 0.000 2.364 686 Q HA -0.121 4.220 4.340 0.001 0.000 0.207 686 Q C 1.688 177.715 176.000 0.045 0.000 0.970 686 Q CA 1.440 57.215 55.803 -0.048 0.000 0.888 686 Q CB -0.210 28.506 28.738 -0.038 0.000 0.951 686 Q HN 0.396 nan 8.270 nan 0.000 0.469 687 K N -0.939 119.381 120.400 -0.133 0.000 2.009 687 K HA -0.159 4.162 4.320 0.001 0.000 0.210 687 K C 1.028 177.418 176.600 -0.349 0.000 1.049 687 K CA 1.748 57.809 56.287 -0.376 0.000 0.929 687 K CB -0.144 31.752 32.500 -1.007 0.000 0.714 687 K HN 0.284 nan 8.250 nan 0.000 0.440 688 F N 0.623 120.583 119.950 0.017 0.000 2.698 688 F HA 0.171 4.698 4.527 0.001 0.000 0.295 688 F C 0.637 176.503 175.800 0.110 0.000 1.124 688 F CA -0.358 57.690 58.000 0.080 0.000 1.426 688 F CB 0.172 39.241 39.000 0.116 0.000 1.120 688 F HN -0.105 nan 8.300 nan 0.000 0.583 689 I N 1.579 122.274 120.570 0.209 0.000 2.496 689 I HA -0.047 4.124 4.170 0.001 0.000 0.285 689 I C 1.103 177.248 176.117 0.047 0.000 1.080 689 I CA -0.049 61.339 61.300 0.147 0.000 1.404 689 I CB 0.333 38.390 38.000 0.095 0.000 1.403 689 I HN 0.130 nan 8.210 nan 0.000 0.539 690 D N 4.269 124.718 120.400 0.081 0.000 2.117 690 D HA -0.131 4.509 4.640 0.001 0.000 0.197 690 D C 1.333 177.640 176.300 0.012 0.000 0.987 690 D CA 1.457 55.485 54.000 0.047 0.000 0.829 690 D CB 0.529 41.392 40.800 0.105 0.000 0.961 690 D HN 0.603 nan 8.370 nan 0.000 0.460 691 Q N -0.192 119.629 119.800 0.034 0.000 3.073 691 Q HA 0.330 4.671 4.340 0.001 0.000 0.219 691 Q C 0.456 176.458 176.000 0.003 0.000 1.167 691 Q CA -0.316 55.506 55.803 0.030 0.000 0.334 691 Q CB 0.389 29.147 28.738 0.034 0.000 5.769 691 Q HN -0.066 nan 8.270 nan 0.000 0.319 692 S N -1.177 114.520 115.700 -0.005 0.000 2.841 692 S HA 0.679 5.149 4.470 0.001 0.000 0.318 692 S C -1.393 173.190 174.600 -0.028 0.000 1.127 692 S CA -0.654 57.538 58.200 -0.014 0.000 0.883 692 S CB 0.886 64.076 63.200 -0.017 0.000 1.271 692 S HN 0.311 nan 8.310 nan 0.000 0.567 693 I N 1.141 121.689 120.570 -0.037 0.000 2.582 693 I HA 0.317 4.487 4.170 0.001 0.000 0.292 693 I C -0.319 175.766 176.117 -0.053 0.000 1.066 693 I CA -0.208 61.061 61.300 -0.051 0.000 1.053 693 I CB 2.309 40.264 38.000 -0.075 0.000 1.241 693 I HN 0.407 nan 8.210 nan 0.000 0.421 694 S N 5.003 120.654 115.700 -0.082 0.000 3.829 694 S HA 0.382 4.852 4.470 0.001 0.000 0.250 694 S C 0.313 174.965 174.600 0.086 0.000 1.263 694 S CA -0.480 57.647 58.200 -0.122 0.000 0.955 694 S CB -0.499 62.571 63.200 -0.217 0.000 1.611 694 S HN 0.607 nan 8.310 nan 0.000 0.483 695 A N 3.598 126.503 122.820 0.142 0.000 2.327 695 A HA 0.445 4.766 4.320 0.001 0.000 0.283 695 A C 0.362 178.143 177.584 0.329 0.000 1.127 695 A CA -0.731 51.480 52.037 0.291 0.000 0.810 695 A CB 0.443 19.595 19.000 0.253 0.000 1.066 695 A HN 0.680 nan 8.150 nan 0.000 0.492 696 N N 0.313 119.211 118.700 0.329 0.000 2.456 696 N HA 0.514 5.255 4.740 0.001 0.000 0.296 696 N C -0.559 174.985 175.510 0.056 0.000 1.102 696 N CA -0.240 52.913 53.050 0.171 0.000 0.924 696 N CB 1.767 40.288 38.487 0.057 0.000 1.186 696 N HN 0.758 nan 8.380 nan 0.000 0.492 697 T N -0.732 113.873 114.554 0.085 0.000 2.824 697 T HA 0.522 4.873 4.350 0.001 0.000 0.280 697 T C -0.681 173.939 174.700 -0.133 0.000 0.995 697 T CA -0.966 61.126 62.100 -0.014 0.000 1.009 697 T CB 0.869 69.847 68.868 0.184 0.000 0.955 697 T HN 0.405 nan 8.240 nan 0.000 0.452 698 N N 1.223 119.682 118.700 -0.403 0.000 2.258 698 N HA 0.592 5.332 4.740 0.001 0.000 0.299 698 N C -1.803 173.458 175.510 -0.416 0.000 1.047 698 N CA -0.750 52.146 53.050 -0.257 0.000 0.814 698 N CB 1.428 39.702 38.487 -0.355 0.000 1.413 698 N HN 0.656 nan 8.380 nan 0.000 0.478 699 Y N -0.623 119.923 120.300 0.410 0.000 2.477 699 Y HA 0.442 4.992 4.550 0.001 0.000 0.347 699 Y C -0.782 175.311 175.900 0.323 0.000 0.981 699 Y CA -0.992 57.331 58.100 0.371 0.000 1.033 699 Y CB 2.027 40.605 38.460 0.197 0.000 1.245 699 Y HN 0.396 nan 8.280 nan 0.000 0.455 700 D N 3.366 124.024 120.400 0.430 0.000 2.492 700 D HA 0.366 5.006 4.640 0.001 0.000 0.248 700 D C -2.303 174.150 176.300 0.255 0.000 1.101 700 D CA -2.701 51.345 54.000 0.076 0.000 0.840 700 D CB 2.511 43.315 40.800 0.007 0.000 1.209 700 D HN 0.147 nan 8.370 nan 0.000 0.524 701 P HA -0.035 nan 4.420 nan 0.000 0.219 701 P C 1.299 178.707 177.300 0.181 0.000 1.150 701 P CA 0.570 63.796 63.100 0.210 0.000 0.814 701 P CB 0.351 32.089 31.700 0.064 0.000 0.787 702 S N 0.164 115.894 115.700 0.051 0.000 2.392 702 S HA -0.189 4.281 4.470 0.001 0.000 0.232 702 S C 1.769 176.364 174.600 -0.008 0.000 1.041 702 S CA 1.197 59.404 58.200 0.011 0.000 1.026 702 S CB -0.725 62.454 63.200 -0.034 0.000 0.845 702 S HN 0.253 nan 8.310 nan 0.000 0.465 703 R N -0.121 120.343 120.500 -0.060 0.000 2.316 703 R HA 0.093 4.433 4.340 0.001 0.000 0.202 703 R C -0.576 175.390 176.300 -0.558 0.000 1.029 703 R CA 0.501 56.414 56.100 -0.312 0.000 1.018 703 R CB -0.195 29.836 30.300 -0.447 0.000 0.888 703 R HN 0.360 nan 8.270 nan 0.000 0.471 704 F N 0.949 120.922 119.950 0.038 0.000 2.546 704 F HA 0.356 4.883 4.527 0.001 0.000 0.320 704 F C -1.903 173.909 175.800 0.020 0.000 1.076 704 F CA -3.432 54.589 58.000 0.035 0.000 0.928 704 F CB 1.030 40.052 39.000 0.037 0.000 1.189 704 F HN -0.221 nan 8.300 nan 0.000 0.465 705 P HA -0.002 nan 4.420 nan 0.000 0.261 705 P C 0.137 177.501 177.300 0.106 0.000 1.183 705 P CA 0.573 63.741 63.100 0.112 0.000 0.761 705 P CB 0.965 32.721 31.700 0.092 0.000 0.785 706 S N 2.023 117.765 115.700 0.070 0.000 3.382 706 S HA -0.181 4.289 4.470 0.001 0.000 0.293 706 S C 1.193 175.826 174.600 0.055 0.000 1.262 706 S CA 1.381 59.612 58.200 0.051 0.000 0.969 706 S CB -2.036 61.188 63.200 0.040 0.000 1.136 706 S HN 1.121 nan 8.310 nan 0.000 0.635 707 G N 0.399 109.250 108.800 0.085 0.000 2.203 707 G HA2 -0.339 3.622 3.960 0.001 0.000 0.263 707 G HA3 -0.339 3.622 3.960 0.001 0.000 0.263 707 G C -0.290 174.649 174.900 0.066 0.000 1.012 707 G CA 1.017 46.170 45.100 0.087 0.000 0.749 707 G HN 0.712 nan 8.290 nan 0.000 0.512 708 K N -0.052 120.381 120.400 0.055 0.000 2.244 708 K HA 0.598 4.918 4.320 0.001 0.000 0.260 708 K C 0.130 176.618 176.600 -0.186 0.000 0.951 708 K CA -1.030 55.232 56.287 -0.042 0.000 0.826 708 K CB 2.826 35.305 32.500 -0.034 0.000 1.108 708 K HN 0.059 nan 8.250 nan 0.000 0.433 709 V N 3.479 123.171 119.914 -0.371 0.000 2.488 709 V HA 0.163 4.283 4.120 0.001 0.000 0.277 709 V C -1.901 173.891 176.094 -0.503 0.000 1.046 709 V CA -1.740 60.070 62.300 -0.816 0.000 0.986 709 V CB -0.065 31.303 31.823 -0.760 0.000 0.989 709 V HN 0.690 nan 8.190 nan 0.000 0.475 710 P HA 0.194 nan 4.420 nan 0.000 0.271 710 P C 0.483 177.665 177.300 -0.196 0.000 1.216 710 P CA -0.551 62.427 63.100 -0.203 0.000 0.776 710 P CB 0.678 32.335 31.700 -0.071 0.000 0.881 711 M N 2.255 121.788 119.600 -0.112 0.000 2.296 711 M HA -0.154 4.326 4.480 0.001 0.000 0.265 711 M C 1.877 178.152 176.300 -0.042 0.000 1.064 711 M CA 1.767 57.021 55.300 -0.078 0.000 1.109 711 M CB -0.810 31.770 32.600 -0.032 0.000 1.396 711 M HN 0.292 nan 8.290 nan 0.000 0.430 712 Q N -0.051 119.735 119.800 -0.024 0.000 2.061 712 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 712 Q C 2.148 178.163 176.000 0.026 0.000 0.984 712 Q CA 2.253 58.062 55.803 0.010 0.000 0.846 712 Q CB -0.334 28.421 28.738 0.028 0.000 0.902 712 Q HN 0.640 nan 8.270 nan 0.000 0.421 713 Q N -0.271 119.536 119.800 0.011 0.000 2.084 713 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 713 Q C 1.903 177.935 176.000 0.053 0.000 0.978 713 Q CA 1.549 57.397 55.803 0.074 0.000 0.844 713 Q CB -0.320 28.484 28.738 0.110 0.000 0.898 713 Q HN 0.514 nan 8.270 nan 0.000 0.426 714 L N -0.415 120.748 121.223 -0.099 0.000 2.042 714 L HA -0.220 4.121 4.340 0.001 0.000 0.210 714 L C 2.304 179.217 176.870 0.072 0.000 1.076 714 L CA 1.162 55.959 54.840 -0.072 0.000 0.749 714 L CB -0.532 41.439 42.059 -0.147 0.000 0.893 714 L HN 0.283 nan 8.230 nan 0.000 0.432 715 L N -0.276 120.981 121.223 0.056 0.000 2.109 715 L HA -0.178 4.162 4.340 0.001 0.000 0.207 715 L C 2.648 179.558 176.870 0.067 0.000 1.086 715 L CA 0.991 55.871 54.840 0.067 0.000 0.760 715 L CB -0.408 41.665 42.059 0.024 0.000 0.910 715 L HN 0.219 nan 8.230 nan 0.000 0.437 716 K N 0.471 120.917 120.400 0.077 0.000 2.026 716 K HA -0.199 4.121 4.320 0.001 0.000 0.208 716 K C 1.617 178.294 176.600 0.127 0.000 1.048 716 K CA 1.827 58.166 56.287 0.086 0.000 0.929 716 K CB -0.128 32.431 32.500 0.098 0.000 0.713 716 K HN 0.106 nan 8.250 nan 0.000 0.439 717 D N 0.527 121.041 120.400 0.190 0.000 2.123 717 D HA -0.163 4.477 4.640 0.001 0.000 0.196 717 D C 1.838 178.268 176.300 0.217 0.000 0.992 717 D CA 1.069 55.212 54.000 0.239 0.000 0.833 717 D CB -0.298 40.715 40.800 0.354 0.000 0.954 717 D HN 0.203 nan 8.370 nan 0.000 0.455 718 L N 0.490 121.834 121.223 0.202 0.000 1.989 718 L HA -0.153 4.187 4.340 0.001 0.000 0.211 718 L C 2.140 179.069 176.870 0.099 0.000 1.071 718 L CA 1.557 56.518 54.840 0.201 0.000 0.749 718 L CB -0.556 41.646 42.059 0.239 0.000 0.890 718 L HN 0.025 nan 8.230 nan 0.000 0.431 719 L N -1.501 119.728 121.223 0.010 0.000 2.093 719 L HA -0.175 4.166 4.340 0.001 0.000 0.208 719 L C 2.343 179.209 176.870 -0.007 0.000 1.085 719 L CA 1.481 56.259 54.840 -0.104 0.000 0.755 719 L CB -1.086 40.897 42.059 -0.126 0.000 0.904 719 L HN 0.266 nan 8.230 nan 0.000 0.435 720 T N 0.167 114.764 114.554 0.073 0.000 2.635 720 T HA -0.263 4.088 4.350 0.001 0.000 0.267 720 T C 2.060 176.879 174.700 0.197 0.000 1.040 720 T CA 1.605 63.788 62.100 0.137 0.000 1.156 720 T CB -0.325 68.683 68.868 0.234 0.000 0.863 720 T HN 0.469 nan 8.240 nan 0.000 0.430 721 A N 0.392 123.340 122.820 0.212 0.000 1.883 721 A HA -0.152 4.168 4.320 0.001 0.000 0.217 721 A C 2.123 179.824 177.584 0.196 0.000 1.186 721 A CA 1.924 54.098 52.037 0.229 0.000 0.624 721 A CB -1.120 18.023 19.000 0.238 0.000 0.822 721 A HN 0.635 nan 8.150 nan 0.000 0.444 722 Y N 0.636 120.949 120.300 0.022 0.000 2.200 722 Y HA -0.199 4.351 4.550 0.001 0.000 0.290 722 Y C 2.369 178.298 175.900 0.048 0.000 1.137 722 Y CA 2.356 60.471 58.100 0.025 0.000 1.163 722 Y CB -0.208 38.051 38.460 -0.335 0.000 0.988 722 Y HN 0.348 nan 8.280 nan 0.000 0.518 723 K N -0.561 119.842 120.400 0.006 0.000 2.211 723 K HA -0.175 4.145 4.320 0.001 0.000 0.204 723 K C 0.496 176.827 176.600 -0.448 0.000 1.047 723 K CA 1.575 57.718 56.287 -0.241 0.000 0.935 723 K CB -0.441 31.837 32.500 -0.369 0.000 0.728 723 K HN 0.311 nan 8.250 nan 0.000 0.452 724 F N 0.725 120.627 119.950 -0.080 0.000 2.730 724 F HA 0.321 4.849 4.527 0.001 0.000 0.295 724 F C 1.004 176.672 175.800 -0.221 0.000 1.143 724 F CA -0.018 57.909 58.000 -0.121 0.000 1.367 724 F CB 0.643 39.603 39.000 -0.067 0.000 0.970 724 F HN 0.214 nan 8.300 nan 0.000 0.514 725 G N 0.833 109.453 108.800 -0.300 0.000 2.283 725 G HA2 -0.275 3.685 3.960 0.001 0.000 0.280 725 G HA3 -0.275 3.685 3.960 0.001 0.000 0.280 725 G C 0.101 174.864 174.900 -0.228 0.000 1.029 725 G CA 0.119 44.841 45.100 -0.631 0.000 0.840 725 G HN 0.189 nan 8.290 nan 0.000 0.505 726 V N -0.250 119.669 119.914 0.008 0.000 2.521 726 V HA 0.159 4.279 4.120 0.001 0.000 0.286 726 V C 1.720 177.926 176.094 0.186 0.000 1.034 726 V CA 0.935 63.292 62.300 0.095 0.000 1.045 726 V CB 1.378 33.281 31.823 0.134 0.000 0.974 726 V HN 0.489 nan 8.190 nan 0.000 0.480 727 K N 2.073 122.557 120.400 0.140 0.000 2.044 727 K HA 0.009 4.329 4.320 0.001 0.000 0.204 727 K C 0.861 177.560 176.600 0.165 0.000 1.049 727 K CA 1.268 57.655 56.287 0.166 0.000 0.945 727 K CB 0.102 32.665 32.500 0.104 0.000 0.724 727 K HN 0.921 nan 8.250 nan 0.000 0.440 728 T N -2.234 112.403 114.554 0.138 0.000 2.907 728 T HA 0.614 4.964 4.350 0.001 0.000 0.290 728 T C -0.765 174.039 174.700 0.174 0.000 1.066 728 T CA -0.979 61.213 62.100 0.154 0.000 1.012 728 T CB 1.568 70.493 68.868 0.096 0.000 1.184 728 T HN -0.103 nan 8.240 nan 0.000 0.522 729 L N 1.689 123.037 121.223 0.208 0.000 2.476 729 L HA 0.452 4.792 4.340 0.001 0.000 0.269 729 L C -1.053 175.964 176.870 0.246 0.000 0.965 729 L CA -0.918 54.066 54.840 0.241 0.000 0.845 729 L CB 2.040 44.268 42.059 0.282 0.000 1.259 729 L HN 0.740 nan 8.230 nan 0.000 0.403 730 Y N 3.312 123.601 120.300 -0.018 0.000 2.979 730 Y HA 0.314 4.864 4.550 0.001 0.000 0.458 730 Y C 0.266 176.190 175.900 0.040 0.000 1.310 730 Y CA -0.498 57.414 58.100 -0.314 0.000 1.777 730 Y CB 0.124 38.334 38.460 -0.417 0.000 1.606 730 Y HN 0.287 nan 8.280 nan 0.000 0.769 731 Y N 1.742 121.845 120.300 -0.328 0.000 2.709 731 Y HA 0.056 4.606 4.550 0.001 0.000 0.348 731 Y C 0.551 176.488 175.900 0.062 0.000 1.267 731 Y CA 0.334 58.337 58.100 -0.162 0.000 1.486 731 Y CB -0.123 38.162 38.460 -0.292 0.000 1.356 731 Y HN 0.272 nan 8.280 nan 0.000 0.639 732 Q N 3.126 123.107 119.800 0.302 0.000 2.325 732 Q HA 0.338 4.679 4.340 0.001 0.000 0.270 732 Q C -1.513 174.596 176.000 0.181 0.000 1.020 732 Q CA -0.914 55.037 55.803 0.246 0.000 0.785 732 Q CB 0.708 29.617 28.738 0.284 0.000 1.259 732 Q HN 0.644 nan 8.270 nan 0.000 0.452 733 N N 2.422 121.223 118.700 0.168 0.000 2.443 733 N HA 0.435 5.176 4.740 0.001 0.000 0.295 733 N C -1.193 174.527 175.510 0.350 0.000 1.076 733 N CA -0.282 52.886 53.050 0.197 0.000 0.919 733 N CB 2.035 40.639 38.487 0.195 0.000 1.176 733 N HN 0.452 nan 8.380 nan 0.000 0.487 734 T N 1.758 116.464 114.554 0.253 0.000 2.824 734 T HA 0.690 5.041 4.350 0.001 0.000 0.282 734 T C 0.144 174.815 174.700 -0.048 0.000 0.993 734 T CA -0.627 61.567 62.100 0.157 0.000 0.967 734 T CB 1.679 70.606 68.868 0.098 0.000 0.960 734 T HN 0.468 nan 8.240 nan 0.000 0.441 735 R N 0.974 121.235 120.500 -0.399 0.000 4.133 735 R HA -0.023 4.318 4.340 0.001 0.000 0.228 735 R C -1.413 174.013 176.300 -1.456 0.000 0.870 735 R CA -0.322 55.406 56.100 -0.619 0.000 0.769 735 R CB -0.302 29.805 30.300 -0.322 0.000 1.411 735 R HN 0.882 nan 8.270 nan 0.000 0.484 736 D N -1.331 118.428 120.400 -1.067 0.000 2.527 736 D HA 0.271 4.911 4.640 0.001 0.000 0.224 736 D C 0.357 176.279 176.300 -0.630 0.000 1.217 736 D CA 0.158 53.549 54.000 -1.016 0.000 0.819 736 D CB 1.613 42.157 40.800 -0.426 0.000 1.061 736 D HN 0.678 nan 8.370 nan 0.000 0.515 737 G N 0.263 108.775 108.800 -0.481 0.000 4.132 737 G HA2 0.613 4.574 3.960 0.001 0.000 0.269 737 G HA3 0.613 4.574 3.960 0.001 0.000 0.269 737 G C -0.131 174.797 174.900 0.046 0.000 2.594 737 G CA -0.010 45.062 45.100 -0.046 0.000 0.600 737 G HN 0.743 nan 8.290 nan 0.000 0.341 738 A N 0.000 122.996 122.820 0.294 0.000 2.254 738 A HA 0.000 4.320 4.320 0.001 0.000 0.244 738 A CA 0.000 52.203 52.037 0.276 0.000 0.836 738 A CB 0.000 19.062 19.000 0.104 0.000 0.831 738 A HN 0.000 nan 8.150 nan 0.000 0.486