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 3fuk_1_A DATA FIRST_RESID 3 DATA SEQUENCE IVDTCSLASP ASVCRTKHLH LRCSVDFTRR TLTGTAALTV QSQEDNLRSL DATA SEQUENCE VLDTKDLTIE KVVINGQEVK YALGERQSYK GSPMEISLPI ALSKNQEIVI DATA SEQUENCE EISFETSPKS SALQWLTPEQ TSGKEHPYLF SQCQAIHCRA ILPCQDTPSV DATA SEQUENCE KLTYTAEVSV PKELVALMSA IRDGETPDPE DPSRKIYKFI QKVPIPCYLI DATA SEQUENCE ALVVGALESR QIGPRTLVWS EKEQVEKSAY EFSETESMLK IAEDLGGPYV DATA SEQUENCE WGQYDLLVLP PSFPYGGMEN PCLTFVTPTL LAGDKSLSNV IAHEISHSWT DATA SEQUENCE GNLVTNKTWD HFWLNEGHTV YLERHICGRL FGEKFRHFNA LGGWGELQNS DATA SEQUENCE VKTFGETHPF TKLVVDLTDI DPDVAYSSVP YEKGFALLFY LEQLLGGPEI DATA SEQUENCE FLGFLKAYVE KFSYKSITTD DWKDFLYSYF KDKVDVLNQV DWNAWLYSPG DATA SEQUENCE LPPIKPNYDM TLTNACIALS QRWITAKEDD LNSFNATDLK DLSSHQLNEF DATA SEQUENCE LAQTLQRAPL PLGHIKRMQE VYNFNAINNS EIRFRWLRLC IQSKWEDAIP DATA SEQUENCE LALKMATEQG RMKFTRPLFK DLAAFDKSHD QAVRTYQEHK ASMHPVTAML DATA SEQUENCE VGKDLKVD 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.141 176.117 0.040 0.000 1.063 3 I CA 0.000 61.326 61.300 0.043 0.000 1.566 3 I CB 0.000 38.029 38.000 0.048 0.000 1.214 4 V N 5.687 125.631 119.914 0.051 0.000 2.439 4 V HA 0.386 4.502 4.120 -0.007 0.000 0.282 4 V C -0.021 176.106 176.094 0.054 0.000 1.039 4 V CA -0.323 62.004 62.300 0.044 0.000 0.913 4 V CB 1.422 33.271 31.823 0.043 0.000 0.983 4 V HN 0.704 nan 8.190 nan 0.000 0.460 5 D N 3.640 124.066 120.400 0.043 0.000 2.393 5 D HA 0.068 4.704 4.640 -0.007 0.000 0.232 5 D C 1.354 177.697 176.300 0.072 0.000 1.192 5 D CA -0.015 54.017 54.000 0.053 0.000 0.882 5 D CB 1.409 42.226 40.800 0.028 0.000 1.038 5 D HN 0.765 nan 8.370 nan 0.000 0.499 6 T N -0.147 114.460 114.554 0.088 0.000 3.160 6 T HA -0.039 4.307 4.350 -0.007 0.000 0.257 6 T C 1.666 176.432 174.700 0.110 0.000 1.147 6 T CA 0.045 62.197 62.100 0.087 0.000 1.064 6 T CB -0.421 68.499 68.868 0.085 0.000 0.949 6 T HN 0.404 nan 8.240 nan 0.000 0.526 7 C N 0.995 120.382 119.300 0.145 0.000 2.673 7 C HA 0.456 4.911 4.460 -0.007 0.000 0.264 7 C C 1.424 176.484 174.990 0.116 0.000 1.304 7 C CA -0.542 58.580 59.018 0.172 0.000 1.727 7 C CB -0.787 27.113 27.740 0.267 0.000 1.932 7 C HN 0.626 nan 8.230 nan 0.000 0.563 8 S N -0.118 115.636 115.700 0.090 0.000 2.549 8 S HA 0.628 5.094 4.470 -0.007 0.000 0.297 8 S C 0.262 174.878 174.600 0.025 0.000 1.115 8 S CA -0.537 57.697 58.200 0.056 0.000 1.059 8 S CB 0.670 63.906 63.200 0.059 0.000 1.046 8 S HN 0.414 nan 8.310 nan 0.000 0.506 9 L N 2.871 124.098 121.223 0.006 0.000 2.640 9 L HA 0.408 4.743 4.340 -0.007 0.000 0.230 9 L C 1.220 178.091 176.870 0.002 0.000 1.123 9 L CA -0.245 54.594 54.840 -0.003 0.000 0.900 9 L CB -0.444 41.604 42.059 -0.019 0.000 1.146 9 L HN 0.663 nan 8.230 nan 0.000 0.484 10 A N 0.091 122.914 122.820 0.005 0.000 2.327 10 A HA 0.399 4.715 4.320 -0.007 0.000 0.255 10 A C 0.623 178.212 177.584 0.007 0.000 1.099 10 A CA -0.206 51.834 52.037 0.004 0.000 0.801 10 A CB 0.245 19.246 19.000 0.001 0.000 1.062 10 A HN 0.183 nan 8.150 nan 0.000 0.496 11 S N 2.360 118.064 115.700 0.006 0.000 2.552 11 S HA 0.272 4.737 4.470 -0.007 0.000 0.289 11 S C -1.993 172.612 174.600 0.008 0.000 1.304 11 S CA -0.379 57.825 58.200 0.008 0.000 1.063 11 S CB -0.146 63.059 63.200 0.008 0.000 0.848 11 S HN 0.649 nan 8.310 nan 0.000 0.499 12 P HA 0.257 nan 4.420 nan 0.000 0.276 12 P C 0.356 177.660 177.300 0.006 0.000 1.261 12 P CA -0.497 62.608 63.100 0.008 0.000 0.800 12 P CB 0.648 32.354 31.700 0.010 0.000 1.066 13 A N 1.292 124.114 122.820 0.003 0.000 2.024 13 A HA -0.173 4.143 4.320 -0.007 0.000 0.220 13 A C 2.154 179.740 177.584 0.003 0.000 1.164 13 A CA 2.214 54.252 52.037 0.001 0.000 0.643 13 A CB -1.736 17.262 19.000 -0.003 0.000 0.806 13 A HN 0.667 nan 8.150 nan 0.000 0.451 14 S N -0.955 114.748 115.700 0.005 0.000 2.447 14 S HA -0.036 4.430 4.470 -0.007 0.000 0.233 14 S C 1.565 176.168 174.600 0.006 0.000 1.006 14 S CA 1.265 59.468 58.200 0.006 0.000 0.957 14 S CB -0.364 62.840 63.200 0.007 0.000 0.773 14 S HN 0.241 nan 8.310 nan 0.000 0.507 15 V N 1.010 120.928 119.914 0.007 0.000 2.436 15 V HA 0.208 4.324 4.120 -0.007 0.000 0.240 15 V C 1.276 177.375 176.094 0.007 0.000 1.040 15 V CA 0.817 63.121 62.300 0.007 0.000 1.052 15 V CB -0.104 31.724 31.823 0.008 0.000 0.707 15 V HN 0.927 nan 8.190 nan 0.000 0.469 16 C N -0.568 118.736 119.300 0.007 0.000 3.288 16 C HA 0.807 5.263 4.460 -0.007 0.000 0.318 16 C C -0.878 174.116 174.990 0.007 0.000 1.356 16 C CA -1.302 57.720 59.018 0.007 0.000 1.359 16 C CB 1.671 29.417 27.740 0.009 0.000 1.688 16 C HN 0.423 nan 8.230 nan 0.000 0.467 17 R N 0.766 121.271 120.500 0.008 0.000 2.514 17 R HA 0.595 4.931 4.340 -0.007 0.000 0.296 17 R C -0.834 175.475 176.300 0.015 0.000 1.012 17 R CA -0.267 55.838 56.100 0.009 0.000 0.897 17 R CB 2.198 32.503 30.300 0.008 0.000 1.184 17 R HN 0.858 nan 8.270 nan 0.000 0.440 18 T N 3.772 118.334 114.554 0.014 0.000 2.817 18 T HA 0.054 4.399 4.350 -0.007 0.000 0.295 18 T C 1.065 175.786 174.700 0.035 0.000 0.958 18 T CA -0.121 61.992 62.100 0.022 0.000 1.157 18 T CB 0.673 69.546 68.868 0.008 0.000 0.898 18 T HN 0.268 nan 8.240 nan 0.000 0.536 19 K N 1.608 122.042 120.400 0.057 0.000 2.276 19 K HA 0.115 4.431 4.320 -0.007 0.000 0.198 19 K C 0.498 177.190 176.600 0.153 0.000 1.052 19 K CA 0.675 57.010 56.287 0.078 0.000 0.984 19 K CB 0.241 32.778 32.500 0.063 0.000 0.836 19 K HN 0.738 nan 8.250 nan 0.000 0.490 20 H N -1.154 117.940 119.070 0.040 0.000 3.079 20 H HA 0.429 4.981 4.556 -0.007 0.000 0.356 20 H C -2.023 173.355 175.328 0.085 0.000 1.221 20 H CA -0.958 55.132 56.048 0.070 0.000 1.185 20 H CB 1.342 31.142 29.762 0.064 0.000 1.882 20 H HN -0.099 nan 8.280 nan 0.000 0.543 21 L N 3.928 124.904 121.223 -0.411 0.000 2.349 21 L HA 0.412 4.748 4.340 -0.007 0.000 0.278 21 L C -1.464 175.284 176.870 -0.203 0.000 0.996 21 L CA -0.471 54.251 54.840 -0.197 0.000 0.825 21 L CB 1.048 43.014 42.059 -0.156 0.000 1.243 21 L HN 0.829 nan 8.230 nan 0.000 0.412 22 H N 4.645 123.724 119.070 0.014 0.000 2.581 22 H HA 0.570 5.121 4.556 -0.007 0.000 0.308 22 H C -1.411 173.978 175.328 0.101 0.000 1.040 22 H CA -0.444 55.675 56.048 0.118 0.000 1.231 22 H CB 1.220 31.105 29.762 0.205 0.000 1.396 22 H HN 0.698 nan 8.280 nan 0.000 0.467 23 L N 5.663 126.677 121.223 -0.347 0.000 2.272 23 L HA 0.467 4.803 4.340 -0.007 0.000 0.289 23 L C -0.712 175.980 176.870 -0.296 0.000 1.032 23 L CA -0.342 54.377 54.840 -0.203 0.000 0.810 23 L CB 0.787 42.789 42.059 -0.094 0.000 1.205 23 L HN 0.714 nan 8.230 nan 0.000 0.422 24 R N 5.703 126.117 120.500 -0.144 0.000 2.371 24 R HA 0.660 4.995 4.340 -0.007 0.000 0.312 24 R C -1.281 175.002 176.300 -0.029 0.000 0.980 24 R CA -0.401 55.662 56.100 -0.062 0.000 0.867 24 R CB 0.653 30.970 30.300 0.028 0.000 1.163 24 R HN 0.951 nan 8.270 nan 0.000 0.492 25 C N 0.135 119.426 119.300 -0.016 0.000 3.285 25 C HA 0.824 5.280 4.460 -0.007 0.000 0.320 25 C C -0.654 174.329 174.990 -0.012 0.000 1.411 25 C CA -0.936 58.051 59.018 -0.051 0.000 1.429 25 C CB 1.786 29.497 27.740 -0.048 0.000 1.812 25 C HN 0.682 nan 8.230 nan 0.000 0.454 26 S N -0.007 115.673 115.700 -0.033 0.000 2.538 26 S HA 0.714 5.179 4.470 -0.007 0.000 0.288 26 S C -1.171 173.434 174.600 0.008 0.000 1.108 26 S CA -0.331 57.872 58.200 0.006 0.000 0.971 26 S CB 1.342 64.541 63.200 -0.002 0.000 1.041 26 S HN 1.021 nan 8.310 nan 0.000 0.483 27 V N 4.668 124.602 119.914 0.035 0.000 2.364 27 V HA 0.381 4.497 4.120 -0.007 0.000 0.272 27 V C -0.237 175.866 176.094 0.015 0.000 1.036 27 V CA -0.605 61.699 62.300 0.006 0.000 0.880 27 V CB 1.227 32.998 31.823 -0.086 0.000 0.991 27 V HN 0.848 nan 8.190 nan 0.000 0.460 28 D N 3.979 124.378 120.400 -0.002 0.000 2.454 28 D HA 0.308 4.943 4.640 -0.007 0.000 0.225 28 D C 0.486 176.703 176.300 -0.138 0.000 1.081 28 D CA -0.427 53.556 54.000 -0.027 0.000 0.864 28 D CB 0.959 41.722 40.800 -0.063 0.000 1.040 28 D HN 0.349 nan 8.370 nan 0.000 0.517 29 F N 1.174 121.181 119.950 0.094 0.000 2.407 29 F HA -0.079 4.444 4.527 -0.007 0.000 0.299 29 F C 2.421 178.170 175.800 -0.084 0.000 1.097 29 F CA 0.729 58.776 58.000 0.080 0.000 1.422 29 F CB 0.026 39.150 39.000 0.208 0.000 1.067 29 F HN 0.302 nan 8.300 nan 0.000 0.539 30 T N -0.422 114.183 114.554 0.084 0.000 2.737 30 T HA -0.115 4.230 4.350 -0.007 0.000 0.265 30 T C 1.991 176.625 174.700 -0.111 0.000 1.038 30 T CA 1.120 63.221 62.100 0.002 0.000 1.144 30 T CB -0.143 68.732 68.868 0.012 0.000 0.866 30 T HN 0.203 nan 8.240 nan 0.000 0.434 31 R N 0.292 120.684 120.500 -0.180 0.000 2.280 31 R HA 0.264 4.599 4.340 -0.007 0.000 0.195 31 R C 0.266 176.288 176.300 -0.463 0.000 0.935 31 R CA -0.052 55.901 56.100 -0.245 0.000 1.033 31 R CB 0.182 30.374 30.300 -0.180 0.000 0.964 31 R HN 0.274 nan 8.270 nan 0.000 0.489 32 R N 1.221 121.244 120.500 -0.795 0.000 3.336 32 R HA -0.126 4.210 4.340 -0.007 0.000 0.260 32 R C -0.661 174.850 176.300 -1.315 0.000 1.032 32 R CA 1.111 56.133 56.100 -1.795 0.000 0.693 32 R CB -2.079 27.374 30.300 -1.412 0.000 1.134 32 R HN 0.381 nan 8.270 nan 0.000 0.433 33 T N -2.573 111.567 114.554 -0.691 0.000 2.906 33 T HA 0.660 5.006 4.350 -0.007 0.000 0.295 33 T C -0.184 174.577 174.700 0.103 0.000 1.061 33 T CA -1.099 60.918 62.100 -0.139 0.000 1.000 33 T CB 2.543 71.334 68.868 -0.128 0.000 1.103 33 T HN 0.226 nan 8.240 nan 0.000 0.486 34 L N 1.855 123.180 121.223 0.171 0.000 2.295 34 L HA 0.739 5.074 4.340 -0.007 0.000 0.285 34 L C -0.840 175.984 176.870 -0.077 0.000 1.035 34 L CA -0.148 54.743 54.840 0.084 0.000 0.806 34 L CB 1.499 43.635 42.059 0.129 0.000 1.214 34 L HN 0.935 nan 8.230 nan 0.000 0.426 35 T N 3.900 118.348 114.554 -0.176 0.000 2.848 35 T HA 0.870 5.216 4.350 -0.007 0.000 0.285 35 T C -0.064 174.386 174.700 -0.417 0.000 0.995 35 T CA -0.130 61.772 62.100 -0.330 0.000 0.970 35 T CB 1.717 70.470 68.868 -0.191 0.000 0.976 35 T HN 1.011 nan 8.240 nan 0.000 0.441 36 G N 1.644 110.026 108.800 -0.697 0.000 2.399 36 G HA2 0.506 4.462 3.960 -0.007 0.000 0.256 36 G HA3 0.506 4.462 3.960 -0.007 0.000 0.256 36 G C -1.095 173.526 174.900 -0.465 0.000 1.236 36 G CA -0.221 44.602 45.100 -0.461 0.000 0.914 36 G HN 0.941 nan 8.290 nan 0.000 0.482 37 T N -1.901 112.586 114.554 -0.113 0.000 2.863 37 T HA 0.806 5.152 4.350 -0.007 0.000 0.285 37 T C -0.291 174.576 174.700 0.278 0.000 1.009 37 T CA 0.217 62.388 62.100 0.117 0.000 0.989 37 T CB 1.895 70.814 68.868 0.084 0.000 1.004 37 T HN 1.968 nan 8.240 nan 0.000 0.455 38 A N 2.014 125.043 122.820 0.349 0.000 2.273 38 A HA 0.803 5.118 4.320 -0.007 0.000 0.315 38 A C 0.253 177.900 177.584 0.105 0.000 1.256 38 A CA -0.929 51.209 52.037 0.168 0.000 0.851 38 A CB 0.225 19.231 19.000 0.009 0.000 1.172 38 A HN 1.386 nan 8.150 nan 0.000 0.508 39 A N 3.679 126.573 122.820 0.122 0.000 2.260 39 A HA 0.623 4.939 4.320 -0.007 0.000 0.312 39 A C -0.379 177.270 177.584 0.109 0.000 1.321 39 A CA -0.285 51.828 52.037 0.127 0.000 0.928 39 A CB -0.158 18.952 19.000 0.184 0.000 1.158 39 A HN 0.805 nan 8.150 nan 0.000 0.542 40 L N 2.747 124.009 121.223 0.066 0.000 2.264 40 L HA 0.336 4.671 4.340 -0.007 0.000 0.289 40 L C 0.159 177.073 176.870 0.073 0.000 1.044 40 L CA -0.326 54.546 54.840 0.053 0.000 0.807 40 L CB 1.581 43.647 42.059 0.012 0.000 1.192 40 L HN 0.597 nan 8.230 nan 0.000 0.425 41 T N 3.190 117.807 114.554 0.105 0.000 2.729 41 T HA 0.370 4.715 4.350 -0.007 0.000 0.296 41 T C 0.036 174.773 174.700 0.062 0.000 0.928 41 T CA -0.299 61.853 62.100 0.088 0.000 1.045 41 T CB 0.913 69.849 68.868 0.114 0.000 0.902 41 T HN 0.193 nan 8.240 nan 0.000 0.500 42 V N 4.267 124.205 119.914 0.040 0.000 2.495 42 V HA 0.424 4.539 4.120 -0.007 0.000 0.298 42 V C -0.014 176.092 176.094 0.021 0.000 1.031 42 V CA -0.953 61.364 62.300 0.027 0.000 0.871 42 V CB 1.857 33.692 31.823 0.020 0.000 0.988 42 V HN 0.793 nan 8.190 nan 0.000 0.432 43 Q N 2.540 122.351 119.800 0.017 0.000 2.314 43 Q HA 0.442 4.778 4.340 -0.007 0.000 0.259 43 Q C -0.057 175.948 176.000 0.009 0.000 0.951 43 Q CA -0.213 55.597 55.803 0.011 0.000 0.909 43 Q CB 1.533 30.276 28.738 0.009 0.000 1.236 43 Q HN 0.830 nan 8.270 nan 0.000 0.444 44 S N 2.982 118.687 115.700 0.008 0.000 2.549 44 S HA 0.039 4.504 4.470 -0.007 0.000 0.283 44 S C 0.419 175.023 174.600 0.005 0.000 1.320 44 S CA -0.114 58.090 58.200 0.007 0.000 1.058 44 S CB 0.664 63.868 63.200 0.007 0.000 0.882 44 S HN 0.731 nan 8.310 nan 0.000 0.498 45 Q N 2.566 122.369 119.800 0.006 0.000 2.247 45 Q HA 0.339 4.674 4.340 -0.007 0.000 0.204 45 Q C -0.322 175.681 176.000 0.005 0.000 0.872 45 Q CA 0.365 56.171 55.803 0.004 0.000 0.951 45 Q CB 0.414 29.155 28.738 0.005 0.000 1.099 45 Q HN 0.728 nan 8.270 nan 0.000 0.501 46 E N 0.345 120.548 120.200 0.005 0.000 2.367 46 E HA 0.226 4.571 4.350 -0.007 0.000 0.273 46 E C -1.403 175.200 176.600 0.005 0.000 0.903 46 E CA -0.680 55.723 56.400 0.005 0.000 0.764 46 E CB 1.747 31.451 29.700 0.006 0.000 1.252 46 E HN -0.074 nan 8.360 nan 0.000 0.446 47 D N 0.766 121.168 120.400 0.005 0.000 2.372 47 D HA 0.014 4.649 4.640 -0.007 0.000 0.243 47 D C 0.156 176.460 176.300 0.005 0.000 1.121 47 D CA 0.477 54.480 54.000 0.004 0.000 0.898 47 D CB 0.410 41.212 40.800 0.004 0.000 1.202 47 D HN 0.469 nan 8.370 nan 0.000 0.428 48 N N 1.427 120.130 118.700 0.005 0.000 2.727 48 N HA -0.218 4.517 4.740 -0.007 0.000 0.249 48 N C -1.281 174.233 175.510 0.007 0.000 1.048 48 N CA 0.180 53.234 53.050 0.006 0.000 0.714 48 N CB -1.197 37.294 38.487 0.005 0.000 0.959 48 N HN 0.397 nan 8.380 nan 0.000 0.544 49 L N 0.532 121.760 121.223 0.008 0.000 2.361 49 L HA 0.303 4.639 4.340 -0.007 0.000 0.278 49 L C 1.308 178.184 176.870 0.011 0.000 1.113 49 L CA 0.514 55.360 54.840 0.009 0.000 0.849 49 L CB 0.598 42.663 42.059 0.009 0.000 1.155 49 L HN 0.256 nan 8.230 nan 0.000 0.452 50 R N 1.867 122.374 120.500 0.012 0.000 2.419 50 R HA 0.278 4.613 4.340 -0.007 0.000 0.235 50 R C -0.289 176.021 176.300 0.018 0.000 0.899 50 R CA 0.515 56.623 56.100 0.014 0.000 1.048 50 R CB 0.486 30.793 30.300 0.012 0.000 1.182 50 R HN 0.803 nan 8.270 nan 0.000 0.544 51 S N 0.036 115.746 115.700 0.018 0.000 2.625 51 S HA 0.698 5.163 4.470 -0.007 0.000 0.271 51 S C -1.339 173.273 174.600 0.020 0.000 1.161 51 S CA -1.049 57.164 58.200 0.022 0.000 0.820 51 S CB 1.774 64.988 63.200 0.023 0.000 1.137 51 S HN 0.086 nan 8.310 nan 0.000 0.470 52 L N -1.928 119.308 121.223 0.022 0.000 2.671 52 L HA 0.971 5.307 4.340 -0.007 0.000 0.259 52 L C -1.695 175.186 176.870 0.019 0.000 1.021 52 L CA -0.949 53.901 54.840 0.017 0.000 0.871 52 L CB 1.212 43.279 42.059 0.014 0.000 1.472 52 L HN 0.584 nan 8.230 nan 0.000 0.410 53 V N 1.605 121.526 119.914 0.013 0.000 2.680 53 V HA 0.671 4.787 4.120 -0.007 0.000 0.309 53 V C -0.303 175.792 176.094 0.001 0.000 1.052 53 V CA -0.449 61.858 62.300 0.012 0.000 0.908 53 V CB 1.730 33.560 31.823 0.011 0.000 1.001 53 V HN 0.713 nan 8.190 nan 0.000 0.431 54 L N 2.288 123.507 121.223 -0.005 0.000 2.341 54 L HA 0.610 4.946 4.340 -0.007 0.000 0.267 54 L C -0.497 176.359 176.870 -0.024 0.000 1.009 54 L CA -0.842 53.984 54.840 -0.022 0.000 0.819 54 L CB 2.119 44.153 42.059 -0.043 0.000 1.323 54 L HN 0.537 nan 8.230 nan 0.000 0.425 55 D N 1.458 121.841 120.400 -0.030 0.000 2.345 55 D HA 0.346 4.982 4.640 -0.007 0.000 0.247 55 D C -0.091 176.178 176.300 -0.052 0.000 1.108 55 D CA 0.404 54.385 54.000 -0.032 0.000 0.894 55 D CB 1.749 42.536 40.800 -0.022 0.000 1.203 55 D HN 0.631 nan 8.370 nan 0.000 0.430 56 T N -1.173 113.355 114.554 -0.043 0.000 2.883 56 T HA 0.585 4.931 4.350 -0.007 0.000 0.301 56 T C -0.712 173.972 174.700 -0.028 0.000 1.158 56 T CA -1.079 60.991 62.100 -0.050 0.000 1.007 56 T CB 2.660 71.502 68.868 -0.043 0.000 1.186 56 T HN 0.285 nan 8.240 nan 0.000 0.499 57 K N 1.013 121.403 120.400 -0.017 0.000 2.656 57 K HA 0.338 4.653 4.320 -0.007 0.000 0.253 57 K C -1.084 175.528 176.600 0.020 0.000 1.002 57 K CA -0.468 55.822 56.287 0.005 0.000 0.880 57 K CB 0.766 33.276 32.500 0.018 0.000 1.232 57 K HN 0.812 nan 8.250 nan 0.000 0.456 58 D N 2.537 122.951 120.400 0.023 0.000 2.800 58 D HA -0.199 4.436 4.640 -0.007 0.000 0.232 58 D C -0.566 175.760 176.300 0.044 0.000 1.137 58 D CA 1.008 55.027 54.000 0.032 0.000 0.718 58 D CB -0.680 40.141 40.800 0.035 0.000 1.084 58 D HN 0.442 nan 8.370 nan 0.000 0.432 59 L N 0.314 121.563 121.223 0.042 0.000 2.317 59 L HA 0.339 4.675 4.340 -0.007 0.000 0.281 59 L C 0.833 177.749 176.870 0.077 0.000 1.024 59 L CA -0.372 54.509 54.840 0.069 0.000 0.810 59 L CB 1.848 43.925 42.059 0.030 0.000 1.240 59 L HN -0.212 nan 8.230 nan 0.000 0.427 60 T N 4.155 118.770 114.554 0.102 0.000 2.733 60 T HA 0.449 4.795 4.350 -0.007 0.000 0.294 60 T C 0.000 174.764 174.700 0.106 0.000 0.956 60 T CA -0.333 61.818 62.100 0.086 0.000 0.987 60 T CB 0.611 69.514 68.868 0.058 0.000 0.920 60 T HN 0.161 nan 8.240 nan 0.000 0.470 61 I N 3.416 124.043 120.570 0.095 0.000 2.321 61 I HA 0.279 4.444 4.170 -0.007 0.000 0.291 61 I C 1.312 177.478 176.117 0.081 0.000 0.998 61 I CA -0.354 60.977 61.300 0.052 0.000 1.227 61 I CB 1.397 39.353 38.000 -0.073 0.000 1.368 61 I HN 0.789 nan 8.210 nan 0.000 0.466 62 E N 6.433 126.662 120.200 0.048 0.000 2.075 62 E HA -0.001 4.345 4.350 -0.007 0.000 0.190 62 E C 0.055 176.710 176.600 0.091 0.000 0.969 62 E CA 0.852 57.291 56.400 0.066 0.000 0.815 62 E CB 0.727 30.444 29.700 0.029 0.000 0.776 62 E HN 0.721 nan 8.360 nan 0.000 0.457 63 K N -1.511 118.896 120.400 0.011 0.000 2.642 63 K HA 0.381 4.696 4.320 -0.007 0.000 0.290 63 K C -1.594 174.951 176.600 -0.091 0.000 1.006 63 K CA -0.836 55.470 56.287 0.031 0.000 0.869 63 K CB 1.749 34.292 32.500 0.072 0.000 1.499 63 K HN -0.127 nan 8.250 nan 0.000 0.403 64 V N 1.435 121.316 119.914 -0.056 0.000 2.531 64 V HA 0.471 4.587 4.120 -0.007 0.000 0.301 64 V C -0.976 175.133 176.094 0.026 0.000 1.034 64 V CA -0.807 61.459 62.300 -0.057 0.000 0.865 64 V CB 1.688 33.448 31.823 -0.104 0.000 0.995 64 V HN 0.572 nan 8.190 nan 0.000 0.424 65 V N 6.449 126.377 119.914 0.023 0.000 2.487 65 V HA 0.590 4.706 4.120 -0.007 0.000 0.298 65 V C -0.420 175.693 176.094 0.033 0.000 1.028 65 V CA -0.349 61.971 62.300 0.035 0.000 0.860 65 V CB 1.834 33.678 31.823 0.034 0.000 0.991 65 V HN 0.720 nan 8.190 nan 0.000 0.427 66 I N 4.398 124.988 120.570 0.034 0.000 2.533 66 I HA 0.504 4.670 4.170 -0.007 0.000 0.290 66 I C 0.065 176.197 176.117 0.026 0.000 1.056 66 I CA -0.735 60.583 61.300 0.030 0.000 1.057 66 I CB 2.087 40.105 38.000 0.030 0.000 1.240 66 I HN 0.612 nan 8.210 nan 0.000 0.423 67 N N 4.308 123.021 118.700 0.022 0.000 2.725 67 N HA -0.197 4.539 4.740 -0.007 0.000 0.249 67 N C 0.920 176.441 175.510 0.019 0.000 1.103 67 N CA 1.362 54.422 53.050 0.018 0.000 0.707 67 N CB -1.120 37.377 38.487 0.017 0.000 1.043 67 N HN 1.212 nan 8.380 nan 0.000 0.553 68 G N -1.530 107.283 108.800 0.021 0.000 2.168 68 G HA2 -0.337 3.618 3.960 -0.007 0.000 0.263 68 G HA3 -0.337 3.618 3.960 -0.007 0.000 0.263 68 G C -0.190 174.724 174.900 0.023 0.000 0.977 68 G CA 0.924 46.036 45.100 0.021 0.000 0.659 68 G HN 0.542 nan 8.290 nan 0.000 0.533 69 Q N 0.098 119.914 119.800 0.026 0.000 2.387 69 Q HA 0.490 4.825 4.340 -0.007 0.000 0.273 69 Q C -0.273 175.750 176.000 0.038 0.000 1.089 69 Q CA -0.763 55.057 55.803 0.029 0.000 0.824 69 Q CB 1.618 30.372 28.738 0.026 0.000 1.367 69 Q HN 0.583 nan 8.270 nan 0.000 0.443 70 E N 1.058 121.285 120.200 0.045 0.000 2.373 70 E HA 0.298 4.643 4.350 -0.007 0.000 0.267 70 E C 0.005 176.647 176.600 0.071 0.000 1.032 70 E CA -0.284 56.154 56.400 0.064 0.000 0.889 70 E CB 1.070 30.812 29.700 0.071 0.000 0.984 70 E HN 0.410 nan 8.360 nan 0.000 0.425 71 V N -0.632 119.342 119.914 0.099 0.000 3.046 71 V HA 0.458 4.573 4.120 -0.007 0.000 0.316 71 V C -0.338 175.848 176.094 0.155 0.000 1.104 71 V CA -1.297 61.064 62.300 0.100 0.000 1.006 71 V CB 1.816 33.690 31.823 0.085 0.000 1.058 71 V HN 0.431 nan 8.190 nan 0.000 0.440 72 K N 1.912 122.373 120.400 0.102 0.000 2.270 72 K HA 0.442 4.758 4.320 -0.007 0.000 0.276 72 K C -0.977 175.713 176.600 0.151 0.000 1.023 72 K CA 0.102 56.426 56.287 0.062 0.000 0.955 72 K CB 0.925 33.430 32.500 0.007 0.000 0.975 72 K HN 0.940 nan 8.250 nan 0.000 0.471 73 Y N -1.992 118.314 120.300 0.010 0.000 2.655 73 Y HA 0.712 5.258 4.550 -0.008 0.000 0.336 73 Y C -1.584 174.320 175.900 0.007 0.000 1.154 73 Y CA -1.425 56.681 58.100 0.009 0.000 1.055 73 Y CB 1.453 39.920 38.460 0.012 0.000 1.295 73 Y HN 0.532 nan 8.280 nan 0.000 0.465 74 A N 1.924 124.799 122.820 0.092 0.000 2.517 74 A HA 0.675 4.991 4.320 -0.007 0.000 0.297 74 A C -2.139 175.511 177.584 0.110 0.000 1.050 74 A CA -0.786 51.251 52.037 -0.000 0.000 0.694 74 A CB 1.332 20.312 19.000 -0.033 0.000 1.277 74 A HN 0.819 nan 8.150 nan 0.000 0.400 75 L N 2.664 123.943 121.223 0.094 0.000 2.264 75 L HA 0.539 4.875 4.340 -0.007 0.000 0.289 75 L C 1.231 178.123 176.870 0.035 0.000 1.044 75 L CA -0.339 54.551 54.840 0.083 0.000 0.807 75 L CB 1.509 43.628 42.059 0.099 0.000 1.192 75 L HN 0.951 nan 8.230 nan 0.000 0.425 76 G N 2.499 111.314 108.800 0.025 0.000 2.653 76 G HA2 0.149 4.105 3.960 -0.007 0.000 0.265 76 G HA3 0.149 4.105 3.960 -0.007 0.000 0.265 76 G C -0.185 174.717 174.900 0.003 0.000 1.237 76 G CA -0.596 44.509 45.100 0.008 0.000 0.946 76 G HN 0.514 nan 8.290 nan 0.000 0.522 77 E N -0.027 120.170 120.200 -0.005 0.000 2.392 77 E HA 0.044 4.389 4.350 -0.007 0.000 0.264 77 E C 0.635 177.225 176.600 -0.017 0.000 1.024 77 E CA -0.127 56.268 56.400 -0.009 0.000 0.903 77 E CB 1.052 30.746 29.700 -0.011 0.000 0.963 77 E HN 0.419 nan 8.360 nan 0.000 0.432 78 R N 2.065 122.555 120.500 -0.017 0.000 2.570 78 R HA -0.061 4.274 4.340 -0.007 0.000 0.277 78 R C -0.083 176.187 176.300 -0.049 0.000 1.039 78 R CA 0.477 56.560 56.100 -0.029 0.000 1.065 78 R CB 0.380 30.669 30.300 -0.018 0.000 0.964 78 R HN 0.437 nan 8.270 nan 0.000 0.428 79 Q N 3.125 122.875 119.800 -0.085 0.000 2.842 79 Q HA 0.112 4.447 4.340 -0.007 0.000 0.323 79 Q C -0.022 175.848 176.000 -0.217 0.000 1.111 79 Q CA -0.240 55.483 55.803 -0.133 0.000 1.047 79 Q CB 1.207 29.858 28.738 -0.146 0.000 1.280 79 Q HN 0.960 nan 8.270 nan 0.000 0.475 80 S N 0.569 116.191 115.700 -0.130 0.000 3.938 80 S HA -0.362 4.104 4.470 -0.007 0.000 0.624 80 S C 0.996 175.531 174.600 -0.107 0.000 2.186 80 S CA 2.023 60.167 58.200 -0.093 0.000 4.144 80 S CB -1.063 62.089 63.200 -0.081 0.000 0.230 80 S HN 0.827 nan 8.310 nan 0.000 0.755 81 Y N 0.905 121.205 120.300 0.000 0.000 2.497 81 Y HA 0.274 4.817 4.550 -0.011 0.000 0.292 81 Y C 2.006 177.884 175.900 -0.036 0.000 1.137 81 Y CA 1.311 59.403 58.100 -0.014 0.000 1.285 81 Y CB -0.511 37.936 38.460 -0.023 0.000 0.991 81 Y HN 0.378 nan 8.280 nan 0.000 0.556 82 K N 1.016 121.124 120.400 -0.486 0.000 2.432 82 K HA 0.201 4.517 4.320 -0.007 0.000 0.196 82 K C 1.334 177.861 176.600 -0.121 0.000 1.038 82 K CA 0.518 56.649 56.287 -0.260 0.000 0.986 82 K CB -0.284 32.017 32.500 -0.332 0.000 0.782 82 K HN 0.624 nan 8.250 nan 0.000 0.485 83 G N 0.744 109.484 108.800 -0.100 0.000 2.593 83 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.237 83 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.237 83 G C -0.683 174.186 174.900 -0.051 0.000 1.312 83 G CA -0.429 44.642 45.100 -0.050 0.000 0.896 83 G HN 0.189 nan 8.290 nan 0.000 0.574 84 S N 2.937 118.621 115.700 -0.028 0.000 2.473 84 S HA 0.715 5.180 4.470 -0.007 0.000 0.307 84 S C -2.445 172.148 174.600 -0.011 0.000 1.094 84 S CA -0.647 57.543 58.200 -0.017 0.000 1.070 84 S CB 2.581 65.781 63.200 0.000 0.000 1.019 84 S HN 0.751 nan 8.310 nan 0.000 0.480 85 P HA 0.204 nan 4.420 nan 0.000 0.275 85 P C -1.022 176.289 177.300 0.019 0.000 1.227 85 P CA -0.451 62.648 63.100 -0.001 0.000 0.781 85 P CB 0.575 32.274 31.700 -0.003 0.000 0.906 86 M N 2.372 121.986 119.600 0.022 0.000 2.043 86 M HA 0.272 4.748 4.480 -0.007 0.000 0.322 86 M C -0.377 175.956 176.300 0.056 0.000 0.962 86 M CA -0.531 54.801 55.300 0.054 0.000 0.927 86 M CB 1.041 33.658 32.600 0.028 0.000 1.466 86 M HN 0.302 nan 8.290 nan 0.000 0.412 87 E N 5.134 125.381 120.200 0.078 0.000 2.200 87 E HA 0.466 4.812 4.350 -0.007 0.000 0.283 87 E C -1.487 175.176 176.600 0.106 0.000 1.015 87 E CA -0.427 56.013 56.400 0.067 0.000 0.819 87 E CB 1.155 30.883 29.700 0.046 0.000 1.081 87 E HN 0.732 nan 8.360 nan 0.000 0.397 88 I N 3.085 123.704 120.570 0.082 0.000 2.406 88 I HA 0.179 4.344 4.170 -0.007 0.000 0.290 88 I C -0.396 175.763 176.117 0.070 0.000 0.999 88 I CA -0.674 60.687 61.300 0.101 0.000 1.124 88 I CB 2.087 40.126 38.000 0.066 0.000 1.289 88 I HN 0.377 nan 8.210 nan 0.000 0.441 89 S N 7.039 122.784 115.700 0.075 0.000 2.439 89 S HA 0.447 4.913 4.470 -0.007 0.000 0.282 89 S C -0.035 174.592 174.600 0.045 0.000 1.170 89 S CA -0.632 57.597 58.200 0.049 0.000 1.054 89 S CB 0.251 63.475 63.200 0.040 0.000 0.956 89 S HN 0.331 nan 8.310 nan 0.000 0.490 90 L N 5.560 126.804 121.223 0.034 0.000 2.426 90 L HA 0.216 4.551 4.340 -0.007 0.000 0.271 90 L C -0.870 176.016 176.870 0.026 0.000 1.169 90 L CA -1.480 53.378 54.840 0.029 0.000 0.836 90 L CB 0.313 42.386 42.059 0.023 0.000 1.112 90 L HN 0.439 nan 8.230 nan 0.000 0.465 91 P HA 0.040 nan 4.420 nan 0.000 0.225 91 P C 0.117 177.428 177.300 0.017 0.000 1.156 91 P CA 1.112 64.225 63.100 0.022 0.000 0.787 91 P CB 0.572 32.286 31.700 0.023 0.000 0.802 92 I N -0.666 119.914 120.570 0.016 0.000 2.569 92 I HA 0.417 4.582 4.170 -0.007 0.000 0.290 92 I C -0.092 176.032 176.117 0.012 0.000 1.088 92 I CA -1.576 59.732 61.300 0.012 0.000 1.047 92 I CB 2.217 40.223 38.000 0.011 0.000 1.237 92 I HN -0.214 nan 8.210 nan 0.000 0.421 93 A N 7.029 129.855 122.820 0.010 0.000 2.531 93 A HA 0.448 4.764 4.320 -0.007 0.000 0.236 93 A C -0.373 177.216 177.584 0.008 0.000 1.062 93 A CA 0.303 52.345 52.037 0.009 0.000 0.760 93 A CB 0.059 19.064 19.000 0.008 0.000 0.995 93 A HN 0.663 nan 8.150 nan 0.000 0.501 94 L N 2.606 123.834 121.223 0.008 0.000 2.317 94 L HA 0.420 4.755 4.340 -0.007 0.000 0.281 94 L C 0.865 177.739 176.870 0.006 0.000 1.024 94 L CA -0.546 54.299 54.840 0.007 0.000 0.810 94 L CB 1.809 43.873 42.059 0.009 0.000 1.240 94 L HN 0.902 nan 8.230 nan 0.000 0.427 95 S N 1.730 117.433 115.700 0.004 0.000 2.645 95 S HA 0.267 4.733 4.470 -0.007 0.000 0.266 95 S C -0.186 174.416 174.600 0.003 0.000 1.258 95 S CA -0.857 57.345 58.200 0.003 0.000 0.990 95 S CB 1.225 64.426 63.200 0.002 0.000 0.967 95 S HN 0.584 nan 8.310 nan 0.000 0.556 96 K N 0.864 121.265 120.400 0.002 0.000 2.484 96 K HA -0.020 4.295 4.320 -0.007 0.000 0.280 96 K C 0.062 176.663 176.600 0.001 0.000 1.013 96 K CA 0.509 56.797 56.287 0.002 0.000 1.029 96 K CB -0.190 32.311 32.500 0.002 0.000 0.902 96 K HN 0.721 nan 8.250 nan 0.000 0.481 97 N N 1.072 119.772 118.700 0.001 0.000 2.972 97 N HA -0.243 4.493 4.740 -0.007 0.000 0.225 97 N C -0.487 175.022 175.510 -0.001 0.000 0.883 97 N CA 1.014 54.063 53.050 -0.001 0.000 1.010 97 N CB -0.860 37.625 38.487 -0.004 0.000 1.052 97 N HN 0.789 nan 8.380 nan 0.000 0.598 98 Q N 1.412 121.213 119.800 0.001 0.000 2.337 98 Q HA 0.139 4.475 4.340 -0.007 0.000 0.270 98 Q C -0.588 175.414 176.000 0.004 0.000 1.002 98 Q CA 0.586 56.390 55.803 0.001 0.000 0.888 98 Q CB 0.517 29.256 28.738 0.003 0.000 1.222 98 Q HN 0.170 nan 8.270 nan 0.000 0.400 99 E N 3.914 124.116 120.200 0.003 0.000 2.183 99 E HA 0.401 4.747 4.350 -0.007 0.000 0.271 99 E C -0.435 176.171 176.600 0.010 0.000 0.919 99 E CA -0.722 55.683 56.400 0.008 0.000 0.781 99 E CB 1.543 31.246 29.700 0.006 0.000 1.140 99 E HN 0.521 nan 8.360 nan 0.000 0.402 100 I N -0.855 119.724 120.570 0.015 0.000 3.145 100 I HA 0.538 4.704 4.170 -0.007 0.000 0.313 100 I C -1.087 175.045 176.117 0.026 0.000 1.122 100 I CA -1.195 60.115 61.300 0.018 0.000 0.987 100 I CB 1.484 39.494 38.000 0.017 0.000 1.236 100 I HN 0.257 nan 8.210 nan 0.000 0.453 101 V N 4.424 124.355 119.914 0.029 0.000 2.398 101 V HA 0.490 4.606 4.120 -0.007 0.000 0.286 101 V C 0.120 176.237 176.094 0.038 0.000 1.026 101 V CA -0.397 61.928 62.300 0.041 0.000 0.868 101 V CB 1.427 33.277 31.823 0.044 0.000 0.982 101 V HN 0.519 nan 8.190 nan 0.000 0.443 102 I N 4.181 124.774 120.570 0.039 0.000 2.382 102 I HA 0.425 4.591 4.170 -0.007 0.000 0.286 102 I C 0.003 176.141 176.117 0.035 0.000 1.002 102 I CA -0.265 61.053 61.300 0.030 0.000 1.135 102 I CB 1.644 39.654 38.000 0.017 0.000 1.288 102 I HN 0.647 nan 8.210 nan 0.000 0.448 103 E N 7.805 128.028 120.200 0.039 0.000 2.109 103 E HA 0.504 4.850 4.350 -0.007 0.000 0.278 103 E C -1.205 175.418 176.600 0.037 0.000 0.954 103 E CA -0.619 55.813 56.400 0.054 0.000 0.779 103 E CB 1.148 30.886 29.700 0.064 0.000 1.093 103 E HN 0.517 nan 8.360 nan 0.000 0.401 104 I N 3.383 123.985 120.570 0.052 0.000 2.362 104 I HA 0.181 4.347 4.170 -0.007 0.000 0.289 104 I C -0.207 176.005 176.117 0.159 0.000 0.994 104 I CA -0.538 60.786 61.300 0.040 0.000 1.158 104 I CB 1.950 39.938 38.000 -0.019 0.000 1.315 104 I HN 0.342 nan 8.210 nan 0.000 0.451 105 S N 6.897 122.650 115.700 0.087 0.000 2.489 105 S HA 0.670 5.135 4.470 -0.007 0.000 0.277 105 S C -0.523 174.145 174.600 0.113 0.000 1.230 105 S CA -0.425 57.814 58.200 0.065 0.000 1.053 105 S CB 0.313 63.516 63.200 0.005 0.000 0.955 105 S HN 0.479 nan 8.310 nan 0.000 0.488 106 F N 0.377 120.301 119.950 -0.042 0.000 2.711 106 F HA 0.817 5.340 4.527 -0.007 0.000 0.313 106 F C -0.924 174.862 175.800 -0.023 0.000 1.141 106 F CA -1.121 56.854 58.000 -0.041 0.000 0.941 106 F CB 1.335 40.304 39.000 -0.052 0.000 1.349 106 F HN 0.460 nan 8.300 nan 0.000 0.464 107 E N 0.633 120.895 120.200 0.103 0.000 2.356 107 E HA 0.488 4.833 4.350 -0.007 0.000 0.275 107 E C -1.338 175.377 176.600 0.193 0.000 0.904 107 E CA -0.919 55.487 56.400 0.010 0.000 0.757 107 E CB 2.403 32.083 29.700 -0.033 0.000 1.232 107 E HN 0.930 nan 8.360 nan 0.000 0.442 108 T N 0.045 114.700 114.554 0.169 0.000 2.902 108 T HA 0.380 4.726 4.350 -0.007 0.000 0.280 108 T C 0.360 175.108 174.700 0.080 0.000 0.992 108 T CA -0.763 61.436 62.100 0.165 0.000 1.015 108 T CB 1.576 70.562 68.868 0.197 0.000 1.044 108 T HN 0.258 nan 8.240 nan 0.000 0.520 109 S N 0.994 116.734 115.700 0.067 0.000 2.586 109 S HA 0.353 4.819 4.470 -0.007 0.000 0.274 109 S C -1.665 172.943 174.600 0.013 0.000 1.281 109 S CA -1.649 56.563 58.200 0.020 0.000 1.035 109 S CB 0.454 63.666 63.200 0.020 0.000 0.962 109 S HN 0.559 nan 8.310 nan 0.000 0.512 110 P HA -0.073 nan 4.420 nan 0.000 0.221 110 P C 0.479 177.767 177.300 -0.020 0.000 1.145 110 P CA 1.132 64.139 63.100 -0.154 0.000 0.795 110 P CB -0.021 31.540 31.700 -0.232 0.000 0.775 111 K N -1.316 119.082 120.400 -0.003 0.000 2.410 111 K HA 0.170 4.486 4.320 -0.007 0.000 0.200 111 K C 0.514 177.126 176.600 0.020 0.000 1.023 111 K CA -0.249 56.042 56.287 0.007 0.000 1.149 111 K CB -0.224 32.272 32.500 -0.007 0.000 0.859 111 K HN -0.234 nan 8.250 nan 0.000 0.514 112 S N 1.608 117.340 115.700 0.054 0.000 3.116 112 S HA -0.107 4.359 4.470 -0.007 0.000 0.367 112 S C 1.107 175.696 174.600 -0.017 0.000 1.202 112 S CA 0.321 58.550 58.200 0.048 0.000 1.018 112 S CB 0.169 63.422 63.200 0.089 0.000 0.726 112 S HN 0.593 nan 8.310 nan 0.000 0.506 113 S N 4.317 120.014 115.700 -0.005 0.000 2.515 113 S HA 0.029 4.495 4.470 -0.007 0.000 0.231 113 S C 1.773 176.210 174.600 -0.271 0.000 0.987 113 S CA 0.439 58.581 58.200 -0.098 0.000 0.936 113 S CB -0.304 62.940 63.200 0.075 0.000 0.766 113 S HN 0.946 nan 8.310 nan 0.000 0.528 114 A N 0.932 123.684 122.820 -0.113 0.000 2.119 114 A HA 0.455 4.770 4.320 -0.007 0.000 0.216 114 A C 0.827 178.332 177.584 -0.133 0.000 1.152 114 A CA 0.279 52.261 52.037 -0.093 0.000 0.708 114 A CB -0.222 18.790 19.000 0.020 0.000 0.805 114 A HN 0.550 nan 8.150 nan 0.000 0.460 115 L N -0.616 120.481 121.223 -0.210 0.000 2.362 115 L HA 0.478 4.814 4.340 -0.007 0.000 0.271 115 L C -0.339 176.251 176.870 -0.468 0.000 1.002 115 L CA -0.502 54.141 54.840 -0.328 0.000 0.818 115 L CB 1.966 43.862 42.059 -0.273 0.000 1.298 115 L HN 0.254 nan 8.230 nan 0.000 0.420 116 Q N 1.660 121.041 119.800 -0.697 0.000 2.325 116 Q HA 0.349 4.684 4.340 -0.007 0.000 0.270 116 Q C -1.948 173.781 176.000 -0.452 0.000 1.020 116 Q CA -0.650 54.811 55.803 -0.569 0.000 0.785 116 Q CB 1.719 30.072 28.738 -0.643 0.000 1.259 116 Q HN 0.490 nan 8.270 nan 0.000 0.452 117 W N 5.030 126.250 121.300 -0.134 0.000 2.349 117 W HA 0.457 5.112 4.660 -0.008 0.000 0.309 117 W C -0.729 175.842 176.519 0.088 0.000 1.083 117 W CA -0.379 56.979 57.345 0.022 0.000 1.224 117 W CB 0.811 30.277 29.460 0.010 0.000 1.256 117 W HN 0.396 nan 8.180 nan 0.000 0.461 118 L N 3.877 125.327 121.223 0.378 0.000 2.317 118 L HA 0.519 4.854 4.340 -0.007 0.000 0.281 118 L C 0.887 177.924 176.870 0.278 0.000 1.024 118 L CA -0.994 54.017 54.840 0.285 0.000 0.810 118 L CB 1.446 43.660 42.059 0.259 0.000 1.240 118 L HN 0.424 nan 8.230 nan 0.000 0.427 119 T N -1.001 113.665 114.554 0.187 0.000 2.828 119 T HA 0.199 4.545 4.350 -0.007 0.000 0.290 119 T C -1.910 172.855 174.700 0.108 0.000 1.019 119 T CA -1.510 60.672 62.100 0.137 0.000 1.031 119 T CB 1.089 70.009 68.868 0.088 0.000 1.001 119 T HN 0.329 nan 8.240 nan 0.000 0.531 120 P HA -0.172 nan 4.420 nan 0.000 0.217 120 P C 1.590 178.915 177.300 0.041 0.000 1.151 120 P CA 1.160 64.286 63.100 0.044 0.000 0.849 120 P CB 0.000 31.698 31.700 -0.003 0.000 0.787 121 E N -0.121 120.100 120.200 0.035 0.000 2.338 121 E HA -0.176 4.170 4.350 -0.007 0.000 0.197 121 E C 1.490 178.114 176.600 0.039 0.000 1.007 121 E CA 0.946 57.364 56.400 0.029 0.000 0.849 121 E CB -0.917 28.796 29.700 0.021 0.000 0.774 121 E HN 0.459 nan 8.360 nan 0.000 0.506 122 Q N 1.186 121.019 119.800 0.055 0.000 2.444 122 Q HA 0.031 4.367 4.340 -0.007 0.000 0.206 122 Q C 0.663 176.682 176.000 0.032 0.000 0.948 122 Q CA 0.733 56.571 55.803 0.058 0.000 0.946 122 Q CB 0.334 29.124 28.738 0.087 0.000 1.027 122 Q HN 0.364 nan 8.270 nan 0.000 0.513 123 T N -4.542 110.029 114.554 0.030 0.000 2.937 123 T HA 0.323 4.669 4.350 -0.007 0.000 0.283 123 T C 1.064 175.771 174.700 0.011 0.000 1.012 123 T CA -0.656 61.445 62.100 0.001 0.000 0.997 123 T CB 1.696 70.596 68.868 0.054 0.000 1.136 123 T HN -0.181 nan 8.240 nan 0.000 0.551 124 S N 0.247 115.952 115.700 0.008 0.000 2.371 124 S HA 0.101 4.566 4.470 -0.007 0.000 0.224 124 S C 2.238 176.860 174.600 0.036 0.000 1.029 124 S CA 1.037 59.250 58.200 0.020 0.000 0.978 124 S CB -0.895 62.317 63.200 0.020 0.000 0.833 124 S HN 0.947 nan 8.310 nan 0.000 0.466 125 G N 0.612 109.447 108.800 0.058 0.000 2.464 125 G HA2 -0.027 3.929 3.960 -0.007 0.000 0.217 125 G HA3 -0.027 3.929 3.960 -0.007 0.000 0.217 125 G C 0.496 175.419 174.900 0.038 0.000 1.138 125 G CA 0.532 45.671 45.100 0.065 0.000 0.793 125 G HN 0.278 nan 8.290 nan 0.000 0.539 126 K N -0.924 119.496 120.400 0.032 0.000 3.547 126 K HA -0.193 4.123 4.320 -0.007 0.000 0.309 126 K C 1.091 177.670 176.600 -0.034 0.000 1.324 126 K CA 1.723 58.014 56.287 0.006 0.000 0.988 126 K CB -1.487 31.014 32.500 0.002 0.000 1.261 126 K HN 0.597 nan 8.250 nan 0.000 0.444 127 E N -0.509 119.648 120.200 -0.072 0.000 2.290 127 E HA 0.075 4.420 4.350 -0.007 0.000 0.199 127 E C 0.316 176.682 176.600 -0.391 0.000 0.912 127 E CA 0.110 56.360 56.400 -0.250 0.000 0.924 127 E CB 0.332 29.824 29.700 -0.346 0.000 0.901 127 E HN 0.346 nan 8.360 nan 0.000 0.487 128 H N 0.694 119.762 119.070 -0.004 0.000 2.529 128 H HA 0.296 4.848 4.556 -0.007 0.000 0.348 128 H C -2.199 173.100 175.328 -0.047 0.000 1.152 128 H CA -2.220 53.799 56.048 -0.048 0.000 1.202 128 H CB 1.460 31.194 29.762 -0.048 0.000 1.562 128 H HN 0.029 nan 8.280 nan 0.000 0.515 129 P HA 0.130 nan 4.420 nan 0.000 0.279 129 P C -1.075 176.234 177.300 0.014 0.000 1.282 129 P CA -0.139 62.926 63.100 -0.058 0.000 0.788 129 P CB 1.438 32.961 31.700 -0.295 0.000 1.139 130 Y N -0.782 119.587 120.300 0.115 0.000 2.521 130 Y HA 0.530 5.075 4.550 -0.008 0.000 0.332 130 Y C -1.707 174.391 175.900 0.329 0.000 1.121 130 Y CA -1.024 57.204 58.100 0.213 0.000 1.037 130 Y CB 1.531 40.087 38.460 0.160 0.000 1.330 130 Y HN 0.294 nan 8.280 nan 0.000 0.452 131 L N 7.423 128.771 121.223 0.207 0.000 2.408 131 L HA 0.820 5.156 4.340 -0.007 0.000 0.268 131 L C -1.955 174.889 176.870 -0.043 0.000 0.986 131 L CA -0.808 53.952 54.840 -0.132 0.000 0.820 131 L CB 1.493 43.171 42.059 -0.634 0.000 1.303 131 L HN 0.486 nan 8.230 nan 0.000 0.411 132 F N 1.780 121.694 119.950 -0.059 0.000 2.613 132 F HA 0.899 5.421 4.527 -0.008 0.000 0.310 132 F C -0.570 175.268 175.800 0.063 0.000 1.085 132 F CA -0.515 57.510 58.000 0.041 0.000 0.945 132 F CB 1.372 40.502 39.000 0.216 0.000 1.298 132 F HN 0.616 nan 8.300 nan 0.000 0.455 133 S N 1.551 117.471 115.700 0.366 0.000 2.690 133 S HA 0.745 5.211 4.470 -0.007 0.000 0.291 133 S C -0.953 173.920 174.600 0.455 0.000 1.138 133 S CA -0.571 57.769 58.200 0.234 0.000 1.013 133 S CB 1.847 65.089 63.200 0.070 0.000 1.053 133 S HN 0.949 nan 8.310 nan 0.000 0.539 134 Q N 0.445 120.411 119.800 0.278 0.000 2.526 134 Q HA 0.431 4.767 4.340 -0.007 0.000 0.238 134 Q C -0.798 175.276 176.000 0.123 0.000 0.866 134 Q CA -0.487 55.462 55.803 0.243 0.000 0.801 134 Q CB 0.475 29.404 28.738 0.318 0.000 1.380 134 Q HN 0.763 nan 8.270 nan 0.000 0.446 135 C N 2.133 121.491 119.300 0.097 0.000 2.551 135 C HA 0.200 4.656 4.460 -0.007 0.000 0.277 135 C C 0.951 176.017 174.990 0.126 0.000 1.349 135 C CA 0.081 59.178 59.018 0.132 0.000 1.750 135 C CB -0.074 27.716 27.740 0.083 0.000 2.058 135 C HN 0.767 nan 8.230 nan 0.000 0.518 136 Q N 0.388 120.211 119.800 0.039 0.000 2.311 136 Q HA 0.307 4.643 4.340 -0.007 0.000 0.272 136 Q C 0.852 176.661 176.000 -0.318 0.000 1.012 136 Q CA 0.159 55.836 55.803 -0.210 0.000 0.891 136 Q CB 0.956 29.532 28.738 -0.270 0.000 1.201 136 Q HN 0.536 nan 8.270 nan 0.000 0.391 137 A N 4.719 127.158 122.820 -0.636 0.000 1.887 137 A HA 0.040 4.356 4.320 -0.007 0.000 0.212 137 A C 1.142 178.402 177.584 -0.541 0.000 1.198 137 A CA 0.797 52.139 52.037 -1.159 0.000 0.628 137 A CB 0.089 17.861 19.000 -2.047 0.000 0.847 137 A HN 0.811 nan 8.150 nan 0.000 0.449 138 I N -5.061 115.202 120.570 -0.511 0.000 3.061 138 I HA 0.442 4.608 4.170 -0.007 0.000 0.341 138 I C 0.110 175.999 176.117 -0.380 0.000 1.457 138 I CA -0.338 60.789 61.300 -0.288 0.000 0.921 138 I CB 0.240 38.120 38.000 -0.200 0.000 1.845 138 I HN 0.102 nan 8.210 nan 0.000 0.535 139 H N -0.317 118.731 119.070 -0.036 0.000 2.705 139 H HA 0.170 4.722 4.556 -0.007 0.000 0.269 139 H C 1.849 177.166 175.328 -0.018 0.000 0.998 139 H CA 0.152 56.188 56.048 -0.020 0.000 1.193 139 H CB 0.689 30.441 29.762 -0.017 0.000 1.485 139 H HN 0.686 nan 8.280 nan 0.000 0.521 140 C N 2.386 121.728 119.300 0.070 0.000 2.413 140 C HA -0.153 4.303 4.460 -0.007 0.000 0.277 140 C C 3.035 178.005 174.990 -0.034 0.000 1.265 140 C CA 1.274 60.298 59.018 0.009 0.000 1.752 140 C CB -0.708 27.031 27.740 -0.002 0.000 1.998 140 C HN 0.637 nan 8.230 nan 0.000 0.489 141 R N 1.066 121.551 120.500 -0.025 0.000 2.200 141 R HA -0.043 4.293 4.340 -0.007 0.000 0.234 141 R C 1.836 178.111 176.300 -0.043 0.000 1.127 141 R CA 1.789 57.859 56.100 -0.051 0.000 0.989 141 R CB -0.701 29.577 30.300 -0.035 0.000 0.869 141 R HN 0.495 nan 8.270 nan 0.000 0.459 142 A N 0.747 123.572 122.820 0.008 0.000 2.238 142 A HA 0.209 4.524 4.320 -0.007 0.000 0.208 142 A C 1.774 179.371 177.584 0.020 0.000 1.177 142 A CA 0.240 52.297 52.037 0.032 0.000 0.804 142 A CB -0.098 18.957 19.000 0.091 0.000 0.823 142 A HN 0.345 nan 8.150 nan 0.000 0.482 143 I N -1.307 119.248 120.570 -0.025 0.000 3.300 143 I HA 0.213 4.379 4.170 -0.007 0.000 0.279 143 I C -0.010 176.010 176.117 -0.163 0.000 1.172 143 I CA 0.342 61.628 61.300 -0.024 0.000 1.431 143 I CB 0.382 38.357 38.000 -0.041 0.000 1.240 143 I HN 0.352 nan 8.210 nan 0.000 0.453 144 L N -2.808 118.214 121.223 -0.335 0.000 2.582 144 L HA 0.656 4.992 4.340 -0.007 0.000 0.257 144 L C -3.214 173.373 176.870 -0.471 0.000 0.974 144 L CA -1.940 52.460 54.840 -0.733 0.000 0.851 144 L CB 0.795 42.457 42.059 -0.662 0.000 1.424 144 L HN -0.285 nan 8.230 nan 0.000 0.412 145 P HA 0.438 nan 4.420 nan 0.000 0.276 145 P C -0.908 176.270 177.300 -0.202 0.000 1.235 145 P CA -0.277 62.659 63.100 -0.273 0.000 0.772 145 P CB 0.667 32.221 31.700 -0.243 0.000 0.871 146 C N 0.724 119.946 119.300 -0.130 0.000 3.306 146 C HA 0.383 4.839 4.460 -0.007 0.000 0.335 146 C C -0.807 174.153 174.990 -0.049 0.000 1.382 146 C CA -0.945 58.019 59.018 -0.090 0.000 1.254 146 C CB 0.848 28.529 27.740 -0.098 0.000 1.555 146 C HN 0.449 nan 8.230 nan 0.000 0.463 147 Q N 1.147 120.930 119.800 -0.029 0.000 2.452 147 Q HA 0.189 4.524 4.340 -0.007 0.000 0.230 147 Q C -0.572 175.434 176.000 0.010 0.000 1.180 147 Q CA 0.305 56.103 55.803 -0.008 0.000 0.914 147 Q CB 0.271 29.007 28.738 -0.003 0.000 1.408 147 Q HN 0.612 nan 8.270 nan 0.000 0.520 148 D N 2.396 122.809 120.400 0.023 0.000 2.713 148 D HA 0.037 4.672 4.640 -0.007 0.000 0.229 148 D C -0.941 175.432 176.300 0.122 0.000 1.136 148 D CA 0.260 54.297 54.000 0.063 0.000 1.010 148 D CB 0.141 40.967 40.800 0.043 0.000 1.084 148 D HN 0.286 nan 8.370 nan 0.000 0.495 149 T N 0.658 115.272 114.554 0.100 0.000 2.952 149 T HA 0.383 4.729 4.350 -0.007 0.000 0.305 149 T C -2.377 172.340 174.700 0.028 0.000 1.064 149 T CA -1.665 60.476 62.100 0.068 0.000 1.008 149 T CB 2.009 70.888 68.868 0.019 0.000 1.078 149 T HN -0.092 nan 8.240 nan 0.000 0.459 150 P HA 0.068 nan 4.420 nan 0.000 0.245 150 P C 1.135 178.382 177.300 -0.088 0.000 1.212 150 P CA 0.258 63.321 63.100 -0.062 0.000 0.774 150 P CB -0.043 31.466 31.700 -0.318 0.000 0.999 151 S N -1.652 113.994 115.700 -0.090 0.000 2.561 151 S HA 0.067 4.532 4.470 -0.007 0.000 0.225 151 S C 0.786 175.367 174.600 -0.032 0.000 0.977 151 S CA -0.031 58.130 58.200 -0.065 0.000 0.926 151 S CB -0.650 62.517 63.200 -0.055 0.000 0.769 151 S HN -0.074 nan 8.310 nan 0.000 0.533 152 V N 1.887 121.790 119.914 -0.019 0.000 2.495 152 V HA 0.461 4.576 4.120 -0.007 0.000 0.298 152 V C -0.472 175.620 176.094 -0.003 0.000 1.031 152 V CA -0.785 61.511 62.300 -0.006 0.000 0.871 152 V CB 1.847 33.670 31.823 -0.001 0.000 0.988 152 V HN 0.259 nan 8.190 nan 0.000 0.432 153 K N 5.683 126.088 120.400 0.007 0.000 2.270 153 K HA 0.854 5.169 4.320 -0.007 0.000 0.255 153 K C -1.181 175.437 176.600 0.030 0.000 0.936 153 K CA -0.661 55.636 56.287 0.018 0.000 0.809 153 K CB 2.388 34.909 32.500 0.035 0.000 1.131 153 K HN 0.639 nan 8.250 nan 0.000 0.427 154 L N -1.490 119.758 121.223 0.041 0.000 2.424 154 L HA 0.626 4.962 4.340 -0.007 0.000 0.258 154 L C -0.113 176.813 176.870 0.093 0.000 0.995 154 L CA -0.973 53.903 54.840 0.060 0.000 0.821 154 L CB 1.860 43.941 42.059 0.036 0.000 1.383 154 L HN 0.606 nan 8.230 nan 0.000 0.410 155 T N -1.190 113.441 114.554 0.128 0.000 2.874 155 T HA 0.675 5.021 4.350 -0.007 0.000 0.281 155 T C -0.635 174.098 174.700 0.055 0.000 0.994 155 T CA -0.323 61.870 62.100 0.154 0.000 1.015 155 T CB 1.208 70.219 68.868 0.239 0.000 1.028 155 T HN 0.872 nan 8.240 nan 0.000 0.523 156 Y N -1.334 118.910 120.300 -0.093 0.000 2.571 156 Y HA 0.712 5.258 4.550 -0.007 0.000 0.341 156 Y C -0.785 175.116 175.900 0.000 0.000 1.076 156 Y CA -1.155 56.768 58.100 -0.295 0.000 1.029 156 Y CB 1.216 39.550 38.460 -0.209 0.000 1.308 156 Y HN 1.018 nan 8.280 nan 0.000 0.461 157 T N 0.395 115.094 114.554 0.242 0.000 2.907 157 T HA 0.975 5.321 4.350 -0.007 0.000 0.292 157 T C -0.832 174.069 174.700 0.336 0.000 1.043 157 T CA -0.402 61.910 62.100 0.352 0.000 1.003 157 T CB 1.697 70.870 68.868 0.508 0.000 1.084 157 T HN 1.605 nan 8.240 nan 0.000 0.483 158 A N 1.450 124.457 122.820 0.312 0.000 2.547 158 A HA 0.733 5.048 4.320 -0.007 0.000 0.297 158 A C -1.257 176.472 177.584 0.242 0.000 1.056 158 A CA -1.017 51.129 52.037 0.183 0.000 0.688 158 A CB 1.414 20.587 19.000 0.289 0.000 1.282 158 A HN 0.859 nan 8.150 nan 0.000 0.400 159 E N 0.789 121.060 120.200 0.118 0.000 2.191 159 E HA 0.545 4.890 4.350 -0.007 0.000 0.263 159 E C -1.333 175.361 176.600 0.157 0.000 0.881 159 E CA -0.793 55.700 56.400 0.155 0.000 0.757 159 E CB 2.447 32.223 29.700 0.126 0.000 1.147 159 E HN 0.322 nan 8.360 nan 0.000 0.414 160 V N 2.246 122.301 119.914 0.234 0.000 2.407 160 V HA 0.272 4.387 4.120 -0.007 0.000 0.291 160 V C -0.221 175.998 176.094 0.208 0.000 1.018 160 V CA -0.767 61.665 62.300 0.220 0.000 0.842 160 V CB 1.585 33.581 31.823 0.289 0.000 0.996 160 V HN 0.643 nan 8.190 nan 0.000 0.426 161 S N 4.949 120.729 115.700 0.134 0.000 2.475 161 S HA 0.761 5.227 4.470 -0.007 0.000 0.281 161 S C -0.470 174.219 174.600 0.148 0.000 1.198 161 S CA -0.369 57.905 58.200 0.122 0.000 1.063 161 S CB 0.998 64.241 63.200 0.072 0.000 0.972 161 S HN 1.154 nan 8.310 nan 0.000 0.486 162 V N 2.375 122.404 119.914 0.191 0.000 3.078 162 V HA 0.762 4.877 4.120 -0.007 0.000 0.311 162 V C -3.073 173.147 176.094 0.210 0.000 1.138 162 V CA -2.907 59.535 62.300 0.235 0.000 1.007 162 V CB 1.171 33.161 31.823 0.280 0.000 1.045 162 V HN 0.615 nan 8.190 nan 0.000 0.432 163 P HA 0.119 nan 4.420 nan 0.000 0.264 163 P C 0.402 177.778 177.300 0.128 0.000 1.183 163 P CA 0.195 63.390 63.100 0.159 0.000 0.763 163 P CB 0.374 32.166 31.700 0.153 0.000 0.807 164 K N 3.672 124.128 120.400 0.092 0.000 2.280 164 K HA -0.155 4.160 4.320 -0.007 0.000 0.202 164 K C 1.057 177.697 176.600 0.066 0.000 1.047 164 K CA 1.276 57.608 56.287 0.075 0.000 0.942 164 K CB -0.277 32.249 32.500 0.043 0.000 0.739 164 K HN 0.352 nan 8.250 nan 0.000 0.457 165 E N 1.385 121.605 120.200 0.033 0.000 2.482 165 E HA 0.005 4.351 4.350 -0.007 0.000 0.196 165 E C 0.531 177.051 176.600 -0.133 0.000 1.047 165 E CA 0.251 56.626 56.400 -0.041 0.000 0.869 165 E CB -0.198 29.475 29.700 -0.046 0.000 0.836 165 E HN 0.399 nan 8.360 nan 0.000 0.520 166 L N 0.489 121.683 121.223 -0.047 0.000 2.331 166 L HA 0.509 4.844 4.340 -0.007 0.000 0.268 166 L C -0.219 176.676 176.870 0.043 0.000 1.015 166 L CA -1.320 53.480 54.840 -0.066 0.000 0.807 166 L CB 1.929 43.949 42.059 -0.065 0.000 1.293 166 L HN -0.242 nan 8.230 nan 0.000 0.451 167 V N 0.527 120.379 119.914 -0.103 0.000 2.540 167 V HA 0.638 4.754 4.120 -0.007 0.000 0.302 167 V C -0.054 175.723 176.094 -0.528 0.000 1.035 167 V CA -0.629 61.461 62.300 -0.349 0.000 0.873 167 V CB 1.687 33.384 31.823 -0.211 0.000 0.992 167 V HN 0.840 nan 8.190 nan 0.000 0.428 168 A N 5.883 128.133 122.820 -0.950 0.000 2.301 168 A HA 0.920 5.235 4.320 -0.007 0.000 0.312 168 A C -0.837 176.526 177.584 -0.368 0.000 1.182 168 A CA -0.397 51.350 52.037 -0.483 0.000 0.826 168 A CB 0.589 19.514 19.000 -0.125 0.000 1.134 168 A HN 0.789 nan 8.150 nan 0.000 0.501 169 L N 1.982 122.983 121.223 -0.370 0.000 2.371 169 L HA 0.695 5.030 4.340 -0.007 0.000 0.262 169 L C -0.189 176.334 176.870 -0.579 0.000 1.006 169 L CA -0.363 54.236 54.840 -0.402 0.000 0.818 169 L CB 2.221 43.942 42.059 -0.564 0.000 1.354 169 L HN 0.738 nan 8.230 nan 0.000 0.415 170 M N 0.044 119.205 119.600 -0.731 0.000 2.704 170 M HA 0.309 4.784 4.480 -0.007 0.000 0.284 170 M C -0.220 175.960 176.300 -0.200 0.000 1.275 170 M CA -0.727 54.240 55.300 -0.554 0.000 0.811 170 M CB 2.484 34.539 32.600 -0.909 0.000 1.741 170 M HN 0.550 nan 8.290 nan 0.000 0.458 171 S N 0.537 116.197 115.700 -0.066 0.000 4.175 171 S HA 0.653 5.118 4.470 -0.007 0.000 0.193 171 S C -0.356 174.252 174.600 0.014 0.000 1.373 171 S CA -0.348 57.835 58.200 -0.029 0.000 0.908 171 S CB -0.963 62.192 63.200 -0.075 0.000 1.547 171 S HN 0.745 nan 8.310 nan 0.000 0.440 172 A N 2.136 124.953 122.820 -0.004 0.000 2.515 172 A HA 0.585 4.901 4.320 -0.007 0.000 0.292 172 A C -1.149 176.499 177.584 0.106 0.000 1.065 172 A CA -0.948 51.077 52.037 -0.020 0.000 0.641 172 A CB 0.442 19.373 19.000 -0.116 0.000 1.306 172 A HN 0.388 nan 8.150 nan 0.000 0.441 173 I N 1.420 122.054 120.570 0.107 0.000 2.441 173 I HA 0.254 4.420 4.170 -0.007 0.000 0.287 173 I C 0.884 177.109 176.117 0.179 0.000 1.049 173 I CA -0.053 61.330 61.300 0.138 0.000 1.381 173 I CB 0.597 38.654 38.000 0.095 0.000 1.409 173 I HN 0.654 nan 8.210 nan 0.000 0.523 174 R N 3.804 124.411 120.500 0.178 0.000 2.522 174 R HA -0.014 4.321 4.340 -0.007 0.000 0.284 174 R C -0.068 176.226 176.300 -0.011 0.000 1.032 174 R CA 0.212 56.357 56.100 0.074 0.000 1.049 174 R CB 0.349 30.713 30.300 0.106 0.000 0.956 174 R HN 0.469 nan 8.270 nan 0.000 0.422 175 D N 1.452 121.772 120.400 -0.133 0.000 2.623 175 D HA 0.217 4.852 4.640 -0.007 0.000 0.252 175 D C -0.068 176.176 176.300 -0.095 0.000 1.294 175 D CA 0.526 54.479 54.000 -0.077 0.000 0.824 175 D CB 0.501 41.271 40.800 -0.050 0.000 1.070 175 D HN 0.765 nan 8.370 nan 0.000 0.487 176 G N 0.822 109.561 108.800 -0.101 0.000 2.555 176 G HA2 0.081 4.037 3.960 -0.007 0.000 0.686 176 G HA3 0.081 4.037 3.960 -0.007 0.000 0.686 176 G C -0.990 173.824 174.900 -0.143 0.000 1.275 176 G CA -0.447 44.602 45.100 -0.085 0.000 0.871 176 G HN 0.323 nan 8.290 nan 0.000 0.603 177 E N -1.654 118.448 120.200 -0.162 0.000 2.356 177 E HA 0.817 5.162 4.350 -0.007 0.000 0.275 177 E C -0.328 176.132 176.600 -0.233 0.000 0.904 177 E CA -0.431 55.778 56.400 -0.319 0.000 0.757 177 E CB 2.406 31.790 29.700 -0.527 0.000 1.232 177 E HN 1.425 nan 8.360 nan 0.000 0.442 178 T N -1.271 113.136 114.554 -0.244 0.000 2.843 178 T HA 0.575 4.921 4.350 -0.007 0.000 0.302 178 T C -2.914 171.699 174.700 -0.146 0.000 1.232 178 T CA -2.217 59.792 62.100 -0.151 0.000 1.009 178 T CB 1.276 70.088 68.868 -0.094 0.000 1.254 178 T HN 0.260 nan 8.240 nan 0.000 0.504 179 P HA 0.233 nan 4.420 nan 0.000 0.271 179 P C -0.670 176.601 177.300 -0.049 0.000 1.218 179 P CA -0.171 62.889 63.100 -0.065 0.000 0.780 179 P CB 0.278 31.954 31.700 -0.039 0.000 0.901 180 D N 3.485 123.866 120.400 -0.032 0.000 2.358 180 D HA 0.042 4.678 4.640 -0.007 0.000 0.258 180 D C -1.483 174.813 176.300 -0.007 0.000 1.223 180 D CA -1.762 52.230 54.000 -0.013 0.000 0.886 180 D CB 0.497 41.300 40.800 0.005 0.000 1.120 180 D HN 0.118 nan 8.370 nan 0.000 0.482 181 P HA -0.122 nan 4.420 nan 0.000 0.219 181 P C 0.716 178.018 177.300 0.002 0.000 1.146 181 P CA 0.964 64.063 63.100 -0.003 0.000 0.808 181 P CB 0.108 31.807 31.700 -0.002 0.000 0.779 182 E N -1.413 118.790 120.200 0.005 0.000 2.463 182 E HA 0.067 4.412 4.350 -0.007 0.000 0.193 182 E C -0.199 176.407 176.600 0.010 0.000 1.041 182 E CA -0.063 56.342 56.400 0.007 0.000 0.879 182 E CB -0.064 29.641 29.700 0.008 0.000 0.997 182 E HN -0.011 nan 8.360 nan 0.000 0.478 183 D N 0.300 120.707 120.400 0.011 0.000 2.369 183 D HA 0.123 4.758 4.640 -0.007 0.000 0.212 183 D C -2.369 173.940 176.300 0.015 0.000 1.326 183 D CA -1.735 52.274 54.000 0.016 0.000 0.933 183 D CB 1.890 42.704 40.800 0.023 0.000 1.516 183 D HN -0.255 nan 8.370 nan 0.000 0.557 184 P HA -0.105 nan 4.420 nan 0.000 0.219 184 P C 1.101 178.412 177.300 0.018 0.000 1.146 184 P CA 1.049 64.156 63.100 0.012 0.000 0.808 184 P CB 0.229 31.936 31.700 0.012 0.000 0.779 185 S N -2.333 113.384 115.700 0.027 0.000 2.631 185 S HA 0.166 4.631 4.470 -0.007 0.000 0.217 185 S C 0.720 175.350 174.600 0.050 0.000 0.958 185 S CA -0.281 57.942 58.200 0.039 0.000 0.920 185 S CB -0.347 62.879 63.200 0.044 0.000 0.776 185 S HN 0.022 nan 8.310 nan 0.000 0.517 186 R N 0.151 120.676 120.500 0.041 0.000 2.795 186 R HA 0.607 4.943 4.340 -0.007 0.000 0.275 186 R C -1.100 175.212 176.300 0.021 0.000 0.981 186 R CA -0.779 55.352 56.100 0.052 0.000 0.917 186 R CB 1.666 32.001 30.300 0.059 0.000 1.202 186 R HN 0.106 nan 8.270 nan 0.000 0.469 187 K N 1.370 121.784 120.400 0.023 0.000 2.267 187 K HA 0.528 4.844 4.320 -0.007 0.000 0.246 187 K C -0.716 175.844 176.600 -0.066 0.000 0.954 187 K CA -0.645 55.593 56.287 -0.082 0.000 0.824 187 K CB 1.934 34.324 32.500 -0.185 0.000 1.167 187 K HN 0.376 nan 8.250 nan 0.000 0.431 188 I N 3.045 123.524 120.570 -0.152 0.000 2.339 188 I HA 0.258 4.424 4.170 -0.007 0.000 0.290 188 I C -0.994 174.994 176.117 -0.214 0.000 0.994 188 I CA -0.758 60.497 61.300 -0.074 0.000 1.191 188 I CB 0.731 38.711 38.000 -0.033 0.000 1.343 188 I HN 0.442 nan 8.210 nan 0.000 0.458 189 Y N 5.454 125.738 120.300 -0.026 0.000 2.342 189 Y HA 0.442 4.987 4.550 -0.007 0.000 0.334 189 Y C 0.046 175.740 175.900 -0.343 0.000 1.067 189 Y CA -0.577 57.406 58.100 -0.194 0.000 1.128 189 Y CB 1.476 39.861 38.460 -0.125 0.000 1.200 189 Y HN 0.391 nan 8.280 nan 0.000 0.464 190 K N 3.177 123.321 120.400 -0.426 0.000 2.156 190 K HA 0.704 5.020 4.320 -0.007 0.000 0.254 190 K C -1.667 174.482 176.600 -0.752 0.000 0.950 190 K CA -0.692 55.384 56.287 -0.352 0.000 0.849 190 K CB 1.562 33.982 32.500 -0.134 0.000 1.100 190 K HN 0.402 nan 8.250 nan 0.000 0.434 191 F N 1.604 121.611 119.950 0.095 0.000 2.619 191 F HA 0.476 4.999 4.527 -0.007 0.000 0.308 191 F C -0.692 175.110 175.800 0.004 0.000 1.097 191 F CA -1.080 56.950 58.000 0.051 0.000 0.953 191 F CB 1.464 40.508 39.000 0.072 0.000 1.287 191 F HN 0.106 nan 8.300 nan 0.000 0.446 192 I N 2.347 122.982 120.570 0.108 0.000 2.478 192 I HA 0.324 4.490 4.170 -0.007 0.000 0.287 192 I C -1.067 174.962 176.117 -0.147 0.000 1.042 192 I CA -0.725 60.568 61.300 -0.011 0.000 1.067 192 I CB 1.737 39.751 38.000 0.024 0.000 1.233 192 I HN 0.537 nan 8.210 nan 0.000 0.431 193 Q N 5.474 125.057 119.800 -0.361 0.000 2.425 193 Q HA 0.348 4.683 4.340 -0.007 0.000 0.254 193 Q C 0.041 175.970 176.000 -0.119 0.000 1.032 193 Q CA -0.118 55.495 55.803 -0.318 0.000 0.798 193 Q CB 1.309 29.641 28.738 -0.676 0.000 1.210 193 Q HN 0.490 nan 8.270 nan 0.000 0.491 194 K N 1.791 122.159 120.400 -0.053 0.000 2.418 194 K HA 0.145 4.461 4.320 -0.007 0.000 0.195 194 K C -0.166 176.388 176.600 -0.076 0.000 1.035 194 K CA 0.246 56.506 56.287 -0.045 0.000 1.003 194 K CB 0.641 33.105 32.500 -0.060 0.000 0.793 194 K HN 0.320 nan 8.250 nan 0.000 0.494 195 V N 3.487 123.360 119.914 -0.068 0.000 2.407 195 V HA 0.175 4.291 4.120 -0.007 0.000 0.278 195 V C -2.423 173.689 176.094 0.029 0.000 1.037 195 V CA -2.437 59.786 62.300 -0.127 0.000 0.900 195 V CB 1.084 32.656 31.823 -0.420 0.000 0.983 195 V HN -0.018 nan 8.190 nan 0.000 0.459 196 P HA 0.289 nan 4.420 nan 0.000 0.267 196 P C -0.607 176.780 177.300 0.145 0.000 1.205 196 P CA 0.248 63.393 63.100 0.074 0.000 0.765 196 P CB 0.294 32.015 31.700 0.034 0.000 0.828 197 I N 0.864 121.506 120.570 0.120 0.000 2.828 197 I HA 0.704 4.870 4.170 -0.007 0.000 0.302 197 I C -2.789 173.311 176.117 -0.027 0.000 1.101 197 I CA -3.480 57.864 61.300 0.074 0.000 1.031 197 I CB 2.627 40.671 38.000 0.072 0.000 1.231 197 I HN 0.063 nan 8.210 nan 0.000 0.427 198 P HA 0.056 nan 4.420 nan 0.000 0.272 198 P C 0.786 177.961 177.300 -0.207 0.000 1.223 198 P CA -0.352 62.653 63.100 -0.159 0.000 0.784 198 P CB 1.067 32.638 31.700 -0.215 0.000 0.923 199 C N 0.656 119.911 119.300 -0.075 0.000 2.456 199 C HA -0.079 4.377 4.460 -0.007 0.000 0.279 199 C C 2.579 177.544 174.990 -0.042 0.000 1.427 199 C CA 0.223 59.197 59.018 -0.073 0.000 1.778 199 C CB -2.568 25.148 27.740 -0.040 0.000 1.842 199 C HN 0.627 nan 8.230 nan 0.000 0.531 200 Y N 1.087 121.419 120.300 0.052 0.000 2.483 200 Y HA 0.183 4.729 4.550 -0.006 0.000 0.291 200 Y C 1.773 177.665 175.900 -0.013 0.000 1.143 200 Y CA 0.697 58.836 58.100 0.066 0.000 1.289 200 Y CB -0.931 37.668 38.460 0.233 0.000 0.983 200 Y HN 0.286 nan 8.280 nan 0.000 0.556 201 L N 0.847 121.853 121.223 -0.361 0.000 2.592 201 L HA 0.209 4.545 4.340 -0.007 0.000 0.227 201 L C 0.322 177.075 176.870 -0.194 0.000 1.127 201 L CA -0.166 54.490 54.840 -0.306 0.000 0.884 201 L CB -0.115 41.686 42.059 -0.429 0.000 1.065 201 L HN 0.151 nan 8.230 nan 0.000 0.457 202 I N 1.002 121.458 120.570 -0.190 0.000 2.533 202 I HA 0.172 4.338 4.170 -0.007 0.000 0.284 202 I C 0.467 176.453 176.117 -0.218 0.000 1.109 202 I CA 0.202 61.342 61.300 -0.266 0.000 1.412 202 I CB 0.672 38.427 38.000 -0.408 0.000 1.396 202 I HN 0.034 nan 8.210 nan 0.000 0.543 203 A N 7.004 129.696 122.820 -0.213 0.000 2.539 203 A HA 0.896 5.211 4.320 -0.007 0.000 0.296 203 A C -1.586 175.929 177.584 -0.116 0.000 1.073 203 A CA -0.507 51.416 52.037 -0.188 0.000 0.700 203 A CB 1.902 20.642 19.000 -0.432 0.000 1.296 203 A HN 0.554 nan 8.150 nan 0.000 0.405 204 L N 1.396 122.617 121.223 -0.004 0.000 2.493 204 L HA 0.787 5.122 4.340 -0.007 0.000 0.265 204 L C -1.568 175.309 176.870 0.013 0.000 0.954 204 L CA -0.497 54.295 54.840 -0.080 0.000 0.844 204 L CB 1.873 43.843 42.059 -0.149 0.000 1.302 204 L HN 1.006 nan 8.230 nan 0.000 0.405 205 V N 5.718 125.561 119.914 -0.117 0.000 2.735 205 V HA 0.873 4.989 4.120 -0.007 0.000 0.310 205 V C -1.458 174.444 176.094 -0.319 0.000 1.061 205 V CA -0.345 61.821 62.300 -0.223 0.000 0.913 205 V CB 2.356 33.959 31.823 -0.366 0.000 1.005 205 V HN 0.597 nan 8.190 nan 0.000 0.428 206 V N 5.922 125.623 119.914 -0.356 0.000 2.569 206 V HA 1.004 5.120 4.120 -0.007 0.000 0.301 206 V C 0.350 176.207 176.094 -0.395 0.000 1.044 206 V CA 0.461 62.606 62.300 -0.258 0.000 0.874 206 V CB 0.995 32.821 31.823 0.004 0.000 1.002 206 V HN 1.322 nan 8.190 nan 0.000 0.424 207 G N 2.756 111.318 108.800 -0.398 0.000 2.428 207 G HA2 0.610 4.565 3.960 -0.007 0.000 0.304 207 G HA3 0.610 4.565 3.960 -0.007 0.000 0.304 207 G C -0.892 173.911 174.900 -0.160 0.000 1.303 207 G CA -0.094 44.794 45.100 -0.353 0.000 0.825 207 G HN 1.046 nan 8.290 nan 0.000 0.484 208 A N 0.439 123.243 122.820 -0.027 0.000 2.981 208 A HA 0.612 4.927 4.320 -0.007 0.000 0.280 208 A C 0.127 177.758 177.584 0.079 0.000 1.743 208 A CA 0.055 52.081 52.037 -0.018 0.000 1.430 208 A CB -1.065 17.949 19.000 0.024 0.000 1.085 208 A HN 0.503 nan 8.150 nan 0.000 0.597 209 L N 1.308 122.576 121.223 0.075 0.000 2.322 209 L HA 0.518 4.853 4.340 -0.007 0.000 0.279 209 L C 0.346 177.366 176.870 0.250 0.000 1.036 209 L CA -0.302 54.650 54.840 0.187 0.000 0.807 209 L CB 1.635 43.801 42.059 0.177 0.000 1.226 209 L HN 0.590 nan 8.230 nan 0.000 0.433 210 E N 0.836 121.171 120.200 0.225 0.000 2.336 210 E HA 0.576 4.922 4.350 -0.007 0.000 0.267 210 E C -1.216 175.329 176.600 -0.093 0.000 0.906 210 E CA -0.639 55.816 56.400 0.091 0.000 0.781 210 E CB 2.576 32.299 29.700 0.038 0.000 1.261 210 E HN 0.631 nan 8.360 nan 0.000 0.436 211 S N 1.366 116.825 115.700 -0.401 0.000 2.570 211 S HA 0.721 5.186 4.470 -0.007 0.000 0.286 211 S C -0.721 173.627 174.600 -0.420 0.000 1.099 211 S CA -0.976 56.762 58.200 -0.770 0.000 0.913 211 S CB 2.281 64.432 63.200 -1.748 0.000 1.085 211 S HN 0.542 nan 8.310 nan 0.000 0.480 212 R N 0.936 121.225 120.500 -0.351 0.000 2.574 212 R HA 0.368 4.703 4.340 -0.007 0.000 0.288 212 R C -1.134 175.072 176.300 -0.157 0.000 1.004 212 R CA -0.437 55.550 56.100 -0.188 0.000 0.895 212 R CB 1.817 32.059 30.300 -0.096 0.000 1.191 212 R HN 0.882 nan 8.270 nan 0.000 0.444 213 Q N 4.054 123.791 119.800 -0.104 0.000 2.332 213 Q HA 0.205 4.540 4.340 -0.007 0.000 0.263 213 Q C 0.451 176.445 176.000 -0.011 0.000 0.979 213 Q CA 0.098 55.869 55.803 -0.053 0.000 0.885 213 Q CB 0.808 29.528 28.738 -0.029 0.000 1.218 213 Q HN 0.771 nan 8.270 nan 0.000 0.405 214 I N -0.173 120.408 120.570 0.019 0.000 4.442 214 I HA 0.592 4.757 4.170 -0.007 0.000 0.331 214 I C 0.267 176.415 176.117 0.051 0.000 1.364 214 I CA -0.306 61.020 61.300 0.043 0.000 1.207 214 I CB 1.104 39.147 38.000 0.071 0.000 1.298 214 I HN 0.522 nan 8.210 nan 0.000 0.463 215 G N 1.326 110.157 108.800 0.051 0.000 2.559 215 G HA2 0.392 4.347 3.960 -0.007 0.000 0.291 215 G HA3 0.392 4.347 3.960 -0.007 0.000 0.291 215 G C -2.743 172.189 174.900 0.053 0.000 1.424 215 G CA -0.445 44.687 45.100 0.053 0.000 0.786 215 G HN -0.246 nan 8.290 nan 0.000 0.485 216 P HA -0.051 nan 4.420 nan 0.000 0.222 216 P C 0.834 178.176 177.300 0.071 0.000 1.147 216 P CA 0.942 64.074 63.100 0.053 0.000 0.790 216 P CB 0.196 31.926 31.700 0.049 0.000 0.780 217 R N -2.059 118.491 120.500 0.084 0.000 2.642 217 R HA 0.379 4.715 4.340 -0.007 0.000 0.435 217 R C -0.709 175.675 176.300 0.140 0.000 1.046 217 R CA -0.327 55.842 56.100 0.114 0.000 1.103 217 R CB -0.175 30.199 30.300 0.123 0.000 1.425 217 R HN -0.199 nan 8.270 nan 0.000 0.586 218 T N 1.622 116.247 114.554 0.118 0.000 2.937 218 T HA 0.414 4.759 4.350 -0.007 0.000 0.297 218 T C -1.305 173.439 174.700 0.073 0.000 0.991 218 T CA -0.560 61.617 62.100 0.128 0.000 0.990 218 T CB 1.814 70.782 68.868 0.166 0.000 0.991 218 T HN -0.042 nan 8.240 nan 0.000 0.440 219 L N 3.597 124.854 121.223 0.056 0.000 2.325 219 L HA 0.673 5.009 4.340 -0.007 0.000 0.278 219 L C 0.068 176.902 176.870 -0.059 0.000 1.023 219 L CA -0.983 53.812 54.840 -0.077 0.000 0.811 219 L CB 1.733 43.652 42.059 -0.233 0.000 1.249 219 L HN 0.582 nan 8.230 nan 0.000 0.431 220 V N -0.847 119.007 119.914 -0.100 0.000 2.465 220 V HA 0.573 4.689 4.120 -0.007 0.000 0.279 220 V C -1.068 174.926 176.094 -0.167 0.000 1.045 220 V CA -0.704 61.592 62.300 -0.007 0.000 0.938 220 V CB 0.775 32.665 31.823 0.111 0.000 0.986 220 V HN 0.671 nan 8.190 nan 0.000 0.467 221 W N 3.392 124.694 121.300 0.002 0.000 2.573 221 W HA 0.807 5.463 4.660 -0.007 0.000 0.326 221 W C 0.313 176.822 176.519 -0.017 0.000 1.049 221 W CA 0.239 57.574 57.345 -0.016 0.000 1.220 221 W CB 2.143 31.568 29.460 -0.058 0.000 1.373 221 W HN 1.082 nan 8.180 nan 0.000 0.507 222 S N -0.098 115.743 115.700 0.234 0.000 2.655 222 S HA 0.359 4.824 4.470 -0.007 0.000 0.266 222 S C -0.941 173.755 174.600 0.161 0.000 1.149 222 S CA -1.323 56.975 58.200 0.163 0.000 0.818 222 S CB 1.119 64.384 63.200 0.107 0.000 1.130 222 S HN 0.486 nan 8.310 nan 0.000 0.476 223 E N 0.927 121.214 120.200 0.144 0.000 2.436 223 E HA 0.074 4.419 4.350 -0.007 0.000 0.262 223 E C 0.872 177.524 176.600 0.086 0.000 1.063 223 E CA -0.221 56.255 56.400 0.127 0.000 0.944 223 E CB 0.484 30.249 29.700 0.108 0.000 0.950 223 E HN 0.633 nan 8.360 nan 0.000 0.444 224 K N 2.137 122.583 120.400 0.077 0.000 2.113 224 K HA -0.265 4.050 4.320 -0.007 0.000 0.208 224 K C 1.275 177.898 176.600 0.039 0.000 1.047 224 K CA 1.818 58.137 56.287 0.053 0.000 0.928 224 K CB 0.077 32.608 32.500 0.052 0.000 0.716 224 K HN 0.359 nan 8.250 nan 0.000 0.446 225 E N 0.247 120.471 120.200 0.040 0.000 2.265 225 E HA -0.179 4.167 4.350 -0.007 0.000 0.196 225 E C 1.521 178.134 176.600 0.022 0.000 0.996 225 E CA 1.163 57.579 56.400 0.027 0.000 0.832 225 E CB 0.093 29.808 29.700 0.026 0.000 0.756 225 E HN 0.322 nan 8.360 nan 0.000 0.491 226 Q N -1.199 118.619 119.800 0.030 0.000 2.281 226 Q HA 0.146 4.482 4.340 -0.007 0.000 0.215 226 Q C 1.649 177.669 176.000 0.033 0.000 0.867 226 Q CA -0.027 55.794 55.803 0.029 0.000 0.940 226 Q CB 0.728 29.489 28.738 0.038 0.000 1.111 226 Q HN 0.082 nan 8.270 nan 0.000 0.513 227 V N 0.804 120.736 119.914 0.031 0.000 2.287 227 V HA -0.302 3.813 4.120 -0.007 0.000 0.248 227 V C 2.165 178.269 176.094 0.017 0.000 1.053 227 V CA 2.315 64.629 62.300 0.024 0.000 1.027 227 V CB -0.325 31.501 31.823 0.004 0.000 0.646 227 V HN 0.474 nan 8.190 nan 0.000 0.447 228 E N 0.249 120.454 120.200 0.008 0.000 2.031 228 E HA -0.298 4.048 4.350 -0.007 0.000 0.193 228 E C 2.328 178.935 176.600 0.011 0.000 0.994 228 E CA 1.742 58.146 56.400 0.007 0.000 0.800 228 E CB -0.105 29.592 29.700 -0.006 0.000 0.752 228 E HN 0.554 nan 8.360 nan 0.000 0.447 229 K N 0.057 120.453 120.400 -0.007 0.000 2.063 229 K HA -0.121 4.195 4.320 -0.007 0.000 0.208 229 K C 2.206 178.771 176.600 -0.058 0.000 1.048 229 K CA 1.751 58.024 56.287 -0.023 0.000 0.928 229 K CB -0.032 32.447 32.500 -0.034 0.000 0.713 229 K HN -0.021 nan 8.250 nan 0.000 0.442 230 S N 0.371 116.035 115.700 -0.059 0.000 2.368 230 S HA -0.104 4.362 4.470 -0.007 0.000 0.224 230 S C 2.007 176.566 174.600 -0.068 0.000 1.029 230 S CA 1.012 59.139 58.200 -0.123 0.000 0.988 230 S CB -0.259 63.020 63.200 0.132 0.000 0.838 230 S HN 0.525 nan 8.310 nan 0.000 0.462 231 A N 0.517 123.358 122.820 0.035 0.000 1.908 231 A HA -0.154 4.162 4.320 -0.007 0.000 0.218 231 A C 1.975 179.591 177.584 0.052 0.000 1.181 231 A CA 1.676 53.752 52.037 0.066 0.000 0.627 231 A CB -0.884 18.149 19.000 0.055 0.000 0.818 231 A HN 0.609 nan 8.150 nan 0.000 0.445 232 Y N 0.158 120.412 120.300 -0.076 0.000 2.220 232 Y HA -0.088 4.457 4.550 -0.007 0.000 0.291 232 Y C 2.337 178.162 175.900 -0.125 0.000 1.129 232 Y CA 2.075 60.131 58.100 -0.073 0.000 1.161 232 Y CB -0.231 38.186 38.460 -0.071 0.000 0.997 232 Y HN 0.385 nan 8.280 nan 0.000 0.522 233 E N -0.062 120.014 120.200 -0.206 0.000 2.118 233 E HA -0.171 4.174 4.350 -0.007 0.000 0.195 233 E C 0.806 177.153 176.600 -0.421 0.000 0.992 233 E CA 1.595 57.723 56.400 -0.454 0.000 0.804 233 E CB -0.355 28.822 29.700 -0.873 0.000 0.741 233 E HN 0.456 nan 8.360 nan 0.000 0.458 234 F N -0.070 119.892 119.950 0.020 0.000 2.668 234 F HA 0.246 4.768 4.527 -0.007 0.000 0.297 234 F C 1.719 177.528 175.800 0.014 0.000 1.124 234 F CA 0.157 58.181 58.000 0.040 0.000 1.353 234 F CB -0.383 38.666 39.000 0.082 0.000 0.992 234 F HN -0.014 nan 8.300 nan 0.000 0.524 235 S N -0.773 114.952 115.700 0.042 0.000 2.474 235 S HA -0.167 4.299 4.470 -0.007 0.000 0.235 235 S C 1.361 175.979 174.600 0.030 0.000 0.997 235 S CA 0.961 59.163 58.200 0.004 0.000 0.949 235 S CB -0.449 62.678 63.200 -0.121 0.000 0.766 235 S HN 0.533 nan 8.310 nan 0.000 0.517 236 E N 0.870 121.106 120.200 0.061 0.000 2.502 236 E HA 0.026 4.372 4.350 -0.007 0.000 0.194 236 E C 1.512 178.157 176.600 0.076 0.000 1.062 236 E CA 0.633 57.072 56.400 0.065 0.000 0.867 236 E CB -0.283 29.474 29.700 0.096 0.000 0.888 236 E HN 0.539 nan 8.360 nan 0.000 0.510 237 T N 1.279 115.902 114.554 0.114 0.000 2.635 237 T HA -0.257 4.088 4.350 -0.007 0.000 0.267 237 T C 1.808 176.530 174.700 0.037 0.000 1.040 237 T CA 1.821 63.987 62.100 0.109 0.000 1.156 237 T CB -0.191 68.792 68.868 0.192 0.000 0.863 237 T HN 0.180 nan 8.240 nan 0.000 0.430 238 E N 1.441 121.666 120.200 0.042 0.000 2.085 238 E HA -0.144 4.202 4.350 -0.007 0.000 0.194 238 E C 2.359 178.954 176.600 -0.009 0.000 0.994 238 E CA 1.833 58.240 56.400 0.011 0.000 0.801 238 E CB -0.433 29.282 29.700 0.025 0.000 0.743 238 E HN 0.584 nan 8.360 nan 0.000 0.453 239 S N -0.455 115.242 115.700 -0.005 0.000 2.382 239 S HA -0.190 4.276 4.470 -0.007 0.000 0.228 239 S C 2.142 176.722 174.600 -0.034 0.000 1.027 239 S CA 1.427 59.614 58.200 -0.022 0.000 0.991 239 S CB -0.408 62.772 63.200 -0.032 0.000 0.823 239 S HN 0.292 nan 8.310 nan 0.000 0.469 240 M N 0.907 120.492 119.600 -0.025 0.000 2.132 240 M HA 0.056 4.532 4.480 -0.007 0.000 0.263 240 M C 2.257 178.527 176.300 -0.051 0.000 1.065 240 M CA 1.326 56.609 55.300 -0.028 0.000 1.122 240 M CB -0.665 31.937 32.600 0.003 0.000 1.365 240 M HN 0.292 nan 8.290 nan 0.000 0.411 241 L N -0.115 121.061 121.223 -0.079 0.000 2.042 241 L HA -0.237 4.098 4.340 -0.007 0.000 0.210 241 L C 2.466 179.326 176.870 -0.018 0.000 1.076 241 L CA 1.270 56.059 54.840 -0.085 0.000 0.749 241 L CB -0.540 41.410 42.059 -0.182 0.000 0.893 241 L HN 0.186 nan 8.230 nan 0.000 0.432 242 K N 0.291 120.677 120.400 -0.023 0.000 2.032 242 K HA -0.157 4.158 4.320 -0.007 0.000 0.209 242 K C 1.881 178.461 176.600 -0.035 0.000 1.048 242 K CA 1.547 57.828 56.287 -0.010 0.000 0.927 242 K CB -0.241 32.251 32.500 -0.013 0.000 0.712 242 K HN 0.199 nan 8.250 nan 0.000 0.441 243 I N -0.026 120.511 120.570 -0.055 0.000 2.252 243 I HA -0.252 3.914 4.170 -0.007 0.000 0.245 243 I C 2.257 178.290 176.117 -0.139 0.000 1.102 243 I CA 1.102 62.356 61.300 -0.077 0.000 1.385 243 I CB -0.383 37.580 38.000 -0.062 0.000 1.064 243 I HN 0.148 nan 8.210 nan 0.000 0.414 244 A N 0.682 123.399 122.820 -0.171 0.000 1.917 244 A HA -0.261 4.055 4.320 -0.007 0.000 0.219 244 A C 2.232 179.427 177.584 -0.647 0.000 1.182 244 A CA 1.971 53.770 52.037 -0.397 0.000 0.633 244 A CB -0.662 18.170 19.000 -0.279 0.000 0.819 244 A HN 0.474 nan 8.150 nan 0.000 0.448 245 E N -0.832 119.214 120.200 -0.257 0.000 2.106 245 E HA -0.209 4.136 4.350 -0.007 0.000 0.192 245 E C 1.762 178.291 176.600 -0.119 0.000 0.984 245 E CA 1.099 57.461 56.400 -0.063 0.000 0.806 245 E CB -0.195 29.601 29.700 0.160 0.000 0.750 245 E HN 0.714 nan 8.360 nan 0.000 0.458 246 D N 0.734 121.066 120.400 -0.114 0.000 2.097 246 D HA -0.146 4.490 4.640 -0.007 0.000 0.195 246 D C 1.887 178.100 176.300 -0.144 0.000 0.989 246 D CA 1.030 54.974 54.000 -0.094 0.000 0.827 246 D CB 0.012 40.771 40.800 -0.069 0.000 0.966 246 D HN 0.078 nan 8.370 nan 0.000 0.456 247 L N -1.028 120.061 121.223 -0.223 0.000 2.109 247 L HA 0.151 4.487 4.340 -0.007 0.000 0.207 247 L C 2.349 179.035 176.870 -0.308 0.000 1.086 247 L CA 1.210 55.909 54.840 -0.235 0.000 0.760 247 L CB -0.240 41.680 42.059 -0.232 0.000 0.910 247 L HN 0.167 nan 8.230 nan 0.000 0.437 248 G N -1.311 107.153 108.800 -0.561 0.000 2.939 248 G HA2 0.459 4.414 3.960 -0.007 0.000 0.216 248 G HA3 0.459 4.414 3.960 -0.007 0.000 0.216 248 G C 0.684 175.402 174.900 -0.303 0.000 1.125 248 G CA 0.486 45.159 45.100 -0.712 0.000 0.766 248 G HN 0.507 nan 8.290 nan 0.000 0.541 249 G N -0.200 108.528 108.800 -0.120 0.000 2.610 249 G HA2 -0.021 3.934 3.960 -0.007 0.000 0.304 249 G HA3 -0.021 3.934 3.960 -0.007 0.000 0.304 249 G C -2.999 172.144 174.900 0.405 0.000 1.309 249 G CA -0.743 44.438 45.100 0.135 0.000 0.906 249 G HN 0.169 nan 8.290 nan 0.000 0.521 250 P HA 0.206 nan 4.420 nan 0.000 0.262 250 P C -0.442 177.105 177.300 0.410 0.000 1.182 250 P CA 0.279 63.561 63.100 0.303 0.000 0.761 250 P CB 0.146 31.928 31.700 0.136 0.000 0.795 251 Y N 4.574 125.056 120.300 0.304 0.000 2.480 251 Y HA 0.175 4.721 4.550 -0.008 0.000 0.341 251 Y C 1.210 177.088 175.900 -0.037 0.000 1.031 251 Y CA -0.036 58.116 58.100 0.086 0.000 1.295 251 Y CB 0.380 38.956 38.460 0.194 0.000 1.162 251 Y HN 0.214 nan 8.280 nan 0.000 0.523 252 V N 2.912 122.394 119.914 -0.720 0.000 3.647 252 V HA 0.057 4.173 4.120 -0.007 0.000 0.279 252 V C 0.547 176.190 176.094 -0.751 0.000 1.314 252 V CA 0.131 62.025 62.300 -0.677 0.000 1.125 252 V CB -0.732 30.652 31.823 -0.733 0.000 0.907 252 V HN 0.832 nan 8.190 nan 0.000 0.434 253 W N 1.260 122.099 121.300 -0.770 0.000 3.278 253 W HA 0.660 5.316 4.660 -0.007 0.000 0.308 253 W C 1.857 178.313 176.519 -0.106 0.000 1.253 253 W CA 0.620 57.691 57.345 -0.456 0.000 1.759 253 W CB 0.125 29.249 29.460 -0.561 0.000 1.093 253 W HN 0.498 nan 8.180 nan 0.000 0.648 254 G N 0.720 109.628 108.800 0.179 0.000 4.163 254 G HA2 -0.400 3.555 3.960 -0.007 0.000 0.300 254 G HA3 -0.400 3.555 3.960 -0.007 0.000 0.300 254 G C 0.246 175.408 174.900 0.436 0.000 1.488 254 G CA 0.509 45.770 45.100 0.268 0.000 1.052 254 G HN 0.210 nan 8.290 nan 0.000 0.687 255 Q N 0.046 120.076 119.800 0.384 0.000 2.259 255 Q HA 0.678 5.014 4.340 -0.007 0.000 0.246 255 Q C -1.118 175.159 176.000 0.461 0.000 0.920 255 Q CA -0.569 55.443 55.803 0.349 0.000 0.895 255 Q CB 0.959 29.844 28.738 0.245 0.000 1.220 255 Q HN 0.655 nan 8.270 nan 0.000 0.439 256 Y N 2.995 123.404 120.300 0.182 0.000 2.805 256 Y HA 0.360 4.905 4.550 -0.008 0.000 0.339 256 Y C -1.332 174.635 175.900 0.111 0.000 1.012 256 Y CA -0.828 57.340 58.100 0.114 0.000 1.262 256 Y CB 0.587 38.983 38.460 -0.106 0.000 1.100 256 Y HN 0.637 nan 8.280 nan 0.000 0.559 257 D N 3.925 124.214 120.400 -0.185 0.000 2.294 257 D HA 0.492 5.128 4.640 -0.007 0.000 0.250 257 D C -0.752 175.398 176.300 -0.250 0.000 1.058 257 D CA -0.090 53.874 54.000 -0.060 0.000 0.950 257 D CB 1.890 42.812 40.800 0.203 0.000 1.158 257 D HN 0.503 nan 8.370 nan 0.000 0.453 258 L N 1.075 122.273 121.223 -0.041 0.000 2.346 258 L HA 0.496 4.832 4.340 -0.007 0.000 0.274 258 L C -0.952 175.960 176.870 0.071 0.000 1.007 258 L CA -1.063 53.734 54.840 -0.071 0.000 0.818 258 L CB 1.788 43.787 42.059 -0.099 0.000 1.284 258 L HN 0.088 nan 8.230 nan 0.000 0.424 259 L N 3.508 124.703 121.223 -0.046 0.000 2.349 259 L HA 0.574 4.910 4.340 -0.007 0.000 0.278 259 L C -0.887 175.865 176.870 -0.196 0.000 0.996 259 L CA -0.338 54.431 54.840 -0.117 0.000 0.825 259 L CB 1.911 43.718 42.059 -0.420 0.000 1.243 259 L HN 0.251 nan 8.230 nan 0.000 0.412 260 V N 6.199 126.067 119.914 -0.077 0.000 2.348 260 V HA 0.354 4.470 4.120 -0.007 0.000 0.270 260 V C 0.428 176.424 176.094 -0.164 0.000 1.037 260 V CA -0.688 61.572 62.300 -0.066 0.000 0.872 260 V CB 0.955 32.847 31.823 0.115 0.000 1.002 260 V HN 0.564 nan 8.190 nan 0.000 0.464 261 L N 6.443 127.470 121.223 -0.327 0.000 2.479 261 L HA 0.495 4.830 4.340 -0.007 0.000 0.249 261 L C -1.953 174.742 176.870 -0.291 0.000 1.178 261 L CA -1.600 52.981 54.840 -0.431 0.000 0.811 261 L CB 0.614 42.192 42.059 -0.801 0.000 1.187 261 L HN 0.387 nan 8.230 nan 0.000 0.480 262 P HA 0.182 nan 4.420 nan 0.000 0.273 262 P C -2.102 175.150 177.300 -0.081 0.000 1.250 262 P CA -1.087 61.872 63.100 -0.235 0.000 0.793 262 P CB -0.142 31.366 31.700 -0.319 0.000 1.011 263 P HA -0.121 nan 4.420 nan 0.000 0.222 263 P C 1.112 178.463 177.300 0.085 0.000 1.147 263 P CA 1.332 64.461 63.100 0.047 0.000 0.790 263 P CB -0.362 31.368 31.700 0.051 0.000 0.780 264 S N -1.884 113.894 115.700 0.131 0.000 2.607 264 S HA -0.051 4.414 4.470 -0.007 0.000 0.224 264 S C 0.568 175.293 174.600 0.209 0.000 0.969 264 S CA -0.380 57.935 58.200 0.192 0.000 0.927 264 S CB -1.387 61.980 63.200 0.277 0.000 0.772 264 S HN -0.032 nan 8.310 nan 0.000 0.533 265 F N 4.742 124.659 119.950 -0.054 0.000 2.612 265 F HA 0.211 4.735 4.527 -0.006 0.000 0.389 265 F C -1.567 174.122 175.800 -0.185 0.000 1.055 265 F CA -2.154 55.732 58.000 -0.190 0.000 1.232 265 F CB 0.755 39.542 39.000 -0.355 0.000 1.044 265 F HN 0.030 nan 8.300 nan 0.000 0.560 266 P HA -0.050 nan 4.420 nan 0.000 0.236 266 P C -0.957 175.623 177.300 -1.201 0.000 1.177 266 P CA 1.240 63.712 63.100 -1.047 0.000 0.773 266 P CB 0.139 31.067 31.700 -1.286 0.000 0.878 267 Y N -1.885 117.940 120.300 -0.792 0.000 2.633 267 Y HA 0.561 5.106 4.550 -0.008 0.000 0.339 267 Y C 2.111 177.956 175.900 -0.092 0.000 1.045 267 Y CA -0.664 57.205 58.100 -0.386 0.000 1.098 267 Y CB 0.179 38.452 38.460 -0.312 0.000 1.296 267 Y HN -0.321 nan 8.280 nan 0.000 0.494 268 G N -0.028 108.836 108.800 0.108 0.000 2.440 268 G HA2 0.261 4.217 3.960 -0.007 0.000 0.218 268 G HA3 0.261 4.217 3.960 -0.007 0.000 0.218 268 G C 0.431 175.483 174.900 0.253 0.000 1.154 268 G CA 1.045 46.209 45.100 0.105 0.000 0.767 268 G HN 0.970 nan 8.290 nan 0.000 0.552 269 G N -2.009 106.992 108.800 0.335 0.000 2.649 269 G HA2 0.541 4.496 3.960 -0.007 0.000 0.290 269 G HA3 0.541 4.496 3.960 -0.007 0.000 0.290 269 G C -1.777 173.368 174.900 0.409 0.000 1.426 269 G CA -0.585 44.738 45.100 0.372 0.000 0.794 269 G HN 0.380 nan 8.290 nan 0.000 0.483 270 M N 1.188 120.984 119.600 0.327 0.000 2.277 270 M HA 0.364 4.839 4.480 -0.007 0.000 0.282 270 M C -0.069 176.262 176.300 0.051 0.000 1.074 270 M CA -0.834 54.574 55.300 0.181 0.000 0.954 270 M CB 1.982 34.706 32.600 0.207 0.000 1.672 270 M HN 0.548 nan 8.290 nan 0.000 0.471 271 E N 2.317 122.532 120.200 0.025 0.000 2.528 271 E HA 0.051 4.396 4.350 -0.007 0.000 0.237 271 E C -1.094 175.419 176.600 -0.145 0.000 1.408 271 E CA 0.033 56.437 56.400 0.006 0.000 1.571 271 E CB -1.151 28.548 29.700 -0.002 0.000 1.395 271 E HN 0.810 nan 8.360 nan 0.000 0.438 272 N N 3.586 122.151 118.700 -0.227 0.000 2.447 272 N HA 0.055 4.790 4.740 -0.007 0.000 0.263 272 N C -2.361 172.980 175.510 -0.281 0.000 1.226 272 N CA -0.940 51.918 53.050 -0.319 0.000 0.906 272 N CB 0.460 38.628 38.487 -0.532 0.000 1.060 272 N HN 0.233 nan 8.380 nan 0.000 0.468 273 P HA -0.044 nan 4.420 nan 0.000 0.268 273 P C 0.091 177.268 177.300 -0.205 0.000 1.204 273 P CA -0.070 62.734 63.100 -0.494 0.000 0.768 273 P CB 0.616 31.866 31.700 -0.750 0.000 0.842 274 C N 0.735 119.980 119.300 -0.092 0.000 5.688 274 C HA -0.201 4.254 4.460 -0.007 0.000 0.291 274 C C 0.455 175.425 174.990 -0.032 0.000 2.111 274 C CA 0.708 59.757 59.018 0.050 0.000 1.870 274 C CB -2.455 25.337 27.740 0.087 0.000 2.828 274 C HN 0.665 nan 8.230 nan 0.000 0.449 275 L N 1.060 122.220 121.223 -0.104 0.000 2.487 275 L HA 0.445 4.780 4.340 -0.007 0.000 0.261 275 L C 0.027 176.876 176.870 -0.035 0.000 1.223 275 L CA 0.414 55.211 54.840 -0.071 0.000 0.883 275 L CB 0.685 42.759 42.059 0.025 0.000 1.065 275 L HN 0.176 nan 8.230 nan 0.000 0.488 276 T N 3.756 118.199 114.554 -0.185 0.000 2.888 276 T HA 0.314 4.659 4.350 -0.007 0.000 0.301 276 T C -0.202 174.584 174.700 0.144 0.000 1.001 276 T CA 0.617 62.688 62.100 -0.048 0.000 1.147 276 T CB -0.054 68.771 68.868 -0.071 0.000 0.931 276 T HN 0.143 nan 8.240 nan 0.000 0.541 277 F N 3.390 123.221 119.950 -0.198 0.000 2.394 277 F HA 0.539 5.062 4.527 -0.007 0.000 0.340 277 F C 0.508 176.105 175.800 -0.338 0.000 1.105 277 F CA -1.558 56.216 58.000 -0.377 0.000 1.124 277 F CB 0.890 39.543 39.000 -0.578 0.000 1.145 277 F HN 0.270 nan 8.300 nan 0.000 0.505 278 V N -0.423 119.344 119.914 -0.244 0.000 2.876 278 V HA 0.629 4.744 4.120 -0.007 0.000 0.312 278 V C -0.209 175.829 176.094 -0.094 0.000 1.085 278 V CA -0.867 61.370 62.300 -0.105 0.000 0.945 278 V CB 1.338 33.073 31.823 -0.146 0.000 1.017 278 V HN 0.747 nan 8.190 nan 0.000 0.428 279 T N 3.876 118.510 114.554 0.133 0.000 2.930 279 T HA 0.341 4.686 4.350 -0.007 0.000 0.306 279 T C -1.058 173.724 174.700 0.137 0.000 1.045 279 T CA -0.530 61.669 62.100 0.165 0.000 1.134 279 T CB 1.114 70.092 68.868 0.183 0.000 0.961 279 T HN 0.854 nan 8.240 nan 0.000 0.545 280 P HA -0.007 nan 4.420 nan 0.000 0.237 280 P C 1.269 178.653 177.300 0.140 0.000 1.178 280 P CA 0.733 63.904 63.100 0.118 0.000 0.766 280 P CB -0.354 31.382 31.700 0.059 0.000 0.876 281 T N -3.063 111.588 114.554 0.161 0.000 3.098 281 T HA 0.003 4.349 4.350 -0.007 0.000 0.266 281 T C 1.725 176.552 174.700 0.212 0.000 1.145 281 T CA 0.385 62.603 62.100 0.197 0.000 1.092 281 T CB -1.105 67.949 68.868 0.310 0.000 0.908 281 T HN 0.072 nan 8.240 nan 0.000 0.526 282 L N -0.012 121.350 121.223 0.232 0.000 2.465 282 L HA 0.244 4.579 4.340 -0.007 0.000 0.224 282 L C 1.156 178.135 176.870 0.182 0.000 1.145 282 L CA 0.453 55.455 54.840 0.270 0.000 0.834 282 L CB -0.481 41.844 42.059 0.443 0.000 0.944 282 L HN 0.314 nan 8.230 nan 0.000 0.451 283 L N 0.841 122.134 121.223 0.116 0.000 2.416 283 L HA 0.111 4.446 4.340 -0.007 0.000 0.243 283 L C 1.725 178.606 176.870 0.018 0.000 1.373 283 L CA -0.445 54.402 54.840 0.011 0.000 1.227 283 L CB -0.065 41.995 42.059 0.002 0.000 1.428 283 L HN 0.099 nan 8.230 nan 0.000 0.425 284 A N 0.743 123.581 122.820 0.031 0.000 2.119 284 A HA 0.164 4.480 4.320 -0.007 0.000 0.217 284 A C 1.969 179.563 177.584 0.016 0.000 1.153 284 A CA 1.011 53.064 52.037 0.026 0.000 0.692 284 A CB -0.210 18.809 19.000 0.031 0.000 0.799 284 A HN 0.775 nan 8.150 nan 0.000 0.458 285 G N -0.266 108.549 108.800 0.024 0.000 2.176 285 G HA2 -0.287 3.669 3.960 -0.007 0.000 0.253 285 G HA3 -0.287 3.669 3.960 -0.007 0.000 0.253 285 G C 0.231 175.204 174.900 0.122 0.000 0.979 285 G CA 0.984 46.108 45.100 0.039 0.000 0.641 285 G HN 0.983 nan 8.290 nan 0.000 0.530 286 D N -0.615 119.853 120.400 0.113 0.000 2.562 286 D HA 0.234 4.869 4.640 -0.007 0.000 0.246 286 D C 0.972 177.323 176.300 0.084 0.000 1.347 286 D CA 0.319 54.399 54.000 0.134 0.000 0.800 286 D CB -0.452 40.379 40.800 0.051 0.000 1.111 286 D HN 0.469 nan 8.370 nan 0.000 0.508 287 K N -0.176 120.259 120.400 0.059 0.000 3.407 287 K HA -0.240 4.076 4.320 -0.007 0.000 0.312 287 K C 1.202 177.858 176.600 0.094 0.000 1.302 287 K CA 1.121 57.434 56.287 0.043 0.000 0.931 287 K CB -2.263 30.233 32.500 -0.006 0.000 1.257 287 K HN 0.342 nan 8.250 nan 0.000 0.454 288 S N 0.375 116.108 115.700 0.055 0.000 2.474 288 S HA -0.040 4.426 4.470 -0.007 0.000 0.235 288 S C 1.322 175.999 174.600 0.129 0.000 0.997 288 S CA 0.681 58.894 58.200 0.022 0.000 0.949 288 S CB -0.049 63.049 63.200 -0.170 0.000 0.766 288 S HN 0.415 nan 8.310 nan 0.000 0.517 289 L N 2.382 123.699 121.223 0.158 0.000 2.791 289 L HA 0.280 4.615 4.340 -0.007 0.000 0.239 289 L C 1.871 178.900 176.870 0.267 0.000 1.203 289 L CA 0.238 55.204 54.840 0.210 0.000 1.002 289 L CB -0.184 41.992 42.059 0.194 0.000 1.295 289 L HN 0.417 nan 8.230 nan 0.000 0.504 290 S N -0.806 115.067 115.700 0.289 0.000 2.603 290 S HA -0.132 4.334 4.470 -0.007 0.000 0.229 290 S C 1.716 176.487 174.600 0.286 0.000 0.972 290 S CA 0.616 59.005 58.200 0.315 0.000 0.935 290 S CB -0.494 62.894 63.200 0.312 0.000 0.769 290 S HN 0.655 nan 8.310 nan 0.000 0.536 291 N N 2.227 121.096 118.700 0.281 0.000 2.223 291 N HA -0.122 4.614 4.740 -0.007 0.000 0.185 291 N C 1.511 177.154 175.510 0.222 0.000 1.016 291 N CA 1.429 54.626 53.050 0.246 0.000 0.863 291 N CB -0.815 37.801 38.487 0.215 0.000 0.983 291 N HN 0.407 nan 8.380 nan 0.000 0.429 292 V N 1.798 121.834 119.914 0.203 0.000 2.332 292 V HA -0.199 3.917 4.120 -0.007 0.000 0.248 292 V C 2.620 178.848 176.094 0.223 0.000 1.055 292 V CA 1.124 63.536 62.300 0.186 0.000 1.038 292 V CB -0.435 31.478 31.823 0.149 0.000 0.651 292 V HN 0.236 nan 8.190 nan 0.000 0.450 293 I N 0.746 121.431 120.570 0.191 0.000 2.226 293 I HA -0.190 3.975 4.170 -0.007 0.000 0.245 293 I C 2.750 178.981 176.117 0.191 0.000 1.100 293 I CA 1.891 63.292 61.300 0.168 0.000 1.374 293 I CB -1.790 36.294 38.000 0.140 0.000 1.057 293 I HN 0.312 nan 8.210 nan 0.000 0.413 294 A N 0.168 123.103 122.820 0.192 0.000 1.940 294 A HA -0.295 4.021 4.320 -0.007 0.000 0.219 294 A C 2.311 179.997 177.584 0.171 0.000 1.176 294 A CA 2.188 54.321 52.037 0.159 0.000 0.631 294 A CB -1.144 17.956 19.000 0.168 0.000 0.814 294 A HN 0.564 nan 8.150 nan 0.000 0.446 295 H N -0.395 118.750 119.070 0.125 0.000 2.293 295 H HA -0.090 4.462 4.556 -0.008 0.000 0.300 295 H C 2.020 177.437 175.328 0.148 0.000 1.082 295 H CA 1.886 58.001 56.048 0.111 0.000 1.308 295 H CB 0.093 29.938 29.762 0.139 0.000 1.375 295 H HN 0.377 nan 8.280 nan 0.000 0.495 296 E N 0.463 120.877 120.200 0.358 0.000 2.077 296 E HA -0.138 4.208 4.350 -0.007 0.000 0.193 296 E C 2.566 179.355 176.600 0.315 0.000 0.989 296 E CA 0.988 57.618 56.400 0.384 0.000 0.800 296 E CB -0.265 29.658 29.700 0.372 0.000 0.746 296 E HN 0.601 nan 8.360 nan 0.000 0.452 297 I N 1.128 121.821 120.570 0.204 0.000 2.163 297 I HA -0.293 3.872 4.170 -0.007 0.000 0.243 297 I C 2.319 178.610 176.117 0.290 0.000 1.085 297 I CA 1.111 62.446 61.300 0.058 0.000 1.347 297 I CB -0.225 37.712 38.000 -0.106 0.000 1.044 297 I HN -0.020 nan 8.210 nan 0.000 0.408 298 S N -0.588 115.237 115.700 0.209 0.000 2.383 298 S HA -0.225 4.241 4.470 -0.007 0.000 0.229 298 S C 1.923 176.700 174.600 0.294 0.000 1.030 298 S CA 1.063 59.405 58.200 0.236 0.000 1.002 298 S CB -0.511 62.695 63.200 0.010 0.000 0.829 298 S HN 0.436 nan 8.310 nan 0.000 0.467 299 H N 1.539 120.697 119.070 0.146 0.000 2.489 299 H HA 0.015 4.566 4.556 -0.008 0.000 0.295 299 H C 2.243 177.619 175.328 0.080 0.000 1.082 299 H CA 1.134 57.243 56.048 0.101 0.000 1.295 299 H CB -0.462 29.334 29.762 0.057 0.000 1.380 299 H HN 0.319 nan 8.280 nan 0.000 0.548 300 S N -0.439 115.375 115.700 0.191 0.000 2.440 300 S HA -0.166 4.299 4.470 -0.007 0.000 0.240 300 S C 1.696 176.186 174.600 -0.184 0.000 1.014 300 S CA 0.843 58.956 58.200 -0.145 0.000 0.980 300 S CB -0.037 63.007 63.200 -0.261 0.000 0.775 300 S HN 0.558 nan 8.310 nan 0.000 0.499 301 W N 1.054 122.465 121.300 0.185 0.000 3.103 301 W HA 0.143 4.798 4.660 -0.008 0.000 0.258 301 W C 0.699 177.257 176.519 0.065 0.000 1.001 301 W CA 0.382 57.793 57.345 0.110 0.000 1.940 301 W CB -1.018 28.489 29.460 0.079 0.000 1.116 301 W HN 0.162 nan 8.180 nan 0.000 0.600 302 T N -0.490 114.273 114.554 0.348 0.000 2.875 302 T HA 0.579 4.925 4.350 -0.007 0.000 0.307 302 T C 0.637 175.500 174.700 0.272 0.000 1.013 302 T CA 0.546 62.784 62.100 0.230 0.000 0.970 302 T CB 0.865 69.875 68.868 0.236 0.000 0.986 302 T HN 0.397 nan 8.240 nan 0.000 0.536 303 G N 4.383 113.301 108.800 0.196 0.000 3.131 303 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.198 303 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.198 303 G C 0.956 175.935 174.900 0.132 0.000 1.435 303 G CA -0.092 45.141 45.100 0.222 0.000 1.016 303 G HN 0.536 nan 8.290 nan 0.000 0.499 304 N N 0.565 119.320 118.700 0.091 0.000 2.395 304 N HA 0.306 5.041 4.740 -0.007 0.000 0.175 304 N C 2.154 177.773 175.510 0.181 0.000 1.029 304 N CA 0.963 54.024 53.050 0.019 0.000 0.897 304 N CB 0.070 38.408 38.487 -0.247 0.000 0.991 304 N HN 0.482 nan 8.380 nan 0.000 0.441 305 L N -0.189 121.101 121.223 0.112 0.000 2.265 305 L HA 0.206 4.542 4.340 -0.007 0.000 0.195 305 L C 0.049 176.832 176.870 -0.146 0.000 1.083 305 L CA 0.401 55.195 54.840 -0.076 0.000 0.798 305 L CB 0.223 42.147 42.059 -0.225 0.000 0.989 305 L HN -0.160 nan 8.230 nan 0.000 0.472 306 V N 0.733 120.572 119.914 -0.124 0.000 2.364 306 V HA 0.249 4.365 4.120 -0.007 0.000 0.272 306 V C -0.256 175.786 176.094 -0.087 0.000 1.036 306 V CA -0.196 62.002 62.300 -0.170 0.000 0.880 306 V CB 1.103 32.718 31.823 -0.347 0.000 0.991 306 V HN 0.218 nan 8.190 nan 0.000 0.460 307 T N 4.780 119.284 114.554 -0.082 0.000 2.856 307 T HA 0.337 4.682 4.350 -0.007 0.000 0.283 307 T C 0.036 174.678 174.700 -0.097 0.000 1.008 307 T CA -0.729 61.352 62.100 -0.032 0.000 0.997 307 T CB 0.973 69.844 68.868 0.003 0.000 0.992 307 T HN 0.847 nan 8.240 nan 0.000 0.454 308 N N 2.419 121.062 118.700 -0.095 0.000 2.447 308 N HA 0.023 4.758 4.740 -0.007 0.000 0.263 308 N C 0.892 176.274 175.510 -0.212 0.000 1.226 308 N CA -0.421 52.543 53.050 -0.145 0.000 0.906 308 N CB 1.343 39.782 38.487 -0.080 0.000 1.060 308 N HN 0.581 nan 8.380 nan 0.000 0.468 309 K N 1.169 121.465 120.400 -0.173 0.000 2.097 309 K HA -0.104 4.212 4.320 -0.007 0.000 0.205 309 K C 0.651 177.140 176.600 -0.186 0.000 1.050 309 K CA 1.356 57.547 56.287 -0.161 0.000 0.938 309 K CB 0.079 32.498 32.500 -0.135 0.000 0.718 309 K HN 0.862 nan 8.250 nan 0.000 0.442 310 T N -5.117 109.359 114.554 -0.130 0.000 2.838 310 T HA 0.216 4.562 4.350 -0.007 0.000 0.292 310 T C 0.022 174.591 174.700 -0.218 0.000 1.113 310 T CA -0.925 61.053 62.100 -0.204 0.000 1.008 310 T CB 0.249 69.135 68.868 0.031 0.000 1.259 310 T HN 0.285 nan 8.240 nan 0.000 0.520 311 W N 0.132 121.465 121.300 0.054 0.000 2.800 311 W HA 0.147 4.801 4.660 -0.010 0.000 0.249 311 W C 1.277 177.814 176.519 0.030 0.000 1.294 311 W CA -0.121 57.224 57.345 0.001 0.000 1.402 311 W CB -0.100 29.287 29.460 -0.123 0.000 1.126 311 W HN 0.699 nan 8.180 nan 0.000 0.652 312 D N -1.144 119.348 120.400 0.153 0.000 2.218 312 D HA -0.145 4.491 4.640 -0.007 0.000 0.204 312 D C 1.330 177.565 176.300 -0.109 0.000 0.976 312 D CA 1.298 55.286 54.000 -0.020 0.000 0.853 312 D CB -0.327 40.365 40.800 -0.180 0.000 0.939 312 D HN 0.335 nan 8.370 nan 0.000 0.481 313 H N -0.980 118.226 119.070 0.227 0.000 2.487 313 H HA 0.069 4.621 4.556 -0.006 0.000 0.290 313 H C 1.056 176.467 175.328 0.140 0.000 1.081 313 H CA -0.389 55.779 56.048 0.199 0.000 1.116 313 H CB -0.146 29.653 29.762 0.061 0.000 1.560 313 H HN 0.057 nan 8.280 nan 0.000 0.548 314 F N 2.418 122.473 119.950 0.176 0.000 2.192 314 F HA -0.277 4.246 4.527 -0.007 0.000 0.301 314 F C 2.386 178.243 175.800 0.095 0.000 1.079 314 F CA 1.299 59.401 58.000 0.171 0.000 1.303 314 F CB -0.299 38.850 39.000 0.247 0.000 1.024 314 F HN 0.405 nan 8.300 nan 0.000 0.494 315 W N 0.785 122.107 121.300 0.036 0.000 2.341 315 W HA -0.237 4.418 4.660 -0.008 0.000 0.283 315 W C 1.545 178.005 176.519 -0.099 0.000 1.215 315 W CA 1.205 58.486 57.345 -0.107 0.000 1.211 315 W CB -1.498 27.937 29.460 -0.041 0.000 1.131 315 W HN 0.146 nan 8.180 nan 0.000 0.552 316 L N 1.403 122.025 121.223 -1.002 0.000 2.017 316 L HA -0.278 4.058 4.340 -0.007 0.000 0.208 316 L C 2.579 179.276 176.870 -0.290 0.000 1.073 316 L CA 2.001 56.296 54.840 -0.910 0.000 0.745 316 L CB -1.206 40.437 42.059 -0.695 0.000 0.894 316 L HN -0.024 nan 8.230 nan 0.000 0.432 317 N N -0.297 118.269 118.700 -0.223 0.000 2.043 317 N HA -0.183 4.552 4.740 -0.007 0.000 0.193 317 N C 1.839 177.287 175.510 -0.103 0.000 1.037 317 N CA 1.354 54.356 53.050 -0.080 0.000 0.851 317 N CB -0.109 38.337 38.487 -0.069 0.000 1.027 317 N HN 0.290 nan 8.380 nan 0.000 0.422 318 E N -0.490 119.489 120.200 -0.369 0.000 2.075 318 E HA 0.086 4.431 4.350 -0.007 0.000 0.190 318 E C 2.122 178.661 176.600 -0.101 0.000 0.969 318 E CA 0.747 56.904 56.400 -0.405 0.000 0.815 318 E CB -0.769 28.254 29.700 -1.129 0.000 0.776 318 E HN 0.378 nan 8.360 nan 0.000 0.457 319 G N 1.163 109.965 108.800 0.004 0.000 2.491 319 G HA2 -0.295 3.660 3.960 -0.007 0.000 0.218 319 G HA3 -0.295 3.660 3.960 -0.007 0.000 0.218 319 G C 1.288 176.292 174.900 0.174 0.000 1.180 319 G CA 1.349 46.561 45.100 0.186 0.000 0.774 319 G HN 0.319 nan 8.290 nan 0.000 0.562 320 H N -0.263 118.871 119.070 0.106 0.000 2.389 320 H HA 0.032 4.583 4.556 -0.008 0.000 0.299 320 H C 2.929 178.382 175.328 0.208 0.000 1.081 320 H CA 1.662 57.826 56.048 0.194 0.000 1.345 320 H CB -0.145 29.696 29.762 0.132 0.000 1.393 320 H HN 0.291 nan 8.280 nan 0.000 0.520 321 T N -0.247 114.387 114.554 0.134 0.000 2.777 321 T HA -0.120 4.226 4.350 -0.007 0.000 0.266 321 T C 2.253 176.945 174.700 -0.014 0.000 1.040 321 T CA 1.291 63.308 62.100 -0.139 0.000 1.141 321 T CB -0.348 68.066 68.868 -0.757 0.000 0.868 321 T HN 0.104 nan 8.240 nan 0.000 0.444 322 V N 0.436 120.459 119.914 0.182 0.000 2.515 322 V HA -0.147 3.969 4.120 -0.007 0.000 0.250 322 V C 1.980 178.261 176.094 0.313 0.000 1.058 322 V CA 1.424 63.889 62.300 0.274 0.000 1.064 322 V CB -0.730 31.266 31.823 0.288 0.000 0.675 322 V HN 0.503 nan 8.190 nan 0.000 0.461 323 Y N 0.484 121.024 120.300 0.400 0.000 2.145 323 Y HA -0.189 4.357 4.550 -0.007 0.000 0.286 323 Y C 2.221 178.345 175.900 0.372 0.000 1.145 323 Y CA 1.646 60.046 58.100 0.500 0.000 1.148 323 Y CB -0.152 38.549 38.460 0.402 0.000 0.981 323 Y HN 0.122 nan 8.280 nan 0.000 0.507 324 L N 0.170 121.603 121.223 0.349 0.000 2.056 324 L HA -0.205 4.131 4.340 -0.007 0.000 0.207 324 L C 2.567 179.508 176.870 0.118 0.000 1.078 324 L CA 1.861 56.829 54.840 0.213 0.000 0.749 324 L CB -0.742 41.417 42.059 0.166 0.000 0.901 324 L HN 0.343 nan 8.230 nan 0.000 0.433 325 E N 0.864 121.123 120.200 0.099 0.000 2.070 325 E HA -0.279 4.067 4.350 -0.007 0.000 0.197 325 E C 2.286 178.923 176.600 0.061 0.000 1.004 325 E CA 1.543 58.000 56.400 0.094 0.000 0.805 325 E CB 0.039 29.829 29.700 0.150 0.000 0.744 325 E HN 0.425 nan 8.360 nan 0.000 0.451 326 R N -0.888 119.601 120.500 -0.019 0.000 2.115 326 R HA -0.052 4.284 4.340 -0.007 0.000 0.226 326 R C 2.533 178.777 176.300 -0.092 0.000 1.100 326 R CA 0.959 56.991 56.100 -0.114 0.000 0.980 326 R CB -0.244 29.890 30.300 -0.276 0.000 0.875 326 R HN 0.344 nan 8.270 nan 0.000 0.445 327 H N 0.716 119.749 119.070 -0.062 0.000 2.357 327 H HA -0.041 4.510 4.556 -0.007 0.000 0.301 327 H C 2.143 177.471 175.328 0.001 0.000 1.082 327 H CA 1.315 57.336 56.048 -0.045 0.000 1.342 327 H CB 0.001 29.704 29.762 -0.097 0.000 1.389 327 H HN 0.160 nan 8.280 nan 0.000 0.511 328 I N -0.295 120.351 120.570 0.127 0.000 2.179 328 I HA -0.296 3.870 4.170 -0.007 0.000 0.242 328 I C 2.572 178.738 176.117 0.082 0.000 1.088 328 I CA 0.957 62.300 61.300 0.071 0.000 1.357 328 I CB -0.205 37.830 38.000 0.057 0.000 1.051 328 I HN 0.218 nan 8.210 nan 0.000 0.409 329 C N 0.674 120.069 119.300 0.158 0.000 2.450 329 C HA -0.008 4.448 4.460 -0.007 0.000 0.279 329 C C 2.914 178.111 174.990 0.345 0.000 1.335 329 C CA 0.819 60.026 59.018 0.314 0.000 1.749 329 C CB -1.563 26.425 27.740 0.415 0.000 1.963 329 C HN 0.661 nan 8.230 nan 0.000 0.501 330 G N 0.413 109.353 108.800 0.233 0.000 2.408 330 G HA2 -0.225 3.730 3.960 -0.007 0.000 0.217 330 G HA3 -0.225 3.730 3.960 -0.007 0.000 0.217 330 G C 1.669 176.659 174.900 0.151 0.000 1.150 330 G CA 0.876 46.113 45.100 0.228 0.000 0.776 330 G HN 0.506 nan 8.290 nan 0.000 0.542 331 R N 0.236 120.789 120.500 0.089 0.000 2.073 331 R HA 0.113 4.448 4.340 -0.007 0.000 0.234 331 R C 2.486 178.728 176.300 -0.097 0.000 1.134 331 R CA 1.111 57.219 56.100 0.014 0.000 0.952 331 R CB -0.646 29.653 30.300 -0.001 0.000 0.850 331 R HN 0.379 nan 8.270 nan 0.000 0.433 332 L N -1.042 120.035 121.223 -0.243 0.000 2.093 332 L HA -0.044 4.291 4.340 -0.007 0.000 0.208 332 L C 1.100 177.534 176.870 -0.728 0.000 1.085 332 L CA 1.087 55.541 54.840 -0.644 0.000 0.755 332 L CB -0.088 41.280 42.059 -1.152 0.000 0.904 332 L HN 0.197 nan 8.230 nan 0.000 0.435 333 F N -1.139 118.824 119.950 0.020 0.000 2.798 333 F HA 0.482 5.005 4.527 -0.008 0.000 0.328 333 F C 0.935 176.742 175.800 0.011 0.000 1.098 333 F CA -0.071 57.883 58.000 -0.077 0.000 1.172 333 F CB 0.384 39.168 39.000 -0.360 0.000 1.072 333 F HN -0.018 nan 8.300 nan 0.000 0.555 334 G N 0.952 109.877 108.800 0.208 0.000 2.617 334 G HA2 -0.141 3.815 3.960 -0.007 0.000 0.686 334 G HA3 -0.141 3.815 3.960 -0.007 0.000 0.686 334 G C 0.106 175.149 174.900 0.239 0.000 1.214 334 G CA -0.305 44.906 45.100 0.184 0.000 0.796 334 G HN 0.079 nan 8.290 nan 0.000 0.654 335 E N 0.293 120.603 120.200 0.184 0.000 2.153 335 E HA -0.047 4.298 4.350 -0.007 0.000 0.194 335 E C 2.302 179.032 176.600 0.217 0.000 0.988 335 E CA 2.123 58.644 56.400 0.201 0.000 0.811 335 E CB -0.100 29.685 29.700 0.142 0.000 0.746 335 E HN 0.598 nan 8.360 nan 0.000 0.466 336 K N -0.755 119.748 120.400 0.171 0.000 2.097 336 K HA -0.144 4.172 4.320 -0.007 0.000 0.206 336 K C 1.945 178.728 176.600 0.305 0.000 1.049 336 K CA 1.240 57.639 56.287 0.187 0.000 0.933 336 K CB -0.304 32.277 32.500 0.135 0.000 0.717 336 K HN 0.172 nan 8.250 nan 0.000 0.442 337 F N 2.022 122.057 119.950 0.141 0.000 2.146 337 F HA -0.101 4.422 4.527 -0.007 0.000 0.298 337 F C 2.458 178.382 175.800 0.207 0.000 1.096 337 F CA 1.199 59.278 58.000 0.132 0.000 1.275 337 F CB -0.139 38.906 39.000 0.074 0.000 1.008 337 F HN -0.146 nan 8.300 nan 0.000 0.480 338 R N -0.953 119.657 120.500 0.184 0.000 2.083 338 R HA -0.231 4.104 4.340 -0.007 0.000 0.237 338 R C 2.176 178.498 176.300 0.037 0.000 1.137 338 R CA 2.181 58.305 56.100 0.040 0.000 0.951 338 R CB -0.602 29.756 30.300 0.096 0.000 0.851 338 R HN 0.316 nan 8.270 nan 0.000 0.434 339 H N -0.981 118.144 119.070 0.092 0.000 2.387 339 H HA -0.143 4.409 4.556 -0.007 0.000 0.299 339 H C 1.533 176.957 175.328 0.161 0.000 1.090 339 H CA 1.954 58.113 56.048 0.186 0.000 1.332 339 H CB -0.379 29.544 29.762 0.269 0.000 1.386 339 H HN 0.269 nan 8.280 nan 0.000 0.516 340 F N 1.236 121.231 119.950 0.075 0.000 2.102 340 F HA -0.210 4.313 4.527 -0.007 0.000 0.298 340 F C 1.812 177.509 175.800 -0.172 0.000 1.105 340 F CA 1.701 59.680 58.000 -0.035 0.000 1.239 340 F CB -0.321 38.654 39.000 -0.043 0.000 0.991 340 F HN 0.095 nan 8.300 nan 0.000 0.474 341 N N 0.251 118.811 118.700 -0.233 0.000 2.142 341 N HA -0.120 4.615 4.740 -0.007 0.000 0.186 341 N C 2.019 177.303 175.510 -0.377 0.000 1.023 341 N CA 1.099 53.920 53.050 -0.382 0.000 0.852 341 N CB -0.401 37.833 38.487 -0.422 0.000 0.998 341 N HN 0.392 nan 8.380 nan 0.000 0.424 342 A N 0.924 123.556 122.820 -0.312 0.000 1.908 342 A HA -0.124 4.191 4.320 -0.007 0.000 0.218 342 A C 2.104 179.648 177.584 -0.067 0.000 1.181 342 A CA 1.103 53.011 52.037 -0.214 0.000 0.627 342 A CB -0.713 18.169 19.000 -0.195 0.000 0.818 342 A HN 0.257 nan 8.150 nan 0.000 0.445 343 L N 0.071 121.161 121.223 -0.222 0.000 2.056 343 L HA 0.035 4.370 4.340 -0.007 0.000 0.207 343 L C 2.416 179.079 176.870 -0.346 0.000 1.078 343 L CA 2.175 56.687 54.840 -0.548 0.000 0.749 343 L CB -1.139 40.643 42.059 -0.462 0.000 0.901 343 L HN 0.307 nan 8.230 nan 0.000 0.433 344 G N -0.912 107.645 108.800 -0.405 0.000 2.469 344 G HA2 -0.270 3.686 3.960 -0.007 0.000 0.219 344 G HA3 -0.270 3.686 3.960 -0.007 0.000 0.219 344 G C 1.521 176.308 174.900 -0.188 0.000 1.150 344 G CA 0.670 45.568 45.100 -0.336 0.000 0.763 344 G HN 0.589 nan 8.290 nan 0.000 0.561 345 G N -0.259 108.436 108.800 -0.175 0.000 2.408 345 G HA2 -0.232 3.723 3.960 -0.007 0.000 0.217 345 G HA3 -0.232 3.723 3.960 -0.007 0.000 0.217 345 G C 1.586 176.499 174.900 0.022 0.000 1.150 345 G CA 0.843 45.884 45.100 -0.099 0.000 0.776 345 G HN 0.432 nan 8.290 nan 0.000 0.542 346 W N 2.035 123.271 121.300 -0.107 0.000 2.338 346 W HA -0.098 4.559 4.660 -0.006 0.000 0.304 346 W C 2.248 178.712 176.519 -0.092 0.000 1.212 346 W CA 1.646 58.952 57.345 -0.065 0.000 1.264 346 W CB -0.571 28.791 29.460 -0.164 0.000 1.142 346 W HN 0.225 nan 8.180 nan 0.000 0.512 347 G N 0.643 109.469 108.800 0.043 0.000 2.440 347 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.218 347 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.218 347 G C 1.369 176.204 174.900 -0.107 0.000 1.154 347 G CA 1.058 46.136 45.100 -0.036 0.000 0.767 347 G HN 0.237 nan 8.290 nan 0.000 0.552 348 E N -0.015 120.123 120.200 -0.105 0.000 2.150 348 E HA -0.057 4.288 4.350 -0.007 0.000 0.193 348 E C 2.476 178.998 176.600 -0.130 0.000 0.985 348 E CA 0.415 56.755 56.400 -0.101 0.000 0.814 348 E CB -0.356 29.293 29.700 -0.086 0.000 0.752 348 E HN 0.395 nan 8.360 nan 0.000 0.466 349 L N 1.628 122.740 121.223 -0.186 0.000 2.017 349 L HA -0.198 4.137 4.340 -0.007 0.000 0.208 349 L C 2.196 178.889 176.870 -0.295 0.000 1.073 349 L CA 1.773 56.462 54.840 -0.252 0.000 0.745 349 L CB -0.560 41.266 42.059 -0.388 0.000 0.894 349 L HN 0.043 nan 8.230 nan 0.000 0.432 350 Q N -0.595 118.984 119.800 -0.369 0.000 2.077 350 Q HA -0.247 4.088 4.340 -0.007 0.000 0.206 350 Q C 1.971 177.881 176.000 -0.150 0.000 0.989 350 Q CA 1.922 57.572 55.803 -0.255 0.000 0.853 350 Q CB -0.303 28.328 28.738 -0.179 0.000 0.907 350 Q HN 0.572 nan 8.270 nan 0.000 0.418 351 N N -0.074 118.548 118.700 -0.131 0.000 2.120 351 N HA -0.103 4.633 4.740 -0.007 0.000 0.188 351 N C 1.831 177.273 175.510 -0.112 0.000 1.024 351 N CA 1.327 54.313 53.050 -0.107 0.000 0.852 351 N CB -0.419 38.011 38.487 -0.095 0.000 1.003 351 N HN 0.049 nan 8.380 nan 0.000 0.424 352 S N 0.143 115.783 115.700 -0.100 0.000 2.368 352 S HA -0.041 4.424 4.470 -0.007 0.000 0.225 352 S C 2.187 176.798 174.600 0.019 0.000 1.030 352 S CA 0.714 58.874 58.200 -0.067 0.000 0.999 352 S CB -0.214 63.001 63.200 0.024 0.000 0.844 352 S HN 0.088 nan 8.310 nan 0.000 0.459 353 V N 1.760 121.677 119.914 0.005 0.000 2.358 353 V HA -0.155 3.961 4.120 -0.007 0.000 0.246 353 V C 2.356 178.457 176.094 0.012 0.000 1.047 353 V CA 1.739 64.058 62.300 0.033 0.000 1.035 353 V CB -0.503 31.286 31.823 -0.056 0.000 0.658 353 V HN 0.416 nan 8.190 nan 0.000 0.452 354 K N -0.159 120.215 120.400 -0.043 0.000 2.026 354 K HA -0.194 4.121 4.320 -0.007 0.000 0.208 354 K C 2.204 178.769 176.600 -0.058 0.000 1.048 354 K CA 2.047 58.306 56.287 -0.047 0.000 0.929 354 K CB -0.327 32.136 32.500 -0.062 0.000 0.713 354 K HN 0.476 nan 8.250 nan 0.000 0.439 355 T N 0.392 114.876 114.554 -0.115 0.000 2.708 355 T HA -0.113 4.232 4.350 -0.007 0.000 0.266 355 T C 1.468 176.046 174.700 -0.203 0.000 1.037 355 T CA 1.455 63.435 62.100 -0.199 0.000 1.146 355 T CB -0.267 68.403 68.868 -0.331 0.000 0.865 355 T HN 0.132 nan 8.240 nan 0.000 0.435 356 F N 1.171 121.044 119.950 -0.128 0.000 2.234 356 F HA 0.341 4.864 4.527 -0.007 0.000 0.296 356 F C 1.753 177.492 175.800 -0.102 0.000 1.089 356 F CA 0.654 58.517 58.000 -0.229 0.000 1.343 356 F CB -0.496 38.318 39.000 -0.310 0.000 1.040 356 F HN 0.362 nan 8.300 nan 0.000 0.498 357 G N 0.358 109.246 108.800 0.146 0.000 2.906 357 G HA2 -0.129 3.827 3.960 -0.007 0.000 0.686 357 G HA3 -0.129 3.827 3.960 -0.007 0.000 0.686 357 G C 0.438 175.399 174.900 0.100 0.000 1.170 357 G CA -0.200 44.962 45.100 0.104 0.000 0.775 357 G HN 0.391 nan 8.290 nan 0.000 0.630 358 E N -0.278 119.948 120.200 0.043 0.000 2.418 358 E HA -0.061 4.285 4.350 -0.007 0.000 0.197 358 E C 1.675 178.279 176.600 0.007 0.000 1.026 358 E CA 1.516 57.925 56.400 0.015 0.000 0.862 358 E CB -0.043 29.650 29.700 -0.011 0.000 0.799 358 E HN 0.916 nan 8.360 nan 0.000 0.518 359 T N -2.764 111.801 114.554 0.018 0.000 3.054 359 T HA 0.053 4.398 4.350 -0.007 0.000 0.255 359 T C 0.216 174.903 174.700 -0.021 0.000 1.035 359 T CA -0.479 61.615 62.100 -0.009 0.000 0.941 359 T CB -0.421 68.433 68.868 -0.023 0.000 1.026 359 T HN 0.254 nan 8.240 nan 0.000 0.533 360 H N 2.628 121.645 119.070 -0.088 0.000 2.928 360 H HA 0.203 4.759 4.556 0.000 0.000 0.338 360 H C -1.675 173.513 175.328 -0.233 0.000 1.047 360 H CA -1.152 54.788 56.048 -0.179 0.000 1.435 360 H CB 1.191 30.854 29.762 -0.165 0.000 1.428 360 H HN -0.058 nan 8.280 nan 0.000 0.590 361 P HA -0.150 nan 4.420 nan 0.000 0.220 361 P C 0.530 177.848 177.300 0.029 0.000 1.148 361 P CA 0.983 63.951 63.100 -0.220 0.000 0.803 361 P CB 0.178 31.679 31.700 -0.332 0.000 0.782 362 F N -0.452 119.488 119.950 -0.016 0.000 2.802 362 F HA 0.020 4.546 4.527 -0.002 0.000 0.300 362 F C 1.826 177.420 175.800 -0.344 0.000 1.168 362 F CA 0.804 58.643 58.000 -0.268 0.000 1.433 362 F CB -1.982 36.623 39.000 -0.659 0.000 1.115 362 F HN 0.041 nan 8.300 nan 0.000 0.582 363 T N -3.287 111.229 114.554 -0.063 0.000 3.086 363 T HA 0.115 4.460 4.350 -0.007 0.000 0.250 363 T C 0.689 175.379 174.700 -0.017 0.000 1.074 363 T CA -0.254 61.824 62.100 -0.036 0.000 0.988 363 T CB -0.169 68.694 68.868 -0.008 0.000 0.988 363 T HN -0.015 nan 8.240 nan 0.000 0.530 364 K N 0.650 121.055 120.400 0.009 0.000 2.237 364 K HA 0.322 4.638 4.320 -0.007 0.000 0.270 364 K C 0.767 177.364 176.600 -0.005 0.000 1.015 364 K CA -0.594 55.697 56.287 0.007 0.000 0.949 364 K CB 1.235 33.768 32.500 0.055 0.000 0.976 364 K HN -0.052 nan 8.250 nan 0.000 0.472 365 L N 3.027 124.200 121.223 -0.083 0.000 2.005 365 L HA -0.060 4.275 4.340 -0.007 0.000 0.207 365 L C 0.309 177.119 176.870 -0.099 0.000 1.072 365 L CA 1.631 56.364 54.840 -0.178 0.000 0.744 365 L CB 0.273 42.067 42.059 -0.443 0.000 0.895 365 L HN 0.317 nan 8.230 nan 0.000 0.433 366 V N 1.615 121.477 119.914 -0.087 0.000 2.406 366 V HA 0.356 4.472 4.120 -0.007 0.000 0.272 366 V C 0.012 176.178 176.094 0.119 0.000 1.043 366 V CA -0.405 61.942 62.300 0.078 0.000 0.915 366 V CB 0.961 32.868 31.823 0.140 0.000 0.988 366 V HN 0.144 nan 8.190 nan 0.000 0.466 367 V N 1.390 121.367 119.914 0.106 0.000 2.994 367 V HA 0.744 4.859 4.120 -0.007 0.000 0.318 367 V C -0.631 175.519 176.094 0.094 0.000 1.085 367 V CA -0.808 61.563 62.300 0.118 0.000 0.998 367 V CB 2.171 34.069 31.823 0.125 0.000 1.063 367 V HN 0.744 nan 8.190 nan 0.000 0.447 368 D N 1.588 122.055 120.400 0.112 0.000 2.441 368 D HA 0.399 5.035 4.640 -0.007 0.000 0.231 368 D C 0.306 176.672 176.300 0.111 0.000 1.073 368 D CA -0.278 53.778 54.000 0.094 0.000 0.850 368 D CB 1.249 42.097 40.800 0.080 0.000 1.062 368 D HN 0.610 nan 8.370 nan 0.000 0.524 369 L N 2.551 123.832 121.223 0.098 0.000 2.611 369 L HA 0.126 4.461 4.340 -0.007 0.000 0.229 369 L C 0.639 177.580 176.870 0.119 0.000 1.137 369 L CA 0.017 54.914 54.840 0.095 0.000 0.901 369 L CB -0.163 41.940 42.059 0.074 0.000 1.098 369 L HN 0.318 nan 8.230 nan 0.000 0.456 370 T N 1.357 115.979 114.554 0.113 0.000 2.750 370 T HA -0.096 4.250 4.350 -0.007 0.000 0.277 370 T C 0.491 175.272 174.700 0.135 0.000 0.996 370 T CA 0.352 62.519 62.100 0.111 0.000 1.195 370 T CB -0.023 68.894 68.868 0.082 0.000 0.963 370 T HN 0.335 nan 8.240 nan 0.000 0.516 371 D N 0.229 120.734 120.400 0.176 0.000 3.076 371 D HA -0.148 4.488 4.640 -0.007 0.000 0.218 371 D C -0.167 176.291 176.300 0.264 0.000 1.156 371 D CA 0.779 54.913 54.000 0.224 0.000 0.921 371 D CB -0.723 40.159 40.800 0.137 0.000 1.113 371 D HN 0.431 nan 8.370 nan 0.000 0.418 372 I N 1.078 121.769 120.570 0.201 0.000 2.406 372 I HA 0.172 4.337 4.170 -0.007 0.000 0.290 372 I C 0.599 176.544 176.117 -0.287 0.000 0.999 372 I CA -0.787 60.532 61.300 0.032 0.000 1.124 372 I CB 1.669 39.721 38.000 0.087 0.000 1.289 372 I HN -0.218 nan 8.210 nan 0.000 0.441 373 D N 8.977 128.908 120.400 -0.782 0.000 2.382 373 D HA 0.100 4.735 4.640 -0.007 0.000 0.259 373 D C -1.664 174.325 176.300 -0.517 0.000 1.224 373 D CA -1.581 51.751 54.000 -1.114 0.000 0.894 373 D CB 1.644 41.831 40.800 -1.022 0.000 1.127 373 D HN 0.206 nan 8.370 nan 0.000 0.487 374 P HA -0.123 nan 4.420 nan 0.000 0.217 374 P C 0.711 177.811 177.300 -0.333 0.000 1.148 374 P CA 0.813 63.672 63.100 -0.401 0.000 0.828 374 P CB 0.314 31.694 31.700 -0.534 0.000 0.783 375 D N -1.100 119.131 120.400 -0.281 0.000 2.178 375 D HA -0.093 4.542 4.640 -0.007 0.000 0.201 375 D C 1.879 178.134 176.300 -0.074 0.000 0.980 375 D CA 0.950 54.864 54.000 -0.143 0.000 0.842 375 D CB -0.432 40.325 40.800 -0.073 0.000 0.948 375 D HN 0.052 nan 8.370 nan 0.000 0.472 376 V N 0.853 120.686 119.914 -0.135 0.000 2.591 376 V HA -0.064 4.052 4.120 -0.007 0.000 0.249 376 V C 2.366 178.394 176.094 -0.109 0.000 1.053 376 V CA 1.423 63.687 62.300 -0.061 0.000 1.068 376 V CB -0.335 31.462 31.823 -0.042 0.000 0.689 376 V HN 0.154 nan 8.190 nan 0.000 0.462 377 A N -1.286 121.302 122.820 -0.387 0.000 2.067 377 A HA -0.042 4.274 4.320 -0.007 0.000 0.217 377 A C 1.163 178.556 177.584 -0.318 0.000 1.156 377 A CA 0.111 51.640 52.037 -0.846 0.000 0.683 377 A CB -0.489 17.884 19.000 -1.046 0.000 0.808 377 A HN 0.524 nan 8.150 nan 0.000 0.455 378 Y N 2.238 122.410 120.300 -0.213 0.000 2.805 378 Y HA 0.239 4.784 4.550 -0.008 0.000 0.331 378 Y C 0.710 176.685 175.900 0.126 0.000 1.241 378 Y CA 0.586 58.664 58.100 -0.036 0.000 1.546 378 Y CB 0.228 38.665 38.460 -0.039 0.000 1.248 378 Y HN 0.400 nan 8.280 nan 0.000 0.559 379 S N 1.397 116.840 115.700 -0.428 0.000 2.703 379 S HA 0.296 4.761 4.470 -0.007 0.000 0.273 379 S C 0.150 174.624 174.600 -0.209 0.000 1.178 379 S CA -0.370 57.704 58.200 -0.210 0.000 0.838 379 S CB 0.906 64.260 63.200 0.257 0.000 1.178 379 S HN 0.455 nan 8.310 nan 0.000 0.494 380 S N 0.346 115.990 115.700 -0.094 0.000 2.555 380 S HA -0.003 4.463 4.470 -0.007 0.000 0.230 380 S C 1.765 176.460 174.600 0.159 0.000 0.978 380 S CA 0.820 59.007 58.200 -0.022 0.000 0.934 380 S CB -0.581 62.569 63.200 -0.083 0.000 0.766 380 S HN 0.550 nan 8.310 nan 0.000 0.533 381 V N 3.266 123.275 119.914 0.157 0.000 2.255 381 V HA -0.138 3.978 4.120 -0.007 0.000 0.247 381 V C -0.315 175.887 176.094 0.180 0.000 1.051 381 V CA 1.819 64.204 62.300 0.142 0.000 1.018 381 V CB -1.647 30.244 31.823 0.113 0.000 0.641 381 V HN 0.367 nan 8.190 nan 0.000 0.445 382 P HA -0.161 nan 4.420 nan 0.000 0.218 382 P C 1.233 178.621 177.300 0.147 0.000 1.149 382 P CA 1.664 64.884 63.100 0.201 0.000 0.817 382 P CB -0.095 31.736 31.700 0.219 0.000 0.785 383 Y N 0.877 121.243 120.300 0.110 0.000 2.109 383 Y HA -0.114 4.431 4.550 -0.008 0.000 0.285 383 Y C 2.703 178.712 175.900 0.182 0.000 1.131 383 Y CA 1.423 59.599 58.100 0.126 0.000 1.121 383 Y CB -0.869 37.632 38.460 0.068 0.000 0.987 383 Y HN -0.072 nan 8.280 nan 0.000 0.495 384 E N -0.188 120.204 120.200 0.320 0.000 2.216 384 E HA -0.065 4.281 4.350 -0.007 0.000 0.192 384 E C 1.941 178.710 176.600 0.283 0.000 0.973 384 E CA 0.450 57.012 56.400 0.269 0.000 0.851 384 E CB -0.097 29.677 29.700 0.124 0.000 0.804 384 E HN 0.378 nan 8.360 nan 0.000 0.477 385 K N 0.651 121.165 120.400 0.191 0.000 2.155 385 K HA -0.041 4.275 4.320 -0.007 0.000 0.203 385 K C 2.054 178.786 176.600 0.220 0.000 1.052 385 K CA 1.072 57.464 56.287 0.175 0.000 0.948 385 K CB -0.144 32.389 32.500 0.055 0.000 0.728 385 K HN 0.105 nan 8.250 nan 0.000 0.448 386 G N 0.754 109.686 108.800 0.220 0.000 2.433 386 G HA2 -0.291 3.664 3.960 -0.007 0.000 0.216 386 G HA3 -0.291 3.664 3.960 -0.007 0.000 0.216 386 G C 1.312 176.380 174.900 0.280 0.000 1.186 386 G CA 0.708 45.977 45.100 0.282 0.000 0.779 386 G HN 0.390 nan 8.290 nan 0.000 0.543 387 F N 2.489 122.568 119.950 0.214 0.000 2.126 387 F HA 0.023 4.545 4.527 -0.008 0.000 0.299 387 F C 2.801 178.764 175.800 0.273 0.000 1.096 387 F CA 1.508 59.647 58.000 0.231 0.000 1.255 387 F CB -0.286 38.844 39.000 0.216 0.000 0.997 387 F HN 0.231 nan 8.300 nan 0.000 0.479 388 A N 0.519 123.574 122.820 0.392 0.000 1.908 388 A HA -0.205 4.111 4.320 -0.007 0.000 0.218 388 A C 2.117 179.809 177.584 0.181 0.000 1.181 388 A CA 1.803 54.114 52.037 0.456 0.000 0.627 388 A CB -1.326 18.142 19.000 0.779 0.000 0.818 388 A HN 0.521 nan 8.150 nan 0.000 0.445 389 L N -0.120 121.095 121.223 -0.013 0.000 2.012 389 L HA -0.146 4.190 4.340 -0.007 0.000 0.210 389 L C 2.297 178.902 176.870 -0.441 0.000 1.073 389 L CA 1.845 56.322 54.840 -0.605 0.000 0.748 389 L CB -0.611 41.164 42.059 -0.474 0.000 0.891 389 L HN 0.429 nan 8.230 nan 0.000 0.431 390 L N -2.117 118.914 121.223 -0.319 0.000 2.093 390 L HA -0.193 4.142 4.340 -0.007 0.000 0.208 390 L C 2.439 178.906 176.870 -0.672 0.000 1.085 390 L CA 1.072 55.616 54.840 -0.492 0.000 0.755 390 L CB -0.693 41.091 42.059 -0.457 0.000 0.904 390 L HN 0.259 nan 8.230 nan 0.000 0.435 391 F N -0.007 119.542 119.950 -0.669 0.000 2.146 391 F HA -0.249 4.273 4.527 -0.008 0.000 0.298 391 F C 2.582 178.125 175.800 -0.429 0.000 1.096 391 F CA 1.094 58.766 58.000 -0.546 0.000 1.275 391 F CB -0.563 38.015 39.000 -0.703 0.000 1.008 391 F HN 0.036 nan 8.300 nan 0.000 0.480 392 Y N 0.576 120.588 120.300 -0.481 0.000 2.165 392 Y HA -0.224 4.322 4.550 -0.007 0.000 0.286 392 Y C 2.023 177.563 175.900 -0.600 0.000 1.155 392 Y CA 1.890 59.681 58.100 -0.514 0.000 1.164 392 Y CB -0.820 37.391 38.460 -0.416 0.000 0.978 392 Y HN 0.112 nan 8.280 nan 0.000 0.513 393 L N 0.302 120.973 121.223 -0.919 0.000 2.056 393 L HA -0.199 4.136 4.340 -0.007 0.000 0.207 393 L C 2.648 178.908 176.870 -1.018 0.000 1.078 393 L CA 1.883 56.106 54.840 -1.027 0.000 0.749 393 L CB -0.739 40.821 42.059 -0.831 0.000 0.901 393 L HN 0.323 nan 8.230 nan 0.000 0.433 394 E N 0.292 119.786 120.200 -1.177 0.000 2.070 394 E HA -0.316 4.029 4.350 -0.007 0.000 0.197 394 E C 2.095 178.430 176.600 -0.441 0.000 1.004 394 E CA 1.788 57.759 56.400 -0.716 0.000 0.805 394 E CB -0.043 29.443 29.700 -0.357 0.000 0.744 394 E HN 0.564 nan 8.360 nan 0.000 0.451 395 Q N -0.266 119.210 119.800 -0.540 0.000 2.230 395 Q HA -0.104 4.231 4.340 -0.007 0.000 0.202 395 Q C 2.227 178.000 176.000 -0.379 0.000 0.963 395 Q CA 0.731 56.276 55.803 -0.430 0.000 0.866 395 Q CB 0.047 28.485 28.738 -0.501 0.000 0.931 395 Q HN 0.274 nan 8.270 nan 0.000 0.452 396 L N -0.068 120.845 121.223 -0.516 0.000 2.131 396 L HA -0.036 4.300 4.340 -0.007 0.000 0.206 396 L C 1.476 178.112 176.870 -0.391 0.000 1.087 396 L CA 1.481 56.030 54.840 -0.485 0.000 0.767 396 L CB 0.143 41.763 42.059 -0.731 0.000 0.917 396 L HN 0.133 nan 8.230 nan 0.000 0.441 397 L N -1.008 119.962 121.223 -0.422 0.000 2.628 397 L HA 0.375 4.710 4.340 -0.007 0.000 0.229 397 L C 1.155 177.926 176.870 -0.166 0.000 1.137 397 L CA 0.539 55.149 54.840 -0.384 0.000 0.909 397 L CB -0.066 41.578 42.059 -0.691 0.000 1.137 397 L HN 0.433 nan 8.230 nan 0.000 0.470 398 G N -0.943 107.783 108.800 -0.124 0.000 2.175 398 G HA2 0.068 4.023 3.960 -0.007 0.000 0.182 398 G HA3 0.068 4.023 3.960 -0.007 0.000 0.182 398 G C 0.439 175.352 174.900 0.021 0.000 1.003 398 G CA -0.332 44.748 45.100 -0.034 0.000 0.666 398 G HN 0.766 nan 8.290 nan 0.000 0.506 399 G N -0.958 107.854 108.800 0.020 0.000 2.423 399 G HA2 0.413 4.369 3.960 -0.007 0.000 0.684 399 G HA3 0.413 4.369 3.960 -0.007 0.000 0.684 399 G C -1.210 173.815 174.900 0.208 0.000 1.309 399 G CA 0.242 45.391 45.100 0.082 0.000 0.950 399 G HN 0.537 nan 8.290 nan 0.000 0.587 400 P HA -0.029 nan 4.420 nan 0.000 0.217 400 P C 1.338 178.822 177.300 0.306 0.000 1.150 400 P CA 1.502 64.840 63.100 0.396 0.000 0.832 400 P CB 0.138 32.102 31.700 0.440 0.000 0.787 401 E N 0.136 120.463 120.200 0.212 0.000 2.051 401 E HA -0.114 4.232 4.350 -0.007 0.000 0.192 401 E C 2.334 179.053 176.600 0.199 0.000 0.991 401 E CA 0.855 57.350 56.400 0.159 0.000 0.799 401 E CB -0.951 28.819 29.700 0.117 0.000 0.748 401 E HN 0.342 nan 8.360 nan 0.000 0.449 402 I N 0.140 120.856 120.570 0.244 0.000 2.179 402 I HA -0.261 3.904 4.170 -0.007 0.000 0.242 402 I C 2.296 178.682 176.117 0.447 0.000 1.088 402 I CA 1.002 62.496 61.300 0.323 0.000 1.357 402 I CB -0.204 37.986 38.000 0.317 0.000 1.051 402 I HN -0.020 nan 8.210 nan 0.000 0.409 403 F N 0.828 120.970 119.950 0.320 0.000 2.259 403 F HA -0.099 4.423 4.527 -0.008 0.000 0.298 403 F C 2.150 178.176 175.800 0.377 0.000 1.088 403 F CA 1.272 59.505 58.000 0.388 0.000 1.358 403 F CB -0.098 39.067 39.000 0.275 0.000 1.040 403 F HN -0.100 nan 8.300 nan 0.000 0.505 404 L N -0.697 120.733 121.223 0.345 0.000 2.131 404 L HA -0.142 4.194 4.340 -0.007 0.000 0.210 404 L C 2.726 179.613 176.870 0.029 0.000 1.092 404 L CA 1.190 56.125 54.840 0.158 0.000 0.759 404 L CB -1.365 40.709 42.059 0.024 0.000 0.903 404 L HN 0.269 nan 8.230 nan 0.000 0.435 405 G N -0.066 108.776 108.800 0.069 0.000 2.440 405 G HA2 -0.355 3.601 3.960 -0.007 0.000 0.218 405 G HA3 -0.355 3.601 3.960 -0.007 0.000 0.218 405 G C 1.465 176.232 174.900 -0.221 0.000 1.154 405 G CA 0.808 45.934 45.100 0.042 0.000 0.767 405 G HN 0.364 nan 8.290 nan 0.000 0.552 406 F N 0.848 120.423 119.950 -0.626 0.000 2.134 406 F HA 0.037 4.559 4.527 -0.008 0.000 0.299 406 F C 2.284 177.755 175.800 -0.549 0.000 1.097 406 F CA 0.818 58.082 58.000 -1.226 0.000 1.264 406 F CB -0.227 38.102 39.000 -1.117 0.000 1.001 406 F HN 0.004 nan 8.300 nan 0.000 0.479 407 L N 1.077 121.958 121.223 -0.571 0.000 2.012 407 L HA -0.256 4.080 4.340 -0.007 0.000 0.210 407 L C 2.515 179.257 176.870 -0.214 0.000 1.073 407 L CA 2.256 56.890 54.840 -0.344 0.000 0.748 407 L CB -1.286 40.801 42.059 0.046 0.000 0.891 407 L HN 0.306 nan 8.230 nan 0.000 0.431 408 K N -0.513 119.778 120.400 -0.182 0.000 2.057 408 K HA -0.155 4.161 4.320 -0.007 0.000 0.207 408 K C 2.006 178.515 176.600 -0.153 0.000 1.049 408 K CA 1.382 57.589 56.287 -0.133 0.000 0.931 408 K CB 0.049 32.491 32.500 -0.097 0.000 0.714 408 K HN 0.277 nan 8.250 nan 0.000 0.440 409 A N 0.333 123.037 122.820 -0.192 0.000 1.930 409 A HA -0.179 4.137 4.320 -0.007 0.000 0.217 409 A C 2.025 179.471 177.584 -0.230 0.000 1.175 409 A CA 1.319 53.295 52.037 -0.103 0.000 0.627 409 A CB -0.809 18.232 19.000 0.069 0.000 0.815 409 A HN 0.621 nan 8.150 nan 0.000 0.443 410 Y N 0.578 120.594 120.300 -0.472 0.000 2.181 410 Y HA -0.163 4.382 4.550 -0.008 0.000 0.288 410 Y C 2.178 177.847 175.900 -0.386 0.000 1.146 410 Y CA 1.929 59.681 58.100 -0.581 0.000 1.164 410 Y CB -0.412 37.654 38.460 -0.655 0.000 0.982 410 Y HN 0.045 nan 8.280 nan 0.000 0.515 411 V N 0.909 120.597 119.914 -0.377 0.000 2.295 411 V HA -0.303 3.812 4.120 -0.007 0.000 0.246 411 V C 2.393 178.293 176.094 -0.323 0.000 1.049 411 V CA 2.298 64.400 62.300 -0.330 0.000 1.024 411 V CB -0.739 31.055 31.823 -0.048 0.000 0.648 411 V HN 0.490 nan 8.190 nan 0.000 0.447 412 E N 0.208 120.244 120.200 -0.273 0.000 2.038 412 E HA -0.333 4.013 4.350 -0.007 0.000 0.195 412 E C 2.239 178.616 176.600 -0.372 0.000 1.000 412 E CA 1.929 58.179 56.400 -0.249 0.000 0.803 412 E CB -0.111 29.485 29.700 -0.173 0.000 0.750 412 E HN 0.451 nan 8.360 nan 0.000 0.448 413 K N -0.241 119.799 120.400 -0.601 0.000 2.044 413 K HA -0.159 4.157 4.320 -0.007 0.000 0.210 413 K C 1.214 177.299 176.600 -0.858 0.000 1.049 413 K CA 1.632 57.379 56.287 -0.900 0.000 0.927 413 K CB -0.224 31.277 32.500 -1.665 0.000 0.713 413 K HN 0.124 nan 8.250 nan 0.000 0.443 414 F N 0.536 120.184 119.950 -0.503 0.000 2.639 414 F HA 0.357 4.880 4.527 -0.006 0.000 0.302 414 F C 0.252 175.833 175.800 -0.366 0.000 1.097 414 F CA -0.472 57.276 58.000 -0.422 0.000 1.294 414 F CB -0.004 38.688 39.000 -0.513 0.000 1.027 414 F HN -0.257 nan 8.300 nan 0.000 0.550 415 S N 0.087 115.623 115.700 -0.274 0.000 2.552 415 S HA -0.012 4.454 4.470 -0.007 0.000 0.289 415 S C 0.083 174.471 174.600 -0.352 0.000 1.304 415 S CA 0.253 58.174 58.200 -0.465 0.000 1.063 415 S CB -0.334 62.480 63.200 -0.644 0.000 0.848 415 S HN 0.530 nan 8.310 nan 0.000 0.499 416 Y N -0.882 119.364 120.300 -0.090 0.000 4.798 416 Y HA -0.277 4.268 4.550 -0.007 0.000 0.237 416 Y C 0.472 176.341 175.900 -0.052 0.000 1.017 416 Y CA 0.713 58.765 58.100 -0.079 0.000 2.010 416 Y CB -1.894 36.503 38.460 -0.106 0.000 1.582 416 Y HN 0.481 nan 8.280 nan 0.000 0.621 417 K N 0.030 120.443 120.400 0.022 0.000 2.352 417 K HA 0.803 5.119 4.320 -0.007 0.000 0.240 417 K C -0.358 176.219 176.600 -0.039 0.000 1.017 417 K CA -0.927 55.370 56.287 0.017 0.000 0.851 417 K CB 2.078 34.616 32.500 0.062 0.000 1.261 417 K HN -0.114 nan 8.250 nan 0.000 0.451 418 S N 1.364 117.029 115.700 -0.059 0.000 2.519 418 S HA 0.550 5.016 4.470 -0.007 0.000 0.309 418 S C -0.510 173.995 174.600 -0.159 0.000 1.100 418 S CA -0.849 57.288 58.200 -0.105 0.000 1.059 418 S CB 0.515 63.664 63.200 -0.084 0.000 1.008 418 S HN 0.573 nan 8.310 nan 0.000 0.478 419 I N 0.038 120.468 120.570 -0.233 0.000 3.042 419 I HA 0.839 5.004 4.170 -0.007 0.000 0.310 419 I C -0.101 175.826 176.117 -0.318 0.000 1.117 419 I CA -0.863 60.243 61.300 -0.323 0.000 1.003 419 I CB 2.255 39.904 38.000 -0.586 0.000 1.228 419 I HN 0.568 nan 8.210 nan 0.000 0.443 420 T N -1.060 113.284 114.554 -0.350 0.000 2.937 420 T HA 0.346 4.691 4.350 -0.007 0.000 0.283 420 T C 0.850 175.378 174.700 -0.288 0.000 1.012 420 T CA -0.164 61.589 62.100 -0.578 0.000 0.997 420 T CB 1.428 69.987 68.868 -0.516 0.000 1.136 420 T HN 0.691 nan 8.240 nan 0.000 0.551 421 T N 0.907 115.346 114.554 -0.192 0.000 2.759 421 T HA -0.111 4.235 4.350 -0.007 0.000 0.269 421 T C 1.443 176.367 174.700 0.373 0.000 1.042 421 T CA 1.531 63.848 62.100 0.361 0.000 1.140 421 T CB -0.546 68.751 68.868 0.715 0.000 0.864 421 T HN 0.640 nan 8.240 nan 0.000 0.455 422 D N 1.225 121.749 120.400 0.206 0.000 2.117 422 D HA -0.098 4.537 4.640 -0.007 0.000 0.197 422 D C 1.916 178.300 176.300 0.141 0.000 0.987 422 D CA 0.962 55.061 54.000 0.165 0.000 0.829 422 D CB -0.282 40.583 40.800 0.107 0.000 0.961 422 D HN 0.363 nan 8.370 nan 0.000 0.460 423 D N -0.156 120.287 120.400 0.072 0.000 2.117 423 D HA -0.155 4.480 4.640 -0.007 0.000 0.197 423 D C 1.891 178.305 176.300 0.191 0.000 0.987 423 D CA 0.588 54.609 54.000 0.035 0.000 0.829 423 D CB -0.460 40.170 40.800 -0.283 0.000 0.961 423 D HN 0.366 nan 8.370 nan 0.000 0.460 424 W N 2.265 123.592 121.300 0.045 0.000 2.355 424 W HA -0.143 4.513 4.660 -0.007 0.000 0.309 424 W C 2.360 179.082 176.519 0.339 0.000 1.206 424 W CA 1.545 59.041 57.345 0.251 0.000 1.284 424 W CB -0.113 29.449 29.460 0.170 0.000 1.145 424 W HN -0.174 nan 8.180 nan 0.000 0.502 425 K N 0.120 120.677 120.400 0.262 0.000 2.097 425 K HA -0.206 4.109 4.320 -0.007 0.000 0.206 425 K C 1.638 178.206 176.600 -0.053 0.000 1.049 425 K CA 1.983 58.188 56.287 -0.136 0.000 0.933 425 K CB -0.414 32.033 32.500 -0.088 0.000 0.717 425 K HN 0.033 nan 8.250 nan 0.000 0.442 426 D N 0.130 120.572 120.400 0.069 0.000 2.117 426 D HA -0.181 4.455 4.640 -0.007 0.000 0.197 426 D C 1.600 178.034 176.300 0.223 0.000 0.987 426 D CA 0.972 55.041 54.000 0.115 0.000 0.829 426 D CB -0.276 40.609 40.800 0.141 0.000 0.961 426 D HN 0.186 nan 8.370 nan 0.000 0.460 427 F N 0.999 121.064 119.950 0.193 0.000 2.186 427 F HA -0.089 4.433 4.527 -0.008 0.000 0.299 427 F C 2.094 178.029 175.800 0.224 0.000 1.090 427 F CA 0.516 58.669 58.000 0.255 0.000 1.307 427 F CB -0.329 38.942 39.000 0.451 0.000 1.019 427 F HN -0.113 nan 8.300 nan 0.000 0.489 428 L N -0.474 120.734 121.223 -0.024 0.000 2.013 428 L HA -0.273 4.062 4.340 -0.007 0.000 0.212 428 L C 2.050 178.836 176.870 -0.141 0.000 1.073 428 L CA 1.990 56.644 54.840 -0.309 0.000 0.753 428 L CB -1.162 40.480 42.059 -0.695 0.000 0.890 428 L HN 0.191 nan 8.230 nan 0.000 0.432 429 Y N -1.310 118.892 120.300 -0.164 0.000 2.293 429 Y HA -0.183 4.363 4.550 -0.007 0.000 0.291 429 Y C 2.980 178.828 175.900 -0.087 0.000 1.137 429 Y CA 1.682 59.733 58.100 -0.083 0.000 1.202 429 Y CB -0.532 37.878 38.460 -0.083 0.000 0.990 429 Y HN 0.278 nan 8.280 nan 0.000 0.537 430 S N -1.063 114.636 115.700 -0.002 0.000 2.345 430 S HA -0.258 4.207 4.470 -0.007 0.000 0.220 430 S C 1.990 176.439 174.600 -0.252 0.000 1.031 430 S CA 1.282 59.422 58.200 -0.101 0.000 0.996 430 S CB -0.667 62.487 63.200 -0.077 0.000 0.882 430 S HN 0.562 nan 8.310 nan 0.000 0.445 431 Y N 0.498 120.429 120.300 -0.615 0.000 2.181 431 Y HA 0.024 4.569 4.550 -0.007 0.000 0.288 431 Y C 0.763 176.284 175.900 -0.632 0.000 1.146 431 Y CA 1.519 59.192 58.100 -0.712 0.000 1.164 431 Y CB -0.102 37.822 38.460 -0.893 0.000 0.982 431 Y HN 0.301 nan 8.280 nan 0.000 0.515 432 F N 1.342 121.188 119.950 -0.174 0.000 2.916 432 F HA 0.211 4.733 4.527 -0.008 0.000 0.294 432 F C 1.579 177.255 175.800 -0.206 0.000 1.189 432 F CA -0.509 57.369 58.000 -0.202 0.000 1.369 432 F CB -0.323 38.551 39.000 -0.210 0.000 0.961 432 F HN 0.033 nan 8.300 nan 0.000 0.508 433 K N -1.137 119.221 120.400 -0.071 0.000 2.211 433 K HA -0.178 4.138 4.320 -0.007 0.000 0.204 433 K C 0.542 177.126 176.600 -0.027 0.000 1.047 433 K CA 1.813 58.078 56.287 -0.036 0.000 0.935 433 K CB -0.140 32.335 32.500 -0.042 0.000 0.728 433 K HN 0.069 nan 8.250 nan 0.000 0.452 434 D N 1.006 121.383 120.400 -0.038 0.000 2.363 434 D HA 0.023 4.658 4.640 -0.007 0.000 0.226 434 D C 0.325 176.616 176.300 -0.015 0.000 1.020 434 D CA 0.749 54.733 54.000 -0.027 0.000 0.892 434 D CB 0.363 41.139 40.800 -0.039 0.000 0.900 434 D HN 0.319 nan 8.370 nan 0.000 0.531 435 K N 0.010 120.402 120.400 -0.014 0.000 2.706 435 K HA 0.088 4.403 4.320 -0.007 0.000 0.203 435 K C 1.367 177.900 176.600 -0.111 0.000 1.102 435 K CA 0.060 56.314 56.287 -0.055 0.000 1.058 435 K CB 1.533 33.994 32.500 -0.064 0.000 0.779 435 K HN -0.077 nan 8.250 nan 0.000 0.483 436 V N -2.025 117.842 119.914 -0.078 0.000 2.626 436 V HA -0.198 3.918 4.120 -0.007 0.000 0.252 436 V C 1.409 177.494 176.094 -0.015 0.000 1.067 436 V CA 1.526 63.775 62.300 -0.085 0.000 1.081 436 V CB -0.263 31.595 31.823 0.059 0.000 0.686 436 V HN 0.145 nan 8.190 nan 0.000 0.468 437 D N 0.954 121.349 120.400 -0.008 0.000 2.117 437 D HA -0.096 4.540 4.640 -0.007 0.000 0.198 437 D C 2.308 178.599 176.300 -0.016 0.000 0.982 437 D CA 1.592 55.598 54.000 0.010 0.000 0.828 437 D CB -0.284 40.517 40.800 0.002 0.000 0.967 437 D HN 0.435 nan 8.370 nan 0.000 0.464 438 V N 1.137 121.008 119.914 -0.071 0.000 2.343 438 V HA -0.198 3.918 4.120 -0.007 0.000 0.247 438 V C 2.636 178.646 176.094 -0.140 0.000 1.051 438 V CA 1.069 63.298 62.300 -0.119 0.000 1.036 438 V CB -0.397 31.323 31.823 -0.172 0.000 0.654 438 V HN 0.195 nan 8.190 nan 0.000 0.451 439 L N -0.073 121.050 121.223 -0.167 0.000 2.083 439 L HA -0.214 4.122 4.340 -0.007 0.000 0.209 439 L C 2.117 179.095 176.870 0.180 0.000 1.083 439 L CA 1.963 56.724 54.840 -0.132 0.000 0.752 439 L CB -0.725 41.017 42.059 -0.528 0.000 0.899 439 L HN 0.450 nan 8.230 nan 0.000 0.433 440 N N -0.691 118.132 118.700 0.205 0.000 2.453 440 N HA -0.167 4.568 4.740 -0.007 0.000 0.183 440 N C 1.533 177.143 175.510 0.168 0.000 1.041 440 N CA 0.377 53.607 53.050 0.300 0.000 0.900 440 N CB 0.062 38.692 38.487 0.238 0.000 0.961 440 N HN 0.436 nan 8.380 nan 0.000 0.443 441 Q N 0.174 120.010 119.800 0.061 0.000 2.435 441 Q HA 0.067 4.403 4.340 -0.007 0.000 0.207 441 Q C -0.088 175.902 176.000 -0.016 0.000 0.956 441 Q CA 0.207 56.023 55.803 0.022 0.000 0.917 441 Q CB 0.516 29.250 28.738 -0.006 0.000 0.997 441 Q HN 0.132 nan 8.270 nan 0.000 0.497 442 V N 2.277 122.112 119.914 -0.131 0.000 2.572 442 V HA -0.041 4.074 4.120 -0.007 0.000 0.291 442 V C 0.214 176.124 176.094 -0.307 0.000 1.039 442 V CA -0.139 61.952 62.300 -0.350 0.000 1.055 442 V CB 1.010 32.200 31.823 -1.055 0.000 0.969 442 V HN 0.123 nan 8.190 nan 0.000 0.482 443 D N 4.021 124.389 120.400 -0.052 0.000 2.508 443 D HA 0.073 4.709 4.640 -0.007 0.000 0.224 443 D C 0.696 177.096 176.300 0.167 0.000 1.171 443 D CA -0.056 53.985 54.000 0.067 0.000 1.006 443 D CB 0.047 40.881 40.800 0.057 0.000 1.073 443 D HN 0.572 nan 8.370 nan 0.000 0.513 444 W N 2.080 123.553 121.300 0.287 0.000 2.358 444 W HA -0.139 4.515 4.660 -0.009 0.000 0.303 444 W C 2.377 179.041 176.519 0.240 0.000 1.208 444 W CA 0.372 57.883 57.345 0.277 0.000 1.274 444 W CB -0.229 29.382 29.460 0.252 0.000 1.138 444 W HN 0.376 nan 8.180 nan 0.000 0.515 445 N N 0.773 119.750 118.700 0.463 0.000 2.166 445 N HA -0.176 4.560 4.740 -0.007 0.000 0.186 445 N C 1.714 177.386 175.510 0.269 0.000 1.019 445 N CA 1.766 55.064 53.050 0.414 0.000 0.856 445 N CB -0.220 38.450 38.487 0.305 0.000 0.993 445 N HN 0.154 nan 8.380 nan 0.000 0.426 446 A N 0.490 123.403 122.820 0.155 0.000 1.841 446 A HA -0.112 4.204 4.320 -0.007 0.000 0.214 446 A C 2.039 179.594 177.584 -0.048 0.000 1.195 446 A CA 1.066 53.105 52.037 0.003 0.000 0.611 446 A CB -1.394 17.538 19.000 -0.113 0.000 0.835 446 A HN 0.507 nan 8.150 nan 0.000 0.443 447 W N 0.088 121.351 121.300 -0.060 0.000 2.318 447 W HA -0.171 4.485 4.660 -0.007 0.000 0.313 447 W C 2.173 178.564 176.519 -0.213 0.000 1.221 447 W CA 1.651 58.919 57.345 -0.128 0.000 1.266 447 W CB -0.319 29.068 29.460 -0.122 0.000 1.150 447 W HN 0.241 nan 8.180 nan 0.000 0.496 448 L N -2.557 118.666 121.223 -0.001 0.000 2.162 448 L HA -0.100 4.236 4.340 -0.007 0.000 0.205 448 L C 1.365 177.903 176.870 -0.553 0.000 1.086 448 L CA 0.958 55.519 54.840 -0.465 0.000 0.778 448 L CB -0.535 41.038 42.059 -0.810 0.000 0.928 448 L HN 0.027 nan 8.230 nan 0.000 0.446 449 Y N -1.600 118.748 120.300 0.081 0.000 2.432 449 Y HA 0.262 4.808 4.550 -0.007 0.000 0.252 449 Y C 1.067 176.977 175.900 0.016 0.000 1.097 449 Y CA -0.675 57.457 58.100 0.053 0.000 1.250 449 Y CB 0.251 38.759 38.460 0.080 0.000 1.245 449 Y HN -0.120 nan 8.280 nan 0.000 0.522 450 S N 3.419 119.177 115.700 0.096 0.000 2.585 450 S HA 0.368 4.834 4.470 -0.007 0.000 0.277 450 S C -2.423 172.163 174.600 -0.023 0.000 1.241 450 S CA -1.258 56.959 58.200 0.028 0.000 1.041 450 S CB 1.195 64.388 63.200 -0.010 0.000 0.987 450 S HN -0.036 nan 8.310 nan 0.000 0.512 451 P HA 0.487 nan 4.420 nan 0.000 0.277 451 P C 0.417 177.677 177.300 -0.067 0.000 1.271 451 P CA 0.119 63.196 63.100 -0.039 0.000 0.795 451 P CB 0.144 31.827 31.700 -0.029 0.000 1.101 452 G N -0.964 107.797 108.800 -0.064 0.000 2.728 452 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.294 452 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.294 452 G C -0.693 174.117 174.900 -0.150 0.000 1.342 452 G CA -0.662 44.386 45.100 -0.087 0.000 0.866 452 G HN 0.569 nan 8.290 nan 0.000 0.534 453 L N 1.477 122.598 121.223 -0.171 0.000 2.506 453 L HA 0.221 4.557 4.340 -0.007 0.000 0.281 453 L C -1.257 175.441 176.870 -0.286 0.000 1.228 453 L CA -1.083 53.608 54.840 -0.249 0.000 0.850 453 L CB 0.104 42.056 42.059 -0.180 0.000 1.110 453 L HN 0.422 nan 8.230 nan 0.000 0.496 454 P HA 0.013 nan 4.420 nan 0.000 0.268 454 P C -1.931 175.010 177.300 -0.599 0.000 1.208 454 P CA -0.894 61.758 63.100 -0.746 0.000 0.777 454 P CB -0.054 31.081 31.700 -0.941 0.000 0.875 455 P HA 0.027 nan 4.420 nan 0.000 0.226 455 P C 0.257 177.360 177.300 -0.329 0.000 1.153 455 P CA 1.269 64.092 63.100 -0.462 0.000 0.777 455 P CB 0.465 31.894 31.700 -0.452 0.000 0.794 456 I N -1.397 118.939 120.570 -0.390 0.000 2.656 456 I HA 0.364 4.529 4.170 -0.007 0.000 0.292 456 I C -0.952 175.090 176.117 -0.124 0.000 1.144 456 I CA -1.302 59.857 61.300 -0.235 0.000 1.038 456 I CB 2.776 40.583 38.000 -0.321 0.000 1.244 456 I HN -0.372 nan 8.210 nan 0.000 0.420 457 K N 8.097 128.404 120.400 -0.154 0.000 2.185 457 K HA 0.628 4.944 4.320 -0.007 0.000 0.269 457 K C -2.556 173.900 176.600 -0.240 0.000 0.987 457 K CA -1.483 54.585 56.287 -0.365 0.000 0.865 457 K CB 1.286 33.401 32.500 -0.642 0.000 1.090 457 K HN 0.291 nan 8.250 nan 0.000 0.450 458 P HA 0.042 nan 4.420 nan 0.000 0.272 458 P C -1.131 175.888 177.300 -0.469 0.000 1.254 458 P CA -0.415 62.477 63.100 -0.345 0.000 0.795 458 P CB 0.429 31.855 31.700 -0.456 0.000 1.022 459 N N 0.770 119.177 118.700 -0.487 0.000 2.444 459 N HA 0.171 4.907 4.740 -0.007 0.000 0.271 459 N C -0.896 174.426 175.510 -0.314 0.000 1.069 459 N CA 0.163 53.041 53.050 -0.286 0.000 0.965 459 N CB 0.169 38.552 38.487 -0.173 0.000 1.092 459 N HN 0.367 nan 8.380 nan 0.000 0.476 460 Y N -0.240 120.138 120.300 0.130 0.000 2.350 460 Y HA 0.148 4.694 4.550 -0.008 0.000 0.338 460 Y C 0.419 176.500 175.900 0.301 0.000 0.961 460 Y CA -1.156 57.121 58.100 0.295 0.000 1.100 460 Y CB 1.197 39.754 38.460 0.162 0.000 1.179 460 Y HN 0.459 nan 8.280 nan 0.000 0.454 461 D N 2.609 123.364 120.400 0.592 0.000 2.488 461 D HA 0.006 4.641 4.640 -0.007 0.000 0.238 461 D C 0.575 177.046 176.300 0.283 0.000 1.138 461 D CA 0.459 54.619 54.000 0.266 0.000 0.873 461 D CB 0.771 41.586 40.800 0.026 0.000 1.183 461 D HN 0.434 nan 8.370 nan 0.000 0.458 462 M N 2.318 122.034 119.600 0.192 0.000 2.333 462 M HA 0.018 4.494 4.480 -0.007 0.000 0.257 462 M C 1.661 178.064 176.300 0.172 0.000 1.078 462 M CA 0.206 55.613 55.300 0.179 0.000 1.005 462 M CB -0.435 32.245 32.600 0.134 0.000 1.444 462 M HN 0.440 nan 8.290 nan 0.000 0.496 463 T N 1.648 116.294 114.554 0.153 0.000 2.624 463 T HA -0.148 4.197 4.350 -0.007 0.000 0.268 463 T C 1.894 176.677 174.700 0.139 0.000 1.041 463 T CA 1.437 63.611 62.100 0.123 0.000 1.159 463 T CB -0.246 68.680 68.868 0.096 0.000 0.863 463 T HN 0.356 nan 8.240 nan 0.000 0.434 464 L N 0.377 121.713 121.223 0.189 0.000 2.418 464 L HA 0.025 4.360 4.340 -0.007 0.000 0.218 464 L C 2.640 179.690 176.870 0.300 0.000 1.125 464 L CA 0.807 55.740 54.840 0.155 0.000 0.835 464 L CB -0.518 41.542 42.059 0.002 0.000 0.953 464 L HN 0.290 nan 8.230 nan 0.000 0.454 465 T N -1.062 113.720 114.554 0.380 0.000 3.014 465 T HA -0.046 4.300 4.350 -0.007 0.000 0.263 465 T C 1.542 176.376 174.700 0.224 0.000 1.078 465 T CA 0.778 63.090 62.100 0.353 0.000 1.135 465 T CB -0.185 68.814 68.868 0.219 0.000 0.895 465 T HN 0.378 nan 8.240 nan 0.000 0.480 466 N N 1.707 120.512 118.700 0.175 0.000 2.036 466 N HA -0.142 4.594 4.740 -0.007 0.000 0.195 466 N C 2.191 177.782 175.510 0.135 0.000 1.037 466 N CA 1.219 54.350 53.050 0.135 0.000 0.855 466 N CB -0.215 38.337 38.487 0.108 0.000 1.033 466 N HN 0.346 nan 8.380 nan 0.000 0.423 467 A N 0.548 123.445 122.820 0.128 0.000 1.978 467 A HA -0.166 4.149 4.320 -0.007 0.000 0.220 467 A C 2.403 180.075 177.584 0.147 0.000 1.170 467 A CA 1.201 53.305 52.037 0.112 0.000 0.636 467 A CB -0.896 18.149 19.000 0.075 0.000 0.810 467 A HN 0.519 nan 8.150 nan 0.000 0.448 468 C N -0.764 118.655 119.300 0.199 0.000 2.453 468 C HA -0.006 4.449 4.460 -0.007 0.000 0.277 468 C C 2.504 177.672 174.990 0.296 0.000 1.262 468 C CA 0.749 59.932 59.018 0.274 0.000 1.718 468 C CB -1.385 26.541 27.740 0.309 0.000 2.031 468 C HN 0.625 nan 8.230 nan 0.000 0.480 469 I N 1.880 122.581 120.570 0.218 0.000 2.226 469 I HA -0.201 3.965 4.170 -0.007 0.000 0.245 469 I C 2.820 179.062 176.117 0.209 0.000 1.100 469 I CA 1.595 63.008 61.300 0.190 0.000 1.374 469 I CB -0.581 37.501 38.000 0.136 0.000 1.057 469 I HN 0.281 nan 8.210 nan 0.000 0.413 470 A N 0.608 123.540 122.820 0.186 0.000 1.877 470 A HA -0.220 4.096 4.320 -0.007 0.000 0.216 470 A C 2.245 179.971 177.584 0.237 0.000 1.186 470 A CA 1.615 53.756 52.037 0.173 0.000 0.620 470 A CB -0.803 18.273 19.000 0.128 0.000 0.822 470 A HN 0.362 nan 8.150 nan 0.000 0.443 471 L N -0.350 121.039 121.223 0.276 0.000 2.056 471 L HA -0.055 4.280 4.340 -0.007 0.000 0.207 471 L C 2.661 179.945 176.870 0.691 0.000 1.078 471 L CA 2.377 57.443 54.840 0.376 0.000 0.749 471 L CB -0.750 41.371 42.059 0.104 0.000 0.901 471 L HN 0.374 nan 8.230 nan 0.000 0.433 472 S N -1.364 114.756 115.700 0.701 0.000 2.368 472 S HA -0.212 4.253 4.470 -0.007 0.000 0.225 472 S C 1.962 176.817 174.600 0.426 0.000 1.030 472 S CA 1.213 59.760 58.200 0.578 0.000 0.999 472 S CB -0.194 63.173 63.200 0.278 0.000 0.844 472 S HN 0.550 nan 8.310 nan 0.000 0.459 473 Q N 0.800 120.794 119.800 0.324 0.000 2.119 473 Q HA 0.002 4.338 4.340 -0.007 0.000 0.201 473 Q C 2.393 178.557 176.000 0.273 0.000 0.972 473 Q CA 1.040 56.990 55.803 0.246 0.000 0.847 473 Q CB -0.429 28.414 28.738 0.175 0.000 0.903 473 Q HN 0.582 nan 8.270 nan 0.000 0.433 474 R N -0.766 119.926 120.500 0.320 0.000 2.083 474 R HA -0.187 4.149 4.340 -0.007 0.000 0.237 474 R C 2.096 178.640 176.300 0.407 0.000 1.137 474 R CA 1.675 57.958 56.100 0.305 0.000 0.951 474 R CB -0.305 30.194 30.300 0.331 0.000 0.851 474 R HN 0.318 nan 8.270 nan 0.000 0.434 475 W N 0.644 122.192 121.300 0.413 0.000 2.379 475 W HA -0.038 4.617 4.660 -0.007 0.000 0.307 475 W C 2.068 178.761 176.519 0.291 0.000 1.200 475 W CA 0.667 58.178 57.345 0.277 0.000 1.297 475 W CB -0.315 29.226 29.460 0.135 0.000 1.140 475 W HN -0.008 nan 8.180 nan 0.000 0.507 476 I N 0.025 120.856 120.570 0.435 0.000 2.264 476 I HA -0.303 3.862 4.170 -0.007 0.000 0.248 476 I C 2.411 178.659 176.117 0.218 0.000 1.111 476 I CA 1.956 63.413 61.300 0.262 0.000 1.382 476 I CB -0.817 37.285 38.000 0.170 0.000 1.060 476 I HN 0.033 nan 8.210 nan 0.000 0.418 477 T N -1.451 113.233 114.554 0.216 0.000 3.081 477 T HA 0.361 4.707 4.350 -0.007 0.000 0.250 477 T C 0.863 175.665 174.700 0.171 0.000 1.100 477 T CA 0.023 62.217 62.100 0.157 0.000 1.038 477 T CB -0.256 68.680 68.868 0.114 0.000 0.962 477 T HN 0.205 nan 8.240 nan 0.000 0.516 478 A N 2.371 125.341 122.820 0.250 0.000 2.511 478 A HA 0.474 4.790 4.320 -0.007 0.000 0.242 478 A C 0.412 178.172 177.584 0.294 0.000 1.069 478 A CA -0.285 51.877 52.037 0.208 0.000 0.763 478 A CB 0.278 19.392 19.000 0.190 0.000 1.001 478 A HN 0.325 nan 8.150 nan 0.000 0.498 479 K N 1.224 121.706 120.400 0.136 0.000 2.210 479 K HA 0.217 4.533 4.320 -0.007 0.000 0.236 479 K C 1.096 177.738 176.600 0.071 0.000 1.016 479 K CA -0.572 55.801 56.287 0.143 0.000 0.913 479 K CB 0.545 33.087 32.500 0.069 0.000 1.141 479 K HN 0.869 nan 8.250 nan 0.000 0.462 480 E N 1.206 121.460 120.200 0.089 0.000 2.114 480 E HA -0.269 4.077 4.350 -0.007 0.000 0.199 480 E C 0.625 177.203 176.600 -0.036 0.000 1.008 480 E CA 2.153 58.568 56.400 0.026 0.000 0.810 480 E CB 0.062 29.786 29.700 0.039 0.000 0.739 480 E HN 0.596 nan 8.360 nan 0.000 0.456 481 D N -0.344 120.036 120.400 -0.034 0.000 2.363 481 D HA -0.126 4.509 4.640 -0.007 0.000 0.226 481 D C 0.687 176.924 176.300 -0.104 0.000 1.020 481 D CA 0.529 54.494 54.000 -0.059 0.000 0.892 481 D CB -0.070 40.704 40.800 -0.044 0.000 0.900 481 D HN 0.214 nan 8.370 nan 0.000 0.531 482 D N 0.027 120.348 120.400 -0.131 0.000 2.366 482 D HA 0.085 4.721 4.640 -0.007 0.000 0.205 482 D C 2.176 178.282 176.300 -0.324 0.000 1.022 482 D CA -0.054 53.806 54.000 -0.233 0.000 0.868 482 D CB 0.438 41.109 40.800 -0.216 0.000 0.953 482 D HN 0.268 nan 8.370 nan 0.000 0.514 483 L N 0.921 122.027 121.223 -0.196 0.000 2.131 483 L HA -0.166 4.170 4.340 -0.007 0.000 0.210 483 L C 2.153 178.966 176.870 -0.095 0.000 1.092 483 L CA 0.820 55.594 54.840 -0.110 0.000 0.759 483 L CB -0.418 41.573 42.059 -0.113 0.000 0.903 483 L HN -0.005 nan 8.230 nan 0.000 0.435 484 N N 0.016 118.633 118.700 -0.138 0.000 2.289 484 N HA -0.198 4.537 4.740 -0.007 0.000 0.184 484 N C 1.957 177.359 175.510 -0.180 0.000 1.016 484 N CA 1.370 54.346 53.050 -0.123 0.000 0.872 484 N CB 0.051 38.474 38.487 -0.107 0.000 0.973 484 N HN 0.336 nan 8.380 nan 0.000 0.433 485 S N -1.270 114.231 115.700 -0.332 0.000 2.453 485 S HA 0.011 4.477 4.470 -0.007 0.000 0.231 485 S C 0.423 174.776 174.600 -0.413 0.000 1.005 485 S CA -0.035 57.927 58.200 -0.397 0.000 0.949 485 S CB -0.572 62.330 63.200 -0.496 0.000 0.774 485 S HN 0.136 nan 8.310 nan 0.000 0.510 486 F N 3.777 123.572 119.950 -0.260 0.000 2.459 486 F HA 0.496 5.019 4.527 -0.007 0.000 0.346 486 F C 0.805 176.533 175.800 -0.120 0.000 1.128 486 F CA -0.354 57.513 58.000 -0.222 0.000 1.268 486 F CB 0.282 39.033 39.000 -0.415 0.000 1.161 486 F HN 0.547 nan 8.300 nan 0.000 0.583 487 N N -0.393 118.425 118.700 0.197 0.000 3.227 487 N HA 0.485 5.221 4.740 -0.007 0.000 0.241 487 N C -0.175 175.484 175.510 0.249 0.000 1.480 487 N CA -0.378 52.746 53.050 0.124 0.000 0.886 487 N CB 0.714 39.231 38.487 0.050 0.000 1.406 487 N HN 0.444 nan 8.380 nan 0.000 0.514 488 A N -0.380 122.542 122.820 0.170 0.000 2.032 488 A HA -0.189 4.127 4.320 -0.007 0.000 0.221 488 A C 1.945 179.600 177.584 0.119 0.000 1.165 488 A CA 2.595 54.742 52.037 0.183 0.000 0.645 488 A CB -1.708 17.338 19.000 0.077 0.000 0.807 488 A HN 0.930 nan 8.150 nan 0.000 0.453 489 T N -2.553 112.057 114.554 0.093 0.000 3.007 489 T HA -0.116 4.229 4.350 -0.007 0.000 0.270 489 T C 1.128 175.856 174.700 0.047 0.000 1.107 489 T CA 1.259 63.388 62.100 0.049 0.000 1.118 489 T CB -0.464 68.422 68.868 0.030 0.000 0.889 489 T HN 0.422 nan 8.240 nan 0.000 0.506 490 D N 1.897 122.365 120.400 0.112 0.000 2.190 490 D HA -0.053 4.583 4.640 -0.007 0.000 0.200 490 D C 1.767 178.024 176.300 -0.072 0.000 0.992 490 D CA 0.961 55.009 54.000 0.081 0.000 0.854 490 D CB -0.202 40.756 40.800 0.262 0.000 0.936 490 D HN 0.471 nan 8.370 nan 0.000 0.462 491 L N 0.601 121.743 121.223 -0.136 0.000 2.567 491 L HA 0.092 4.428 4.340 -0.007 0.000 0.225 491 L C 2.240 179.051 176.870 -0.099 0.000 1.119 491 L CA -0.016 54.705 54.840 -0.200 0.000 0.871 491 L CB -0.214 41.675 42.059 -0.282 0.000 1.036 491 L HN 0.037 nan 8.230 nan 0.000 0.459 492 K N -0.094 120.272 120.400 -0.056 0.000 2.152 492 K HA -0.166 4.150 4.320 -0.007 0.000 0.206 492 K C 0.310 176.890 176.600 -0.033 0.000 1.048 492 K CA 1.530 57.796 56.287 -0.035 0.000 0.933 492 K CB -0.107 32.382 32.500 -0.018 0.000 0.721 492 K HN 0.271 nan 8.250 nan 0.000 0.447 493 D N 0.971 121.351 120.400 -0.034 0.000 2.424 493 D HA 0.190 4.826 4.640 -0.007 0.000 0.220 493 D C -0.147 176.133 176.300 -0.033 0.000 1.150 493 D CA 0.000 53.983 54.000 -0.028 0.000 0.831 493 D CB 0.319 41.108 40.800 -0.017 0.000 0.981 493 D HN 0.175 nan 8.370 nan 0.000 0.500 494 L N 1.308 122.504 121.223 -0.045 0.000 2.295 494 L HA 0.236 4.572 4.340 -0.007 0.000 0.285 494 L C 1.048 177.896 176.870 -0.037 0.000 1.035 494 L CA -0.629 54.187 54.840 -0.040 0.000 0.806 494 L CB 1.686 43.711 42.059 -0.055 0.000 1.214 494 L HN -0.106 nan 8.230 nan 0.000 0.426 495 S N 0.418 116.099 115.700 -0.031 0.000 2.634 495 S HA 0.084 4.550 4.470 -0.007 0.000 0.261 495 S C 1.297 175.888 174.600 -0.015 0.000 1.271 495 S CA -0.127 58.060 58.200 -0.022 0.000 0.985 495 S CB 1.310 64.510 63.200 0.001 0.000 0.968 495 S HN 0.745 nan 8.310 nan 0.000 0.568 496 S N 0.295 115.955 115.700 -0.067 0.000 2.382 496 S HA -0.231 4.235 4.470 -0.007 0.000 0.228 496 S C 1.502 176.042 174.600 -0.101 0.000 1.027 496 S CA 1.563 59.690 58.200 -0.122 0.000 0.991 496 S CB -1.285 61.793 63.200 -0.204 0.000 0.823 496 S HN 0.866 nan 8.310 nan 0.000 0.469 497 H N 1.520 120.624 119.070 0.057 0.000 2.353 497 H HA 0.023 4.574 4.556 -0.008 0.000 0.300 497 H C 2.549 178.023 175.328 0.243 0.000 1.090 497 H CA 1.949 58.102 56.048 0.174 0.000 1.327 497 H CB -0.302 29.590 29.762 0.217 0.000 1.383 497 H HN 0.508 nan 8.280 nan 0.000 0.508 498 Q N -0.313 119.617 119.800 0.215 0.000 2.123 498 Q HA -0.094 4.242 4.340 -0.007 0.000 0.199 498 Q C 1.995 178.125 176.000 0.216 0.000 0.966 498 Q CA 0.680 56.621 55.803 0.229 0.000 0.845 498 Q CB -0.003 28.776 28.738 0.069 0.000 0.907 498 Q HN 0.270 nan 8.270 nan 0.000 0.439 499 L N 1.234 122.527 121.223 0.116 0.000 2.046 499 L HA -0.203 4.133 4.340 -0.007 0.000 0.208 499 L C 1.946 178.869 176.870 0.089 0.000 1.077 499 L CA 1.767 56.658 54.840 0.086 0.000 0.747 499 L CB -0.641 41.416 42.059 -0.004 0.000 0.896 499 L HN 0.204 nan 8.230 nan 0.000 0.432 500 N N -0.665 118.077 118.700 0.070 0.000 2.120 500 N HA -0.249 4.487 4.740 -0.007 0.000 0.188 500 N C 1.863 177.417 175.510 0.074 0.000 1.024 500 N CA 1.442 54.519 53.050 0.045 0.000 0.852 500 N CB -0.026 38.510 38.487 0.080 0.000 1.003 500 N HN 0.356 nan 8.380 nan 0.000 0.424 501 E N -0.439 119.871 120.200 0.183 0.000 2.072 501 E HA -0.126 4.219 4.350 -0.007 0.000 0.190 501 E C 1.727 178.405 176.600 0.129 0.000 0.982 501 E CA 0.792 57.279 56.400 0.145 0.000 0.803 501 E CB -0.680 29.169 29.700 0.249 0.000 0.755 501 E HN 0.445 nan 8.360 nan 0.000 0.453 502 F N 0.821 120.801 119.950 0.050 0.000 2.091 502 F HA -0.188 4.335 4.527 -0.007 0.000 0.299 502 F C 1.740 177.524 175.800 -0.028 0.000 1.103 502 F CA 1.690 59.706 58.000 0.026 0.000 1.228 502 F CB -0.452 38.560 39.000 0.019 0.000 0.984 502 F HN 0.083 nan 8.300 nan 0.000 0.477 503 L N -0.040 120.972 121.223 -0.352 0.000 2.056 503 L HA -0.133 4.202 4.340 -0.007 0.000 0.207 503 L C 2.859 179.542 176.870 -0.311 0.000 1.078 503 L CA 1.087 55.639 54.840 -0.480 0.000 0.749 503 L CB -1.178 40.678 42.059 -0.338 0.000 0.901 503 L HN 0.285 nan 8.230 nan 0.000 0.433 504 A N -0.695 122.019 122.820 -0.176 0.000 1.908 504 A HA -0.234 4.081 4.320 -0.007 0.000 0.218 504 A C 2.261 179.766 177.584 -0.133 0.000 1.181 504 A CA 1.382 53.342 52.037 -0.129 0.000 0.627 504 A CB -0.422 18.534 19.000 -0.073 0.000 0.818 504 A HN 0.387 nan 8.150 nan 0.000 0.445 505 Q N -0.576 119.152 119.800 -0.120 0.000 2.096 505 Q HA -0.139 4.197 4.340 -0.007 0.000 0.204 505 Q C 2.206 178.130 176.000 -0.126 0.000 0.982 505 Q CA 2.148 57.901 55.803 -0.084 0.000 0.850 505 Q CB -0.889 27.841 28.738 -0.013 0.000 0.901 505 Q HN 0.696 nan 8.270 nan 0.000 0.422 506 T N 1.636 116.040 114.554 -0.251 0.000 2.812 506 T HA -0.082 4.264 4.350 -0.007 0.000 0.264 506 T C 1.884 176.469 174.700 -0.193 0.000 1.042 506 T CA 0.569 62.516 62.100 -0.255 0.000 1.140 506 T CB -0.246 68.327 68.868 -0.492 0.000 0.870 506 T HN 0.075 nan 8.240 nan 0.000 0.445 507 L N 1.502 122.598 121.223 -0.212 0.000 2.079 507 L HA -0.099 4.237 4.340 -0.007 0.000 0.210 507 L C 2.395 179.181 176.870 -0.140 0.000 1.081 507 L CA 1.721 56.451 54.840 -0.184 0.000 0.752 507 L CB -0.690 41.245 42.059 -0.206 0.000 0.896 507 L HN 0.259 nan 8.230 nan 0.000 0.433 508 Q N -0.982 118.748 119.800 -0.116 0.000 2.226 508 Q HA -0.188 4.148 4.340 -0.007 0.000 0.204 508 Q C 1.492 177.450 176.000 -0.071 0.000 0.975 508 Q CA 1.298 57.049 55.803 -0.085 0.000 0.866 508 Q CB 0.022 28.722 28.738 -0.063 0.000 0.915 508 Q HN 0.374 nan 8.270 nan 0.000 0.440 509 R N -0.393 120.064 120.500 -0.071 0.000 2.393 509 R HA 0.255 4.591 4.340 -0.007 0.000 0.244 509 R C -0.239 176.018 176.300 -0.073 0.000 0.920 509 R CA 0.025 56.092 56.100 -0.055 0.000 1.076 509 R CB 0.487 30.770 30.300 -0.028 0.000 1.119 509 R HN 0.062 nan 8.270 nan 0.000 0.524 510 A N 2.448 125.209 122.820 -0.098 0.000 2.445 510 A HA 0.335 4.651 4.320 -0.007 0.000 0.242 510 A C -1.812 175.708 177.584 -0.107 0.000 1.075 510 A CA -0.947 51.020 52.037 -0.116 0.000 0.777 510 A CB -0.262 18.650 19.000 -0.147 0.000 1.013 510 A HN 0.055 nan 8.150 nan 0.000 0.493 511 P HA 0.461 nan 4.420 nan 0.000 0.277 511 P C -0.961 176.267 177.300 -0.120 0.000 1.240 511 P CA -0.323 62.698 63.100 -0.132 0.000 0.798 511 P CB 0.764 32.381 31.700 -0.138 0.000 0.979 512 L N 3.047 124.192 121.223 -0.130 0.000 2.365 512 L HA 0.535 4.871 4.340 -0.007 0.000 0.267 512 L C -2.132 174.635 176.870 -0.172 0.000 1.033 512 L CA -2.213 52.543 54.840 -0.140 0.000 0.802 512 L CB 0.269 42.276 42.059 -0.086 0.000 1.267 512 L HN 0.290 nan 8.230 nan 0.000 0.457 513 P HA 0.000 nan 4.420 nan 0.000 0.266 513 P C 0.491 177.725 177.300 -0.110 0.000 1.195 513 P CA -0.251 62.727 63.100 -0.203 0.000 0.768 513 P CB 0.483 31.989 31.700 -0.324 0.000 0.838 514 L N 4.101 125.260 121.223 -0.108 0.000 2.042 514 L HA -0.089 4.247 4.340 -0.007 0.000 0.210 514 L C 2.196 178.956 176.870 -0.184 0.000 1.076 514 L CA 2.554 57.292 54.840 -0.170 0.000 0.749 514 L CB -1.621 40.347 42.059 -0.151 0.000 0.893 514 L HN 0.537 nan 8.230 nan 0.000 0.432 515 G N -2.038 106.731 108.800 -0.051 0.000 2.442 515 G HA2 -0.324 3.632 3.960 -0.007 0.000 0.219 515 G HA3 -0.324 3.632 3.960 -0.007 0.000 0.219 515 G C 1.322 176.276 174.900 0.090 0.000 1.141 515 G CA 1.088 46.188 45.100 0.000 0.000 0.763 515 G HN 0.544 nan 8.290 nan 0.000 0.554 516 H N 0.487 119.561 119.070 0.008 0.000 2.321 516 H HA -0.020 4.532 4.556 -0.007 0.000 0.300 516 H C 2.654 178.000 175.328 0.030 0.000 1.087 516 H CA 1.066 57.210 56.048 0.160 0.000 1.319 516 H CB -0.177 29.718 29.762 0.222 0.000 1.379 516 H HN 0.234 nan 8.280 nan 0.000 0.501 517 I N 0.861 121.433 120.570 0.004 0.000 2.286 517 I HA -0.195 3.971 4.170 -0.007 0.000 0.248 517 I C 2.011 177.974 176.117 -0.255 0.000 1.115 517 I CA 1.170 62.405 61.300 -0.109 0.000 1.392 517 I CB -0.883 37.005 38.000 -0.186 0.000 1.065 517 I HN 0.234 nan 8.210 nan 0.000 0.418 518 K N 0.383 120.467 120.400 -0.526 0.000 2.057 518 K HA -0.215 4.101 4.320 -0.007 0.000 0.207 518 K C 2.258 178.757 176.600 -0.168 0.000 1.049 518 K CA 1.294 57.227 56.287 -0.590 0.000 0.931 518 K CB -0.163 32.023 32.500 -0.524 0.000 0.714 518 K HN 0.029 nan 8.250 nan 0.000 0.440 519 R N 1.368 121.829 120.500 -0.065 0.000 2.081 519 R HA -0.042 4.294 4.340 -0.007 0.000 0.235 519 R C 2.085 178.373 176.300 -0.020 0.000 1.131 519 R CA 1.460 57.577 56.100 0.028 0.000 0.960 519 R CB -0.359 30.029 30.300 0.147 0.000 0.856 519 R HN 0.177 nan 8.270 nan 0.000 0.436 520 M N -0.160 119.362 119.600 -0.130 0.000 2.117 520 M HA -0.212 4.264 4.480 -0.007 0.000 0.262 520 M C 2.047 178.127 176.300 -0.367 0.000 1.065 520 M CA 2.066 57.081 55.300 -0.474 0.000 1.114 520 M CB -0.112 32.156 32.600 -0.553 0.000 1.361 520 M HN 0.201 nan 8.290 nan 0.000 0.408 521 Q N 0.771 120.560 119.800 -0.019 0.000 2.084 521 Q HA -0.236 4.100 4.340 -0.007 0.000 0.202 521 Q C 1.678 177.662 176.000 -0.027 0.000 0.978 521 Q CA 2.359 58.206 55.803 0.074 0.000 0.844 521 Q CB -0.425 28.679 28.738 0.609 0.000 0.898 521 Q HN 0.664 nan 8.270 nan 0.000 0.426 522 E N -0.783 119.409 120.200 -0.013 0.000 2.085 522 E HA -0.167 4.178 4.350 -0.007 0.000 0.194 522 E C 1.700 178.247 176.600 -0.088 0.000 0.994 522 E CA 1.992 58.380 56.400 -0.021 0.000 0.801 522 E CB 0.039 29.735 29.700 -0.006 0.000 0.743 522 E HN 0.392 nan 8.360 nan 0.000 0.453 523 V N -2.041 117.757 119.914 -0.193 0.000 2.992 523 V HA 0.005 4.121 4.120 -0.007 0.000 0.250 523 V C 1.434 177.410 176.094 -0.197 0.000 1.090 523 V CA 0.670 62.837 62.300 -0.221 0.000 1.101 523 V CB -0.433 31.223 31.823 -0.277 0.000 0.743 523 V HN 0.190 nan 8.190 nan 0.000 0.468 524 Y N 0.466 120.538 120.300 -0.379 0.000 2.444 524 Y HA 0.389 4.934 4.550 -0.008 0.000 0.252 524 Y C 1.337 176.830 175.900 -0.679 0.000 1.091 524 Y CA -0.733 56.964 58.100 -0.672 0.000 1.276 524 Y CB -0.880 36.765 38.460 -1.358 0.000 1.170 524 Y HN 0.470 nan 8.280 nan 0.000 0.517 525 N N 0.308 118.793 118.700 -0.359 0.000 2.725 525 N HA -0.251 4.485 4.740 -0.007 0.000 0.251 525 N C -0.071 175.301 175.510 -0.230 0.000 1.031 525 N CA -0.079 52.847 53.050 -0.206 0.000 0.720 525 N CB -0.961 37.471 38.487 -0.091 0.000 0.930 525 N HN 0.084 nan 8.380 nan 0.000 0.543 526 F N 0.256 119.939 119.950 -0.445 0.000 2.333 526 F HA -0.072 4.451 4.527 -0.007 0.000 0.300 526 F C 2.143 177.700 175.800 -0.404 0.000 1.083 526 F CA 1.034 58.611 58.000 -0.706 0.000 1.395 526 F CB -0.585 37.421 39.000 -1.656 0.000 1.056 526 F HN 0.360 nan 8.300 nan 0.000 0.529 527 N N -0.156 118.591 118.700 0.077 0.000 2.272 527 N HA -0.157 4.579 4.740 -0.007 0.000 0.185 527 N C 1.802 177.384 175.510 0.120 0.000 1.014 527 N CA 0.748 53.948 53.050 0.251 0.000 0.870 527 N CB -0.171 38.458 38.487 0.237 0.000 0.975 527 N HN 0.252 nan 8.380 nan 0.000 0.433 528 A N 0.551 123.407 122.820 0.060 0.000 2.208 528 A HA 0.142 4.458 4.320 -0.007 0.000 0.209 528 A C 0.814 178.418 177.584 0.033 0.000 1.161 528 A CA -0.016 52.044 52.037 0.038 0.000 0.782 528 A CB 0.023 19.034 19.000 0.017 0.000 0.816 528 A HN 0.125 nan 8.150 nan 0.000 0.477 529 I N 1.038 121.634 120.570 0.043 0.000 2.441 529 I HA 0.077 4.242 4.170 -0.007 0.000 0.287 529 I C 0.311 176.440 176.117 0.020 0.000 1.049 529 I CA -0.393 60.923 61.300 0.027 0.000 1.381 529 I CB 0.867 38.882 38.000 0.025 0.000 1.409 529 I HN 0.220 nan 8.210 nan 0.000 0.523 530 N N 3.545 122.249 118.700 0.006 0.000 2.282 530 N HA -0.037 4.699 4.740 -0.007 0.000 0.185 530 N C 0.548 176.053 175.510 -0.008 0.000 1.099 530 N CA 0.086 53.136 53.050 0.001 0.000 0.878 530 N CB 0.031 38.519 38.487 0.002 0.000 0.993 530 N HN 0.569 nan 8.380 nan 0.000 0.481 531 N N 2.550 121.243 118.700 -0.012 0.000 2.332 531 N HA -0.087 4.649 4.740 -0.007 0.000 0.274 531 N C 1.243 176.729 175.510 -0.040 0.000 1.351 531 N CA 0.194 53.234 53.050 -0.016 0.000 0.875 531 N CB 0.690 39.159 38.487 -0.030 0.000 1.140 531 N HN 0.191 nan 8.380 nan 0.000 0.489 532 S N 3.681 119.358 115.700 -0.038 0.000 2.368 532 S HA -0.139 4.327 4.470 -0.007 0.000 0.225 532 S C 1.303 175.703 174.600 -0.334 0.000 1.030 532 S CA 0.734 58.825 58.200 -0.183 0.000 0.999 532 S CB -0.059 63.106 63.200 -0.058 0.000 0.844 532 S HN 0.611 nan 8.310 nan 0.000 0.459 533 E N 1.503 121.669 120.200 -0.057 0.000 2.051 533 E HA -0.037 4.309 4.350 -0.007 0.000 0.192 533 E C 2.201 178.824 176.600 0.038 0.000 0.991 533 E CA 1.270 57.713 56.400 0.071 0.000 0.799 533 E CB -0.471 29.332 29.700 0.172 0.000 0.748 533 E HN 0.615 nan 8.360 nan 0.000 0.449 534 I N 0.681 121.238 120.570 -0.022 0.000 2.226 534 I HA -0.266 3.900 4.170 -0.007 0.000 0.245 534 I C 2.844 178.927 176.117 -0.058 0.000 1.100 534 I CA 1.081 62.336 61.300 -0.075 0.000 1.374 534 I CB -0.226 37.704 38.000 -0.117 0.000 1.057 534 I HN 0.018 nan 8.210 nan 0.000 0.413 535 R N 0.636 121.112 120.500 -0.040 0.000 2.066 535 R HA -0.213 4.122 4.340 -0.007 0.000 0.232 535 R C 2.459 178.758 176.300 -0.001 0.000 1.131 535 R CA 1.521 57.637 56.100 0.027 0.000 0.955 535 R CB -0.427 29.866 30.300 -0.010 0.000 0.851 535 R HN 0.212 nan 8.270 nan 0.000 0.432 536 F N 1.651 121.420 119.950 -0.302 0.000 2.043 536 F HA -0.271 4.251 4.527 -0.008 0.000 0.297 536 F C 2.103 177.807 175.800 -0.160 0.000 1.118 536 F CA 1.998 59.802 58.000 -0.327 0.000 1.202 536 F CB -0.283 38.352 39.000 -0.608 0.000 0.965 536 F HN -0.053 nan 8.300 nan 0.000 0.482 537 R N -0.461 119.838 120.500 -0.336 0.000 2.075 537 R HA -0.222 4.113 4.340 -0.007 0.000 0.232 537 R C 2.410 178.554 176.300 -0.259 0.000 1.126 537 R CA 1.643 57.494 56.100 -0.414 0.000 0.963 537 R CB -1.144 29.027 30.300 -0.216 0.000 0.858 537 R HN 0.678 nan 8.270 nan 0.000 0.435 538 W N 1.655 122.761 121.300 -0.323 0.000 2.355 538 W HA -0.201 4.455 4.660 -0.007 0.000 0.309 538 W C 1.319 177.733 176.519 -0.174 0.000 1.206 538 W CA 1.234 58.435 57.345 -0.239 0.000 1.284 538 W CB -0.174 29.170 29.460 -0.194 0.000 1.145 538 W HN 0.078 nan 8.180 nan 0.000 0.502 539 L N 0.646 121.648 121.223 -0.369 0.000 2.056 539 L HA -0.203 4.132 4.340 -0.007 0.000 0.207 539 L C 2.896 179.516 176.870 -0.417 0.000 1.078 539 L CA 1.322 55.885 54.840 -0.462 0.000 0.749 539 L CB -0.899 40.997 42.059 -0.271 0.000 0.901 539 L HN -0.064 nan 8.230 nan 0.000 0.433 540 R N -0.163 120.084 120.500 -0.422 0.000 2.083 540 R HA -0.209 4.127 4.340 -0.007 0.000 0.237 540 R C 2.243 178.337 176.300 -0.343 0.000 1.137 540 R CA 1.435 57.300 56.100 -0.392 0.000 0.951 540 R CB -0.676 29.313 30.300 -0.518 0.000 0.851 540 R HN 0.191 nan 8.270 nan 0.000 0.434 541 L N 0.841 121.854 121.223 -0.349 0.000 2.042 541 L HA -0.214 4.121 4.340 -0.007 0.000 0.210 541 L C 2.216 178.886 176.870 -0.334 0.000 1.076 541 L CA 1.704 56.366 54.840 -0.296 0.000 0.749 541 L CB -0.580 41.350 42.059 -0.215 0.000 0.893 541 L HN 0.199 nan 8.230 nan 0.000 0.432 542 C N -0.601 118.414 119.300 -0.476 0.000 2.432 542 C HA -0.132 4.324 4.460 -0.007 0.000 0.277 542 C C 2.697 177.530 174.990 -0.261 0.000 1.249 542 C CA 0.542 59.331 59.018 -0.382 0.000 1.725 542 C CB -0.901 26.508 27.740 -0.551 0.000 2.028 542 C HN 0.561 nan 8.230 nan 0.000 0.477 543 I N 0.721 121.115 120.570 -0.294 0.000 2.163 543 I HA -0.170 3.995 4.170 -0.007 0.000 0.240 543 I C 2.560 178.422 176.117 -0.424 0.000 1.081 543 I CA 1.615 62.742 61.300 -0.287 0.000 1.353 543 I CB -1.654 36.251 38.000 -0.159 0.000 1.054 543 I HN 0.492 nan 8.210 nan 0.000 0.407 544 Q N 0.153 119.767 119.800 -0.311 0.000 2.234 544 Q HA -0.127 4.208 4.340 -0.007 0.000 0.206 544 Q C 1.857 177.674 176.000 -0.304 0.000 0.980 544 Q CA 1.432 57.066 55.803 -0.281 0.000 0.869 544 Q CB -0.096 28.515 28.738 -0.212 0.000 0.912 544 Q HN 0.370 nan 8.270 nan 0.000 0.436 545 S N 0.140 115.659 115.700 -0.301 0.000 2.605 545 S HA 0.054 4.519 4.470 -0.007 0.000 0.217 545 S C -0.164 174.261 174.600 -0.293 0.000 0.958 545 S CA -0.074 57.974 58.200 -0.253 0.000 0.919 545 S CB 0.385 63.468 63.200 -0.196 0.000 0.780 545 S HN 0.208 nan 8.310 nan 0.000 0.507 546 K N -0.234 119.843 120.400 -0.538 0.000 3.251 546 K HA -0.144 4.171 4.320 -0.007 0.000 0.282 546 K C -0.897 175.609 176.600 -0.156 0.000 1.201 546 K CA 0.469 56.292 56.287 -0.773 0.000 0.827 546 K CB -2.060 30.224 32.500 -0.360 0.000 1.286 546 K HN 0.541 nan 8.250 nan 0.000 0.503 547 W N 2.958 124.091 121.300 -0.279 0.000 2.433 547 W HA 0.230 4.885 4.660 -0.008 0.000 0.331 547 W C 1.177 177.742 176.519 0.078 0.000 1.110 547 W CA -0.968 56.331 57.345 -0.076 0.000 1.450 547 W CB -0.049 29.328 29.460 -0.138 0.000 1.348 547 W HN 0.183 nan 8.180 nan 0.000 0.415 548 E N 1.911 122.352 120.200 0.402 0.000 2.130 548 E HA -0.269 4.076 4.350 -0.007 0.000 0.196 548 E C 1.218 177.771 176.600 -0.079 0.000 0.998 548 E CA 1.872 58.398 56.400 0.211 0.000 0.806 548 E CB 0.268 30.070 29.700 0.171 0.000 0.738 548 E HN 0.383 nan 8.360 nan 0.000 0.459 549 D N 0.117 120.303 120.400 -0.357 0.000 2.221 549 D HA -0.150 4.486 4.640 -0.007 0.000 0.204 549 D C 1.611 177.564 176.300 -0.577 0.000 0.982 549 D CA 1.206 54.867 54.000 -0.565 0.000 0.857 549 D CB -0.167 40.052 40.800 -0.967 0.000 0.934 549 D HN 0.215 nan 8.370 nan 0.000 0.475 550 A N -0.057 122.396 122.820 -0.610 0.000 2.119 550 A HA 0.025 4.341 4.320 -0.007 0.000 0.216 550 A C 2.165 179.611 177.584 -0.229 0.000 1.152 550 A CA 0.083 51.857 52.037 -0.438 0.000 0.708 550 A CB -0.432 18.317 19.000 -0.419 0.000 0.805 550 A HN 0.162 nan 8.150 nan 0.000 0.460 551 I N 0.872 121.361 120.570 -0.135 0.000 2.118 551 I HA -0.207 3.958 4.170 -0.007 0.000 0.241 551 I C -0.306 175.747 176.117 -0.106 0.000 1.070 551 I CA 1.809 63.066 61.300 -0.073 0.000 1.327 551 I CB -1.088 36.886 38.000 -0.043 0.000 1.034 551 I HN 0.246 nan 8.210 nan 0.000 0.405 552 P HA -0.135 nan 4.420 nan 0.000 0.218 552 P C 1.907 179.142 177.300 -0.108 0.000 1.149 552 P CA 1.538 64.578 63.100 -0.099 0.000 0.817 552 P CB -0.068 31.579 31.700 -0.088 0.000 0.785 553 L N -0.465 120.679 121.223 -0.131 0.000 2.027 553 L HA -0.102 4.234 4.340 -0.007 0.000 0.206 553 L C 2.801 179.595 176.870 -0.126 0.000 1.074 553 L CA 1.671 56.441 54.840 -0.118 0.000 0.745 553 L CB -1.502 40.480 42.059 -0.128 0.000 0.898 553 L HN -0.068 nan 8.230 nan 0.000 0.433 554 A N 0.403 123.132 122.820 -0.152 0.000 1.902 554 A HA -0.159 4.156 4.320 -0.007 0.000 0.217 554 A C 2.295 179.759 177.584 -0.200 0.000 1.181 554 A CA 1.452 53.391 52.037 -0.164 0.000 0.623 554 A CB -0.764 18.140 19.000 -0.160 0.000 0.818 554 A HN 0.337 nan 8.150 nan 0.000 0.443 555 L N -0.590 120.519 121.223 -0.190 0.000 2.046 555 L HA -0.224 4.112 4.340 -0.007 0.000 0.208 555 L C 2.658 179.403 176.870 -0.208 0.000 1.077 555 L CA 2.029 56.731 54.840 -0.230 0.000 0.747 555 L CB -0.382 41.590 42.059 -0.145 0.000 0.896 555 L HN 0.497 nan 8.230 nan 0.000 0.432 556 K N 0.261 120.579 120.400 -0.137 0.000 2.026 556 K HA -0.237 4.078 4.320 -0.007 0.000 0.208 556 K C 2.251 178.793 176.600 -0.097 0.000 1.048 556 K CA 1.672 57.901 56.287 -0.096 0.000 0.929 556 K CB -0.115 32.347 32.500 -0.063 0.000 0.713 556 K HN 0.157 nan 8.250 nan 0.000 0.439 557 M N 0.221 119.760 119.600 -0.102 0.000 2.229 557 M HA -0.105 4.370 4.480 -0.007 0.000 0.264 557 M C 1.941 178.189 176.300 -0.087 0.000 1.063 557 M CA 1.611 56.865 55.300 -0.077 0.000 1.114 557 M CB -0.060 32.496 32.600 -0.073 0.000 1.387 557 M HN 0.284 nan 8.290 nan 0.000 0.420 558 A N -0.295 122.412 122.820 -0.189 0.000 1.972 558 A HA -0.147 4.169 4.320 -0.007 0.000 0.219 558 A C 2.062 179.548 177.584 -0.162 0.000 1.169 558 A CA 2.121 53.991 52.037 -0.277 0.000 0.635 558 A CB -0.955 17.592 19.000 -0.755 0.000 0.810 558 A HN 0.691 nan 8.150 nan 0.000 0.446 559 T N -2.158 112.296 114.554 -0.167 0.000 3.000 559 T HA 0.042 4.387 4.350 -0.007 0.000 0.248 559 T C 1.534 176.223 174.700 -0.017 0.000 1.034 559 T CA 0.729 62.757 62.100 -0.121 0.000 1.060 559 T CB -0.254 68.394 68.868 -0.367 0.000 0.983 559 T HN 0.717 nan 8.240 nan 0.000 0.482 560 E N 1.576 121.769 120.200 -0.011 0.000 2.347 560 E HA -0.016 4.330 4.350 -0.007 0.000 0.196 560 E C 0.671 177.300 176.600 0.048 0.000 1.008 560 E CA 0.288 56.705 56.400 0.028 0.000 0.852 560 E CB -0.171 29.537 29.700 0.013 0.000 0.783 560 E HN 0.712 nan 8.360 nan 0.000 0.505 561 Q N -1.379 118.453 119.800 0.053 0.000 2.553 561 Q HA 0.594 4.929 4.340 -0.007 0.000 0.293 561 Q C 0.020 176.067 176.000 0.078 0.000 1.038 561 Q CA -0.655 55.193 55.803 0.076 0.000 0.777 561 Q CB 1.220 30.017 28.738 0.099 0.000 1.487 561 Q HN 0.013 nan 8.270 nan 0.000 0.426 562 G N -0.112 108.726 108.800 0.064 0.000 4.424 562 G HA2 0.141 4.097 3.960 -0.007 0.000 0.287 562 G HA3 0.141 4.097 3.960 -0.007 0.000 0.287 562 G C -0.664 174.186 174.900 -0.084 0.000 1.023 562 G CA -0.580 44.539 45.100 0.031 0.000 0.790 562 G HN 0.418 nan 8.290 nan 0.000 0.468 563 R N 0.889 121.328 120.500 -0.101 0.000 2.421 563 R HA 0.218 4.554 4.340 -0.007 0.000 0.305 563 R C 1.515 177.615 176.300 -0.334 0.000 1.039 563 R CA -0.291 55.638 56.100 -0.285 0.000 1.003 563 R CB 0.270 30.357 30.300 -0.354 0.000 0.959 563 R HN 0.189 nan 8.270 nan 0.000 0.427 564 M N 3.532 122.885 119.600 -0.413 0.000 2.213 564 M HA -0.228 4.248 4.480 -0.007 0.000 0.263 564 M C 2.026 178.170 176.300 -0.261 0.000 1.062 564 M CA 1.708 56.827 55.300 -0.303 0.000 1.105 564 M CB -0.248 32.133 32.600 -0.365 0.000 1.385 564 M HN 0.619 nan 8.290 nan 0.000 0.417 565 K N 0.338 120.493 120.400 -0.407 0.000 2.160 565 K HA -0.196 4.120 4.320 -0.007 0.000 0.206 565 K C 1.314 177.588 176.600 -0.544 0.000 1.047 565 K CA 1.621 57.619 56.287 -0.483 0.000 0.930 565 K CB 0.081 32.136 32.500 -0.741 0.000 0.720 565 K HN 0.175 nan 8.250 nan 0.000 0.450 566 F N -0.323 119.322 119.950 -0.508 0.000 2.399 566 F HA 0.108 4.631 4.527 -0.007 0.000 0.282 566 F C 2.480 178.205 175.800 -0.125 0.000 1.027 566 F CA 0.551 58.186 58.000 -0.608 0.000 1.333 566 F CB -0.968 37.755 39.000 -0.461 0.000 1.132 566 F HN -0.109 nan 8.300 nan 0.000 0.590 567 T N 0.836 115.451 114.554 0.102 0.000 2.746 567 T HA -0.149 4.197 4.350 -0.007 0.000 0.267 567 T C 2.138 176.965 174.700 0.211 0.000 1.039 567 T CA 1.466 63.646 62.100 0.133 0.000 1.142 567 T CB -0.198 68.753 68.868 0.139 0.000 0.866 567 T HN 0.121 nan 8.240 nan 0.000 0.444 568 R N 0.700 121.277 120.500 0.128 0.000 2.062 568 R HA -0.042 4.294 4.340 -0.007 0.000 0.231 568 R C -0.463 175.925 176.300 0.147 0.000 1.136 568 R CA 1.427 57.601 56.100 0.124 0.000 0.948 568 R CB -1.324 28.995 30.300 0.030 0.000 0.845 568 R HN 0.357 nan 8.270 nan 0.000 0.430 569 P HA -0.089 nan 4.420 nan 0.000 0.219 569 P C 1.144 178.533 177.300 0.149 0.000 1.150 569 P CA 1.061 64.266 63.100 0.175 0.000 0.814 569 P CB 0.021 31.900 31.700 0.299 0.000 0.787 570 L N -2.379 118.953 121.223 0.183 0.000 2.017 570 L HA -0.176 4.159 4.340 -0.007 0.000 0.208 570 L C 2.341 179.191 176.870 -0.034 0.000 1.073 570 L CA 1.496 56.353 54.840 0.030 0.000 0.745 570 L CB -0.948 41.099 42.059 -0.020 0.000 0.894 570 L HN -0.099 nan 8.230 nan 0.000 0.432 571 F N 0.404 120.366 119.950 0.019 0.000 2.126 571 F HA -0.252 4.271 4.527 -0.007 0.000 0.299 571 F C 2.640 178.427 175.800 -0.022 0.000 1.096 571 F CA 1.597 59.587 58.000 -0.017 0.000 1.255 571 F CB -0.391 38.578 39.000 -0.051 0.000 0.997 571 F HN -0.050 nan 8.300 nan 0.000 0.479 572 K N 0.109 120.615 120.400 0.177 0.000 2.025 572 K HA -0.175 4.141 4.320 -0.007 0.000 0.207 572 K C 1.765 178.409 176.600 0.074 0.000 1.049 572 K CA 1.779 58.122 56.287 0.093 0.000 0.933 572 K CB -0.173 32.356 32.500 0.049 0.000 0.714 572 K HN 0.062 nan 8.250 nan 0.000 0.438 573 D N 0.766 121.194 120.400 0.046 0.000 2.104 573 D HA -0.170 4.465 4.640 -0.007 0.000 0.194 573 D C 1.874 178.222 176.300 0.081 0.000 0.994 573 D CA 1.057 55.069 54.000 0.021 0.000 0.830 573 D CB -0.171 40.602 40.800 -0.045 0.000 0.959 573 D HN 0.182 nan 8.370 nan 0.000 0.452 574 L N 0.390 121.661 121.223 0.080 0.000 2.131 574 L HA -0.140 4.195 4.340 -0.007 0.000 0.210 574 L C 2.397 179.357 176.870 0.150 0.000 1.092 574 L CA 1.071 55.979 54.840 0.113 0.000 0.759 574 L CB -0.328 41.750 42.059 0.032 0.000 0.903 574 L HN -0.006 nan 8.230 nan 0.000 0.435 575 A N -0.231 122.681 122.820 0.153 0.000 1.968 575 A HA -0.031 4.285 4.320 -0.007 0.000 0.217 575 A C 2.433 180.189 177.584 0.288 0.000 1.169 575 A CA 1.349 53.512 52.037 0.210 0.000 0.638 575 A CB -0.505 18.590 19.000 0.159 0.000 0.812 575 A HN 0.367 nan 8.150 nan 0.000 0.446 576 A N -1.621 121.310 122.820 0.186 0.000 2.167 576 A HA 0.245 4.560 4.320 -0.007 0.000 0.214 576 A C 0.628 178.337 177.584 0.208 0.000 1.151 576 A CA 0.227 52.351 52.037 0.145 0.000 0.735 576 A CB -0.323 18.722 19.000 0.074 0.000 0.802 576 A HN 0.447 nan 8.150 nan 0.000 0.467 577 F N 2.364 122.339 119.950 0.042 0.000 2.404 577 F HA 0.278 4.801 4.527 -0.008 0.000 0.358 577 F C 1.078 176.910 175.800 0.054 0.000 1.120 577 F CA -2.034 55.981 58.000 0.025 0.000 1.144 577 F CB 0.637 39.640 39.000 0.005 0.000 1.133 577 F HN 0.345 nan 8.300 nan 0.000 0.495 578 D N 4.584 125.084 120.400 0.167 0.000 2.133 578 D HA -0.251 4.385 4.640 -0.007 0.000 0.195 578 D C 1.242 177.398 176.300 -0.239 0.000 0.997 578 D CA 1.518 55.497 54.000 -0.035 0.000 0.840 578 D CB -0.108 40.696 40.800 0.007 0.000 0.947 578 D HN 0.452 nan 8.370 nan 0.000 0.452 579 K N 0.212 120.204 120.400 -0.679 0.000 2.211 579 K HA -0.023 4.292 4.320 -0.007 0.000 0.203 579 K C 2.204 178.515 176.600 -0.481 0.000 1.050 579 K CA 1.284 57.179 56.287 -0.653 0.000 0.945 579 K CB -0.089 31.879 32.500 -0.886 0.000 0.732 579 K HN 0.437 nan 8.250 nan 0.000 0.451 580 S N -0.811 114.590 115.700 -0.498 0.000 2.523 580 S HA -0.001 4.465 4.470 -0.007 0.000 0.217 580 S C 1.692 176.260 174.600 -0.053 0.000 0.996 580 S CA -0.330 57.748 58.200 -0.203 0.000 0.921 580 S CB -0.241 62.888 63.200 -0.118 0.000 0.829 580 S HN 0.283 nan 8.310 nan 0.000 0.495 581 H N 2.673 121.691 119.070 -0.087 0.000 2.265 581 H HA -0.177 4.374 4.556 -0.008 0.000 0.293 581 H C 0.983 176.316 175.328 0.008 0.000 1.089 581 H CA 2.544 58.586 56.048 -0.011 0.000 1.244 581 H CB -0.442 29.314 29.762 -0.010 0.000 1.355 581 H HN 0.342 nan 8.280 nan 0.000 0.485 582 D N 0.328 120.728 120.400 -0.001 0.000 2.144 582 D HA -0.133 4.502 4.640 -0.007 0.000 0.199 582 D C 2.442 178.710 176.300 -0.053 0.000 0.984 582 D CA 0.846 54.827 54.000 -0.031 0.000 0.834 582 D CB -0.447 40.379 40.800 0.043 0.000 0.955 582 D HN 0.515 nan 8.370 nan 0.000 0.465 583 Q N -0.087 119.692 119.800 -0.035 0.000 2.079 583 Q HA -0.076 4.259 4.340 -0.007 0.000 0.200 583 Q C 2.117 178.138 176.000 0.034 0.000 0.974 583 Q CA 1.338 57.138 55.803 -0.005 0.000 0.840 583 Q CB -0.034 28.691 28.738 -0.022 0.000 0.898 583 Q HN 0.241 nan 8.270 nan 0.000 0.430 584 A N -0.231 122.602 122.820 0.021 0.000 1.877 584 A HA -0.165 4.151 4.320 -0.007 0.000 0.216 584 A C 2.215 179.893 177.584 0.157 0.000 1.186 584 A CA 1.570 53.697 52.037 0.150 0.000 0.620 584 A CB -0.799 18.275 19.000 0.123 0.000 0.822 584 A HN 0.265 nan 8.150 nan 0.000 0.443 585 V N 0.058 119.948 119.914 -0.040 0.000 2.295 585 V HA -0.252 3.863 4.120 -0.007 0.000 0.246 585 V C 2.668 178.807 176.094 0.074 0.000 1.049 585 V CA 2.285 64.572 62.300 -0.022 0.000 1.024 585 V CB -0.821 30.922 31.823 -0.133 0.000 0.648 585 V HN 0.659 nan 8.190 nan 0.000 0.447 586 R N -0.117 120.413 120.500 0.051 0.000 2.081 586 R HA -0.171 4.164 4.340 -0.007 0.000 0.235 586 R C 2.327 178.696 176.300 0.115 0.000 1.131 586 R CA 2.142 58.280 56.100 0.063 0.000 0.960 586 R CB -0.458 29.867 30.300 0.042 0.000 0.856 586 R HN 0.555 nan 8.270 nan 0.000 0.436 587 T N 0.196 114.859 114.554 0.181 0.000 2.777 587 T HA -0.190 4.156 4.350 -0.007 0.000 0.266 587 T C 1.354 176.254 174.700 0.333 0.000 1.040 587 T CA 1.481 63.750 62.100 0.281 0.000 1.141 587 T CB -0.496 68.525 68.868 0.255 0.000 0.868 587 T HN 0.386 nan 8.240 nan 0.000 0.444 588 Y N 2.378 122.744 120.300 0.110 0.000 2.097 588 Y HA -0.199 4.347 4.550 -0.007 0.000 0.282 588 Y C 2.591 178.482 175.900 -0.015 0.000 1.152 588 Y CA 1.380 59.411 58.100 -0.115 0.000 1.136 588 Y CB -0.566 37.631 38.460 -0.439 0.000 0.975 588 Y HN 0.064 nan 8.280 nan 0.000 0.498 589 Q N 0.580 120.266 119.800 -0.190 0.000 2.112 589 Q HA -0.250 4.086 4.340 -0.007 0.000 0.206 589 Q C 2.088 177.971 176.000 -0.194 0.000 0.987 589 Q CA 2.259 57.911 55.803 -0.251 0.000 0.858 589 Q CB -0.442 28.253 28.738 -0.073 0.000 0.905 589 Q HN 0.714 nan 8.270 nan 0.000 0.420 590 E N -0.624 119.538 120.200 -0.063 0.000 2.152 590 E HA -0.151 4.194 4.350 -0.007 0.000 0.192 590 E C 1.580 178.087 176.600 -0.156 0.000 0.983 590 E CA 0.817 57.171 56.400 -0.077 0.000 0.818 590 E CB -0.038 29.649 29.700 -0.021 0.000 0.758 590 E HN 0.509 nan 8.360 nan 0.000 0.467 591 H N -0.120 118.890 119.070 -0.100 0.000 2.562 591 H HA 0.093 4.645 4.556 -0.008 0.000 0.267 591 H C 1.719 176.974 175.328 -0.122 0.000 0.959 591 H CA 0.575 56.591 56.048 -0.054 0.000 1.204 591 H CB 0.298 30.091 29.762 0.052 0.000 1.430 591 H HN -0.033 nan 8.280 nan 0.000 0.545 592 K N 1.164 121.438 120.400 -0.209 0.000 2.059 592 K HA -0.219 4.096 4.320 -0.007 0.000 0.212 592 K C 2.198 178.718 176.600 -0.132 0.000 1.050 592 K CA 1.575 57.667 56.287 -0.326 0.000 0.927 592 K CB -0.208 31.909 32.500 -0.638 0.000 0.714 592 K HN 0.266 nan 8.250 nan 0.000 0.447 593 A N 0.425 123.176 122.820 -0.116 0.000 2.019 593 A HA -0.119 4.197 4.320 -0.007 0.000 0.219 593 A C 1.908 179.476 177.584 -0.025 0.000 1.164 593 A CA 1.961 53.958 52.037 -0.067 0.000 0.644 593 A CB -0.431 18.528 19.000 -0.069 0.000 0.805 593 A HN 0.560 nan 8.150 nan 0.000 0.449 594 S N -1.768 113.928 115.700 -0.006 0.000 2.572 594 S HA 0.473 4.938 4.470 -0.007 0.000 0.228 594 S C 0.509 175.156 174.600 0.079 0.000 0.963 594 S CA -0.441 57.781 58.200 0.036 0.000 0.939 594 S CB -0.300 62.919 63.200 0.032 0.000 0.804 594 S HN 0.425 nan 8.310 nan 0.000 0.480 595 M N 1.649 121.294 119.600 0.076 0.000 2.227 595 M HA 0.301 4.777 4.480 -0.007 0.000 0.316 595 M C 0.444 176.805 176.300 0.102 0.000 1.144 595 M CA -0.527 54.845 55.300 0.120 0.000 1.121 595 M CB 0.345 33.021 32.600 0.128 0.000 1.440 595 M HN 0.340 nan 8.290 nan 0.000 0.473 596 H N 2.693 121.790 119.070 0.046 0.000 2.928 596 H HA 0.031 4.582 4.556 -0.008 0.000 0.338 596 H C -1.755 173.560 175.328 -0.022 0.000 1.047 596 H CA -0.511 55.536 56.048 -0.001 0.000 1.435 596 H CB 0.737 30.503 29.762 0.006 0.000 1.428 596 H HN 0.246 nan 8.280 nan 0.000 0.590 597 P HA -0.184 nan 4.420 nan 0.000 0.217 597 P C 1.312 178.606 177.300 -0.009 0.000 1.150 597 P CA 0.967 63.980 63.100 -0.146 0.000 0.832 597 P CB 0.276 31.840 31.700 -0.226 0.000 0.787 598 V N 0.288 120.264 119.914 0.103 0.000 2.323 598 V HA -0.165 3.950 4.120 -0.007 0.000 0.244 598 V C 2.629 178.766 176.094 0.072 0.000 1.041 598 V CA 2.476 64.838 62.300 0.102 0.000 1.025 598 V CB -1.892 29.976 31.823 0.076 0.000 0.656 598 V HN 0.159 nan 8.190 nan 0.000 0.451 599 T N 0.737 115.354 114.554 0.105 0.000 2.684 599 T HA -0.201 4.144 4.350 -0.007 0.000 0.267 599 T C 2.100 176.838 174.700 0.063 0.000 1.036 599 T CA 1.706 63.818 62.100 0.020 0.000 1.148 599 T CB -0.508 68.367 68.868 0.012 0.000 0.863 599 T HN 0.557 nan 8.240 nan 0.000 0.436 600 A N 2.001 124.890 122.820 0.115 0.000 1.917 600 A HA -0.126 4.190 4.320 -0.007 0.000 0.219 600 A C 2.314 179.987 177.584 0.149 0.000 1.182 600 A CA 1.851 53.997 52.037 0.181 0.000 0.633 600 A CB -0.725 18.343 19.000 0.113 0.000 0.819 600 A HN 0.422 nan 8.150 nan 0.000 0.448 601 M N -0.392 119.255 119.600 0.077 0.000 2.099 601 M HA -0.075 4.401 4.480 -0.007 0.000 0.262 601 M C 2.020 178.320 176.300 0.001 0.000 1.067 601 M CA 1.759 57.089 55.300 0.050 0.000 1.124 601 M CB -0.660 31.967 32.600 0.044 0.000 1.353 601 M HN 0.435 nan 8.290 nan 0.000 0.410 602 L N -0.585 120.627 121.223 -0.018 0.000 2.072 602 L HA -0.160 4.175 4.340 -0.007 0.000 0.205 602 L C 2.425 179.226 176.870 -0.114 0.000 1.079 602 L CA 0.601 55.413 54.840 -0.047 0.000 0.752 602 L CB -0.756 41.282 42.059 -0.036 0.000 0.906 602 L HN 0.096 nan 8.230 nan 0.000 0.436 603 V N 0.342 120.152 119.914 -0.173 0.000 2.343 603 V HA -0.213 3.902 4.120 -0.007 0.000 0.247 603 V C 2.654 178.370 176.094 -0.630 0.000 1.051 603 V CA 2.021 64.089 62.300 -0.386 0.000 1.036 603 V CB -1.298 30.233 31.823 -0.487 0.000 0.654 603 V HN 0.569 nan 8.190 nan 0.000 0.451 604 G N -0.545 107.902 108.800 -0.587 0.000 2.446 604 G HA2 -0.287 3.668 3.960 -0.007 0.000 0.217 604 G HA3 -0.287 3.668 3.960 -0.007 0.000 0.217 604 G C 1.688 176.458 174.900 -0.217 0.000 1.168 604 G CA 1.026 45.862 45.100 -0.440 0.000 0.771 604 G HN 0.449 nan 8.290 nan 0.000 0.551 605 K N 0.104 120.428 120.400 -0.127 0.000 2.032 605 K HA -0.100 4.216 4.320 -0.007 0.000 0.209 605 K C 2.234 178.786 176.600 -0.080 0.000 1.048 605 K CA 1.435 57.682 56.287 -0.066 0.000 0.927 605 K CB -0.113 32.371 32.500 -0.025 0.000 0.712 605 K HN 0.167 nan 8.250 nan 0.000 0.441 606 D N 0.616 120.945 120.400 -0.117 0.000 2.123 606 D HA -0.149 4.486 4.640 -0.007 0.000 0.196 606 D C 1.575 177.818 176.300 -0.096 0.000 0.992 606 D CA 1.043 54.988 54.000 -0.092 0.000 0.833 606 D CB -0.028 40.716 40.800 -0.095 0.000 0.954 606 D HN 0.047 nan 8.370 nan 0.000 0.455 607 L N 0.557 121.671 121.223 -0.181 0.000 2.554 607 L HA 0.031 4.366 4.340 -0.007 0.000 0.226 607 L C 0.543 177.373 176.870 -0.067 0.000 1.137 607 L CA 0.434 55.184 54.840 -0.151 0.000 0.863 607 L CB -0.432 41.438 42.059 -0.315 0.000 0.985 607 L HN -0.079 nan 8.230 nan 0.000 0.451 608 K N -0.738 119.627 120.400 -0.057 0.000 3.096 608 K HA -0.149 4.166 4.320 -0.007 0.000 0.266 608 K C -0.444 176.155 176.600 -0.002 0.000 1.043 608 K CA 0.260 56.539 56.287 -0.013 0.000 0.758 608 K CB -2.501 30.008 32.500 0.016 0.000 1.260 608 K HN 0.097 nan 8.250 nan 0.000 0.481 609 V N 1.466 121.365 119.914 -0.024 0.000 2.459 609 V HA 0.377 4.492 4.120 -0.007 0.000 0.295 609 V C 0.578 176.707 176.094 0.058 0.000 1.029 609 V CA -0.307 62.009 62.300 0.027 0.000 0.874 609 V CB 1.798 33.650 31.823 0.048 0.000 0.985 609 V HN 0.499 nan 8.190 nan 0.000 0.438 610 D N 0.000 120.437 120.400 0.062 0.000 6.856 610 D HA 0.000 4.636 4.640 -0.007 0.000 0.175 610 D CA 0.000 54.033 54.000 0.054 0.000 0.868 610 D CB 0.000 40.843 40.800 0.071 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683