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 3lgx_1_A DATA FIRST_RESID -3 DATA SEQUENCE SLKDMIDSIE QFAQTQADFP VYDCLGERRT YGQLKRDSDS IAAFIDSLAL DATA SEQUENCE LAKSPVLVFG AQTYDMLATF VALTKSGHAY IPVDVHSAPE RILAIIEIAK DATA SEQUENCE PSLIIAIEEF PLTIEGISLV SLSEIESAKL AEMPYERTHS VKGDDNYYII DATA SEQUENCE FTSXXTGQPK GVQISHDNLL SFTNWMIEDA AFDVPKQPQM LAQPPYSFDL DATA SEQUENCE SVMYWAPTLA LGGTLFALPK ELVADFKQLF TTIAQLPVGI WTSTPSFADM DATA SEQUENCE AMLSDDFCQA KMPALTHFYF DGEELTVSTA RKLFERFPSA KIINAYGPTE DATA SEQUENCE ATVALSAIEI TREMVDNYTR LPIGYPKPDS PTYIIDEDGK ELSSGEQGEI DATA SEQUENCE IVTGPAVSKG YLNNPEKTAE AFFTFKGQPA YHTGDIGSLT EDNILLYGGR DATA SEQUENCE LDFQIKYAGY RIELEDVSQQ LNQSPMVASA VAVPRYNKEH KVQNLLAYIV DATA SEQUENCE VKDGVKERFD RELELTKAIK ASVKDHMMSY MMPSKFLYRD SLPLTPNGKI DATA SEQUENCE DIKTLINEVN 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.602 174.600 0.003 0.000 1.055 -3 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 -3 S CB 0.000 63.200 63.200 0.000 0.000 0.593 -2 L N 5.440 126.670 121.223 0.012 0.000 2.499 -2 L HA 0.405 4.746 4.340 0.000 0.000 0.273 -2 L C 1.346 178.234 176.870 0.030 0.000 1.195 -2 L CA 1.007 55.864 54.840 0.029 0.000 0.882 -2 L CB 0.387 42.471 42.059 0.042 0.000 1.133 -2 L HN 0.763 nan 8.230 nan 0.000 0.483 -1 K N 1.892 122.310 120.400 0.031 0.000 2.399 -1 K HA 0.247 4.567 4.320 0.000 0.000 0.196 -1 K C -0.203 176.402 176.600 0.007 0.000 1.117 -1 K CA 0.004 56.296 56.287 0.009 0.000 0.965 -1 K CB 1.091 33.588 32.500 -0.004 0.000 0.983 -1 K HN 0.596 nan 8.250 nan 0.000 0.531 0 D N 0.215 120.666 120.400 0.084 0.000 2.812 0 D HA 0.050 4.690 4.640 0.000 0.000 0.210 0 D C 0.053 176.550 176.300 0.328 0.000 1.260 0 D CA -0.220 53.894 54.000 0.190 0.000 0.817 0 D CB 1.611 42.469 40.800 0.098 0.000 1.694 0 D HN -0.189 nan 8.370 nan 0.000 0.530 1 M N 3.797 123.724 119.600 0.545 0.000 2.159 1 M HA -0.080 4.400 4.480 0.000 0.000 0.263 1 M C 1.387 177.897 176.300 0.351 0.000 1.063 1 M CA 1.451 56.983 55.300 0.388 0.000 1.110 1 M CB -0.100 32.728 32.600 0.381 0.000 1.374 1 M HN 0.547 nan 8.290 nan 0.000 0.411 2 I N 0.164 120.945 120.570 0.351 0.000 2.163 2 I HA -0.251 3.919 4.170 0.000 0.000 0.240 2 I C 1.885 178.124 176.117 0.203 0.000 1.081 2 I CA 1.369 62.828 61.300 0.265 0.000 1.353 2 I CB -2.010 36.129 38.000 0.232 0.000 1.054 2 I HN 0.219 nan 8.210 nan 0.000 0.407 3 D N 0.922 121.423 120.400 0.168 0.000 2.170 3 D HA -0.190 4.450 4.640 0.000 0.000 0.193 3 D C 2.434 178.766 176.300 0.054 0.000 1.004 3 D CA 1.666 55.720 54.000 0.091 0.000 0.860 3 D CB -0.279 40.558 40.800 0.061 0.000 0.931 3 D HN 0.156 nan 8.370 nan 0.000 0.448 4 S N -0.172 115.579 115.700 0.086 0.000 2.353 4 S HA -0.155 4.315 4.470 0.000 0.000 0.222 4 S C 2.095 176.740 174.600 0.074 0.000 1.035 4 S CA 1.297 59.513 58.200 0.026 0.000 1.025 4 S CB -0.311 62.991 63.200 0.169 0.000 0.902 4 S HN 0.511 nan 8.310 nan 0.000 0.440 5 I N -0.249 120.486 120.570 0.274 0.000 2.439 5 I HA -0.004 4.166 4.170 0.000 0.000 0.251 5 I C 2.132 178.422 176.117 0.288 0.000 1.139 5 I CA 1.459 63.010 61.300 0.417 0.000 1.438 5 I CB -0.364 37.899 38.000 0.438 0.000 1.085 5 I HN 0.079 nan 8.210 nan 0.000 0.427 6 E N 1.366 121.669 120.200 0.171 0.000 2.085 6 E HA -0.284 4.066 4.350 0.000 0.000 0.194 6 E C 2.262 178.894 176.600 0.054 0.000 0.994 6 E CA 1.710 58.178 56.400 0.115 0.000 0.801 6 E CB -0.224 29.527 29.700 0.085 0.000 0.743 6 E HN 0.652 nan 8.360 nan 0.000 0.453 7 Q N -1.339 118.431 119.800 -0.050 0.000 2.046 7 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 7 Q C 1.717 177.611 176.000 -0.176 0.000 0.975 7 Q CA 1.361 57.060 55.803 -0.174 0.000 0.836 7 Q CB -0.151 28.379 28.738 -0.347 0.000 0.896 7 Q HN 0.302 nan 8.270 nan 0.000 0.428 8 F N 0.008 119.938 119.950 -0.033 0.000 2.307 8 F HA -0.137 4.390 4.527 0.000 0.000 0.301 8 F C 2.113 177.908 175.800 -0.008 0.000 1.076 8 F CA 0.906 58.823 58.000 -0.139 0.000 1.383 8 F CB -0.648 38.076 39.000 -0.459 0.000 1.055 8 F HN 0.141 nan 8.300 nan 0.000 0.526 9 A N -0.488 122.470 122.820 0.230 0.000 1.930 9 A HA -0.142 4.178 4.320 0.000 0.000 0.217 9 A C 2.252 179.916 177.584 0.134 0.000 1.175 9 A CA 1.117 53.282 52.037 0.213 0.000 0.627 9 A CB -0.347 18.767 19.000 0.190 0.000 0.815 9 A HN 0.236 nan 8.150 nan 0.000 0.443 10 Q N -0.512 119.337 119.800 0.081 0.000 1.969 10 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 10 Q C 2.232 178.262 176.000 0.050 0.000 0.978 10 Q CA 2.088 57.921 55.803 0.050 0.000 0.830 10 Q CB -1.426 27.322 28.738 0.016 0.000 0.896 10 Q HN 0.569 nan 8.270 nan 0.000 0.431 11 T N 2.113 116.687 114.554 0.033 0.000 2.746 11 T HA -0.160 4.190 4.350 0.000 0.000 0.267 11 T C 1.022 175.761 174.700 0.066 0.000 1.039 11 T CA 1.741 63.860 62.100 0.032 0.000 1.142 11 T CB -0.083 68.782 68.868 -0.006 0.000 0.866 11 T HN 0.469 nan 8.240 nan 0.000 0.444 12 Q N -0.502 119.362 119.800 0.107 0.000 2.227 12 Q HA 0.708 5.048 4.340 0.000 0.000 0.332 12 Q C 1.349 177.470 176.000 0.201 0.000 0.878 12 Q CA -0.076 55.798 55.803 0.119 0.000 1.120 12 Q CB 0.340 29.098 28.738 0.033 0.000 1.315 12 Q HN 0.211 nan 8.270 nan 0.000 0.414 13 A N 1.155 124.082 122.820 0.178 0.000 2.023 13 A HA -0.264 4.056 4.320 0.000 0.000 0.223 13 A C 1.468 179.174 177.584 0.204 0.000 1.180 13 A CA 2.127 54.281 52.037 0.193 0.000 0.659 13 A CB -0.285 18.793 19.000 0.130 0.000 0.817 13 A HN 0.519 nan 8.150 nan 0.000 0.466 14 D N -2.509 118.005 120.400 0.191 0.000 2.349 14 D HA 0.172 4.812 4.640 0.000 0.000 0.214 14 D C -0.148 176.266 176.300 0.190 0.000 1.063 14 D CA -0.169 53.923 54.000 0.154 0.000 0.847 14 D CB -0.016 40.848 40.800 0.108 0.000 0.933 14 D HN 0.400 nan 8.370 nan 0.000 0.513 15 F N 3.147 123.175 119.950 0.130 0.000 2.443 15 F HA 0.231 4.758 4.527 0.000 0.000 0.353 15 F C -2.002 173.916 175.800 0.198 0.000 1.101 15 F CA -2.294 55.793 58.000 0.145 0.000 1.226 15 F CB 0.898 39.971 39.000 0.122 0.000 1.140 15 F HN -0.218 nan 8.300 nan 0.000 0.557 16 P HA 0.010 nan 4.420 nan 0.000 0.276 16 P C 0.254 177.453 177.300 -0.167 0.000 1.235 16 P CA 0.186 63.105 63.100 -0.302 0.000 0.772 16 P CB 1.859 33.298 31.700 -0.434 0.000 0.871 17 V N 3.840 123.581 119.914 -0.289 0.000 2.685 17 V HA 0.058 4.178 4.120 0.000 0.000 0.244 17 V C 0.056 176.055 176.094 -0.157 0.000 1.054 17 V CA 1.003 63.053 62.300 -0.417 0.000 1.076 17 V CB -0.552 30.697 31.823 -0.957 0.000 0.725 17 V HN 0.482 nan 8.190 nan 0.000 0.467 18 Y N 0.427 120.548 120.300 -0.298 0.000 2.462 18 Y HA 0.620 5.170 4.550 0.000 0.000 0.346 18 Y C -1.052 174.610 175.900 -0.397 0.000 0.976 18 Y CA -1.235 56.702 58.100 -0.272 0.000 1.044 18 Y CB 1.791 40.204 38.460 -0.078 0.000 1.230 18 Y HN 0.149 nan 8.280 nan 0.000 0.455 19 D N 4.382 124.203 120.400 -0.966 0.000 2.763 19 D HA 0.167 4.808 4.640 0.000 0.000 0.235 19 D C -1.805 174.055 176.300 -0.733 0.000 1.334 19 D CA -0.145 53.400 54.000 -0.758 0.000 0.950 19 D CB 1.404 41.619 40.800 -0.976 0.000 1.433 19 D HN 0.653 nan 8.370 nan 0.000 0.580 20 C N 6.858 125.942 119.300 -0.360 0.000 2.242 20 C HA 0.421 4.881 4.460 0.000 0.000 0.317 20 C C 0.960 175.911 174.990 -0.065 0.000 1.087 20 C CA -0.334 58.585 59.018 -0.165 0.000 1.535 20 C CB -2.024 25.740 27.740 0.040 0.000 1.893 20 C HN 0.785 nan 8.230 nan 0.000 0.426 21 L N 5.528 126.730 121.223 -0.035 0.000 3.533 21 L HA -0.219 4.121 4.340 0.000 0.000 0.477 21 L C 1.353 178.221 176.870 -0.002 0.000 1.306 21 L CA 0.833 55.678 54.840 0.008 0.000 0.850 21 L CB -1.968 40.095 42.059 0.007 0.000 1.654 21 L HN 1.154 nan 8.230 nan 0.000 0.863 22 G N -0.556 108.237 108.800 -0.011 0.000 2.304 22 G HA2 -0.342 3.618 3.960 0.000 0.000 0.252 22 G HA3 -0.342 3.618 3.960 0.000 0.000 0.252 22 G C 0.224 175.092 174.900 -0.054 0.000 1.014 22 G CA 0.647 45.733 45.100 -0.024 0.000 0.619 22 G HN 0.617 nan 8.290 nan 0.000 0.525 23 E N 1.066 121.234 120.200 -0.054 0.000 2.290 23 E HA 0.557 4.907 4.350 0.000 0.000 0.277 23 E C 0.496 177.046 176.600 -0.085 0.000 1.035 23 E CA -0.344 56.020 56.400 -0.060 0.000 0.873 23 E CB 0.291 29.971 29.700 -0.034 0.000 1.029 23 E HN 0.470 nan 8.360 nan 0.000 0.419 24 R N 3.305 123.734 120.500 -0.119 0.000 2.795 24 R HA 0.536 4.876 4.340 0.000 0.000 0.275 24 R C -0.643 175.520 176.300 -0.228 0.000 0.981 24 R CA -0.992 55.010 56.100 -0.163 0.000 0.917 24 R CB 1.852 32.046 30.300 -0.177 0.000 1.202 24 R HN 0.435 nan 8.270 nan 0.000 0.469 25 R N 0.493 120.830 120.500 -0.271 0.000 2.795 25 R HA 0.452 4.792 4.340 0.000 0.000 0.275 25 R C -0.561 175.595 176.300 -0.241 0.000 0.981 25 R CA -0.724 55.140 56.100 -0.393 0.000 0.917 25 R CB 2.424 32.161 30.300 -0.937 0.000 1.202 25 R HN 0.836 nan 8.270 nan 0.000 0.469 26 T N -2.423 112.032 114.554 -0.165 0.000 2.940 26 T HA 0.337 4.687 4.350 0.000 0.000 0.288 26 T C 0.991 175.685 174.700 -0.009 0.000 1.045 26 T CA -0.631 61.437 62.100 -0.054 0.000 1.018 26 T CB 0.834 69.716 68.868 0.022 0.000 1.151 26 T HN 0.475 nan 8.240 nan 0.000 0.529 27 Y N 0.935 121.304 120.300 0.115 0.000 2.224 27 Y HA 0.049 4.599 4.550 0.000 0.000 0.289 27 Y C 2.810 178.789 175.900 0.132 0.000 1.146 27 Y CA 1.883 60.077 58.100 0.156 0.000 1.182 27 Y CB -0.788 37.801 38.460 0.214 0.000 0.983 27 Y HN 0.911 nan 8.280 nan 0.000 0.524 28 G N -0.671 108.278 108.800 0.248 0.000 2.440 28 G HA2 -0.274 3.687 3.960 0.000 0.000 0.218 28 G HA3 -0.274 3.687 3.960 0.000 0.000 0.218 28 G C 1.461 176.422 174.900 0.103 0.000 1.154 28 G CA 0.945 46.138 45.100 0.156 0.000 0.767 28 G HN 0.386 nan 8.290 nan 0.000 0.552 29 Q N -0.824 119.016 119.800 0.067 0.000 2.119 29 Q HA 0.041 4.381 4.340 0.000 0.000 0.201 29 Q C 2.463 178.514 176.000 0.085 0.000 0.972 29 Q CA 0.760 56.584 55.803 0.036 0.000 0.847 29 Q CB -0.195 28.516 28.738 -0.045 0.000 0.903 29 Q HN 0.414 nan 8.270 nan 0.000 0.433 30 L N 1.363 122.649 121.223 0.105 0.000 2.046 30 L HA -0.198 4.142 4.340 0.000 0.000 0.208 30 L C 2.186 179.096 176.870 0.067 0.000 1.077 30 L CA 1.859 56.761 54.840 0.103 0.000 0.747 30 L CB -0.396 41.692 42.059 0.049 0.000 0.896 30 L HN 0.034 nan 8.230 nan 0.000 0.432 31 K N -0.712 119.751 120.400 0.105 0.000 2.002 31 K HA -0.220 4.100 4.320 0.000 0.000 0.209 31 K C 2.375 179.012 176.600 0.062 0.000 1.048 31 K CA 1.590 57.935 56.287 0.097 0.000 0.930 31 K CB -0.185 32.389 32.500 0.124 0.000 0.714 31 K HN 0.245 nan 8.250 nan 0.000 0.438 32 R N 0.377 120.913 120.500 0.060 0.000 2.083 32 R HA -0.137 4.203 4.340 0.000 0.000 0.237 32 R C 1.992 178.301 176.300 0.015 0.000 1.137 32 R CA 2.064 58.189 56.100 0.041 0.000 0.951 32 R CB -0.208 30.114 30.300 0.037 0.000 0.851 32 R HN 0.353 nan 8.270 nan 0.000 0.434 33 D N -0.402 120.004 120.400 0.009 0.000 2.097 33 D HA -0.136 4.504 4.640 0.000 0.000 0.197 33 D C 1.985 178.231 176.300 -0.090 0.000 0.984 33 D CA 1.826 55.806 54.000 -0.032 0.000 0.826 33 D CB -0.452 40.351 40.800 0.006 0.000 0.973 33 D HN 0.214 nan 8.370 nan 0.000 0.460 34 S N 0.561 116.203 115.700 -0.097 0.000 2.399 34 S HA -0.161 4.309 4.470 0.000 0.000 0.231 34 S C 1.556 176.076 174.600 -0.135 0.000 1.022 34 S CA 1.093 59.208 58.200 -0.142 0.000 0.983 34 S CB -0.164 62.955 63.200 -0.134 0.000 0.803 34 S HN -0.015 nan 8.310 nan 0.000 0.480 35 D N 1.337 121.703 120.400 -0.057 0.000 2.097 35 D HA -0.042 4.598 4.640 0.000 0.000 0.195 35 D C 2.180 178.444 176.300 -0.059 0.000 0.989 35 D CA 1.427 55.416 54.000 -0.017 0.000 0.827 35 D CB -0.657 40.207 40.800 0.108 0.000 0.966 35 D HN 0.480 nan 8.370 nan 0.000 0.456 36 S N -0.316 115.364 115.700 -0.034 0.000 2.368 36 S HA -0.057 4.413 4.470 0.000 0.000 0.224 36 S C 2.122 176.695 174.600 -0.046 0.000 1.029 36 S CA 0.499 58.687 58.200 -0.020 0.000 0.988 36 S CB -0.169 63.016 63.200 -0.026 0.000 0.838 36 S HN 0.170 nan 8.310 nan 0.000 0.462 37 I N 1.531 122.036 120.570 -0.108 0.000 2.315 37 I HA -0.131 4.039 4.170 0.000 0.000 0.248 37 I C 2.694 178.774 176.117 -0.063 0.000 1.117 37 I CA 0.950 62.195 61.300 -0.092 0.000 1.404 37 I CB -0.490 37.408 38.000 -0.170 0.000 1.071 37 I HN 0.318 nan 8.210 nan 0.000 0.419 38 A N 1.033 123.695 122.820 -0.264 0.000 1.883 38 A HA -0.203 4.117 4.320 0.000 0.000 0.217 38 A C 2.588 179.958 177.584 -0.357 0.000 1.186 38 A CA 2.010 53.746 52.037 -0.500 0.000 0.624 38 A CB -0.896 17.392 19.000 -1.187 0.000 0.822 38 A HN 0.422 nan 8.150 nan 0.000 0.444 39 A N -1.066 121.631 122.820 -0.205 0.000 1.908 39 A HA -0.078 4.242 4.320 0.000 0.000 0.218 39 A C 2.053 179.699 177.584 0.103 0.000 1.181 39 A CA 1.720 53.822 52.037 0.108 0.000 0.627 39 A CB -0.803 18.306 19.000 0.183 0.000 0.818 39 A HN 0.760 nan 8.150 nan 0.000 0.445 40 F N 0.457 120.373 119.950 -0.057 0.000 2.065 40 F HA -0.240 4.287 4.527 0.000 0.000 0.298 40 F C 1.866 177.629 175.800 -0.062 0.000 1.112 40 F CA 2.002 59.967 58.000 -0.058 0.000 1.212 40 F CB -0.413 38.536 39.000 -0.085 0.000 0.975 40 F HN 0.175 nan 8.300 nan 0.000 0.476 41 I N 1.153 121.679 120.570 -0.074 0.000 2.163 41 I HA -0.313 3.857 4.170 0.000 0.000 0.243 41 I C 2.175 178.191 176.117 -0.167 0.000 1.085 41 I CA 1.691 62.864 61.300 -0.212 0.000 1.347 41 I CB -1.026 36.905 38.000 -0.115 0.000 1.044 41 I HN 0.166 nan 8.210 nan 0.000 0.408 42 D N -0.265 120.128 120.400 -0.011 0.000 2.123 42 D HA -0.171 4.469 4.640 0.000 0.000 0.196 42 D C 2.438 178.729 176.300 -0.014 0.000 0.992 42 D CA 1.667 55.718 54.000 0.085 0.000 0.833 42 D CB -0.380 40.571 40.800 0.252 0.000 0.954 42 D HN 0.417 nan 8.370 nan 0.000 0.455 43 S N 0.434 116.093 115.700 -0.069 0.000 2.402 43 S HA -0.160 4.310 4.470 0.000 0.000 0.233 43 S C 2.143 176.646 174.600 -0.162 0.000 1.030 43 S CA 0.696 58.835 58.200 -0.101 0.000 1.003 43 S CB -0.672 62.465 63.200 -0.104 0.000 0.813 43 S HN 0.315 nan 8.310 nan 0.000 0.477 44 L N 1.072 122.138 121.223 -0.262 0.000 2.353 44 L HA 0.092 4.432 4.340 0.000 0.000 0.220 44 L C 1.756 178.543 176.870 -0.138 0.000 1.133 44 L CA 0.444 55.137 54.840 -0.244 0.000 0.798 44 L CB -1.184 40.675 42.059 -0.334 0.000 0.922 44 L HN 0.571 nan 8.230 nan 0.000 0.445 45 A N 0.118 122.882 122.820 -0.093 0.000 2.739 45 A HA -0.188 4.132 4.320 0.000 0.000 0.296 45 A C 0.341 177.901 177.584 -0.040 0.000 1.488 45 A CA 0.398 52.404 52.037 -0.051 0.000 0.746 45 A CB -2.403 16.568 19.000 -0.049 0.000 1.047 45 A HN 0.344 nan 8.150 nan 0.000 0.477 46 L N -1.248 119.955 121.223 -0.034 0.000 2.475 46 L HA 0.533 4.873 4.340 0.000 0.000 0.253 46 L C 1.034 177.938 176.870 0.056 0.000 1.198 46 L CA -1.036 53.800 54.840 -0.007 0.000 0.814 46 L CB 0.267 42.298 42.059 -0.046 0.000 1.134 46 L HN 0.487 nan 8.230 nan 0.000 0.478 47 L N 2.155 123.412 121.223 0.057 0.000 2.584 47 L HA 0.132 4.472 4.340 0.000 0.000 0.272 47 L C 0.484 177.417 176.870 0.103 0.000 1.195 47 L CA 0.406 55.280 54.840 0.057 0.000 0.920 47 L CB 0.166 42.251 42.059 0.043 0.000 1.173 47 L HN 0.677 nan 8.230 nan 0.000 0.489 48 A N 5.327 128.166 122.820 0.032 0.000 2.540 48 A HA 0.175 4.495 4.320 0.000 0.000 0.239 48 A C 1.031 178.578 177.584 -0.061 0.000 1.061 48 A CA 0.519 52.535 52.037 -0.035 0.000 0.758 48 A CB -0.296 18.659 19.000 -0.075 0.000 0.991 48 A HN 0.939 nan 8.150 nan 0.000 0.502 49 K N 0.043 120.319 120.400 -0.206 0.000 3.349 49 K HA -0.182 4.138 4.320 0.000 0.000 0.310 49 K C 0.400 176.986 176.600 -0.023 0.000 1.267 49 K CA 0.977 57.166 56.287 -0.164 0.000 0.920 49 K CB -2.405 30.045 32.500 -0.084 0.000 1.240 49 K HN 1.079 nan 8.250 nan 0.000 0.453 50 S N 1.125 116.882 115.700 0.095 0.000 2.564 50 S HA 0.359 4.829 4.470 0.000 0.000 0.278 50 S C -1.777 172.968 174.600 0.242 0.000 1.333 50 S CA -1.157 57.138 58.200 0.159 0.000 1.048 50 S CB 0.912 64.202 63.200 0.151 0.000 0.900 50 S HN -0.006 nan 8.310 nan 0.000 0.505 51 P HA 0.403 nan 4.420 nan 0.000 0.281 51 P C -1.073 176.300 177.300 0.122 0.000 1.249 51 P CA -0.640 62.544 63.100 0.141 0.000 0.810 51 P CB 1.032 32.798 31.700 0.110 0.000 1.008 52 V N 3.725 123.712 119.914 0.122 0.000 2.540 52 V HA 0.300 4.421 4.120 0.000 0.000 0.302 52 V C 0.325 176.489 176.094 0.116 0.000 1.035 52 V CA -0.902 61.444 62.300 0.076 0.000 0.873 52 V CB 1.870 33.711 31.823 0.030 0.000 0.992 52 V HN 0.467 nan 8.190 nan 0.000 0.428 53 L N 5.761 127.032 121.223 0.080 0.000 2.290 53 L HA 0.595 4.935 4.340 0.000 0.000 0.284 53 L C -0.793 176.150 176.870 0.121 0.000 1.078 53 L CA -0.194 54.715 54.840 0.114 0.000 0.815 53 L CB 1.222 43.324 42.059 0.072 0.000 1.162 53 L HN 0.502 nan 8.230 nan 0.000 0.435 54 V N 6.051 126.089 119.914 0.207 0.000 2.326 54 V HA 0.270 4.390 4.120 0.000 0.000 0.281 54 V C -0.478 175.765 176.094 0.248 0.000 1.015 54 V CA -0.451 61.969 62.300 0.200 0.000 0.823 54 V CB 1.039 33.016 31.823 0.258 0.000 1.009 54 V HN 0.541 nan 8.190 nan 0.000 0.436 55 F N 4.339 124.331 119.950 0.070 0.000 2.404 55 F HA 0.877 5.405 4.527 0.000 0.000 0.354 55 F C 0.573 176.416 175.800 0.071 0.000 1.122 55 F CA 0.479 58.554 58.000 0.125 0.000 1.080 55 F CB 1.237 40.389 39.000 0.254 0.000 1.131 55 F HN 0.677 nan 8.300 nan 0.000 0.471 56 G N 2.850 111.312 108.800 -0.563 0.000 2.325 56 G HA2 0.523 4.483 3.960 0.000 0.000 0.295 56 G HA3 0.523 4.483 3.960 0.000 0.000 0.295 56 G C -1.630 173.075 174.900 -0.325 0.000 1.274 56 G CA -0.157 44.704 45.100 -0.399 0.000 0.857 56 G HN 0.977 nan 8.290 nan 0.000 0.499 57 A N -1.355 121.360 122.820 -0.175 0.000 3.245 57 A HA 0.756 5.076 4.320 0.000 0.000 0.202 57 A C 0.874 178.522 177.584 0.107 0.000 1.796 57 A CA 0.526 52.520 52.037 -0.071 0.000 1.861 57 A CB -0.032 18.909 19.000 -0.099 0.000 1.445 57 A HN 0.529 nan 8.150 nan 0.000 0.438 58 Q N 0.377 120.248 119.800 0.118 0.000 2.135 58 Q HA 0.217 4.557 4.340 0.000 0.000 0.231 58 Q C -0.384 175.775 176.000 0.265 0.000 0.817 58 Q CA 0.132 56.098 55.803 0.273 0.000 1.073 58 Q CB 0.800 29.628 28.738 0.150 0.000 1.176 58 Q HN 0.797 nan 8.270 nan 0.000 0.478 59 T N -3.055 111.545 114.554 0.078 0.000 2.868 59 T HA 0.019 4.369 4.350 0.000 0.000 0.292 59 T C 0.832 175.351 174.700 -0.302 0.000 1.028 59 T CA -0.565 61.533 62.100 -0.004 0.000 1.059 59 T CB 0.639 69.457 68.868 -0.084 0.000 0.991 59 T HN 0.254 nan 8.240 nan 0.000 0.531 60 Y N 1.207 120.914 120.300 -0.989 0.000 2.215 60 Y HA -0.273 4.277 4.550 0.000 0.000 0.282 60 Y C 1.809 177.293 175.900 -0.695 0.000 1.207 60 Y CA 2.338 59.673 58.100 -1.276 0.000 1.196 60 Y CB -0.601 37.117 38.460 -1.236 0.000 0.969 60 Y HN 0.723 nan 8.280 nan 0.000 0.528 61 D N -0.873 119.160 120.400 -0.612 0.000 2.234 61 D HA -0.134 4.506 4.640 0.000 0.000 0.205 61 D C 2.195 178.053 176.300 -0.736 0.000 0.962 61 D CA 0.895 54.519 54.000 -0.627 0.000 0.855 61 D CB -0.091 40.490 40.800 -0.366 0.000 0.951 61 D HN 0.360 nan 8.370 nan 0.000 0.500 62 M N 0.182 119.322 119.600 -0.767 0.000 2.065 62 M HA -0.150 4.330 4.480 0.000 0.000 0.259 62 M C 2.262 177.521 176.300 -1.735 0.000 1.071 62 M CA 0.967 55.563 55.300 -1.174 0.000 1.109 62 M CB -1.074 30.932 32.600 -0.990 0.000 1.313 62 M HN 0.097 nan 8.290 nan 0.000 0.408 63 L N 0.732 121.180 121.223 -1.293 0.000 1.994 63 L HA -0.077 4.263 4.340 0.000 0.000 0.208 63 L C 2.600 178.942 176.870 -0.882 0.000 1.071 63 L CA 2.303 56.511 54.840 -1.053 0.000 0.745 63 L CB -1.154 40.556 42.059 -0.582 0.000 0.892 63 L HN 0.282 nan 8.230 nan 0.000 0.431 64 A N -1.705 120.546 122.820 -0.949 0.000 1.908 64 A HA -0.244 4.076 4.320 0.000 0.000 0.218 64 A C 2.259 179.504 177.584 -0.564 0.000 1.181 64 A CA 2.474 54.060 52.037 -0.752 0.000 0.627 64 A CB -1.257 17.188 19.000 -0.925 0.000 0.818 64 A HN 0.547 nan 8.150 nan 0.000 0.445 65 T N -0.276 113.893 114.554 -0.643 0.000 2.777 65 T HA -0.086 4.264 4.350 0.000 0.000 0.266 65 T C 1.542 176.007 174.700 -0.393 0.000 1.040 65 T CA 1.443 63.255 62.100 -0.480 0.000 1.141 65 T CB -0.427 68.158 68.868 -0.472 0.000 0.868 65 T HN 0.374 nan 8.240 nan 0.000 0.444 66 F N 1.508 121.068 119.950 -0.651 0.000 2.091 66 F HA -0.123 4.404 4.527 0.000 0.000 0.299 66 F C 2.598 178.057 175.800 -0.569 0.000 1.103 66 F CA 0.042 57.496 58.000 -0.911 0.000 1.228 66 F CB -1.641 36.526 39.000 -1.388 0.000 0.984 66 F HN -0.001 nan 8.300 nan 0.000 0.477 67 V N 0.094 119.850 119.914 -0.263 0.000 2.343 67 V HA -0.272 3.848 4.120 0.000 0.000 0.247 67 V C 2.647 178.654 176.094 -0.145 0.000 1.051 67 V CA 1.622 63.824 62.300 -0.163 0.000 1.036 67 V CB -1.581 30.160 31.823 -0.137 0.000 0.654 67 V HN 0.360 nan 8.190 nan 0.000 0.451 68 A N -0.142 122.563 122.820 -0.191 0.000 1.940 68 A HA -0.160 4.160 4.320 0.000 0.000 0.219 68 A C 2.234 179.737 177.584 -0.136 0.000 1.176 68 A CA 1.807 53.729 52.037 -0.192 0.000 0.631 68 A CB -0.527 18.350 19.000 -0.205 0.000 0.814 68 A HN 0.514 nan 8.150 nan 0.000 0.446 69 L N -0.876 120.297 121.223 -0.083 0.000 2.093 69 L HA -0.138 4.203 4.340 0.000 0.000 0.208 69 L C 2.785 179.665 176.870 0.017 0.000 1.085 69 L CA 1.634 56.486 54.840 0.022 0.000 0.755 69 L CB -0.802 41.308 42.059 0.085 0.000 0.904 69 L HN 0.359 nan 8.230 nan 0.000 0.435 70 T N -0.485 114.020 114.554 -0.082 0.000 2.674 70 T HA -0.203 4.147 4.350 0.000 0.000 0.265 70 T C 1.893 176.550 174.700 -0.072 0.000 1.039 70 T CA 1.221 63.213 62.100 -0.182 0.000 1.150 70 T CB -0.122 68.567 68.868 -0.298 0.000 0.864 70 T HN 0.233 nan 8.240 nan 0.000 0.427 71 K N 1.394 121.767 120.400 -0.045 0.000 2.160 71 K HA -0.077 4.243 4.320 0.000 0.000 0.206 71 K C 2.169 178.774 176.600 0.008 0.000 1.047 71 K CA 1.597 57.892 56.287 0.013 0.000 0.930 71 K CB -0.111 32.373 32.500 -0.027 0.000 0.720 71 K HN 0.433 nan 8.250 nan 0.000 0.450 72 S N -1.138 114.540 115.700 -0.036 0.000 2.575 72 S HA 0.232 4.702 4.470 0.000 0.000 0.237 72 S C 0.858 175.511 174.600 0.088 0.000 0.975 72 S CA 0.012 58.214 58.200 0.003 0.000 0.960 72 S CB 0.790 64.038 63.200 0.081 0.000 0.822 72 S HN 0.376 nan 8.310 nan 0.000 0.472 73 G N 1.731 110.522 108.800 -0.015 0.000 2.198 73 G HA2 -0.189 3.771 3.960 0.000 0.000 0.257 73 G HA3 -0.189 3.771 3.960 0.000 0.000 0.257 73 G C -0.285 174.419 174.900 -0.327 0.000 1.042 73 G CA -0.002 45.036 45.100 -0.103 0.000 0.791 73 G HN 0.720 nan 8.290 nan 0.000 0.502 74 H N -0.374 118.704 119.070 0.013 0.000 2.658 74 H HA 0.605 5.161 4.556 0.000 0.000 0.337 74 H C 0.592 175.922 175.328 0.003 0.000 1.009 74 H CA -0.244 55.816 56.048 0.020 0.000 1.231 74 H CB 1.754 31.538 29.762 0.036 0.000 1.508 74 H HN 0.578 nan 8.280 nan 0.000 0.517 75 A N 3.510 126.372 122.820 0.071 0.000 2.520 75 A HA 0.188 4.508 4.320 0.000 0.000 0.235 75 A C -0.444 177.209 177.584 0.114 0.000 1.065 75 A CA 0.061 52.106 52.037 0.014 0.000 0.764 75 A CB -0.448 18.538 19.000 -0.023 0.000 1.002 75 A HN 0.641 nan 8.150 nan 0.000 0.502 76 Y N -0.683 119.636 120.300 0.033 0.000 2.496 76 Y HA 0.767 5.317 4.550 0.000 0.000 0.331 76 Y C -0.494 175.446 175.900 0.066 0.000 1.140 76 Y CA -1.813 56.303 58.100 0.027 0.000 1.166 76 Y CB 1.050 39.474 38.460 -0.059 0.000 1.249 76 Y HN 0.387 nan 8.280 nan 0.000 0.479 77 I N 4.135 124.846 120.570 0.236 0.000 2.502 77 I HA 0.288 4.458 4.170 0.000 0.000 0.276 77 I C -2.677 173.601 176.117 0.269 0.000 1.057 77 I CA -2.213 59.226 61.300 0.231 0.000 1.163 77 I CB 1.481 39.632 38.000 0.252 0.000 1.288 77 I HN 0.399 nan 8.210 nan 0.000 0.479 78 P HA 0.136 nan 4.420 nan 0.000 0.271 78 P C -0.506 176.951 177.300 0.262 0.000 1.226 78 P CA 0.032 63.307 63.100 0.291 0.000 0.765 78 P CB 1.554 33.416 31.700 0.270 0.000 0.835 79 V N 4.229 124.292 119.914 0.248 0.000 2.487 79 V HA 0.266 4.386 4.120 0.000 0.000 0.298 79 V C 0.356 176.498 176.094 0.081 0.000 1.028 79 V CA -0.554 61.886 62.300 0.233 0.000 0.860 79 V CB 1.967 34.012 31.823 0.369 0.000 0.991 79 V HN 0.593 nan 8.190 nan 0.000 0.427 80 D N 3.115 123.540 120.400 0.040 0.000 2.253 80 D HA 0.161 4.801 4.640 0.000 0.000 0.249 80 D C 0.986 177.090 176.300 -0.327 0.000 1.049 80 D CA -0.387 53.544 54.000 -0.115 0.000 0.929 80 D CB 2.513 43.326 40.800 0.021 0.000 1.176 80 D HN 0.300 nan 8.370 nan 0.000 0.437 81 V N 3.490 123.055 119.914 -0.581 0.000 2.469 81 V HA -0.232 3.889 4.120 0.000 0.000 0.251 81 V C 1.148 177.078 176.094 -0.274 0.000 1.064 81 V CA 1.818 63.705 62.300 -0.687 0.000 1.066 81 V CB -0.774 30.665 31.823 -0.641 0.000 0.667 81 V HN 0.557 nan 8.190 nan 0.000 0.461 82 H N -0.464 118.589 119.070 -0.027 0.000 2.645 82 H HA 0.300 4.856 4.556 0.000 0.000 0.300 82 H C 0.765 176.123 175.328 0.049 0.000 1.065 82 H CA -0.124 55.937 56.048 0.022 0.000 1.173 82 H CB -0.038 29.726 29.762 0.003 0.000 1.383 82 H HN 0.306 nan 8.280 nan 0.000 0.566 83 S N 1.140 116.940 115.700 0.166 0.000 2.562 83 S HA 0.452 4.922 4.470 0.000 0.000 0.275 83 S C 0.447 175.113 174.600 0.109 0.000 1.281 83 S CA -0.796 57.490 58.200 0.143 0.000 1.045 83 S CB 0.890 64.193 63.200 0.170 0.000 0.962 83 S HN 0.554 nan 8.310 nan 0.000 0.503 84 A N 4.514 127.377 122.820 0.070 0.000 2.540 84 A HA 0.233 4.553 4.320 0.000 0.000 0.239 84 A C -1.591 175.998 177.584 0.009 0.000 1.061 84 A CA -0.756 51.303 52.037 0.036 0.000 0.758 84 A CB -0.339 18.677 19.000 0.027 0.000 0.991 84 A HN 0.554 nan 8.150 nan 0.000 0.502 85 P HA -0.100 nan 4.420 nan 0.000 0.217 85 P C 1.126 178.388 177.300 -0.064 0.000 1.150 85 P CA 1.033 64.085 63.100 -0.080 0.000 0.832 85 P CB 0.293 31.930 31.700 -0.105 0.000 0.787 86 E N -0.547 119.631 120.200 -0.036 0.000 2.118 86 E HA -0.213 4.137 4.350 0.000 0.000 0.195 86 E C 2.065 178.653 176.600 -0.022 0.000 0.992 86 E CA 1.128 57.513 56.400 -0.025 0.000 0.804 86 E CB -0.585 29.109 29.700 -0.011 0.000 0.741 86 E HN -0.021 nan 8.360 nan 0.000 0.458 87 R N 0.757 121.249 120.500 -0.013 0.000 2.080 87 R HA -0.066 4.274 4.340 0.000 0.000 0.236 87 R C 2.151 178.425 176.300 -0.044 0.000 1.137 87 R CA 1.635 57.726 56.100 -0.014 0.000 0.943 87 R CB -0.873 29.436 30.300 0.013 0.000 0.846 87 R HN 0.253 nan 8.270 nan 0.000 0.431 88 I N 0.446 120.999 120.570 -0.029 0.000 2.264 88 I HA -0.247 3.923 4.170 0.000 0.000 0.248 88 I C 2.088 178.180 176.117 -0.042 0.000 1.111 88 I CA 0.898 62.182 61.300 -0.027 0.000 1.382 88 I CB -0.422 37.544 38.000 -0.056 0.000 1.060 88 I HN 0.205 nan 8.210 nan 0.000 0.418 89 L N 1.192 122.386 121.223 -0.047 0.000 2.046 89 L HA -0.119 4.222 4.340 0.000 0.000 0.208 89 L C 2.581 179.431 176.870 -0.034 0.000 1.077 89 L CA 2.067 56.889 54.840 -0.031 0.000 0.747 89 L CB -0.929 41.112 42.059 -0.030 0.000 0.896 89 L HN 0.194 nan 8.230 nan 0.000 0.432 90 A N -0.272 122.519 122.820 -0.047 0.000 1.877 90 A HA -0.206 4.114 4.320 0.000 0.000 0.216 90 A C 2.286 179.810 177.584 -0.099 0.000 1.186 90 A CA 2.113 54.124 52.037 -0.044 0.000 0.620 90 A CB -0.888 18.096 19.000 -0.027 0.000 0.822 90 A HN 0.472 nan 8.150 nan 0.000 0.443 91 I N -0.342 120.084 120.570 -0.241 0.000 2.208 91 I HA -0.296 3.874 4.170 0.000 0.000 0.245 91 I C 2.265 178.262 176.117 -0.200 0.000 1.097 91 I CA 1.491 62.487 61.300 -0.508 0.000 1.363 91 I CB -0.293 37.285 38.000 -0.702 0.000 1.051 91 I HN 0.323 nan 8.210 nan 0.000 0.413 92 I N 0.250 120.770 120.570 -0.083 0.000 2.252 92 I HA -0.251 3.919 4.170 0.000 0.000 0.245 92 I C 2.395 178.523 176.117 0.018 0.000 1.102 92 I CA 1.396 62.692 61.300 -0.006 0.000 1.385 92 I CB -0.387 37.626 38.000 0.022 0.000 1.064 92 I HN 0.214 nan 8.210 nan 0.000 0.414 93 E N 0.815 121.023 120.200 0.013 0.000 2.110 93 E HA -0.188 4.162 4.350 0.000 0.000 0.193 93 E C 2.268 178.905 176.600 0.061 0.000 0.988 93 E CA 1.271 57.691 56.400 0.033 0.000 0.804 93 E CB -0.062 29.654 29.700 0.027 0.000 0.745 93 E HN 0.499 nan 8.360 nan 0.000 0.458 94 I N 0.864 121.485 120.570 0.086 0.000 2.193 94 I HA -0.182 3.988 4.170 0.000 0.000 0.240 94 I C 2.429 178.654 176.117 0.179 0.000 1.084 94 I CA 1.072 62.468 61.300 0.160 0.000 1.365 94 I CB -0.132 38.037 38.000 0.282 0.000 1.064 94 I HN 0.039 nan 8.210 nan 0.000 0.410 95 A N -0.427 122.514 122.820 0.202 0.000 2.072 95 A HA -0.027 4.293 4.320 0.000 0.000 0.216 95 A C 1.117 178.776 177.584 0.125 0.000 1.156 95 A CA 0.210 52.375 52.037 0.214 0.000 0.701 95 A CB -0.125 19.050 19.000 0.292 0.000 0.816 95 A HN 0.315 nan 8.150 nan 0.000 0.458 96 K N -0.690 119.763 120.400 0.088 0.000 3.653 96 K HA -0.103 4.217 4.320 0.000 0.000 0.275 96 K C -2.630 174.005 176.600 0.058 0.000 0.962 96 K CA 0.739 57.062 56.287 0.060 0.000 0.773 96 K CB -1.427 31.107 32.500 0.055 0.000 1.463 96 K HN 0.456 nan 8.250 nan 0.000 0.450 97 P HA 0.026 nan 4.420 nan 0.000 0.271 97 P C 0.415 177.727 177.300 0.020 0.000 1.218 97 P CA -0.076 63.051 63.100 0.046 0.000 0.780 97 P CB 1.417 33.139 31.700 0.037 0.000 0.901 98 S N 1.394 117.104 115.700 0.017 0.000 2.527 98 S HA 0.166 4.636 4.470 0.000 0.000 0.222 98 S C 0.509 175.084 174.600 -0.042 0.000 0.985 98 S CA 0.127 58.323 58.200 -0.006 0.000 0.921 98 S CB -0.453 62.750 63.200 0.005 0.000 0.772 98 S HN 0.430 nan 8.310 nan 0.000 0.529 99 L N -0.199 120.994 121.223 -0.050 0.000 2.582 99 L HA 0.628 4.968 4.340 0.000 0.000 0.257 99 L C -2.123 174.695 176.870 -0.088 0.000 0.974 99 L CA -0.734 54.058 54.840 -0.080 0.000 0.851 99 L CB 1.844 43.842 42.059 -0.102 0.000 1.424 99 L HN 0.173 nan 8.230 nan 0.000 0.412 100 I N 4.086 124.572 120.570 -0.141 0.000 2.498 100 I HA 0.479 4.649 4.170 0.000 0.000 0.290 100 I C -0.886 175.121 176.117 -0.185 0.000 1.032 100 I CA -0.502 60.673 61.300 -0.210 0.000 1.073 100 I CB 2.001 39.739 38.000 -0.438 0.000 1.251 100 I HN 0.431 nan 8.210 nan 0.000 0.426 101 I N 5.370 125.872 120.570 -0.114 0.000 2.355 101 I HA 0.380 4.550 4.170 0.000 0.000 0.288 101 I C 0.360 176.450 176.117 -0.046 0.000 0.999 101 I CA -0.390 60.867 61.300 -0.071 0.000 1.163 101 I CB 1.755 39.732 38.000 -0.038 0.000 1.316 101 I HN 0.637 nan 8.210 nan 0.000 0.454 102 A N 7.572 130.361 122.820 -0.051 0.000 2.910 102 A HA 0.367 4.687 4.320 0.000 0.000 0.316 102 A C 1.235 178.866 177.584 0.079 0.000 1.493 102 A CA -0.331 51.753 52.037 0.078 0.000 1.150 102 A CB -0.294 18.740 19.000 0.056 0.000 1.159 102 A HN 0.716 nan 8.150 nan 0.000 0.526 103 I N 0.051 120.652 120.570 0.051 0.000 2.252 103 I HA -0.065 4.105 4.170 0.000 0.000 0.245 103 I C 0.996 177.109 176.117 -0.008 0.000 1.102 103 I CA 1.231 62.505 61.300 -0.044 0.000 1.385 103 I CB -0.390 37.523 38.000 -0.145 0.000 1.064 103 I HN 0.498 nan 8.210 nan 0.000 0.414 104 E N 0.869 121.101 120.200 0.053 0.000 2.250 104 E HA 0.192 4.542 4.350 0.000 0.000 0.265 104 E C -0.375 176.383 176.600 0.264 0.000 1.033 104 E CA -0.584 55.870 56.400 0.089 0.000 0.888 104 E CB 1.111 30.806 29.700 -0.007 0.000 1.151 104 E HN 0.123 nan 8.360 nan 0.000 0.412 105 E N 0.791 121.116 120.200 0.208 0.000 2.376 105 E HA 0.012 4.362 4.350 0.000 0.000 0.266 105 E C -1.050 175.721 176.600 0.285 0.000 1.009 105 E CA -0.077 56.447 56.400 0.205 0.000 0.902 105 E CB 0.321 30.086 29.700 0.108 0.000 0.972 105 E HN 0.188 nan 8.360 nan 0.000 0.439 106 F N 7.054 126.990 119.950 -0.023 0.000 2.404 106 F HA 0.327 4.854 4.527 0.000 0.000 0.358 106 F C -1.667 173.992 175.800 -0.235 0.000 1.120 106 F CA -2.439 55.382 58.000 -0.298 0.000 1.144 106 F CB 1.275 40.103 39.000 -0.286 0.000 1.133 106 F HN 0.448 nan 8.300 nan 0.000 0.495 107 P HA 0.172 nan 4.420 nan 0.000 0.258 107 P C -0.679 176.343 177.300 -0.465 0.000 1.416 107 P CA 0.528 63.380 63.100 -0.414 0.000 0.927 107 P CB 0.290 31.812 31.700 -0.296 0.000 1.444 108 L N -0.312 120.493 121.223 -0.698 0.000 2.301 108 L HA 0.521 4.861 4.340 0.000 0.000 0.264 108 L C -0.188 176.641 176.870 -0.068 0.000 1.016 108 L CA -0.652 53.962 54.840 -0.376 0.000 0.821 108 L CB 2.387 44.180 42.059 -0.443 0.000 1.346 108 L HN -0.205 nan 8.230 nan 0.000 0.429 109 T N 0.818 115.363 114.554 -0.015 0.000 2.833 109 T HA 0.641 4.991 4.350 0.000 0.000 0.297 109 T C -0.481 174.246 174.700 0.046 0.000 1.015 109 T CA -0.552 61.574 62.100 0.044 0.000 0.963 109 T CB 1.017 69.892 68.868 0.013 0.000 0.955 109 T HN 0.348 nan 8.240 nan 0.000 0.449 110 I N 0.028 120.643 120.570 0.076 0.000 2.466 110 I HA 0.600 4.770 4.170 0.000 0.000 0.289 110 I C -0.348 175.784 176.117 0.025 0.000 1.026 110 I CA -1.286 60.041 61.300 0.044 0.000 1.078 110 I CB 1.409 39.439 38.000 0.051 0.000 1.249 110 I HN 0.458 nan 8.210 nan 0.000 0.429 111 E N 3.046 123.254 120.200 0.013 0.000 2.374 111 E HA 0.588 4.938 4.350 0.000 0.000 0.260 111 E C 0.998 177.599 176.600 0.001 0.000 1.101 111 E CA 0.869 57.272 56.400 0.004 0.000 0.907 111 E CB 0.870 30.571 29.700 0.002 0.000 1.014 111 E HN 0.977 nan 8.360 nan 0.000 0.427 112 G N 1.138 109.935 108.800 -0.006 0.000 2.697 112 G HA2 -0.199 3.761 3.960 0.000 0.000 0.200 112 G HA3 -0.199 3.761 3.960 0.000 0.000 0.200 112 G C 0.006 174.897 174.900 -0.015 0.000 1.106 112 G CA -0.246 44.850 45.100 -0.007 0.000 0.748 112 G HN 0.390 nan 8.290 nan 0.000 0.503 113 I N 1.966 122.522 120.570 -0.022 0.000 2.441 113 I HA 0.551 4.721 4.170 0.000 0.000 0.295 113 I C 0.496 176.580 176.117 -0.054 0.000 0.994 113 I CA -0.885 60.392 61.300 -0.038 0.000 1.144 113 I CB 2.000 39.974 38.000 -0.042 0.000 1.314 113 I HN 0.098 nan 8.210 nan 0.000 0.445 114 S N 4.848 120.512 115.700 -0.060 0.000 2.558 114 S HA 0.237 4.707 4.470 0.000 0.000 0.288 114 S C -0.396 174.148 174.600 -0.094 0.000 1.318 114 S CA -0.128 58.032 58.200 -0.068 0.000 1.056 114 S CB 0.278 63.434 63.200 -0.073 0.000 0.853 114 S HN 0.343 nan 8.310 nan 0.000 0.505 115 L N 4.995 126.166 121.223 -0.087 0.000 2.362 115 L HA 0.645 4.985 4.340 0.000 0.000 0.275 115 L C -1.120 175.712 176.870 -0.063 0.000 0.998 115 L CA -0.388 54.380 54.840 -0.121 0.000 0.820 115 L CB 1.699 43.678 42.059 -0.134 0.000 1.270 115 L HN 0.407 nan 8.230 nan 0.000 0.415 116 V N 3.740 123.620 119.914 -0.056 0.000 2.417 116 V HA 0.538 4.658 4.120 0.000 0.000 0.291 116 V C 0.065 176.146 176.094 -0.022 0.000 1.024 116 V CA -0.443 61.867 62.300 0.017 0.000 0.861 116 V CB 1.934 33.822 31.823 0.109 0.000 0.985 116 V HN 0.914 nan 8.190 nan 0.000 0.436 117 S N 4.580 120.270 115.700 -0.017 0.000 2.617 117 S HA 0.339 4.809 4.470 0.000 0.000 0.269 117 S C 0.958 175.519 174.600 -0.066 0.000 1.292 117 S CA -0.514 57.666 58.200 -0.032 0.000 1.010 117 S CB 1.304 64.491 63.200 -0.022 0.000 0.944 117 S HN 0.611 nan 8.310 nan 0.000 0.536 118 L N 2.113 123.302 121.223 -0.055 0.000 2.051 118 L HA -0.121 4.219 4.340 0.000 0.000 0.214 118 L C 2.644 179.449 176.870 -0.108 0.000 1.076 118 L CA 2.593 57.382 54.840 -0.084 0.000 0.758 118 L CB -1.270 40.755 42.059 -0.057 0.000 0.890 118 L HN 1.004 nan 8.230 nan 0.000 0.433 119 S N -1.379 114.271 115.700 -0.083 0.000 2.402 119 S HA -0.189 4.281 4.470 0.000 0.000 0.229 119 S C 1.878 176.404 174.600 -0.123 0.000 1.021 119 S CA 1.322 59.470 58.200 -0.087 0.000 0.974 119 S CB -0.375 62.791 63.200 -0.056 0.000 0.800 119 S HN 0.665 nan 8.310 nan 0.000 0.484 120 E N 0.307 120.425 120.200 -0.137 0.000 2.047 120 E HA -0.052 4.298 4.350 0.000 0.000 0.191 120 E C 2.014 178.355 176.600 -0.431 0.000 0.987 120 E CA 1.204 57.479 56.400 -0.209 0.000 0.799 120 E CB -0.128 29.504 29.700 -0.113 0.000 0.752 120 E HN 0.435 nan 8.360 nan 0.000 0.449 121 I N 1.628 121.955 120.570 -0.405 0.000 2.208 121 I HA -0.235 3.935 4.170 0.000 0.000 0.245 121 I C 2.224 178.131 176.117 -0.350 0.000 1.097 121 I CA 1.389 62.409 61.300 -0.466 0.000 1.363 121 I CB -0.927 36.880 38.000 -0.322 0.000 1.051 121 I HN 0.131 nan 8.210 nan 0.000 0.413 122 E N 0.513 120.568 120.200 -0.241 0.000 2.077 122 E HA -0.136 4.215 4.350 0.000 0.000 0.193 122 E C 2.391 178.890 176.600 -0.169 0.000 0.989 122 E CA 1.179 57.474 56.400 -0.175 0.000 0.800 122 E CB -0.137 29.488 29.700 -0.126 0.000 0.746 122 E HN 0.352 nan 8.360 nan 0.000 0.452 123 S N 0.877 116.469 115.700 -0.180 0.000 2.356 123 S HA -0.166 4.304 4.470 0.000 0.000 0.223 123 S C 2.081 176.585 174.600 -0.160 0.000 1.032 123 S CA 1.144 59.258 58.200 -0.143 0.000 1.005 123 S CB -0.235 62.893 63.200 -0.120 0.000 0.867 123 S HN 0.414 nan 8.310 nan 0.000 0.449 124 A N 2.034 124.691 122.820 -0.272 0.000 1.917 124 A HA -0.216 4.104 4.320 0.000 0.000 0.219 124 A C 2.038 179.524 177.584 -0.164 0.000 1.182 124 A CA 1.717 53.597 52.037 -0.261 0.000 0.633 124 A CB -0.507 18.169 19.000 -0.540 0.000 0.819 124 A HN 0.516 nan 8.150 nan 0.000 0.448 125 K N -0.839 119.458 120.400 -0.173 0.000 2.002 125 K HA -0.099 4.221 4.320 0.000 0.000 0.209 125 K C 1.622 178.178 176.600 -0.073 0.000 1.048 125 K CA 1.357 57.578 56.287 -0.111 0.000 0.930 125 K CB -0.486 31.956 32.500 -0.096 0.000 0.714 125 K HN 0.309 nan 8.250 nan 0.000 0.438 126 L N 1.013 122.191 121.223 -0.076 0.000 2.353 126 L HA -0.113 4.227 4.340 0.000 0.000 0.220 126 L C 2.232 179.079 176.870 -0.038 0.000 1.133 126 L CA 1.258 56.066 54.840 -0.053 0.000 0.798 126 L CB -0.890 41.136 42.059 -0.056 0.000 0.922 126 L HN 0.191 nan 8.230 nan 0.000 0.445 127 A N -1.042 121.754 122.820 -0.039 0.000 2.067 127 A HA -0.091 4.229 4.320 0.000 0.000 0.217 127 A C 1.096 178.679 177.584 -0.003 0.000 1.156 127 A CA 0.460 52.487 52.037 -0.016 0.000 0.683 127 A CB -0.285 18.711 19.000 -0.006 0.000 0.808 127 A HN 0.533 nan 8.150 nan 0.000 0.455 128 E N -1.170 119.025 120.200 -0.007 0.000 2.360 128 E HA -0.212 4.138 4.350 0.000 0.000 0.238 128 E C -0.525 176.090 176.600 0.025 0.000 1.186 128 E CA 0.407 56.810 56.400 0.006 0.000 0.719 128 E CB -1.813 27.890 29.700 0.005 0.000 1.236 128 E HN 0.748 nan 8.360 nan 0.000 0.386 129 M N 1.290 120.912 119.600 0.036 0.000 2.245 129 M HA 0.168 4.648 4.480 0.000 0.000 0.344 129 M C -1.546 174.804 176.300 0.084 0.000 1.170 129 M CA -1.050 54.288 55.300 0.062 0.000 1.135 129 M CB -0.055 32.594 32.600 0.082 0.000 1.574 129 M HN -0.073 nan 8.290 nan 0.000 0.452 130 P HA 0.175 nan 4.420 nan 0.000 0.277 130 P C -1.725 175.698 177.300 0.205 0.000 1.271 130 P CA -0.124 63.043 63.100 0.112 0.000 0.795 130 P CB 0.726 32.468 31.700 0.070 0.000 1.101 131 Y N -1.268 119.043 120.300 0.019 0.000 2.442 131 Y HA 0.314 4.865 4.550 0.000 0.000 0.330 131 Y C -0.815 175.093 175.900 0.012 0.000 1.100 131 Y CA -0.718 57.391 58.100 0.016 0.000 1.034 131 Y CB 1.969 40.436 38.460 0.012 0.000 1.285 131 Y HN 0.335 nan 8.280 nan 0.000 0.440 132 E N 5.443 125.233 120.200 -0.683 0.000 2.129 132 E HA 0.385 4.735 4.350 0.000 0.000 0.268 132 E C -0.903 175.302 176.600 -0.658 0.000 0.900 132 E CA -0.943 55.182 56.400 -0.458 0.000 0.755 132 E CB 0.887 30.424 29.700 -0.272 0.000 1.117 132 E HN 0.657 nan 8.360 nan 0.000 0.410 133 R N 1.694 122.010 120.500 -0.307 0.000 2.449 133 R HA 0.061 4.401 4.340 0.000 0.000 0.296 133 R C 0.960 177.172 176.300 -0.146 0.000 1.047 133 R CA 0.660 56.657 56.100 -0.173 0.000 1.018 133 R CB 0.467 30.768 30.300 0.003 0.000 0.962 133 R HN 0.589 nan 8.270 nan 0.000 0.428 134 T N -2.475 111.996 114.554 -0.138 0.000 2.992 134 T HA 0.014 4.364 4.350 0.000 0.000 0.255 134 T C 0.646 175.396 174.700 0.082 0.000 0.938 134 T CA -0.273 61.822 62.100 -0.008 0.000 0.895 134 T CB 0.293 69.199 68.868 0.064 0.000 1.221 134 T HN 0.806 nan 8.240 nan 0.000 0.512 135 H N 0.009 119.095 119.070 0.027 0.000 2.907 135 H HA 0.529 5.085 4.556 0.000 0.000 0.233 135 H C -0.833 174.518 175.328 0.040 0.000 1.285 135 H CA -0.605 55.457 56.048 0.023 0.000 0.981 135 H CB -0.270 29.498 29.762 0.009 0.000 2.255 135 H HN 0.059 nan 8.280 nan 0.000 0.601 136 S N 1.475 117.138 115.700 -0.062 0.000 2.566 136 S HA 0.032 4.502 4.470 0.000 0.000 0.280 136 S C 0.897 175.525 174.600 0.048 0.000 1.343 136 S CA 0.011 58.208 58.200 -0.005 0.000 1.036 136 S CB 1.534 64.768 63.200 0.056 0.000 0.866 136 S HN 0.485 nan 8.310 nan 0.000 0.526 137 V N 3.170 123.115 119.914 0.051 0.000 2.493 137 V HA 0.332 4.452 4.120 0.000 0.000 0.292 137 V C -0.212 176.041 176.094 0.265 0.000 1.016 137 V CA 0.619 62.977 62.300 0.097 0.000 1.097 137 V CB -0.249 31.575 31.823 0.001 0.000 0.947 137 V HN 0.775 nan 8.190 nan 0.000 0.479 138 K N 4.482 124.979 120.400 0.162 0.000 2.480 138 K HA 0.756 5.076 4.320 0.000 0.000 0.258 138 K C 0.726 177.361 176.600 0.059 0.000 0.990 138 K CA -0.275 56.064 56.287 0.086 0.000 0.857 138 K CB 1.892 34.401 32.500 0.015 0.000 1.384 138 K HN 1.105 nan 8.250 nan 0.000 0.446 139 G N 1.570 110.364 108.800 -0.010 0.000 2.665 139 G HA2 -0.351 3.609 3.960 0.000 0.000 0.326 139 G HA3 -0.351 3.609 3.960 0.000 0.000 0.326 139 G C 0.125 175.044 174.900 0.032 0.000 1.231 139 G CA 0.867 45.964 45.100 -0.005 0.000 0.992 139 G HN 0.742 nan 8.290 nan 0.000 0.549 140 D N 2.353 122.759 120.400 0.009 0.000 2.328 140 D HA 0.198 4.838 4.640 0.000 0.000 0.226 140 D C 0.294 176.594 176.300 -0.000 0.000 1.066 140 D CA 0.217 54.214 54.000 -0.005 0.000 0.861 140 D CB -0.163 40.618 40.800 -0.031 0.000 0.912 140 D HN 0.344 nan 8.370 nan 0.000 0.521 141 D N 1.673 122.092 120.400 0.030 0.000 2.488 141 D HA -0.024 4.616 4.640 0.000 0.000 0.238 141 D C 0.610 176.926 176.300 0.027 0.000 1.138 141 D CA 0.216 54.231 54.000 0.025 0.000 0.873 141 D CB 0.400 41.229 40.800 0.047 0.000 1.183 141 D HN -0.098 nan 8.370 nan 0.000 0.458 142 N N 1.826 120.515 118.700 -0.018 0.000 2.359 142 N HA -0.128 4.612 4.740 0.000 0.000 0.261 142 N C 0.497 176.003 175.510 -0.007 0.000 1.267 142 N CA 0.317 53.341 53.050 -0.043 0.000 0.864 142 N CB 0.411 38.860 38.487 -0.063 0.000 1.063 142 N HN 0.508 nan 8.380 nan 0.000 0.474 143 Y N 2.790 122.989 120.300 -0.169 0.000 2.464 143 Y HA 0.081 4.631 4.550 0.000 0.000 0.288 143 Y C -0.057 175.690 175.900 -0.255 0.000 1.133 143 Y CA 0.387 58.407 58.100 -0.133 0.000 1.223 143 Y CB 0.404 38.784 38.460 -0.133 0.000 1.187 143 Y HN 0.642 nan 8.280 nan 0.000 0.539 144 Y N -1.534 118.673 120.300 -0.156 0.000 2.609 144 Y HA 0.661 5.211 4.550 0.000 0.000 0.336 144 Y C -1.810 173.938 175.900 -0.255 0.000 1.129 144 Y CA -2.229 55.552 58.100 -0.532 0.000 1.040 144 Y CB 0.968 38.892 38.460 -0.892 0.000 1.310 144 Y HN -0.207 nan 8.280 nan 0.000 0.460 145 I N 3.845 124.450 120.570 0.058 0.000 2.468 145 I HA 0.426 4.596 4.170 0.000 0.000 0.285 145 I C -0.984 175.259 176.117 0.209 0.000 1.039 145 I CA -0.519 60.823 61.300 0.070 0.000 1.074 145 I CB 1.748 39.779 38.000 0.051 0.000 1.228 145 I HN 0.561 nan 8.210 nan 0.000 0.436 146 I N 5.347 126.040 120.570 0.205 0.000 2.493 146 I HA 0.423 4.593 4.170 0.000 0.000 0.298 146 I C -0.837 175.351 176.117 0.117 0.000 0.998 146 I CA -0.594 60.851 61.300 0.242 0.000 1.137 146 I CB 1.905 40.052 38.000 0.244 0.000 1.310 146 I HN 0.348 nan 8.210 nan 0.000 0.445 147 F N 3.029 123.065 119.950 0.144 0.000 2.421 147 F HA 0.358 4.885 4.527 0.000 0.000 0.337 147 F C 0.639 176.508 175.800 0.114 0.000 1.105 147 F CA -0.201 57.871 58.000 0.120 0.000 1.049 147 F CB 1.904 40.966 39.000 0.103 0.000 1.139 147 F HN 0.260 nan 8.300 nan 0.000 0.479 148 T N 2.176 116.851 114.554 0.202 0.000 2.888 148 T HA 0.387 4.737 4.350 0.000 0.000 0.284 148 T C -0.142 174.638 174.700 0.135 0.000 1.017 148 T CA -0.632 61.558 62.100 0.150 0.000 1.022 148 T CB 1.121 70.051 68.868 0.104 0.000 1.013 148 T HN 0.715 nan 8.240 nan 0.000 0.465 153 G N 1.790 110.621 108.800 0.051 0.000 3.662 153 G HA2 -0.160 3.800 3.960 0.000 0.000 0.251 153 G HA3 -0.160 3.800 3.960 0.000 0.000 0.251 153 G C -0.180 174.745 174.900 0.043 0.000 1.815 153 G CA 0.332 45.460 45.100 0.047 0.000 1.373 153 G HN 0.894 nan 8.290 nan 0.000 0.571 154 Q N 4.028 123.849 119.800 0.035 0.000 2.361 154 Q HA 0.491 4.831 4.340 0.000 0.000 0.276 154 Q C -1.968 174.059 176.000 0.044 0.000 1.022 154 Q CA -0.677 55.148 55.803 0.036 0.000 0.898 154 Q CB 0.806 29.560 28.738 0.027 0.000 1.246 154 Q HN 0.510 nan 8.270 nan 0.000 0.410 155 P HA 0.243 nan 4.420 nan 0.000 0.288 155 P C -1.588 175.803 177.300 0.153 0.000 1.267 155 P CA -0.420 62.770 63.100 0.150 0.000 0.815 155 P CB 1.126 32.950 31.700 0.206 0.000 0.989 156 K N 0.865 121.304 120.400 0.064 0.000 2.375 156 K HA 0.666 4.986 4.320 0.000 0.000 0.249 156 K C 0.056 176.419 176.600 -0.395 0.000 0.942 156 K CA -0.913 55.267 56.287 -0.178 0.000 0.806 156 K CB 2.108 34.198 32.500 -0.683 0.000 1.227 156 K HN 0.443 nan 8.250 nan 0.000 0.430 157 G N 1.474 109.854 108.800 -0.700 0.000 2.504 157 G HA2 0.373 4.333 3.960 0.000 0.000 0.326 157 G HA3 0.373 4.333 3.960 0.000 0.000 0.326 157 G C -0.316 174.377 174.900 -0.345 0.000 1.073 157 G CA -0.498 43.849 45.100 -1.255 0.000 1.030 157 G HN 0.317 nan 8.290 nan 0.000 0.448 158 V N 2.895 122.721 119.914 -0.148 0.000 2.521 158 V HA 0.107 4.227 4.120 0.000 0.000 0.286 158 V C 0.316 176.323 176.094 -0.146 0.000 1.034 158 V CA -0.088 62.197 62.300 -0.024 0.000 1.045 158 V CB 0.700 32.541 31.823 0.031 0.000 0.974 158 V HN 0.735 nan 8.190 nan 0.000 0.480 159 Q N 4.899 124.583 119.800 -0.195 0.000 2.278 159 Q HA 0.571 4.911 4.340 0.000 0.000 0.257 159 Q C -0.975 174.843 176.000 -0.304 0.000 0.928 159 Q CA -0.490 55.175 55.803 -0.230 0.000 0.932 159 Q CB 1.942 30.564 28.738 -0.194 0.000 1.221 159 Q HN 0.511 nan 8.270 nan 0.000 0.434 160 I N 2.323 122.629 120.570 -0.440 0.000 2.389 160 I HA 0.214 4.384 4.170 0.000 0.000 0.288 160 I C 0.408 176.292 176.117 -0.389 0.000 0.999 160 I CA -0.446 60.532 61.300 -0.536 0.000 1.129 160 I CB 1.391 38.752 38.000 -1.064 0.000 1.288 160 I HN 0.668 nan 8.210 nan 0.000 0.444 161 S N 4.310 119.879 115.700 -0.217 0.000 2.632 161 S HA 0.228 4.698 4.470 0.000 0.000 0.267 161 S C 1.297 175.914 174.600 0.028 0.000 1.276 161 S CA -0.081 58.083 58.200 -0.059 0.000 0.998 161 S CB 1.010 64.185 63.200 -0.041 0.000 0.953 161 S HN 0.718 nan 8.310 nan 0.000 0.547 162 H N 0.630 119.760 119.070 0.100 0.000 2.319 162 H HA -0.139 4.417 4.556 0.000 0.000 0.297 162 H C 1.141 176.476 175.328 0.012 0.000 1.097 162 H CA 2.184 58.314 56.048 0.136 0.000 1.285 162 H CB -0.033 29.880 29.762 0.252 0.000 1.368 162 H HN 0.709 nan 8.280 nan 0.000 0.495 163 D N -0.186 120.306 120.400 0.153 0.000 2.144 163 D HA -0.151 4.489 4.640 0.000 0.000 0.199 163 D C 1.865 178.179 176.300 0.023 0.000 0.984 163 D CA 0.725 54.759 54.000 0.057 0.000 0.834 163 D CB -0.322 40.485 40.800 0.011 0.000 0.955 163 D HN 0.439 nan 8.370 nan 0.000 0.465 164 N N 0.583 119.271 118.700 -0.021 0.000 2.069 164 N HA -0.138 4.602 4.740 0.000 0.000 0.191 164 N C 1.956 177.450 175.510 -0.027 0.000 1.031 164 N CA 0.438 53.455 53.050 -0.056 0.000 0.852 164 N CB -0.498 37.910 38.487 -0.133 0.000 1.018 164 N HN 0.195 nan 8.380 nan 0.000 0.423 165 L N 1.364 122.549 121.223 -0.064 0.000 2.046 165 L HA -0.034 4.306 4.340 0.000 0.000 0.208 165 L C 2.045 178.945 176.870 0.050 0.000 1.077 165 L CA 1.322 56.130 54.840 -0.054 0.000 0.747 165 L CB -0.642 41.258 42.059 -0.265 0.000 0.896 165 L HN 0.102 nan 8.230 nan 0.000 0.432 166 L N -0.981 120.282 121.223 0.066 0.000 2.141 166 L HA -0.171 4.169 4.340 0.000 0.000 0.209 166 L C 2.739 179.644 176.870 0.059 0.000 1.094 166 L CA 1.347 56.233 54.840 0.076 0.000 0.763 166 L CB -0.740 41.380 42.059 0.101 0.000 0.908 166 L HN 0.475 nan 8.230 nan 0.000 0.437 167 S N 0.236 115.973 115.700 0.062 0.000 2.356 167 S HA -0.266 4.204 4.470 0.000 0.000 0.223 167 S C 2.068 176.738 174.600 0.117 0.000 1.032 167 S CA 1.351 59.586 58.200 0.059 0.000 1.005 167 S CB -0.452 62.764 63.200 0.026 0.000 0.867 167 S HN 0.442 nan 8.310 nan 0.000 0.449 168 F N 2.028 121.982 119.950 0.006 0.000 2.126 168 F HA -0.098 4.429 4.527 0.000 0.000 0.299 168 F C 2.291 178.144 175.800 0.089 0.000 1.096 168 F CA 2.097 60.143 58.000 0.076 0.000 1.255 168 F CB -0.743 38.251 39.000 -0.009 0.000 0.997 168 F HN 0.242 nan 8.300 nan 0.000 0.479 169 T N 0.403 114.859 114.554 -0.163 0.000 2.851 169 T HA -0.115 4.235 4.350 0.000 0.000 0.262 169 T C 1.724 176.260 174.700 -0.273 0.000 1.043 169 T CA 1.089 62.964 62.100 -0.375 0.000 1.140 169 T CB -0.376 68.402 68.868 -0.150 0.000 0.872 169 T HN 0.277 nan 8.240 nan 0.000 0.446 170 N N 0.308 118.948 118.700 -0.101 0.000 2.104 170 N HA -0.126 4.614 4.740 0.000 0.000 0.190 170 N C 1.569 177.058 175.510 -0.036 0.000 1.024 170 N CA 1.215 54.234 53.050 -0.052 0.000 0.853 170 N CB -0.325 38.167 38.487 0.008 0.000 1.008 170 N HN 0.513 nan 8.380 nan 0.000 0.424 171 W N 2.038 123.212 121.300 -0.210 0.000 2.332 171 W HA -0.113 4.547 4.660 0.000 0.000 0.321 171 W C 2.523 178.878 176.519 -0.274 0.000 1.219 171 W CA 1.469 58.703 57.345 -0.186 0.000 1.277 171 W CB -0.796 28.579 29.460 -0.141 0.000 1.161 171 W HN -0.019 nan 8.180 nan 0.000 0.476 172 M N 0.775 119.921 119.600 -0.756 0.000 2.088 172 M HA -0.275 4.205 4.480 0.000 0.000 0.256 172 M C 2.151 178.001 176.300 -0.749 0.000 1.071 172 M CA 3.158 57.712 55.300 -1.243 0.000 1.097 172 M CB -0.768 30.940 32.600 -1.486 0.000 1.315 172 M HN 0.306 nan 8.290 nan 0.000 0.406 173 I N -2.731 117.551 120.570 -0.479 0.000 3.001 173 I HA -0.058 4.112 4.170 0.000 0.000 0.268 173 I C 1.063 177.067 176.117 -0.189 0.000 1.267 173 I CA 0.907 62.036 61.300 -0.285 0.000 1.472 173 I CB -0.428 37.460 38.000 -0.187 0.000 1.089 173 I HN 0.228 nan 8.210 nan 0.000 0.468 174 E N 1.213 121.296 120.200 -0.194 0.000 2.481 174 E HA 0.105 4.456 4.350 0.000 0.000 0.198 174 E C -0.332 176.198 176.600 -0.118 0.000 1.027 174 E CA 0.154 56.489 56.400 -0.110 0.000 0.900 174 E CB 0.163 29.835 29.700 -0.046 0.000 0.993 174 E HN 0.603 nan 8.360 nan 0.000 0.482 175 D N -0.329 119.939 120.400 -0.220 0.000 2.256 175 D HA 0.263 4.903 4.640 0.000 0.000 0.250 175 D C 0.933 177.185 176.300 -0.079 0.000 1.093 175 D CA 0.032 53.918 54.000 -0.191 0.000 0.882 175 D CB 1.362 41.901 40.800 -0.435 0.000 1.185 175 D HN -0.055 nan 8.370 nan 0.000 0.437 176 A N 3.383 126.176 122.820 -0.044 0.000 2.067 176 A HA 0.151 4.471 4.320 0.000 0.000 0.217 176 A C 1.972 179.556 177.584 -0.000 0.000 1.156 176 A CA 1.242 53.271 52.037 -0.014 0.000 0.683 176 A CB -0.548 18.442 19.000 -0.018 0.000 0.808 176 A HN 0.643 nan 8.150 nan 0.000 0.455 177 A N -0.495 122.302 122.820 -0.038 0.000 1.841 177 A HA 0.051 4.371 4.320 0.000 0.000 0.214 177 A C 1.915 179.420 177.584 -0.132 0.000 1.195 177 A CA 1.347 53.333 52.037 -0.084 0.000 0.611 177 A CB -0.857 18.051 19.000 -0.153 0.000 0.835 177 A HN 0.440 nan 8.150 nan 0.000 0.443 178 F N -0.495 119.340 119.950 -0.192 0.000 2.120 178 F HA -0.159 4.369 4.527 0.000 0.000 0.300 178 F C 1.238 176.989 175.800 -0.081 0.000 1.095 178 F CA 1.694 59.515 58.000 -0.298 0.000 1.249 178 F CB -0.417 38.237 39.000 -0.577 0.000 0.995 178 F HN 0.424 nan 8.300 nan 0.000 0.480 179 D N 0.178 120.641 120.400 0.105 0.000 2.689 179 D HA -0.176 4.464 4.640 0.000 0.000 0.237 179 D C -0.679 175.623 176.300 0.004 0.000 1.148 179 D CA 0.076 54.126 54.000 0.083 0.000 0.656 179 D CB -1.002 39.903 40.800 0.174 0.000 1.050 179 D HN -0.055 nan 8.370 nan 0.000 0.426 180 V N 1.144 121.044 119.914 -0.023 0.000 2.485 180 V HA 0.285 4.405 4.120 0.000 0.000 0.287 180 V C -1.138 174.917 176.094 -0.064 0.000 1.022 180 V CA -0.748 61.511 62.300 -0.069 0.000 1.067 180 V CB 0.430 32.218 31.823 -0.059 0.000 0.967 180 V HN 0.296 nan 8.190 nan 0.000 0.479 181 P HA 0.267 nan 4.420 nan 0.000 0.274 181 P C -0.252 177.039 177.300 -0.016 0.000 1.237 181 P CA -0.692 62.399 63.100 -0.015 0.000 0.793 181 P CB 0.580 32.290 31.700 0.016 0.000 0.977 182 K N 1.146 121.539 120.400 -0.012 0.000 2.414 182 K HA -0.013 4.307 4.320 0.000 0.000 0.272 182 K C 0.314 176.887 176.600 -0.045 0.000 0.993 182 K CA 0.287 56.553 56.287 -0.035 0.000 0.964 182 K CB -0.110 32.366 32.500 -0.040 0.000 0.925 182 K HN 0.454 nan 8.250 nan 0.000 0.487 183 Q N -0.510 119.231 119.800 -0.099 0.000 2.439 183 Q HA -0.177 4.163 4.340 0.000 0.000 0.325 183 Q C -2.259 173.786 176.000 0.076 0.000 1.372 183 Q CA -0.124 55.625 55.803 -0.089 0.000 0.909 183 Q CB -1.439 27.154 28.738 -0.243 0.000 1.167 183 Q HN 0.429 nan 8.270 nan 0.000 0.418 184 P HA -0.038 nan 4.420 nan 0.000 0.272 184 P C -0.427 176.961 177.300 0.146 0.000 1.223 184 P CA 0.312 63.458 63.100 0.076 0.000 0.784 184 P CB 0.749 32.469 31.700 0.033 0.000 0.923 185 Q N 2.267 122.146 119.800 0.130 0.000 2.456 185 Q HA 0.424 4.765 4.340 0.000 0.000 0.252 185 Q C -0.243 175.830 176.000 0.122 0.000 1.042 185 Q CA -0.067 55.870 55.803 0.223 0.000 0.766 185 Q CB 1.156 29.991 28.738 0.161 0.000 1.196 185 Q HN 0.543 nan 8.270 nan 0.000 0.504 186 M N 2.625 122.340 119.600 0.191 0.000 2.205 186 M HA 0.289 4.769 4.480 0.000 0.000 0.344 186 M C -0.159 176.154 176.300 0.022 0.000 1.085 186 M CA -1.179 54.154 55.300 0.055 0.000 1.001 186 M CB 1.586 34.234 32.600 0.079 0.000 1.626 186 M HN 0.377 nan 8.290 nan 0.000 0.442 187 L N 3.541 124.686 121.223 -0.130 0.000 2.455 187 L HA 0.294 4.634 4.340 0.000 0.000 0.272 187 L C 0.076 176.669 176.870 -0.461 0.000 1.174 187 L CA 0.648 55.344 54.840 -0.241 0.000 0.869 187 L CB 0.732 42.591 42.059 -0.333 0.000 1.130 187 L HN 0.830 nan 8.230 nan 0.000 0.474 188 A N 5.417 127.878 122.820 -0.599 0.000 3.215 188 A HA 0.228 4.548 4.320 0.000 0.000 0.320 188 A C 0.895 178.087 177.584 -0.653 0.000 1.084 188 A CA -0.412 50.908 52.037 -1.196 0.000 0.969 188 A CB -0.126 18.155 19.000 -1.198 0.000 1.064 188 A HN 0.875 nan 8.150 nan 0.000 0.513 189 Q N 0.728 120.248 119.800 -0.467 0.000 2.033 189 Q HA 0.030 4.370 4.340 0.000 0.000 0.196 189 Q C -1.604 174.275 176.000 -0.203 0.000 0.970 189 Q CA 0.934 56.513 55.803 -0.374 0.000 0.828 189 Q CB -0.888 27.479 28.738 -0.617 0.000 0.895 189 Q HN 0.431 nan 8.270 nan 0.000 0.440 190 P HA 0.062 nan 4.420 nan 0.000 0.265 190 P C -2.456 174.890 177.300 0.077 0.000 1.193 190 P CA -0.580 62.578 63.100 0.098 0.000 0.765 190 P CB 0.321 32.113 31.700 0.153 0.000 0.823 191 P HA -0.034 nan 4.420 nan 0.000 0.269 191 P C 0.153 177.479 177.300 0.044 0.000 1.215 191 P CA 0.155 63.284 63.100 0.049 0.000 0.780 191 P CB 0.480 32.252 31.700 0.120 0.000 0.898 192 Y N 0.399 120.821 120.300 0.203 0.000 2.574 192 Y HA -0.130 4.420 4.550 0.000 0.000 0.294 192 Y C 2.407 178.391 175.900 0.141 0.000 1.142 192 Y CA 1.713 59.926 58.100 0.189 0.000 1.314 192 Y CB -0.740 37.898 38.460 0.297 0.000 0.991 192 Y HN 0.373 nan 8.280 nan 0.000 0.555 193 S N -1.461 114.412 115.700 0.288 0.000 2.575 193 S HA 0.076 4.546 4.470 0.000 0.000 0.215 193 S C -0.074 174.700 174.600 0.290 0.000 0.966 193 S CA -0.293 58.060 58.200 0.256 0.000 0.911 193 S CB -0.365 62.965 63.200 0.217 0.000 0.780 193 S HN 0.144 nan 8.310 nan 0.000 0.514 194 F N 4.020 124.008 119.950 0.062 0.000 2.467 194 F HA 0.417 4.944 4.527 0.000 0.000 0.336 194 F C 0.604 176.389 175.800 -0.025 0.000 1.123 194 F CA -2.420 55.599 58.000 0.032 0.000 0.964 194 F CB 1.685 40.700 39.000 0.025 0.000 1.136 194 F HN 0.100 nan 8.300 nan 0.000 0.447 195 D N 4.631 124.996 120.400 -0.059 0.000 2.378 195 D HA -0.174 4.466 4.640 0.000 0.000 0.222 195 D C 1.697 177.673 176.300 -0.540 0.000 0.980 195 D CA 0.615 54.453 54.000 -0.270 0.000 0.907 195 D CB -0.128 40.607 40.800 -0.109 0.000 0.899 195 D HN 0.546 nan 8.370 nan 0.000 0.527 196 L N 1.445 122.080 121.223 -0.980 0.000 2.265 196 L HA -0.134 4.206 4.340 0.000 0.000 0.215 196 L C 2.258 178.786 176.870 -0.569 0.000 1.117 196 L CA 1.682 56.024 54.840 -0.829 0.000 0.782 196 L CB -0.860 40.474 42.059 -1.208 0.000 0.914 196 L HN 0.163 nan 8.230 nan 0.000 0.441 197 S N -2.193 113.181 115.700 -0.542 0.000 2.419 197 S HA -0.165 4.305 4.470 0.000 0.000 0.235 197 S C 1.872 175.970 174.600 -0.836 0.000 1.019 197 S CA 1.301 59.028 58.200 -0.788 0.000 0.982 197 S CB -1.166 61.759 63.200 -0.458 0.000 0.789 197 S HN 0.269 nan 8.310 nan 0.000 0.490 198 V N 1.880 121.453 119.914 -0.568 0.000 2.515 198 V HA -0.082 4.038 4.120 0.000 0.000 0.250 198 V C 2.507 178.239 176.094 -0.604 0.000 1.058 198 V CA 1.968 63.792 62.300 -0.792 0.000 1.064 198 V CB -0.844 30.579 31.823 -0.666 0.000 0.675 198 V HN 0.574 nan 8.190 nan 0.000 0.461 199 M N -0.010 119.372 119.600 -0.363 0.000 2.446 199 M HA -0.186 4.294 4.480 0.000 0.000 0.263 199 M C 1.950 178.259 176.300 0.014 0.000 1.066 199 M CA 1.912 57.184 55.300 -0.046 0.000 1.087 199 M CB -0.059 32.560 32.600 0.032 0.000 1.406 199 M HN 0.676 nan 8.290 nan 0.000 0.459 200 Y N -1.761 118.532 120.300 -0.012 0.000 2.422 200 Y HA 0.076 4.626 4.550 0.000 0.000 0.291 200 Y C 2.101 178.074 175.900 0.121 0.000 1.144 200 Y CA 0.174 58.308 58.100 0.058 0.000 1.208 200 Y CB -1.846 36.648 38.460 0.057 0.000 1.195 200 Y HN 0.420 nan 8.280 nan 0.000 0.535 201 W N 1.879 123.266 121.300 0.146 0.000 2.418 201 W HA 0.130 4.790 4.660 0.000 0.000 0.292 201 W C 1.848 178.491 176.519 0.207 0.000 1.213 201 W CA 1.230 58.751 57.345 0.294 0.000 1.283 201 W CB -0.986 28.681 29.460 0.344 0.000 1.119 201 W HN 0.195 nan 8.180 nan 0.000 0.542 202 A N 3.169 125.652 122.820 -0.562 0.000 1.841 202 A HA -0.124 4.196 4.320 0.000 0.000 0.214 202 A C 0.416 177.948 177.584 -0.086 0.000 1.195 202 A CA 1.958 53.702 52.037 -0.488 0.000 0.611 202 A CB -2.169 16.392 19.000 -0.731 0.000 0.835 202 A HN 0.195 nan 8.150 nan 0.000 0.443 203 P HA -0.154 nan 4.420 nan 0.000 0.215 203 P C 1.438 178.774 177.300 0.060 0.000 1.153 203 P CA 2.000 65.062 63.100 -0.063 0.000 0.853 203 P CB -0.516 31.112 31.700 -0.119 0.000 0.788 204 T N 1.237 115.876 114.554 0.142 0.000 2.607 204 T HA -0.137 4.213 4.350 0.000 0.000 0.267 204 T C 1.993 176.837 174.700 0.239 0.000 1.049 204 T CA 1.387 63.608 62.100 0.201 0.000 1.162 204 T CB -0.936 68.098 68.868 0.277 0.000 0.863 204 T HN 0.072 nan 8.240 nan 0.000 0.424 205 L N 0.664 122.094 121.223 0.345 0.000 2.083 205 L HA -0.067 4.273 4.340 0.000 0.000 0.209 205 L C 3.027 180.129 176.870 0.387 0.000 1.083 205 L CA 1.183 56.282 54.840 0.431 0.000 0.752 205 L CB -0.734 41.639 42.059 0.524 0.000 0.899 205 L HN 0.265 nan 8.230 nan 0.000 0.433 206 A N -0.192 122.800 122.820 0.287 0.000 2.015 206 A HA -0.050 4.270 4.320 0.000 0.000 0.219 206 A C 1.989 179.769 177.584 0.327 0.000 1.163 206 A CA 1.172 53.376 52.037 0.278 0.000 0.646 206 A CB -0.277 18.801 19.000 0.130 0.000 0.806 206 A HN 0.449 nan 8.150 nan 0.000 0.448 207 L N -2.006 119.305 121.223 0.146 0.000 2.766 207 L HA 0.332 4.672 4.340 0.000 0.000 0.242 207 L C 1.321 177.930 176.870 -0.434 0.000 1.136 207 L CA 0.386 55.237 54.840 0.018 0.000 0.933 207 L CB 0.275 42.332 42.059 -0.004 0.000 1.241 207 L HN 0.486 nan 8.230 nan 0.000 0.522 208 G N 0.500 108.807 108.800 -0.822 0.000 2.137 208 G HA2 -0.215 3.745 3.960 0.000 0.000 0.237 208 G HA3 -0.215 3.745 3.960 0.000 0.000 0.237 208 G C 0.542 175.234 174.900 -0.347 0.000 1.002 208 G CA -0.050 44.196 45.100 -1.425 0.000 0.702 208 G HN 0.481 nan 8.290 nan 0.000 0.515 209 G N -1.132 107.689 108.800 0.034 0.000 2.485 209 G HA2 0.630 4.590 3.960 0.000 0.000 0.260 209 G HA3 0.630 4.590 3.960 0.000 0.000 0.260 209 G C -0.059 175.074 174.900 0.389 0.000 1.459 209 G CA 0.604 45.854 45.100 0.249 0.000 1.060 209 G HN 0.841 nan 8.290 nan 0.000 0.546 210 T N 0.315 115.023 114.554 0.256 0.000 2.921 210 T HA 0.463 4.813 4.350 0.000 0.000 0.297 210 T C -0.300 174.392 174.700 -0.014 0.000 1.013 210 T CA -0.307 61.822 62.100 0.047 0.000 0.990 210 T CB 1.434 70.248 68.868 -0.090 0.000 1.023 210 T HN 0.316 nan 8.240 nan 0.000 0.447 211 L N 2.999 124.132 121.223 -0.150 0.000 2.312 211 L HA 0.551 4.891 4.340 0.000 0.000 0.281 211 L C -0.816 175.725 176.870 -0.548 0.000 1.070 211 L CA -0.676 54.057 54.840 -0.177 0.000 0.805 211 L CB 0.574 42.613 42.059 -0.033 0.000 1.174 211 L HN 0.620 nan 8.230 nan 0.000 0.434 212 F N 2.154 121.901 119.950 -0.339 0.000 2.325 212 F HA 0.525 5.052 4.527 0.000 0.000 0.369 212 F C 0.607 176.170 175.800 -0.395 0.000 1.095 212 F CA -0.490 57.292 58.000 -0.364 0.000 1.082 212 F CB 1.318 40.174 39.000 -0.240 0.000 1.289 212 F HN 0.484 nan 8.300 nan 0.000 0.462 213 A N 4.216 126.808 122.820 -0.380 0.000 2.264 213 A HA 0.906 5.226 4.320 0.000 0.000 0.304 213 A C -0.795 176.708 177.584 -0.135 0.000 1.100 213 A CA -0.563 51.323 52.037 -0.251 0.000 0.839 213 A CB 0.847 19.742 19.000 -0.175 0.000 1.121 213 A HN 0.739 nan 8.150 nan 0.000 0.496 214 L N 0.732 121.906 121.223 -0.083 0.000 2.342 214 L HA 0.458 4.798 4.340 0.000 0.000 0.271 214 L C -2.308 174.555 176.870 -0.012 0.000 1.008 214 L CA -1.989 52.823 54.840 -0.046 0.000 0.818 214 L CB 1.824 43.846 42.059 -0.060 0.000 1.296 214 L HN 0.434 nan 8.230 nan 0.000 0.427 215 P HA 0.063 nan 4.420 nan 0.000 0.268 215 P C -0.075 177.226 177.300 0.002 0.000 1.205 215 P CA -0.352 62.751 63.100 0.005 0.000 0.771 215 P CB 0.528 32.229 31.700 0.001 0.000 0.858 216 K N 2.785 123.189 120.400 0.007 0.000 2.097 216 K HA -0.163 4.157 4.320 0.000 0.000 0.206 216 K C 1.210 177.837 176.600 0.045 0.000 1.049 216 K CA 1.209 57.513 56.287 0.028 0.000 0.933 216 K CB -0.352 32.136 32.500 -0.020 0.000 0.717 216 K HN 0.432 nan 8.250 nan 0.000 0.442 217 E N 1.586 121.795 120.200 0.015 0.000 2.472 217 E HA -0.137 4.213 4.350 0.000 0.000 0.200 217 E C 1.640 178.221 176.600 -0.032 0.000 1.046 217 E CA 0.640 57.041 56.400 0.002 0.000 0.871 217 E CB -0.158 29.541 29.700 -0.002 0.000 0.806 217 E HN 0.431 nan 8.360 nan 0.000 0.533 218 L N 0.805 122.004 121.223 -0.039 0.000 2.640 218 L HA 0.141 4.481 4.340 0.000 0.000 0.230 218 L C 1.700 178.495 176.870 -0.124 0.000 1.123 218 L CA 0.059 54.857 54.840 -0.070 0.000 0.900 218 L CB 0.491 42.523 42.059 -0.046 0.000 1.146 218 L HN -0.018 nan 8.230 nan 0.000 0.484 219 V N -0.389 119.453 119.914 -0.119 0.000 3.608 219 V HA 0.123 4.243 4.120 0.000 0.000 0.269 219 V C 1.889 177.769 176.094 -0.357 0.000 1.245 219 V CA 1.153 63.362 62.300 -0.152 0.000 1.138 219 V CB 0.681 32.483 31.823 -0.035 0.000 0.841 219 V HN 0.448 nan 8.190 nan 0.000 0.451 220 A N -0.858 121.713 122.820 -0.414 0.000 2.259 220 A HA 0.199 4.519 4.320 0.000 0.000 0.213 220 A C 0.950 178.117 177.584 -0.695 0.000 1.209 220 A CA 0.340 52.014 52.037 -0.604 0.000 0.910 220 A CB 0.080 18.876 19.000 -0.339 0.000 0.946 220 A HN 0.476 nan 8.150 nan 0.000 0.497 221 D N -0.308 119.824 120.400 -0.446 0.000 2.494 221 D HA 0.332 4.972 4.640 0.000 0.000 0.217 221 D C 0.167 176.338 176.300 -0.216 0.000 1.153 221 D CA -0.607 53.233 54.000 -0.266 0.000 0.954 221 D CB -0.335 40.388 40.800 -0.128 0.000 1.034 221 D HN 0.164 nan 8.370 nan 0.000 0.518 222 F N 2.265 122.199 119.950 -0.026 0.000 2.293 222 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 222 F C 2.258 178.078 175.800 0.033 0.000 1.086 222 F CA 0.628 58.604 58.000 -0.039 0.000 1.375 222 F CB -0.255 38.779 39.000 0.057 0.000 1.045 222 F HN 0.311 nan 8.300 nan 0.000 0.516 223 K N 0.569 121.099 120.400 0.216 0.000 1.984 223 K HA -0.211 4.109 4.320 0.000 0.000 0.209 223 K C 2.162 178.847 176.600 0.142 0.000 1.046 223 K CA 1.489 57.887 56.287 0.184 0.000 0.934 223 K CB -0.528 32.048 32.500 0.126 0.000 0.717 223 K HN 0.021 nan 8.250 nan 0.000 0.438 224 Q N 0.225 120.069 119.800 0.072 0.000 2.167 224 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 224 Q C 1.936 177.957 176.000 0.036 0.000 0.970 224 Q CA 1.409 57.241 55.803 0.049 0.000 0.855 224 Q CB -0.493 28.254 28.738 0.014 0.000 0.911 224 Q HN 0.390 nan 8.270 nan 0.000 0.438 225 L N -0.533 120.668 121.223 -0.036 0.000 1.970 225 L HA -0.124 4.216 4.340 0.000 0.000 0.212 225 L C 1.795 178.628 176.870 -0.061 0.000 1.071 225 L CA 1.909 56.671 54.840 -0.129 0.000 0.751 225 L CB -0.814 41.061 42.059 -0.307 0.000 0.889 225 L HN 0.243 nan 8.230 nan 0.000 0.432 226 F N -0.525 119.535 119.950 0.184 0.000 2.293 226 F HA -0.099 4.428 4.527 0.000 0.000 0.300 226 F C 2.373 178.288 175.800 0.192 0.000 1.086 226 F CA 1.373 59.492 58.000 0.199 0.000 1.375 226 F CB -1.547 37.537 39.000 0.141 0.000 1.045 226 F HN 0.113 nan 8.300 nan 0.000 0.516 227 T N -1.745 112.981 114.554 0.287 0.000 2.812 227 T HA -0.128 4.222 4.350 0.000 0.000 0.264 227 T C 2.033 176.831 174.700 0.163 0.000 1.042 227 T CA 1.786 64.009 62.100 0.204 0.000 1.140 227 T CB -0.715 68.240 68.868 0.145 0.000 0.870 227 T HN 0.194 nan 8.240 nan 0.000 0.445 228 T N 2.452 117.083 114.554 0.128 0.000 2.708 228 T HA 0.036 4.386 4.350 0.000 0.000 0.266 228 T C 2.018 176.787 174.700 0.117 0.000 1.037 228 T CA 0.905 63.061 62.100 0.094 0.000 1.146 228 T CB -0.514 68.387 68.868 0.055 0.000 0.865 228 T HN 0.290 nan 8.240 nan 0.000 0.435 229 I N 1.532 122.200 120.570 0.163 0.000 2.194 229 I HA -0.258 3.912 4.170 0.000 0.000 0.246 229 I C 2.841 179.092 176.117 0.224 0.000 1.093 229 I CA 1.330 62.752 61.300 0.205 0.000 1.355 229 I CB -0.431 37.772 38.000 0.339 0.000 1.046 229 I HN 0.208 nan 8.210 nan 0.000 0.413 230 A N -0.193 122.785 122.820 0.263 0.000 2.067 230 A HA -0.220 4.100 4.320 0.000 0.000 0.219 230 A C 2.139 179.802 177.584 0.132 0.000 1.158 230 A CA 1.271 53.449 52.037 0.234 0.000 0.661 230 A CB -0.493 18.651 19.000 0.240 0.000 0.801 230 A HN 0.517 nan 8.150 nan 0.000 0.452 231 Q N -0.610 119.251 119.800 0.102 0.000 2.436 231 Q HA 0.162 4.502 4.340 0.000 0.000 0.209 231 Q C -0.297 175.718 176.000 0.026 0.000 0.965 231 Q CA 0.093 55.931 55.803 0.059 0.000 0.910 231 Q CB -0.160 28.612 28.738 0.056 0.000 0.980 231 Q HN 0.604 nan 8.270 nan 0.000 0.491 232 L N 2.888 124.114 121.223 0.005 0.000 2.305 232 L HA 0.222 4.562 4.340 0.000 0.000 0.281 232 L C -1.855 174.875 176.870 -0.234 0.000 1.085 232 L CA -1.916 52.859 54.840 -0.108 0.000 0.813 232 L CB 0.555 42.531 42.059 -0.139 0.000 1.157 232 L HN -0.099 nan 8.230 nan 0.000 0.436 233 P HA 0.047 nan 4.420 nan 0.000 0.230 233 P C -0.486 176.465 177.300 -0.581 0.000 1.791 233 P CA -0.065 62.847 63.100 -0.314 0.000 1.020 233 P CB -0.202 31.407 31.700 -0.150 0.000 1.977 234 V N -0.771 118.839 119.914 -0.506 0.000 2.439 234 V HA 0.725 4.845 4.120 0.000 0.000 0.282 234 V C 1.246 177.215 176.094 -0.208 0.000 1.039 234 V CA -0.016 62.004 62.300 -0.468 0.000 0.913 234 V CB 1.355 32.946 31.823 -0.387 0.000 0.983 234 V HN 0.217 nan 8.190 nan 0.000 0.460 235 G N 4.237 112.945 108.800 -0.154 0.000 2.545 235 G HA2 0.291 4.251 3.960 0.000 0.000 0.212 235 G HA3 0.291 4.251 3.960 0.000 0.000 0.212 235 G C 0.379 175.204 174.900 -0.125 0.000 1.144 235 G CA -0.010 45.041 45.100 -0.082 0.000 0.813 235 G HN 0.650 nan 8.290 nan 0.000 0.531 236 I N -0.123 120.341 120.570 -0.177 0.000 2.465 236 I HA 0.344 4.514 4.170 0.000 0.000 0.291 236 I C -1.160 174.807 176.117 -0.251 0.000 1.014 236 I CA -1.030 60.086 61.300 -0.306 0.000 1.093 236 I CB 2.498 40.268 38.000 -0.383 0.000 1.267 236 I HN 0.035 nan 8.210 nan 0.000 0.431 237 W N 6.595 127.554 121.300 -0.569 0.000 2.376 237 W HA 0.508 5.168 4.660 0.000 0.000 0.312 237 W C -1.337 175.027 176.519 -0.258 0.000 1.060 237 W CA -0.411 56.723 57.345 -0.353 0.000 1.221 237 W CB 1.845 31.054 29.460 -0.419 0.000 1.281 237 W HN 0.370 nan 8.180 nan 0.000 0.456 238 T N 4.857 119.357 114.554 -0.090 0.000 2.809 238 T HA 0.481 4.831 4.350 0.000 0.000 0.284 238 T C -0.244 174.511 174.700 0.091 0.000 0.992 238 T CA -0.246 61.911 62.100 0.095 0.000 0.957 238 T CB 1.517 70.506 68.868 0.201 0.000 0.942 238 T HN 0.438 nan 8.240 nan 0.000 0.439 239 S N 1.747 117.637 115.700 0.316 0.000 2.655 239 S HA 0.667 5.137 4.470 0.000 0.000 0.266 239 S C -0.350 174.622 174.600 0.621 0.000 1.149 239 S CA -0.869 57.582 58.200 0.419 0.000 0.818 239 S CB 0.849 64.397 63.200 0.580 0.000 1.130 239 S HN 0.781 nan 8.310 nan 0.000 0.476 240 T N -0.322 114.570 114.554 0.564 0.000 2.913 240 T HA 0.505 4.855 4.350 0.000 0.000 0.297 240 T C -1.736 173.248 174.700 0.473 0.000 1.029 240 T CA -1.188 61.214 62.100 0.504 0.000 1.104 240 T CB 0.484 69.590 68.868 0.397 0.000 0.964 240 T HN 0.383 nan 8.240 nan 0.000 0.532 241 P HA -0.146 nan 4.420 nan 0.000 0.216 241 P C 1.817 179.090 177.300 -0.045 0.000 1.154 241 P CA 1.155 64.121 63.100 -0.223 0.000 0.865 241 P CB -0.179 31.375 31.700 -0.242 0.000 0.789 242 S N -1.191 114.553 115.700 0.074 0.000 2.365 242 S HA -0.191 4.279 4.470 0.000 0.000 0.225 242 S C 1.643 176.326 174.600 0.139 0.000 1.039 242 S CA 1.220 59.465 58.200 0.074 0.000 1.033 242 S CB -1.192 62.069 63.200 0.102 0.000 0.887 242 S HN 0.163 nan 8.310 nan 0.000 0.447 243 F N 1.943 121.994 119.950 0.169 0.000 2.216 243 F HA -0.103 4.424 4.527 0.000 0.000 0.300 243 F C 2.151 178.105 175.800 0.257 0.000 1.085 243 F CA 1.081 59.237 58.000 0.259 0.000 1.326 243 F CB -0.305 38.910 39.000 0.359 0.000 1.027 243 F HN 0.202 nan 8.300 nan 0.000 0.497 244 A N -0.480 122.473 122.820 0.221 0.000 2.067 244 A HA -0.099 4.221 4.320 0.000 0.000 0.217 244 A C 1.907 179.284 177.584 -0.345 0.000 1.156 244 A CA 1.442 53.418 52.037 -0.101 0.000 0.683 244 A CB -0.670 18.405 19.000 0.127 0.000 0.808 244 A HN 0.390 nan 8.150 nan 0.000 0.455 245 D N 0.041 120.302 120.400 -0.232 0.000 2.097 245 D HA -0.138 4.502 4.640 0.000 0.000 0.197 245 D C 2.058 178.161 176.300 -0.329 0.000 0.984 245 D CA 1.360 55.214 54.000 -0.244 0.000 0.826 245 D CB -0.332 40.369 40.800 -0.165 0.000 0.973 245 D HN 0.456 nan 8.370 nan 0.000 0.460 246 M N 0.802 120.197 119.600 -0.342 0.000 2.082 246 M HA -0.186 4.294 4.480 0.000 0.000 0.258 246 M C 2.433 178.226 176.300 -0.846 0.000 1.069 246 M CA 1.517 56.566 55.300 -0.418 0.000 1.102 246 M CB -0.401 32.034 32.600 -0.274 0.000 1.336 246 M HN -0.044 nan 8.290 nan 0.000 0.404 247 A N -0.077 121.953 122.820 -1.318 0.000 1.948 247 A HA -0.211 4.109 4.320 0.000 0.000 0.220 247 A C 2.086 178.985 177.584 -1.142 0.000 1.177 247 A CA 1.821 52.623 52.037 -2.058 0.000 0.636 247 A CB -0.689 17.126 19.000 -1.975 0.000 0.815 247 A HN 0.493 nan 8.150 nan 0.000 0.449 248 M N -0.387 118.810 119.600 -0.673 0.000 2.549 248 M HA 0.022 4.502 4.480 0.000 0.000 0.260 248 M C 1.499 177.684 176.300 -0.191 0.000 1.076 248 M CA 0.825 55.979 55.300 -0.244 0.000 1.090 248 M CB -0.361 32.143 32.600 -0.161 0.000 1.418 248 M HN 0.449 nan 8.290 nan 0.000 0.486 249 L N -1.963 119.090 121.223 -0.282 0.000 2.095 249 L HA -0.018 4.323 4.340 0.000 0.000 0.204 249 L C 1.519 178.330 176.870 -0.098 0.000 1.080 249 L CA 0.073 54.818 54.840 -0.159 0.000 0.759 249 L CB -0.942 41.036 42.059 -0.135 0.000 0.914 249 L HN 0.149 nan 8.230 nan 0.000 0.439 250 S N 0.331 115.948 115.700 -0.139 0.000 2.558 250 S HA -0.082 4.388 4.470 0.000 0.000 0.288 250 S C 0.676 175.299 174.600 0.038 0.000 1.318 250 S CA -0.321 57.880 58.200 0.002 0.000 1.056 250 S CB 0.753 63.993 63.200 0.067 0.000 0.853 250 S HN 0.234 nan 8.310 nan 0.000 0.505 251 D N 2.053 122.485 120.400 0.054 0.000 2.183 251 D HA -0.023 4.617 4.640 0.000 0.000 0.203 251 D C 0.878 177.206 176.300 0.046 0.000 0.969 251 D CA 1.026 55.047 54.000 0.036 0.000 0.842 251 D CB -0.007 40.811 40.800 0.029 0.000 0.957 251 D HN 0.585 nan 8.370 nan 0.000 0.484 252 D N -0.315 120.144 120.400 0.099 0.000 2.340 252 D HA -0.050 4.590 4.640 0.000 0.000 0.220 252 D C 0.163 176.574 176.300 0.185 0.000 1.039 252 D CA -0.013 54.058 54.000 0.117 0.000 0.866 252 D CB -0.133 40.759 40.800 0.153 0.000 0.913 252 D HN 0.179 nan 8.370 nan 0.000 0.523 253 F N 3.149 123.118 119.950 0.032 0.000 2.659 253 F HA 0.172 4.699 4.527 0.000 0.000 0.360 253 F C 0.150 175.977 175.800 0.045 0.000 1.218 253 F CA -1.214 56.841 58.000 0.091 0.000 1.317 253 F CB -0.523 38.450 39.000 -0.044 0.000 1.697 253 F HN -0.031 nan 8.300 nan 0.000 0.637 254 C N 0.733 119.795 119.300 -0.397 0.000 3.171 254 C HA 0.394 4.854 4.460 0.000 0.000 0.308 254 C C 1.394 175.697 174.990 -1.146 0.000 1.334 254 C CA -0.788 57.651 59.018 -0.965 0.000 1.473 254 C CB 1.323 28.769 27.740 -0.490 0.000 1.866 254 C HN 0.668 nan 8.230 nan 0.000 0.465 255 Q N 0.786 119.754 119.800 -1.387 0.000 2.234 255 Q HA -0.081 4.259 4.340 0.000 0.000 0.206 255 Q C 2.118 177.934 176.000 -0.308 0.000 0.980 255 Q CA 2.268 57.647 55.803 -0.707 0.000 0.869 255 Q CB -0.166 28.308 28.738 -0.440 0.000 0.912 255 Q HN 0.957 nan 8.270 nan 0.000 0.436 256 A N 0.905 123.551 122.820 -0.290 0.000 1.858 256 A HA -0.180 4.140 4.320 0.000 0.000 0.216 256 A C 1.856 179.384 177.584 -0.094 0.000 1.190 256 A CA 1.571 53.516 52.037 -0.154 0.000 0.617 256 A CB -0.257 18.662 19.000 -0.135 0.000 0.827 256 A HN 0.166 nan 8.150 nan 0.000 0.443 257 K N -1.041 119.306 120.400 -0.088 0.000 2.361 257 K HA 0.212 4.532 4.320 0.000 0.000 0.196 257 K C 0.174 176.790 176.600 0.027 0.000 1.039 257 K CA 0.471 56.750 56.287 -0.013 0.000 1.001 257 K CB 0.115 32.627 32.500 0.021 0.000 0.795 257 K HN 0.551 nan 8.250 nan 0.000 0.495 258 M N 1.955 121.571 119.600 0.027 0.000 2.488 258 M HA 0.164 4.644 4.480 0.000 0.000 0.204 258 M C -2.025 174.335 176.300 0.099 0.000 0.969 258 M CA -1.297 54.071 55.300 0.112 0.000 0.720 258 M CB 1.732 34.492 32.600 0.267 0.000 1.427 258 M HN -0.246 nan 8.290 nan 0.000 0.427 259 P HA 0.069 nan 4.420 nan 0.000 0.236 259 P C 0.971 178.292 177.300 0.035 0.000 1.177 259 P CA 0.732 63.848 63.100 0.026 0.000 0.773 259 P CB 0.274 31.976 31.700 0.002 0.000 0.878 260 A N -0.357 122.479 122.820 0.027 0.000 2.132 260 A HA 0.081 4.401 4.320 0.000 0.000 0.213 260 A C 1.047 178.629 177.584 -0.004 0.000 1.154 260 A CA 0.101 52.141 52.037 0.004 0.000 0.753 260 A CB -0.787 18.196 19.000 -0.029 0.000 0.826 260 A HN 0.175 nan 8.150 nan 0.000 0.469 261 L N 2.162 123.397 121.223 0.020 0.000 2.363 261 L HA 0.300 4.640 4.340 0.000 0.000 0.286 261 L C 1.164 177.967 176.870 -0.113 0.000 1.106 261 L CA 1.212 56.008 54.840 -0.074 0.000 0.859 261 L CB 0.269 42.291 42.059 -0.062 0.000 1.223 261 L HN 0.289 nan 8.230 nan 0.000 0.446 262 T N -0.122 114.331 114.554 -0.169 0.000 2.985 262 T HA 0.296 4.646 4.350 0.000 0.000 0.254 262 T C 0.347 174.782 174.700 -0.442 0.000 1.021 262 T CA 0.106 62.063 62.100 -0.238 0.000 0.957 262 T CB -0.188 68.523 68.868 -0.262 0.000 1.047 262 T HN 0.578 nan 8.240 nan 0.000 0.511 263 H N -0.442 118.424 119.070 -0.340 0.000 2.667 263 H HA 0.595 5.151 4.556 0.000 0.000 0.353 263 H C -1.698 173.233 175.328 -0.661 0.000 1.072 263 H CA -0.819 55.036 56.048 -0.323 0.000 1.214 263 H CB 1.361 30.921 29.762 -0.338 0.000 1.600 263 H HN 0.135 nan 8.280 nan 0.000 0.527 264 F N 2.508 122.380 119.950 -0.132 0.000 2.467 264 F HA 0.335 4.862 4.527 0.000 0.000 0.336 264 F C -0.934 174.759 175.800 -0.178 0.000 1.123 264 F CA -0.808 57.006 58.000 -0.310 0.000 0.964 264 F CB 1.111 39.837 39.000 -0.457 0.000 1.136 264 F HN 0.448 nan 8.300 nan 0.000 0.447 265 Y N 3.713 123.896 120.300 -0.196 0.000 2.356 265 Y HA 0.464 5.014 4.550 0.000 0.000 0.334 265 Y C -0.886 174.920 175.900 -0.157 0.000 0.958 265 Y CA -2.016 56.049 58.100 -0.059 0.000 1.196 265 Y CB 0.638 39.193 38.460 0.158 0.000 1.137 265 Y HN 0.332 nan 8.280 nan 0.000 0.485 266 F N 2.307 122.497 119.950 0.400 0.000 2.469 266 F HA 0.530 5.057 4.527 0.000 0.000 0.332 266 F C 0.091 176.036 175.800 0.242 0.000 1.103 266 F CA -0.967 57.218 58.000 0.308 0.000 0.979 266 F CB 1.706 40.847 39.000 0.235 0.000 1.137 266 F HN 0.319 nan 8.300 nan 0.000 0.463 267 D N 0.009 120.665 120.400 0.427 0.000 2.609 267 D HA 0.550 5.190 4.640 0.000 0.000 0.239 267 D C 0.425 176.879 176.300 0.257 0.000 1.229 267 D CA 0.380 54.548 54.000 0.281 0.000 0.808 267 D CB 2.134 43.059 40.800 0.209 0.000 1.448 267 D HN 0.627 nan 8.370 nan 0.000 0.433 268 G N 1.819 110.740 108.800 0.203 0.000 2.391 268 G HA2 -0.095 3.865 3.960 0.000 0.000 0.204 268 G HA3 -0.095 3.865 3.960 0.000 0.000 0.204 268 G C -0.064 174.951 174.900 0.190 0.000 1.012 268 G CA 0.553 45.800 45.100 0.245 0.000 0.651 268 G HN 0.785 nan 8.290 nan 0.000 0.494 269 E N 0.005 120.292 120.200 0.146 0.000 2.458 269 E HA 0.615 4.965 4.350 0.000 0.000 0.278 269 E C -0.676 175.933 176.600 0.016 0.000 1.004 269 E CA -0.972 55.477 56.400 0.082 0.000 0.823 269 E CB 1.076 30.838 29.700 0.102 0.000 1.396 269 E HN 0.167 nan 8.360 nan 0.000 0.463 270 E N 0.823 121.015 120.200 -0.014 0.000 2.480 270 E HA 0.057 4.407 4.350 0.000 0.000 0.258 270 E C -1.026 175.562 176.600 -0.020 0.000 0.984 270 E CA -0.232 56.154 56.400 -0.024 0.000 0.930 270 E CB 0.433 30.173 29.700 0.066 0.000 0.936 270 E HN 0.400 nan 8.360 nan 0.000 0.466 271 L N 4.941 126.146 121.223 -0.030 0.000 2.290 271 L HA 0.266 4.606 4.340 0.000 0.000 0.284 271 L C -0.181 176.654 176.870 -0.059 0.000 1.078 271 L CA 0.220 55.006 54.840 -0.091 0.000 0.815 271 L CB 1.406 43.408 42.059 -0.095 0.000 1.162 271 L HN 0.485 nan 8.230 nan 0.000 0.435 272 T N 3.654 118.152 114.554 -0.094 0.000 2.913 272 T HA 0.214 4.564 4.350 0.000 0.000 0.287 272 T C 1.385 176.053 174.700 -0.053 0.000 1.008 272 T CA -0.510 61.556 62.100 -0.056 0.000 1.067 272 T CB 1.582 70.405 68.868 -0.074 0.000 0.996 272 T HN 0.482 nan 8.240 nan 0.000 0.513 273 V N 2.818 122.722 119.914 -0.016 0.000 2.295 273 V HA -0.155 3.966 4.120 0.000 0.000 0.246 273 V C 2.622 178.699 176.094 -0.028 0.000 1.049 273 V CA 1.982 64.281 62.300 -0.002 0.000 1.024 273 V CB -0.725 31.115 31.823 0.028 0.000 0.648 273 V HN 0.915 nan 8.190 nan 0.000 0.447 274 S N -0.261 115.417 115.700 -0.038 0.000 2.359 274 S HA -0.242 4.228 4.470 0.000 0.000 0.224 274 S C 2.089 176.638 174.600 -0.084 0.000 1.035 274 S CA 2.071 60.242 58.200 -0.048 0.000 1.018 274 S CB -0.553 62.619 63.200 -0.047 0.000 0.876 274 S HN 0.689 nan 8.310 nan 0.000 0.448 275 T N 2.398 116.878 114.554 -0.124 0.000 2.665 275 T HA -0.138 4.212 4.350 0.000 0.000 0.268 275 T C 2.116 176.682 174.700 -0.223 0.000 1.035 275 T CA 1.396 63.383 62.100 -0.189 0.000 1.151 275 T CB -0.576 68.140 68.868 -0.254 0.000 0.862 275 T HN 0.493 nan 8.240 nan 0.000 0.438 276 A N 1.485 124.179 122.820 -0.210 0.000 1.933 276 A HA -0.118 4.202 4.320 0.000 0.000 0.218 276 A C 2.264 179.717 177.584 -0.219 0.000 1.175 276 A CA 1.932 53.802 52.037 -0.277 0.000 0.628 276 A CB -0.602 18.287 19.000 -0.185 0.000 0.814 276 A HN 0.483 nan 8.150 nan 0.000 0.444 277 R N 0.144 120.607 120.500 -0.062 0.000 2.082 277 R HA -0.179 4.161 4.340 0.000 0.000 0.234 277 R C 2.096 178.400 176.300 0.007 0.000 1.136 277 R CA 2.057 58.177 56.100 0.033 0.000 0.935 277 R CB -0.344 29.971 30.300 0.024 0.000 0.842 277 R HN 0.507 nan 8.270 nan 0.000 0.430 278 K N 0.618 120.990 120.400 -0.047 0.000 2.063 278 K HA -0.150 4.170 4.320 0.000 0.000 0.208 278 K C 2.230 178.796 176.600 -0.058 0.000 1.048 278 K CA 1.436 57.696 56.287 -0.045 0.000 0.928 278 K CB -0.283 32.181 32.500 -0.059 0.000 0.713 278 K HN 0.235 nan 8.250 nan 0.000 0.442 279 L N 0.111 121.242 121.223 -0.153 0.000 1.990 279 L HA -0.216 4.124 4.340 0.000 0.000 0.213 279 L C 2.331 179.126 176.870 -0.125 0.000 1.072 279 L CA 1.771 56.454 54.840 -0.261 0.000 0.755 279 L CB -0.452 41.290 42.059 -0.528 0.000 0.889 279 L HN 0.147 nan 8.230 nan 0.000 0.432 280 F N 0.454 120.365 119.950 -0.065 0.000 2.365 280 F HA -0.164 4.363 4.527 0.000 0.000 0.300 280 F C 2.467 178.251 175.800 -0.028 0.000 1.090 280 F CA 0.834 58.818 58.000 -0.027 0.000 1.408 280 F CB -0.468 38.515 39.000 -0.029 0.000 1.060 280 F HN 0.193 nan 8.300 nan 0.000 0.534 281 E N -0.398 119.881 120.200 0.131 0.000 2.028 281 E HA -0.126 4.224 4.350 0.000 0.000 0.190 281 E C 2.330 178.912 176.600 -0.030 0.000 0.984 281 E CA 0.635 57.056 56.400 0.035 0.000 0.800 281 E CB 0.000 29.704 29.700 0.006 0.000 0.758 281 E HN 0.072 nan 8.360 nan 0.000 0.448 282 R N -0.134 120.334 120.500 -0.052 0.000 2.127 282 R HA -0.057 4.283 4.340 0.000 0.000 0.238 282 R C 0.221 176.257 176.300 -0.439 0.000 1.134 282 R CA 0.961 56.931 56.100 -0.217 0.000 0.975 282 R CB -0.250 29.965 30.300 -0.143 0.000 0.865 282 R HN 0.158 nan 8.270 nan 0.000 0.447 283 F N -0.598 119.275 119.950 -0.128 0.000 2.959 283 F HA 0.300 4.827 4.527 0.000 0.000 0.379 283 F C -1.813 174.026 175.800 0.066 0.000 1.215 283 F CA -1.969 56.000 58.000 -0.052 0.000 1.190 283 F CB 2.297 41.277 39.000 -0.032 0.000 1.574 283 F HN -0.198 nan 8.300 nan 0.000 0.575 284 P HA -0.061 nan 4.420 nan 0.000 0.223 284 P C 1.344 178.710 177.300 0.110 0.000 1.151 284 P CA 1.136 64.300 63.100 0.106 0.000 0.787 284 P CB 0.428 32.133 31.700 0.009 0.000 0.788 285 S N -1.376 114.405 115.700 0.135 0.000 2.492 285 S HA 0.280 4.750 4.470 0.000 0.000 0.218 285 S C 1.012 175.688 174.600 0.128 0.000 1.016 285 S CA -0.184 58.070 58.200 0.091 0.000 0.916 285 S CB -0.412 62.819 63.200 0.051 0.000 0.791 285 S HN 0.095 nan 8.310 nan 0.000 0.513 286 A N 2.801 125.754 122.820 0.222 0.000 2.531 286 A HA 0.175 4.495 4.320 0.000 0.000 0.236 286 A C 0.258 177.987 177.584 0.241 0.000 1.062 286 A CA 0.249 52.407 52.037 0.202 0.000 0.760 286 A CB 0.168 19.380 19.000 0.354 0.000 0.995 286 A HN 0.262 nan 8.150 nan 0.000 0.501 287 K N 1.968 122.430 120.400 0.104 0.000 2.298 287 K HA 0.416 4.736 4.320 0.000 0.000 0.280 287 K C -0.705 176.046 176.600 0.251 0.000 1.032 287 K CA 0.232 56.630 56.287 0.185 0.000 0.958 287 K CB 0.899 33.484 32.500 0.143 0.000 0.978 287 K HN 0.579 nan 8.250 nan 0.000 0.472 288 I N 4.003 124.710 120.570 0.228 0.000 2.433 288 I HA 0.318 4.488 4.170 0.000 0.000 0.292 288 I C -0.409 175.822 176.117 0.190 0.000 1.001 288 I CA -0.999 60.410 61.300 0.182 0.000 1.119 288 I CB 1.435 39.417 38.000 -0.030 0.000 1.289 288 I HN 0.255 nan 8.210 nan 0.000 0.438 289 I N 4.731 125.429 120.570 0.213 0.000 2.418 289 I HA 0.333 4.504 4.170 0.000 0.000 0.287 289 I C -0.440 175.779 176.117 0.169 0.000 1.008 289 I CA -0.639 60.713 61.300 0.087 0.000 1.104 289 I CB 1.261 39.193 38.000 -0.114 0.000 1.264 289 I HN 0.517 nan 8.210 nan 0.000 0.438 290 N N 4.729 123.510 118.700 0.134 0.000 2.438 290 N HA 0.726 5.466 4.740 0.000 0.000 0.282 290 N C -0.945 174.647 175.510 0.136 0.000 1.037 290 N CA -0.166 52.995 53.050 0.185 0.000 0.942 290 N CB 1.691 40.264 38.487 0.145 0.000 1.136 290 N HN 0.802 nan 8.380 nan 0.000 0.481 291 A N 2.758 125.706 122.820 0.214 0.000 2.454 291 A HA 0.620 4.940 4.320 0.000 0.000 0.302 291 A C -1.902 175.876 177.584 0.323 0.000 1.079 291 A CA -0.596 51.607 52.037 0.276 0.000 0.731 291 A CB 1.034 20.241 19.000 0.344 0.000 1.299 291 A HN 0.698 nan 8.150 nan 0.000 0.413 292 Y N 0.304 120.719 120.300 0.191 0.000 2.534 292 Y HA 0.673 5.223 4.550 0.000 0.000 0.345 292 Y C -0.089 175.881 175.900 0.117 0.000 1.031 292 Y CA 0.265 58.432 58.100 0.112 0.000 1.022 292 Y CB 2.047 40.543 38.460 0.060 0.000 1.292 292 Y HN 1.792 nan 8.280 nan 0.000 0.459 293 G N 4.648 112.839 108.800 -1.015 0.000 2.352 293 G HA2 0.281 4.241 3.960 0.000 0.000 0.303 293 G HA3 0.281 4.241 3.960 0.000 0.000 0.303 293 G C -3.533 171.067 174.900 -0.501 0.000 1.593 293 G CA -1.029 43.506 45.100 -0.943 0.000 0.963 293 G HN 0.475 nan 8.290 nan 0.000 0.685 294 P HA 0.307 nan 4.420 nan 0.000 0.276 294 P C 0.875 178.103 177.300 -0.121 0.000 1.252 294 P CA -0.086 62.955 63.100 -0.099 0.000 0.802 294 P CB 1.259 32.996 31.700 0.062 0.000 1.035 295 T N 0.461 114.981 114.554 -0.057 0.000 2.833 295 T HA -0.129 4.221 4.350 0.000 0.000 0.269 295 T C 1.303 175.928 174.700 -0.125 0.000 1.054 295 T CA 1.641 63.708 62.100 -0.055 0.000 1.135 295 T CB -0.436 68.459 68.868 0.044 0.000 0.869 295 T HN 0.516 nan 8.240 nan 0.000 0.466 296 E N 1.239 121.303 120.200 -0.228 0.000 2.409 296 E HA 0.105 4.455 4.350 0.000 0.000 0.198 296 E C 1.507 177.888 176.600 -0.364 0.000 1.024 296 E CA 0.683 56.829 56.400 -0.423 0.000 0.861 296 E CB -0.090 28.941 29.700 -1.116 0.000 0.788 296 E HN 0.484 nan 8.360 nan 0.000 0.521 297 A N 0.161 122.825 122.820 -0.260 0.000 2.637 297 A HA 0.258 4.578 4.320 0.000 0.000 0.293 297 A C -0.092 177.404 177.584 -0.147 0.000 1.216 297 A CA -0.211 51.729 52.037 -0.162 0.000 0.956 297 A CB -0.247 18.694 19.000 -0.099 0.000 1.174 297 A HN 0.002 nan 8.150 nan 0.000 0.525 298 T N -0.663 113.785 114.554 -0.177 0.000 3.645 298 T HA -0.158 4.192 4.350 0.000 0.000 0.400 298 T C 0.967 175.439 174.700 -0.379 0.000 0.764 298 T CA 0.757 62.723 62.100 -0.223 0.000 2.104 298 T CB -2.478 66.299 68.868 -0.151 0.000 1.737 298 T HN 1.527 nan 8.240 nan 0.000 0.763 299 V N -3.683 116.018 119.914 -0.355 0.000 0.535 299 V HA -0.265 3.855 4.120 0.000 0.000 0.092 299 V C 0.859 176.816 176.094 -0.229 0.000 2.149 299 V CA 1.773 63.803 62.300 -0.449 0.000 3.532 299 V CB -1.682 29.535 31.823 -1.011 0.000 0.823 299 V HN 2.315 nan 8.190 nan 0.000 0.859 300 A N -0.720 122.062 122.820 -0.064 0.000 2.574 300 A HA 0.865 5.186 4.320 0.000 0.000 0.297 300 A C -0.479 177.190 177.584 0.142 0.000 1.062 300 A CA 0.090 52.226 52.037 0.166 0.000 0.686 300 A CB 1.962 21.259 19.000 0.494 0.000 1.285 300 A HN 1.641 nan 8.150 nan 0.000 0.403 301 L N -0.323 120.908 121.223 0.014 0.000 2.878 301 L HA 0.511 4.851 4.340 0.000 0.000 0.253 301 L C 0.376 177.139 176.870 -0.177 0.000 1.135 301 L CA 0.724 55.454 54.840 -0.183 0.000 0.943 301 L CB 0.048 42.057 42.059 -0.083 0.000 1.307 301 L HN 0.810 nan 8.230 nan 0.000 0.545 302 S N -0.460 115.343 115.700 0.172 0.000 2.546 302 S HA 0.963 5.433 4.470 0.000 0.000 0.274 302 S C -0.578 174.334 174.600 0.521 0.000 1.121 302 S CA -0.008 58.372 58.200 0.301 0.000 0.887 302 S CB 2.285 65.631 63.200 0.245 0.000 1.094 302 S HN 0.644 nan 8.310 nan 0.000 0.474 303 A N 1.546 124.685 122.820 0.532 0.000 2.593 303 A HA 0.942 5.262 4.320 0.000 0.000 0.290 303 A C -1.340 176.343 177.584 0.164 0.000 1.126 303 A CA -0.838 51.353 52.037 0.257 0.000 0.695 303 A CB 1.367 20.344 19.000 -0.040 0.000 1.290 303 A HN 1.534 nan 8.150 nan 0.000 0.414 304 I N -0.368 120.221 120.570 0.031 0.000 2.785 304 I HA 0.313 4.483 4.170 0.000 0.000 0.293 304 I C -0.893 175.248 176.117 0.040 0.000 1.446 304 I CA -0.253 61.093 61.300 0.077 0.000 1.028 304 I CB 1.888 39.876 38.000 -0.020 0.000 1.349 304 I HN 0.895 nan 8.210 nan 0.000 0.438 305 E N 6.463 126.716 120.200 0.088 0.000 2.313 305 E HA 0.308 4.658 4.350 0.000 0.000 0.276 305 E C -0.984 175.693 176.600 0.128 0.000 1.031 305 E CA -0.650 55.809 56.400 0.098 0.000 0.857 305 E CB 0.943 30.710 29.700 0.112 0.000 1.040 305 E HN 0.329 nan 8.360 nan 0.000 0.408 306 I N 4.169 124.829 120.570 0.150 0.000 2.365 306 I HA 0.113 4.283 4.170 0.000 0.000 0.291 306 I C 0.780 177.055 176.117 0.262 0.000 1.004 306 I CA -0.142 61.258 61.300 0.167 0.000 1.311 306 I CB 0.744 38.821 38.000 0.129 0.000 1.401 306 I HN 0.560 nan 8.210 nan 0.000 0.491 307 T N 3.869 118.533 114.554 0.183 0.000 2.950 307 T HA 0.470 4.820 4.350 0.000 0.000 0.288 307 T C 1.289 176.040 174.700 0.086 0.000 1.035 307 T CA -0.901 61.273 62.100 0.124 0.000 1.028 307 T CB 1.975 70.850 68.868 0.012 0.000 1.109 307 T HN 0.581 nan 8.240 nan 0.000 0.514 308 R N 0.996 121.417 120.500 -0.131 0.000 2.096 308 R HA -0.104 4.236 4.340 0.000 0.000 0.235 308 R C 1.546 177.779 176.300 -0.113 0.000 1.127 308 R CA 1.313 57.316 56.100 -0.161 0.000 0.968 308 R CB -0.996 29.120 30.300 -0.306 0.000 0.861 308 R HN 0.665 nan 8.270 nan 0.000 0.440 309 E N 1.112 121.233 120.200 -0.131 0.000 2.097 309 E HA -0.146 4.204 4.350 0.000 0.000 0.196 309 E C 2.044 178.481 176.600 -0.271 0.000 1.000 309 E CA 1.579 57.883 56.400 -0.161 0.000 0.804 309 E CB -0.268 29.346 29.700 -0.143 0.000 0.740 309 E HN 0.261 nan 8.360 nan 0.000 0.454 310 M N -0.544 118.859 119.600 -0.328 0.000 2.117 310 M HA -0.159 4.321 4.480 0.000 0.000 0.262 310 M C 1.903 178.040 176.300 -0.273 0.000 1.065 310 M CA 1.100 56.059 55.300 -0.568 0.000 1.114 310 M CB 0.101 32.517 32.600 -0.307 0.000 1.361 310 M HN 0.034 nan 8.290 nan 0.000 0.408 311 V N 0.130 120.003 119.914 -0.068 0.000 2.515 311 V HA -0.253 3.867 4.120 0.000 0.000 0.250 311 V C 1.521 177.607 176.094 -0.013 0.000 1.058 311 V CA 1.656 63.965 62.300 0.016 0.000 1.064 311 V CB -0.768 31.132 31.823 0.127 0.000 0.675 311 V HN 0.426 nan 8.190 nan 0.000 0.461 312 D N -0.085 120.284 120.400 -0.053 0.000 2.224 312 D HA -0.068 4.572 4.640 0.000 0.000 0.205 312 D C 1.732 178.009 176.300 -0.039 0.000 0.965 312 D CA 1.065 55.039 54.000 -0.043 0.000 0.852 312 D CB 0.007 40.774 40.800 -0.054 0.000 0.947 312 D HN 0.473 nan 8.370 nan 0.000 0.494 313 N N -1.344 117.315 118.700 -0.067 0.000 2.672 313 N HA -0.007 4.733 4.740 0.000 0.000 0.229 313 N C -0.099 175.494 175.510 0.139 0.000 1.043 313 N CA -0.059 52.994 53.050 0.005 0.000 0.932 313 N CB 0.067 38.550 38.487 -0.006 0.000 1.500 313 N HN -0.024 nan 8.380 nan 0.000 0.445 314 Y N 1.305 121.599 120.300 -0.011 0.000 2.652 314 Y HA 0.004 4.554 4.550 0.000 0.000 0.344 314 Y C 2.076 177.958 175.900 -0.030 0.000 1.254 314 Y CA -0.142 57.948 58.100 -0.016 0.000 1.480 314 Y CB -0.035 38.424 38.460 -0.001 0.000 1.345 314 Y HN 0.140 nan 8.280 nan 0.000 0.617 315 T N -1.181 113.441 114.554 0.113 0.000 3.014 315 T HA 0.297 4.647 4.350 0.000 0.000 0.250 315 T C 0.499 175.223 174.700 0.040 0.000 1.060 315 T CA -0.084 62.037 62.100 0.034 0.000 1.040 315 T CB 0.425 69.275 68.868 -0.030 0.000 0.971 315 T HN 0.434 nan 8.240 nan 0.000 0.497 316 R N 0.597 121.125 120.500 0.046 0.000 2.673 316 R HA 0.541 4.881 4.340 0.000 0.000 0.281 316 R C -1.147 175.204 176.300 0.084 0.000 0.991 316 R CA -0.737 55.393 56.100 0.050 0.000 0.896 316 R CB 2.227 32.538 30.300 0.019 0.000 1.201 316 R HN 0.257 nan 8.270 nan 0.000 0.457 317 L N 4.515 125.804 121.223 0.111 0.000 2.349 317 L HA 0.353 4.693 4.340 0.000 0.000 0.275 317 L C -1.634 175.291 176.870 0.092 0.000 1.115 317 L CA -1.705 53.225 54.840 0.151 0.000 0.820 317 L CB 0.999 43.126 42.059 0.114 0.000 1.135 317 L HN 0.282 nan 8.230 nan 0.000 0.445 318 P HA 0.114 nan 4.420 nan 0.000 0.274 318 P C 0.277 177.585 177.300 0.013 0.000 1.246 318 P CA -0.245 62.860 63.100 0.009 0.000 0.795 318 P CB 1.056 32.748 31.700 -0.012 0.000 1.006 319 I N -3.506 117.048 120.570 -0.027 0.000 4.018 319 I HA 0.490 4.660 4.170 0.000 0.000 0.337 319 I C 0.815 176.938 176.117 0.010 0.000 1.327 319 I CA -0.155 61.139 61.300 -0.011 0.000 1.100 319 I CB -0.104 37.837 38.000 -0.097 0.000 1.025 319 I HN 0.571 nan 8.210 nan 0.000 0.396 320 G N 0.934 109.690 108.800 -0.074 0.000 2.422 320 G HA2 -0.121 3.839 3.960 0.000 0.000 0.607 320 G HA3 -0.121 3.839 3.960 0.000 0.000 0.607 320 G C -1.215 173.584 174.900 -0.168 0.000 1.270 320 G CA -0.908 44.110 45.100 -0.137 0.000 0.992 320 G HN 0.171 nan 8.290 nan 0.000 0.499 321 Y N 1.146 121.524 120.300 0.131 0.000 2.436 321 Y HA 0.445 4.995 4.550 0.000 0.000 0.336 321 Y C -1.462 174.517 175.900 0.133 0.000 1.049 321 Y CA -1.221 56.953 58.100 0.124 0.000 1.294 321 Y CB 0.414 38.959 38.460 0.143 0.000 1.179 321 Y HN 0.324 nan 8.280 nan 0.000 0.520 322 P HA -0.009 nan 4.420 nan 0.000 0.269 322 P C -0.750 176.530 177.300 -0.034 0.000 1.217 322 P CA -0.462 62.654 63.100 0.026 0.000 0.783 322 P CB 0.543 32.230 31.700 -0.021 0.000 0.898 323 K N 2.031 122.256 120.400 -0.291 0.000 2.143 323 K HA 0.323 4.643 4.320 0.000 0.000 0.272 323 K C -2.217 174.264 176.600 -0.198 0.000 1.001 323 K CA -1.836 54.197 56.287 -0.423 0.000 0.915 323 K CB 0.113 31.871 32.500 -1.236 0.000 1.047 323 K HN 0.115 nan 8.250 nan 0.000 0.458 324 P HA -0.266 nan 4.420 nan 0.000 0.218 324 P C 0.465 177.734 177.300 -0.051 0.000 1.154 324 P CA 1.860 64.944 63.100 -0.027 0.000 0.872 324 P CB -0.007 31.709 31.700 0.027 0.000 0.790 325 D N -2.556 117.798 120.400 -0.077 0.000 2.339 325 D HA 0.024 4.664 4.640 0.000 0.000 0.217 325 D C -0.146 176.109 176.300 -0.076 0.000 1.050 325 D CA 0.210 54.175 54.000 -0.057 0.000 0.856 325 D CB -0.479 40.299 40.800 -0.038 0.000 0.922 325 D HN -0.069 nan 8.370 nan 0.000 0.518 326 S N 1.652 117.280 115.700 -0.119 0.000 2.060 326 S HA 0.332 4.803 4.470 0.000 0.000 0.156 326 S C -2.657 171.862 174.600 -0.136 0.000 1.690 326 S CA -1.025 57.103 58.200 -0.121 0.000 1.238 326 S CB 1.203 64.300 63.200 -0.172 0.000 1.150 326 S HN 0.074 nan 8.310 nan 0.000 0.437 327 P HA 0.090 nan 4.420 nan 0.000 0.262 327 P C -0.391 176.669 177.300 -0.401 0.000 1.182 327 P CA 0.431 63.382 63.100 -0.249 0.000 0.761 327 P CB 0.314 31.952 31.700 -0.103 0.000 0.795 328 T N 3.598 117.811 114.554 -0.569 0.000 2.841 328 T HA 0.585 4.935 4.350 0.000 0.000 0.283 328 T C -0.793 173.555 174.700 -0.586 0.000 1.000 328 T CA -0.162 61.687 62.100 -0.418 0.000 0.977 328 T CB 0.627 69.396 68.868 -0.164 0.000 0.979 328 T HN 0.137 nan 8.240 nan 0.000 0.446 329 Y N 1.131 121.417 120.300 -0.024 0.000 2.553 329 Y HA 0.585 5.135 4.550 0.000 0.000 0.347 329 Y C -0.269 175.599 175.900 -0.053 0.000 1.019 329 Y CA -1.569 56.510 58.100 -0.034 0.000 1.032 329 Y CB 1.262 39.674 38.460 -0.081 0.000 1.284 329 Y HN 0.374 nan 8.280 nan 0.000 0.466 330 I N 4.872 125.533 120.570 0.151 0.000 2.336 330 I HA 0.480 4.650 4.170 0.000 0.000 0.292 330 I C -0.163 175.987 176.117 0.054 0.000 0.991 330 I CA -0.730 60.611 61.300 0.069 0.000 1.227 330 I CB 0.811 38.841 38.000 0.049 0.000 1.366 330 I HN 0.606 nan 8.210 nan 0.000 0.466 331 I N 2.279 122.860 120.570 0.018 0.000 2.828 331 I HA 0.631 4.801 4.170 0.000 0.000 0.302 331 I C -0.711 175.408 176.117 0.003 0.000 1.101 331 I CA -0.899 60.406 61.300 0.009 0.000 1.031 331 I CB 2.376 40.362 38.000 -0.023 0.000 1.231 331 I HN 0.509 nan 8.210 nan 0.000 0.427 332 D N 2.209 122.613 120.400 0.007 0.000 2.451 332 D HA 0.172 4.812 4.640 0.000 0.000 0.259 332 D C 0.410 176.698 176.300 -0.020 0.000 1.201 332 D CA -0.443 53.554 54.000 -0.005 0.000 1.028 332 D CB 0.636 41.437 40.800 0.002 0.000 1.095 332 D HN 0.699 nan 8.370 nan 0.000 0.539 333 E N -1.003 119.179 120.200 -0.030 0.000 2.401 333 E HA -0.094 4.256 4.350 0.000 0.000 0.199 333 E C 0.101 176.673 176.600 -0.047 0.000 1.023 333 E CA 0.758 57.128 56.400 -0.049 0.000 0.859 333 E CB -0.172 29.500 29.700 -0.046 0.000 0.780 333 E HN 0.403 nan 8.360 nan 0.000 0.523 334 D N -0.269 120.116 120.400 -0.025 0.000 2.424 334 D HA 0.103 4.744 4.640 0.000 0.000 0.220 334 D C 0.922 177.224 176.300 0.004 0.000 1.150 334 D CA 0.380 54.370 54.000 -0.016 0.000 0.831 334 D CB 0.855 41.651 40.800 -0.006 0.000 0.981 334 D HN 0.244 nan 8.370 nan 0.000 0.500 335 G N 1.378 110.181 108.800 0.004 0.000 2.160 335 G HA2 -0.296 3.665 3.960 0.000 0.000 0.251 335 G HA3 -0.296 3.665 3.960 0.000 0.000 0.251 335 G C 0.397 175.363 174.900 0.110 0.000 1.008 335 G CA 0.490 45.617 45.100 0.044 0.000 0.724 335 G HN 0.327 nan 8.290 nan 0.000 0.514 336 K N 0.182 120.628 120.400 0.076 0.000 2.156 336 K HA 0.535 4.855 4.320 0.000 0.000 0.271 336 K C 0.469 177.125 176.600 0.094 0.000 0.995 336 K CA -0.085 56.258 56.287 0.094 0.000 0.890 336 K CB 1.339 33.872 32.500 0.055 0.000 1.073 336 K HN 0.512 nan 8.250 nan 0.000 0.454 337 E N 3.518 123.795 120.200 0.129 0.000 2.324 337 E HA 0.142 4.492 4.350 0.000 0.000 0.271 337 E C -0.446 176.206 176.600 0.087 0.000 1.028 337 E CA -0.179 56.292 56.400 0.120 0.000 0.890 337 E CB 0.376 30.166 29.700 0.150 0.000 1.004 337 E HN 0.499 nan 8.360 nan 0.000 0.431 338 L N 2.878 124.149 121.223 0.080 0.000 2.399 338 L HA 0.298 4.638 4.340 0.000 0.000 0.265 338 L C 0.630 177.545 176.870 0.075 0.000 1.089 338 L CA -0.679 54.198 54.840 0.063 0.000 0.802 338 L CB 1.467 43.553 42.059 0.046 0.000 1.180 338 L HN 0.479 nan 8.230 nan 0.000 0.454 339 S N 0.305 116.040 115.700 0.058 0.000 2.672 339 S HA 0.322 4.792 4.470 0.000 0.000 0.276 339 S C 0.158 174.786 174.600 0.047 0.000 1.207 339 S CA -0.622 57.613 58.200 0.058 0.000 1.002 339 S CB 1.189 64.417 63.200 0.047 0.000 0.998 339 S HN 0.712 nan 8.310 nan 0.000 0.542 340 S N 1.578 117.305 115.700 0.045 0.000 2.553 340 S HA 0.362 4.832 4.470 0.000 0.000 0.293 340 S C 1.417 176.029 174.600 0.020 0.000 1.296 340 S CA 0.222 58.442 58.200 0.032 0.000 1.046 340 S CB -0.569 62.649 63.200 0.031 0.000 0.810 340 S HN 2.310 nan 8.310 nan 0.000 0.505 341 G N 1.765 110.570 108.800 0.008 0.000 2.320 341 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 341 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 341 G C -0.115 174.784 174.900 -0.002 0.000 1.033 341 G CA 0.322 45.421 45.100 -0.001 0.000 0.620 341 G HN 0.891 nan 8.290 nan 0.000 0.517 342 E N 1.029 121.233 120.200 0.007 0.000 2.390 342 E HA 0.480 4.830 4.350 0.000 0.000 0.261 342 E C 0.421 177.021 176.600 -0.001 0.000 1.076 342 E CA -0.049 56.355 56.400 0.006 0.000 0.905 342 E CB 0.479 30.188 29.700 0.014 0.000 0.984 342 E HN 0.449 nan 8.360 nan 0.000 0.427 343 Q N 0.608 120.404 119.800 -0.006 0.000 2.241 343 Q HA 0.554 4.894 4.340 0.000 0.000 0.254 343 Q C -0.230 175.763 176.000 -0.012 0.000 0.917 343 Q CA -0.460 55.334 55.803 -0.015 0.000 0.919 343 Q CB 1.887 30.613 28.738 -0.021 0.000 1.237 343 Q HN 0.689 nan 8.270 nan 0.000 0.434 344 G N 1.245 110.035 108.800 -0.016 0.000 2.490 344 G HA2 0.100 4.060 3.960 0.000 0.000 0.308 344 G HA3 0.100 4.060 3.960 0.000 0.000 0.308 344 G C -1.544 173.345 174.900 -0.018 0.000 1.286 344 G CA -0.772 44.318 45.100 -0.016 0.000 0.825 344 G HN 0.559 nan 8.290 nan 0.000 0.479 345 E N -0.475 119.716 120.200 -0.014 0.000 2.413 345 E HA 0.241 4.591 4.350 0.000 0.000 0.263 345 E C -0.125 176.484 176.600 0.016 0.000 1.015 345 E CA -0.162 56.235 56.400 -0.005 0.000 0.916 345 E CB 0.459 30.157 29.700 -0.004 0.000 0.947 345 E HN 0.264 nan 8.360 nan 0.000 0.440 346 I N 6.328 126.920 120.570 0.037 0.000 2.352 346 I HA 0.197 4.367 4.170 0.000 0.000 0.290 346 I C 0.269 176.424 176.117 0.062 0.000 1.036 346 I CA -0.269 61.068 61.300 0.062 0.000 1.336 346 I CB 0.319 38.383 38.000 0.107 0.000 1.407 346 I HN 0.408 nan 8.210 nan 0.000 0.497 347 I N 5.405 125.997 120.570 0.037 0.000 2.603 347 I HA 0.773 4.943 4.170 0.000 0.000 0.300 347 I C -1.101 175.033 176.117 0.028 0.000 1.017 347 I CA -0.756 60.548 61.300 0.008 0.000 1.098 347 I CB 2.206 40.173 38.000 -0.056 0.000 1.279 347 I HN 0.329 nan 8.210 nan 0.000 0.437 348 V N 4.432 124.368 119.914 0.038 0.000 2.864 348 V HA 0.832 4.952 4.120 0.000 0.000 0.314 348 V C -0.204 175.902 176.094 0.020 0.000 1.073 348 V CA 0.324 62.645 62.300 0.034 0.000 0.956 348 V CB 2.444 34.305 31.823 0.063 0.000 1.023 348 V HN 1.111 nan 8.190 nan 0.000 0.435 349 T N 1.734 116.299 114.554 0.018 0.000 2.883 349 T HA 0.963 5.313 4.350 0.000 0.000 0.296 349 T C -0.025 174.678 174.700 0.006 0.000 1.117 349 T CA 0.016 62.132 62.100 0.027 0.000 1.006 349 T CB 1.456 70.405 68.868 0.135 0.000 1.191 349 T HN 2.348 nan 8.240 nan 0.000 0.508 350 G N 1.507 110.307 108.800 -0.000 0.000 2.422 350 G HA2 0.088 4.048 3.960 0.000 0.000 0.607 350 G HA3 0.088 4.048 3.960 0.000 0.000 0.607 350 G C -2.420 172.464 174.900 -0.026 0.000 1.270 350 G CA -0.261 44.832 45.100 -0.013 0.000 0.992 350 G HN 0.721 nan 8.290 nan 0.000 0.499 351 P HA 0.171 nan 4.420 nan 0.000 0.239 351 P C 0.972 178.249 177.300 -0.038 0.000 1.184 351 P CA 1.770 64.852 63.100 -0.031 0.000 0.760 351 P CB 0.141 31.827 31.700 -0.022 0.000 0.884 352 A N -0.700 122.094 122.820 -0.044 0.000 2.470 352 A HA 0.278 4.598 4.320 0.000 0.000 0.251 352 A C 0.613 178.154 177.584 -0.072 0.000 1.245 352 A CA -0.064 51.941 52.037 -0.053 0.000 0.932 352 A CB 0.180 19.156 19.000 -0.039 0.000 1.037 352 A HN 0.000 nan 8.150 nan 0.000 0.522 353 V N 1.785 121.666 119.914 -0.055 0.000 2.455 353 V HA 0.229 4.349 4.120 0.000 0.000 0.273 353 V C 1.026 177.074 176.094 -0.078 0.000 1.045 353 V CA -0.090 62.191 62.300 -0.031 0.000 0.976 353 V CB 1.083 32.923 31.823 0.029 0.000 0.993 353 V HN 0.505 nan 8.190 nan 0.000 0.475 354 S N 4.556 120.189 115.700 -0.111 0.000 2.558 354 S HA 0.013 4.483 4.470 0.000 0.000 0.288 354 S C 1.399 175.750 174.600 -0.416 0.000 1.318 354 S CA -0.005 58.048 58.200 -0.244 0.000 1.056 354 S CB 0.346 63.389 63.200 -0.263 0.000 0.853 354 S HN 0.900 nan 8.310 nan 0.000 0.505 355 K N 3.077 123.242 120.400 -0.392 0.000 2.589 355 K HA 0.205 4.525 4.320 0.000 0.000 0.195 355 K C 0.955 177.121 176.600 -0.722 0.000 1.040 355 K CA 0.546 56.568 56.287 -0.442 0.000 0.950 355 K CB -0.937 31.400 32.500 -0.271 0.000 0.781 355 K HN 1.005 nan 8.250 nan 0.000 0.486 356 G N -0.087 108.072 108.800 -1.067 0.000 2.423 356 G HA2 -0.122 3.838 3.960 0.000 0.000 0.684 356 G HA3 -0.122 3.838 3.960 0.000 0.000 0.684 356 G C -1.461 173.061 174.900 -0.630 0.000 1.309 356 G CA -0.916 43.407 45.100 -1.295 0.000 0.950 356 G HN 0.127 nan 8.290 nan 0.000 0.587 357 Y N -0.629 119.585 120.300 -0.143 0.000 2.425 357 Y HA 0.468 5.018 4.550 0.000 0.000 0.331 357 Y C 1.135 176.980 175.900 -0.092 0.000 1.157 357 Y CA -0.587 57.469 58.100 -0.072 0.000 1.372 357 Y CB 0.952 39.435 38.460 0.038 0.000 1.253 357 Y HN 0.617 nan 8.280 nan 0.000 0.536 358 L N 5.256 126.512 121.223 0.055 0.000 2.418 358 L HA 0.177 4.517 4.340 0.000 0.000 0.274 358 L C 0.304 177.221 176.870 0.078 0.000 1.135 358 L CA 0.095 54.951 54.840 0.027 0.000 0.870 358 L CB -0.364 41.700 42.059 0.008 0.000 1.154 358 L HN 0.741 nan 8.230 nan 0.000 0.462 359 N N 2.637 121.376 118.700 0.066 0.000 2.714 359 N HA -0.267 4.473 4.740 0.000 0.000 0.250 359 N C -0.429 175.138 175.510 0.094 0.000 1.117 359 N CA 0.991 54.087 53.050 0.075 0.000 0.719 359 N CB -1.371 37.165 38.487 0.081 0.000 1.081 359 N HN 0.737 nan 8.380 nan 0.000 0.557 360 N N 0.083 118.855 118.700 0.121 0.000 2.791 360 N HA 0.224 4.964 4.740 0.000 0.000 0.265 360 N C -1.779 173.831 175.510 0.166 0.000 1.580 360 N CA -1.567 51.567 53.050 0.140 0.000 0.809 360 N CB 0.976 39.552 38.487 0.147 0.000 1.178 360 N HN -0.032 nan 8.380 nan 0.000 0.499 361 P HA -0.087 nan 4.420 nan 0.000 0.221 361 P C 1.043 178.424 177.300 0.136 0.000 1.150 361 P CA 0.809 63.975 63.100 0.110 0.000 0.800 361 P CB 0.792 32.535 31.700 0.073 0.000 0.787 362 E N 0.523 120.799 120.200 0.127 0.000 2.051 362 E HA -0.174 4.176 4.350 0.000 0.000 0.192 362 E C 1.811 178.515 176.600 0.174 0.000 0.991 362 E CA 1.104 57.578 56.400 0.123 0.000 0.799 362 E CB -0.006 29.747 29.700 0.088 0.000 0.748 362 E HN 0.003 nan 8.360 nan 0.000 0.449 363 K N -0.036 120.499 120.400 0.225 0.000 2.155 363 K HA -0.027 4.294 4.320 0.000 0.000 0.203 363 K C 2.162 179.076 176.600 0.523 0.000 1.052 363 K CA 1.046 57.520 56.287 0.311 0.000 0.948 363 K CB -0.456 32.173 32.500 0.216 0.000 0.728 363 K HN 0.151 nan 8.250 nan 0.000 0.448 364 T N 1.449 116.319 114.554 0.526 0.000 2.720 364 T HA -0.143 4.207 4.350 0.000 0.000 0.268 364 T C 1.915 176.870 174.700 0.426 0.000 1.037 364 T CA 1.609 63.994 62.100 0.476 0.000 1.144 364 T CB -0.120 68.869 68.868 0.202 0.000 0.864 364 T HN 0.317 nan 8.240 nan 0.000 0.444 365 A N 0.946 123.933 122.820 0.279 0.000 1.970 365 A HA 0.030 4.350 4.320 0.000 0.000 0.216 365 A C 2.158 179.867 177.584 0.207 0.000 1.170 365 A CA 1.139 53.309 52.037 0.221 0.000 0.645 365 A CB -0.373 18.715 19.000 0.147 0.000 0.816 365 A HN 0.504 nan 8.150 nan 0.000 0.447 366 E N -0.386 119.926 120.200 0.187 0.000 2.077 366 E HA -0.110 4.240 4.350 0.000 0.000 0.193 366 E C 2.049 178.735 176.600 0.143 0.000 0.989 366 E CA 1.286 57.756 56.400 0.117 0.000 0.800 366 E CB -0.135 29.619 29.700 0.090 0.000 0.746 366 E HN 0.613 nan 8.360 nan 0.000 0.452 367 A N -0.352 122.592 122.820 0.208 0.000 2.085 367 A HA 0.182 4.502 4.320 0.000 0.000 0.208 367 A C 0.289 177.865 177.584 -0.014 0.000 1.191 367 A CA -0.059 52.012 52.037 0.057 0.000 0.799 367 A CB 0.327 19.324 19.000 -0.005 0.000 0.877 367 A HN 0.067 nan 8.150 nan 0.000 0.473 368 F N 0.150 120.300 119.950 0.333 0.000 2.443 368 F HA 0.623 5.150 4.527 0.000 0.000 0.335 368 F C -0.103 175.914 175.800 0.361 0.000 1.104 368 F CA -0.993 57.182 58.000 0.292 0.000 1.013 368 F CB 1.285 40.349 39.000 0.106 0.000 1.136 368 F HN 0.322 nan 8.300 nan 0.000 0.470 369 F N -1.710 118.346 119.950 0.177 0.000 3.052 369 F HA 0.759 5.286 4.527 0.000 0.000 0.323 369 F C -1.405 174.458 175.800 0.105 0.000 1.178 369 F CA -1.116 56.953 58.000 0.115 0.000 0.892 369 F CB 1.279 40.327 39.000 0.080 0.000 1.416 369 F HN 0.176 nan 8.300 nan 0.000 0.488 370 T N 1.637 116.185 114.554 -0.010 0.000 2.823 370 T HA 0.599 4.949 4.350 0.000 0.000 0.279 370 T C -1.929 172.749 174.700 -0.038 0.000 0.998 370 T CA -0.263 61.774 62.100 -0.105 0.000 0.994 370 T CB 1.413 70.290 68.868 0.014 0.000 0.960 370 T HN 0.595 nan 8.240 nan 0.000 0.448 371 F N 2.642 122.416 119.950 -0.293 0.000 2.585 371 F HA 0.506 5.033 4.527 0.000 0.000 0.319 371 F C 0.370 176.098 175.800 -0.121 0.000 1.165 371 F CA -1.003 56.892 58.000 -0.174 0.000 0.949 371 F CB 1.377 40.222 39.000 -0.257 0.000 1.218 371 F HN 0.613 nan 8.300 nan 0.000 0.453 372 K N 4.382 124.394 120.400 -0.647 0.000 3.069 372 K HA -0.152 4.168 4.320 0.000 0.000 0.267 372 K C 0.722 177.214 176.600 -0.180 0.000 1.082 372 K CA 1.217 57.221 56.287 -0.471 0.000 0.782 372 K CB -1.362 30.849 32.500 -0.482 0.000 1.230 372 K HN 1.670 nan 8.250 nan 0.000 0.488 373 G N -1.162 107.559 108.800 -0.131 0.000 2.159 373 G HA2 -0.341 3.619 3.960 0.000 0.000 0.256 373 G HA3 -0.341 3.619 3.960 0.000 0.000 0.256 373 G C -0.220 174.657 174.900 -0.040 0.000 0.977 373 G CA 0.556 45.615 45.100 -0.068 0.000 0.652 373 G HN 0.439 nan 8.290 nan 0.000 0.531 374 Q N 0.227 120.007 119.800 -0.033 0.000 2.372 374 Q HA 0.619 4.959 4.340 0.000 0.000 0.273 374 Q C -2.595 173.379 176.000 -0.044 0.000 1.078 374 Q CA -2.146 53.648 55.803 -0.015 0.000 0.806 374 Q CB 2.788 31.543 28.738 0.029 0.000 1.332 374 Q HN 0.111 nan 8.270 nan 0.000 0.435 375 P HA 0.163 nan 4.420 nan 0.000 0.264 375 P C -1.426 175.815 177.300 -0.097 0.000 1.193 375 P CA 0.274 63.336 63.100 -0.063 0.000 0.763 375 P CB 0.697 32.376 31.700 -0.036 0.000 0.810 376 A N 3.628 126.312 122.820 -0.226 0.000 2.479 376 A HA 0.710 5.030 4.320 0.000 0.000 0.296 376 A C -1.880 175.591 177.584 -0.189 0.000 1.121 376 A CA -0.590 51.227 52.037 -0.366 0.000 0.743 376 A CB 1.621 20.073 19.000 -0.913 0.000 1.323 376 A HN 0.494 nan 8.150 nan 0.000 0.415 377 Y N 1.135 121.289 120.300 -0.243 0.000 2.421 377 Y HA 0.462 5.012 4.550 0.000 0.000 0.339 377 Y C -0.686 175.164 175.900 -0.083 0.000 0.996 377 Y CA -0.770 57.209 58.100 -0.202 0.000 1.046 377 Y CB 1.374 39.697 38.460 -0.227 0.000 1.226 377 Y HN 0.740 nan 8.280 nan 0.000 0.445 378 H N 4.721 123.415 119.070 -0.628 0.000 2.944 378 H HA 0.084 4.640 4.556 0.000 0.000 0.278 378 H C 1.191 175.947 175.328 -0.954 0.000 1.083 378 H CA 1.046 56.756 56.048 -0.563 0.000 1.479 378 H CB 1.131 30.643 29.762 -0.417 0.000 1.486 378 H HN 0.878 nan 8.280 nan 0.000 0.493 379 T N -0.251 114.089 114.554 -0.356 0.000 3.035 379 T HA -0.021 4.329 4.350 0.000 0.000 0.268 379 T C 1.786 176.464 174.700 -0.037 0.000 1.109 379 T CA 0.674 62.697 62.100 -0.130 0.000 1.119 379 T CB 0.054 69.025 68.868 0.172 0.000 0.900 379 T HN 0.790 nan 8.240 nan 0.000 0.503 380 G N 1.270 110.026 108.800 -0.073 0.000 2.184 380 G HA2 -0.221 3.739 3.960 0.000 0.000 0.264 380 G HA3 -0.221 3.739 3.960 0.000 0.000 0.264 380 G C -0.277 174.621 174.900 -0.004 0.000 0.975 380 G CA 0.282 45.350 45.100 -0.053 0.000 0.642 380 G HN 0.631 nan 8.290 nan 0.000 0.536 381 D N 0.132 120.576 120.400 0.074 0.000 2.175 381 D HA 0.547 5.187 4.640 0.000 0.000 0.248 381 D C 0.662 176.970 176.300 0.013 0.000 1.047 381 D CA -0.284 53.781 54.000 0.108 0.000 0.883 381 D CB 1.496 42.486 40.800 0.317 0.000 1.180 381 D HN 0.245 nan 8.370 nan 0.000 0.438 382 I N 1.142 121.667 120.570 -0.074 0.000 2.365 382 I HA 0.477 4.647 4.170 0.000 0.000 0.291 382 I C 1.057 177.077 176.117 -0.161 0.000 1.004 382 I CA 0.083 61.322 61.300 -0.103 0.000 1.311 382 I CB 1.507 39.436 38.000 -0.118 0.000 1.401 382 I HN 0.355 nan 8.210 nan 0.000 0.491 383 G N 3.421 112.160 108.800 -0.100 0.000 2.706 383 G HA2 0.736 4.696 3.960 0.000 0.000 0.307 383 G HA3 0.736 4.696 3.960 0.000 0.000 0.307 383 G C -1.505 173.356 174.900 -0.066 0.000 1.307 383 G CA -0.355 44.683 45.100 -0.104 0.000 0.790 383 G HN 0.639 nan 8.290 nan 0.000 0.503 384 S N -1.637 114.026 115.700 -0.060 0.000 2.570 384 S HA 0.731 5.201 4.470 0.000 0.000 0.270 384 S C -1.872 172.705 174.600 -0.038 0.000 1.149 384 S CA -0.678 57.498 58.200 -0.039 0.000 0.837 384 S CB 1.982 65.159 63.200 -0.040 0.000 1.124 384 S HN 1.180 nan 8.310 nan 0.000 0.465 385 L N 2.374 123.586 121.223 -0.018 0.000 2.346 385 L HA 0.743 5.083 4.340 0.000 0.000 0.276 385 L C 0.353 177.218 176.870 -0.007 0.000 1.006 385 L CA 0.148 54.979 54.840 -0.015 0.000 0.817 385 L CB 2.016 44.075 42.059 0.001 0.000 1.272 385 L HN 1.112 nan 8.230 nan 0.000 0.421 386 T N -0.174 114.372 114.554 -0.013 0.000 2.847 386 T HA 0.290 4.640 4.350 0.000 0.000 0.279 386 T C 0.886 175.598 174.700 0.021 0.000 0.984 386 T CA -0.570 61.527 62.100 -0.004 0.000 0.988 386 T CB 0.825 69.684 68.868 -0.015 0.000 1.040 386 T HN 0.623 nan 8.240 nan 0.000 0.528 387 E N 1.151 121.367 120.200 0.026 0.000 2.118 387 E HA -0.153 4.197 4.350 0.000 0.000 0.195 387 E C 1.389 178.022 176.600 0.054 0.000 0.992 387 E CA 1.566 57.989 56.400 0.039 0.000 0.804 387 E CB -0.197 29.524 29.700 0.036 0.000 0.741 387 E HN 0.872 nan 8.360 nan 0.000 0.458 388 D N -0.513 119.925 120.400 0.063 0.000 2.325 388 D HA -0.044 4.596 4.640 0.000 0.000 0.234 388 D C 0.147 176.532 176.300 0.141 0.000 1.122 388 D CA -0.071 53.988 54.000 0.099 0.000 0.850 388 D CB -0.361 40.505 40.800 0.111 0.000 0.921 388 D HN -0.006 nan 8.370 nan 0.000 0.513 389 N N -0.832 117.926 118.700 0.096 0.000 2.937 389 N HA -0.150 4.590 4.740 0.000 0.000 0.248 389 N C -1.073 174.477 175.510 0.067 0.000 1.069 389 N CA 0.280 53.393 53.050 0.105 0.000 0.822 389 N CB -1.651 36.932 38.487 0.159 0.000 1.122 389 N HN 0.399 nan 8.380 nan 0.000 0.554 390 I N 0.729 121.281 120.570 -0.031 0.000 2.365 390 I HA 0.266 4.436 4.170 0.000 0.000 0.291 390 I C 0.480 176.528 176.117 -0.115 0.000 1.004 390 I CA -0.921 60.268 61.300 -0.184 0.000 1.311 390 I CB 1.015 38.868 38.000 -0.245 0.000 1.401 390 I HN 0.021 nan 8.210 nan 0.000 0.491 391 L N 7.697 128.848 121.223 -0.121 0.000 2.312 391 L HA 0.488 4.828 4.340 0.000 0.000 0.281 391 L C -0.672 176.136 176.870 -0.103 0.000 1.070 391 L CA 0.106 54.890 54.840 -0.094 0.000 0.805 391 L CB 0.790 42.797 42.059 -0.086 0.000 1.174 391 L HN 0.412 nan 8.230 nan 0.000 0.434 392 L N 4.739 125.909 121.223 -0.089 0.000 2.362 392 L HA 0.405 4.745 4.340 0.000 0.000 0.271 392 L C -1.391 175.453 176.870 -0.043 0.000 1.002 392 L CA -0.947 53.852 54.840 -0.069 0.000 0.818 392 L CB 1.847 43.855 42.059 -0.086 0.000 1.298 392 L HN 0.525 nan 8.230 nan 0.000 0.420 393 Y N 0.404 120.619 120.300 -0.140 0.000 2.335 393 Y HA 0.534 5.084 4.550 0.000 0.000 0.338 393 Y C 0.569 176.430 175.900 -0.065 0.000 0.977 393 Y CA -0.418 57.600 58.100 -0.136 0.000 1.114 393 Y CB 2.037 40.411 38.460 -0.143 0.000 1.182 393 Y HN 0.608 nan 8.280 nan 0.000 0.463 394 G N 2.380 110.764 108.800 -0.695 0.000 2.651 394 G HA2 0.465 4.425 3.960 0.000 0.000 0.207 394 G HA3 0.465 4.425 3.960 0.000 0.000 0.207 394 G C 0.329 174.813 174.900 -0.694 0.000 1.131 394 G CA 0.332 45.114 45.100 -0.530 0.000 0.816 394 G HN 1.321 nan 8.290 nan 0.000 0.534 395 G N -0.608 107.559 108.800 -1.055 0.000 2.340 395 G HA2 0.205 4.165 3.960 0.000 0.000 0.282 395 G HA3 0.205 4.165 3.960 0.000 0.000 0.282 395 G C -1.314 173.489 174.900 -0.161 0.000 1.312 395 G CA -1.068 43.723 45.100 -0.515 0.000 0.942 395 G HN 0.328 nan 8.290 nan 0.000 0.495 396 R N 0.151 120.662 120.500 0.018 0.000 2.404 396 R HA 0.442 4.782 4.340 0.000 0.000 0.291 396 R C 1.101 177.326 176.300 -0.124 0.000 1.025 396 R CA -0.859 55.181 56.100 -0.099 0.000 0.991 396 R CB 1.349 31.419 30.300 -0.383 0.000 1.053 396 R HN 0.316 nan 8.270 nan 0.000 0.479 397 L N 2.074 123.227 121.223 -0.117 0.000 1.997 397 L HA -0.249 4.091 4.340 0.000 0.000 0.216 397 L C 1.549 178.365 176.870 -0.090 0.000 1.074 397 L CA 1.871 56.659 54.840 -0.088 0.000 0.763 397 L CB -0.775 41.228 42.059 -0.092 0.000 0.890 397 L HN 0.625 nan 8.230 nan 0.000 0.434 398 D N -1.135 119.142 120.400 -0.205 0.000 2.311 398 D HA -0.191 4.449 4.640 0.000 0.000 0.212 398 D C 1.379 177.691 176.300 0.020 0.000 0.972 398 D CA 1.013 54.907 54.000 -0.176 0.000 0.887 398 D CB -0.050 40.570 40.800 -0.300 0.000 0.915 398 D HN 0.330 nan 8.370 nan 0.000 0.497 399 F N 0.137 120.126 119.950 0.065 0.000 2.654 399 F HA 0.227 4.754 4.527 0.000 0.000 0.303 399 F C 0.923 176.752 175.800 0.048 0.000 1.099 399 F CA -0.899 57.140 58.000 0.064 0.000 1.270 399 F CB -0.599 38.437 39.000 0.059 0.000 1.024 399 F HN -0.222 nan 8.300 nan 0.000 0.548 400 Q N 2.720 122.626 119.800 0.176 0.000 2.323 400 Q HA 0.466 4.806 4.340 0.000 0.000 0.257 400 Q C -0.348 175.738 176.000 0.143 0.000 1.022 400 Q CA -0.283 55.594 55.803 0.124 0.000 0.919 400 Q CB 0.532 29.309 28.738 0.065 0.000 1.220 400 Q HN 0.522 nan 8.270 nan 0.000 0.427 401 I N 0.097 120.758 120.570 0.151 0.000 2.863 401 I HA 0.589 4.759 4.170 0.000 0.000 0.311 401 I C -0.960 175.260 176.117 0.171 0.000 1.026 401 I CA -1.121 60.279 61.300 0.167 0.000 1.077 401 I CB 1.814 39.907 38.000 0.156 0.000 1.262 401 I HN 0.248 nan 8.210 nan 0.000 0.461 402 K N 2.588 123.099 120.400 0.185 0.000 2.293 402 K HA 0.465 4.785 4.320 0.000 0.000 0.267 402 K C -1.827 174.928 176.600 0.259 0.000 1.010 402 K CA -0.516 55.882 56.287 0.185 0.000 0.875 402 K CB 1.152 33.729 32.500 0.127 0.000 1.106 402 K HN 0.602 nan 8.250 nan 0.000 0.450 403 Y N 1.436 121.806 120.300 0.117 0.000 2.401 403 Y HA 0.359 4.909 4.550 0.000 0.000 0.330 403 Y C -0.481 175.504 175.900 0.141 0.000 1.071 403 Y CA -0.760 57.400 58.100 0.100 0.000 1.049 403 Y CB 1.644 40.145 38.460 0.067 0.000 1.239 403 Y HN 0.755 nan 8.280 nan 0.000 0.437 404 A N 3.923 126.393 122.820 -0.582 0.000 2.511 404 A HA 0.044 4.364 4.320 0.000 0.000 0.297 404 A C 1.228 178.787 177.584 -0.041 0.000 1.476 404 A CA 1.645 53.498 52.037 -0.307 0.000 0.757 404 A CB -2.110 16.692 19.000 -0.329 0.000 1.072 404 A HN 2.516 nan 8.150 nan 0.000 0.413 405 G N -2.275 106.494 108.800 -0.051 0.000 2.325 405 G HA2 -0.089 3.871 3.960 0.000 0.000 0.274 405 G HA3 -0.089 3.871 3.960 0.000 0.000 0.274 405 G C -0.277 174.519 174.900 -0.173 0.000 0.921 405 G CA 1.017 46.065 45.100 -0.087 0.000 1.340 405 G HN 1.666 nan 8.290 nan 0.000 0.447 406 Y N -0.928 119.322 120.300 -0.083 0.000 2.677 406 Y HA 0.674 5.224 4.550 0.000 0.000 0.334 406 Y C 0.764 176.654 175.900 -0.017 0.000 1.154 406 Y CA -1.267 56.774 58.100 -0.099 0.000 1.070 406 Y CB 1.366 39.718 38.460 -0.180 0.000 1.294 406 Y HN 0.148 nan 8.280 nan 0.000 0.475 407 R N 2.352 123.003 120.500 0.252 0.000 3.301 407 R HA 0.349 4.689 4.340 0.000 0.000 0.286 407 R C -1.399 175.010 176.300 0.182 0.000 1.386 407 R CA -0.164 56.032 56.100 0.161 0.000 1.607 407 R CB -0.300 30.063 30.300 0.106 0.000 1.305 407 R HN 0.370 nan 8.270 nan 0.000 0.637 408 I N 1.670 122.352 120.570 0.186 0.000 2.315 408 I HA 0.196 4.366 4.170 0.000 0.000 0.291 408 I C 0.625 176.810 176.117 0.112 0.000 1.006 408 I CA -0.454 60.941 61.300 0.159 0.000 1.265 408 I CB 1.139 39.242 38.000 0.173 0.000 1.387 408 I HN 0.121 nan 8.210 nan 0.000 0.475 409 E N 6.241 126.491 120.200 0.083 0.000 2.105 409 E HA 0.207 4.557 4.350 0.000 0.000 0.285 409 E C 0.944 177.575 176.600 0.053 0.000 1.055 409 E CA -0.356 56.082 56.400 0.063 0.000 0.843 409 E CB 1.753 31.465 29.700 0.020 0.000 1.067 409 E HN 0.516 nan 8.360 nan 0.000 0.398 410 L N 2.705 123.967 121.223 0.064 0.000 1.997 410 L HA -0.291 4.049 4.340 0.000 0.000 0.216 410 L C 1.773 178.647 176.870 0.007 0.000 1.074 410 L CA 1.609 56.457 54.840 0.012 0.000 0.763 410 L CB -0.294 41.748 42.059 -0.030 0.000 0.890 410 L HN 0.537 nan 8.230 nan 0.000 0.434 411 E N -0.265 119.965 120.200 0.049 0.000 2.333 411 E HA -0.235 4.115 4.350 0.000 0.000 0.200 411 E C 1.703 178.320 176.600 0.029 0.000 1.010 411 E CA 1.069 57.505 56.400 0.059 0.000 0.841 411 E CB -0.178 29.595 29.700 0.122 0.000 0.757 411 E HN 0.438 nan 8.360 nan 0.000 0.508 412 D N -0.468 119.939 120.400 0.012 0.000 2.103 412 D HA -0.076 4.564 4.640 0.000 0.000 0.199 412 D C 1.957 178.253 176.300 -0.007 0.000 0.978 412 D CA 0.859 54.860 54.000 0.001 0.000 0.829 412 D CB 0.073 40.875 40.800 0.004 0.000 0.981 412 D HN 0.050 nan 8.370 nan 0.000 0.464 413 V N 1.001 120.907 119.914 -0.014 0.000 2.332 413 V HA -0.233 3.887 4.120 0.000 0.000 0.248 413 V C 2.566 178.637 176.094 -0.039 0.000 1.055 413 V CA 1.580 63.861 62.300 -0.031 0.000 1.038 413 V CB -0.615 31.182 31.823 -0.043 0.000 0.651 413 V HN 0.109 nan 8.190 nan 0.000 0.450 414 S N -0.457 115.221 115.700 -0.038 0.000 2.353 414 S HA -0.248 4.222 4.470 0.000 0.000 0.222 414 S C 2.008 176.588 174.600 -0.033 0.000 1.035 414 S CA 1.520 59.693 58.200 -0.045 0.000 1.025 414 S CB -0.350 62.832 63.200 -0.029 0.000 0.902 414 S HN 0.588 nan 8.310 nan 0.000 0.440 415 Q N 0.585 120.380 119.800 -0.009 0.000 2.245 415 Q HA 0.043 4.383 4.340 0.000 0.000 0.201 415 Q C 2.145 178.141 176.000 -0.006 0.000 0.955 415 Q CA 0.821 56.623 55.803 -0.001 0.000 0.870 415 Q CB -0.458 28.292 28.738 0.020 0.000 0.945 415 Q HN 0.500 nan 8.270 nan 0.000 0.461 416 Q N 0.673 120.468 119.800 -0.008 0.000 2.020 416 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 416 Q C 2.074 178.078 176.000 0.006 0.000 0.982 416 Q CA 1.171 56.975 55.803 0.002 0.000 0.838 416 Q CB -0.171 28.566 28.738 -0.002 0.000 0.899 416 Q HN 0.328 nan 8.270 nan 0.000 0.423 417 L N 0.362 121.572 121.223 -0.022 0.000 2.083 417 L HA -0.181 4.159 4.340 0.000 0.000 0.209 417 L C 1.761 178.603 176.870 -0.045 0.000 1.083 417 L CA 0.768 55.581 54.840 -0.044 0.000 0.752 417 L CB -0.478 41.510 42.059 -0.117 0.000 0.899 417 L HN 0.285 nan 8.230 nan 0.000 0.433 418 N N -0.281 118.394 118.700 -0.043 0.000 2.443 418 N HA -0.167 4.573 4.740 0.000 0.000 0.184 418 N C 1.795 177.298 175.510 -0.012 0.000 1.037 418 N CA 0.724 53.753 53.050 -0.035 0.000 0.896 418 N CB -0.117 38.350 38.487 -0.033 0.000 0.959 418 N HN 0.379 nan 8.380 nan 0.000 0.442 419 Q N 0.164 119.967 119.800 0.005 0.000 2.226 419 Q HA -0.025 4.315 4.340 0.000 0.000 0.204 419 Q C 0.515 176.539 176.000 0.040 0.000 0.975 419 Q CA 0.293 56.110 55.803 0.024 0.000 0.866 419 Q CB -0.258 28.505 28.738 0.041 0.000 0.915 419 Q HN 0.198 nan 8.270 nan 0.000 0.440 420 S N 1.113 116.833 115.700 0.034 0.000 2.531 420 S HA 0.085 4.555 4.470 0.000 0.000 0.279 420 S C -1.814 172.804 174.600 0.031 0.000 1.305 420 S CA -1.378 56.847 58.200 0.040 0.000 1.058 420 S CB 1.033 64.253 63.200 0.033 0.000 0.899 420 S HN -0.089 nan 8.310 nan 0.000 0.493 421 P HA -0.027 nan 4.420 nan 0.000 0.225 421 P C 0.721 178.043 177.300 0.038 0.000 1.148 421 P CA 1.307 64.429 63.100 0.037 0.000 0.779 421 P CB 0.060 31.788 31.700 0.045 0.000 0.780 422 M N -2.429 117.199 119.600 0.047 0.000 2.441 422 M HA 0.075 4.555 4.480 0.000 0.000 0.244 422 M C -0.006 176.314 176.300 0.034 0.000 1.122 422 M CA 0.242 55.576 55.300 0.057 0.000 1.041 422 M CB 0.447 33.097 32.600 0.084 0.000 1.438 422 M HN -0.339 nan 8.290 nan 0.000 0.484 423 V N 0.586 120.505 119.914 0.009 0.000 2.394 423 V HA 0.421 4.541 4.120 0.000 0.000 0.282 423 V C 0.840 176.919 176.094 -0.026 0.000 1.031 423 V CA -0.305 61.984 62.300 -0.020 0.000 0.881 423 V CB 1.243 33.032 31.823 -0.056 0.000 0.982 423 V HN 0.318 nan 8.190 nan 0.000 0.451 424 A N 3.905 126.707 122.820 -0.031 0.000 1.844 424 A HA 0.220 4.540 4.320 0.000 0.000 0.212 424 A C 1.164 178.712 177.584 -0.059 0.000 1.221 424 A CA 1.116 53.127 52.037 -0.043 0.000 0.607 424 A CB -0.006 18.968 19.000 -0.043 0.000 0.878 424 A HN 0.827 nan 8.150 nan 0.000 0.451 425 S N -1.435 114.226 115.700 -0.065 0.000 2.614 425 S HA 0.649 5.119 4.470 0.000 0.000 0.288 425 S C -0.896 173.649 174.600 -0.091 0.000 1.137 425 S CA 0.075 58.231 58.200 -0.073 0.000 0.992 425 S CB 1.380 64.537 63.200 -0.071 0.000 1.026 425 S HN 1.275 nan 8.310 nan 0.000 0.486 426 A N 3.671 126.432 122.820 -0.099 0.000 2.356 426 A HA 0.800 5.120 4.320 0.000 0.000 0.310 426 A C -1.156 176.371 177.584 -0.095 0.000 1.075 426 A CA -0.636 51.320 52.037 -0.135 0.000 0.746 426 A CB 1.650 20.541 19.000 -0.182 0.000 1.221 426 A HN 0.968 nan 8.150 nan 0.000 0.443 427 V N 2.348 122.218 119.914 -0.073 0.000 2.380 427 V HA 0.573 4.693 4.120 0.000 0.000 0.286 427 V C 0.627 176.700 176.094 -0.035 0.000 1.015 427 V CA -0.440 61.839 62.300 -0.035 0.000 0.834 427 V CB 0.921 32.739 31.823 -0.009 0.000 1.009 427 V HN 1.213 nan 8.190 nan 0.000 0.428 428 A N 4.568 127.338 122.820 -0.083 0.000 2.407 428 A HA 0.747 5.067 4.320 0.000 0.000 0.248 428 A C -0.338 177.173 177.584 -0.121 0.000 1.082 428 A CA -0.103 51.869 52.037 -0.108 0.000 0.785 428 A CB 0.875 19.813 19.000 -0.102 0.000 1.020 428 A HN 0.786 nan 8.150 nan 0.000 0.489 429 V N 4.021 123.844 119.914 -0.153 0.000 2.969 429 V HA 0.498 4.618 4.120 0.000 0.000 0.304 429 V C -2.584 173.364 176.094 -0.243 0.000 1.192 429 V CA -1.111 61.089 62.300 -0.166 0.000 0.962 429 V CB 2.870 34.656 31.823 -0.062 0.000 1.045 429 V HN 0.895 nan 8.190 nan 0.000 0.428 430 P HA 0.417 nan 4.420 nan 0.000 0.296 430 P C -1.268 175.690 177.300 -0.571 0.000 1.306 430 P CA -0.664 62.150 63.100 -0.476 0.000 0.818 430 P CB 1.170 32.517 31.700 -0.588 0.000 0.969 431 R N 3.612 123.820 120.500 -0.487 0.000 2.255 431 R HA 0.387 4.727 4.340 0.000 0.000 0.326 431 R C -0.773 175.305 176.300 -0.370 0.000 0.986 431 R CA -0.476 55.407 56.100 -0.361 0.000 0.847 431 R CB 0.322 30.501 30.300 -0.202 0.000 1.111 431 R HN 0.411 nan 8.270 nan 0.000 0.452 432 Y N 2.422 122.677 120.300 -0.075 0.000 2.519 432 Y HA 0.280 4.830 4.550 0.000 0.000 0.324 432 Y C 0.557 176.432 175.900 -0.041 0.000 1.214 432 Y CA -0.684 57.367 58.100 -0.082 0.000 1.260 432 Y CB 1.250 39.611 38.460 -0.164 0.000 1.311 432 Y HN 0.746 nan 8.280 nan 0.000 0.505 433 N N -0.870 117.933 118.700 0.171 0.000 3.061 433 N HA 0.358 5.099 4.740 0.000 0.000 0.346 433 N C 0.791 176.349 175.510 0.080 0.000 1.392 433 N CA -0.280 52.829 53.050 0.098 0.000 0.762 433 N CB -0.154 38.380 38.487 0.078 0.000 1.367 433 N HN 0.465 nan 8.380 nan 0.000 0.607 434 K N -0.450 119.986 120.400 0.060 0.000 2.211 434 K HA -0.094 4.226 4.320 0.000 0.000 0.204 434 K C 1.367 177.999 176.600 0.053 0.000 1.047 434 K CA 1.878 58.195 56.287 0.050 0.000 0.935 434 K CB -1.146 31.378 32.500 0.040 0.000 0.728 434 K HN 0.707 nan 8.250 nan 0.000 0.452 435 E N -0.768 119.467 120.200 0.060 0.000 2.476 435 E HA 0.032 4.382 4.350 0.000 0.000 0.191 435 E C -0.110 176.546 176.600 0.094 0.000 1.064 435 E CA -0.123 56.315 56.400 0.064 0.000 0.866 435 E CB -0.187 29.549 29.700 0.060 0.000 0.952 435 E HN 0.610 nan 8.360 nan 0.000 0.492 436 H N -0.314 118.725 119.070 -0.051 0.000 2.713 436 H HA -0.199 4.357 4.556 0.000 0.000 0.311 436 H C -0.561 174.720 175.328 -0.080 0.000 1.175 436 H CA 0.884 56.824 56.048 -0.182 0.000 1.143 436 H CB -0.833 28.800 29.762 -0.214 0.000 1.434 436 H HN 0.021 nan 8.280 nan 0.000 0.418 437 K N -0.727 119.719 120.400 0.078 0.000 2.340 437 K HA 0.487 4.807 4.320 0.000 0.000 0.244 437 K C -0.529 176.260 176.600 0.315 0.000 0.973 437 K CA -0.674 55.723 56.287 0.183 0.000 0.828 437 K CB 1.828 34.405 32.500 0.129 0.000 1.226 437 K HN 0.005 nan 8.250 nan 0.000 0.437 438 V N 4.602 124.687 119.914 0.284 0.000 2.338 438 V HA 0.054 4.174 4.120 0.000 0.000 0.255 438 V C 1.247 177.454 176.094 0.189 0.000 1.082 438 V CA -0.124 62.290 62.300 0.190 0.000 0.951 438 V CB 0.509 32.439 31.823 0.179 0.000 1.102 438 V HN 0.819 nan 8.190 nan 0.000 0.489 439 Q N 5.283 125.141 119.800 0.097 0.000 2.046 439 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 439 Q C 0.503 176.592 176.000 0.148 0.000 0.975 439 Q CA 1.974 57.845 55.803 0.113 0.000 0.836 439 Q CB 0.283 29.053 28.738 0.053 0.000 0.896 439 Q HN 0.943 nan 8.270 nan 0.000 0.428 440 N N -1.775 116.884 118.700 -0.069 0.000 3.043 440 N HA 0.280 5.020 4.740 0.000 0.000 0.243 440 N C -1.783 173.467 175.510 -0.433 0.000 1.347 440 N CA -0.697 52.203 53.050 -0.250 0.000 0.896 440 N CB 0.521 38.958 38.487 -0.083 0.000 1.501 440 N HN 0.078 nan 8.380 nan 0.000 0.504 441 L N 0.448 121.343 121.223 -0.547 0.000 2.350 441 L HA 0.568 4.908 4.340 0.000 0.000 0.275 441 L C -0.685 176.034 176.870 -0.251 0.000 1.099 441 L CA -0.816 53.777 54.840 -0.411 0.000 0.808 441 L CB 0.596 42.408 42.059 -0.412 0.000 1.149 441 L HN 0.460 nan 8.230 nan 0.000 0.442 442 L N 2.285 123.371 121.223 -0.228 0.000 2.283 442 L HA 0.850 5.190 4.340 0.000 0.000 0.259 442 L C -0.363 176.396 176.870 -0.184 0.000 1.027 442 L CA -0.321 54.406 54.840 -0.189 0.000 0.828 442 L CB 1.975 43.876 42.059 -0.262 0.000 1.380 442 L HN 0.646 nan 8.230 nan 0.000 0.425 443 A N 0.121 122.836 122.820 -0.175 0.000 2.398 443 A HA 0.719 5.039 4.320 0.000 0.000 0.301 443 A C -1.713 175.629 177.584 -0.404 0.000 1.041 443 A CA -0.418 51.459 52.037 -0.267 0.000 0.711 443 A CB 0.553 19.352 19.000 -0.334 0.000 1.240 443 A HN 0.471 nan 8.150 nan 0.000 0.420 444 Y N 2.153 122.303 120.300 -0.251 0.000 2.359 444 Y HA 0.432 4.982 4.550 0.000 0.000 0.330 444 Y C 0.526 176.212 175.900 -0.356 0.000 1.143 444 Y CA 0.224 58.168 58.100 -0.259 0.000 1.318 444 Y CB 0.792 39.148 38.460 -0.173 0.000 1.234 444 Y HN 0.388 nan 8.280 nan 0.000 0.522 445 I N 4.115 124.530 120.570 -0.258 0.000 2.466 445 I HA 0.285 4.455 4.170 0.000 0.000 0.289 445 I C -0.995 175.071 176.117 -0.086 0.000 1.026 445 I CA -0.827 60.288 61.300 -0.307 0.000 1.078 445 I CB 1.533 39.158 38.000 -0.624 0.000 1.249 445 I HN 0.224 nan 8.210 nan 0.000 0.429 446 V N 6.327 126.211 119.914 -0.050 0.000 2.398 446 V HA 0.419 4.539 4.120 0.000 0.000 0.286 446 V C 0.330 176.430 176.094 0.010 0.000 1.026 446 V CA -0.734 61.570 62.300 0.008 0.000 0.868 446 V CB 2.009 33.820 31.823 -0.019 0.000 0.982 446 V HN 0.573 nan 8.190 nan 0.000 0.443 447 V N 2.845 122.794 119.914 0.059 0.000 3.109 447 V HA 0.625 4.745 4.120 0.000 0.000 0.317 447 V C 0.319 176.427 176.094 0.023 0.000 1.074 447 V CA -0.939 61.390 62.300 0.049 0.000 1.033 447 V CB 1.119 32.991 31.823 0.082 0.000 1.111 447 V HN 0.760 nan 8.190 nan 0.000 0.458 448 K N 0.466 120.878 120.400 0.021 0.000 2.136 448 K HA 0.212 4.532 4.320 0.000 0.000 0.237 448 K C -0.452 176.156 176.600 0.014 0.000 1.048 448 K CA -0.515 55.778 56.287 0.009 0.000 0.880 448 K CB 0.167 32.673 32.500 0.010 0.000 1.105 448 K HN 0.776 nan 8.250 nan 0.000 0.507 449 D N -0.079 120.323 120.400 0.004 0.000 2.424 449 D HA 0.110 4.750 4.640 0.000 0.000 0.244 449 D C 0.732 177.040 176.300 0.014 0.000 1.134 449 D CA 1.019 55.022 54.000 0.005 0.000 0.881 449 D CB 0.532 41.328 40.800 -0.006 0.000 1.191 449 D HN 0.703 nan 8.370 nan 0.000 0.445 450 G N 1.307 110.117 108.800 0.016 0.000 2.246 450 G HA2 -0.229 3.731 3.960 0.000 0.000 0.273 450 G HA3 -0.229 3.731 3.960 0.000 0.000 0.273 450 G C 0.769 175.692 174.900 0.039 0.000 1.055 450 G CA 0.319 45.429 45.100 0.017 0.000 0.851 450 G HN 0.414 nan 8.290 nan 0.000 0.500 451 V N -0.372 119.580 119.914 0.064 0.000 2.996 451 V HA 0.196 4.316 4.120 0.000 0.000 0.235 451 V C 2.447 178.643 176.094 0.170 0.000 1.205 451 V CA 1.817 64.197 62.300 0.134 0.000 1.225 451 V CB 0.102 31.998 31.823 0.122 0.000 0.995 451 V HN 0.396 nan 8.190 nan 0.000 0.484 452 K N 0.513 120.963 120.400 0.084 0.000 2.293 452 K HA -0.250 4.070 4.320 0.000 0.000 0.204 452 K C 1.426 178.066 176.600 0.065 0.000 1.045 452 K CA 1.966 58.283 56.287 0.050 0.000 0.933 452 K CB 0.149 32.654 32.500 0.008 0.000 0.736 452 K HN 0.515 nan 8.250 nan 0.000 0.463 453 E N -1.066 119.165 120.200 0.051 0.000 2.498 453 E HA 0.088 4.438 4.350 0.000 0.000 0.203 453 E C 0.722 177.307 176.600 -0.025 0.000 1.013 453 E CA 0.016 56.424 56.400 0.014 0.000 0.927 453 E CB 0.615 30.315 29.700 0.001 0.000 1.012 453 E HN 0.113 nan 8.360 nan 0.000 0.482 454 R N 0.018 120.493 120.500 -0.041 0.000 2.334 454 R HA 0.243 4.583 4.340 0.000 0.000 0.220 454 R C -0.555 175.436 176.300 -0.514 0.000 0.917 454 R CA 0.162 56.116 56.100 -0.244 0.000 1.073 454 R CB 0.252 30.380 30.300 -0.286 0.000 1.056 454 R HN 0.064 nan 8.270 nan 0.000 0.506 455 F N -0.933 118.995 119.950 -0.037 0.000 2.579 455 F HA 0.186 4.713 4.527 -0.000 0.000 0.325 455 F C 0.394 176.164 175.800 -0.049 0.000 1.162 455 F CA -0.911 57.063 58.000 -0.044 0.000 0.946 455 F CB 2.105 41.071 39.000 -0.058 0.000 1.211 455 F HN -0.196 nan 8.300 nan 0.000 0.447 456 D N 1.079 121.549 120.400 0.117 0.000 2.183 456 D HA -0.047 4.593 4.640 0.000 0.000 0.203 456 D C 0.483 176.816 176.300 0.056 0.000 0.969 456 D CA 1.192 55.227 54.000 0.058 0.000 0.842 456 D CB 0.256 41.073 40.800 0.028 0.000 0.957 456 D HN 0.411 nan 8.370 nan 0.000 0.484 457 R N -0.316 120.234 120.500 0.082 0.000 2.673 457 R HA 0.347 4.687 4.340 0.000 0.000 0.281 457 R C 0.192 176.478 176.300 -0.024 0.000 0.991 457 R CA -0.610 55.505 56.100 0.024 0.000 0.896 457 R CB 1.301 31.611 30.300 0.017 0.000 1.201 457 R HN -0.210 nan 8.270 nan 0.000 0.457 458 E N 1.054 121.205 120.200 -0.081 0.000 2.197 458 E HA -0.269 4.082 4.350 0.000 0.000 0.205 458 E C 1.427 177.975 176.600 -0.087 0.000 1.029 458 E CA 2.065 58.375 56.400 -0.151 0.000 0.828 458 E CB 0.052 29.708 29.700 -0.073 0.000 0.737 458 E HN 0.618 nan 8.360 nan 0.000 0.464 459 L N 0.809 122.006 121.223 -0.043 0.000 2.056 459 L HA -0.155 4.185 4.340 0.000 0.000 0.207 459 L C 1.972 178.807 176.870 -0.058 0.000 1.078 459 L CA 1.786 56.602 54.840 -0.039 0.000 0.749 459 L CB -0.144 41.901 42.059 -0.023 0.000 0.901 459 L HN 0.107 nan 8.230 nan 0.000 0.433 460 E N -0.693 119.489 120.200 -0.030 0.000 2.077 460 E HA -0.262 4.088 4.350 0.000 0.000 0.193 460 E C 2.064 178.495 176.600 -0.281 0.000 0.989 460 E CA 1.408 57.817 56.400 0.014 0.000 0.800 460 E CB -0.310 29.558 29.700 0.280 0.000 0.746 460 E HN 0.364 nan 8.360 nan 0.000 0.452 461 L N 1.057 121.943 121.223 -0.562 0.000 1.970 461 L HA -0.200 4.141 4.340 0.000 0.000 0.212 461 L C 2.222 178.915 176.870 -0.296 0.000 1.071 461 L CA 2.109 56.421 54.840 -0.880 0.000 0.751 461 L CB -1.058 40.588 42.059 -0.687 0.000 0.889 461 L HN 0.067 nan 8.230 nan 0.000 0.432 462 T N -0.070 114.464 114.554 -0.033 0.000 2.635 462 T HA -0.239 4.111 4.350 0.000 0.000 0.267 462 T C 1.907 176.564 174.700 -0.071 0.000 1.040 462 T CA 1.942 64.080 62.100 0.063 0.000 1.156 462 T CB -0.231 68.586 68.868 -0.084 0.000 0.863 462 T HN 0.337 nan 8.240 nan 0.000 0.430 463 K N 0.913 121.250 120.400 -0.105 0.000 2.097 463 K HA 0.034 4.354 4.320 0.000 0.000 0.206 463 K C 2.703 179.280 176.600 -0.038 0.000 1.049 463 K CA 1.094 57.333 56.287 -0.079 0.000 0.933 463 K CB -0.323 32.143 32.500 -0.056 0.000 0.717 463 K HN 0.313 nan 8.250 nan 0.000 0.442 464 A N 1.636 124.423 122.820 -0.055 0.000 1.908 464 A HA -0.169 4.151 4.320 0.000 0.000 0.218 464 A C 2.127 179.721 177.584 0.018 0.000 1.181 464 A CA 1.347 53.384 52.037 0.000 0.000 0.627 464 A CB -0.556 18.427 19.000 -0.029 0.000 0.818 464 A HN 0.169 nan 8.150 nan 0.000 0.445 465 I N -0.521 120.061 120.570 0.020 0.000 2.179 465 I HA -0.268 3.902 4.170 0.000 0.000 0.242 465 I C 2.394 178.575 176.117 0.106 0.000 1.088 465 I CA 1.678 63.038 61.300 0.100 0.000 1.357 465 I CB -0.249 37.887 38.000 0.226 0.000 1.051 465 I HN 0.275 nan 8.210 nan 0.000 0.409 466 K N 0.846 121.300 120.400 0.090 0.000 2.209 466 K HA -0.092 4.228 4.320 0.000 0.000 0.204 466 K C 2.115 178.716 176.600 0.002 0.000 1.048 466 K CA 1.314 57.626 56.287 0.041 0.000 0.940 466 K CB -0.230 32.242 32.500 -0.047 0.000 0.729 466 K HN 0.315 nan 8.250 nan 0.000 0.451 467 A N 1.417 124.237 122.820 -0.000 0.000 2.066 467 A HA -0.109 4.211 4.320 0.000 0.000 0.218 467 A C 2.103 179.677 177.584 -0.017 0.000 1.157 467 A CA 1.623 53.653 52.037 -0.012 0.000 0.670 467 A CB -0.374 18.627 19.000 0.002 0.000 0.804 467 A HN 0.352 nan 8.150 nan 0.000 0.453 468 S N -0.693 115.011 115.700 0.006 0.000 2.527 468 S HA 0.095 4.565 4.470 0.000 0.000 0.222 468 S C 0.775 175.366 174.600 -0.014 0.000 0.985 468 S CA 0.886 59.092 58.200 0.009 0.000 0.921 468 S CB -0.237 62.989 63.200 0.043 0.000 0.772 468 S HN 0.999 nan 8.310 nan 0.000 0.529 469 V N -1.096 118.802 119.914 -0.026 0.000 3.047 469 V HA 0.419 4.539 4.120 0.000 0.000 0.374 469 V C 1.218 177.252 176.094 -0.100 0.000 1.399 469 V CA -0.078 62.192 62.300 -0.050 0.000 1.251 469 V CB -0.568 31.305 31.823 0.084 0.000 1.228 469 V HN 0.394 nan 8.190 nan 0.000 0.589 470 K N -1.548 118.777 120.400 -0.124 0.000 2.228 470 K HA -0.001 4.320 4.320 0.000 0.000 0.202 470 K C 1.167 177.679 176.600 -0.148 0.000 1.051 470 K CA 1.458 57.679 56.287 -0.109 0.000 0.960 470 K CB -0.772 31.679 32.500 -0.082 0.000 0.743 470 K HN 0.552 nan 8.250 nan 0.000 0.458 471 D N 0.539 120.783 120.400 -0.260 0.000 2.269 471 D HA -0.046 4.594 4.640 0.000 0.000 0.208 471 D C 1.766 177.946 176.300 -0.200 0.000 0.963 471 D CA 1.199 55.043 54.000 -0.260 0.000 0.864 471 D CB -0.151 40.452 40.800 -0.328 0.000 0.936 471 D HN 0.601 nan 8.370 nan 0.000 0.505 472 H N -0.588 118.469 119.070 -0.023 0.000 2.337 472 H HA 0.212 4.769 4.556 0.000 0.000 0.311 472 H C 0.985 176.281 175.328 -0.053 0.000 1.054 472 H CA 0.209 56.240 56.048 -0.028 0.000 1.385 472 H CB -0.417 29.334 29.762 -0.017 0.000 1.437 472 H HN 0.107 nan 8.280 nan 0.000 0.553 473 M N 1.823 121.444 119.600 0.035 0.000 2.246 473 M HA 0.017 4.497 4.480 0.000 0.000 0.350 473 M C 0.087 176.305 176.300 -0.137 0.000 1.406 473 M CA -0.142 55.127 55.300 -0.052 0.000 1.089 473 M CB 0.412 32.979 32.600 -0.054 0.000 1.782 473 M HN 0.068 nan 8.290 nan 0.000 0.457 474 M N 2.156 121.611 119.600 -0.242 0.000 2.252 474 M HA -0.034 4.447 4.480 0.000 0.000 0.333 474 M C 1.460 177.469 176.300 -0.483 0.000 1.111 474 M CA 0.537 55.574 55.300 -0.438 0.000 1.140 474 M CB 0.877 32.999 32.600 -0.796 0.000 1.538 474 M HN 0.798 nan 8.290 nan 0.000 0.448 475 S N 3.431 118.897 115.700 -0.390 0.000 2.368 475 S HA -0.211 4.259 4.470 0.000 0.000 0.225 475 S C 1.636 176.133 174.600 -0.171 0.000 1.030 475 S CA 1.740 59.816 58.200 -0.207 0.000 0.999 475 S CB -1.117 62.036 63.200 -0.079 0.000 0.844 475 S HN 0.781 nan 8.310 nan 0.000 0.459 476 Y N -0.128 120.122 120.300 -0.083 0.000 2.497 476 Y HA 0.336 4.886 4.550 0.000 0.000 0.292 476 Y C 2.209 178.112 175.900 0.005 0.000 1.137 476 Y CA 0.371 58.429 58.100 -0.071 0.000 1.285 476 Y CB -0.582 37.708 38.460 -0.284 0.000 0.991 476 Y HN 0.169 nan 8.280 nan 0.000 0.556 477 M N -0.461 118.998 119.600 -0.233 0.000 2.486 477 M HA 0.125 4.605 4.480 0.000 0.000 0.264 477 M C 0.532 176.788 176.300 -0.072 0.000 1.125 477 M CA -0.071 55.162 55.300 -0.112 0.000 1.144 477 M CB 0.259 32.729 32.600 -0.217 0.000 1.353 477 M HN 0.292 nan 8.290 nan 0.000 0.466 478 M N 2.802 122.352 119.600 -0.084 0.000 2.390 478 M HA 0.111 4.591 4.480 0.000 0.000 0.353 478 M C -2.336 173.948 176.300 -0.027 0.000 1.623 478 M CA -1.876 53.401 55.300 -0.039 0.000 1.065 478 M CB -0.082 32.487 32.600 -0.052 0.000 2.025 478 M HN -0.209 nan 8.290 nan 0.000 0.461 479 P HA 0.202 nan 4.420 nan 0.000 0.274 479 P C -0.035 177.215 177.300 -0.083 0.000 1.231 479 P CA -0.249 62.830 63.100 -0.036 0.000 0.790 479 P CB 0.687 32.406 31.700 0.032 0.000 0.951 480 S N 1.331 116.960 115.700 -0.118 0.000 2.362 480 S HA 0.003 4.473 4.470 0.000 0.000 0.221 480 S C 0.648 175.102 174.600 -0.243 0.000 1.032 480 S CA 0.846 58.952 58.200 -0.156 0.000 0.973 480 S CB -0.269 62.871 63.200 -0.099 0.000 0.849 480 S HN 0.355 nan 8.310 nan 0.000 0.465 481 K N 0.357 120.650 120.400 -0.179 0.000 2.221 481 K HA 0.517 4.837 4.320 0.000 0.000 0.258 481 K C -1.684 174.915 176.600 -0.002 0.000 0.944 481 K CA -0.804 55.385 56.287 -0.163 0.000 0.823 481 K CB 0.951 33.379 32.500 -0.120 0.000 1.113 481 K HN 0.127 nan 8.250 nan 0.000 0.431 482 F N 3.434 123.242 119.950 -0.237 0.000 2.443 482 F HA 0.414 4.941 4.527 0.000 0.000 0.335 482 F C -0.062 175.476 175.800 -0.436 0.000 1.104 482 F CA -1.209 56.548 58.000 -0.404 0.000 1.013 482 F CB 1.001 39.669 39.000 -0.554 0.000 1.136 482 F HN 0.222 nan 8.300 nan 0.000 0.470 483 L N 4.852 125.882 121.223 -0.322 0.000 2.277 483 L HA 0.358 4.698 4.340 0.000 0.000 0.284 483 L C -0.872 175.861 176.870 -0.228 0.000 1.028 483 L CA -0.686 54.005 54.840 -0.248 0.000 0.835 483 L CB 0.529 42.372 42.059 -0.359 0.000 1.215 483 L HN 0.458 nan 8.230 nan 0.000 0.425 484 Y N 3.494 123.815 120.300 0.036 0.000 2.309 484 Y HA 0.476 5.026 4.550 0.000 0.000 0.327 484 Y C 0.510 176.442 175.900 0.054 0.000 1.172 484 Y CA -0.325 57.794 58.100 0.031 0.000 1.280 484 Y CB 0.740 39.212 38.460 0.020 0.000 1.234 484 Y HN 0.430 nan 8.280 nan 0.000 0.512 485 R N 0.996 121.607 120.500 0.185 0.000 2.774 485 R HA 0.197 4.537 4.340 0.000 0.000 0.272 485 R C -0.530 175.817 176.300 0.078 0.000 1.000 485 R CA -0.727 55.441 56.100 0.113 0.000 0.906 485 R CB 1.533 31.878 30.300 0.074 0.000 1.227 485 R HN 0.674 nan 8.270 nan 0.000 0.468 486 D N 0.217 120.645 120.400 0.047 0.000 2.305 486 D HA 0.015 4.655 4.640 0.000 0.000 0.206 486 D C 0.381 176.680 176.300 -0.003 0.000 0.974 486 D CA 1.047 55.062 54.000 0.026 0.000 0.871 486 D CB 0.618 41.431 40.800 0.022 0.000 0.947 486 D HN 0.516 nan 8.370 nan 0.000 0.516 487 S N -0.966 114.726 115.700 -0.014 0.000 2.636 487 S HA 0.549 5.019 4.470 0.000 0.000 0.268 487 S C -1.211 173.354 174.600 -0.058 0.000 1.159 487 S CA -0.992 57.182 58.200 -0.044 0.000 0.815 487 S CB 1.464 64.628 63.200 -0.060 0.000 1.130 487 S HN -0.032 nan 8.310 nan 0.000 0.471 488 L N 1.617 122.793 121.223 -0.080 0.000 2.334 488 L HA 0.656 4.996 4.340 0.000 0.000 0.273 488 L C -2.237 174.577 176.870 -0.094 0.000 1.013 488 L CA -2.271 52.502 54.840 -0.112 0.000 0.816 488 L CB 1.673 43.658 42.059 -0.123 0.000 1.278 488 L HN 0.581 nan 8.230 nan 0.000 0.431 489 P HA 0.261 nan 4.420 nan 0.000 0.271 489 P C -1.171 176.100 177.300 -0.049 0.000 1.218 489 P CA -0.154 62.906 63.100 -0.067 0.000 0.780 489 P CB 0.911 32.566 31.700 -0.076 0.000 0.901 490 L N 1.298 122.513 121.223 -0.013 0.000 2.333 490 L HA 0.447 4.787 4.340 0.000 0.000 0.269 490 L C 1.280 178.154 176.870 0.006 0.000 1.010 490 L CA -0.903 53.940 54.840 0.006 0.000 0.818 490 L CB 1.786 43.868 42.059 0.039 0.000 1.306 490 L HN 0.420 nan 8.230 nan 0.000 0.430 491 T N -2.167 112.384 114.554 -0.004 0.000 2.726 491 T HA 0.168 4.518 4.350 0.000 0.000 0.294 491 T C -1.828 172.855 174.700 -0.028 0.000 1.013 491 T CA -1.218 60.870 62.100 -0.020 0.000 0.996 491 T CB 0.459 69.299 68.868 -0.047 0.000 1.016 491 T HN 0.389 nan 8.240 nan 0.000 0.529 492 P HA -0.043 nan 4.420 nan 0.000 0.218 492 P C 1.096 178.342 177.300 -0.090 0.000 1.148 492 P CA 0.818 63.901 63.100 -0.029 0.000 0.822 492 P CB -0.054 31.642 31.700 -0.007 0.000 0.784 493 N N -1.416 117.144 118.700 -0.233 0.000 2.461 493 N HA 0.062 4.802 4.740 0.000 0.000 0.188 493 N C 1.223 176.543 175.510 -0.318 0.000 1.134 493 N CA 1.224 53.957 53.050 -0.528 0.000 0.878 493 N CB -0.280 37.416 38.487 -1.319 0.000 0.972 493 N HN 0.164 nan 8.380 nan 0.000 0.456 494 G N 0.593 109.335 108.800 -0.096 0.000 2.130 494 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 494 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 494 G C -0.170 174.781 174.900 0.085 0.000 0.999 494 G CA -0.186 44.950 45.100 0.060 0.000 0.686 494 G HN 0.322 nan 8.290 nan 0.000 0.515 495 K N -0.310 120.103 120.400 0.022 0.000 2.123 495 K HA 0.666 4.986 4.320 0.000 0.000 0.248 495 K C 0.791 177.411 176.600 0.033 0.000 0.969 495 K CA -1.082 55.237 56.287 0.053 0.000 0.882 495 K CB 1.606 34.137 32.500 0.051 0.000 1.080 495 K HN 0.179 nan 8.250 nan 0.000 0.441 496 I N 1.960 122.548 120.570 0.031 0.000 2.742 496 I HA -0.122 4.048 4.170 0.000 0.000 0.287 496 I C 0.500 176.616 176.117 -0.002 0.000 1.186 496 I CA 0.335 61.633 61.300 -0.003 0.000 1.417 496 I CB 0.048 38.039 38.000 -0.015 0.000 1.377 496 I HN 0.505 nan 8.210 nan 0.000 0.556 497 D N 8.173 128.556 120.400 -0.029 0.000 2.608 497 D HA 0.087 4.727 4.640 0.000 0.000 0.224 497 D C 1.311 177.589 176.300 -0.036 0.000 1.123 497 D CA -0.105 53.884 54.000 -0.019 0.000 1.030 497 D CB 0.403 41.185 40.800 -0.030 0.000 1.093 497 D HN 0.343 nan 8.370 nan 0.000 0.497 498 I N 1.475 122.040 120.570 -0.008 0.000 2.163 498 I HA -0.309 3.862 4.170 0.000 0.000 0.243 498 I C 2.123 178.203 176.117 -0.061 0.000 1.085 498 I CA 0.990 62.248 61.300 -0.070 0.000 1.347 498 I CB -0.486 37.451 38.000 -0.105 0.000 1.044 498 I HN 0.255 nan 8.210 nan 0.000 0.408 499 K N 0.673 121.100 120.400 0.044 0.000 2.034 499 K HA -0.183 4.137 4.320 0.000 0.000 0.214 499 K C 2.128 178.751 176.600 0.037 0.000 1.051 499 K CA 2.339 58.675 56.287 0.081 0.000 0.931 499 K CB -0.381 32.200 32.500 0.134 0.000 0.715 499 K HN 0.290 nan 8.250 nan 0.000 0.446 500 T N 1.410 115.969 114.554 0.009 0.000 2.788 500 T HA -0.067 4.283 4.350 0.000 0.000 0.268 500 T C 1.728 176.403 174.700 -0.041 0.000 1.044 500 T CA 0.913 63.008 62.100 -0.009 0.000 1.139 500 T CB -0.098 68.756 68.868 -0.024 0.000 0.867 500 T HN 0.106 nan 8.240 nan 0.000 0.454 501 L N 0.151 121.311 121.223 -0.105 0.000 2.056 501 L HA -0.014 4.326 4.340 0.000 0.000 0.207 501 L C 2.391 179.301 176.870 0.067 0.000 1.078 501 L CA 1.137 55.869 54.840 -0.180 0.000 0.749 501 L CB -0.490 41.340 42.059 -0.381 0.000 0.901 501 L HN 0.286 nan 8.230 nan 0.000 0.433 502 I N 0.045 120.631 120.570 0.027 0.000 2.142 502 I HA -0.321 3.849 4.170 0.000 0.000 0.240 502 I C 2.021 178.181 176.117 0.071 0.000 1.078 502 I CA 1.744 63.067 61.300 0.038 0.000 1.343 502 I CB -0.474 37.528 38.000 0.003 0.000 1.046 502 I HN 0.337 nan 8.210 nan 0.000 0.405 503 N N 0.540 119.284 118.700 0.075 0.000 2.137 503 N HA -0.214 4.526 4.740 0.000 0.000 0.190 503 N C 1.161 176.716 175.510 0.075 0.000 1.017 503 N CA 0.986 54.084 53.050 0.081 0.000 0.859 503 N CB -0.112 38.417 38.487 0.070 0.000 1.002 503 N HN 0.385 nan 8.380 nan 0.000 0.428 504 E N 0.059 120.308 120.200 0.082 0.000 2.438 504 E HA 0.008 4.358 4.350 0.000 0.000 0.192 504 E C 0.249 176.911 176.600 0.103 0.000 1.110 504 E CA 0.050 56.505 56.400 0.093 0.000 0.893 504 E CB 0.431 30.191 29.700 0.099 0.000 0.990 504 E HN 0.185 nan 8.360 nan 0.000 0.490 505 V N 0.163 120.122 119.914 0.076 0.000 3.392 505 V HA 0.111 4.231 4.120 0.000 0.000 0.294 505 V C -0.150 175.953 176.094 0.014 0.000 1.561 505 V CA -0.128 62.185 62.300 0.022 0.000 1.056 505 V CB 0.303 32.109 31.823 -0.029 0.000 0.882 505 V HN 0.175 nan 8.190 nan 0.000 0.440 506 N N 0.000 118.730 118.700 0.050 0.000 1.763 506 N HA 0.000 4.740 4.740 0.000 0.000 0.220 506 N CA 0.000 53.096 53.050 0.077 0.000 0.885 506 N CB 0.000 38.574 38.487 0.145 0.000 1.341 506 N HN 0.000 nan 8.380 nan 0.000 0.667