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 3ept_1_B DATA FIRST_RESID 2 DATA SEQUENCE NAPIETDVLI LGGGPVGMAL ALDLAHRQVG HLVVEQTDGT ITHPRVGTIG DATA SEQUENCE PRSMELFRRW GVAKQIRTAG WPGDHPLDAA WVTRVGGHEV YRIPLGTADT DATA SEQUENCE RATPEHTPEP DAICPQHWLA PLLAEAVGER LRTRSRLDSF EQRDDHVRAT DATA SEQUENCE ITDLRTGATR AVHARYLVAC DGASSPTRKA LGIDAPPRHR TQVFRNILFR DATA SEQUENCE APELRSLLGE RAALFFFLML SSSLRFPLRA LDGRGLYRLT VGVDDXXXXT DATA SEQUENCE MDSFELVRRA VAFDTEIEVL SDSEWHLTHR VADSFSAGRV FLTGDAAHTL DATA SEQUENCE SPSGGFGMNT GIGSAADLGW KLAATLRGWA GPGLLATYEE ERRPVAITSL DATA SEQUENCE EEANVNLRRT MDRELPPGLH DDGPRGERIR AAVAEKLERS GARREFDAPG DATA SEQUENCE IHFGHTYRSS IVCGEPXXXX ATGGWRPSAR PGARAPHAWL TPTTSTLDLF DATA SEQUENCE GRGFVLLSFG TTDGVEAVTR AFADRHVPLE TVTCHAPEIH ALYERAHVLV DATA SEQUENCE RPDGHVAWRG DHLPAELGGL VDKVRGAA 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.490 175.510 -0.033 0.000 1.280 2 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 2 N CB 0.000 38.479 38.487 -0.014 0.000 1.341 3 A N 0.554 123.346 122.820 -0.047 0.000 2.374 3 A HA 0.936 5.368 4.320 0.186 0.000 0.317 3 A C -3.064 174.456 177.584 -0.107 0.000 1.094 3 A CA -1.629 50.370 52.037 -0.063 0.000 0.765 3 A CB 1.216 20.185 19.000 -0.051 0.000 1.268 3 A HN 0.123 nan 8.150 nan 0.000 0.438 4 P HA 0.283 nan 4.420 nan 0.000 0.276 4 P C -0.803 176.359 177.300 -0.229 0.000 1.253 4 P CA 0.294 63.208 63.100 -0.311 0.000 0.766 4 P CB 0.306 31.684 31.700 -0.537 0.000 0.845 5 I N 4.301 124.760 120.570 -0.184 0.000 2.337 5 I HA 0.131 4.413 4.170 0.186 0.000 0.291 5 I C 0.949 177.015 176.117 -0.084 0.000 1.046 5 I CA -0.206 61.033 61.300 -0.102 0.000 1.324 5 I CB 0.437 38.400 38.000 -0.063 0.000 1.409 5 I HN 0.378 nan 8.210 nan 0.000 0.494 6 E N 4.772 124.942 120.200 -0.051 0.000 2.145 6 E HA 0.528 4.990 4.350 0.186 0.000 0.270 6 E C -0.824 175.782 176.600 0.011 0.000 0.906 6 E CA -0.699 55.705 56.400 0.007 0.000 0.761 6 E CB 2.279 31.987 29.700 0.013 0.000 1.116 6 E HN 0.381 nan 8.360 nan 0.000 0.408 7 T N 1.329 115.903 114.554 0.032 0.000 2.888 7 T HA 0.158 4.620 4.350 0.186 0.000 0.288 7 T C -0.019 174.712 174.700 0.051 0.000 1.063 7 T CA -0.467 61.650 62.100 0.030 0.000 1.010 7 T CB 1.755 70.636 68.868 0.020 0.000 1.214 7 T HN 0.437 nan 8.240 nan 0.000 0.533 8 D N 0.230 120.669 120.400 0.064 0.000 2.120 8 D HA 0.129 4.881 4.640 0.186 0.000 0.202 8 D C 0.242 176.619 176.300 0.128 0.000 0.972 8 D CA 1.222 55.275 54.000 0.089 0.000 0.837 8 D CB 0.241 41.097 40.800 0.095 0.000 0.989 8 D HN 0.263 nan 8.370 nan 0.000 0.469 9 V N 1.730 121.718 119.914 0.123 0.000 2.443 9 V HA 0.242 4.474 4.120 0.186 0.000 0.293 9 V C -0.697 175.458 176.094 0.102 0.000 1.021 9 V CA -0.945 61.429 62.300 0.124 0.000 0.848 9 V CB 2.182 34.051 31.823 0.076 0.000 0.998 9 V HN -0.029 nan 8.190 nan 0.000 0.424 10 L N 7.087 128.358 121.223 0.081 0.000 2.260 10 L HA 0.586 5.038 4.340 0.186 0.000 0.289 10 L C -0.366 176.522 176.870 0.030 0.000 1.057 10 L CA 0.380 55.252 54.840 0.053 0.000 0.811 10 L CB 0.651 42.739 42.059 0.048 0.000 1.184 10 L HN 0.553 nan 8.230 nan 0.000 0.429 11 I N 6.487 127.074 120.570 0.029 0.000 2.287 11 I HA 0.146 4.428 4.170 0.186 0.000 0.290 11 I C -0.441 175.670 176.117 -0.011 0.000 1.069 11 I CA -0.713 60.588 61.300 0.001 0.000 1.237 11 I CB 1.189 39.197 38.000 0.013 0.000 1.418 11 I HN 0.509 nan 8.210 nan 0.000 0.481 12 L N 8.121 129.323 121.223 -0.035 0.000 2.433 12 L HA 0.628 5.080 4.340 0.186 0.000 0.284 12 L C 0.328 177.177 176.870 -0.035 0.000 1.120 12 L CA 0.454 55.270 54.840 -0.041 0.000 0.879 12 L CB -0.341 41.669 42.059 -0.081 0.000 1.232 12 L HN 0.742 nan 8.230 nan 0.000 0.454 13 G N 2.822 111.611 108.800 -0.019 0.000 2.931 13 G HA2 0.222 4.293 3.960 0.186 0.000 0.675 13 G HA3 0.222 4.293 3.960 0.186 0.000 0.675 13 G C 0.045 174.941 174.900 -0.006 0.000 1.339 13 G CA -0.482 44.609 45.100 -0.015 0.000 0.866 13 G HN 0.951 nan 8.290 nan 0.000 0.616 14 G N 0.215 109.015 108.800 0.001 0.000 3.393 14 G HA2 0.614 4.686 3.960 0.186 0.000 0.255 14 G HA3 0.614 4.686 3.960 0.186 0.000 0.255 14 G C 1.038 175.946 174.900 0.013 0.000 1.097 14 G CA 1.070 46.175 45.100 0.008 0.000 0.780 14 G HN 1.391 nan 8.290 nan 0.000 0.540 15 G N 0.774 109.580 108.800 0.010 0.000 2.683 15 G HA2 0.341 4.412 3.960 0.186 0.000 0.260 15 G HA3 0.341 4.412 3.960 0.186 0.000 0.260 15 G C -0.852 174.068 174.900 0.032 0.000 1.238 15 G CA -0.616 44.494 45.100 0.017 0.000 0.934 15 G HN -0.019 nan 8.290 nan 0.000 0.534 16 P HA -0.133 nan 4.420 nan 0.000 0.215 16 P C 2.085 179.440 177.300 0.092 0.000 1.157 16 P CA 1.059 64.215 63.100 0.093 0.000 0.874 16 P CB 0.004 31.768 31.700 0.107 0.000 0.790 17 V N 0.042 119.992 119.914 0.061 0.000 2.237 17 V HA -0.186 4.045 4.120 0.186 0.000 0.245 17 V C 2.667 178.763 176.094 0.003 0.000 1.046 17 V CA 2.563 64.888 62.300 0.041 0.000 1.007 17 V CB -2.073 29.764 31.823 0.023 0.000 0.638 17 V HN 0.173 nan 8.190 nan 0.000 0.445 18 G N -0.541 108.253 108.800 -0.009 0.000 2.475 18 G HA2 -0.255 3.816 3.960 0.186 0.000 0.220 18 G HA3 -0.255 3.816 3.960 0.186 0.000 0.220 18 G C 1.513 176.396 174.900 -0.029 0.000 1.125 18 G CA 1.160 46.244 45.100 -0.027 0.000 0.755 18 G HN 0.329 nan 8.290 nan 0.000 0.565 19 M N 0.748 120.345 119.600 -0.004 0.000 2.193 19 M HA 0.189 4.781 4.480 0.186 0.000 0.265 19 M C 3.073 179.334 176.300 -0.064 0.000 1.071 19 M CA 1.099 56.395 55.300 -0.007 0.000 1.140 19 M CB -1.209 31.413 32.600 0.037 0.000 1.369 19 M HN 0.292 nan 8.290 nan 0.000 0.423 20 A N 0.726 123.531 122.820 -0.025 0.000 1.917 20 A HA -0.187 4.245 4.320 0.186 0.000 0.219 20 A C 2.309 179.673 177.584 -0.367 0.000 1.182 20 A CA 1.454 53.414 52.037 -0.127 0.000 0.633 20 A CB -1.090 17.942 19.000 0.053 0.000 0.819 20 A HN 0.474 nan 8.150 nan 0.000 0.448 21 L N -0.806 120.291 121.223 -0.209 0.000 1.989 21 L HA -0.229 4.223 4.340 0.186 0.000 0.211 21 L C 2.973 179.623 176.870 -0.366 0.000 1.071 21 L CA 1.712 56.407 54.840 -0.241 0.000 0.749 21 L CB -0.614 41.342 42.059 -0.172 0.000 0.890 21 L HN 0.454 nan 8.230 nan 0.000 0.431 22 A N -0.035 122.600 122.820 -0.309 0.000 1.892 22 A HA -0.261 4.171 4.320 0.186 0.000 0.218 22 A C 2.186 179.475 177.584 -0.490 0.000 1.188 22 A CA 1.868 53.660 52.037 -0.409 0.000 0.631 22 A CB -0.877 18.103 19.000 -0.032 0.000 0.822 22 A HN 0.505 nan 8.150 nan 0.000 0.447 23 L N -0.873 120.064 121.223 -0.478 0.000 2.012 23 L HA -0.252 4.199 4.340 0.186 0.000 0.210 23 L C 2.453 178.782 176.870 -0.903 0.000 1.073 23 L CA 2.070 56.521 54.840 -0.648 0.000 0.748 23 L CB -0.546 40.999 42.059 -0.856 0.000 0.891 23 L HN 0.571 nan 8.230 nan 0.000 0.431 24 D N -0.095 119.666 120.400 -1.065 0.000 2.084 24 D HA -0.187 4.564 4.640 0.186 0.000 0.196 24 D C 2.335 178.532 176.300 -0.172 0.000 0.985 24 D CA 1.079 54.794 54.000 -0.476 0.000 0.826 24 D CB -0.032 40.737 40.800 -0.051 0.000 0.978 24 D HN 0.151 nan 8.370 nan 0.000 0.456 25 L N 0.248 121.294 121.223 -0.295 0.000 2.089 25 L HA -0.252 4.199 4.340 0.186 0.000 0.213 25 L C 2.611 179.382 176.870 -0.165 0.000 1.079 25 L CA 1.270 55.951 54.840 -0.265 0.000 0.758 25 L CB -0.668 41.081 42.059 -0.518 0.000 0.891 25 L HN 0.142 nan 8.230 nan 0.000 0.433 26 A N -0.392 122.305 122.820 -0.204 0.000 1.865 26 A HA -0.272 4.160 4.320 0.186 0.000 0.217 26 A C 1.971 179.573 177.584 0.030 0.000 1.191 26 A CA 1.995 54.029 52.037 -0.004 0.000 0.623 26 A CB -0.916 18.096 19.000 0.019 0.000 0.826 26 A HN 0.450 nan 8.150 nan 0.000 0.444 27 H N -0.711 118.357 119.070 -0.003 0.000 2.518 27 H HA 0.043 4.711 4.556 0.186 0.000 0.289 27 H C 1.524 176.918 175.328 0.110 0.000 1.051 27 H CA 1.247 57.356 56.048 0.102 0.000 1.280 27 H CB -0.009 29.891 29.762 0.230 0.000 1.380 27 H HN 0.432 nan 8.280 nan 0.000 0.566 28 R N 1.096 121.709 120.500 0.187 0.000 2.426 28 R HA 0.025 4.477 4.340 0.186 0.000 0.263 28 R C -0.036 176.335 176.300 0.119 0.000 0.961 28 R CA 0.032 56.230 56.100 0.164 0.000 1.086 28 R CB 0.429 30.828 30.300 0.164 0.000 1.186 28 R HN 0.258 nan 8.270 nan 0.000 0.537 29 Q N -1.173 118.682 119.800 0.091 0.000 2.457 29 Q HA -0.154 4.298 4.340 0.186 0.000 0.283 29 Q C -0.491 175.560 176.000 0.086 0.000 1.234 29 Q CA 0.734 56.585 55.803 0.079 0.000 0.877 29 Q CB -2.639 26.147 28.738 0.080 0.000 1.250 29 Q HN 0.149 nan 8.270 nan 0.000 0.481 30 V N 0.341 120.305 119.914 0.084 0.000 2.407 30 V HA 0.572 4.804 4.120 0.186 0.000 0.278 30 V C 1.306 177.496 176.094 0.161 0.000 1.037 30 V CA -0.059 62.292 62.300 0.086 0.000 0.900 30 V CB 1.736 33.577 31.823 0.030 0.000 0.983 30 V HN 0.409 nan 8.190 nan 0.000 0.459 31 G N 5.241 114.116 108.800 0.125 0.000 2.299 31 G HA2 0.405 4.477 3.960 0.186 0.000 0.256 31 G HA3 0.405 4.477 3.960 0.186 0.000 0.256 31 G C -0.155 174.842 174.900 0.162 0.000 1.259 31 G CA 0.083 45.252 45.100 0.115 0.000 0.943 31 G HN 0.980 nan 8.290 nan 0.000 0.479 32 H N 0.690 119.757 119.070 -0.006 0.000 2.990 32 H HA 0.733 5.402 4.556 0.188 0.000 0.343 32 H C -1.939 173.381 175.328 -0.015 0.000 1.270 32 H CA -1.293 54.748 56.048 -0.012 0.000 1.118 32 H CB 1.875 31.618 29.762 -0.031 0.000 1.861 32 H HN 0.583 nan 8.280 nan 0.000 0.544 33 L N 1.204 122.379 121.223 -0.080 0.000 2.505 33 L HA 0.572 5.024 4.340 0.186 0.000 0.259 33 L C -1.741 175.126 176.870 -0.005 0.000 0.952 33 L CA -0.858 53.906 54.840 -0.126 0.000 0.840 33 L CB 2.124 44.138 42.059 -0.075 0.000 1.358 33 L HN 0.492 nan 8.230 nan 0.000 0.409 34 V N 4.445 124.354 119.914 -0.008 0.000 2.487 34 V HA 0.478 4.710 4.120 0.186 0.000 0.298 34 V C -0.341 175.754 176.094 0.002 0.000 1.028 34 V CA -0.629 61.684 62.300 0.021 0.000 0.860 34 V CB 1.860 33.709 31.823 0.043 0.000 0.991 34 V HN 0.526 nan 8.190 nan 0.000 0.427 35 V N 1.689 121.605 119.914 0.003 0.000 2.398 35 V HA 0.889 5.121 4.120 0.186 0.000 0.286 35 V C -0.582 175.514 176.094 0.002 0.000 1.026 35 V CA -0.553 61.748 62.300 0.001 0.000 0.868 35 V CB 1.588 33.413 31.823 0.004 0.000 0.982 35 V HN 0.883 nan 8.190 nan 0.000 0.443 36 E N 3.881 124.083 120.200 0.004 0.000 2.191 36 E HA 0.350 4.811 4.350 0.186 0.000 0.263 36 E C 0.838 177.442 176.600 0.007 0.000 0.881 36 E CA -0.335 56.068 56.400 0.005 0.000 0.757 36 E CB 2.245 31.949 29.700 0.007 0.000 1.147 36 E HN 0.851 nan 8.360 nan 0.000 0.414 37 Q N 2.705 122.510 119.800 0.008 0.000 2.020 37 Q HA -0.077 4.375 4.340 0.186 0.000 0.202 37 Q C 0.682 176.688 176.000 0.009 0.000 0.982 37 Q CA 1.464 57.272 55.803 0.009 0.000 0.838 37 Q CB -0.876 27.868 28.738 0.011 0.000 0.899 37 Q HN 0.601 nan 8.270 nan 0.000 0.423 38 T N 0.633 115.193 114.554 0.010 0.000 2.724 38 T HA -0.079 4.383 4.350 0.186 0.000 0.324 38 T C 0.905 175.612 174.700 0.012 0.000 1.071 38 T CA 0.035 62.142 62.100 0.012 0.000 1.061 38 T CB 0.590 69.466 68.868 0.013 0.000 0.990 38 T HN 0.481 nan 8.240 nan 0.000 0.543 39 D N -0.544 119.863 120.400 0.013 0.000 2.348 39 D HA 0.067 4.819 4.640 0.186 0.000 0.216 39 D C 1.508 177.816 176.300 0.014 0.000 0.970 39 D CA 0.946 54.953 54.000 0.012 0.000 0.889 39 D CB -0.751 40.056 40.800 0.012 0.000 0.912 39 D HN 1.224 nan 8.370 nan 0.000 0.524 40 G N -0.202 108.608 108.800 0.017 0.000 2.192 40 G HA2 -0.182 3.890 3.960 0.186 0.000 0.193 40 G HA3 -0.182 3.890 3.960 0.186 0.000 0.193 40 G C 0.314 175.231 174.900 0.028 0.000 0.999 40 G CA 0.222 45.335 45.100 0.020 0.000 0.659 40 G HN 0.725 nan 8.290 nan 0.000 0.503 41 T N -0.285 114.287 114.554 0.029 0.000 2.925 41 T HA 0.761 5.222 4.350 0.186 0.000 0.285 41 T C 0.093 174.815 174.700 0.037 0.000 1.021 41 T CA -1.007 61.116 62.100 0.039 0.000 1.042 41 T CB 2.372 71.262 68.868 0.036 0.000 1.037 41 T HN 0.293 nan 8.240 nan 0.000 0.481 42 I N 3.559 124.158 120.570 0.048 0.000 2.342 42 I HA 0.205 4.486 4.170 0.186 0.000 0.291 42 I C 1.806 177.929 176.117 0.009 0.000 1.010 42 I CA -0.443 60.879 61.300 0.037 0.000 1.308 42 I CB 0.728 38.762 38.000 0.056 0.000 1.400 42 I HN 1.084 nan 8.210 nan 0.000 0.488 43 T N 2.114 116.678 114.554 0.017 0.000 2.837 43 T HA -0.031 4.431 4.350 0.186 0.000 0.248 43 T C 0.797 175.501 174.700 0.007 0.000 1.033 43 T CA 0.699 62.806 62.100 0.012 0.000 1.150 43 T CB -0.047 68.845 68.868 0.039 0.000 0.865 43 T HN 0.576 nan 8.240 nan 0.000 0.425 44 H N 2.971 122.013 119.070 -0.047 0.000 2.673 44 H HA 0.473 5.141 4.556 0.186 0.000 0.293 44 H C -3.095 172.187 175.328 -0.078 0.000 1.065 44 H CA -2.654 53.356 56.048 -0.063 0.000 1.236 44 H CB 1.003 30.737 29.762 -0.046 0.000 1.389 44 H HN 0.150 nan 8.280 nan 0.000 0.481 45 P HA 0.103 nan 4.420 nan 0.000 0.262 45 P C 0.630 177.868 177.300 -0.103 0.000 1.199 45 P CA 0.136 63.156 63.100 -0.134 0.000 0.763 45 P CB 1.166 32.787 31.700 -0.131 0.000 0.790 46 R N 2.293 122.783 120.500 -0.016 0.000 2.038 46 R HA 0.101 4.553 4.340 0.186 0.000 0.214 46 R C 0.382 176.620 176.300 -0.104 0.000 1.249 46 R CA 0.342 56.414 56.100 -0.048 0.000 1.025 46 R CB -0.452 29.801 30.300 -0.079 0.000 0.911 46 R HN 0.400 nan 8.270 nan 0.000 0.456 47 V N -0.253 119.610 119.914 -0.084 0.000 2.673 47 V HA 0.308 4.539 4.120 0.186 0.000 0.303 47 V C 0.634 176.655 176.094 -0.123 0.000 1.046 47 V CA 0.643 62.895 62.300 -0.079 0.000 1.126 47 V CB 1.288 33.090 31.823 -0.034 0.000 0.934 47 V HN 0.520 nan 8.190 nan 0.000 0.487 48 G N 3.102 111.824 108.800 -0.129 0.000 2.633 48 G HA2 0.240 4.312 3.960 0.186 0.000 0.198 48 G HA3 0.240 4.312 3.960 0.186 0.000 0.198 48 G C 0.439 175.224 174.900 -0.191 0.000 1.198 48 G CA 0.441 45.418 45.100 -0.205 0.000 0.685 48 G HN 0.758 nan 8.290 nan 0.000 0.868 49 T N 2.086 116.581 114.554 -0.099 0.000 2.749 49 T HA 0.600 5.062 4.350 0.186 0.000 0.287 49 T C -0.369 174.322 174.700 -0.014 0.000 0.970 49 T CA -0.114 61.946 62.100 -0.065 0.000 0.980 49 T CB 2.007 70.889 68.868 0.023 0.000 0.924 49 T HN 0.052 nan 8.240 nan 0.000 0.456 50 I N 2.719 123.273 120.570 -0.027 0.000 2.321 50 I HA 0.370 4.652 4.170 0.186 0.000 0.291 50 I C 1.268 177.365 176.117 -0.034 0.000 0.998 50 I CA -0.819 60.496 61.300 0.026 0.000 1.227 50 I CB 1.067 39.109 38.000 0.070 0.000 1.368 50 I HN 0.716 nan 8.210 nan 0.000 0.466 51 G N 7.561 116.316 108.800 -0.075 0.000 2.353 51 G HA2 0.093 4.165 3.960 0.186 0.000 0.239 51 G HA3 0.093 4.165 3.960 0.186 0.000 0.239 51 G C -1.161 173.520 174.900 -0.365 0.000 1.295 51 G CA -0.750 44.133 45.100 -0.361 0.000 0.884 51 G HN 0.485 nan 8.290 nan 0.000 0.537 52 P HA -0.231 nan 4.420 nan 0.000 0.217 52 P C 1.620 178.786 177.300 -0.224 0.000 1.151 52 P CA 0.991 63.934 63.100 -0.261 0.000 0.849 52 P CB 0.300 31.889 31.700 -0.186 0.000 0.787 53 R N 0.531 120.764 120.500 -0.445 0.000 2.090 53 R HA 0.029 4.481 4.340 0.186 0.000 0.228 53 R C 2.298 178.471 176.300 -0.211 0.000 1.110 53 R CA 1.796 57.736 56.100 -0.266 0.000 0.973 53 R CB -1.442 28.660 30.300 -0.330 0.000 0.869 53 R HN 0.032 nan 8.270 nan 0.000 0.440 54 S N 0.090 115.662 115.700 -0.214 0.000 2.428 54 S HA -0.012 4.569 4.470 0.186 0.000 0.230 54 S C 1.593 176.084 174.600 -0.182 0.000 1.014 54 S CA 1.095 59.154 58.200 -0.236 0.000 0.957 54 S CB -0.073 63.068 63.200 -0.099 0.000 0.784 54 S HN 0.244 nan 8.310 nan 0.000 0.499 55 M N 1.281 120.867 119.600 -0.023 0.000 2.319 55 M HA 0.047 4.639 4.480 0.186 0.000 0.265 55 M C 1.765 178.061 176.300 -0.006 0.000 1.068 55 M CA 1.055 56.414 55.300 0.098 0.000 1.118 55 M CB -1.133 31.500 32.600 0.056 0.000 1.395 55 M HN 0.360 nan 8.290 nan 0.000 0.435 56 E N 0.201 120.341 120.200 -0.099 0.000 2.152 56 E HA -0.092 4.370 4.350 0.186 0.000 0.192 56 E C 2.147 178.583 176.600 -0.274 0.000 0.983 56 E CA 0.793 57.112 56.400 -0.134 0.000 0.818 56 E CB -0.043 29.602 29.700 -0.091 0.000 0.758 56 E HN 0.429 nan 8.360 nan 0.000 0.467 57 L N -0.122 120.832 121.223 -0.449 0.000 2.044 57 L HA -0.120 4.331 4.340 0.186 0.000 0.205 57 L C 2.150 178.481 176.870 -0.897 0.000 1.075 57 L CA 0.807 55.085 54.840 -0.936 0.000 0.747 57 L CB -0.266 41.066 42.059 -1.211 0.000 0.903 57 L HN 0.100 nan 8.230 nan 0.000 0.435 58 F N 0.100 119.854 119.950 -0.327 0.000 2.333 58 F HA -0.152 4.489 4.527 0.190 0.000 0.300 58 F C 2.697 178.470 175.800 -0.046 0.000 1.083 58 F CA 1.015 59.004 58.000 -0.018 0.000 1.395 58 F CB -0.633 38.407 39.000 0.068 0.000 1.056 58 F HN 0.023 nan 8.300 nan 0.000 0.529 59 R N 0.592 121.114 120.500 0.037 0.000 2.075 59 R HA -0.148 4.304 4.340 0.186 0.000 0.232 59 R C 2.514 178.799 176.300 -0.025 0.000 1.126 59 R CA 1.337 57.446 56.100 0.015 0.000 0.963 59 R CB -0.226 30.056 30.300 -0.031 0.000 0.858 59 R HN 0.197 nan 8.270 nan 0.000 0.435 60 R N -0.260 120.129 120.500 -0.186 0.000 2.066 60 R HA -0.125 4.327 4.340 0.186 0.000 0.232 60 R C 1.228 177.462 176.300 -0.110 0.000 1.131 60 R CA 1.424 57.396 56.100 -0.213 0.000 0.955 60 R CB -0.204 29.828 30.300 -0.445 0.000 0.851 60 R HN 0.327 nan 8.270 nan 0.000 0.432 61 W N 0.790 121.966 121.300 -0.206 0.000 3.077 61 W HA 0.254 5.024 4.660 0.184 0.000 0.245 61 W C 0.717 177.324 176.519 0.146 0.000 1.316 61 W CA 0.720 57.897 57.345 -0.280 0.000 1.537 61 W CB -0.911 28.474 29.460 -0.126 0.000 1.131 61 W HN 0.465 nan 8.180 nan 0.000 0.695 62 G N 1.344 110.328 108.800 0.307 0.000 2.350 62 G HA2 -0.163 3.909 3.960 0.186 0.000 0.298 62 G HA3 -0.163 3.909 3.960 0.186 0.000 0.298 62 G C 0.277 175.295 174.900 0.198 0.000 1.037 62 G CA 0.560 45.802 45.100 0.236 0.000 1.074 62 G HN 0.707 nan 8.290 nan 0.000 0.511 63 V N -4.646 115.381 119.914 0.189 0.000 3.415 63 V HA 0.729 4.961 4.120 0.186 0.000 0.315 63 V C 1.715 177.813 176.094 0.007 0.000 1.516 63 V CA 0.878 63.225 62.300 0.080 0.000 1.122 63 V CB -0.260 31.590 31.823 0.045 0.000 0.988 63 V HN 1.274 nan 8.190 nan 0.000 0.474 64 A N 1.569 124.435 122.820 0.076 0.000 1.854 64 A HA 0.080 4.511 4.320 0.186 0.000 0.214 64 A C 2.386 179.985 177.584 0.025 0.000 1.192 64 A CA 2.676 54.748 52.037 0.058 0.000 0.611 64 A CB -0.774 18.284 19.000 0.097 0.000 0.832 64 A HN 0.848 nan 8.150 nan 0.000 0.442 65 K N -0.082 120.338 120.400 0.034 0.000 2.059 65 K HA -0.293 4.138 4.320 0.186 0.000 0.212 65 K C 2.001 178.604 176.600 0.004 0.000 1.050 65 K CA 2.288 58.589 56.287 0.024 0.000 0.927 65 K CB -1.209 31.307 32.500 0.027 0.000 0.714 65 K HN 0.801 nan 8.250 nan 0.000 0.447 66 Q N -0.224 119.572 119.800 -0.008 0.000 2.030 66 Q HA -0.032 4.419 4.340 0.186 0.000 0.204 66 Q C 2.371 178.348 176.000 -0.038 0.000 0.986 66 Q CA 1.760 57.546 55.803 -0.030 0.000 0.843 66 Q CB -0.416 28.300 28.738 -0.037 0.000 0.904 66 Q HN 0.627 nan 8.270 nan 0.000 0.420 67 I N 0.705 121.239 120.570 -0.060 0.000 2.194 67 I HA -0.310 3.971 4.170 0.186 0.000 0.246 67 I C 2.450 178.570 176.117 0.006 0.000 1.093 67 I CA 1.347 62.612 61.300 -0.058 0.000 1.355 67 I CB -0.371 37.552 38.000 -0.127 0.000 1.046 67 I HN 0.215 nan 8.210 nan 0.000 0.413 68 R N 0.252 120.761 120.500 0.015 0.000 2.096 68 R HA -0.117 4.335 4.340 0.186 0.000 0.235 68 R C 1.708 178.046 176.300 0.063 0.000 1.127 68 R CA 1.877 58.006 56.100 0.049 0.000 0.968 68 R CB -0.529 29.798 30.300 0.045 0.000 0.861 68 R HN 0.473 nan 8.270 nan 0.000 0.440 69 T N -2.849 111.718 114.554 0.022 0.000 3.251 69 T HA 0.392 4.854 4.350 0.186 0.000 0.259 69 T C 1.174 175.836 174.700 -0.063 0.000 0.998 69 T CA 0.133 62.228 62.100 -0.008 0.000 0.905 69 T CB 0.961 69.814 68.868 -0.024 0.000 1.067 69 T HN 0.116 nan 8.240 nan 0.000 0.569 70 A N 0.693 123.492 122.820 -0.035 0.000 2.167 70 A HA 0.622 5.053 4.320 0.186 0.000 0.214 70 A C 1.967 179.281 177.584 -0.449 0.000 1.151 70 A CA 0.625 52.582 52.037 -0.133 0.000 0.735 70 A CB -0.638 18.399 19.000 0.061 0.000 0.802 70 A HN 1.214 nan 8.150 nan 0.000 0.467 71 G N -3.115 105.536 108.800 -0.247 0.000 2.613 71 G HA2 -0.157 3.915 3.960 0.186 0.000 0.199 71 G HA3 -0.157 3.915 3.960 0.186 0.000 0.199 71 G C -0.011 174.997 174.900 0.181 0.000 0.991 71 G CA -0.126 44.710 45.100 -0.441 0.000 0.756 71 G HN 0.554 nan 8.290 nan 0.000 0.515 72 W N 3.256 124.732 121.300 0.293 0.000 2.381 72 W HA 0.494 5.267 4.660 0.188 0.000 0.321 72 W C -2.290 174.278 176.519 0.082 0.000 1.407 72 W CA -1.537 55.928 57.345 0.201 0.000 1.274 72 W CB 0.515 30.029 29.460 0.090 0.000 1.310 72 W HN 0.034 nan 8.180 nan 0.000 0.551 73 P HA -0.034 nan 4.420 nan 0.000 0.258 73 P C 0.994 178.092 177.300 -0.338 0.000 1.172 73 P CA 0.829 63.666 63.100 -0.439 0.000 0.762 73 P CB 0.423 31.841 31.700 -0.470 0.000 0.764 74 G N 3.378 112.123 108.800 -0.092 0.000 2.450 74 G HA2 -0.242 3.830 3.960 0.186 0.000 0.220 74 G HA3 -0.242 3.830 3.960 0.186 0.000 0.220 74 G C 0.840 175.754 174.900 0.023 0.000 1.130 74 G CA 0.693 45.808 45.100 0.025 0.000 0.760 74 G HN 0.557 nan 8.290 nan 0.000 0.557 75 D N -1.270 119.106 120.400 -0.040 0.000 2.339 75 D HA -0.009 4.743 4.640 0.186 0.000 0.217 75 D C 0.757 177.032 176.300 -0.042 0.000 1.050 75 D CA -0.473 53.510 54.000 -0.028 0.000 0.856 75 D CB -0.562 40.208 40.800 -0.049 0.000 0.922 75 D HN 0.259 nan 8.370 nan 0.000 0.518 76 H N 1.452 120.396 119.070 -0.210 0.000 2.764 76 H HA 0.235 4.903 4.556 0.186 0.000 0.341 76 H C -2.288 173.054 175.328 0.024 0.000 1.072 76 H CA -1.632 54.275 56.048 -0.236 0.000 1.444 76 H CB 0.838 30.150 29.762 -0.750 0.000 1.458 76 H HN -0.073 nan 8.280 nan 0.000 0.572 77 P HA -0.006 nan 4.420 nan 0.000 0.269 77 P C 0.297 177.848 177.300 0.418 0.000 1.217 77 P CA 0.212 63.437 63.100 0.208 0.000 0.783 77 P CB 0.754 32.480 31.700 0.043 0.000 0.898 78 L N -0.322 121.044 121.223 0.239 0.000 2.906 78 L HA 0.247 4.698 4.340 0.186 0.000 0.255 78 L C 0.071 176.982 176.870 0.068 0.000 1.166 78 L CA -0.193 54.759 54.840 0.186 0.000 0.977 78 L CB -0.120 42.028 42.059 0.148 0.000 1.313 78 L HN 0.250 nan 8.230 nan 0.000 0.549 79 D N 1.756 122.174 120.400 0.030 0.000 2.390 79 D HA 0.285 5.036 4.640 0.186 0.000 0.236 79 D C 0.331 176.538 176.300 -0.155 0.000 1.189 79 D CA 0.563 54.520 54.000 -0.070 0.000 0.887 79 D CB 0.939 41.701 40.800 -0.064 0.000 1.198 79 D HN 0.157 nan 8.370 nan 0.000 0.444 80 A N 0.765 123.436 122.820 -0.248 0.000 2.363 80 A HA 0.685 5.117 4.320 0.186 0.000 0.296 80 A C -0.680 176.782 177.584 -0.203 0.000 1.237 80 A CA -0.571 51.263 52.037 -0.339 0.000 0.773 80 A CB 0.877 19.384 19.000 -0.822 0.000 1.153 80 A HN 0.528 nan 8.150 nan 0.000 0.473 81 A N 2.454 125.130 122.820 -0.240 0.000 2.355 81 A HA 0.748 5.180 4.320 0.186 0.000 0.324 81 A C -0.875 176.790 177.584 0.135 0.000 1.117 81 A CA -0.492 51.572 52.037 0.045 0.000 0.785 81 A CB 0.890 19.921 19.000 0.052 0.000 1.254 81 A HN 0.841 nan 8.150 nan 0.000 0.453 82 W N 2.792 124.238 121.300 0.243 0.000 2.294 82 W HA 0.497 5.268 4.660 0.185 0.000 0.314 82 W C -0.522 176.176 176.519 0.299 0.000 1.044 82 W CA -0.351 57.182 57.345 0.312 0.000 1.284 82 W CB 1.770 31.385 29.460 0.257 0.000 1.231 82 W HN 0.745 nan 8.180 nan 0.000 0.419 83 V N 0.315 120.486 119.914 0.430 0.000 3.001 83 V HA 0.491 4.723 4.120 0.186 0.000 0.314 83 V C 0.852 177.080 176.094 0.224 0.000 1.099 83 V CA -0.606 61.879 62.300 0.308 0.000 0.989 83 V CB 1.488 33.457 31.823 0.244 0.000 1.040 83 V HN 0.579 nan 8.190 nan 0.000 0.434 84 T N -0.735 113.918 114.554 0.165 0.000 2.904 84 T HA 0.135 4.597 4.350 0.186 0.000 0.267 84 T C 0.766 175.440 174.700 -0.043 0.000 1.059 84 T CA 1.227 63.385 62.100 0.096 0.000 1.137 84 T CB -0.147 68.748 68.868 0.044 0.000 0.879 84 T HN 0.883 nan 8.240 nan 0.000 0.467 85 R N -0.205 120.251 120.500 -0.072 0.000 2.579 85 R HA 0.458 4.910 4.340 0.186 0.000 0.260 85 R C -1.876 174.313 176.300 -0.186 0.000 1.103 85 R CA -0.570 55.444 56.100 -0.144 0.000 0.942 85 R CB 1.882 32.049 30.300 -0.222 0.000 1.251 85 R HN 0.059 nan 8.270 nan 0.000 0.450 86 V N 4.341 124.104 119.914 -0.251 0.000 2.452 86 V HA 0.241 4.473 4.120 0.186 0.000 0.286 86 V C 1.332 177.234 176.094 -0.321 0.000 0.995 86 V CA 1.972 63.999 62.300 -0.455 0.000 1.116 86 V CB 0.674 32.162 31.823 -0.559 0.000 0.954 86 V HN 1.091 nan 8.190 nan 0.000 0.473 87 G N 3.504 112.143 108.800 -0.270 0.000 2.144 87 G HA2 -0.103 3.969 3.960 0.186 0.000 0.218 87 G HA3 -0.103 3.969 3.960 0.186 0.000 0.218 87 G C 0.379 175.025 174.900 -0.423 0.000 0.988 87 G CA 0.056 44.960 45.100 -0.325 0.000 0.659 87 G HN 1.233 nan 8.290 nan 0.000 0.522 88 G N -1.235 107.397 108.800 -0.280 0.000 3.175 88 G HA2 0.563 4.635 3.960 0.186 0.000 0.153 88 G HA3 0.563 4.635 3.960 0.186 0.000 0.153 88 G C -0.457 174.342 174.900 -0.169 0.000 1.216 88 G CA -0.633 44.284 45.100 -0.304 0.000 0.943 88 G HN 0.431 nan 8.290 nan 0.000 0.611 89 H N 0.918 119.961 119.070 -0.044 0.000 3.015 89 H HA 0.254 4.921 4.556 0.186 0.000 0.268 89 H C -0.025 175.355 175.328 0.087 0.000 1.113 89 H CA -0.038 56.025 56.048 0.024 0.000 1.479 89 H CB 0.820 30.603 29.762 0.034 0.000 1.493 89 H HN 0.427 nan 8.280 nan 0.000 0.486 90 E N 3.361 123.708 120.200 0.246 0.000 2.290 90 E HA 0.032 4.493 4.350 0.186 0.000 0.277 90 E C 0.018 176.768 176.600 0.250 0.000 1.035 90 E CA -0.320 56.232 56.400 0.253 0.000 0.873 90 E CB 0.825 30.667 29.700 0.236 0.000 1.029 90 E HN 0.434 nan 8.360 nan 0.000 0.419 91 V N 4.928 125.021 119.914 0.299 0.000 2.581 91 V HA 0.076 4.307 4.120 0.186 0.000 0.240 91 V C -0.306 175.987 176.094 0.333 0.000 1.054 91 V CA 0.507 62.972 62.300 0.275 0.000 1.076 91 V CB -0.033 31.961 31.823 0.285 0.000 0.748 91 V HN 0.705 nan 8.190 nan 0.000 0.474 92 Y N 0.355 120.798 120.300 0.238 0.000 2.552 92 Y HA 0.682 5.344 4.550 0.186 0.000 0.337 92 Y C -0.771 175.323 175.900 0.325 0.000 1.094 92 Y CA -1.933 56.268 58.100 0.169 0.000 1.028 92 Y CB 1.401 39.838 38.460 -0.038 0.000 1.321 92 Y HN 0.089 nan 8.280 nan 0.000 0.456 93 R N 6.098 126.389 120.500 -0.348 0.000 2.548 93 R HA 0.630 5.081 4.340 0.186 0.000 0.280 93 R C -2.042 173.992 176.300 -0.442 0.000 1.061 93 R CA -0.620 55.334 56.100 -0.244 0.000 0.915 93 R CB 1.304 31.592 30.300 -0.021 0.000 1.210 93 R HN 0.786 nan 8.270 nan 0.000 0.442 94 I N 6.403 126.817 120.570 -0.259 0.000 2.337 94 I HA 0.316 4.598 4.170 0.186 0.000 0.285 94 I C -1.987 174.078 176.117 -0.088 0.000 1.041 94 I CA -2.219 58.980 61.300 -0.169 0.000 1.199 94 I CB 1.628 39.588 38.000 -0.066 0.000 1.370 94 I HN 0.336 nan 8.210 nan 0.000 0.470 95 P HA 0.166 nan 4.420 nan 0.000 0.276 95 P C -0.203 177.103 177.300 0.010 0.000 1.235 95 P CA -0.070 63.024 63.100 -0.011 0.000 0.772 95 P CB 1.398 33.104 31.700 0.009 0.000 0.871 96 L N 2.384 123.618 121.223 0.018 0.000 3.289 96 L HA 0.320 4.771 4.340 0.186 0.000 0.291 96 L C 1.347 178.260 176.870 0.070 0.000 1.279 96 L CA -0.338 54.529 54.840 0.045 0.000 1.025 96 L CB 0.037 42.116 42.059 0.033 0.000 1.413 96 L HN 0.613 nan 8.230 nan 0.000 0.593 97 G N 1.491 110.330 108.800 0.065 0.000 2.591 97 G HA2 -0.298 3.774 3.960 0.186 0.000 0.278 97 G HA3 -0.298 3.774 3.960 0.186 0.000 0.278 97 G C 0.042 175.006 174.900 0.108 0.000 1.293 97 G CA 0.229 45.375 45.100 0.076 0.000 0.930 97 G HN 0.411 nan 8.290 nan 0.000 0.562 98 T N -3.741 110.881 114.554 0.113 0.000 2.916 98 T HA 0.839 5.300 4.350 0.186 0.000 0.292 98 T C 1.497 176.294 174.700 0.161 0.000 1.064 98 T CA 0.576 62.771 62.100 0.159 0.000 1.011 98 T CB 1.597 70.537 68.868 0.119 0.000 1.152 98 T HN 2.248 nan 8.240 nan 0.000 0.510 99 A N 1.362 124.317 122.820 0.225 0.000 1.870 99 A HA -0.160 4.272 4.320 0.186 0.000 0.219 99 A C 1.797 179.457 177.584 0.126 0.000 1.224 99 A CA 2.259 54.411 52.037 0.192 0.000 0.650 99 A CB -1.347 17.814 19.000 0.268 0.000 0.836 99 A HN 0.908 nan 8.150 nan 0.000 0.454 100 D N -1.710 118.754 120.400 0.107 0.000 2.392 100 D HA -0.004 4.748 4.640 0.186 0.000 0.228 100 D C 1.411 177.747 176.300 0.060 0.000 1.003 100 D CA 1.371 55.413 54.000 0.070 0.000 0.917 100 D CB -0.030 40.799 40.800 0.049 0.000 0.890 100 D HN 0.456 nan 8.370 nan 0.000 0.532 101 T N -0.569 114.027 114.554 0.071 0.000 2.987 101 T HA 0.035 4.497 4.350 0.186 0.000 0.248 101 T C 0.664 175.402 174.700 0.064 0.000 0.997 101 T CA -0.418 61.717 62.100 0.059 0.000 1.013 101 T CB 0.774 69.675 68.868 0.055 0.000 1.077 101 T HN 0.204 nan 8.240 nan 0.000 0.483 102 R N 1.555 122.102 120.500 0.078 0.000 2.679 102 R HA 0.575 5.027 4.340 0.186 0.000 0.268 102 R C 0.112 176.459 176.300 0.078 0.000 1.044 102 R CA -0.181 55.968 56.100 0.080 0.000 1.105 102 R CB 0.257 30.612 30.300 0.092 0.000 0.989 102 R HN 0.118 nan 8.270 nan 0.000 0.447 103 A N 2.979 125.847 122.820 0.080 0.000 2.548 103 A HA 0.094 4.526 4.320 0.186 0.000 0.247 103 A C 0.698 178.339 177.584 0.095 0.000 1.067 103 A CA 0.224 52.310 52.037 0.081 0.000 0.757 103 A CB -0.190 18.860 19.000 0.084 0.000 0.996 103 A HN 0.865 nan 8.150 nan 0.000 0.504 104 T N 2.454 117.062 114.554 0.091 0.000 2.908 104 T HA 0.326 4.788 4.350 0.186 0.000 0.325 104 T C -1.197 173.579 174.700 0.128 0.000 1.092 104 T CA -0.510 61.652 62.100 0.103 0.000 1.125 104 T CB -0.157 68.771 68.868 0.101 0.000 1.016 104 T HN 0.648 nan 8.240 nan 0.000 0.550 105 P HA 0.243 nan 4.420 nan 0.000 0.296 105 P C 0.370 177.777 177.300 0.177 0.000 1.295 105 P CA -0.055 63.117 63.100 0.120 0.000 0.754 105 P CB 0.652 32.349 31.700 -0.004 0.000 1.311 106 E N -1.972 118.352 120.200 0.205 0.000 2.820 106 E HA -0.049 4.413 4.350 0.186 0.000 0.210 106 E C 1.304 178.085 176.600 0.301 0.000 1.005 106 E CA 0.278 56.854 56.400 0.292 0.000 1.678 106 E CB -0.299 29.573 29.700 0.286 0.000 2.013 106 E HN 0.595 nan 8.360 nan 0.000 1.011 107 H N 0.161 119.285 119.070 0.090 0.000 2.524 107 H HA 0.309 4.976 4.556 0.185 0.000 0.280 107 H C -0.013 175.233 175.328 -0.137 0.000 1.018 107 H CA 0.656 56.710 56.048 0.009 0.000 1.165 107 H CB -0.044 29.729 29.762 0.018 0.000 1.411 107 H HN -0.012 nan 8.280 nan 0.000 0.569 108 T N 0.759 115.096 114.554 -0.363 0.000 2.957 108 T HA 0.199 4.661 4.350 0.186 0.000 0.336 108 T C -2.644 171.704 174.700 -0.586 0.000 1.462 108 T CA -1.080 60.681 62.100 -0.566 0.000 1.073 108 T CB 2.431 71.011 68.868 -0.480 0.000 1.319 108 T HN -0.047 nan 8.240 nan 0.000 0.485 109 P HA 0.284 nan 4.420 nan 0.000 0.251 109 P C -0.279 176.965 177.300 -0.093 0.000 1.223 109 P CA 0.248 63.111 63.100 -0.397 0.000 0.796 109 P CB 0.462 31.810 31.700 -0.587 0.000 1.068 110 E N 1.903 122.038 120.200 -0.107 0.000 2.255 110 E HA 0.302 4.764 4.350 0.186 0.000 0.245 110 E C -2.490 174.112 176.600 0.004 0.000 0.909 110 E CA -2.252 54.136 56.400 -0.020 0.000 0.747 110 E CB 1.739 31.428 29.700 -0.018 0.000 1.215 110 E HN 0.301 nan 8.360 nan 0.000 0.424 111 P HA -0.015 nan 4.420 nan 0.000 0.272 111 P C -0.044 177.261 177.300 0.008 0.000 1.223 111 P CA -0.332 62.785 63.100 0.030 0.000 0.784 111 P CB 0.875 32.606 31.700 0.051 0.000 0.923 112 D N 0.738 121.129 120.400 -0.014 0.000 2.478 112 D HA 0.123 4.875 4.640 0.186 0.000 0.234 112 D C -0.385 175.894 176.300 -0.035 0.000 1.154 112 D CA -0.008 53.960 54.000 -0.053 0.000 0.874 112 D CB 0.408 41.169 40.800 -0.065 0.000 1.198 112 D HN 0.405 nan 8.370 nan 0.000 0.455 113 A N 2.203 124.994 122.820 -0.049 0.000 2.350 113 A HA 0.657 5.088 4.320 0.186 0.000 0.318 113 A C -0.208 177.283 177.584 -0.156 0.000 1.132 113 A CA -0.969 51.027 52.037 -0.069 0.000 0.811 113 A CB 1.190 20.176 19.000 -0.022 0.000 1.313 113 A HN 0.611 nan 8.150 nan 0.000 0.454 114 I N 0.296 120.701 120.570 -0.274 0.000 2.378 114 I HA 0.464 4.746 4.170 0.186 0.000 0.291 114 I C -0.762 175.203 176.117 -0.254 0.000 0.992 114 I CA -0.232 60.791 61.300 -0.463 0.000 1.154 114 I CB 1.654 38.964 38.000 -1.150 0.000 1.315 114 I HN 0.594 nan 8.210 nan 0.000 0.448 115 C N 9.212 128.382 119.300 -0.217 0.000 3.309 115 C HA 0.333 4.905 4.460 0.186 0.000 0.335 115 C C -2.596 172.251 174.990 -0.238 0.000 1.018 115 C CA -1.471 57.482 59.018 -0.108 0.000 1.326 115 C CB 0.504 28.230 27.740 -0.025 0.000 1.752 115 C HN 0.529 nan 8.230 nan 0.000 0.567 116 P HA -0.074 nan 4.420 nan 0.000 0.264 116 P C 0.743 177.784 177.300 -0.431 0.000 1.173 116 P CA 0.976 63.763 63.100 -0.522 0.000 0.761 116 P CB 0.696 31.899 31.700 -0.827 0.000 0.794 117 Q N 2.474 122.132 119.800 -0.236 0.000 2.133 117 Q HA -0.266 4.186 4.340 0.186 0.000 0.208 117 Q C 2.094 178.042 176.000 -0.087 0.000 0.991 117 Q CA 1.937 57.669 55.803 -0.119 0.000 0.867 117 Q CB -0.327 28.377 28.738 -0.056 0.000 0.911 117 Q HN 0.633 nan 8.270 nan 0.000 0.417 118 H N -2.507 116.469 119.070 -0.155 0.000 2.491 118 H HA -0.136 4.531 4.556 0.186 0.000 0.290 118 H C 0.891 176.286 175.328 0.112 0.000 1.050 118 H CA 1.081 57.096 56.048 -0.055 0.000 1.309 118 H CB -0.422 29.290 29.762 -0.084 0.000 1.392 118 H HN 0.429 nan 8.280 nan 0.000 0.554 119 W N 0.647 121.667 121.300 -0.467 0.000 2.704 119 W HA 0.146 4.917 4.660 0.186 0.000 0.266 119 W C 2.226 178.641 176.519 -0.175 0.000 1.266 119 W CA -0.424 56.748 57.345 -0.289 0.000 1.377 119 W CB -0.788 28.482 29.460 -0.317 0.000 1.082 119 W HN 0.205 nan 8.180 nan 0.000 0.608 120 L N 1.575 122.814 121.223 0.027 0.000 2.023 120 L HA 0.028 4.480 4.340 0.186 0.000 0.205 120 L C 2.486 179.350 176.870 -0.009 0.000 1.073 120 L CA 2.711 57.540 54.840 -0.019 0.000 0.745 120 L CB -1.323 40.705 42.059 -0.052 0.000 0.900 120 L HN -0.115 nan 8.230 nan 0.000 0.435 121 A N 0.294 123.120 122.820 0.011 0.000 1.881 121 A HA -0.231 4.201 4.320 0.186 0.000 0.219 121 A C 0.201 177.800 177.584 0.025 0.000 1.215 121 A CA 2.616 54.667 52.037 0.024 0.000 0.648 121 A CB -2.330 16.694 19.000 0.040 0.000 0.832 121 A HN 0.469 nan 8.150 nan 0.000 0.455 122 P HA -0.150 nan 4.420 nan 0.000 0.214 122 P C 1.557 178.862 177.300 0.008 0.000 1.163 122 P CA 0.951 64.069 63.100 0.030 0.000 0.889 122 P CB -0.126 31.602 31.700 0.046 0.000 0.790 123 L N -1.299 119.921 121.223 -0.005 0.000 1.997 123 L HA -0.215 4.237 4.340 0.186 0.000 0.216 123 L C 2.440 179.293 176.870 -0.029 0.000 1.074 123 L CA 1.896 56.718 54.840 -0.030 0.000 0.763 123 L CB -1.449 40.573 42.059 -0.062 0.000 0.890 123 L HN -0.083 nan 8.230 nan 0.000 0.434 124 L N -1.717 119.488 121.223 -0.030 0.000 2.027 124 L HA -0.199 4.253 4.340 0.186 0.000 0.206 124 L C 2.665 179.542 176.870 0.013 0.000 1.074 124 L CA 1.199 56.035 54.840 -0.006 0.000 0.745 124 L CB -0.978 41.089 42.059 0.013 0.000 0.898 124 L HN 0.296 nan 8.230 nan 0.000 0.433 125 A N -0.055 122.773 122.820 0.013 0.000 1.927 125 A HA -0.329 4.103 4.320 0.186 0.000 0.220 125 A C 2.244 179.836 177.584 0.013 0.000 1.185 125 A CA 2.346 54.392 52.037 0.015 0.000 0.639 125 A CB -0.664 18.345 19.000 0.015 0.000 0.820 125 A HN 0.522 nan 8.150 nan 0.000 0.451 126 E N -0.525 119.680 120.200 0.009 0.000 2.007 126 E HA -0.111 4.351 4.350 0.186 0.000 0.194 126 E C 2.267 178.878 176.600 0.018 0.000 0.999 126 E CA 1.148 57.553 56.400 0.009 0.000 0.811 126 E CB -0.336 29.366 29.700 0.003 0.000 0.762 126 E HN 0.529 nan 8.360 nan 0.000 0.450 127 A N 0.454 123.289 122.820 0.026 0.000 1.958 127 A HA -0.212 4.219 4.320 0.186 0.000 0.221 127 A C 2.393 180.004 177.584 0.044 0.000 1.178 127 A CA 1.851 53.916 52.037 0.047 0.000 0.642 127 A CB -0.805 18.237 19.000 0.071 0.000 0.816 127 A HN 0.268 nan 8.150 nan 0.000 0.453 128 V N -1.046 118.890 119.914 0.037 0.000 2.667 128 V HA 0.157 4.389 4.120 0.186 0.000 0.252 128 V C 1.932 178.042 176.094 0.027 0.000 1.065 128 V CA 1.021 63.348 62.300 0.045 0.000 1.083 128 V CB -1.827 30.023 31.823 0.045 0.000 0.692 128 V HN 1.160 nan 8.190 nan 0.000 0.468 129 G N 0.492 109.301 108.800 0.014 0.000 2.564 129 G HA2 -0.406 3.665 3.960 0.186 0.000 0.273 129 G HA3 -0.406 3.665 3.960 0.186 0.000 0.273 129 G C 0.998 175.889 174.900 -0.015 0.000 1.242 129 G CA 0.509 45.609 45.100 -0.000 0.000 0.951 129 G HN 0.318 nan 8.290 nan 0.000 0.564 130 E N 0.476 120.661 120.200 -0.026 0.000 2.130 130 E HA -0.198 4.263 4.350 0.186 0.000 0.196 130 E C 2.571 179.136 176.600 -0.058 0.000 0.998 130 E CA 1.915 58.293 56.400 -0.037 0.000 0.806 130 E CB -0.204 29.473 29.700 -0.039 0.000 0.738 130 E HN 0.452 nan 8.360 nan 0.000 0.459 131 R N 0.041 120.486 120.500 -0.090 0.000 2.355 131 R HA -0.034 4.418 4.340 0.186 0.000 0.219 131 R C 0.558 176.804 176.300 -0.090 0.000 1.107 131 R CA 0.159 56.167 56.100 -0.152 0.000 1.021 131 R CB -0.492 29.609 30.300 -0.333 0.000 0.852 131 R HN 0.070 nan 8.270 nan 0.000 0.475 132 L N 1.187 122.385 121.223 -0.041 0.000 2.264 132 L HA 0.306 4.757 4.340 0.186 0.000 0.289 132 L C -0.752 176.108 176.870 -0.017 0.000 1.044 132 L CA -0.339 54.490 54.840 -0.017 0.000 0.807 132 L CB 0.951 43.011 42.059 0.000 0.000 1.192 132 L HN -0.116 nan 8.230 nan 0.000 0.425 133 R N 3.839 124.330 120.500 -0.014 0.000 2.278 133 R HA 0.353 4.805 4.340 0.186 0.000 0.322 133 R C -0.289 176.009 176.300 -0.003 0.000 1.058 133 R CA -0.360 55.733 56.100 -0.011 0.000 0.991 133 R CB 0.236 30.528 30.300 -0.013 0.000 1.140 133 R HN 0.791 nan 8.270 nan 0.000 0.518 134 T N -0.951 113.603 114.554 -0.001 0.000 2.882 134 T HA 0.297 4.758 4.350 0.186 0.000 0.287 134 T C 0.665 175.367 174.700 0.003 0.000 1.014 134 T CA -0.768 61.334 62.100 0.003 0.000 1.049 134 T CB 1.255 70.126 68.868 0.005 0.000 1.001 134 T HN 0.601 nan 8.240 nan 0.000 0.525 135 R N -0.104 120.399 120.500 0.006 0.000 3.422 135 R HA -0.131 4.321 4.340 0.186 0.000 0.267 135 R C -0.859 175.445 176.300 0.005 0.000 1.074 135 R CA 0.444 56.548 56.100 0.006 0.000 0.718 135 R CB -2.058 28.245 30.300 0.005 0.000 1.157 135 R HN 0.752 nan 8.270 nan 0.000 0.440 136 S N 0.183 115.886 115.700 0.006 0.000 2.659 136 S HA 0.402 4.983 4.470 0.186 0.000 0.312 136 S C -0.325 174.281 174.600 0.011 0.000 1.114 136 S CA -0.851 57.353 58.200 0.007 0.000 1.063 136 S CB 2.321 65.523 63.200 0.004 0.000 0.996 136 S HN 0.316 nan 8.310 nan 0.000 0.478 137 R N 2.807 123.316 120.500 0.015 0.000 2.514 137 R HA 0.519 4.971 4.340 0.186 0.000 0.301 137 R C -1.247 175.070 176.300 0.028 0.000 0.962 137 R CA -0.826 55.286 56.100 0.019 0.000 0.882 137 R CB 0.704 31.016 30.300 0.019 0.000 1.143 137 R HN 0.517 nan 8.270 nan 0.000 0.452 138 L N 4.582 125.825 121.223 0.033 0.000 2.313 138 L HA 0.168 4.620 4.340 0.186 0.000 0.282 138 L C 0.316 177.227 176.870 0.069 0.000 1.092 138 L CA 0.548 55.420 54.840 0.053 0.000 0.831 138 L CB 1.164 43.252 42.059 0.048 0.000 1.159 138 L HN 0.760 nan 8.230 nan 0.000 0.442 139 D N 1.452 121.897 120.400 0.075 0.000 2.323 139 D HA 0.093 4.845 4.640 0.186 0.000 0.218 139 D C 0.151 176.506 176.300 0.091 0.000 0.973 139 D CA 0.867 54.908 54.000 0.068 0.000 0.890 139 D CB 0.574 41.401 40.800 0.045 0.000 1.011 139 D HN 0.578 nan 8.370 nan 0.000 0.499 140 S N -0.339 115.436 115.700 0.125 0.000 2.615 140 S HA 0.587 5.168 4.470 0.186 0.000 0.268 140 S C -1.409 173.328 174.600 0.228 0.000 1.146 140 S CA -1.059 57.217 58.200 0.127 0.000 0.818 140 S CB 1.553 64.758 63.200 0.008 0.000 1.111 140 S HN 0.116 nan 8.310 nan 0.000 0.465 141 F N -1.088 118.863 119.950 0.002 0.000 2.668 141 F HA 0.907 5.545 4.527 0.187 0.000 0.309 141 F C -1.340 174.447 175.800 -0.021 0.000 1.117 141 F CA -0.717 57.282 58.000 -0.001 0.000 0.951 141 F CB 1.325 40.327 39.000 0.002 0.000 1.323 141 F HN 0.967 nan 8.300 nan 0.000 0.451 142 E N 1.103 121.287 120.200 -0.026 0.000 2.307 142 E HA 0.323 4.785 4.350 0.186 0.000 0.280 142 E C -1.928 174.638 176.600 -0.057 0.000 0.900 142 E CA -0.961 55.356 56.400 -0.138 0.000 0.790 142 E CB 1.993 31.607 29.700 -0.143 0.000 1.261 142 E HN 0.768 nan 8.360 nan 0.000 0.405 143 Q N 2.772 122.544 119.800 -0.047 0.000 2.352 143 Q HA 0.304 4.756 4.340 0.186 0.000 0.260 143 Q C -0.192 175.691 176.000 -0.195 0.000 0.976 143 Q CA -0.463 55.287 55.803 -0.088 0.000 0.881 143 Q CB 0.938 29.658 28.738 -0.030 0.000 1.235 143 Q HN 0.369 nan 8.270 nan 0.000 0.419 144 R N 1.500 121.792 120.500 -0.346 0.000 2.893 144 R HA 0.159 4.611 4.340 0.186 0.000 0.245 144 R C 0.330 176.488 176.300 -0.236 0.000 1.192 144 R CA -0.806 55.066 56.100 -0.379 0.000 1.077 144 R CB 0.213 30.027 30.300 -0.811 0.000 1.253 144 R HN 0.587 nan 8.270 nan 0.000 0.505 145 D N 0.737 121.054 120.400 -0.137 0.000 2.190 145 D HA -0.174 4.577 4.640 0.186 0.000 0.200 145 D C 0.480 176.749 176.300 -0.050 0.000 0.992 145 D CA 1.838 55.798 54.000 -0.066 0.000 0.854 145 D CB 0.175 40.959 40.800 -0.026 0.000 0.936 145 D HN 0.555 nan 8.370 nan 0.000 0.462 146 D N -1.426 118.958 120.400 -0.027 0.000 2.740 146 D HA -0.018 4.734 4.640 0.186 0.000 0.305 146 D C -0.131 176.188 176.300 0.033 0.000 1.583 146 D CA -0.390 53.608 54.000 -0.002 0.000 0.790 146 D CB -0.456 40.362 40.800 0.030 0.000 1.187 146 D HN 0.403 nan 8.370 nan 0.000 0.447 147 H N -2.482 116.501 119.070 -0.144 0.000 2.951 147 H HA 0.447 5.115 4.556 0.186 0.000 0.292 147 H C -2.086 173.177 175.328 -0.108 0.000 1.412 147 H CA -0.676 55.276 56.048 -0.160 0.000 1.206 147 H CB 0.663 30.339 29.762 -0.143 0.000 1.862 147 H HN -0.168 nan 8.280 nan 0.000 0.502 148 V N 1.714 121.580 119.914 -0.080 0.000 2.581 148 V HA 0.552 4.784 4.120 0.186 0.000 0.303 148 V C 0.181 176.306 176.094 0.051 0.000 1.041 148 V CA -0.830 61.437 62.300 -0.054 0.000 0.907 148 V CB 1.737 33.589 31.823 0.048 0.000 0.994 148 V HN 0.611 nan 8.190 nan 0.000 0.442 149 R N 2.329 122.851 120.500 0.038 0.000 2.494 149 R HA 0.835 5.287 4.340 0.186 0.000 0.305 149 R C -0.702 175.703 176.300 0.175 0.000 0.959 149 R CA -0.412 55.762 56.100 0.123 0.000 0.864 149 R CB 2.149 32.463 30.300 0.024 0.000 1.159 149 R HN 0.840 nan 8.270 nan 0.000 0.446 150 A N 1.517 124.458 122.820 0.202 0.000 2.469 150 A HA 0.691 5.123 4.320 0.186 0.000 0.299 150 A C -0.788 176.880 177.584 0.139 0.000 1.098 150 A CA -0.691 51.457 52.037 0.185 0.000 0.737 150 A CB 1.986 21.087 19.000 0.169 0.000 1.312 150 A HN 0.547 nan 8.150 nan 0.000 0.414 151 T N 1.400 116.023 114.554 0.114 0.000 2.770 151 T HA 0.591 5.053 4.350 0.186 0.000 0.283 151 T C -0.702 174.036 174.700 0.063 0.000 0.988 151 T CA 0.054 62.200 62.100 0.077 0.000 0.957 151 T CB 0.423 69.328 68.868 0.061 0.000 0.930 151 T HN 0.358 nan 8.240 nan 0.000 0.443 152 I N 2.421 123.018 120.570 0.045 0.000 2.433 152 I HA 0.356 4.638 4.170 0.186 0.000 0.292 152 I C 0.476 176.606 176.117 0.022 0.000 1.001 152 I CA -0.320 61.000 61.300 0.033 0.000 1.119 152 I CB 2.113 40.128 38.000 0.025 0.000 1.289 152 I HN 0.512 nan 8.210 nan 0.000 0.438 153 T N 4.116 118.682 114.554 0.020 0.000 2.767 153 T HA 0.140 4.601 4.350 0.186 0.000 0.288 153 T C -0.059 174.647 174.700 0.010 0.000 0.963 153 T CA -0.266 61.843 62.100 0.014 0.000 1.019 153 T CB 0.552 69.429 68.868 0.015 0.000 0.923 153 T HN 0.447 nan 8.240 nan 0.000 0.468 154 D N 4.119 124.523 120.400 0.006 0.000 2.713 154 D HA 0.108 4.860 4.640 0.186 0.000 0.229 154 D C 1.643 177.946 176.300 0.004 0.000 1.136 154 D CA -0.192 53.810 54.000 0.003 0.000 1.010 154 D CB -0.122 40.678 40.800 -0.000 0.000 1.084 154 D HN 0.540 nan 8.370 nan 0.000 0.495 155 L N 0.980 122.206 121.223 0.006 0.000 2.288 155 L HA -0.311 4.140 4.340 0.186 0.000 0.218 155 L C 2.406 179.279 176.870 0.005 0.000 1.088 155 L CA 1.897 56.741 54.840 0.006 0.000 0.786 155 L CB -0.873 41.191 42.059 0.008 0.000 0.889 155 L HN 0.294 nan 8.230 nan 0.000 0.441 156 R N -0.528 119.974 120.500 0.004 0.000 2.547 156 R HA 0.256 4.707 4.340 0.186 0.000 0.258 156 R C 1.150 177.452 176.300 0.002 0.000 1.115 156 R CA 0.986 57.087 56.100 0.003 0.000 1.152 156 R CB -0.905 29.396 30.300 0.002 0.000 1.221 156 R HN 0.438 nan 8.270 nan 0.000 0.539 157 T N -3.626 110.929 114.554 0.002 0.000 3.689 157 T HA 0.330 4.792 4.350 0.186 0.000 0.293 157 T C 1.541 176.242 174.700 0.002 0.000 0.955 157 T CA 0.783 62.884 62.100 0.001 0.000 1.130 157 T CB 0.602 69.470 68.868 0.000 0.000 1.138 157 T HN 1.037 nan 8.240 nan 0.000 0.477 158 G N 1.694 110.496 108.800 0.003 0.000 2.253 158 G HA2 0.061 4.133 3.960 0.186 0.000 0.209 158 G HA3 0.061 4.133 3.960 0.186 0.000 0.209 158 G C 0.394 175.297 174.900 0.004 0.000 0.997 158 G CA 0.178 45.281 45.100 0.004 0.000 0.640 158 G HN 0.976 nan 8.290 nan 0.000 0.496 159 A N 0.078 122.900 122.820 0.003 0.000 2.409 159 A HA 0.761 5.192 4.320 0.186 0.000 0.246 159 A C 0.874 178.460 177.584 0.004 0.000 1.099 159 A CA 1.684 53.722 52.037 0.002 0.000 0.789 159 A CB 0.261 19.261 19.000 -0.001 0.000 1.053 159 A HN 2.067 nan 8.150 nan 0.000 0.503 160 T N -1.767 112.789 114.554 0.003 0.000 2.868 160 T HA 0.745 5.206 4.350 0.186 0.000 0.306 160 T C -0.623 174.078 174.700 0.002 0.000 1.224 160 T CA -0.812 61.292 62.100 0.006 0.000 1.012 160 T CB 1.579 70.453 68.868 0.011 0.000 1.221 160 T HN 1.016 nan 8.240 nan 0.000 0.499 161 R N -0.181 120.321 120.500 0.004 0.000 2.766 161 R HA 0.798 5.250 4.340 0.186 0.000 0.270 161 R C -1.723 174.578 176.300 0.002 0.000 1.035 161 R CA -0.772 55.324 56.100 -0.006 0.000 0.911 161 R CB 1.849 32.139 30.300 -0.017 0.000 1.243 161 R HN 1.069 nan 8.270 nan 0.000 0.460 162 A N 1.134 123.942 122.820 -0.021 0.000 2.355 162 A HA 0.674 5.106 4.320 0.186 0.000 0.324 162 A C -1.289 176.270 177.584 -0.042 0.000 1.117 162 A CA -0.563 51.472 52.037 -0.004 0.000 0.785 162 A CB 1.805 20.801 19.000 -0.007 0.000 1.254 162 A HN 0.289 nan 8.150 nan 0.000 0.453 163 V N 2.752 122.702 119.914 0.060 0.000 2.444 163 V HA 0.318 4.550 4.120 0.186 0.000 0.294 163 V C -0.616 175.628 176.094 0.248 0.000 1.022 163 V CA -0.358 61.985 62.300 0.070 0.000 0.850 163 V CB 1.285 33.148 31.823 0.068 0.000 0.992 163 V HN 0.951 nan 8.190 nan 0.000 0.426 164 H N 3.688 122.783 119.070 0.042 0.000 2.683 164 H HA 0.661 5.329 4.556 0.186 0.000 0.270 164 H C 0.181 175.537 175.328 0.046 0.000 1.201 164 H CA -0.354 55.734 56.048 0.067 0.000 1.277 164 H CB 1.328 31.094 29.762 0.006 0.000 1.400 164 H HN 0.784 nan 8.280 nan 0.000 0.504 165 A N 2.294 125.219 122.820 0.174 0.000 2.294 165 A HA 0.329 4.761 4.320 0.186 0.000 0.330 165 A C 1.076 178.696 177.584 0.060 0.000 1.133 165 A CA -0.803 51.295 52.037 0.101 0.000 0.836 165 A CB 1.120 20.175 19.000 0.092 0.000 1.190 165 A HN 0.781 nan 8.150 nan 0.000 0.492 166 R N -0.888 119.609 120.500 -0.005 0.000 2.200 166 R HA 0.084 4.536 4.340 0.186 0.000 0.208 166 R C -0.849 175.146 176.300 -0.508 0.000 1.033 166 R CA 1.042 57.019 56.100 -0.206 0.000 1.000 166 R CB 0.000 30.183 30.300 -0.195 0.000 0.906 166 R HN 0.690 nan 8.270 nan 0.000 0.462 167 Y N -0.768 119.568 120.300 0.061 0.000 2.534 167 Y HA 0.393 5.057 4.550 0.190 0.000 0.345 167 Y C -0.774 175.155 175.900 0.048 0.000 1.031 167 Y CA -0.920 57.222 58.100 0.070 0.000 1.022 167 Y CB 1.895 40.370 38.460 0.025 0.000 1.292 167 Y HN -0.189 nan 8.280 nan 0.000 0.459 168 L N 3.694 125.050 121.223 0.222 0.000 2.345 168 L HA 0.633 5.084 4.340 0.186 0.000 0.274 168 L C -1.571 175.347 176.870 0.079 0.000 0.999 168 L CA -0.877 54.007 54.840 0.073 0.000 0.849 168 L CB 0.772 42.800 42.059 -0.052 0.000 1.220 168 L HN 0.481 nan 8.230 nan 0.000 0.422 169 V N 4.522 124.452 119.914 0.026 0.000 2.348 169 V HA 0.392 4.623 4.120 0.186 0.000 0.270 169 V C 0.688 176.750 176.094 -0.053 0.000 1.037 169 V CA -0.479 61.816 62.300 -0.008 0.000 0.872 169 V CB 1.196 32.961 31.823 -0.095 0.000 1.002 169 V HN 0.820 nan 8.190 nan 0.000 0.464 170 A N 4.325 127.106 122.820 -0.064 0.000 2.310 170 A HA 0.416 4.847 4.320 0.186 0.000 0.300 170 A C 0.361 177.896 177.584 -0.081 0.000 1.269 170 A CA -0.276 51.701 52.037 -0.100 0.000 0.909 170 A CB -0.098 18.819 19.000 -0.139 0.000 1.144 170 A HN 0.927 nan 8.150 nan 0.000 0.540 171 C N 2.703 121.961 119.300 -0.071 0.000 2.513 171 C HA 0.200 4.772 4.460 0.186 0.000 0.281 171 C C 0.892 175.852 174.990 -0.051 0.000 1.501 171 C CA -0.568 58.410 59.018 -0.066 0.000 1.749 171 C CB -1.280 26.428 27.740 -0.053 0.000 2.955 171 C HN 0.888 nan 8.230 nan 0.000 0.532 172 D N 0.441 120.809 120.400 -0.053 0.000 2.338 172 D HA 0.316 5.067 4.640 0.186 0.000 0.239 172 D C 1.142 177.425 176.300 -0.028 0.000 1.095 172 D CA 0.931 54.909 54.000 -0.036 0.000 0.888 172 D CB -0.172 40.608 40.800 -0.033 0.000 0.899 172 D HN 0.648 nan 8.370 nan 0.000 0.525 173 G N -0.402 108.377 108.800 -0.036 0.000 2.698 173 G HA2 -0.019 4.053 3.960 0.186 0.000 0.225 173 G HA3 -0.019 4.053 3.960 0.186 0.000 0.225 173 G C 0.843 175.728 174.900 -0.025 0.000 1.345 173 G CA 0.418 45.502 45.100 -0.026 0.000 0.871 173 G HN 0.647 nan 8.290 nan 0.000 0.540 174 A N -0.487 122.329 122.820 -0.006 0.000 1.877 174 A HA 0.169 4.600 4.320 0.186 0.000 0.216 174 A C 2.809 180.402 177.584 0.015 0.000 1.186 174 A CA 3.396 55.439 52.037 0.010 0.000 0.620 174 A CB -0.949 18.074 19.000 0.038 0.000 0.822 174 A HN 2.429 nan 8.150 nan 0.000 0.443 175 S N -0.094 115.615 115.700 0.015 0.000 2.547 175 S HA -0.001 4.580 4.470 0.186 0.000 0.235 175 S C 0.946 175.553 174.600 0.013 0.000 0.980 175 S CA 0.824 59.034 58.200 0.018 0.000 0.941 175 S CB -1.064 62.143 63.200 0.013 0.000 0.763 175 S HN 0.975 nan 8.310 nan 0.000 0.532 176 S N 3.289 118.989 115.700 0.001 0.000 4.268 176 S HA -0.065 4.517 4.470 0.186 0.000 0.291 176 S C -1.343 173.264 174.600 0.012 0.000 0.440 176 S CA -0.052 58.144 58.200 -0.006 0.000 1.363 176 S CB -0.205 62.979 63.200 -0.027 0.000 1.853 176 S HN 0.370 nan 8.310 nan 0.000 0.331 177 P HA -0.048 nan 4.420 nan 0.000 0.217 177 P C 1.689 179.035 177.300 0.077 0.000 1.150 177 P CA 1.206 64.335 63.100 0.048 0.000 0.832 177 P CB -0.046 31.685 31.700 0.052 0.000 0.787 178 T N -0.544 114.045 114.554 0.059 0.000 2.665 178 T HA -0.226 4.236 4.350 0.186 0.000 0.268 178 T C 1.860 176.611 174.700 0.084 0.000 1.035 178 T CA 1.399 63.543 62.100 0.074 0.000 1.151 178 T CB -0.557 68.248 68.868 -0.104 0.000 0.862 178 T HN 0.135 nan 8.240 nan 0.000 0.438 179 R N 1.132 121.649 120.500 0.029 0.000 2.083 179 R HA -0.140 4.311 4.340 0.186 0.000 0.237 179 R C 2.357 178.686 176.300 0.049 0.000 1.137 179 R CA 1.688 57.804 56.100 0.026 0.000 0.951 179 R CB -0.111 30.189 30.300 0.000 0.000 0.851 179 R HN 0.363 nan 8.270 nan 0.000 0.434 180 K N -0.106 120.324 120.400 0.050 0.000 2.057 180 K HA -0.113 4.318 4.320 0.186 0.000 0.207 180 K C 2.160 178.794 176.600 0.057 0.000 1.049 180 K CA 1.418 57.734 56.287 0.047 0.000 0.931 180 K CB -0.229 32.296 32.500 0.041 0.000 0.714 180 K HN 0.239 nan 8.250 nan 0.000 0.440 181 A N 1.759 124.633 122.820 0.089 0.000 1.873 181 A HA -0.185 4.247 4.320 0.186 0.000 0.218 181 A C 2.097 179.730 177.584 0.081 0.000 1.193 181 A CA 1.549 53.642 52.037 0.094 0.000 0.629 181 A CB -0.913 18.205 19.000 0.197 0.000 0.826 181 A HN 0.215 nan 8.150 nan 0.000 0.447 182 L N -1.042 120.259 121.223 0.130 0.000 2.450 182 L HA 0.025 4.477 4.340 0.186 0.000 0.224 182 L C 1.674 178.571 176.870 0.045 0.000 1.149 182 L CA 0.576 55.472 54.840 0.094 0.000 0.816 182 L CB -0.783 41.334 42.059 0.096 0.000 0.932 182 L HN 0.692 nan 8.230 nan 0.000 0.449 183 G N 0.911 109.736 108.800 0.041 0.000 2.182 183 G HA2 -0.273 3.798 3.960 0.186 0.000 0.248 183 G HA3 -0.273 3.798 3.960 0.186 0.000 0.248 183 G C 0.076 174.993 174.900 0.029 0.000 1.042 183 G CA -0.207 44.909 45.100 0.028 0.000 0.775 183 G HN 0.308 nan 8.290 nan 0.000 0.501 184 I N 0.579 121.170 120.570 0.035 0.000 2.331 184 I HA 0.340 4.622 4.170 0.186 0.000 0.292 184 I C 0.048 176.188 176.117 0.039 0.000 0.998 184 I CA -0.647 60.676 61.300 0.037 0.000 1.267 184 I CB 1.409 39.434 38.000 0.041 0.000 1.386 184 I HN 0.129 nan 8.210 nan 0.000 0.476 185 D N 5.157 125.583 120.400 0.042 0.000 2.175 185 D HA 0.534 5.286 4.640 0.186 0.000 0.248 185 D C -0.418 175.915 176.300 0.056 0.000 1.047 185 D CA -0.313 53.713 54.000 0.044 0.000 0.883 185 D CB 1.685 42.508 40.800 0.038 0.000 1.180 185 D HN 0.584 nan 8.370 nan 0.000 0.438 186 A N 4.178 127.033 122.820 0.057 0.000 3.064 186 A HA 0.396 4.827 4.320 0.186 0.000 0.339 186 A C -2.434 175.194 177.584 0.073 0.000 1.078 186 A CA -1.286 50.794 52.037 0.072 0.000 0.869 186 A CB 0.189 19.229 19.000 0.067 0.000 1.067 186 A HN 0.473 nan 8.150 nan 0.000 0.480 187 P HA 0.145 nan 4.420 nan 0.000 0.266 187 P C -2.767 174.572 177.300 0.065 0.000 1.195 187 P CA -0.654 62.479 63.100 0.055 0.000 0.768 187 P CB 0.004 31.727 31.700 0.039 0.000 0.838 188 P HA 0.155 nan 4.420 nan 0.000 0.268 188 P C 0.571 177.887 177.300 0.027 0.000 1.204 188 P CA 0.284 63.434 63.100 0.083 0.000 0.768 188 P CB 0.367 32.112 31.700 0.075 0.000 0.842 189 R N 1.248 121.763 120.500 0.024 0.000 2.437 189 R HA 0.227 4.679 4.340 0.186 0.000 0.257 189 R C 0.110 176.072 176.300 -0.563 0.000 0.927 189 R CA -0.002 55.990 56.100 -0.180 0.000 1.078 189 R CB 0.251 30.498 30.300 -0.089 0.000 1.161 189 R HN 0.621 nan 8.270 nan 0.000 0.529 190 H N -0.363 118.663 119.070 -0.075 0.000 3.060 190 H HA 0.170 4.837 4.556 0.186 0.000 0.330 190 H C -0.763 174.498 175.328 -0.112 0.000 1.305 190 H CA -0.930 54.964 56.048 -0.257 0.000 1.209 190 H CB 1.287 30.552 29.762 -0.828 0.000 1.913 190 H HN -0.093 nan 8.280 nan 0.000 0.534 191 R N 1.044 121.578 120.500 0.055 0.000 2.583 191 R HA 0.048 4.500 4.340 0.186 0.000 0.274 191 R C -0.358 176.030 176.300 0.146 0.000 0.998 191 R CA 0.508 56.651 56.100 0.071 0.000 1.081 191 R CB 0.334 30.657 30.300 0.038 0.000 0.940 191 R HN 0.434 nan 8.270 nan 0.000 0.413 192 T N 4.780 119.393 114.554 0.099 0.000 2.814 192 T HA 0.114 4.576 4.350 0.186 0.000 0.297 192 T C 0.079 174.753 174.700 -0.044 0.000 0.956 192 T CA -0.108 62.035 62.100 0.073 0.000 1.123 192 T CB 0.957 69.828 68.868 0.004 0.000 0.902 192 T HN 0.451 nan 8.240 nan 0.000 0.528 193 Q N 1.451 121.219 119.800 -0.053 0.000 2.297 193 Q HA 0.710 5.162 4.340 0.186 0.000 0.269 193 Q C -1.011 174.737 176.000 -0.419 0.000 1.051 193 Q CA -1.026 54.640 55.803 -0.228 0.000 0.869 193 Q CB 2.261 30.912 28.738 -0.145 0.000 1.346 193 Q HN 0.373 nan 8.270 nan 0.000 0.457 194 V N 1.817 121.336 119.914 -0.659 0.000 2.540 194 V HA 0.571 4.802 4.120 0.186 0.000 0.302 194 V C -1.121 174.372 176.094 -1.002 0.000 1.035 194 V CA -0.479 61.438 62.300 -0.637 0.000 0.873 194 V CB 1.000 32.568 31.823 -0.425 0.000 0.992 194 V HN 0.568 nan 8.190 nan 0.000 0.428 195 F N 2.676 122.185 119.950 -0.734 0.000 2.650 195 F HA 0.726 5.365 4.527 0.186 0.000 0.320 195 F C 0.206 175.767 175.800 -0.399 0.000 1.091 195 F CA -0.991 56.605 58.000 -0.674 0.000 0.962 195 F CB 2.122 40.547 39.000 -0.957 0.000 1.363 195 F HN 0.202 nan 8.300 nan 0.000 0.482 196 R N 0.815 121.383 120.500 0.113 0.000 2.513 196 R HA 0.430 4.882 4.340 0.186 0.000 0.301 196 R C -1.591 174.910 176.300 0.335 0.000 0.968 196 R CA -0.993 55.226 56.100 0.198 0.000 0.872 196 R CB 1.653 32.025 30.300 0.121 0.000 1.177 196 R HN 0.435 nan 8.270 nan 0.000 0.444 197 N N 2.592 121.516 118.700 0.373 0.000 2.469 197 N HA 0.340 5.191 4.740 0.186 0.000 0.253 197 N C -0.961 174.732 175.510 0.305 0.000 0.970 197 N CA -0.321 52.936 53.050 0.344 0.000 0.940 197 N CB 1.069 39.702 38.487 0.243 0.000 1.128 197 N HN 0.423 nan 8.380 nan 0.000 0.503 198 I N 2.586 123.330 120.570 0.290 0.000 2.307 198 I HA 0.244 4.525 4.170 0.186 0.000 0.289 198 I C -0.182 176.139 176.117 0.339 0.000 1.021 198 I CA -0.609 60.858 61.300 0.279 0.000 1.224 198 I CB 1.056 39.186 38.000 0.217 0.000 1.376 198 I HN 0.252 nan 8.210 nan 0.000 0.470 199 L N 8.873 130.257 121.223 0.269 0.000 2.257 199 L HA 0.552 5.003 4.340 0.186 0.000 0.290 199 L C -1.040 175.958 176.870 0.214 0.000 1.044 199 L CA -0.398 54.518 54.840 0.127 0.000 0.810 199 L CB 0.443 42.474 42.059 -0.047 0.000 1.193 199 L HN 0.551 nan 8.230 nan 0.000 0.425 200 F N 3.155 123.139 119.950 0.057 0.000 2.626 200 F HA 0.632 5.270 4.527 0.186 0.000 0.311 200 F C -0.938 174.931 175.800 0.115 0.000 1.088 200 F CA -1.215 56.830 58.000 0.076 0.000 0.949 200 F CB 1.141 40.183 39.000 0.070 0.000 1.322 200 F HN 0.345 nan 8.300 nan 0.000 0.461 201 R N 1.582 122.188 120.500 0.176 0.000 2.486 201 R HA 0.843 5.295 4.340 0.186 0.000 0.286 201 R C -1.307 175.154 176.300 0.267 0.000 0.999 201 R CA -0.716 55.455 56.100 0.117 0.000 0.993 201 R CB 1.548 31.904 30.300 0.094 0.000 1.084 201 R HN 1.104 nan 8.270 nan 0.000 0.487 202 A N 5.569 128.530 122.820 0.236 0.000 3.124 202 A HA 0.295 4.727 4.320 0.186 0.000 0.295 202 A C -2.254 175.435 177.584 0.176 0.000 1.199 202 A CA -1.046 51.120 52.037 0.214 0.000 0.845 202 A CB 1.021 20.129 19.000 0.181 0.000 1.381 202 A HN 0.626 nan 8.150 nan 0.000 0.537 203 P HA -0.219 nan 4.420 nan 0.000 0.218 203 P C 0.843 178.173 177.300 0.049 0.000 1.150 203 P CA 1.728 64.876 63.100 0.080 0.000 0.841 203 P CB 0.317 32.051 31.700 0.057 0.000 0.784 204 E N -2.194 118.018 120.200 0.020 0.000 2.526 204 E HA 0.074 4.535 4.350 0.186 0.000 0.208 204 E C 1.408 177.938 176.600 -0.117 0.000 0.997 204 E CA -0.297 56.078 56.400 -0.041 0.000 0.961 204 E CB -0.289 29.381 29.700 -0.050 0.000 1.030 204 E HN 0.113 nan 8.360 nan 0.000 0.483 205 L N 1.911 123.080 121.223 -0.090 0.000 2.046 205 L HA -0.131 4.321 4.340 0.186 0.000 0.208 205 L C 2.396 179.176 176.870 -0.151 0.000 1.077 205 L CA 1.901 56.617 54.840 -0.206 0.000 0.747 205 L CB -0.317 41.578 42.059 -0.272 0.000 0.896 205 L HN -0.023 nan 8.230 nan 0.000 0.432 206 R N -1.536 118.987 120.500 0.038 0.000 2.115 206 R HA -0.113 4.338 4.340 0.186 0.000 0.230 206 R C 2.318 178.577 176.300 -0.069 0.000 1.111 206 R CA 1.415 57.536 56.100 0.034 0.000 0.976 206 R CB -0.253 30.083 30.300 0.060 0.000 0.870 206 R HN 0.389 nan 8.270 nan 0.000 0.445 207 S N 0.210 115.855 115.700 -0.093 0.000 2.406 207 S HA 0.069 4.651 4.470 0.186 0.000 0.228 207 S C 1.728 176.229 174.600 -0.166 0.000 1.020 207 S CA 0.533 58.670 58.200 -0.104 0.000 0.965 207 S CB 0.019 63.171 63.200 -0.079 0.000 0.798 207 S HN 0.313 nan 8.310 nan 0.000 0.488 208 L N 0.686 121.719 121.223 -0.317 0.000 2.156 208 L HA 0.010 4.462 4.340 0.186 0.000 0.208 208 L C 2.106 178.722 176.870 -0.423 0.000 1.095 208 L CA 0.749 55.269 54.840 -0.533 0.000 0.770 208 L CB -0.332 40.997 42.059 -1.217 0.000 0.914 208 L HN 0.317 nan 8.230 nan 0.000 0.439 209 L N -0.842 120.194 121.223 -0.312 0.000 2.044 209 L HA -0.027 4.425 4.340 0.186 0.000 0.205 209 L C 1.748 178.636 176.870 0.030 0.000 1.075 209 L CA 0.922 55.743 54.840 -0.032 0.000 0.747 209 L CB -0.905 41.185 42.059 0.051 0.000 0.903 209 L HN 0.466 nan 8.230 nan 0.000 0.435 210 G N -0.013 108.774 108.800 -0.021 0.000 2.583 210 G HA2 -0.367 3.704 3.960 0.186 0.000 0.292 210 G HA3 -0.367 3.704 3.960 0.186 0.000 0.292 210 G C 0.735 175.639 174.900 0.007 0.000 1.203 210 G CA 0.388 45.483 45.100 -0.010 0.000 0.987 210 G HN 0.259 nan 8.290 nan 0.000 0.554 211 E N 0.891 121.106 120.200 0.024 0.000 2.219 211 E HA -0.128 4.334 4.350 0.186 0.000 0.198 211 E C 2.605 179.239 176.600 0.057 0.000 0.998 211 E CA 1.290 57.708 56.400 0.029 0.000 0.818 211 E CB -0.237 29.485 29.700 0.038 0.000 0.741 211 E HN 0.603 nan 8.360 nan 0.000 0.477 212 R N 0.703 121.264 120.500 0.101 0.000 2.280 212 R HA 0.104 4.555 4.340 0.186 0.000 0.207 212 R C 1.016 177.446 176.300 0.216 0.000 1.043 212 R CA 0.366 56.569 56.100 0.171 0.000 1.006 212 R CB -0.263 30.172 30.300 0.224 0.000 0.885 212 R HN -0.007 nan 8.270 nan 0.000 0.467 213 A N 1.495 124.393 122.820 0.129 0.000 2.615 213 A HA 0.316 4.747 4.320 0.186 0.000 0.230 213 A C 0.235 177.847 177.584 0.047 0.000 1.062 213 A CA 0.879 52.978 52.037 0.102 0.000 0.758 213 A CB 0.136 19.072 19.000 -0.108 0.000 0.995 213 A HN 0.392 nan 8.150 nan 0.000 0.511 214 A N 0.483 123.321 122.820 0.031 0.000 2.608 214 A HA 0.556 4.988 4.320 0.186 0.000 0.292 214 A C 0.179 177.755 177.584 -0.013 0.000 1.066 214 A CA 0.047 51.984 52.037 -0.166 0.000 0.676 214 A CB 0.274 18.837 19.000 -0.729 0.000 1.277 214 A HN 1.801 nan 8.150 nan 0.000 0.413 215 L N 0.278 121.489 121.223 -0.021 0.000 2.095 215 L HA 0.463 4.915 4.340 0.186 0.000 0.204 215 L C -0.237 176.366 176.870 -0.444 0.000 1.080 215 L CA 1.797 56.562 54.840 -0.124 0.000 0.759 215 L CB -0.395 41.596 42.059 -0.113 0.000 0.914 215 L HN 0.562 nan 8.230 nan 0.000 0.439 216 F N -1.365 118.412 119.950 -0.288 0.000 2.520 216 F HA 0.452 5.090 4.527 0.186 0.000 0.322 216 F C -0.754 174.773 175.800 -0.454 0.000 1.103 216 F CA -0.608 57.206 58.000 -0.310 0.000 0.926 216 F CB 1.479 40.322 39.000 -0.263 0.000 1.154 216 F HN -0.341 nan 8.300 nan 0.000 0.453 217 F N 3.398 123.340 119.950 -0.013 0.000 2.430 217 F HA 0.426 5.065 4.527 0.187 0.000 0.362 217 F C -0.853 174.874 175.800 -0.121 0.000 1.103 217 F CA -1.115 56.874 58.000 -0.019 0.000 1.045 217 F CB 0.666 39.689 39.000 0.038 0.000 1.276 217 F HN 0.182 nan 8.300 nan 0.000 0.444 218 F N 4.409 124.250 119.950 -0.183 0.000 2.444 218 F HA 0.360 4.998 4.527 0.186 0.000 0.360 218 F C -0.040 175.756 175.800 -0.007 0.000 1.106 218 F CA -0.535 57.341 58.000 -0.207 0.000 1.170 218 F CB 0.449 39.027 39.000 -0.703 0.000 1.113 218 F HN 0.116 nan 8.300 nan 0.000 0.521 219 L N 4.627 125.968 121.223 0.197 0.000 2.326 219 L HA 0.349 4.801 4.340 0.186 0.000 0.278 219 L C 0.165 177.141 176.870 0.177 0.000 1.092 219 L CA 0.147 55.092 54.840 0.176 0.000 0.810 219 L CB 0.841 42.972 42.059 0.121 0.000 1.153 219 L HN 0.554 nan 8.230 nan 0.000 0.439 220 M N 5.044 124.768 119.600 0.207 0.000 2.808 220 M HA 0.248 4.839 4.480 0.186 0.000 0.225 220 M C 0.340 176.779 176.300 0.232 0.000 1.103 220 M CA 0.174 55.597 55.300 0.206 0.000 0.982 220 M CB 0.655 33.409 32.600 0.257 0.000 1.314 220 M HN 0.647 nan 8.290 nan 0.000 0.505 221 L N -0.251 121.078 121.223 0.176 0.000 2.854 221 L HA 0.326 4.778 4.340 0.186 0.000 0.249 221 L C 0.416 177.383 176.870 0.162 0.000 1.091 221 L CA 0.283 55.256 54.840 0.221 0.000 0.935 221 L CB 0.739 42.872 42.059 0.124 0.000 1.367 221 L HN 0.647 nan 8.230 nan 0.000 0.524 222 S N -2.967 112.792 115.700 0.099 0.000 2.669 222 S HA 0.076 4.657 4.470 0.186 0.000 0.266 222 S C 0.562 175.198 174.600 0.060 0.000 1.149 222 S CA 0.080 58.326 58.200 0.077 0.000 0.842 222 S CB 0.739 63.992 63.200 0.089 0.000 1.160 222 S HN 0.072 nan 8.310 nan 0.000 0.487 223 S N 0.904 116.648 115.700 0.073 0.000 2.383 223 S HA -0.069 4.513 4.470 0.186 0.000 0.227 223 S C 1.796 176.515 174.600 0.198 0.000 1.026 223 S CA 1.719 59.975 58.200 0.093 0.000 0.981 223 S CB -1.013 62.233 63.200 0.076 0.000 0.818 223 S HN 1.517 nan 8.310 nan 0.000 0.472 224 S N 0.082 115.908 115.700 0.209 0.000 2.483 224 S HA 0.341 4.922 4.470 0.186 0.000 0.221 224 S C 0.596 175.461 174.600 0.440 0.000 1.030 224 S CA -0.318 58.078 58.200 0.328 0.000 0.925 224 S CB -0.333 62.968 63.200 0.168 0.000 0.795 224 S HN 0.330 nan 8.310 nan 0.000 0.511 225 L N 3.387 124.761 121.223 0.251 0.000 2.828 225 L HA 0.477 4.929 4.340 0.186 0.000 0.233 225 L C 0.831 177.755 176.870 0.090 0.000 1.250 225 L CA -0.048 54.923 54.840 0.217 0.000 1.125 225 L CB 0.202 42.345 42.059 0.140 0.000 1.432 225 L HN 0.415 nan 8.230 nan 0.000 0.444 226 R N -1.286 119.139 120.500 -0.126 0.000 2.642 226 R HA 0.328 4.780 4.340 0.186 0.000 0.435 226 R C -0.791 175.132 176.300 -0.628 0.000 1.046 226 R CA -0.247 55.649 56.100 -0.340 0.000 1.103 226 R CB 0.004 30.062 30.300 -0.402 0.000 1.425 226 R HN 0.057 nan 8.270 nan 0.000 0.586 227 F N 1.552 121.628 119.950 0.210 0.000 2.631 227 F HA 0.644 5.283 4.527 0.186 0.000 0.350 227 F C -2.108 173.713 175.800 0.035 0.000 1.080 227 F CA -2.870 55.228 58.000 0.164 0.000 1.026 227 F CB 0.946 40.051 39.000 0.175 0.000 1.347 227 F HN -0.150 nan 8.300 nan 0.000 0.501 228 P HA 0.268 nan 4.420 nan 0.000 0.282 228 P C -1.316 176.003 177.300 0.031 0.000 1.249 228 P CA -0.222 62.752 63.100 -0.211 0.000 0.806 228 P CB 1.891 33.192 31.700 -0.666 0.000 0.984 229 L N 3.857 125.133 121.223 0.087 0.000 2.342 229 L HA 0.509 4.961 4.340 0.186 0.000 0.276 229 L C 0.106 177.069 176.870 0.155 0.000 0.997 229 L CA -0.769 54.180 54.840 0.181 0.000 0.838 229 L CB 0.813 43.016 42.059 0.240 0.000 1.224 229 L HN 0.425 nan 8.230 nan 0.000 0.416 230 R N 4.506 125.020 120.500 0.023 0.000 2.664 230 R HA 0.824 5.276 4.340 0.186 0.000 0.286 230 R C -0.927 175.289 176.300 -0.140 0.000 0.967 230 R CA -0.590 55.395 56.100 -0.191 0.000 0.933 230 R CB 1.748 31.706 30.300 -0.570 0.000 1.146 230 R HN 0.599 nan 8.270 nan 0.000 0.468 231 A N 4.288 126.998 122.820 -0.184 0.000 2.396 231 A HA 0.208 4.640 4.320 0.186 0.000 0.279 231 A C 0.838 178.227 177.584 -0.325 0.000 1.165 231 A CA -0.673 51.191 52.037 -0.288 0.000 0.824 231 A CB 0.060 18.972 19.000 -0.147 0.000 1.100 231 A HN 0.923 nan 8.150 nan 0.000 0.516 232 L N 1.330 122.322 121.223 -0.385 0.000 2.072 232 L HA -0.035 4.417 4.340 0.186 0.000 0.205 232 L C 1.370 178.053 176.870 -0.312 0.000 1.079 232 L CA 1.668 56.296 54.840 -0.355 0.000 0.752 232 L CB 0.010 41.858 42.059 -0.353 0.000 0.906 232 L HN 0.928 nan 8.230 nan 0.000 0.436 233 D N -2.544 117.699 120.400 -0.261 0.000 2.539 233 D HA 0.093 4.845 4.640 0.186 0.000 0.232 233 D C 1.168 177.406 176.300 -0.105 0.000 1.256 233 D CA 0.458 54.352 54.000 -0.177 0.000 0.810 233 D CB 0.082 40.688 40.800 -0.323 0.000 1.090 233 D HN 0.110 nan 8.370 nan 0.000 0.519 234 G N 1.386 109.992 108.800 -0.323 0.000 2.233 234 G HA2 -0.385 3.687 3.960 0.186 0.000 0.270 234 G HA3 -0.385 3.687 3.960 0.186 0.000 0.270 234 G C 0.728 175.493 174.900 -0.226 0.000 1.011 234 G CA 0.548 45.301 45.100 -0.579 0.000 0.762 234 G HN 0.484 nan 8.290 nan 0.000 0.511 235 R N -1.328 119.060 120.500 -0.187 0.000 2.616 235 R HA 0.454 4.906 4.340 0.186 0.000 0.427 235 R C 1.548 177.805 176.300 -0.070 0.000 1.030 235 R CA 0.453 56.508 56.100 -0.076 0.000 1.133 235 R CB 0.780 31.093 30.300 0.022 0.000 1.444 235 R HN 1.043 nan 8.270 nan 0.000 0.578 236 G N 0.620 109.318 108.800 -0.170 0.000 2.336 236 G HA2 -0.201 3.871 3.960 0.186 0.000 0.194 236 G HA3 -0.201 3.871 3.960 0.186 0.000 0.194 236 G C -0.190 174.635 174.900 -0.126 0.000 0.999 236 G CA -0.681 44.415 45.100 -0.007 0.000 0.669 236 G HN 0.171 nan 8.290 nan 0.000 0.482 237 L N 1.538 122.519 121.223 -0.403 0.000 2.276 237 L HA 0.733 5.185 4.340 0.186 0.000 0.286 237 L C -0.152 176.290 176.870 -0.714 0.000 1.061 237 L CA -0.916 53.680 54.840 -0.407 0.000 0.807 237 L CB 0.608 42.483 42.059 -0.306 0.000 1.177 237 L HN 0.260 nan 8.230 nan 0.000 0.429 238 Y N 3.418 123.348 120.300 -0.617 0.000 2.634 238 Y HA 0.622 5.284 4.550 0.186 0.000 0.340 238 Y C -0.360 175.228 175.900 -0.520 0.000 1.058 238 Y CA -1.128 56.613 58.100 -0.598 0.000 1.081 238 Y CB 1.771 39.792 38.460 -0.732 0.000 1.295 238 Y HN 0.392 nan 8.280 nan 0.000 0.487 239 R N 2.074 122.559 120.500 -0.025 0.000 2.512 239 R HA 0.372 4.824 4.340 0.186 0.000 0.291 239 R C -2.244 174.193 176.300 0.229 0.000 1.097 239 R CA -0.526 55.631 56.100 0.095 0.000 0.940 239 R CB 1.217 31.508 30.300 -0.015 0.000 1.198 239 R HN 0.730 nan 8.270 nan 0.000 0.429 240 L N 5.222 126.657 121.223 0.353 0.000 2.264 240 L HA 0.339 4.790 4.340 0.186 0.000 0.287 240 L C -0.525 176.497 176.870 0.253 0.000 1.039 240 L CA 0.119 55.131 54.840 0.287 0.000 0.829 240 L CB 1.484 43.697 42.059 0.256 0.000 1.211 240 L HN 0.730 nan 8.230 nan 0.000 0.427 241 T N 4.192 118.891 114.554 0.241 0.000 2.817 241 T HA 0.373 4.835 4.350 0.186 0.000 0.293 241 T C -0.563 174.317 174.700 0.301 0.000 0.964 241 T CA -0.312 61.949 62.100 0.269 0.000 1.085 241 T CB 0.985 69.984 68.868 0.218 0.000 0.921 241 T HN 0.488 nan 8.240 nan 0.000 0.502 242 V N 4.747 124.832 119.914 0.284 0.000 2.656 242 V HA 0.892 5.124 4.120 0.186 0.000 0.307 242 V C 0.455 176.653 176.094 0.172 0.000 1.051 242 V CA -0.142 62.333 62.300 0.292 0.000 0.893 242 V CB 1.565 33.517 31.823 0.213 0.000 0.999 242 V HN 1.137 nan 8.190 nan 0.000 0.426 243 G N 3.810 112.682 108.800 0.120 0.000 2.599 243 G HA2 0.575 4.647 3.960 0.186 0.000 0.264 243 G HA3 0.575 4.647 3.960 0.186 0.000 0.264 243 G C -0.321 174.482 174.900 -0.162 0.000 1.200 243 G CA 0.196 45.145 45.100 -0.252 0.000 0.896 243 G HN 1.831 nan 8.290 nan 0.000 0.536 244 V N -2.370 117.356 119.914 -0.314 0.000 3.078 244 V HA 0.736 4.967 4.120 0.186 0.000 0.311 244 V C -1.247 174.746 176.094 -0.168 0.000 1.138 244 V CA -1.060 61.130 62.300 -0.183 0.000 1.007 244 V CB 2.633 34.343 31.823 -0.188 0.000 1.045 244 V HN 0.550 nan 8.190 nan 0.000 0.432 245 D N 2.176 122.518 120.400 -0.097 0.000 2.772 245 D HA 0.359 5.110 4.640 0.186 0.000 0.326 245 D C 0.581 176.844 176.300 -0.061 0.000 1.207 245 D CA 0.924 54.877 54.000 -0.077 0.000 0.777 245 D CB 0.779 41.555 40.800 -0.040 0.000 1.169 245 D HN 1.160 nan 8.370 nan 0.000 0.506 252 M N 1.592 121.208 119.600 0.028 0.000 2.055 252 M HA 0.577 5.169 4.480 0.186 0.000 0.279 252 M C -0.115 176.210 176.300 0.040 0.000 1.236 252 M CA 0.159 55.479 55.300 0.033 0.000 1.074 252 M CB 0.403 33.023 32.600 0.033 0.000 1.394 252 M HN 0.864 nan 8.290 nan 0.000 0.492 253 D N -0.457 119.971 120.400 0.047 0.000 2.175 253 D HA 0.348 5.100 4.640 0.186 0.000 0.248 253 D C 0.319 176.661 176.300 0.071 0.000 1.047 253 D CA -0.025 54.013 54.000 0.063 0.000 0.883 253 D CB 1.258 42.104 40.800 0.077 0.000 1.180 253 D HN 0.658 nan 8.370 nan 0.000 0.438 254 S N 2.447 118.198 115.700 0.085 0.000 2.392 254 S HA -0.254 4.328 4.470 0.186 0.000 0.225 254 S C 1.697 176.337 174.600 0.067 0.000 1.041 254 S CA 1.137 59.387 58.200 0.084 0.000 1.100 254 S CB -0.696 62.570 63.200 0.111 0.000 1.029 254 S HN 0.684 nan 8.310 nan 0.000 0.424 255 F N 2.462 122.392 119.950 -0.032 0.000 2.250 255 F HA -0.141 4.497 4.527 0.186 0.000 0.301 255 F C 2.388 178.143 175.800 -0.075 0.000 1.077 255 F CA 1.296 59.256 58.000 -0.067 0.000 1.348 255 F CB -0.111 38.864 39.000 -0.041 0.000 1.040 255 F HN 0.093 nan 8.300 nan 0.000 0.509 256 E N 0.575 120.826 120.200 0.085 0.000 2.047 256 E HA -0.165 4.297 4.350 0.186 0.000 0.191 256 E C 2.429 178.969 176.600 -0.100 0.000 0.987 256 E CA 1.266 57.671 56.400 0.008 0.000 0.799 256 E CB -0.682 29.052 29.700 0.056 0.000 0.752 256 E HN 0.446 nan 8.360 nan 0.000 0.449 257 L N 0.307 121.486 121.223 -0.072 0.000 2.012 257 L HA -0.214 4.238 4.340 0.186 0.000 0.210 257 L C 2.571 179.336 176.870 -0.174 0.000 1.073 257 L CA 1.015 55.810 54.840 -0.076 0.000 0.748 257 L CB -0.584 41.466 42.059 -0.016 0.000 0.891 257 L HN 0.012 nan 8.230 nan 0.000 0.431 258 V N -0.624 119.108 119.914 -0.304 0.000 2.392 258 V HA -0.269 3.963 4.120 0.186 0.000 0.249 258 V C 2.698 178.505 176.094 -0.478 0.000 1.059 258 V CA 1.544 63.542 62.300 -0.503 0.000 1.051 258 V CB -0.711 30.599 31.823 -0.857 0.000 0.658 258 V HN 0.405 nan 8.190 nan 0.000 0.455 259 R N -0.089 120.111 120.500 -0.500 0.000 2.075 259 R HA -0.054 4.398 4.340 0.186 0.000 0.232 259 R C 2.457 178.615 176.300 -0.237 0.000 1.126 259 R CA 1.003 56.862 56.100 -0.401 0.000 0.963 259 R CB -0.570 29.503 30.300 -0.379 0.000 0.858 259 R HN 0.401 nan 8.270 nan 0.000 0.435 260 R N 0.243 120.634 120.500 -0.181 0.000 2.091 260 R HA -0.049 4.402 4.340 0.186 0.000 0.238 260 R C 1.994 178.218 176.300 -0.125 0.000 1.136 260 R CA 1.531 57.562 56.100 -0.116 0.000 0.959 260 R CB -0.687 29.574 30.300 -0.065 0.000 0.856 260 R HN 0.212 nan 8.270 nan 0.000 0.437 261 A N 0.320 123.054 122.820 -0.144 0.000 2.067 261 A HA 0.058 4.490 4.320 0.186 0.000 0.217 261 A C 0.800 178.282 177.584 -0.170 0.000 1.156 261 A CA 0.318 52.279 52.037 -0.128 0.000 0.683 261 A CB 0.451 19.396 19.000 -0.092 0.000 0.808 261 A HN 0.029 nan 8.150 nan 0.000 0.455 262 V N 0.197 119.989 119.914 -0.202 0.000 2.326 262 V HA 0.434 4.666 4.120 0.186 0.000 0.281 262 V C 1.330 177.318 176.094 -0.178 0.000 1.015 262 V CA -0.144 62.050 62.300 -0.177 0.000 0.823 262 V CB 0.521 32.247 31.823 -0.161 0.000 1.009 262 V HN 0.442 nan 8.190 nan 0.000 0.436 263 A N 4.912 127.574 122.820 -0.264 0.000 1.948 263 A HA -0.101 4.331 4.320 0.186 0.000 0.220 263 A C 0.836 178.221 177.584 -0.332 0.000 1.177 263 A CA 1.432 53.253 52.037 -0.359 0.000 0.636 263 A CB -0.456 18.223 19.000 -0.535 0.000 0.815 263 A HN 0.591 nan 8.150 nan 0.000 0.449 264 F N -0.052 119.817 119.950 -0.134 0.000 2.506 264 F HA 0.287 4.925 4.527 0.186 0.000 0.351 264 F C 0.726 176.471 175.800 -0.092 0.000 1.136 264 F CA -0.136 57.803 58.000 -0.101 0.000 1.298 264 F CB 0.287 39.230 39.000 -0.095 0.000 1.145 264 F HN 0.128 nan 8.300 nan 0.000 0.593 265 D N 1.449 121.935 120.400 0.142 0.000 2.557 265 D HA 0.167 4.919 4.640 0.186 0.000 0.236 265 D C -0.458 175.893 176.300 0.086 0.000 1.154 265 D CA 0.019 54.064 54.000 0.075 0.000 0.985 265 D CB 0.244 41.074 40.800 0.051 0.000 1.010 265 D HN 0.472 nan 8.370 nan 0.000 0.516 266 T N 1.041 115.639 114.554 0.075 0.000 2.916 266 T HA 0.288 4.750 4.350 0.186 0.000 0.292 266 T C -0.639 174.103 174.700 0.070 0.000 1.064 266 T CA -0.774 61.358 62.100 0.054 0.000 1.011 266 T CB 1.218 70.090 68.868 0.007 0.000 1.152 266 T HN 0.318 nan 8.240 nan 0.000 0.510 267 E N 1.577 121.822 120.200 0.075 0.000 2.608 267 E HA 0.125 4.587 4.350 0.186 0.000 0.259 267 E C -0.882 175.804 176.600 0.143 0.000 0.951 267 E CA 0.550 57.016 56.400 0.110 0.000 0.945 267 E CB 0.198 29.950 29.700 0.088 0.000 0.916 267 E HN 0.424 nan 8.360 nan 0.000 0.477 268 I N 4.542 125.241 120.570 0.216 0.000 2.531 268 I HA 0.108 4.390 4.170 0.186 0.000 0.283 268 I C -0.732 175.583 176.117 0.329 0.000 1.083 268 I CA -0.338 61.107 61.300 0.241 0.000 1.071 268 I CB 1.732 39.748 38.000 0.026 0.000 1.210 268 I HN 0.546 nan 8.210 nan 0.000 0.450 269 E N 6.934 127.309 120.200 0.292 0.000 2.073 269 E HA 0.383 4.845 4.350 0.186 0.000 0.269 269 E C -1.196 175.568 176.600 0.273 0.000 0.917 269 E CA -0.587 55.957 56.400 0.240 0.000 0.757 269 E CB 1.410 31.208 29.700 0.163 0.000 1.111 269 E HN 0.335 nan 8.360 nan 0.000 0.410 270 V N 6.841 126.912 119.914 0.261 0.000 2.521 270 V HA 0.006 4.238 4.120 0.186 0.000 0.286 270 V C 1.175 177.373 176.094 0.173 0.000 1.034 270 V CA 0.275 62.721 62.300 0.244 0.000 1.045 270 V CB 0.921 32.871 31.823 0.212 0.000 0.974 270 V HN 0.830 nan 8.190 nan 0.000 0.480 271 L N 3.065 124.385 121.223 0.163 0.000 2.425 271 L HA 0.275 4.726 4.340 0.186 0.000 0.215 271 L C 0.727 177.655 176.870 0.097 0.000 1.065 271 L CA 0.507 55.407 54.840 0.099 0.000 0.842 271 L CB 0.268 42.358 42.059 0.052 0.000 1.033 271 L HN 0.646 nan 8.230 nan 0.000 0.474 272 S N -1.357 114.422 115.700 0.131 0.000 2.607 272 S HA 0.344 4.926 4.470 0.186 0.000 0.273 272 S C -0.785 173.917 174.600 0.169 0.000 1.148 272 S CA -0.575 57.712 58.200 0.144 0.000 0.833 272 S CB 2.724 66.036 63.200 0.187 0.000 1.130 272 S HN 0.084 nan 8.310 nan 0.000 0.470 273 D N 1.586 122.073 120.400 0.146 0.000 2.822 273 D HA 0.119 4.871 4.640 0.186 0.000 0.327 273 D C -0.349 176.021 176.300 0.117 0.000 1.577 273 D CA -0.117 53.967 54.000 0.140 0.000 0.785 273 D CB 0.290 41.157 40.800 0.112 0.000 1.199 273 D HN 0.551 nan 8.370 nan 0.000 0.443 274 S N 0.266 116.027 115.700 0.102 0.000 2.558 274 S HA 0.063 4.644 4.470 0.186 0.000 0.293 274 S C 0.390 175.054 174.600 0.107 0.000 1.292 274 S CA -0.205 58.026 58.200 0.051 0.000 1.063 274 S CB 1.787 64.952 63.200 -0.059 0.000 0.831 274 S HN 0.291 nan 8.310 nan 0.000 0.499 275 E N 3.044 123.309 120.200 0.107 0.000 2.216 275 E HA 0.443 4.905 4.350 0.186 0.000 0.279 275 E C -0.717 176.009 176.600 0.211 0.000 0.997 275 E CA -0.915 55.570 56.400 0.143 0.000 0.817 275 E CB 0.710 30.452 29.700 0.069 0.000 1.096 275 E HN 0.814 nan 8.360 nan 0.000 0.393 276 W N 3.289 124.616 121.300 0.045 0.000 3.031 276 W HA 0.421 5.192 4.660 0.186 0.000 0.337 276 W C -1.422 175.250 176.519 0.254 0.000 1.187 276 W CA -0.844 56.533 57.345 0.053 0.000 1.166 276 W CB 0.180 29.637 29.460 -0.005 0.000 1.437 276 W HN 0.549 nan 8.180 nan 0.000 0.551 277 H N 2.512 121.655 119.070 0.121 0.000 2.488 277 H HA 0.333 5.000 4.556 0.186 0.000 0.322 277 H C -0.433 174.958 175.328 0.104 0.000 1.078 277 H CA -1.070 54.967 56.048 -0.019 0.000 1.260 277 H CB 2.705 32.486 29.762 0.033 0.000 1.425 277 H HN 0.096 nan 8.280 nan 0.000 0.471 278 L N 4.390 125.641 121.223 0.046 0.000 2.278 278 L HA 0.200 4.651 4.340 0.186 0.000 0.287 278 L C 0.075 177.008 176.870 0.105 0.000 1.072 278 L CA -0.136 54.794 54.840 0.150 0.000 0.819 278 L CB 0.212 42.343 42.059 0.119 0.000 1.176 278 L HN 0.706 nan 8.230 nan 0.000 0.435 279 T N 1.244 115.844 114.554 0.077 0.000 2.887 279 T HA 0.530 4.992 4.350 0.186 0.000 0.288 279 T C -0.281 174.381 174.700 -0.064 0.000 1.021 279 T CA -0.612 61.535 62.100 0.078 0.000 1.000 279 T CB 1.140 70.089 68.868 0.135 0.000 1.034 279 T HN 0.616 nan 8.240 nan 0.000 0.467 280 H N 3.111 122.279 119.070 0.164 0.000 2.418 280 H HA 0.370 5.037 4.556 0.186 0.000 0.238 280 H C -0.166 175.250 175.328 0.146 0.000 1.403 280 H CA -0.725 55.432 56.048 0.182 0.000 1.419 280 H CB 0.573 30.487 29.762 0.254 0.000 1.463 280 H HN 0.625 nan 8.280 nan 0.000 0.515 281 R N 0.360 120.983 120.500 0.207 0.000 2.574 281 R HA 0.648 5.099 4.340 0.186 0.000 0.288 281 R C -1.567 174.830 176.300 0.162 0.000 1.004 281 R CA -0.887 55.312 56.100 0.166 0.000 0.895 281 R CB 1.921 32.299 30.300 0.131 0.000 1.191 281 R HN -0.045 nan 8.270 nan 0.000 0.444 282 V N 1.708 121.724 119.914 0.170 0.000 2.715 282 V HA 0.672 4.903 4.120 0.186 0.000 0.310 282 V C 0.195 176.405 176.094 0.194 0.000 1.054 282 V CA -0.901 61.530 62.300 0.219 0.000 0.928 282 V CB 1.913 33.892 31.823 0.259 0.000 1.007 282 V HN 0.984 nan 8.190 nan 0.000 0.437 283 A N 1.877 124.833 122.820 0.226 0.000 2.401 283 A HA 0.306 4.738 4.320 0.186 0.000 0.259 283 A C 0.995 178.724 177.584 0.241 0.000 1.103 283 A CA -0.296 51.852 52.037 0.185 0.000 0.789 283 A CB 0.052 19.105 19.000 0.089 0.000 1.035 283 A HN 0.913 nan 8.150 nan 0.000 0.491 284 D N 0.610 121.096 120.400 0.142 0.000 2.116 284 D HA -0.074 4.678 4.640 0.186 0.000 0.193 284 D C 0.738 177.111 176.300 0.121 0.000 0.998 284 D CA 2.084 56.145 54.000 0.102 0.000 0.836 284 D CB 0.176 41.014 40.800 0.063 0.000 0.951 284 D HN 0.436 nan 8.370 nan 0.000 0.449 285 S N -1.638 114.159 115.700 0.162 0.000 2.542 285 S HA 0.348 4.929 4.470 0.186 0.000 0.293 285 S C -0.307 174.507 174.600 0.357 0.000 1.089 285 S CA -0.670 57.639 58.200 0.181 0.000 0.961 285 S CB 0.759 64.009 63.200 0.084 0.000 1.062 285 S HN -0.142 nan 8.310 nan 0.000 0.483 286 F N 2.457 122.399 119.950 -0.014 0.000 2.727 286 F HA 0.371 5.013 4.527 0.191 0.000 0.302 286 F C 1.166 177.027 175.800 0.101 0.000 1.097 286 F CA -0.021 57.999 58.000 0.033 0.000 1.330 286 F CB -0.192 38.759 39.000 -0.081 0.000 1.084 286 F HN 0.615 nan 8.300 nan 0.000 0.578 287 S N -1.016 114.752 115.700 0.113 0.000 2.615 287 S HA 0.798 5.380 4.470 0.186 0.000 0.268 287 S C -1.160 173.331 174.600 -0.182 0.000 1.146 287 S CA -0.517 57.573 58.200 -0.183 0.000 0.818 287 S CB 1.532 64.359 63.200 -0.622 0.000 1.111 287 S HN 0.266 nan 8.310 nan 0.000 0.465 288 A N 0.591 123.252 122.820 -0.265 0.000 2.741 288 A HA 0.820 5.251 4.320 0.186 0.000 0.298 288 A C 0.800 178.290 177.584 -0.156 0.000 1.153 288 A CA 0.351 52.302 52.037 -0.143 0.000 0.816 288 A CB -0.063 18.907 19.000 -0.051 0.000 1.396 288 A HN 2.810 nan 8.150 nan 0.000 0.407 289 G N 1.956 110.659 108.800 -0.162 0.000 2.509 289 G HA2 -0.272 3.800 3.960 0.186 0.000 0.259 289 G HA3 -0.272 3.800 3.960 0.186 0.000 0.259 289 G C 0.604 175.438 174.900 -0.111 0.000 1.169 289 G CA 0.366 45.407 45.100 -0.098 0.000 0.953 289 G HN 0.927 nan 8.290 nan 0.000 0.563 290 R N -0.381 120.119 120.500 -0.001 0.000 2.325 290 R HA 0.375 4.827 4.340 0.186 0.000 0.214 290 R C 0.190 176.610 176.300 0.199 0.000 0.961 290 R CA 0.220 56.421 56.100 0.168 0.000 1.086 290 R CB 0.128 30.429 30.300 0.003 0.000 1.037 290 R HN 0.257 nan 8.270 nan 0.000 0.493 291 V N 1.314 121.210 119.914 -0.030 0.000 2.459 291 V HA 0.388 4.619 4.120 0.186 0.000 0.295 291 V C -0.519 175.454 176.094 -0.202 0.000 1.029 291 V CA -0.522 61.764 62.300 -0.024 0.000 0.874 291 V CB 1.314 33.109 31.823 -0.046 0.000 0.985 291 V HN -0.031 nan 8.190 nan 0.000 0.438 292 F N 3.871 123.803 119.950 -0.031 0.000 2.631 292 F HA 0.731 5.367 4.527 0.182 0.000 0.328 292 F C -0.136 175.631 175.800 -0.054 0.000 1.067 292 F CA -0.897 57.095 58.000 -0.014 0.000 0.969 292 F CB 1.747 40.701 39.000 -0.076 0.000 1.332 292 F HN 0.162 nan 8.300 nan 0.000 0.490 293 L N 0.758 122.097 121.223 0.194 0.000 2.362 293 L HA 0.819 5.271 4.340 0.186 0.000 0.271 293 L C -0.940 175.913 176.870 -0.028 0.000 1.002 293 L CA -0.490 54.342 54.840 -0.012 0.000 0.818 293 L CB 2.368 44.339 42.059 -0.146 0.000 1.298 293 L HN 0.599 nan 8.230 nan 0.000 0.420 294 T N 0.600 115.079 114.554 -0.125 0.000 3.012 294 T HA 0.677 5.139 4.350 0.186 0.000 0.330 294 T C -0.065 174.511 174.700 -0.207 0.000 1.321 294 T CA 0.031 62.052 62.100 -0.131 0.000 1.067 294 T CB 1.990 70.828 68.868 -0.050 0.000 1.235 294 T HN 1.138 nan 8.240 nan 0.000 0.479 295 G N 2.484 111.105 108.800 -0.300 0.000 2.527 295 G HA2 -0.207 3.864 3.960 0.186 0.000 0.227 295 G HA3 -0.207 3.864 3.960 0.186 0.000 0.227 295 G C 0.257 174.962 174.900 -0.324 0.000 1.291 295 G CA 0.450 45.423 45.100 -0.210 0.000 0.904 295 G HN 0.670 nan 8.290 nan 0.000 0.577 296 D N 0.571 120.896 120.400 -0.124 0.000 2.265 296 D HA 0.115 4.867 4.640 0.186 0.000 0.208 296 D C 2.657 178.884 176.300 -0.122 0.000 0.977 296 D CA 2.264 56.219 54.000 -0.074 0.000 0.871 296 D CB -0.507 40.285 40.800 -0.013 0.000 0.925 296 D HN 0.920 nan 8.370 nan 0.000 0.485 297 A N 0.312 123.037 122.820 -0.158 0.000 1.972 297 A HA 0.035 4.466 4.320 0.186 0.000 0.219 297 A C 2.196 179.640 177.584 -0.233 0.000 1.169 297 A CA 1.928 53.876 52.037 -0.148 0.000 0.635 297 A CB -0.357 18.565 19.000 -0.129 0.000 0.810 297 A HN 0.256 nan 8.150 nan 0.000 0.446 298 A N -0.938 121.624 122.820 -0.430 0.000 1.956 298 A HA 0.370 4.801 4.320 0.186 0.000 0.212 298 A C 0.667 177.955 177.584 -0.492 0.000 1.188 298 A CA 1.095 52.705 52.037 -0.713 0.000 0.675 298 A CB -0.101 18.201 19.000 -1.163 0.000 0.845 298 A HN 0.879 nan 8.150 nan 0.000 0.455 299 H N -2.097 116.885 119.070 -0.147 0.000 3.179 299 H HA 0.567 5.234 4.556 0.185 0.000 0.331 299 H C -0.885 174.462 175.328 0.031 0.000 1.013 299 H CA -0.262 55.790 56.048 0.006 0.000 1.430 299 H CB 0.091 29.912 29.762 0.097 0.000 1.895 299 H HN -0.002 nan 8.280 nan 0.000 0.468 300 T N 4.223 118.888 114.554 0.185 0.000 2.812 300 T HA 0.640 5.101 4.350 0.186 0.000 0.282 300 T C -0.671 174.111 174.700 0.135 0.000 0.990 300 T CA -0.649 61.537 62.100 0.144 0.000 0.960 300 T CB 0.283 69.204 68.868 0.087 0.000 0.948 300 T HN 0.653 nan 8.240 nan 0.000 0.438 301 L N 2.258 123.549 121.223 0.115 0.000 2.171 301 L HA 0.864 5.316 4.340 0.186 0.000 0.253 301 L C 0.375 177.233 176.870 -0.020 0.000 1.054 301 L CA -1.277 53.604 54.840 0.068 0.000 0.927 301 L CB 0.481 42.623 42.059 0.140 0.000 1.513 301 L HN 0.518 nan 8.230 nan 0.000 0.471 302 S N 0.857 116.508 115.700 -0.082 0.000 2.549 302 S HA 0.310 4.892 4.470 0.186 0.000 0.283 302 S C -1.421 173.149 174.600 -0.050 0.000 1.320 302 S CA -0.747 57.404 58.200 -0.081 0.000 1.058 302 S CB 0.284 63.464 63.200 -0.033 0.000 0.882 302 S HN 0.671 nan 8.310 nan 0.000 0.498 303 P HA 0.010 nan 4.420 nan 0.000 0.234 303 P C -0.156 177.046 177.300 -0.163 0.000 1.167 303 P CA 0.121 63.156 63.100 -0.108 0.000 0.763 303 P CB -0.216 31.387 31.700 -0.160 0.000 0.835 304 S N 0.460 116.065 115.700 -0.157 0.000 2.544 304 S HA 0.322 4.904 4.470 0.186 0.000 0.290 304 S C 1.687 175.988 174.600 -0.498 0.000 1.276 304 S CA 0.642 58.715 58.200 -0.212 0.000 1.075 304 S CB -0.401 62.730 63.200 -0.115 0.000 0.849 304 S HN 0.445 nan 8.310 nan 0.000 0.494 305 G N 2.549 111.051 108.800 -0.497 0.000 2.184 305 G HA2 -0.138 3.934 3.960 0.186 0.000 0.264 305 G HA3 -0.138 3.934 3.960 0.186 0.000 0.264 305 G C 0.758 175.239 174.900 -0.699 0.000 0.975 305 G CA 0.116 44.779 45.100 -0.729 0.000 0.642 305 G HN 2.004 nan 8.290 nan 0.000 0.536 306 G N -0.998 107.526 108.800 -0.461 0.000 2.363 306 G HA2 -0.028 4.044 3.960 0.186 0.000 0.286 306 G HA3 -0.028 4.044 3.960 0.186 0.000 0.286 306 G C 0.382 175.309 174.900 0.044 0.000 0.975 306 G CA 0.730 45.729 45.100 -0.169 0.000 1.309 306 G HN 0.906 nan 8.290 nan 0.000 0.491 307 F N 0.328 120.282 119.950 0.008 0.000 2.694 307 F HA 0.250 4.891 4.527 0.190 0.000 0.292 307 F C 2.536 178.351 175.800 0.025 0.000 1.121 307 F CA -0.009 57.992 58.000 0.001 0.000 1.352 307 F CB -0.909 38.057 39.000 -0.057 0.000 1.107 307 F HN 0.408 nan 8.300 nan 0.000 0.597 308 G N 1.478 110.392 108.800 0.189 0.000 2.812 308 G HA2 -0.408 3.664 3.960 0.186 0.000 0.218 308 G HA3 -0.408 3.664 3.960 0.186 0.000 0.218 308 G C 1.779 176.770 174.900 0.152 0.000 1.287 308 G CA 1.560 46.746 45.100 0.144 0.000 0.796 308 G HN 0.342 nan 8.290 nan 0.000 0.649 309 M N 0.402 120.073 119.600 0.118 0.000 2.080 309 M HA -0.127 4.464 4.480 0.186 0.000 0.260 309 M C 2.372 178.753 176.300 0.136 0.000 1.068 309 M CA 2.313 57.683 55.300 0.118 0.000 1.109 309 M CB -0.453 32.207 32.600 0.099 0.000 1.342 309 M HN 0.221 nan 8.290 nan 0.000 0.405 310 N N 0.084 118.870 118.700 0.144 0.000 2.094 310 N HA -0.161 4.690 4.740 0.186 0.000 0.191 310 N C 1.659 177.229 175.510 0.100 0.000 1.023 310 N CA 2.226 55.352 53.050 0.126 0.000 0.857 310 N CB -0.852 37.751 38.487 0.194 0.000 1.013 310 N HN 0.486 nan 8.380 nan 0.000 0.426 311 T N 0.066 114.683 114.554 0.106 0.000 2.821 311 T HA -0.048 4.414 4.350 0.186 0.000 0.267 311 T C 1.862 176.659 174.700 0.161 0.000 1.046 311 T CA 1.341 63.460 62.100 0.032 0.000 1.139 311 T CB -0.488 68.333 68.868 -0.077 0.000 0.871 311 T HN 0.423 nan 8.240 nan 0.000 0.454 312 G N 0.862 109.830 108.800 0.281 0.000 2.403 312 G HA2 -0.058 4.013 3.960 0.186 0.000 0.216 312 G HA3 -0.058 4.013 3.960 0.186 0.000 0.216 312 G C 1.527 176.533 174.900 0.178 0.000 1.154 312 G CA 0.169 45.451 45.100 0.304 0.000 0.784 312 G HN 0.468 nan 8.290 nan 0.000 0.538 313 I N 1.240 121.888 120.570 0.129 0.000 2.286 313 I HA -0.098 4.183 4.170 0.186 0.000 0.248 313 I C 3.005 179.183 176.117 0.102 0.000 1.115 313 I CA 1.007 62.363 61.300 0.095 0.000 1.392 313 I CB -0.268 37.746 38.000 0.024 0.000 1.065 313 I HN 0.258 nan 8.210 nan 0.000 0.418 314 G N -0.185 108.667 108.800 0.087 0.000 2.404 314 G HA2 -0.209 3.863 3.960 0.186 0.000 0.215 314 G HA3 -0.209 3.863 3.960 0.186 0.000 0.215 314 G C 1.726 176.727 174.900 0.167 0.000 1.174 314 G CA 0.794 45.949 45.100 0.091 0.000 0.780 314 G HN 0.340 nan 8.290 nan 0.000 0.537 315 S N 1.089 116.923 115.700 0.224 0.000 2.419 315 S HA -0.039 4.542 4.470 0.186 0.000 0.235 315 S C 2.694 177.461 174.600 0.278 0.000 1.019 315 S CA 1.166 59.575 58.200 0.348 0.000 0.982 315 S CB -0.290 63.217 63.200 0.511 0.000 0.789 315 S HN 0.603 nan 8.310 nan 0.000 0.490 316 A N 1.733 124.657 122.820 0.173 0.000 1.855 316 A HA 0.143 4.574 4.320 0.186 0.000 0.215 316 A C 2.406 180.043 177.584 0.089 0.000 1.191 316 A CA 1.614 53.698 52.037 0.079 0.000 0.613 316 A CB -1.234 17.808 19.000 0.071 0.000 0.829 316 A HN 0.520 nan 8.150 nan 0.000 0.442 317 A N -0.322 122.609 122.820 0.184 0.000 1.978 317 A HA -0.219 4.213 4.320 0.186 0.000 0.220 317 A C 1.787 179.521 177.584 0.250 0.000 1.170 317 A CA 2.285 54.468 52.037 0.244 0.000 0.636 317 A CB -0.739 18.381 19.000 0.201 0.000 0.810 317 A HN 0.596 nan 8.150 nan 0.000 0.448 318 D N -0.784 119.751 120.400 0.224 0.000 2.077 318 D HA -0.137 4.615 4.640 0.186 0.000 0.196 318 D C 1.805 178.098 176.300 -0.011 0.000 0.986 318 D CA 1.322 55.480 54.000 0.263 0.000 0.829 318 D CB -0.178 40.774 40.800 0.253 0.000 0.983 318 D HN 0.212 nan 8.370 nan 0.000 0.453 319 L N 0.487 121.595 121.223 -0.192 0.000 2.079 319 L HA 0.035 4.486 4.340 0.186 0.000 0.210 319 L C 2.051 178.637 176.870 -0.474 0.000 1.081 319 L CA 2.234 56.701 54.840 -0.623 0.000 0.752 319 L CB -1.222 40.230 42.059 -1.012 0.000 0.896 319 L HN 0.179 nan 8.230 nan 0.000 0.433 320 G N 0.290 108.960 108.800 -0.217 0.000 2.777 320 G HA2 -0.372 3.699 3.960 0.186 0.000 0.217 320 G HA3 -0.372 3.699 3.960 0.186 0.000 0.217 320 G C 1.366 176.223 174.900 -0.070 0.000 1.295 320 G CA 1.432 46.466 45.100 -0.110 0.000 0.800 320 G HN 0.707 nan 8.290 nan 0.000 0.637 321 W N 1.543 122.787 121.300 -0.093 0.000 2.342 321 W HA -0.016 4.733 4.660 0.148 0.000 0.297 321 W C 2.033 178.462 176.519 -0.151 0.000 1.213 321 W CA 1.372 58.680 57.345 -0.063 0.000 1.251 321 W CB -0.807 28.650 29.460 -0.004 0.000 1.136 321 W HN 0.254 nan 8.180 nan 0.000 0.526 322 K N 0.938 120.721 120.400 -1.029 0.000 2.063 322 K HA -0.145 4.287 4.320 0.186 0.000 0.208 322 K C 2.351 178.518 176.600 -0.723 0.000 1.048 322 K CA 1.980 57.586 56.287 -1.136 0.000 0.928 322 K CB -0.559 31.261 32.500 -1.133 0.000 0.713 322 K HN 0.220 nan 8.250 nan 0.000 0.442 323 L N 0.565 121.404 121.223 -0.639 0.000 2.046 323 L HA -0.194 4.258 4.340 0.186 0.000 0.208 323 L C 2.635 179.268 176.870 -0.394 0.000 1.077 323 L CA 1.102 55.572 54.840 -0.617 0.000 0.747 323 L CB -0.587 41.111 42.059 -0.602 0.000 0.896 323 L HN 0.230 nan 8.230 nan 0.000 0.432 324 A N -0.052 122.613 122.820 -0.258 0.000 1.902 324 A HA -0.175 4.257 4.320 0.186 0.000 0.217 324 A C 2.525 180.000 177.584 -0.181 0.000 1.181 324 A CA 1.717 53.690 52.037 -0.107 0.000 0.623 324 A CB -0.675 18.352 19.000 0.046 0.000 0.818 324 A HN 0.411 nan 8.150 nan 0.000 0.443 325 A N -1.060 121.522 122.820 -0.397 0.000 1.877 325 A HA -0.092 4.339 4.320 0.186 0.000 0.216 325 A C 2.329 179.431 177.584 -0.803 0.000 1.186 325 A CA 2.350 53.763 52.037 -1.040 0.000 0.620 325 A CB -1.265 16.827 19.000 -1.513 0.000 0.822 325 A HN 0.426 nan 8.150 nan 0.000 0.443 326 T N 0.361 114.598 114.554 -0.528 0.000 2.737 326 T HA -0.068 4.394 4.350 0.186 0.000 0.265 326 T C 1.806 176.421 174.700 -0.142 0.000 1.038 326 T CA 1.448 63.362 62.100 -0.309 0.000 1.144 326 T CB -0.401 68.294 68.868 -0.288 0.000 0.866 326 T HN 0.337 nan 8.240 nan 0.000 0.434 327 L N 0.474 121.636 121.223 -0.102 0.000 2.187 327 L HA -0.098 4.353 4.340 0.186 0.000 0.213 327 L C 2.813 179.690 176.870 0.012 0.000 1.100 327 L CA 1.042 55.895 54.840 0.022 0.000 0.765 327 L CB -0.300 41.782 42.059 0.039 0.000 0.904 327 L HN 0.063 nan 8.230 nan 0.000 0.437 328 R N -0.490 119.994 120.500 -0.027 0.000 2.161 328 R HA 0.091 4.543 4.340 0.186 0.000 0.213 328 R C 1.622 177.966 176.300 0.073 0.000 1.055 328 R CA 0.973 57.114 56.100 0.068 0.000 0.996 328 R CB -0.261 30.160 30.300 0.201 0.000 0.901 328 R HN 0.452 nan 8.270 nan 0.000 0.456 329 G N 0.244 109.036 108.800 -0.013 0.000 2.195 329 G HA2 -0.192 3.880 3.960 0.186 0.000 0.224 329 G HA3 -0.192 3.880 3.960 0.186 0.000 0.224 329 G C 0.770 175.742 174.900 0.120 0.000 0.990 329 G CA 0.261 45.381 45.100 0.033 0.000 0.639 329 G HN 0.471 nan 8.290 nan 0.000 0.514 330 W N 0.655 122.009 121.300 0.090 0.000 2.576 330 W HA 0.638 5.397 4.660 0.165 0.000 0.270 330 W C 1.004 177.591 176.519 0.114 0.000 1.255 330 W CA 0.465 57.883 57.345 0.123 0.000 1.314 330 W CB -0.832 28.736 29.460 0.180 0.000 1.101 330 W HN 0.840 nan 8.180 nan 0.000 0.595 331 A N 2.300 124.980 122.820 -0.234 0.000 2.462 331 A HA 0.446 4.878 4.320 0.186 0.000 0.243 331 A C 0.669 178.230 177.584 -0.039 0.000 1.076 331 A CA 0.475 52.360 52.037 -0.252 0.000 0.773 331 A CB -0.075 18.587 19.000 -0.563 0.000 1.010 331 A HN 0.283 nan 8.150 nan 0.000 0.493 332 G N 1.382 110.196 108.800 0.023 0.000 2.503 332 G HA2 0.449 4.520 3.960 0.186 0.000 0.257 332 G HA3 0.449 4.520 3.960 0.186 0.000 0.257 332 G C -0.902 173.994 174.900 -0.008 0.000 1.214 332 G CA -0.770 44.349 45.100 0.032 0.000 0.839 332 G HN 0.551 nan 8.290 nan 0.000 0.559 333 P HA -0.126 nan 4.420 nan 0.000 0.218 333 P C 1.631 178.932 177.300 0.002 0.000 1.146 333 P CA 1.610 64.713 63.100 0.005 0.000 0.813 333 P CB 0.124 31.834 31.700 0.017 0.000 0.778 334 G N -0.393 108.410 108.800 0.005 0.000 2.572 334 G HA2 -0.125 3.946 3.960 0.186 0.000 0.216 334 G HA3 -0.125 3.946 3.960 0.186 0.000 0.216 334 G C 1.427 176.319 174.900 -0.014 0.000 1.133 334 G CA -0.010 45.093 45.100 0.006 0.000 0.791 334 G HN 0.178 nan 8.290 nan 0.000 0.538 335 L N 0.806 122.000 121.223 -0.048 0.000 1.956 335 L HA -0.050 4.402 4.340 0.186 0.000 0.216 335 L C 2.781 179.560 176.870 -0.151 0.000 1.073 335 L CA 1.600 56.369 54.840 -0.118 0.000 0.762 335 L CB -0.613 41.321 42.059 -0.209 0.000 0.889 335 L HN 0.188 nan 8.230 nan 0.000 0.433 336 L N -0.802 120.332 121.223 -0.149 0.000 2.089 336 L HA -0.294 4.158 4.340 0.186 0.000 0.213 336 L C 2.568 179.497 176.870 0.098 0.000 1.079 336 L CA 1.339 56.126 54.840 -0.088 0.000 0.758 336 L CB -0.912 41.153 42.059 0.010 0.000 0.891 336 L HN 0.464 nan 8.230 nan 0.000 0.433 337 A N -0.115 122.749 122.820 0.074 0.000 2.019 337 A HA -0.201 4.231 4.320 0.186 0.000 0.219 337 A C 2.288 179.903 177.584 0.052 0.000 1.164 337 A CA 1.960 54.047 52.037 0.084 0.000 0.644 337 A CB -0.841 18.181 19.000 0.038 0.000 0.805 337 A HN 0.545 nan 8.150 nan 0.000 0.449 338 T N -3.769 110.789 114.554 0.007 0.000 3.163 338 T HA -0.130 4.332 4.350 0.186 0.000 0.260 338 T C 1.504 176.182 174.700 -0.037 0.000 1.156 338 T CA 1.134 63.215 62.100 -0.032 0.000 1.072 338 T CB -0.534 68.309 68.868 -0.042 0.000 0.937 338 T HN 0.485 nan 8.240 nan 0.000 0.528 339 Y N 2.140 122.384 120.300 -0.092 0.000 2.145 339 Y HA -0.009 4.650 4.550 0.180 0.000 0.286 339 Y C 2.293 178.177 175.900 -0.027 0.000 1.145 339 Y CA 1.626 59.687 58.100 -0.065 0.000 1.148 339 Y CB -0.556 37.914 38.460 0.016 0.000 0.981 339 Y HN 0.388 nan 8.280 nan 0.000 0.507 340 E N -0.023 120.025 120.200 -0.253 0.000 2.072 340 E HA -0.236 4.226 4.350 0.186 0.000 0.191 340 E C 2.259 178.580 176.600 -0.465 0.000 0.985 340 E CA 1.095 57.160 56.400 -0.558 0.000 0.801 340 E CB -0.312 29.197 29.700 -0.319 0.000 0.750 340 E HN 0.656 nan 8.360 nan 0.000 0.452 341 E N 0.030 120.082 120.200 -0.247 0.000 2.147 341 E HA -0.254 4.207 4.350 0.186 0.000 0.199 341 E C 1.696 178.187 176.600 -0.183 0.000 1.005 341 E CA 1.595 57.889 56.400 -0.176 0.000 0.810 341 E CB 0.123 29.766 29.700 -0.095 0.000 0.736 341 E HN 0.382 nan 8.360 nan 0.000 0.460 342 E N -1.040 119.014 120.200 -0.244 0.000 2.162 342 E HA 0.005 4.466 4.350 0.186 0.000 0.193 342 E C 2.220 178.711 176.600 -0.182 0.000 0.953 342 E CA -0.090 56.143 56.400 -0.278 0.000 0.849 342 E CB 0.225 29.510 29.700 -0.692 0.000 0.810 342 E HN 0.028 nan 8.360 nan 0.000 0.470 343 R N 1.000 121.351 120.500 -0.248 0.000 2.080 343 R HA 0.062 4.513 4.340 0.186 0.000 0.222 343 R C 2.198 178.389 176.300 -0.182 0.000 1.107 343 R CA 0.614 56.643 56.100 -0.119 0.000 0.980 343 R CB -0.664 29.626 30.300 -0.016 0.000 0.879 343 R HN 0.083 nan 8.270 nan 0.000 0.439 344 R N 0.829 120.973 120.500 -0.594 0.000 2.119 344 R HA -0.149 4.303 4.340 0.186 0.000 0.246 344 R C -0.821 175.354 176.300 -0.208 0.000 1.146 344 R CA 1.913 57.620 56.100 -0.656 0.000 0.962 344 R CB -1.008 28.692 30.300 -1.000 0.000 0.863 344 R HN 0.146 nan 8.270 nan 0.000 0.442 345 P HA -0.104 nan 4.420 nan 0.000 0.216 345 P C 1.381 178.670 177.300 -0.018 0.000 1.153 345 P CA 1.012 64.081 63.100 -0.051 0.000 0.848 345 P CB 0.041 31.733 31.700 -0.013 0.000 0.787 346 V N 0.409 120.294 119.914 -0.048 0.000 2.287 346 V HA -0.295 3.937 4.120 0.186 0.000 0.248 346 V C 2.483 178.462 176.094 -0.192 0.000 1.053 346 V CA 2.317 64.507 62.300 -0.182 0.000 1.027 346 V CB -1.785 29.823 31.823 -0.359 0.000 0.646 346 V HN 0.101 nan 8.190 nan 0.000 0.447 347 A N 0.008 122.724 122.820 -0.175 0.000 1.903 347 A HA -0.253 4.178 4.320 0.186 0.000 0.219 347 A C 2.187 179.753 177.584 -0.029 0.000 1.191 347 A CA 2.408 54.324 52.037 -0.202 0.000 0.638 347 A CB -0.624 18.369 19.000 -0.013 0.000 0.823 347 A HN 0.527 nan 8.150 nan 0.000 0.451 348 I N -0.092 120.493 120.570 0.025 0.000 2.202 348 I HA -0.226 4.055 4.170 0.186 0.000 0.242 348 I C 2.894 179.059 176.117 0.079 0.000 1.091 348 I CA 1.878 63.219 61.300 0.068 0.000 1.368 348 I CB -0.712 37.321 38.000 0.054 0.000 1.058 348 I HN 0.584 nan 8.210 nan 0.000 0.410 349 T N -2.552 112.044 114.554 0.071 0.000 2.881 349 T HA -0.107 4.354 4.350 0.186 0.000 0.270 349 T C 1.964 176.722 174.700 0.097 0.000 1.068 349 T CA 1.594 63.749 62.100 0.092 0.000 1.131 349 T CB -0.292 68.644 68.868 0.114 0.000 0.871 349 T HN 0.150 nan 8.240 nan 0.000 0.479 350 S N 0.928 116.678 115.700 0.082 0.000 2.371 350 S HA 0.168 4.750 4.470 0.186 0.000 0.224 350 S C 1.802 176.503 174.600 0.169 0.000 1.029 350 S CA 0.869 59.104 58.200 0.059 0.000 0.978 350 S CB -0.535 62.641 63.200 -0.039 0.000 0.833 350 S HN 0.543 nan 8.310 nan 0.000 0.466 351 L N 1.798 123.111 121.223 0.150 0.000 1.970 351 L HA -0.179 4.273 4.340 0.186 0.000 0.212 351 L C 2.451 179.463 176.870 0.236 0.000 1.071 351 L CA 1.680 56.645 54.840 0.210 0.000 0.751 351 L CB -0.414 41.775 42.059 0.216 0.000 0.889 351 L HN 0.180 nan 8.230 nan 0.000 0.432 352 E N 0.030 120.353 120.200 0.204 0.000 2.070 352 E HA -0.307 4.155 4.350 0.186 0.000 0.197 352 E C 2.026 178.707 176.600 0.134 0.000 1.004 352 E CA 1.644 58.153 56.400 0.181 0.000 0.805 352 E CB -0.340 29.453 29.700 0.155 0.000 0.744 352 E HN 0.527 nan 8.360 nan 0.000 0.451 353 E N 0.868 121.155 120.200 0.146 0.000 2.160 353 E HA -0.124 4.337 4.350 0.186 0.000 0.195 353 E C 1.742 178.464 176.600 0.204 0.000 0.991 353 E CA 1.329 57.824 56.400 0.159 0.000 0.810 353 E CB -0.229 29.558 29.700 0.145 0.000 0.742 353 E HN 0.205 nan 8.360 nan 0.000 0.466 354 A N 0.520 123.479 122.820 0.231 0.000 1.854 354 A HA -0.171 4.261 4.320 0.186 0.000 0.214 354 A C 2.218 179.839 177.584 0.062 0.000 1.192 354 A CA 1.583 53.674 52.037 0.089 0.000 0.611 354 A CB -0.986 18.074 19.000 0.100 0.000 0.832 354 A HN 0.410 nan 8.150 nan 0.000 0.442 355 N N 0.033 118.796 118.700 0.104 0.000 2.137 355 N HA -0.162 4.690 4.740 0.186 0.000 0.190 355 N C 1.446 176.940 175.510 -0.027 0.000 1.017 355 N CA 1.847 54.910 53.050 0.021 0.000 0.859 355 N CB -0.355 37.977 38.487 -0.259 0.000 1.002 355 N HN 0.166 nan 8.380 nan 0.000 0.428 356 V N 0.731 120.642 119.914 -0.005 0.000 2.255 356 V HA -0.271 3.961 4.120 0.186 0.000 0.247 356 V C 1.952 178.046 176.094 0.001 0.000 1.051 356 V CA 2.021 64.319 62.300 -0.003 0.000 1.018 356 V CB -0.779 31.054 31.823 0.016 0.000 0.641 356 V HN 0.469 nan 8.190 nan 0.000 0.445 357 N N -0.204 118.491 118.700 -0.008 0.000 2.069 357 N HA -0.222 4.630 4.740 0.186 0.000 0.191 357 N C 1.813 177.340 175.510 0.029 0.000 1.031 357 N CA 1.413 54.443 53.050 -0.033 0.000 0.852 357 N CB -0.225 38.192 38.487 -0.118 0.000 1.018 357 N HN 0.310 nan 8.380 nan 0.000 0.423 358 L N 2.183 123.438 121.223 0.054 0.000 1.971 358 L HA -0.184 4.268 4.340 0.186 0.000 0.215 358 L C 2.205 179.154 176.870 0.132 0.000 1.072 358 L CA 1.711 56.627 54.840 0.126 0.000 0.758 358 L CB -0.559 41.592 42.059 0.153 0.000 0.889 358 L HN 0.074 nan 8.230 nan 0.000 0.433 359 R N -0.288 120.255 120.500 0.073 0.000 2.103 359 R HA -0.208 4.244 4.340 0.186 0.000 0.242 359 R C 2.356 178.693 176.300 0.062 0.000 1.142 359 R CA 1.632 57.767 56.100 0.059 0.000 0.960 359 R CB -0.979 29.327 30.300 0.009 0.000 0.858 359 R HN 0.475 nan 8.270 nan 0.000 0.439 360 R N 0.238 120.765 120.500 0.046 0.000 2.226 360 R HA -0.136 4.316 4.340 0.186 0.000 0.246 360 R C 1.273 177.613 176.300 0.068 0.000 1.161 360 R CA 1.891 58.010 56.100 0.032 0.000 0.997 360 R CB 0.045 30.348 30.300 0.005 0.000 0.870 360 R HN 0.180 nan 8.270 nan 0.000 0.465 361 T N -0.014 114.617 114.554 0.128 0.000 2.988 361 T HA 0.044 4.506 4.350 0.186 0.000 0.240 361 T C 1.680 176.465 174.700 0.141 0.000 1.014 361 T CA 0.502 62.706 62.100 0.173 0.000 1.155 361 T CB 0.036 69.074 68.868 0.284 0.000 0.872 361 T HN 0.050 nan 8.240 nan 0.000 0.440 362 M N 2.141 121.853 119.600 0.186 0.000 2.144 362 M HA -0.115 4.477 4.480 0.186 0.000 0.260 362 M C 1.524 177.883 176.300 0.099 0.000 1.067 362 M CA 1.476 56.882 55.300 0.177 0.000 1.095 362 M CB -1.124 31.591 32.600 0.192 0.000 1.365 362 M HN 0.201 nan 8.290 nan 0.000 0.406 363 D N -0.462 119.982 120.400 0.074 0.000 2.110 363 D HA -0.049 4.702 4.640 0.186 0.000 0.202 363 D C 1.053 177.371 176.300 0.029 0.000 0.975 363 D CA 0.329 54.354 54.000 0.042 0.000 0.839 363 D CB -0.349 40.466 40.800 0.026 0.000 0.996 363 D HN 0.276 nan 8.370 nan 0.000 0.464 364 R N 2.320 122.837 120.500 0.028 0.000 2.584 364 R HA -0.101 4.350 4.340 0.186 0.000 0.315 364 R C 0.119 176.430 176.300 0.018 0.000 0.863 364 R CA 0.394 56.503 56.100 0.015 0.000 1.139 364 R CB 0.057 30.375 30.300 0.029 0.000 0.880 364 R HN 0.262 nan 8.270 nan 0.000 0.413 365 E N 4.587 124.790 120.200 0.005 0.000 2.280 365 E HA 0.311 4.772 4.350 0.186 0.000 0.264 365 E C -0.715 175.889 176.600 0.007 0.000 1.064 365 E CA -0.819 55.585 56.400 0.005 0.000 0.900 365 E CB 0.943 30.642 29.700 -0.003 0.000 1.123 365 E HN 0.449 nan 8.360 nan 0.000 0.418 366 L N 1.655 122.880 121.223 0.003 0.000 2.324 366 L HA 0.401 4.853 4.340 0.186 0.000 0.274 366 L C -2.301 174.553 176.870 -0.027 0.000 1.012 366 L CA -2.269 52.571 54.840 -0.000 0.000 0.859 366 L CB 1.068 43.130 42.059 0.006 0.000 1.224 366 L HN 0.381 nan 8.230 nan 0.000 0.429 367 P HA 0.134 nan 4.420 nan 0.000 0.267 367 P C -1.931 175.323 177.300 -0.075 0.000 1.209 367 P CA -0.883 62.192 63.100 -0.041 0.000 0.763 367 P CB 0.355 32.037 31.700 -0.031 0.000 0.816 368 P HA -0.118 nan 4.420 nan 0.000 0.219 368 P C 0.970 178.203 177.300 -0.110 0.000 1.144 368 P CA 1.422 64.463 63.100 -0.097 0.000 0.806 368 P CB 0.037 31.702 31.700 -0.058 0.000 0.771 369 G N -0.894 107.861 108.800 -0.075 0.000 4.125 369 G HA2 0.171 4.243 3.960 0.186 0.000 0.301 369 G HA3 0.171 4.243 3.960 0.186 0.000 0.301 369 G C 0.560 175.439 174.900 -0.034 0.000 1.273 369 G CA -0.134 44.936 45.100 -0.050 0.000 1.095 369 G HN 0.159 nan 8.290 nan 0.000 0.582 370 L N -1.334 119.850 121.223 -0.064 0.000 2.554 370 L HA 0.373 4.825 4.340 0.186 0.000 0.225 370 L C 1.584 178.581 176.870 0.212 0.000 1.104 370 L CA 0.976 55.838 54.840 0.036 0.000 0.866 370 L CB -0.360 41.725 42.059 0.044 0.000 1.047 370 L HN 0.437 nan 8.230 nan 0.000 0.468 371 H N -1.354 117.751 119.070 0.059 0.000 2.551 371 H HA 0.180 4.848 4.556 0.186 0.000 0.271 371 H C -0.287 175.113 175.328 0.121 0.000 0.984 371 H CA -0.666 55.448 56.048 0.111 0.000 1.164 371 H CB 0.369 30.177 29.762 0.078 0.000 1.437 371 H HN 0.289 nan 8.280 nan 0.000 0.550 372 D N 1.117 121.613 120.400 0.160 0.000 2.399 372 D HA -0.034 4.718 4.640 0.186 0.000 0.241 372 D C 0.258 176.614 176.300 0.093 0.000 1.133 372 D CA 0.371 54.431 54.000 0.100 0.000 0.890 372 D CB 0.995 41.817 40.800 0.037 0.000 1.201 372 D HN 0.351 nan 8.370 nan 0.000 0.432 373 D N -0.337 120.143 120.400 0.133 0.000 2.342 373 D HA 0.253 5.004 4.640 0.186 0.000 0.221 373 D C 0.759 177.098 176.300 0.064 0.000 1.101 373 D CA -0.103 54.012 54.000 0.191 0.000 0.837 373 D CB 0.536 41.460 40.800 0.207 0.000 0.938 373 D HN 0.343 nan 8.370 nan 0.000 0.508 374 G N 0.512 109.318 108.800 0.008 0.000 2.685 374 G HA2 0.340 4.412 3.960 0.186 0.000 0.298 374 G HA3 0.340 4.412 3.960 0.186 0.000 0.298 374 G C -1.732 173.152 174.900 -0.027 0.000 1.277 374 G CA -1.457 43.643 45.100 -0.000 0.000 0.986 374 G HN -0.254 nan 8.290 nan 0.000 0.487 375 P HA -0.260 nan 4.420 nan 0.000 0.219 375 P C 1.515 178.800 177.300 -0.025 0.000 1.147 375 P CA 1.003 64.091 63.100 -0.020 0.000 0.821 375 P CB 0.224 31.920 31.700 -0.007 0.000 0.771 376 R N 0.505 120.993 120.500 -0.021 0.000 2.082 376 R HA -0.075 4.377 4.340 0.186 0.000 0.228 376 R C 2.530 178.811 176.300 -0.031 0.000 1.140 376 R CA 2.143 58.231 56.100 -0.020 0.000 0.920 376 R CB -1.535 28.758 30.300 -0.012 0.000 0.828 376 R HN 0.124 nan 8.270 nan 0.000 0.430 377 G N -0.780 107.996 108.800 -0.040 0.000 2.564 377 G HA2 -0.274 3.798 3.960 0.186 0.000 0.216 377 G HA3 -0.274 3.798 3.960 0.186 0.000 0.216 377 G C 1.419 176.263 174.900 -0.093 0.000 1.124 377 G CA 1.111 46.176 45.100 -0.057 0.000 0.764 377 G HN 0.686 nan 8.290 nan 0.000 0.550 378 E N -0.271 119.877 120.200 -0.087 0.000 2.230 378 E HA 0.149 4.611 4.350 0.186 0.000 0.192 378 E C 2.431 179.006 176.600 -0.042 0.000 0.987 378 E CA 1.449 57.800 56.400 -0.081 0.000 0.841 378 E CB -0.599 29.064 29.700 -0.062 0.000 0.783 378 E HN 0.626 nan 8.360 nan 0.000 0.481 379 R N -0.122 120.358 120.500 -0.032 0.000 2.105 379 R HA 0.469 4.921 4.340 0.186 0.000 0.214 379 R C 2.654 178.940 176.300 -0.024 0.000 1.091 379 R CA 1.312 57.399 56.100 -0.023 0.000 1.007 379 R CB -1.407 28.882 30.300 -0.019 0.000 0.912 379 R HN 0.991 nan 8.270 nan 0.000 0.450 380 I N 0.807 121.362 120.570 -0.025 0.000 3.241 380 I HA 0.159 4.441 4.170 0.186 0.000 0.280 380 I C 2.227 178.334 176.117 -0.017 0.000 1.320 380 I CA 1.880 63.167 61.300 -0.022 0.000 1.413 380 I CB -0.937 37.051 38.000 -0.021 0.000 1.060 380 I HN 0.542 nan 8.210 nan 0.000 0.500 381 R N -0.118 120.372 120.500 -0.017 0.000 2.119 381 R HA 0.325 4.777 4.340 0.186 0.000 0.202 381 R C 2.378 178.680 176.300 0.003 0.000 1.114 381 R CA 1.056 57.157 56.100 0.002 0.000 1.089 381 R CB -0.077 30.218 30.300 -0.007 0.000 1.000 381 R HN 0.450 nan 8.270 nan 0.000 0.487 382 A N 0.702 123.519 122.820 -0.004 0.000 2.259 382 A HA 0.004 4.435 4.320 0.186 0.000 0.212 382 A C 1.891 179.455 177.584 -0.034 0.000 1.178 382 A CA 1.403 53.437 52.037 -0.005 0.000 0.734 382 A CB -0.402 18.597 19.000 -0.001 0.000 0.774 382 A HN 0.523 nan 8.150 nan 0.000 0.481 383 A N -0.579 122.219 122.820 -0.037 0.000 1.861 383 A HA 0.113 4.545 4.320 0.186 0.000 0.212 383 A C 2.019 179.556 177.584 -0.079 0.000 1.199 383 A CA 1.281 53.286 52.037 -0.053 0.000 0.613 383 A CB -0.814 18.162 19.000 -0.041 0.000 0.846 383 A HN 0.425 nan 8.150 nan 0.000 0.446 384 V N 0.573 120.450 119.914 -0.063 0.000 2.568 384 V HA -0.262 3.970 4.120 0.186 0.000 0.253 384 V C 2.888 178.888 176.094 -0.156 0.000 1.072 384 V CA 1.743 63.994 62.300 -0.081 0.000 1.084 384 V CB -1.563 30.243 31.823 -0.029 0.000 0.676 384 V HN 0.593 nan 8.190 nan 0.000 0.469 385 A N 0.511 123.241 122.820 -0.150 0.000 1.835 385 A HA -0.218 4.213 4.320 0.186 0.000 0.215 385 A C 2.432 179.750 177.584 -0.443 0.000 1.199 385 A CA 2.478 54.349 52.037 -0.278 0.000 0.615 385 A CB -1.087 17.841 19.000 -0.120 0.000 0.838 385 A HN 0.577 nan 8.150 nan 0.000 0.444 386 E N 0.354 120.391 120.200 -0.273 0.000 2.114 386 E HA -0.312 4.150 4.350 0.186 0.000 0.199 386 E C 1.976 178.413 176.600 -0.272 0.000 1.008 386 E CA 2.106 58.357 56.400 -0.247 0.000 0.810 386 E CB -0.805 28.808 29.700 -0.144 0.000 0.739 386 E HN 0.774 nan 8.360 nan 0.000 0.456 387 K N -0.525 119.732 120.400 -0.237 0.000 2.009 387 K HA 0.001 4.433 4.320 0.186 0.000 0.210 387 K C 2.475 178.901 176.600 -0.290 0.000 1.049 387 K CA 1.402 57.563 56.287 -0.211 0.000 0.929 387 K CB -0.341 32.063 32.500 -0.158 0.000 0.714 387 K HN 0.335 nan 8.250 nan 0.000 0.440 388 L N 0.963 121.934 121.223 -0.419 0.000 2.012 388 L HA -0.245 4.206 4.340 0.186 0.000 0.210 388 L C 2.658 179.178 176.870 -0.584 0.000 1.073 388 L CA 1.351 55.859 54.840 -0.554 0.000 0.748 388 L CB -0.342 41.244 42.059 -0.788 0.000 0.891 388 L HN 0.242 nan 8.230 nan 0.000 0.431 389 E N 0.605 120.335 120.200 -0.784 0.000 2.085 389 E HA -0.234 4.228 4.350 0.186 0.000 0.194 389 E C 2.167 178.622 176.600 -0.241 0.000 0.994 389 E CA 1.592 57.668 56.400 -0.539 0.000 0.801 389 E CB -0.002 29.405 29.700 -0.489 0.000 0.743 389 E HN 0.305 nan 8.360 nan 0.000 0.453 390 R N -0.067 120.299 120.500 -0.224 0.000 2.240 390 R HA 0.076 4.528 4.340 0.186 0.000 0.203 390 R C 2.267 178.496 176.300 -0.119 0.000 1.011 390 R CA 0.856 56.875 56.100 -0.136 0.000 1.007 390 R CB -0.134 30.096 30.300 -0.117 0.000 0.911 390 R HN 0.250 nan 8.270 nan 0.000 0.468 391 S N 0.507 116.114 115.700 -0.155 0.000 2.595 391 S HA -0.011 4.571 4.470 0.186 0.000 0.235 391 S C 1.196 175.741 174.600 -0.092 0.000 0.974 391 S CA 0.382 58.509 58.200 -0.123 0.000 0.942 391 S CB -0.268 62.840 63.200 -0.154 0.000 0.766 391 S HN 0.460 nan 8.310 nan 0.000 0.536 392 G N 0.665 109.417 108.800 -0.079 0.000 2.363 392 G HA2 -0.055 4.017 3.960 0.186 0.000 0.286 392 G HA3 -0.055 4.017 3.960 0.186 0.000 0.286 392 G C 0.580 175.459 174.900 -0.034 0.000 0.975 392 G CA 0.074 45.152 45.100 -0.036 0.000 1.309 392 G HN 1.190 nan 8.290 nan 0.000 0.491 393 A N 1.039 123.839 122.820 -0.034 0.000 2.169 393 A HA 0.353 4.784 4.320 0.186 0.000 0.210 393 A C 2.186 179.826 177.584 0.094 0.000 1.168 393 A CA 1.313 53.336 52.037 -0.023 0.000 0.813 393 A CB -0.039 18.878 19.000 -0.137 0.000 0.861 393 A HN 1.125 nan 8.150 nan 0.000 0.481 394 R N 0.541 121.139 120.500 0.163 0.000 2.280 394 R HA 0.013 4.465 4.340 0.186 0.000 0.207 394 R C 1.503 177.907 176.300 0.174 0.000 1.043 394 R CA 1.185 57.463 56.100 0.297 0.000 1.006 394 R CB -0.569 29.875 30.300 0.241 0.000 0.885 394 R HN 0.455 nan 8.270 nan 0.000 0.467 395 R N 0.696 121.223 120.500 0.046 0.000 2.152 395 R HA -0.101 4.351 4.340 0.186 0.000 0.232 395 R C 1.762 178.007 176.300 -0.091 0.000 1.117 395 R CA 1.495 57.601 56.100 0.010 0.000 0.981 395 R CB -0.341 29.960 30.300 0.001 0.000 0.870 395 R HN 0.479 nan 8.270 nan 0.000 0.451 396 E N 0.180 120.178 120.200 -0.336 0.000 2.472 396 E HA -0.124 4.338 4.350 0.186 0.000 0.200 396 E C 0.203 176.279 176.600 -0.874 0.000 1.046 396 E CA 0.721 56.721 56.400 -0.667 0.000 0.871 396 E CB 0.224 29.357 29.700 -0.945 0.000 0.806 396 E HN 0.314 nan 8.360 nan 0.000 0.533 397 F N -0.767 119.209 119.950 0.045 0.000 2.767 397 F HA 0.289 4.928 4.527 0.187 0.000 0.323 397 F C 0.193 176.059 175.800 0.111 0.000 1.091 397 F CA -0.536 57.492 58.000 0.047 0.000 1.192 397 F CB 0.886 39.905 39.000 0.032 0.000 1.056 397 F HN -0.188 nan 8.300 nan 0.000 0.571 398 D N 1.220 121.751 120.400 0.217 0.000 2.358 398 D HA 0.564 5.316 4.640 0.186 0.000 0.253 398 D C -0.559 175.835 176.300 0.156 0.000 1.288 398 D CA 0.077 54.202 54.000 0.209 0.000 0.950 398 D CB 1.358 42.277 40.800 0.199 0.000 1.197 398 D HN 0.084 nan 8.370 nan 0.000 0.550 399 A N 4.811 127.729 122.820 0.163 0.000 2.959 399 A HA 0.361 4.793 4.320 0.186 0.000 0.280 399 A C -1.528 176.006 177.584 -0.082 0.000 0.953 399 A CA -0.698 51.356 52.037 0.029 0.000 1.047 399 A CB 0.591 19.592 19.000 0.003 0.000 1.147 399 A HN 0.332 nan 8.150 nan 0.000 0.489 400 P HA -0.227 nan 4.420 nan 0.000 0.218 400 P C 1.675 178.649 177.300 -0.544 0.000 1.146 400 P CA 2.127 65.206 63.100 -0.035 0.000 0.820 400 P CB 0.039 31.866 31.700 0.211 0.000 0.778 401 G N 0.936 109.481 108.800 -0.425 0.000 2.480 401 G HA2 -0.228 3.843 3.960 0.186 0.000 0.216 401 G HA3 -0.228 3.843 3.960 0.186 0.000 0.216 401 G C 1.613 176.111 174.900 -0.669 0.000 1.200 401 G CA 0.556 45.330 45.100 -0.545 0.000 0.782 401 G HN 0.135 nan 8.290 nan 0.000 0.554 402 I N 0.819 121.004 120.570 -0.642 0.000 2.208 402 I HA -0.138 4.144 4.170 0.186 0.000 0.245 402 I C 2.506 178.185 176.117 -0.731 0.000 1.097 402 I CA 1.299 62.109 61.300 -0.817 0.000 1.363 402 I CB -1.077 36.239 38.000 -1.139 0.000 1.051 402 I HN 0.238 nan 8.210 nan 0.000 0.413 403 H N -0.417 118.280 119.070 -0.622 0.000 2.317 403 H HA -0.019 4.648 4.556 0.185 0.000 0.304 403 H C 2.182 177.112 175.328 -0.665 0.000 1.067 403 H CA 1.499 57.149 56.048 -0.664 0.000 1.352 403 H CB -0.451 28.762 29.762 -0.915 0.000 1.398 403 H HN 0.302 nan 8.280 nan 0.000 0.510 404 F N 0.069 119.761 119.950 -0.429 0.000 2.714 404 F HA 0.193 4.829 4.527 0.183 0.000 0.294 404 F C 2.328 177.850 175.800 -0.464 0.000 1.120 404 F CA 0.139 57.854 58.000 -0.476 0.000 1.398 404 F CB -0.084 38.480 39.000 -0.727 0.000 1.120 404 F HN 0.118 nan 8.300 nan 0.000 0.589 405 G N -0.443 108.017 108.800 -0.566 0.000 2.707 405 G HA2 -0.149 3.923 3.960 0.186 0.000 0.192 405 G HA3 -0.149 3.923 3.960 0.186 0.000 0.192 405 G C -0.216 174.590 174.900 -0.155 0.000 1.471 405 G CA 0.155 45.073 45.100 -0.303 0.000 0.865 405 G HN 0.372 nan 8.290 nan 0.000 0.529 406 H N 0.225 119.230 119.070 -0.108 0.000 1.994 406 H HA -0.110 4.556 4.556 0.183 0.000 0.281 406 H C -0.269 174.952 175.328 -0.178 0.000 0.726 406 H CA 1.153 57.133 56.048 -0.114 0.000 0.946 406 H CB -1.308 28.382 29.762 -0.120 0.000 1.427 406 H HN 0.225 nan 8.280 nan 0.000 0.238 407 T N 5.254 119.803 114.554 -0.008 0.000 2.772 407 T HA 0.288 4.750 4.350 0.186 0.000 0.288 407 T C 0.134 174.868 174.700 0.057 0.000 0.994 407 T CA -0.707 61.358 62.100 -0.058 0.000 0.951 407 T CB 0.395 69.256 68.868 -0.012 0.000 0.933 407 T HN 0.206 nan 8.240 nan 0.000 0.447 408 Y N 2.223 122.629 120.300 0.175 0.000 2.411 408 Y HA 0.436 5.088 4.550 0.171 0.000 0.333 408 Y C 0.999 176.965 175.900 0.110 0.000 1.186 408 Y CA -0.977 57.213 58.100 0.151 0.000 1.381 408 Y CB 0.392 38.966 38.460 0.191 0.000 1.273 408 Y HN 0.452 nan 8.280 nan 0.000 0.546 409 R N 1.820 122.473 120.500 0.254 0.000 2.629 409 R HA 0.490 4.942 4.340 0.186 0.000 0.275 409 R C -1.419 174.957 176.300 0.128 0.000 1.719 409 R CA -0.259 55.935 56.100 0.156 0.000 1.472 409 R CB 0.109 30.474 30.300 0.109 0.000 1.237 409 R HN 0.711 nan 8.270 nan 0.000 0.589 410 S N 0.041 115.822 115.700 0.135 0.000 2.720 410 S HA 0.278 4.860 4.470 0.186 0.000 0.287 410 S C 0.726 175.383 174.600 0.094 0.000 1.168 410 S CA -0.160 58.095 58.200 0.091 0.000 0.832 410 S CB 1.076 64.312 63.200 0.061 0.000 1.166 410 S HN 0.456 nan 8.310 nan 0.000 0.493 411 S N 0.401 116.143 115.700 0.069 0.000 2.461 411 S HA -0.158 4.424 4.470 0.186 0.000 0.246 411 S C 1.371 176.031 174.600 0.100 0.000 1.007 411 S CA 1.408 59.650 58.200 0.071 0.000 0.976 411 S CB -1.236 61.993 63.200 0.049 0.000 0.763 411 S HN 1.129 nan 8.310 nan 0.000 0.508 412 I N -1.869 118.779 120.570 0.129 0.000 3.936 412 I HA 0.519 4.801 4.170 0.186 0.000 0.330 412 I C -0.731 175.521 176.117 0.224 0.000 1.509 412 I CA -0.703 60.706 61.300 0.181 0.000 1.126 412 I CB 0.737 38.868 38.000 0.219 0.000 1.115 412 I HN -0.008 nan 8.210 nan 0.000 0.424 413 V N 1.408 121.441 119.914 0.198 0.000 2.448 413 V HA 0.245 4.477 4.120 0.186 0.000 0.295 413 V C 0.087 176.293 176.094 0.186 0.000 1.025 413 V CA -0.548 61.882 62.300 0.217 0.000 0.859 413 V CB 1.491 33.446 31.823 0.220 0.000 0.988 413 V HN 0.351 nan 8.190 nan 0.000 0.431 414 C N 5.280 124.709 119.300 0.214 0.000 2.518 414 C HA 0.450 5.021 4.460 0.186 0.000 0.456 414 C C 1.469 176.537 174.990 0.129 0.000 1.016 414 C CA -0.786 58.351 59.018 0.199 0.000 1.210 414 C CB -1.623 26.309 27.740 0.321 0.000 1.542 414 C HN 1.036 nan 8.230 nan 0.000 0.545 415 G N 2.293 111.155 108.800 0.104 0.000 2.554 415 G HA2 0.304 4.376 3.960 0.186 0.000 0.238 415 G HA3 0.304 4.376 3.960 0.186 0.000 0.238 415 G C -0.026 174.895 174.900 0.035 0.000 1.259 415 G CA -0.171 44.969 45.100 0.066 0.000 0.843 415 G HN 0.749 nan 8.290 nan 0.000 0.582 416 E N 0.882 121.086 120.200 0.006 0.000 2.561 416 E HA 0.275 4.737 4.350 0.186 0.000 0.254 416 E C -1.444 175.155 176.600 -0.002 0.000 1.213 416 E CA -1.207 55.185 56.400 -0.014 0.000 0.995 416 E CB -0.088 29.584 29.700 -0.046 0.000 1.233 416 E HN 0.347 nan 8.360 nan 0.000 0.556 423 T N 0.385 114.932 114.554 -0.012 0.000 2.604 423 T HA 0.807 5.268 4.350 0.186 0.000 0.267 423 T C 0.447 175.142 174.700 -0.009 0.000 0.923 423 T CA -0.142 61.947 62.100 -0.019 0.000 1.077 423 T CB 1.602 70.447 68.868 -0.038 0.000 1.392 423 T HN 1.577 nan 8.240 nan 0.000 0.531 424 G N -0.218 108.574 108.800 -0.013 0.000 2.955 424 G HA2 0.551 4.622 3.960 0.186 0.000 0.336 424 G HA3 0.551 4.622 3.960 0.186 0.000 0.336 424 G C 0.101 175.001 174.900 0.000 0.000 1.264 424 G CA -0.202 44.897 45.100 -0.003 0.000 1.096 424 G HN 1.184 nan 8.290 nan 0.000 0.486 425 G N 1.153 109.968 108.800 0.025 0.000 3.435 425 G HA2 -0.010 4.062 3.960 0.186 0.000 0.683 425 G HA3 -0.010 4.062 3.960 0.186 0.000 0.683 425 G C -0.309 174.623 174.900 0.054 0.000 1.189 425 G CA -0.688 44.438 45.100 0.043 0.000 1.069 425 G HN 0.971 nan 8.290 nan 0.000 0.508 426 W N 4.380 125.643 121.300 -0.061 0.000 2.170 426 W HA 0.679 5.447 4.660 0.180 0.000 0.342 426 W C 0.436 176.900 176.519 -0.091 0.000 1.294 426 W CA 0.007 57.310 57.345 -0.071 0.000 1.246 426 W CB 0.542 29.971 29.460 -0.052 0.000 1.156 426 W HN 0.631 nan 8.180 nan 0.000 0.572 427 R N 5.085 124.836 120.500 -1.248 0.000 2.584 427 R HA 0.245 4.697 4.340 0.186 0.000 0.276 427 R C -2.584 172.783 176.300 -1.555 0.000 1.046 427 R CA -2.001 53.380 56.100 -1.199 0.000 0.906 427 R CB 1.338 31.293 30.300 -0.575 0.000 1.215 427 R HN 0.271 nan 8.270 nan 0.000 0.449 428 P HA -0.009 nan 4.420 nan 0.000 0.262 428 P C -0.494 176.516 177.300 -0.483 0.000 1.182 428 P CA 0.438 63.086 63.100 -0.753 0.000 0.761 428 P CB 0.730 32.180 31.700 -0.417 0.000 0.795 429 S N 2.156 117.644 115.700 -0.353 0.000 2.671 429 S HA 0.761 5.343 4.470 0.186 0.000 0.299 429 S C 0.057 174.465 174.600 -0.320 0.000 1.116 429 S CA -0.147 57.873 58.200 -0.301 0.000 0.912 429 S CB 1.484 64.543 63.200 -0.235 0.000 1.130 429 S HN 0.286 nan 8.310 nan 0.000 0.501 430 A N 1.440 124.062 122.820 -0.329 0.000 2.585 430 A HA 0.339 4.771 4.320 0.186 0.000 0.266 430 A C 0.523 177.980 177.584 -0.212 0.000 1.178 430 A CA -0.389 51.421 52.037 -0.379 0.000 0.966 430 A CB -0.231 18.433 19.000 -0.561 0.000 1.170 430 A HN 0.878 nan 8.150 nan 0.000 0.558 431 R N 0.379 120.773 120.500 -0.177 0.000 2.698 431 R HA 0.240 4.692 4.340 0.186 0.000 0.266 431 R C -2.745 173.504 176.300 -0.085 0.000 1.026 431 R CA -0.716 55.310 56.100 -0.124 0.000 1.102 431 R CB -0.665 29.572 30.300 -0.106 0.000 0.978 431 R HN -0.042 nan 8.270 nan 0.000 0.436 432 P HA -0.029 nan 4.420 nan 0.000 0.264 432 P C 0.498 177.829 177.300 0.052 0.000 1.183 432 P CA 1.620 64.735 63.100 0.025 0.000 0.763 432 P CB 0.760 32.489 31.700 0.048 0.000 0.807 433 G N 1.160 110.027 108.800 0.111 0.000 2.213 433 G HA2 -0.145 3.927 3.960 0.186 0.000 0.236 433 G HA3 -0.145 3.927 3.960 0.186 0.000 0.236 433 G C 0.389 175.269 174.900 -0.034 0.000 0.991 433 G CA 0.061 45.260 45.100 0.166 0.000 0.629 433 G HN 0.852 nan 8.290 nan 0.000 0.517 434 A N -0.012 122.712 122.820 -0.160 0.000 2.256 434 A HA 0.824 5.256 4.320 0.186 0.000 0.318 434 A C 0.666 177.866 177.584 -0.639 0.000 1.103 434 A CA 0.353 52.165 52.037 -0.375 0.000 0.860 434 A CB 0.542 19.423 19.000 -0.199 0.000 1.182 434 A HN 1.046 nan 8.150 nan 0.000 0.501 435 R N 1.214 121.285 120.500 -0.716 0.000 2.248 435 R HA 0.454 4.906 4.340 0.186 0.000 0.328 435 R C 0.107 176.310 176.300 -0.161 0.000 1.067 435 R CA 0.123 55.931 56.100 -0.487 0.000 0.924 435 R CB 0.214 30.387 30.300 -0.211 0.000 1.013 435 R HN 0.871 nan 8.270 nan 0.000 0.454 436 A N 7.294 130.052 122.820 -0.104 0.000 2.591 436 A HA 0.104 4.536 4.320 0.186 0.000 0.244 436 A C -1.866 175.765 177.584 0.077 0.000 1.031 436 A CA -0.783 51.236 52.037 -0.031 0.000 0.767 436 A CB -0.337 18.738 19.000 0.125 0.000 0.942 436 A HN 0.727 nan 8.150 nan 0.000 0.514 437 P HA 0.067 nan 4.420 nan 0.000 0.272 437 P C -0.466 176.925 177.300 0.152 0.000 1.230 437 P CA 0.051 63.150 63.100 -0.001 0.000 0.788 437 P CB 0.517 32.116 31.700 -0.168 0.000 0.949 438 H N 0.757 119.806 119.070 -0.035 0.000 2.511 438 H HA 0.599 5.266 4.556 0.185 0.000 0.346 438 H C -1.043 174.194 175.328 -0.151 0.000 1.128 438 H CA -0.246 55.719 56.048 -0.137 0.000 1.342 438 H CB 0.519 30.119 29.762 -0.270 0.000 1.470 438 H HN 0.648 nan 8.280 nan 0.000 0.546 439 A N 3.848 126.039 122.820 -1.050 0.000 2.573 439 A HA 0.270 4.702 4.320 0.186 0.000 0.299 439 A C -1.883 175.279 177.584 -0.703 0.000 1.060 439 A CA -0.837 50.690 52.037 -0.849 0.000 0.736 439 A CB 0.150 18.998 19.000 -0.254 0.000 1.280 439 A HN 0.690 nan 8.150 nan 0.000 0.401 440 W N 2.705 123.854 121.300 -0.251 0.000 2.304 440 W HA 0.479 5.253 4.660 0.191 0.000 0.313 440 W C 0.996 177.491 176.519 -0.039 0.000 1.323 440 W CA -0.096 57.211 57.345 -0.064 0.000 1.223 440 W CB 0.787 30.241 29.460 -0.010 0.000 1.237 440 W HN 0.623 nan 8.180 nan 0.000 0.535 441 L N 2.147 123.484 121.223 0.190 0.000 2.298 441 L HA 0.159 4.611 4.340 0.186 0.000 0.209 441 L C 0.566 177.517 176.870 0.134 0.000 1.084 441 L CA 1.005 55.909 54.840 0.107 0.000 0.816 441 L CB -0.089 41.992 42.059 0.037 0.000 0.967 441 L HN 0.326 nan 8.230 nan 0.000 0.460 442 T N -1.642 113.032 114.554 0.199 0.000 2.923 442 T HA 0.233 4.695 4.350 0.186 0.000 0.311 442 T C -2.260 172.537 174.700 0.161 0.000 1.183 442 T CA -0.824 61.358 62.100 0.136 0.000 1.020 442 T CB 2.260 71.186 68.868 0.097 0.000 1.165 442 T HN -0.333 nan 8.240 nan 0.000 0.482 443 P HA -0.090 nan 4.420 nan 0.000 0.224 443 P C 1.258 178.398 177.300 -0.267 0.000 1.142 443 P CA 1.096 64.061 63.100 -0.225 0.000 0.778 443 P CB 0.024 31.606 31.700 -0.197 0.000 0.764 444 T N -8.116 106.440 114.554 0.004 0.000 3.010 444 T HA 0.162 4.624 4.350 0.186 0.000 0.257 444 T C 0.516 175.376 174.700 0.266 0.000 1.020 444 T CA 0.018 62.166 62.100 0.080 0.000 0.938 444 T CB -0.193 68.700 68.868 0.041 0.000 1.049 444 T HN -0.158 nan 8.240 nan 0.000 0.522 445 T N 2.106 116.876 114.554 0.361 0.000 2.847 445 T HA 0.606 5.067 4.350 0.186 0.000 0.291 445 T C -0.714 174.150 174.700 0.273 0.000 0.998 445 T CA -0.527 61.736 62.100 0.272 0.000 0.967 445 T CB 1.726 70.664 68.868 0.117 0.000 0.954 445 T HN 0.254 nan 8.240 nan 0.000 0.441 446 S N 1.709 117.442 115.700 0.055 0.000 2.585 446 S HA 0.316 4.898 4.470 0.186 0.000 0.277 446 S C 1.841 176.317 174.600 -0.207 0.000 1.241 446 S CA -0.239 57.830 58.200 -0.218 0.000 1.041 446 S CB 0.825 63.789 63.200 -0.394 0.000 0.987 446 S HN 0.833 nan 8.310 nan 0.000 0.512 447 T N 3.186 117.608 114.554 -0.221 0.000 2.803 447 T HA -0.143 4.319 4.350 0.186 0.000 0.269 447 T C 1.701 176.029 174.700 -0.620 0.000 1.052 447 T CA 1.122 63.033 62.100 -0.315 0.000 1.136 447 T CB -0.458 68.348 68.868 -0.103 0.000 0.864 447 T HN 0.445 nan 8.240 nan 0.000 0.467 448 L N 2.012 123.038 121.223 -0.328 0.000 2.187 448 L HA -0.051 4.401 4.340 0.186 0.000 0.213 448 L C 1.787 178.427 176.870 -0.382 0.000 1.100 448 L CA 1.600 56.274 54.840 -0.277 0.000 0.765 448 L CB -0.762 41.226 42.059 -0.118 0.000 0.904 448 L HN 0.247 nan 8.230 nan 0.000 0.437 449 D N -1.325 118.872 120.400 -0.339 0.000 2.348 449 D HA -0.066 4.685 4.640 0.186 0.000 0.216 449 D C 2.193 178.326 176.300 -0.277 0.000 0.970 449 D CA 0.668 54.527 54.000 -0.234 0.000 0.889 449 D CB 0.042 40.766 40.800 -0.126 0.000 0.912 449 D HN 0.331 nan 8.370 nan 0.000 0.524 450 L N -0.489 120.419 121.223 -0.525 0.000 2.341 450 L HA 0.061 4.512 4.340 0.186 0.000 0.214 450 L C 0.261 177.022 176.870 -0.182 0.000 1.115 450 L CA 0.250 54.860 54.840 -0.383 0.000 0.820 450 L CB -0.093 41.698 42.059 -0.446 0.000 0.944 450 L HN -0.133 nan 8.230 nan 0.000 0.452 451 F N -0.458 119.463 119.950 -0.048 0.000 2.378 451 F HA 0.633 5.282 4.527 0.202 0.000 0.325 451 F C 1.227 176.979 175.800 -0.081 0.000 1.097 451 F CA -0.842 57.116 58.000 -0.070 0.000 1.079 451 F CB 0.603 39.563 39.000 -0.067 0.000 1.240 451 F HN -0.063 nan 8.300 nan 0.000 0.519 452 G N 0.724 109.588 108.800 0.106 0.000 2.905 452 G HA2 -0.165 3.906 3.960 0.186 0.000 0.196 452 G HA3 -0.165 3.906 3.960 0.186 0.000 0.196 452 G C 1.211 176.144 174.900 0.055 0.000 1.044 452 G CA -0.236 44.883 45.100 0.031 0.000 0.778 452 G HN 0.517 nan 8.290 nan 0.000 0.474 453 R N 0.688 121.231 120.500 0.071 0.000 2.027 453 R HA 0.453 4.905 4.340 0.186 0.000 0.191 453 R C 1.995 178.339 176.300 0.073 0.000 1.221 453 R CA 0.952 57.110 56.100 0.096 0.000 1.133 453 R CB -0.624 29.728 30.300 0.088 0.000 0.770 453 R HN 0.407 nan 8.270 nan 0.000 0.515 454 G N -0.010 108.814 108.800 0.040 0.000 3.019 454 G HA2 0.375 4.447 3.960 0.186 0.000 0.152 454 G HA3 0.375 4.447 3.960 0.186 0.000 0.152 454 G C -0.727 174.119 174.900 -0.089 0.000 1.320 454 G CA -0.704 44.408 45.100 0.021 0.000 1.013 454 G HN 0.063 nan 8.290 nan 0.000 0.593 455 F N -0.969 118.883 119.950 -0.164 0.000 2.370 455 F HA 0.580 5.198 4.527 0.151 0.000 0.324 455 F C 0.347 176.019 175.800 -0.212 0.000 1.116 455 F CA -0.079 57.801 58.000 -0.201 0.000 1.123 455 F CB 2.066 40.909 39.000 -0.262 0.000 1.238 455 F HN 0.024 nan 8.300 nan 0.000 0.536 456 V N 3.323 123.254 119.914 0.029 0.000 2.733 456 V HA 0.362 4.594 4.120 0.186 0.000 0.306 456 V C -1.410 174.673 176.094 -0.019 0.000 1.084 456 V CA -0.798 61.504 62.300 0.003 0.000 0.905 456 V CB 2.139 34.056 31.823 0.157 0.000 1.010 456 V HN 0.462 nan 8.190 nan 0.000 0.424 457 L N 5.896 127.070 121.223 -0.081 0.000 2.316 457 L HA 0.614 5.065 4.340 0.186 0.000 0.280 457 L C -0.835 175.978 176.870 -0.096 0.000 1.006 457 L CA 0.102 54.897 54.840 -0.076 0.000 0.836 457 L CB 1.122 43.085 42.059 -0.161 0.000 1.221 457 L HN 0.561 nan 8.230 nan 0.000 0.418 458 L N 4.195 125.359 121.223 -0.098 0.000 2.292 458 L HA 0.515 4.967 4.340 0.186 0.000 0.284 458 L C -0.116 176.529 176.870 -0.375 0.000 1.065 458 L CA -0.219 54.427 54.840 -0.323 0.000 0.806 458 L CB 1.463 43.224 42.059 -0.496 0.000 1.175 458 L HN 0.629 nan 8.230 nan 0.000 0.431 459 S N 2.883 118.327 115.700 -0.427 0.000 2.640 459 S HA 0.352 4.934 4.470 0.186 0.000 0.320 459 S C 0.343 174.628 174.600 -0.525 0.000 1.097 459 S CA -0.565 57.496 58.200 -0.230 0.000 1.092 459 S CB 0.956 64.178 63.200 0.037 0.000 0.988 459 S HN 0.373 nan 8.310 nan 0.000 0.470 460 F N 1.793 121.566 119.950 -0.294 0.000 2.335 460 F HA 0.220 4.856 4.527 0.182 0.000 0.296 460 F C 1.947 177.581 175.800 -0.276 0.000 1.091 460 F CA 0.693 58.433 58.000 -0.433 0.000 1.399 460 F CB -0.192 38.238 39.000 -0.949 0.000 1.067 460 F HN 0.678 nan 8.300 nan 0.000 0.520 461 G N -1.356 107.405 108.800 -0.065 0.000 3.110 461 G HA2 0.138 4.210 3.960 0.186 0.000 0.207 461 G HA3 0.138 4.210 3.960 0.186 0.000 0.207 461 G C -0.068 174.858 174.900 0.043 0.000 1.841 461 G CA 0.108 45.240 45.100 0.053 0.000 0.751 461 G HN -0.004 nan 8.290 nan 0.000 0.771 462 T N 0.437 115.021 114.554 0.050 0.000 2.906 462 T HA 0.306 4.767 4.350 0.186 0.000 0.320 462 T C 1.509 176.285 174.700 0.126 0.000 1.088 462 T CA 1.111 63.264 62.100 0.088 0.000 1.120 462 T CB 0.600 69.526 68.868 0.097 0.000 1.000 462 T HN 0.612 nan 8.240 nan 0.000 0.550 463 T N 0.658 115.276 114.554 0.106 0.000 3.134 463 T HA 0.230 4.692 4.350 0.186 0.000 0.260 463 T C 0.198 174.946 174.700 0.080 0.000 1.027 463 T CA -0.531 61.619 62.100 0.083 0.000 0.913 463 T CB -0.105 68.790 68.868 0.044 0.000 1.046 463 T HN 0.563 nan 8.240 nan 0.000 0.553 464 D N 1.456 121.929 120.400 0.121 0.000 2.401 464 D HA 0.434 5.185 4.640 0.186 0.000 0.254 464 D C 1.485 177.841 176.300 0.093 0.000 1.192 464 D CA 1.672 55.735 54.000 0.104 0.000 0.885 464 D CB -0.079 40.795 40.800 0.124 0.000 1.147 464 D HN 0.400 nan 8.370 nan 0.000 0.478 465 G N 2.120 110.941 108.800 0.035 0.000 2.179 465 G HA2 -0.310 3.762 3.960 0.186 0.000 0.260 465 G HA3 -0.310 3.762 3.960 0.186 0.000 0.260 465 G C 1.216 176.077 174.900 -0.065 0.000 0.977 465 G CA 0.293 45.391 45.100 -0.002 0.000 0.641 465 G HN 0.492 nan 8.290 nan 0.000 0.533 466 V N 0.208 120.074 119.914 -0.080 0.000 2.515 466 V HA -0.076 4.156 4.120 0.186 0.000 0.250 466 V C 2.447 178.487 176.094 -0.091 0.000 1.058 466 V CA 2.584 64.806 62.300 -0.130 0.000 1.064 466 V CB -0.309 31.442 31.823 -0.120 0.000 0.675 466 V HN 0.578 nan 8.190 nan 0.000 0.461 467 E N 0.295 120.460 120.200 -0.058 0.000 2.118 467 E HA -0.219 4.242 4.350 0.186 0.000 0.195 467 E C 2.345 178.918 176.600 -0.046 0.000 0.992 467 E CA 1.311 57.684 56.400 -0.046 0.000 0.804 467 E CB -0.257 29.425 29.700 -0.031 0.000 0.741 467 E HN 0.612 nan 8.360 nan 0.000 0.458 468 A N 0.443 123.234 122.820 -0.048 0.000 1.902 468 A HA -0.157 4.275 4.320 0.186 0.000 0.217 468 A C 2.408 179.961 177.584 -0.050 0.000 1.181 468 A CA 1.264 53.272 52.037 -0.049 0.000 0.623 468 A CB -0.544 18.426 19.000 -0.051 0.000 0.818 468 A HN 0.148 nan 8.150 nan 0.000 0.443 469 V N -0.395 119.483 119.914 -0.059 0.000 2.358 469 V HA -0.221 4.011 4.120 0.186 0.000 0.246 469 V C 2.708 178.841 176.094 0.066 0.000 1.047 469 V CA 2.419 64.710 62.300 -0.014 0.000 1.035 469 V CB -1.420 30.352 31.823 -0.085 0.000 0.658 469 V HN 0.587 nan 8.190 nan 0.000 0.452 470 T N 0.085 114.626 114.554 -0.022 0.000 2.635 470 T HA -0.285 4.177 4.350 0.186 0.000 0.267 470 T C 2.107 176.812 174.700 0.008 0.000 1.040 470 T CA 2.159 64.242 62.100 -0.030 0.000 1.156 470 T CB -0.319 68.513 68.868 -0.059 0.000 0.863 470 T HN 0.320 nan 8.240 nan 0.000 0.430 471 R N 1.885 122.375 120.500 -0.017 0.000 2.083 471 R HA 0.015 4.467 4.340 0.186 0.000 0.237 471 R C 2.388 178.662 176.300 -0.044 0.000 1.137 471 R CA 1.997 58.076 56.100 -0.034 0.000 0.951 471 R CB -1.210 29.064 30.300 -0.043 0.000 0.851 471 R HN 0.344 nan 8.270 nan 0.000 0.434 472 A N -0.143 122.650 122.820 -0.044 0.000 1.869 472 A HA -0.191 4.241 4.320 0.186 0.000 0.218 472 A C 2.245 179.723 177.584 -0.176 0.000 1.203 472 A CA 1.931 53.895 52.037 -0.122 0.000 0.638 472 A CB -1.099 17.805 19.000 -0.160 0.000 0.831 472 A HN 0.406 nan 8.150 nan 0.000 0.450 473 F N 0.062 119.895 119.950 -0.195 0.000 2.095 473 F HA -0.125 4.509 4.527 0.178 0.000 0.298 473 F C 2.867 178.542 175.800 -0.207 0.000 1.104 473 F CA 1.146 59.011 58.000 -0.225 0.000 1.232 473 F CB -0.746 38.100 39.000 -0.256 0.000 0.987 473 F HN 0.278 nan 8.300 nan 0.000 0.475 474 A N 0.255 123.077 122.820 0.003 0.000 1.903 474 A HA -0.310 4.122 4.320 0.186 0.000 0.219 474 A C 1.904 179.342 177.584 -0.244 0.000 1.191 474 A CA 2.484 54.461 52.037 -0.099 0.000 0.638 474 A CB -1.186 17.766 19.000 -0.079 0.000 0.823 474 A HN 0.369 nan 8.150 nan 0.000 0.451 475 D N -0.882 119.392 120.400 -0.210 0.000 2.106 475 D HA -0.139 4.612 4.640 0.186 0.000 0.191 475 D C 1.930 178.044 176.300 -0.310 0.000 0.997 475 D CA 1.543 55.393 54.000 -0.250 0.000 0.834 475 D CB -0.222 40.489 40.800 -0.148 0.000 0.956 475 D HN 0.322 nan 8.370 nan 0.000 0.448 476 R N -0.718 119.677 120.500 -0.176 0.000 2.323 476 R HA 0.111 4.563 4.340 0.186 0.000 0.198 476 R C -0.259 176.131 176.300 0.150 0.000 0.988 476 R CA 0.134 56.234 56.100 -0.001 0.000 1.041 476 R CB -0.588 29.696 30.300 -0.027 0.000 0.926 476 R HN 0.357 nan 8.270 nan 0.000 0.476 477 H N -3.043 116.038 119.070 0.019 0.000 2.839 477 H HA -0.128 4.539 4.556 0.184 0.000 0.298 477 H C -1.008 174.287 175.328 -0.055 0.000 1.224 477 H CA 0.466 56.532 56.048 0.030 0.000 1.144 477 H CB -2.047 27.774 29.762 0.099 0.000 1.372 477 H HN -0.086 nan 8.280 nan 0.000 0.408 478 V N 2.261 122.123 119.914 -0.087 0.000 2.370 478 V HA 0.277 4.509 4.120 0.186 0.000 0.279 478 V C -1.545 174.376 176.094 -0.289 0.000 1.029 478 V CA -1.606 60.443 62.300 -0.419 0.000 0.870 478 V CB 1.480 33.139 31.823 -0.273 0.000 0.984 478 V HN 0.120 nan 8.190 nan 0.000 0.451 479 P HA 0.195 nan 4.420 nan 0.000 0.267 479 P C -0.958 176.250 177.300 -0.152 0.000 1.209 479 P CA -0.029 62.953 63.100 -0.196 0.000 0.763 479 P CB 1.383 33.005 31.700 -0.131 0.000 0.816 480 L N 2.750 123.859 121.223 -0.191 0.000 2.434 480 L HA 0.560 5.012 4.340 0.186 0.000 0.260 480 L C -0.983 175.756 176.870 -0.218 0.000 0.983 480 L CA -0.515 54.124 54.840 -0.335 0.000 0.820 480 L CB 2.497 44.082 42.059 -0.790 0.000 1.361 480 L HN 0.304 nan 8.230 nan 0.000 0.410 481 E N 1.337 121.424 120.200 -0.189 0.000 2.293 481 E HA 0.626 5.087 4.350 0.186 0.000 0.270 481 E C -1.302 175.214 176.600 -0.139 0.000 0.879 481 E CA -0.777 55.549 56.400 -0.124 0.000 0.756 481 E CB 2.205 31.867 29.700 -0.063 0.000 1.208 481 E HN 0.690 nan 8.360 nan 0.000 0.428 482 T N -1.240 113.239 114.554 -0.124 0.000 2.786 482 T HA 0.569 5.031 4.350 0.186 0.000 0.283 482 T C -0.455 174.179 174.700 -0.111 0.000 0.992 482 T CA -0.691 61.331 62.100 -0.130 0.000 0.954 482 T CB 0.899 69.687 68.868 -0.134 0.000 0.934 482 T HN 0.108 nan 8.240 nan 0.000 0.440 483 V N 3.485 123.322 119.914 -0.128 0.000 2.448 483 V HA 0.502 4.734 4.120 0.186 0.000 0.295 483 V C 0.211 176.181 176.094 -0.206 0.000 1.025 483 V CA -0.767 61.448 62.300 -0.142 0.000 0.859 483 V CB 2.027 33.767 31.823 -0.138 0.000 0.988 483 V HN 1.087 nan 8.190 nan 0.000 0.431 484 T N 3.853 118.289 114.554 -0.196 0.000 2.781 484 T HA 0.245 4.706 4.350 0.186 0.000 0.305 484 T C -0.207 174.265 174.700 -0.380 0.000 1.001 484 T CA -0.113 61.819 62.100 -0.280 0.000 0.950 484 T CB 0.585 69.335 68.868 -0.196 0.000 0.955 484 T HN 0.782 nan 8.240 nan 0.000 0.471 485 C N 4.205 123.228 119.300 -0.462 0.000 2.398 485 C HA 0.403 4.975 4.460 0.186 0.000 0.364 485 C C 0.796 175.543 174.990 -0.404 0.000 1.219 485 C CA -0.455 58.353 59.018 -0.349 0.000 2.312 485 C CB -0.175 27.390 27.740 -0.293 0.000 2.428 485 C HN 0.926 nan 8.230 nan 0.000 0.564 486 H N 2.906 122.006 119.070 0.049 0.000 2.575 486 H HA 0.320 4.989 4.556 0.188 0.000 0.256 486 H C 0.225 175.613 175.328 0.100 0.000 1.162 486 H CA 0.228 56.324 56.048 0.079 0.000 0.969 486 H CB 0.215 30.003 29.762 0.045 0.000 1.796 486 H HN 0.725 nan 8.280 nan 0.000 0.607 487 A N 2.807 125.749 122.820 0.203 0.000 2.280 487 A HA 0.334 4.766 4.320 0.186 0.000 0.320 487 A C -1.296 176.368 177.584 0.134 0.000 1.366 487 A CA -1.331 50.795 52.037 0.149 0.000 0.938 487 A CB 0.972 20.039 19.000 0.111 0.000 1.157 487 A HN 0.003 nan 8.150 nan 0.000 0.536 488 P HA -0.219 nan 4.420 nan 0.000 0.216 488 P C 0.622 177.920 177.300 -0.004 0.000 1.150 488 P CA 1.483 64.620 63.100 0.062 0.000 0.843 488 P CB 0.398 32.115 31.700 0.028 0.000 0.787 489 E N 0.365 120.563 120.200 -0.002 0.000 2.051 489 E HA -0.120 4.341 4.350 0.186 0.000 0.192 489 E C 2.270 178.837 176.600 -0.054 0.000 0.991 489 E CA 1.064 57.448 56.400 -0.028 0.000 0.799 489 E CB -1.207 28.489 29.700 -0.006 0.000 0.748 489 E HN 0.317 nan 8.360 nan 0.000 0.449 490 I N 0.680 121.223 120.570 -0.045 0.000 2.394 490 I HA -0.230 4.051 4.170 0.186 0.000 0.251 490 I C 2.463 178.340 176.117 -0.401 0.000 1.136 490 I CA 1.015 62.260 61.300 -0.092 0.000 1.425 490 I CB -0.368 37.631 38.000 -0.002 0.000 1.079 490 I HN 0.207 nan 8.210 nan 0.000 0.425 491 H N 1.884 120.579 119.070 -0.626 0.000 2.352 491 H HA -0.135 4.532 4.556 0.186 0.000 0.299 491 H C 2.151 177.133 175.328 -0.576 0.000 1.097 491 H CA 1.818 57.257 56.048 -1.014 0.000 1.311 491 H CB 0.008 29.537 29.762 -0.389 0.000 1.377 491 H HN 0.311 nan 8.280 nan 0.000 0.504 492 A N 0.860 123.579 122.820 -0.168 0.000 1.873 492 A HA -0.103 4.328 4.320 0.186 0.000 0.215 492 A C 2.625 180.137 177.584 -0.120 0.000 1.186 492 A CA 1.389 53.335 52.037 -0.152 0.000 0.616 492 A CB -0.984 17.935 19.000 -0.135 0.000 0.823 492 A HN 0.419 nan 8.150 nan 0.000 0.442 493 L N -1.607 119.560 121.223 -0.093 0.000 2.012 493 L HA -0.176 4.276 4.340 0.186 0.000 0.210 493 L C 2.191 179.013 176.870 -0.079 0.000 1.073 493 L CA 2.012 56.814 54.840 -0.064 0.000 0.748 493 L CB -0.715 41.359 42.059 0.025 0.000 0.891 493 L HN 0.464 nan 8.230 nan 0.000 0.431 494 Y N -0.139 120.003 120.300 -0.262 0.000 2.519 494 Y HA -0.048 4.612 4.550 0.184 0.000 0.287 494 Y C 1.841 177.658 175.900 -0.139 0.000 1.128 494 Y CA 0.567 58.562 58.100 -0.176 0.000 1.282 494 Y CB -0.029 38.358 38.460 -0.122 0.000 1.027 494 Y HN 0.363 nan 8.280 nan 0.000 0.551 495 E N -1.595 118.588 120.200 -0.027 0.000 4.153 495 E HA -0.294 4.167 4.350 0.186 0.000 0.193 495 E C 0.409 177.038 176.600 0.049 0.000 1.249 495 E CA 1.491 57.876 56.400 -0.024 0.000 2.292 495 E CB -0.979 28.675 29.700 -0.077 0.000 1.844 495 E HN 0.101 nan 8.360 nan 0.000 0.356 496 R N 0.384 120.901 120.500 0.028 0.000 2.801 496 R HA 0.381 4.833 4.340 0.186 0.000 0.273 496 R C 1.140 177.503 176.300 0.106 0.000 1.080 496 R CA 0.841 56.952 56.100 0.018 0.000 1.197 496 R CB -0.017 30.226 30.300 -0.095 0.000 1.109 496 R HN 0.483 nan 8.270 nan 0.000 0.535 497 A N 1.009 123.830 122.820 0.003 0.000 2.081 497 A HA 0.001 4.433 4.320 0.186 0.000 0.214 497 A C 0.085 177.582 177.584 -0.145 0.000 1.158 497 A CA 0.890 52.854 52.037 -0.121 0.000 0.724 497 A CB -0.017 18.817 19.000 -0.276 0.000 0.826 497 A HN 0.499 nan 8.150 nan 0.000 0.463 498 H N -0.928 118.228 119.070 0.144 0.000 2.658 498 H HA 0.562 5.228 4.556 0.184 0.000 0.337 498 H C -1.487 174.007 175.328 0.275 0.000 1.009 498 H CA -0.824 55.361 56.048 0.228 0.000 1.231 498 H CB 1.524 31.554 29.762 0.447 0.000 1.508 498 H HN -0.042 nan 8.280 nan 0.000 0.517 499 V N 4.651 124.781 119.914 0.360 0.000 2.483 499 V HA 0.151 4.383 4.120 0.186 0.000 0.297 499 V C -0.341 175.928 176.094 0.292 0.000 1.027 499 V CA -0.807 61.690 62.300 0.328 0.000 0.855 499 V CB 2.376 34.443 31.823 0.406 0.000 0.995 499 V HN 0.418 nan 8.190 nan 0.000 0.424 500 L N 7.213 128.662 121.223 0.376 0.000 2.264 500 L HA 0.606 5.057 4.340 0.186 0.000 0.287 500 L C -0.230 176.754 176.870 0.191 0.000 1.039 500 L CA 0.231 55.241 54.840 0.284 0.000 0.829 500 L CB 1.202 43.492 42.059 0.386 0.000 1.211 500 L HN 0.481 nan 8.230 nan 0.000 0.427 501 V N 5.391 125.316 119.914 0.018 0.000 2.644 501 V HA 0.534 4.766 4.120 0.186 0.000 0.295 501 V C 0.684 176.664 176.094 -0.190 0.000 1.053 501 V CA -0.794 61.378 62.300 -0.213 0.000 0.987 501 V CB 1.265 32.624 31.823 -0.773 0.000 1.006 501 V HN 0.695 nan 8.190 nan 0.000 0.472 502 R N 3.381 123.675 120.500 -0.342 0.000 2.549 502 R HA 0.320 4.772 4.340 0.186 0.000 0.259 502 R C -1.860 173.913 176.300 -0.877 0.000 1.095 502 R CA -1.677 53.943 56.100 -0.799 0.000 1.148 502 R CB 0.024 29.910 30.300 -0.690 0.000 1.181 502 R HN 0.377 nan 8.270 nan 0.000 0.571 503 P HA -0.150 nan 4.420 nan 0.000 0.222 503 P C 0.298 177.175 177.300 -0.705 0.000 1.147 503 P CA 1.227 63.847 63.100 -0.800 0.000 0.790 503 P CB 0.081 31.362 31.700 -0.698 0.000 0.780 504 D N -1.819 117.987 120.400 -0.990 0.000 2.340 504 D HA 0.046 4.798 4.640 0.186 0.000 0.220 504 D C 1.393 177.544 176.300 -0.248 0.000 1.039 504 D CA 0.760 54.434 54.000 -0.544 0.000 0.866 504 D CB -0.641 39.880 40.800 -0.465 0.000 0.913 504 D HN 0.201 nan 8.370 nan 0.000 0.523 505 G N -0.015 108.635 108.800 -0.250 0.000 2.175 505 G HA2 -0.225 3.847 3.960 0.186 0.000 0.244 505 G HA3 -0.225 3.847 3.960 0.186 0.000 0.244 505 G C -0.034 174.854 174.900 -0.020 0.000 0.982 505 G CA -0.018 45.019 45.100 -0.105 0.000 0.641 505 G HN 0.588 nan 8.290 nan 0.000 0.527 506 H N -0.378 118.572 119.070 -0.201 0.000 2.479 506 H HA 0.482 5.144 4.556 0.175 0.000 0.335 506 H C 0.276 175.535 175.328 -0.115 0.000 1.142 506 H CA -0.918 55.063 56.048 -0.111 0.000 1.234 506 H CB 2.051 31.829 29.762 0.027 0.000 1.503 506 H HN 0.073 nan 8.280 nan 0.000 0.510 507 V N 1.967 121.887 119.914 0.010 0.000 2.655 507 V HA 0.004 4.236 4.120 0.186 0.000 0.300 507 V C 0.920 177.104 176.094 0.150 0.000 1.044 507 V CA 0.606 62.928 62.300 0.037 0.000 1.095 507 V CB 1.008 32.828 31.823 -0.006 0.000 0.952 507 V HN 0.974 nan 8.190 nan 0.000 0.485 508 A N 3.999 126.956 122.820 0.229 0.000 2.127 508 A HA 0.372 4.804 4.320 0.186 0.000 0.204 508 A C 0.131 177.942 177.584 0.378 0.000 1.243 508 A CA 0.023 52.252 52.037 0.319 0.000 0.887 508 A CB 0.292 19.545 19.000 0.422 0.000 0.933 508 A HN 0.914 nan 8.150 nan 0.000 0.479 509 W N 0.217 121.598 121.300 0.134 0.000 3.419 509 W HA 0.552 5.292 4.660 0.134 0.000 0.298 509 W C -1.552 175.034 176.519 0.112 0.000 1.260 509 W CA -0.584 56.831 57.345 0.116 0.000 1.199 509 W CB 0.807 30.340 29.460 0.121 0.000 1.349 509 W HN 0.287 nan 8.180 nan 0.000 0.557 510 R N 3.880 123.729 120.500 -1.085 0.000 2.561 510 R HA 0.875 5.327 4.340 0.186 0.000 0.266 510 R C -1.045 174.332 176.300 -1.538 0.000 1.091 510 R CA -0.807 54.650 56.100 -1.072 0.000 0.927 510 R CB 1.622 31.713 30.300 -0.349 0.000 1.240 510 R HN 1.069 nan 8.270 nan 0.000 0.449 511 G N 0.916 108.982 108.800 -1.224 0.000 2.616 511 G HA2 0.195 4.267 3.960 0.186 0.000 0.294 511 G HA3 0.195 4.267 3.960 0.186 0.000 0.294 511 G C -0.798 174.039 174.900 -0.106 0.000 1.489 511 G CA -0.682 44.093 45.100 -0.540 0.000 0.836 511 G HN 0.531 nan 8.290 nan 0.000 0.527 512 D N -0.284 120.020 120.400 -0.160 0.000 2.310 512 D HA 0.004 4.756 4.640 0.186 0.000 0.212 512 D C 0.000 176.031 176.300 -0.449 0.000 0.965 512 D CA 1.169 54.966 54.000 -0.338 0.000 0.879 512 D CB 0.177 40.694 40.800 -0.472 0.000 0.921 512 D HN 0.363 nan 8.370 nan 0.000 0.510 513 H N -0.355 118.874 119.070 0.264 0.000 2.759 513 H HA 0.310 4.976 4.556 0.184 0.000 0.354 513 H C 0.195 175.817 175.328 0.489 0.000 1.074 513 H CA -0.634 55.607 56.048 0.321 0.000 1.226 513 H CB 1.393 31.276 29.762 0.200 0.000 1.648 513 H HN -0.145 nan 8.280 nan 0.000 0.529 514 L N 4.148 125.673 121.223 0.503 0.000 2.467 514 L HA 0.165 4.616 4.340 0.186 0.000 0.270 514 L C -1.384 175.552 176.870 0.110 0.000 1.205 514 L CA -1.459 53.491 54.840 0.183 0.000 0.828 514 L CB 0.027 42.071 42.059 -0.025 0.000 1.101 514 L HN 0.406 nan 8.230 nan 0.000 0.479 515 P HA 0.079 nan 4.420 nan 0.000 0.272 515 P C -0.199 177.079 177.300 -0.037 0.000 1.240 515 P CA -0.368 62.719 63.100 -0.020 0.000 0.791 515 P CB 1.082 32.704 31.700 -0.130 0.000 0.978 516 A N 0.811 123.626 122.820 -0.008 0.000 1.878 516 A HA -0.025 4.406 4.320 0.186 0.000 0.213 516 A C 1.311 178.869 177.584 -0.044 0.000 1.192 516 A CA 0.881 52.907 52.037 -0.018 0.000 0.619 516 A CB -0.587 18.413 19.000 -0.000 0.000 0.837 516 A HN 0.539 nan 8.150 nan 0.000 0.446 517 E N 1.144 121.316 120.200 -0.046 0.000 1.856 517 E HA 0.256 4.718 4.350 0.186 0.000 0.263 517 E C 0.695 177.232 176.600 -0.105 0.000 1.137 517 E CA -0.127 56.236 56.400 -0.061 0.000 1.007 517 E CB 0.195 29.870 29.700 -0.041 0.000 1.117 517 E HN 0.534 nan 8.360 nan 0.000 0.438 518 L N 0.889 122.037 121.223 -0.125 0.000 2.027 518 L HA -0.129 4.322 4.340 0.186 0.000 0.206 518 L C 2.271 179.015 176.870 -0.210 0.000 1.074 518 L CA 1.339 56.069 54.840 -0.182 0.000 0.745 518 L CB -0.537 41.423 42.059 -0.165 0.000 0.898 518 L HN 0.480 nan 8.230 nan 0.000 0.433 519 G N 0.070 108.770 108.800 -0.167 0.000 2.513 519 G HA2 -0.268 3.804 3.960 0.186 0.000 0.219 519 G HA3 -0.268 3.804 3.960 0.186 0.000 0.219 519 G C 1.556 176.361 174.900 -0.158 0.000 1.160 519 G CA 0.964 45.963 45.100 -0.169 0.000 0.767 519 G HN 0.497 nan 8.290 nan 0.000 0.571 520 G N 0.998 109.729 108.800 -0.115 0.000 2.514 520 G HA2 -0.214 3.858 3.960 0.186 0.000 0.217 520 G HA3 -0.214 3.858 3.960 0.186 0.000 0.217 520 G C 1.722 176.556 174.900 -0.109 0.000 1.198 520 G CA 1.306 46.356 45.100 -0.084 0.000 0.780 520 G HN 0.489 nan 8.290 nan 0.000 0.565 521 L N 0.927 122.062 121.223 -0.147 0.000 1.965 521 L HA -0.201 4.250 4.340 0.186 0.000 0.226 521 L C 2.961 179.701 176.870 -0.216 0.000 1.083 521 L CA 2.322 57.056 54.840 -0.177 0.000 0.790 521 L CB -1.097 40.795 42.059 -0.279 0.000 0.898 521 L HN 0.124 nan 8.230 nan 0.000 0.439 522 V N 0.202 119.882 119.914 -0.390 0.000 2.231 522 V HA -0.396 3.836 4.120 0.186 0.000 0.250 522 V C 2.265 178.203 176.094 -0.259 0.000 1.058 522 V CA 2.341 64.306 62.300 -0.558 0.000 1.022 522 V CB -1.060 30.283 31.823 -0.799 0.000 0.640 522 V HN 0.546 nan 8.190 nan 0.000 0.445 523 D N -0.876 119.424 120.400 -0.167 0.000 2.311 523 D HA -0.156 4.596 4.640 0.186 0.000 0.212 523 D C 2.069 178.370 176.300 0.003 0.000 0.972 523 D CA 1.137 55.104 54.000 -0.055 0.000 0.887 523 D CB -0.145 40.628 40.800 -0.045 0.000 0.915 523 D HN 0.527 nan 8.370 nan 0.000 0.497 524 K N 0.443 120.841 120.400 -0.003 0.000 2.044 524 K HA -0.065 4.367 4.320 0.186 0.000 0.204 524 K C 1.939 178.614 176.600 0.125 0.000 1.045 524 K CA 0.938 57.259 56.287 0.057 0.000 0.951 524 K CB 0.141 32.675 32.500 0.056 0.000 0.738 524 K HN 0.114 nan 8.250 nan 0.000 0.443 525 V N 0.793 120.792 119.914 0.143 0.000 2.759 525 V HA -0.123 4.109 4.120 0.186 0.000 0.256 525 V C 1.831 178.206 176.094 0.469 0.000 1.080 525 V CA 1.632 64.117 62.300 0.308 0.000 1.101 525 V CB -0.997 31.020 31.823 0.324 0.000 0.698 525 V HN 0.382 nan 8.190 nan 0.000 0.477 526 R N 0.999 121.713 120.500 0.355 0.000 2.426 526 R HA 0.454 4.906 4.340 0.186 0.000 0.263 526 R C 1.339 177.787 176.300 0.246 0.000 0.961 526 R CA 0.453 56.841 56.100 0.480 0.000 1.086 526 R CB -0.244 30.381 30.300 0.541 0.000 1.186 526 R HN 0.668 nan 8.270 nan 0.000 0.537 527 G N 0.265 109.173 108.800 0.181 0.000 2.198 527 G HA2 -0.373 3.699 3.960 0.186 0.000 0.260 527 G HA3 -0.373 3.699 3.960 0.186 0.000 0.260 527 G C 0.739 175.679 174.900 0.066 0.000 1.025 527 G CA 0.341 45.498 45.100 0.095 0.000 0.769 527 G HN 0.566 nan 8.290 nan 0.000 0.507 528 A N -0.720 122.145 122.820 0.075 0.000 1.956 528 A HA 0.763 5.195 4.320 0.186 0.000 0.212 528 A C 2.013 179.619 177.584 0.037 0.000 1.188 528 A CA 1.666 53.734 52.037 0.052 0.000 0.675 528 A CB -0.298 18.734 19.000 0.053 0.000 0.845 528 A HN 2.067 nan 8.150 nan 0.000 0.455 529 A N 0.000 122.842 122.820 0.037 0.000 2.254 529 A HA 0.000 4.432 4.320 0.186 0.000 0.244 529 A CA 0.000 52.055 52.037 0.029 0.000 0.836 529 A CB 0.000 19.019 19.000 0.031 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486