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 3euk_1_H DATA FIRST_RESID 32 DATA SEQUENCE MIARGKFRSL TLINWNGFFA RTFDFDELVT TLSGGNGAGK STTMAGFVTA DATA SEQUENCE LIPDLTLLNF RNTTEAGSTS SSRDKGLYGK LKAGVCYAVL ETVNSRAQRI DATA SEQUENCE ITGVRLQQIA GRDKKVDIRP FSLQNVPMTD SVISLFTEQV ANKARVLSLN DATA SEQUENCE DLKEKFEETA VTFKPYHSIT DYHSFMFDLG ILPKRLRSSS DRNKFYKLIE DATA SEQUENCE ASLYGGISSV ITKSLRDYLL PENSGVRQAF QDMEAXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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FLDQAARLDA MSINTLFELC ERLDMQLLIA APENISPERG TTYKLVRKIL DATA SEQUENCE ANQEYVHVVG LKGFG 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 32 M HA 0.000 nan 4.480 nan 0.000 0.227 32 M C 0.000 176.298 176.300 -0.004 0.000 1.140 32 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 32 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 33 I N 0.100 120.668 120.570 -0.003 0.000 2.842 33 I HA 0.692 4.862 4.170 0.000 0.000 0.297 33 I C -0.209 175.906 176.117 -0.004 0.000 1.380 33 I CA -0.994 60.303 61.300 -0.006 0.000 1.018 33 I CB 2.481 40.475 38.000 -0.010 0.000 1.311 33 I HN 0.246 nan 8.210 nan 0.000 0.439 34 A N 4.428 127.246 122.820 -0.005 0.000 2.252 34 A HA 0.563 4.883 4.320 0.000 0.000 0.309 34 A C -0.196 177.387 177.584 -0.002 0.000 1.285 34 A CA -0.412 51.625 52.037 -0.000 0.000 0.900 34 A CB 0.488 19.488 19.000 0.001 0.000 1.157 34 A HN 0.765 nan 8.150 nan 0.000 0.536 35 R N 3.276 123.778 120.500 0.003 0.000 2.216 35 R HA 0.404 4.744 4.340 0.000 0.000 0.332 35 R C 0.739 177.050 176.300 0.017 0.000 1.056 35 R CA 0.152 56.254 56.100 0.003 0.000 0.901 35 R CB 0.513 30.815 30.300 0.003 0.000 1.039 35 R HN 0.841 nan 8.270 nan 0.000 0.456 36 G N 2.996 111.806 108.800 0.017 0.000 2.794 36 G HA2 0.041 4.001 3.960 0.000 0.000 0.249 36 G HA3 0.041 4.001 3.960 0.000 0.000 0.249 36 G C -0.600 174.350 174.900 0.084 0.000 1.236 36 G CA -0.059 45.068 45.100 0.044 0.000 0.880 36 G HN 0.511 nan 8.290 nan 0.000 0.586 37 K N -1.306 119.177 120.400 0.138 0.000 2.579 37 K HA 0.283 4.603 4.320 0.000 0.000 0.284 37 K C -1.854 174.950 176.600 0.341 0.000 0.990 37 K CA -0.727 55.682 56.287 0.203 0.000 0.880 37 K CB 1.792 34.376 32.500 0.140 0.000 1.488 37 K HN 0.274 nan 8.250 nan 0.000 0.425 38 F N 2.821 122.802 119.950 0.052 0.000 2.293 38 F HA 0.331 4.858 4.527 0.000 0.000 0.370 38 F C 1.618 177.557 175.800 0.232 0.000 1.090 38 F CA -0.719 57.332 58.000 0.086 0.000 1.133 38 F CB 0.631 39.626 39.000 -0.008 0.000 1.360 38 F HN 0.283 nan 8.300 nan 0.000 0.489 39 R N 1.267 121.903 120.500 0.227 0.000 2.109 39 R HA -0.084 4.256 4.340 0.000 0.000 0.227 39 R C 0.425 176.864 176.300 0.231 0.000 1.132 39 R CA 1.439 57.662 56.100 0.206 0.000 0.907 39 R CB -0.562 29.786 30.300 0.079 0.000 0.825 39 R HN 0.593 nan 8.270 nan 0.000 0.432 40 S N -1.048 114.700 115.700 0.081 0.000 2.537 40 S HA 0.387 4.857 4.470 0.000 0.000 0.271 40 S C -1.165 173.310 174.600 -0.207 0.000 1.148 40 S CA -1.110 56.930 58.200 -0.267 0.000 0.868 40 S CB 1.567 64.640 63.200 -0.212 0.000 1.115 40 S HN 0.105 nan 8.310 nan 0.000 0.461 41 L N 2.115 123.087 121.223 -0.418 0.000 2.275 41 L HA 0.731 5.071 4.340 0.000 0.000 0.288 41 L C -0.527 176.244 176.870 -0.165 0.000 1.046 41 L CA 0.467 55.174 54.840 -0.221 0.000 0.805 41 L CB 1.206 43.150 42.059 -0.192 0.000 1.193 41 L HN 0.889 nan 8.230 nan 0.000 0.426 42 T N 6.783 121.289 114.554 -0.080 0.000 2.772 42 T HA 0.515 4.865 4.350 0.000 0.000 0.288 42 T C -0.234 174.458 174.700 -0.014 0.000 0.994 42 T CA -0.297 61.801 62.100 -0.002 0.000 0.951 42 T CB 0.532 69.437 68.868 0.062 0.000 0.933 42 T HN 0.439 nan 8.240 nan 0.000 0.447 43 L N 4.119 125.320 121.223 -0.037 0.000 2.295 43 L HA 0.581 4.921 4.340 0.000 0.000 0.285 43 L C -0.686 176.321 176.870 0.229 0.000 1.035 43 L CA -1.016 53.788 54.840 -0.059 0.000 0.806 43 L CB 1.159 42.900 42.059 -0.529 0.000 1.214 43 L HN 0.481 nan 8.230 nan 0.000 0.426 44 I N 3.306 124.123 120.570 0.412 0.000 2.382 44 I HA 0.260 4.430 4.170 0.000 0.000 0.285 44 I C -0.223 176.147 176.117 0.422 0.000 1.007 44 I CA -0.321 61.215 61.300 0.393 0.000 1.142 44 I CB 1.006 39.201 38.000 0.324 0.000 1.289 44 I HN 0.566 nan 8.210 nan 0.000 0.453 45 N N 4.173 123.074 118.700 0.334 0.000 2.408 45 N HA -0.205 4.535 4.740 0.000 0.000 0.293 45 N C -1.604 174.039 175.510 0.222 0.000 1.433 45 N CA 0.880 54.015 53.050 0.141 0.000 0.637 45 N CB -0.171 38.249 38.487 -0.112 0.000 0.941 45 N HN 0.521 nan 8.380 nan 0.000 0.499 46 W N 1.167 122.528 121.300 0.102 0.000 3.307 46 W HA 0.435 5.095 4.660 -0.000 0.000 0.376 46 W C 0.283 176.892 176.519 0.150 0.000 1.113 46 W CA -0.635 56.775 57.345 0.108 0.000 1.087 46 W CB 0.198 29.746 29.460 0.146 0.000 1.511 46 W HN 0.301 nan 8.180 nan 0.000 0.604 47 N N 0.476 119.443 118.700 0.445 0.000 2.399 47 N HA 0.391 5.131 4.740 0.000 0.000 0.259 47 N C 0.716 176.387 175.510 0.268 0.000 1.160 47 N CA 1.884 55.107 53.050 0.287 0.000 0.946 47 N CB 0.287 38.916 38.487 0.236 0.000 1.156 47 N HN 0.686 nan 8.380 nan 0.000 0.489 48 G N 2.533 111.426 108.800 0.156 0.000 2.299 48 G HA2 -0.280 3.680 3.960 0.000 0.000 0.237 48 G HA3 -0.280 3.680 3.960 0.000 0.000 0.237 48 G C 0.039 174.853 174.900 -0.144 0.000 1.027 48 G CA -0.242 44.837 45.100 -0.035 0.000 0.619 48 G HN 0.476 nan 8.290 nan 0.000 0.513 49 F N 1.521 121.623 119.950 0.253 0.000 2.351 49 F HA 0.620 5.147 4.527 -0.000 0.000 0.362 49 F C 1.141 177.156 175.800 0.358 0.000 1.131 49 F CA -1.076 57.089 58.000 0.274 0.000 1.187 49 F CB 0.517 39.646 39.000 0.215 0.000 1.434 49 F HN 0.076 nan 8.300 nan 0.000 0.553 50 F N 2.576 122.710 119.950 0.306 0.000 2.084 50 F HA 0.276 4.803 4.527 -0.000 0.000 0.296 50 F C 0.909 176.876 175.800 0.278 0.000 1.111 50 F CA 0.832 58.991 58.000 0.266 0.000 1.224 50 F CB 0.011 39.141 39.000 0.218 0.000 0.991 50 F HN 0.260 nan 8.300 nan 0.000 0.471 51 A N 0.156 123.396 122.820 0.700 0.000 2.485 51 A HA 0.712 5.032 4.320 0.000 0.000 0.285 51 A C -1.041 176.747 177.584 0.340 0.000 1.045 51 A CA -0.537 51.796 52.037 0.493 0.000 0.792 51 A CB 1.067 20.354 19.000 0.478 0.000 1.307 51 A HN 0.318 nan 8.150 nan 0.000 0.406 52 R N 0.457 121.140 120.500 0.305 0.000 2.716 52 R HA 0.839 5.179 4.340 0.000 0.000 0.271 52 R C -1.519 174.895 176.300 0.191 0.000 1.028 52 R CA 0.031 56.272 56.100 0.235 0.000 0.883 52 R CB 1.571 32.096 30.300 0.374 0.000 1.250 52 R HN 0.678 nan 8.270 nan 0.000 0.465 53 T N 2.011 116.615 114.554 0.083 0.000 2.933 53 T HA 0.626 4.976 4.350 0.000 0.000 0.305 53 T C -1.527 173.153 174.700 -0.033 0.000 1.092 53 T CA -0.329 61.830 62.100 0.099 0.000 1.008 53 T CB 0.735 69.631 68.868 0.048 0.000 1.102 53 T HN 0.259 nan 8.240 nan 0.000 0.469 54 F N 1.760 121.490 119.950 -0.367 0.000 2.460 54 F HA 0.395 4.922 4.527 -0.000 0.000 0.341 54 F C 0.002 175.418 175.800 -0.640 0.000 1.130 54 F CA -1.431 56.180 58.000 -0.648 0.000 0.962 54 F CB 1.134 39.528 39.000 -1.010 0.000 1.171 54 F HN 0.353 nan 8.300 nan 0.000 0.436 55 D N 3.825 124.189 120.400 -0.061 0.000 2.336 55 D HA 0.208 4.848 4.640 0.000 0.000 0.249 55 D C -0.115 176.184 176.300 -0.002 0.000 1.213 55 D CA 0.076 54.041 54.000 -0.059 0.000 0.870 55 D CB 0.315 41.169 40.800 0.090 0.000 1.076 55 D HN 0.028 nan 8.370 nan 0.000 0.483 56 F N 0.988 121.028 119.950 0.151 0.000 2.444 56 F HA 0.148 4.675 4.527 -0.000 0.000 0.331 56 F C 1.414 177.300 175.800 0.143 0.000 1.167 56 F CA -0.541 57.549 58.000 0.150 0.000 1.262 56 F CB 0.391 39.475 39.000 0.140 0.000 1.196 56 F HN 0.218 nan 8.300 nan 0.000 0.583 57 D N 0.058 120.672 120.400 0.356 0.000 2.423 57 D HA 0.149 4.789 4.640 0.000 0.000 0.255 57 D C 0.927 177.331 176.300 0.173 0.000 1.174 57 D CA -0.202 53.932 54.000 0.223 0.000 1.008 57 D CB 0.985 41.896 40.800 0.184 0.000 1.101 57 D HN 0.539 nan 8.370 nan 0.000 0.516 58 E N -0.225 120.050 120.200 0.124 0.000 2.028 58 E HA 0.040 4.390 4.350 0.000 0.000 0.190 58 E C 0.773 177.408 176.600 0.059 0.000 0.984 58 E CA 1.169 57.623 56.400 0.089 0.000 0.800 58 E CB 0.056 29.801 29.700 0.075 0.000 0.758 58 E HN 0.408 nan 8.360 nan 0.000 0.448 59 L N -0.953 120.303 121.223 0.056 0.000 2.630 59 L HA 0.222 4.562 4.340 0.000 0.000 0.170 59 L C 0.136 176.992 176.870 -0.024 0.000 1.724 59 L CA -0.702 54.142 54.840 0.006 0.000 3.098 59 L CB -0.207 41.868 42.059 0.026 0.000 2.970 59 L HN -0.185 nan 8.230 nan 0.000 0.834 60 V N -0.001 119.861 119.914 -0.087 0.000 2.740 60 V HA 0.109 4.229 4.120 0.000 0.000 0.303 60 V C -0.291 175.838 176.094 0.058 0.000 1.054 60 V CA 0.234 62.446 62.300 -0.147 0.000 1.106 60 V CB 0.744 32.282 31.823 -0.476 0.000 0.957 60 V HN 0.585 nan 8.190 nan 0.000 0.486 61 T N 3.330 117.946 114.554 0.102 0.000 3.038 61 T HA 0.299 4.649 4.350 0.000 0.000 0.344 61 T C 0.023 174.859 174.700 0.227 0.000 1.054 61 T CA -0.463 61.779 62.100 0.236 0.000 1.092 61 T CB 0.817 69.912 68.868 0.378 0.000 1.031 61 T HN 0.772 nan 8.240 nan 0.000 0.482 62 T N 3.031 117.719 114.554 0.224 0.000 2.816 62 T HA 0.587 4.937 4.350 0.000 0.000 0.282 62 T C 0.126 174.967 174.700 0.235 0.000 0.993 62 T CA -0.759 61.464 62.100 0.205 0.000 0.994 62 T CB 0.680 69.665 68.868 0.197 0.000 1.025 62 T HN 0.360 nan 8.240 nan 0.000 0.529 63 L N 1.789 123.127 121.223 0.192 0.000 2.353 63 L HA 0.443 4.783 4.340 0.000 0.000 0.270 63 L C 0.143 177.114 176.870 0.168 0.000 1.003 63 L CA -0.583 54.377 54.840 0.200 0.000 0.862 63 L CB 1.510 43.656 42.059 0.145 0.000 1.221 63 L HN 0.568 nan 8.230 nan 0.000 0.430 64 S N 1.651 117.456 115.700 0.176 0.000 2.541 64 S HA 0.940 5.410 4.470 0.000 0.000 0.283 64 S C 0.001 174.679 174.600 0.130 0.000 1.196 64 S CA 0.011 58.289 58.200 0.130 0.000 1.062 64 S CB 1.607 64.868 63.200 0.103 0.000 1.009 64 S HN 0.837 nan 8.310 nan 0.000 0.502 65 G N 1.649 110.511 108.800 0.104 0.000 2.328 65 G HA2 0.447 4.407 3.960 0.000 0.000 0.299 65 G HA3 0.447 4.407 3.960 0.000 0.000 0.299 65 G C -0.117 174.832 174.900 0.082 0.000 1.435 65 G CA -0.262 44.898 45.100 0.100 0.000 0.865 65 G HN 0.996 nan 8.290 nan 0.000 0.601 66 G N -0.942 107.902 108.800 0.074 0.000 2.661 66 G HA2 0.330 4.290 3.960 0.000 0.000 0.272 66 G HA3 0.330 4.290 3.960 0.000 0.000 0.272 66 G C 0.196 175.133 174.900 0.062 0.000 1.296 66 G CA -0.296 44.841 45.100 0.061 0.000 0.998 66 G HN 0.740 nan 8.290 nan 0.000 0.553 67 N N 0.218 118.949 118.700 0.052 0.000 2.430 67 N HA 0.362 5.102 4.740 0.000 0.000 0.265 67 N C 1.077 176.620 175.510 0.055 0.000 1.100 67 N CA 0.609 53.688 53.050 0.049 0.000 0.961 67 N CB 0.709 39.218 38.487 0.038 0.000 1.075 67 N HN 0.911 nan 8.380 nan 0.000 0.478 68 G N 1.816 110.654 108.800 0.063 0.000 2.155 68 G HA2 -0.375 3.585 3.960 0.000 0.000 0.257 68 G HA3 -0.375 3.585 3.960 0.000 0.000 0.257 68 G C 0.970 175.923 174.900 0.088 0.000 0.983 68 G CA 0.409 45.553 45.100 0.073 0.000 0.676 68 G HN 0.707 nan 8.290 nan 0.000 0.528 69 A N -0.280 122.596 122.820 0.092 0.000 2.070 69 A HA 0.477 4.797 4.320 0.000 0.000 0.220 69 A C 2.183 179.854 177.584 0.145 0.000 1.159 69 A CA 2.073 54.170 52.037 0.099 0.000 0.656 69 A CB -0.264 18.794 19.000 0.097 0.000 0.800 69 A HN 2.548 nan 8.150 nan 0.000 0.453 70 G N -1.231 107.681 108.800 0.186 0.000 2.720 70 G HA2 -0.036 3.924 3.960 0.000 0.000 0.207 70 G HA3 -0.036 3.924 3.960 0.000 0.000 0.207 70 G C 0.124 175.189 174.900 0.275 0.000 1.068 70 G CA 0.216 45.495 45.100 0.299 0.000 1.077 70 G HN 0.372 nan 8.290 nan 0.000 0.597 71 K N -0.232 120.253 120.400 0.142 0.000 2.363 71 K HA 0.208 4.529 4.320 0.000 0.000 0.215 71 K C 2.460 179.051 176.600 -0.014 0.000 1.179 71 K CA 0.629 56.954 56.287 0.062 0.000 0.856 71 K CB -0.137 32.413 32.500 0.084 0.000 1.371 71 K HN 0.165 nan 8.250 nan 0.000 0.455 72 S N 1.500 117.217 115.700 0.029 0.000 2.420 72 S HA -0.178 4.292 4.470 0.000 0.000 0.237 72 S C 2.004 176.614 174.600 0.017 0.000 1.023 72 S CA 2.130 60.346 58.200 0.027 0.000 0.991 72 S CB -0.591 62.653 63.200 0.073 0.000 0.792 72 S HN 0.533 nan 8.310 nan 0.000 0.488 73 T N -0.021 114.536 114.554 0.006 0.000 2.737 73 T HA -0.105 4.245 4.350 0.000 0.000 0.265 73 T C 1.911 176.455 174.700 -0.260 0.000 1.038 73 T CA 1.723 63.806 62.100 -0.028 0.000 1.144 73 T CB -1.197 67.710 68.868 0.066 0.000 0.866 73 T HN 0.300 nan 8.240 nan 0.000 0.434 74 T N 2.325 116.632 114.554 -0.412 0.000 2.665 74 T HA -0.073 4.277 4.350 0.000 0.000 0.268 74 T C 2.070 176.524 174.700 -0.411 0.000 1.035 74 T CA 1.782 63.471 62.100 -0.684 0.000 1.151 74 T CB -0.490 67.836 68.868 -0.903 0.000 0.862 74 T HN 0.314 nan 8.240 nan 0.000 0.438 75 M N 0.726 120.182 119.600 -0.240 0.000 2.067 75 M HA -0.111 4.369 4.480 0.000 0.000 0.260 75 M C 2.925 179.135 176.300 -0.150 0.000 1.069 75 M CA 1.738 56.931 55.300 -0.178 0.000 1.117 75 M CB -0.758 31.709 32.600 -0.222 0.000 1.334 75 M HN 0.354 nan 8.290 nan 0.000 0.407 76 A N 0.888 123.692 122.820 -0.027 0.000 1.881 76 A HA -0.213 4.107 4.320 0.000 0.000 0.219 76 A C 2.314 179.976 177.584 0.130 0.000 1.215 76 A CA 2.527 54.724 52.037 0.268 0.000 0.648 76 A CB -1.845 17.252 19.000 0.161 0.000 0.832 76 A HN 0.583 nan 8.150 nan 0.000 0.455 77 G N -1.513 107.190 108.800 -0.163 0.000 2.553 77 G HA2 -0.336 3.624 3.960 0.000 0.000 0.218 77 G HA3 -0.336 3.624 3.960 0.000 0.000 0.218 77 G C 1.567 176.523 174.900 0.093 0.000 1.195 77 G CA 1.209 46.157 45.100 -0.254 0.000 0.779 77 G HN 0.613 nan 8.290 nan 0.000 0.577 78 F N 0.946 120.831 119.950 -0.108 0.000 2.063 78 F HA -0.250 4.277 4.527 0.000 0.000 0.298 78 F C 2.803 178.686 175.800 0.138 0.000 1.109 78 F CA 1.564 59.603 58.000 0.066 0.000 1.212 78 F CB -0.118 38.947 39.000 0.108 0.000 0.973 78 F HN 0.056 nan 8.300 nan 0.000 0.480 79 V N 0.782 120.797 119.914 0.168 0.000 2.324 79 V HA -0.373 3.747 4.120 0.000 0.000 0.250 79 V C 2.161 178.446 176.094 0.319 0.000 1.060 79 V CA 2.332 64.668 62.300 0.060 0.000 1.042 79 V CB -1.299 30.428 31.823 -0.159 0.000 0.650 79 V HN 0.517 nan 8.190 nan 0.000 0.450 80 T N 0.901 115.687 114.554 0.387 0.000 2.545 80 T HA -0.256 4.094 4.350 0.000 0.000 0.261 80 T C 2.122 177.033 174.700 0.352 0.000 1.097 80 T CA 1.856 64.186 62.100 0.383 0.000 1.189 80 T CB -0.872 68.201 68.868 0.341 0.000 0.863 80 T HN 0.579 nan 8.240 nan 0.000 0.405 81 A N 1.337 124.361 122.820 0.339 0.000 1.954 81 A HA -0.183 4.137 4.320 0.000 0.000 0.222 81 A C 2.386 180.244 177.584 0.457 0.000 1.199 81 A CA 1.905 54.131 52.037 0.316 0.000 0.657 81 A CB -1.301 17.878 19.000 0.297 0.000 0.823 81 A HN 0.493 nan 8.150 nan 0.000 0.463 82 L N -0.907 120.636 121.223 0.534 0.000 1.955 82 L HA -0.131 4.209 4.340 0.000 0.000 0.213 82 L C 0.226 177.444 176.870 0.580 0.000 1.072 82 L CA 0.975 56.154 54.840 0.565 0.000 0.755 82 L CB -0.187 42.196 42.059 0.539 0.000 0.888 82 L HN 0.312 nan 8.230 nan 0.000 0.432 83 I N 0.833 121.715 120.570 0.520 0.000 2.442 83 I HA 0.189 4.359 4.170 0.000 0.000 0.279 83 I C -2.060 174.281 176.117 0.373 0.000 1.081 83 I CA -2.476 59.141 61.300 0.527 0.000 1.197 83 I CB 0.131 38.460 38.000 0.547 0.000 1.394 83 I HN 0.033 nan 8.210 nan 0.000 0.488 84 P HA 0.099 nan 4.420 nan 0.000 0.228 84 P C -0.302 177.041 177.300 0.072 0.000 1.748 84 P CA 0.177 63.342 63.100 0.108 0.000 0.909 84 P CB 0.152 31.810 31.700 -0.069 0.000 1.882 85 D N 0.615 121.087 120.400 0.119 0.000 2.471 85 D HA 0.148 4.788 4.640 0.000 0.000 0.245 85 D C 1.086 177.422 176.300 0.058 0.000 1.116 85 D CA -0.676 53.363 54.000 0.065 0.000 0.853 85 D CB 1.100 41.938 40.800 0.063 0.000 1.123 85 D HN -0.057 nan 8.370 nan 0.000 0.540 86 L N 2.650 123.894 121.223 0.035 0.000 2.456 86 L HA -0.092 4.248 4.340 0.000 0.000 0.224 86 L C 1.725 178.600 176.870 0.010 0.000 1.148 86 L CA 0.786 55.647 54.840 0.034 0.000 0.825 86 L CB -0.060 42.010 42.059 0.019 0.000 0.937 86 L HN 0.449 nan 8.230 nan 0.000 0.450 87 T N -0.187 114.359 114.554 -0.013 0.000 2.701 87 T HA -0.135 4.215 4.350 0.000 0.000 0.263 87 T C 1.719 176.357 174.700 -0.104 0.000 1.040 87 T CA 1.154 63.230 62.100 -0.041 0.000 1.147 87 T CB -0.003 68.844 68.868 -0.036 0.000 0.865 87 T HN 0.083 nan 8.240 nan 0.000 0.426 88 L N 0.262 121.371 121.223 -0.190 0.000 2.145 88 L HA 0.305 4.645 4.340 0.000 0.000 0.201 88 L C 0.776 177.250 176.870 -0.659 0.000 1.075 88 L CA 0.564 55.107 54.840 -0.495 0.000 0.773 88 L CB -1.038 40.612 42.059 -0.681 0.000 0.936 88 L HN 0.210 nan 8.230 nan 0.000 0.451 89 L N 2.271 123.310 121.223 -0.306 0.000 2.706 89 L HA -0.118 4.222 4.340 0.000 0.000 0.282 89 L C 0.255 177.265 176.870 0.233 0.000 1.219 89 L CA 0.582 55.544 54.840 0.202 0.000 0.935 89 L CB -0.506 41.846 42.059 0.489 0.000 1.204 89 L HN 0.390 nan 8.230 nan 0.000 0.491 90 N N 3.991 122.873 118.700 0.304 0.000 2.664 90 N HA 0.155 4.895 4.740 0.000 0.000 0.268 90 N C -0.955 174.712 175.510 0.261 0.000 1.222 90 N CA -0.446 52.775 53.050 0.284 0.000 0.805 90 N CB 0.773 39.346 38.487 0.144 0.000 1.399 90 N HN 0.234 nan 8.380 nan 0.000 0.547 91 F N 2.993 123.062 119.950 0.199 0.000 2.733 91 F HA 0.338 4.865 4.527 0.000 0.000 0.344 91 F C 1.431 177.346 175.800 0.192 0.000 1.179 91 F CA -0.460 57.672 58.000 0.220 0.000 1.316 91 F CB -0.320 38.777 39.000 0.162 0.000 1.577 91 F HN 0.118 nan 8.300 nan 0.000 0.591 92 R N 0.121 120.788 120.500 0.278 0.000 2.919 92 R HA -0.136 4.204 4.340 0.000 0.000 0.271 92 R C 0.371 176.665 176.300 -0.011 0.000 0.995 92 R CA -0.011 56.162 56.100 0.122 0.000 1.158 92 R CB 0.079 30.433 30.300 0.089 0.000 1.071 92 R HN 0.262 nan 8.270 nan 0.000 0.476 93 N N 0.240 118.896 118.700 -0.073 0.000 2.437 93 N HA -0.009 4.731 4.740 0.000 0.000 0.243 93 N C 0.686 176.049 175.510 -0.246 0.000 1.041 93 N CA 0.283 53.264 53.050 -0.115 0.000 0.940 93 N CB 0.877 39.335 38.487 -0.047 0.000 1.133 93 N HN 0.643 nan 8.380 nan 0.000 0.506 94 T N -0.082 114.255 114.554 -0.361 0.000 2.850 94 T HA -0.438 3.913 4.350 0.000 0.000 0.232 94 T C 1.350 175.883 174.700 -0.279 0.000 1.186 94 T CA 2.460 64.319 62.100 -0.402 0.000 1.104 94 T CB -1.972 66.773 68.868 -0.204 0.000 0.792 94 T HN 0.638 nan 8.240 nan 0.000 0.505 95 T N -0.328 114.127 114.554 -0.165 0.000 3.609 95 T HA 0.408 4.758 4.350 0.000 0.000 0.245 95 T C 0.334 174.972 174.700 -0.103 0.000 0.980 95 T CA 0.159 62.193 62.100 -0.110 0.000 0.940 95 T CB -0.475 68.353 68.868 -0.068 0.000 1.105 95 T HN 0.778 nan 8.240 nan 0.000 0.627 96 E N -0.633 119.479 120.200 -0.147 0.000 3.315 96 E HA 0.333 4.683 4.350 0.000 0.000 0.153 96 E C 1.248 177.779 176.600 -0.114 0.000 0.934 96 E CA -0.161 56.178 56.400 -0.102 0.000 1.426 96 E CB 0.115 29.770 29.700 -0.075 0.000 1.048 96 E HN 0.432 nan 8.360 nan 0.000 0.422 97 A N 0.509 123.240 122.820 -0.149 0.000 2.194 97 A HA -0.056 4.264 4.320 0.000 0.000 0.220 97 A C 1.683 179.310 177.584 0.071 0.000 1.162 97 A CA 1.688 53.690 52.037 -0.059 0.000 0.674 97 A CB -0.146 18.836 19.000 -0.030 0.000 0.789 97 A HN 0.306 nan 8.150 nan 0.000 0.470 98 G N -1.589 107.225 108.800 0.024 0.000 3.979 98 G HA2 0.376 4.336 3.960 0.000 0.000 0.287 98 G HA3 0.376 4.336 3.960 0.000 0.000 0.287 98 G C 0.056 174.971 174.900 0.024 0.000 1.011 98 G CA 0.215 45.334 45.100 0.032 0.000 0.818 98 G HN 0.233 nan 8.290 nan 0.000 0.470 99 S N 0.337 116.051 115.700 0.024 0.000 2.564 99 S HA 0.286 4.756 4.470 0.000 0.000 0.278 99 S C 1.334 175.952 174.600 0.030 0.000 1.333 99 S CA 0.038 58.251 58.200 0.020 0.000 1.048 99 S CB 1.211 64.420 63.200 0.015 0.000 0.900 99 S HN 0.208 nan 8.310 nan 0.000 0.505 100 T N 1.966 116.533 114.554 0.022 0.000 3.144 100 T HA 0.064 4.414 4.350 0.000 0.000 0.249 100 T C 0.493 175.207 174.700 0.023 0.000 1.089 100 T CA -0.011 62.103 62.100 0.023 0.000 0.989 100 T CB 0.056 68.933 68.868 0.016 0.000 0.992 100 T HN 0.446 nan 8.240 nan 0.000 0.540 101 S N 2.433 118.148 115.700 0.025 0.000 2.560 101 S HA 0.077 4.547 4.470 0.000 0.000 0.323 101 S C 1.246 175.864 174.600 0.031 0.000 1.191 101 S CA -0.423 57.792 58.200 0.024 0.000 1.231 101 S CB 0.161 63.375 63.200 0.024 0.000 1.224 101 S HN 0.379 nan 8.310 nan 0.000 0.545 102 S N 2.784 118.499 115.700 0.025 0.000 2.404 102 S HA -0.064 4.406 4.470 0.000 0.000 0.223 102 S C 2.243 176.858 174.600 0.025 0.000 1.040 102 S CA 0.565 58.779 58.200 0.024 0.000 0.957 102 S CB -0.261 62.949 63.200 0.015 0.000 0.826 102 S HN 0.684 nan 8.310 nan 0.000 0.491 103 S N 2.032 117.744 115.700 0.019 0.000 2.365 103 S HA -0.128 4.342 4.470 0.000 0.000 0.221 103 S C 0.780 175.393 174.600 0.022 0.000 1.037 103 S CA 0.880 59.090 58.200 0.017 0.000 1.060 103 S CB -0.541 62.666 63.200 0.012 0.000 0.974 103 S HN 0.421 nan 8.310 nan 0.000 0.427 104 R N 2.073 122.587 120.500 0.024 0.000 2.465 104 R HA -0.104 4.236 4.340 0.000 0.000 0.273 104 R C 0.001 176.324 176.300 0.039 0.000 0.952 104 R CA 0.674 56.791 56.100 0.028 0.000 1.103 104 R CB -0.466 29.854 30.300 0.033 0.000 0.861 104 R HN 0.571 nan 8.270 nan 0.000 0.425 105 D N 1.952 122.372 120.400 0.034 0.000 2.533 105 D HA -0.088 4.552 4.640 0.000 0.000 0.236 105 D C 0.720 177.067 176.300 0.079 0.000 1.137 105 D CA 0.201 54.227 54.000 0.044 0.000 0.867 105 D CB 0.836 41.653 40.800 0.027 0.000 1.170 105 D HN 0.233 nan 8.370 nan 0.000 0.474 106 K N 3.343 123.798 120.400 0.093 0.000 2.218 106 K HA -0.055 4.265 4.320 0.000 0.000 0.205 106 K C 1.329 178.039 176.600 0.185 0.000 1.046 106 K CA 1.073 57.447 56.287 0.145 0.000 0.933 106 K CB -0.905 31.676 32.500 0.134 0.000 0.728 106 K HN 0.807 nan 8.250 nan 0.000 0.454 107 G N 1.518 110.393 108.800 0.126 0.000 2.326 107 G HA2 -0.236 3.724 3.960 0.000 0.000 0.286 107 G HA3 -0.236 3.724 3.960 0.000 0.000 0.286 107 G C 0.248 175.174 174.900 0.044 0.000 1.096 107 G CA 0.510 45.679 45.100 0.115 0.000 1.003 107 G HN 0.412 nan 8.290 nan 0.000 0.503 108 L N -1.627 119.598 121.223 0.004 0.000 2.953 108 L HA 0.328 4.668 4.340 0.000 0.000 0.258 108 L C 2.136 178.963 176.870 -0.071 0.000 1.100 108 L CA 0.448 55.211 54.840 -0.128 0.000 0.971 108 L CB -0.120 41.814 42.059 -0.208 0.000 1.474 108 L HN 0.306 nan 8.230 nan 0.000 0.540 109 Y N 1.396 121.633 120.300 -0.106 0.000 1.979 109 Y HA -0.265 4.285 4.550 0.000 0.000 0.262 109 Y C 2.187 178.023 175.900 -0.108 0.000 1.142 109 Y CA 2.435 60.469 58.100 -0.109 0.000 1.096 109 Y CB -0.962 37.457 38.460 -0.067 0.000 0.958 109 Y HN 0.153 nan 8.280 nan 0.000 0.484 110 G N 0.009 109.033 108.800 0.372 0.000 2.469 110 G HA2 -0.317 3.643 3.960 0.000 0.000 0.220 110 G HA3 -0.317 3.643 3.960 0.000 0.000 0.220 110 G C 1.537 176.495 174.900 0.098 0.000 1.136 110 G CA 1.129 46.374 45.100 0.241 0.000 0.759 110 G HN 0.482 nan 8.290 nan 0.000 0.562 111 K N -0.693 119.746 120.400 0.065 0.000 2.585 111 K HA 0.079 4.399 4.320 0.000 0.000 0.194 111 K C 0.323 176.982 176.600 0.098 0.000 1.037 111 K CA -0.024 56.343 56.287 0.133 0.000 0.964 111 K CB -0.040 32.554 32.500 0.156 0.000 0.787 111 K HN 0.218 nan 8.250 nan 0.000 0.488 112 L N -0.548 120.578 121.223 -0.163 0.000 2.670 112 L HA 0.421 4.761 4.340 0.000 0.000 0.251 112 L C 0.172 176.919 176.870 -0.206 0.000 1.548 112 L CA -0.506 54.092 54.840 -0.402 0.000 1.643 112 L CB 0.453 42.091 42.059 -0.700 0.000 2.174 112 L HN -0.273 nan 8.230 nan 0.000 0.585 113 K N -1.040 119.194 120.400 -0.278 0.000 2.373 113 K HA 0.716 5.036 4.320 0.000 0.000 0.274 113 K C -1.559 174.925 176.600 -0.194 0.000 1.024 113 K CA -0.671 55.518 56.287 -0.162 0.000 0.867 113 K CB 1.288 33.732 32.500 -0.094 0.000 1.524 113 K HN 0.451 nan 8.250 nan 0.000 0.406 114 A N 0.457 123.205 122.820 -0.121 0.000 2.302 114 A HA 0.617 4.937 4.320 0.000 0.000 0.295 114 A C 0.484 177.997 177.584 -0.118 0.000 1.235 114 A CA 1.006 52.979 52.037 -0.106 0.000 0.876 114 A CB -0.644 18.326 19.000 -0.050 0.000 1.133 114 A HN 0.818 nan 8.150 nan 0.000 0.533 115 G N 0.493 109.214 108.800 -0.132 0.000 2.352 115 G HA2 0.163 4.123 3.960 0.000 0.000 0.324 115 G HA3 0.163 4.123 3.960 0.000 0.000 0.324 115 G C -0.519 174.294 174.900 -0.145 0.000 1.249 115 G CA -0.461 44.570 45.100 -0.115 0.000 1.053 115 G HN 1.294 nan 8.290 nan 0.000 0.492 116 V N -0.135 119.716 119.914 -0.105 0.000 2.715 116 V HA 0.421 4.541 4.120 0.000 0.000 0.299 116 V C 0.747 176.763 176.094 -0.130 0.000 1.054 116 V CA 0.248 62.481 62.300 -0.112 0.000 1.077 116 V CB 0.591 32.414 31.823 0.000 0.000 0.972 116 V HN 0.992 nan 8.190 nan 0.000 0.484 117 C N 4.256 123.405 119.300 -0.252 0.000 2.712 117 C HA 0.714 5.174 4.460 0.000 0.000 0.308 117 C C -0.747 174.058 174.990 -0.309 0.000 1.201 117 C CA -1.126 57.745 59.018 -0.246 0.000 1.554 117 C CB 1.287 28.730 27.740 -0.496 0.000 2.117 117 C HN 0.788 nan 8.230 nan 0.000 0.480 118 Y N 0.395 120.730 120.300 0.059 0.000 2.499 118 Y HA 0.660 5.210 4.550 0.000 0.000 0.347 118 Y C 0.189 176.291 175.900 0.337 0.000 0.987 118 Y CA -0.488 57.660 58.100 0.080 0.000 1.044 118 Y CB 1.871 40.206 38.460 -0.207 0.000 1.245 118 Y HN 0.803 nan 8.280 nan 0.000 0.461 119 A N 2.630 125.667 122.820 0.362 0.000 3.007 119 A HA 0.635 4.955 4.320 0.000 0.000 0.314 119 A C -1.670 176.001 177.584 0.145 0.000 1.153 119 A CA -0.433 51.763 52.037 0.265 0.000 0.780 119 A CB -0.337 18.911 19.000 0.413 0.000 1.258 119 A HN 0.426 nan 8.150 nan 0.000 0.460 120 V N 1.229 121.187 119.914 0.073 0.000 2.837 120 V HA 0.606 4.726 4.120 0.000 0.000 0.310 120 V C 0.034 176.116 176.094 -0.020 0.000 1.059 120 V CA -0.682 61.636 62.300 0.029 0.000 1.004 120 V CB 1.745 33.591 31.823 0.038 0.000 1.045 120 V HN 0.647 nan 8.190 nan 0.000 0.465 121 L N 1.933 123.126 121.223 -0.050 0.000 2.376 121 L HA 0.482 4.822 4.340 0.000 0.000 0.275 121 L C -0.054 176.710 176.870 -0.178 0.000 0.987 121 L CA -0.231 54.514 54.840 -0.158 0.000 0.828 121 L CB 1.897 43.815 42.059 -0.235 0.000 1.249 121 L HN 0.739 nan 8.230 nan 0.000 0.409 122 E N 2.987 123.097 120.200 -0.149 0.000 1.941 122 E HA 0.230 4.580 4.350 0.000 0.000 0.275 122 E C -0.916 175.567 176.600 -0.195 0.000 1.113 122 E CA -0.236 56.102 56.400 -0.103 0.000 0.878 122 E CB 0.660 30.344 29.700 -0.027 0.000 1.070 122 E HN 0.494 nan 8.360 nan 0.000 0.399 123 T N 2.249 116.648 114.554 -0.257 0.000 2.925 123 T HA 0.422 4.772 4.350 0.000 0.000 0.285 123 T C -0.498 174.146 174.700 -0.093 0.000 1.021 123 T CA -0.685 61.233 62.100 -0.303 0.000 1.042 123 T CB 1.724 70.307 68.868 -0.475 0.000 1.037 123 T HN 0.177 nan 8.240 nan 0.000 0.481 124 V N 2.656 122.556 119.914 -0.023 0.000 2.409 124 V HA 0.342 4.462 4.120 0.000 0.000 0.290 124 V C 0.239 176.344 176.094 0.017 0.000 1.017 124 V CA -1.083 61.224 62.300 0.011 0.000 0.841 124 V CB 1.094 32.938 31.823 0.034 0.000 1.003 124 V HN 0.838 nan 8.190 nan 0.000 0.426 125 N N 2.046 120.745 118.700 -0.002 0.000 2.444 125 N HA 0.078 4.818 4.740 0.000 0.000 0.255 125 N C 1.236 176.740 175.510 -0.009 0.000 1.255 125 N CA -0.120 52.920 53.050 -0.016 0.000 0.933 125 N CB 0.811 39.272 38.487 -0.043 0.000 1.143 125 N HN 0.657 nan 8.380 nan 0.000 0.453 126 S N 0.812 116.501 115.700 -0.020 0.000 2.461 126 S HA -0.146 4.324 4.470 0.000 0.000 0.246 126 S C 0.741 175.333 174.600 -0.012 0.000 1.007 126 S CA 1.273 59.463 58.200 -0.016 0.000 0.976 126 S CB -0.132 63.050 63.200 -0.030 0.000 0.763 126 S HN 0.499 nan 8.310 nan 0.000 0.508 127 R N 0.917 121.408 120.500 -0.015 0.000 3.039 127 R HA 0.454 4.794 4.340 0.000 0.000 0.336 127 R C 0.552 176.853 176.300 0.002 0.000 1.258 127 R CA 0.239 56.334 56.100 -0.008 0.000 1.125 127 R CB 0.023 30.315 30.300 -0.013 0.000 1.427 127 R HN 0.236 nan 8.270 nan 0.000 0.588 128 A N 1.099 123.923 122.820 0.007 0.000 2.665 128 A HA -0.271 4.049 4.320 0.000 0.000 0.301 128 A C -0.074 177.520 177.584 0.017 0.000 1.509 128 A CA 1.106 53.151 52.037 0.014 0.000 0.789 128 A CB -1.234 17.774 19.000 0.014 0.000 1.024 128 A HN 0.590 nan 8.150 nan 0.000 0.460 129 Q N -1.041 118.767 119.800 0.014 0.000 2.316 129 Q HA 0.500 4.840 4.340 0.000 0.000 0.264 129 Q C 0.201 176.216 176.000 0.026 0.000 0.987 129 Q CA -0.657 55.159 55.803 0.022 0.000 0.852 129 Q CB 1.730 30.477 28.738 0.014 0.000 1.287 129 Q HN 0.500 nan 8.270 nan 0.000 0.448 130 R N 3.631 124.156 120.500 0.041 0.000 2.235 130 R HA 0.347 4.687 4.340 0.000 0.000 0.338 130 R C -1.011 175.328 176.300 0.065 0.000 1.087 130 R CA -0.123 56.004 56.100 0.044 0.000 0.948 130 R CB 0.128 30.457 30.300 0.050 0.000 1.099 130 R HN 0.586 nan 8.270 nan 0.000 0.483 131 I N 6.577 127.177 120.570 0.049 0.000 2.354 131 I HA 0.332 4.502 4.170 0.000 0.000 0.292 131 I C -0.122 176.030 176.117 0.058 0.000 0.989 131 I CA -0.752 60.605 61.300 0.095 0.000 1.188 131 I CB 1.719 39.762 38.000 0.072 0.000 1.342 131 I HN 0.448 nan 8.210 nan 0.000 0.457 132 I N 5.382 126.015 120.570 0.106 0.000 2.406 132 I HA 0.469 4.639 4.170 0.000 0.000 0.290 132 I C -0.181 175.970 176.117 0.056 0.000 0.999 132 I CA -0.446 60.893 61.300 0.064 0.000 1.124 132 I CB 2.015 40.085 38.000 0.116 0.000 1.289 132 I HN 0.542 nan 8.210 nan 0.000 0.441 133 T N 1.571 116.126 114.554 0.000 0.000 2.893 133 T HA 0.906 5.256 4.350 0.000 0.000 0.293 133 T C -0.308 174.356 174.700 -0.061 0.000 1.027 133 T CA -0.749 61.352 62.100 0.002 0.000 0.988 133 T CB 2.264 71.215 68.868 0.139 0.000 1.043 133 T HN 0.949 nan 8.240 nan 0.000 0.461 134 G N 0.478 109.084 108.800 -0.323 0.000 2.634 134 G HA2 0.635 4.595 3.960 0.000 0.000 0.309 134 G HA3 0.635 4.595 3.960 0.000 0.000 0.309 134 G C -1.920 172.826 174.900 -0.255 0.000 1.299 134 G CA -0.632 44.334 45.100 -0.224 0.000 0.798 134 G HN 1.083 nan 8.290 nan 0.000 0.490 135 V N 0.153 120.132 119.914 0.109 0.000 2.808 135 V HA 0.588 4.708 4.120 0.000 0.000 0.308 135 V C -0.330 175.803 176.094 0.064 0.000 1.099 135 V CA -0.877 61.520 62.300 0.163 0.000 0.920 135 V CB 1.927 33.750 31.823 0.000 0.000 1.014 135 V HN 0.797 nan 8.190 nan 0.000 0.425 136 R N 3.665 124.103 120.500 -0.103 0.000 2.287 136 R HA 0.499 4.839 4.340 0.000 0.000 0.327 136 R C -1.351 174.732 176.300 -0.362 0.000 1.109 136 R CA -0.550 55.204 56.100 -0.576 0.000 1.013 136 R CB 0.381 30.247 30.300 -0.723 0.000 1.126 136 R HN 0.573 nan 8.270 nan 0.000 0.503 137 L N 2.590 123.601 121.223 -0.354 0.000 2.439 137 L HA 0.349 4.689 4.340 0.000 0.000 0.261 137 L C 0.194 176.860 176.870 -0.340 0.000 1.153 137 L CA 0.386 55.033 54.840 -0.321 0.000 0.808 137 L CB 0.923 42.743 42.059 -0.398 0.000 1.126 137 L HN 0.576 nan 8.230 nan 0.000 0.460 138 Q N 0.693 120.316 119.800 -0.294 0.000 2.320 138 Q HA 0.305 4.645 4.340 0.000 0.000 0.272 138 Q C -1.614 174.219 176.000 -0.278 0.000 1.023 138 Q CA -0.748 54.892 55.803 -0.271 0.000 0.855 138 Q CB 1.670 30.291 28.738 -0.195 0.000 1.367 138 Q HN 0.592 nan 8.270 nan 0.000 0.406 139 Q N 2.698 122.304 119.800 -0.325 0.000 2.364 139 Q HA 0.255 4.595 4.340 0.000 0.000 0.267 139 Q C -0.134 175.770 176.000 -0.159 0.000 0.999 139 Q CA 0.503 56.081 55.803 -0.375 0.000 0.886 139 Q CB 0.879 29.350 28.738 -0.445 0.000 1.243 139 Q HN 0.493 nan 8.270 nan 0.000 0.415 140 I N 0.924 121.459 120.570 -0.059 0.000 2.924 140 I HA 0.370 4.540 4.170 0.000 0.000 0.316 140 I C 0.384 176.544 176.117 0.071 0.000 1.014 140 I CA -1.117 60.189 61.300 0.009 0.000 1.106 140 I CB 1.194 39.205 38.000 0.018 0.000 1.311 140 I HN 0.681 nan 8.210 nan 0.000 0.502 141 A N 1.731 124.573 122.820 0.037 0.000 2.615 141 A HA 0.044 4.364 4.320 0.000 0.000 0.230 141 A C 1.352 178.966 177.584 0.051 0.000 1.062 141 A CA 0.578 52.636 52.037 0.035 0.000 0.758 141 A CB -0.396 18.612 19.000 0.014 0.000 0.995 141 A HN 1.051 nan 8.150 nan 0.000 0.511 142 G N 0.591 109.410 108.800 0.032 0.000 2.843 142 G HA2 -0.067 3.893 3.960 0.000 0.000 0.205 142 G HA3 -0.067 3.893 3.960 0.000 0.000 0.205 142 G C 1.299 176.190 174.900 -0.014 0.000 1.160 142 G CA 0.618 45.722 45.100 0.007 0.000 0.819 142 G HN 0.818 nan 8.290 nan 0.000 0.516 143 R N 0.044 120.543 120.500 -0.001 0.000 2.171 143 R HA -0.090 4.250 4.340 0.000 0.000 0.226 143 R C 1.163 177.449 176.300 -0.023 0.000 1.113 143 R CA 2.029 58.124 56.100 -0.008 0.000 0.887 143 R CB -0.287 30.012 30.300 -0.000 0.000 0.830 143 R HN 0.340 nan 8.270 nan 0.000 0.432 144 D N -1.944 118.444 120.400 -0.019 0.000 3.300 144 D HA 0.189 4.829 4.640 0.000 0.000 0.214 144 D C 0.278 176.534 176.300 -0.073 0.000 1.227 144 D CA -0.112 53.863 54.000 -0.041 0.000 1.341 144 D CB 0.639 41.428 40.800 -0.018 0.000 0.921 144 D HN -0.040 nan 8.370 nan 0.000 0.175 145 K N -0.468 119.923 120.400 -0.015 0.000 2.702 145 K HA 0.153 4.473 4.320 0.000 0.000 0.182 145 K C -0.533 176.214 176.600 0.244 0.000 1.167 145 K CA -0.203 56.120 56.287 0.060 0.000 1.128 145 K CB 1.471 33.865 32.500 -0.178 0.000 0.838 145 K HN -0.058 nan 8.250 nan 0.000 0.491 146 K N 1.717 122.188 120.400 0.118 0.000 2.455 146 K HA 0.101 4.421 4.320 0.000 0.000 0.269 146 K C -0.415 176.223 176.600 0.062 0.000 0.972 146 K CA 0.322 56.653 56.287 0.073 0.000 0.938 146 K CB 0.573 33.094 32.500 0.035 0.000 0.931 146 K HN -0.151 nan 8.250 nan 0.000 0.507 147 V N 2.057 121.971 119.914 -0.000 0.000 2.962 147 V HA 0.143 4.263 4.120 0.000 0.000 0.313 147 V C -0.700 175.345 176.094 -0.081 0.000 1.099 147 V CA -1.010 61.244 62.300 -0.076 0.000 0.971 147 V CB 1.843 33.583 31.823 -0.137 0.000 1.028 147 V HN 0.978 nan 8.190 nan 0.000 0.430 148 D N 1.563 121.894 120.400 -0.115 0.000 2.283 148 D HA 0.631 5.271 4.640 0.000 0.000 0.248 148 D C -0.841 175.392 176.300 -0.111 0.000 1.072 148 D CA 0.057 53.996 54.000 -0.101 0.000 0.929 148 D CB 1.025 41.759 40.800 -0.110 0.000 1.182 148 D HN 0.483 nan 8.370 nan 0.000 0.433 149 I N 2.444 122.965 120.570 -0.082 0.000 2.685 149 I HA 0.287 4.457 4.170 0.000 0.000 0.289 149 I C -0.910 175.177 176.117 -0.051 0.000 1.292 149 I CA -0.644 60.611 61.300 -0.074 0.000 1.050 149 I CB 1.854 39.822 38.000 -0.053 0.000 1.301 149 I HN 0.375 nan 8.210 nan 0.000 0.425 150 R N 6.595 127.074 120.500 -0.035 0.000 2.569 150 R HA 0.446 4.786 4.340 0.000 0.000 0.293 150 R C -2.823 173.541 176.300 0.106 0.000 1.186 150 R CA -1.482 54.630 56.100 0.020 0.000 0.956 150 R CB 2.705 33.023 30.300 0.030 0.000 1.196 150 R HN 0.175 nan 8.270 nan 0.000 0.444 151 P HA 0.254 nan 4.420 nan 0.000 0.273 151 P C -1.227 176.327 177.300 0.423 0.000 1.250 151 P CA 0.004 63.036 63.100 -0.114 0.000 0.793 151 P CB 0.421 31.646 31.700 -0.791 0.000 1.011 152 F N -3.410 116.684 119.950 0.240 0.000 2.765 152 F HA 0.499 5.026 4.527 0.000 0.000 0.313 152 F C -0.703 175.351 175.800 0.423 0.000 1.136 152 F CA -0.988 57.270 58.000 0.431 0.000 0.952 152 F CB 0.003 39.236 39.000 0.387 0.000 1.268 152 F HN 0.345 nan 8.300 nan 0.000 0.441 153 S N 1.976 117.870 115.700 0.323 0.000 2.677 153 S HA 0.920 5.390 4.470 0.000 0.000 0.290 153 S C -0.940 173.768 174.600 0.180 0.000 1.124 153 S CA -0.755 57.465 58.200 0.034 0.000 1.017 153 S CB 1.816 64.753 63.200 -0.439 0.000 1.215 153 S HN 1.105 nan 8.310 nan 0.000 0.524 154 L N 1.045 122.336 121.223 0.114 0.000 3.535 154 L HA 0.194 4.534 4.340 0.000 0.000 0.231 154 L C -0.895 176.064 176.870 0.149 0.000 0.986 154 L CA -0.279 54.650 54.840 0.148 0.000 1.318 154 L CB 1.116 43.276 42.059 0.169 0.000 1.793 154 L HN 0.790 nan 8.230 nan 0.000 0.685 155 Q N 1.091 120.982 119.800 0.151 0.000 2.166 155 Q HA 0.427 4.767 4.340 0.000 0.000 0.226 155 Q C 0.406 176.487 176.000 0.135 0.000 0.989 155 Q CA -0.892 55.010 55.803 0.164 0.000 0.966 155 Q CB 0.700 29.552 28.738 0.192 0.000 1.173 155 Q HN 0.432 nan 8.270 nan 0.000 0.509 156 N N -1.018 117.751 118.700 0.115 0.000 2.686 156 N HA -0.168 4.572 4.740 0.000 0.000 0.249 156 N C -1.060 174.505 175.510 0.092 0.000 1.082 156 N CA 0.514 53.620 53.050 0.093 0.000 0.725 156 N CB -1.442 37.097 38.487 0.086 0.000 1.009 156 N HN 0.228 nan 8.380 nan 0.000 0.545 157 V N 1.324 121.297 119.914 0.099 0.000 2.405 157 V HA 0.142 4.262 4.120 0.000 0.000 0.264 157 V C -1.567 174.567 176.094 0.067 0.000 1.048 157 V CA -1.094 61.263 62.300 0.097 0.000 0.966 157 V CB 0.660 32.550 31.823 0.112 0.000 1.015 157 V HN 0.001 nan 8.190 nan 0.000 0.477 158 P HA 0.003 nan 4.420 nan 0.000 0.261 158 P C 0.988 178.309 177.300 0.034 0.000 1.173 158 P CA 0.135 63.256 63.100 0.036 0.000 0.760 158 P CB 0.372 32.086 31.700 0.023 0.000 0.783 159 M N 2.017 121.635 119.600 0.031 0.000 2.435 159 M HA -0.105 4.375 4.480 0.000 0.000 0.262 159 M C 1.322 177.636 176.300 0.024 0.000 1.065 159 M CA 1.688 57.005 55.300 0.030 0.000 1.076 159 M CB -1.395 31.221 32.600 0.027 0.000 1.403 159 M HN 0.305 nan 8.290 nan 0.000 0.454 160 T N 0.100 114.665 114.554 0.019 0.000 3.051 160 T HA -0.042 4.308 4.350 0.000 0.000 0.269 160 T C 0.453 175.160 174.700 0.012 0.000 1.127 160 T CA 0.632 62.739 62.100 0.013 0.000 1.107 160 T CB -0.121 68.751 68.868 0.007 0.000 0.898 160 T HN 0.354 nan 8.240 nan 0.000 0.517 161 D N 0.927 121.337 120.400 0.017 0.000 2.228 161 D HA 0.400 5.040 4.640 0.000 0.000 0.247 161 D C -0.285 176.034 176.300 0.031 0.000 0.995 161 D CA -0.249 53.761 54.000 0.017 0.000 0.903 161 D CB 1.831 42.638 40.800 0.012 0.000 1.205 161 D HN 0.052 nan 8.370 nan 0.000 0.459 162 S N 0.052 115.772 115.700 0.033 0.000 2.646 162 S HA 0.224 4.694 4.470 0.000 0.000 0.276 162 S C 1.430 176.075 174.600 0.075 0.000 1.222 162 S CA -0.726 57.504 58.200 0.050 0.000 1.014 162 S CB 1.194 64.423 63.200 0.048 0.000 0.991 162 S HN 0.218 nan 8.310 nan 0.000 0.533 163 V N 4.387 124.361 119.914 0.100 0.000 2.233 163 V HA -0.188 3.932 4.120 0.000 0.000 0.247 163 V C 2.240 178.471 176.094 0.229 0.000 1.050 163 V CA 2.280 64.679 62.300 0.165 0.000 1.010 163 V CB -0.987 30.928 31.823 0.153 0.000 0.637 163 V HN 0.855 nan 8.190 nan 0.000 0.444 164 I N 1.569 122.255 120.570 0.193 0.000 2.151 164 I HA -0.255 3.916 4.170 0.000 0.000 0.243 164 I C 2.462 178.679 176.117 0.166 0.000 1.080 164 I CA 1.917 63.349 61.300 0.220 0.000 1.339 164 I CB -0.806 37.292 38.000 0.164 0.000 1.039 164 I HN 0.483 nan 8.210 nan 0.000 0.409 165 S N 0.774 116.529 115.700 0.092 0.000 2.609 165 S HA -0.086 4.384 4.470 0.000 0.000 0.250 165 S C 1.529 176.116 174.600 -0.021 0.000 0.974 165 S CA 0.857 59.079 58.200 0.037 0.000 0.962 165 S CB -0.719 62.492 63.200 0.020 0.000 0.756 165 S HN 0.448 nan 8.310 nan 0.000 0.539 166 L N -1.262 119.921 121.223 -0.067 0.000 2.347 166 L HA 0.347 4.687 4.340 0.000 0.000 0.196 166 L C 0.691 177.306 176.870 -0.425 0.000 1.072 166 L CA 0.508 55.159 54.840 -0.315 0.000 0.817 166 L CB -0.104 41.532 42.059 -0.705 0.000 1.029 166 L HN 0.320 nan 8.230 nan 0.000 0.478 167 F N 0.593 120.491 119.950 -0.087 0.000 2.974 167 F HA 0.231 4.758 4.527 0.000 0.000 0.292 167 F C 0.277 176.041 175.800 -0.060 0.000 1.209 167 F CA -0.448 57.431 58.000 -0.202 0.000 1.366 167 F CB -0.228 38.414 39.000 -0.596 0.000 1.033 167 F HN -0.076 nan 8.300 nan 0.000 0.516 168 T N -2.789 111.830 114.554 0.109 0.000 3.395 168 T HA 0.324 4.674 4.350 0.000 0.000 0.330 168 T C -1.106 173.637 174.700 0.072 0.000 1.076 168 T CA -0.825 61.354 62.100 0.132 0.000 1.070 168 T CB 1.863 70.835 68.868 0.172 0.000 1.119 168 T HN 0.308 nan 8.240 nan 0.000 0.462 169 E N 2.271 122.514 120.200 0.071 0.000 2.250 169 E HA 0.370 4.720 4.350 0.000 0.000 0.269 169 E C -0.596 176.030 176.600 0.043 0.000 1.018 169 E CA -0.774 55.648 56.400 0.037 0.000 0.873 169 E CB 1.347 31.064 29.700 0.029 0.000 1.134 169 E HN 0.663 nan 8.360 nan 0.000 0.403 170 Q N 2.258 122.071 119.800 0.021 0.000 2.368 170 Q HA 0.281 4.621 4.340 0.000 0.000 0.256 170 Q C -0.770 175.240 176.000 0.017 0.000 0.980 170 Q CA -0.580 55.234 55.803 0.019 0.000 0.887 170 Q CB 1.698 30.439 28.738 0.006 0.000 1.221 170 Q HN 0.396 nan 8.270 nan 0.000 0.458 171 V N 1.511 121.440 119.914 0.024 0.000 3.503 171 V HA 0.280 4.400 4.120 0.000 0.000 0.294 171 V C 1.335 177.437 176.094 0.012 0.000 1.102 171 V CA 0.480 62.792 62.300 0.021 0.000 0.979 171 V CB 1.053 32.895 31.823 0.031 0.000 1.240 171 V HN 1.016 nan 8.190 nan 0.000 0.444 172 A N 0.819 123.645 122.820 0.010 0.000 1.883 172 A HA -0.308 4.012 4.320 0.000 0.000 0.226 172 A C 1.484 179.069 177.584 0.002 0.000 1.512 172 A CA 3.392 55.432 52.037 0.005 0.000 0.738 172 A CB -0.767 18.236 19.000 0.005 0.000 0.848 172 A HN 0.965 nan 8.150 nan 0.000 0.477 173 N N -3.645 115.056 118.700 0.002 0.000 1.938 173 N HA 0.102 4.842 4.740 0.000 0.000 0.225 173 N C 0.920 176.424 175.510 -0.009 0.000 1.400 173 N CA 0.178 53.225 53.050 -0.006 0.000 0.772 173 N CB 0.547 39.028 38.487 -0.011 0.000 1.124 173 N HN 0.370 nan 8.380 nan 0.000 0.513 174 K N 1.244 121.647 120.400 0.004 0.000 1.993 174 K HA 0.432 4.752 4.320 0.000 0.000 0.220 174 K C 0.437 177.049 176.600 0.021 0.000 1.014 174 K CA 1.332 57.627 56.287 0.013 0.000 1.028 174 K CB -0.132 32.392 32.500 0.040 0.000 0.862 174 K HN 0.131 nan 8.250 nan 0.000 0.446 175 A N -0.104 122.760 122.820 0.073 0.000 2.306 175 A HA 0.457 4.777 4.320 0.000 0.000 0.289 175 A C -1.470 176.220 177.584 0.176 0.000 0.993 175 A CA -0.336 51.772 52.037 0.118 0.000 0.548 175 A CB 0.476 19.547 19.000 0.118 0.000 1.524 175 A HN 0.464 nan 8.150 nan 0.000 0.627 176 R N -1.533 119.098 120.500 0.218 0.000 2.741 176 R HA 0.635 4.975 4.340 0.000 0.000 0.276 176 R C -2.371 174.039 176.300 0.184 0.000 1.028 176 R CA -0.266 55.940 56.100 0.176 0.000 0.865 176 R CB 1.584 31.948 30.300 0.106 0.000 1.268 176 R HN 1.184 nan 8.270 nan 0.000 0.475 177 V N 4.401 124.391 119.914 0.127 0.000 2.516 177 V HA 0.251 4.371 4.120 0.000 0.000 0.271 177 V C 0.297 176.466 176.094 0.126 0.000 0.992 177 V CA -0.796 61.586 62.300 0.136 0.000 0.857 177 V CB 0.973 32.856 31.823 0.100 0.000 1.047 177 V HN 0.620 nan 8.190 nan 0.000 0.455 178 L N 2.516 123.811 121.223 0.119 0.000 2.461 178 L HA 0.739 5.079 4.340 0.000 0.000 0.259 178 L C 0.629 177.594 176.870 0.158 0.000 1.248 178 L CA 0.256 55.155 54.840 0.098 0.000 0.823 178 L CB 0.323 42.417 42.059 0.057 0.000 1.111 178 L HN 0.640 nan 8.230 nan 0.000 0.516 179 S N -0.634 115.130 115.700 0.108 0.000 2.751 179 S HA 0.494 4.964 4.470 0.000 0.000 0.310 179 S C 0.949 175.579 174.600 0.049 0.000 1.128 179 S CA -0.937 57.333 58.200 0.118 0.000 0.931 179 S CB 1.230 64.459 63.200 0.047 0.000 1.177 179 S HN 0.730 nan 8.310 nan 0.000 0.530 180 L N 0.939 122.178 121.223 0.028 0.000 2.011 180 L HA -0.245 4.095 4.340 0.000 0.000 0.225 180 L C 2.804 179.717 176.870 0.072 0.000 1.084 180 L CA 2.094 56.950 54.840 0.026 0.000 0.791 180 L CB -0.991 41.150 42.059 0.137 0.000 0.898 180 L HN 0.760 nan 8.230 nan 0.000 0.440 181 N N -0.110 118.648 118.700 0.096 0.000 2.142 181 N HA -0.182 4.558 4.740 0.000 0.000 0.186 181 N C 1.456 177.004 175.510 0.064 0.000 1.023 181 N CA 1.613 54.727 53.050 0.108 0.000 0.852 181 N CB -0.165 38.366 38.487 0.072 0.000 0.998 181 N HN 0.376 nan 8.380 nan 0.000 0.424 182 D N 0.963 121.380 120.400 0.029 0.000 2.149 182 D HA -0.143 4.497 4.640 0.000 0.000 0.198 182 D C 2.148 178.453 176.300 0.008 0.000 0.990 182 D CA 0.547 54.559 54.000 0.020 0.000 0.839 182 D CB -0.103 40.711 40.800 0.022 0.000 0.948 182 D HN 0.322 nan 8.370 nan 0.000 0.460 183 L N 0.950 122.129 121.223 -0.073 0.000 1.943 183 L HA -0.213 4.127 4.340 0.000 0.000 0.215 183 L C 2.645 179.573 176.870 0.096 0.000 1.074 183 L CA 1.355 56.126 54.840 -0.114 0.000 0.759 183 L CB -0.624 40.963 42.059 -0.787 0.000 0.888 183 L HN -0.048 nan 8.230 nan 0.000 0.433 184 K N 0.265 120.678 120.400 0.023 0.000 2.137 184 K HA -0.320 4.000 4.320 0.000 0.000 0.216 184 K C 1.924 178.656 176.600 0.220 0.000 1.052 184 K CA 2.402 58.873 56.287 0.306 0.000 0.939 184 K CB -0.156 32.550 32.500 0.345 0.000 0.724 184 K HN 0.388 nan 8.250 nan 0.000 0.465 185 E N -0.075 120.201 120.200 0.126 0.000 2.085 185 E HA -0.237 4.113 4.350 0.000 0.000 0.194 185 E C 2.143 178.754 176.600 0.020 0.000 0.994 185 E CA 1.397 57.836 56.400 0.065 0.000 0.801 185 E CB -0.050 29.669 29.700 0.033 0.000 0.743 185 E HN 0.322 nan 8.360 nan 0.000 0.453 186 K N 0.396 120.785 120.400 -0.019 0.000 2.031 186 K HA -0.074 4.246 4.320 0.000 0.000 0.205 186 K C 0.932 177.349 176.600 -0.306 0.000 1.049 186 K CA 0.857 57.007 56.287 -0.228 0.000 0.939 186 K CB 0.013 32.259 32.500 -0.423 0.000 0.717 186 K HN -0.000 nan 8.250 nan 0.000 0.438 187 F N 1.568 121.489 119.950 -0.048 0.000 2.740 187 F HA 0.129 4.656 4.527 0.000 0.000 0.294 187 F C 1.476 177.300 175.800 0.041 0.000 1.225 187 F CA -0.195 57.804 58.000 -0.002 0.000 1.426 187 F CB -0.139 38.871 39.000 0.018 0.000 1.021 187 F HN 0.202 nan 8.300 nan 0.000 0.508 188 E N 1.310 121.582 120.200 0.119 0.000 2.022 188 E HA -0.089 4.261 4.350 0.000 0.000 0.193 188 E C 1.564 178.202 176.600 0.065 0.000 0.969 188 E CA 1.277 57.734 56.400 0.096 0.000 0.834 188 E CB -0.054 29.678 29.700 0.054 0.000 0.798 188 E HN 0.422 nan 8.360 nan 0.000 0.467 189 E N 0.168 120.383 120.200 0.026 0.000 2.502 189 E HA 0.045 4.395 4.350 0.000 0.000 0.194 189 E C 0.110 176.716 176.600 0.010 0.000 1.062 189 E CA 0.253 56.662 56.400 0.015 0.000 0.867 189 E CB 0.181 29.881 29.700 -0.000 0.000 0.888 189 E HN 0.298 nan 8.360 nan 0.000 0.510 190 T N 0.243 114.801 114.554 0.006 0.000 2.625 190 T HA 0.062 4.412 4.350 0.000 0.000 0.357 190 T C 1.104 175.827 174.700 0.037 0.000 1.053 190 T CA 0.279 62.378 62.100 -0.001 0.000 1.037 190 T CB 0.540 69.392 68.868 -0.027 0.000 1.123 190 T HN 0.123 nan 8.240 nan 0.000 0.520 191 A N -0.287 122.558 122.820 0.041 0.000 2.430 191 A HA 0.482 4.802 4.320 0.000 0.000 0.243 191 A C 0.791 178.427 177.584 0.086 0.000 1.254 191 A CA -0.415 51.654 52.037 0.053 0.000 0.914 191 A CB -0.344 18.678 19.000 0.036 0.000 0.998 191 A HN 0.627 nan 8.150 nan 0.000 0.515 192 V N -3.707 116.286 119.914 0.131 0.000 3.096 192 V HA 0.764 4.884 4.120 0.000 0.000 0.319 192 V C -0.159 176.054 176.094 0.198 0.000 1.082 192 V CA -0.498 61.915 62.300 0.189 0.000 1.022 192 V CB 1.301 33.310 31.823 0.311 0.000 1.103 192 V HN 0.022 nan 8.190 nan 0.000 0.455 193 T N 2.929 117.588 114.554 0.175 0.000 2.864 193 T HA 0.420 4.770 4.350 0.000 0.000 0.299 193 T C -0.990 173.795 174.700 0.141 0.000 1.011 193 T CA 0.108 62.288 62.100 0.133 0.000 0.975 193 T CB 0.583 69.493 68.868 0.070 0.000 0.962 193 T HN 0.665 nan 8.240 nan 0.000 0.448 194 F N 4.915 124.845 119.950 -0.033 0.000 2.377 194 F HA 0.463 4.990 4.527 0.000 0.000 0.360 194 F C 0.270 176.025 175.800 -0.076 0.000 1.147 194 F CA -1.400 56.542 58.000 -0.096 0.000 1.170 194 F CB 0.366 39.258 39.000 -0.180 0.000 1.339 194 F HN 0.166 nan 8.300 nan 0.000 0.552 195 K N 8.930 129.135 120.400 -0.326 0.000 2.296 195 K HA 0.297 4.617 4.320 0.000 0.000 0.257 195 K C -2.845 173.322 176.600 -0.721 0.000 1.088 195 K CA -2.212 53.712 56.287 -0.604 0.000 0.980 195 K CB 0.819 32.954 32.500 -0.609 0.000 1.430 195 K HN 0.319 nan 8.250 nan 0.000 0.441 196 P HA 0.048 nan 4.420 nan 0.000 0.277 196 P C -0.763 176.347 177.300 -0.316 0.000 1.354 196 P CA -0.285 62.531 63.100 -0.475 0.000 0.891 196 P CB -0.091 31.274 31.700 -0.558 0.000 1.058 197 Y N 1.546 121.828 120.300 -0.030 0.000 2.511 197 Y HA 0.004 4.554 4.550 0.000 0.000 0.332 197 Y C 2.191 178.163 175.900 0.119 0.000 1.177 197 Y CA 0.546 58.647 58.100 0.002 0.000 1.422 197 Y CB 0.233 38.748 38.460 0.091 0.000 1.271 197 Y HN 0.493 nan 8.280 nan 0.000 0.550 198 H N 0.104 119.224 119.070 0.083 0.000 2.539 198 H HA 0.161 4.717 4.556 0.000 0.000 0.267 198 H C 0.259 175.620 175.328 0.055 0.000 0.982 198 H CA 0.249 56.321 56.048 0.040 0.000 1.146 198 H CB 0.659 30.422 29.762 0.002 0.000 1.382 198 H HN 0.422 nan 8.280 nan 0.000 0.577 199 S N -0.160 115.666 115.700 0.211 0.000 2.542 199 S HA 0.082 4.552 4.470 0.000 0.000 0.276 199 S C 0.602 175.254 174.600 0.088 0.000 1.148 199 S CA -0.815 57.455 58.200 0.115 0.000 0.886 199 S CB 1.116 64.371 63.200 0.091 0.000 1.109 199 S HN 0.309 nan 8.310 nan 0.000 0.458 200 I N 3.721 124.296 120.570 0.008 0.000 2.194 200 I HA -0.168 4.002 4.170 0.000 0.000 0.246 200 I C 1.882 177.923 176.117 -0.126 0.000 1.093 200 I CA 2.484 63.734 61.300 -0.084 0.000 1.355 200 I CB -0.494 37.418 38.000 -0.147 0.000 1.046 200 I HN 0.846 nan 8.210 nan 0.000 0.413 201 T N 0.988 115.504 114.554 -0.064 0.000 2.680 201 T HA -0.271 4.079 4.350 0.000 0.000 0.268 201 T C 1.256 175.955 174.700 -0.002 0.000 1.033 201 T CA 2.291 64.367 62.100 -0.039 0.000 1.152 201 T CB -0.573 68.293 68.868 -0.003 0.000 0.859 201 T HN 0.535 nan 8.240 nan 0.000 0.452 202 D N -0.507 119.930 120.400 0.062 0.000 2.120 202 D HA -0.000 4.640 4.640 0.000 0.000 0.202 202 D C 1.665 177.975 176.300 0.016 0.000 0.972 202 D CA 0.534 54.620 54.000 0.144 0.000 0.837 202 D CB -0.494 40.493 40.800 0.312 0.000 0.989 202 D HN 0.389 nan 8.370 nan 0.000 0.469 203 Y N 1.131 121.295 120.300 -0.226 0.000 2.228 203 Y HA -0.289 4.261 4.550 0.000 0.000 0.285 203 Y C 1.884 177.683 175.900 -0.169 0.000 1.178 203 Y CA 1.829 59.648 58.100 -0.468 0.000 1.202 203 Y CB -0.412 37.879 38.460 -0.281 0.000 0.974 203 Y HN 0.265 nan 8.280 nan 0.000 0.527 204 H N -2.605 116.341 119.070 -0.206 0.000 2.415 204 H HA -0.060 4.496 4.556 0.000 0.000 0.297 204 H C 2.541 177.771 175.328 -0.162 0.000 1.048 204 H CA 0.602 56.495 56.048 -0.258 0.000 1.365 204 H CB -0.064 29.589 29.762 -0.181 0.000 1.421 204 H HN 0.300 nan 8.280 nan 0.000 0.533 205 S N 0.755 116.477 115.700 0.038 0.000 2.365 205 S HA -0.252 4.218 4.470 0.000 0.000 0.225 205 S C 2.000 176.663 174.600 0.104 0.000 1.039 205 S CA 1.586 59.825 58.200 0.065 0.000 1.033 205 S CB -0.471 62.777 63.200 0.079 0.000 0.887 205 S HN 0.436 nan 8.310 nan 0.000 0.447 206 F N 1.633 121.540 119.950 -0.073 0.000 2.102 206 F HA -0.029 4.498 4.527 0.000 0.000 0.298 206 F C 2.131 177.880 175.800 -0.085 0.000 1.105 206 F CA 1.943 59.911 58.000 -0.054 0.000 1.239 206 F CB -0.475 38.469 39.000 -0.094 0.000 0.991 206 F HN 0.220 nan 8.300 nan 0.000 0.474 207 M N -0.896 118.554 119.600 -0.249 0.000 2.117 207 M HA -0.172 4.308 4.480 0.000 0.000 0.262 207 M C 2.171 178.324 176.300 -0.244 0.000 1.065 207 M CA 1.839 56.944 55.300 -0.326 0.000 1.114 207 M CB -0.823 31.644 32.600 -0.221 0.000 1.361 207 M HN 0.297 nan 8.290 nan 0.000 0.408 208 F N 1.774 121.564 119.950 -0.268 0.000 2.102 208 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 208 F C 1.586 177.269 175.800 -0.196 0.000 1.105 208 F CA 1.694 59.569 58.000 -0.208 0.000 1.239 208 F CB -0.282 38.615 39.000 -0.172 0.000 0.991 208 F HN 0.099 nan 8.300 nan 0.000 0.474 209 D N 0.304 120.636 120.400 -0.113 0.000 2.368 209 D HA -0.032 4.608 4.640 0.000 0.000 0.250 209 D C 1.534 177.664 176.300 -0.284 0.000 1.142 209 D CA 0.762 54.657 54.000 -0.174 0.000 0.925 209 D CB -0.115 40.646 40.800 -0.065 0.000 0.896 209 D HN 0.364 nan 8.370 nan 0.000 0.525 210 L N -2.391 118.615 121.223 -0.362 0.000 2.678 210 L HA 0.342 4.682 4.340 0.000 0.000 0.187 210 L C 1.685 178.403 176.870 -0.254 0.000 1.073 210 L CA 0.449 55.095 54.840 -0.324 0.000 0.883 210 L CB 0.538 42.329 42.059 -0.445 0.000 1.501 210 L HN 0.088 nan 8.230 nan 0.000 0.488 211 G N -0.910 107.741 108.800 -0.249 0.000 4.106 211 G HA2 -0.065 3.895 3.960 0.000 0.000 0.220 211 G HA3 -0.065 3.895 3.960 0.000 0.000 0.220 211 G C 0.792 175.660 174.900 -0.053 0.000 0.853 211 G CA -0.131 44.868 45.100 -0.168 0.000 0.920 211 G HN 0.081 nan 8.290 nan 0.000 0.715 212 I N 0.273 120.828 120.570 -0.025 0.000 2.252 212 I HA 0.066 4.236 4.170 0.000 0.000 0.245 212 I C 0.780 176.967 176.117 0.117 0.000 1.102 212 I CA 1.115 62.523 61.300 0.180 0.000 1.385 212 I CB -0.049 38.030 38.000 0.130 0.000 1.064 212 I HN 0.034 nan 8.210 nan 0.000 0.414 213 L N 0.042 121.264 121.223 -0.001 0.000 2.331 213 L HA 0.273 4.613 4.340 0.000 0.000 0.275 213 L C -1.759 175.149 176.870 0.065 0.000 1.022 213 L CA -1.295 53.545 54.840 -0.000 0.000 0.812 213 L CB 0.786 42.793 42.059 -0.087 0.000 1.257 213 L HN -0.241 nan 8.230 nan 0.000 0.435 214 P HA -0.007 nan 4.420 nan 0.000 0.215 214 P C -0.300 177.171 177.300 0.284 0.000 1.160 214 P CA 0.632 63.851 63.100 0.199 0.000 0.869 214 P CB 0.328 32.219 31.700 0.319 0.000 0.782 215 K N 0.116 120.576 120.400 0.100 0.000 2.095 215 K HA 0.247 4.567 4.320 0.000 0.000 0.252 215 K C -0.009 176.342 176.600 -0.414 0.000 0.977 215 K CA -0.767 55.407 56.287 -0.188 0.000 0.900 215 K CB 0.732 32.752 32.500 -0.801 0.000 1.060 215 K HN -0.313 nan 8.250 nan 0.000 0.449 216 R N 3.587 123.696 120.500 -0.652 0.000 2.429 216 R HA 0.128 4.468 4.340 0.000 0.000 0.302 216 R C -0.828 175.090 176.300 -0.636 0.000 1.268 216 R CA -0.461 55.003 56.100 -1.059 0.000 1.090 216 R CB -0.796 29.050 30.300 -0.758 0.000 1.102 216 R HN 0.377 nan 8.270 nan 0.000 0.522 217 L N 5.192 126.075 121.223 -0.566 0.000 2.515 217 L HA 0.128 4.468 4.340 0.000 0.000 0.281 217 L C 1.706 178.447 176.870 -0.214 0.000 1.131 217 L CA 0.646 55.295 54.840 -0.319 0.000 0.905 217 L CB 0.283 42.221 42.059 -0.201 0.000 1.246 217 L HN 0.309 nan 8.230 nan 0.000 0.463 218 R N 0.394 120.779 120.500 -0.192 0.000 2.121 218 R HA 0.261 4.601 4.340 0.000 0.000 0.206 218 R C 0.636 176.886 176.300 -0.083 0.000 1.094 218 R CA 0.198 56.216 56.100 -0.137 0.000 1.055 218 R CB 0.401 30.615 30.300 -0.144 0.000 0.964 218 R HN 0.562 nan 8.270 nan 0.000 0.473 219 S N -1.263 114.392 115.700 -0.076 0.000 2.740 219 S HA 0.237 4.707 4.470 0.000 0.000 0.300 219 S C 0.709 175.289 174.600 -0.032 0.000 1.147 219 S CA -0.679 57.492 58.200 -0.047 0.000 0.871 219 S CB 1.899 65.072 63.200 -0.045 0.000 1.173 219 S HN 0.101 nan 8.310 nan 0.000 0.510 220 S N 1.260 116.949 115.700 -0.018 0.000 2.387 220 S HA -0.128 4.342 4.470 0.000 0.000 0.230 220 S C 2.029 176.627 174.600 -0.003 0.000 1.035 220 S CA 1.804 60.002 58.200 -0.004 0.000 1.014 220 S CB -0.667 62.530 63.200 -0.006 0.000 0.836 220 S HN 0.709 nan 8.310 nan 0.000 0.466 221 S N 1.248 116.936 115.700 -0.019 0.000 2.400 221 S HA -0.189 4.281 4.470 0.000 0.000 0.232 221 S C 1.186 175.765 174.600 -0.036 0.000 1.025 221 S CA 1.741 59.927 58.200 -0.024 0.000 0.993 221 S CB -0.440 62.737 63.200 -0.038 0.000 0.808 221 S HN 0.531 nan 8.310 nan 0.000 0.478 222 D N 0.495 120.862 120.400 -0.056 0.000 2.165 222 D HA 0.095 4.735 4.640 0.000 0.000 0.213 222 D C 2.359 178.649 176.300 -0.016 0.000 0.983 222 D CA 0.658 54.601 54.000 -0.094 0.000 0.881 222 D CB -0.274 40.431 40.800 -0.159 0.000 1.028 222 D HN 0.227 nan 8.370 nan 0.000 0.457 223 R N 0.657 121.168 120.500 0.020 0.000 2.162 223 R HA -0.281 4.059 4.340 0.000 0.000 0.245 223 R C 2.034 178.451 176.300 0.194 0.000 1.129 223 R CA 1.772 57.947 56.100 0.125 0.000 0.940 223 R CB -0.980 29.399 30.300 0.132 0.000 0.875 223 R HN 0.192 nan 8.270 nan 0.000 0.437 224 N N 0.835 119.610 118.700 0.126 0.000 2.133 224 N HA -0.226 4.514 4.740 0.000 0.000 0.193 224 N C 1.334 176.984 175.510 0.233 0.000 1.012 224 N CA 2.079 55.209 53.050 0.135 0.000 0.871 224 N CB -0.026 38.507 38.487 0.076 0.000 1.011 224 N HN 0.295 nan 8.380 nan 0.000 0.435 225 K N -1.288 119.255 120.400 0.237 0.000 2.031 225 K HA -0.083 4.237 4.320 0.000 0.000 0.205 225 K C 1.896 178.792 176.600 0.494 0.000 1.049 225 K CA 1.100 57.624 56.287 0.396 0.000 0.939 225 K CB -0.382 32.235 32.500 0.195 0.000 0.717 225 K HN 0.154 nan 8.250 nan 0.000 0.438 226 F N 1.267 121.349 119.950 0.221 0.000 2.046 226 F HA -0.311 4.217 4.527 0.000 0.000 0.297 226 F C 2.420 178.360 175.800 0.232 0.000 1.123 226 F CA 1.569 59.704 58.000 0.225 0.000 1.199 226 F CB -0.631 38.382 39.000 0.022 0.000 0.972 226 F HN 0.042 nan 8.300 nan 0.000 0.474 227 Y N 1.168 121.595 120.300 0.212 0.000 2.114 227 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 227 Y C 2.497 178.354 175.900 -0.072 0.000 1.165 227 Y CA 2.469 60.601 58.100 0.054 0.000 1.148 227 Y CB -0.855 37.670 38.460 0.108 0.000 0.972 227 Y HN 0.121 nan 8.280 nan 0.000 0.504 228 K N 0.326 120.921 120.400 0.326 0.000 2.152 228 K HA -0.198 4.122 4.320 0.000 0.000 0.206 228 K C 2.226 178.774 176.600 -0.087 0.000 1.048 228 K CA 1.600 57.984 56.287 0.161 0.000 0.933 228 K CB -0.477 32.148 32.500 0.208 0.000 0.721 228 K HN 0.598 nan 8.250 nan 0.000 0.447 229 L N -0.280 120.890 121.223 -0.089 0.000 2.072 229 L HA -0.025 4.315 4.340 0.000 0.000 0.205 229 L C 1.889 178.562 176.870 -0.327 0.000 1.079 229 L CA 1.193 55.909 54.840 -0.208 0.000 0.752 229 L CB -0.162 41.818 42.059 -0.132 0.000 0.906 229 L HN 0.150 nan 8.230 nan 0.000 0.436 230 I N 0.346 120.658 120.570 -0.429 0.000 2.361 230 I HA -0.268 3.902 4.170 0.000 0.000 0.251 230 I C 2.528 178.365 176.117 -0.467 0.000 1.133 230 I CA 1.563 62.612 61.300 -0.418 0.000 1.413 230 I CB -0.358 37.360 38.000 -0.470 0.000 1.073 230 I HN 0.503 nan 8.210 nan 0.000 0.424 231 E N 1.443 121.277 120.200 -0.611 0.000 2.110 231 E HA -0.227 4.123 4.350 0.000 0.000 0.193 231 E C 2.254 178.534 176.600 -0.534 0.000 0.988 231 E CA 1.224 57.186 56.400 -0.730 0.000 0.804 231 E CB 0.062 29.418 29.700 -0.573 0.000 0.745 231 E HN 0.470 nan 8.360 nan 0.000 0.458 232 A N 1.199 123.810 122.820 -0.349 0.000 1.841 232 A HA -0.251 4.069 4.320 0.000 0.000 0.216 232 A C 2.413 179.875 177.584 -0.204 0.000 1.199 232 A CA 2.576 54.465 52.037 -0.245 0.000 0.621 232 A CB -1.181 17.677 19.000 -0.237 0.000 0.835 232 A HN 0.480 nan 8.150 nan 0.000 0.445 233 S N -0.331 115.248 115.700 -0.202 0.000 2.419 233 S HA -0.111 4.359 4.470 0.000 0.000 0.235 233 S C 1.898 176.455 174.600 -0.072 0.000 1.019 233 S CA 1.481 59.599 58.200 -0.136 0.000 0.982 233 S CB -0.621 62.487 63.200 -0.152 0.000 0.789 233 S HN 0.433 nan 8.310 nan 0.000 0.490 234 L N -0.733 120.397 121.223 -0.155 0.000 2.072 234 L HA 0.066 4.406 4.340 0.000 0.000 0.205 234 L C 1.906 178.826 176.870 0.083 0.000 1.079 234 L CA 1.401 56.138 54.840 -0.171 0.000 0.752 234 L CB -0.181 41.558 42.059 -0.534 0.000 0.906 234 L HN 0.444 nan 8.230 nan 0.000 0.436 235 Y N -0.681 119.538 120.300 -0.136 0.000 2.458 235 Y HA 0.249 4.799 4.550 0.000 0.000 0.256 235 Y C 1.310 177.152 175.900 -0.096 0.000 1.159 235 Y CA -0.327 57.708 58.100 -0.108 0.000 1.261 235 Y CB 0.398 38.794 38.460 -0.107 0.000 1.119 235 Y HN 0.277 nan 8.280 nan 0.000 0.524 236 G N 1.077 109.900 108.800 0.039 0.000 2.967 236 G HA2 0.105 4.065 3.960 0.000 0.000 0.684 236 G HA3 0.105 4.065 3.960 0.000 0.000 0.684 236 G C 0.169 175.040 174.900 -0.049 0.000 1.596 236 G CA -0.195 44.886 45.100 -0.033 0.000 1.102 236 G HN 0.993 nan 8.290 nan 0.000 0.596 237 G N -0.399 108.346 108.800 -0.092 0.000 2.566 237 G HA2 0.205 4.165 3.960 0.000 0.000 0.599 237 G HA3 0.205 4.165 3.960 0.000 0.000 0.599 237 G C -0.028 174.814 174.900 -0.097 0.000 1.292 237 G CA -0.272 44.772 45.100 -0.093 0.000 0.922 237 G HN 1.700 nan 8.290 nan 0.000 0.514 238 I N 1.618 122.136 120.570 -0.086 0.000 2.389 238 I HA 0.243 4.413 4.170 0.000 0.000 0.295 238 I C 1.354 177.419 176.117 -0.087 0.000 1.117 238 I CA 0.301 61.547 61.300 -0.088 0.000 1.317 238 I CB 0.946 38.903 38.000 -0.071 0.000 1.431 238 I HN 0.524 nan 8.210 nan 0.000 0.521 239 S N 4.541 120.174 115.700 -0.112 0.000 2.519 239 S HA -0.041 4.429 4.470 0.000 0.000 0.310 239 S C 1.519 176.054 174.600 -0.108 0.000 1.201 239 S CA 0.057 58.189 58.200 -0.114 0.000 1.179 239 S CB 0.413 63.515 63.200 -0.163 0.000 1.104 239 S HN 0.748 nan 8.310 nan 0.000 0.527 240 S N 4.286 119.944 115.700 -0.071 0.000 2.372 240 S HA -0.149 4.321 4.470 0.000 0.000 0.227 240 S C 1.791 176.352 174.600 -0.065 0.000 1.044 240 S CA 2.137 60.303 58.200 -0.057 0.000 1.050 240 S CB -0.533 62.647 63.200 -0.034 0.000 0.901 240 S HN 0.714 nan 8.310 nan 0.000 0.447 241 V N 1.273 121.147 119.914 -0.066 0.000 2.332 241 V HA -0.176 3.944 4.120 0.000 0.000 0.248 241 V C 2.259 178.281 176.094 -0.120 0.000 1.055 241 V CA 1.953 64.218 62.300 -0.058 0.000 1.038 241 V CB -0.777 31.026 31.823 -0.033 0.000 0.651 241 V HN 0.442 nan 8.190 nan 0.000 0.450 242 I N 0.240 120.660 120.570 -0.250 0.000 2.500 242 I HA -0.124 4.046 4.170 0.000 0.000 0.252 242 I C 2.481 178.452 176.117 -0.245 0.000 1.142 242 I CA 1.468 62.489 61.300 -0.465 0.000 1.451 242 I CB -0.913 36.696 38.000 -0.652 0.000 1.093 242 I HN 0.235 nan 8.210 nan 0.000 0.430 243 T N 0.628 115.087 114.554 -0.159 0.000 2.746 243 T HA -0.194 4.156 4.350 0.000 0.000 0.267 243 T C 1.843 176.512 174.700 -0.052 0.000 1.039 243 T CA 1.333 63.375 62.100 -0.096 0.000 1.142 243 T CB -0.189 68.632 68.868 -0.077 0.000 0.866 243 T HN 0.295 nan 8.240 nan 0.000 0.444 244 K N 1.245 121.623 120.400 -0.037 0.000 1.975 244 K HA -0.046 4.274 4.320 0.000 0.000 0.225 244 K C 0.990 177.596 176.600 0.009 0.000 1.050 244 K CA 1.228 57.510 56.287 -0.009 0.000 0.992 244 K CB -0.269 32.233 32.500 0.004 0.000 0.738 244 K HN 0.072 nan 8.250 nan 0.000 0.446 245 S N 0.929 116.655 115.700 0.044 0.000 2.567 245 S HA 0.248 4.718 4.470 0.000 0.000 0.262 245 S C 0.815 175.489 174.600 0.124 0.000 1.237 245 S CA -0.375 57.865 58.200 0.067 0.000 1.093 245 S CB 0.411 63.656 63.200 0.074 0.000 1.095 245 S HN 0.178 nan 8.310 nan 0.000 0.489 246 L N 1.741 123.005 121.223 0.068 0.000 2.313 246 L HA 0.110 4.450 4.340 0.000 0.000 0.214 246 L C 2.752 179.676 176.870 0.090 0.000 1.119 246 L CA 0.571 55.462 54.840 0.085 0.000 0.809 246 L CB -0.252 41.814 42.059 0.012 0.000 0.933 246 L HN 0.471 nan 8.230 nan 0.000 0.449 247 R N 0.702 121.226 120.500 0.039 0.000 2.127 247 R HA -0.187 4.153 4.340 0.000 0.000 0.238 247 R C 0.938 177.239 176.300 0.002 0.000 1.134 247 R CA 1.784 57.880 56.100 -0.007 0.000 0.975 247 R CB -0.183 30.092 30.300 -0.042 0.000 0.865 247 R HN 0.389 nan 8.270 nan 0.000 0.447 248 D N -1.852 118.576 120.400 0.046 0.000 2.340 248 D HA -0.032 4.608 4.640 0.000 0.000 0.220 248 D C 0.359 176.625 176.300 -0.056 0.000 1.039 248 D CA 0.591 54.587 54.000 -0.007 0.000 0.866 248 D CB 0.237 41.033 40.800 -0.006 0.000 0.913 248 D HN 0.242 nan 8.370 nan 0.000 0.523 249 Y N -0.811 119.520 120.300 0.050 0.000 2.500 249 Y HA 0.361 4.911 4.550 0.000 0.000 0.246 249 Y C 1.240 177.145 175.900 0.008 0.000 1.146 249 Y CA 0.146 58.289 58.100 0.072 0.000 1.230 249 Y CB 0.806 39.267 38.460 0.002 0.000 1.214 249 Y HN -0.103 nan 8.280 nan 0.000 0.526 250 L N -0.872 120.418 121.223 0.112 0.000 3.174 250 L HA 0.241 4.581 4.340 0.000 0.000 0.283 250 L C -1.140 175.770 176.870 0.067 0.000 1.187 250 L CA 0.024 54.895 54.840 0.050 0.000 1.018 250 L CB 0.776 42.842 42.059 0.012 0.000 1.433 250 L HN -0.134 nan 8.230 nan 0.000 0.593 251 L N 2.556 123.819 121.223 0.067 0.000 2.272 251 L HA 0.435 4.775 4.340 0.000 0.000 0.289 251 L C -2.181 174.755 176.870 0.109 0.000 1.032 251 L CA -1.527 53.359 54.840 0.078 0.000 0.810 251 L CB 0.474 42.520 42.059 -0.023 0.000 1.205 251 L HN -0.195 nan 8.230 nan 0.000 0.422 252 P HA 0.132 nan 4.420 nan 0.000 0.281 252 P C -0.670 176.724 177.300 0.156 0.000 1.286 252 P CA -0.511 62.673 63.100 0.141 0.000 0.772 252 P CB 0.593 32.369 31.700 0.127 0.000 0.862 253 E N 2.800 123.058 120.200 0.095 0.000 1.943 253 E HA -0.024 4.326 4.350 0.000 0.000 0.254 253 E C 0.249 176.903 176.600 0.089 0.000 1.239 253 E CA 0.030 56.482 56.400 0.088 0.000 1.027 253 E CB -0.620 29.095 29.700 0.025 0.000 1.087 253 E HN 0.267 nan 8.360 nan 0.000 0.437 254 N N 1.879 120.656 118.700 0.127 0.000 2.543 254 N HA -0.032 4.708 4.740 0.000 0.000 0.289 254 N C 0.187 175.722 175.510 0.041 0.000 1.223 254 N CA 0.133 53.211 53.050 0.046 0.000 1.080 254 N CB 0.462 38.927 38.487 -0.036 0.000 1.450 254 N HN 0.225 nan 8.380 nan 0.000 0.501 255 S N 0.294 116.014 115.700 0.033 0.000 2.520 255 S HA -0.122 4.348 4.470 0.000 0.000 0.249 255 S C 1.809 176.426 174.600 0.029 0.000 0.983 255 S CA 0.887 59.104 58.200 0.028 0.000 0.958 255 S CB 0.067 63.276 63.200 0.015 0.000 0.750 255 S HN 0.692 nan 8.310 nan 0.000 0.527 256 G N 1.760 110.574 108.800 0.023 0.000 2.556 256 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 256 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 256 G C 1.388 176.319 174.900 0.052 0.000 1.258 256 G CA 0.825 45.940 45.100 0.024 0.000 0.811 256 G HN 0.380 nan 8.290 nan 0.000 0.557 257 V N 0.844 120.787 119.914 0.049 0.000 2.357 257 V HA -0.280 3.840 4.120 0.000 0.000 0.257 257 V C 2.800 178.984 176.094 0.149 0.000 1.082 257 V CA 2.364 64.725 62.300 0.102 0.000 1.078 257 V CB -0.548 31.291 31.823 0.026 0.000 0.663 257 V HN 0.310 nan 8.190 nan 0.000 0.455 258 R N -0.790 119.764 120.500 0.090 0.000 2.104 258 R HA -0.115 4.225 4.340 0.000 0.000 0.208 258 R C 2.450 178.818 176.300 0.113 0.000 1.168 258 R CA 1.456 57.609 56.100 0.088 0.000 0.950 258 R CB -0.695 29.634 30.300 0.047 0.000 0.778 258 R HN 0.533 nan 8.270 nan 0.000 0.482 259 Q N 0.215 120.057 119.800 0.069 0.000 2.165 259 Q HA -0.299 4.041 4.340 0.000 0.000 0.215 259 Q C 1.783 177.820 176.000 0.061 0.000 1.010 259 Q CA 2.512 58.349 55.803 0.055 0.000 0.896 259 Q CB -0.215 28.541 28.738 0.032 0.000 0.956 259 Q HN 0.504 nan 8.270 nan 0.000 0.413 260 A N 0.098 122.957 122.820 0.065 0.000 1.851 260 A HA -0.214 4.106 4.320 0.000 0.000 0.216 260 A C 1.835 179.440 177.584 0.034 0.000 1.195 260 A CA 1.557 53.615 52.037 0.036 0.000 0.622 260 A CB -1.250 17.770 19.000 0.033 0.000 0.831 260 A HN 0.556 nan 8.150 nan 0.000 0.444 261 F N 0.382 120.319 119.950 -0.022 0.000 2.043 261 F HA -0.295 4.232 4.527 0.000 0.000 0.297 261 F C 2.852 178.634 175.800 -0.030 0.000 1.121 261 F CA 2.492 60.474 58.000 -0.031 0.000 1.199 261 F CB -0.405 38.601 39.000 0.011 0.000 0.968 261 F HN 0.323 nan 8.300 nan 0.000 0.478 262 Q N -0.353 119.592 119.800 0.242 0.000 2.173 262 Q HA -0.285 4.055 4.340 0.000 0.000 0.208 262 Q C 1.753 177.788 176.000 0.058 0.000 0.989 262 Q CA 2.020 57.913 55.803 0.150 0.000 0.872 262 Q CB -0.411 28.394 28.738 0.112 0.000 0.909 262 Q HN 0.468 nan 8.270 nan 0.000 0.420 263 D N -0.057 120.355 120.400 0.020 0.000 2.097 263 D HA -0.131 4.509 4.640 0.000 0.000 0.195 263 D C 1.484 177.750 176.300 -0.056 0.000 0.989 263 D CA 0.936 54.926 54.000 -0.017 0.000 0.827 263 D CB -0.049 40.736 40.800 -0.024 0.000 0.966 263 D HN 0.112 nan 8.370 nan 0.000 0.456 264 M N 0.384 119.912 119.600 -0.119 0.000 2.706 264 M HA -0.091 4.389 4.480 0.000 0.000 0.253 264 M C 1.019 177.236 176.300 -0.138 0.000 1.063 264 M CA 0.772 55.970 55.300 -0.170 0.000 1.067 264 M CB -0.558 31.857 32.600 -0.308 0.000 1.423 264 M HN 0.082 nan 8.290 nan 0.000 0.530 265 E N 0.130 120.287 120.200 -0.072 0.000 2.368 265 E HA 0.284 4.634 4.350 0.000 0.000 0.188 265 E C 0.179 176.778 176.600 -0.002 0.000 1.061 265 E CA -0.369 56.020 56.400 -0.018 0.000 0.933 265 E CB 0.352 30.085 29.700 0.055 0.000 1.091 265 E HN 0.354 nan 8.360 nan 0.000 0.458 1262 S N -0.251 115.481 115.700 0.053 0.000 2.511 1262 S HA 0.387 4.857 4.470 0.000 0.000 0.283 1262 S C -0.679 173.906 174.600 -0.026 0.000 1.078 1262 S CA -0.531 57.706 58.200 0.062 0.000 0.994 1262 S CB 0.291 63.520 63.200 0.049 0.000 1.171 1262 S HN 0.613 nan 8.310 nan 0.000 0.444 1263 I N 1.817 122.371 120.570 -0.028 0.000 3.833 1263 I HA 0.345 4.515 4.170 0.000 0.000 0.328 1263 I C 0.365 176.496 176.117 0.024 0.000 1.554 1263 I CA -0.273 60.938 61.300 -0.148 0.000 1.116 1263 I CB 0.736 38.419 38.000 -0.528 0.000 1.182 1263 I HN 0.606 nan 8.210 nan 0.000 0.459 1264 S N 1.955 117.709 115.700 0.090 0.000 3.551 1264 S HA -0.187 4.284 4.470 0.000 0.000 0.547 1264 S C 1.464 176.174 174.600 0.184 0.000 0.699 1264 S CA 0.284 58.552 58.200 0.113 0.000 1.399 1264 S CB -0.387 62.854 63.200 0.069 0.000 0.922 1264 S HN 0.711 nan 8.310 nan 0.000 0.818 1265 A N 3.244 126.187 122.820 0.206 0.000 1.957 1265 A HA -0.296 4.024 4.320 0.000 0.000 0.224 1265 A C 1.905 179.593 177.584 0.173 0.000 1.287 1265 A CA 2.436 54.597 52.037 0.206 0.000 0.682 1265 A CB -0.492 18.595 19.000 0.144 0.000 0.833 1265 A HN 0.876 nan 8.150 nan 0.000 0.482 1266 E N -1.479 118.801 120.200 0.132 0.000 2.033 1266 E HA -0.091 4.259 4.350 0.000 0.000 0.189 1266 E C 2.338 179.017 176.600 0.133 0.000 0.979 1266 E CA 0.816 57.281 56.400 0.110 0.000 0.802 1266 E CB -0.311 29.434 29.700 0.075 0.000 0.763 1266 E HN 0.597 nan 8.360 nan 0.000 0.449 1267 S N 0.608 116.384 115.700 0.126 0.000 2.422 1267 S HA -0.231 4.239 4.470 0.000 0.000 0.241 1267 S C 2.090 176.804 174.600 0.190 0.000 1.076 1267 S CA 1.584 59.858 58.200 0.124 0.000 1.066 1267 S CB -0.375 62.880 63.200 0.092 0.000 0.890 1267 S HN 0.091 nan 8.310 nan 0.000 0.465 1268 V N 1.941 122.023 119.914 0.280 0.000 2.219 1268 V HA -0.240 3.880 4.120 0.000 0.000 0.248 1268 V C 2.851 179.090 176.094 0.243 0.000 1.053 1268 V CA 2.150 64.689 62.300 0.398 0.000 1.009 1268 V CB -1.585 30.528 31.823 0.484 0.000 0.636 1268 V HN 0.670 nan 8.190 nan 0.000 0.445 1269 A N -0.017 122.916 122.820 0.188 0.000 2.024 1269 A HA -0.284 4.036 4.320 0.000 0.000 0.220 1269 A C 2.155 179.819 177.584 0.133 0.000 1.164 1269 A CA 2.026 54.157 52.037 0.156 0.000 0.643 1269 A CB -0.863 18.208 19.000 0.119 0.000 0.806 1269 A HN 0.616 nan 8.150 nan 0.000 0.451 1270 N N 0.282 119.055 118.700 0.123 0.000 2.120 1270 N HA -0.141 4.599 4.740 0.000 0.000 0.188 1270 N C 1.589 177.154 175.510 0.091 0.000 1.024 1270 N CA 1.676 54.782 53.050 0.094 0.000 0.852 1270 N CB -0.192 38.345 38.487 0.083 0.000 1.003 1270 N HN 0.394 nan 8.380 nan 0.000 0.424 1271 I N 1.396 122.039 120.570 0.122 0.000 2.163 1271 I HA -0.197 3.973 4.170 0.000 0.000 0.240 1271 I C 2.460 178.617 176.117 0.067 0.000 1.081 1271 I CA 0.590 61.954 61.300 0.107 0.000 1.353 1271 I CB -1.301 36.818 38.000 0.198 0.000 1.054 1271 I HN 0.125 nan 8.210 nan 0.000 0.407 1272 L N 0.308 121.580 121.223 0.082 0.000 1.990 1272 L HA -0.242 4.098 4.340 0.000 0.000 0.213 1272 L C 2.845 179.767 176.870 0.087 0.000 1.072 1272 L CA 1.634 56.513 54.840 0.066 0.000 0.755 1272 L CB -0.620 41.523 42.059 0.141 0.000 0.889 1272 L HN 0.181 nan 8.230 nan 0.000 0.432 1273 R N -0.065 120.501 120.500 0.110 0.000 2.120 1273 R HA -0.139 4.201 4.340 0.000 0.000 0.234 1273 R C 1.963 178.292 176.300 0.049 0.000 1.123 1273 R CA 1.012 57.168 56.100 0.093 0.000 0.975 1273 R CB -0.140 30.210 30.300 0.083 0.000 0.866 1273 R HN 0.338 nan 8.270 nan 0.000 0.446 1274 K N -0.496 119.923 120.400 0.030 0.000 2.525 1274 K HA 0.017 4.337 4.320 0.000 0.000 0.192 1274 K C 0.877 177.458 176.600 -0.033 0.000 1.029 1274 K CA 0.707 56.997 56.287 0.005 0.000 1.029 1274 K CB 0.520 33.025 32.500 0.010 0.000 0.814 1274 K HN 0.122 nan 8.250 nan 0.000 0.503 1275 T N 0.211 114.727 114.554 -0.064 0.000 3.058 1275 T HA 0.173 4.523 4.350 0.000 0.000 0.247 1275 T C 1.693 176.300 174.700 -0.156 0.000 0.987 1275 T CA -0.131 61.864 62.100 -0.175 0.000 1.062 1275 T CB 0.225 68.890 68.868 -0.340 0.000 1.048 1275 T HN 0.032 nan 8.240 nan 0.000 0.468 1276 I N 1.687 122.238 120.570 -0.032 0.000 2.335 1276 I HA -0.204 3.966 4.170 0.000 0.000 0.251 1276 I C 2.636 178.793 176.117 0.066 0.000 1.129 1276 I CA 1.328 62.697 61.300 0.115 0.000 1.402 1276 I CB -0.165 37.950 38.000 0.191 0.000 1.069 1276 I HN 0.212 nan 8.210 nan 0.000 0.424 1277 Q N 0.789 120.607 119.800 0.030 0.000 2.230 1277 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 1277 Q C 2.110 178.112 176.000 0.003 0.000 0.963 1277 Q CA 1.202 57.017 55.803 0.020 0.000 0.866 1277 Q CB -0.111 28.636 28.738 0.015 0.000 0.931 1277 Q HN 0.295 nan 8.270 nan 0.000 0.452 1278 R N 0.053 120.539 120.500 -0.022 0.000 2.126 1278 R HA -0.200 4.140 4.340 0.000 0.000 0.224 1278 R C 1.894 178.187 176.300 -0.011 0.000 1.128 1278 R CA 1.859 57.939 56.100 -0.033 0.000 0.895 1278 R CB -0.448 29.806 30.300 -0.077 0.000 0.817 1278 R HN 0.167 nan 8.270 nan 0.000 0.435 1279 E N 0.624 120.821 120.200 -0.005 0.000 2.273 1279 E HA -0.258 4.093 4.350 0.000 0.000 0.198 1279 E C 1.895 178.522 176.600 0.045 0.000 1.002 1279 E CA 1.614 58.040 56.400 0.043 0.000 0.828 1279 E CB -0.099 29.676 29.700 0.124 0.000 0.747 1279 E HN 0.453 nan 8.360 nan 0.000 0.491 1280 Q N -0.454 119.371 119.800 0.042 0.000 2.119 1280 Q HA -0.130 4.210 4.340 0.000 0.000 0.201 1280 Q C 1.573 177.578 176.000 0.009 0.000 0.972 1280 Q CA 1.445 57.265 55.803 0.028 0.000 0.847 1280 Q CB 0.019 28.773 28.738 0.028 0.000 0.903 1280 Q HN 0.283 nan 8.270 nan 0.000 0.433 1281 N N -0.002 118.702 118.700 0.006 0.000 2.300 1281 N HA -0.098 4.642 4.740 0.000 0.000 0.179 1281 N C 1.670 177.179 175.510 -0.000 0.000 1.016 1281 N CA 0.666 53.715 53.050 -0.001 0.000 0.876 1281 N CB -0.099 38.387 38.487 -0.002 0.000 0.979 1281 N HN 0.083 nan 8.380 nan 0.000 0.432 1282 R N 1.452 121.955 120.500 0.005 0.000 2.080 1282 R HA 0.076 4.417 4.340 0.000 0.000 0.236 1282 R C 2.225 178.527 176.300 0.004 0.000 1.137 1282 R CA 1.036 57.139 56.100 0.006 0.000 0.943 1282 R CB -0.687 29.622 30.300 0.015 0.000 0.846 1282 R HN 0.190 nan 8.270 nan 0.000 0.431 1283 I N -0.109 120.464 120.570 0.006 0.000 2.142 1283 I HA -0.277 3.893 4.170 0.000 0.000 0.240 1283 I C 2.020 178.129 176.117 -0.014 0.000 1.078 1283 I CA 0.933 62.230 61.300 -0.004 0.000 1.343 1283 I CB -0.389 37.610 38.000 -0.002 0.000 1.046 1283 I HN 0.194 nan 8.210 nan 0.000 0.405 1284 L N 0.789 122.003 121.223 -0.016 0.000 2.171 1284 L HA -0.319 4.021 4.340 0.000 0.000 0.216 1284 L C 2.426 179.286 176.870 -0.018 0.000 1.084 1284 L CA 1.959 56.784 54.840 -0.024 0.000 0.771 1284 L CB -0.717 41.329 42.059 -0.021 0.000 0.890 1284 L HN 0.310 nan 8.230 nan 0.000 0.437 1285 Q N -1.485 118.308 119.800 -0.011 0.000 2.187 1285 Q HA -0.093 4.247 4.340 0.000 0.000 0.199 1285 Q C 2.236 178.231 176.000 -0.008 0.000 0.957 1285 Q CA 1.200 56.998 55.803 -0.008 0.000 0.857 1285 Q CB -0.053 28.683 28.738 -0.005 0.000 0.929 1285 Q HN 0.545 nan 8.270 nan 0.000 0.453 1286 L N 0.456 121.672 121.223 -0.012 0.000 2.156 1286 L HA -0.155 4.185 4.340 0.000 0.000 0.208 1286 L C 1.758 178.621 176.870 -0.011 0.000 1.095 1286 L CA 0.621 55.452 54.840 -0.015 0.000 0.770 1286 L CB -0.393 41.652 42.059 -0.024 0.000 0.914 1286 L HN 0.215 nan 8.230 nan 0.000 0.439 1287 N N 0.425 119.117 118.700 -0.014 0.000 2.069 1287 N HA -0.203 4.537 4.740 0.000 0.000 0.191 1287 N C 1.627 177.142 175.510 0.008 0.000 1.031 1287 N CA 1.240 54.284 53.050 -0.010 0.000 0.852 1287 N CB -0.132 38.334 38.487 -0.035 0.000 1.018 1287 N HN 0.362 nan 8.380 nan 0.000 0.423 1288 Q N -0.949 118.853 119.800 0.004 0.000 2.466 1288 Q HA 0.140 4.480 4.340 0.000 0.000 0.210 1288 Q C 1.216 177.223 176.000 0.011 0.000 0.961 1288 Q CA 0.434 56.246 55.803 0.015 0.000 0.953 1288 Q CB 0.234 28.978 28.738 0.010 0.000 1.011 1288 Q HN 0.368 nan 8.270 nan 0.000 0.516 1289 G N 0.054 108.857 108.800 0.006 0.000 2.939 1289 G HA2 0.163 4.123 3.960 0.000 0.000 0.210 1289 G HA3 0.163 4.123 3.960 0.000 0.000 0.210 1289 G C 0.586 175.488 174.900 0.003 0.000 1.160 1289 G CA -0.052 45.048 45.100 0.001 0.000 0.770 1289 G HN 0.185 nan 8.290 nan 0.000 0.543 1290 L N 0.224 121.455 121.223 0.014 0.000 2.613 1290 L HA 0.341 4.681 4.340 0.000 0.000 0.275 1290 L C 0.621 177.513 176.870 0.038 0.000 1.453 1290 L CA -0.042 54.809 54.840 0.018 0.000 0.725 1290 L CB 1.139 43.214 42.059 0.027 0.000 1.013 1290 L HN 0.053 nan 8.230 nan 0.000 0.520 1291 Q N -0.170 119.650 119.800 0.033 0.000 2.247 1291 Q HA 0.246 4.586 4.340 0.000 0.000 0.211 1291 Q C 0.299 176.308 176.000 0.015 0.000 0.861 1291 Q CA 0.108 55.945 55.803 0.056 0.000 0.949 1291 Q CB 0.919 29.700 28.738 0.072 0.000 1.115 1291 Q HN 0.390 nan 8.270 nan 0.000 0.507 1292 N N 0.878 119.567 118.700 -0.019 0.000 2.735 1292 N HA 0.276 5.016 4.740 0.000 0.000 0.312 1292 N C -0.895 174.555 175.510 -0.100 0.000 1.843 1292 N CA 0.085 53.105 53.050 -0.049 0.000 0.945 1292 N CB 0.832 39.297 38.487 -0.037 0.000 1.299 1292 N HN 0.144 nan 8.380 nan 0.000 0.489 1293 I N -0.011 120.475 120.570 -0.139 0.000 2.918 1293 I HA 0.645 4.815 4.170 0.000 0.000 0.316 1293 I C 0.408 176.306 176.117 -0.365 0.000 1.001 1293 I CA -1.112 60.014 61.300 -0.291 0.000 1.142 1293 I CB 1.495 39.320 38.000 -0.293 0.000 1.356 1293 I HN 0.011 nan 8.210 nan 0.000 0.524 1294 A N 4.113 126.546 122.820 -0.645 0.000 2.651 1294 A HA 0.677 4.997 4.320 0.000 0.000 0.290 1294 A C -1.109 176.171 177.584 -0.506 0.000 1.185 1294 A CA -0.232 51.538 52.037 -0.444 0.000 0.746 1294 A CB 0.040 18.890 19.000 -0.251 0.000 1.213 1294 A HN 0.603 nan 8.150 nan 0.000 0.429 1295 F N 2.276 122.222 119.950 -0.006 0.000 2.810 1295 F HA 0.480 5.007 4.527 -0.000 0.000 0.373 1295 F C 1.336 177.129 175.800 -0.010 0.000 1.174 1295 F CA 0.174 58.171 58.000 -0.005 0.000 1.141 1295 F CB 1.816 40.814 39.000 -0.003 0.000 1.420 1295 F HN 0.941 nan 8.300 nan 0.000 0.518 1296 G N 1.963 110.863 108.800 0.166 0.000 5.186 1296 G HA2 -0.354 3.606 3.960 0.000 0.000 0.291 1296 G HA3 -0.354 3.606 3.960 0.000 0.000 0.291 1296 G C 1.029 175.959 174.900 0.050 0.000 1.394 1296 G CA 1.045 46.197 45.100 0.086 0.000 1.121 1296 G HN 0.471 nan 8.290 nan 0.000 0.802 1297 Q N -0.708 119.124 119.800 0.054 0.000 2.143 1297 Q HA 0.311 4.651 4.340 0.000 0.000 0.242 1297 Q C 0.779 176.788 176.000 0.015 0.000 0.790 1297 Q CA 0.430 56.244 55.803 0.018 0.000 0.954 1297 Q CB 1.387 30.131 28.738 0.011 0.000 1.155 1297 Q HN 0.520 nan 8.270 nan 0.000 0.474 1298 V N 3.100 123.055 119.914 0.069 0.000 2.390 1298 V HA 0.036 4.156 4.120 0.000 0.000 0.260 1298 V C 0.784 176.886 176.094 0.013 0.000 1.043 1298 V CA 0.591 62.941 62.300 0.082 0.000 1.047 1298 V CB 0.317 32.271 31.823 0.217 0.000 1.066 1298 V HN 0.018 nan 8.190 nan 0.000 0.481 1299 K N 3.379 123.750 120.400 -0.047 0.000 2.570 1299 K HA 0.506 4.826 4.320 0.000 0.000 0.210 1299 K C 0.428 176.988 176.600 -0.066 0.000 1.048 1299 K CA 0.287 56.520 56.287 -0.091 0.000 1.167 1299 K CB 0.691 33.121 32.500 -0.116 0.000 0.892 1299 K HN 0.906 nan 8.250 nan 0.000 0.480 1300 G N -1.247 107.556 108.800 0.005 0.000 2.358 1300 G HA2 0.357 4.317 3.960 0.000 0.000 0.301 1300 G HA3 0.357 4.317 3.960 0.000 0.000 0.301 1300 G C -1.784 173.233 174.900 0.195 0.000 1.539 1300 G CA -0.769 44.391 45.100 0.100 0.000 0.893 1300 G HN -0.082 nan 8.290 nan 0.000 0.636 1301 V N 0.012 120.055 119.914 0.216 0.000 3.181 1301 V HA 0.911 5.031 4.120 0.000 0.000 0.308 1301 V C 0.033 176.212 176.094 0.141 0.000 1.214 1301 V CA -1.013 61.397 62.300 0.182 0.000 1.053 1301 V CB 2.337 34.231 31.823 0.117 0.000 1.069 1301 V HN 1.125 nan 8.190 nan 0.000 0.441 1302 R N 0.699 121.236 120.500 0.063 0.000 2.907 1302 R HA 0.689 5.029 4.340 0.000 0.000 0.266 1302 R C -1.886 174.389 176.300 -0.042 0.000 1.031 1302 R CA -0.903 55.182 56.100 -0.026 0.000 0.904 1302 R CB 1.647 31.857 30.300 -0.149 0.000 1.358 1302 R HN 0.487 nan 8.270 nan 0.000 0.438 1303 L N 1.850 123.031 121.223 -0.070 0.000 2.420 1303 L HA 0.278 4.618 4.340 0.000 0.000 0.260 1303 L C -1.028 175.801 176.870 -0.069 0.000 1.508 1303 L CA -0.516 54.289 54.840 -0.058 0.000 0.835 1303 L CB 1.957 43.989 42.059 -0.044 0.000 1.018 1303 L HN 0.292 nan 8.230 nan 0.000 0.520 1304 V N 1.955 121.816 119.914 -0.088 0.000 2.529 1304 V HA 0.049 4.169 4.120 0.000 0.000 0.292 1304 V C 0.539 176.598 176.094 -0.057 0.000 1.028 1304 V CA -0.210 62.035 62.300 -0.091 0.000 1.074 1304 V CB 1.221 32.974 31.823 -0.116 0.000 0.958 1304 V HN 0.261 nan 8.190 nan 0.000 0.481 1305 V N 5.607 125.495 119.914 -0.045 0.000 2.348 1305 V HA 0.381 4.501 4.120 0.000 0.000 0.270 1305 V C 0.175 176.258 176.094 -0.018 0.000 1.037 1305 V CA -0.746 61.540 62.300 -0.023 0.000 0.872 1305 V CB 0.552 32.373 31.823 -0.003 0.000 1.002 1305 V HN 0.832 nan 8.190 nan 0.000 0.464 1306 N N 4.097 122.786 118.700 -0.018 0.000 2.456 1306 N HA 0.573 5.313 4.740 0.000 0.000 0.296 1306 N C -0.501 175.008 175.510 -0.001 0.000 1.102 1306 N CA -0.545 52.498 53.050 -0.012 0.000 0.924 1306 N CB 2.595 41.071 38.487 -0.017 0.000 1.186 1306 N HN 0.554 nan 8.380 nan 0.000 0.492 1307 I N 1.696 122.271 120.570 0.009 0.000 2.282 1307 I HA 0.220 4.390 4.170 0.000 0.000 0.290 1307 I C 0.679 176.802 176.117 0.010 0.000 1.090 1307 I CA -0.546 60.767 61.300 0.022 0.000 1.231 1307 I CB 0.229 38.250 38.000 0.035 0.000 1.434 1307 I HN 0.170 nan 8.210 nan 0.000 0.487 1308 R N 4.819 125.315 120.500 -0.006 0.000 3.411 1308 R HA -0.165 4.175 4.340 0.000 0.000 0.241 1308 R C 0.740 177.076 176.300 0.060 0.000 0.689 1308 R CA 0.087 56.196 56.100 0.015 0.000 1.022 1308 R CB 0.079 30.360 30.300 -0.032 0.000 0.958 1308 R HN 0.594 nan 8.270 nan 0.000 0.361 1309 D N 2.303 122.726 120.400 0.038 0.000 2.192 1309 D HA -0.242 4.399 4.640 0.000 0.000 0.189 1309 D C 1.432 177.751 176.300 0.031 0.000 1.007 1309 D CA 2.350 56.363 54.000 0.022 0.000 0.859 1309 D CB -0.165 40.640 40.800 0.008 0.000 0.936 1309 D HN 0.582 nan 8.370 nan 0.000 0.447 1310 T N 0.632 115.231 114.554 0.074 0.000 2.580 1310 T HA -0.200 4.150 4.350 0.000 0.000 0.265 1310 T C 1.710 176.435 174.700 0.041 0.000 1.063 1310 T CA 1.805 63.935 62.100 0.049 0.000 1.170 1310 T CB -0.689 68.253 68.868 0.123 0.000 0.863 1310 T HN 0.322 nan 8.240 nan 0.000 0.418 1311 H N 0.166 119.213 119.070 -0.039 0.000 2.546 1311 H HA 0.231 4.787 4.556 0.000 0.000 0.277 1311 H C 2.431 177.577 175.328 -0.304 0.000 1.004 1311 H CA 0.761 56.647 56.048 -0.270 0.000 1.231 1311 H CB -0.281 29.168 29.762 -0.521 0.000 1.382 1311 H HN 0.273 nan 8.280 nan 0.000 0.580 1312 S N -0.243 115.437 115.700 -0.033 0.000 2.414 1312 S HA -0.052 4.418 4.470 0.000 0.000 0.227 1312 S C 1.966 176.537 174.600 -0.048 0.000 1.022 1312 S CA 0.350 58.526 58.200 -0.041 0.000 0.958 1312 S CB -0.051 63.143 63.200 -0.009 0.000 0.797 1312 S HN 0.190 nan 8.310 nan 0.000 0.493 1313 I N 2.005 122.547 120.570 -0.047 0.000 2.090 1313 I HA -0.137 4.033 4.170 0.000 0.000 0.236 1313 I C 2.418 178.502 176.117 -0.056 0.000 1.064 1313 I CA 1.269 62.539 61.300 -0.051 0.000 1.324 1313 I CB -1.562 36.400 38.000 -0.063 0.000 1.044 1313 I HN 0.380 nan 8.210 nan 0.000 0.399 1314 L N 0.463 121.648 121.223 -0.065 0.000 2.013 1314 L HA -0.240 4.100 4.340 0.000 0.000 0.212 1314 L C 2.577 179.406 176.870 -0.068 0.000 1.073 1314 L CA 1.496 56.300 54.840 -0.059 0.000 0.753 1314 L CB -0.253 41.770 42.059 -0.061 0.000 0.890 1314 L HN 0.177 nan 8.230 nan 0.000 0.432 1315 L N -0.168 120.989 121.223 -0.110 0.000 2.261 1315 L HA -0.267 4.073 4.340 0.000 0.000 0.216 1315 L C 2.217 179.080 176.870 -0.011 0.000 1.114 1315 L CA 1.668 56.479 54.840 -0.049 0.000 0.777 1315 L CB -0.584 41.441 42.059 -0.057 0.000 0.910 1315 L HN 0.502 nan 8.230 nan 0.000 0.440 1316 N N -0.745 117.939 118.700 -0.027 0.000 2.387 1316 N HA -0.068 4.672 4.740 0.000 0.000 0.176 1316 N C 1.994 177.487 175.510 -0.028 0.000 1.022 1316 N CA 0.718 53.755 53.050 -0.021 0.000 0.883 1316 N CB 0.145 38.617 38.487 -0.026 0.000 1.019 1316 N HN 0.245 nan 8.380 nan 0.000 0.435 1317 A N 1.597 124.397 122.820 -0.034 0.000 1.908 1317 A HA -0.075 4.245 4.320 0.000 0.000 0.218 1317 A C 1.771 179.337 177.584 -0.030 0.000 1.181 1317 A CA 0.947 52.960 52.037 -0.040 0.000 0.627 1317 A CB -0.738 18.240 19.000 -0.036 0.000 0.818 1317 A HN 0.333 nan 8.150 nan 0.000 0.445 1318 L N -0.108 121.111 121.223 -0.006 0.000 2.713 1318 L HA 0.066 4.406 4.340 0.000 0.000 0.245 1318 L C 1.328 178.211 176.870 0.021 0.000 1.169 1318 L CA 0.241 55.094 54.840 0.020 0.000 0.962 1318 L CB -0.175 41.914 42.059 0.049 0.000 1.161 1318 L HN 0.298 nan 8.230 nan 0.000 0.427 1319 S N -1.706 113.992 115.700 -0.004 0.000 2.727 1319 S HA 0.103 4.573 4.470 0.000 0.000 0.249 1319 S C 0.766 175.348 174.600 -0.029 0.000 1.079 1319 S CA -0.260 57.939 58.200 -0.003 0.000 0.912 1319 S CB 0.730 63.931 63.200 0.002 0.000 0.861 1319 S HN 0.393 nan 8.310 nan 0.000 0.484 1320 D N 1.066 121.427 120.400 -0.066 0.000 3.203 1320 D HA 0.157 4.797 4.640 0.000 0.000 0.249 1320 D C 0.255 176.396 176.300 -0.265 0.000 1.522 1320 D CA 0.098 54.026 54.000 -0.120 0.000 1.248 1320 D CB -0.540 40.202 40.800 -0.097 0.000 1.126 1320 D HN 0.202 nan 8.370 nan 0.000 0.326 1321 Q N 0.656 120.293 119.800 -0.271 0.000 2.469 1321 Q HA -0.044 4.296 4.340 0.000 0.000 0.317 1321 Q C -0.608 175.148 176.000 -0.407 0.000 1.224 1321 Q CA 0.967 56.534 55.803 -0.394 0.000 1.014 1321 Q CB 0.043 28.695 28.738 -0.143 0.000 1.297 1321 Q HN 0.393 nan 8.270 nan 0.000 0.456 1322 H N -0.528 118.560 119.070 0.029 0.000 2.645 1322 H HA 0.349 4.905 4.556 0.000 0.000 0.257 1322 H C -1.212 174.150 175.328 0.057 0.000 1.269 1322 H CA -0.578 55.495 56.048 0.041 0.000 1.409 1322 H CB 0.086 29.870 29.762 0.037 0.000 1.434 1322 H HN 0.417 nan 8.280 nan 0.000 0.505 1323 E N 2.688 122.983 120.200 0.160 0.000 2.267 1323 E HA 0.149 4.499 4.350 0.000 0.000 0.241 1323 E C -0.526 176.222 176.600 0.246 0.000 0.950 1323 E CA -0.532 55.969 56.400 0.169 0.000 0.776 1323 E CB 0.932 30.666 29.700 0.058 0.000 1.207 1323 E HN 0.558 nan 8.360 nan 0.000 0.436 1324 Q N 2.335 122.286 119.800 0.252 0.000 2.296 1324 Q HA 0.223 4.563 4.340 0.000 0.000 0.263 1324 Q C -0.557 175.570 176.000 0.212 0.000 1.026 1324 Q CA 0.362 56.285 55.803 0.200 0.000 0.912 1324 Q CB 0.485 29.280 28.738 0.095 0.000 1.198 1324 Q HN 0.451 nan 8.270 nan 0.000 0.407 1333 K N 1.888 122.312 120.400 0.039 0.000 2.408 1333 K HA 0.264 4.584 4.320 0.000 0.000 0.231 1333 K C -1.206 175.423 176.600 0.048 0.000 1.261 1333 K CA 0.250 56.561 56.287 0.040 0.000 1.193 1333 K CB -0.741 31.777 32.500 0.030 0.000 1.431 1333 K HN 0.408 nan 8.250 nan 0.000 0.243 1334 L N 1.531 122.791 121.223 0.062 0.000 2.555 1334 L HA 0.249 4.589 4.340 0.000 0.000 0.264 1334 L C -0.883 176.036 176.870 0.082 0.000 0.972 1334 L CA -0.427 54.452 54.840 0.065 0.000 0.876 1334 L CB 1.792 43.894 42.059 0.071 0.000 1.216 1334 L HN 0.184 nan 8.230 nan 0.000 0.415 1335 S N 2.945 118.692 115.700 0.078 0.000 2.553 1335 S HA -0.068 4.402 4.470 0.000 0.000 0.293 1335 S C 0.707 175.391 174.600 0.139 0.000 1.296 1335 S CA 0.246 58.513 58.200 0.112 0.000 1.046 1335 S CB 0.353 63.608 63.200 0.091 0.000 0.810 1335 S HN 0.663 nan 8.310 nan 0.000 0.505 1336 F N 2.808 122.798 119.950 0.066 0.000 2.102 1336 F HA -0.125 4.402 4.527 0.000 0.000 0.298 1336 F C 2.646 178.493 175.800 0.079 0.000 1.105 1336 F CA 2.020 60.071 58.000 0.085 0.000 1.239 1336 F CB -0.835 38.233 39.000 0.113 0.000 0.991 1336 F HN 0.606 nan 8.300 nan 0.000 0.474 1337 S N -0.261 115.539 115.700 0.167 0.000 2.374 1337 S HA -0.324 4.146 4.470 0.000 0.000 0.227 1337 S C 2.146 176.703 174.600 -0.071 0.000 1.037 1337 S CA 1.870 60.095 58.200 0.042 0.000 1.024 1337 S CB -0.683 62.587 63.200 0.116 0.000 0.861 1337 S HN 0.695 nan 8.310 nan 0.000 0.456 1338 E N -0.048 120.135 120.200 -0.029 0.000 2.216 1338 E HA 0.018 4.368 4.350 0.000 0.000 0.192 1338 E C 2.020 178.572 176.600 -0.081 0.000 0.988 1338 E CA 0.671 57.050 56.400 -0.035 0.000 0.834 1338 E CB -0.327 29.377 29.700 0.006 0.000 0.772 1338 E HN 0.588 nan 8.360 nan 0.000 0.479 1339 A N 1.718 124.459 122.820 -0.133 0.000 1.837 1339 A HA -0.240 4.080 4.320 0.000 0.000 0.216 1339 A C 2.131 179.595 177.584 -0.199 0.000 1.210 1339 A CA 1.759 53.700 52.037 -0.161 0.000 0.632 1339 A CB -1.147 17.716 19.000 -0.230 0.000 0.843 1339 A HN 0.329 nan 8.150 nan 0.000 0.448 1340 L N -0.917 120.112 121.223 -0.324 0.000 2.026 1340 L HA -0.389 3.951 4.340 0.000 0.000 0.231 1340 L C 3.060 179.852 176.870 -0.130 0.000 1.095 1340 L CA 1.892 56.589 54.840 -0.239 0.000 0.810 1340 L CB -1.164 40.726 42.059 -0.281 0.000 0.909 1340 L HN 0.560 nan 8.230 nan 0.000 0.444 1341 A N -0.114 122.637 122.820 -0.115 0.000 1.883 1341 A HA -0.371 3.949 4.320 0.000 0.000 0.222 1341 A C 2.257 179.849 177.584 0.013 0.000 1.339 1341 A CA 2.908 54.924 52.037 -0.034 0.000 0.692 1341 A CB -0.771 18.211 19.000 -0.029 0.000 0.845 1341 A HN 0.459 nan 8.150 nan 0.000 0.467 1342 M N -0.858 118.723 119.600 -0.032 0.000 2.103 1342 M HA -0.210 4.270 4.480 0.000 0.000 0.255 1342 M C 2.311 178.578 176.300 -0.055 0.000 1.074 1342 M CA 1.979 57.252 55.300 -0.045 0.000 1.090 1342 M CB -1.738 30.816 32.600 -0.078 0.000 1.325 1342 M HN 0.606 nan 8.290 nan 0.000 0.403 1343 L N -0.980 120.198 121.223 -0.076 0.000 1.990 1343 L HA -0.303 4.037 4.340 0.000 0.000 0.213 1343 L C 2.639 179.509 176.870 -0.001 0.000 1.072 1343 L CA 1.843 56.641 54.840 -0.070 0.000 0.755 1343 L CB -0.665 41.352 42.059 -0.070 0.000 0.889 1343 L HN 0.186 nan 8.230 nan 0.000 0.432 1344 Y N 0.881 121.106 120.300 -0.125 0.000 2.193 1344 Y HA -0.332 4.218 4.550 0.000 0.000 0.285 1344 Y C 2.602 178.443 175.900 -0.098 0.000 1.166 1344 Y CA 1.963 59.985 58.100 -0.130 0.000 1.181 1344 Y CB -0.197 38.180 38.460 -0.138 0.000 0.976 1344 Y HN 0.164 nan 8.280 nan 0.000 0.520 1345 K N -0.352 120.047 120.400 -0.002 0.000 2.025 1345 K HA -0.189 4.131 4.320 0.000 0.000 0.207 1345 K C 2.208 178.752 176.600 -0.094 0.000 1.049 1345 K CA 1.300 57.548 56.287 -0.066 0.000 0.933 1345 K CB -0.264 32.221 32.500 -0.026 0.000 0.714 1345 K HN 0.167 nan 8.250 nan 0.000 0.438 1346 R N 0.868 121.321 120.500 -0.078 0.000 2.377 1346 R HA -0.047 4.293 4.340 0.000 0.000 0.207 1346 R C 1.218 177.464 176.300 -0.089 0.000 1.075 1346 R CA 0.439 56.494 56.100 -0.074 0.000 1.035 1346 R CB 0.011 30.269 30.300 -0.071 0.000 0.857 1346 R HN 0.183 nan 8.270 nan 0.000 0.475 1347 I N -1.225 119.266 120.570 -0.133 0.000 5.802 1347 I HA 0.035 4.205 4.170 0.000 0.000 0.233 1347 I C 0.538 176.539 176.117 -0.193 0.000 0.873 1347 I CA -0.659 60.544 61.300 -0.162 0.000 1.955 1347 I CB -0.251 37.626 38.000 -0.204 0.000 1.439 1347 I HN -0.006 nan 8.210 nan 0.000 0.475 1348 N N 1.570 120.084 118.700 -0.310 0.000 2.483 1348 N HA 0.281 5.021 4.740 0.000 0.000 0.269 1348 N C -2.288 173.099 175.510 -0.204 0.000 1.209 1348 N CA -0.848 52.041 53.050 -0.268 0.000 0.969 1348 N CB 0.406 38.691 38.487 -0.336 0.000 1.173 1348 N HN 0.023 nan 8.380 nan 0.000 0.475 1349 P HA -0.015 nan 4.420 nan 0.000 0.271 1349 P C 0.233 177.561 177.300 0.047 0.000 1.238 1349 P CA 0.574 63.651 63.100 -0.038 0.000 0.794 1349 P CB 0.298 31.988 31.700 -0.017 0.000 0.959 1358 P HA -0.165 nan 4.420 nan 0.000 0.213 1358 P C 1.357 178.658 177.300 0.002 0.000 1.170 1358 P CA 1.659 64.763 63.100 0.007 0.000 0.898 1358 P CB -0.109 31.594 31.700 0.005 0.000 0.787 1359 Q N -0.739 119.068 119.800 0.010 0.000 2.364 1359 Q HA -0.069 4.271 4.340 0.000 0.000 0.207 1359 Q C 1.699 177.707 176.000 0.014 0.000 0.970 1359 Q CA 1.316 57.129 55.803 0.016 0.000 0.888 1359 Q CB -0.380 28.377 28.738 0.031 0.000 0.951 1359 Q HN 0.215 nan 8.270 nan 0.000 0.469 1360 T N 0.193 114.755 114.554 0.013 0.000 3.055 1360 T HA 0.027 4.377 4.350 0.000 0.000 0.265 1360 T C 1.549 176.251 174.700 0.002 0.000 1.111 1360 T CA 0.477 62.585 62.100 0.013 0.000 1.118 1360 T CB 0.109 68.988 68.868 0.019 0.000 0.909 1360 T HN 0.260 nan 8.240 nan 0.000 0.501 1361 I N 0.980 121.546 120.570 -0.006 0.000 2.296 1361 I HA 0.065 4.235 4.170 0.000 0.000 0.242 1361 I C 2.950 179.025 176.117 -0.071 0.000 1.087 1361 I CA 0.914 62.194 61.300 -0.033 0.000 1.393 1361 I CB -0.713 37.272 38.000 -0.025 0.000 1.093 1361 I HN 0.253 nan 8.210 nan 0.000 0.421 1362 G N 0.490 109.247 108.800 -0.072 0.000 2.450 1362 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 1362 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 1362 G C 1.521 176.384 174.900 -0.061 0.000 1.130 1362 G CA 0.953 45.993 45.100 -0.100 0.000 0.760 1362 G HN 0.464 nan 8.290 nan 0.000 0.557 1363 E N 0.464 120.650 120.200 -0.022 0.000 2.051 1363 E HA -0.165 4.185 4.350 0.000 0.000 0.192 1363 E C 2.300 178.872 176.600 -0.046 0.000 0.991 1363 E CA 1.256 57.650 56.400 -0.010 0.000 0.799 1363 E CB -0.164 29.541 29.700 0.008 0.000 0.748 1363 E HN 0.613 nan 8.360 nan 0.000 0.449 1364 E N 0.308 120.480 120.200 -0.047 0.000 2.110 1364 E HA -0.152 4.198 4.350 0.000 0.000 0.193 1364 E C 1.793 178.347 176.600 -0.077 0.000 0.988 1364 E CA 0.776 57.144 56.400 -0.054 0.000 0.804 1364 E CB -0.093 29.589 29.700 -0.030 0.000 0.745 1364 E HN 0.359 nan 8.360 nan 0.000 0.458 1365 L N 1.225 122.403 121.223 -0.074 0.000 2.713 1365 L HA 0.012 4.352 4.340 0.000 0.000 0.245 1365 L C 1.289 178.061 176.870 -0.163 0.000 1.169 1365 L CA 0.166 54.989 54.840 -0.029 0.000 0.962 1365 L CB -0.056 41.980 42.059 -0.038 0.000 1.161 1365 L HN 0.160 nan 8.230 nan 0.000 0.427 1366 L N -1.789 119.290 121.223 -0.240 0.000 3.128 1366 L HA 0.189 4.529 4.340 0.000 0.000 0.277 1366 L C 0.316 177.039 176.870 -0.246 0.000 1.171 1366 L CA 0.019 54.656 54.840 -0.338 0.000 1.008 1366 L CB 0.520 42.348 42.059 -0.385 0.000 1.442 1366 L HN 0.014 nan 8.230 nan 0.000 0.584 1367 D N 0.344 120.619 120.400 -0.209 0.000 2.767 1367 D HA 0.033 4.673 4.640 0.000 0.000 0.241 1367 D C 1.500 177.644 176.300 -0.259 0.000 1.187 1367 D CA -0.528 53.395 54.000 -0.128 0.000 0.999 1367 D CB 0.159 40.889 40.800 -0.116 0.000 1.042 1367 D HN 0.252 nan 8.370 nan 0.000 0.510 1368 Y N 2.727 122.762 120.300 -0.442 0.000 2.226 1368 Y HA -0.478 4.072 4.550 0.000 0.000 0.259 1368 Y C 2.126 177.799 175.900 -0.379 0.000 1.310 1368 Y CA 2.547 60.310 58.100 -0.563 0.000 1.067 1368 Y CB -1.200 37.081 38.460 -0.299 0.000 0.876 1368 Y HN 0.348 nan 8.280 nan 0.000 0.519 1369 R N 0.826 120.415 120.500 -1.519 0.000 2.198 1369 R HA -0.276 4.064 4.340 0.000 0.000 0.258 1369 R C 1.100 177.108 176.300 -0.486 0.000 1.173 1369 R CA 2.184 57.630 56.100 -1.091 0.000 0.991 1369 R CB -1.231 28.598 30.300 -0.786 0.000 0.879 1369 R HN 0.585 nan 8.270 nan 0.000 0.460 1370 N N -0.411 118.064 118.700 -0.375 0.000 2.449 1370 N HA -0.062 4.678 4.740 0.000 0.000 0.191 1370 N C 0.191 175.608 175.510 -0.155 0.000 1.161 1370 N CA 0.591 53.511 53.050 -0.217 0.000 0.863 1370 N CB 0.111 38.520 38.487 -0.130 0.000 0.980 1370 N HN 0.359 nan 8.380 nan 0.000 0.458 1371 Y N 0.071 120.178 120.300 -0.322 0.000 2.462 1371 Y HA 0.296 4.846 4.550 0.000 0.000 0.253 1371 Y C 0.398 176.181 175.900 -0.196 0.000 1.095 1371 Y CA -0.568 57.375 58.100 -0.262 0.000 1.283 1371 Y CB 0.345 38.778 38.460 -0.045 0.000 1.138 1371 Y HN -0.116 nan 8.280 nan 0.000 0.522 1372 L N 0.537 121.737 121.223 -0.038 0.000 2.322 1372 L HA 0.411 4.751 4.340 0.000 0.000 0.279 1372 L C -0.862 175.957 176.870 -0.084 0.000 1.036 1372 L CA -0.372 54.439 54.840 -0.048 0.000 0.807 1372 L CB 1.276 43.303 42.059 -0.052 0.000 1.226 1372 L HN -0.147 nan 8.230 nan 0.000 0.433 1373 D N 1.904 122.271 120.400 -0.055 0.000 2.386 1373 D HA 0.465 5.105 4.640 0.000 0.000 0.247 1373 D C -0.148 176.130 176.300 -0.037 0.000 1.336 1373 D CA -0.323 53.646 54.000 -0.053 0.000 0.976 1373 D CB 1.107 41.877 40.800 -0.051 0.000 1.257 1373 D HN 0.249 nan 8.370 nan 0.000 0.570 1374 L N 1.109 122.311 121.223 -0.035 0.000 2.420 1374 L HA 0.465 4.805 4.340 0.000 0.000 0.198 1374 L C 0.457 177.309 176.870 -0.030 0.000 1.165 1374 L CA 0.106 54.928 54.840 -0.030 0.000 0.863 1374 L CB 0.383 42.427 42.059 -0.025 0.000 1.371 1374 L HN 0.440 nan 8.230 nan 0.000 0.536 1375 E N -0.916 119.264 120.200 -0.032 0.000 3.097 1375 E HA 0.200 4.550 4.350 0.000 0.000 0.325 1375 E C -2.092 174.488 176.600 -0.033 0.000 1.093 1375 E CA -0.423 55.958 56.400 -0.031 0.000 0.893 1375 E CB 1.253 30.935 29.700 -0.030 0.000 1.209 1375 E HN 0.177 nan 8.360 nan 0.000 0.462 1376 V N 3.555 123.453 119.914 -0.027 0.000 2.370 1376 V HA 0.451 4.571 4.120 0.000 0.000 0.283 1376 V C 0.138 176.235 176.094 0.005 0.000 1.023 1376 V CA -0.500 61.789 62.300 -0.019 0.000 0.857 1376 V CB 1.236 33.044 31.823 -0.024 0.000 0.985 1376 V HN 0.613 nan 8.190 nan 0.000 0.443 1377 E N 2.191 122.406 120.200 0.025 0.000 2.285 1377 E HA 0.763 5.113 4.350 0.000 0.000 0.254 1377 E C -0.137 176.563 176.600 0.167 0.000 1.011 1377 E CA -0.617 55.835 56.400 0.088 0.000 0.873 1377 E CB 2.155 31.908 29.700 0.089 0.000 1.229 1377 E HN 0.857 nan 8.360 nan 0.000 0.422 1378 T N -1.854 112.849 114.554 0.247 0.000 2.645 1378 T HA 0.666 5.016 4.350 0.000 0.000 0.273 1378 T C -1.290 173.577 174.700 0.279 0.000 0.960 1378 T CA -0.862 61.383 62.100 0.241 0.000 1.051 1378 T CB 0.859 69.799 68.868 0.120 0.000 1.366 1378 T HN 0.231 nan 8.240 nan 0.000 0.536 1379 L N 0.742 121.993 121.223 0.047 0.000 2.611 1379 L HA 0.602 4.942 4.340 0.000 0.000 0.263 1379 L C -1.006 175.763 176.870 -0.169 0.000 0.969 1379 L CA -0.383 54.312 54.840 -0.241 0.000 0.894 1379 L CB 1.274 43.018 42.059 -0.524 0.000 1.229 1379 L HN 0.813 nan 8.230 nan 0.000 0.416 1380 R N 2.262 122.678 120.500 -0.139 0.000 2.892 1380 R HA 0.663 5.003 4.340 0.000 0.000 0.265 1380 R C 0.999 177.242 176.300 -0.095 0.000 1.025 1380 R CA -0.546 55.505 56.100 -0.082 0.000 0.982 1380 R CB 0.952 31.238 30.300 -0.023 0.000 1.185 1380 R HN 0.581 nan 8.270 nan 0.000 0.484 1381 G N 0.604 109.365 108.800 -0.065 0.000 2.485 1381 G HA2 -0.236 3.724 3.960 0.000 0.000 0.221 1381 G HA3 -0.236 3.724 3.960 0.000 0.000 0.221 1381 G C 0.839 175.715 174.900 -0.041 0.000 1.115 1381 G CA 1.074 46.137 45.100 -0.062 0.000 0.751 1381 G HN 0.656 nan 8.290 nan 0.000 0.567 1382 A N 0.089 122.909 122.820 0.000 0.000 3.141 1382 A HA 0.344 4.664 4.320 0.000 0.000 0.158 1382 A C 1.608 179.238 177.584 0.076 0.000 1.606 1382 A CA 0.792 52.864 52.037 0.059 0.000 1.052 1382 A CB -0.805 18.278 19.000 0.138 0.000 1.645 1382 A HN 0.224 nan 8.150 nan 0.000 0.778 1383 Y N -0.496 119.782 120.300 -0.037 0.000 2.073 1383 Y HA -0.173 4.376 4.550 -0.000 0.000 0.270 1383 Y C 2.322 178.188 175.900 -0.058 0.000 1.226 1383 Y CA 2.487 60.574 58.100 -0.022 0.000 1.117 1383 Y CB -0.771 37.694 38.460 0.009 0.000 0.939 1383 Y HN 1.004 nan 8.280 nan 0.000 0.504 1384 G N -3.019 105.816 108.800 0.058 0.000 3.178 1384 G HA2 -0.252 3.708 3.960 0.000 0.000 0.200 1384 G HA3 -0.252 3.708 3.960 0.000 0.000 0.200 1384 G C -0.372 174.378 174.900 -0.250 0.000 1.831 1384 G CA -0.138 44.838 45.100 -0.207 0.000 1.470 1384 G HN 0.254 nan 8.290 nan 0.000 0.591 1385 W N 2.179 123.534 121.300 0.091 0.000 2.347 1385 W HA 0.829 5.489 4.660 0.000 0.000 0.321 1385 W C 0.146 176.702 176.519 0.062 0.000 0.971 1385 W CA -0.965 56.416 57.345 0.061 0.000 1.508 1385 W CB 0.992 30.480 29.460 0.046 0.000 1.299 1385 W HN 0.024 nan 8.180 nan 0.000 0.399 1386 M N 2.402 122.150 119.600 0.247 0.000 2.508 1386 M HA 0.412 4.892 4.480 0.000 0.000 0.327 1386 M C 0.659 177.013 176.300 0.089 0.000 1.160 1386 M CA -1.064 54.294 55.300 0.096 0.000 0.980 1386 M CB 1.838 34.414 32.600 -0.041 0.000 1.693 1386 M HN 0.405 nan 8.290 nan 0.000 0.452 1387 R N 1.097 121.619 120.500 0.037 0.000 2.944 1387 R HA 0.344 4.684 4.340 0.000 0.000 0.279 1387 R C -0.459 175.850 176.300 0.016 0.000 1.048 1387 R CA 0.084 56.199 56.100 0.025 0.000 1.196 1387 R CB 0.509 30.808 30.300 -0.002 0.000 1.134 1387 R HN 0.796 nan 8.270 nan 0.000 0.525 1388 A N 2.295 125.120 122.820 0.009 0.000 2.269 1388 A HA 0.242 4.562 4.320 0.000 0.000 0.302 1388 A C -0.832 176.741 177.584 -0.019 0.000 1.266 1388 A CA -0.294 51.744 52.037 0.001 0.000 0.894 1388 A CB 0.791 19.790 19.000 -0.000 0.000 1.147 1388 A HN 0.646 nan 8.150 nan 0.000 0.537 1389 E N 1.754 121.939 120.200 -0.025 0.000 2.263 1389 E HA 0.464 4.814 4.350 0.000 0.000 0.268 1389 E C 0.529 177.109 176.600 -0.033 0.000 0.884 1389 E CA -0.343 56.038 56.400 -0.032 0.000 0.766 1389 E CB 1.529 31.206 29.700 -0.039 0.000 1.196 1389 E HN 0.403 nan 8.360 nan 0.000 0.416 1390 S N 1.437 117.117 115.700 -0.034 0.000 2.370 1390 S HA -0.122 4.348 4.470 0.000 0.000 0.226 1390 S C 1.163 175.745 174.600 -0.031 0.000 1.033 1390 S CA 1.414 59.594 58.200 -0.034 0.000 1.011 1390 S CB -0.052 63.127 63.200 -0.034 0.000 0.852 1390 S HN 0.497 nan 8.310 nan 0.000 0.457 1391 S N 0.835 116.517 115.700 -0.030 0.000 2.906 1391 S HA 0.445 4.916 4.470 0.000 0.000 0.234 1391 S C 0.941 175.523 174.600 -0.031 0.000 0.973 1391 S CA 0.389 58.572 58.200 -0.028 0.000 1.036 1391 S CB -0.066 63.119 63.200 -0.026 0.000 0.798 1391 S HN 0.566 nan 8.310 nan 0.000 0.498 1392 A N 0.464 123.265 122.820 -0.032 0.000 2.733 1392 A HA 0.489 4.809 4.320 0.000 0.000 0.232 1392 A C -0.000 177.568 177.584 -0.027 0.000 1.251 1392 A CA -0.228 51.788 52.037 -0.035 0.000 1.015 1392 A CB 0.661 19.631 19.000 -0.051 0.000 1.291 1392 A HN 0.399 nan 8.150 nan 0.000 0.595 1393 L N 1.254 122.463 121.223 -0.024 0.000 2.410 1393 L HA 0.481 4.821 4.340 0.000 0.000 0.270 1393 L C 0.421 177.278 176.870 -0.022 0.000 0.983 1393 L CA -0.790 54.038 54.840 -0.019 0.000 0.822 1393 L CB 2.156 44.203 42.059 -0.020 0.000 1.285 1393 L HN 0.280 nan 8.230 nan 0.000 0.409 1394 S N 0.943 116.633 115.700 -0.016 0.000 2.579 1394 S HA 0.092 4.562 4.470 0.000 0.000 0.275 1394 S C 1.219 175.800 174.600 -0.031 0.000 1.345 1394 S CA 0.187 58.377 58.200 -0.018 0.000 1.031 1394 S CB 1.169 64.364 63.200 -0.008 0.000 0.892 1394 S HN 0.715 nan 8.310 nan 0.000 0.529 1395 T N 3.724 118.259 114.554 -0.033 0.000 2.567 1395 T HA -0.219 4.131 4.350 0.000 0.000 0.261 1395 T C 1.954 176.614 174.700 -0.066 0.000 1.123 1395 T CA 2.248 64.321 62.100 -0.045 0.000 1.166 1395 T CB -1.614 67.233 68.868 -0.035 0.000 0.860 1395 T HN 0.947 nan 8.240 nan 0.000 0.436 1396 G N 1.362 110.129 108.800 -0.054 0.000 2.545 1396 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 1396 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 1396 G C 1.380 176.196 174.900 -0.140 0.000 1.218 1396 G CA 1.261 46.313 45.100 -0.079 0.000 0.787 1396 G HN 0.666 nan 8.290 nan 0.000 0.571 1397 E N 0.762 120.924 120.200 -0.063 0.000 2.108 1397 E HA -0.271 4.079 4.350 0.000 0.000 0.203 1397 E C 2.889 179.411 176.600 -0.129 0.000 1.022 1397 E CA 1.150 57.525 56.400 -0.042 0.000 0.823 1397 E CB -0.353 29.352 29.700 0.008 0.000 0.744 1397 E HN 0.441 nan 8.360 nan 0.000 0.456 1398 A N 1.467 124.220 122.820 -0.113 0.000 1.845 1398 A HA -0.185 4.135 4.320 0.000 0.000 0.215 1398 A C 2.281 179.754 177.584 -0.186 0.000 1.195 1398 A CA 1.401 53.367 52.037 -0.119 0.000 0.616 1398 A CB -0.781 18.168 19.000 -0.084 0.000 0.832 1398 A HN 0.164 nan 8.150 nan 0.000 0.443 1399 I N -0.160 120.289 120.570 -0.202 0.000 2.143 1399 I HA -0.336 3.834 4.170 0.000 0.000 0.245 1399 I C 2.685 178.585 176.117 -0.362 0.000 1.068 1399 I CA 1.485 62.648 61.300 -0.227 0.000 1.326 1399 I CB -0.848 37.034 38.000 -0.196 0.000 1.028 1399 I HN 0.443 nan 8.210 nan 0.000 0.412 1400 G N -0.023 108.374 108.800 -0.671 0.000 2.421 1400 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 1400 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 1400 G C 1.585 176.188 174.900 -0.495 0.000 1.171 1400 G CA 1.402 45.761 45.100 -1.234 0.000 0.775 1400 G HN 0.302 nan 8.290 nan 0.000 0.543 1401 T N 1.136 115.517 114.554 -0.288 0.000 2.570 1401 T HA -0.158 4.192 4.350 0.000 0.000 0.266 1401 T C 2.466 177.114 174.700 -0.087 0.000 1.071 1401 T CA 1.904 63.957 62.100 -0.078 0.000 1.172 1401 T CB -0.934 67.901 68.868 -0.055 0.000 0.864 1401 T HN 0.381 nan 8.240 nan 0.000 0.421 1402 G N 0.389 109.115 108.800 -0.124 0.000 2.479 1402 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 1402 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 1402 G C 1.509 176.326 174.900 -0.138 0.000 1.115 1402 G CA 1.029 46.052 45.100 -0.127 0.000 0.757 1402 G HN 0.325 nan 8.290 nan 0.000 0.560 1403 M N 1.959 121.473 119.600 -0.142 0.000 2.099 1403 M HA -0.040 4.440 4.480 0.000 0.000 0.262 1403 M C 2.884 179.136 176.300 -0.079 0.000 1.067 1403 M CA 1.921 57.146 55.300 -0.125 0.000 1.124 1403 M CB -0.309 32.212 32.600 -0.130 0.000 1.353 1403 M HN 0.274 nan 8.290 nan 0.000 0.410 1404 S N 0.184 115.873 115.700 -0.018 0.000 2.348 1404 S HA -0.156 4.314 4.470 0.000 0.000 0.221 1404 S C 2.016 176.585 174.600 -0.052 0.000 1.033 1404 S CA 1.755 59.961 58.200 0.010 0.000 1.010 1404 S CB -1.273 61.976 63.200 0.082 0.000 0.891 1404 S HN 0.587 nan 8.310 nan 0.000 0.442 1405 I N 1.235 121.763 120.570 -0.070 0.000 2.208 1405 I HA -0.161 4.009 4.170 0.000 0.000 0.245 1405 I C 2.504 178.522 176.117 -0.165 0.000 1.097 1405 I CA 1.030 62.266 61.300 -0.106 0.000 1.363 1405 I CB -0.512 37.420 38.000 -0.113 0.000 1.051 1405 I HN 0.226 nan 8.210 nan 0.000 0.413 1406 L N 0.753 121.866 121.223 -0.182 0.000 2.131 1406 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1406 L C 2.260 178.983 176.870 -0.244 0.000 1.092 1406 L CA 1.747 56.443 54.840 -0.240 0.000 0.759 1406 L CB -0.445 41.478 42.059 -0.227 0.000 0.903 1406 L HN 0.159 nan 8.230 nan 0.000 0.435 1407 L N -2.047 119.070 121.223 -0.177 0.000 2.072 1407 L HA -0.185 4.155 4.340 0.000 0.000 0.205 1407 L C 2.519 179.293 176.870 -0.160 0.000 1.079 1407 L CA 1.180 55.926 54.840 -0.156 0.000 0.752 1407 L CB -0.622 41.378 42.059 -0.098 0.000 0.906 1407 L HN 0.255 nan 8.230 nan 0.000 0.436 1408 M N -0.334 119.179 119.600 -0.146 0.000 2.108 1408 M HA -0.192 4.288 4.480 0.000 0.000 0.261 1408 M C 2.330 178.506 176.300 -0.208 0.000 1.066 1408 M CA 1.504 56.723 55.300 -0.136 0.000 1.107 1408 M CB -0.576 31.959 32.600 -0.109 0.000 1.356 1408 M HN 0.112 nan 8.290 nan 0.000 0.406 1409 V N -0.140 119.582 119.914 -0.321 0.000 2.237 1409 V HA -0.215 3.905 4.120 0.000 0.000 0.245 1409 V C 2.404 178.100 176.094 -0.662 0.000 1.046 1409 V CA 1.840 63.790 62.300 -0.583 0.000 1.007 1409 V CB -0.903 30.464 31.823 -0.759 0.000 0.638 1409 V HN 0.295 nan 8.190 nan 0.000 0.445 1410 V N -0.287 119.338 119.914 -0.482 0.000 2.453 1410 V HA -0.343 3.777 4.120 0.000 0.000 0.252 1410 V C 2.393 178.457 176.094 -0.050 0.000 1.068 1410 V CA 1.995 64.177 62.300 -0.197 0.000 1.070 1410 V CB -0.948 30.787 31.823 -0.147 0.000 0.664 1410 V HN 0.587 nan 8.190 nan 0.000 0.461 1411 Q N -0.036 119.706 119.800 -0.098 0.000 1.916 1411 Q HA -0.153 4.187 4.340 0.000 0.000 0.203 1411 Q C 2.620 178.631 176.000 0.019 0.000 0.983 1411 Q CA 1.821 57.605 55.803 -0.032 0.000 0.846 1411 Q CB -0.422 28.287 28.738 -0.048 0.000 0.909 1411 Q HN 0.570 nan 8.270 nan 0.000 0.427 1412 S N 0.271 115.960 115.700 -0.018 0.000 2.399 1412 S HA -0.213 4.257 4.470 0.000 0.000 0.235 1412 S C 1.420 176.139 174.600 0.198 0.000 1.063 1412 S CA 1.503 59.732 58.200 0.049 0.000 1.070 1412 S CB -0.363 62.839 63.200 0.003 0.000 0.904 1412 S HN 0.389 nan 8.310 nan 0.000 0.456 1413 W N 1.556 122.880 121.300 0.040 0.000 2.335 1413 W HA -0.079 4.581 4.660 0.000 0.000 0.311 1413 W C 2.451 179.004 176.519 0.057 0.000 1.213 1413 W CA 0.781 58.159 57.345 0.056 0.000 1.274 1413 W CB -1.395 28.113 29.460 0.080 0.000 1.148 1413 W HN 0.483 nan 8.180 nan 0.000 0.498 1414 E N 0.213 120.581 120.200 0.279 0.000 2.049 1414 E HA -0.282 4.068 4.350 0.000 0.000 0.198 1414 E C 2.120 178.785 176.600 0.108 0.000 1.007 1414 E CA 1.898 58.389 56.400 0.152 0.000 0.809 1414 E CB -0.337 29.415 29.700 0.087 0.000 0.749 1414 E HN 0.071 nan 8.360 nan 0.000 0.450 1415 E N 0.933 121.192 120.200 0.099 0.000 2.072 1415 E HA -0.249 4.101 4.350 0.000 0.000 0.191 1415 E C 1.944 178.595 176.600 0.084 0.000 0.985 1415 E CA 1.341 57.783 56.400 0.070 0.000 0.801 1415 E CB -0.217 29.516 29.700 0.055 0.000 0.750 1415 E HN 0.402 nan 8.360 nan 0.000 0.452 1416 E N -0.045 120.229 120.200 0.124 0.000 2.187 1416 E HA -0.126 4.224 4.350 0.000 0.000 0.199 1416 E C 0.260 176.920 176.600 0.101 0.000 1.004 1416 E CA 1.052 57.524 56.400 0.119 0.000 0.813 1416 E CB 0.034 29.835 29.700 0.169 0.000 0.736 1416 E HN -0.031 nan 8.360 nan 0.000 0.468 1417 S N -0.065 115.708 115.700 0.122 0.000 2.460 1417 S HA 0.290 4.760 4.470 0.000 0.000 0.211 1417 S C 0.292 174.933 174.600 0.069 0.000 1.312 1417 S CA -0.477 57.806 58.200 0.139 0.000 1.256 1417 S CB 0.459 63.825 63.200 0.277 0.000 1.086 1417 S HN 0.182 nan 8.310 nan 0.000 0.507 1418 R N 0.300 120.826 120.500 0.043 0.000 2.307 1418 R HA 0.270 4.611 4.340 0.000 0.000 0.200 1418 R C 1.592 177.896 176.300 0.007 0.000 0.893 1418 R CA -0.062 56.044 56.100 0.009 0.000 1.042 1418 R CB 0.260 30.566 30.300 0.010 0.000 1.059 1418 R HN 0.113 nan 8.270 nan 0.000 0.530 1419 R N -0.026 120.489 120.500 0.024 0.000 2.146 1419 R HA 0.218 4.558 4.340 0.000 0.000 0.206 1419 R C 1.724 178.042 176.300 0.030 0.000 1.049 1419 R CA 0.633 56.745 56.100 0.020 0.000 1.029 1419 R CB 0.116 30.428 30.300 0.020 0.000 0.949 1419 R HN 0.094 nan 8.270 nan 0.000 0.471 1420 M N 0.302 119.938 119.600 0.060 0.000 2.558 1420 M HA 0.060 4.540 4.480 0.000 0.000 0.255 1420 M C 0.822 177.175 176.300 0.089 0.000 1.113 1420 M CA 0.400 55.754 55.300 0.090 0.000 1.097 1420 M CB -0.261 32.423 32.600 0.140 0.000 1.426 1420 M HN -0.068 nan 8.290 nan 0.000 0.488 1421 R N 0.066 120.579 120.500 0.022 0.000 2.668 1421 R HA 0.605 4.945 4.340 0.000 0.000 0.279 1421 R C -0.136 176.125 176.300 -0.065 0.000 0.976 1421 R CA -0.237 55.812 56.100 -0.084 0.000 0.978 1421 R CB 1.600 31.781 30.300 -0.197 0.000 1.133 1421 R HN 0.110 nan 8.270 nan 0.000 0.484 1422 A N 2.116 124.886 122.820 -0.084 0.000 2.377 1422 A HA -0.007 4.313 4.320 0.000 0.000 0.274 1422 A C 0.315 177.869 177.584 -0.051 0.000 1.178 1422 A CA 0.522 52.525 52.037 -0.058 0.000 0.836 1422 A CB 0.221 19.182 19.000 -0.064 0.000 1.111 1422 A HN 0.884 nan 8.150 nan 0.000 0.517 1423 K N -0.402 119.975 120.400 -0.038 0.000 2.361 1423 K HA 0.042 4.362 4.320 0.000 0.000 0.194 1423 K C -0.241 176.339 176.600 -0.033 0.000 1.032 1423 K CA 0.756 57.025 56.287 -0.031 0.000 1.048 1423 K CB 0.313 32.800 32.500 -0.021 0.000 0.842 1423 K HN 0.794 nan 8.250 nan 0.000 0.526 1424 D N 1.009 121.386 120.400 -0.039 0.000 2.755 1424 D HA 0.112 4.752 4.640 0.000 0.000 0.257 1424 D C -0.262 176.010 176.300 -0.048 0.000 1.291 1424 D CA -0.155 53.823 54.000 -0.036 0.000 0.836 1424 D CB -0.001 40.782 40.800 -0.028 0.000 1.059 1424 D HN 0.059 nan 8.370 nan 0.000 0.486 1425 I N 0.634 121.166 120.570 -0.063 0.000 2.534 1425 I HA 0.234 4.404 4.170 0.000 0.000 0.286 1425 I C -0.754 175.314 176.117 -0.082 0.000 1.094 1425 I CA -0.705 60.546 61.300 -0.081 0.000 1.055 1425 I CB 2.341 40.269 38.000 -0.121 0.000 1.225 1425 I HN -0.143 nan 8.210 nan 0.000 0.435 1426 L N 8.437 129.624 121.223 -0.061 0.000 2.297 1426 L HA 0.414 4.754 4.340 0.000 0.000 0.277 1426 L C -2.048 174.793 176.870 -0.049 0.000 1.040 1426 L CA -1.725 53.085 54.840 -0.049 0.000 0.867 1426 L CB 0.887 42.929 42.059 -0.028 0.000 1.244 1426 L HN 0.261 nan 8.230 nan 0.000 0.433 1427 P HA -0.065 nan 4.420 nan 0.000 0.267 1427 P C -0.342 176.946 177.300 -0.020 0.000 1.201 1427 P CA -0.336 62.730 63.100 -0.057 0.000 0.775 1427 P CB 0.456 32.105 31.700 -0.086 0.000 0.854 1428 C N 2.518 121.823 119.300 0.009 0.000 2.605 1428 C HA 0.535 4.995 4.460 0.000 0.000 0.404 1428 C C 0.651 175.578 174.990 -0.105 0.000 1.284 1428 C CA -0.841 58.171 59.018 -0.011 0.000 2.199 1428 C CB -0.311 27.486 27.740 0.096 0.000 2.647 1428 C HN 0.476 nan 8.230 nan 0.000 0.604 1429 R N 1.781 122.200 120.500 -0.135 0.000 2.476 1429 R HA 0.782 5.122 4.340 0.000 0.000 0.305 1429 R C -1.145 174.991 176.300 -0.273 0.000 0.965 1429 R CA -0.433 55.559 56.100 -0.181 0.000 0.867 1429 R CB 1.580 31.810 30.300 -0.117 0.000 1.176 1429 R HN 0.899 nan 8.270 nan 0.000 0.447 1430 L N 3.496 124.479 121.223 -0.400 0.000 2.482 1430 L HA 0.541 4.881 4.340 0.000 0.000 0.263 1430 L C -1.823 174.605 176.870 -0.737 0.000 0.957 1430 L CA -0.839 53.682 54.840 -0.531 0.000 0.836 1430 L CB 1.499 43.199 42.059 -0.599 0.000 1.324 1430 L HN 0.465 nan 8.230 nan 0.000 0.406 1431 L N 3.266 124.034 121.223 -0.759 0.000 2.422 1431 L HA 0.736 5.076 4.340 0.000 0.000 0.263 1431 L C -0.843 175.324 176.870 -1.170 0.000 1.110 1431 L CA -0.240 54.066 54.840 -0.890 0.000 1.065 1431 L CB 1.305 43.078 42.059 -0.476 0.000 1.701 1431 L HN 0.542 nan 8.230 nan 0.000 0.548 1432 F N -0.819 118.957 119.950 -0.290 0.000 2.824 1432 F HA 0.769 5.296 4.527 -0.000 0.000 0.330 1432 F C -0.975 174.717 175.800 -0.181 0.000 1.175 1432 F CA -0.837 57.015 58.000 -0.248 0.000 0.974 1432 F CB 1.335 40.159 39.000 -0.294 0.000 1.430 1432 F HN 0.045 nan 8.300 nan 0.000 0.507 1433 L N 2.030 123.318 121.223 0.108 0.000 3.305 1433 L HA 0.210 4.550 4.340 0.000 0.000 0.215 1433 L C -1.277 175.621 176.870 0.046 0.000 1.032 1433 L CA -0.146 54.715 54.840 0.035 0.000 1.264 1433 L CB -0.309 41.747 42.059 -0.005 0.000 1.536 1433 L HN 0.569 nan 8.230 nan 0.000 0.685 1434 D N 1.594 122.023 120.400 0.049 0.000 2.357 1434 D HA 0.319 4.959 4.640 0.000 0.000 0.242 1434 D C 0.528 176.849 176.300 0.035 0.000 1.153 1434 D CA 0.792 54.820 54.000 0.046 0.000 0.918 1434 D CB 1.234 42.068 40.800 0.057 0.000 1.181 1434 D HN 0.503 nan 8.370 nan 0.000 0.435 1435 Q N 0.820 120.639 119.800 0.033 0.000 2.468 1435 Q HA -0.228 4.112 4.340 0.000 0.000 0.289 1435 Q C 0.485 176.500 176.000 0.025 0.000 1.299 1435 Q CA 0.859 56.675 55.803 0.023 0.000 0.838 1435 Q CB -1.636 27.104 28.738 0.002 0.000 1.195 1435 Q HN 0.505 nan 8.270 nan 0.000 0.456 1436 A N -0.737 122.107 122.820 0.041 0.000 2.272 1436 A HA 0.125 4.445 4.320 0.000 0.000 0.213 1436 A C 2.033 179.646 177.584 0.047 0.000 1.183 1436 A CA 1.571 53.637 52.037 0.048 0.000 0.719 1436 A CB -0.535 18.512 19.000 0.078 0.000 0.771 1436 A HN 0.883 nan 8.150 nan 0.000 0.484 1437 A N 0.464 123.307 122.820 0.038 0.000 1.883 1437 A HA -0.204 4.116 4.320 0.000 0.000 0.217 1437 A C 2.157 179.754 177.584 0.022 0.000 1.186 1437 A CA 1.578 53.634 52.037 0.032 0.000 0.624 1437 A CB -0.489 18.527 19.000 0.026 0.000 0.822 1437 A HN 0.570 nan 8.150 nan 0.000 0.444 1438 R N -1.181 119.326 120.500 0.011 0.000 2.140 1438 R HA -0.161 4.179 4.340 0.000 0.000 0.250 1438 R C 0.044 176.348 176.300 0.006 0.000 1.150 1438 R CA 0.928 57.029 56.100 0.001 0.000 0.966 1438 R CB -0.809 29.483 30.300 -0.014 0.000 0.869 1438 R HN 0.369 nan 8.270 nan 0.000 0.445 1439 L N 1.335 122.566 121.223 0.014 0.000 2.473 1439 L HA 0.008 4.348 4.340 0.000 0.000 0.268 1439 L C 0.234 177.131 176.870 0.045 0.000 1.215 1439 L CA 0.393 55.253 54.840 0.032 0.000 0.823 1439 L CB 0.307 42.398 42.059 0.053 0.000 1.099 1439 L HN 0.204 nan 8.230 nan 0.000 0.483 1440 D N -0.045 120.390 120.400 0.058 0.000 2.440 1440 D HA 0.507 5.147 4.640 0.000 0.000 0.258 1440 D C 0.744 177.068 176.300 0.041 0.000 1.092 1440 D CA -0.137 53.889 54.000 0.043 0.000 1.016 1440 D CB 0.672 41.496 40.800 0.040 0.000 1.141 1440 D HN 0.509 nan 8.370 nan 0.000 0.552 1441 A N 0.235 123.063 122.820 0.013 0.000 1.917 1441 A HA -0.229 4.091 4.320 0.000 0.000 0.219 1441 A C 1.996 179.570 177.584 -0.017 0.000 1.182 1441 A CA 2.337 54.364 52.037 -0.017 0.000 0.633 1441 A CB -0.867 18.115 19.000 -0.030 0.000 0.819 1441 A HN 0.623 nan 8.150 nan 0.000 0.448 1442 M N -0.294 119.309 119.600 0.006 0.000 2.156 1442 M HA 0.004 4.484 4.480 0.000 0.000 0.264 1442 M C 2.149 178.476 176.300 0.045 0.000 1.067 1442 M CA 2.104 57.407 55.300 0.004 0.000 1.131 1442 M CB -0.630 31.969 32.600 -0.001 0.000 1.368 1442 M HN 0.266 nan 8.290 nan 0.000 0.416 1443 S N 0.309 116.086 115.700 0.129 0.000 2.368 1443 S HA -0.046 4.424 4.470 0.000 0.000 0.224 1443 S C 1.973 176.780 174.600 0.345 0.000 1.029 1443 S CA 1.451 59.843 58.200 0.320 0.000 0.988 1443 S CB -0.579 62.867 63.200 0.410 0.000 0.838 1443 S HN 0.642 nan 8.310 nan 0.000 0.462 1444 I N 1.880 122.579 120.570 0.216 0.000 2.226 1444 I HA -0.261 3.909 4.170 0.000 0.000 0.245 1444 I C 2.172 178.434 176.117 0.241 0.000 1.100 1444 I CA 1.489 62.940 61.300 0.251 0.000 1.374 1444 I CB -0.271 37.824 38.000 0.158 0.000 1.057 1444 I HN 0.257 nan 8.210 nan 0.000 0.413 1445 N N 0.414 119.129 118.700 0.025 0.000 2.018 1445 N HA -0.239 4.501 4.740 0.000 0.000 0.196 1445 N C 1.688 177.261 175.510 0.105 0.000 1.043 1445 N CA 2.853 55.856 53.050 -0.079 0.000 0.856 1445 N CB -0.422 38.014 38.487 -0.086 0.000 1.042 1445 N HN 0.322 nan 8.380 nan 0.000 0.423 1446 T N 1.503 116.105 114.554 0.079 0.000 2.592 1446 T HA -0.225 4.126 4.350 0.000 0.000 0.267 1446 T C 1.883 176.677 174.700 0.157 0.000 1.060 1446 T CA 1.784 63.899 62.100 0.026 0.000 1.167 1446 T CB -0.719 68.015 68.868 -0.223 0.000 0.863 1446 T HN 0.204 nan 8.240 nan 0.000 0.431 1447 L N -0.290 121.112 121.223 0.298 0.000 2.011 1447 L HA -0.215 4.125 4.340 0.000 0.000 0.225 1447 L C 2.485 179.469 176.870 0.191 0.000 1.084 1447 L CA 1.890 56.881 54.840 0.250 0.000 0.791 1447 L CB -0.916 41.282 42.059 0.231 0.000 0.898 1447 L HN 0.221 nan 8.230 nan 0.000 0.440 1448 F N 0.060 120.032 119.950 0.037 0.000 2.091 1448 F HA -0.261 4.266 4.527 0.000 0.000 0.299 1448 F C 2.640 178.447 175.800 0.012 0.000 1.103 1448 F CA 1.799 59.814 58.000 0.025 0.000 1.228 1448 F CB -0.773 38.245 39.000 0.029 0.000 0.984 1448 F HN 0.182 nan 8.300 nan 0.000 0.477 1449 E N 0.204 120.536 120.200 0.220 0.000 2.268 1449 E HA -0.151 4.199 4.350 0.000 0.000 0.195 1449 E C 2.125 178.760 176.600 0.058 0.000 0.995 1449 E CA 0.551 57.012 56.400 0.102 0.000 0.836 1449 E CB -0.113 29.619 29.700 0.053 0.000 0.763 1449 E HN 0.417 nan 8.360 nan 0.000 0.491 1450 L N -0.446 120.812 121.223 0.057 0.000 2.068 1450 L HA -0.148 4.192 4.340 0.000 0.000 0.204 1450 L C 2.583 179.454 176.870 0.002 0.000 1.076 1450 L CA 0.553 55.406 54.840 0.021 0.000 0.753 1450 L CB -0.344 41.731 42.059 0.028 0.000 0.910 1450 L HN 0.328 nan 8.230 nan 0.000 0.439 1451 C N 0.236 119.529 119.300 -0.011 0.000 2.403 1451 C HA -0.199 4.262 4.460 0.000 0.000 0.277 1451 C C 2.407 177.387 174.990 -0.016 0.000 1.248 1451 C CA 0.863 59.855 59.018 -0.043 0.000 1.762 1451 C CB -0.920 26.765 27.740 -0.092 0.000 2.014 1451 C HN 0.477 nan 8.230 nan 0.000 0.486 1452 E N -0.436 119.772 120.200 0.014 0.000 2.511 1452 E HA -0.044 4.306 4.350 0.000 0.000 0.196 1452 E C 2.128 178.735 176.600 0.011 0.000 1.066 1452 E CA 0.265 56.677 56.400 0.020 0.000 0.871 1452 E CB 0.057 29.782 29.700 0.042 0.000 0.863 1452 E HN 0.646 nan 8.360 nan 0.000 0.520 1453 R N -0.556 119.946 120.500 0.004 0.000 2.195 1453 R HA 0.108 4.448 4.340 0.000 0.000 0.197 1453 R C 0.791 177.086 176.300 -0.009 0.000 0.990 1453 R CA 0.287 56.386 56.100 -0.001 0.000 1.048 1453 R CB 0.427 30.726 30.300 -0.001 0.000 0.997 1453 R HN -0.008 nan 8.270 nan 0.000 0.502 1454 L N 1.084 122.297 121.223 -0.018 0.000 2.910 1454 L HA 0.165 4.505 4.340 0.000 0.000 0.252 1454 L C -0.306 176.545 176.870 -0.032 0.000 1.195 1454 L CA -0.021 54.803 54.840 -0.027 0.000 1.003 1454 L CB 0.024 42.060 42.059 -0.038 0.000 1.328 1454 L HN 0.032 nan 8.230 nan 0.000 0.540 1455 D N 1.339 121.725 120.400 -0.023 0.000 2.755 1455 D HA -0.275 4.365 4.640 0.000 0.000 0.227 1455 D C 0.100 176.374 176.300 -0.043 0.000 1.211 1455 D CA 0.839 54.825 54.000 -0.022 0.000 0.663 1455 D CB -0.197 40.595 40.800 -0.013 0.000 0.983 1455 D HN 0.271 nan 8.370 nan 0.000 0.407 1456 M N 0.809 120.371 119.600 -0.063 0.000 2.578 1456 M HA 0.321 4.801 4.480 0.000 0.000 0.321 1456 M C -0.623 175.603 176.300 -0.123 0.000 1.182 1456 M CA -0.650 54.588 55.300 -0.104 0.000 0.965 1456 M CB 1.552 34.077 32.600 -0.125 0.000 1.694 1456 M HN -0.033 nan 8.290 nan 0.000 0.461 1457 Q N 3.344 123.045 119.800 -0.166 0.000 2.282 1457 Q HA 0.620 4.960 4.340 0.000 0.000 0.260 1457 Q C -1.484 174.363 176.000 -0.255 0.000 0.964 1457 Q CA -0.524 55.176 55.803 -0.171 0.000 0.880 1457 Q CB 2.627 31.277 28.738 -0.146 0.000 1.286 1457 Q HN 0.673 nan 8.270 nan 0.000 0.445 1458 L N 2.987 124.073 121.223 -0.228 0.000 2.346 1458 L HA 0.427 4.767 4.340 0.000 0.000 0.276 1458 L C -0.971 175.806 176.870 -0.155 0.000 1.006 1458 L CA -0.882 53.804 54.840 -0.256 0.000 0.817 1458 L CB 1.654 43.538 42.059 -0.293 0.000 1.272 1458 L HN 0.458 nan 8.230 nan 0.000 0.421 1459 L N 5.974 127.125 121.223 -0.120 0.000 2.709 1459 L HA 0.432 4.772 4.340 0.000 0.000 0.236 1459 L C 0.037 176.975 176.870 0.114 0.000 1.266 1459 L CA -0.143 54.740 54.840 0.071 0.000 0.987 1459 L CB 0.297 42.464 42.059 0.180 0.000 1.306 1459 L HN 0.412 nan 8.230 nan 0.000 0.467 1460 I N -0.394 120.208 120.570 0.053 0.000 3.021 1460 I HA 0.844 5.014 4.170 0.000 0.000 0.303 1460 I C 0.023 176.199 176.117 0.098 0.000 1.044 1460 I CA -0.486 60.852 61.300 0.063 0.000 1.266 1460 I CB 1.281 39.302 38.000 0.035 0.000 1.447 1460 I HN 0.455 nan 8.210 nan 0.000 0.593 1461 A N 2.803 125.676 122.820 0.090 0.000 2.408 1461 A HA 0.792 5.112 4.320 0.000 0.000 0.295 1461 A C -0.648 176.988 177.584 0.088 0.000 1.040 1461 A CA -0.502 51.592 52.037 0.094 0.000 0.707 1461 A CB 1.380 20.426 19.000 0.076 0.000 1.235 1461 A HN 1.103 nan 8.150 nan 0.000 0.418 1462 A N 4.639 127.518 122.820 0.097 0.000 2.508 1462 A HA 0.704 5.024 4.320 0.000 0.000 0.336 1462 A C -1.546 176.084 177.584 0.076 0.000 1.360 1462 A CA -1.524 50.563 52.037 0.083 0.000 0.841 1462 A CB 0.378 19.432 19.000 0.090 0.000 1.136 1462 A HN 0.532 nan 8.150 nan 0.000 0.489 1463 P HA -0.214 nan 4.420 nan 0.000 0.220 1463 P C 0.475 177.808 177.300 0.055 0.000 1.144 1463 P CA 0.877 64.014 63.100 0.062 0.000 0.800 1463 P CB 0.113 31.843 31.700 0.050 0.000 0.772 1464 E N 1.068 121.298 120.200 0.050 0.000 2.414 1464 E HA -0.024 4.326 4.350 0.000 0.000 0.263 1464 E C 0.451 177.078 176.600 0.044 0.000 1.000 1464 E CA -0.265 56.160 56.400 0.041 0.000 0.914 1464 E CB 0.022 29.744 29.700 0.036 0.000 0.948 1464 E HN 0.045 nan 8.360 nan 0.000 0.444 1465 N N 4.851 123.572 118.700 0.036 0.000 2.530 1465 N HA 0.033 4.773 4.740 0.000 0.000 0.216 1465 N C -0.608 174.915 175.510 0.021 0.000 1.315 1465 N CA 0.554 53.624 53.050 0.032 0.000 0.858 1465 N CB 0.001 38.505 38.487 0.027 0.000 1.138 1465 N HN 0.355 nan 8.380 nan 0.000 0.473 1466 I N -0.119 120.466 120.570 0.024 0.000 2.686 1466 I HA 0.251 4.421 4.170 0.000 0.000 0.295 1466 I C 0.246 176.378 176.117 0.025 0.000 1.114 1466 I CA -0.622 60.686 61.300 0.012 0.000 1.038 1466 I CB 1.923 39.927 38.000 0.006 0.000 1.238 1466 I HN -0.078 nan 8.210 nan 0.000 0.420 1467 S N 5.447 121.155 115.700 0.013 0.000 2.776 1467 S HA 0.853 5.323 4.470 0.000 0.000 0.292 1467 S C -3.079 171.518 174.600 -0.006 0.000 1.187 1467 S CA -0.961 57.261 58.200 0.037 0.000 0.834 1467 S CB 1.435 64.678 63.200 0.073 0.000 1.199 1467 S HN 0.366 nan 8.310 nan 0.000 0.514 1468 P HA 0.466 nan 4.420 nan 0.000 0.276 1468 P C 0.661 177.934 177.300 -0.045 0.000 1.252 1468 P CA -0.575 62.456 63.100 -0.115 0.000 0.802 1468 P CB 0.527 32.021 31.700 -0.342 0.000 1.035 1469 E N 1.223 121.384 120.200 -0.065 0.000 1.949 1469 E HA -0.152 4.198 4.350 0.000 0.000 0.205 1469 E C 0.557 177.190 176.600 0.055 0.000 0.957 1469 E CA 0.741 57.134 56.400 -0.012 0.000 0.886 1469 E CB -0.110 29.589 29.700 -0.002 0.000 0.824 1469 E HN 0.397 nan 8.360 nan 0.000 0.555 1470 R N -0.027 120.531 120.500 0.096 0.000 3.016 1470 R HA 0.281 4.621 4.340 0.000 0.000 0.285 1470 R C 0.810 177.220 176.300 0.183 0.000 1.041 1470 R CA 0.057 56.247 56.100 0.150 0.000 1.196 1470 R CB -0.506 29.877 30.300 0.137 0.000 1.160 1470 R HN 0.588 nan 8.270 nan 0.000 0.530 1471 G N -0.805 108.105 108.800 0.184 0.000 2.545 1471 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 1471 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 1471 G C -0.995 174.014 174.900 0.182 0.000 1.314 1471 G CA -0.186 45.028 45.100 0.190 0.000 0.906 1471 G HN 0.797 nan 8.290 nan 0.000 0.563 1472 T N 0.680 115.351 114.554 0.195 0.000 2.856 1472 T HA 0.753 5.103 4.350 0.000 0.000 0.283 1472 T C -0.453 174.381 174.700 0.224 0.000 1.008 1472 T CA 0.214 62.435 62.100 0.202 0.000 0.997 1472 T CB 1.846 70.870 68.868 0.259 0.000 0.992 1472 T HN 0.907 nan 8.240 nan 0.000 0.454 1473 T N 2.744 117.400 114.554 0.170 0.000 3.109 1473 T HA 0.446 4.796 4.350 0.000 0.000 0.311 1473 T C -1.484 173.299 174.700 0.138 0.000 1.011 1473 T CA -0.532 61.679 62.100 0.186 0.000 1.026 1473 T CB 0.591 69.511 68.868 0.087 0.000 1.047 1473 T HN 0.394 nan 8.240 nan 0.000 0.448 1474 Y N 1.795 122.149 120.300 0.090 0.000 2.361 1474 Y HA 0.637 5.187 4.550 -0.000 0.000 0.332 1474 Y C 0.427 176.370 175.900 0.072 0.000 1.101 1474 Y CA -0.983 57.156 58.100 0.064 0.000 1.137 1474 Y CB 1.524 40.057 38.460 0.121 0.000 1.207 1474 Y HN 0.404 nan 8.280 nan 0.000 0.463 1475 K N 2.750 123.239 120.400 0.148 0.000 2.307 1475 K HA 0.655 4.975 4.320 0.000 0.000 0.263 1475 K C -1.928 174.748 176.600 0.127 0.000 0.973 1475 K CA -0.357 55.997 56.287 0.112 0.000 0.846 1475 K CB 0.615 33.138 32.500 0.039 0.000 1.100 1475 K HN 0.495 nan 8.250 nan 0.000 0.438 1476 L N 3.439 124.758 121.223 0.159 0.000 2.333 1476 L HA 0.669 5.009 4.340 0.000 0.000 0.269 1476 L C -0.929 176.010 176.870 0.116 0.000 1.010 1476 L CA -0.875 54.064 54.840 0.166 0.000 0.818 1476 L CB 2.078 44.300 42.059 0.271 0.000 1.306 1476 L HN 0.332 nan 8.230 nan 0.000 0.430 1477 V N 0.732 120.696 119.914 0.084 0.000 3.087 1477 V HA 0.559 4.679 4.120 0.000 0.000 0.306 1477 V C -0.880 175.219 176.094 0.008 0.000 1.187 1477 V CA -0.900 61.436 62.300 0.061 0.000 0.999 1477 V CB 2.450 34.320 31.823 0.079 0.000 1.049 1477 V HN 0.662 nan 8.190 nan 0.000 0.431 1478 R N 2.146 122.654 120.500 0.014 0.000 2.310 1478 R HA 0.630 4.970 4.340 0.000 0.000 0.324 1478 R C -0.762 175.552 176.300 0.023 0.000 0.955 1478 R CA -0.380 55.716 56.100 -0.007 0.000 0.830 1478 R CB 0.933 31.244 30.300 0.018 0.000 1.154 1478 R HN 0.738 nan 8.270 nan 0.000 0.458 1479 K N 4.254 124.678 120.400 0.041 0.000 2.259 1479 K HA 0.447 4.767 4.320 0.000 0.000 0.249 1479 K C -0.578 176.124 176.600 0.170 0.000 0.942 1479 K CA -0.732 55.623 56.287 0.113 0.000 0.816 1479 K CB 2.211 34.809 32.500 0.165 0.000 1.155 1479 K HN 0.468 nan 8.250 nan 0.000 0.428 1480 I N 4.032 124.671 120.570 0.116 0.000 2.442 1480 I HA 0.142 4.312 4.170 0.000 0.000 0.279 1480 I C -0.816 175.330 176.117 0.048 0.000 1.081 1480 I CA -0.649 60.705 61.300 0.089 0.000 1.197 1480 I CB 0.506 38.540 38.000 0.057 0.000 1.394 1480 I HN 0.286 nan 8.210 nan 0.000 0.488 1481 L N 5.254 126.488 121.223 0.018 0.000 2.387 1481 L HA 0.719 5.059 4.340 0.000 0.000 0.266 1481 L C 1.253 178.087 176.870 -0.059 0.000 1.059 1481 L CA 0.490 55.286 54.840 -0.073 0.000 0.801 1481 L CB 1.426 43.340 42.059 -0.242 0.000 1.223 1481 L HN 0.692 nan 8.230 nan 0.000 0.456 1482 A N 2.228 125.013 122.820 -0.059 0.000 3.052 1482 A HA -0.299 4.021 4.320 0.000 0.000 0.271 1482 A C 0.705 178.285 177.584 -0.006 0.000 1.246 1482 A CA 1.323 53.340 52.037 -0.033 0.000 0.966 1482 A CB -2.434 16.545 19.000 -0.036 0.000 1.024 1482 A HN 1.147 nan 8.150 nan 0.000 0.736 1483 N N -1.651 117.049 118.700 0.000 0.000 2.780 1483 N HA -0.161 4.579 4.740 0.000 0.000 0.247 1483 N C -0.102 175.424 175.510 0.028 0.000 1.076 1483 N CA 1.841 54.900 53.050 0.015 0.000 0.688 1483 N CB -1.308 37.186 38.487 0.011 0.000 0.957 1483 N HN 0.992 nan 8.380 nan 0.000 0.551 1484 Q N -1.046 118.778 119.800 0.040 0.000 2.814 1484 Q HA 0.315 4.655 4.340 0.000 0.000 0.322 1484 Q C -0.469 175.585 176.000 0.091 0.000 0.888 1484 Q CA -0.902 54.937 55.803 0.060 0.000 0.768 1484 Q CB 1.458 30.233 28.738 0.061 0.000 1.443 1484 Q HN 0.032 nan 8.270 nan 0.000 0.497 1485 E N 0.477 120.739 120.200 0.103 0.000 2.447 1485 E HA 0.059 4.410 4.350 0.000 0.000 0.259 1485 E C -1.061 175.669 176.600 0.217 0.000 1.196 1485 E CA 0.854 57.326 56.400 0.121 0.000 0.995 1485 E CB 0.360 30.121 29.700 0.101 0.000 0.974 1485 E HN 0.491 nan 8.360 nan 0.000 0.465 1486 Y N -0.889 119.396 120.300 -0.025 0.000 2.014 1486 Y HA 0.062 4.612 4.550 0.000 0.000 0.310 1486 Y C -1.782 174.069 175.900 -0.082 0.000 1.217 1486 Y CA -0.327 57.751 58.100 -0.037 0.000 1.665 1486 Y CB -0.348 38.113 38.460 0.001 0.000 1.290 1486 Y HN 0.160 nan 8.280 nan 0.000 0.372 1487 V N 5.936 125.474 119.914 -0.626 0.000 2.439 1487 V HA 0.299 4.419 4.120 0.000 0.000 0.282 1487 V C -0.172 175.591 176.094 -0.551 0.000 1.039 1487 V CA -0.498 61.451 62.300 -0.585 0.000 0.913 1487 V CB 1.175 32.469 31.823 -0.881 0.000 0.983 1487 V HN 0.731 nan 8.190 nan 0.000 0.460 1488 H N 3.498 122.323 119.070 -0.408 0.000 2.552 1488 H HA 0.619 5.175 4.556 -0.000 0.000 0.311 1488 H C -0.733 174.536 175.328 -0.098 0.000 1.071 1488 H CA -0.227 55.656 56.048 -0.275 0.000 1.307 1488 H CB 1.438 31.101 29.762 -0.165 0.000 1.416 1488 H HN 0.426 nan 8.280 nan 0.000 0.464 1489 V N 6.308 125.998 119.914 -0.373 0.000 2.513 1489 V HA 0.445 4.566 4.120 0.000 0.000 0.299 1489 V C -0.639 175.255 176.094 -0.334 0.000 1.035 1489 V CA -0.716 61.450 62.300 -0.224 0.000 0.889 1489 V CB 1.744 33.486 31.823 -0.134 0.000 0.988 1489 V HN 0.592 nan 8.190 nan 0.000 0.440 1490 V N 3.273 123.059 119.914 -0.213 0.000 2.612 1490 V HA 0.802 4.922 4.120 0.000 0.000 0.301 1490 V C 0.235 176.148 176.094 -0.301 0.000 1.059 1490 V CA -0.336 61.820 62.300 -0.239 0.000 0.886 1490 V CB 1.964 33.694 31.823 -0.155 0.000 1.007 1490 V HN 0.985 nan 8.190 nan 0.000 0.426 1491 G N 4.340 112.836 108.800 -0.506 0.000 2.495 1491 G HA2 0.798 4.758 3.960 0.000 0.000 0.318 1491 G HA3 0.798 4.758 3.960 0.000 0.000 0.318 1491 G C -1.347 173.320 174.900 -0.387 0.000 1.257 1491 G CA -0.629 44.012 45.100 -0.766 0.000 0.962 1491 G HN 0.567 nan 8.290 nan 0.000 0.483 1492 L N 1.231 122.321 121.223 -0.222 0.000 2.362 1492 L HA 0.721 5.061 4.340 0.000 0.000 0.271 1492 L C -0.187 176.713 176.870 0.051 0.000 1.002 1492 L CA -1.000 53.827 54.840 -0.021 0.000 0.818 1492 L CB 2.432 44.500 42.059 0.015 0.000 1.298 1492 L HN 0.749 nan 8.230 nan 0.000 0.420 1493 K N 0.438 120.933 120.400 0.159 0.000 2.536 1493 K HA 0.853 5.173 4.320 0.000 0.000 0.269 1493 K C 0.019 176.754 176.600 0.226 0.000 0.965 1493 K CA -0.222 56.173 56.287 0.180 0.000 0.860 1493 K CB 2.581 35.143 32.500 0.103 0.000 1.423 1493 K HN 0.610 nan 8.250 nan 0.000 0.438 1494 G N 0.917 109.846 108.800 0.215 0.000 3.102 1494 G HA2 -0.188 3.772 3.960 0.000 0.000 0.200 1494 G HA3 -0.188 3.772 3.960 0.000 0.000 0.200 1494 G C -0.344 174.652 174.900 0.159 0.000 1.685 1494 G CA -0.327 44.846 45.100 0.123 0.000 1.299 1494 G HN 0.513 nan 8.290 nan 0.000 0.576 1495 F N 2.427 122.389 119.950 0.021 0.000 2.304 1495 F HA 0.258 4.786 4.527 0.000 0.000 0.321 1495 F C 1.831 177.646 175.800 0.025 0.000 0.865 1495 F CA 2.732 60.743 58.000 0.020 0.000 1.105 1495 F CB -0.447 38.564 39.000 0.018 0.000 0.864 1495 F HN 1.909 nan 8.300 nan 0.000 0.609 1496 G N 0.000 108.913 108.800 0.188 0.000 5.446 1496 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1496 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1496 G CA 0.000 45.170 45.100 0.116 0.000 0.502 1496 G HN 0.000 nan 8.290 nan 0.000 0.925