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 3ihm_1_B DATA FIRST_RESID 4 DATA SEQUENCE RIGIVGAGTA GLHLGLFLRQ HDVDVTVYTD RKPDEYSGLR LLNTVAHNAV DATA SEQUENCE TVQREVALDV NEWPSEEFGY FGHYYYVGGP QPMRFYGDLK APSRAVDYRL DATA SEQUENCE YQPMLMRALE ARGGKFCYDA VSAEDLEGLS EQYDLLVVCT GKYALGKVFE DATA SEQUENCE KQSENSPFEK PQRALCVGLF KGIKEAPIRA VTMSFSPGHG ELIEIPTLSF DATA SEQUENCE NGMSTALVLE NHIGSDLEVL AHTKYDDDPR AFLDLMLEKL GKHHPSVAER DATA SEQUENCE IDPAEFDLAN SSLDILQGGV VPAFRDGHAT LNNGKTIIGL GDIQATVDPV DATA SEQUENCE LGQGANMASY AAWILGEEIL AHSVYDLRFS EHLERRRQDR VLCATRWTNF DATA SEQUENCE TLSALSALPP EFLAFLQILS QSREMADEFT DNFNYPERQW DRFSSPERIG DATA SEQUENCE QWCSQFA 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.407 176.300 0.179 0.000 0.893 4 R CA 0.000 56.199 56.100 0.165 0.000 0.921 4 R CB 0.000 30.348 30.300 0.081 0.000 0.687 5 I N 1.861 122.484 120.570 0.089 0.000 2.389 5 I HA 0.434 4.607 4.170 0.004 0.000 0.288 5 I C 0.270 176.183 176.117 -0.340 0.000 0.999 5 I CA -0.522 60.722 61.300 -0.093 0.000 1.129 5 I CB 1.231 39.157 38.000 -0.123 0.000 1.288 5 I HN 0.201 nan 8.210 nan 0.000 0.444 6 G N 6.987 115.402 108.800 -0.642 0.000 2.343 6 G HA2 0.716 4.678 3.960 0.004 0.000 0.319 6 G HA3 0.716 4.678 3.960 0.004 0.000 0.319 6 G C -0.634 174.042 174.900 -0.373 0.000 1.126 6 G CA -0.357 44.182 45.100 -0.935 0.000 0.889 6 G HN 0.494 nan 8.290 nan 0.000 0.457 7 I N 2.406 122.843 120.570 -0.221 0.000 2.382 7 I HA 0.181 4.353 4.170 0.004 0.000 0.286 7 I C -0.344 175.780 176.117 0.010 0.000 1.002 7 I CA -0.877 60.360 61.300 -0.104 0.000 1.135 7 I CB 2.274 40.205 38.000 -0.115 0.000 1.288 7 I HN 0.059 nan 8.210 nan 0.000 0.448 8 V N 6.029 125.947 119.914 0.007 0.000 2.353 8 V HA 0.722 4.845 4.120 0.004 0.000 0.264 8 V C 0.626 176.764 176.094 0.074 0.000 1.049 8 V CA -0.208 62.122 62.300 0.050 0.000 0.896 8 V CB 0.212 32.031 31.823 -0.007 0.000 1.025 8 V HN 1.060 nan 8.190 nan 0.000 0.475 9 G N 3.825 112.693 108.800 0.112 0.000 2.906 9 G HA2 0.344 4.306 3.960 0.004 0.000 0.686 9 G HA3 0.344 4.306 3.960 0.004 0.000 0.686 9 G C -0.128 174.843 174.900 0.119 0.000 1.170 9 G CA -0.083 45.094 45.100 0.129 0.000 0.775 9 G HN 1.068 nan 8.290 nan 0.000 0.630 10 A N 1.504 124.427 122.820 0.172 0.000 3.951 10 A HA 1.067 5.389 4.320 0.004 0.000 0.167 10 A C 2.254 179.927 177.584 0.148 0.000 1.664 10 A CA 1.797 53.945 52.037 0.185 0.000 1.093 10 A CB -0.717 18.455 19.000 0.287 0.000 1.149 10 A HN 3.087 nan 8.150 nan 0.000 0.424 11 G N -2.986 105.910 108.800 0.160 0.000 2.877 11 G HA2 -0.127 3.836 3.960 0.004 0.000 0.279 11 G HA3 -0.127 3.836 3.960 0.004 0.000 0.279 11 G C 0.548 175.489 174.900 0.069 0.000 1.431 11 G CA 0.343 45.518 45.100 0.125 0.000 0.883 11 G HN 1.100 nan 8.290 nan 0.000 0.547 12 T N 0.901 115.482 114.554 0.045 0.000 2.720 12 T HA 0.041 4.393 4.350 0.004 0.000 0.268 12 T C 2.885 177.519 174.700 -0.110 0.000 1.037 12 T CA 2.934 64.991 62.100 -0.071 0.000 1.144 12 T CB -0.511 68.326 68.868 -0.052 0.000 0.864 12 T HN 1.533 nan 8.240 nan 0.000 0.444 13 A N 1.497 124.310 122.820 -0.013 0.000 1.845 13 A HA 0.143 4.466 4.320 0.004 0.000 0.215 13 A C 2.671 180.286 177.584 0.052 0.000 1.195 13 A CA 1.816 53.861 52.037 0.014 0.000 0.616 13 A CB -1.404 17.602 19.000 0.010 0.000 0.832 13 A HN 0.502 nan 8.150 nan 0.000 0.443 14 G N -0.473 108.358 108.800 0.051 0.000 2.402 14 G HA2 -0.094 3.869 3.960 0.004 0.000 0.216 14 G HA3 -0.094 3.869 3.960 0.004 0.000 0.216 14 G C 1.562 176.500 174.900 0.062 0.000 1.162 14 G CA 1.017 46.142 45.100 0.042 0.000 0.777 14 G HN 0.411 nan 8.290 nan 0.000 0.539 15 L N -0.818 120.472 121.223 0.112 0.000 2.131 15 L HA 0.038 4.380 4.340 0.004 0.000 0.206 15 L C 2.620 179.626 176.870 0.226 0.000 1.087 15 L CA 0.781 55.710 54.840 0.148 0.000 0.767 15 L CB -0.548 41.605 42.059 0.156 0.000 0.917 15 L HN 0.279 nan 8.230 nan 0.000 0.441 16 H N -0.566 118.563 119.070 0.098 0.000 2.387 16 H HA -0.183 4.376 4.556 0.004 0.000 0.299 16 H C 2.199 177.604 175.328 0.128 0.000 1.090 16 H CA 1.294 57.431 56.048 0.149 0.000 1.332 16 H CB 0.275 30.151 29.762 0.190 0.000 1.386 16 H HN 0.164 nan 8.280 nan 0.000 0.516 17 L N 0.746 122.082 121.223 0.189 0.000 2.017 17 L HA -0.044 4.298 4.340 0.004 0.000 0.208 17 L C 2.555 179.476 176.870 0.085 0.000 1.073 17 L CA 1.950 56.839 54.840 0.082 0.000 0.745 17 L CB -0.892 41.178 42.059 0.018 0.000 0.894 17 L HN 0.184 nan 8.230 nan 0.000 0.432 18 G N -0.477 108.353 108.800 0.049 0.000 2.418 18 G HA2 -0.233 3.729 3.960 0.004 0.000 0.217 18 G HA3 -0.233 3.729 3.960 0.004 0.000 0.217 18 G C 1.614 176.528 174.900 0.022 0.000 1.158 18 G CA 1.087 46.185 45.100 -0.003 0.000 0.771 18 G HN 0.436 nan 8.290 nan 0.000 0.545 19 L N -0.916 120.341 121.223 0.057 0.000 2.093 19 L HA 0.071 4.414 4.340 0.004 0.000 0.208 19 L C 2.495 179.386 176.870 0.034 0.000 1.085 19 L CA 0.706 55.568 54.840 0.036 0.000 0.755 19 L CB -0.324 41.755 42.059 0.033 0.000 0.904 19 L HN 0.260 nan 8.230 nan 0.000 0.435 20 F N 0.493 120.394 119.950 -0.081 0.000 2.084 20 F HA -0.207 4.323 4.527 0.004 0.000 0.296 20 F C 2.180 177.944 175.800 -0.060 0.000 1.111 20 F CA 1.534 59.438 58.000 -0.159 0.000 1.224 20 F CB -0.081 38.725 39.000 -0.325 0.000 0.991 20 F HN -0.148 nan 8.300 nan 0.000 0.471 21 L N -0.166 121.153 121.223 0.159 0.000 2.131 21 L HA -0.179 4.164 4.340 0.004 0.000 0.210 21 L C 2.426 179.293 176.870 -0.004 0.000 1.092 21 L CA 1.022 55.914 54.840 0.087 0.000 0.759 21 L CB -0.551 41.552 42.059 0.074 0.000 0.903 21 L HN 0.051 nan 8.230 nan 0.000 0.435 22 R N 0.067 120.545 120.500 -0.036 0.000 2.148 22 R HA -0.097 4.245 4.340 0.004 0.000 0.223 22 R C 2.207 178.440 176.300 -0.112 0.000 1.088 22 R CA 1.095 57.159 56.100 -0.059 0.000 0.985 22 R CB -0.151 30.119 30.300 -0.049 0.000 0.880 22 R HN 0.396 nan 8.270 nan 0.000 0.451 23 Q N -1.352 118.332 119.800 -0.194 0.000 2.297 23 Q HA -0.110 4.233 4.340 0.004 0.000 0.204 23 Q C 0.464 176.191 176.000 -0.455 0.000 0.962 23 Q CA 1.203 56.806 55.803 -0.333 0.000 0.879 23 Q CB 0.154 28.614 28.738 -0.462 0.000 0.947 23 Q HN 0.570 nan 8.270 nan 0.000 0.462 24 H N -0.450 118.472 119.070 -0.247 0.000 2.507 24 H HA 0.072 4.631 4.556 0.004 0.000 0.294 24 H C -0.611 174.653 175.328 -0.107 0.000 1.064 24 H CA -0.085 55.853 56.048 -0.184 0.000 1.138 24 H CB 0.382 30.016 29.762 -0.214 0.000 1.515 24 H HN 0.090 nan 8.280 nan 0.000 0.547 25 D N 0.213 120.595 120.400 -0.031 0.000 2.837 25 D HA -0.169 4.474 4.640 0.004 0.000 0.230 25 D C -0.783 175.517 176.300 0.001 0.000 1.152 25 D CA 0.327 54.314 54.000 -0.021 0.000 0.736 25 D CB -1.165 39.622 40.800 -0.023 0.000 1.084 25 D HN 0.152 nan 8.370 nan 0.000 0.429 26 V N 0.860 120.780 119.914 0.009 0.000 2.509 26 V HA 0.187 4.310 4.120 0.004 0.000 0.284 26 V C 0.843 176.938 176.094 0.001 0.000 1.047 26 V CA -0.694 61.615 62.300 0.014 0.000 0.952 26 V CB 1.711 33.549 31.823 0.024 0.000 0.988 26 V HN 0.173 nan 8.190 nan 0.000 0.469 27 D N 3.651 124.057 120.400 0.010 0.000 2.358 27 D HA 0.257 4.899 4.640 0.004 0.000 0.258 27 D C -0.427 175.876 176.300 0.004 0.000 1.223 27 D CA 0.099 54.106 54.000 0.011 0.000 0.886 27 D CB 1.415 42.235 40.800 0.033 0.000 1.120 27 D HN 0.470 nan 8.370 nan 0.000 0.482 28 V N 1.419 121.309 119.914 -0.040 0.000 2.604 28 V HA 0.698 4.820 4.120 0.004 0.000 0.305 28 V C -0.302 175.694 176.094 -0.162 0.000 1.043 28 V CA -0.614 61.625 62.300 -0.101 0.000 0.888 28 V CB 1.909 33.658 31.823 -0.124 0.000 0.995 28 V HN 0.419 nan 8.190 nan 0.000 0.429 29 T N 3.847 118.264 114.554 -0.227 0.000 2.841 29 T HA 0.643 4.996 4.350 0.004 0.000 0.285 29 T C -0.542 173.893 174.700 -0.441 0.000 0.991 29 T CA -0.447 61.455 62.100 -0.330 0.000 0.966 29 T CB 1.610 70.377 68.868 -0.168 0.000 0.962 29 T HN 0.726 nan 8.240 nan 0.000 0.438 30 V N 3.914 123.456 119.914 -0.620 0.000 2.384 30 V HA 0.387 4.509 4.120 0.004 0.000 0.287 30 V C -1.113 174.707 176.094 -0.458 0.000 1.020 30 V CA -0.896 61.097 62.300 -0.511 0.000 0.850 30 V CB 0.758 32.156 31.823 -0.709 0.000 0.987 30 V HN 0.842 nan 8.190 nan 0.000 0.436 31 Y N 3.016 123.215 120.300 -0.168 0.000 2.385 31 Y HA 0.594 5.146 4.550 0.004 0.000 0.341 31 Y C 0.614 176.518 175.900 0.007 0.000 0.965 31 Y CA -0.054 57.998 58.100 -0.080 0.000 1.180 31 Y CB 1.790 40.208 38.460 -0.069 0.000 1.139 31 Y HN 0.629 nan 8.280 nan 0.000 0.502 32 T N 0.989 115.646 114.554 0.171 0.000 2.883 32 T HA 0.169 4.521 4.350 0.004 0.000 0.301 32 T C 0.274 175.145 174.700 0.285 0.000 1.158 32 T CA -0.738 61.510 62.100 0.246 0.000 1.007 32 T CB 1.066 70.121 68.868 0.313 0.000 1.186 32 T HN 0.673 nan 8.240 nan 0.000 0.499 33 D N 1.764 122.329 120.400 0.276 0.000 2.271 33 D HA 0.065 4.707 4.640 0.004 0.000 0.206 33 D C 0.816 177.251 176.300 0.225 0.000 0.967 33 D CA 0.282 54.430 54.000 0.247 0.000 0.867 33 D CB 0.151 41.118 40.800 0.278 0.000 0.960 33 D HN 0.312 nan 8.370 nan 0.000 0.509 34 R N 0.578 121.211 120.500 0.220 0.000 2.346 34 R HA 0.352 4.694 4.340 0.004 0.000 0.311 34 R C -0.389 176.020 176.300 0.182 0.000 0.983 34 R CA -0.612 55.549 56.100 0.102 0.000 0.880 34 R CB 1.091 31.323 30.300 -0.113 0.000 1.100 34 R HN -0.193 nan 8.270 nan 0.000 0.453 35 K N 4.797 125.163 120.400 -0.058 0.000 2.168 35 K HA 0.143 4.465 4.320 0.004 0.000 0.258 35 K C -1.796 174.832 176.600 0.046 0.000 1.010 35 K CA -1.701 54.419 56.287 -0.278 0.000 0.929 35 K CB 0.832 33.046 32.500 -0.476 0.000 0.998 35 K HN 0.417 nan 8.250 nan 0.000 0.479 36 P HA -0.193 nan 4.420 nan 0.000 0.216 36 P C -0.024 177.320 177.300 0.074 0.000 1.150 36 P CA 1.425 64.525 63.100 -0.000 0.000 0.837 36 P CB 0.044 31.663 31.700 -0.136 0.000 0.786 37 D N -1.400 119.009 120.400 0.016 0.000 2.319 37 D HA -0.049 4.593 4.640 0.004 0.000 0.230 37 D C 0.847 177.180 176.300 0.055 0.000 1.094 37 D CA 0.296 54.314 54.000 0.029 0.000 0.856 37 D CB -0.615 40.173 40.800 -0.021 0.000 0.915 37 D HN 0.216 nan 8.370 nan 0.000 0.517 38 E N -1.109 119.151 120.200 0.100 0.000 2.548 38 E HA 0.089 4.441 4.350 0.004 0.000 0.206 38 E C 0.235 176.864 176.600 0.048 0.000 1.005 38 E CA -0.240 56.183 56.400 0.039 0.000 0.951 38 E CB 0.156 29.837 29.700 -0.033 0.000 1.035 38 E HN 0.388 nan 8.360 nan 0.000 0.470 39 Y N 0.558 120.878 120.300 0.032 0.000 2.397 39 Y HA -0.136 4.417 4.550 0.004 0.000 0.292 39 Y C 2.749 178.723 175.900 0.122 0.000 1.115 39 Y CA 1.129 59.275 58.100 0.076 0.000 1.208 39 Y CB 0.426 38.939 38.460 0.088 0.000 1.046 39 Y HN 0.112 nan 8.280 nan 0.000 0.552 40 S N -1.013 114.842 115.700 0.260 0.000 2.419 40 S HA -0.136 4.336 4.470 0.004 0.000 0.235 40 S C 2.034 176.642 174.600 0.013 0.000 1.019 40 S CA 1.215 59.536 58.200 0.202 0.000 0.982 40 S CB -0.805 62.402 63.200 0.012 0.000 0.789 40 S HN 0.404 nan 8.310 nan 0.000 0.490 41 G N 0.545 109.340 108.800 -0.009 0.000 3.088 41 G HA2 0.403 4.365 3.960 0.004 0.000 0.217 41 G HA3 0.403 4.365 3.960 0.004 0.000 0.217 41 G C 0.292 175.173 174.900 -0.033 0.000 1.159 41 G CA -0.516 44.552 45.100 -0.054 0.000 0.760 41 G HN 0.433 nan 8.290 nan 0.000 0.550 42 L N 0.650 121.872 121.223 -0.003 0.000 2.439 42 L HA 0.274 4.617 4.340 0.004 0.000 0.269 42 L C 1.158 178.029 176.870 0.002 0.000 1.179 42 L CA -0.724 54.102 54.840 -0.022 0.000 0.828 42 L CB 0.725 42.755 42.059 -0.048 0.000 1.106 42 L HN 0.100 nan 8.230 nan 0.000 0.467 43 R N 1.866 122.352 120.500 -0.024 0.000 2.679 43 R HA 0.109 4.452 4.340 0.004 0.000 0.268 43 R C -0.311 175.984 176.300 -0.009 0.000 1.044 43 R CA -0.762 55.320 56.100 -0.031 0.000 1.105 43 R CB 0.451 30.723 30.300 -0.047 0.000 0.989 43 R HN 0.438 nan 8.270 nan 0.000 0.447 44 L N 5.094 126.303 121.223 -0.024 0.000 2.747 44 L HA -0.117 4.225 4.340 0.004 0.000 0.286 44 L C -0.394 176.467 176.870 -0.015 0.000 1.216 44 L CA 1.067 55.894 54.840 -0.022 0.000 0.930 44 L CB 0.076 42.095 42.059 -0.067 0.000 1.216 44 L HN 0.601 nan 8.230 nan 0.000 0.486 45 L N 3.371 124.602 121.223 0.014 0.000 2.822 45 L HA 0.266 4.608 4.340 0.004 0.000 0.153 45 L C 0.733 177.567 176.870 -0.060 0.000 1.695 45 L CA -0.737 54.120 54.840 0.028 0.000 2.336 45 L CB -0.171 41.984 42.059 0.160 0.000 2.854 45 L HN 0.591 nan 8.230 nan 0.000 0.610 46 N N 0.543 119.174 118.700 -0.115 0.000 2.406 46 N HA -0.016 4.726 4.740 0.004 0.000 0.265 46 N C 0.422 175.689 175.510 -0.405 0.000 1.203 46 N CA 0.284 53.195 53.050 -0.233 0.000 0.945 46 N CB 0.916 39.280 38.487 -0.204 0.000 1.165 46 N HN 0.379 nan 8.380 nan 0.000 0.485 47 T N 2.262 116.671 114.554 -0.242 0.000 3.160 47 T HA 0.006 4.358 4.350 0.004 0.000 0.257 47 T C 0.761 175.336 174.700 -0.207 0.000 1.147 47 T CA -0.022 61.946 62.100 -0.220 0.000 1.064 47 T CB -0.296 68.495 68.868 -0.128 0.000 0.949 47 T HN 0.264 nan 8.240 nan 0.000 0.526 48 V N 2.037 121.820 119.914 -0.218 0.000 2.740 48 V HA 0.599 4.721 4.120 0.004 0.000 0.303 48 V C 0.455 176.517 176.094 -0.053 0.000 1.054 48 V CA -0.401 61.835 62.300 -0.108 0.000 1.106 48 V CB 0.332 32.116 31.823 -0.064 0.000 0.957 48 V HN 0.469 nan 8.190 nan 0.000 0.486 49 A N 5.690 128.541 122.820 0.052 0.000 2.286 49 A HA 0.510 4.832 4.320 0.004 0.000 0.286 49 A C -0.093 177.638 177.584 0.246 0.000 1.097 49 A CA -0.438 51.679 52.037 0.134 0.000 0.821 49 A CB 0.218 19.364 19.000 0.243 0.000 1.076 49 A HN 1.036 nan 8.150 nan 0.000 0.490 50 H N 1.345 120.403 119.070 -0.020 0.000 2.517 50 H HA 0.198 4.756 4.556 0.004 0.000 0.317 50 H C -0.226 175.077 175.328 -0.041 0.000 1.080 50 H CA -0.769 55.268 56.048 -0.017 0.000 1.301 50 H CB 1.106 30.848 29.762 -0.034 0.000 1.425 50 H HN 0.866 nan 8.280 nan 0.000 0.471 51 N N 1.578 120.308 118.700 0.051 0.000 2.379 51 N HA 0.081 4.823 4.740 0.004 0.000 0.260 51 N C 1.104 176.591 175.510 -0.038 0.000 1.254 51 N CA -0.122 52.912 53.050 -0.027 0.000 0.958 51 N CB 0.569 39.032 38.487 -0.041 0.000 1.208 51 N HN 0.531 nan 8.380 nan 0.000 0.532 52 A N -0.006 122.769 122.820 -0.075 0.000 1.948 52 A HA -0.151 4.171 4.320 0.004 0.000 0.220 52 A C 2.018 179.585 177.584 -0.028 0.000 1.177 52 A CA 2.163 54.172 52.037 -0.047 0.000 0.636 52 A CB -1.244 17.729 19.000 -0.045 0.000 0.815 52 A HN 0.504 nan 8.150 nan 0.000 0.449 53 V N -0.688 119.191 119.914 -0.059 0.000 2.358 53 V HA -0.203 3.920 4.120 0.004 0.000 0.246 53 V C 2.644 178.720 176.094 -0.030 0.000 1.047 53 V CA 2.367 64.636 62.300 -0.052 0.000 1.035 53 V CB -1.488 30.285 31.823 -0.083 0.000 0.658 53 V HN 0.577 nan 8.190 nan 0.000 0.452 54 T N 0.290 114.843 114.554 -0.001 0.000 2.746 54 T HA -0.145 4.207 4.350 0.004 0.000 0.267 54 T C 1.997 176.774 174.700 0.128 0.000 1.039 54 T CA 1.581 63.718 62.100 0.063 0.000 1.142 54 T CB -0.234 68.639 68.868 0.007 0.000 0.866 54 T HN 0.283 nan 8.240 nan 0.000 0.444 55 V N 1.586 121.564 119.914 0.106 0.000 2.343 55 V HA -0.224 3.898 4.120 0.004 0.000 0.247 55 V C 2.642 178.783 176.094 0.078 0.000 1.051 55 V CA 1.633 64.004 62.300 0.120 0.000 1.036 55 V CB -0.675 31.196 31.823 0.081 0.000 0.654 55 V HN 0.521 nan 8.190 nan 0.000 0.451 56 Q N -0.429 119.386 119.800 0.025 0.000 2.096 56 Q HA -0.230 4.113 4.340 0.004 0.000 0.204 56 Q C 2.508 178.480 176.000 -0.047 0.000 0.982 56 Q CA 1.669 57.465 55.803 -0.012 0.000 0.850 56 Q CB -0.199 28.512 28.738 -0.045 0.000 0.901 56 Q HN 0.597 nan 8.270 nan 0.000 0.422 57 R N 0.498 120.946 120.500 -0.087 0.000 2.096 57 R HA -0.136 4.207 4.340 0.004 0.000 0.235 57 R C 2.042 178.396 176.300 0.089 0.000 1.127 57 R CA 1.319 57.350 56.100 -0.115 0.000 0.968 57 R CB -0.048 30.209 30.300 -0.072 0.000 0.861 57 R HN 0.329 nan 8.270 nan 0.000 0.440 58 E N 0.025 120.285 120.200 0.100 0.000 2.106 58 E HA -0.145 4.207 4.350 0.004 0.000 0.192 58 E C 1.994 178.646 176.600 0.088 0.000 0.984 58 E CA 1.235 57.696 56.400 0.101 0.000 0.806 58 E CB 0.044 29.867 29.700 0.205 0.000 0.750 58 E HN 0.084 nan 8.360 nan 0.000 0.458 59 V N 1.365 121.329 119.914 0.083 0.000 2.295 59 V HA -0.275 3.847 4.120 0.004 0.000 0.246 59 V C 2.317 178.458 176.094 0.079 0.000 1.049 59 V CA 1.889 64.230 62.300 0.068 0.000 1.024 59 V CB -0.686 31.172 31.823 0.058 0.000 0.648 59 V HN 0.334 nan 8.190 nan 0.000 0.447 60 A N -0.558 122.329 122.820 0.110 0.000 1.972 60 A HA -0.089 4.233 4.320 0.004 0.000 0.219 60 A C 2.059 179.763 177.584 0.200 0.000 1.169 60 A CA 1.465 53.613 52.037 0.184 0.000 0.635 60 A CB -0.459 18.718 19.000 0.293 0.000 0.810 60 A HN 0.531 nan 8.150 nan 0.000 0.446 61 L N -0.935 120.404 121.223 0.193 0.000 2.591 61 L HA 0.031 4.373 4.340 0.004 0.000 0.228 61 L C 0.474 177.364 176.870 0.034 0.000 1.133 61 L CA 0.371 55.281 54.840 0.117 0.000 0.880 61 L CB -0.253 41.867 42.059 0.102 0.000 1.033 61 L HN 0.394 nan 8.230 nan 0.000 0.450 62 D N 0.408 120.828 120.400 0.033 0.000 2.772 62 D HA -0.152 4.491 4.640 0.004 0.000 0.233 62 D C 0.452 176.739 176.300 -0.022 0.000 1.143 62 D CA 0.969 54.970 54.000 0.002 0.000 0.700 62 D CB -0.740 40.051 40.800 -0.014 0.000 1.076 62 D HN 0.227 nan 8.370 nan 0.000 0.430 63 V N -1.869 118.039 119.914 -0.011 0.000 2.988 63 V HA 0.389 4.512 4.120 0.004 0.000 0.356 63 V C 0.736 176.828 176.094 -0.005 0.000 1.380 63 V CA -0.397 61.881 62.300 -0.037 0.000 1.184 63 V CB 0.474 32.269 31.823 -0.048 0.000 1.204 63 V HN 0.165 nan 8.190 nan 0.000 0.530 64 N N 2.065 120.770 118.700 0.008 0.000 3.193 64 N HA 0.073 4.816 4.740 0.004 0.000 0.312 64 N C 1.230 176.708 175.510 -0.052 0.000 1.261 64 N CA 0.241 53.315 53.050 0.040 0.000 1.208 64 N CB 0.338 38.861 38.487 0.060 0.000 1.471 64 N HN 0.650 nan 8.380 nan 0.000 0.548 65 E N 1.067 121.152 120.200 -0.192 0.000 2.077 65 E HA -0.070 4.282 4.350 0.004 0.000 0.193 65 E C -0.351 175.884 176.600 -0.609 0.000 0.989 65 E CA 1.250 57.304 56.400 -0.576 0.000 0.800 65 E CB 0.143 29.153 29.700 -1.150 0.000 0.746 65 E HN 0.392 nan 8.360 nan 0.000 0.452 66 W N 1.632 122.908 121.300 -0.041 0.000 2.363 66 W HA 0.346 5.009 4.660 0.004 0.000 0.314 66 W C -2.382 174.233 176.519 0.159 0.000 0.994 66 W CA -2.564 54.703 57.345 -0.129 0.000 1.449 66 W CB 0.603 29.724 29.460 -0.564 0.000 1.248 66 W HN -0.040 nan 8.180 nan 0.000 0.409 67 P HA -0.046 nan 4.420 nan 0.000 0.265 67 P C 1.213 178.709 177.300 0.325 0.000 1.193 67 P CA 0.737 64.029 63.100 0.319 0.000 0.765 67 P CB 0.850 32.699 31.700 0.247 0.000 0.823 68 S N 1.526 117.334 115.700 0.180 0.000 2.423 68 S HA -0.198 4.275 4.470 0.004 0.000 0.231 68 S C 1.689 176.302 174.600 0.021 0.000 1.014 68 S CA 1.096 59.340 58.200 0.072 0.000 0.965 68 S CB -0.658 62.539 63.200 -0.004 0.000 0.785 68 S HN 0.440 nan 8.310 nan 0.000 0.495 69 E N 1.561 121.826 120.200 0.108 0.000 2.208 69 E HA -0.050 4.302 4.350 0.004 0.000 0.193 69 E C 1.911 178.615 176.600 0.174 0.000 0.988 69 E CA 1.128 57.644 56.400 0.193 0.000 0.828 69 E CB -0.186 29.624 29.700 0.184 0.000 0.763 69 E HN 0.623 nan 8.360 nan 0.000 0.478 70 E N -1.465 118.772 120.200 0.061 0.000 2.166 70 E HA 0.058 4.410 4.350 0.004 0.000 0.192 70 E C 0.748 177.138 176.600 -0.350 0.000 0.967 70 E CA 0.758 57.054 56.400 -0.174 0.000 0.840 70 E CB -0.078 29.423 29.700 -0.331 0.000 0.795 70 E HN 0.320 nan 8.360 nan 0.000 0.470 71 F N -0.821 119.177 119.950 0.079 0.000 2.706 71 F HA 0.452 4.982 4.527 0.004 0.000 0.308 71 F C 1.209 176.995 175.800 -0.023 0.000 1.095 71 F CA 0.103 58.131 58.000 0.047 0.000 1.244 71 F CB 0.676 39.721 39.000 0.076 0.000 1.063 71 F HN 0.018 nan 8.300 nan 0.000 0.582 72 G N -0.571 108.235 108.800 0.010 0.000 2.568 72 G HA2 0.431 4.394 3.960 0.004 0.000 0.293 72 G HA3 0.431 4.394 3.960 0.004 0.000 0.293 72 G C -1.430 173.241 174.900 -0.381 0.000 1.347 72 G CA -0.367 44.618 45.100 -0.192 0.000 1.039 72 G HN 0.181 nan 8.290 nan 0.000 0.523 73 Y N -3.415 116.593 120.300 -0.487 0.000 2.562 73 Y HA 0.721 5.274 4.550 0.004 0.000 0.343 73 Y C -0.382 175.171 175.900 -0.577 0.000 1.025 73 Y CA -1.669 56.139 58.100 -0.486 0.000 1.082 73 Y CB 1.603 39.995 38.460 -0.114 0.000 1.264 73 Y HN 0.248 nan 8.280 nan 0.000 0.478 74 F N 0.693 120.781 119.950 0.228 0.000 2.706 74 F HA 0.669 5.199 4.527 0.004 0.000 0.313 74 F C 0.848 176.720 175.800 0.120 0.000 1.096 74 F CA -0.005 58.063 58.000 0.114 0.000 1.219 74 F CB 1.249 40.320 39.000 0.120 0.000 1.051 74 F HN 0.938 nan 8.300 nan 0.000 0.568 75 G N -1.114 107.873 108.800 0.313 0.000 2.428 75 G HA2 0.366 4.329 3.960 0.004 0.000 0.304 75 G HA3 0.366 4.329 3.960 0.004 0.000 0.304 75 G C -2.012 172.901 174.900 0.022 0.000 1.303 75 G CA -0.838 44.260 45.100 -0.003 0.000 0.825 75 G HN 0.159 nan 8.290 nan 0.000 0.484 76 H N -0.498 118.339 119.070 -0.388 0.000 2.539 76 H HA 0.444 5.003 4.556 0.004 0.000 0.332 76 H C -1.060 173.917 175.328 -0.584 0.000 1.031 76 H CA -0.516 55.231 56.048 -0.502 0.000 1.206 76 H CB 1.838 31.146 29.762 -0.757 0.000 1.446 76 H HN 0.380 nan 8.280 nan 0.000 0.496 77 Y N 1.965 122.192 120.300 -0.123 0.000 2.309 77 Y HA 0.097 4.649 4.550 0.004 0.000 0.327 77 Y C -0.431 175.209 175.900 -0.434 0.000 1.172 77 Y CA 0.075 58.134 58.100 -0.068 0.000 1.280 77 Y CB 0.500 38.987 38.460 0.044 0.000 1.234 77 Y HN 0.535 nan 8.280 nan 0.000 0.512 78 Y N 2.544 122.788 120.300 -0.093 0.000 2.350 78 Y HA 0.344 4.896 4.550 0.004 0.000 0.338 78 Y C -0.995 174.805 175.900 -0.166 0.000 0.961 78 Y CA -1.207 56.700 58.100 -0.323 0.000 1.100 78 Y CB 1.192 39.019 38.460 -1.055 0.000 1.179 78 Y HN 0.524 nan 8.280 nan 0.000 0.454 79 Y N 3.541 123.882 120.300 0.067 0.000 2.376 79 Y HA 0.683 5.235 4.550 0.004 0.000 0.340 79 Y C -1.573 174.454 175.900 0.212 0.000 0.965 79 Y CA -1.221 56.949 58.100 0.117 0.000 1.078 79 Y CB 1.609 40.126 38.460 0.095 0.000 1.193 79 Y HN 0.424 nan 8.280 nan 0.000 0.452 80 V N 7.190 126.903 119.914 -0.334 0.000 2.482 80 V HA 0.810 4.933 4.120 0.004 0.000 0.295 80 V C 0.004 175.843 176.094 -0.425 0.000 1.026 80 V CA 0.173 62.419 62.300 -0.090 0.000 0.856 80 V CB 0.863 32.813 31.823 0.210 0.000 1.001 80 V HN 1.011 nan 8.190 nan 0.000 0.424 81 G N 4.228 112.876 108.800 -0.253 0.000 2.485 81 G HA2 0.715 4.678 3.960 0.004 0.000 0.260 81 G HA3 0.715 4.678 3.960 0.004 0.000 0.260 81 G C 0.556 175.380 174.900 -0.127 0.000 1.459 81 G CA 0.102 45.099 45.100 -0.171 0.000 1.060 81 G HN 2.251 nan 8.290 nan 0.000 0.546 82 G N -1.917 106.834 108.800 -0.082 0.000 2.592 82 G HA2 0.030 3.992 3.960 0.004 0.000 0.684 82 G HA3 0.030 3.992 3.960 0.004 0.000 0.684 82 G C -1.513 173.360 174.900 -0.045 0.000 1.291 82 G CA 0.079 45.142 45.100 -0.061 0.000 0.891 82 G HN 0.573 nan 8.290 nan 0.000 0.544 83 P HA 0.002 nan 4.420 nan 0.000 0.216 83 P C 0.819 178.106 177.300 -0.022 0.000 1.150 83 P CA 1.665 64.749 63.100 -0.027 0.000 0.837 83 P CB 0.215 31.903 31.700 -0.020 0.000 0.786 84 Q N 0.454 120.239 119.800 -0.025 0.000 2.506 84 Q HA 0.267 4.609 4.340 0.004 0.000 0.242 84 Q C -2.534 173.437 176.000 -0.048 0.000 1.060 84 Q CA -2.774 53.014 55.803 -0.025 0.000 0.826 84 Q CB 0.255 28.980 28.738 -0.020 0.000 1.169 84 Q HN 0.085 nan 8.270 nan 0.000 0.521 85 P HA 0.171 nan 4.420 nan 0.000 0.274 85 P C -0.754 176.471 177.300 -0.126 0.000 1.231 85 P CA -0.068 62.929 63.100 -0.172 0.000 0.790 85 P CB 0.869 32.489 31.700 -0.133 0.000 0.951 86 M N 2.401 121.896 119.600 -0.175 0.000 2.294 86 M HA 0.398 4.880 4.480 0.004 0.000 0.335 86 M C 0.333 176.698 176.300 0.109 0.000 1.079 86 M CA -0.266 55.053 55.300 0.032 0.000 0.982 86 M CB 2.104 34.783 32.600 0.131 0.000 1.651 86 M HN 0.172 nan 8.290 nan 0.000 0.437 87 R N 3.722 124.374 120.500 0.253 0.000 2.451 87 R HA 0.714 5.056 4.340 0.004 0.000 0.307 87 R C -1.399 175.165 176.300 0.438 0.000 0.965 87 R CA -0.332 55.947 56.100 0.299 0.000 0.865 87 R CB 1.351 31.808 30.300 0.262 0.000 1.174 87 R HN 0.675 nan 8.270 nan 0.000 0.455 88 F N 0.125 120.241 119.950 0.277 0.000 2.745 88 F HA 0.611 5.140 4.527 0.004 0.000 0.316 88 F C -1.744 174.316 175.800 0.433 0.000 1.155 88 F CA -1.440 56.728 58.000 0.280 0.000 0.937 88 F CB 1.310 40.398 39.000 0.145 0.000 1.361 88 F HN 0.330 nan 8.300 nan 0.000 0.472 89 Y N 0.180 120.688 120.300 0.348 0.000 2.524 89 Y HA 0.775 5.327 4.550 0.004 0.000 0.347 89 Y C -0.867 175.192 175.900 0.264 0.000 1.005 89 Y CA -1.084 57.097 58.100 0.135 0.000 1.025 89 Y CB 2.472 40.848 38.460 -0.141 0.000 1.275 89 Y HN 1.039 nan 8.280 nan 0.000 0.460 90 G N 3.905 112.368 108.800 -0.561 0.000 2.617 90 G HA2 0.366 4.329 3.960 0.004 0.000 0.306 90 G HA3 0.366 4.329 3.960 0.004 0.000 0.306 90 G C -1.762 172.659 174.900 -0.799 0.000 1.360 90 G CA -0.778 44.107 45.100 -0.357 0.000 0.983 90 G HN 0.560 nan 8.290 nan 0.000 0.496 91 D N 0.740 120.926 120.400 -0.357 0.000 2.255 91 D HA 0.297 4.939 4.640 0.004 0.000 0.249 91 D C 0.264 176.500 176.300 -0.107 0.000 1.078 91 D CA 0.131 54.033 54.000 -0.163 0.000 0.896 91 D CB 2.157 42.999 40.800 0.071 0.000 1.194 91 D HN 0.106 nan 8.370 nan 0.000 0.429 92 L N 2.427 123.602 121.223 -0.080 0.000 2.350 92 L HA 0.213 4.556 4.340 0.004 0.000 0.275 92 L C 1.885 178.779 176.870 0.040 0.000 1.099 92 L CA -0.454 54.355 54.840 -0.052 0.000 0.808 92 L CB 1.161 43.157 42.059 -0.105 0.000 1.149 92 L HN 0.220 nan 8.230 nan 0.000 0.442 93 K N 1.973 122.405 120.400 0.054 0.000 2.097 93 K HA 0.058 4.381 4.320 0.004 0.000 0.205 93 K C 0.352 177.001 176.600 0.081 0.000 1.050 93 K CA 1.038 57.373 56.287 0.080 0.000 0.938 93 K CB 0.102 32.659 32.500 0.095 0.000 0.718 93 K HN 0.696 nan 8.250 nan 0.000 0.442 94 A N 1.585 124.438 122.820 0.056 0.000 2.475 94 A HA 0.436 4.758 4.320 0.004 0.000 0.301 94 A C -2.713 174.863 177.584 -0.014 0.000 1.059 94 A CA -1.758 50.311 52.037 0.053 0.000 0.710 94 A CB 1.073 20.097 19.000 0.041 0.000 1.288 94 A HN -0.135 nan 8.150 nan 0.000 0.408 95 P HA 0.188 nan 4.420 nan 0.000 0.268 95 P C -0.114 176.980 177.300 -0.343 0.000 1.205 95 P CA 0.376 63.319 63.100 -0.262 0.000 0.771 95 P CB 0.847 32.331 31.700 -0.361 0.000 0.858 96 S N 2.038 117.359 115.700 -0.632 0.000 2.713 96 S HA 0.604 5.076 4.470 0.004 0.000 0.283 96 S C 0.083 174.246 174.600 -0.728 0.000 1.161 96 S CA -0.636 57.182 58.200 -0.636 0.000 0.999 96 S CB 1.069 63.855 63.200 -0.691 0.000 1.039 96 S HN 0.472 nan 8.310 nan 0.000 0.548 97 R N 0.508 120.815 120.500 -0.321 0.000 2.535 97 R HA 0.564 4.906 4.340 0.004 0.000 0.274 97 R C -2.083 174.197 176.300 -0.033 0.000 1.090 97 R CA -0.510 55.514 56.100 -0.126 0.000 0.930 97 R CB 1.440 31.703 30.300 -0.061 0.000 1.223 97 R HN 0.729 nan 8.270 nan 0.000 0.441 98 A N 3.948 126.781 122.820 0.022 0.000 2.304 98 A HA 0.633 4.956 4.320 0.004 0.000 0.314 98 A C -1.077 176.398 177.584 -0.181 0.000 1.187 98 A CA -0.551 51.438 52.037 -0.079 0.000 0.810 98 A CB 1.561 20.556 19.000 -0.009 0.000 1.183 98 A HN 0.339 nan 8.150 nan 0.000 0.487 99 V N 2.860 122.588 119.914 -0.309 0.000 2.531 99 V HA 0.222 4.344 4.120 0.004 0.000 0.301 99 V C -0.230 175.690 176.094 -0.290 0.000 1.034 99 V CA -0.841 61.221 62.300 -0.398 0.000 0.865 99 V CB 1.810 33.283 31.823 -0.583 0.000 0.995 99 V HN 0.993 nan 8.190 nan 0.000 0.424 100 D N 2.941 123.151 120.400 -0.316 0.000 2.662 100 D HA -0.141 4.502 4.640 0.004 0.000 0.233 100 D C 0.633 176.907 176.300 -0.043 0.000 1.129 100 D CA 0.626 54.484 54.000 -0.237 0.000 0.851 100 D CB 0.507 41.046 40.800 -0.435 0.000 1.152 100 D HN 0.506 nan 8.370 nan 0.000 0.507 101 Y N 3.612 123.849 120.300 -0.105 0.000 2.403 101 Y HA -0.128 4.425 4.550 0.004 0.000 0.291 101 Y C 2.228 178.178 175.900 0.082 0.000 1.143 101 Y CA 0.885 59.016 58.100 0.051 0.000 1.257 101 Y CB -0.053 38.475 38.460 0.114 0.000 0.984 101 Y HN 0.481 nan 8.280 nan 0.000 0.550 102 R N -0.791 119.822 120.500 0.189 0.000 2.235 102 R HA -0.050 4.292 4.340 0.004 0.000 0.213 102 R C 1.706 178.048 176.300 0.071 0.000 1.059 102 R CA 0.851 57.092 56.100 0.236 0.000 0.997 102 R CB -0.111 30.372 30.300 0.305 0.000 0.884 102 R HN 0.337 nan 8.270 nan 0.000 0.462 103 L N -1.992 119.165 121.223 -0.109 0.000 2.362 103 L HA 0.044 4.386 4.340 0.004 0.000 0.204 103 L C 1.999 178.876 176.870 0.012 0.000 1.060 103 L CA 0.299 55.074 54.840 -0.109 0.000 0.827 103 L CB -0.297 41.541 42.059 -0.368 0.000 1.027 103 L HN 0.061 nan 8.230 nan 0.000 0.474 104 Y N 1.014 121.217 120.300 -0.161 0.000 2.184 104 Y HA -0.194 4.358 4.550 0.004 0.000 0.290 104 Y C 2.744 178.579 175.900 -0.109 0.000 1.129 104 Y CA 1.443 59.518 58.100 -0.042 0.000 1.144 104 Y CB 0.066 38.446 38.460 -0.133 0.000 0.995 104 Y HN 0.096 nan 8.280 nan 0.000 0.513 105 Q N 0.018 119.643 119.800 -0.291 0.000 2.050 105 Q HA -0.106 4.237 4.340 0.004 0.000 0.202 105 Q C -0.319 175.373 176.000 -0.514 0.000 0.980 105 Q CA 1.867 57.387 55.803 -0.473 0.000 0.840 105 Q CB -1.929 26.535 28.738 -0.458 0.000 0.898 105 Q HN 0.422 nan 8.270 nan 0.000 0.424 106 P HA -0.140 nan 4.420 nan 0.000 0.218 106 P C 1.533 178.698 177.300 -0.226 0.000 1.148 106 P CA 1.053 63.919 63.100 -0.389 0.000 0.822 106 P CB -0.202 31.343 31.700 -0.259 0.000 0.784 107 M N -0.725 118.770 119.600 -0.175 0.000 2.080 107 M HA -0.142 4.340 4.480 0.004 0.000 0.260 107 M C 1.829 178.005 176.300 -0.205 0.000 1.068 107 M CA 1.937 57.144 55.300 -0.156 0.000 1.109 107 M CB -1.202 31.345 32.600 -0.087 0.000 1.342 107 M HN -0.066 nan 8.290 nan 0.000 0.405 108 L N -0.537 120.514 121.223 -0.285 0.000 2.093 108 L HA -0.232 4.111 4.340 0.004 0.000 0.208 108 L C 2.581 179.413 176.870 -0.063 0.000 1.085 108 L CA 1.094 55.815 54.840 -0.198 0.000 0.755 108 L CB -0.598 41.319 42.059 -0.237 0.000 0.904 108 L HN 0.343 nan 8.230 nan 0.000 0.435 109 M N -0.826 118.723 119.600 -0.086 0.000 2.117 109 M HA -0.183 4.299 4.480 0.004 0.000 0.262 109 M C 2.425 178.672 176.300 -0.089 0.000 1.065 109 M CA 1.731 57.009 55.300 -0.036 0.000 1.114 109 M CB -0.347 32.111 32.600 -0.236 0.000 1.361 109 M HN 0.116 nan 8.290 nan 0.000 0.408 110 R N 0.025 120.453 120.500 -0.121 0.000 2.115 110 R HA -0.015 4.327 4.340 0.004 0.000 0.230 110 R C 2.335 178.611 176.300 -0.040 0.000 1.111 110 R CA 1.256 57.301 56.100 -0.091 0.000 0.976 110 R CB -0.394 29.847 30.300 -0.097 0.000 0.870 110 R HN 0.362 nan 8.270 nan 0.000 0.445 111 A N 1.075 123.869 122.820 -0.043 0.000 1.930 111 A HA -0.127 4.195 4.320 0.004 0.000 0.217 111 A C 2.021 179.616 177.584 0.019 0.000 1.175 111 A CA 0.881 52.900 52.037 -0.030 0.000 0.627 111 A CB -0.327 18.638 19.000 -0.059 0.000 0.815 111 A HN 0.212 nan 8.150 nan 0.000 0.443 112 L N 0.070 121.340 121.223 0.079 0.000 2.056 112 L HA -0.089 4.254 4.340 0.004 0.000 0.207 112 L C 2.223 179.196 176.870 0.172 0.000 1.078 112 L CA 2.540 57.458 54.840 0.130 0.000 0.749 112 L CB -0.645 41.536 42.059 0.204 0.000 0.901 112 L HN 0.580 nan 8.230 nan 0.000 0.433 113 E N -0.603 119.757 120.200 0.266 0.000 2.077 113 E HA -0.227 4.126 4.350 0.004 0.000 0.193 113 E C 2.011 178.668 176.600 0.093 0.000 0.989 113 E CA 1.092 57.628 56.400 0.226 0.000 0.800 113 E CB -0.121 29.669 29.700 0.151 0.000 0.746 113 E HN 0.607 nan 8.360 nan 0.000 0.452 114 A N 0.721 123.570 122.820 0.049 0.000 2.067 114 A HA -0.082 4.240 4.320 0.004 0.000 0.219 114 A C 1.912 179.501 177.584 0.008 0.000 1.158 114 A CA 0.858 52.905 52.037 0.016 0.000 0.661 114 A CB -0.178 18.818 19.000 -0.006 0.000 0.801 114 A HN 0.122 nan 8.150 nan 0.000 0.452 115 R N -1.708 118.799 120.500 0.011 0.000 2.359 115 R HA 0.278 4.620 4.340 0.004 0.000 0.231 115 R C 1.073 177.368 176.300 -0.008 0.000 0.913 115 R CA 0.559 56.654 56.100 -0.007 0.000 1.075 115 R CB 0.258 30.547 30.300 -0.019 0.000 1.087 115 R HN 0.601 nan 8.270 nan 0.000 0.515 116 G N -0.176 108.629 108.800 0.008 0.000 2.184 116 G HA2 -0.205 3.758 3.960 0.004 0.000 0.206 116 G HA3 -0.205 3.758 3.960 0.004 0.000 0.206 116 G C 0.357 175.252 174.900 -0.009 0.000 0.995 116 G CA -0.470 44.631 45.100 0.000 0.000 0.651 116 G HN 0.455 nan 8.290 nan 0.000 0.511 117 G N 0.931 109.726 108.800 -0.008 0.000 2.378 117 G HA2 0.472 4.434 3.960 0.004 0.000 0.255 117 G HA3 0.472 4.434 3.960 0.004 0.000 0.255 117 G C 0.126 174.977 174.900 -0.082 0.000 1.270 117 G CA -0.096 44.957 45.100 -0.078 0.000 0.876 117 G HN 0.238 nan 8.290 nan 0.000 0.521 118 K N 1.640 121.929 120.400 -0.186 0.000 2.143 118 K HA 0.361 4.683 4.320 0.004 0.000 0.272 118 K C -1.060 175.296 176.600 -0.407 0.000 1.001 118 K CA -0.285 55.904 56.287 -0.162 0.000 0.915 118 K CB 1.757 34.181 32.500 -0.128 0.000 1.047 118 K HN 0.368 nan 8.250 nan 0.000 0.458 119 F N 0.613 120.390 119.950 -0.288 0.000 2.467 119 F HA 0.214 4.743 4.527 0.004 0.000 0.336 119 F C 0.153 175.569 175.800 -0.639 0.000 1.123 119 F CA -0.831 56.847 58.000 -0.537 0.000 0.964 119 F CB 1.431 40.009 39.000 -0.703 0.000 1.136 119 F HN 0.379 nan 8.300 nan 0.000 0.447 120 C N 5.710 124.672 119.300 -0.563 0.000 2.264 120 C HA 0.465 4.928 4.460 0.004 0.000 0.322 120 C C -0.576 174.241 174.990 -0.288 0.000 1.210 120 C CA -0.864 57.895 59.018 -0.431 0.000 1.539 120 C CB -1.448 25.931 27.740 -0.603 0.000 2.167 120 C HN 0.687 nan 8.230 nan 0.000 0.463 121 Y N 4.500 124.838 120.300 0.063 0.000 2.568 121 Y HA 0.395 4.947 4.550 0.004 0.000 0.338 121 Y C 0.795 176.740 175.900 0.075 0.000 1.245 121 Y CA 0.344 58.496 58.100 0.087 0.000 1.667 121 Y CB -0.219 38.283 38.460 0.071 0.000 1.568 121 Y HN 0.655 nan 8.280 nan 0.000 0.471 122 D N 0.970 121.481 120.400 0.185 0.000 2.837 122 D HA 0.478 5.120 4.640 0.004 0.000 0.220 122 D C -1.181 175.147 176.300 0.045 0.000 1.236 122 D CA -0.667 53.405 54.000 0.120 0.000 0.838 122 D CB 1.995 42.874 40.800 0.131 0.000 1.647 122 D HN 0.352 nan 8.370 nan 0.000 0.486 123 A N 2.179 124.942 122.820 -0.094 0.000 2.409 123 A HA 0.488 4.810 4.320 0.004 0.000 0.267 123 A C -0.259 177.098 177.584 -0.378 0.000 1.127 123 A CA -0.221 51.562 52.037 -0.423 0.000 0.795 123 A CB 0.593 19.181 19.000 -0.686 0.000 1.061 123 A HN 0.279 nan 8.150 nan 0.000 0.502 124 V N 3.545 123.231 119.914 -0.381 0.000 2.417 124 V HA 0.533 4.656 4.120 0.004 0.000 0.291 124 V C 0.524 176.509 176.094 -0.181 0.000 1.024 124 V CA 0.036 62.206 62.300 -0.217 0.000 0.861 124 V CB 1.306 33.045 31.823 -0.141 0.000 0.985 124 V HN 1.140 nan 8.190 nan 0.000 0.436 125 S N 3.929 119.562 115.700 -0.113 0.000 2.766 125 S HA 0.759 5.231 4.470 0.004 0.000 0.307 125 S C 1.266 175.857 174.600 -0.015 0.000 1.121 125 S CA -0.030 58.160 58.200 -0.016 0.000 0.980 125 S CB 1.810 65.013 63.200 0.005 0.000 1.159 125 S HN 0.942 nan 8.310 nan 0.000 0.546 126 A N 0.786 123.610 122.820 0.007 0.000 1.940 126 A HA -0.141 4.181 4.320 0.004 0.000 0.219 126 A C 2.077 179.642 177.584 -0.032 0.000 1.176 126 A CA 1.807 53.836 52.037 -0.013 0.000 0.631 126 A CB -1.349 17.646 19.000 -0.008 0.000 0.814 126 A HN 0.992 nan 8.150 nan 0.000 0.446 127 E N -0.540 119.644 120.200 -0.026 0.000 2.268 127 E HA -0.188 4.164 4.350 0.004 0.000 0.195 127 E C 0.555 177.130 176.600 -0.041 0.000 0.995 127 E CA 1.189 57.571 56.400 -0.030 0.000 0.836 127 E CB -0.321 29.367 29.700 -0.021 0.000 0.763 127 E HN 0.519 nan 8.360 nan 0.000 0.491 128 D N 0.935 121.302 120.400 -0.055 0.000 2.323 128 D HA 0.027 4.669 4.640 0.004 0.000 0.209 128 D C 2.042 178.291 176.300 -0.085 0.000 0.973 128 D CA 0.322 54.277 54.000 -0.074 0.000 0.874 128 D CB 0.104 40.843 40.800 -0.101 0.000 0.930 128 D HN 0.265 nan 8.370 nan 0.000 0.521 129 L N 0.813 121.990 121.223 -0.075 0.000 2.083 129 L HA -0.149 4.193 4.340 0.004 0.000 0.209 129 L C 2.476 179.313 176.870 -0.055 0.000 1.083 129 L CA 1.119 55.915 54.840 -0.074 0.000 0.752 129 L CB -0.258 41.761 42.059 -0.066 0.000 0.899 129 L HN 0.001 nan 8.230 nan 0.000 0.433 130 E N 0.170 120.342 120.200 -0.047 0.000 2.072 130 E HA -0.177 4.175 4.350 0.004 0.000 0.191 130 E C 2.185 178.769 176.600 -0.027 0.000 0.985 130 E CA 1.101 57.481 56.400 -0.033 0.000 0.801 130 E CB -0.122 29.559 29.700 -0.031 0.000 0.750 130 E HN 0.458 nan 8.360 nan 0.000 0.452 131 G N 0.963 109.743 108.800 -0.033 0.000 2.402 131 G HA2 -0.219 3.743 3.960 0.004 0.000 0.216 131 G HA3 -0.219 3.743 3.960 0.004 0.000 0.216 131 G C 1.540 176.426 174.900 -0.022 0.000 1.162 131 G CA 0.524 45.607 45.100 -0.029 0.000 0.777 131 G HN 0.191 nan 8.290 nan 0.000 0.539 132 L N 1.592 122.796 121.223 -0.032 0.000 2.217 132 L HA -0.047 4.296 4.340 0.004 0.000 0.211 132 L C 3.211 180.142 176.870 0.101 0.000 1.107 132 L CA 1.238 56.087 54.840 0.015 0.000 0.783 132 L CB -0.296 41.692 42.059 -0.118 0.000 0.919 132 L HN 0.416 nan 8.230 nan 0.000 0.442 133 S N -0.677 115.046 115.700 0.039 0.000 2.423 133 S HA -0.166 4.307 4.470 0.004 0.000 0.231 133 S C 1.595 176.224 174.600 0.049 0.000 1.014 133 S CA 0.893 59.124 58.200 0.051 0.000 0.965 133 S CB -0.220 62.990 63.200 0.018 0.000 0.785 133 S HN 0.501 nan 8.310 nan 0.000 0.495 134 E N 0.555 120.765 120.200 0.017 0.000 2.478 134 E HA 0.093 4.445 4.350 0.004 0.000 0.194 134 E C 1.992 178.563 176.600 -0.049 0.000 1.045 134 E CA 0.183 56.578 56.400 -0.009 0.000 0.868 134 E CB 0.015 29.704 29.700 -0.018 0.000 0.885 134 E HN 0.664 nan 8.360 nan 0.000 0.505 135 Q N -0.634 119.121 119.800 -0.077 0.000 2.376 135 Q HA 0.043 4.385 4.340 0.004 0.000 0.206 135 Q C -0.288 175.402 176.000 -0.517 0.000 0.921 135 Q CA 0.606 56.234 55.803 -0.292 0.000 0.911 135 Q CB 0.544 29.067 28.738 -0.358 0.000 1.032 135 Q HN 0.189 nan 8.270 nan 0.000 0.510 136 Y N -1.033 119.262 120.300 -0.007 0.000 2.602 136 Y HA 0.167 4.720 4.550 0.004 0.000 0.342 136 Y C 0.640 176.531 175.900 -0.015 0.000 1.029 136 Y CA -1.130 56.963 58.100 -0.011 0.000 1.080 136 Y CB 1.156 39.606 38.460 -0.017 0.000 1.284 136 Y HN -0.169 nan 8.280 nan 0.000 0.485 137 D N 0.445 120.938 120.400 0.155 0.000 2.183 137 D HA -0.020 4.622 4.640 0.004 0.000 0.203 137 D C -0.342 175.987 176.300 0.048 0.000 0.969 137 D CA 1.539 55.608 54.000 0.116 0.000 0.842 137 D CB 0.431 41.324 40.800 0.156 0.000 0.957 137 D HN 0.200 nan 8.370 nan 0.000 0.484 138 L N 0.389 121.563 121.223 -0.082 0.000 2.493 138 L HA 0.374 4.716 4.340 0.004 0.000 0.265 138 L C -1.846 174.943 176.870 -0.136 0.000 0.954 138 L CA -0.867 53.837 54.840 -0.227 0.000 0.844 138 L CB 2.121 43.749 42.059 -0.718 0.000 1.302 138 L HN -0.254 nan 8.230 nan 0.000 0.405 139 L N 5.633 126.811 121.223 -0.074 0.000 2.282 139 L HA 0.752 5.094 4.340 0.004 0.000 0.288 139 L C -1.107 175.735 176.870 -0.047 0.000 1.033 139 L CA -0.179 54.616 54.840 -0.076 0.000 0.807 139 L CB 1.647 43.689 42.059 -0.029 0.000 1.209 139 L HN 0.441 nan 8.230 nan 0.000 0.423 140 V N 5.775 125.646 119.914 -0.071 0.000 2.448 140 V HA 0.522 4.645 4.120 0.004 0.000 0.295 140 V C -0.541 175.548 176.094 -0.010 0.000 1.025 140 V CA -0.749 61.535 62.300 -0.026 0.000 0.859 140 V CB 1.816 33.605 31.823 -0.057 0.000 0.988 140 V HN 0.552 nan 8.190 nan 0.000 0.431 141 V N 6.011 125.948 119.914 0.037 0.000 2.448 141 V HA 0.493 4.616 4.120 0.004 0.000 0.295 141 V C 0.524 176.603 176.094 -0.025 0.000 1.025 141 V CA 0.046 62.372 62.300 0.044 0.000 0.859 141 V CB 1.396 33.307 31.823 0.146 0.000 0.988 141 V HN 1.177 nan 8.190 nan 0.000 0.431 142 C N 2.120 121.416 119.300 -0.008 0.000 3.642 142 C HA 0.445 4.908 4.460 0.004 0.000 0.305 142 C C 0.768 175.764 174.990 0.009 0.000 1.492 142 C CA 0.307 59.308 59.018 -0.029 0.000 1.809 142 C CB -0.944 26.788 27.740 -0.013 0.000 2.639 142 C HN 0.842 nan 8.230 nan 0.000 0.672 143 T N 0.408 114.990 114.554 0.048 0.000 2.824 143 T HA 0.558 4.910 4.350 0.004 0.000 0.280 143 T C 1.162 175.908 174.700 0.076 0.000 0.995 143 T CA 0.715 62.862 62.100 0.078 0.000 1.009 143 T CB 1.323 70.267 68.868 0.127 0.000 0.955 143 T HN 0.462 nan 8.240 nan 0.000 0.452 144 G N 3.554 112.388 108.800 0.058 0.000 2.777 144 G HA2 0.099 4.061 3.960 0.004 0.000 0.211 144 G HA3 0.099 4.061 3.960 0.004 0.000 0.211 144 G C 0.546 175.479 174.900 0.054 0.000 1.149 144 G CA -0.101 45.029 45.100 0.050 0.000 0.785 144 G HN 0.781 nan 8.290 nan 0.000 0.536 145 K N -0.750 119.682 120.400 0.054 0.000 2.219 145 K HA 0.212 4.534 4.320 0.004 0.000 0.258 145 K C -0.358 176.296 176.600 0.090 0.000 1.008 145 K CA -0.639 55.632 56.287 -0.028 0.000 0.928 145 K CB 0.471 32.892 32.500 -0.132 0.000 0.983 145 K HN 0.173 nan 8.250 nan 0.000 0.484 146 Y N -0.432 119.888 120.300 0.033 0.000 3.929 146 Y HA -0.280 4.272 4.550 0.004 0.000 0.225 146 Y C 0.682 176.599 175.900 0.028 0.000 1.200 146 Y CA 0.825 58.942 58.100 0.029 0.000 1.791 146 Y CB -2.551 35.929 38.460 0.033 0.000 1.561 146 Y HN 1.012 nan 8.280 nan 0.000 0.657 147 A N -1.073 121.806 122.820 0.098 0.000 2.832 147 A HA -0.299 4.023 4.320 0.004 0.000 0.280 147 A C 1.256 178.894 177.584 0.091 0.000 1.464 147 A CA 1.319 53.401 52.037 0.075 0.000 0.804 147 A CB -1.777 17.259 19.000 0.060 0.000 1.020 147 A HN 0.697 nan 8.150 nan 0.000 0.563 148 L N -1.277 120.017 121.223 0.118 0.000 2.376 148 L HA -0.008 4.334 4.340 0.004 0.000 0.219 148 L C 2.563 179.536 176.870 0.172 0.000 1.133 148 L CA 1.031 55.951 54.840 0.133 0.000 0.816 148 L CB -0.332 41.819 42.059 0.154 0.000 0.933 148 L HN 0.650 nan 8.230 nan 0.000 0.449 149 G N 0.090 108.970 108.800 0.134 0.000 2.448 149 G HA2 -0.226 3.736 3.960 0.004 0.000 0.219 149 G HA3 -0.226 3.736 3.960 0.004 0.000 0.219 149 G C 1.633 176.618 174.900 0.142 0.000 1.127 149 G CA 0.324 45.509 45.100 0.141 0.000 0.766 149 G HN 0.324 nan 8.290 nan 0.000 0.552 150 K N 0.004 120.455 120.400 0.086 0.000 2.362 150 K HA 0.065 4.388 4.320 0.004 0.000 0.200 150 K C 2.301 178.905 176.600 0.006 0.000 1.046 150 K CA 0.351 56.664 56.287 0.044 0.000 0.952 150 K CB 0.110 32.626 32.500 0.026 0.000 0.753 150 K HN 0.246 nan 8.250 nan 0.000 0.466 151 V N 0.620 120.526 119.914 -0.014 0.000 2.667 151 V HA -0.115 4.007 4.120 0.004 0.000 0.252 151 V C 0.640 176.507 176.094 -0.379 0.000 1.065 151 V CA 1.114 63.287 62.300 -0.212 0.000 1.083 151 V CB -0.371 31.265 31.823 -0.311 0.000 0.692 151 V HN 0.088 nan 8.190 nan 0.000 0.468 152 F N 0.620 120.537 119.950 -0.055 0.000 2.385 152 F HA 0.490 5.019 4.527 0.004 0.000 0.360 152 F C 0.456 176.207 175.800 -0.081 0.000 1.122 152 F CA -1.015 56.933 58.000 -0.086 0.000 1.090 152 F CB 0.678 39.617 39.000 -0.101 0.000 1.150 152 F HN -0.092 nan 8.300 nan 0.000 0.472 153 E N 3.538 123.758 120.200 0.033 0.000 2.452 153 E HA -0.041 4.311 4.350 0.004 0.000 0.261 153 E C -0.240 176.378 176.600 0.029 0.000 0.987 153 E CA 0.103 56.510 56.400 0.011 0.000 0.926 153 E CB 0.503 30.192 29.700 -0.019 0.000 0.934 153 E HN 0.413 nan 8.360 nan 0.000 0.452 154 K N 3.335 123.753 120.400 0.030 0.000 2.368 154 K HA 0.025 4.347 4.320 0.004 0.000 0.282 154 K C -0.477 176.152 176.600 0.047 0.000 1.035 154 K CA 0.045 56.355 56.287 0.038 0.000 0.973 154 K CB 0.489 33.011 32.500 0.036 0.000 0.957 154 K HN 0.547 nan 8.250 nan 0.000 0.474 155 Q N 2.266 122.114 119.800 0.080 0.000 2.406 155 Q HA 0.033 4.376 4.340 0.004 0.000 0.242 155 Q C 0.963 177.004 176.000 0.069 0.000 1.036 155 Q CA -0.380 55.481 55.803 0.096 0.000 0.904 155 Q CB 1.152 30.000 28.738 0.182 0.000 1.244 155 Q HN 0.798 nan 8.270 nan 0.000 0.478 156 S N 2.028 117.749 115.700 0.035 0.000 2.382 156 S HA -0.218 4.254 4.470 0.004 0.000 0.228 156 S C 1.597 176.189 174.600 -0.014 0.000 1.027 156 S CA 1.341 59.546 58.200 0.010 0.000 0.991 156 S CB -0.040 63.164 63.200 0.006 0.000 0.823 156 S HN 0.753 nan 8.310 nan 0.000 0.469 157 E N 2.121 122.315 120.200 -0.009 0.000 2.333 157 E HA -0.139 4.213 4.350 0.004 0.000 0.198 157 E C 0.549 177.106 176.600 -0.072 0.000 1.007 157 E CA 0.986 57.366 56.400 -0.033 0.000 0.845 157 E CB -0.517 29.172 29.700 -0.018 0.000 0.766 157 E HN 0.588 nan 8.360 nan 0.000 0.507 158 N N 0.113 118.775 118.700 -0.064 0.000 2.177 158 N HA 0.093 4.835 4.740 0.004 0.000 0.218 158 N C -0.684 174.773 175.510 -0.088 0.000 1.182 158 N CA 0.056 53.022 53.050 -0.140 0.000 0.882 158 N CB 1.317 39.663 38.487 -0.234 0.000 1.052 158 N HN -0.062 nan 8.380 nan 0.000 0.519 159 S N 1.544 117.208 115.700 -0.060 0.000 2.259 159 S HA 0.250 4.723 4.470 0.004 0.000 0.181 159 S C -1.798 172.720 174.600 -0.136 0.000 1.589 159 S CA -0.765 57.402 58.200 -0.056 0.000 1.234 159 S CB 2.131 65.349 63.200 0.030 0.000 1.119 159 S HN 0.114 nan 8.310 nan 0.000 0.458 160 P HA 0.105 nan 4.420 nan 0.000 0.227 160 P C -0.252 176.834 177.300 -0.357 0.000 1.161 160 P CA 0.506 63.352 63.100 -0.423 0.000 0.788 160 P CB 0.035 31.315 31.700 -0.700 0.000 0.822 161 F N 0.217 120.164 119.950 -0.006 0.000 2.422 161 F HA 0.349 4.877 4.527 0.003 0.000 0.333 161 F C 1.570 177.369 175.800 -0.002 0.000 1.095 161 F CA -0.806 57.188 58.000 -0.010 0.000 1.038 161 F CB 0.951 39.939 39.000 -0.020 0.000 1.156 161 F HN -0.283 nan 8.300 nan 0.000 0.483 162 E N 0.729 121.050 120.200 0.201 0.000 2.539 162 E HA 0.065 4.417 4.350 0.004 0.000 0.215 162 E C -0.125 176.523 176.600 0.080 0.000 0.965 162 E CA 0.150 56.615 56.400 0.108 0.000 1.019 162 E CB 0.807 30.551 29.700 0.074 0.000 1.059 162 E HN 0.675 nan 8.360 nan 0.000 0.496 163 K N 0.154 120.600 120.400 0.076 0.000 2.509 163 K HA 0.515 4.837 4.320 0.004 0.000 0.266 163 K C -3.073 173.514 176.600 -0.023 0.000 0.987 163 K CA -1.951 54.350 56.287 0.024 0.000 0.868 163 K CB 1.711 34.220 32.500 0.014 0.000 1.421 163 K HN -0.353 nan 8.250 nan 0.000 0.444 164 P HA 0.007 nan 4.420 nan 0.000 0.264 164 P C -0.333 176.873 177.300 -0.156 0.000 1.183 164 P CA -0.060 62.992 63.100 -0.081 0.000 0.763 164 P CB 0.624 32.294 31.700 -0.050 0.000 0.807 165 Q N 1.517 121.165 119.800 -0.253 0.000 2.398 165 Q HA 0.081 4.423 4.340 0.004 0.000 0.204 165 Q C 0.355 176.212 176.000 -0.239 0.000 0.932 165 Q CA 1.018 56.607 55.803 -0.358 0.000 0.916 165 Q CB 0.273 28.645 28.738 -0.610 0.000 1.024 165 Q HN 0.384 nan 8.270 nan 0.000 0.504 166 R N -0.749 119.662 120.500 -0.149 0.000 2.725 166 R HA 0.600 4.943 4.340 0.004 0.000 0.277 166 R C -1.377 174.904 176.300 -0.032 0.000 0.987 166 R CA -0.329 55.729 56.100 -0.070 0.000 0.901 166 R CB 1.757 32.033 30.300 -0.040 0.000 1.207 166 R HN -0.004 nan 8.270 nan 0.000 0.463 167 A N 3.681 126.505 122.820 0.006 0.000 2.302 167 A HA 0.463 4.785 4.320 0.004 0.000 0.295 167 A C -0.590 176.989 177.584 -0.008 0.000 1.235 167 A CA -0.397 51.636 52.037 -0.006 0.000 0.876 167 A CB -0.042 18.975 19.000 0.029 0.000 1.133 167 A HN 0.569 nan 8.150 nan 0.000 0.533 168 L N 2.102 123.307 121.223 -0.031 0.000 2.312 168 L HA 0.436 4.779 4.340 0.004 0.000 0.281 168 L C -0.169 176.701 176.870 0.000 0.000 1.070 168 L CA -0.446 54.387 54.840 -0.011 0.000 0.805 168 L CB 1.488 43.536 42.059 -0.019 0.000 1.174 168 L HN 0.735 nan 8.230 nan 0.000 0.434 169 C N 4.708 124.031 119.300 0.038 0.000 2.455 169 C HA 0.647 5.109 4.460 0.004 0.000 0.321 169 C C -0.401 174.653 174.990 0.108 0.000 1.102 169 C CA -0.364 58.709 59.018 0.091 0.000 1.413 169 C CB 0.341 28.167 27.740 0.144 0.000 1.952 169 C HN 0.566 nan 8.230 nan 0.000 0.428 170 V N 5.661 125.624 119.914 0.081 0.000 2.448 170 V HA 0.923 5.046 4.120 0.004 0.000 0.295 170 V C 0.662 176.794 176.094 0.064 0.000 1.025 170 V CA 0.168 62.509 62.300 0.068 0.000 0.859 170 V CB 1.514 33.341 31.823 0.006 0.000 0.988 170 V HN 1.065 nan 8.190 nan 0.000 0.431 171 G N 3.695 112.576 108.800 0.135 0.000 2.690 171 G HA2 0.693 4.656 3.960 0.004 0.000 0.293 171 G HA3 0.693 4.656 3.960 0.004 0.000 0.293 171 G C -1.641 173.209 174.900 -0.084 0.000 1.399 171 G CA -0.794 44.269 45.100 -0.062 0.000 0.890 171 G HN 0.572 nan 8.290 nan 0.000 0.485 172 L N 0.698 121.719 121.223 -0.336 0.000 2.275 172 L HA 0.589 4.931 4.340 0.004 0.000 0.288 172 L C -0.887 175.715 176.870 -0.447 0.000 1.046 172 L CA -0.512 54.197 54.840 -0.219 0.000 0.805 172 L CB 1.108 43.064 42.059 -0.171 0.000 1.193 172 L HN 0.354 nan 8.230 nan 0.000 0.426 173 F N 2.088 121.996 119.950 -0.070 0.000 2.561 173 F HA 0.499 5.029 4.527 0.004 0.000 0.321 173 F C 0.156 175.925 175.800 -0.050 0.000 1.065 173 F CA -0.832 57.108 58.000 -0.101 0.000 0.934 173 F CB 1.941 40.909 39.000 -0.053 0.000 1.215 173 F HN 0.354 nan 8.300 nan 0.000 0.471 174 K N -0.021 120.443 120.400 0.106 0.000 2.185 174 K HA 0.790 5.112 4.320 0.004 0.000 0.240 174 K C 0.514 177.218 176.600 0.173 0.000 0.983 174 K CA -0.494 55.853 56.287 0.101 0.000 0.873 174 K CB 1.658 34.183 32.500 0.042 0.000 1.118 174 K HN 0.844 nan 8.250 nan 0.000 0.441 175 G N 0.623 109.513 108.800 0.151 0.000 2.143 175 G HA2 -0.222 3.741 3.960 0.004 0.000 0.249 175 G HA3 -0.222 3.741 3.960 0.004 0.000 0.249 175 G C -0.173 174.834 174.900 0.178 0.000 0.981 175 G CA 0.163 45.366 45.100 0.173 0.000 0.665 175 G HN 0.546 nan 8.290 nan 0.000 0.528 176 I N 1.157 121.823 120.570 0.160 0.000 2.307 176 I HA 0.275 4.448 4.170 0.004 0.000 0.289 176 I C 0.732 176.874 176.117 0.042 0.000 1.021 176 I CA -0.742 60.613 61.300 0.092 0.000 1.224 176 I CB 1.146 39.203 38.000 0.095 0.000 1.376 176 I HN -0.036 nan 8.210 nan 0.000 0.470 177 K N 4.864 125.270 120.400 0.010 0.000 2.414 177 K HA 0.122 4.444 4.320 0.004 0.000 0.272 177 K C 0.021 176.612 176.600 -0.015 0.000 0.993 177 K CA -0.156 56.130 56.287 -0.001 0.000 0.964 177 K CB 0.696 33.185 32.500 -0.018 0.000 0.925 177 K HN 0.504 nan 8.250 nan 0.000 0.487 178 E N 0.731 120.930 120.200 -0.001 0.000 2.354 178 E HA 0.171 4.523 4.350 0.004 0.000 0.269 178 E C -0.463 176.121 176.600 -0.026 0.000 1.036 178 E CA -0.509 55.893 56.400 0.003 0.000 0.876 178 E CB 0.985 30.709 29.700 0.038 0.000 1.009 178 E HN 0.597 nan 8.360 nan 0.000 0.416 179 A N 4.668 127.459 122.820 -0.050 0.000 2.386 179 A HA 0.142 4.464 4.320 0.004 0.000 0.246 179 A C -1.558 176.023 177.584 -0.006 0.000 1.089 179 A CA -0.992 50.971 52.037 -0.123 0.000 0.790 179 A CB -0.277 18.533 19.000 -0.315 0.000 1.042 179 A HN 0.584 nan 8.150 nan 0.000 0.497 180 P HA -0.134 nan 4.420 nan 0.000 0.218 180 P C 0.388 177.737 177.300 0.083 0.000 1.152 180 P CA 1.293 64.415 63.100 0.037 0.000 0.857 180 P CB 0.071 31.794 31.700 0.040 0.000 0.787 181 I N -1.622 119.053 120.570 0.174 0.000 2.474 181 I HA 0.258 4.430 4.170 0.004 0.000 0.294 181 I C 0.120 176.426 176.117 0.315 0.000 1.005 181 I CA -1.362 60.056 61.300 0.196 0.000 1.113 181 I CB 1.598 39.664 38.000 0.110 0.000 1.289 181 I HN -0.360 nan 8.210 nan 0.000 0.436 182 R N 5.725 126.431 120.500 0.344 0.000 2.483 182 R HA 0.358 4.701 4.340 0.004 0.000 0.329 182 R C -0.804 175.747 176.300 0.419 0.000 0.961 182 R CA 0.300 56.612 56.100 0.354 0.000 1.041 182 R CB 0.048 30.573 30.300 0.376 0.000 0.930 182 R HN 0.685 nan 8.270 nan 0.000 0.413 183 A N 3.059 126.069 122.820 0.317 0.000 2.612 183 A HA 0.367 4.689 4.320 0.004 0.000 0.293 183 A C -0.890 176.694 177.584 0.000 0.000 1.075 183 A CA -0.698 51.520 52.037 0.301 0.000 0.680 183 A CB 1.464 20.755 19.000 0.485 0.000 1.279 183 A HN 0.374 nan 8.150 nan 0.000 0.411 184 V N 1.113 120.877 119.914 -0.250 0.000 2.775 184 V HA 0.446 4.569 4.120 0.004 0.000 0.299 184 V C 0.387 176.375 176.094 -0.178 0.000 1.062 184 V CA 0.332 62.389 62.300 -0.405 0.000 1.063 184 V CB 1.529 32.940 31.823 -0.687 0.000 0.994 184 V HN 0.898 nan 8.190 nan 0.000 0.483 185 T N 6.663 121.103 114.554 -0.190 0.000 2.779 185 T HA 0.533 4.885 4.350 0.004 0.000 0.280 185 T C -0.274 174.305 174.700 -0.202 0.000 0.987 185 T CA -0.317 61.702 62.100 -0.135 0.000 0.966 185 T CB 0.873 69.695 68.868 -0.078 0.000 0.933 185 T HN 0.483 nan 8.240 nan 0.000 0.442 186 M N 2.988 122.456 119.600 -0.220 0.000 2.066 186 M HA 0.391 4.874 4.480 0.004 0.000 0.340 186 M C 0.058 176.439 176.300 0.134 0.000 1.053 186 M CA -0.459 54.796 55.300 -0.076 0.000 0.983 186 M CB 1.421 33.984 32.600 -0.061 0.000 1.520 186 M HN 0.475 nan 8.290 nan 0.000 0.428 187 S N 3.450 119.253 115.700 0.172 0.000 2.449 187 S HA 0.666 5.139 4.470 0.004 0.000 0.310 187 S C -1.491 173.428 174.600 0.531 0.000 1.096 187 S CA -0.530 57.901 58.200 0.386 0.000 1.095 187 S CB 0.761 64.159 63.200 0.330 0.000 1.007 187 S HN 0.497 nan 8.310 nan 0.000 0.474 188 F N 4.634 124.815 119.950 0.386 0.000 2.460 188 F HA 0.579 5.108 4.527 0.003 0.000 0.341 188 F C -0.171 175.783 175.800 0.257 0.000 1.130 188 F CA -0.775 57.410 58.000 0.307 0.000 0.962 188 F CB 1.678 40.830 39.000 0.254 0.000 1.171 188 F HN 0.474 nan 8.300 nan 0.000 0.436 189 S N 8.192 123.728 115.700 -0.274 0.000 2.404 189 S HA 0.491 4.964 4.470 0.004 0.000 0.309 189 S C -2.661 171.437 174.600 -0.837 0.000 1.076 189 S CA -1.667 56.284 58.200 -0.414 0.000 1.095 189 S CB 0.229 63.327 63.200 -0.171 0.000 0.972 189 S HN 0.380 nan 8.310 nan 0.000 0.484 190 P HA 0.165 nan 4.420 nan 0.000 0.260 190 P C 0.902 178.034 177.300 -0.280 0.000 1.185 190 P CA 1.001 63.685 63.100 -0.693 0.000 0.763 190 P CB 0.249 31.801 31.700 -0.247 0.000 0.776 191 G N 2.395 111.089 108.800 -0.178 0.000 2.189 191 G HA2 -0.320 3.642 3.960 0.004 0.000 0.267 191 G HA3 -0.320 3.642 3.960 0.004 0.000 0.267 191 G C 0.674 175.249 174.900 -0.541 0.000 0.975 191 G CA 0.683 45.679 45.100 -0.174 0.000 0.644 191 G HN 0.638 nan 8.290 nan 0.000 0.537 192 H N -0.996 117.755 119.070 -0.531 0.000 2.381 192 H HA 0.508 5.066 4.556 0.004 0.000 0.252 192 H C 1.328 176.249 175.328 -0.678 0.000 0.920 192 H CA 1.063 56.825 56.048 -0.475 0.000 1.100 192 H CB 1.276 30.892 29.762 -0.244 0.000 1.435 192 H HN 1.025 nan 8.280 nan 0.000 0.454 193 G N -0.217 108.273 108.800 -0.517 0.000 2.325 193 G HA2 0.346 4.308 3.960 0.004 0.000 0.297 193 G HA3 0.346 4.308 3.960 0.004 0.000 0.297 193 G C -1.767 173.322 174.900 0.314 0.000 1.448 193 G CA -0.964 44.091 45.100 -0.075 0.000 0.838 193 G HN 0.029 nan 8.290 nan 0.000 0.579 194 E N -0.931 119.501 120.200 0.386 0.000 2.191 194 E HA 0.696 5.048 4.350 0.004 0.000 0.274 194 E C -0.729 175.940 176.600 0.116 0.000 0.948 194 E CA -0.702 55.919 56.400 0.369 0.000 0.802 194 E CB 2.607 32.477 29.700 0.284 0.000 1.137 194 E HN 0.556 nan 8.360 nan 0.000 0.397 195 L N 2.816 123.996 121.223 -0.071 0.000 2.385 195 L HA 0.570 4.912 4.340 0.004 0.000 0.273 195 L C -1.722 175.047 176.870 -0.168 0.000 0.990 195 L CA -0.516 54.135 54.840 -0.315 0.000 0.821 195 L CB 1.139 42.648 42.059 -0.917 0.000 1.279 195 L HN 0.491 nan 8.230 nan 0.000 0.412 196 I N 4.309 124.793 120.570 -0.143 0.000 2.354 196 I HA 0.403 4.576 4.170 0.004 0.000 0.286 196 I C -0.106 175.911 176.117 -0.167 0.000 1.007 196 I CA -0.207 61.000 61.300 -0.154 0.000 1.167 196 I CB 1.499 39.418 38.000 -0.136 0.000 1.320 196 I HN 0.594 nan 8.210 nan 0.000 0.458 197 E N 7.590 127.676 120.200 -0.190 0.000 2.115 197 E HA 0.521 4.873 4.350 0.004 0.000 0.282 197 E C -1.172 175.297 176.600 -0.218 0.000 0.987 197 E CA -0.455 55.845 56.400 -0.167 0.000 0.797 197 E CB 0.860 30.469 29.700 -0.152 0.000 1.086 197 E HN 0.549 nan 8.360 nan 0.000 0.397 198 I N 6.299 126.756 120.570 -0.188 0.000 2.410 198 I HA 0.294 4.466 4.170 0.004 0.000 0.286 198 I C -2.332 173.691 176.117 -0.156 0.000 1.009 198 I CA -2.752 58.394 61.300 -0.258 0.000 1.111 198 I CB 1.918 39.789 38.000 -0.215 0.000 1.262 198 I HN 0.347 nan 8.210 nan 0.000 0.443 199 P HA 0.108 nan 4.420 nan 0.000 0.265 199 P C -0.826 176.473 177.300 -0.001 0.000 1.222 199 P CA 0.187 63.267 63.100 -0.033 0.000 0.767 199 P CB 0.444 32.158 31.700 0.024 0.000 0.801 200 T N 4.245 118.786 114.554 -0.021 0.000 2.841 200 T HA 0.341 4.693 4.350 0.004 0.000 0.285 200 T C -0.446 174.202 174.700 -0.086 0.000 0.991 200 T CA -0.562 61.501 62.100 -0.063 0.000 0.966 200 T CB 0.880 69.691 68.868 -0.095 0.000 0.962 200 T HN 0.111 nan 8.240 nan 0.000 0.438 201 L N 3.417 124.555 121.223 -0.143 0.000 2.361 201 L HA 0.633 4.976 4.340 0.004 0.000 0.278 201 L C 0.292 176.964 176.870 -0.330 0.000 1.113 201 L CA 0.801 55.512 54.840 -0.215 0.000 0.849 201 L CB 0.521 42.368 42.059 -0.354 0.000 1.155 201 L HN 0.675 nan 8.230 nan 0.000 0.452 202 S N 2.950 118.486 115.700 -0.273 0.000 2.900 202 S HA 0.468 4.941 4.470 0.004 0.000 0.320 202 S C 1.052 175.470 174.600 -0.303 0.000 1.130 202 S CA -0.543 57.424 58.200 -0.388 0.000 0.863 202 S CB 0.420 63.460 63.200 -0.266 0.000 1.295 202 S HN 0.485 nan 8.310 nan 0.000 0.596 203 F N 2.057 121.960 119.950 -0.077 0.000 2.091 203 F HA -0.065 4.464 4.527 0.004 0.000 0.299 203 F C 2.027 177.812 175.800 -0.025 0.000 1.103 203 F CA 1.343 59.315 58.000 -0.046 0.000 1.228 203 F CB -0.423 38.554 39.000 -0.039 0.000 0.984 203 F HN 0.421 nan 8.300 nan 0.000 0.477 204 N N 0.002 118.798 118.700 0.160 0.000 2.314 204 N HA 0.268 5.011 4.740 0.004 0.000 0.200 204 N C 0.962 176.510 175.510 0.064 0.000 1.135 204 N CA 0.964 54.072 53.050 0.097 0.000 0.835 204 N CB 0.409 38.941 38.487 0.075 0.000 0.989 204 N HN 0.420 nan 8.380 nan 0.000 0.478 205 G N 0.679 109.505 108.800 0.042 0.000 2.416 205 G HA2 -0.204 3.758 3.960 0.004 0.000 0.203 205 G HA3 -0.204 3.758 3.960 0.004 0.000 0.203 205 G C -0.640 174.276 174.900 0.027 0.000 1.227 205 G CA -0.790 44.340 45.100 0.050 0.000 1.041 205 G HN 0.009 nan 8.290 nan 0.000 0.546 206 M N 2.180 121.816 119.600 0.061 0.000 2.364 206 M HA 0.415 4.897 4.480 0.004 0.000 0.342 206 M C 1.026 177.348 176.300 0.035 0.000 1.601 206 M CA 0.344 55.676 55.300 0.053 0.000 1.156 206 M CB -0.333 32.315 32.600 0.080 0.000 1.912 206 M HN 1.064 nan 8.290 nan 0.000 0.460 207 S N 2.477 118.185 115.700 0.013 0.000 2.798 207 S HA 0.818 5.290 4.470 0.004 0.000 0.312 207 S C -0.065 174.551 174.600 0.026 0.000 1.122 207 S CA -0.709 57.505 58.200 0.023 0.000 0.949 207 S CB 2.054 65.253 63.200 -0.001 0.000 1.235 207 S HN 0.655 nan 8.310 nan 0.000 0.552 208 T N -1.496 113.094 114.554 0.061 0.000 2.812 208 T HA 0.733 5.085 4.350 0.004 0.000 0.282 208 T C -0.212 174.548 174.700 0.100 0.000 0.990 208 T CA -0.580 61.553 62.100 0.056 0.000 0.960 208 T CB 0.813 69.715 68.868 0.055 0.000 0.948 208 T HN 1.149 nan 8.240 nan 0.000 0.438 209 A N 4.737 127.577 122.820 0.034 0.000 2.409 209 A HA 0.664 4.986 4.320 0.004 0.000 0.262 209 A C 0.069 177.694 177.584 0.068 0.000 1.113 209 A CA -0.703 51.366 52.037 0.052 0.000 0.790 209 A CB 0.000 18.982 19.000 -0.031 0.000 1.046 209 A HN 0.943 nan 8.150 nan 0.000 0.496 210 L N 3.718 125.043 121.223 0.170 0.000 2.295 210 L HA 0.343 4.685 4.340 0.004 0.000 0.281 210 L C -0.845 176.061 176.870 0.060 0.000 1.018 210 L CA -0.673 54.209 54.840 0.070 0.000 0.841 210 L CB 1.609 43.672 42.059 0.006 0.000 1.218 210 L HN 0.428 nan 8.230 nan 0.000 0.424 211 V N 5.560 125.460 119.914 -0.023 0.000 2.288 211 V HA 0.273 4.396 4.120 0.004 0.000 0.266 211 V C 0.174 176.246 176.094 -0.037 0.000 1.048 211 V CA -0.276 62.011 62.300 -0.022 0.000 0.842 211 V CB 1.086 32.882 31.823 -0.045 0.000 1.064 211 V HN 0.521 nan 8.190 nan 0.000 0.472 212 L N 5.129 126.350 121.223 -0.004 0.000 2.259 212 L HA 0.426 4.768 4.340 0.004 0.000 0.288 212 L C 0.594 177.484 176.870 0.034 0.000 1.051 212 L CA -0.019 54.820 54.840 -0.001 0.000 0.824 212 L CB 0.712 42.781 42.059 0.017 0.000 1.206 212 L HN 0.524 nan 8.230 nan 0.000 0.429 213 E N 3.850 124.084 120.200 0.056 0.000 1.998 213 E HA 0.185 4.537 4.350 0.004 0.000 0.257 213 E C -0.773 175.926 176.600 0.165 0.000 1.038 213 E CA -0.339 56.112 56.400 0.085 0.000 0.869 213 E CB 0.302 30.051 29.700 0.081 0.000 1.135 213 E HN 0.461 nan 8.360 nan 0.000 0.430 214 N N 2.171 120.950 118.700 0.131 0.000 2.472 214 N HA 0.116 4.858 4.740 0.004 0.000 0.277 214 N C -0.069 175.581 175.510 0.233 0.000 1.081 214 N CA -0.354 52.791 53.050 0.158 0.000 0.973 214 N CB 0.681 39.217 38.487 0.082 0.000 1.105 214 N HN 0.285 nan 8.380 nan 0.000 0.470 215 H N 0.934 120.025 119.070 0.035 0.000 2.815 215 H HA 0.141 4.700 4.556 0.004 0.000 0.350 215 H C 0.563 175.895 175.328 0.007 0.000 1.080 215 H CA -0.124 55.930 56.048 0.011 0.000 1.433 215 H CB 0.570 30.332 29.762 0.001 0.000 1.432 215 H HN 0.323 nan 8.280 nan 0.000 0.592 216 I N 1.945 122.563 120.570 0.079 0.000 2.598 216 I HA 0.057 4.229 4.170 0.004 0.000 0.284 216 I C 1.586 177.735 176.117 0.052 0.000 1.140 216 I CA 0.759 62.090 61.300 0.053 0.000 1.420 216 I CB -0.083 37.920 38.000 0.006 0.000 1.387 216 I HN 0.957 nan 8.210 nan 0.000 0.553 217 G N 4.543 113.374 108.800 0.052 0.000 2.159 217 G HA2 -0.251 3.711 3.960 0.004 0.000 0.256 217 G HA3 -0.251 3.711 3.960 0.004 0.000 0.256 217 G C 0.394 175.321 174.900 0.044 0.000 0.977 217 G CA 0.457 45.579 45.100 0.036 0.000 0.652 217 G HN 0.835 nan 8.290 nan 0.000 0.531 218 S N -0.933 114.807 115.700 0.068 0.000 2.671 218 S HA 0.556 5.028 4.470 0.004 0.000 0.272 218 S C 0.756 175.443 174.600 0.145 0.000 1.174 218 S CA 0.518 58.775 58.200 0.096 0.000 1.004 218 S CB 1.607 64.854 63.200 0.078 0.000 1.077 218 S HN 0.134 nan 8.310 nan 0.000 0.553 219 D N -1.173 119.398 120.400 0.285 0.000 2.363 219 D HA 0.081 4.723 4.640 0.004 0.000 0.226 219 D C 0.979 177.247 176.300 -0.053 0.000 1.020 219 D CA 0.367 54.431 54.000 0.106 0.000 0.892 219 D CB -0.160 40.690 40.800 0.084 0.000 0.900 219 D HN 0.340 nan 8.370 nan 0.000 0.531 220 L N -0.091 121.086 121.223 -0.077 0.000 2.701 220 L HA 0.271 4.614 4.340 0.004 0.000 0.238 220 L C 1.692 178.555 176.870 -0.012 0.000 1.106 220 L CA 0.380 55.130 54.840 -0.150 0.000 0.898 220 L CB 0.031 41.934 42.059 -0.260 0.000 1.188 220 L HN -0.001 nan 8.230 nan 0.000 0.508 221 E N -0.700 119.531 120.200 0.052 0.000 2.153 221 E HA -0.202 4.151 4.350 0.004 0.000 0.194 221 E C 2.158 178.875 176.600 0.195 0.000 0.988 221 E CA 1.171 57.645 56.400 0.123 0.000 0.811 221 E CB 0.189 29.972 29.700 0.138 0.000 0.746 221 E HN 0.245 nan 8.360 nan 0.000 0.466 222 V N 0.991 120.985 119.914 0.134 0.000 2.453 222 V HA -0.255 3.868 4.120 0.004 0.000 0.252 222 V C 2.061 178.249 176.094 0.157 0.000 1.068 222 V CA 1.559 63.949 62.300 0.150 0.000 1.070 222 V CB -0.266 31.597 31.823 0.067 0.000 0.664 222 V HN 0.329 nan 8.190 nan 0.000 0.461 223 L N 0.061 121.336 121.223 0.088 0.000 2.265 223 L HA -0.054 4.288 4.340 0.004 0.000 0.215 223 L C 2.516 179.467 176.870 0.136 0.000 1.117 223 L CA 1.332 56.215 54.840 0.072 0.000 0.782 223 L CB -0.644 41.418 42.059 0.006 0.000 0.914 223 L HN 0.424 nan 8.230 nan 0.000 0.441 224 A N -1.797 121.061 122.820 0.063 0.000 2.178 224 A HA -0.051 4.272 4.320 0.004 0.000 0.211 224 A C 1.792 179.236 177.584 -0.234 0.000 1.157 224 A CA 0.569 52.551 52.037 -0.091 0.000 0.780 224 A CB -0.365 18.511 19.000 -0.208 0.000 0.828 224 A HN 0.432 nan 8.150 nan 0.000 0.476 225 H N -1.639 117.494 119.070 0.106 0.000 2.855 225 H HA 0.083 4.641 4.556 0.004 0.000 0.259 225 H C 0.274 175.671 175.328 0.115 0.000 0.972 225 H CA 0.769 56.870 56.048 0.089 0.000 1.213 225 H CB 0.129 29.928 29.762 0.061 0.000 1.451 225 H HN 0.336 nan 8.280 nan 0.000 0.484 226 T N 2.914 117.629 114.554 0.270 0.000 2.761 226 T HA 0.111 4.464 4.350 0.004 0.000 0.296 226 T C 0.037 174.932 174.700 0.327 0.000 0.934 226 T CA -0.579 61.689 62.100 0.280 0.000 1.091 226 T CB 0.277 69.312 68.868 0.278 0.000 0.896 226 T HN -0.007 nan 8.240 nan 0.000 0.515 227 K N 4.960 125.473 120.400 0.189 0.000 2.227 227 K HA 0.106 4.429 4.320 0.004 0.000 0.280 227 K C 0.445 177.046 176.600 0.001 0.000 1.041 227 K CA -0.401 55.927 56.287 0.068 0.000 0.905 227 K CB 1.130 33.652 32.500 0.037 0.000 1.068 227 K HN 0.772 nan 8.250 nan 0.000 0.470 228 Y N 2.998 123.055 120.300 -0.405 0.000 2.165 228 Y HA -0.255 4.297 4.550 0.004 0.000 0.286 228 Y C 1.153 176.936 175.900 -0.195 0.000 1.155 228 Y CA 1.945 59.744 58.100 -0.501 0.000 1.164 228 Y CB 0.300 38.288 38.460 -0.786 0.000 0.978 228 Y HN 0.599 nan 8.280 nan 0.000 0.513 229 D N -0.117 120.264 120.400 -0.033 0.000 2.348 229 D HA -0.107 4.535 4.640 0.004 0.000 0.216 229 D C 1.319 177.574 176.300 -0.076 0.000 0.970 229 D CA 0.897 54.867 54.000 -0.051 0.000 0.889 229 D CB -0.157 40.648 40.800 0.009 0.000 0.912 229 D HN 0.486 nan 8.370 nan 0.000 0.524 230 D N 0.051 120.415 120.400 -0.059 0.000 2.162 230 D HA -0.048 4.594 4.640 0.004 0.000 0.203 230 D C 0.143 176.410 176.300 -0.054 0.000 0.967 230 D CA 1.052 55.031 54.000 -0.034 0.000 0.840 230 D CB 0.379 41.182 40.800 0.005 0.000 0.972 230 D HN 0.067 nan 8.370 nan 0.000 0.482 231 D N -2.140 118.205 120.400 -0.091 0.000 2.251 231 D HA 0.088 4.730 4.640 0.004 0.000 0.210 231 D C -2.274 173.924 176.300 -0.170 0.000 1.304 231 D CA -1.086 52.854 54.000 -0.100 0.000 0.912 231 D CB 1.474 42.258 40.800 -0.027 0.000 1.553 231 D HN -0.226 nan 8.370 nan 0.000 0.526 232 P HA -0.091 nan 4.420 nan 0.000 0.216 232 P C 1.395 178.606 177.300 -0.148 0.000 1.153 232 P CA 0.806 63.538 63.100 -0.614 0.000 0.848 232 P CB 0.459 31.739 31.700 -0.699 0.000 0.787 233 R N 0.374 120.834 120.500 -0.066 0.000 2.081 233 R HA -0.051 4.292 4.340 0.004 0.000 0.235 233 R C 2.118 178.458 176.300 0.066 0.000 1.131 233 R CA 1.931 58.046 56.100 0.025 0.000 0.960 233 R CB -1.506 28.800 30.300 0.010 0.000 0.856 233 R HN 0.065 nan 8.270 nan 0.000 0.436 234 A N -0.613 122.240 122.820 0.054 0.000 1.898 234 A HA -0.123 4.200 4.320 0.004 0.000 0.216 234 A C 2.157 179.816 177.584 0.124 0.000 1.181 234 A CA 1.333 53.413 52.037 0.072 0.000 0.620 234 A CB -0.816 18.218 19.000 0.056 0.000 0.819 234 A HN 0.476 nan 8.150 nan 0.000 0.442 235 F N 0.140 120.109 119.950 0.031 0.000 2.102 235 F HA -0.141 4.388 4.527 0.003 0.000 0.298 235 F C 1.816 177.725 175.800 0.180 0.000 1.105 235 F CA 1.544 59.610 58.000 0.109 0.000 1.239 235 F CB -0.174 38.913 39.000 0.144 0.000 0.991 235 F HN 0.143 nan 8.300 nan 0.000 0.474 236 L N 0.565 122.001 121.223 0.355 0.000 2.046 236 L HA -0.214 4.128 4.340 0.004 0.000 0.208 236 L C 2.092 179.085 176.870 0.206 0.000 1.077 236 L CA 1.707 56.764 54.840 0.361 0.000 0.747 236 L CB -1.304 40.983 42.059 0.379 0.000 0.896 236 L HN 0.106 nan 8.230 nan 0.000 0.432 237 D N -0.956 119.513 120.400 0.116 0.000 2.117 237 D HA -0.187 4.455 4.640 0.004 0.000 0.197 237 D C 2.216 178.507 176.300 -0.014 0.000 0.987 237 D CA 0.966 54.993 54.000 0.045 0.000 0.829 237 D CB -0.196 40.624 40.800 0.034 0.000 0.961 237 D HN 0.146 nan 8.370 nan 0.000 0.460 238 L N 0.129 121.327 121.223 -0.042 0.000 2.046 238 L HA -0.115 4.227 4.340 0.004 0.000 0.208 238 L C 2.213 178.998 176.870 -0.142 0.000 1.077 238 L CA 1.452 56.237 54.840 -0.093 0.000 0.747 238 L CB -0.525 41.469 42.059 -0.109 0.000 0.896 238 L HN -0.044 nan 8.230 nan 0.000 0.432 239 M N -1.045 118.435 119.600 -0.198 0.000 2.080 239 M HA -0.205 4.277 4.480 0.004 0.000 0.260 239 M C 2.056 178.257 176.300 -0.165 0.000 1.068 239 M CA 1.886 57.076 55.300 -0.183 0.000 1.109 239 M CB -0.475 32.067 32.600 -0.096 0.000 1.342 239 M HN 0.281 nan 8.290 nan 0.000 0.405 240 L N -0.269 120.862 121.223 -0.152 0.000 2.012 240 L HA -0.252 4.090 4.340 0.004 0.000 0.210 240 L C 2.416 179.178 176.870 -0.180 0.000 1.073 240 L CA 2.119 56.811 54.840 -0.246 0.000 0.748 240 L CB -0.950 40.999 42.059 -0.184 0.000 0.891 240 L HN 0.495 nan 8.230 nan 0.000 0.431 241 E N -0.659 119.469 120.200 -0.119 0.000 2.107 241 E HA -0.187 4.165 4.350 0.004 0.000 0.191 241 E C 2.002 178.554 176.600 -0.080 0.000 0.982 241 E CA 0.621 56.963 56.400 -0.097 0.000 0.809 241 E CB -0.125 29.532 29.700 -0.071 0.000 0.756 241 E HN 0.225 nan 8.360 nan 0.000 0.459 242 K N 0.981 121.341 120.400 -0.065 0.000 2.057 242 K HA -0.035 4.288 4.320 0.004 0.000 0.206 242 K C 2.254 178.860 176.600 0.009 0.000 1.050 242 K CA 0.943 57.228 56.287 -0.002 0.000 0.935 242 K CB -0.355 32.112 32.500 -0.054 0.000 0.715 242 K HN 0.277 nan 8.250 nan 0.000 0.439 243 L N 0.092 121.278 121.223 -0.060 0.000 2.093 243 L HA -0.083 4.259 4.340 0.004 0.000 0.208 243 L C 2.488 179.288 176.870 -0.118 0.000 1.085 243 L CA 1.229 56.035 54.840 -0.056 0.000 0.755 243 L CB -0.859 41.103 42.059 -0.161 0.000 0.904 243 L HN 0.260 nan 8.230 nan 0.000 0.435 244 G N 1.099 109.811 108.800 -0.147 0.000 2.440 244 G HA2 -0.283 3.680 3.960 0.004 0.000 0.218 244 G HA3 -0.283 3.680 3.960 0.004 0.000 0.218 244 G C 1.627 176.424 174.900 -0.172 0.000 1.154 244 G CA 1.203 46.206 45.100 -0.160 0.000 0.767 244 G HN 0.540 nan 8.290 nan 0.000 0.552 245 K N -1.595 118.693 120.400 -0.187 0.000 2.348 245 K HA 0.204 4.527 4.320 0.004 0.000 0.194 245 K C 1.778 178.115 176.600 -0.438 0.000 1.052 245 K CA 0.466 56.578 56.287 -0.293 0.000 1.004 245 K CB -0.097 32.205 32.500 -0.330 0.000 0.873 245 K HN 0.294 nan 8.250 nan 0.000 0.523 246 H N 0.096 118.975 119.070 -0.318 0.000 2.506 246 H HA 0.155 4.713 4.556 0.004 0.000 0.289 246 H C 0.148 175.071 175.328 -0.675 0.000 1.009 246 H CA 0.521 56.261 56.048 -0.513 0.000 1.303 246 H CB 0.614 29.995 29.762 -0.635 0.000 1.453 246 H HN 0.243 nan 8.280 nan 0.000 0.526 247 H N 0.824 119.846 119.070 -0.080 0.000 2.336 247 H HA 0.153 4.711 4.556 0.004 0.000 0.230 247 H C -1.927 173.180 175.328 -0.368 0.000 1.426 247 H CA -1.637 54.279 56.048 -0.219 0.000 1.359 247 H CB 1.273 30.951 29.762 -0.139 0.000 1.555 247 H HN 0.304 nan 8.280 nan 0.000 0.512 248 P HA -0.125 nan 4.420 nan 0.000 0.221 248 P C 1.695 178.775 177.300 -0.368 0.000 1.150 248 P CA 0.919 63.812 63.100 -0.345 0.000 0.800 248 P CB 0.361 31.889 31.700 -0.287 0.000 0.787 249 S N -0.804 114.557 115.700 -0.565 0.000 2.423 249 S HA -0.062 4.411 4.470 0.004 0.000 0.231 249 S C 1.923 176.364 174.600 -0.265 0.000 1.014 249 S CA 1.067 59.044 58.200 -0.372 0.000 0.965 249 S CB -1.476 61.514 63.200 -0.351 0.000 0.785 249 S HN -0.013 nan 8.310 nan 0.000 0.495 250 V N 1.858 121.619 119.914 -0.255 0.000 2.500 250 V HA 0.159 4.281 4.120 0.004 0.000 0.243 250 V C 3.110 179.079 176.094 -0.207 0.000 1.039 250 V CA 1.140 63.318 62.300 -0.203 0.000 1.053 250 V CB -1.251 30.462 31.823 -0.184 0.000 0.695 250 V HN 0.617 nan 8.190 nan 0.000 0.463 251 A N 1.175 123.863 122.820 -0.220 0.000 1.940 251 A HA -0.250 4.073 4.320 0.004 0.000 0.219 251 A C 2.158 179.618 177.584 -0.207 0.000 1.176 251 A CA 1.887 53.782 52.037 -0.235 0.000 0.631 251 A CB -0.494 18.373 19.000 -0.221 0.000 0.814 251 A HN 0.778 nan 8.150 nan 0.000 0.446 252 E N -0.489 119.602 120.200 -0.181 0.000 2.418 252 E HA -0.132 4.221 4.350 0.004 0.000 0.197 252 E C 1.520 178.045 176.600 -0.126 0.000 1.026 252 E CA 0.810 57.123 56.400 -0.144 0.000 0.862 252 E CB -0.196 29.426 29.700 -0.130 0.000 0.799 252 E HN 0.584 nan 8.360 nan 0.000 0.518 253 R N 0.471 120.890 120.500 -0.136 0.000 2.393 253 R HA 0.332 4.675 4.340 0.004 0.000 0.244 253 R C 0.120 176.365 176.300 -0.092 0.000 0.920 253 R CA -0.188 55.848 56.100 -0.106 0.000 1.076 253 R CB 0.381 30.614 30.300 -0.112 0.000 1.119 253 R HN 0.159 nan 8.270 nan 0.000 0.524 254 I N 1.036 121.528 120.570 -0.131 0.000 2.342 254 I HA 0.047 4.219 4.170 0.004 0.000 0.291 254 I C -0.193 175.873 176.117 -0.086 0.000 1.010 254 I CA -0.557 60.662 61.300 -0.136 0.000 1.308 254 I CB 1.107 38.906 38.000 -0.336 0.000 1.400 254 I HN -0.111 nan 8.210 nan 0.000 0.488 255 D N 8.933 129.331 120.400 -0.004 0.000 2.380 255 D HA 0.238 4.880 4.640 0.004 0.000 0.230 255 D C -1.779 174.561 176.300 0.068 0.000 1.154 255 D CA -2.206 51.807 54.000 0.023 0.000 0.859 255 D CB 1.514 42.342 40.800 0.046 0.000 1.045 255 D HN 0.161 nan 8.370 nan 0.000 0.495 256 P HA -0.066 nan 4.420 nan 0.000 0.218 256 P C 0.897 178.271 177.300 0.125 0.000 1.149 256 P CA 0.894 64.033 63.100 0.064 0.000 0.817 256 P CB 0.229 31.932 31.700 0.004 0.000 0.785 257 A N -0.242 122.630 122.820 0.088 0.000 2.014 257 A HA -0.138 4.184 4.320 0.004 0.000 0.218 257 A C 2.100 179.746 177.584 0.104 0.000 1.163 257 A CA 1.350 53.437 52.037 0.083 0.000 0.652 257 A CB -0.664 18.368 19.000 0.053 0.000 0.808 257 A HN 0.060 nan 8.150 nan 0.000 0.449 258 E N -1.637 118.639 120.200 0.127 0.000 2.431 258 E HA 0.113 4.466 4.350 0.004 0.000 0.200 258 E C -0.469 176.242 176.600 0.184 0.000 0.995 258 E CA -0.403 56.074 56.400 0.129 0.000 0.915 258 E CB 0.034 29.798 29.700 0.107 0.000 0.930 258 E HN 0.508 nan 8.360 nan 0.000 0.496 259 F N 2.624 122.620 119.950 0.077 0.000 2.557 259 F HA 0.040 4.570 4.527 0.004 0.000 0.384 259 F C 0.208 176.119 175.800 0.185 0.000 1.057 259 F CA 0.439 58.509 58.000 0.118 0.000 1.169 259 F CB 0.224 39.269 39.000 0.075 0.000 1.070 259 F HN -0.197 nan 8.300 nan 0.000 0.554 260 D N 4.010 124.216 120.400 -0.323 0.000 2.738 260 D HA 0.287 4.929 4.640 0.004 0.000 0.308 260 D C -1.288 174.859 176.300 -0.255 0.000 1.311 260 D CA -0.570 53.309 54.000 -0.201 0.000 0.799 260 D CB 1.046 41.836 40.800 -0.017 0.000 1.332 260 D HN 0.402 nan 8.370 nan 0.000 0.441 261 L N 1.275 122.295 121.223 -0.338 0.000 2.461 261 L HA 0.408 4.751 4.340 0.004 0.000 0.272 261 L C 1.784 178.472 176.870 -0.304 0.000 1.197 261 L CA 0.051 54.556 54.840 -0.557 0.000 0.836 261 L CB 0.775 42.395 42.059 -0.731 0.000 1.105 261 L HN 0.639 nan 8.230 nan 0.000 0.477 262 A N 2.463 125.117 122.820 -0.277 0.000 1.902 262 A HA -0.201 4.122 4.320 0.004 0.000 0.217 262 A C 1.796 179.338 177.584 -0.069 0.000 1.181 262 A CA 2.494 54.460 52.037 -0.119 0.000 0.623 262 A CB -0.404 18.544 19.000 -0.087 0.000 0.818 262 A HN 0.933 nan 8.150 nan 0.000 0.443 263 N N -2.802 115.845 118.700 -0.089 0.000 2.804 263 N HA 0.090 4.832 4.740 0.004 0.000 0.250 263 N C 0.243 175.686 175.510 -0.112 0.000 1.024 263 N CA 1.137 54.155 53.050 -0.055 0.000 0.995 263 N CB 0.799 39.306 38.487 0.034 0.000 1.690 263 N HN 0.518 nan 8.380 nan 0.000 0.515 264 S N -1.797 113.804 115.700 -0.164 0.000 2.672 264 S HA 0.274 4.747 4.470 0.004 0.000 0.271 264 S C 0.291 174.711 174.600 -0.299 0.000 1.171 264 S CA 0.039 58.129 58.200 -0.184 0.000 0.817 264 S CB 0.532 63.647 63.200 -0.141 0.000 1.150 264 S HN 0.247 nan 8.310 nan 0.000 0.478 265 S N 0.124 115.661 115.700 -0.271 0.000 2.547 265 S HA 0.046 4.519 4.470 0.004 0.000 0.235 265 S C 1.462 175.902 174.600 -0.266 0.000 0.980 265 S CA 0.548 58.531 58.200 -0.362 0.000 0.941 265 S CB -0.973 62.165 63.200 -0.103 0.000 0.763 265 S HN 0.604 nan 8.310 nan 0.000 0.532 266 L N 1.023 122.130 121.223 -0.194 0.000 2.376 266 L HA 0.051 4.394 4.340 0.004 0.000 0.219 266 L C 1.032 177.814 176.870 -0.147 0.000 1.133 266 L CA 0.654 55.411 54.840 -0.138 0.000 0.816 266 L CB -0.348 41.657 42.059 -0.091 0.000 0.933 266 L HN 0.195 nan 8.230 nan 0.000 0.449 267 D N 0.088 120.356 120.400 -0.220 0.000 2.323 267 D HA 0.139 4.782 4.640 0.004 0.000 0.239 267 D C 0.040 176.158 176.300 -0.303 0.000 1.129 267 D CA 0.493 54.350 54.000 -0.238 0.000 0.865 267 D CB 0.342 40.966 40.800 -0.293 0.000 0.913 267 D HN 0.133 nan 8.370 nan 0.000 0.517 268 I N 0.679 121.084 120.570 -0.276 0.000 2.498 268 I HA 0.345 4.518 4.170 0.004 0.000 0.290 268 I C -1.762 174.275 176.117 -0.133 0.000 1.032 268 I CA -1.046 60.115 61.300 -0.231 0.000 1.073 268 I CB 1.988 39.789 38.000 -0.332 0.000 1.251 268 I HN -0.290 nan 8.210 nan 0.000 0.426 269 L N 7.333 128.510 121.223 -0.076 0.000 2.409 269 L HA 0.616 4.959 4.340 0.004 0.000 0.272 269 L C -1.275 175.580 176.870 -0.025 0.000 0.980 269 L CA 0.051 54.860 54.840 -0.052 0.000 0.826 269 L CB 1.767 43.797 42.059 -0.048 0.000 1.268 269 L HN 0.663 nan 8.230 nan 0.000 0.407 270 Q N 3.032 122.813 119.800 -0.031 0.000 2.375 270 Q HA 0.879 5.222 4.340 0.004 0.000 0.271 270 Q C -0.317 175.650 176.000 -0.056 0.000 1.074 270 Q CA -0.328 55.455 55.803 -0.033 0.000 0.808 270 Q CB 2.551 31.274 28.738 -0.025 0.000 1.327 270 Q HN 0.949 nan 8.270 nan 0.000 0.441 271 G N 0.354 109.110 108.800 -0.074 0.000 2.470 271 G HA2 0.440 4.403 3.960 0.004 0.000 0.145 271 G HA3 0.440 4.403 3.960 0.004 0.000 0.145 271 G C -1.244 173.620 174.900 -0.060 0.000 1.223 271 G CA -0.183 44.874 45.100 -0.072 0.000 1.058 271 G HN 0.861 nan 8.290 nan 0.000 0.469 272 G N -1.569 107.207 108.800 -0.040 0.000 2.720 272 G HA2 0.675 4.637 3.960 0.004 0.000 0.295 272 G HA3 0.675 4.637 3.960 0.004 0.000 0.295 272 G C -1.821 173.063 174.900 -0.026 0.000 1.437 272 G CA 0.017 45.096 45.100 -0.034 0.000 0.886 272 G HN 1.314 nan 8.290 nan 0.000 0.509 273 V N 1.064 120.961 119.914 -0.028 0.000 2.448 273 V HA 0.424 4.547 4.120 0.004 0.000 0.295 273 V C 0.034 176.122 176.094 -0.009 0.000 1.025 273 V CA -0.720 61.570 62.300 -0.016 0.000 0.859 273 V CB 1.684 33.498 31.823 -0.016 0.000 0.988 273 V HN 0.610 nan 8.190 nan 0.000 0.431 274 V N 8.030 127.950 119.914 0.010 0.000 2.389 274 V HA 0.257 4.380 4.120 0.004 0.000 0.264 274 V C -1.866 174.264 176.094 0.060 0.000 1.049 274 V CA -1.494 60.828 62.300 0.035 0.000 0.932 274 V CB 0.969 32.815 31.823 0.039 0.000 1.011 274 V HN 0.743 nan 8.190 nan 0.000 0.475 275 P HA 0.446 nan 4.420 nan 0.000 0.271 275 P C -0.636 176.736 177.300 0.120 0.000 1.216 275 P CA 0.028 63.202 63.100 0.123 0.000 0.771 275 P CB 1.290 33.114 31.700 0.208 0.000 0.864 276 A N 3.219 126.098 122.820 0.098 0.000 2.517 276 A HA 0.636 4.958 4.320 0.004 0.000 0.297 276 A C -1.874 175.785 177.584 0.125 0.000 1.050 276 A CA -0.524 51.569 52.037 0.093 0.000 0.694 276 A CB 1.109 20.142 19.000 0.055 0.000 1.277 276 A HN 0.420 nan 8.150 nan 0.000 0.400 277 F N 2.348 122.284 119.950 -0.023 0.000 2.467 277 F HA 0.713 5.242 4.527 0.003 0.000 0.336 277 F C 0.365 176.152 175.800 -0.021 0.000 1.123 277 F CA -0.205 57.775 58.000 -0.033 0.000 0.964 277 F CB 1.403 40.373 39.000 -0.051 0.000 1.136 277 F HN 0.699 nan 8.300 nan 0.000 0.447 278 R N 2.568 122.834 120.500 -0.390 0.000 2.902 278 R HA 0.353 4.695 4.340 0.004 0.000 0.258 278 R C -1.195 174.959 176.300 -0.244 0.000 1.071 278 R CA -1.341 54.641 56.100 -0.196 0.000 1.024 278 R CB 0.924 31.149 30.300 -0.124 0.000 1.184 278 R HN 0.477 nan 8.270 nan 0.000 0.492 279 D N 0.454 120.810 120.400 -0.072 0.000 2.472 279 D HA 0.014 4.656 4.640 0.004 0.000 0.237 279 D C 1.071 177.326 176.300 -0.075 0.000 1.141 279 D CA 0.551 54.512 54.000 -0.064 0.000 0.875 279 D CB 0.893 41.625 40.800 -0.113 0.000 1.192 279 D HN 0.791 nan 8.370 nan 0.000 0.450 280 G N 1.295 110.074 108.800 -0.034 0.000 2.920 280 G HA2 -0.041 3.921 3.960 0.004 0.000 0.208 280 G HA3 -0.041 3.921 3.960 0.004 0.000 0.208 280 G C 0.426 175.422 174.900 0.161 0.000 1.159 280 G CA 0.303 45.386 45.100 -0.028 0.000 0.784 280 G HN 0.673 nan 8.290 nan 0.000 0.535 281 H N -2.403 116.809 119.070 0.237 0.000 3.008 281 H HA 0.738 5.297 4.556 0.005 0.000 0.354 281 H C -1.482 174.027 175.328 0.301 0.000 1.252 281 H CA -0.734 55.510 56.048 0.326 0.000 1.117 281 H CB 1.496 31.358 29.762 0.168 0.000 1.857 281 H HN 0.096 nan 8.280 nan 0.000 0.547 282 A N 1.245 124.154 122.820 0.149 0.000 2.455 282 A HA 0.528 4.851 4.320 0.004 0.000 0.300 282 A C -0.900 176.675 177.584 -0.015 0.000 1.040 282 A CA -0.725 51.206 52.037 -0.177 0.000 0.697 282 A CB 1.641 20.204 19.000 -0.728 0.000 1.265 282 A HN 0.669 nan 8.150 nan 0.000 0.407 283 T N 3.364 117.913 114.554 -0.007 0.000 2.743 283 T HA 0.520 4.872 4.350 0.004 0.000 0.292 283 T C 0.309 174.987 174.700 -0.037 0.000 0.972 283 T CA -0.096 62.016 62.100 0.019 0.000 0.967 283 T CB 0.145 69.047 68.868 0.056 0.000 0.926 283 T HN 0.464 nan 8.240 nan 0.000 0.459 284 L N 2.767 123.970 121.223 -0.034 0.000 2.490 284 L HA 0.351 4.694 4.340 0.004 0.000 0.245 284 L C 1.536 178.390 176.870 -0.027 0.000 1.185 284 L CA -0.893 53.920 54.840 -0.046 0.000 0.813 284 L CB 0.309 42.342 42.059 -0.044 0.000 1.233 284 L HN 0.482 nan 8.230 nan 0.000 0.489 285 N N 0.771 119.453 118.700 -0.029 0.000 2.309 285 N HA -0.165 4.577 4.740 0.004 0.000 0.182 285 N C 1.167 176.670 175.510 -0.012 0.000 1.018 285 N CA 0.985 54.024 53.050 -0.019 0.000 0.876 285 N CB -0.382 38.092 38.487 -0.021 0.000 0.972 285 N HN 0.593 nan 8.380 nan 0.000 0.434 286 N N -0.111 118.582 118.700 -0.012 0.000 2.521 286 N HA 0.049 4.791 4.740 0.004 0.000 0.188 286 N C 1.108 176.618 175.510 0.000 0.000 1.146 286 N CA 0.927 53.973 53.050 -0.006 0.000 0.893 286 N CB -0.256 38.227 38.487 -0.007 0.000 0.975 286 N HN 0.249 nan 8.380 nan 0.000 0.451 287 G N -0.534 108.267 108.800 0.003 0.000 2.175 287 G HA2 -0.279 3.684 3.960 0.004 0.000 0.244 287 G HA3 -0.279 3.684 3.960 0.004 0.000 0.244 287 G C -0.165 174.747 174.900 0.020 0.000 0.982 287 G CA 0.115 45.221 45.100 0.011 0.000 0.641 287 G HN 0.442 nan 8.290 nan 0.000 0.527 288 K N 1.120 121.531 120.400 0.019 0.000 2.144 288 K HA 0.486 4.808 4.320 0.004 0.000 0.270 288 K C -0.073 176.554 176.600 0.044 0.000 1.005 288 K CA -0.040 56.266 56.287 0.032 0.000 0.932 288 K CB 0.905 33.422 32.500 0.028 0.000 1.021 288 K HN 0.137 nan 8.250 nan 0.000 0.462 289 T N 3.435 118.031 114.554 0.071 0.000 2.799 289 T HA 0.388 4.740 4.350 0.004 0.000 0.286 289 T C 0.382 175.148 174.700 0.110 0.000 0.973 289 T CA -0.663 61.502 62.100 0.108 0.000 1.035 289 T CB 0.237 69.190 68.868 0.141 0.000 0.932 289 T HN 0.480 nan 8.240 nan 0.000 0.469 290 I N 0.174 120.818 120.570 0.122 0.000 2.648 290 I HA 0.666 4.839 4.170 0.004 0.000 0.304 290 I C -0.903 175.384 176.117 0.284 0.000 1.009 290 I CA -1.319 60.069 61.300 0.147 0.000 1.114 290 I CB 1.238 39.297 38.000 0.098 0.000 1.293 290 I HN 0.292 nan 8.210 nan 0.000 0.449 291 I N 3.529 124.247 120.570 0.247 0.000 2.377 291 I HA 0.445 4.618 4.170 0.004 0.000 0.293 291 I C 0.721 176.906 176.117 0.112 0.000 0.987 291 I CA -0.242 61.194 61.300 0.227 0.000 1.185 291 I CB 1.184 39.280 38.000 0.161 0.000 1.341 291 I HN 0.854 nan 8.210 nan 0.000 0.455 292 G N 6.566 115.288 108.800 -0.130 0.000 2.356 292 G HA2 0.587 4.550 3.960 0.004 0.000 0.298 292 G HA3 0.587 4.550 3.960 0.004 0.000 0.298 292 G C -0.941 173.754 174.900 -0.341 0.000 1.145 292 G CA -0.376 44.333 45.100 -0.652 0.000 0.850 292 G HN 0.532 nan 8.290 nan 0.000 0.487 293 L N 1.837 122.891 121.223 -0.281 0.000 2.422 293 L HA 0.628 4.970 4.340 0.004 0.000 0.264 293 L C 1.007 177.793 176.870 -0.141 0.000 0.984 293 L CA 0.368 55.112 54.840 -0.161 0.000 0.819 293 L CB 1.865 43.870 42.059 -0.090 0.000 1.330 293 L HN 1.062 nan 8.230 nan 0.000 0.410 294 G N 3.216 111.959 108.800 -0.095 0.000 2.561 294 G HA2 -0.348 3.615 3.960 0.004 0.000 0.289 294 G HA3 -0.348 3.615 3.960 0.004 0.000 0.289 294 G C 0.457 175.311 174.900 -0.077 0.000 1.169 294 G CA 0.466 45.534 45.100 -0.053 0.000 0.980 294 G HN 0.687 nan 8.290 nan 0.000 0.550 295 D N 0.123 120.496 120.400 -0.046 0.000 2.218 295 D HA -0.023 4.619 4.640 0.004 0.000 0.204 295 D C 2.412 178.659 176.300 -0.089 0.000 0.976 295 D CA 1.289 55.265 54.000 -0.042 0.000 0.853 295 D CB -0.045 40.755 40.800 0.000 0.000 0.939 295 D HN 0.349 nan 8.370 nan 0.000 0.481 296 I N 0.434 120.920 120.570 -0.140 0.000 2.353 296 I HA -0.203 3.970 4.170 0.004 0.000 0.248 296 I C 2.272 178.192 176.117 -0.328 0.000 1.119 296 I CA 1.076 62.248 61.300 -0.213 0.000 1.417 296 I CB 0.104 37.930 38.000 -0.290 0.000 1.078 296 I HN -0.095 nan 8.210 nan 0.000 0.421 297 Q N 0.339 119.916 119.800 -0.373 0.000 2.212 297 Q HA 0.136 4.478 4.340 0.004 0.000 0.199 297 Q C 0.126 175.809 176.000 -0.529 0.000 0.950 297 Q CA 0.885 56.403 55.803 -0.475 0.000 0.863 297 Q CB 0.325 28.803 28.738 -0.433 0.000 0.944 297 Q HN 0.462 nan 8.270 nan 0.000 0.465 298 A N 0.511 123.150 122.820 -0.301 0.000 2.442 298 A HA 0.450 4.773 4.320 0.004 0.000 0.284 298 A C -1.053 176.507 177.584 -0.040 0.000 1.058 298 A CA -0.581 51.362 52.037 -0.156 0.000 0.738 298 A CB 1.648 20.637 19.000 -0.017 0.000 1.242 298 A HN 0.049 nan 8.150 nan 0.000 0.421 299 T N 2.150 116.701 114.554 -0.004 0.000 2.738 299 T HA 0.452 4.804 4.350 0.004 0.000 0.298 299 T C -0.310 174.416 174.700 0.044 0.000 0.962 299 T CA -0.129 61.981 62.100 0.016 0.000 0.972 299 T CB 0.914 69.790 68.868 0.014 0.000 0.928 299 T HN 0.724 nan 8.240 nan 0.000 0.474 300 V N 3.671 123.606 119.914 0.035 0.000 2.547 300 V HA 0.335 4.458 4.120 0.004 0.000 0.299 300 V C -0.032 176.068 176.094 0.011 0.000 1.040 300 V CA -1.000 61.320 62.300 0.033 0.000 0.913 300 V CB 1.747 33.589 31.823 0.032 0.000 0.992 300 V HN 0.856 nan 8.190 nan 0.000 0.449 301 D N 7.190 127.591 120.400 0.002 0.000 2.425 301 D HA 0.166 4.808 4.640 0.004 0.000 0.247 301 D C -1.740 174.538 176.300 -0.036 0.000 1.147 301 D CA -1.235 52.750 54.000 -0.024 0.000 0.879 301 D CB 2.033 42.807 40.800 -0.043 0.000 1.179 301 D HN 0.416 nan 8.370 nan 0.000 0.456 302 P HA -0.076 nan 4.420 nan 0.000 0.242 302 P C 1.484 178.762 177.300 -0.038 0.000 1.197 302 P CA 0.015 63.094 63.100 -0.034 0.000 0.765 302 P CB 0.328 32.006 31.700 -0.037 0.000 0.936 303 V N -0.044 119.839 119.914 -0.050 0.000 2.380 303 V HA -0.197 3.926 4.120 0.004 0.000 0.251 303 V C 1.805 177.876 176.094 -0.037 0.000 1.063 303 V CA 1.793 64.065 62.300 -0.046 0.000 1.055 303 V CB -0.667 31.120 31.823 -0.060 0.000 0.657 303 V HN 0.010 nan 8.190 nan 0.000 0.455 304 L N 0.496 121.671 121.223 -0.081 0.000 2.640 304 L HA 0.492 4.834 4.340 0.004 0.000 0.230 304 L C 1.539 178.476 176.870 0.113 0.000 1.123 304 L CA 0.966 55.778 54.840 -0.047 0.000 0.900 304 L CB -0.704 41.050 42.059 -0.509 0.000 1.146 304 L HN 0.471 nan 8.230 nan 0.000 0.484 305 G N 0.228 109.060 108.800 0.053 0.000 2.338 305 G HA2 -0.300 3.663 3.960 0.004 0.000 0.296 305 G HA3 -0.300 3.663 3.960 0.004 0.000 0.296 305 G C 0.938 175.897 174.900 0.100 0.000 1.040 305 G CA 0.445 45.588 45.100 0.071 0.000 1.004 305 G HN 0.338 nan 8.290 nan 0.000 0.509 306 Q N -0.709 119.129 119.800 0.064 0.000 2.373 306 Q HA 0.107 4.449 4.340 0.004 0.000 0.210 306 Q C 2.717 178.743 176.000 0.044 0.000 0.913 306 Q CA 1.117 56.964 55.803 0.073 0.000 0.911 306 Q CB -0.357 28.425 28.738 0.074 0.000 1.040 306 Q HN 0.626 nan 8.270 nan 0.000 0.521 307 G N 1.694 110.512 108.800 0.029 0.000 2.599 307 G HA2 -0.334 3.629 3.960 0.004 0.000 0.219 307 G HA3 -0.334 3.629 3.960 0.004 0.000 0.219 307 G C 1.518 176.433 174.900 0.024 0.000 1.193 307 G CA 1.863 46.979 45.100 0.026 0.000 0.778 307 G HN 0.450 nan 8.290 nan 0.000 0.589 308 A N 0.923 123.752 122.820 0.016 0.000 1.902 308 A HA -0.105 4.218 4.320 0.004 0.000 0.217 308 A C 2.289 179.803 177.584 -0.116 0.000 1.181 308 A CA 1.948 53.976 52.037 -0.015 0.000 0.623 308 A CB -0.462 18.554 19.000 0.026 0.000 0.818 308 A HN 0.405 nan 8.150 nan 0.000 0.443 309 N N -0.482 118.170 118.700 -0.081 0.000 2.244 309 N HA -0.102 4.640 4.740 0.004 0.000 0.183 309 N C 1.584 177.107 175.510 0.022 0.000 1.016 309 N CA 1.429 54.443 53.050 -0.061 0.000 0.866 309 N CB -0.332 38.137 38.487 -0.030 0.000 0.980 309 N HN 0.345 nan 8.380 nan 0.000 0.430 310 M N 0.772 120.396 119.600 0.040 0.000 2.200 310 M HA 0.058 4.540 4.480 0.004 0.000 0.265 310 M C 2.227 178.600 176.300 0.123 0.000 1.066 310 M CA 0.530 55.891 55.300 0.102 0.000 1.127 310 M CB -1.277 31.371 32.600 0.080 0.000 1.379 310 M HN 0.057 nan 8.290 nan 0.000 0.420 311 A N -0.478 122.373 122.820 0.052 0.000 1.877 311 A HA -0.158 4.165 4.320 0.004 0.000 0.216 311 A C 2.541 180.143 177.584 0.031 0.000 1.186 311 A CA 2.341 54.394 52.037 0.026 0.000 0.620 311 A CB -1.021 17.981 19.000 0.003 0.000 0.822 311 A HN 0.471 nan 8.150 nan 0.000 0.443 312 S N -2.008 113.695 115.700 0.005 0.000 2.368 312 S HA -0.189 4.283 4.470 0.004 0.000 0.225 312 S C 1.902 176.631 174.600 0.216 0.000 1.030 312 S CA 1.633 59.888 58.200 0.093 0.000 0.999 312 S CB -0.564 62.671 63.200 0.060 0.000 0.844 312 S HN 0.662 nan 8.310 nan 0.000 0.459 313 Y N 2.079 122.417 120.300 0.063 0.000 2.097 313 Y HA -0.092 4.460 4.550 0.004 0.000 0.282 313 Y C 2.395 178.353 175.900 0.096 0.000 1.152 313 Y CA 1.663 59.806 58.100 0.071 0.000 1.136 313 Y CB -1.035 37.443 38.460 0.031 0.000 0.975 313 Y HN 0.281 nan 8.280 nan 0.000 0.498 314 A N 0.572 123.397 122.820 0.007 0.000 1.969 314 A HA -0.050 4.272 4.320 0.004 0.000 0.218 314 A C 2.395 179.917 177.584 -0.103 0.000 1.169 314 A CA 1.667 53.636 52.037 -0.114 0.000 0.635 314 A CB -1.471 17.539 19.000 0.018 0.000 0.810 314 A HN 0.662 nan 8.150 nan 0.000 0.445 315 A N -1.263 121.548 122.820 -0.016 0.000 1.933 315 A HA -0.185 4.137 4.320 0.004 0.000 0.218 315 A C 2.088 179.609 177.584 -0.106 0.000 1.175 315 A CA 1.353 53.381 52.037 -0.014 0.000 0.628 315 A CB -0.800 18.254 19.000 0.090 0.000 0.814 315 A HN 0.836 nan 8.150 nan 0.000 0.444 316 W N 0.238 121.384 121.300 -0.257 0.000 2.381 316 W HA -0.149 4.513 4.660 0.004 0.000 0.301 316 W C 1.687 177.877 176.519 -0.548 0.000 1.205 316 W CA 1.693 58.770 57.345 -0.448 0.000 1.285 316 W CB -0.310 29.004 29.460 -0.242 0.000 1.133 316 W HN 0.316 nan 8.180 nan 0.000 0.521 317 I N 0.566 121.024 120.570 -0.187 0.000 2.202 317 I HA -0.297 3.875 4.170 0.004 0.000 0.242 317 I C 2.495 178.483 176.117 -0.215 0.000 1.091 317 I CA 1.098 62.271 61.300 -0.212 0.000 1.368 317 I CB -1.287 36.537 38.000 -0.292 0.000 1.058 317 I HN -0.113 nan 8.210 nan 0.000 0.410 318 L N 0.611 121.714 121.223 -0.201 0.000 2.083 318 L HA -0.073 4.269 4.340 0.004 0.000 0.209 318 L C 2.336 179.132 176.870 -0.123 0.000 1.083 318 L CA 2.146 56.916 54.840 -0.115 0.000 0.752 318 L CB -1.403 40.608 42.059 -0.079 0.000 0.899 318 L HN 0.258 nan 8.230 nan 0.000 0.433 319 G N -1.106 107.487 108.800 -0.345 0.000 2.446 319 G HA2 -0.260 3.702 3.960 0.004 0.000 0.217 319 G HA3 -0.260 3.702 3.960 0.004 0.000 0.217 319 G C 1.451 176.191 174.900 -0.267 0.000 1.168 319 G CA 0.818 45.659 45.100 -0.431 0.000 0.771 319 G HN 0.538 nan 8.290 nan 0.000 0.551 320 E N 0.143 120.072 120.200 -0.451 0.000 2.110 320 E HA -0.095 4.257 4.350 0.004 0.000 0.193 320 E C 2.467 179.095 176.600 0.046 0.000 0.988 320 E CA 0.855 57.185 56.400 -0.116 0.000 0.804 320 E CB 0.004 29.642 29.700 -0.104 0.000 0.745 320 E HN 0.306 nan 8.360 nan 0.000 0.458 321 E N 0.501 120.756 120.200 0.092 0.000 2.208 321 E HA -0.095 4.258 4.350 0.004 0.000 0.193 321 E C 2.074 179.019 176.600 0.574 0.000 0.988 321 E CA 0.499 57.095 56.400 0.327 0.000 0.828 321 E CB -0.026 29.782 29.700 0.180 0.000 0.763 321 E HN 0.360 nan 8.360 nan 0.000 0.478 322 I N 0.696 121.495 120.570 0.381 0.000 2.315 322 I HA -0.251 3.922 4.170 0.004 0.000 0.248 322 I C 2.258 178.532 176.117 0.262 0.000 1.117 322 I CA 0.779 62.275 61.300 0.327 0.000 1.404 322 I CB -0.154 37.897 38.000 0.085 0.000 1.071 322 I HN 0.051 nan 8.210 nan 0.000 0.419 323 L N 0.273 121.583 121.223 0.145 0.000 2.093 323 L HA -0.131 4.212 4.340 0.004 0.000 0.208 323 L C 2.695 179.588 176.870 0.039 0.000 1.085 323 L CA 1.239 56.109 54.840 0.050 0.000 0.755 323 L CB -0.696 41.323 42.059 -0.066 0.000 0.904 323 L HN 0.200 nan 8.230 nan 0.000 0.435 324 A N -1.890 120.967 122.820 0.061 0.000 2.067 324 A HA -0.007 4.316 4.320 0.004 0.000 0.217 324 A C 0.890 178.340 177.584 -0.224 0.000 1.156 324 A CA 0.569 52.562 52.037 -0.072 0.000 0.683 324 A CB -0.329 18.619 19.000 -0.087 0.000 0.808 324 A HN 0.321 nan 8.150 nan 0.000 0.455 325 H N -2.019 117.057 119.070 0.010 0.000 2.616 325 H HA 0.480 5.039 4.556 0.004 0.000 0.353 325 H C -0.001 175.119 175.328 -0.346 0.000 1.170 325 H CA -0.205 55.763 56.048 -0.134 0.000 1.212 325 H CB 2.075 31.816 29.762 -0.036 0.000 1.653 325 H HN 0.183 nan 8.280 nan 0.000 0.537 326 S N 0.708 116.202 115.700 -0.343 0.000 2.593 326 S HA 0.122 4.595 4.470 0.004 0.000 0.235 326 S C 0.239 174.430 174.600 -0.682 0.000 1.059 326 S CA -0.149 57.778 58.200 -0.456 0.000 0.953 326 S CB 0.942 64.015 63.200 -0.213 0.000 0.897 326 S HN 0.230 nan 8.310 nan 0.000 0.507 327 V N 3.068 122.620 119.914 -0.603 0.000 2.357 327 V HA 0.383 4.506 4.120 0.004 0.000 0.284 327 V C -1.418 174.331 176.094 -0.576 0.000 1.018 327 V CA -0.574 61.444 62.300 -0.469 0.000 0.841 327 V CB 0.499 32.212 31.823 -0.184 0.000 0.991 327 V HN 0.361 nan 8.190 nan 0.000 0.437 328 Y N 4.245 124.397 120.300 -0.248 0.000 2.907 328 Y HA 0.431 4.983 4.550 0.004 0.000 0.332 328 Y C 0.494 176.346 175.900 -0.080 0.000 1.211 328 Y CA -1.268 56.595 58.100 -0.394 0.000 1.387 328 Y CB -0.067 38.066 38.460 -0.545 0.000 1.396 328 Y HN 0.814 nan 8.280 nan 0.000 0.519 329 D N -1.060 119.416 120.400 0.127 0.000 2.726 329 D HA 0.221 4.863 4.640 0.004 0.000 0.241 329 D C 0.996 177.363 176.300 0.111 0.000 1.150 329 D CA -0.680 53.385 54.000 0.108 0.000 1.089 329 D CB 0.186 41.017 40.800 0.052 0.000 1.260 329 D HN 0.224 nan 8.370 nan 0.000 0.637 330 L N -1.138 120.100 121.223 0.026 0.000 2.083 330 L HA -0.050 4.293 4.340 0.004 0.000 0.209 330 L C 2.551 179.401 176.870 -0.033 0.000 1.083 330 L CA 0.994 55.793 54.840 -0.069 0.000 0.752 330 L CB -0.384 41.636 42.059 -0.066 0.000 0.899 330 L HN 0.260 nan 8.230 nan 0.000 0.433 331 R N 0.357 120.883 120.500 0.043 0.000 2.075 331 R HA -0.216 4.127 4.340 0.004 0.000 0.232 331 R C 2.180 178.572 176.300 0.153 0.000 1.126 331 R CA 1.606 57.764 56.100 0.097 0.000 0.963 331 R CB -0.886 29.491 30.300 0.128 0.000 0.858 331 R HN 0.273 nan 8.270 nan 0.000 0.435 332 F N 0.447 120.357 119.950 -0.066 0.000 2.126 332 F HA -0.165 4.364 4.527 0.004 0.000 0.299 332 F C 2.363 178.097 175.800 -0.110 0.000 1.096 332 F CA 2.004 59.862 58.000 -0.236 0.000 1.255 332 F CB -0.943 37.931 39.000 -0.210 0.000 0.997 332 F HN 0.131 nan 8.300 nan 0.000 0.479 333 S N -0.185 115.434 115.700 -0.135 0.000 2.383 333 S HA -0.229 4.244 4.470 0.004 0.000 0.229 333 S C 1.994 176.469 174.600 -0.210 0.000 1.030 333 S CA 1.723 59.785 58.200 -0.229 0.000 1.002 333 S CB -0.504 62.549 63.200 -0.245 0.000 0.829 333 S HN 0.642 nan 8.310 nan 0.000 0.467 334 E N -0.544 119.571 120.200 -0.142 0.000 2.051 334 E HA -0.176 4.176 4.350 0.004 0.000 0.192 334 E C 1.996 178.513 176.600 -0.139 0.000 0.991 334 E CA 1.534 57.866 56.400 -0.114 0.000 0.799 334 E CB -0.270 29.372 29.700 -0.096 0.000 0.748 334 E HN 0.667 nan 8.360 nan 0.000 0.449 335 H N 0.138 119.099 119.070 -0.181 0.000 2.352 335 H HA -0.159 4.400 4.556 0.004 0.000 0.299 335 H C 1.982 177.188 175.328 -0.203 0.000 1.097 335 H CA 1.529 57.485 56.048 -0.154 0.000 1.311 335 H CB -0.060 29.613 29.762 -0.149 0.000 1.377 335 H HN 0.068 nan 8.280 nan 0.000 0.504 336 L N 0.735 121.808 121.223 -0.250 0.000 2.017 336 L HA -0.138 4.205 4.340 0.004 0.000 0.208 336 L C 1.871 178.668 176.870 -0.122 0.000 1.073 336 L CA 1.746 56.423 54.840 -0.272 0.000 0.745 336 L CB -0.321 41.458 42.059 -0.466 0.000 0.894 336 L HN 0.167 nan 8.230 nan 0.000 0.432 337 E N -0.256 119.890 120.200 -0.090 0.000 2.106 337 E HA -0.246 4.106 4.350 0.004 0.000 0.192 337 E C 2.328 178.933 176.600 0.007 0.000 0.984 337 E CA 0.915 57.309 56.400 -0.011 0.000 0.806 337 E CB -0.446 29.267 29.700 0.021 0.000 0.750 337 E HN 0.340 nan 8.360 nan 0.000 0.458 338 R N 1.407 121.893 120.500 -0.024 0.000 2.117 338 R HA -0.095 4.247 4.340 0.004 0.000 0.243 338 R C 2.140 178.452 176.300 0.021 0.000 1.143 338 R CA 1.551 57.643 56.100 -0.014 0.000 0.968 338 R CB -0.090 30.176 30.300 -0.057 0.000 0.863 338 R HN 0.076 nan 8.270 nan 0.000 0.444 339 R N -0.840 119.673 120.500 0.021 0.000 2.090 339 R HA 0.031 4.373 4.340 0.004 0.000 0.219 339 R C 2.280 178.641 176.300 0.101 0.000 1.100 339 R CA 1.524 57.653 56.100 0.048 0.000 0.991 339 R CB -0.096 30.214 30.300 0.016 0.000 0.893 339 R HN 0.333 nan 8.270 nan 0.000 0.443 340 R N 0.039 120.588 120.500 0.082 0.000 2.206 340 R HA 0.134 4.476 4.340 0.004 0.000 0.198 340 R C 1.883 178.337 176.300 0.258 0.000 0.986 340 R CA 0.231 56.444 56.100 0.189 0.000 1.029 340 R CB -0.160 30.167 30.300 0.045 0.000 0.966 340 R HN 0.057 nan 8.270 nan 0.000 0.487 341 Q N 1.239 121.135 119.800 0.161 0.000 2.061 341 Q HA -0.217 4.125 4.340 0.004 0.000 0.204 341 Q C 1.199 177.271 176.000 0.119 0.000 0.984 341 Q CA 2.315 58.220 55.803 0.169 0.000 0.846 341 Q CB -0.182 28.640 28.738 0.140 0.000 0.902 341 Q HN 0.389 nan 8.270 nan 0.000 0.421 342 D N 0.064 120.511 120.400 0.078 0.000 2.103 342 D HA -0.215 4.427 4.640 0.004 0.000 0.190 342 D C 1.947 178.240 176.300 -0.011 0.000 0.997 342 D CA 1.636 55.647 54.000 0.020 0.000 0.833 342 D CB -0.057 40.759 40.800 0.027 0.000 0.961 342 D HN 0.077 nan 8.370 nan 0.000 0.447 343 R N -0.300 120.195 120.500 -0.008 0.000 2.083 343 R HA -0.119 4.224 4.340 0.004 0.000 0.237 343 R C 2.213 178.474 176.300 -0.064 0.000 1.137 343 R CA 1.518 57.547 56.100 -0.118 0.000 0.951 343 R CB -0.354 29.699 30.300 -0.413 0.000 0.851 343 R HN 0.141 nan 8.270 nan 0.000 0.434 344 V N 1.208 121.154 119.914 0.052 0.000 2.307 344 V HA -0.227 3.895 4.120 0.004 0.000 0.245 344 V C 2.268 178.441 176.094 0.132 0.000 1.045 344 V CA 1.569 63.953 62.300 0.141 0.000 1.024 344 V CB -0.559 31.414 31.823 0.249 0.000 0.651 344 V HN 0.350 nan 8.190 nan 0.000 0.449 345 L N -0.166 121.072 121.223 0.026 0.000 2.083 345 L HA -0.143 4.199 4.340 0.004 0.000 0.209 345 L C 2.335 178.982 176.870 -0.372 0.000 1.083 345 L CA 1.984 56.611 54.840 -0.355 0.000 0.752 345 L CB -0.830 40.931 42.059 -0.497 0.000 0.899 345 L HN 0.362 nan 8.230 nan 0.000 0.433 346 C N -0.679 118.462 119.300 -0.266 0.000 2.435 346 C HA -0.026 4.436 4.460 0.004 0.000 0.279 346 C C 2.976 177.884 174.990 -0.137 0.000 1.321 346 C CA 0.481 59.312 59.018 -0.312 0.000 1.752 346 C CB -1.544 26.116 27.740 -0.133 0.000 1.959 346 C HN 0.705 nan 8.230 nan 0.000 0.500 347 A N 0.073 122.876 122.820 -0.028 0.000 1.902 347 A HA -0.185 4.138 4.320 0.004 0.000 0.217 347 A C 2.212 179.812 177.584 0.027 0.000 1.181 347 A CA 2.520 54.609 52.037 0.087 0.000 0.623 347 A CB -1.019 18.026 19.000 0.075 0.000 0.818 347 A HN 0.534 nan 8.150 nan 0.000 0.443 348 T N -0.571 113.952 114.554 -0.052 0.000 2.737 348 T HA -0.107 4.246 4.350 0.004 0.000 0.265 348 T C 2.107 176.697 174.700 -0.183 0.000 1.038 348 T CA 1.475 63.528 62.100 -0.077 0.000 1.144 348 T CB -0.207 68.627 68.868 -0.057 0.000 0.866 348 T HN 0.501 nan 8.240 nan 0.000 0.434 349 R N -0.529 119.727 120.500 -0.407 0.000 2.075 349 R HA -0.084 4.259 4.340 0.004 0.000 0.232 349 R C 2.273 178.334 176.300 -0.398 0.000 1.126 349 R CA 1.407 57.087 56.100 -0.701 0.000 0.963 349 R CB -0.338 29.014 30.300 -1.580 0.000 0.858 349 R HN 0.425 nan 8.270 nan 0.000 0.435 350 W N 1.841 122.937 121.300 -0.341 0.000 2.388 350 W HA -0.094 4.569 4.660 0.005 0.000 0.294 350 W C 1.744 178.308 176.519 0.074 0.000 1.212 350 W CA 1.333 58.706 57.345 0.047 0.000 1.271 350 W CB -0.546 28.949 29.460 0.058 0.000 1.126 350 W HN -0.101 nan 8.180 nan 0.000 0.535 351 T N 0.532 115.030 114.554 -0.093 0.000 2.737 351 T HA -0.209 4.144 4.350 0.004 0.000 0.265 351 T C 1.537 176.202 174.700 -0.058 0.000 1.038 351 T CA 1.952 63.929 62.100 -0.204 0.000 1.144 351 T CB -0.537 68.252 68.868 -0.131 0.000 0.866 351 T HN 0.293 nan 8.240 nan 0.000 0.434 352 N N 0.255 118.986 118.700 0.052 0.000 2.120 352 N HA -0.051 4.692 4.740 0.004 0.000 0.188 352 N C 1.679 177.305 175.510 0.194 0.000 1.024 352 N CA 0.918 54.093 53.050 0.207 0.000 0.852 352 N CB -0.247 38.310 38.487 0.118 0.000 1.003 352 N HN 0.282 nan 8.380 nan 0.000 0.424 353 F N 2.098 122.079 119.950 0.053 0.000 2.095 353 F HA -0.195 4.335 4.527 0.005 0.000 0.298 353 F C 2.268 178.015 175.800 -0.088 0.000 1.104 353 F CA 1.379 59.432 58.000 0.088 0.000 1.232 353 F CB -0.644 38.557 39.000 0.336 0.000 0.987 353 F HN -0.097 nan 8.300 nan 0.000 0.475 354 T N 1.710 116.187 114.554 -0.128 0.000 2.777 354 T HA -0.153 4.199 4.350 0.004 0.000 0.266 354 T C 2.131 176.591 174.700 -0.400 0.000 1.040 354 T CA 1.691 63.575 62.100 -0.358 0.000 1.141 354 T CB -0.575 68.121 68.868 -0.286 0.000 0.868 354 T HN 0.253 nan 8.240 nan 0.000 0.444 355 L N 0.815 121.883 121.223 -0.258 0.000 2.012 355 L HA -0.126 4.216 4.340 0.004 0.000 0.210 355 L C 2.853 179.547 176.870 -0.294 0.000 1.073 355 L CA 1.145 55.835 54.840 -0.250 0.000 0.748 355 L CB -0.572 41.356 42.059 -0.219 0.000 0.891 355 L HN 0.223 nan 8.230 nan 0.000 0.431 356 S N -0.510 115.041 115.700 -0.248 0.000 2.387 356 S HA -0.047 4.425 4.470 0.004 0.000 0.226 356 S C 2.140 176.509 174.600 -0.386 0.000 1.026 356 S CA 0.954 59.018 58.200 -0.226 0.000 0.972 356 S CB -0.143 63.021 63.200 -0.059 0.000 0.814 356 S HN 0.474 nan 8.310 nan 0.000 0.477 357 A N 1.232 123.631 122.820 -0.702 0.000 1.930 357 A HA 0.035 4.358 4.320 0.004 0.000 0.217 357 A C 1.920 179.050 177.584 -0.756 0.000 1.175 357 A CA 0.984 52.433 52.037 -0.981 0.000 0.627 357 A CB -0.484 17.377 19.000 -1.899 0.000 0.815 357 A HN 0.364 nan 8.150 nan 0.000 0.443 358 L N 0.633 121.492 121.223 -0.606 0.000 2.141 358 L HA -0.104 4.238 4.340 0.004 0.000 0.209 358 L C 2.885 179.791 176.870 0.061 0.000 1.094 358 L CA 2.338 56.972 54.840 -0.343 0.000 0.763 358 L CB -0.887 40.930 42.059 -0.405 0.000 0.908 358 L HN 0.604 nan 8.230 nan 0.000 0.437 359 S N -1.546 114.122 115.700 -0.053 0.000 2.406 359 S HA 0.052 4.525 4.470 0.004 0.000 0.224 359 S C 1.995 176.613 174.600 0.029 0.000 1.030 359 S CA 0.539 58.749 58.200 0.017 0.000 0.958 359 S CB -0.321 62.769 63.200 -0.183 0.000 0.811 359 S HN 0.252 nan 8.310 nan 0.000 0.489 360 A N 1.370 124.163 122.820 -0.045 0.000 1.984 360 A HA 0.524 4.846 4.320 0.004 0.000 0.214 360 A C 1.000 178.600 177.584 0.026 0.000 1.173 360 A CA 0.215 52.241 52.037 -0.018 0.000 0.673 360 A CB -0.728 18.240 19.000 -0.053 0.000 0.830 360 A HN 0.650 nan 8.150 nan 0.000 0.453 361 L N -0.431 120.806 121.223 0.024 0.000 3.721 361 L HA -0.123 4.219 4.340 0.004 0.000 0.625 361 L C -2.504 174.449 176.870 0.139 0.000 1.186 361 L CA -0.653 54.269 54.840 0.136 0.000 0.961 361 L CB -1.625 40.563 42.059 0.215 0.000 1.418 361 L HN 0.248 nan 8.230 nan 0.000 0.838 362 P HA 0.184 nan 4.420 nan 0.000 0.274 362 P C -1.682 175.737 177.300 0.199 0.000 1.237 362 P CA -1.372 61.810 63.100 0.136 0.000 0.793 362 P CB 0.389 32.158 31.700 0.116 0.000 0.977 363 P HA -0.232 nan 4.420 nan 0.000 0.215 363 P C 1.408 178.808 177.300 0.167 0.000 1.157 363 P CA 1.641 64.823 63.100 0.136 0.000 0.874 363 P CB -0.206 31.554 31.700 0.099 0.000 0.790 364 E N -0.964 119.354 120.200 0.197 0.000 2.204 364 E HA -0.187 4.165 4.350 0.004 0.000 0.194 364 E C 1.938 178.735 176.600 0.330 0.000 0.989 364 E CA 1.080 57.614 56.400 0.223 0.000 0.824 364 E CB -1.277 28.550 29.700 0.212 0.000 0.756 364 E HN 0.266 nan 8.360 nan 0.000 0.477 365 F N 1.588 121.679 119.950 0.235 0.000 2.234 365 F HA 0.126 4.656 4.527 0.005 0.000 0.296 365 F C 2.169 178.146 175.800 0.295 0.000 1.089 365 F CA 0.632 58.827 58.000 0.324 0.000 1.343 365 F CB -0.025 39.108 39.000 0.222 0.000 1.040 365 F HN -0.121 nan 8.300 nan 0.000 0.498 366 L N -0.151 121.219 121.223 0.245 0.000 2.083 366 L HA -0.166 4.177 4.340 0.004 0.000 0.209 366 L C 2.749 179.615 176.870 -0.006 0.000 1.083 366 L CA 1.131 56.029 54.840 0.097 0.000 0.752 366 L CB -1.170 40.968 42.059 0.132 0.000 0.899 366 L HN 0.198 nan 8.230 nan 0.000 0.433 367 A N -0.017 122.829 122.820 0.043 0.000 1.972 367 A HA -0.255 4.067 4.320 0.004 0.000 0.219 367 A C 2.158 179.712 177.584 -0.051 0.000 1.169 367 A CA 1.461 53.497 52.037 -0.001 0.000 0.635 367 A CB -0.745 18.280 19.000 0.042 0.000 0.810 367 A HN 0.455 nan 8.150 nan 0.000 0.446 368 F N 0.699 120.555 119.950 -0.158 0.000 2.113 368 F HA -0.102 4.428 4.527 0.004 0.000 0.297 368 F C 1.738 177.318 175.800 -0.367 0.000 1.103 368 F CA 1.622 59.473 58.000 -0.247 0.000 1.248 368 F CB -0.432 38.478 39.000 -0.150 0.000 0.999 368 F HN 0.123 nan 8.300 nan 0.000 0.475 369 L N 0.075 120.818 121.223 -0.800 0.000 2.131 369 L HA -0.224 4.118 4.340 0.004 0.000 0.210 369 L C 2.526 179.030 176.870 -0.610 0.000 1.092 369 L CA 1.452 55.798 54.840 -0.823 0.000 0.759 369 L CB -0.805 40.989 42.059 -0.442 0.000 0.903 369 L HN 0.287 nan 8.230 nan 0.000 0.435 370 Q N -0.433 119.115 119.800 -0.420 0.000 2.020 370 Q HA -0.210 4.132 4.340 0.004 0.000 0.198 370 Q C 2.245 178.002 176.000 -0.404 0.000 0.974 370 Q CA 1.453 57.056 55.803 -0.332 0.000 0.829 370 Q CB -0.163 28.456 28.738 -0.198 0.000 0.894 370 Q HN 0.358 nan 8.270 nan 0.000 0.433 371 I N 0.471 120.800 120.570 -0.402 0.000 2.286 371 I HA -0.219 3.953 4.170 0.004 0.000 0.248 371 I C 1.910 177.676 176.117 -0.585 0.000 1.115 371 I CA 0.918 61.977 61.300 -0.403 0.000 1.392 371 I CB -0.193 37.623 38.000 -0.307 0.000 1.065 371 I HN 0.169 nan 8.210 nan 0.000 0.418 372 L N 0.358 121.096 121.223 -0.807 0.000 2.046 372 L HA -0.203 4.139 4.340 0.004 0.000 0.208 372 L C 2.737 178.928 176.870 -1.132 0.000 1.077 372 L CA 2.328 56.596 54.840 -0.955 0.000 0.747 372 L CB -0.867 40.468 42.059 -1.207 0.000 0.896 372 L HN 0.524 nan 8.230 nan 0.000 0.432 373 S N -1.816 113.100 115.700 -1.306 0.000 2.453 373 S HA -0.171 4.301 4.470 0.004 0.000 0.231 373 S C 1.687 175.864 174.600 -0.706 0.000 1.005 373 S CA 0.992 58.265 58.200 -1.546 0.000 0.949 373 S CB -0.387 62.248 63.200 -0.941 0.000 0.774 373 S HN 0.687 nan 8.310 nan 0.000 0.510 374 Q N 0.555 120.052 119.800 -0.505 0.000 2.247 374 Q HA 0.373 4.716 4.340 0.004 0.000 0.211 374 Q C -0.115 175.745 176.000 -0.233 0.000 0.861 374 Q CA -0.114 55.519 55.803 -0.284 0.000 0.949 374 Q CB 0.886 29.491 28.738 -0.223 0.000 1.115 374 Q HN 0.423 nan 8.270 nan 0.000 0.507 375 S N -0.024 115.488 115.700 -0.313 0.000 2.756 375 S HA 0.351 4.823 4.470 0.004 0.000 0.303 375 S C 0.140 174.611 174.600 -0.215 0.000 1.135 375 S CA -0.625 57.426 58.200 -0.248 0.000 1.066 375 S CB 1.087 64.077 63.200 -0.350 0.000 1.008 375 S HN 0.170 nan 8.310 nan 0.000 0.482 376 R N 3.637 124.094 120.500 -0.072 0.000 2.075 376 R HA -0.035 4.308 4.340 0.004 0.000 0.232 376 R C 1.995 178.301 176.300 0.011 0.000 1.126 376 R CA 2.445 58.555 56.100 0.018 0.000 0.963 376 R CB -0.367 29.979 30.300 0.077 0.000 0.858 376 R HN 0.795 nan 8.270 nan 0.000 0.435 377 E N 0.276 120.480 120.200 0.008 0.000 2.110 377 E HA -0.265 4.087 4.350 0.004 0.000 0.193 377 E C 1.966 178.536 176.600 -0.050 0.000 0.988 377 E CA 1.461 57.909 56.400 0.079 0.000 0.804 377 E CB -0.631 29.209 29.700 0.232 0.000 0.745 377 E HN 0.483 nan 8.360 nan 0.000 0.458 378 M N 0.913 120.188 119.600 -0.541 0.000 2.156 378 M HA -0.014 4.468 4.480 0.004 0.000 0.264 378 M C 2.341 178.514 176.300 -0.213 0.000 1.067 378 M CA 1.636 56.379 55.300 -0.928 0.000 1.131 378 M CB -0.088 31.533 32.600 -1.631 0.000 1.368 378 M HN 0.183 nan 8.290 nan 0.000 0.416 379 A N 0.452 123.203 122.820 -0.114 0.000 1.902 379 A HA -0.199 4.124 4.320 0.004 0.000 0.217 379 A C 1.624 179.361 177.584 0.255 0.000 1.181 379 A CA 2.100 54.228 52.037 0.153 0.000 0.623 379 A CB -0.895 18.239 19.000 0.223 0.000 0.818 379 A HN 0.529 nan 8.150 nan 0.000 0.443 380 D N -0.609 119.883 120.400 0.153 0.000 2.097 380 D HA -0.168 4.475 4.640 0.004 0.000 0.195 380 D C 1.911 178.340 176.300 0.214 0.000 0.989 380 D CA 1.569 55.655 54.000 0.142 0.000 0.827 380 D CB -0.372 40.501 40.800 0.122 0.000 0.966 380 D HN 0.726 nan 8.370 nan 0.000 0.456 381 E N -0.548 119.818 120.200 0.277 0.000 2.051 381 E HA -0.180 4.172 4.350 0.004 0.000 0.192 381 E C 2.062 178.935 176.600 0.454 0.000 0.991 381 E CA 0.519 57.134 56.400 0.359 0.000 0.799 381 E CB -0.201 29.783 29.700 0.474 0.000 0.748 381 E HN 0.181 nan 8.360 nan 0.000 0.449 382 F N 1.547 121.768 119.950 0.451 0.000 2.126 382 F HA -0.193 4.336 4.527 0.004 0.000 0.299 382 F C 2.220 178.405 175.800 0.642 0.000 1.096 382 F CA 1.977 60.330 58.000 0.588 0.000 1.255 382 F CB -0.677 38.739 39.000 0.694 0.000 0.997 382 F HN -0.024 nan 8.300 nan 0.000 0.479 383 T N -0.432 114.372 114.554 0.416 0.000 2.674 383 T HA -0.227 4.126 4.350 0.004 0.000 0.265 383 T C 1.513 176.301 174.700 0.147 0.000 1.039 383 T CA 1.823 64.055 62.100 0.220 0.000 1.150 383 T CB -0.574 68.305 68.868 0.020 0.000 0.864 383 T HN 0.302 nan 8.240 nan 0.000 0.427 384 D N 0.954 121.436 120.400 0.136 0.000 2.218 384 D HA -0.071 4.572 4.640 0.004 0.000 0.204 384 D C 1.780 178.197 176.300 0.194 0.000 0.976 384 D CA 0.605 54.683 54.000 0.130 0.000 0.853 384 D CB -0.243 40.652 40.800 0.157 0.000 0.939 384 D HN 0.090 nan 8.370 nan 0.000 0.481 385 N N -0.601 118.233 118.700 0.224 0.000 2.571 385 N HA -0.064 4.679 4.740 0.004 0.000 0.189 385 N C 0.930 176.434 175.510 -0.011 0.000 1.154 385 N CA 0.130 53.271 53.050 0.151 0.000 0.907 385 N CB -0.287 38.214 38.487 0.023 0.000 0.977 385 N HN 0.310 nan 8.380 nan 0.000 0.449 386 F N 0.929 120.863 119.950 -0.027 0.000 2.269 386 F HA -0.122 4.407 4.527 0.004 0.000 0.301 386 F C 1.671 177.463 175.800 -0.014 0.000 1.082 386 F CA 0.768 58.843 58.000 0.126 0.000 1.360 386 F CB -0.034 39.114 39.000 0.247 0.000 1.041 386 F HN 0.067 nan 8.300 nan 0.000 0.512 387 N N -1.327 117.333 118.700 -0.068 0.000 2.396 387 N HA -0.122 4.620 4.740 0.004 0.000 0.180 387 N C -0.689 174.399 175.510 -0.703 0.000 1.028 387 N CA 0.847 53.614 53.050 -0.473 0.000 0.893 387 N CB -0.187 37.810 38.487 -0.815 0.000 0.967 387 N HN 0.214 nan 8.380 nan 0.000 0.440 388 Y N -0.931 119.328 120.300 -0.068 0.000 2.705 388 Y HA 0.343 4.895 4.550 0.004 0.000 0.355 388 Y C -1.850 173.913 175.900 -0.229 0.000 1.039 388 Y CA -2.296 55.719 58.100 -0.142 0.000 1.233 388 Y CB 1.418 39.801 38.460 -0.129 0.000 1.103 388 Y HN -0.037 nan 8.280 nan 0.000 0.624 389 P HA -0.199 nan 4.420 nan 0.000 0.222 389 P C 1.164 178.376 177.300 -0.146 0.000 1.147 389 P CA 1.499 64.495 63.100 -0.173 0.000 0.790 389 P CB 0.497 32.219 31.700 0.038 0.000 0.780 390 E N 2.286 122.436 120.200 -0.084 0.000 2.110 390 E HA -0.211 4.141 4.350 0.004 0.000 0.193 390 E C 1.949 178.502 176.600 -0.078 0.000 0.988 390 E CA 1.169 57.542 56.400 -0.045 0.000 0.804 390 E CB -0.836 28.839 29.700 -0.042 0.000 0.745 390 E HN 0.395 nan 8.360 nan 0.000 0.458 391 R N 0.238 120.651 120.500 -0.144 0.000 2.240 391 R HA 0.088 4.431 4.340 0.004 0.000 0.203 391 R C 2.094 178.172 176.300 -0.369 0.000 1.011 391 R CA 0.292 56.255 56.100 -0.229 0.000 1.007 391 R CB -0.094 30.075 30.300 -0.218 0.000 0.911 391 R HN 0.013 nan 8.270 nan 0.000 0.468 392 Q N 0.597 120.137 119.800 -0.434 0.000 2.079 392 Q HA -0.162 4.181 4.340 0.004 0.000 0.200 392 Q C 1.645 177.439 176.000 -0.344 0.000 0.974 392 Q CA 1.364 56.790 55.803 -0.628 0.000 0.840 392 Q CB -0.338 27.547 28.738 -1.422 0.000 0.898 392 Q HN 0.568 nan 8.270 nan 0.000 0.430 393 W N 1.917 122.980 121.300 -0.394 0.000 2.425 393 W HA -0.161 4.501 4.660 0.004 0.000 0.277 393 W C 0.411 176.770 176.519 -0.266 0.000 1.231 393 W CA 0.873 58.076 57.345 -0.236 0.000 1.248 393 W CB 0.314 29.683 29.460 -0.152 0.000 1.117 393 W HN 0.168 nan 8.180 nan 0.000 0.568 394 D N 0.069 120.294 120.400 -0.291 0.000 2.218 394 D HA -0.163 4.480 4.640 0.004 0.000 0.204 394 D C 2.152 178.138 176.300 -0.523 0.000 0.976 394 D CA 1.147 54.918 54.000 -0.381 0.000 0.853 394 D CB -0.082 40.536 40.800 -0.304 0.000 0.939 394 D HN 0.188 nan 8.370 nan 0.000 0.481 395 R N -0.591 119.495 120.500 -0.689 0.000 2.128 395 R HA 0.088 4.430 4.340 0.004 0.000 0.211 395 R C 1.735 177.517 176.300 -0.863 0.000 1.067 395 R CA 0.409 55.970 56.100 -0.899 0.000 1.010 395 R CB -0.611 28.770 30.300 -1.532 0.000 0.922 395 R HN 0.260 nan 8.270 nan 0.000 0.457 396 F N 1.296 120.866 119.950 -0.634 0.000 2.731 396 F HA 0.090 4.620 4.527 0.005 0.000 0.298 396 F C 2.231 177.289 175.800 -1.238 0.000 1.106 396 F CA 0.344 57.851 58.000 -0.822 0.000 1.329 396 F CB -0.172 38.359 39.000 -0.781 0.000 1.100 396 F HN -0.043 nan 8.300 nan 0.000 0.592 397 S N -0.559 114.326 115.700 -1.360 0.000 2.419 397 S HA -0.085 4.388 4.470 0.004 0.000 0.235 397 S C 0.879 175.044 174.600 -0.725 0.000 1.019 397 S CA 0.723 57.907 58.200 -1.694 0.000 0.982 397 S CB -0.754 61.431 63.200 -1.692 0.000 0.789 397 S HN 0.265 nan 8.310 nan 0.000 0.490 398 S N -0.479 114.935 115.700 -0.477 0.000 2.564 398 S HA 0.616 5.088 4.470 0.004 0.000 0.274 398 S C -2.914 171.612 174.600 -0.123 0.000 1.124 398 S CA -1.490 56.578 58.200 -0.219 0.000 0.869 398 S CB 1.695 64.790 63.200 -0.174 0.000 1.105 398 S HN -0.088 nan 8.310 nan 0.000 0.472 399 P HA -0.046 nan 4.420 nan 0.000 0.218 399 P C 0.837 178.140 177.300 0.005 0.000 1.148 399 P CA 1.246 64.368 63.100 0.038 0.000 0.822 399 P CB 0.060 31.798 31.700 0.062 0.000 0.784 400 E N -0.867 119.316 120.200 -0.029 0.000 2.106 400 E HA -0.096 4.257 4.350 0.004 0.000 0.192 400 E C 2.083 178.650 176.600 -0.055 0.000 0.984 400 E CA 0.966 57.346 56.400 -0.034 0.000 0.806 400 E CB -0.445 29.229 29.700 -0.043 0.000 0.750 400 E HN 0.191 nan 8.360 nan 0.000 0.458 401 R N -0.080 120.356 120.500 -0.107 0.000 2.090 401 R HA 0.062 4.404 4.340 0.004 0.000 0.228 401 R C 2.251 178.485 176.300 -0.109 0.000 1.110 401 R CA 0.812 56.824 56.100 -0.148 0.000 0.973 401 R CB -0.218 29.923 30.300 -0.266 0.000 0.869 401 R HN 0.187 nan 8.270 nan 0.000 0.440 402 I N -0.104 120.409 120.570 -0.096 0.000 2.179 402 I HA -0.208 3.965 4.170 0.004 0.000 0.242 402 I C 2.510 178.670 176.117 0.072 0.000 1.088 402 I CA 1.620 62.911 61.300 -0.015 0.000 1.357 402 I CB -0.615 37.422 38.000 0.062 0.000 1.051 402 I HN 0.302 nan 8.210 nan 0.000 0.409 403 G N -0.372 108.456 108.800 0.048 0.000 2.418 403 G HA2 -0.265 3.698 3.960 0.004 0.000 0.217 403 G HA3 -0.265 3.698 3.960 0.004 0.000 0.217 403 G C 1.602 176.527 174.900 0.042 0.000 1.158 403 G CA 0.300 45.426 45.100 0.045 0.000 0.771 403 G HN 0.278 nan 8.290 nan 0.000 0.545 404 Q N -0.625 119.197 119.800 0.037 0.000 2.084 404 Q HA -0.136 4.206 4.340 0.004 0.000 0.202 404 Q C 2.218 178.282 176.000 0.107 0.000 0.978 404 Q CA 1.326 57.151 55.803 0.037 0.000 0.844 404 Q CB -0.347 28.392 28.738 0.002 0.000 0.898 404 Q HN 0.627 nan 8.270 nan 0.000 0.426 405 W N 0.485 121.740 121.300 -0.074 0.000 2.388 405 W HA -0.134 4.528 4.660 0.004 0.000 0.294 405 W C 2.210 178.796 176.519 0.111 0.000 1.212 405 W CA 0.775 58.106 57.345 -0.023 0.000 1.271 405 W CB -0.742 28.661 29.460 -0.096 0.000 1.126 405 W HN 0.175 nan 8.180 nan 0.000 0.535 406 C N 0.467 119.785 119.300 0.031 0.000 2.440 406 C HA -0.165 4.297 4.460 0.004 0.000 0.278 406 C C 3.017 178.006 174.990 -0.002 0.000 1.295 406 C CA 1.800 60.784 59.018 -0.058 0.000 1.738 406 C CB -1.628 26.093 27.740 -0.031 0.000 1.987 406 C HN 0.501 nan 8.230 nan 0.000 0.492 407 S N 0.307 116.005 115.700 -0.003 0.000 2.515 407 S HA -0.141 4.332 4.470 0.004 0.000 0.231 407 S C 1.506 176.059 174.600 -0.078 0.000 0.987 407 S CA 0.860 59.043 58.200 -0.027 0.000 0.936 407 S CB -0.622 62.565 63.200 -0.022 0.000 0.766 407 S HN 0.744 nan 8.310 nan 0.000 0.528 408 Q N -0.620 119.095 119.800 -0.141 0.000 2.369 408 Q HA 0.109 4.452 4.340 0.004 0.000 0.206 408 Q C 0.796 176.442 176.000 -0.589 0.000 0.963 408 Q CA 1.084 56.661 55.803 -0.377 0.000 0.894 408 Q CB -0.100 28.338 28.738 -0.501 0.000 0.965 408 Q HN 0.731 nan 8.270 nan 0.000 0.475 409 F N -1.054 118.825 119.950 -0.118 0.000 2.532 409 F HA 0.379 4.909 4.527 0.004 0.000 0.278 409 F C 0.755 176.493 175.800 -0.104 0.000 0.975 409 F CA 0.079 58.007 58.000 -0.121 0.000 1.292 409 F CB 0.407 39.294 39.000 -0.189 0.000 1.112 409 F HN -0.110 nan 8.300 nan 0.000 0.703 410 A N 0.000 122.860 122.820 0.067 0.000 2.254 410 A HA 0.000 4.322 4.320 0.004 0.000 0.244 410 A CA 0.000 52.038 52.037 0.002 0.000 0.836 410 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 410 A HN 0.000 nan 8.150 nan 0.000 0.486