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 2xo4_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPIRGGEA FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLXYQN TRDG 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 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.522 175.510 0.021 0.000 1.280 4 N CA 0.000 53.063 53.050 0.021 0.000 0.885 4 N CB 0.000 38.496 38.487 0.016 0.000 1.341 5 L N 1.478 122.714 121.223 0.021 0.000 2.794 5 L HA -0.155 4.185 4.340 0.001 0.000 0.613 5 L C -1.230 175.631 176.870 -0.016 0.000 1.002 5 L CA 0.041 54.889 54.840 0.014 0.000 1.323 5 L CB -0.280 41.797 42.059 0.031 0.000 1.787 5 L HN 0.232 nan 8.230 nan 0.000 0.859 6 L N 4.647 125.858 121.223 -0.020 0.000 2.421 6 L HA 0.751 5.091 4.340 0.001 0.000 0.263 6 L C 0.027 176.848 176.870 -0.082 0.000 1.122 6 L CA -0.519 54.299 54.840 -0.038 0.000 0.804 6 L CB 1.581 43.630 42.059 -0.017 0.000 1.150 6 L HN 0.293 nan 8.230 nan 0.000 0.457 7 V N 0.234 120.093 119.914 -0.092 0.000 2.709 7 V HA 0.360 4.480 4.120 0.001 0.000 0.308 7 V C -0.465 175.568 176.094 -0.101 0.000 1.062 7 V CA -0.609 61.607 62.300 -0.139 0.000 0.901 7 V CB 2.381 34.100 31.823 -0.172 0.000 1.003 7 V HN 0.747 nan 8.190 nan 0.000 0.425 8 T N 4.793 119.281 114.554 -0.110 0.000 2.753 8 T HA 0.304 4.654 4.350 0.001 0.000 0.297 8 T C -0.019 174.636 174.700 -0.076 0.000 0.981 8 T CA -0.457 61.600 62.100 -0.071 0.000 0.956 8 T CB 0.480 69.319 68.868 -0.048 0.000 0.936 8 T HN 0.403 nan 8.240 nan 0.000 0.463 9 K N 2.800 123.167 120.400 -0.055 0.000 2.295 9 K HA 0.176 4.497 4.320 0.001 0.000 0.270 9 K C 1.536 178.118 176.600 -0.030 0.000 1.011 9 K CA -0.490 55.770 56.287 -0.044 0.000 0.953 9 K CB 0.667 33.150 32.500 -0.028 0.000 0.956 9 K HN 0.512 nan 8.250 nan 0.000 0.477 10 R N 1.557 122.043 120.500 -0.022 0.000 2.133 10 R HA -0.269 4.071 4.340 0.001 0.000 0.245 10 R C 1.507 177.804 176.300 -0.005 0.000 1.137 10 R CA 1.718 57.812 56.100 -0.009 0.000 0.947 10 R CB -0.625 29.677 30.300 0.003 0.000 0.865 10 R HN 0.806 nan 8.270 nan 0.000 0.437 11 D N -0.790 119.607 120.400 -0.004 0.000 2.600 11 D HA -0.261 4.379 4.640 0.001 0.000 0.194 11 D C 1.331 177.628 176.300 -0.004 0.000 1.040 11 D CA 3.127 57.125 54.000 -0.003 0.000 0.871 11 D CB -0.217 40.581 40.800 -0.004 0.000 0.973 11 D HN 0.541 nan 8.370 nan 0.000 0.470 12 G N -1.250 107.546 108.800 -0.007 0.000 2.260 12 G HA2 -0.196 3.764 3.960 0.001 0.000 0.179 12 G HA3 -0.196 3.764 3.960 0.001 0.000 0.179 12 G C 0.545 175.441 174.900 -0.007 0.000 1.002 12 G CA 0.912 46.009 45.100 -0.006 0.000 0.677 12 G HN 0.758 nan 8.290 nan 0.000 0.486 13 S N -0.609 115.085 115.700 -0.009 0.000 2.484 13 S HA 0.765 5.235 4.470 0.001 0.000 0.256 13 S C 0.283 174.873 174.600 -0.016 0.000 1.223 13 S CA 0.672 58.866 58.200 -0.010 0.000 1.002 13 S CB 1.676 64.871 63.200 -0.009 0.000 1.043 13 S HN 1.605 nan 8.310 nan 0.000 0.517 14 T N 0.302 114.846 114.554 -0.016 0.000 3.578 14 T HA 0.457 4.807 4.350 0.001 0.000 0.343 14 T C -1.480 173.207 174.700 -0.021 0.000 1.126 14 T CA -0.640 61.447 62.100 -0.022 0.000 1.092 14 T CB 0.943 69.802 68.868 -0.016 0.000 1.160 14 T HN 0.951 nan 8.240 nan 0.000 0.469 15 E N 3.868 124.051 120.200 -0.030 0.000 2.446 15 E HA 0.535 4.885 4.350 0.001 0.000 0.269 15 E C -0.618 175.962 176.600 -0.033 0.000 0.977 15 E CA -0.995 55.390 56.400 -0.025 0.000 0.854 15 E CB 1.150 30.839 29.700 -0.019 0.000 1.545 15 E HN 0.670 nan 8.360 nan 0.000 0.448 16 R N -0.109 120.377 120.500 -0.024 0.000 2.905 16 R HA 0.229 4.569 4.340 0.001 0.000 0.273 16 R C 0.361 176.637 176.300 -0.039 0.000 1.033 16 R CA -0.062 56.024 56.100 -0.023 0.000 1.182 16 R CB 0.170 30.464 30.300 -0.010 0.000 1.097 16 R HN 0.448 nan 8.270 nan 0.000 0.504 17 I N 1.966 122.513 120.570 -0.037 0.000 2.339 17 I HA 0.103 4.274 4.170 0.001 0.000 0.290 17 I C -0.806 175.302 176.117 -0.014 0.000 0.994 17 I CA -0.561 60.705 61.300 -0.056 0.000 1.191 17 I CB 1.269 39.220 38.000 -0.082 0.000 1.343 17 I HN 0.542 nan 8.210 nan 0.000 0.458 18 N N 7.960 126.653 118.700 -0.012 0.000 2.645 18 N HA 0.195 4.935 4.740 0.001 0.000 0.233 18 N C 0.947 176.493 175.510 0.060 0.000 1.058 18 N CA -0.214 52.850 53.050 0.022 0.000 0.942 18 N CB 0.546 39.046 38.487 0.020 0.000 1.210 18 N HN 0.646 nan 8.380 nan 0.000 0.512 19 L N 1.425 122.703 121.223 0.092 0.000 2.191 19 L HA -0.158 4.183 4.340 0.001 0.000 0.212 19 L C 0.994 177.956 176.870 0.153 0.000 1.103 19 L CA 1.175 56.116 54.840 0.169 0.000 0.769 19 L CB -0.041 42.118 42.059 0.166 0.000 0.908 19 L HN 0.352 nan 8.230 nan 0.000 0.438 20 D N -0.617 119.840 120.400 0.096 0.000 2.162 20 D HA -0.140 4.500 4.640 0.001 0.000 0.203 20 D C 2.227 178.593 176.300 0.110 0.000 0.967 20 D CA 0.496 54.550 54.000 0.091 0.000 0.840 20 D CB 0.032 40.860 40.800 0.046 0.000 0.972 20 D HN -0.027 nan 8.370 nan 0.000 0.482 21 K N 0.872 121.319 120.400 0.078 0.000 2.026 21 K HA -0.074 4.246 4.320 0.001 0.000 0.208 21 K C 2.020 178.654 176.600 0.057 0.000 1.048 21 K CA 0.778 57.099 56.287 0.056 0.000 0.929 21 K CB -0.484 32.044 32.500 0.047 0.000 0.713 21 K HN 0.239 nan 8.250 nan 0.000 0.439 22 I N -0.218 120.411 120.570 0.097 0.000 2.127 22 I HA -0.338 3.833 4.170 0.001 0.000 0.241 22 I C 2.505 178.696 176.117 0.123 0.000 1.075 22 I CA 1.786 63.159 61.300 0.121 0.000 1.334 22 I CB -0.430 37.697 38.000 0.212 0.000 1.040 22 I HN 0.323 nan 8.210 nan 0.000 0.405 23 H N 0.951 120.067 119.070 0.078 0.000 2.352 23 H HA -0.169 4.387 4.556 0.001 0.000 0.299 23 H C 2.425 177.773 175.328 0.032 0.000 1.097 23 H CA 1.865 57.944 56.048 0.052 0.000 1.311 23 H CB 0.054 29.841 29.762 0.041 0.000 1.377 23 H HN 0.090 nan 8.280 nan 0.000 0.504 24 R N -0.545 120.026 120.500 0.118 0.000 2.080 24 R HA -0.135 4.206 4.340 0.001 0.000 0.236 24 R C 2.489 178.780 176.300 -0.015 0.000 1.137 24 R CA 1.660 57.792 56.100 0.053 0.000 0.943 24 R CB -0.535 29.792 30.300 0.044 0.000 0.846 24 R HN 0.188 nan 8.270 nan 0.000 0.431 25 V N 1.454 121.316 119.914 -0.088 0.000 2.282 25 V HA -0.286 3.834 4.120 0.001 0.000 0.249 25 V C 2.336 178.435 176.094 0.008 0.000 1.057 25 V CA 1.874 64.066 62.300 -0.180 0.000 1.032 25 V CB -0.456 31.077 31.823 -0.482 0.000 0.645 25 V HN 0.315 nan 8.190 nan 0.000 0.447 26 L N -0.361 120.828 121.223 -0.056 0.000 2.042 26 L HA -0.241 4.099 4.340 0.001 0.000 0.210 26 L C 2.494 179.305 176.870 -0.098 0.000 1.076 26 L CA 1.969 56.767 54.840 -0.071 0.000 0.749 26 L CB -0.688 41.300 42.059 -0.117 0.000 0.893 26 L HN 0.403 nan 8.230 nan 0.000 0.432 27 D N -0.798 119.514 120.400 -0.147 0.000 2.097 27 D HA -0.256 4.385 4.640 0.001 0.000 0.195 27 D C 1.837 178.135 176.300 -0.004 0.000 0.989 27 D CA 1.256 55.188 54.000 -0.114 0.000 0.827 27 D CB -0.092 40.648 40.800 -0.099 0.000 0.966 27 D HN 0.430 nan 8.370 nan 0.000 0.456 28 W N 1.938 123.163 121.300 -0.125 0.000 2.333 28 W HA -0.213 4.447 4.660 0.001 0.000 0.316 28 W C 2.246 178.721 176.519 -0.074 0.000 1.215 28 W CA 2.712 59.999 57.345 -0.096 0.000 1.278 28 W CB -0.665 28.719 29.460 -0.127 0.000 1.154 28 W HN -0.030 nan 8.180 nan 0.000 0.486 29 A N 0.432 123.068 122.820 -0.306 0.000 2.070 29 A HA 0.077 4.397 4.320 0.001 0.000 0.220 29 A C 2.011 179.377 177.584 -0.365 0.000 1.159 29 A CA 2.023 53.712 52.037 -0.580 0.000 0.656 29 A CB -1.274 17.593 19.000 -0.222 0.000 0.800 29 A HN 0.521 nan 8.150 nan 0.000 0.453 30 A N -0.728 121.947 122.820 -0.243 0.000 2.147 30 A HA 0.196 4.516 4.320 0.001 0.000 0.211 30 A C 0.852 178.312 177.584 -0.207 0.000 1.160 30 A CA 0.099 52.018 52.037 -0.196 0.000 0.781 30 A CB -0.226 18.684 19.000 -0.151 0.000 0.842 30 A HN 0.546 nan 8.150 nan 0.000 0.475 31 E N -0.429 119.640 120.200 -0.218 0.000 2.694 31 E HA 0.245 4.595 4.350 0.001 0.000 0.250 31 E C 1.330 177.807 176.600 -0.205 0.000 0.963 31 E CA 0.917 57.210 56.400 -0.178 0.000 0.949 31 E CB -0.056 29.549 29.700 -0.158 0.000 0.911 31 E HN 0.645 nan 8.360 nan 0.000 0.500 32 G N 3.434 112.114 108.800 -0.200 0.000 2.253 32 G HA2 -0.296 3.664 3.960 0.001 0.000 0.251 32 G HA3 -0.296 3.664 3.960 0.001 0.000 0.251 32 G C 0.232 174.856 174.900 -0.460 0.000 0.998 32 G CA 0.204 45.145 45.100 -0.265 0.000 0.621 32 G HN 0.470 nan 8.290 nan 0.000 0.524 33 L N 0.859 121.853 121.223 -0.382 0.000 2.395 33 L HA 0.624 4.965 4.340 0.001 0.000 0.269 33 L C 0.632 177.240 176.870 -0.437 0.000 1.133 33 L CA -0.747 53.861 54.840 -0.388 0.000 0.812 33 L CB 0.718 42.637 42.059 -0.234 0.000 1.125 33 L HN 0.269 nan 8.230 nan 0.000 0.452 34 H N 1.086 120.107 119.070 -0.083 0.000 2.569 34 H HA 0.243 4.800 4.556 0.001 0.000 0.357 34 H C 0.153 175.417 175.328 -0.107 0.000 1.153 34 H CA -0.737 55.266 56.048 -0.076 0.000 1.193 34 H CB 1.179 30.918 29.762 -0.038 0.000 1.602 34 H HN 0.658 nan 8.280 nan 0.000 0.523 35 N N 0.043 118.766 118.700 0.037 0.000 2.776 35 N HA -0.183 4.557 4.740 0.001 0.000 0.250 35 N C -1.299 174.114 175.510 -0.161 0.000 1.112 35 N CA 0.883 53.916 53.050 -0.029 0.000 0.733 35 N CB -0.929 37.560 38.487 0.003 0.000 1.097 35 N HN 0.375 nan 8.380 nan 0.000 0.558 36 V N -2.717 117.047 119.914 -0.251 0.000 2.495 36 V HA 0.795 4.916 4.120 0.001 0.000 0.298 36 V C 0.368 176.376 176.094 -0.143 0.000 1.031 36 V CA -0.499 61.517 62.300 -0.473 0.000 0.871 36 V CB 1.932 33.313 31.823 -0.736 0.000 0.988 36 V HN 0.185 nan 8.190 nan 0.000 0.432 37 S N 3.889 119.616 115.700 0.044 0.000 2.438 37 S HA 0.543 5.014 4.470 0.001 0.000 0.316 37 S C 0.846 175.501 174.600 0.091 0.000 1.084 37 S CA -0.732 57.514 58.200 0.076 0.000 1.107 37 S CB 0.685 63.944 63.200 0.099 0.000 0.981 37 S HN 0.713 nan 8.310 nan 0.000 0.466 38 I N 4.116 124.704 120.570 0.030 0.000 2.226 38 I HA -0.160 4.010 4.170 0.001 0.000 0.245 38 I C 2.617 178.750 176.117 0.027 0.000 1.100 38 I CA 1.499 62.804 61.300 0.009 0.000 1.374 38 I CB -0.359 37.599 38.000 -0.070 0.000 1.057 38 I HN 0.792 nan 8.210 nan 0.000 0.413 39 S N 0.067 115.788 115.700 0.035 0.000 2.402 39 S HA -0.185 4.286 4.470 0.001 0.000 0.229 39 S C 1.959 176.548 174.600 -0.018 0.000 1.021 39 S CA 0.608 58.813 58.200 0.008 0.000 0.974 39 S CB -0.340 62.867 63.200 0.012 0.000 0.800 39 S HN 0.375 nan 8.310 nan 0.000 0.484 40 Q N 1.140 120.946 119.800 0.010 0.000 2.112 40 Q HA -0.053 4.287 4.340 0.001 0.000 0.206 40 Q C 2.529 178.514 176.000 -0.026 0.000 0.987 40 Q CA 1.609 57.409 55.803 -0.004 0.000 0.858 40 Q CB -0.964 27.792 28.738 0.030 0.000 0.905 40 Q HN 0.585 nan 8.270 nan 0.000 0.420 41 V N 1.038 120.956 119.914 0.006 0.000 2.358 41 V HA -0.232 3.889 4.120 0.001 0.000 0.246 41 V C 2.153 178.242 176.094 -0.008 0.000 1.047 41 V CA 1.791 64.091 62.300 0.000 0.000 1.035 41 V CB -0.528 31.326 31.823 0.051 0.000 0.658 41 V HN 0.365 nan 8.190 nan 0.000 0.452 42 E N 0.229 120.405 120.200 -0.040 0.000 2.038 42 E HA -0.217 4.134 4.350 0.001 0.000 0.195 42 E C 2.260 178.724 176.600 -0.227 0.000 1.000 42 E CA 1.562 57.852 56.400 -0.183 0.000 0.803 42 E CB -0.280 29.239 29.700 -0.300 0.000 0.750 42 E HN 0.479 nan 8.360 nan 0.000 0.448 43 L N 0.412 121.538 121.223 -0.162 0.000 1.990 43 L HA -0.245 4.095 4.340 0.001 0.000 0.213 43 L C 2.687 179.494 176.870 -0.104 0.000 1.072 43 L CA 1.442 56.208 54.840 -0.124 0.000 0.755 43 L CB -0.432 41.576 42.059 -0.084 0.000 0.889 43 L HN 0.077 nan 8.230 nan 0.000 0.432 44 R N -0.264 120.181 120.500 -0.091 0.000 2.096 44 R HA -0.135 4.206 4.340 0.001 0.000 0.235 44 R C 2.583 178.810 176.300 -0.122 0.000 1.127 44 R CA 1.736 57.780 56.100 -0.093 0.000 0.968 44 R CB -0.196 30.050 30.300 -0.089 0.000 0.861 44 R HN 0.520 nan 8.270 nan 0.000 0.440 45 S N -0.914 114.706 115.700 -0.134 0.000 2.421 45 S HA -0.029 4.441 4.470 0.001 0.000 0.224 45 S C 1.705 175.827 174.600 -0.796 0.000 1.035 45 S CA 0.344 58.390 58.200 -0.258 0.000 0.953 45 S CB -0.336 62.825 63.200 -0.066 0.000 0.810 45 S HN 0.407 nan 8.310 nan 0.000 0.497 46 H N 0.381 118.937 119.070 -0.857 0.000 2.423 46 H HA 0.124 4.681 4.556 0.001 0.000 0.297 46 H C 1.935 176.901 175.328 -0.604 0.000 1.075 46 H CA 1.210 56.613 56.048 -1.075 0.000 1.342 46 H CB -0.094 29.428 29.762 -0.400 0.000 1.395 46 H HN 0.339 nan 8.280 nan 0.000 0.530 47 I N 1.612 122.048 120.570 -0.224 0.000 2.700 47 I HA -0.224 3.947 4.170 0.001 0.000 0.261 47 I C 1.519 177.586 176.117 -0.084 0.000 1.219 47 I CA 1.349 62.584 61.300 -0.109 0.000 1.463 47 I CB -0.109 37.849 38.000 -0.070 0.000 1.092 47 I HN 0.207 nan 8.210 nan 0.000 0.452 48 Q N -0.912 118.788 119.800 -0.168 0.000 2.319 48 Q HA 0.126 4.466 4.340 0.001 0.000 0.202 48 Q C -0.289 175.831 176.000 0.200 0.000 0.896 48 Q CA -0.204 55.603 55.803 0.006 0.000 0.942 48 Q CB 0.261 29.003 28.738 0.007 0.000 1.083 48 Q HN 0.218 nan 8.270 nan 0.000 0.510 49 F N 1.280 121.234 119.950 0.006 0.000 2.412 49 F HA 0.225 4.752 4.527 0.001 0.000 0.348 49 F C 0.176 175.984 175.800 0.014 0.000 1.102 49 F CA -1.672 56.270 58.000 -0.096 0.000 1.196 49 F CB -0.106 38.788 39.000 -0.177 0.000 1.144 49 F HN -0.025 nan 8.300 nan 0.000 0.541 50 Y N -1.653 118.741 120.300 0.156 0.000 2.598 50 Y HA 0.546 5.097 4.550 0.001 0.000 0.340 50 Y C -0.651 175.268 175.900 0.032 0.000 1.038 50 Y CA -2.071 56.074 58.100 0.074 0.000 1.100 50 Y CB 0.449 38.938 38.460 0.048 0.000 1.281 50 Y HN 0.495 nan 8.280 nan 0.000 0.488 51 D N 0.626 121.149 120.400 0.204 0.000 2.401 51 D HA 0.377 5.017 4.640 0.001 0.000 0.254 51 D C 1.049 177.421 176.300 0.119 0.000 1.192 51 D CA 2.000 56.060 54.000 0.099 0.000 0.885 51 D CB 0.253 41.106 40.800 0.089 0.000 1.147 51 D HN 1.045 nan 8.370 nan 0.000 0.478 52 G N 3.672 112.475 108.800 0.006 0.000 2.176 52 G HA2 -0.290 3.670 3.960 0.001 0.000 0.253 52 G HA3 -0.290 3.670 3.960 0.001 0.000 0.253 52 G C 0.610 175.475 174.900 -0.059 0.000 0.979 52 G CA -0.057 45.046 45.100 0.005 0.000 0.641 52 G HN 0.678 nan 8.290 nan 0.000 0.530 53 I N 1.812 122.186 120.570 -0.326 0.000 2.845 53 I HA 0.207 4.377 4.170 0.001 0.000 0.296 53 I C 1.290 177.200 176.117 -0.346 0.000 1.216 53 I CA 0.171 61.079 61.300 -0.653 0.000 1.438 53 I CB 0.334 37.631 38.000 -1.171 0.000 1.342 53 I HN 0.383 nan 8.210 nan 0.000 0.577 54 K N 5.078 125.340 120.400 -0.229 0.000 2.107 54 K HA 0.200 4.520 4.320 0.001 0.000 0.251 54 K C 0.427 176.883 176.600 -0.240 0.000 1.012 54 K CA -0.556 55.628 56.287 -0.171 0.000 0.920 54 K CB 1.183 33.637 32.500 -0.077 0.000 1.033 54 K HN 0.620 nan 8.250 nan 0.000 0.478 55 T N 0.834 115.257 114.554 -0.219 0.000 2.777 55 T HA -0.166 4.184 4.350 0.001 0.000 0.266 55 T C 1.996 176.456 174.700 -0.399 0.000 1.040 55 T CA 2.055 63.961 62.100 -0.323 0.000 1.141 55 T CB -0.363 68.368 68.868 -0.229 0.000 0.868 55 T HN 0.820 nan 8.240 nan 0.000 0.444 56 S N 2.000 117.602 115.700 -0.163 0.000 2.383 56 S HA -0.192 4.278 4.470 0.001 0.000 0.229 56 S C 1.671 176.228 174.600 -0.072 0.000 1.030 56 S CA 1.290 59.495 58.200 0.008 0.000 1.002 56 S CB -0.533 62.745 63.200 0.130 0.000 0.829 56 S HN 0.374 nan 8.310 nan 0.000 0.467 57 D N 1.602 121.933 120.400 -0.114 0.000 2.178 57 D HA 0.075 4.715 4.640 0.001 0.000 0.202 57 D C 1.920 178.140 176.300 -0.134 0.000 0.974 57 D CA 0.912 54.855 54.000 -0.095 0.000 0.841 57 D CB -0.287 40.466 40.800 -0.078 0.000 0.953 57 D HN 0.469 nan 8.370 nan 0.000 0.478 58 I N 0.456 120.847 120.570 -0.298 0.000 2.226 58 I HA -0.265 3.905 4.170 0.001 0.000 0.245 58 I C 2.184 178.257 176.117 -0.074 0.000 1.100 58 I CA 1.152 62.229 61.300 -0.370 0.000 1.374 58 I CB -0.342 37.259 38.000 -0.665 0.000 1.057 58 I HN 0.110 nan 8.210 nan 0.000 0.413 59 H N 0.448 119.478 119.070 -0.068 0.000 2.321 59 H HA -0.160 4.396 4.556 0.001 0.000 0.300 59 H C 2.135 177.403 175.328 -0.100 0.000 1.087 59 H CA 1.334 57.356 56.048 -0.044 0.000 1.319 59 H CB 0.043 29.799 29.762 -0.010 0.000 1.379 59 H HN 0.381 nan 8.280 nan 0.000 0.501 60 E N -0.037 120.141 120.200 -0.038 0.000 2.150 60 E HA -0.110 4.240 4.350 0.001 0.000 0.193 60 E C 2.055 178.673 176.600 0.030 0.000 0.985 60 E CA 1.350 57.717 56.400 -0.055 0.000 0.814 60 E CB 0.041 29.700 29.700 -0.069 0.000 0.752 60 E HN 0.392 nan 8.360 nan 0.000 0.466 61 T N 2.162 116.764 114.554 0.080 0.000 2.777 61 T HA -0.101 4.250 4.350 0.001 0.000 0.266 61 T C 1.970 176.739 174.700 0.116 0.000 1.040 61 T CA 1.022 63.199 62.100 0.128 0.000 1.141 61 T CB -0.102 68.924 68.868 0.264 0.000 0.868 61 T HN 0.271 nan 8.240 nan 0.000 0.444 62 I N 0.355 121.020 120.570 0.158 0.000 2.406 62 I HA -0.012 4.159 4.170 0.001 0.000 0.249 62 I C 2.049 178.197 176.117 0.052 0.000 1.122 62 I CA 1.405 62.781 61.300 0.127 0.000 1.431 62 I CB -0.966 37.148 38.000 0.189 0.000 1.087 62 I HN 0.224 nan 8.210 nan 0.000 0.424 63 I N 1.939 122.537 120.570 0.047 0.000 2.127 63 I HA -0.324 3.846 4.170 0.001 0.000 0.241 63 I C 2.800 178.864 176.117 -0.088 0.000 1.075 63 I CA 2.047 63.350 61.300 0.004 0.000 1.334 63 I CB -0.468 37.567 38.000 0.058 0.000 1.040 63 I HN 0.242 nan 8.210 nan 0.000 0.405 64 K N 1.036 121.411 120.400 -0.043 0.000 2.147 64 K HA -0.171 4.149 4.320 0.001 0.000 0.205 64 K C 2.108 178.640 176.600 -0.113 0.000 1.049 64 K CA 1.353 57.597 56.287 -0.071 0.000 0.936 64 K CB -0.085 32.411 32.500 -0.007 0.000 0.722 64 K HN 0.325 nan 8.250 nan 0.000 0.446 65 A N 0.959 123.731 122.820 -0.080 0.000 1.873 65 A HA -0.068 4.252 4.320 0.001 0.000 0.215 65 A C 2.345 179.829 177.584 -0.167 0.000 1.186 65 A CA 1.728 53.705 52.037 -0.101 0.000 0.616 65 A CB -0.879 18.087 19.000 -0.056 0.000 0.823 65 A HN 0.455 nan 8.150 nan 0.000 0.442 66 A N -0.047 122.687 122.820 -0.143 0.000 1.902 66 A HA 0.143 4.463 4.320 0.001 0.000 0.217 66 A C 2.521 179.938 177.584 -0.278 0.000 1.181 66 A CA 2.171 54.113 52.037 -0.158 0.000 0.623 66 A CB -1.103 17.891 19.000 -0.011 0.000 0.818 66 A HN 1.104 nan 8.150 nan 0.000 0.443 67 A N 0.142 122.745 122.820 -0.360 0.000 1.917 67 A HA -0.235 4.085 4.320 0.001 0.000 0.219 67 A C 1.686 179.103 177.584 -0.278 0.000 1.182 67 A CA 2.007 53.760 52.037 -0.473 0.000 0.633 67 A CB -0.676 17.892 19.000 -0.719 0.000 0.819 67 A HN 0.460 nan 8.150 nan 0.000 0.448 68 D N -0.474 119.785 120.400 -0.235 0.000 2.310 68 D HA -0.036 4.605 4.640 0.001 0.000 0.212 68 D C 1.412 177.567 176.300 -0.241 0.000 0.965 68 D CA 0.703 54.592 54.000 -0.185 0.000 0.879 68 D CB -0.155 40.558 40.800 -0.145 0.000 0.921 68 D HN 0.465 nan 8.370 nan 0.000 0.510 69 L N 0.330 121.313 121.223 -0.399 0.000 2.592 69 L HA 0.170 4.511 4.340 0.001 0.000 0.227 69 L C 0.625 177.264 176.870 -0.385 0.000 1.127 69 L CA -0.142 54.350 54.840 -0.581 0.000 0.884 69 L CB 0.198 41.492 42.059 -1.276 0.000 1.065 69 L HN -0.143 nan 8.230 nan 0.000 0.457 70 I N 0.514 120.970 120.570 -0.191 0.000 2.587 70 I HA 0.004 4.175 4.170 0.001 0.000 0.284 70 I C 0.621 176.715 176.117 -0.039 0.000 1.134 70 I CA 0.528 61.811 61.300 -0.028 0.000 1.410 70 I CB 0.277 38.259 38.000 -0.030 0.000 1.392 70 I HN 0.206 nan 8.210 nan 0.000 0.545 71 S N 6.019 121.711 115.700 -0.012 0.000 2.643 71 S HA 0.431 4.902 4.470 0.001 0.000 0.270 71 S C 0.681 175.207 174.600 -0.122 0.000 1.166 71 S CA -1.127 57.035 58.200 -0.064 0.000 0.815 71 S CB 1.631 64.801 63.200 -0.050 0.000 1.139 71 S HN 0.674 nan 8.310 nan 0.000 0.472 72 R N 0.795 121.150 120.500 -0.243 0.000 2.148 72 R HA -0.043 4.297 4.340 0.001 0.000 0.227 72 R C 0.420 176.547 176.300 -0.289 0.000 1.103 72 R CA 1.522 57.306 56.100 -0.527 0.000 0.983 72 R CB -1.054 28.681 30.300 -0.941 0.000 0.874 72 R HN 0.695 nan 8.270 nan 0.000 0.451 73 D N 1.779 122.105 120.400 -0.124 0.000 2.117 73 D HA -0.039 4.602 4.640 0.001 0.000 0.198 73 D C 0.375 176.686 176.300 0.019 0.000 0.982 73 D CA 1.510 55.496 54.000 -0.024 0.000 0.828 73 D CB 0.139 40.932 40.800 -0.012 0.000 0.967 73 D HN 0.355 nan 8.370 nan 0.000 0.464 74 A N 1.512 124.360 122.820 0.046 0.000 2.938 74 A HA 0.324 4.644 4.320 0.001 0.000 0.344 74 A C -1.740 175.905 177.584 0.102 0.000 1.142 74 A CA -1.063 51.030 52.037 0.094 0.000 0.841 74 A CB 1.010 20.146 19.000 0.227 0.000 1.083 74 A HN -0.083 nan 8.150 nan 0.000 0.479 75 P HA -0.113 nan 4.420 nan 0.000 0.221 75 P C 0.303 177.647 177.300 0.073 0.000 1.150 75 P CA 1.050 64.182 63.100 0.055 0.000 0.800 75 P CB 0.316 32.067 31.700 0.085 0.000 0.787 76 D N -1.205 119.232 120.400 0.061 0.000 2.351 76 D HA -0.134 4.507 4.640 0.001 0.000 0.216 76 D C 1.642 177.935 176.300 -0.012 0.000 0.968 76 D CA 0.753 54.801 54.000 0.080 0.000 0.899 76 D CB -0.832 39.956 40.800 -0.020 0.000 0.907 76 D HN 0.205 nan 8.370 nan 0.000 0.514 77 Y N 0.939 121.236 120.300 -0.005 0.000 2.333 77 Y HA -0.147 4.403 4.550 0.001 0.000 0.290 77 Y C 2.426 178.266 175.900 -0.101 0.000 1.144 77 Y CA 0.857 58.923 58.100 -0.057 0.000 1.228 77 Y CB -0.344 38.067 38.460 -0.081 0.000 0.985 77 Y HN 0.057 nan 8.280 nan 0.000 0.542 78 Q N -1.291 118.512 119.800 0.004 0.000 2.197 78 Q HA -0.252 4.088 4.340 0.001 0.000 0.207 78 Q C 1.267 177.100 176.000 -0.278 0.000 0.984 78 Q CA 1.914 57.610 55.803 -0.178 0.000 0.869 78 Q CB -0.175 28.340 28.738 -0.372 0.000 0.906 78 Q HN 0.593 nan 8.270 nan 0.000 0.426 79 Y N -1.497 118.834 120.300 0.052 0.000 2.479 79 Y HA -0.048 4.502 4.550 0.001 0.000 0.283 79 Y C 1.675 177.572 175.900 -0.004 0.000 1.109 79 Y CA 0.149 58.267 58.100 0.030 0.000 1.239 79 Y CB -0.102 38.347 38.460 -0.019 0.000 1.108 79 Y HN 0.106 nan 8.280 nan 0.000 0.548 80 L N 0.468 121.744 121.223 0.088 0.000 2.017 80 L HA -0.135 4.205 4.340 0.001 0.000 0.208 80 L C 2.322 179.220 176.870 0.046 0.000 1.073 80 L CA 2.131 56.985 54.840 0.024 0.000 0.745 80 L CB -0.911 41.157 42.059 0.016 0.000 0.894 80 L HN 0.132 nan 8.230 nan 0.000 0.432 81 A N -0.705 122.131 122.820 0.028 0.000 1.898 81 A HA -0.022 4.298 4.320 0.001 0.000 0.216 81 A C 2.432 180.112 177.584 0.160 0.000 1.181 81 A CA 1.585 53.596 52.037 -0.043 0.000 0.620 81 A CB -1.105 17.639 19.000 -0.427 0.000 0.819 81 A HN 0.564 nan 8.150 nan 0.000 0.442 82 A N 0.045 123.014 122.820 0.248 0.000 1.877 82 A HA -0.171 4.149 4.320 0.001 0.000 0.216 82 A C 2.249 180.011 177.584 0.297 0.000 1.186 82 A CA 1.587 53.822 52.037 0.330 0.000 0.620 82 A CB -0.494 18.683 19.000 0.296 0.000 0.822 82 A HN 0.542 nan 8.150 nan 0.000 0.443 83 R N -0.622 120.013 120.500 0.224 0.000 2.083 83 R HA -0.072 4.269 4.340 0.001 0.000 0.237 83 R C 2.130 178.639 176.300 0.348 0.000 1.137 83 R CA 1.519 57.733 56.100 0.189 0.000 0.951 83 R CB -0.612 29.601 30.300 -0.145 0.000 0.851 83 R HN 0.501 nan 8.270 nan 0.000 0.434 84 L N 0.201 121.575 121.223 0.251 0.000 2.012 84 L HA -0.229 4.111 4.340 0.001 0.000 0.210 84 L C 2.666 179.742 176.870 0.343 0.000 1.073 84 L CA 1.478 56.483 54.840 0.274 0.000 0.748 84 L CB -0.548 41.594 42.059 0.138 0.000 0.891 84 L HN 0.294 nan 8.230 nan 0.000 0.431 85 A N -0.376 122.635 122.820 0.319 0.000 1.969 85 A HA -0.157 4.163 4.320 0.001 0.000 0.218 85 A C 2.156 179.942 177.584 0.337 0.000 1.169 85 A CA 1.166 53.401 52.037 0.329 0.000 0.635 85 A CB -0.440 18.754 19.000 0.325 0.000 0.810 85 A HN 0.277 nan 8.150 nan 0.000 0.445 86 I N -1.425 119.365 120.570 0.366 0.000 2.252 86 I HA -0.183 3.987 4.170 0.001 0.000 0.245 86 I C 2.270 178.624 176.117 0.396 0.000 1.102 86 I CA 1.115 62.625 61.300 0.350 0.000 1.385 86 I CB -1.356 36.901 38.000 0.428 0.000 1.064 86 I HN 0.478 nan 8.210 nan 0.000 0.414 87 F N 1.431 121.625 119.950 0.407 0.000 2.095 87 F HA -0.319 4.208 4.527 0.001 0.000 0.298 87 F C 2.886 178.780 175.800 0.156 0.000 1.104 87 F CA 2.297 60.515 58.000 0.364 0.000 1.232 87 F CB -0.447 38.711 39.000 0.263 0.000 0.987 87 F HN 0.218 nan 8.300 nan 0.000 0.475 88 H N -0.066 119.160 119.070 0.261 0.000 2.423 88 H HA -0.091 4.466 4.556 0.001 0.000 0.297 88 H C 1.920 177.259 175.328 0.019 0.000 1.075 88 H CA 2.182 58.279 56.048 0.082 0.000 1.342 88 H CB -0.321 29.511 29.762 0.118 0.000 1.395 88 H HN 0.380 nan 8.280 nan 0.000 0.530 89 L N -0.435 120.745 121.223 -0.072 0.000 2.179 89 L HA -0.056 4.284 4.340 0.001 0.000 0.208 89 L C 2.629 179.327 176.870 -0.287 0.000 1.096 89 L CA 0.477 55.197 54.840 -0.199 0.000 0.779 89 L CB -0.223 41.792 42.059 -0.074 0.000 0.922 89 L HN 0.218 nan 8.230 nan 0.000 0.443 90 R N 0.708 121.072 120.500 -0.227 0.000 2.070 90 R HA -0.152 4.189 4.340 0.001 0.000 0.233 90 R C 2.187 178.307 176.300 -0.300 0.000 1.137 90 R CA 1.368 57.297 56.100 -0.285 0.000 0.945 90 R CB -0.532 29.604 30.300 -0.274 0.000 0.845 90 R HN 0.363 nan 8.270 nan 0.000 0.430 91 K N 0.623 120.857 120.400 -0.277 0.000 2.103 91 K HA -0.171 4.150 4.320 0.001 0.000 0.207 91 K C 2.084 178.560 176.600 -0.206 0.000 1.048 91 K CA 1.252 57.415 56.287 -0.206 0.000 0.930 91 K CB -0.115 32.287 32.500 -0.163 0.000 0.716 91 K HN -0.101 nan 8.250 nan 0.000 0.444 92 K N 0.669 120.884 120.400 -0.308 0.000 2.209 92 K HA -0.098 4.222 4.320 0.001 0.000 0.204 92 K C 1.585 178.022 176.600 -0.271 0.000 1.048 92 K CA 1.341 57.452 56.287 -0.294 0.000 0.940 92 K CB 0.011 32.275 32.500 -0.393 0.000 0.729 92 K HN 0.181 nan 8.250 nan 0.000 0.451 93 A N -1.445 121.136 122.820 -0.398 0.000 1.993 93 A HA 0.110 4.430 4.320 0.001 0.000 0.207 93 A C 0.930 178.310 177.584 -0.341 0.000 1.224 93 A CA 0.461 52.195 52.037 -0.504 0.000 0.749 93 A CB -0.083 18.341 19.000 -0.960 0.000 0.884 93 A HN 0.301 nan 8.150 nan 0.000 0.467 94 Y N -1.397 118.865 120.300 -0.062 0.000 2.527 94 Y HA 0.408 4.958 4.550 0.001 0.000 0.247 94 Y C 1.848 177.715 175.900 -0.056 0.000 1.138 94 Y CA -0.422 57.646 58.100 -0.053 0.000 1.228 94 Y CB 0.040 38.437 38.460 -0.106 0.000 1.252 94 Y HN 0.398 nan 8.280 nan 0.000 0.531 95 G N 0.697 109.519 108.800 0.037 0.000 2.377 95 G HA2 -0.308 3.652 3.960 0.001 0.000 0.250 95 G HA3 -0.308 3.652 3.960 0.001 0.000 0.250 95 G C 0.298 175.197 174.900 -0.001 0.000 1.039 95 G CA 0.808 45.915 45.100 0.013 0.000 0.625 95 G HN 0.482 nan 8.290 nan 0.000 0.526 96 Q N -1.534 118.274 119.800 0.012 0.000 2.528 96 Q HA 0.772 5.112 4.340 0.001 0.000 0.289 96 Q C 0.713 176.684 176.000 -0.049 0.000 1.091 96 Q CA -0.756 55.035 55.803 -0.019 0.000 0.797 96 Q CB 0.859 29.596 28.738 -0.002 0.000 1.466 96 Q HN 0.314 nan 8.270 nan 0.000 0.436 97 F N 0.819 120.608 119.950 -0.268 0.000 2.113 97 F HA 0.039 4.567 4.527 0.001 0.000 0.297 97 F C 0.686 176.368 175.800 -0.197 0.000 1.103 97 F CA 1.118 58.912 58.000 -0.342 0.000 1.248 97 F CB 0.399 39.118 39.000 -0.469 0.000 0.999 97 F HN 0.536 nan 8.300 nan 0.000 0.475 98 E N 2.849 122.959 120.200 -0.150 0.000 2.328 98 E HA 0.097 4.448 4.350 0.001 0.000 0.265 98 E C -2.247 174.137 176.600 -0.359 0.000 1.057 98 E CA -1.790 54.458 56.400 -0.253 0.000 0.916 98 E CB 0.407 30.066 29.700 -0.068 0.000 0.993 98 E HN 0.117 nan 8.360 nan 0.000 0.446 99 P HA 0.104 nan 4.420 nan 0.000 0.272 99 P C -2.318 174.687 177.300 -0.492 0.000 1.223 99 P CA -1.031 61.529 63.100 -0.901 0.000 0.784 99 P CB -0.061 30.820 31.700 -1.365 0.000 0.923 100 P HA 0.083 nan 4.420 nan 0.000 0.272 100 P C -0.571 176.740 177.300 0.018 0.000 1.240 100 P CA -0.221 62.788 63.100 -0.151 0.000 0.791 100 P CB 0.295 31.925 31.700 -0.116 0.000 0.978 101 A N 1.378 124.214 122.820 0.027 0.000 2.540 101 A HA -0.025 4.295 4.320 0.001 0.000 0.239 101 A C 1.439 179.031 177.584 0.015 0.000 1.061 101 A CA -0.322 51.752 52.037 0.063 0.000 0.758 101 A CB -0.619 18.413 19.000 0.052 0.000 0.991 101 A HN 0.650 nan 8.150 nan 0.000 0.502 102 L N 2.947 124.173 121.223 0.004 0.000 2.013 102 L HA -0.223 4.117 4.340 0.001 0.000 0.212 102 L C 2.020 178.756 176.870 -0.224 0.000 1.073 102 L CA 2.729 57.444 54.840 -0.209 0.000 0.753 102 L CB -1.105 40.918 42.059 -0.061 0.000 0.890 102 L HN 0.879 nan 8.230 nan 0.000 0.432 103 Y N 0.459 120.622 120.300 -0.229 0.000 2.145 103 Y HA -0.267 4.284 4.550 0.001 0.000 0.286 103 Y C 2.362 178.079 175.900 -0.304 0.000 1.145 103 Y CA 2.169 60.050 58.100 -0.365 0.000 1.148 103 Y CB -0.433 37.922 38.460 -0.176 0.000 0.981 103 Y HN 0.345 nan 8.280 nan 0.000 0.507 104 D N -1.151 119.156 120.400 -0.155 0.000 2.123 104 D HA -0.242 4.398 4.640 0.001 0.000 0.196 104 D C 1.993 178.151 176.300 -0.237 0.000 0.992 104 D CA 1.964 55.852 54.000 -0.187 0.000 0.833 104 D CB -0.659 40.119 40.800 -0.037 0.000 0.954 104 D HN 0.522 nan 8.370 nan 0.000 0.455 105 H N 1.080 119.973 119.070 -0.296 0.000 2.290 105 H HA -0.109 4.448 4.556 0.001 0.000 0.298 105 H C 2.075 177.214 175.328 -0.314 0.000 1.087 105 H CA 1.792 57.669 56.048 -0.285 0.000 1.291 105 H CB -0.421 29.097 29.762 -0.407 0.000 1.369 105 H HN -0.105 nan 8.280 nan 0.000 0.492 106 V N -0.203 119.428 119.914 -0.472 0.000 2.287 106 V HA -0.274 3.847 4.120 0.001 0.000 0.248 106 V C 2.735 178.553 176.094 -0.460 0.000 1.053 106 V CA 1.647 63.693 62.300 -0.424 0.000 1.027 106 V CB -0.771 30.680 31.823 -0.620 0.000 0.646 106 V HN 0.354 nan 8.190 nan 0.000 0.447 107 V N -0.047 119.501 119.914 -0.609 0.000 2.252 107 V HA -0.361 3.759 4.120 0.001 0.000 0.249 107 V C 2.469 178.355 176.094 -0.345 0.000 1.056 107 V CA 2.570 64.573 62.300 -0.495 0.000 1.022 107 V CB -0.743 30.733 31.823 -0.578 0.000 0.641 107 V HN 0.567 nan 8.190 nan 0.000 0.445 108 K N -0.755 119.440 120.400 -0.342 0.000 2.063 108 K HA -0.208 4.113 4.320 0.001 0.000 0.208 108 K C 2.168 178.554 176.600 -0.357 0.000 1.048 108 K CA 1.724 57.838 56.287 -0.288 0.000 0.928 108 K CB -0.122 32.239 32.500 -0.233 0.000 0.713 108 K HN 0.304 nan 8.250 nan 0.000 0.442 109 M N 0.349 119.647 119.600 -0.503 0.000 2.200 109 M HA -0.091 4.389 4.480 0.001 0.000 0.265 109 M C 2.221 178.296 176.300 -0.375 0.000 1.066 109 M CA 0.858 55.782 55.300 -0.626 0.000 1.127 109 M CB -0.388 31.454 32.600 -1.264 0.000 1.379 109 M HN -0.013 nan 8.290 nan 0.000 0.420 110 V N 0.209 119.978 119.914 -0.242 0.000 2.427 110 V HA -0.221 3.899 4.120 0.001 0.000 0.248 110 V C 2.267 178.280 176.094 -0.135 0.000 1.051 110 V CA 1.674 63.898 62.300 -0.127 0.000 1.048 110 V CB -0.695 31.069 31.823 -0.097 0.000 0.666 110 V HN 0.450 nan 8.190 nan 0.000 0.456 111 E N -0.158 119.941 120.200 -0.169 0.000 2.077 111 E HA -0.211 4.139 4.350 0.001 0.000 0.193 111 E C 2.147 178.658 176.600 -0.148 0.000 0.989 111 E CA 1.457 57.772 56.400 -0.142 0.000 0.800 111 E CB -0.145 29.466 29.700 -0.148 0.000 0.746 111 E HN 0.514 nan 8.360 nan 0.000 0.452 112 M N -1.135 118.340 119.600 -0.209 0.000 2.630 112 M HA 0.062 4.543 4.480 0.001 0.000 0.254 112 M C 1.201 177.386 176.300 -0.192 0.000 1.092 112 M CA 0.863 56.025 55.300 -0.230 0.000 1.087 112 M CB 0.523 32.903 32.600 -0.366 0.000 1.453 112 M HN 0.348 nan 8.290 nan 0.000 0.509 113 G N 0.491 109.199 108.800 -0.153 0.000 2.153 113 G HA2 -0.249 3.712 3.960 0.001 0.000 0.252 113 G HA3 -0.249 3.712 3.960 0.001 0.000 0.252 113 G C 0.981 175.829 174.900 -0.086 0.000 0.994 113 G CA 0.315 45.360 45.100 -0.093 0.000 0.698 113 G HN 0.291 nan 8.290 nan 0.000 0.521 114 K N -1.159 119.142 120.400 -0.164 0.000 2.242 114 K HA 0.214 4.535 4.320 0.001 0.000 0.200 114 K C 0.624 177.245 176.600 0.036 0.000 1.050 114 K CA 0.532 56.737 56.287 -0.136 0.000 0.981 114 K CB 0.060 32.366 32.500 -0.324 0.000 0.795 114 K HN 0.422 nan 8.250 nan 0.000 0.477 115 Y N 1.264 121.503 120.300 -0.101 0.000 2.453 115 Y HA 0.194 4.745 4.550 0.001 0.000 0.326 115 Y C 0.513 176.384 175.900 -0.047 0.000 1.186 115 Y CA -2.259 55.797 58.100 -0.073 0.000 1.200 115 Y CB 0.460 38.836 38.460 -0.139 0.000 1.247 115 Y HN -0.052 nan 8.280 nan 0.000 0.482 116 D N 1.508 121.997 120.400 0.148 0.000 2.351 116 D HA -0.074 4.566 4.640 0.001 0.000 0.251 116 D C 1.013 177.338 176.300 0.043 0.000 1.137 116 D CA 0.180 54.244 54.000 0.106 0.000 0.879 116 D CB 0.690 41.607 40.800 0.195 0.000 1.181 116 D HN 0.747 nan 8.370 nan 0.000 0.448 117 N N 2.914 121.654 118.700 0.068 0.000 2.272 117 N HA -0.294 4.446 4.740 0.001 0.000 0.185 117 N C 1.632 177.197 175.510 0.092 0.000 1.014 117 N CA 1.033 54.118 53.050 0.058 0.000 0.870 117 N CB -0.094 38.428 38.487 0.059 0.000 0.975 117 N HN 0.603 nan 8.380 nan 0.000 0.433 118 H N 0.267 119.408 119.070 0.118 0.000 2.457 118 H HA -0.055 4.502 4.556 0.001 0.000 0.297 118 H C 2.155 177.602 175.328 0.198 0.000 1.092 118 H CA 1.199 57.331 56.048 0.141 0.000 1.309 118 H CB -0.585 29.265 29.762 0.147 0.000 1.382 118 H HN 0.202 nan 8.280 nan 0.000 0.535 119 L N -0.127 120.923 121.223 -0.288 0.000 2.042 119 L HA -0.163 4.177 4.340 0.001 0.000 0.210 119 L C 2.525 179.634 176.870 0.399 0.000 1.076 119 L CA 1.299 56.151 54.840 0.020 0.000 0.749 119 L CB -0.347 41.695 42.059 -0.027 0.000 0.893 119 L HN 0.342 nan 8.230 nan 0.000 0.432 120 L N -0.978 120.412 121.223 0.280 0.000 2.109 120 L HA -0.164 4.176 4.340 0.001 0.000 0.207 120 L C 2.488 179.529 176.870 0.284 0.000 1.086 120 L CA 1.058 56.101 54.840 0.339 0.000 0.760 120 L CB -0.424 41.723 42.059 0.148 0.000 0.910 120 L HN 0.266 nan 8.230 nan 0.000 0.437 121 E N 0.066 120.390 120.200 0.206 0.000 2.072 121 E HA -0.208 4.142 4.350 0.001 0.000 0.191 121 E C 1.492 178.170 176.600 0.130 0.000 0.985 121 E CA 1.293 57.787 56.400 0.157 0.000 0.801 121 E CB -0.011 29.776 29.700 0.145 0.000 0.750 121 E HN 0.453 nan 8.360 nan 0.000 0.452 122 D N -0.964 119.531 120.400 0.159 0.000 2.289 122 D HA -0.009 4.631 4.640 0.001 0.000 0.207 122 D C -0.252 175.883 176.300 -0.275 0.000 0.966 122 D CA 0.902 54.893 54.000 -0.015 0.000 0.868 122 D CB 0.210 41.053 40.800 0.073 0.000 0.943 122 D HN 0.110 nan 8.370 nan 0.000 0.514 123 Y N -0.390 119.895 120.300 -0.026 0.000 2.462 123 Y HA 0.288 4.838 4.550 0.001 0.000 0.346 123 Y C 0.772 176.639 175.900 -0.056 0.000 0.976 123 Y CA -1.237 56.730 58.100 -0.222 0.000 1.044 123 Y CB 1.594 39.581 38.460 -0.789 0.000 1.230 123 Y HN -0.314 nan 8.280 nan 0.000 0.455 124 T N -2.380 112.223 114.554 0.080 0.000 2.849 124 T HA 0.141 4.491 4.350 0.001 0.000 0.284 124 T C 1.127 175.960 174.700 0.222 0.000 1.004 124 T CA -0.359 61.823 62.100 0.137 0.000 1.021 124 T CB 1.322 70.216 68.868 0.043 0.000 1.013 124 T HN 0.895 nan 8.240 nan 0.000 0.527 125 E N 0.442 120.719 120.200 0.128 0.000 2.097 125 E HA -0.272 4.079 4.350 0.001 0.000 0.196 125 E C 1.652 178.208 176.600 -0.074 0.000 1.000 125 E CA 1.731 58.024 56.400 -0.177 0.000 0.804 125 E CB -0.167 29.128 29.700 -0.675 0.000 0.740 125 E HN 0.781 nan 8.360 nan 0.000 0.454 126 E N 0.811 120.975 120.200 -0.060 0.000 2.058 126 E HA -0.205 4.146 4.350 0.001 0.000 0.194 126 E C 1.968 178.544 176.600 -0.040 0.000 0.997 126 E CA 1.772 58.141 56.400 -0.053 0.000 0.801 126 E CB -0.112 29.563 29.700 -0.042 0.000 0.746 126 E HN 0.419 nan 8.360 nan 0.000 0.450 127 E N -0.660 119.522 120.200 -0.031 0.000 2.106 127 E HA -0.140 4.210 4.350 0.001 0.000 0.192 127 E C 1.798 178.318 176.600 -0.132 0.000 0.984 127 E CA 0.738 57.098 56.400 -0.066 0.000 0.806 127 E CB -0.196 29.503 29.700 -0.002 0.000 0.750 127 E HN 0.197 nan 8.360 nan 0.000 0.458 128 F N 1.667 121.612 119.950 -0.009 0.000 2.126 128 F HA -0.193 4.335 4.527 0.001 0.000 0.299 128 F C 2.228 177.972 175.800 -0.094 0.000 1.096 128 F CA 1.107 59.084 58.000 -0.039 0.000 1.255 128 F CB -0.201 38.872 39.000 0.122 0.000 0.997 128 F HN -0.134 nan 8.300 nan 0.000 0.479 129 K N 0.011 120.457 120.400 0.077 0.000 2.063 129 K HA -0.238 4.083 4.320 0.001 0.000 0.208 129 K C 2.121 178.639 176.600 -0.137 0.000 1.048 129 K CA 1.453 57.724 56.287 -0.028 0.000 0.928 129 K CB -0.580 31.887 32.500 -0.055 0.000 0.713 129 K HN 0.407 nan 8.250 nan 0.000 0.442 130 Q N 0.160 119.837 119.800 -0.205 0.000 2.083 130 Q HA 0.000 4.341 4.340 0.001 0.000 0.198 130 Q C 2.198 177.696 176.000 -0.837 0.000 0.969 130 Q CA 0.824 56.388 55.803 -0.399 0.000 0.838 130 Q CB 0.113 28.674 28.738 -0.294 0.000 0.900 130 Q HN 0.269 nan 8.270 nan 0.000 0.436 131 M N 0.419 119.639 119.600 -0.634 0.000 2.149 131 M HA -0.209 4.271 4.480 0.001 0.000 0.261 131 M C 1.563 177.597 176.300 -0.443 0.000 1.064 131 M CA 1.355 56.286 55.300 -0.614 0.000 1.102 131 M CB -0.229 32.248 32.600 -0.204 0.000 1.369 131 M HN 0.127 nan 8.290 nan 0.000 0.408 132 D N -0.084 120.162 120.400 -0.257 0.000 2.218 132 D HA -0.134 4.506 4.640 0.001 0.000 0.204 132 D C 1.936 178.144 176.300 -0.154 0.000 0.976 132 D CA 1.804 55.731 54.000 -0.121 0.000 0.853 132 D CB 0.003 40.787 40.800 -0.028 0.000 0.939 132 D HN 0.437 nan 8.370 nan 0.000 0.481 133 T N -2.600 111.796 114.554 -0.263 0.000 3.055 133 T HA -0.062 4.288 4.350 0.001 0.000 0.265 133 T C 1.764 176.440 174.700 -0.040 0.000 1.111 133 T CA 0.287 62.290 62.100 -0.161 0.000 1.118 133 T CB -0.488 68.280 68.868 -0.167 0.000 0.909 133 T HN -0.060 nan 8.240 nan 0.000 0.501 134 F N 1.748 121.635 119.950 -0.105 0.000 2.206 134 F HA 0.414 4.942 4.527 0.001 0.000 0.298 134 F C 1.322 177.007 175.800 -0.192 0.000 1.090 134 F CA -1.490 56.431 58.000 -0.132 0.000 1.323 134 F CB -0.901 37.983 39.000 -0.194 0.000 1.028 134 F HN 0.176 nan 8.300 nan 0.000 0.492 135 I N 1.469 121.946 120.570 -0.156 0.000 2.710 135 I HA -0.082 4.088 4.170 0.001 0.000 0.286 135 I C -0.059 176.012 176.117 -0.077 0.000 1.181 135 I CA 0.457 61.599 61.300 -0.264 0.000 1.430 135 I CB 0.131 37.920 38.000 -0.352 0.000 1.367 135 I HN -0.069 nan 8.210 nan 0.000 0.577 136 D N 5.349 125.787 120.400 0.063 0.000 2.446 136 D HA 0.177 4.818 4.640 0.001 0.000 0.251 136 D C 0.892 177.205 176.300 0.021 0.000 1.137 136 D CA -0.360 53.659 54.000 0.033 0.000 0.890 136 D CB 0.549 41.397 40.800 0.081 0.000 1.071 136 D HN 0.373 nan 8.370 nan 0.000 0.528 137 H N 1.794 120.910 119.070 0.076 0.000 2.489 137 H HA -0.067 4.490 4.556 0.001 0.000 0.293 137 H C 0.567 175.952 175.328 0.095 0.000 1.066 137 H CA 0.812 56.880 56.048 0.034 0.000 1.305 137 H CB 0.399 30.107 29.762 -0.089 0.000 1.386 137 H HN 0.466 nan 8.280 nan 0.000 0.551 138 D N 0.427 120.956 120.400 0.214 0.000 2.310 138 D HA -0.073 4.567 4.640 0.001 0.000 0.212 138 D C 1.929 178.311 176.300 0.137 0.000 0.965 138 D CA 0.393 54.517 54.000 0.206 0.000 0.879 138 D CB -0.054 40.846 40.800 0.166 0.000 0.921 138 D HN 0.367 nan 8.370 nan 0.000 0.510 139 R N 0.411 120.962 120.500 0.085 0.000 2.280 139 R HA -0.043 4.298 4.340 0.001 0.000 0.207 139 R C 0.782 177.076 176.300 -0.011 0.000 1.043 139 R CA 0.454 56.535 56.100 -0.033 0.000 1.006 139 R CB 0.041 30.256 30.300 -0.140 0.000 0.885 139 R HN 0.127 nan 8.270 nan 0.000 0.467 140 D N 0.694 121.228 120.400 0.223 0.000 2.309 140 D HA -0.119 4.522 4.640 0.001 0.000 0.212 140 D C 1.201 177.751 176.300 0.416 0.000 0.968 140 D CA 1.091 55.370 54.000 0.465 0.000 0.882 140 D CB 0.104 41.174 40.800 0.451 0.000 0.918 140 D HN 0.045 nan 8.370 nan 0.000 0.503 141 M N -0.375 119.368 119.600 0.238 0.000 2.618 141 M HA 0.006 4.486 4.480 0.001 0.000 0.240 141 M C 1.572 177.937 176.300 0.107 0.000 1.123 141 M CA 0.598 56.005 55.300 0.177 0.000 1.060 141 M CB -0.180 32.477 32.600 0.094 0.000 1.535 141 M HN -0.017 nan 8.290 nan 0.000 0.507 142 T N -3.342 111.239 114.554 0.045 0.000 3.044 142 T HA 0.195 4.545 4.350 0.001 0.000 0.250 142 T C 0.433 175.266 174.700 0.221 0.000 1.081 142 T CA -0.272 61.852 62.100 0.040 0.000 1.040 142 T CB -0.352 68.509 68.868 -0.011 0.000 0.962 142 T HN 0.010 nan 8.240 nan 0.000 0.506 143 F N 4.109 124.295 119.950 0.394 0.000 2.529 143 F HA 0.405 4.932 4.527 0.001 0.000 0.365 143 F C 1.447 177.413 175.800 0.277 0.000 1.102 143 F CA -0.890 57.284 58.000 0.290 0.000 1.271 143 F CB 0.382 39.517 39.000 0.225 0.000 1.120 143 F HN 0.177 nan 8.300 nan 0.000 0.579 144 S N 2.909 118.773 115.700 0.272 0.000 2.645 144 S HA 0.098 4.569 4.470 0.001 0.000 0.266 144 S C 0.841 175.458 174.600 0.029 0.000 1.258 144 S CA -0.573 57.557 58.200 -0.116 0.000 0.990 144 S CB 0.406 63.445 63.200 -0.270 0.000 0.967 144 S HN 0.649 nan 8.310 nan 0.000 0.556 145 Y N 1.492 121.708 120.300 -0.140 0.000 2.145 145 Y HA -0.056 4.494 4.550 0.001 0.000 0.286 145 Y C 2.590 178.457 175.900 -0.056 0.000 1.145 145 Y CA 1.907 59.971 58.100 -0.060 0.000 1.148 145 Y CB -1.211 37.212 38.460 -0.061 0.000 0.981 145 Y HN 0.822 nan 8.280 nan 0.000 0.507 146 A N 0.635 123.354 122.820 -0.169 0.000 1.917 146 A HA -0.198 4.123 4.320 0.001 0.000 0.219 146 A C 2.486 179.932 177.584 -0.231 0.000 1.182 146 A CA 2.310 54.210 52.037 -0.227 0.000 0.633 146 A CB -1.617 17.319 19.000 -0.107 0.000 0.819 146 A HN 0.639 nan 8.150 nan 0.000 0.448 147 A N -0.527 122.200 122.820 -0.154 0.000 1.873 147 A HA -0.103 4.218 4.320 0.001 0.000 0.218 147 A C 2.261 179.690 177.584 -0.259 0.000 1.193 147 A CA 2.155 54.104 52.037 -0.148 0.000 0.629 147 A CB -1.203 17.815 19.000 0.029 0.000 0.826 147 A HN 0.501 nan 8.150 nan 0.000 0.447 148 V N -0.119 119.656 119.914 -0.232 0.000 2.287 148 V HA -0.286 3.834 4.120 0.001 0.000 0.248 148 V C 2.556 178.483 176.094 -0.278 0.000 1.053 148 V CA 2.554 64.697 62.300 -0.263 0.000 1.027 148 V CB -0.710 31.051 31.823 -0.104 0.000 0.646 148 V HN 0.534 nan 8.190 nan 0.000 0.447 149 K N -0.291 119.893 120.400 -0.360 0.000 2.063 149 K HA -0.184 4.137 4.320 0.001 0.000 0.208 149 K C 2.309 178.773 176.600 -0.228 0.000 1.048 149 K CA 1.371 57.469 56.287 -0.315 0.000 0.928 149 K CB -0.334 31.910 32.500 -0.427 0.000 0.713 149 K HN 0.395 nan 8.250 nan 0.000 0.442 150 Q N 0.022 119.670 119.800 -0.254 0.000 2.084 150 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 150 Q C 2.215 178.038 176.000 -0.294 0.000 0.978 150 Q CA 1.346 56.993 55.803 -0.260 0.000 0.844 150 Q CB -0.239 28.308 28.738 -0.319 0.000 0.898 150 Q HN 0.341 nan 8.270 nan 0.000 0.426 151 L N 0.588 121.607 121.223 -0.340 0.000 2.046 151 L HA -0.188 4.152 4.340 0.001 0.000 0.208 151 L C 2.512 179.324 176.870 -0.096 0.000 1.077 151 L CA 1.331 56.023 54.840 -0.247 0.000 0.747 151 L CB -0.450 41.416 42.059 -0.322 0.000 0.896 151 L HN 0.278 nan 8.230 nan 0.000 0.432 152 E N 0.132 120.259 120.200 -0.121 0.000 2.110 152 E HA -0.187 4.164 4.350 0.001 0.000 0.193 152 E C 2.109 178.688 176.600 -0.036 0.000 0.988 152 E CA 1.256 57.614 56.400 -0.070 0.000 0.804 152 E CB -0.062 29.594 29.700 -0.074 0.000 0.745 152 E HN 0.485 nan 8.360 nan 0.000 0.458 153 G N -0.098 108.677 108.800 -0.042 0.000 2.545 153 G HA2 -0.060 3.900 3.960 0.001 0.000 0.212 153 G HA3 -0.060 3.900 3.960 0.001 0.000 0.212 153 G C 1.481 176.405 174.900 0.040 0.000 1.144 153 G CA 0.040 45.134 45.100 -0.009 0.000 0.813 153 G HN 0.021 nan 8.290 nan 0.000 0.531 154 K N -1.094 119.352 120.400 0.078 0.000 2.399 154 K HA 0.258 4.579 4.320 0.001 0.000 0.196 154 K C 1.290 178.108 176.600 0.363 0.000 1.117 154 K CA 0.072 56.480 56.287 0.201 0.000 0.965 154 K CB 0.425 33.063 32.500 0.230 0.000 0.983 154 K HN 0.272 nan 8.250 nan 0.000 0.531 155 Y N 1.148 121.448 120.300 -0.000 0.000 2.472 155 Y HA 0.271 4.821 4.550 0.001 0.000 0.288 155 Y C 1.071 176.987 175.900 0.025 0.000 1.154 155 Y CA -0.526 57.579 58.100 0.009 0.000 1.238 155 Y CB -0.048 38.394 38.460 -0.029 0.000 1.287 155 Y HN -0.216 nan 8.280 nan 0.000 0.524 156 L N 1.066 122.390 121.223 0.170 0.000 2.416 156 L HA 0.162 4.502 4.340 0.001 0.000 0.272 156 L C -0.105 176.840 176.870 0.125 0.000 1.161 156 L CA -0.519 54.395 54.840 0.123 0.000 0.845 156 L CB 0.513 42.608 42.059 0.060 0.000 1.119 156 L HN -0.246 nan 8.230 nan 0.000 0.464 157 V N 3.916 123.939 119.914 0.181 0.000 2.599 157 V HA 0.063 4.183 4.120 0.001 0.000 0.300 157 V C 0.358 176.553 176.094 0.168 0.000 1.034 157 V CA 0.190 62.614 62.300 0.206 0.000 1.115 157 V CB 0.475 32.468 31.823 0.284 0.000 0.934 157 V HN 0.955 nan 8.190 nan 0.000 0.485 158 Q N 3.816 123.690 119.800 0.123 0.000 2.685 158 Q HA 0.402 4.742 4.340 0.001 0.000 0.301 158 Q C -1.246 174.746 176.000 -0.013 0.000 0.924 158 Q CA -1.024 54.724 55.803 -0.092 0.000 0.755 158 Q CB 1.759 30.433 28.738 -0.108 0.000 1.470 158 Q HN 0.502 nan 8.270 nan 0.000 0.434 159 N N 0.360 118.965 118.700 -0.158 0.000 2.426 159 N HA 0.176 4.917 4.740 0.001 0.000 0.275 159 N C 0.485 175.984 175.510 -0.019 0.000 1.019 159 N CA -0.107 52.938 53.050 -0.008 0.000 0.941 159 N CB 1.074 39.556 38.487 -0.010 0.000 1.123 159 N HN 0.555 nan 8.380 nan 0.000 0.486 160 R N 2.402 122.912 120.500 0.017 0.000 2.080 160 R HA -0.083 4.258 4.340 0.001 0.000 0.236 160 R C 1.688 177.990 176.300 0.003 0.000 1.137 160 R CA 1.169 57.275 56.100 0.011 0.000 0.943 160 R CB -0.918 29.395 30.300 0.021 0.000 0.846 160 R HN 0.422 nan 8.270 nan 0.000 0.431 161 V N 0.948 120.867 119.914 0.009 0.000 2.237 161 V HA -0.206 3.915 4.120 0.001 0.000 0.245 161 V C 2.498 178.591 176.094 -0.002 0.000 1.046 161 V CA 2.443 64.748 62.300 0.007 0.000 1.007 161 V CB -0.953 30.878 31.823 0.013 0.000 0.638 161 V HN 0.535 nan 8.190 nan 0.000 0.445 162 T N -2.756 111.793 114.554 -0.008 0.000 3.065 162 T HA 0.280 4.630 4.350 0.001 0.000 0.252 162 T C 1.579 176.253 174.700 -0.044 0.000 1.099 162 T CA 0.902 62.990 62.100 -0.019 0.000 1.063 162 T CB 0.502 69.363 68.868 -0.011 0.000 0.948 162 T HN 1.054 nan 8.240 nan 0.000 0.506 163 G N 1.343 110.107 108.800 -0.060 0.000 2.155 163 G HA2 -0.293 3.667 3.960 0.001 0.000 0.257 163 G HA3 -0.293 3.667 3.960 0.001 0.000 0.257 163 G C -0.178 174.633 174.900 -0.148 0.000 0.983 163 G CA 0.342 45.394 45.100 -0.079 0.000 0.676 163 G HN 0.788 nan 8.290 nan 0.000 0.528 164 E N -0.119 119.946 120.200 -0.226 0.000 2.324 164 E HA 0.434 4.785 4.350 0.001 0.000 0.271 164 E C 0.305 176.525 176.600 -0.633 0.000 1.028 164 E CA -0.540 55.635 56.400 -0.376 0.000 0.890 164 E CB 0.248 29.727 29.700 -0.369 0.000 1.004 164 E HN 0.367 nan 8.360 nan 0.000 0.431 165 I N 5.053 125.335 120.570 -0.479 0.000 2.353 165 I HA 0.034 4.204 4.170 0.001 0.000 0.293 165 I C -0.224 175.653 176.117 -0.399 0.000 0.992 165 I CA -0.273 60.777 61.300 -0.415 0.000 1.268 165 I CB 0.703 38.559 38.000 -0.239 0.000 1.387 165 I HN 0.679 nan 8.210 nan 0.000 0.478 166 Y N 3.833 124.095 120.300 -0.064 0.000 2.444 166 Y HA 0.201 4.751 4.550 0.001 0.000 0.249 166 Y C 0.657 176.611 175.900 0.089 0.000 1.134 166 Y CA -0.495 57.588 58.100 -0.029 0.000 1.261 166 Y CB 0.139 38.577 38.460 -0.037 0.000 1.143 166 Y HN 0.549 nan 8.280 nan 0.000 0.523 167 E N -0.924 119.383 120.200 0.180 0.000 2.458 167 E HA 0.633 4.983 4.350 0.001 0.000 0.278 167 E C -0.982 175.680 176.600 0.103 0.000 1.004 167 E CA -1.021 55.568 56.400 0.314 0.000 0.823 167 E CB 1.881 31.903 29.700 0.536 0.000 1.396 167 E HN -0.075 nan 8.360 nan 0.000 0.463 168 S N -0.347 115.471 115.700 0.196 0.000 2.689 168 S HA 0.679 5.150 4.470 0.001 0.000 0.306 168 S C 0.932 175.599 174.600 0.112 0.000 1.104 168 S CA -0.325 57.912 58.200 0.062 0.000 0.973 168 S CB 1.401 64.602 63.200 0.003 0.000 1.121 168 S HN 0.817 nan 8.310 nan 0.000 0.523 169 A N 0.609 123.486 122.820 0.095 0.000 1.933 169 A HA -0.093 4.227 4.320 0.001 0.000 0.218 169 A C 2.136 179.837 177.584 0.195 0.000 1.175 169 A CA 1.326 53.418 52.037 0.092 0.000 0.628 169 A CB -0.903 18.192 19.000 0.159 0.000 0.814 169 A HN 0.742 nan 8.150 nan 0.000 0.444 170 Q N -1.164 118.830 119.800 0.324 0.000 2.172 170 Q HA -0.058 4.283 4.340 0.001 0.000 0.200 170 Q C 1.730 178.001 176.000 0.453 0.000 0.964 170 Q CA 0.900 56.973 55.803 0.449 0.000 0.855 170 Q CB -0.518 28.401 28.738 0.300 0.000 0.918 170 Q HN 0.690 nan 8.270 nan 0.000 0.444 171 F N 0.764 120.884 119.950 0.284 0.000 2.234 171 F HA -0.085 4.443 4.527 0.001 0.000 0.299 171 F C 2.213 178.146 175.800 0.221 0.000 1.087 171 F CA 0.107 58.250 58.000 0.238 0.000 1.340 171 F CB -1.053 38.092 39.000 0.241 0.000 1.031 171 F HN 0.066 nan 8.300 nan 0.000 0.500 172 L N -1.203 120.239 121.223 0.366 0.000 1.994 172 L HA -0.289 4.051 4.340 0.001 0.000 0.208 172 L C 2.467 179.470 176.870 0.222 0.000 1.071 172 L CA 1.659 56.615 54.840 0.194 0.000 0.745 172 L CB -0.624 41.450 42.059 0.025 0.000 0.892 172 L HN -0.006 nan 8.230 nan 0.000 0.431 173 Y N -0.324 120.185 120.300 0.349 0.000 2.114 173 Y HA -0.288 4.262 4.550 0.001 0.000 0.284 173 Y C 2.386 178.546 175.900 0.433 0.000 1.143 173 Y CA 1.708 60.032 58.100 0.374 0.000 1.135 173 Y CB -0.693 37.992 38.460 0.376 0.000 0.980 173 Y HN 0.208 nan 8.280 nan 0.000 0.499 174 I N -0.297 120.625 120.570 0.588 0.000 2.264 174 I HA -0.274 3.897 4.170 0.001 0.000 0.248 174 I C 1.977 178.216 176.117 0.202 0.000 1.111 174 I CA 1.545 63.032 61.300 0.312 0.000 1.382 174 I CB -0.444 37.588 38.000 0.052 0.000 1.060 174 I HN 0.145 nan 8.210 nan 0.000 0.418 175 L N -1.468 119.851 121.223 0.160 0.000 2.240 175 L HA -0.080 4.260 4.340 0.001 0.000 0.211 175 L C 2.396 179.279 176.870 0.021 0.000 1.106 175 L CA 0.297 55.144 54.840 0.012 0.000 0.793 175 L CB -0.484 41.492 42.059 -0.138 0.000 0.927 175 L HN 0.036 nan 8.230 nan 0.000 0.446 176 V N 0.347 120.328 119.914 0.112 0.000 2.343 176 V HA -0.299 3.821 4.120 0.001 0.000 0.247 176 V C 2.778 178.912 176.094 0.067 0.000 1.051 176 V CA 1.896 64.249 62.300 0.088 0.000 1.036 176 V CB -0.812 31.127 31.823 0.193 0.000 0.654 176 V HN 0.477 nan 8.190 nan 0.000 0.451 177 A N 0.054 123.022 122.820 0.247 0.000 1.877 177 A HA -0.127 4.194 4.320 0.001 0.000 0.216 177 A C 2.452 180.134 177.584 0.162 0.000 1.186 177 A CA 2.143 54.342 52.037 0.271 0.000 0.620 177 A CB -0.916 18.393 19.000 0.516 0.000 0.822 177 A HN 0.573 nan 8.150 nan 0.000 0.443 178 A N -1.007 121.861 122.820 0.081 0.000 1.908 178 A HA -0.202 4.118 4.320 0.001 0.000 0.218 178 A C 2.323 179.975 177.584 0.112 0.000 1.181 178 A CA 1.833 53.866 52.037 -0.007 0.000 0.627 178 A CB -1.282 17.518 19.000 -0.333 0.000 0.818 178 A HN 0.616 nan 8.150 nan 0.000 0.445 179 C N -0.897 118.406 119.300 0.005 0.000 2.453 179 C HA 0.009 4.470 4.460 0.001 0.000 0.277 179 C C 2.628 177.443 174.990 -0.291 0.000 1.262 179 C CA 0.922 59.918 59.018 -0.036 0.000 1.718 179 C CB -1.432 26.245 27.740 -0.105 0.000 2.031 179 C HN 0.627 nan 8.230 nan 0.000 0.480 180 L N -0.838 120.126 121.223 -0.431 0.000 2.141 180 L HA -0.073 4.267 4.340 0.001 0.000 0.209 180 L C 1.524 177.960 176.870 -0.724 0.000 1.094 180 L CA 1.567 55.980 54.840 -0.710 0.000 0.763 180 L CB -0.478 41.019 42.059 -0.937 0.000 0.908 180 L HN 0.303 nan 8.230 nan 0.000 0.437 181 F N -0.819 118.957 119.950 -0.290 0.000 2.639 181 F HA 0.049 4.576 4.527 0.001 0.000 0.300 181 F C 2.296 178.078 175.800 -0.030 0.000 1.109 181 F CA 0.091 57.911 58.000 -0.301 0.000 1.335 181 F CB -0.124 38.624 39.000 -0.421 0.000 1.014 181 F HN 0.035 nan 8.300 nan 0.000 0.537 182 S N -0.468 115.313 115.700 0.134 0.000 2.402 182 S HA -0.183 4.287 4.470 0.001 0.000 0.229 182 S C 1.256 175.881 174.600 0.041 0.000 1.021 182 S CA 1.183 59.457 58.200 0.124 0.000 0.974 182 S CB -0.632 62.687 63.200 0.197 0.000 0.800 182 S HN 0.505 nan 8.310 nan 0.000 0.484 183 N N 0.018 118.771 118.700 0.088 0.000 2.362 183 N HA 0.207 4.947 4.740 0.001 0.000 0.204 183 N C -0.925 174.640 175.510 0.091 0.000 1.166 183 N CA -0.186 52.897 53.050 0.055 0.000 0.831 183 N CB 0.050 38.545 38.487 0.014 0.000 1.008 183 N HN 0.341 nan 8.380 nan 0.000 0.472 184 Y N 1.742 122.029 120.300 -0.020 0.000 2.301 184 Y HA 0.228 4.778 4.550 0.001 0.000 0.325 184 Y C -1.773 174.126 175.900 -0.001 0.000 1.203 184 Y CA -2.563 55.537 58.100 0.000 0.000 1.255 184 Y CB 0.431 38.922 38.460 0.051 0.000 1.232 184 Y HN 0.038 nan 8.280 nan 0.000 0.501 185 P HA 0.075 nan 4.420 nan 0.000 0.269 185 P C 0.131 177.478 177.300 0.078 0.000 1.209 185 P CA -0.009 63.112 63.100 0.036 0.000 0.776 185 P CB 0.781 32.484 31.700 0.005 0.000 0.876 186 R N 1.542 122.063 120.500 0.035 0.000 2.249 186 R HA -0.122 4.218 4.340 0.001 0.000 0.230 186 R C 1.811 178.141 176.300 0.050 0.000 1.121 186 R CA 1.060 57.181 56.100 0.035 0.000 0.997 186 R CB -0.036 30.266 30.300 0.003 0.000 0.867 186 R HN 0.604 nan 8.270 nan 0.000 0.465 187 E N -0.122 120.108 120.200 0.050 0.000 2.204 187 E HA -0.125 4.225 4.350 0.001 0.000 0.194 187 E C 1.494 178.131 176.600 0.061 0.000 0.989 187 E CA 1.696 58.123 56.400 0.044 0.000 0.824 187 E CB -0.174 29.544 29.700 0.030 0.000 0.756 187 E HN 0.392 nan 8.360 nan 0.000 0.477 188 T N -2.450 112.178 114.554 0.123 0.000 2.975 188 T HA 0.233 4.584 4.350 0.001 0.000 0.257 188 T C 1.812 176.648 174.700 0.226 0.000 1.003 188 T CA 0.006 62.203 62.100 0.162 0.000 0.932 188 T CB 0.404 69.466 68.868 0.323 0.000 1.087 188 T HN 0.016 nan 8.240 nan 0.000 0.512 189 R N 1.314 121.950 120.500 0.227 0.000 2.103 189 R HA 0.056 4.397 4.340 0.001 0.000 0.234 189 R C 2.130 178.518 176.300 0.148 0.000 1.132 189 R CA 1.802 58.035 56.100 0.221 0.000 0.925 189 R CB -0.710 29.698 30.300 0.180 0.000 0.842 189 R HN 0.394 nan 8.270 nan 0.000 0.430 190 L N 0.322 121.633 121.223 0.148 0.000 2.291 190 L HA -0.105 4.236 4.340 0.001 0.000 0.214 190 L C 2.679 179.551 176.870 0.004 0.000 1.120 190 L CA 1.020 55.968 54.840 0.181 0.000 0.799 190 L CB -0.455 41.779 42.059 0.292 0.000 0.925 190 L HN 0.476 nan 8.230 nan 0.000 0.446 191 Q N -0.235 119.519 119.800 -0.077 0.000 2.050 191 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 191 Q C 2.165 177.938 176.000 -0.378 0.000 0.980 191 Q CA 1.927 57.579 55.803 -0.252 0.000 0.840 191 Q CB -0.119 28.461 28.738 -0.262 0.000 0.898 191 Q HN 0.392 nan 8.270 nan 0.000 0.424 192 Y N -0.641 119.432 120.300 -0.379 0.000 2.163 192 Y HA -0.190 4.361 4.550 0.001 0.000 0.288 192 Y C 2.283 177.763 175.900 -0.700 0.000 1.136 192 Y CA 1.121 58.797 58.100 -0.705 0.000 1.147 192 Y CB -0.365 37.372 38.460 -1.206 0.000 0.987 192 Y HN -0.030 nan 8.280 nan 0.000 0.509 193 V N 0.583 120.327 119.914 -0.283 0.000 2.282 193 V HA -0.378 3.743 4.120 0.001 0.000 0.249 193 V C 2.398 178.469 176.094 -0.038 0.000 1.057 193 V CA 2.393 64.665 62.300 -0.046 0.000 1.032 193 V CB -0.614 31.274 31.823 0.108 0.000 0.645 193 V HN 0.366 nan 8.190 nan 0.000 0.447 194 K N -0.062 120.141 120.400 -0.330 0.000 2.025 194 K HA -0.167 4.153 4.320 0.001 0.000 0.207 194 K C 2.400 178.867 176.600 -0.223 0.000 1.049 194 K CA 1.385 57.337 56.287 -0.558 0.000 0.933 194 K CB -0.156 31.506 32.500 -1.397 0.000 0.714 194 K HN 0.345 nan 8.250 nan 0.000 0.438 195 R N -0.476 119.877 120.500 -0.245 0.000 2.096 195 R HA -0.135 4.206 4.340 0.001 0.000 0.235 195 R C 2.335 178.596 176.300 -0.065 0.000 1.127 195 R CA 1.522 57.519 56.100 -0.173 0.000 0.968 195 R CB -0.422 29.750 30.300 -0.214 0.000 0.861 195 R HN 0.266 nan 8.270 nan 0.000 0.440 196 F N 0.633 120.511 119.950 -0.121 0.000 2.128 196 F HA -0.233 4.294 4.527 0.001 0.000 0.295 196 F C 2.344 178.149 175.800 0.008 0.000 1.100 196 F CA 1.204 59.204 58.000 0.000 0.000 1.260 196 F CB -0.499 38.601 39.000 0.166 0.000 1.009 196 F HN -0.041 nan 8.300 nan 0.000 0.476 197 Y N 1.438 121.796 120.300 0.097 0.000 2.102 197 Y HA -0.322 4.229 4.550 0.001 0.000 0.280 197 Y C 2.139 177.922 175.900 -0.196 0.000 1.178 197 Y CA 2.299 60.399 58.100 -0.000 0.000 1.146 197 Y CB -0.958 37.547 38.460 0.074 0.000 0.968 197 Y HN 0.090 nan 8.280 nan 0.000 0.504 198 D N 0.237 120.412 120.400 -0.375 0.000 2.117 198 D HA -0.181 4.459 4.640 0.001 0.000 0.197 198 D C 2.357 178.345 176.300 -0.520 0.000 0.987 198 D CA 1.636 55.342 54.000 -0.491 0.000 0.829 198 D CB -0.719 39.933 40.800 -0.248 0.000 0.961 198 D HN 0.512 nan 8.370 nan 0.000 0.460 199 A N 0.615 123.176 122.820 -0.432 0.000 1.883 199 A HA -0.167 4.153 4.320 0.001 0.000 0.217 199 A C 2.478 179.755 177.584 -0.510 0.000 1.186 199 A CA 2.456 54.246 52.037 -0.411 0.000 0.624 199 A CB -0.818 17.971 19.000 -0.353 0.000 0.822 199 A HN 0.239 nan 8.150 nan 0.000 0.444 200 V N -1.601 117.897 119.914 -0.694 0.000 2.407 200 V HA -0.102 4.018 4.120 0.001 0.000 0.245 200 V C 2.394 177.883 176.094 -1.008 0.000 1.041 200 V CA 2.095 63.981 62.300 -0.689 0.000 1.040 200 V CB -1.249 30.220 31.823 -0.589 0.000 0.671 200 V HN 0.669 nan 8.190 nan 0.000 0.455 201 S N 1.728 116.648 115.700 -1.299 0.000 2.481 201 S HA -0.113 4.357 4.470 0.001 0.000 0.231 201 S C 1.717 175.584 174.600 -1.221 0.000 0.996 201 S CA 1.211 58.580 58.200 -1.385 0.000 0.942 201 S CB -0.985 61.521 63.200 -1.156 0.000 0.768 201 S HN 0.889 nan 8.310 nan 0.000 0.520 202 T N -2.135 111.836 114.554 -0.971 0.000 3.186 202 T HA 0.361 4.712 4.350 0.001 0.000 0.257 202 T C 0.162 174.484 174.700 -0.630 0.000 1.029 202 T CA -0.586 61.002 62.100 -0.853 0.000 0.916 202 T CB -1.063 67.513 68.868 -0.487 0.000 1.041 202 T HN 0.280 nan 8.240 nan 0.000 0.562 203 F N 0.365 120.168 119.950 -0.245 0.000 3.057 203 F HA -0.197 4.330 4.527 0.001 0.000 0.287 203 F C 1.118 176.874 175.800 -0.072 0.000 0.834 203 F CA 0.137 58.066 58.000 -0.118 0.000 1.147 203 F CB -2.627 36.342 39.000 -0.051 0.000 1.245 203 F HN 0.330 nan 8.300 nan 0.000 0.509 204 K N -0.118 120.275 120.400 -0.012 0.000 2.262 204 K HA 0.319 4.640 4.320 0.001 0.000 0.200 204 K C 0.668 177.314 176.600 0.075 0.000 1.049 204 K CA 0.918 57.218 56.287 0.021 0.000 0.979 204 K CB 0.639 33.106 32.500 -0.055 0.000 0.773 204 K HN 0.302 nan 8.250 nan 0.000 0.474 205 I N 0.594 121.161 120.570 -0.004 0.000 2.466 205 I HA 0.138 4.308 4.170 0.001 0.000 0.289 205 I C -0.724 175.400 176.117 0.012 0.000 1.026 205 I CA -0.539 60.759 61.300 -0.005 0.000 1.078 205 I CB 2.285 40.230 38.000 -0.092 0.000 1.249 205 I HN -0.157 nan 8.210 nan 0.000 0.429 206 S N 6.171 121.900 115.700 0.049 0.000 2.549 206 S HA 0.761 5.231 4.470 0.001 0.000 0.297 206 S C -0.545 174.114 174.600 0.098 0.000 1.115 206 S CA -0.503 57.766 58.200 0.115 0.000 1.059 206 S CB 1.409 64.685 63.200 0.127 0.000 1.046 206 S HN 0.303 nan 8.310 nan 0.000 0.506 207 L N 3.805 125.123 121.223 0.158 0.000 2.370 207 L HA 0.548 4.889 4.340 0.001 0.000 0.266 207 L C -2.204 174.738 176.870 0.119 0.000 1.002 207 L CA -2.145 52.767 54.840 0.120 0.000 0.818 207 L CB 1.912 44.053 42.059 0.135 0.000 1.325 207 L HN 0.416 nan 8.230 nan 0.000 0.418 208 P HA 0.070 nan 4.420 nan 0.000 0.270 208 P C 0.376 177.708 177.300 0.053 0.000 1.223 208 P CA -0.217 62.935 63.100 0.087 0.000 0.785 208 P CB 0.564 32.305 31.700 0.067 0.000 0.923 209 T N 1.974 116.584 114.554 0.093 0.000 2.665 209 T HA -0.099 4.251 4.350 0.001 0.000 0.268 209 T C -0.873 173.820 174.700 -0.011 0.000 1.035 209 T CA 2.354 64.481 62.100 0.044 0.000 1.151 209 T CB -1.792 67.183 68.868 0.179 0.000 0.862 209 T HN 0.510 nan 8.240 nan 0.000 0.438 210 P HA -0.012 nan 4.420 nan 0.000 0.216 210 P C 1.403 178.846 177.300 0.237 0.000 1.150 210 P CA 0.949 64.152 63.100 0.171 0.000 0.843 210 P CB -0.171 31.657 31.700 0.213 0.000 0.787 211 I N -1.786 118.831 120.570 0.079 0.000 2.133 211 I HA -0.200 3.970 4.170 0.001 0.000 0.238 211 I C 2.241 178.297 176.117 -0.103 0.000 1.074 211 I CA 1.360 62.606 61.300 -0.090 0.000 1.342 211 I CB -0.623 37.300 38.000 -0.128 0.000 1.053 211 I HN -0.106 nan 8.210 nan 0.000 0.404 212 M N 0.395 119.873 119.600 -0.202 0.000 2.446 212 M HA -0.111 4.369 4.480 0.001 0.000 0.263 212 M C 2.320 178.401 176.300 -0.366 0.000 1.066 212 M CA 1.509 56.581 55.300 -0.381 0.000 1.087 212 M CB -1.097 30.966 32.600 -0.895 0.000 1.406 212 M HN 0.417 nan 8.290 nan 0.000 0.459 213 S N -1.518 114.054 115.700 -0.213 0.000 2.497 213 S HA 0.162 4.632 4.470 0.001 0.000 0.218 213 S C 1.778 176.435 174.600 0.096 0.000 1.023 213 S CA 0.483 58.652 58.200 -0.052 0.000 0.913 213 S CB 0.000 63.196 63.200 -0.007 0.000 0.800 213 S HN 0.419 nan 8.310 nan 0.000 0.505 214 G N 0.871 109.788 108.800 0.196 0.000 2.743 214 G HA2 0.311 4.272 3.960 0.001 0.000 0.206 214 G HA3 0.311 4.272 3.960 0.001 0.000 0.206 214 G C 0.094 175.258 174.900 0.440 0.000 1.115 214 G CA 0.055 45.391 45.100 0.393 0.000 0.782 214 G HN 0.360 nan 8.290 nan 0.000 0.524 215 V N 2.726 122.763 119.914 0.206 0.000 2.381 215 V HA 0.377 4.498 4.120 0.001 0.000 0.257 215 V C 1.066 177.208 176.094 0.079 0.000 1.057 215 V CA 0.981 63.323 62.300 0.070 0.000 1.013 215 V CB -0.091 31.584 31.823 -0.247 0.000 1.069 215 V HN 0.749 nan 8.190 nan 0.000 0.484 216 R N 2.640 123.227 120.500 0.145 0.000 1.615 216 R HA -0.097 4.243 4.340 0.001 0.000 0.344 216 R C 0.266 176.604 176.300 0.062 0.000 0.195 216 R CA 0.647 56.735 56.100 -0.021 0.000 1.457 216 R CB -1.252 28.916 30.300 -0.221 0.000 1.776 216 R HN 0.669 nan 8.270 nan 0.000 0.195 217 T N -1.499 113.178 114.554 0.204 0.000 2.923 217 T HA 0.615 4.965 4.350 0.001 0.000 0.281 217 T C -2.112 172.703 174.700 0.192 0.000 0.995 217 T CA -1.562 60.669 62.100 0.219 0.000 0.985 217 T CB 2.188 71.181 68.868 0.209 0.000 1.114 217 T HN -0.127 nan 8.240 nan 0.000 0.548 218 P HA 0.107 nan 4.420 nan 0.000 0.234 218 P C 0.604 177.922 177.300 0.031 0.000 1.167 218 P CA 0.450 63.601 63.100 0.085 0.000 0.763 218 P CB -0.169 31.560 31.700 0.048 0.000 0.835 219 T N 0.405 114.970 114.554 0.017 0.000 2.899 219 T HA 0.200 4.550 4.350 0.001 0.000 0.295 219 T C 0.914 175.476 174.700 -0.230 0.000 1.033 219 T CA -0.309 61.718 62.100 -0.121 0.000 1.084 219 T CB 0.246 69.012 68.868 -0.170 0.000 0.979 219 T HN -0.135 nan 8.240 nan 0.000 0.532 220 R N 2.774 123.027 120.500 -0.411 0.000 2.629 220 R HA 0.186 4.526 4.340 0.001 0.000 0.408 220 R C -0.287 175.539 176.300 -0.789 0.000 1.057 220 R CA -0.110 55.677 56.100 -0.522 0.000 1.119 220 R CB 0.459 30.577 30.300 -0.302 0.000 1.403 220 R HN 0.658 nan 8.270 nan 0.000 0.576 221 Q N 0.343 119.568 119.800 -0.959 0.000 2.421 221 Q HA 0.292 4.633 4.340 0.001 0.000 0.242 221 Q C -0.394 175.144 176.000 -0.770 0.000 1.024 221 Q CA -0.044 55.369 55.803 -0.651 0.000 0.891 221 Q CB 0.536 29.058 28.738 -0.360 0.000 1.222 221 Q HN 0.056 nan 8.270 nan 0.000 0.483 222 F N -1.106 118.825 119.950 -0.032 0.000 2.856 222 F HA 0.181 4.709 4.527 0.001 0.000 0.338 222 F C 0.459 176.254 175.800 -0.008 0.000 1.100 222 F CA -0.427 57.567 58.000 -0.011 0.000 1.150 222 F CB 1.020 40.020 39.000 0.000 0.000 1.101 222 F HN 0.168 nan 8.300 nan 0.000 0.548 223 S N 0.861 116.628 115.700 0.113 0.000 2.422 223 S HA 0.209 4.680 4.470 0.001 0.000 0.283 223 S C 1.114 175.752 174.600 0.064 0.000 1.163 223 S CA 0.070 58.317 58.200 0.078 0.000 1.054 223 S CB 0.556 63.807 63.200 0.085 0.000 0.967 223 S HN 0.332 nan 8.310 nan 0.000 0.499 224 S N 0.930 116.655 115.700 0.042 0.000 2.559 224 S HA 0.175 4.645 4.470 0.001 0.000 0.226 224 S C 0.325 174.921 174.600 -0.008 0.000 1.000 224 S CA -0.490 57.730 58.200 0.033 0.000 0.948 224 S CB 0.050 63.283 63.200 0.054 0.000 0.870 224 S HN 0.648 nan 8.310 nan 0.000 0.497 225 C N 2.091 121.361 119.300 -0.050 0.000 2.789 225 C HA 0.765 5.225 4.460 0.001 0.000 0.324 225 C C -0.515 174.396 174.990 -0.132 0.000 1.042 225 C CA -0.414 58.565 59.018 -0.065 0.000 1.396 225 C CB -0.030 27.693 27.740 -0.028 0.000 1.870 225 C HN 0.571 nan 8.230 nan 0.000 0.470 226 V N 5.889 125.692 119.914 -0.185 0.000 2.769 226 V HA 0.902 5.022 4.120 0.001 0.000 0.312 226 V C -1.544 174.455 176.094 -0.158 0.000 1.061 226 V CA -0.604 61.535 62.300 -0.268 0.000 0.931 226 V CB 1.917 33.377 31.823 -0.604 0.000 1.010 226 V HN 0.650 nan 8.190 nan 0.000 0.433 227 L N 6.120 127.261 121.223 -0.136 0.000 2.376 227 L HA 0.666 5.006 4.340 0.001 0.000 0.275 227 L C -0.437 176.378 176.870 -0.091 0.000 0.987 227 L CA -0.099 54.682 54.840 -0.099 0.000 0.828 227 L CB 1.793 43.788 42.059 -0.106 0.000 1.249 227 L HN 0.640 nan 8.230 nan 0.000 0.409 228 I N 1.888 122.410 120.570 -0.081 0.000 2.466 228 I HA 0.425 4.595 4.170 0.001 0.000 0.289 228 I C -0.317 175.754 176.117 -0.077 0.000 1.026 228 I CA -0.631 60.626 61.300 -0.072 0.000 1.078 228 I CB 2.178 40.132 38.000 -0.078 0.000 1.249 228 I HN 0.609 nan 8.210 nan 0.000 0.429 229 E N 5.288 125.454 120.200 -0.057 0.000 2.156 229 E HA 0.290 4.641 4.350 0.001 0.000 0.279 229 E C -1.360 175.228 176.600 -0.019 0.000 0.965 229 E CA -0.530 55.848 56.400 -0.037 0.000 0.789 229 E CB 1.809 31.488 29.700 -0.035 0.000 1.098 229 E HN 0.713 nan 8.360 nan 0.000 0.397 230 C N 4.366 123.660 119.300 -0.010 0.000 2.388 230 C HA 0.735 5.195 4.460 0.001 0.000 0.362 230 C C 0.795 175.819 174.990 0.056 0.000 1.266 230 C CA -0.153 58.884 59.018 0.032 0.000 2.028 230 C CB -0.441 27.337 27.740 0.062 0.000 2.440 230 C HN 0.845 nan 8.230 nan 0.000 0.547 231 G N 3.008 111.842 108.800 0.057 0.000 2.502 231 G HA2 0.315 4.276 3.960 0.001 0.000 0.305 231 G HA3 0.315 4.276 3.960 0.001 0.000 0.305 231 G C -0.318 174.601 174.900 0.031 0.000 1.190 231 G CA -0.121 44.995 45.100 0.028 0.000 0.933 231 G HN 0.793 nan 8.290 nan 0.000 0.503 232 D N -0.438 119.931 120.400 -0.051 0.000 2.934 232 D HA 0.305 4.945 4.640 0.001 0.000 0.237 232 D C 0.398 176.540 176.300 -0.263 0.000 1.158 232 D CA 0.017 53.911 54.000 -0.176 0.000 0.971 232 D CB -0.490 40.140 40.800 -0.283 0.000 1.123 232 D HN 0.453 nan 8.370 nan 0.000 0.467 233 S N -0.552 115.228 115.700 0.134 0.000 2.565 233 S HA 0.278 4.749 4.470 0.001 0.000 0.269 233 S C 0.714 175.534 174.600 0.366 0.000 1.153 233 S CA -0.886 57.519 58.200 0.342 0.000 0.835 233 S CB 0.722 63.996 63.200 0.122 0.000 1.122 233 S HN 0.070 nan 8.310 nan 0.000 0.462 234 L N 0.898 122.285 121.223 0.272 0.000 2.156 234 L HA 0.019 4.360 4.340 0.001 0.000 0.208 234 L C 1.753 178.673 176.870 0.083 0.000 1.095 234 L CA 1.047 55.920 54.840 0.057 0.000 0.770 234 L CB -0.538 41.523 42.059 0.003 0.000 0.914 234 L HN 0.698 nan 8.230 nan 0.000 0.439 235 D N -0.600 119.860 120.400 0.101 0.000 2.117 235 D HA -0.189 4.451 4.640 0.001 0.000 0.197 235 D C 2.363 178.721 176.300 0.096 0.000 0.987 235 D CA 1.515 55.568 54.000 0.088 0.000 0.829 235 D CB 0.006 40.852 40.800 0.076 0.000 0.961 235 D HN 0.093 nan 8.370 nan 0.000 0.460 236 S N -0.386 115.376 115.700 0.104 0.000 2.371 236 S HA -0.042 4.428 4.470 0.001 0.000 0.224 236 S C 2.138 176.828 174.600 0.149 0.000 1.029 236 S CA 0.327 58.592 58.200 0.107 0.000 0.978 236 S CB -0.181 63.074 63.200 0.092 0.000 0.833 236 S HN 0.143 nan 8.310 nan 0.000 0.466 237 I N 2.121 122.788 120.570 0.161 0.000 2.163 237 I HA -0.215 3.956 4.170 0.001 0.000 0.243 237 I C 2.205 178.499 176.117 0.296 0.000 1.085 237 I CA 1.133 62.581 61.300 0.247 0.000 1.347 237 I CB -0.458 37.547 38.000 0.008 0.000 1.044 237 I HN 0.290 nan 8.210 nan 0.000 0.408 238 N N 1.020 119.838 118.700 0.197 0.000 2.120 238 N HA -0.144 4.596 4.740 0.001 0.000 0.188 238 N C 1.874 177.488 175.510 0.172 0.000 1.024 238 N CA 1.688 54.854 53.050 0.193 0.000 0.852 238 N CB -0.455 38.111 38.487 0.133 0.000 1.003 238 N HN 0.384 nan 8.380 nan 0.000 0.424 239 A N 0.308 123.212 122.820 0.140 0.000 1.898 239 A HA -0.095 4.225 4.320 0.001 0.000 0.216 239 A C 2.353 180.006 177.584 0.115 0.000 1.181 239 A CA 1.931 54.035 52.037 0.111 0.000 0.620 239 A CB -1.101 17.953 19.000 0.089 0.000 0.819 239 A HN 0.303 nan 8.150 nan 0.000 0.442 240 T N -0.333 114.299 114.554 0.130 0.000 2.684 240 T HA -0.178 4.172 4.350 0.001 0.000 0.267 240 T C 2.285 177.051 174.700 0.111 0.000 1.036 240 T CA 1.900 64.046 62.100 0.077 0.000 1.148 240 T CB -0.427 68.447 68.868 0.010 0.000 0.863 240 T HN 0.546 nan 8.240 nan 0.000 0.436 241 S N 0.652 116.500 115.700 0.246 0.000 2.356 241 S HA -0.127 4.344 4.470 0.001 0.000 0.223 241 S C 2.359 177.029 174.600 0.117 0.000 1.032 241 S CA 1.699 60.030 58.200 0.219 0.000 1.005 241 S CB -0.524 62.822 63.200 0.243 0.000 0.867 241 S HN 0.448 nan 8.310 nan 0.000 0.449 242 S N 1.388 117.158 115.700 0.116 0.000 2.382 242 S HA 0.034 4.505 4.470 0.001 0.000 0.228 242 S C 2.205 176.843 174.600 0.064 0.000 1.027 242 S CA 1.045 59.293 58.200 0.079 0.000 0.991 242 S CB -0.657 62.588 63.200 0.075 0.000 0.823 242 S HN 0.712 nan 8.310 nan 0.000 0.469 243 A N 1.259 124.130 122.820 0.084 0.000 1.930 243 A HA 0.003 4.323 4.320 0.001 0.000 0.217 243 A C 2.045 179.722 177.584 0.154 0.000 1.175 243 A CA 1.017 53.122 52.037 0.113 0.000 0.627 243 A CB -0.617 18.464 19.000 0.135 0.000 0.815 243 A HN 0.479 nan 8.150 nan 0.000 0.443 244 I N -0.618 120.018 120.570 0.110 0.000 2.202 244 I HA -0.201 3.969 4.170 0.001 0.000 0.242 244 I C 2.354 178.526 176.117 0.091 0.000 1.091 244 I CA 1.017 62.379 61.300 0.102 0.000 1.368 244 I CB -0.299 37.733 38.000 0.053 0.000 1.058 244 I HN 0.146 nan 8.210 nan 0.000 0.410 245 V N 0.863 120.811 119.914 0.057 0.000 2.287 245 V HA -0.290 3.830 4.120 0.001 0.000 0.248 245 V C 2.562 178.663 176.094 0.011 0.000 1.053 245 V CA 1.694 64.013 62.300 0.031 0.000 1.027 245 V CB -0.707 31.128 31.823 0.021 0.000 0.646 245 V HN 0.347 nan 8.190 nan 0.000 0.447 246 K N -0.782 119.607 120.400 -0.018 0.000 2.032 246 K HA -0.202 4.118 4.320 0.001 0.000 0.209 246 K C 2.092 178.602 176.600 -0.151 0.000 1.048 246 K CA 1.944 58.161 56.287 -0.116 0.000 0.927 246 K CB -0.577 31.802 32.500 -0.202 0.000 0.712 246 K HN 0.525 nan 8.250 nan 0.000 0.441 247 Y N 0.666 120.964 120.300 -0.003 0.000 2.286 247 Y HA -0.144 4.406 4.550 0.001 0.000 0.293 247 Y C 2.278 178.174 175.900 -0.008 0.000 1.124 247 Y CA 0.856 58.951 58.100 -0.008 0.000 1.178 247 Y CB -0.464 37.995 38.460 -0.002 0.000 1.010 247 Y HN -0.078 nan 8.280 nan 0.000 0.536 248 V N -2.034 117.964 119.914 0.140 0.000 2.809 248 V HA -0.143 3.977 4.120 0.001 0.000 0.256 248 V C 2.094 178.216 176.094 0.047 0.000 1.080 248 V CA 1.608 63.958 62.300 0.083 0.000 1.102 248 V CB -1.124 30.735 31.823 0.061 0.000 0.705 248 V HN 0.434 nan 8.190 nan 0.000 0.475 249 S N 0.716 116.430 115.700 0.023 0.000 2.442 249 S HA -0.202 4.268 4.470 0.001 0.000 0.236 249 S C 1.715 176.310 174.600 -0.007 0.000 1.007 249 S CA 1.497 59.695 58.200 -0.002 0.000 0.965 249 S CB -0.631 62.554 63.200 -0.026 0.000 0.773 249 S HN 0.800 nan 8.310 nan 0.000 0.504 250 Q N 0.105 119.907 119.800 0.005 0.000 2.188 250 Q HA 0.418 4.758 4.340 0.001 0.000 0.212 250 Q C -0.175 175.847 176.000 0.037 0.000 0.846 250 Q CA -0.333 55.472 55.803 0.002 0.000 0.989 250 Q CB 0.237 28.964 28.738 -0.018 0.000 1.114 250 Q HN 0.475 nan 8.270 nan 0.000 0.488 251 R N -0.901 119.628 120.500 0.048 0.000 3.872 251 R HA -0.162 4.178 4.340 0.001 0.000 0.341 251 R C -0.430 175.908 176.300 0.064 0.000 1.172 251 R CA 0.407 56.538 56.100 0.051 0.000 0.901 251 R CB -2.019 28.306 30.300 0.041 0.000 1.422 251 R HN 0.321 nan 8.270 nan 0.000 0.523 252 A N 0.611 123.483 122.820 0.087 0.000 2.371 252 A HA 0.610 4.930 4.320 0.001 0.000 0.257 252 A C 0.902 178.511 177.584 0.042 0.000 1.089 252 A CA 0.419 52.496 52.037 0.067 0.000 0.794 252 A CB 0.604 19.654 19.000 0.084 0.000 1.029 252 A HN 0.303 nan 8.150 nan 0.000 0.488 253 G N 0.741 109.552 108.800 0.019 0.000 2.395 253 G HA2 0.526 4.486 3.960 0.001 0.000 0.283 253 G HA3 0.526 4.486 3.960 0.001 0.000 0.283 253 G C -0.348 174.545 174.900 -0.012 0.000 1.178 253 G CA -0.406 44.702 45.100 0.014 0.000 0.837 253 G HN 0.540 nan 8.290 nan 0.000 0.518 254 I N 1.228 121.795 120.570 -0.005 0.000 2.474 254 I HA 0.452 4.623 4.170 0.001 0.000 0.294 254 I C 0.613 176.736 176.117 0.011 0.000 1.005 254 I CA -0.857 60.431 61.300 -0.021 0.000 1.113 254 I CB 1.310 39.296 38.000 -0.024 0.000 1.289 254 I HN 0.526 nan 8.210 nan 0.000 0.436 255 G N 6.525 115.343 108.800 0.031 0.000 2.335 255 G HA2 0.711 4.672 3.960 0.001 0.000 0.314 255 G HA3 0.711 4.672 3.960 0.001 0.000 0.314 255 G C -0.645 174.305 174.900 0.082 0.000 1.129 255 G CA -0.359 44.832 45.100 0.151 0.000 0.912 255 G HN 0.492 nan 8.290 nan 0.000 0.443 256 I N 2.160 122.792 120.570 0.103 0.000 2.389 256 I HA 0.217 4.387 4.170 0.001 0.000 0.288 256 I C -0.492 175.695 176.117 0.117 0.000 0.999 256 I CA -1.050 60.232 61.300 -0.029 0.000 1.129 256 I CB 2.040 39.895 38.000 -0.242 0.000 1.288 256 I HN 0.301 nan 8.210 nan 0.000 0.444 257 N N 5.228 123.967 118.700 0.065 0.000 2.420 257 N HA 0.439 5.179 4.740 0.001 0.000 0.249 257 N C 0.032 175.605 175.510 0.105 0.000 1.033 257 N CA -0.191 52.946 53.050 0.144 0.000 0.944 257 N CB 1.674 40.209 38.487 0.080 0.000 1.113 257 N HN 0.766 nan 8.380 nan 0.000 0.502 258 A N 2.332 125.257 122.820 0.174 0.000 2.538 258 A HA 0.331 4.652 4.320 0.001 0.000 0.269 258 A C 1.566 179.347 177.584 0.328 0.000 1.231 258 A CA 0.115 52.292 52.037 0.234 0.000 0.948 258 A CB -0.156 18.985 19.000 0.235 0.000 1.110 258 A HN 0.635 nan 8.150 nan 0.000 0.529 259 G N 0.536 109.542 108.800 0.342 0.000 2.448 259 G HA2 -0.201 3.760 3.960 0.001 0.000 0.219 259 G HA3 -0.201 3.760 3.960 0.001 0.000 0.219 259 G C 1.536 176.564 174.900 0.213 0.000 1.127 259 G CA 0.755 46.083 45.100 0.381 0.000 0.766 259 G HN 0.560 nan 8.290 nan 0.000 0.552 260 R N -0.373 120.133 120.500 0.009 0.000 2.236 260 R HA 0.188 4.529 4.340 0.001 0.000 0.208 260 R C 0.599 176.898 176.300 -0.003 0.000 1.036 260 R CA -0.176 55.805 56.100 -0.199 0.000 1.001 260 R CB -0.092 30.043 30.300 -0.276 0.000 0.896 260 R HN 0.326 nan 8.270 nan 0.000 0.464 261 I N 3.575 124.235 120.570 0.150 0.000 2.668 261 I HA -0.079 4.092 4.170 0.001 0.000 0.285 261 I C 0.790 177.058 176.117 0.252 0.000 1.168 261 I CA 0.070 61.491 61.300 0.203 0.000 1.424 261 I CB 0.255 38.445 38.000 0.316 0.000 1.377 261 I HN 0.188 nan 8.210 nan 0.000 0.560 262 R N 6.036 126.616 120.500 0.134 0.000 2.694 262 R HA 0.536 4.876 4.340 0.001 0.000 0.268 262 R C -0.113 176.317 176.300 0.215 0.000 1.061 262 R CA -0.675 55.490 56.100 0.110 0.000 1.133 262 R CB 0.404 30.685 30.300 -0.032 0.000 1.020 262 R HN 0.612 nan 8.270 nan 0.000 0.475 263 A N 2.986 125.886 122.820 0.133 0.000 2.366 263 A HA 0.207 4.527 4.320 0.001 0.000 0.249 263 A C -0.020 177.616 177.584 0.086 0.000 1.084 263 A CA -0.746 51.387 52.037 0.160 0.000 0.794 263 A CB 0.304 19.338 19.000 0.056 0.000 1.034 263 A HN 0.729 nan 8.150 nan 0.000 0.491 264 L N 1.674 122.937 121.223 0.067 0.000 2.653 264 L HA 0.317 4.658 4.340 0.001 0.000 0.288 264 L C 1.334 178.184 176.870 -0.033 0.000 1.243 264 L CA 2.263 57.116 54.840 0.021 0.000 0.906 264 L CB -0.418 41.642 42.059 0.001 0.000 1.154 264 L HN 1.727 nan 8.230 nan 0.000 0.498 265 G N 2.336 111.073 108.800 -0.105 0.000 2.175 265 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 265 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 265 G C 0.484 175.163 174.900 -0.367 0.000 0.982 265 G CA 0.218 45.172 45.100 -0.244 0.000 0.641 265 G HN 0.886 nan 8.290 nan 0.000 0.527 266 S N 2.818 118.364 115.700 -0.257 0.000 2.564 266 S HA 0.489 4.959 4.470 0.001 0.000 0.278 266 S C -1.716 172.752 174.600 -0.221 0.000 1.333 266 S CA -0.551 57.545 58.200 -0.174 0.000 1.048 266 S CB 1.155 64.319 63.200 -0.061 0.000 0.900 266 S HN 0.337 nan 8.310 nan 0.000 0.505 267 P HA -0.080 nan 4.420 nan 0.000 0.261 267 P C -0.137 177.212 177.300 0.082 0.000 1.158 267 P CA 0.293 63.384 63.100 -0.015 0.000 0.758 267 P CB -0.316 31.383 31.700 -0.003 0.000 0.763 268 I N 1.267 121.968 120.570 0.218 0.000 2.725 268 I HA 0.039 4.209 4.170 0.001 0.000 0.296 268 I C 2.026 178.235 176.117 0.153 0.000 1.155 268 I CA -0.433 61.020 61.300 0.256 0.000 1.450 268 I CB -0.547 37.604 38.000 0.252 0.000 1.478 268 I HN 0.242 nan 8.210 nan 0.000 0.642 269 R N 6.059 126.653 120.500 0.155 0.000 2.290 269 R HA -0.269 4.071 4.340 0.001 0.000 0.232 269 R C 1.534 177.884 176.300 0.083 0.000 1.110 269 R CA 2.886 59.053 56.100 0.111 0.000 0.871 269 R CB -0.733 29.664 30.300 0.161 0.000 0.964 269 R HN 0.921 nan 8.270 nan 0.000 0.410 270 G N -5.679 103.176 108.800 0.092 0.000 4.103 270 G HA2 0.162 4.123 3.960 0.001 0.000 0.163 270 G HA3 0.162 4.123 3.960 0.001 0.000 0.163 270 G C 0.695 175.633 174.900 0.064 0.000 0.840 270 G CA 0.331 45.470 45.100 0.065 0.000 0.905 270 G HN 0.770 nan 8.290 nan 0.000 0.377 271 G N -0.098 108.751 108.800 0.082 0.000 2.593 271 G HA2 0.207 4.167 3.960 0.001 0.000 0.189 271 G HA3 0.207 4.167 3.960 0.001 0.000 0.189 271 G C -0.116 174.834 174.900 0.084 0.000 1.560 271 G CA -0.033 45.109 45.100 0.069 0.000 0.648 271 G HN 0.252 nan 8.290 nan 0.000 1.097 272 E N 1.623 121.902 120.200 0.131 0.000 2.129 272 E HA 0.507 4.857 4.350 0.001 0.000 0.283 272 E C -0.114 176.603 176.600 0.196 0.000 1.080 272 E CA -0.326 56.169 56.400 0.158 0.000 0.867 272 E CB 1.535 31.400 29.700 0.275 0.000 1.056 272 E HN 0.318 nan 8.360 nan 0.000 0.404 273 A N 4.005 126.850 122.820 0.042 0.000 2.350 273 A HA 0.243 4.563 4.320 0.001 0.000 0.293 273 A C -0.250 177.311 177.584 -0.040 0.000 1.231 273 A CA -0.108 51.964 52.037 0.059 0.000 0.883 273 A CB -0.337 18.674 19.000 0.018 0.000 1.133 273 A HN 0.679 nan 8.150 nan 0.000 0.533 274 F N 0.117 120.183 119.950 0.193 0.000 2.767 274 F HA 0.130 4.658 4.527 0.001 0.000 0.323 274 F C 1.906 177.811 175.800 0.175 0.000 1.091 274 F CA -0.088 58.044 58.000 0.219 0.000 1.192 274 F CB 0.050 39.126 39.000 0.127 0.000 1.056 274 F HN 0.809 nan 8.300 nan 0.000 0.571 275 H N 0.726 119.923 119.070 0.210 0.000 2.400 275 H HA -0.195 4.362 4.556 0.001 0.000 0.295 275 H C 1.961 177.333 175.328 0.073 0.000 1.118 275 H CA 2.269 58.385 56.048 0.113 0.000 1.256 275 H CB -0.041 29.759 29.762 0.063 0.000 1.365 275 H HN 0.285 nan 8.280 nan 0.000 0.502 276 T N -2.377 112.284 114.554 0.179 0.000 3.129 276 T HA 0.356 4.706 4.350 0.001 0.000 0.251 276 T C 1.055 175.756 174.700 0.002 0.000 1.117 276 T CA 0.587 62.717 62.100 0.048 0.000 1.034 276 T CB 0.312 69.140 68.868 -0.065 0.000 0.968 276 T HN 0.680 nan 8.240 nan 0.000 0.526 277 G N -0.135 108.727 108.800 0.103 0.000 2.685 277 G HA2 -0.195 3.765 3.960 0.001 0.000 0.387 277 G HA3 -0.195 3.765 3.960 0.001 0.000 0.387 277 G C 0.685 175.660 174.900 0.124 0.000 1.324 277 G CA -0.596 44.566 45.100 0.103 0.000 0.878 277 G HN 0.321 nan 8.290 nan 0.000 0.527 278 C N -0.289 119.018 119.300 0.013 0.000 2.466 278 C HA 0.073 4.533 4.460 0.001 0.000 0.278 278 C C 3.030 177.833 174.990 -0.312 0.000 1.288 278 C CA 1.438 60.390 59.018 -0.111 0.000 1.722 278 C CB -1.560 25.857 27.740 -0.539 0.000 2.017 278 C HN 0.542 nan 8.230 nan 0.000 0.488 279 I N 1.634 121.963 120.570 -0.401 0.000 2.163 279 I HA -0.164 4.006 4.170 0.001 0.000 0.243 279 I C -0.518 175.506 176.117 -0.155 0.000 1.085 279 I CA 1.782 62.886 61.300 -0.327 0.000 1.347 279 I CB -1.745 36.108 38.000 -0.247 0.000 1.044 279 I HN 0.211 nan 8.210 nan 0.000 0.408 280 P HA -0.167 nan 4.420 nan 0.000 0.217 280 P C 1.475 178.588 177.300 -0.312 0.000 1.148 280 P CA 1.584 64.498 63.100 -0.310 0.000 0.828 280 P CB -0.085 31.318 31.700 -0.496 0.000 0.783 281 F N -2.838 117.051 119.950 -0.102 0.000 2.234 281 F HA -0.099 4.429 4.527 0.001 0.000 0.296 281 F C 2.267 177.919 175.800 -0.246 0.000 1.089 281 F CA 0.956 58.830 58.000 -0.209 0.000 1.343 281 F CB -1.500 37.395 39.000 -0.175 0.000 1.040 281 F HN -0.117 nan 8.300 nan 0.000 0.498 282 Y N 0.704 121.013 120.300 0.015 0.000 2.165 282 Y HA -0.243 4.307 4.550 0.001 0.000 0.286 282 Y C 2.462 178.445 175.900 0.139 0.000 1.155 282 Y CA 1.130 59.333 58.100 0.171 0.000 1.164 282 Y CB -1.172 37.423 38.460 0.225 0.000 0.978 282 Y HN 0.025 nan 8.280 nan 0.000 0.513 283 K N -0.937 119.606 120.400 0.238 0.000 2.097 283 K HA -0.231 4.089 4.320 0.001 0.000 0.206 283 K C 2.071 178.763 176.600 0.153 0.000 1.049 283 K CA 1.581 57.966 56.287 0.165 0.000 0.933 283 K CB -0.285 32.266 32.500 0.085 0.000 0.717 283 K HN 0.287 nan 8.250 nan 0.000 0.442 284 H N -0.822 118.236 119.070 -0.019 0.000 2.389 284 H HA -0.079 4.477 4.556 0.001 0.000 0.299 284 H C 1.334 176.706 175.328 0.073 0.000 1.081 284 H CA 1.883 57.914 56.048 -0.028 0.000 1.345 284 H CB -0.068 29.633 29.762 -0.102 0.000 1.393 284 H HN 0.149 nan 8.280 nan 0.000 0.520 285 F N 0.667 120.697 119.950 0.133 0.000 2.134 285 F HA -0.144 4.384 4.527 0.001 0.000 0.299 285 F C 2.814 178.619 175.800 0.009 0.000 1.097 285 F CA 1.454 59.474 58.000 0.033 0.000 1.264 285 F CB -1.116 37.920 39.000 0.061 0.000 1.001 285 F HN 0.317 nan 8.300 nan 0.000 0.479 286 Q N 0.447 120.387 119.800 0.234 0.000 2.061 286 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 286 Q C 2.111 178.170 176.000 0.098 0.000 0.984 286 Q CA 2.851 58.748 55.803 0.157 0.000 0.846 286 Q CB -0.258 28.587 28.738 0.179 0.000 0.902 286 Q HN 0.508 nan 8.270 nan 0.000 0.421 287 T N -2.003 112.594 114.554 0.071 0.000 2.915 287 T HA 0.058 4.408 4.350 0.001 0.000 0.269 287 T C 1.832 176.531 174.700 -0.002 0.000 1.071 287 T CA 0.860 62.980 62.100 0.033 0.000 1.132 287 T CB -0.376 68.517 68.868 0.042 0.000 0.878 287 T HN 0.377 nan 8.240 nan 0.000 0.479 288 A N 1.464 124.264 122.820 -0.033 0.000 1.877 288 A HA 0.058 4.379 4.320 0.001 0.000 0.216 288 A C 2.618 180.218 177.584 0.026 0.000 1.186 288 A CA 1.564 53.590 52.037 -0.018 0.000 0.620 288 A CB -1.154 17.844 19.000 -0.004 0.000 0.822 288 A HN 0.396 nan 8.150 nan 0.000 0.443 289 V N -0.348 119.594 119.914 0.048 0.000 2.392 289 V HA -0.216 3.904 4.120 0.001 0.000 0.249 289 V C 2.203 178.319 176.094 0.035 0.000 1.059 289 V CA 2.424 64.751 62.300 0.045 0.000 1.051 289 V CB -0.537 31.316 31.823 0.050 0.000 0.658 289 V HN 0.497 nan 8.190 nan 0.000 0.455 290 K N 0.290 120.708 120.400 0.030 0.000 2.387 290 K HA 0.084 4.404 4.320 0.001 0.000 0.198 290 K C 1.922 178.527 176.600 0.009 0.000 1.022 290 K CA 0.572 56.868 56.287 0.014 0.000 1.128 290 K CB 0.012 32.512 32.500 -0.001 0.000 0.853 290 K HN 0.595 nan 8.250 nan 0.000 0.523 291 S N -0.959 114.749 115.700 0.013 0.000 2.465 291 S HA -0.159 4.311 4.470 0.001 0.000 0.241 291 S C 1.047 175.652 174.600 0.009 0.000 1.000 291 S CA 0.625 58.831 58.200 0.011 0.000 0.964 291 S CB -0.421 62.786 63.200 0.010 0.000 0.763 291 S HN 0.260 nan 8.310 nan 0.000 0.512 292 C N 2.791 122.097 119.300 0.010 0.000 2.814 292 C HA 0.669 5.129 4.460 0.001 0.000 0.242 292 C C 0.200 175.195 174.990 0.008 0.000 1.704 292 C CA -0.813 58.210 59.018 0.008 0.000 1.608 292 C CB -1.298 26.448 27.740 0.010 0.000 2.939 292 C HN 0.595 nan 8.230 nan 0.000 0.512 293 S N -0.299 115.403 115.700 0.004 0.000 2.619 293 S HA 0.496 4.967 4.470 0.001 0.000 0.280 293 S C 0.256 174.854 174.600 -0.005 0.000 1.150 293 S CA -0.302 57.899 58.200 0.001 0.000 0.978 293 S CB 1.678 64.879 63.200 0.001 0.000 1.041 293 S HN 0.582 nan 8.310 nan 0.000 0.485 294 Q N 3.314 123.113 119.800 -0.001 0.000 2.726 294 Q HA -0.289 4.051 4.340 0.001 0.000 0.255 294 Q C 0.874 176.870 176.000 -0.007 0.000 1.486 294 Q CA 2.889 58.691 55.803 -0.003 0.000 1.024 294 Q CB -1.540 27.198 28.738 -0.001 0.000 0.876 294 Q HN 1.588 nan 8.270 nan 0.000 0.624 295 G N -1.874 106.917 108.800 -0.016 0.000 5.084 295 G HA2 0.493 4.454 3.960 0.001 0.000 0.241 295 G HA3 0.493 4.454 3.960 0.001 0.000 0.241 295 G C 0.545 175.421 174.900 -0.039 0.000 0.918 295 G CA 0.196 45.284 45.100 -0.020 0.000 0.754 295 G HN 1.377 nan 8.290 nan 0.000 0.478 296 G N -0.736 108.039 108.800 -0.042 0.000 2.176 296 G HA2 -0.156 3.804 3.960 0.001 0.000 0.252 296 G HA3 -0.156 3.804 3.960 0.001 0.000 0.252 296 G C 0.857 175.675 174.900 -0.137 0.000 1.024 296 G CA 1.077 46.138 45.100 -0.065 0.000 0.755 296 G HN 1.548 nan 8.290 nan 0.000 0.507 297 V N -4.295 115.546 119.914 -0.121 0.000 3.177 297 V HA 0.512 4.632 4.120 0.001 0.000 0.220 297 V C 0.919 176.977 176.094 -0.060 0.000 1.395 297 V CA 0.900 63.099 62.300 -0.169 0.000 1.317 297 V CB 0.133 31.847 31.823 -0.182 0.000 1.148 297 V HN 0.642 nan 8.190 nan 0.000 0.499 298 R N 2.196 122.680 120.500 -0.026 0.000 2.338 298 R HA 0.631 4.972 4.340 0.001 0.000 0.317 298 R C -0.087 176.221 176.300 0.012 0.000 0.968 298 R CA 0.673 56.777 56.100 0.006 0.000 0.849 298 R CB 0.786 31.094 30.300 0.013 0.000 1.128 298 R HN 1.445 nan 8.270 nan 0.000 0.448 299 G N 1.442 110.258 108.800 0.026 0.000 3.055 299 G HA2 0.326 4.286 3.960 0.001 0.000 0.686 299 G HA3 0.326 4.286 3.960 0.001 0.000 0.686 299 G C 0.040 174.957 174.900 0.029 0.000 1.087 299 G CA -0.067 45.051 45.100 0.029 0.000 0.779 299 G HN 1.493 nan 8.290 nan 0.000 0.599 300 G N -0.367 108.455 108.800 0.037 0.000 3.445 300 G HA2 0.554 4.515 3.960 0.001 0.000 0.680 300 G HA3 0.554 4.515 3.960 0.001 0.000 0.680 300 G C 0.215 175.141 174.900 0.043 0.000 0.972 300 G CA 0.806 45.929 45.100 0.039 0.000 0.798 300 G HN 2.796 nan 8.290 nan 0.000 0.461 301 A N 1.449 124.296 122.820 0.044 0.000 2.475 301 A HA 1.215 5.535 4.320 0.001 0.000 0.301 301 A C 0.160 177.760 177.584 0.027 0.000 1.059 301 A CA 0.115 52.179 52.037 0.046 0.000 0.710 301 A CB 1.887 20.924 19.000 0.061 0.000 1.288 301 A HN 2.730 nan 8.150 nan 0.000 0.408 302 A N 0.473 123.298 122.820 0.009 0.000 2.594 302 A HA 0.854 5.175 4.320 0.001 0.000 0.295 302 A C -0.577 176.957 177.584 -0.083 0.000 1.071 302 A CA -0.424 51.596 52.037 -0.028 0.000 0.685 302 A CB 1.367 20.342 19.000 -0.041 0.000 1.285 302 A HN 0.958 nan 8.150 nan 0.000 0.405 303 T N 1.510 116.004 114.554 -0.100 0.000 2.807 303 T HA 0.590 4.940 4.350 0.001 0.000 0.279 303 T C -0.748 173.743 174.700 -0.348 0.000 0.993 303 T CA -0.200 61.755 62.100 -0.242 0.000 0.970 303 T CB 1.062 69.830 68.868 -0.167 0.000 0.950 303 T HN 0.626 nan 8.240 nan 0.000 0.441 304 L N 3.383 124.293 121.223 -0.522 0.000 2.334 304 L HA 0.759 5.100 4.340 0.001 0.000 0.276 304 L C -1.561 175.110 176.870 -0.332 0.000 1.014 304 L CA -0.762 53.889 54.840 -0.314 0.000 0.815 304 L CB 0.856 42.757 42.059 -0.264 0.000 1.268 304 L HN 0.550 nan 8.230 nan 0.000 0.428 305 F N 3.847 123.847 119.950 0.084 0.000 2.508 305 F HA 0.613 5.141 4.527 0.001 0.000 0.325 305 F C -0.668 175.268 175.800 0.225 0.000 1.090 305 F CA -0.429 57.622 58.000 0.086 0.000 0.945 305 F CB 1.664 40.707 39.000 0.071 0.000 1.156 305 F HN 0.372 nan 8.300 nan 0.000 0.463 306 Y N 0.607 121.106 120.300 0.332 0.000 2.581 306 Y HA 0.700 5.250 4.550 0.001 0.000 0.337 306 Y C -3.390 172.595 175.900 0.142 0.000 1.108 306 Y CA -3.497 54.743 58.100 0.232 0.000 1.033 306 Y CB 0.846 39.391 38.460 0.142 0.000 1.318 306 Y HN 0.224 nan 8.280 nan 0.000 0.459 307 P HA 0.128 nan 4.420 nan 0.000 0.274 307 P C 0.519 177.671 177.300 -0.247 0.000 1.231 307 P CA -0.377 62.559 63.100 -0.274 0.000 0.790 307 P CB 1.448 32.457 31.700 -1.151 0.000 0.951 308 M N 2.302 121.762 119.600 -0.232 0.000 2.279 308 M HA -0.064 4.416 4.480 0.001 0.000 0.264 308 M C 1.057 177.349 176.300 -0.014 0.000 1.062 308 M CA 1.729 56.981 55.300 -0.081 0.000 1.099 308 M CB -0.233 32.303 32.600 -0.107 0.000 1.394 308 M HN 0.483 nan 8.290 nan 0.000 0.426 309 W N -0.685 120.638 121.300 0.038 0.000 3.256 309 W HA 0.132 4.792 4.660 0.001 0.000 0.269 309 W C 0.318 176.926 176.519 0.149 0.000 1.310 309 W CA -0.454 56.951 57.345 0.099 0.000 1.673 309 W CB -1.453 28.109 29.460 0.171 0.000 1.115 309 W HN 0.081 nan 8.180 nan 0.000 0.686 310 H N 2.365 121.373 119.070 -0.103 0.000 2.972 310 H HA -0.094 4.462 4.556 0.001 0.000 0.343 310 H C 1.049 176.418 175.328 0.068 0.000 1.054 310 H CA 0.789 56.823 56.048 -0.023 0.000 1.412 310 H CB 1.682 31.380 29.762 -0.107 0.000 1.385 310 H HN 0.098 nan 8.280 nan 0.000 0.600 311 L N 4.241 125.438 121.223 -0.043 0.000 2.131 311 L HA -0.126 4.214 4.340 0.001 0.000 0.210 311 L C 1.731 178.670 176.870 0.114 0.000 1.092 311 L CA 1.738 56.595 54.840 0.029 0.000 0.759 311 L CB -0.206 41.821 42.059 -0.054 0.000 0.903 311 L HN 0.698 nan 8.230 nan 0.000 0.435 312 E N -1.486 118.902 120.200 0.314 0.000 2.479 312 E HA -0.049 4.302 4.350 0.001 0.000 0.193 312 E C 2.055 178.616 176.600 -0.065 0.000 1.049 312 E CA 0.286 56.732 56.400 0.077 0.000 0.870 312 E CB 0.213 29.907 29.700 -0.010 0.000 0.944 312 E HN 0.372 nan 8.360 nan 0.000 0.492 313 V N 1.308 121.218 119.914 -0.008 0.000 2.439 313 V HA -0.342 3.778 4.120 0.001 0.000 0.253 313 V C 1.980 178.022 176.094 -0.087 0.000 1.074 313 V CA 2.167 64.421 62.300 -0.076 0.000 1.076 313 V CB -0.085 31.773 31.823 0.059 0.000 0.664 313 V HN 0.262 nan 8.190 nan 0.000 0.461 314 E N -0.423 119.742 120.200 -0.059 0.000 2.072 314 E HA -0.148 4.202 4.350 0.001 0.000 0.191 314 E C 2.288 178.834 176.600 -0.090 0.000 0.985 314 E CA 1.582 57.948 56.400 -0.057 0.000 0.801 314 E CB -0.106 29.570 29.700 -0.039 0.000 0.750 314 E HN 0.725 nan 8.360 nan 0.000 0.452 315 S N 0.280 115.908 115.700 -0.120 0.000 2.436 315 S HA -0.015 4.455 4.470 0.001 0.000 0.228 315 S C 1.906 176.375 174.600 -0.219 0.000 1.014 315 S CA 0.427 58.538 58.200 -0.148 0.000 0.950 315 S CB -0.012 63.100 63.200 -0.147 0.000 0.784 315 S HN 0.194 nan 8.310 nan 0.000 0.504 316 L N 0.755 121.795 121.223 -0.305 0.000 2.072 316 L HA -0.017 4.323 4.340 0.001 0.000 0.205 316 L C 2.061 178.737 176.870 -0.322 0.000 1.079 316 L CA 0.529 55.095 54.840 -0.456 0.000 0.752 316 L CB -0.589 40.941 42.059 -0.881 0.000 0.906 316 L HN 0.254 nan 8.230 nan 0.000 0.436 317 L N 0.131 121.263 121.223 -0.151 0.000 2.129 317 L HA -0.158 4.182 4.340 0.001 0.000 0.212 317 L C 2.251 179.062 176.870 -0.099 0.000 1.087 317 L CA 1.724 56.535 54.840 -0.050 0.000 0.757 317 L CB -0.830 41.220 42.059 -0.014 0.000 0.896 317 L HN 0.281 nan 8.230 nan 0.000 0.434 318 V N -5.202 114.637 119.914 -0.125 0.000 3.542 318 V HA 0.103 4.223 4.120 0.001 0.000 0.296 318 V C 1.975 178.000 176.094 -0.115 0.000 1.364 318 V CA 0.094 62.335 62.300 -0.099 0.000 1.118 318 V CB -0.441 31.338 31.823 -0.074 0.000 0.972 318 V HN 0.237 nan 8.190 nan 0.000 0.430 319 L N 1.258 122.366 121.223 -0.191 0.000 2.189 319 L HA -0.138 4.202 4.340 0.001 0.000 0.214 319 L C 2.634 179.474 176.870 -0.051 0.000 1.097 319 L CA 2.337 57.078 54.840 -0.164 0.000 0.764 319 L CB -0.324 41.544 42.059 -0.317 0.000 0.900 319 L HN 0.574 nan 8.230 nan 0.000 0.436 320 K N -1.058 119.325 120.400 -0.028 0.000 2.355 320 K HA 0.040 4.360 4.320 0.001 0.000 0.198 320 K C 0.610 177.195 176.600 -0.025 0.000 1.039 320 K CA -0.224 56.067 56.287 0.007 0.000 1.075 320 K CB -0.274 32.269 32.500 0.073 0.000 0.870 320 K HN 0.055 nan 8.250 nan 0.000 0.540 321 N N 3.633 122.315 118.700 -0.031 0.000 2.417 321 N HA -0.105 4.636 4.740 0.001 0.000 0.272 321 N C -0.610 174.882 175.510 -0.030 0.000 1.304 321 N CA -0.221 52.811 53.050 -0.029 0.000 0.906 321 N CB 0.232 38.700 38.487 -0.033 0.000 1.135 321 N HN 0.212 nan 8.380 nan 0.000 0.483 322 N N 3.189 121.874 118.700 -0.026 0.000 3.245 322 N HA 0.154 4.894 4.740 0.001 0.000 0.296 322 N C -0.877 174.623 175.510 -0.016 0.000 1.254 322 N CA -0.149 52.887 53.050 -0.023 0.000 1.190 322 N CB 0.219 38.693 38.487 -0.021 0.000 1.460 322 N HN 0.498 nan 8.380 nan 0.000 0.538 323 R N 0.537 121.025 120.500 -0.019 0.000 2.745 323 R HA 0.551 4.892 4.340 0.001 0.000 0.290 323 R C -1.085 175.202 176.300 -0.020 0.000 1.260 323 R CA -0.445 55.645 56.100 -0.017 0.000 1.045 323 R CB 0.917 31.207 30.300 -0.016 0.000 1.257 323 R HN 0.626 nan 8.270 nan 0.000 0.400 324 G N 0.714 109.503 108.800 -0.019 0.000 2.368 324 G HA2 0.053 4.014 3.960 0.001 0.000 0.302 324 G HA3 0.053 4.014 3.960 0.001 0.000 0.302 324 G C -1.615 173.273 174.900 -0.020 0.000 1.329 324 G CA -0.811 44.275 45.100 -0.022 0.000 0.935 324 G HN 0.294 nan 8.290 nan 0.000 0.590 325 V N 0.468 120.368 119.914 -0.024 0.000 2.740 325 V HA 0.261 4.381 4.120 0.001 0.000 0.303 325 V C 1.873 177.954 176.094 -0.021 0.000 1.054 325 V CA 1.137 63.424 62.300 -0.022 0.000 1.106 325 V CB 1.541 33.349 31.823 -0.025 0.000 0.957 325 V HN 0.973 nan 8.190 nan 0.000 0.486 326 E N 3.765 123.956 120.200 -0.014 0.000 2.160 326 E HA -0.113 4.238 4.350 0.001 0.000 0.195 326 E C 1.885 178.478 176.600 -0.012 0.000 0.991 326 E CA 1.594 57.990 56.400 -0.007 0.000 0.810 326 E CB -0.384 29.316 29.700 -0.001 0.000 0.742 326 E HN 0.862 nan 8.360 nan 0.000 0.466 327 G N -0.795 107.990 108.800 -0.025 0.000 2.920 327 G HA2 -0.118 3.842 3.960 0.001 0.000 0.208 327 G HA3 -0.118 3.842 3.960 0.001 0.000 0.208 327 G C 0.504 175.374 174.900 -0.050 0.000 1.159 327 G CA 0.320 45.397 45.100 -0.038 0.000 0.784 327 G HN 0.348 nan 8.290 nan 0.000 0.535 328 N N -0.444 118.228 118.700 -0.046 0.000 2.204 328 N HA 0.203 4.944 4.740 0.001 0.000 0.219 328 N C -0.036 175.443 175.510 -0.051 0.000 1.151 328 N CA -0.381 52.632 53.050 -0.061 0.000 0.867 328 N CB 0.790 39.239 38.487 -0.064 0.000 1.043 328 N HN -0.118 nan 8.380 nan 0.000 0.516 329 R N 1.111 121.597 120.500 -0.024 0.000 2.437 329 R HA 0.430 4.770 4.340 0.001 0.000 0.310 329 R C -1.151 175.172 176.300 0.038 0.000 0.955 329 R CA -0.681 55.416 56.100 -0.006 0.000 0.851 329 R CB 1.862 32.157 30.300 -0.008 0.000 1.161 329 R HN -0.136 nan 8.270 nan 0.000 0.446 330 V N 4.939 124.899 119.914 0.076 0.000 2.383 330 V HA 0.333 4.453 4.120 0.001 0.000 0.264 330 V C 1.115 177.314 176.094 0.176 0.000 1.001 330 V CA -0.486 61.914 62.300 0.167 0.000 0.828 330 V CB 1.106 33.101 31.823 0.287 0.000 1.069 330 V HN 0.656 nan 8.190 nan 0.000 0.451 331 R N 0.267 120.782 120.500 0.024 0.000 2.200 331 R HA 0.133 4.473 4.340 0.001 0.000 0.208 331 R C 0.731 176.904 176.300 -0.212 0.000 1.033 331 R CA 0.552 56.571 56.100 -0.134 0.000 1.000 331 R CB 0.199 30.297 30.300 -0.336 0.000 0.906 331 R HN 0.676 nan 8.270 nan 0.000 0.462 332 H N -0.260 118.873 119.070 0.106 0.000 2.577 332 H HA 0.319 4.875 4.556 0.001 0.000 0.306 332 H C 0.055 175.401 175.328 0.030 0.000 1.109 332 H CA 0.244 56.332 56.048 0.066 0.000 1.063 332 H CB 0.089 29.886 29.762 0.058 0.000 1.535 332 H HN 0.044 nan 8.280 nan 0.000 0.532 333 M N 0.315 119.941 119.600 0.043 0.000 2.593 333 M HA 0.234 4.714 4.480 0.001 0.000 0.290 333 M C -0.755 175.354 176.300 -0.318 0.000 1.244 333 M CA -0.866 54.342 55.300 -0.154 0.000 0.857 333 M CB 2.730 35.160 32.600 -0.283 0.000 1.738 333 M HN -0.034 nan 8.290 nan 0.000 0.461 334 D N 0.220 120.413 120.400 -0.344 0.000 2.388 334 D HA 0.553 5.193 4.640 0.001 0.000 0.254 334 D C -1.476 174.397 176.300 -0.711 0.000 1.111 334 D CA 0.267 54.071 54.000 -0.327 0.000 0.993 334 D CB 0.988 41.790 40.800 0.003 0.000 1.118 334 D HN 0.301 nan 8.370 nan 0.000 0.502 335 Y N -1.303 118.872 120.300 -0.208 0.000 2.492 335 Y HA 0.539 5.089 4.550 0.001 0.000 0.346 335 Y C 0.564 176.277 175.900 -0.312 0.000 0.997 335 Y CA -1.106 56.860 58.100 -0.224 0.000 1.025 335 Y CB 2.571 41.018 38.460 -0.020 0.000 1.263 335 Y HN 0.345 nan 8.280 nan 0.000 0.454 336 G N 1.607 110.190 108.800 -0.361 0.000 2.675 336 G HA2 0.535 4.495 3.960 0.001 0.000 0.297 336 G HA3 0.535 4.495 3.960 0.001 0.000 0.297 336 G C -1.511 173.242 174.900 -0.245 0.000 1.399 336 G CA -0.623 44.335 45.100 -0.237 0.000 0.981 336 G HN 0.441 nan 8.290 nan 0.000 0.519 337 V N 2.623 122.410 119.914 -0.211 0.000 2.530 337 V HA 0.239 4.359 4.120 0.001 0.000 0.282 337 V C 0.242 176.318 176.094 -0.030 0.000 1.048 337 V CA -0.334 61.784 62.300 -0.303 0.000 0.997 337 V CB 1.176 32.881 31.823 -0.197 0.000 0.987 337 V HN 0.726 nan 8.190 nan 0.000 0.477 338 Q N 4.780 124.588 119.800 0.013 0.000 2.290 338 Q HA 0.692 5.032 4.340 0.001 0.000 0.259 338 Q C -0.964 175.153 176.000 0.195 0.000 0.941 338 Q CA -0.208 55.693 55.803 0.163 0.000 0.912 338 Q CB 1.962 30.884 28.738 0.307 0.000 1.244 338 Q HN 0.655 nan 8.270 nan 0.000 0.441 339 I N 1.887 122.527 120.570 0.117 0.000 2.730 339 I HA 0.461 4.632 4.170 0.001 0.000 0.298 339 I C -0.478 175.627 176.117 -0.020 0.000 1.089 339 I CA -1.102 60.227 61.300 0.048 0.000 1.041 339 I CB 1.956 39.865 38.000 -0.152 0.000 1.235 339 I HN 0.642 nan 8.210 nan 0.000 0.423 340 N N 3.296 121.972 118.700 -0.039 0.000 3.038 340 N HA 0.345 5.085 4.740 0.001 0.000 0.307 340 N C 0.177 175.709 175.510 0.037 0.000 1.441 340 N CA -1.014 51.993 53.050 -0.072 0.000 0.772 340 N CB 1.119 39.396 38.487 -0.350 0.000 1.651 340 N HN 0.533 nan 8.380 nan 0.000 0.593 341 K N -0.940 119.498 120.400 0.064 0.000 2.044 341 K HA -0.134 4.186 4.320 0.001 0.000 0.210 341 K C 1.641 178.280 176.600 0.064 0.000 1.049 341 K CA 1.342 57.659 56.287 0.050 0.000 0.927 341 K CB -0.307 32.263 32.500 0.116 0.000 0.713 341 K HN 0.427 nan 8.250 nan 0.000 0.443 342 L N 1.300 122.571 121.223 0.079 0.000 2.013 342 L HA -0.237 4.104 4.340 0.001 0.000 0.212 342 L C 2.114 179.041 176.870 0.095 0.000 1.073 342 L CA 1.799 56.701 54.840 0.103 0.000 0.753 342 L CB -0.539 41.618 42.059 0.164 0.000 0.890 342 L HN 0.280 nan 8.230 nan 0.000 0.432 343 M N -1.613 118.033 119.600 0.076 0.000 2.080 343 M HA -0.262 4.218 4.480 0.001 0.000 0.260 343 M C 2.443 178.834 176.300 0.150 0.000 1.068 343 M CA 1.857 57.219 55.300 0.105 0.000 1.109 343 M CB -1.502 31.107 32.600 0.016 0.000 1.342 343 M HN 0.260 nan 8.290 nan 0.000 0.405 344 Y N 0.806 121.152 120.300 0.077 0.000 2.224 344 Y HA -0.135 4.415 4.550 0.001 0.000 0.289 344 Y C 2.751 178.564 175.900 -0.145 0.000 1.146 344 Y CA 1.598 59.616 58.100 -0.138 0.000 1.182 344 Y CB -1.373 36.878 38.460 -0.348 0.000 0.983 344 Y HN 0.299 nan 8.280 nan 0.000 0.524 345 T N -0.036 114.567 114.554 0.081 0.000 2.746 345 T HA -0.138 4.212 4.350 0.001 0.000 0.267 345 T C 1.984 176.713 174.700 0.048 0.000 1.039 345 T CA 1.072 63.199 62.100 0.045 0.000 1.142 345 T CB -0.083 68.817 68.868 0.053 0.000 0.866 345 T HN 0.189 nan 8.240 nan 0.000 0.444 346 R N 0.766 121.317 120.500 0.085 0.000 2.120 346 R HA 0.045 4.386 4.340 0.001 0.000 0.234 346 R C 2.315 178.655 176.300 0.068 0.000 1.123 346 R CA 0.665 56.826 56.100 0.100 0.000 0.975 346 R CB -1.137 29.259 30.300 0.159 0.000 0.866 346 R HN 0.328 nan 8.270 nan 0.000 0.446 347 L N 1.021 122.251 121.223 0.011 0.000 2.005 347 L HA -0.090 4.250 4.340 0.001 0.000 0.207 347 L C 2.179 178.998 176.870 -0.084 0.000 1.072 347 L CA 1.593 56.361 54.840 -0.121 0.000 0.744 347 L CB -0.645 41.093 42.059 -0.536 0.000 0.895 347 L HN 0.053 nan 8.230 nan 0.000 0.433 348 L N -0.718 120.463 121.223 -0.071 0.000 2.083 348 L HA -0.221 4.120 4.340 0.001 0.000 0.209 348 L C 2.208 179.067 176.870 -0.019 0.000 1.083 348 L CA 1.456 56.268 54.840 -0.048 0.000 0.752 348 L CB -0.492 41.543 42.059 -0.041 0.000 0.899 348 L HN 0.240 nan 8.230 nan 0.000 0.433 349 K N -0.107 120.292 120.400 -0.001 0.000 2.444 349 K HA 0.134 4.454 4.320 0.001 0.000 0.193 349 K C 0.967 177.577 176.600 0.016 0.000 1.024 349 K CA 0.463 56.757 56.287 0.011 0.000 1.077 349 K CB 0.250 32.763 32.500 0.022 0.000 0.833 349 K HN 0.337 nan 8.250 nan 0.000 0.517 350 G N 2.061 110.870 108.800 0.015 0.000 2.305 350 G HA2 -0.298 3.662 3.960 0.001 0.000 0.287 350 G HA3 -0.298 3.662 3.960 0.001 0.000 0.287 350 G C -0.293 174.628 174.900 0.036 0.000 1.036 350 G CA 0.539 45.653 45.100 0.023 0.000 0.887 350 G HN 0.397 nan 8.290 nan 0.000 0.505 351 E N -0.704 119.526 120.200 0.049 0.000 2.803 351 E HA 0.532 4.882 4.350 0.001 0.000 0.250 351 E C -0.313 176.332 176.600 0.074 0.000 1.102 351 E CA -0.948 55.486 56.400 0.057 0.000 1.017 351 E CB 0.652 30.388 29.700 0.061 0.000 1.346 351 E HN 0.175 nan 8.360 nan 0.000 0.532 352 D N 0.027 120.471 120.400 0.074 0.000 2.294 352 D HA 0.393 5.033 4.640 0.001 0.000 0.250 352 D C -0.672 175.703 176.300 0.126 0.000 1.058 352 D CA -0.161 53.887 54.000 0.080 0.000 0.950 352 D CB 0.924 41.751 40.800 0.044 0.000 1.158 352 D HN 0.184 nan 8.370 nan 0.000 0.453 353 I N 0.801 121.450 120.570 0.131 0.000 2.406 353 I HA 0.182 4.353 4.170 0.001 0.000 0.290 353 I C -0.023 176.167 176.117 0.123 0.000 0.999 353 I CA -0.463 60.954 61.300 0.195 0.000 1.124 353 I CB 1.847 39.966 38.000 0.198 0.000 1.289 353 I HN 0.043 nan 8.210 nan 0.000 0.441 354 T N 7.059 121.690 114.554 0.130 0.000 2.806 354 T HA 0.529 4.880 4.350 0.001 0.000 0.290 354 T C -0.096 174.493 174.700 -0.185 0.000 0.966 354 T CA -0.439 61.560 62.100 -0.169 0.000 1.060 354 T CB 0.725 69.336 68.868 -0.429 0.000 0.927 354 T HN 0.260 nan 8.240 nan 0.000 0.485 355 L N 3.631 124.658 121.223 -0.327 0.000 2.309 355 L HA 0.657 4.997 4.340 0.001 0.000 0.282 355 L C -0.841 175.774 176.870 -0.426 0.000 1.036 355 L CA -0.770 53.990 54.840 -0.135 0.000 0.806 355 L CB 0.762 42.804 42.059 -0.028 0.000 1.220 355 L HN 0.557 nan 8.230 nan 0.000 0.429 356 F N -0.186 119.896 119.950 0.219 0.000 2.603 356 F HA 0.354 4.882 4.527 0.001 0.000 0.317 356 F C 0.413 176.244 175.800 0.051 0.000 1.066 356 F CA -0.814 57.243 58.000 0.095 0.000 0.941 356 F CB 2.106 41.124 39.000 0.029 0.000 1.291 356 F HN 0.314 nan 8.300 nan 0.000 0.472 357 S N 3.588 119.367 115.700 0.132 0.000 2.474 357 S HA 0.247 4.718 4.470 0.001 0.000 0.276 357 S C -1.518 173.128 174.600 0.077 0.000 1.227 357 S CA -1.474 56.692 58.200 -0.056 0.000 1.050 357 S CB 0.785 63.949 63.200 -0.061 0.000 0.939 357 S HN 0.372 nan 8.310 nan 0.000 0.490 358 P HA -0.179 nan 4.420 nan 0.000 0.217 358 P C 1.532 178.861 177.300 0.048 0.000 1.148 358 P CA 1.554 64.787 63.100 0.222 0.000 0.834 358 P CB -0.353 31.442 31.700 0.157 0.000 0.783 359 S N -1.202 114.483 115.700 -0.026 0.000 2.469 359 S HA -0.140 4.330 4.470 0.001 0.000 0.238 359 S C 1.378 175.924 174.600 -0.090 0.000 0.998 359 S CA 1.262 59.418 58.200 -0.075 0.000 0.957 359 S CB -0.880 62.259 63.200 -0.103 0.000 0.764 359 S HN 0.092 nan 8.310 nan 0.000 0.514 360 D N 1.076 121.419 120.400 -0.095 0.000 2.360 360 D HA 0.139 4.779 4.640 0.001 0.000 0.210 360 D C 0.423 176.515 176.300 -0.347 0.000 1.047 360 D CA 0.409 54.315 54.000 -0.156 0.000 0.854 360 D CB 0.935 41.685 40.800 -0.084 0.000 0.936 360 D HN 0.520 nan 8.370 nan 0.000 0.514 361 V N -0.372 119.313 119.914 -0.383 0.000 2.260 361 V HA 0.388 4.509 4.120 0.001 0.000 0.263 361 V C -2.791 173.088 176.094 -0.358 0.000 1.036 361 V CA -2.108 59.744 62.300 -0.747 0.000 0.874 361 V CB 0.750 32.066 31.823 -0.846 0.000 1.116 361 V HN -0.224 nan 8.190 nan 0.000 0.454 362 P HA 0.179 nan 4.420 nan 0.000 0.261 362 P C 1.264 178.632 177.300 0.114 0.000 1.183 362 P CA 1.969 65.060 63.100 -0.015 0.000 0.761 362 P CB 0.841 32.543 31.700 0.003 0.000 0.785 363 G N 2.936 111.819 108.800 0.138 0.000 2.253 363 G HA2 -0.312 3.649 3.960 0.001 0.000 0.251 363 G HA3 -0.312 3.649 3.960 0.001 0.000 0.251 363 G C 0.788 175.822 174.900 0.224 0.000 0.998 363 G CA 0.171 45.376 45.100 0.175 0.000 0.621 363 G HN 0.540 nan 8.290 nan 0.000 0.524 364 L N -0.385 120.967 121.223 0.214 0.000 2.093 364 L HA 0.065 4.405 4.340 0.001 0.000 0.208 364 L C 2.316 179.420 176.870 0.390 0.000 1.085 364 L CA 2.837 57.782 54.840 0.175 0.000 0.755 364 L CB -0.669 41.342 42.059 -0.080 0.000 0.904 364 L HN 0.478 nan 8.230 nan 0.000 0.435 365 Y N 1.186 121.715 120.300 0.381 0.000 2.163 365 Y HA -0.262 4.288 4.550 0.001 0.000 0.288 365 Y C 2.351 178.611 175.900 0.600 0.000 1.136 365 Y CA 2.018 60.475 58.100 0.596 0.000 1.147 365 Y CB -0.103 38.675 38.460 0.531 0.000 0.987 365 Y HN 0.270 nan 8.280 nan 0.000 0.509 366 D N 0.040 120.750 120.400 0.517 0.000 2.097 366 D HA -0.178 4.463 4.640 0.001 0.000 0.195 366 D C 2.270 178.758 176.300 0.315 0.000 0.989 366 D CA 1.557 55.795 54.000 0.397 0.000 0.827 366 D CB -0.698 40.278 40.800 0.294 0.000 0.966 366 D HN 0.456 nan 8.370 nan 0.000 0.456 367 A N 0.343 123.343 122.820 0.300 0.000 1.972 367 A HA -0.168 4.152 4.320 0.001 0.000 0.219 367 A C 2.005 179.730 177.584 0.235 0.000 1.169 367 A CA 0.747 52.945 52.037 0.268 0.000 0.635 367 A CB -0.927 18.248 19.000 0.293 0.000 0.810 367 A HN 0.218 nan 8.150 nan 0.000 0.446 368 F N -0.227 119.730 119.950 0.013 0.000 2.161 368 F HA -0.151 4.376 4.527 0.001 0.000 0.300 368 F C 1.574 176.992 175.800 -0.637 0.000 1.089 368 F CA 1.449 59.131 58.000 -0.530 0.000 1.282 368 F CB -0.320 38.376 39.000 -0.508 0.000 1.010 368 F HN 0.247 nan 8.300 nan 0.000 0.485 369 F N -0.904 118.931 119.950 -0.190 0.000 2.383 369 F HA 0.270 4.798 4.527 0.001 0.000 0.287 369 F C 2.364 178.076 175.800 -0.147 0.000 1.069 369 F CA 0.836 58.679 58.000 -0.261 0.000 1.402 369 F CB -1.152 37.732 39.000 -0.193 0.000 1.116 369 F HN -0.063 nan 8.300 nan 0.000 0.549 370 A N -1.853 121.036 122.820 0.116 0.000 2.063 370 A HA 0.107 4.427 4.320 0.001 0.000 0.211 370 A C -0.058 177.557 177.584 0.053 0.000 1.177 370 A CA 0.841 52.929 52.037 0.085 0.000 0.759 370 A CB 0.085 19.146 19.000 0.103 0.000 0.857 370 A HN 0.178 nan 8.150 nan 0.000 0.468 371 D N -1.151 119.282 120.400 0.056 0.000 2.365 371 D HA 0.227 4.867 4.640 0.001 0.000 0.235 371 D C 0.308 176.659 176.300 0.084 0.000 1.368 371 D CA -0.294 53.743 54.000 0.062 0.000 1.001 371 D CB 0.932 41.777 40.800 0.075 0.000 1.364 371 D HN -0.058 nan 8.370 nan 0.000 0.577 372 Q N 1.541 121.373 119.800 0.054 0.000 2.119 372 Q HA -0.105 4.236 4.340 0.001 0.000 0.201 372 Q C 1.624 177.710 176.000 0.144 0.000 0.972 372 Q CA 1.115 56.966 55.803 0.079 0.000 0.847 372 Q CB 0.222 28.979 28.738 0.032 0.000 0.903 372 Q HN 0.713 nan 8.270 nan 0.000 0.433 373 E N 0.533 120.789 120.200 0.093 0.000 2.107 373 E HA -0.192 4.158 4.350 0.001 0.000 0.191 373 E C 1.711 178.353 176.600 0.070 0.000 0.982 373 E CA 1.126 57.571 56.400 0.075 0.000 0.809 373 E CB -0.191 29.535 29.700 0.043 0.000 0.756 373 E HN 0.238 nan 8.360 nan 0.000 0.459 374 E N 1.011 121.256 120.200 0.076 0.000 2.110 374 E HA -0.182 4.169 4.350 0.001 0.000 0.193 374 E C 1.835 178.479 176.600 0.073 0.000 0.988 374 E CA 0.935 57.369 56.400 0.057 0.000 0.804 374 E CB -0.568 29.171 29.700 0.065 0.000 0.745 374 E HN 0.305 nan 8.360 nan 0.000 0.458 375 F N 1.438 121.389 119.950 0.000 0.000 2.069 375 F HA -0.181 4.346 4.527 0.001 0.000 0.298 375 F C 2.273 178.069 175.800 -0.006 0.000 1.113 375 F CA 2.343 60.342 58.000 -0.001 0.000 1.214 375 F CB -0.526 38.485 39.000 0.018 0.000 0.978 375 F HN 0.164 nan 8.300 nan 0.000 0.474 376 E N 0.180 120.417 120.200 0.061 0.000 2.058 376 E HA -0.306 4.044 4.350 0.001 0.000 0.194 376 E C 2.556 179.099 176.600 -0.095 0.000 0.997 376 E CA 1.608 57.997 56.400 -0.018 0.000 0.801 376 E CB -0.391 29.354 29.700 0.075 0.000 0.746 376 E HN 0.403 nan 8.360 nan 0.000 0.450 377 R N 0.127 120.575 120.500 -0.086 0.000 2.096 377 R HA -0.174 4.166 4.340 0.001 0.000 0.240 377 R C 2.493 178.641 176.300 -0.255 0.000 1.139 377 R CA 1.752 57.773 56.100 -0.131 0.000 0.952 377 R CB -0.307 29.936 30.300 -0.095 0.000 0.854 377 R HN 0.294 nan 8.270 nan 0.000 0.436 378 L N -0.779 120.255 121.223 -0.315 0.000 2.072 378 L HA -0.171 4.169 4.340 0.001 0.000 0.205 378 L C 2.361 178.842 176.870 -0.649 0.000 1.079 378 L CA 1.039 55.547 54.840 -0.553 0.000 0.752 378 L CB -0.564 41.272 42.059 -0.373 0.000 0.906 378 L HN 0.246 nan 8.230 nan 0.000 0.436 379 Y N 1.306 121.208 120.300 -0.664 0.000 2.089 379 Y HA -0.319 4.231 4.550 0.001 0.000 0.282 379 Y C 3.010 178.716 175.900 -0.325 0.000 1.139 379 Y CA 2.279 60.010 58.100 -0.615 0.000 1.123 379 Y CB -0.608 37.339 38.460 -0.856 0.000 0.980 379 Y HN 0.295 nan 8.280 nan 0.000 0.493 380 T N -1.511 112.937 114.554 -0.178 0.000 2.788 380 T HA -0.244 4.106 4.350 0.001 0.000 0.268 380 T C 1.919 176.501 174.700 -0.197 0.000 1.044 380 T CA 1.664 63.675 62.100 -0.148 0.000 1.139 380 T CB -0.504 68.327 68.868 -0.060 0.000 0.867 380 T HN 0.377 nan 8.240 nan 0.000 0.454 381 K N 0.143 120.369 120.400 -0.290 0.000 2.002 381 K HA -0.162 4.159 4.320 0.001 0.000 0.209 381 K C 2.052 178.494 176.600 -0.263 0.000 1.048 381 K CA 1.512 57.607 56.287 -0.320 0.000 0.930 381 K CB -0.463 31.757 32.500 -0.467 0.000 0.714 381 K HN 0.373 nan 8.250 nan 0.000 0.438 382 Y N 1.615 121.755 120.300 -0.267 0.000 2.352 382 Y HA -0.063 4.487 4.550 0.001 0.000 0.292 382 Y C 2.018 177.864 175.900 -0.091 0.000 1.136 382 Y CA 0.977 58.903 58.100 -0.290 0.000 1.227 382 Y CB -0.371 37.688 38.460 -0.669 0.000 0.991 382 Y HN 0.269 nan 8.280 nan 0.000 0.545 383 E N 0.114 120.329 120.200 0.025 0.000 2.077 383 E HA -0.233 4.117 4.350 0.001 0.000 0.193 383 E C 1.993 178.595 176.600 0.003 0.000 0.989 383 E CA 1.368 57.781 56.400 0.021 0.000 0.800 383 E CB -0.068 29.550 29.700 -0.137 0.000 0.746 383 E HN 0.300 nan 8.360 nan 0.000 0.452 384 K N 0.970 121.356 120.400 -0.024 0.000 2.057 384 K HA -0.091 4.229 4.320 0.001 0.000 0.206 384 K C 0.575 177.177 176.600 0.003 0.000 1.050 384 K CA 0.664 56.939 56.287 -0.020 0.000 0.935 384 K CB -0.033 32.444 32.500 -0.038 0.000 0.715 384 K HN -0.017 nan 8.250 nan 0.000 0.439 385 D N 0.837 121.253 120.400 0.027 0.000 2.382 385 D HA -0.060 4.580 4.640 0.001 0.000 0.259 385 D C 0.001 176.324 176.300 0.038 0.000 1.224 385 D CA 0.214 54.238 54.000 0.038 0.000 0.894 385 D CB 0.728 41.572 40.800 0.074 0.000 1.127 385 D HN 0.034 nan 8.370 nan 0.000 0.487 386 D N 1.652 122.062 120.400 0.017 0.000 2.224 386 D HA -0.142 4.498 4.640 0.001 0.000 0.205 386 D C 1.904 178.209 176.300 0.008 0.000 0.965 386 D CA 0.926 54.931 54.000 0.009 0.000 0.852 386 D CB -0.041 40.759 40.800 -0.000 0.000 0.947 386 D HN 0.512 nan 8.370 nan 0.000 0.494 387 S N 0.119 115.825 115.700 0.009 0.000 2.453 387 S HA -0.058 4.413 4.470 0.001 0.000 0.231 387 S C 1.073 175.673 174.600 0.000 0.000 1.005 387 S CA 0.051 58.252 58.200 0.002 0.000 0.949 387 S CB -0.091 63.108 63.200 -0.001 0.000 0.774 387 S HN 0.025 nan 8.310 nan 0.000 0.510 388 I N 3.125 123.704 120.570 0.015 0.000 2.533 388 I HA 0.244 4.414 4.170 0.001 0.000 0.284 388 I C 0.836 176.981 176.117 0.047 0.000 1.109 388 I CA -0.145 61.167 61.300 0.021 0.000 1.412 388 I CB 0.130 38.154 38.000 0.040 0.000 1.396 388 I HN 0.316 nan 8.210 nan 0.000 0.543 389 R N 7.548 128.066 120.500 0.029 0.000 2.537 389 R HA 0.265 4.605 4.340 0.001 0.000 0.280 389 R C -0.365 175.942 176.300 0.011 0.000 1.058 389 R CA 0.124 56.228 56.100 0.008 0.000 1.057 389 R CB 0.556 30.849 30.300 -0.011 0.000 0.973 389 R HN 0.861 nan 8.270 nan 0.000 0.438 390 K N 2.038 122.385 120.400 -0.089 0.000 2.615 390 K HA 0.257 4.577 4.320 0.001 0.000 0.291 390 K C -1.768 174.705 176.600 -0.212 0.000 1.017 390 K CA -1.116 55.010 56.287 -0.269 0.000 0.882 390 K CB 1.504 33.740 32.500 -0.441 0.000 1.522 390 K HN 0.497 nan 8.250 nan 0.000 0.412 391 Q N 1.148 120.792 119.800 -0.260 0.000 2.309 391 Q HA 0.345 4.686 4.340 0.001 0.000 0.273 391 Q C -1.523 174.379 176.000 -0.163 0.000 1.040 391 Q CA -0.776 54.930 55.803 -0.162 0.000 0.834 391 Q CB 2.544 31.220 28.738 -0.104 0.000 1.345 391 Q HN 0.619 nan 8.270 nan 0.000 0.414 392 R N 0.786 121.219 120.500 -0.112 0.000 2.404 392 R HA 0.584 4.924 4.340 0.001 0.000 0.291 392 R C -0.362 175.917 176.300 -0.037 0.000 1.025 392 R CA -0.307 55.747 56.100 -0.076 0.000 0.991 392 R CB 1.374 31.639 30.300 -0.059 0.000 1.053 392 R HN 0.444 nan 8.270 nan 0.000 0.479 393 V N -0.838 119.071 119.914 -0.009 0.000 3.078 393 V HA 0.561 4.681 4.120 0.001 0.000 0.311 393 V C -0.774 175.343 176.094 0.038 0.000 1.138 393 V CA -1.367 60.940 62.300 0.012 0.000 1.007 393 V CB 2.108 33.939 31.823 0.013 0.000 1.045 393 V HN 0.456 nan 8.190 nan 0.000 0.432 394 K N 1.931 122.356 120.400 0.042 0.000 2.368 394 K HA 0.653 4.973 4.320 0.001 0.000 0.282 394 K C 1.143 177.801 176.600 0.098 0.000 1.035 394 K CA 0.732 57.056 56.287 0.060 0.000 0.973 394 K CB 1.134 33.663 32.500 0.048 0.000 0.957 394 K HN 0.975 nan 8.250 nan 0.000 0.474 395 A N 3.586 126.485 122.820 0.132 0.000 1.940 395 A HA -0.145 4.176 4.320 0.001 0.000 0.219 395 A C 1.767 179.531 177.584 0.300 0.000 1.176 395 A CA 1.965 54.142 52.037 0.232 0.000 0.631 395 A CB -0.560 18.580 19.000 0.233 0.000 0.814 395 A HN 0.547 nan 8.150 nan 0.000 0.446 396 V N -0.073 119.944 119.914 0.172 0.000 2.515 396 V HA -0.252 3.869 4.120 0.001 0.000 0.250 396 V C 2.269 178.451 176.094 0.147 0.000 1.058 396 V CA 2.160 64.546 62.300 0.143 0.000 1.064 396 V CB -0.927 30.938 31.823 0.070 0.000 0.675 396 V HN 0.630 nan 8.190 nan 0.000 0.461 397 E N -0.050 120.217 120.200 0.111 0.000 2.072 397 E HA -0.163 4.188 4.350 0.001 0.000 0.190 397 E C 2.119 178.764 176.600 0.075 0.000 0.982 397 E CA 0.962 57.408 56.400 0.076 0.000 0.803 397 E CB -0.163 29.566 29.700 0.048 0.000 0.755 397 E HN 0.401 nan 8.360 nan 0.000 0.453 398 L N 0.129 121.401 121.223 0.081 0.000 2.027 398 L HA -0.117 4.223 4.340 0.001 0.000 0.206 398 L C 1.904 178.762 176.870 -0.020 0.000 1.074 398 L CA 1.626 56.472 54.840 0.010 0.000 0.745 398 L CB -0.407 41.635 42.059 -0.028 0.000 0.898 398 L HN 0.029 nan 8.230 nan 0.000 0.433 399 F N -0.817 119.146 119.950 0.023 0.000 2.171 399 F HA -0.173 4.354 4.527 0.001 0.000 0.300 399 F C 2.597 178.412 175.800 0.025 0.000 1.090 399 F CA 1.549 59.564 58.000 0.025 0.000 1.293 399 F CB -0.597 38.421 39.000 0.030 0.000 1.013 399 F HN 0.029 nan 8.300 nan 0.000 0.486 400 S N 0.074 115.890 115.700 0.193 0.000 2.368 400 S HA -0.151 4.319 4.470 0.001 0.000 0.224 400 S C 1.948 176.583 174.600 0.059 0.000 1.029 400 S CA 0.910 59.172 58.200 0.104 0.000 0.988 400 S CB -0.508 62.735 63.200 0.071 0.000 0.838 400 S HN 0.239 nan 8.310 nan 0.000 0.462 401 L N 1.831 123.079 121.223 0.042 0.000 2.017 401 L HA 0.024 4.364 4.340 0.001 0.000 0.208 401 L C 2.246 179.122 176.870 0.010 0.000 1.073 401 L CA 1.779 56.627 54.840 0.014 0.000 0.745 401 L CB -0.657 41.403 42.059 0.001 0.000 0.894 401 L HN 0.341 nan 8.230 nan 0.000 0.432 402 M N -1.622 117.982 119.600 0.007 0.000 2.080 402 M HA -0.275 4.205 4.480 0.001 0.000 0.260 402 M C 2.026 178.349 176.300 0.037 0.000 1.068 402 M CA 2.032 57.336 55.300 0.007 0.000 1.109 402 M CB -0.050 32.529 32.600 -0.035 0.000 1.342 402 M HN 0.282 nan 8.290 nan 0.000 0.405 403 M N -0.088 119.552 119.600 0.066 0.000 2.175 403 M HA -0.182 4.299 4.480 0.001 0.000 0.264 403 M C 2.177 178.490 176.300 0.022 0.000 1.063 403 M CA 1.641 56.981 55.300 0.066 0.000 1.119 403 M CB -1.709 30.944 32.600 0.089 0.000 1.377 403 M HN 0.526 nan 8.290 nan 0.000 0.415 404 Q N 0.600 120.406 119.800 0.011 0.000 2.061 404 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 404 Q C 1.647 177.644 176.000 -0.006 0.000 0.984 404 Q CA 1.525 57.323 55.803 -0.008 0.000 0.846 404 Q CB 0.071 28.805 28.738 -0.008 0.000 0.902 404 Q HN 0.388 nan 8.270 nan 0.000 0.421 405 E N 0.689 120.889 120.200 -0.001 0.000 2.051 405 E HA -0.202 4.148 4.350 0.001 0.000 0.192 405 E C 2.015 178.617 176.600 0.003 0.000 0.991 405 E CA 1.123 57.520 56.400 -0.004 0.000 0.799 405 E CB -0.399 29.295 29.700 -0.010 0.000 0.748 405 E HN 0.403 nan 8.360 nan 0.000 0.449 406 R N 0.774 121.283 120.500 0.016 0.000 2.096 406 R HA -0.154 4.187 4.340 0.001 0.000 0.240 406 R C 2.207 178.535 176.300 0.046 0.000 1.139 406 R CA 1.722 57.843 56.100 0.035 0.000 0.952 406 R CB -0.239 30.105 30.300 0.074 0.000 0.854 406 R HN 0.143 nan 8.270 nan 0.000 0.436 407 A N 0.159 122.995 122.820 0.026 0.000 1.933 407 A HA -0.169 4.151 4.320 0.001 0.000 0.218 407 A C 2.191 179.785 177.584 0.018 0.000 1.175 407 A CA 1.914 53.959 52.037 0.014 0.000 0.628 407 A CB -0.655 18.318 19.000 -0.045 0.000 0.814 407 A HN 0.603 nan 8.150 nan 0.000 0.444 408 S N -0.675 115.028 115.700 0.005 0.000 2.414 408 S HA -0.108 4.362 4.470 0.001 0.000 0.227 408 S C 1.903 176.507 174.600 0.007 0.000 1.022 408 S CA 1.926 60.127 58.200 0.002 0.000 0.958 408 S CB -0.667 62.529 63.200 -0.007 0.000 0.797 408 S HN 0.760 nan 8.310 nan 0.000 0.493 409 T N -3.806 110.753 114.554 0.008 0.000 3.034 409 T HA 0.478 4.829 4.350 0.001 0.000 0.248 409 T C 1.813 176.523 174.700 0.016 0.000 1.040 409 T CA 1.024 63.127 62.100 0.006 0.000 1.107 409 T CB -0.379 68.488 68.868 -0.003 0.000 0.932 409 T HN 1.222 nan 8.240 nan 0.000 0.474 410 G N 2.300 111.124 108.800 0.040 0.000 2.205 410 G HA2 -0.245 3.716 3.960 0.001 0.000 0.261 410 G HA3 -0.245 3.716 3.960 0.001 0.000 0.261 410 G C 0.821 175.792 174.900 0.117 0.000 0.980 410 G CA 0.221 45.377 45.100 0.094 0.000 0.632 410 G HN 0.583 nan 8.290 nan 0.000 0.533 411 R N -0.154 120.320 120.500 -0.045 0.000 2.662 411 R HA 0.386 4.726 4.340 0.001 0.000 0.396 411 R C 0.110 176.023 176.300 -0.646 0.000 1.096 411 R CA -0.258 55.638 56.100 -0.340 0.000 1.081 411 R CB 0.445 30.680 30.300 -0.108 0.000 1.382 411 R HN 0.370 nan 8.270 nan 0.000 0.580 412 I N 2.112 122.459 120.570 -0.371 0.000 2.312 412 I HA 0.289 4.460 4.170 0.001 0.000 0.290 412 I C -0.209 175.794 176.117 -0.189 0.000 1.008 412 I CA -1.263 59.879 61.300 -0.263 0.000 1.226 412 I CB 0.185 38.151 38.000 -0.057 0.000 1.371 412 I HN -0.051 nan 8.210 nan 0.000 0.468 413 Y N 6.189 126.530 120.300 0.067 0.000 2.488 413 Y HA 0.583 5.134 4.550 0.001 0.000 0.325 413 Y C 0.196 176.144 175.900 0.080 0.000 1.204 413 Y CA -1.346 56.801 58.100 0.078 0.000 1.229 413 Y CB 1.107 39.596 38.460 0.049 0.000 1.274 413 Y HN 0.299 nan 8.280 nan 0.000 0.493 414 I N 1.276 122.037 120.570 0.317 0.000 2.433 414 I HA 0.304 4.474 4.170 0.001 0.000 0.292 414 I C -0.585 175.689 176.117 0.261 0.000 1.001 414 I CA -0.560 60.891 61.300 0.252 0.000 1.119 414 I CB 1.740 39.904 38.000 0.274 0.000 1.289 414 I HN 0.498 nan 8.210 nan 0.000 0.438 415 Q N 5.493 125.438 119.800 0.241 0.000 2.327 415 Q HA 0.389 4.729 4.340 0.001 0.000 0.270 415 Q C -1.135 174.964 176.000 0.165 0.000 1.022 415 Q CA -0.732 55.197 55.803 0.211 0.000 0.773 415 Q CB 1.039 29.910 28.738 0.221 0.000 1.251 415 Q HN 0.494 nan 8.270 nan 0.000 0.457 416 N N 4.188 122.990 118.700 0.171 0.000 2.605 416 N HA 0.014 4.754 4.740 0.001 0.000 0.258 416 N C 1.071 176.586 175.510 0.009 0.000 1.156 416 N CA 0.103 53.231 53.050 0.131 0.000 1.008 416 N CB 1.227 39.807 38.487 0.156 0.000 1.354 416 N HN 0.556 nan 8.380 nan 0.000 0.509 417 V N -0.603 119.253 119.914 -0.097 0.000 2.759 417 V HA -0.180 3.941 4.120 0.001 0.000 0.256 417 V C 1.623 177.617 176.094 -0.167 0.000 1.080 417 V CA 1.385 63.598 62.300 -0.145 0.000 1.101 417 V CB -0.314 31.327 31.823 -0.304 0.000 0.698 417 V HN 0.355 nan 8.190 nan 0.000 0.477 418 D N 0.110 120.380 120.400 -0.216 0.000 2.084 418 D HA -0.255 4.385 4.640 0.001 0.000 0.196 418 D C 1.951 178.264 176.300 0.021 0.000 0.985 418 D CA 2.117 56.041 54.000 -0.127 0.000 0.826 418 D CB -0.929 39.806 40.800 -0.108 0.000 0.978 418 D HN 0.513 nan 8.370 nan 0.000 0.456 419 H N 0.211 119.264 119.070 -0.028 0.000 2.387 419 H HA -0.024 4.532 4.556 0.001 0.000 0.299 419 H C 2.339 177.673 175.328 0.010 0.000 1.099 419 H CA 0.763 56.786 56.048 -0.042 0.000 1.315 419 H CB -0.935 28.774 29.762 -0.089 0.000 1.380 419 H HN 0.301 nan 8.280 nan 0.000 0.513 420 C N 0.579 119.956 119.300 0.128 0.000 2.437 420 C HA -0.022 4.439 4.460 0.001 0.000 0.283 420 C C 2.076 177.106 174.990 0.065 0.000 1.424 420 C CA 0.620 59.686 59.018 0.080 0.000 1.782 420 C CB -0.484 27.286 27.740 0.049 0.000 1.833 420 C HN 0.605 nan 8.230 nan 0.000 0.532 421 N N -0.557 118.179 118.700 0.060 0.000 2.257 421 N HA -0.030 4.710 4.740 0.001 0.000 0.200 421 N C 1.692 177.228 175.510 0.044 0.000 1.163 421 N CA 1.157 54.238 53.050 0.052 0.000 0.891 421 N CB -0.013 38.501 38.487 0.045 0.000 1.067 421 N HN 0.648 nan 8.380 nan 0.000 0.497 422 T N -2.272 112.317 114.554 0.058 0.000 3.035 422 T HA -0.015 4.336 4.350 0.001 0.000 0.259 422 T C 0.546 175.290 174.700 0.073 0.000 1.078 422 T CA 0.840 62.968 62.100 0.047 0.000 1.132 422 T CB -0.114 68.779 68.868 0.042 0.000 0.900 422 T HN 0.054 nan 8.240 nan 0.000 0.480 423 H N 0.872 119.916 119.070 -0.043 0.000 2.736 423 H HA 0.701 5.257 4.556 0.001 0.000 0.271 423 H C -1.189 174.108 175.328 -0.051 0.000 1.184 423 H CA -0.842 55.163 56.048 -0.073 0.000 1.378 423 H CB 0.493 30.197 29.762 -0.096 0.000 1.428 423 H HN 0.254 nan 8.280 nan 0.000 0.500 424 S N 4.131 119.705 115.700 -0.210 0.000 2.542 424 S HA 0.278 4.749 4.470 0.001 0.000 0.276 424 S C -2.427 172.005 174.600 -0.281 0.000 1.148 424 S CA -1.143 56.950 58.200 -0.178 0.000 0.886 424 S CB 1.334 64.530 63.200 -0.007 0.000 1.109 424 S HN 0.354 nan 8.310 nan 0.000 0.458 425 P HA 0.173 nan 4.420 nan 0.000 0.230 425 P C -0.534 176.359 177.300 -0.678 0.000 1.158 425 P CA 0.818 63.582 63.100 -0.560 0.000 0.769 425 P CB -0.120 31.246 31.700 -0.557 0.000 0.807 426 F N -0.311 119.604 119.950 -0.058 0.000 2.480 426 F HA 0.318 4.845 4.527 0.001 0.000 0.329 426 F C 0.731 176.496 175.800 -0.058 0.000 1.091 426 F CA -1.553 56.421 58.000 -0.042 0.000 0.972 426 F CB 0.638 39.627 39.000 -0.018 0.000 1.150 426 F HN -0.341 nan 8.300 nan 0.000 0.467 427 D N 4.738 125.217 120.400 0.132 0.000 2.336 427 D HA 0.168 4.809 4.640 0.001 0.000 0.249 427 D C -1.667 174.672 176.300 0.065 0.000 1.213 427 D CA -2.454 51.579 54.000 0.055 0.000 0.870 427 D CB 1.250 42.059 40.800 0.016 0.000 1.076 427 D HN 0.140 nan 8.370 nan 0.000 0.483 428 P HA -0.054 nan 4.420 nan 0.000 0.230 428 P C 0.813 178.133 177.300 0.034 0.000 1.158 428 P CA 0.424 63.550 63.100 0.044 0.000 0.769 428 P CB 0.237 31.965 31.700 0.047 0.000 0.807 429 A N -0.538 122.297 122.820 0.025 0.000 2.016 429 A HA 0.004 4.324 4.320 0.001 0.000 0.217 429 A C 2.098 179.684 177.584 0.004 0.000 1.162 429 A CA 0.964 53.012 52.037 0.019 0.000 0.662 429 A CB -0.894 18.113 19.000 0.013 0.000 0.812 429 A HN 0.184 nan 8.150 nan 0.000 0.450 430 I N -2.462 118.106 120.570 -0.004 0.000 3.443 430 I HA 0.249 4.419 4.170 0.001 0.000 0.277 430 I C 1.054 177.141 176.117 -0.050 0.000 1.169 430 I CA 0.781 62.063 61.300 -0.031 0.000 1.419 430 I CB 0.480 38.461 38.000 -0.031 0.000 1.331 430 I HN 0.168 nan 8.210 nan 0.000 0.458 431 A N 2.766 125.571 122.820 -0.026 0.000 3.266 431 A HA 0.497 4.818 4.320 0.001 0.000 0.310 431 A C -2.693 174.835 177.584 -0.094 0.000 1.066 431 A CA -1.089 50.897 52.037 -0.086 0.000 0.839 431 A CB -0.304 18.635 19.000 -0.102 0.000 1.192 431 A HN -0.085 nan 8.150 nan 0.000 0.496 432 P HA 0.269 nan 4.420 nan 0.000 0.274 432 P C -0.121 177.080 177.300 -0.165 0.000 1.231 432 P CA 0.032 63.091 63.100 -0.070 0.000 0.790 432 P CB 1.421 33.098 31.700 -0.038 0.000 0.951 433 V N 4.775 124.617 119.914 -0.120 0.000 2.432 433 V HA 0.235 4.355 4.120 0.001 0.000 0.271 433 V C 1.573 177.508 176.094 -0.265 0.000 1.046 433 V CA 0.117 62.314 62.300 -0.172 0.000 0.945 433 V CB 0.332 32.118 31.823 -0.061 0.000 0.992 433 V HN 0.552 nan 8.190 nan 0.000 0.471 434 R N 3.651 123.884 120.500 -0.445 0.000 2.549 434 R HA 0.259 4.599 4.340 0.001 0.000 0.344 434 R C 0.188 176.185 176.300 -0.506 0.000 0.979 434 R CA -0.063 55.517 56.100 -0.866 0.000 1.140 434 R CB 0.860 30.491 30.300 -1.116 0.000 1.377 434 R HN 0.948 nan 8.270 nan 0.000 0.541 435 Q N -2.285 117.263 119.800 -0.420 0.000 2.919 435 Q HA 0.412 4.752 4.340 0.001 0.000 0.323 435 Q C -1.325 174.247 176.000 -0.714 0.000 0.829 435 Q CA -0.823 54.573 55.803 -0.678 0.000 0.803 435 Q CB 1.265 29.637 28.738 -0.609 0.000 1.423 435 Q HN -0.073 nan 8.270 nan 0.000 0.478 436 S N -0.639 114.342 115.700 -1.198 0.000 2.998 436 S HA 0.598 5.068 4.470 0.001 0.000 0.323 436 S C -1.343 173.125 174.600 -0.220 0.000 1.141 436 S CA -0.112 57.773 58.200 -0.526 0.000 0.873 436 S CB 1.191 64.248 63.200 -0.238 0.000 1.315 436 S HN 0.836 nan 8.310 nan 0.000 0.637 437 N N 0.434 119.163 118.700 0.048 0.000 2.776 437 N HA 0.238 4.978 4.740 0.001 0.000 0.319 437 N C 0.987 176.601 175.510 0.174 0.000 1.316 437 N CA -0.546 52.566 53.050 0.103 0.000 0.890 437 N CB -0.435 38.060 38.487 0.013 0.000 1.165 437 N HN 0.512 nan 8.380 nan 0.000 0.596 438 L N 0.003 121.268 121.223 0.070 0.000 2.042 438 L HA -0.023 4.318 4.340 0.001 0.000 0.210 438 L C 1.431 178.265 176.870 -0.060 0.000 1.076 438 L CA 1.820 56.676 54.840 0.027 0.000 0.749 438 L CB -0.393 41.675 42.059 0.015 0.000 0.893 438 L HN 0.691 nan 8.230 nan 0.000 0.432 439 C N -0.297 118.947 119.300 -0.093 0.000 2.884 439 C HA 0.387 4.847 4.460 0.001 0.000 0.287 439 C C 1.003 175.857 174.990 -0.226 0.000 1.310 439 C CA -0.832 58.054 59.018 -0.220 0.000 1.725 439 C CB -0.646 26.996 27.740 -0.164 0.000 2.060 439 C HN 0.564 nan 8.230 nan 0.000 0.618 440 L N 1.915 123.070 121.223 -0.114 0.000 4.291 440 L HA -0.170 4.171 4.340 0.001 0.000 0.413 440 L C 1.713 178.560 176.870 -0.038 0.000 1.162 440 L CA 1.648 56.455 54.840 -0.056 0.000 0.961 440 L CB -1.744 40.219 42.059 -0.161 0.000 2.095 440 L HN 0.667 nan 8.230 nan 0.000 0.838 441 E N -0.795 119.384 120.200 -0.036 0.000 2.465 441 E HA 0.096 4.446 4.350 0.001 0.000 0.209 441 E C 0.775 177.372 176.600 -0.004 0.000 0.951 441 E CA -0.064 56.325 56.400 -0.018 0.000 0.997 441 E CB 0.633 30.321 29.700 -0.019 0.000 1.025 441 E HN 0.418 nan 8.360 nan 0.000 0.500 442 I N 2.302 122.865 120.570 -0.011 0.000 2.353 442 I HA 0.466 4.637 4.170 0.001 0.000 0.293 442 I C -0.188 175.910 176.117 -0.031 0.000 0.992 442 I CA -0.817 60.477 61.300 -0.009 0.000 1.268 442 I CB 1.070 39.061 38.000 -0.015 0.000 1.387 442 I HN 0.091 nan 8.210 nan 0.000 0.478 443 A N 8.375 131.192 122.820 -0.004 0.000 2.569 443 A HA 0.789 5.109 4.320 0.001 0.000 0.282 443 A C -0.937 176.658 177.584 0.019 0.000 1.165 443 A CA -0.395 51.629 52.037 -0.022 0.000 0.747 443 A CB 0.754 19.758 19.000 0.005 0.000 1.215 443 A HN 0.627 nan 8.150 nan 0.000 0.431 444 L N 2.071 123.244 121.223 -0.084 0.000 2.424 444 L HA 0.549 4.889 4.340 0.001 0.000 0.258 444 L C -2.661 174.022 176.870 -0.311 0.000 0.995 444 L CA -2.430 52.307 54.840 -0.171 0.000 0.821 444 L CB 2.868 44.872 42.059 -0.091 0.000 1.383 444 L HN 0.343 nan 8.230 nan 0.000 0.410 445 P HA 0.186 nan 4.420 nan 0.000 0.269 445 P C -0.867 176.297 177.300 -0.227 0.000 1.209 445 P CA -0.100 62.759 63.100 -0.401 0.000 0.776 445 P CB 0.763 32.153 31.700 -0.517 0.000 0.876 446 T N -0.891 113.556 114.554 -0.178 0.000 2.864 446 T HA 0.735 5.086 4.350 0.001 0.000 0.299 446 T C -1.142 173.510 174.700 -0.080 0.000 1.166 446 T CA -1.007 61.028 62.100 -0.109 0.000 1.007 446 T CB 2.101 70.900 68.868 -0.115 0.000 1.219 446 T HN 0.401 nan 8.240 nan 0.000 0.506 447 K N 1.135 121.512 120.400 -0.039 0.000 2.535 447 K HA 0.579 4.899 4.320 0.001 0.000 0.251 447 K C -3.179 173.420 176.600 -0.001 0.000 0.942 447 K CA -1.913 54.361 56.287 -0.022 0.000 0.798 447 K CB 2.098 34.585 32.500 -0.020 0.000 1.267 447 K HN 0.335 nan 8.250 nan 0.000 0.434 448 P HA 0.070 nan 4.420 nan 0.000 0.269 448 P C -1.082 176.235 177.300 0.027 0.000 1.215 448 P CA -0.384 62.726 63.100 0.018 0.000 0.780 448 P CB 0.437 32.150 31.700 0.022 0.000 0.898 449 L N 2.947 124.193 121.223 0.038 0.000 2.334 449 L HA 0.364 4.704 4.340 0.001 0.000 0.275 449 L C 1.400 178.301 176.870 0.051 0.000 1.036 449 L CA 0.285 55.153 54.840 0.046 0.000 0.807 449 L CB 0.412 42.503 42.059 0.054 0.000 1.231 449 L HN 0.224 nan 8.230 nan 0.000 0.438 450 N N 0.663 119.392 118.700 0.048 0.000 2.280 450 N HA 0.090 4.831 4.740 0.001 0.000 0.192 450 N C -0.723 174.820 175.510 0.056 0.000 1.109 450 N CA 0.223 53.304 53.050 0.051 0.000 0.855 450 N CB 0.259 38.771 38.487 0.043 0.000 0.974 450 N HN 0.716 nan 8.380 nan 0.000 0.482 451 D N -2.464 117.970 120.400 0.056 0.000 2.720 451 D HA 0.061 4.701 4.640 0.001 0.000 0.239 451 D C 0.961 177.295 176.300 0.056 0.000 1.218 451 D CA -0.495 53.538 54.000 0.055 0.000 0.748 451 D CB 0.943 41.770 40.800 0.046 0.000 1.387 451 D HN -0.226 nan 8.370 nan 0.000 0.438 452 V N 1.101 121.049 119.914 0.055 0.000 2.380 452 V HA -0.110 4.010 4.120 0.001 0.000 0.251 452 V C 1.273 177.395 176.094 0.047 0.000 1.063 452 V CA 1.487 63.819 62.300 0.053 0.000 1.055 452 V CB -0.612 31.237 31.823 0.043 0.000 0.657 452 V HN 0.580 nan 8.190 nan 0.000 0.455 453 N N 0.054 118.778 118.700 0.040 0.000 2.251 453 N HA 0.083 4.823 4.740 0.001 0.000 0.217 453 N C 0.246 175.779 175.510 0.039 0.000 1.124 453 N CA 0.029 53.101 53.050 0.037 0.000 0.843 453 N CB -0.147 38.356 38.487 0.028 0.000 1.024 453 N HN 0.517 nan 8.380 nan 0.000 0.501 454 D N 1.878 122.304 120.400 0.043 0.000 2.426 454 D HA -0.059 4.582 4.640 0.001 0.000 0.261 454 D C 1.040 177.367 176.300 0.046 0.000 1.245 454 D CA 0.424 54.449 54.000 0.042 0.000 0.917 454 D CB 0.703 41.530 40.800 0.044 0.000 1.123 454 D HN 0.088 nan 8.370 nan 0.000 0.508 455 E N 2.990 123.216 120.200 0.043 0.000 2.347 455 E HA -0.106 4.245 4.350 0.001 0.000 0.196 455 E C 0.603 177.238 176.600 0.059 0.000 1.008 455 E CA 0.396 56.826 56.400 0.049 0.000 0.852 455 E CB 0.105 29.831 29.700 0.042 0.000 0.783 455 E HN 0.463 nan 8.360 nan 0.000 0.505 456 N N 0.491 119.220 118.700 0.047 0.000 2.398 456 N HA 0.019 4.760 4.740 0.001 0.000 0.188 456 N C 0.595 176.130 175.510 0.041 0.000 1.122 456 N CA 0.288 53.362 53.050 0.040 0.000 0.866 456 N CB 0.342 38.843 38.487 0.023 0.000 0.970 456 N HN 0.045 nan 8.380 nan 0.000 0.462 457 G N -0.091 108.740 108.800 0.051 0.000 2.599 457 G HA2 0.311 4.271 3.960 0.001 0.000 0.264 457 G HA3 0.311 4.271 3.960 0.001 0.000 0.264 457 G C -0.683 174.259 174.900 0.070 0.000 1.200 457 G CA -0.281 44.848 45.100 0.050 0.000 0.896 457 G HN 0.156 nan 8.290 nan 0.000 0.536 458 E N -0.142 120.091 120.200 0.056 0.000 2.281 458 E HA 0.351 4.702 4.350 0.001 0.000 0.266 458 E C -1.101 175.520 176.600 0.034 0.000 0.893 458 E CA -0.529 55.915 56.400 0.074 0.000 0.798 458 E CB 1.379 31.141 29.700 0.103 0.000 1.245 458 E HN 0.334 nan 8.360 nan 0.000 0.410 459 I N 3.337 123.931 120.570 0.039 0.000 2.321 459 I HA 0.406 4.576 4.170 0.001 0.000 0.291 459 I C 0.252 176.363 176.117 -0.010 0.000 0.998 459 I CA -0.605 60.700 61.300 0.008 0.000 1.227 459 I CB 1.627 39.650 38.000 0.039 0.000 1.368 459 I HN 0.560 nan 8.210 nan 0.000 0.466 460 A N 8.065 130.857 122.820 -0.047 0.000 2.401 460 A HA 0.692 5.012 4.320 0.001 0.000 0.259 460 A C -0.480 177.067 177.584 -0.061 0.000 1.103 460 A CA -0.080 51.926 52.037 -0.051 0.000 0.789 460 A CB 0.286 19.239 19.000 -0.079 0.000 1.035 460 A HN 0.697 nan 8.150 nan 0.000 0.491 461 L N 1.213 122.420 121.223 -0.025 0.000 2.323 461 L HA 0.684 5.024 4.340 0.001 0.000 0.265 461 L C -0.483 176.392 176.870 0.008 0.000 1.012 461 L CA -0.709 54.117 54.840 -0.023 0.000 0.820 461 L CB 2.186 44.267 42.059 0.037 0.000 1.334 461 L HN 0.766 nan 8.230 nan 0.000 0.427 462 C N 0.308 119.610 119.300 0.004 0.000 2.880 462 C HA 0.680 5.141 4.460 0.001 0.000 0.320 462 C C -0.253 174.750 174.990 0.021 0.000 1.176 462 C CA -0.117 58.914 59.018 0.021 0.000 1.390 462 C CB 2.023 29.773 27.740 0.017 0.000 1.846 462 C HN 0.844 nan 8.230 nan 0.000 0.478 463 T N 5.872 120.440 114.554 0.025 0.000 2.794 463 T HA 0.610 4.961 4.350 0.001 0.000 0.280 463 T C -0.518 174.184 174.700 0.004 0.000 0.987 463 T CA -0.170 61.940 62.100 0.018 0.000 0.993 463 T CB 0.709 69.585 68.868 0.014 0.000 0.939 463 T HN 0.545 nan 8.240 nan 0.000 0.449 464 L N 1.882 123.107 121.223 0.003 0.000 2.322 464 L HA 0.874 5.214 4.340 0.001 0.000 0.269 464 L C 0.285 177.143 176.870 -0.020 0.000 1.012 464 L CA -0.759 54.078 54.840 -0.007 0.000 0.815 464 L CB 1.941 44.005 42.059 0.007 0.000 1.295 464 L HN 0.603 nan 8.230 nan 0.000 0.438 465 S N -0.457 115.211 115.700 -0.054 0.000 2.655 465 S HA 0.838 5.308 4.470 0.001 0.000 0.266 465 S C -1.721 172.788 174.600 -0.152 0.000 1.149 465 S CA -0.369 57.782 58.200 -0.081 0.000 0.818 465 S CB 1.986 65.126 63.200 -0.100 0.000 1.130 465 S HN 0.834 nan 8.310 nan 0.000 0.476 466 A N 0.713 123.425 122.820 -0.181 0.000 2.549 466 A HA 0.807 5.127 4.320 0.001 0.000 0.297 466 A C -1.924 175.530 177.584 -0.217 0.000 1.061 466 A CA -0.548 51.370 52.037 -0.199 0.000 0.690 466 A CB 0.627 19.611 19.000 -0.025 0.000 1.287 466 A HN 0.456 nan 8.150 nan 0.000 0.402 467 F N 1.737 121.693 119.950 0.010 0.000 2.410 467 F HA 0.349 4.877 4.527 0.001 0.000 0.348 467 F C 0.943 176.746 175.800 0.005 0.000 1.106 467 F CA -0.687 57.304 58.000 -0.016 0.000 1.163 467 F CB 1.049 40.009 39.000 -0.066 0.000 1.129 467 F HN 0.585 nan 8.300 nan 0.000 0.516 468 N N 4.213 123.046 118.700 0.222 0.000 2.415 468 N HA 0.104 4.845 4.740 0.001 0.000 0.250 468 N C 0.758 176.354 175.510 0.143 0.000 1.127 468 N CA 0.166 53.320 53.050 0.174 0.000 0.945 468 N CB 0.402 38.991 38.487 0.170 0.000 1.196 468 N HN 0.714 nan 8.380 nan 0.000 0.499 469 L N 1.946 123.235 121.223 0.111 0.000 2.362 469 L HA -0.003 4.337 4.340 0.001 0.000 0.219 469 L C 1.932 178.928 176.870 0.210 0.000 1.134 469 L CA 0.934 55.773 54.840 -0.002 0.000 0.807 469 L CB -0.062 41.843 42.059 -0.256 0.000 0.927 469 L HN 0.554 nan 8.230 nan 0.000 0.447 470 G N -1.123 107.874 108.800 0.329 0.000 2.880 470 G HA2 0.116 4.077 3.960 0.001 0.000 0.209 470 G HA3 0.116 4.077 3.960 0.001 0.000 0.209 470 G C 1.352 176.460 174.900 0.346 0.000 1.157 470 G CA 0.592 45.992 45.100 0.500 0.000 0.779 470 G HN 0.396 nan 8.290 nan 0.000 0.539 471 A N 0.277 123.227 122.820 0.217 0.000 2.390 471 A HA 0.537 4.858 4.320 0.001 0.000 0.232 471 A C 0.922 178.553 177.584 0.079 0.000 1.233 471 A CA -0.279 51.844 52.037 0.143 0.000 0.907 471 A CB -0.186 18.892 19.000 0.130 0.000 0.967 471 A HN 0.512 nan 8.150 nan 0.000 0.512 472 I N -3.964 116.654 120.570 0.080 0.000 2.428 472 I HA 0.426 4.596 4.170 0.001 0.000 0.296 472 I C 0.361 176.512 176.117 0.057 0.000 0.985 472 I CA -0.798 60.519 61.300 0.028 0.000 1.260 472 I CB 1.020 39.005 38.000 -0.025 0.000 1.389 472 I HN -0.130 nan 8.210 nan 0.000 0.484 473 N N 3.575 122.286 118.700 0.018 0.000 2.333 473 N HA -0.014 4.726 4.740 0.001 0.000 0.178 473 N C -0.287 175.243 175.510 0.034 0.000 1.018 473 N CA 0.695 53.757 53.050 0.019 0.000 0.882 473 N CB -0.148 38.332 38.487 -0.012 0.000 0.984 473 N HN 0.912 nan 8.380 nan 0.000 0.434 474 N N -1.922 116.790 118.700 0.020 0.000 2.825 474 N HA 0.210 4.951 4.740 0.001 0.000 0.253 474 N C 0.039 175.553 175.510 0.007 0.000 1.426 474 N CA -0.658 52.411 53.050 0.031 0.000 0.851 474 N CB 0.920 39.413 38.487 0.010 0.000 1.470 474 N HN -0.291 nan 8.380 nan 0.000 0.517 475 L N -0.524 120.718 121.223 0.032 0.000 2.353 475 L HA -0.051 4.289 4.340 0.001 0.000 0.220 475 L C 0.668 177.565 176.870 0.044 0.000 1.133 475 L CA 1.007 55.866 54.840 0.032 0.000 0.798 475 L CB -0.371 41.740 42.059 0.085 0.000 0.922 475 L HN 0.672 nan 8.230 nan 0.000 0.445 476 D N -0.144 120.275 120.400 0.033 0.000 2.347 476 D HA -0.100 4.540 4.640 0.001 0.000 0.213 476 D C 1.815 177.975 176.300 -0.233 0.000 0.985 476 D CA 0.534 54.517 54.000 -0.028 0.000 0.879 476 D CB 0.184 41.013 40.800 0.047 0.000 0.919 476 D HN 0.402 nan 8.370 nan 0.000 0.526 477 E N 0.178 120.263 120.200 -0.191 0.000 2.338 477 E HA -0.055 4.295 4.350 0.001 0.000 0.197 477 E C 1.900 178.292 176.600 -0.346 0.000 1.007 477 E CA 0.148 56.410 56.400 -0.230 0.000 0.849 477 E CB 0.103 29.707 29.700 -0.159 0.000 0.774 477 E HN 0.304 nan 8.360 nan 0.000 0.506 478 L N 0.692 121.655 121.223 -0.433 0.000 2.362 478 L HA -0.142 4.198 4.340 0.001 0.000 0.219 478 L C 2.416 178.875 176.870 -0.685 0.000 1.134 478 L CA 0.679 55.175 54.840 -0.574 0.000 0.807 478 L CB -0.185 41.582 42.059 -0.486 0.000 0.927 478 L HN 0.169 nan 8.230 nan 0.000 0.447 479 E N 0.667 120.251 120.200 -1.027 0.000 2.031 479 E HA -0.265 4.085 4.350 0.001 0.000 0.193 479 E C 1.913 178.277 176.600 -0.393 0.000 0.994 479 E CA 1.660 57.490 56.400 -0.950 0.000 0.800 479 E CB 0.168 29.297 29.700 -0.952 0.000 0.752 479 E HN 0.441 nan 8.360 nan 0.000 0.447 480 E N 0.616 120.629 120.200 -0.312 0.000 2.051 480 E HA -0.179 4.171 4.350 0.001 0.000 0.192 480 E C 2.180 178.723 176.600 -0.095 0.000 0.991 480 E CA 1.249 57.546 56.400 -0.171 0.000 0.799 480 E CB -0.192 29.409 29.700 -0.164 0.000 0.748 480 E HN 0.297 nan 8.360 nan 0.000 0.449 481 L N 0.313 121.458 121.223 -0.130 0.000 2.083 481 L HA -0.166 4.174 4.340 0.001 0.000 0.209 481 L C 2.416 179.409 176.870 0.204 0.000 1.083 481 L CA 1.055 55.903 54.840 0.012 0.000 0.752 481 L CB -0.498 41.513 42.059 -0.080 0.000 0.899 481 L HN 0.168 nan 8.230 nan 0.000 0.433 482 A N 0.258 123.122 122.820 0.073 0.000 1.930 482 A HA -0.145 4.175 4.320 0.001 0.000 0.217 482 A C 2.222 179.900 177.584 0.157 0.000 1.175 482 A CA 1.352 53.519 52.037 0.216 0.000 0.627 482 A CB -0.565 18.487 19.000 0.088 0.000 0.815 482 A HN 0.329 nan 8.150 nan 0.000 0.443 483 I N -0.363 120.262 120.570 0.092 0.000 2.142 483 I HA -0.231 3.939 4.170 0.001 0.000 0.240 483 I C 2.253 178.496 176.117 0.209 0.000 1.078 483 I CA 0.831 62.205 61.300 0.123 0.000 1.343 483 I CB -0.326 37.731 38.000 0.097 0.000 1.046 483 I HN 0.201 nan 8.210 nan 0.000 0.405 484 L N 0.733 122.105 121.223 0.249 0.000 1.989 484 L HA -0.212 4.129 4.340 0.001 0.000 0.211 484 L C 2.815 179.940 176.870 0.425 0.000 1.071 484 L CA 2.386 57.472 54.840 0.410 0.000 0.749 484 L CB -1.978 40.330 42.059 0.416 0.000 0.890 484 L HN 0.268 nan 8.230 nan 0.000 0.431 485 A N -0.771 122.247 122.820 0.329 0.000 1.877 485 A HA -0.146 4.175 4.320 0.001 0.000 0.216 485 A C 2.459 180.111 177.584 0.114 0.000 1.186 485 A CA 1.896 54.076 52.037 0.239 0.000 0.620 485 A CB -0.829 18.245 19.000 0.122 0.000 0.822 485 A HN 0.232 nan 8.150 nan 0.000 0.443 486 V N -0.203 119.773 119.914 0.104 0.000 2.358 486 V HA -0.238 3.883 4.120 0.001 0.000 0.246 486 V C 2.644 178.738 176.094 0.001 0.000 1.047 486 V CA 2.218 64.542 62.300 0.040 0.000 1.035 486 V CB -0.789 31.058 31.823 0.041 0.000 0.658 486 V HN 0.513 nan 8.190 nan 0.000 0.452 487 R N -0.051 120.467 120.500 0.029 0.000 2.073 487 R HA -0.029 4.312 4.340 0.001 0.000 0.229 487 R C 2.462 178.588 176.300 -0.289 0.000 1.120 487 R CA 1.324 57.404 56.100 -0.034 0.000 0.967 487 R CB -0.552 29.799 30.300 0.085 0.000 0.862 487 R HN 0.522 nan 8.270 nan 0.000 0.436 488 A N 1.368 123.965 122.820 -0.371 0.000 1.858 488 A HA -0.141 4.180 4.320 0.001 0.000 0.216 488 A C 2.162 179.480 177.584 -0.442 0.000 1.190 488 A CA 1.231 52.827 52.037 -0.735 0.000 0.617 488 A CB -0.615 17.949 19.000 -0.727 0.000 0.827 488 A HN 0.164 nan 8.150 nan 0.000 0.443 489 L N -0.795 120.298 121.223 -0.218 0.000 2.056 489 L HA -0.182 4.158 4.340 0.001 0.000 0.207 489 L C 2.412 179.209 176.870 -0.123 0.000 1.078 489 L CA 1.789 56.543 54.840 -0.142 0.000 0.749 489 L CB -0.781 41.237 42.059 -0.069 0.000 0.901 489 L HN 0.419 nan 8.230 nan 0.000 0.433 490 D N 0.272 120.605 120.400 -0.112 0.000 2.149 490 D HA -0.182 4.458 4.640 0.001 0.000 0.198 490 D C 2.152 178.397 176.300 -0.092 0.000 0.990 490 D CA 1.392 55.345 54.000 -0.078 0.000 0.839 490 D CB 0.172 40.936 40.800 -0.060 0.000 0.948 490 D HN 0.258 nan 8.370 nan 0.000 0.460 491 A N -0.011 122.707 122.820 -0.171 0.000 1.902 491 A HA -0.104 4.216 4.320 0.001 0.000 0.217 491 A C 2.140 179.640 177.584 -0.138 0.000 1.181 491 A CA 1.281 53.210 52.037 -0.180 0.000 0.623 491 A CB -0.924 17.869 19.000 -0.344 0.000 0.818 491 A HN 0.381 nan 8.150 nan 0.000 0.443 492 L N 0.087 121.199 121.223 -0.186 0.000 2.081 492 L HA -0.175 4.166 4.340 0.001 0.000 0.212 492 L C 2.258 179.166 176.870 0.064 0.000 1.080 492 L CA 1.704 56.488 54.840 -0.093 0.000 0.754 492 L CB -0.538 41.422 42.059 -0.164 0.000 0.893 492 L HN 0.437 nan 8.230 nan 0.000 0.433 493 L N -0.664 120.590 121.223 0.051 0.000 2.043 493 L HA -0.259 4.081 4.340 0.001 0.000 0.212 493 L C 1.786 178.785 176.870 0.215 0.000 1.075 493 L CA 1.568 56.495 54.840 0.145 0.000 0.752 493 L CB -0.859 41.255 42.059 0.092 0.000 0.891 493 L HN 0.327 nan 8.230 nan 0.000 0.432 494 D N -1.979 118.502 120.400 0.136 0.000 2.349 494 D HA -0.106 4.534 4.640 0.001 0.000 0.224 494 D C 1.547 177.957 176.300 0.184 0.000 1.029 494 D CA 0.627 54.710 54.000 0.138 0.000 0.879 494 D CB 0.308 41.144 40.800 0.060 0.000 0.906 494 D HN 0.357 nan 8.370 nan 0.000 0.528 495 Y N 1.495 121.816 120.300 0.035 0.000 2.500 495 Y HA 0.068 4.618 4.550 0.001 0.000 0.284 495 Y C 1.130 177.073 175.900 0.072 0.000 1.118 495 Y CA 0.051 58.162 58.100 0.018 0.000 1.241 495 Y CB 0.270 38.709 38.460 -0.035 0.000 1.171 495 Y HN -0.124 nan 8.280 nan 0.000 0.540 496 Q N 0.985 120.871 119.800 0.143 0.000 2.382 496 Q HA 0.181 4.522 4.340 0.001 0.000 0.229 496 Q C -0.906 174.943 176.000 -0.252 0.000 1.006 496 Q CA -0.611 55.203 55.803 0.019 0.000 0.916 496 Q CB 0.806 29.598 28.738 0.091 0.000 1.235 496 Q HN 0.107 nan 8.270 nan 0.000 0.512 497 D N 0.209 120.416 120.400 -0.321 0.000 2.329 497 D HA 0.241 4.881 4.640 0.001 0.000 0.246 497 D C -1.278 174.698 176.300 -0.541 0.000 1.111 497 D CA 0.063 53.884 54.000 -0.297 0.000 0.941 497 D CB 0.504 41.176 40.800 -0.213 0.000 1.169 497 D HN 0.427 nan 8.370 nan 0.000 0.441 498 Y N 0.729 121.024 120.300 -0.010 0.000 2.488 498 Y HA 0.229 4.779 4.550 0.001 0.000 0.330 498 Y C -1.348 174.529 175.900 -0.039 0.000 1.013 498 Y CA -1.326 56.786 58.100 0.020 0.000 1.304 498 Y CB 1.732 40.212 38.460 0.033 0.000 1.098 498 Y HN 0.233 nan 8.280 nan 0.000 0.498 499 P HA -0.000 nan 4.420 nan 0.000 0.222 499 P C 0.064 177.317 177.300 -0.078 0.000 1.153 499 P CA 1.213 64.228 63.100 -0.141 0.000 0.798 499 P CB 1.121 32.603 31.700 -0.364 0.000 0.796 500 I N 0.618 121.192 120.570 0.006 0.000 2.389 500 I HA 0.221 4.391 4.170 0.001 0.000 0.288 500 I C -1.746 174.444 176.117 0.122 0.000 0.999 500 I CA -2.796 58.550 61.300 0.076 0.000 1.129 500 I CB 1.452 39.542 38.000 0.150 0.000 1.288 500 I HN -0.284 nan 8.210 nan 0.000 0.444 501 P HA -0.185 nan 4.420 nan 0.000 0.216 501 P C 1.523 178.853 177.300 0.051 0.000 1.154 501 P CA 1.724 64.855 63.100 0.051 0.000 0.865 501 P CB 0.421 32.144 31.700 0.038 0.000 0.789 502 A N -0.540 122.325 122.820 0.075 0.000 2.019 502 A HA -0.067 4.254 4.320 0.001 0.000 0.219 502 A C 2.254 179.886 177.584 0.081 0.000 1.164 502 A CA 1.881 53.965 52.037 0.078 0.000 0.644 502 A CB -1.390 17.658 19.000 0.080 0.000 0.805 502 A HN 0.221 nan 8.150 nan 0.000 0.449 503 A N -0.277 122.620 122.820 0.128 0.000 1.930 503 A HA -0.050 4.270 4.320 0.001 0.000 0.215 503 A C 2.086 179.716 177.584 0.076 0.000 1.176 503 A CA 1.635 53.767 52.037 0.158 0.000 0.632 503 A CB -0.367 18.835 19.000 0.337 0.000 0.819 503 A HN 0.506 nan 8.150 nan 0.000 0.445 504 K N -0.323 120.061 120.400 -0.026 0.000 2.097 504 K HA -0.144 4.177 4.320 0.001 0.000 0.206 504 K C 2.243 178.632 176.600 -0.351 0.000 1.049 504 K CA 1.142 57.152 56.287 -0.462 0.000 0.933 504 K CB -0.165 32.079 32.500 -0.427 0.000 0.717 504 K HN 0.336 nan 8.250 nan 0.000 0.442 505 R N -0.341 120.060 120.500 -0.165 0.000 2.091 505 R HA -0.111 4.230 4.340 0.001 0.000 0.238 505 R C 2.380 178.517 176.300 -0.272 0.000 1.136 505 R CA 1.497 57.507 56.100 -0.149 0.000 0.959 505 R CB -0.597 29.749 30.300 0.077 0.000 0.856 505 R HN 0.391 nan 8.270 nan 0.000 0.437 506 G N 0.661 109.391 108.800 -0.117 0.000 2.433 506 G HA2 -0.256 3.704 3.960 0.001 0.000 0.216 506 G HA3 -0.256 3.704 3.960 0.001 0.000 0.216 506 G C 1.568 176.366 174.900 -0.170 0.000 1.186 506 G CA 0.921 45.967 45.100 -0.089 0.000 0.779 506 G HN 0.423 nan 8.290 nan 0.000 0.543 507 A N 0.282 123.013 122.820 -0.148 0.000 1.898 507 A HA 0.076 4.397 4.320 0.001 0.000 0.216 507 A C 2.409 179.866 177.584 -0.211 0.000 1.181 507 A CA 1.958 53.931 52.037 -0.107 0.000 0.620 507 A CB -0.292 18.728 19.000 0.032 0.000 0.819 507 A HN 0.299 nan 8.150 nan 0.000 0.442 508 M N -0.560 118.830 119.600 -0.350 0.000 2.349 508 M HA -0.009 4.472 4.480 0.001 0.000 0.266 508 M C 2.206 178.216 176.300 -0.483 0.000 1.076 508 M CA 1.223 56.309 55.300 -0.355 0.000 1.126 508 M CB -1.581 30.804 32.600 -0.359 0.000 1.392 508 M HN 0.474 nan 8.290 nan 0.000 0.440 509 G N 0.617 108.942 108.800 -0.792 0.000 2.396 509 G HA2 -0.135 3.825 3.960 0.001 0.000 0.214 509 G HA3 -0.135 3.825 3.960 0.001 0.000 0.214 509 G C 1.789 176.285 174.900 -0.673 0.000 1.166 509 G CA 0.187 44.416 45.100 -1.452 0.000 0.793 509 G HN 0.463 nan 8.290 nan 0.000 0.533 510 R N -1.085 119.238 120.500 -0.295 0.000 2.369 510 R HA 0.271 4.611 4.340 0.001 0.000 0.210 510 R C 0.387 176.715 176.300 0.047 0.000 0.881 510 R CA -0.380 55.745 56.100 0.041 0.000 1.031 510 R CB 0.440 30.868 30.300 0.214 0.000 1.184 510 R HN 0.093 nan 8.270 nan 0.000 0.581 511 R N 2.142 122.624 120.500 -0.031 0.000 3.264 511 R HA -0.112 4.228 4.340 0.001 0.000 0.251 511 R C -0.674 175.649 176.300 0.039 0.000 0.971 511 R CA 1.044 57.139 56.100 -0.008 0.000 0.658 511 R CB -2.291 27.994 30.300 -0.026 0.000 1.095 511 R HN 0.407 nan 8.270 nan 0.000 0.443 512 T N -1.125 113.468 114.554 0.066 0.000 2.832 512 T HA 0.581 4.932 4.350 0.001 0.000 0.296 512 T C 0.758 175.494 174.700 0.061 0.000 0.968 512 T CA -0.735 61.422 62.100 0.096 0.000 1.107 512 T CB 1.520 70.475 68.868 0.145 0.000 0.916 512 T HN 0.228 nan 8.240 nan 0.000 0.517 513 L N 2.079 123.333 121.223 0.051 0.000 2.313 513 L HA 0.825 5.165 4.340 0.001 0.000 0.268 513 L C 0.658 177.547 176.870 0.033 0.000 1.010 513 L CA -1.315 53.541 54.840 0.028 0.000 0.814 513 L CB 2.029 44.092 42.059 0.007 0.000 1.304 513 L HN 0.941 nan 8.230 nan 0.000 0.441 514 G N 1.863 110.671 108.800 0.013 0.000 2.954 514 G HA2 0.597 4.558 3.960 0.001 0.000 0.290 514 G HA3 0.597 4.558 3.960 0.001 0.000 0.290 514 G C -1.041 173.847 174.900 -0.020 0.000 1.574 514 G CA -0.169 44.939 45.100 0.013 0.000 1.088 514 G HN 0.345 nan 8.290 nan 0.000 0.557 515 I N 2.486 123.033 120.570 -0.039 0.000 2.321 515 I HA 0.567 4.737 4.170 0.001 0.000 0.291 515 I C 1.034 177.102 176.117 -0.081 0.000 0.998 515 I CA -0.354 60.865 61.300 -0.134 0.000 1.227 515 I CB 1.955 39.803 38.000 -0.252 0.000 1.368 515 I HN 0.457 nan 8.210 nan 0.000 0.466 516 G N 5.175 113.921 108.800 -0.090 0.000 3.008 516 G HA2 0.784 4.745 3.960 0.001 0.000 0.181 516 G HA3 0.784 4.745 3.960 0.001 0.000 0.181 516 G C -0.646 174.267 174.900 0.022 0.000 1.309 516 G CA -0.372 44.735 45.100 0.011 0.000 1.009 516 G HN 0.537 nan 8.290 nan 0.000 0.584 517 V N -1.832 118.135 119.914 0.088 0.000 3.078 517 V HA 0.860 4.980 4.120 0.001 0.000 0.311 517 V C -0.524 175.654 176.094 0.140 0.000 1.138 517 V CA -1.012 61.358 62.300 0.116 0.000 1.007 517 V CB 1.508 33.395 31.823 0.106 0.000 1.045 517 V HN 1.148 nan 8.190 nan 0.000 0.432 518 I N -1.124 119.544 120.570 0.164 0.000 3.145 518 I HA 0.760 4.930 4.170 0.001 0.000 0.313 518 I C 0.288 176.557 176.117 0.253 0.000 1.122 518 I CA -0.791 60.627 61.300 0.197 0.000 0.987 518 I CB 2.182 40.275 38.000 0.156 0.000 1.236 518 I HN 0.735 nan 8.210 nan 0.000 0.453 519 N N 0.536 119.414 118.700 0.296 0.000 2.776 519 N HA -0.256 4.484 4.740 0.001 0.000 0.250 519 N C 0.146 175.931 175.510 0.457 0.000 1.112 519 N CA 1.066 54.341 53.050 0.374 0.000 0.733 519 N CB -1.141 37.562 38.487 0.360 0.000 1.097 519 N HN 0.848 nan 8.380 nan 0.000 0.558 520 F N 0.630 120.756 119.950 0.293 0.000 2.134 520 F HA 0.021 4.548 4.527 0.001 0.000 0.299 520 F C 2.128 178.143 175.800 0.358 0.000 1.097 520 F CA 2.039 60.219 58.000 0.300 0.000 1.264 520 F CB -0.627 38.553 39.000 0.299 0.000 1.001 520 F HN 0.203 nan 8.300 nan 0.000 0.479 521 A N -0.515 122.532 122.820 0.379 0.000 1.877 521 A HA -0.258 4.062 4.320 0.001 0.000 0.216 521 A C 2.165 179.868 177.584 0.197 0.000 1.186 521 A CA 1.728 53.965 52.037 0.334 0.000 0.620 521 A CB -1.749 17.586 19.000 0.560 0.000 0.822 521 A HN 0.601 nan 8.150 nan 0.000 0.443 522 Y N -1.058 119.371 120.300 0.215 0.000 2.128 522 Y HA -0.295 4.255 4.550 0.001 0.000 0.284 522 Y C 2.180 178.094 175.900 0.023 0.000 1.154 522 Y CA 1.915 60.070 58.100 0.092 0.000 1.149 522 Y CB -0.933 37.676 38.460 0.248 0.000 0.976 522 Y HN 0.426 nan 8.280 nan 0.000 0.505 523 Y N 0.522 120.724 120.300 -0.163 0.000 2.030 523 Y HA -0.370 4.181 4.550 0.001 0.000 0.272 523 Y C 2.307 178.070 175.900 -0.230 0.000 1.185 523 Y CA 2.473 60.457 58.100 -0.193 0.000 1.120 523 Y CB -0.834 37.614 38.460 -0.019 0.000 0.955 523 Y HN 0.212 nan 8.280 nan 0.000 0.495 524 L N -0.670 120.350 121.223 -0.339 0.000 2.017 524 L HA -0.262 4.078 4.340 0.001 0.000 0.208 524 L C 2.805 179.461 176.870 -0.357 0.000 1.073 524 L CA 1.203 55.778 54.840 -0.442 0.000 0.745 524 L CB -1.199 40.512 42.059 -0.579 0.000 0.894 524 L HN 0.394 nan 8.230 nan 0.000 0.432 525 A N 1.286 123.879 122.820 -0.379 0.000 1.873 525 A HA -0.276 4.045 4.320 0.001 0.000 0.218 525 A C 2.274 179.615 177.584 -0.406 0.000 1.193 525 A CA 2.396 54.180 52.037 -0.422 0.000 0.629 525 A CB -0.598 17.952 19.000 -0.750 0.000 0.826 525 A HN 0.557 nan 8.150 nan 0.000 0.447 526 K N -1.292 118.797 120.400 -0.518 0.000 2.439 526 K HA -0.092 4.229 4.320 0.001 0.000 0.197 526 K C 0.703 176.976 176.600 -0.545 0.000 1.041 526 K CA 1.472 57.449 56.287 -0.517 0.000 0.970 526 K CB -0.327 31.781 32.500 -0.653 0.000 0.773 526 K HN 0.602 nan 8.250 nan 0.000 0.479 527 H N 0.038 118.849 119.070 -0.432 0.000 2.517 527 H HA 0.221 4.778 4.556 0.001 0.000 0.282 527 H C 0.612 175.778 175.328 -0.270 0.000 1.023 527 H CA 0.498 56.326 56.048 -0.366 0.000 1.169 527 H CB 0.952 30.429 29.762 -0.474 0.000 1.454 527 H HN 0.526 nan 8.280 nan 0.000 0.556 528 G N 1.073 109.764 108.800 -0.182 0.000 2.225 528 G HA2 -0.295 3.666 3.960 0.001 0.000 0.267 528 G HA3 -0.295 3.666 3.960 0.001 0.000 0.267 528 G C 0.077 174.907 174.900 -0.116 0.000 1.024 528 G CA 0.192 45.208 45.100 -0.141 0.000 0.784 528 G HN 0.204 nan 8.290 nan 0.000 0.507 529 K N -0.738 119.577 120.400 -0.142 0.000 2.280 529 K HA 0.798 5.119 4.320 0.001 0.000 0.234 529 K C 0.576 177.103 176.600 -0.120 0.000 1.028 529 K CA -0.734 55.476 56.287 -0.128 0.000 0.882 529 K CB 1.544 33.949 32.500 -0.159 0.000 1.194 529 K HN 0.312 nan 8.250 nan 0.000 0.458 530 R N -0.483 119.968 120.500 -0.081 0.000 2.836 530 R HA 0.302 4.643 4.340 0.001 0.000 0.269 530 R C 0.662 176.964 176.300 0.003 0.000 1.010 530 R CA -0.613 55.484 56.100 -0.005 0.000 0.930 530 R CB 0.879 31.213 30.300 0.057 0.000 1.218 530 R HN 0.490 nan 8.270 nan 0.000 0.473 531 Y N 0.005 120.333 120.300 0.047 0.000 2.220 531 Y HA -0.190 4.360 4.550 0.001 0.000 0.291 531 Y C 2.434 178.393 175.900 0.098 0.000 1.129 531 Y CA 2.059 60.224 58.100 0.107 0.000 1.161 531 Y CB 0.235 38.793 38.460 0.162 0.000 0.997 531 Y HN 0.601 nan 8.280 nan 0.000 0.522 532 S N -0.993 114.852 115.700 0.242 0.000 2.528 532 S HA -0.051 4.420 4.470 0.001 0.000 0.219 532 S C 0.899 175.565 174.600 0.110 0.000 0.985 532 S CA 0.723 59.023 58.200 0.167 0.000 0.914 532 S CB -0.197 63.079 63.200 0.127 0.000 0.776 532 S HN 0.554 nan 8.310 nan 0.000 0.526 533 D N -0.320 120.130 120.400 0.084 0.000 2.431 533 D HA 0.295 4.935 4.640 0.001 0.000 0.213 533 D C 1.287 177.607 176.300 0.034 0.000 1.130 533 D CA 0.336 54.369 54.000 0.054 0.000 0.834 533 D CB -0.394 40.432 40.800 0.043 0.000 0.985 533 D HN 0.457 nan 8.370 nan 0.000 0.504 534 G N 0.734 109.551 108.800 0.029 0.000 2.148 534 G HA2 -0.358 3.602 3.960 0.001 0.000 0.254 534 G HA3 -0.358 3.602 3.960 0.001 0.000 0.254 534 G C 1.119 176.014 174.900 -0.009 0.000 0.981 534 G CA 0.833 45.934 45.100 0.001 0.000 0.670 534 G HN 0.655 nan 8.290 nan 0.000 0.528 535 S N -1.162 114.533 115.700 -0.008 0.000 2.496 535 S HA 0.488 4.958 4.470 0.001 0.000 0.224 535 S C 2.151 176.729 174.600 -0.037 0.000 0.996 535 S CA 1.120 59.306 58.200 -0.022 0.000 0.927 535 S CB 0.291 63.477 63.200 -0.023 0.000 0.774 535 S HN 1.611 nan 8.310 nan 0.000 0.524 536 A N 1.385 124.180 122.820 -0.040 0.000 2.308 536 A HA 0.311 4.631 4.320 0.001 0.000 0.217 536 A C 1.695 179.289 177.584 0.015 0.000 1.216 536 A CA 0.035 52.045 52.037 -0.045 0.000 0.864 536 A CB -0.454 18.483 19.000 -0.104 0.000 0.902 536 A HN 0.416 nan 8.150 nan 0.000 0.499 537 N N 1.650 120.352 118.700 0.003 0.000 2.036 537 N HA -0.170 4.570 4.740 0.001 0.000 0.195 537 N C 1.342 176.887 175.510 0.057 0.000 1.037 537 N CA 1.881 54.938 53.050 0.010 0.000 0.855 537 N CB -0.291 38.176 38.487 -0.033 0.000 1.033 537 N HN 0.457 nan 8.380 nan 0.000 0.423 538 N N 0.231 118.952 118.700 0.034 0.000 2.216 538 N HA -0.062 4.678 4.740 0.001 0.000 0.183 538 N C 1.695 177.277 175.510 0.119 0.000 1.017 538 N CA 0.262 53.344 53.050 0.053 0.000 0.861 538 N CB -0.453 38.035 38.487 0.001 0.000 0.986 538 N HN 0.178 nan 8.380 nan 0.000 0.428 539 L N 1.327 122.597 121.223 0.077 0.000 2.046 539 L HA -0.076 4.264 4.340 0.001 0.000 0.208 539 L C 1.855 178.858 176.870 0.222 0.000 1.077 539 L CA 1.711 56.597 54.840 0.077 0.000 0.747 539 L CB -1.138 40.892 42.059 -0.048 0.000 0.896 539 L HN 0.060 nan 8.230 nan 0.000 0.432 540 T N -1.298 113.424 114.554 0.280 0.000 2.746 540 T HA -0.218 4.132 4.350 0.001 0.000 0.267 540 T C 1.831 176.785 174.700 0.423 0.000 1.039 540 T CA 1.488 63.844 62.100 0.427 0.000 1.142 540 T CB -0.511 68.542 68.868 0.309 0.000 0.866 540 T HN 0.517 nan 8.240 nan 0.000 0.444 541 H N 1.650 120.853 119.070 0.222 0.000 2.290 541 H HA -0.037 4.519 4.556 0.001 0.000 0.298 541 H C 2.445 177.897 175.328 0.207 0.000 1.087 541 H CA 1.966 58.169 56.048 0.257 0.000 1.291 541 H CB -0.176 29.683 29.762 0.161 0.000 1.369 541 H HN 0.312 nan 8.280 nan 0.000 0.492 542 K N -0.326 120.297 120.400 0.372 0.000 2.032 542 K HA -0.119 4.201 4.320 0.001 0.000 0.209 542 K C 2.173 178.841 176.600 0.113 0.000 1.048 542 K CA 1.903 58.352 56.287 0.271 0.000 0.927 542 K CB -0.009 32.613 32.500 0.203 0.000 0.712 542 K HN 0.216 nan 8.250 nan 0.000 0.441 543 T N 0.313 114.937 114.554 0.117 0.000 2.708 543 T HA -0.101 4.250 4.350 0.001 0.000 0.266 543 T C 1.434 175.970 174.700 -0.275 0.000 1.037 543 T CA 1.527 63.598 62.100 -0.049 0.000 1.146 543 T CB -0.249 68.618 68.868 -0.000 0.000 0.865 543 T HN 0.198 nan 8.240 nan 0.000 0.435 544 F N 0.976 120.832 119.950 -0.157 0.000 2.615 544 F HA 0.193 4.721 4.527 0.001 0.000 0.297 544 F C 2.412 177.769 175.800 -0.737 0.000 1.124 544 F CA 0.181 58.031 58.000 -0.250 0.000 1.451 544 F CB -0.107 38.860 39.000 -0.056 0.000 1.103 544 F HN 0.159 nan 8.300 nan 0.000 0.569 545 E N 0.913 120.522 120.200 -0.985 0.000 2.031 545 E HA -0.231 4.119 4.350 0.001 0.000 0.193 545 E C 2.427 178.829 176.600 -0.331 0.000 0.994 545 E CA 1.177 56.914 56.400 -1.105 0.000 0.800 545 E CB -0.126 29.279 29.700 -0.492 0.000 0.752 545 E HN 0.317 nan 8.360 nan 0.000 0.447 546 A N 1.200 123.898 122.820 -0.202 0.000 1.908 546 A HA -0.196 4.125 4.320 0.001 0.000 0.218 546 A C 2.202 179.661 177.584 -0.209 0.000 1.181 546 A CA 1.522 53.413 52.037 -0.243 0.000 0.627 546 A CB -0.708 18.288 19.000 -0.006 0.000 0.818 546 A HN 0.321 nan 8.150 nan 0.000 0.445 547 I N -1.070 119.383 120.570 -0.196 0.000 2.127 547 I HA -0.297 3.873 4.170 0.001 0.000 0.241 547 I C 2.808 178.928 176.117 0.005 0.000 1.075 547 I CA 1.952 63.183 61.300 -0.115 0.000 1.334 547 I CB -0.284 37.631 38.000 -0.143 0.000 1.040 547 I HN 0.386 nan 8.210 nan 0.000 0.405 548 Q N 0.117 119.944 119.800 0.044 0.000 2.079 548 Q HA -0.251 4.089 4.340 0.001 0.000 0.200 548 Q C 2.082 178.099 176.000 0.027 0.000 0.974 548 Q CA 1.740 57.644 55.803 0.167 0.000 0.840 548 Q CB -0.570 28.419 28.738 0.420 0.000 0.898 548 Q HN 0.552 nan 8.270 nan 0.000 0.430 549 Y N -0.551 119.573 120.300 -0.294 0.000 2.097 549 Y HA -0.301 4.249 4.550 0.001 0.000 0.282 549 Y C 1.484 177.033 175.900 -0.585 0.000 1.152 549 Y CA 2.064 59.710 58.100 -0.757 0.000 1.136 549 Y CB -0.442 37.320 38.460 -1.163 0.000 0.975 549 Y HN 0.195 nan 8.280 nan 0.000 0.498 550 Y N -0.272 119.799 120.300 -0.383 0.000 2.373 550 Y HA -0.135 4.415 4.550 0.001 0.000 0.293 550 Y C 2.353 178.097 175.900 -0.260 0.000 1.129 550 Y CA 1.010 58.885 58.100 -0.376 0.000 1.226 550 Y CB -0.628 37.668 38.460 -0.275 0.000 1.000 550 Y HN 0.170 nan 8.280 nan 0.000 0.549 551 L N -1.062 120.154 121.223 -0.012 0.000 2.056 551 L HA -0.226 4.115 4.340 0.001 0.000 0.207 551 L C 2.206 179.023 176.870 -0.088 0.000 1.078 551 L CA 1.117 55.971 54.840 0.023 0.000 0.749 551 L CB -0.598 41.522 42.059 0.101 0.000 0.901 551 L HN 0.240 nan 8.230 nan 0.000 0.433 552 L N -0.217 120.897 121.223 -0.181 0.000 2.017 552 L HA -0.259 4.082 4.340 0.001 0.000 0.208 552 L C 2.677 179.366 176.870 -0.302 0.000 1.073 552 L CA 1.424 56.110 54.840 -0.257 0.000 0.745 552 L CB -0.444 41.444 42.059 -0.286 0.000 0.894 552 L HN 0.234 nan 8.230 nan 0.000 0.432 553 K N 0.135 120.277 120.400 -0.429 0.000 2.063 553 K HA -0.203 4.117 4.320 0.001 0.000 0.208 553 K C 2.080 178.556 176.600 -0.206 0.000 1.048 553 K CA 1.437 57.488 56.287 -0.394 0.000 0.928 553 K CB -0.092 32.075 32.500 -0.555 0.000 0.713 553 K HN 0.289 nan 8.250 nan 0.000 0.442 554 A N -0.006 122.732 122.820 -0.136 0.000 1.898 554 A HA -0.133 4.187 4.320 0.001 0.000 0.216 554 A C 2.175 179.718 177.584 -0.069 0.000 1.181 554 A CA 1.991 53.990 52.037 -0.062 0.000 0.620 554 A CB -0.807 18.191 19.000 -0.004 0.000 0.819 554 A HN 0.393 nan 8.150 nan 0.000 0.442 555 S N -0.405 115.238 115.700 -0.095 0.000 2.402 555 S HA -0.162 4.308 4.470 0.001 0.000 0.229 555 S C 2.007 176.522 174.600 -0.141 0.000 1.021 555 S CA 1.332 59.469 58.200 -0.106 0.000 0.974 555 S CB -0.616 62.512 63.200 -0.119 0.000 0.800 555 S HN 0.744 nan 8.310 nan 0.000 0.484 556 N N 0.143 118.743 118.700 -0.167 0.000 2.058 556 N HA -0.131 4.609 4.740 0.001 0.000 0.191 556 N C 1.551 176.969 175.510 -0.153 0.000 1.037 556 N CA 1.276 54.223 53.050 -0.172 0.000 0.848 556 N CB -0.106 38.275 38.487 -0.177 0.000 1.021 556 N HN 0.356 nan 8.380 nan 0.000 0.422 557 E N 1.051 121.169 120.200 -0.138 0.000 2.085 557 E HA -0.196 4.154 4.350 0.001 0.000 0.194 557 E C 2.046 178.596 176.600 -0.084 0.000 0.994 557 E CA 0.597 56.929 56.400 -0.114 0.000 0.801 557 E CB -0.490 29.163 29.700 -0.077 0.000 0.743 557 E HN 0.369 nan 8.360 nan 0.000 0.453 558 L N 0.936 122.118 121.223 -0.069 0.000 2.083 558 L HA -0.064 4.276 4.340 0.001 0.000 0.209 558 L C 2.181 179.001 176.870 -0.084 0.000 1.083 558 L CA 1.896 56.703 54.840 -0.056 0.000 0.752 558 L CB -0.704 41.331 42.059 -0.039 0.000 0.899 558 L HN 0.039 nan 8.230 nan 0.000 0.433 559 A N -0.792 121.961 122.820 -0.112 0.000 1.972 559 A HA -0.206 4.114 4.320 0.001 0.000 0.219 559 A C 2.317 179.848 177.584 -0.088 0.000 1.169 559 A CA 1.750 53.712 52.037 -0.126 0.000 0.635 559 A CB -0.440 18.443 19.000 -0.196 0.000 0.810 559 A HN 0.511 nan 8.150 nan 0.000 0.446 560 K N -0.658 119.691 120.400 -0.085 0.000 2.025 560 K HA -0.153 4.167 4.320 0.001 0.000 0.207 560 K C 2.135 178.703 176.600 -0.053 0.000 1.049 560 K CA 1.476 57.725 56.287 -0.064 0.000 0.933 560 K CB -0.132 32.282 32.500 -0.143 0.000 0.714 560 K HN 0.677 nan 8.250 nan 0.000 0.438 561 E N 0.689 120.850 120.200 -0.066 0.000 2.106 561 E HA -0.184 4.167 4.350 0.001 0.000 0.192 561 E C 1.429 177.982 176.600 -0.078 0.000 0.984 561 E CA 1.189 57.550 56.400 -0.065 0.000 0.806 561 E CB 0.337 30.000 29.700 -0.061 0.000 0.750 561 E HN 0.291 nan 8.360 nan 0.000 0.458 562 Q N -1.412 118.338 119.800 -0.083 0.000 2.179 562 Q HA 0.248 4.588 4.340 0.001 0.000 0.244 562 Q C -0.390 175.565 176.000 -0.076 0.000 0.808 562 Q CA 0.239 55.987 55.803 -0.091 0.000 0.955 562 Q CB 2.295 30.965 28.738 -0.114 0.000 1.141 562 Q HN 0.249 nan 8.270 nan 0.000 0.485 563 G N 1.342 110.099 108.800 -0.072 0.000 2.911 563 G HA2 0.091 4.051 3.960 0.001 0.000 0.686 563 G HA3 0.091 4.051 3.960 0.001 0.000 0.686 563 G C -0.457 174.386 174.900 -0.094 0.000 1.136 563 G CA -0.565 44.493 45.100 -0.069 0.000 0.764 563 G HN 0.288 nan 8.290 nan 0.000 0.626 564 A N 1.049 123.794 122.820 -0.126 0.000 2.409 564 A HA 0.609 4.929 4.320 0.001 0.000 0.246 564 A C 1.646 179.191 177.584 -0.065 0.000 1.099 564 A CA 0.621 52.547 52.037 -0.184 0.000 0.789 564 A CB -0.261 18.521 19.000 -0.364 0.000 1.053 564 A HN 2.555 nan 8.150 nan 0.000 0.503 565 C N -0.335 118.957 119.300 -0.013 0.000 2.644 565 C HA 0.454 4.914 4.460 0.001 0.000 0.417 565 C C -1.091 173.954 174.990 0.091 0.000 1.304 565 C CA -1.157 57.876 59.018 0.025 0.000 2.035 565 C CB -0.031 27.740 27.740 0.052 0.000 2.673 565 C HN 0.678 nan 8.230 nan 0.000 0.602 566 P HA -0.140 nan 4.420 nan 0.000 0.218 566 P C 0.617 178.119 177.300 0.337 0.000 1.154 566 P CA 1.952 65.100 63.100 0.079 0.000 0.872 566 P CB -0.080 31.548 31.700 -0.120 0.000 0.790 567 W N -1.974 119.398 121.300 0.120 0.000 3.213 567 W HA 0.332 4.993 4.660 0.001 0.000 0.430 567 W C 1.225 177.847 176.519 0.172 0.000 0.975 567 W CA -1.347 56.071 57.345 0.123 0.000 2.015 567 W CB -1.808 27.708 29.460 0.093 0.000 1.047 567 W HN -0.050 nan 8.180 nan 0.000 0.797 568 F N 3.037 123.131 119.950 0.240 0.000 2.269 568 F HA -0.259 4.268 4.527 0.000 0.000 0.301 568 F C 2.024 177.918 175.800 0.158 0.000 1.082 568 F CA 1.848 59.949 58.000 0.169 0.000 1.360 568 F CB -0.233 38.827 39.000 0.101 0.000 1.041 568 F HN -0.052 nan 8.300 nan 0.000 0.512 569 N N 0.498 119.234 118.700 0.060 0.000 2.519 569 N HA -0.189 4.551 4.740 0.001 0.000 0.186 569 N C 0.952 176.419 175.510 -0.072 0.000 1.062 569 N CA 1.263 54.285 53.050 -0.047 0.000 0.910 569 N CB -0.732 37.790 38.487 0.057 0.000 0.958 569 N HN 0.547 nan 8.380 nan 0.000 0.445 570 E N 0.697 120.895 120.200 -0.002 0.000 2.478 570 E HA -0.011 4.339 4.350 0.001 0.000 0.194 570 E C 0.379 177.007 176.600 0.048 0.000 1.045 570 E CA 0.194 56.620 56.400 0.044 0.000 0.868 570 E CB 0.252 30.024 29.700 0.119 0.000 0.885 570 E HN 0.486 nan 8.360 nan 0.000 0.505 571 T N -1.006 113.480 114.554 -0.114 0.000 2.899 571 T HA 0.096 4.447 4.350 0.001 0.000 0.284 571 T C 1.514 176.083 174.700 -0.218 0.000 1.004 571 T CA -0.215 61.766 62.100 -0.197 0.000 1.043 571 T CB 1.622 70.319 68.868 -0.284 0.000 1.013 571 T HN -0.017 nan 8.240 nan 0.000 0.518 572 T N -0.841 113.576 114.554 -0.228 0.000 2.904 572 T HA -0.113 4.238 4.350 0.001 0.000 0.267 572 T C 1.469 176.046 174.700 -0.205 0.000 1.059 572 T CA 0.734 62.703 62.100 -0.218 0.000 1.137 572 T CB -0.911 67.800 68.868 -0.262 0.000 0.879 572 T HN 0.642 nan 8.240 nan 0.000 0.467 573 Y N 2.398 122.604 120.300 -0.157 0.000 2.151 573 Y HA 0.020 4.570 4.550 0.001 0.000 0.284 573 Y C 3.034 178.884 175.900 -0.084 0.000 1.166 573 Y CA 0.678 58.745 58.100 -0.055 0.000 1.163 573 Y CB -1.077 37.412 38.460 0.049 0.000 0.974 573 Y HN 0.344 nan 8.280 nan 0.000 0.511 574 A N -0.326 122.317 122.820 -0.296 0.000 2.076 574 A HA -0.182 4.138 4.320 0.001 0.000 0.220 574 A C 1.911 179.473 177.584 -0.037 0.000 1.160 574 A CA 1.552 53.389 52.037 -0.334 0.000 0.653 574 A CB -0.467 18.151 19.000 -0.636 0.000 0.801 574 A HN 0.419 nan 8.150 nan 0.000 0.455 575 K N -1.500 118.875 120.400 -0.041 0.000 2.437 575 K HA 0.289 4.609 4.320 0.001 0.000 0.205 575 K C 0.870 177.489 176.600 0.031 0.000 1.026 575 K CA 0.399 56.682 56.287 -0.006 0.000 1.153 575 K CB 0.035 32.515 32.500 -0.034 0.000 0.863 575 K HN 0.565 nan 8.250 nan 0.000 0.502 576 G N 1.681 110.528 108.800 0.079 0.000 2.155 576 G HA2 -0.275 3.685 3.960 0.001 0.000 0.257 576 G HA3 -0.275 3.685 3.960 0.001 0.000 0.257 576 G C 0.065 175.017 174.900 0.085 0.000 0.983 576 G CA 0.004 45.169 45.100 0.109 0.000 0.676 576 G HN 0.284 nan 8.290 nan 0.000 0.528 577 I N 0.737 121.322 120.570 0.026 0.000 2.331 577 I HA 0.513 4.683 4.170 0.001 0.000 0.292 577 I C 0.721 176.787 176.117 -0.084 0.000 0.998 577 I CA -0.694 60.587 61.300 -0.031 0.000 1.267 577 I CB 1.094 39.043 38.000 -0.085 0.000 1.386 577 I HN -0.010 nan 8.210 nan 0.000 0.476 578 L N 7.838 129.058 121.223 -0.006 0.000 2.313 578 L HA 0.476 4.817 4.340 0.001 0.000 0.268 578 L C -1.415 175.441 176.870 -0.025 0.000 1.010 578 L CA -1.571 53.294 54.840 0.042 0.000 0.814 578 L CB 1.448 43.676 42.059 0.282 0.000 1.304 578 L HN 0.349 nan 8.230 nan 0.000 0.441 579 P HA -0.183 nan 4.420 nan 0.000 0.217 579 P C 1.338 178.677 177.300 0.066 0.000 1.148 579 P CA 1.511 64.648 63.100 0.062 0.000 0.828 579 P CB -0.064 31.679 31.700 0.072 0.000 0.783 580 I N -3.675 116.820 120.570 -0.125 0.000 3.334 580 I HA -0.023 4.148 4.170 0.001 0.000 0.282 580 I C 0.935 177.085 176.117 0.054 0.000 1.313 580 I CA 1.229 62.433 61.300 -0.160 0.000 1.396 580 I CB -0.666 37.054 38.000 -0.467 0.000 1.054 580 I HN -0.247 nan 8.210 nan 0.000 0.495 581 D N 1.091 121.496 120.400 0.009 0.000 2.338 581 D HA -0.017 4.624 4.640 0.001 0.000 0.208 581 D C 1.943 178.153 176.300 -0.150 0.000 0.997 581 D CA 1.589 55.556 54.000 -0.055 0.000 0.880 581 D CB 0.303 41.082 40.800 -0.035 0.000 0.980 581 D HN 0.555 nan 8.370 nan 0.000 0.509 582 T N -1.780 112.723 114.554 -0.084 0.000 3.084 582 T HA 0.106 4.457 4.350 0.001 0.000 0.270 582 T C 0.716 175.231 174.700 -0.308 0.000 1.008 582 T CA -0.719 61.314 62.100 -0.112 0.000 0.900 582 T CB -0.645 68.261 68.868 0.063 0.000 1.084 582 T HN 0.091 nan 8.240 nan 0.000 0.538 583 Y N 1.094 121.095 120.300 -0.497 0.000 2.330 583 Y HA 0.645 5.195 4.550 0.001 0.000 0.341 583 Y C 0.442 176.026 175.900 -0.526 0.000 1.278 583 Y CA -1.836 55.735 58.100 -0.882 0.000 1.453 583 Y CB 0.439 38.481 38.460 -0.696 0.000 1.342 583 Y HN -0.176 nan 8.280 nan 0.000 0.590 584 K N 1.986 122.177 120.400 -0.349 0.000 2.402 584 K HA 0.072 4.393 4.320 0.001 0.000 0.285 584 K C 0.419 176.954 176.600 -0.109 0.000 1.054 584 K CA 0.064 56.185 56.287 -0.276 0.000 1.001 584 K CB 0.697 33.014 32.500 -0.306 0.000 0.946 584 K HN 0.698 nan 8.250 nan 0.000 0.473 585 K N 2.538 122.808 120.400 -0.216 0.000 2.152 585 K HA -0.144 4.177 4.320 0.001 0.000 0.206 585 K C 0.388 177.005 176.600 0.029 0.000 1.048 585 K CA 1.826 58.030 56.287 -0.138 0.000 0.933 585 K CB -0.105 32.294 32.500 -0.169 0.000 0.721 585 K HN 0.711 nan 8.250 nan 0.000 0.447 586 D N 0.013 120.429 120.400 0.026 0.000 2.265 586 D HA -0.148 4.492 4.640 0.001 0.000 0.208 586 D C 1.322 177.752 176.300 0.217 0.000 0.977 586 D CA 0.688 54.744 54.000 0.093 0.000 0.871 586 D CB -0.071 40.742 40.800 0.021 0.000 0.925 586 D HN 0.138 nan 8.370 nan 0.000 0.485 587 L N 0.575 121.918 121.223 0.199 0.000 2.191 587 L HA -0.156 4.184 4.340 0.001 0.000 0.212 587 L C 1.579 178.492 176.870 0.070 0.000 1.103 587 L CA 0.848 55.761 54.840 0.121 0.000 0.769 587 L CB -0.289 41.784 42.059 0.022 0.000 0.908 587 L HN 0.024 nan 8.230 nan 0.000 0.438 588 D N -0.433 120.037 120.400 0.116 0.000 2.221 588 D HA -0.169 4.471 4.640 0.001 0.000 0.204 588 D C 2.198 178.517 176.300 0.033 0.000 0.982 588 D CA 1.916 55.955 54.000 0.065 0.000 0.857 588 D CB -0.090 40.758 40.800 0.081 0.000 0.934 588 D HN 0.408 nan 8.370 nan 0.000 0.475 589 T N -1.426 113.168 114.554 0.066 0.000 3.088 589 T HA -0.002 4.349 4.350 0.001 0.000 0.259 589 T C 1.876 176.605 174.700 0.048 0.000 1.122 589 T CA 0.267 62.405 62.100 0.064 0.000 1.095 589 T CB -0.321 68.606 68.868 0.098 0.000 0.930 589 T HN 0.386 nan 8.240 nan 0.000 0.508 590 I N -2.214 118.365 120.570 0.015 0.000 4.227 590 I HA 0.750 4.920 4.170 0.001 0.000 0.334 590 I C 0.463 176.534 176.117 -0.077 0.000 1.341 590 I CA -1.033 60.237 61.300 -0.051 0.000 1.123 590 I CB 0.442 38.332 38.000 -0.184 0.000 1.097 590 I HN 0.232 nan 8.210 nan 0.000 0.399 591 A N 2.262 125.038 122.820 -0.074 0.000 2.547 591 A HA 0.647 4.967 4.320 0.001 0.000 0.297 591 A C -0.782 176.712 177.584 -0.150 0.000 1.056 591 A CA -0.519 51.455 52.037 -0.106 0.000 0.688 591 A CB 1.004 19.946 19.000 -0.096 0.000 1.282 591 A HN 0.360 nan 8.150 nan 0.000 0.400 592 N N 0.328 118.925 118.700 -0.172 0.000 2.184 592 N HA 0.170 4.910 4.740 0.001 0.000 0.234 592 N C -0.316 175.057 175.510 -0.229 0.000 1.282 592 N CA -0.196 52.748 53.050 -0.176 0.000 0.877 592 N CB 0.408 38.836 38.487 -0.099 0.000 1.184 592 N HN 0.611 nan 8.380 nan 0.000 0.510 593 E N 3.133 123.138 120.200 -0.324 0.000 2.493 593 E HA 0.100 4.450 4.350 0.001 0.000 0.255 593 E C -2.012 174.365 176.600 -0.371 0.000 0.999 593 E CA -1.337 54.889 56.400 -0.290 0.000 0.934 593 E CB 0.588 30.156 29.700 -0.220 0.000 0.940 593 E HN 0.279 nan 8.360 nan 0.000 0.473 594 P HA 0.048 nan 4.420 nan 0.000 0.274 594 P C -0.446 176.651 177.300 -0.337 0.000 1.237 594 P CA -0.233 62.701 63.100 -0.277 0.000 0.793 594 P CB 0.610 32.140 31.700 -0.283 0.000 0.977 595 L N 2.550 123.687 121.223 -0.143 0.000 2.453 595 L HA 0.059 4.399 4.340 0.001 0.000 0.272 595 L C 1.801 178.529 176.870 -0.238 0.000 1.182 595 L CA -0.019 54.808 54.840 -0.022 0.000 0.858 595 L CB -0.144 41.977 42.059 0.103 0.000 1.120 595 L HN 0.492 nan 8.230 nan 0.000 0.474 596 H N 1.934 121.011 119.070 0.012 0.000 2.705 596 H HA 0.179 4.735 4.556 0.001 0.000 0.269 596 H C -0.588 174.408 175.328 -0.553 0.000 0.998 596 H CA 0.161 56.038 56.048 -0.285 0.000 1.193 596 H CB 0.490 29.998 29.762 -0.424 0.000 1.485 596 H HN 0.410 nan 8.280 nan 0.000 0.521 597 Y N 0.496 120.760 120.300 -0.060 0.000 2.509 597 Y HA 0.175 4.725 4.550 0.001 0.000 0.341 597 Y C 0.448 176.219 175.900 -0.216 0.000 1.038 597 Y CA -1.265 56.563 58.100 -0.453 0.000 1.089 597 Y CB 1.257 38.913 38.460 -1.340 0.000 1.241 597 Y HN -0.133 nan 8.280 nan 0.000 0.468 598 D N 1.549 121.885 120.400 -0.107 0.000 2.498 598 D HA 0.007 4.647 4.640 0.001 0.000 0.229 598 D C -0.086 176.310 176.300 0.160 0.000 1.188 598 D CA 0.050 54.096 54.000 0.077 0.000 1.028 598 D CB -0.065 40.780 40.800 0.076 0.000 1.087 598 D HN 0.519 nan 8.370 nan 0.000 0.510 599 W N 1.569 122.964 121.300 0.157 0.000 2.519 599 W HA -0.010 4.651 4.660 0.001 0.000 0.266 599 W C 1.965 178.585 176.519 0.168 0.000 1.253 599 W CA -0.093 57.379 57.345 0.213 0.000 1.274 599 W CB 0.321 29.899 29.460 0.198 0.000 1.114 599 W HN 0.314 nan 8.180 nan 0.000 0.596 600 E N 0.117 120.507 120.200 0.316 0.000 2.072 600 E HA -0.112 4.238 4.350 0.001 0.000 0.190 600 E C 2.269 178.970 176.600 0.168 0.000 0.982 600 E CA 1.404 57.932 56.400 0.214 0.000 0.803 600 E CB -1.038 28.757 29.700 0.158 0.000 0.755 600 E HN 0.208 nan 8.360 nan 0.000 0.453 601 A N 1.457 124.366 122.820 0.149 0.000 1.877 601 A HA -0.167 4.153 4.320 0.001 0.000 0.216 601 A C 2.272 179.923 177.584 0.111 0.000 1.186 601 A CA 1.436 53.543 52.037 0.116 0.000 0.620 601 A CB -0.732 18.329 19.000 0.102 0.000 0.822 601 A HN 0.249 nan 8.150 nan 0.000 0.443 602 L N -0.092 121.199 121.223 0.113 0.000 2.127 602 L HA -0.140 4.200 4.340 0.001 0.000 0.211 602 L C 2.436 179.379 176.870 0.123 0.000 1.089 602 L CA 2.274 57.147 54.840 0.054 0.000 0.757 602 L CB -0.596 41.430 42.059 -0.055 0.000 0.899 602 L HN 0.489 nan 8.230 nan 0.000 0.434 603 R N -0.694 119.922 120.500 0.193 0.000 2.080 603 R HA -0.178 4.162 4.340 0.001 0.000 0.236 603 R C 2.074 178.473 176.300 0.166 0.000 1.137 603 R CA 1.751 57.978 56.100 0.210 0.000 0.943 603 R CB -0.130 30.296 30.300 0.211 0.000 0.846 603 R HN 0.386 nan 8.270 nan 0.000 0.431 604 E N 0.111 120.393 120.200 0.138 0.000 2.051 604 E HA -0.145 4.205 4.350 0.001 0.000 0.192 604 E C 1.941 178.620 176.600 0.131 0.000 0.991 604 E CA 1.236 57.706 56.400 0.118 0.000 0.799 604 E CB -0.601 29.159 29.700 0.100 0.000 0.748 604 E HN 0.224 nan 8.360 nan 0.000 0.449 605 S N 0.179 115.963 115.700 0.140 0.000 2.400 605 S HA -0.082 4.388 4.470 0.001 0.000 0.232 605 S C 1.995 176.714 174.600 0.199 0.000 1.025 605 S CA 0.650 58.968 58.200 0.196 0.000 0.993 605 S CB -0.136 63.114 63.200 0.084 0.000 0.808 605 S HN 0.167 nan 8.310 nan 0.000 0.478 606 I N 0.508 121.161 120.570 0.138 0.000 2.333 606 I HA -0.059 4.111 4.170 0.001 0.000 0.246 606 I C 2.581 178.825 176.117 0.210 0.000 1.106 606 I CA 0.908 62.292 61.300 0.140 0.000 1.411 606 I CB -0.237 37.873 38.000 0.182 0.000 1.082 606 I HN 0.235 nan 8.210 nan 0.000 0.420 607 K N 0.340 120.863 120.400 0.206 0.000 2.148 607 K HA -0.140 4.180 4.320 0.001 0.000 0.204 607 K C 1.945 178.615 176.600 0.116 0.000 1.050 607 K CA 1.601 58.008 56.287 0.200 0.000 0.942 607 K CB 0.080 32.666 32.500 0.143 0.000 0.724 607 K HN 0.272 nan 8.250 nan 0.000 0.446 608 T N -0.757 113.808 114.554 0.018 0.000 2.814 608 T HA -0.037 4.313 4.350 0.001 0.000 0.254 608 T C 1.202 175.723 174.700 -0.299 0.000 1.037 608 T CA 1.218 63.209 62.100 -0.182 0.000 1.143 608 T CB -0.182 68.478 68.868 -0.348 0.000 0.866 608 T HN 0.381 nan 8.240 nan 0.000 0.431 609 H N 0.134 119.180 119.070 -0.040 0.000 2.595 609 H HA 0.485 5.042 4.556 0.001 0.000 0.265 609 H C 1.401 176.583 175.328 -0.243 0.000 0.953 609 H CA 0.257 56.241 56.048 -0.106 0.000 1.197 609 H CB -0.006 29.698 29.762 -0.097 0.000 1.438 609 H HN 0.549 nan 8.280 nan 0.000 0.531 610 G N 0.310 108.956 108.800 -0.257 0.000 2.725 610 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 610 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 610 G C -0.935 173.486 174.900 -0.798 0.000 1.357 610 G CA -0.419 44.094 45.100 -0.978 0.000 0.866 610 G HN 0.205 nan 8.290 nan 0.000 0.548 611 L N -0.668 119.883 121.223 -1.119 0.000 2.381 611 L HA 0.606 4.946 4.340 0.001 0.000 0.268 611 L C 1.363 178.051 176.870 -0.304 0.000 0.997 611 L CA -0.966 53.603 54.840 -0.452 0.000 0.818 611 L CB 2.021 43.950 42.059 -0.217 0.000 1.310 611 L HN 0.698 nan 8.230 nan 0.000 0.416 612 R N 1.559 121.950 120.500 -0.181 0.000 2.148 612 R HA -0.005 4.335 4.340 0.001 0.000 0.227 612 R C -0.347 175.924 176.300 -0.049 0.000 1.103 612 R CA 1.233 57.267 56.100 -0.109 0.000 0.983 612 R CB -0.099 30.149 30.300 -0.088 0.000 0.874 612 R HN 0.682 nan 8.270 nan 0.000 0.451 613 N N -1.284 117.396 118.700 -0.034 0.000 2.352 613 N HA 0.191 4.931 4.740 0.001 0.000 0.291 613 N C -0.463 175.079 175.510 0.053 0.000 1.040 613 N CA -0.320 52.738 53.050 0.014 0.000 0.864 613 N CB 2.284 40.767 38.487 -0.006 0.000 1.440 613 N HN -0.171 nan 8.380 nan 0.000 0.483 614 S N -0.075 115.704 115.700 0.131 0.000 2.419 614 S HA -0.073 4.398 4.470 0.001 0.000 0.233 614 S C 0.890 175.507 174.600 0.028 0.000 1.016 614 S CA 1.090 59.375 58.200 0.141 0.000 0.974 614 S CB -0.181 63.203 63.200 0.307 0.000 0.786 614 S HN 0.830 nan 8.310 nan 0.000 0.492 615 T N -2.016 112.586 114.554 0.079 0.000 2.903 615 T HA 0.730 5.081 4.350 0.001 0.000 0.299 615 T C 0.166 174.896 174.700 0.050 0.000 1.093 615 T CA -0.820 61.322 62.100 0.070 0.000 1.002 615 T CB 1.700 70.648 68.868 0.133 0.000 1.127 615 T HN -0.039 nan 8.240 nan 0.000 0.488 616 L N 0.848 122.101 121.223 0.050 0.000 2.885 616 L HA 0.354 4.695 4.340 0.001 0.000 0.251 616 L C 0.832 177.734 176.870 0.054 0.000 1.071 616 L CA -0.097 54.766 54.840 0.038 0.000 0.956 616 L CB 0.609 42.681 42.059 0.021 0.000 1.483 616 L HN 0.892 nan 8.230 nan 0.000 0.525 617 S N 0.072 115.822 115.700 0.083 0.000 2.503 617 S HA 0.895 5.365 4.470 0.001 0.000 0.301 617 S C -0.488 174.159 174.600 0.079 0.000 1.087 617 S CA -0.319 57.937 58.200 0.094 0.000 1.042 617 S CB 2.515 65.806 63.200 0.152 0.000 1.043 617 S HN 0.147 nan 8.310 nan 0.000 0.489 618 A N 2.468 125.326 122.820 0.064 0.000 2.555 618 A HA 0.598 4.918 4.320 0.001 0.000 0.297 618 A C -1.317 176.293 177.584 0.044 0.000 1.060 618 A CA -0.836 51.230 52.037 0.048 0.000 0.710 618 A CB 0.879 19.899 19.000 0.034 0.000 1.282 618 A HN 0.870 nan 8.150 nan 0.000 0.399 619 L N 4.349 125.594 121.223 0.036 0.000 2.272 619 L HA 0.478 4.818 4.340 0.001 0.000 0.284 619 L C 0.416 177.298 176.870 0.021 0.000 1.045 619 L CA -0.526 54.336 54.840 0.037 0.000 0.842 619 L CB 0.959 43.031 42.059 0.022 0.000 1.224 619 L HN 0.838 nan 8.230 nan 0.000 0.430 620 M N 2.986 122.602 119.600 0.027 0.000 2.471 620 M HA 0.702 5.183 4.480 0.001 0.000 0.309 620 M C -2.753 173.566 176.300 0.032 0.000 1.186 620 M CA -2.122 53.188 55.300 0.015 0.000 1.008 620 M CB 0.353 32.963 32.600 0.015 0.000 1.551 620 M HN 0.025 nan 8.290 nan 0.000 0.477 621 P HA 0.364 nan 4.420 nan 0.000 0.278 621 P C -1.016 176.322 177.300 0.064 0.000 1.238 621 P CA -0.267 62.859 63.100 0.044 0.000 0.794 621 P CB 0.816 32.524 31.700 0.013 0.000 0.955 622 S N -0.213 115.538 115.700 0.086 0.000 2.570 622 S HA 0.660 5.130 4.470 0.001 0.000 0.286 622 S C 0.124 174.778 174.600 0.090 0.000 1.099 622 S CA -0.293 57.961 58.200 0.089 0.000 0.913 622 S CB 2.743 66.000 63.200 0.096 0.000 1.085 622 S HN 0.526 nan 8.310 nan 0.000 0.480 623 E N 1.206 121.455 120.200 0.082 0.000 3.902 623 E HA 0.140 4.490 4.350 0.001 0.000 0.247 623 E C 1.344 177.972 176.600 0.048 0.000 1.284 623 E CA 0.582 57.023 56.400 0.068 0.000 1.773 623 E CB -0.474 29.270 29.700 0.073 0.000 1.684 623 E HN 0.574 nan 8.360 nan 0.000 0.762 624 T N 0.618 115.205 114.554 0.055 0.000 2.652 624 T HA -0.148 4.202 4.350 0.001 0.000 0.267 624 T C 1.882 176.592 174.700 0.017 0.000 1.039 624 T CA 2.056 64.173 62.100 0.027 0.000 1.153 624 T CB -0.490 68.428 68.868 0.083 0.000 0.863 624 T HN 0.219 nan 8.240 nan 0.000 0.428 625 S N 2.156 117.911 115.700 0.092 0.000 2.383 625 S HA -0.106 4.364 4.470 0.001 0.000 0.227 625 S C 2.464 177.107 174.600 0.073 0.000 1.026 625 S CA 1.289 59.563 58.200 0.124 0.000 0.981 625 S CB -0.505 62.791 63.200 0.160 0.000 0.818 625 S HN 0.687 nan 8.310 nan 0.000 0.472 626 S N 1.811 117.548 115.700 0.062 0.000 2.453 626 S HA -0.030 4.441 4.470 0.001 0.000 0.231 626 S C 1.804 176.405 174.600 0.003 0.000 1.005 626 S CA 0.417 58.647 58.200 0.050 0.000 0.949 626 S CB -0.354 62.894 63.200 0.080 0.000 0.774 626 S HN 0.478 nan 8.310 nan 0.000 0.510 627 Q N 0.590 120.379 119.800 -0.017 0.000 2.083 627 Q HA 0.061 4.401 4.340 0.001 0.000 0.198 627 Q C 2.108 178.051 176.000 -0.094 0.000 0.969 627 Q CA 1.060 56.830 55.803 -0.056 0.000 0.838 627 Q CB -0.259 28.439 28.738 -0.068 0.000 0.900 627 Q HN 0.514 nan 8.270 nan 0.000 0.436 628 I N 0.430 120.938 120.570 -0.102 0.000 2.208 628 I HA -0.227 3.944 4.170 0.001 0.000 0.245 628 I C 1.815 177.803 176.117 -0.216 0.000 1.097 628 I CA 1.317 62.564 61.300 -0.087 0.000 1.363 628 I CB -0.777 37.213 38.000 -0.016 0.000 1.051 628 I HN 0.067 nan 8.210 nan 0.000 0.413 629 S N -0.027 115.517 115.700 -0.260 0.000 2.562 629 S HA -0.033 4.437 4.470 0.001 0.000 0.221 629 S C 0.784 175.182 174.600 -0.336 0.000 0.975 629 S CA -0.085 57.811 58.200 -0.507 0.000 0.918 629 S CB -0.565 62.533 63.200 -0.170 0.000 0.772 629 S HN 0.527 nan 8.310 nan 0.000 0.531 630 N N 1.116 119.708 118.700 -0.179 0.000 2.667 630 N HA -0.225 4.516 4.740 0.001 0.000 0.263 630 N C -0.501 174.972 175.510 -0.062 0.000 1.038 630 N CA 0.181 53.177 53.050 -0.089 0.000 0.749 630 N CB -0.803 37.650 38.487 -0.058 0.000 0.892 630 N HN 0.442 nan 8.380 nan 0.000 0.546 631 A N 1.132 123.942 122.820 -0.017 0.000 2.380 631 A HA 0.647 4.967 4.320 0.001 0.000 0.315 631 A C 0.518 178.166 177.584 0.106 0.000 1.101 631 A CA -0.021 52.044 52.037 0.047 0.000 0.771 631 A CB 1.144 20.195 19.000 0.084 0.000 1.287 631 A HN 0.497 nan 8.150 nan 0.000 0.436 632 T N -0.140 114.528 114.554 0.191 0.000 2.903 632 T HA 0.195 4.545 4.350 0.001 0.000 0.314 632 T C 0.062 174.887 174.700 0.209 0.000 1.078 632 T CA -0.132 62.102 62.100 0.223 0.000 1.114 632 T CB -0.378 68.695 68.868 0.343 0.000 0.987 632 T HN 0.564 nan 8.240 nan 0.000 0.548 633 N N 1.872 120.678 118.700 0.177 0.000 2.452 633 N HA 0.437 5.178 4.740 0.001 0.000 0.266 633 N C 1.476 177.106 175.510 0.201 0.000 1.175 633 N CA 0.483 53.628 53.050 0.159 0.000 0.945 633 N CB 0.418 38.978 38.487 0.122 0.000 1.063 633 N HN 1.034 nan 8.380 nan 0.000 0.472 634 G N 2.893 111.807 108.800 0.189 0.000 2.698 634 G HA2 -0.376 3.584 3.960 0.001 0.000 0.337 634 G HA3 -0.376 3.584 3.960 0.001 0.000 0.337 634 G C 0.786 175.862 174.900 0.293 0.000 1.286 634 G CA 1.152 46.373 45.100 0.200 0.000 1.000 634 G HN 0.754 nan 8.290 nan 0.000 0.547 635 I N -1.471 119.275 120.570 0.292 0.000 3.956 635 I HA 0.465 4.635 4.170 0.001 0.000 0.333 635 I C 0.164 176.654 176.117 0.622 0.000 1.302 635 I CA -0.075 61.487 61.300 0.436 0.000 1.122 635 I CB 0.354 38.433 38.000 0.132 0.000 1.013 635 I HN 0.051 nan 8.210 nan 0.000 0.405 636 E N 3.527 123.968 120.200 0.402 0.000 2.354 636 E HA 0.330 4.681 4.350 0.001 0.000 0.269 636 E C -2.308 174.393 176.600 0.169 0.000 1.036 636 E CA -2.369 54.177 56.400 0.244 0.000 0.876 636 E CB 0.285 30.052 29.700 0.111 0.000 1.009 636 E HN 0.102 nan 8.360 nan 0.000 0.416 637 P HA 0.154 nan 4.420 nan 0.000 0.276 637 P C -2.390 174.838 177.300 -0.120 0.000 1.230 637 P CA -1.249 61.721 63.100 -0.218 0.000 0.776 637 P CB -0.137 31.182 31.700 -0.635 0.000 0.888 638 P HA 0.137 nan 4.420 nan 0.000 0.269 638 P C 0.820 178.025 177.300 -0.157 0.000 1.209 638 P CA 0.037 63.099 63.100 -0.063 0.000 0.776 638 P CB 1.042 32.707 31.700 -0.058 0.000 0.876 639 R N 1.197 121.617 120.500 -0.134 0.000 2.073 639 R HA 0.031 4.371 4.340 0.001 0.000 0.234 639 R C 1.347 177.583 176.300 -0.106 0.000 1.134 639 R CA 1.737 57.762 56.100 -0.124 0.000 0.952 639 R CB -0.354 29.938 30.300 -0.014 0.000 0.850 639 R HN 0.686 nan 8.270 nan 0.000 0.433 640 G N -2.790 105.932 108.800 -0.130 0.000 2.721 640 G HA2 0.266 4.227 3.960 0.001 0.000 0.296 640 G HA3 0.266 4.227 3.960 0.001 0.000 0.296 640 G C -0.683 174.080 174.900 -0.229 0.000 1.383 640 G CA -0.679 44.290 45.100 -0.219 0.000 0.788 640 G HN -0.004 nan 8.290 nan 0.000 0.500 641 Y N -0.848 119.437 120.300 -0.026 0.000 2.314 641 Y HA 0.219 4.769 4.550 0.001 0.000 0.293 641 Y C 1.378 177.213 175.900 -0.108 0.000 1.129 641 Y CA 0.352 58.411 58.100 -0.068 0.000 1.201 641 Y CB 0.051 38.506 38.460 -0.009 0.000 0.999 641 Y HN 0.092 nan 8.280 nan 0.000 0.541 642 V N -0.403 119.541 119.914 0.050 0.000 2.448 642 V HA 0.370 4.490 4.120 0.001 0.000 0.295 642 V C -0.118 175.975 176.094 -0.001 0.000 1.025 642 V CA -1.096 61.203 62.300 -0.002 0.000 0.859 642 V CB 1.746 33.553 31.823 -0.027 0.000 0.988 642 V HN -0.094 nan 8.190 nan 0.000 0.431 643 S N 4.331 120.029 115.700 -0.004 0.000 2.525 643 S HA 0.765 5.236 4.470 0.001 0.000 0.290 643 S C -0.507 174.095 174.600 0.004 0.000 1.152 643 S CA -0.344 57.858 58.200 0.002 0.000 1.072 643 S CB 0.990 64.191 63.200 0.002 0.000 1.027 643 S HN 0.538 nan 8.310 nan 0.000 0.500 644 I N 3.280 123.855 120.570 0.009 0.000 2.447 644 I HA 0.402 4.572 4.170 0.001 0.000 0.287 644 I C -0.655 175.470 176.117 0.012 0.000 1.023 644 I CA -0.546 60.760 61.300 0.011 0.000 1.083 644 I CB 1.735 39.742 38.000 0.011 0.000 1.245 644 I HN 0.312 nan 8.210 nan 0.000 0.434 645 K N 4.429 124.835 120.400 0.010 0.000 2.164 645 K HA 0.796 5.116 4.320 0.001 0.000 0.258 645 K C -0.527 176.080 176.600 0.011 0.000 0.951 645 K CA -0.429 55.863 56.287 0.008 0.000 0.844 645 K CB 1.967 34.464 32.500 -0.004 0.000 1.099 645 K HN 0.593 nan 8.250 nan 0.000 0.435 646 A N 1.545 124.372 122.820 0.012 0.000 2.331 646 A HA 0.595 4.915 4.320 0.001 0.000 0.283 646 A C -0.458 177.132 177.584 0.011 0.000 1.142 646 A CA -0.206 51.839 52.037 0.013 0.000 0.812 646 A CB 0.238 19.246 19.000 0.013 0.000 1.074 646 A HN 0.690 nan 8.150 nan 0.000 0.497 647 S N 1.908 117.616 115.700 0.014 0.000 2.556 647 S HA 0.473 4.943 4.470 0.001 0.000 0.271 647 S C 0.814 175.424 174.600 0.017 0.000 1.135 647 S CA -0.350 57.856 58.200 0.011 0.000 0.858 647 S CB 1.453 64.654 63.200 0.002 0.000 1.114 647 S HN 0.840 nan 8.310 nan 0.000 0.468 648 K N 1.401 121.810 120.400 0.015 0.000 2.127 648 K HA -0.184 4.136 4.320 0.001 0.000 0.208 648 K C 0.346 176.961 176.600 0.026 0.000 1.047 648 K CA 2.071 58.369 56.287 0.018 0.000 0.927 648 K CB -1.223 31.286 32.500 0.016 0.000 0.716 648 K HN 0.718 nan 8.250 nan 0.000 0.450 649 D N 1.016 121.436 120.400 0.033 0.000 2.340 649 D HA 0.181 4.821 4.640 0.001 0.000 0.220 649 D C 0.876 177.214 176.300 0.063 0.000 1.039 649 D CA 1.007 55.037 54.000 0.051 0.000 0.866 649 D CB 0.496 41.334 40.800 0.063 0.000 0.913 649 D HN 0.527 nan 8.370 nan 0.000 0.523 650 G N 0.603 109.433 108.800 0.050 0.000 2.353 650 G HA2 -0.104 3.857 3.960 0.001 0.000 0.615 650 G HA3 -0.104 3.857 3.960 0.001 0.000 0.615 650 G C -0.924 174.007 174.900 0.051 0.000 1.280 650 G CA -1.054 44.075 45.100 0.047 0.000 1.000 650 G HN 0.097 nan 8.290 nan 0.000 0.516 651 I N 1.082 121.676 120.570 0.041 0.000 2.505 651 I HA 0.234 4.404 4.170 0.001 0.000 0.287 651 I C 0.560 176.721 176.117 0.072 0.000 1.104 651 I CA -0.029 61.294 61.300 0.038 0.000 1.387 651 I CB 0.417 38.426 38.000 0.016 0.000 1.404 651 I HN 0.262 nan 8.210 nan 0.000 0.528 652 L N 7.926 129.191 121.223 0.070 0.000 2.261 652 L HA 0.446 4.786 4.340 0.001 0.000 0.289 652 L C 0.245 177.154 176.870 0.065 0.000 1.059 652 L CA -0.386 54.514 54.840 0.101 0.000 0.816 652 L CB 0.324 42.399 42.059 0.026 0.000 1.191 652 L HN 0.567 nan 8.230 nan 0.000 0.431 653 R N 2.961 123.511 120.500 0.084 0.000 2.474 653 R HA 0.491 4.831 4.340 0.001 0.000 0.295 653 R C -0.707 175.612 176.300 0.031 0.000 0.980 653 R CA -0.575 55.546 56.100 0.035 0.000 0.934 653 R CB 2.115 32.419 30.300 0.006 0.000 1.101 653 R HN 0.526 nan 8.270 nan 0.000 0.469 654 Q N 2.289 122.089 119.800 0.000 0.000 2.274 654 Q HA 0.314 4.655 4.340 0.001 0.000 0.268 654 Q C -1.534 174.452 176.000 -0.024 0.000 1.015 654 Q CA -0.638 55.153 55.803 -0.019 0.000 0.775 654 Q CB 2.150 30.874 28.738 -0.025 0.000 1.256 654 Q HN 0.370 nan 8.270 nan 0.000 0.442 655 V N 3.953 123.846 119.914 -0.034 0.000 2.509 655 V HA 0.298 4.418 4.120 0.001 0.000 0.284 655 V C 0.516 176.620 176.094 0.018 0.000 1.047 655 V CA -0.744 61.539 62.300 -0.028 0.000 0.952 655 V CB 1.177 32.963 31.823 -0.061 0.000 0.988 655 V HN 0.702 nan 8.190 nan 0.000 0.469 656 V N 3.631 123.568 119.914 0.039 0.000 2.928 656 V HA 0.194 4.314 4.120 0.001 0.000 0.307 656 V C -1.880 174.300 176.094 0.143 0.000 1.105 656 V CA -1.129 61.202 62.300 0.051 0.000 1.223 656 V CB -0.364 31.389 31.823 -0.117 0.000 0.930 656 V HN 0.807 nan 8.190 nan 0.000 0.499 657 P HA 0.125 nan 4.420 nan 0.000 0.271 657 P C 0.007 177.448 177.300 0.236 0.000 1.216 657 P CA 0.465 63.592 63.100 0.044 0.000 0.771 657 P CB 0.388 31.886 31.700 -0.337 0.000 0.864 658 D N 1.296 121.851 120.400 0.259 0.000 2.708 658 D HA -0.276 4.364 4.640 0.001 0.000 0.236 658 D C 0.391 176.955 176.300 0.440 0.000 1.146 658 D CA 0.613 54.834 54.000 0.369 0.000 0.662 658 D CB -1.679 39.366 40.800 0.408 0.000 1.059 658 D HN 0.497 nan 8.370 nan 0.000 0.428 659 Y N 0.432 120.895 120.300 0.273 0.000 2.128 659 Y HA -0.220 4.330 4.550 0.001 0.000 0.284 659 Y C 2.210 178.243 175.900 0.222 0.000 1.154 659 Y CA 2.551 60.784 58.100 0.221 0.000 1.149 659 Y CB -0.177 38.317 38.460 0.057 0.000 0.976 659 Y HN 0.328 nan 8.280 nan 0.000 0.505 660 E N -0.902 119.430 120.200 0.220 0.000 2.136 660 E HA -0.309 4.041 4.350 0.001 0.000 0.202 660 E C 1.707 178.236 176.600 -0.118 0.000 1.019 660 E CA 1.987 58.393 56.400 0.010 0.000 0.819 660 E CB -0.283 29.382 29.700 -0.058 0.000 0.739 660 E HN 0.709 nan 8.360 nan 0.000 0.458 661 H N -1.585 117.534 119.070 0.082 0.000 2.639 661 H HA 0.135 4.691 4.556 0.001 0.000 0.267 661 H C 1.548 176.807 175.328 -0.115 0.000 0.958 661 H CA 0.435 56.480 56.048 -0.006 0.000 1.221 661 H CB 0.625 30.395 29.762 0.014 0.000 1.446 661 H HN 0.173 nan 8.280 nan 0.000 0.512 662 L N 1.598 122.854 121.223 0.055 0.000 2.906 662 L HA 0.056 4.396 4.340 0.001 0.000 0.255 662 L C 2.213 179.104 176.870 0.034 0.000 1.166 662 L CA -0.073 54.770 54.840 0.004 0.000 0.977 662 L CB -0.040 42.061 42.059 0.070 0.000 1.313 662 L HN 0.321 nan 8.230 nan 0.000 0.549 663 H N -0.609 118.372 119.070 -0.148 0.000 2.426 663 H HA -0.176 4.381 4.556 0.001 0.000 0.298 663 H C 0.527 175.878 175.328 0.039 0.000 1.107 663 H CA 1.594 57.456 56.048 -0.310 0.000 1.298 663 H CB -0.176 28.899 29.762 -1.145 0.000 1.377 663 H HN 0.350 nan 8.280 nan 0.000 0.519 664 D N 0.995 121.228 120.400 -0.277 0.000 2.305 664 D HA 0.143 4.783 4.640 0.001 0.000 0.206 664 D C 2.268 178.574 176.300 0.010 0.000 0.974 664 D CA 0.924 54.889 54.000 -0.058 0.000 0.871 664 D CB -0.022 40.690 40.800 -0.147 0.000 0.947 664 D HN 0.539 nan 8.370 nan 0.000 0.516 665 A N 0.310 123.110 122.820 -0.033 0.000 1.929 665 A HA -0.087 4.233 4.320 0.001 0.000 0.216 665 A C 0.659 178.248 177.584 0.008 0.000 1.176 665 A CA 0.403 52.404 52.037 -0.060 0.000 0.628 665 A CB -0.683 18.218 19.000 -0.165 0.000 0.816 665 A HN 0.104 nan 8.150 nan 0.000 0.444 666 Y N 0.428 120.803 120.300 0.124 0.000 2.683 666 Y HA 0.192 4.742 4.550 0.001 0.000 0.340 666 Y C 0.773 176.765 175.900 0.153 0.000 1.245 666 Y CA 0.795 59.007 58.100 0.185 0.000 1.485 666 Y CB 0.346 38.994 38.460 0.314 0.000 1.328 666 Y HN 0.416 nan 8.280 nan 0.000 0.603 667 E N 4.144 124.533 120.200 0.316 0.000 2.141 667 E HA 0.350 4.700 4.350 0.001 0.000 0.259 667 E C -1.334 175.332 176.600 0.110 0.000 0.883 667 E CA -0.482 56.038 56.400 0.200 0.000 0.744 667 E CB 0.387 30.206 29.700 0.199 0.000 1.150 667 E HN 0.590 nan 8.360 nan 0.000 0.420 668 L N 4.479 125.713 121.223 0.018 0.000 2.467 668 L HA 0.030 4.371 4.340 0.001 0.000 0.270 668 L C 1.677 178.443 176.870 -0.174 0.000 1.205 668 L CA -0.427 54.344 54.840 -0.114 0.000 0.828 668 L CB 0.216 42.158 42.059 -0.195 0.000 1.101 668 L HN 0.724 nan 8.230 nan 0.000 0.479 669 L N 1.896 122.926 121.223 -0.321 0.000 2.010 669 L HA -0.224 4.116 4.340 0.001 0.000 0.219 669 L C 1.659 178.198 176.870 -0.552 0.000 1.077 669 L CA 2.173 56.665 54.840 -0.581 0.000 0.773 669 L CB -0.469 41.067 42.059 -0.872 0.000 0.892 669 L HN 0.579 nan 8.230 nan 0.000 0.436 670 W N -0.562 120.691 121.300 -0.079 0.000 3.180 670 W HA 0.106 4.766 4.660 0.001 0.000 0.254 670 W C 1.987 178.483 176.519 -0.038 0.000 1.318 670 W CA -0.023 57.290 57.345 -0.054 0.000 1.608 670 W CB -0.118 29.320 29.460 -0.037 0.000 1.124 670 W HN 0.228 nan 8.180 nan 0.000 0.694 671 E N 0.269 120.527 120.200 0.096 0.000 2.474 671 E HA 0.041 4.392 4.350 0.001 0.000 0.194 671 E C 0.841 177.476 176.600 0.058 0.000 1.041 671 E CA 0.106 56.554 56.400 0.081 0.000 0.874 671 E CB 0.035 29.775 29.700 0.067 0.000 0.914 671 E HN 0.218 nan 8.360 nan 0.000 0.498 672 M N 1.677 121.290 119.600 0.022 0.000 2.227 672 M HA 0.063 4.543 4.480 0.001 0.000 0.349 672 M C -1.784 174.541 176.300 0.042 0.000 1.443 672 M CA -1.372 53.941 55.300 0.022 0.000 1.110 672 M CB 0.303 32.880 32.600 -0.038 0.000 1.773 672 M HN -0.205 nan 8.290 nan 0.000 0.463 673 P HA -0.070 nan 4.420 nan 0.000 0.219 673 P C 0.495 177.817 177.300 0.036 0.000 1.146 673 P CA 0.839 63.960 63.100 0.035 0.000 0.808 673 P CB 0.300 32.023 31.700 0.039 0.000 0.779 674 G N -2.348 106.480 108.800 0.046 0.000 2.489 674 G HA2 0.095 4.055 3.960 0.001 0.000 0.305 674 G HA3 0.095 4.055 3.960 0.001 0.000 0.305 674 G C -0.354 174.567 174.900 0.034 0.000 1.311 674 G CA -0.419 44.712 45.100 0.051 0.000 0.813 674 G HN -0.224 nan 8.290 nan 0.000 0.480 675 N N 0.202 118.926 118.700 0.040 0.000 2.353 675 N HA 0.029 4.770 4.740 0.001 0.000 0.185 675 N C 1.073 176.688 175.510 0.175 0.000 1.098 675 N CA 0.370 53.460 53.050 0.066 0.000 0.872 675 N CB 0.422 38.919 38.487 0.016 0.000 0.970 675 N HN 0.509 nan 8.380 nan 0.000 0.467 676 D N 1.021 121.520 120.400 0.166 0.000 2.106 676 D HA -0.142 4.498 4.640 0.001 0.000 0.191 676 D C 1.907 178.302 176.300 0.160 0.000 0.997 676 D CA 1.404 55.513 54.000 0.182 0.000 0.834 676 D CB -0.228 40.669 40.800 0.163 0.000 0.956 676 D HN 0.277 nan 8.370 nan 0.000 0.448 677 G N 0.055 108.948 108.800 0.154 0.000 2.440 677 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 677 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 677 G C 1.555 176.570 174.900 0.190 0.000 1.154 677 G CA 0.823 46.009 45.100 0.144 0.000 0.767 677 G HN 0.342 nan 8.290 nan 0.000 0.552 678 Y N 1.012 121.395 120.300 0.139 0.000 2.220 678 Y HA 0.081 4.631 4.550 0.001 0.000 0.291 678 Y C 2.547 178.516 175.900 0.115 0.000 1.129 678 Y CA 1.124 59.342 58.100 0.197 0.000 1.161 678 Y CB -0.197 38.360 38.460 0.162 0.000 0.997 678 Y HN 0.091 nan 8.280 nan 0.000 0.522 679 L N 0.293 121.625 121.223 0.181 0.000 2.079 679 L HA -0.283 4.057 4.340 0.001 0.000 0.210 679 L C 2.544 179.374 176.870 -0.067 0.000 1.081 679 L CA 1.683 56.568 54.840 0.075 0.000 0.752 679 L CB -0.651 41.543 42.059 0.225 0.000 0.896 679 L HN 0.348 nan 8.230 nan 0.000 0.433 680 Q N -0.255 119.464 119.800 -0.135 0.000 2.124 680 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 680 Q C 2.391 178.222 176.000 -0.281 0.000 0.977 680 Q CA 1.205 56.776 55.803 -0.388 0.000 0.850 680 Q CB -0.093 28.399 28.738 -0.409 0.000 0.901 680 Q HN 0.550 nan 8.270 nan 0.000 0.429 681 L N -0.147 120.965 121.223 -0.184 0.000 2.093 681 L HA -0.160 4.180 4.340 0.001 0.000 0.208 681 L C 2.327 179.007 176.870 -0.317 0.000 1.085 681 L CA 0.724 55.455 54.840 -0.182 0.000 0.755 681 L CB -0.440 41.585 42.059 -0.056 0.000 0.904 681 L HN 0.104 nan 8.230 nan 0.000 0.435 682 V N 0.225 119.918 119.914 -0.369 0.000 2.358 682 V HA -0.178 3.942 4.120 0.001 0.000 0.246 682 V C 2.656 178.595 176.094 -0.258 0.000 1.047 682 V CA 1.925 64.005 62.300 -0.367 0.000 1.035 682 V CB -1.161 30.454 31.823 -0.347 0.000 0.658 682 V HN 0.552 nan 8.190 nan 0.000 0.452 683 G N 0.065 108.746 108.800 -0.198 0.000 2.446 683 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 683 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 683 G C 1.587 176.368 174.900 -0.198 0.000 1.168 683 G CA 1.158 46.168 45.100 -0.150 0.000 0.771 683 G HN 0.485 nan 8.290 nan 0.000 0.551 684 I N 0.421 120.855 120.570 -0.227 0.000 2.208 684 I HA -0.220 3.950 4.170 0.001 0.000 0.245 684 I C 2.963 178.956 176.117 -0.208 0.000 1.097 684 I CA 1.159 62.347 61.300 -0.187 0.000 1.363 684 I CB -0.185 37.755 38.000 -0.100 0.000 1.051 684 I HN 0.187 nan 8.210 nan 0.000 0.413 685 M N -0.410 118.971 119.600 -0.365 0.000 2.108 685 M HA -0.264 4.216 4.480 0.001 0.000 0.261 685 M C 2.330 178.502 176.300 -0.213 0.000 1.066 685 M CA 1.695 56.672 55.300 -0.538 0.000 1.107 685 M CB -0.404 31.651 32.600 -0.909 0.000 1.356 685 M HN 0.116 nan 8.290 nan 0.000 0.406 686 Q N 0.913 120.605 119.800 -0.181 0.000 2.364 686 Q HA -0.136 4.204 4.340 0.001 0.000 0.209 686 Q C 1.703 177.716 176.000 0.022 0.000 0.977 686 Q CA 1.424 57.191 55.803 -0.061 0.000 0.885 686 Q CB -0.280 28.424 28.738 -0.057 0.000 0.941 686 Q HN 0.402 nan 8.270 nan 0.000 0.464 687 K N -1.217 119.080 120.400 -0.172 0.000 2.097 687 K HA -0.135 4.186 4.320 0.001 0.000 0.206 687 K C 0.800 177.208 176.600 -0.319 0.000 1.049 687 K CA 1.377 57.430 56.287 -0.390 0.000 0.933 687 K CB -0.034 31.908 32.500 -0.930 0.000 0.717 687 K HN 0.250 nan 8.250 nan 0.000 0.442 688 F N 0.561 120.524 119.950 0.022 0.000 2.678 688 F HA 0.225 4.753 4.527 0.001 0.000 0.291 688 F C 0.737 176.605 175.800 0.113 0.000 1.123 688 F CA -0.441 57.604 58.000 0.076 0.000 1.395 688 F CB 0.269 39.334 39.000 0.107 0.000 1.121 688 F HN -0.155 nan 8.300 nan 0.000 0.592 689 I N 1.661 122.366 120.570 0.225 0.000 2.556 689 I HA -0.049 4.121 4.170 0.001 0.000 0.284 689 I C 1.032 177.184 176.117 0.058 0.000 1.114 689 I CA 0.218 61.609 61.300 0.153 0.000 1.418 689 I CB 0.447 38.500 38.000 0.088 0.000 1.394 689 I HN 0.158 nan 8.210 nan 0.000 0.552 690 D N 4.171 124.619 120.400 0.080 0.000 2.117 690 D HA -0.098 4.543 4.640 0.001 0.000 0.198 690 D C 1.285 177.590 176.300 0.008 0.000 0.982 690 D CA 1.362 55.384 54.000 0.035 0.000 0.828 690 D CB 0.579 41.436 40.800 0.096 0.000 0.967 690 D HN 0.611 nan 8.370 nan 0.000 0.464 691 Q N -0.246 119.578 119.800 0.040 0.000 3.076 691 Q HA 0.341 4.681 4.340 0.001 0.000 0.212 691 Q C 0.447 176.461 176.000 0.024 0.000 1.168 691 Q CA -0.392 55.438 55.803 0.044 0.000 0.333 691 Q CB 0.592 29.364 28.738 0.057 0.000 5.777 691 Q HN -0.081 nan 8.270 nan 0.000 0.315 692 S N -1.114 114.600 115.700 0.022 0.000 2.900 692 S HA 0.687 5.157 4.470 0.001 0.000 0.320 692 S C -1.482 173.119 174.600 0.002 0.000 1.130 692 S CA -0.737 57.472 58.200 0.015 0.000 0.863 692 S CB 0.868 64.081 63.200 0.021 0.000 1.295 692 S HN 0.353 nan 8.310 nan 0.000 0.596 693 I N 1.287 121.853 120.570 -0.007 0.000 2.619 693 I HA 0.304 4.474 4.170 0.001 0.000 0.292 693 I C -0.413 175.695 176.117 -0.014 0.000 1.100 693 I CA -0.531 60.755 61.300 -0.023 0.000 1.043 693 I CB 2.375 40.336 38.000 -0.066 0.000 1.239 693 I HN 0.406 nan 8.210 nan 0.000 0.420 694 S N 4.755 120.445 115.700 -0.018 0.000 4.053 694 S HA 0.270 4.740 4.470 0.001 0.000 0.184 694 S C 0.496 175.116 174.600 0.032 0.000 1.324 694 S CA -0.457 57.718 58.200 -0.040 0.000 0.956 694 S CB -0.505 62.651 63.200 -0.073 0.000 1.503 694 S HN 0.612 nan 8.310 nan 0.000 0.440 695 A N 2.997 125.862 122.820 0.076 0.000 2.409 695 A HA 0.305 4.625 4.320 0.001 0.000 0.262 695 A C 0.474 178.201 177.584 0.239 0.000 1.113 695 A CA -0.449 51.717 52.037 0.214 0.000 0.790 695 A CB 0.226 19.335 19.000 0.182 0.000 1.046 695 A HN 0.665 nan 8.150 nan 0.000 0.496 696 N N 0.450 119.324 118.700 0.290 0.000 2.492 696 N HA 0.519 5.260 4.740 0.001 0.000 0.289 696 N C -0.282 175.298 175.510 0.117 0.000 1.133 696 N CA -0.225 52.924 53.050 0.165 0.000 0.961 696 N CB 1.618 40.134 38.487 0.048 0.000 1.186 696 N HN 0.763 nan 8.380 nan 0.000 0.493 697 T N -1.087 113.553 114.554 0.143 0.000 2.888 697 T HA 0.459 4.809 4.350 0.001 0.000 0.284 697 T C -0.658 174.031 174.700 -0.019 0.000 1.017 697 T CA -0.989 61.152 62.100 0.069 0.000 1.022 697 T CB 1.415 70.444 68.868 0.269 0.000 1.013 697 T HN 0.356 nan 8.240 nan 0.000 0.465 698 N N 1.236 119.757 118.700 -0.298 0.000 2.249 698 N HA 0.418 5.158 4.740 0.001 0.000 0.296 698 N C -1.850 173.467 175.510 -0.322 0.000 1.051 698 N CA -0.498 52.444 53.050 -0.180 0.000 0.815 698 N CB 2.360 40.627 38.487 -0.366 0.000 1.487 698 N HN 0.668 nan 8.380 nan 0.000 0.475 699 Y N -0.345 120.241 120.300 0.477 0.000 2.396 699 Y HA 0.196 4.746 4.550 0.001 0.000 0.332 699 Y C -0.613 175.495 175.900 0.348 0.000 1.034 699 Y CA -0.951 57.406 58.100 0.427 0.000 1.057 699 Y CB 1.900 40.534 38.460 0.289 0.000 1.220 699 Y HN 0.356 nan 8.280 nan 0.000 0.440 700 D N 4.843 125.493 120.400 0.416 0.000 2.392 700 D HA 0.336 4.976 4.640 0.001 0.000 0.228 700 D C -2.068 174.372 176.300 0.234 0.000 1.074 700 D CA -2.561 51.491 54.000 0.086 0.000 0.838 700 D CB 2.105 42.903 40.800 -0.004 0.000 1.067 700 D HN 0.180 nan 8.370 nan 0.000 0.511 701 P HA -0.184 nan 4.420 nan 0.000 0.216 701 P C 1.298 178.706 177.300 0.180 0.000 1.154 701 P CA 1.353 64.587 63.100 0.223 0.000 0.865 701 P CB 0.105 31.851 31.700 0.076 0.000 0.789 702 S N -1.076 114.652 115.700 0.047 0.000 2.537 702 S HA -0.094 4.376 4.470 0.001 0.000 0.240 702 S C 1.708 176.289 174.600 -0.030 0.000 0.981 702 S CA 0.642 58.845 58.200 0.005 0.000 0.948 702 S CB -0.821 62.358 63.200 -0.035 0.000 0.759 702 S HN 0.127 nan 8.310 nan 0.000 0.531 703 R N -0.604 119.841 120.500 -0.092 0.000 2.317 703 R HA 0.343 4.683 4.340 0.001 0.000 0.208 703 R C -0.791 175.211 176.300 -0.497 0.000 0.914 703 R CA 0.090 56.005 56.100 -0.307 0.000 1.060 703 R CB 0.139 30.177 30.300 -0.437 0.000 1.015 703 R HN 0.433 nan 8.270 nan 0.000 0.498 704 F N 0.514 120.493 119.950 0.048 0.000 2.522 704 F HA 0.375 4.902 4.527 0.001 0.000 0.324 704 F C -2.020 173.798 175.800 0.030 0.000 1.077 704 F CA -3.119 54.908 58.000 0.047 0.000 0.944 704 F CB 1.329 40.361 39.000 0.053 0.000 1.175 704 F HN -0.279 nan 8.300 nan 0.000 0.468 705 P HA 0.059 nan 4.420 nan 0.000 0.263 705 P C -0.083 177.285 177.300 0.112 0.000 1.195 705 P CA 0.613 63.791 63.100 0.131 0.000 0.762 705 P CB 0.539 32.308 31.700 0.116 0.000 0.799 706 S N 1.923 117.668 115.700 0.076 0.000 3.490 706 S HA -0.179 4.292 4.470 0.001 0.000 0.301 706 S C 1.267 175.904 174.600 0.061 0.000 1.233 706 S CA 0.895 59.128 58.200 0.055 0.000 0.914 706 S CB -2.395 60.830 63.200 0.042 0.000 1.047 706 S HN 1.074 nan 8.310 nan 0.000 0.602 707 G N 0.821 109.676 108.800 0.092 0.000 2.233 707 G HA2 -0.374 3.587 3.960 0.001 0.000 0.270 707 G HA3 -0.374 3.587 3.960 0.001 0.000 0.270 707 G C -0.226 174.730 174.900 0.093 0.000 1.011 707 G CA 1.033 46.193 45.100 0.101 0.000 0.762 707 G HN 1.188 nan 8.290 nan 0.000 0.511 708 K N -0.531 119.918 120.400 0.082 0.000 2.274 708 K HA 0.709 5.029 4.320 0.001 0.000 0.262 708 K C -0.120 176.401 176.600 -0.131 0.000 0.961 708 K CA -1.207 55.076 56.287 -0.007 0.000 0.833 708 K CB 2.839 35.326 32.500 -0.021 0.000 1.102 708 K HN 0.013 nan 8.250 nan 0.000 0.436 709 V N 4.769 124.526 119.914 -0.261 0.000 2.479 709 V HA 0.148 4.269 4.120 0.001 0.000 0.281 709 V C -1.695 174.099 176.094 -0.499 0.000 1.031 709 V CA -1.169 60.744 62.300 -0.644 0.000 1.038 709 V CB 0.040 31.567 31.823 -0.494 0.000 0.981 709 V HN 0.840 nan 8.190 nan 0.000 0.478 710 P HA 0.242 nan 4.420 nan 0.000 0.285 710 P C 0.503 177.667 177.300 -0.227 0.000 1.259 710 P CA -0.685 62.245 63.100 -0.283 0.000 0.794 710 P CB 1.139 32.727 31.700 -0.187 0.000 0.940 711 M N 2.843 122.361 119.600 -0.138 0.000 2.144 711 M HA -0.236 4.244 4.480 0.001 0.000 0.260 711 M C 2.033 178.301 176.300 -0.052 0.000 1.067 711 M CA 1.992 57.239 55.300 -0.089 0.000 1.095 711 M CB -1.127 31.447 32.600 -0.043 0.000 1.365 711 M HN 0.390 nan 8.290 nan 0.000 0.406 712 Q N -0.250 119.528 119.800 -0.037 0.000 2.112 712 Q HA -0.276 4.064 4.340 0.001 0.000 0.206 712 Q C 2.109 178.122 176.000 0.022 0.000 0.987 712 Q CA 2.486 58.289 55.803 -0.001 0.000 0.858 712 Q CB -0.386 28.358 28.738 0.011 0.000 0.905 712 Q HN 0.681 nan 8.270 nan 0.000 0.420 713 Q N -0.578 119.226 119.800 0.008 0.000 2.083 713 Q HA -0.001 4.340 4.340 0.001 0.000 0.198 713 Q C 1.921 177.981 176.000 0.100 0.000 0.969 713 Q CA 1.287 57.143 55.803 0.088 0.000 0.838 713 Q CB -0.220 28.594 28.738 0.128 0.000 0.900 713 Q HN 0.531 nan 8.270 nan 0.000 0.436 714 L N -0.269 120.929 121.223 -0.043 0.000 2.013 714 L HA -0.239 4.101 4.340 0.001 0.000 0.212 714 L C 2.267 179.196 176.870 0.098 0.000 1.073 714 L CA 1.313 56.135 54.840 -0.030 0.000 0.753 714 L CB -0.586 41.392 42.059 -0.134 0.000 0.890 714 L HN 0.281 nan 8.230 nan 0.000 0.432 715 L N -0.574 120.691 121.223 0.071 0.000 2.156 715 L HA -0.181 4.160 4.340 0.001 0.000 0.208 715 L C 2.663 179.582 176.870 0.082 0.000 1.095 715 L CA 1.009 55.899 54.840 0.082 0.000 0.770 715 L CB -0.434 41.643 42.059 0.029 0.000 0.914 715 L HN 0.241 nan 8.230 nan 0.000 0.439 716 K N 0.232 120.686 120.400 0.089 0.000 2.025 716 K HA -0.182 4.138 4.320 0.001 0.000 0.207 716 K C 1.629 178.307 176.600 0.130 0.000 1.049 716 K CA 1.601 57.943 56.287 0.091 0.000 0.933 716 K CB 0.066 32.626 32.500 0.100 0.000 0.714 716 K HN 0.185 nan 8.250 nan 0.000 0.438 717 D N 0.975 121.492 120.400 0.196 0.000 2.144 717 D HA -0.176 4.464 4.640 0.001 0.000 0.199 717 D C 1.818 178.247 176.300 0.215 0.000 0.984 717 D CA 0.719 54.859 54.000 0.234 0.000 0.834 717 D CB -0.157 40.841 40.800 0.330 0.000 0.955 717 D HN 0.141 nan 8.370 nan 0.000 0.465 718 L N 0.331 121.682 121.223 0.213 0.000 2.083 718 L HA -0.109 4.232 4.340 0.001 0.000 0.209 718 L C 2.060 179.011 176.870 0.135 0.000 1.083 718 L CA 1.311 56.288 54.840 0.228 0.000 0.752 718 L CB -0.214 42.015 42.059 0.284 0.000 0.899 718 L HN 0.025 nan 8.230 nan 0.000 0.433 719 L N -1.906 119.349 121.223 0.053 0.000 2.131 719 L HA -0.114 4.226 4.340 0.001 0.000 0.206 719 L C 2.312 179.161 176.870 -0.036 0.000 1.087 719 L CA 1.198 55.995 54.840 -0.071 0.000 0.767 719 L CB -0.912 41.096 42.059 -0.084 0.000 0.917 719 L HN 0.202 nan 8.230 nan 0.000 0.441 720 T N 0.301 114.869 114.554 0.024 0.000 2.652 720 T HA -0.236 4.114 4.350 0.001 0.000 0.267 720 T C 2.062 176.820 174.700 0.097 0.000 1.039 720 T CA 1.527 63.641 62.100 0.024 0.000 1.153 720 T CB -0.325 68.640 68.868 0.161 0.000 0.863 720 T HN 0.439 nan 8.240 nan 0.000 0.428 721 A N 0.769 123.698 122.820 0.182 0.000 1.881 721 A HA -0.245 4.075 4.320 0.001 0.000 0.219 721 A C 2.100 179.785 177.584 0.167 0.000 1.215 721 A CA 2.388 54.550 52.037 0.207 0.000 0.648 721 A CB -1.388 17.747 19.000 0.225 0.000 0.832 721 A HN 0.648 nan 8.150 nan 0.000 0.455 722 Y N 0.394 120.692 120.300 -0.002 0.000 2.181 722 Y HA -0.220 4.331 4.550 0.001 0.000 0.288 722 Y C 2.461 178.381 175.900 0.033 0.000 1.146 722 Y CA 2.468 60.561 58.100 -0.013 0.000 1.164 722 Y CB -0.185 38.020 38.460 -0.426 0.000 0.982 722 Y HN 0.350 nan 8.280 nan 0.000 0.515 723 K N -0.676 119.727 120.400 0.005 0.000 2.103 723 K HA -0.176 4.144 4.320 0.001 0.000 0.207 723 K C 1.024 177.447 176.600 -0.294 0.000 1.048 723 K CA 1.532 57.705 56.287 -0.191 0.000 0.930 723 K CB -0.357 31.898 32.500 -0.408 0.000 0.716 723 K HN 0.318 nan 8.250 nan 0.000 0.444 724 F N 0.038 119.947 119.950 -0.068 0.000 2.732 724 F HA 0.250 4.778 4.527 0.001 0.000 0.303 724 F C 1.323 176.997 175.800 -0.211 0.000 1.110 724 F CA 0.420 58.354 58.000 -0.110 0.000 1.355 724 F CB 0.558 39.523 39.000 -0.059 0.000 1.081 724 F HN 0.285 nan 8.300 nan 0.000 0.565 725 G N 0.215 108.884 108.800 -0.218 0.000 2.141 725 G HA2 -0.249 3.711 3.960 0.001 0.000 0.242 725 G HA3 -0.249 3.711 3.960 0.001 0.000 0.242 725 G C 0.104 174.841 174.900 -0.271 0.000 0.982 725 G CA 0.049 44.800 45.100 -0.581 0.000 0.662 725 G HN 0.115 nan 8.290 nan 0.000 0.527 726 V N 0.710 120.612 119.914 -0.019 0.000 2.529 726 V HA 0.152 4.272 4.120 0.001 0.000 0.292 726 V C 1.682 177.883 176.094 0.179 0.000 1.028 726 V CA 1.172 63.517 62.300 0.076 0.000 1.074 726 V CB 1.286 33.176 31.823 0.112 0.000 0.958 726 V HN 0.439 nan 8.190 nan 0.000 0.481 727 K N 2.191 122.674 120.400 0.138 0.000 2.186 727 K HA 0.069 4.389 4.320 0.001 0.000 0.202 727 K C 0.674 177.369 176.600 0.158 0.000 1.052 727 K CA 1.029 57.415 56.287 0.164 0.000 0.965 727 K CB 0.242 32.809 32.500 0.112 0.000 0.746 727 K HN 0.886 nan 8.250 nan 0.000 0.457 728 T N -1.728 112.909 114.554 0.140 0.000 2.900 728 T HA 0.598 4.949 4.350 0.001 0.000 0.303 728 T C -0.539 174.254 174.700 0.156 0.000 1.142 728 T CA -1.027 61.161 62.100 0.148 0.000 1.007 728 T CB 1.628 70.556 68.868 0.100 0.000 1.156 728 T HN -0.124 nan 8.240 nan 0.000 0.490 732 Q N 3.347 123.399 119.800 0.419 0.000 2.303 732 Q HA 0.463 4.803 4.340 0.001 0.000 0.257 732 Q C -1.168 174.996 176.000 0.273 0.000 0.941 732 Q CA -0.601 55.400 55.803 0.330 0.000 0.931 732 Q CB 0.754 29.675 28.738 0.306 0.000 1.215 732 Q HN 0.583 nan 8.270 nan 0.000 0.437 733 N N 2.804 121.672 118.700 0.279 0.000 2.419 733 N HA 0.309 5.050 4.740 0.001 0.000 0.277 733 N C -1.327 174.447 175.510 0.441 0.000 1.006 733 N CA -0.212 53.014 53.050 0.293 0.000 0.923 733 N CB 1.955 40.587 38.487 0.240 0.000 1.140 733 N HN 0.420 nan 8.380 nan 0.000 0.488 734 T N 1.048 115.796 114.554 0.323 0.000 2.770 734 T HA 0.293 4.643 4.350 0.001 0.000 0.283 734 T C 0.621 175.362 174.700 0.068 0.000 0.988 734 T CA -0.697 61.547 62.100 0.239 0.000 0.957 734 T CB 1.632 70.584 68.868 0.139 0.000 0.930 734 T HN 0.263 nan 8.240 nan 0.000 0.443 735 R N 2.491 122.816 120.500 -0.292 0.000 2.643 735 R HA 0.224 4.564 4.340 0.001 0.000 0.270 735 R C -0.628 175.481 176.300 -0.318 0.000 1.061 735 R CA -0.085 55.621 56.100 -0.656 0.000 1.107 735 R CB 0.310 29.640 30.300 -1.616 0.000 0.999 735 R HN 0.738 nan 8.270 nan 0.000 0.460 736 D N 1.416 121.674 120.400 -0.236 0.000 2.433 736 D HA 0.729 5.369 4.640 0.001 0.000 0.236 736 D C -0.111 176.105 176.300 -0.140 0.000 1.026 736 D CA -0.504 53.410 54.000 -0.142 0.000 0.884 736 D CB 1.990 42.747 40.800 -0.072 0.000 1.384 736 D HN 0.743 nan 8.370 nan 0.000 0.477 737 G N 0.000 108.740 108.800 -0.100 0.000 5.446 737 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 737 G CA 0.000 45.053 45.100 -0.078 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925