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 3l76_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALIVQKFGGT SVGTVERIQA VAQRIKRTVQ GGNSLVVVVS AMGKSTDVLV DATA SEQUENCE DLAQQISPNP CRREMDMLLS TGEQVSIALL SLALQEIDQP AISLTGAQVG DATA SEQUENCE IVTEXXXXXX XXLEIRPDRL EHHLREGKVV VVAGFQGISX XEHLEITTLG DATA SEQUENCE RGGSDTSAVA LAAALKADFC EIYTDVPGIL TTDPRLVPEA QLMAEITCDE DATA SEQUENCE MLELASLGAK VLHPRAVEIA RNYGIPLVVR SSWSDEPGTK VVAPPVXXRS DATA SEQUENCE LVGLEIAKAV DGVEYDADQA KVALLRVPDR PGVASKLFRD IAQQQVDIDL DATA SEQUENCE IIQSIHDGNS NDIAFTVVKD LLNTAEAVTS AIAPALRSYP EADQEAEIIV DATA SEQUENCE EKGIAKIAIA GAGMIGRPGI AAKMFKTLAD VGVNIEMIST SEVKVSCVID DATA SEQUENCE QRDADRAIAA LSNAFGVTLS PPKNXXXXXX LPAVRGVALD QDQAQIAIRH DATA SEQUENCE VPDRPGMAAQ LFTALAEANI SVDMIIQSQR CRINQGTPCR DIAFMVAEGD DATA SEQUENCE SSQAEAILQP LIKDWLDAAI VVNKAIAKVS IVGSGMIGHP GVAAHFFAAL DATA SEQUENCE AQENINIEMI ATSEIKISCV VPQDRGVDAL KAAHSAFNLA GTKTVTVPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.520 177.584 -0.107 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 19.002 19.000 0.003 0.000 0.831 3 L N 2.726 123.876 121.223 -0.122 0.000 2.485 3 L HA 0.540 4.880 4.340 0.000 0.000 0.279 3 L C -0.795 175.884 176.870 -0.318 0.000 1.124 3 L CA 0.569 55.309 54.840 -0.166 0.000 0.888 3 L CB -0.661 41.334 42.059 -0.108 0.000 1.217 3 L HN 0.325 nan 8.230 nan 0.000 0.464 4 I N 5.460 125.833 120.570 -0.328 0.000 2.436 4 I HA 0.323 4.493 4.170 0.000 0.000 0.289 4 I C -0.683 175.301 176.117 -0.221 0.000 1.010 4 I CA -0.927 60.103 61.300 -0.450 0.000 1.098 4 I CB 1.992 39.715 38.000 -0.461 0.000 1.266 4 I HN 0.110 nan 8.210 nan 0.000 0.434 5 V N 6.378 126.185 119.914 -0.178 0.000 2.383 5 V HA 0.308 4.429 4.120 0.000 0.000 0.275 5 V C -0.057 176.013 176.094 -0.039 0.000 1.036 5 V CA -0.476 61.774 62.300 -0.083 0.000 0.889 5 V CB 1.117 32.903 31.823 -0.063 0.000 0.985 5 V HN 0.707 nan 8.190 nan 0.000 0.459 6 Q N 3.710 123.509 119.800 -0.001 0.000 2.306 6 Q HA 0.666 5.006 4.340 0.000 0.000 0.265 6 Q C -0.662 175.310 176.000 -0.047 0.000 1.022 6 Q CA -0.956 54.848 55.803 0.002 0.000 0.853 6 Q CB 2.807 31.572 28.738 0.046 0.000 1.327 6 Q HN 0.751 nan 8.270 nan 0.000 0.449 7 K N 0.986 121.291 120.400 -0.158 0.000 2.371 7 K HA 0.614 4.934 4.320 0.000 0.000 0.251 7 K C -1.793 174.639 176.600 -0.281 0.000 0.934 7 K CA -0.398 55.831 56.287 -0.097 0.000 0.798 7 K CB 1.153 33.640 32.500 -0.022 0.000 1.204 7 K HN 0.396 nan 8.250 nan 0.000 0.427 8 F N 1.711 121.713 119.950 0.086 0.000 2.518 8 F HA 0.517 5.044 4.527 0.000 0.000 0.323 8 F C 0.783 176.623 175.800 0.068 0.000 1.129 8 F CA -0.558 57.488 58.000 0.077 0.000 0.920 8 F CB 2.445 41.441 39.000 -0.007 0.000 1.160 8 F HN 0.799 nan 8.300 nan 0.000 0.440 9 G N 0.969 109.914 108.800 0.242 0.000 2.588 9 G HA2 0.392 4.352 3.960 0.000 0.000 0.281 9 G HA3 0.392 4.352 3.960 0.000 0.000 0.281 9 G C 1.011 176.015 174.900 0.173 0.000 1.236 9 G CA -0.175 45.034 45.100 0.181 0.000 0.969 9 G HN 0.866 nan 8.290 nan 0.000 0.504 10 G N -0.535 108.347 108.800 0.136 0.000 2.545 10 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 10 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 10 G C 2.001 176.982 174.900 0.134 0.000 1.218 10 G CA 2.689 47.857 45.100 0.113 0.000 0.787 10 G HN 1.016 nan 8.290 nan 0.000 0.571 11 T N -0.801 113.855 114.554 0.170 0.000 2.759 11 T HA -0.138 4.212 4.350 0.000 0.000 0.269 11 T C 2.377 177.260 174.700 0.305 0.000 1.042 11 T CA 1.941 64.174 62.100 0.222 0.000 1.140 11 T CB -0.609 68.402 68.868 0.237 0.000 0.864 11 T HN 0.169 nan 8.240 nan 0.000 0.455 12 S N 0.457 116.338 115.700 0.300 0.000 2.537 12 S HA 0.093 4.563 4.470 0.000 0.000 0.240 12 S C 1.320 175.925 174.600 0.008 0.000 0.981 12 S CA 0.620 58.908 58.200 0.146 0.000 0.948 12 S CB -0.121 63.195 63.200 0.194 0.000 0.759 12 S HN 0.456 nan 8.310 nan 0.000 0.531 13 V N 0.086 120.035 119.914 0.058 0.000 3.329 13 V HA 0.230 4.350 4.120 0.000 0.000 0.317 13 V C 1.742 177.850 176.094 0.024 0.000 1.495 13 V CA 0.340 62.637 62.300 -0.005 0.000 1.105 13 V CB 0.396 32.214 31.823 -0.008 0.000 0.985 13 V HN 0.446 nan 8.190 nan 0.000 0.475 14 G N 1.298 110.138 108.800 0.067 0.000 2.443 14 G HA2 -0.041 3.919 3.960 0.000 0.000 0.219 14 G HA3 -0.041 3.919 3.960 0.000 0.000 0.219 14 G C 0.822 175.747 174.900 0.042 0.000 1.131 14 G CA 1.512 46.651 45.100 0.064 0.000 0.775 14 G HN 0.603 nan 8.290 nan 0.000 0.547 15 T N -4.032 110.543 114.554 0.035 0.000 2.916 15 T HA 0.439 4.790 4.350 0.000 0.000 0.292 15 T C 1.044 175.740 174.700 -0.007 0.000 1.055 15 T CA -0.019 62.093 62.100 0.020 0.000 1.009 15 T CB 1.946 70.836 68.868 0.036 0.000 1.118 15 T HN 0.209 nan 8.240 nan 0.000 0.497 16 V N 0.904 120.811 119.914 -0.012 0.000 2.392 16 V HA -0.112 4.009 4.120 0.000 0.000 0.249 16 V C 2.323 178.393 176.094 -0.039 0.000 1.059 16 V CA 2.682 64.964 62.300 -0.029 0.000 1.051 16 V CB -0.883 30.926 31.823 -0.023 0.000 0.658 16 V HN 1.065 nan 8.190 nan 0.000 0.455 17 E N -0.074 120.112 120.200 -0.024 0.000 2.058 17 E HA -0.275 4.075 4.350 0.000 0.000 0.194 17 E C 2.431 178.998 176.600 -0.055 0.000 0.997 17 E CA 2.137 58.520 56.400 -0.028 0.000 0.801 17 E CB -0.243 29.456 29.700 -0.002 0.000 0.746 17 E HN 0.683 nan 8.360 nan 0.000 0.450 18 R N 1.015 121.486 120.500 -0.048 0.000 2.073 18 R HA -0.121 4.219 4.340 0.000 0.000 0.234 18 R C 2.291 178.487 176.300 -0.173 0.000 1.134 18 R CA 1.702 57.739 56.100 -0.105 0.000 0.952 18 R CB -1.621 28.650 30.300 -0.049 0.000 0.850 18 R HN 0.314 nan 8.270 nan 0.000 0.433 19 I N 0.977 121.463 120.570 -0.139 0.000 2.248 19 I HA -0.399 3.771 4.170 0.000 0.000 0.248 19 I C 2.808 178.811 176.117 -0.190 0.000 1.107 19 I CA 1.934 63.129 61.300 -0.175 0.000 1.373 19 I CB -0.285 37.642 38.000 -0.121 0.000 1.055 19 I HN 0.521 nan 8.210 nan 0.000 0.418 20 Q N 0.281 119.996 119.800 -0.143 0.000 2.167 20 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 20 Q C 2.452 178.358 176.000 -0.157 0.000 0.970 20 Q CA 1.468 57.193 55.803 -0.130 0.000 0.855 20 Q CB -0.205 28.480 28.738 -0.089 0.000 0.911 20 Q HN 0.583 nan 8.270 nan 0.000 0.438 21 A N 0.808 123.520 122.820 -0.180 0.000 1.873 21 A HA -0.142 4.179 4.320 0.000 0.000 0.215 21 A C 2.298 179.721 177.584 -0.269 0.000 1.186 21 A CA 1.492 53.407 52.037 -0.203 0.000 0.616 21 A CB -1.014 17.852 19.000 -0.223 0.000 0.823 21 A HN 0.307 nan 8.150 nan 0.000 0.442 22 V N -0.286 119.399 119.914 -0.381 0.000 2.295 22 V HA -0.156 3.964 4.120 0.000 0.000 0.246 22 V C 2.568 178.408 176.094 -0.423 0.000 1.049 22 V CA 2.469 64.437 62.300 -0.552 0.000 1.024 22 V CB -1.157 30.054 31.823 -1.021 0.000 0.648 22 V HN 0.633 nan 8.190 nan 0.000 0.447 23 A N -0.691 121.927 122.820 -0.335 0.000 1.927 23 A HA -0.357 3.964 4.320 0.000 0.000 0.220 23 A C 2.146 179.630 177.584 -0.167 0.000 1.185 23 A CA 2.626 54.528 52.037 -0.226 0.000 0.639 23 A CB -0.867 18.029 19.000 -0.174 0.000 0.820 23 A HN 0.682 nan 8.150 nan 0.000 0.451 24 Q N -0.619 119.087 119.800 -0.158 0.000 2.020 24 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 24 Q C 2.284 178.222 176.000 -0.104 0.000 0.982 24 Q CA 2.115 57.850 55.803 -0.113 0.000 0.838 24 Q CB -0.338 28.339 28.738 -0.102 0.000 0.899 24 Q HN 0.693 nan 8.270 nan 0.000 0.423 25 R N -0.129 120.292 120.500 -0.133 0.000 2.081 25 R HA -0.120 4.220 4.340 0.000 0.000 0.235 25 R C 2.168 178.425 176.300 -0.072 0.000 1.131 25 R CA 1.465 57.505 56.100 -0.099 0.000 0.960 25 R CB -0.403 29.820 30.300 -0.129 0.000 0.856 25 R HN 0.351 nan 8.270 nan 0.000 0.436 26 I N 1.633 122.142 120.570 -0.100 0.000 2.118 26 I HA -0.315 3.855 4.170 0.000 0.000 0.241 26 I C 3.017 179.109 176.117 -0.041 0.000 1.070 26 I CA 2.154 63.421 61.300 -0.056 0.000 1.327 26 I CB -0.795 37.156 38.000 -0.081 0.000 1.034 26 I HN 0.322 nan 8.210 nan 0.000 0.405 27 K N 1.366 121.733 120.400 -0.056 0.000 2.020 27 K HA -0.217 4.103 4.320 0.000 0.000 0.212 27 K C 2.110 178.696 176.600 -0.024 0.000 1.050 27 K CA 1.936 58.199 56.287 -0.040 0.000 0.929 27 K CB -1.223 31.249 32.500 -0.046 0.000 0.714 27 K HN 0.413 nan 8.250 nan 0.000 0.443 28 R N -0.042 120.444 120.500 -0.023 0.000 2.091 28 R HA -0.098 4.242 4.340 0.000 0.000 0.238 28 R C 2.719 179.024 176.300 0.009 0.000 1.136 28 R CA 1.855 57.951 56.100 -0.007 0.000 0.959 28 R CB -0.819 29.477 30.300 -0.006 0.000 0.856 28 R HN 0.541 nan 8.270 nan 0.000 0.437 29 T N 1.003 115.565 114.554 0.013 0.000 2.708 29 T HA -0.093 4.257 4.350 0.000 0.000 0.266 29 T C 2.094 176.808 174.700 0.023 0.000 1.037 29 T CA 1.383 63.503 62.100 0.034 0.000 1.146 29 T CB -0.203 68.692 68.868 0.044 0.000 0.865 29 T HN 0.000 nan 8.240 nan 0.000 0.435 30 V N 1.700 121.618 119.914 0.006 0.000 2.287 30 V HA -0.201 3.919 4.120 0.000 0.000 0.248 30 V C 3.201 179.298 176.094 0.004 0.000 1.053 30 V CA 2.397 64.696 62.300 -0.001 0.000 1.027 30 V CB -1.440 30.377 31.823 -0.011 0.000 0.646 30 V HN 0.662 nan 8.190 nan 0.000 0.447 31 Q N 0.078 119.880 119.800 0.003 0.000 2.508 31 Q HA -0.030 4.310 4.340 0.000 0.000 0.214 31 Q C 2.066 178.074 176.000 0.013 0.000 0.979 31 Q CA 1.479 57.285 55.803 0.005 0.000 0.911 31 Q CB -1.293 27.446 28.738 0.001 0.000 0.969 31 Q HN 0.744 nan 8.270 nan 0.000 0.504 32 G N -1.086 107.727 108.800 0.021 0.000 2.712 32 G HA2 0.356 4.317 3.960 0.000 0.000 0.212 32 G HA3 0.356 4.317 3.960 0.000 0.000 0.212 32 G C 1.202 176.121 174.900 0.032 0.000 1.142 32 G CA 0.499 45.619 45.100 0.032 0.000 0.789 32 G HN 1.665 nan 8.290 nan 0.000 0.535 33 G N -0.490 108.324 108.800 0.023 0.000 2.181 33 G HA2 -0.183 3.777 3.960 0.000 0.000 0.152 33 G HA3 -0.183 3.777 3.960 0.000 0.000 0.152 33 G C -0.343 174.567 174.900 0.018 0.000 1.026 33 G CA -0.314 44.798 45.100 0.020 0.000 0.699 33 G HN 0.410 nan 8.290 nan 0.000 0.497 34 N N -0.005 118.702 118.700 0.010 0.000 2.292 34 N HA 0.657 5.398 4.740 0.000 0.000 0.303 34 N C -0.569 174.927 175.510 -0.022 0.000 1.140 34 N CA -0.370 52.675 53.050 -0.007 0.000 0.788 34 N CB 1.901 40.386 38.487 -0.005 0.000 1.361 34 N HN 0.101 nan 8.380 nan 0.000 0.489 35 S N 0.985 116.659 115.700 -0.042 0.000 2.508 35 S HA 0.551 5.022 4.470 0.000 0.000 0.284 35 S C -0.371 174.188 174.600 -0.069 0.000 1.192 35 S CA -0.568 57.603 58.200 -0.048 0.000 1.070 35 S CB 0.735 63.906 63.200 -0.047 0.000 1.004 35 S HN 0.272 nan 8.310 nan 0.000 0.493 36 L N 3.162 124.352 121.223 -0.054 0.000 2.356 36 L HA 0.534 4.874 4.340 0.000 0.000 0.277 36 L C -0.793 176.049 176.870 -0.047 0.000 0.996 36 L CA -0.372 54.438 54.840 -0.050 0.000 0.822 36 L CB 1.920 43.967 42.059 -0.021 0.000 1.256 36 L HN 0.412 nan 8.230 nan 0.000 0.413 37 V N 4.474 124.356 119.914 -0.053 0.000 2.370 37 V HA 0.548 4.668 4.120 0.000 0.000 0.283 37 V C -0.331 175.758 176.094 -0.007 0.000 1.023 37 V CA -0.704 61.570 62.300 -0.042 0.000 0.857 37 V CB 1.899 33.683 31.823 -0.065 0.000 0.985 37 V HN 0.416 nan 8.190 nan 0.000 0.443 38 V N 5.885 125.808 119.914 0.014 0.000 2.417 38 V HA 0.488 4.608 4.120 0.000 0.000 0.291 38 V C -0.144 175.982 176.094 0.054 0.000 1.024 38 V CA -0.610 61.732 62.300 0.071 0.000 0.861 38 V CB 2.011 33.900 31.823 0.109 0.000 0.985 38 V HN 0.588 nan 8.190 nan 0.000 0.436 39 V N 5.668 125.628 119.914 0.077 0.000 2.435 39 V HA 0.580 4.700 4.120 0.000 0.000 0.290 39 V C -0.240 175.922 176.094 0.113 0.000 1.030 39 V CA -0.417 61.916 62.300 0.054 0.000 0.881 39 V CB 1.924 33.769 31.823 0.037 0.000 0.983 39 V HN 0.639 nan 8.190 nan 0.000 0.445 40 V N 3.218 123.178 119.914 0.075 0.000 2.735 40 V HA 0.509 4.629 4.120 0.000 0.000 0.310 40 V C 0.115 176.245 176.094 0.061 0.000 1.061 40 V CA -0.553 61.806 62.300 0.099 0.000 0.913 40 V CB 2.192 34.048 31.823 0.054 0.000 1.005 40 V HN 0.856 nan 8.190 nan 0.000 0.428 41 S N 2.091 117.840 115.700 0.082 0.000 2.632 41 S HA 0.664 5.134 4.470 0.000 0.000 0.267 41 S C 0.600 175.225 174.600 0.042 0.000 1.276 41 S CA -0.049 58.187 58.200 0.060 0.000 0.998 41 S CB 1.367 64.614 63.200 0.079 0.000 0.953 41 S HN 1.195 nan 8.310 nan 0.000 0.547 42 A N 1.767 124.606 122.820 0.031 0.000 2.536 42 A HA 0.102 4.422 4.320 0.000 0.000 0.234 42 A C 1.395 178.999 177.584 0.033 0.000 1.076 42 A CA 0.166 52.217 52.037 0.024 0.000 0.769 42 A CB -0.242 18.771 19.000 0.021 0.000 1.020 42 A HN 0.927 nan 8.150 nan 0.000 0.508 43 M N 0.805 120.420 119.600 0.025 0.000 2.086 43 M HA -0.036 4.444 4.480 0.000 0.000 0.261 43 M C 1.399 177.726 176.300 0.044 0.000 1.067 43 M CA 2.330 57.647 55.300 0.028 0.000 1.116 43 M CB -0.384 32.225 32.600 0.016 0.000 1.348 43 M HN 0.961 nan 8.290 nan 0.000 0.407 44 G N -1.726 107.099 108.800 0.042 0.000 3.074 44 G HA2 0.232 4.193 3.960 0.000 0.000 0.127 44 G HA3 0.232 4.193 3.960 0.000 0.000 0.127 44 G C 0.427 175.352 174.900 0.041 0.000 1.216 44 G CA 0.153 45.283 45.100 0.049 0.000 1.390 44 G HN 0.057 nan 8.290 nan 0.000 0.676 45 K N 0.896 121.318 120.400 0.036 0.000 2.574 45 K HA 0.256 4.576 4.320 0.000 0.000 0.193 45 K C 2.417 179.032 176.600 0.025 0.000 1.035 45 K CA 1.916 58.221 56.287 0.030 0.000 0.982 45 K CB -0.931 31.584 32.500 0.026 0.000 0.795 45 K HN 1.212 nan 8.250 nan 0.000 0.491 46 S N -0.011 115.703 115.700 0.025 0.000 2.374 46 S HA -0.211 4.259 4.470 0.000 0.000 0.227 46 S C 2.210 176.821 174.600 0.019 0.000 1.037 46 S CA 2.058 60.270 58.200 0.019 0.000 1.024 46 S CB -0.831 62.379 63.200 0.018 0.000 0.861 46 S HN 0.548 nan 8.310 nan 0.000 0.456 47 T N 1.865 116.432 114.554 0.023 0.000 2.746 47 T HA -0.100 4.250 4.350 0.000 0.000 0.267 47 T C 1.613 176.326 174.700 0.021 0.000 1.039 47 T CA 1.536 63.649 62.100 0.022 0.000 1.142 47 T CB -0.787 68.097 68.868 0.027 0.000 0.866 47 T HN 0.524 nan 8.240 nan 0.000 0.444 48 D N 1.252 121.666 120.400 0.023 0.000 2.123 48 D HA -0.113 4.527 4.640 0.000 0.000 0.196 48 D C 2.313 178.624 176.300 0.017 0.000 0.992 48 D CA 1.443 55.456 54.000 0.021 0.000 0.833 48 D CB -0.356 40.457 40.800 0.022 0.000 0.954 48 D HN 0.363 nan 8.370 nan 0.000 0.455 49 V N -1.071 118.853 119.914 0.016 0.000 2.358 49 V HA -0.151 3.969 4.120 0.000 0.000 0.246 49 V C 2.462 178.563 176.094 0.012 0.000 1.047 49 V CA 0.919 63.227 62.300 0.013 0.000 1.035 49 V CB -0.795 31.035 31.823 0.012 0.000 0.658 49 V HN 0.065 nan 8.190 nan 0.000 0.452 50 L N 0.600 121.831 121.223 0.012 0.000 1.971 50 L HA -0.145 4.195 4.340 0.000 0.000 0.215 50 L C 2.817 179.694 176.870 0.012 0.000 1.072 50 L CA 2.441 57.287 54.840 0.011 0.000 0.758 50 L CB -1.239 40.826 42.059 0.011 0.000 0.889 50 L HN 0.391 nan 8.230 nan 0.000 0.433 51 V N -0.222 119.700 119.914 0.013 0.000 2.332 51 V HA -0.327 3.793 4.120 0.000 0.000 0.248 51 V C 2.346 178.447 176.094 0.012 0.000 1.055 51 V CA 2.442 64.750 62.300 0.013 0.000 1.038 51 V CB -0.529 31.303 31.823 0.016 0.000 0.651 51 V HN 0.697 nan 8.190 nan 0.000 0.450 52 D N -0.121 120.286 120.400 0.012 0.000 2.127 52 D HA -0.244 4.396 4.640 0.000 0.000 0.190 52 D C 1.945 178.251 176.300 0.010 0.000 1.000 52 D CA 2.603 56.610 54.000 0.011 0.000 0.839 52 D CB -0.491 40.316 40.800 0.011 0.000 0.955 52 D HN 0.405 nan 8.370 nan 0.000 0.446 53 L N 0.868 122.097 121.223 0.009 0.000 1.978 53 L HA -0.182 4.158 4.340 0.000 0.000 0.218 53 L C 2.717 179.592 176.870 0.008 0.000 1.075 53 L CA 2.429 57.274 54.840 0.008 0.000 0.767 53 L CB -1.353 40.710 42.059 0.008 0.000 0.890 53 L HN 0.237 nan 8.230 nan 0.000 0.434 54 A N -1.315 121.510 122.820 0.009 0.000 1.940 54 A HA -0.288 4.032 4.320 0.000 0.000 0.219 54 A C 2.377 179.966 177.584 0.009 0.000 1.176 54 A CA 2.423 54.465 52.037 0.009 0.000 0.631 54 A CB -1.008 17.998 19.000 0.009 0.000 0.814 54 A HN 0.527 nan 8.150 nan 0.000 0.446 55 Q N -0.460 119.346 119.800 0.009 0.000 2.226 55 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 55 Q C 1.770 177.775 176.000 0.008 0.000 0.975 55 Q CA 1.737 57.545 55.803 0.009 0.000 0.866 55 Q CB -1.020 27.724 28.738 0.010 0.000 0.915 55 Q HN 0.954 nan 8.270 nan 0.000 0.440 56 Q N -1.070 118.735 119.800 0.008 0.000 2.403 56 Q HA 0.324 4.664 4.340 0.000 0.000 0.203 56 Q C 1.497 177.501 176.000 0.006 0.000 0.932 56 Q CA 0.452 56.259 55.803 0.007 0.000 0.945 56 Q CB 0.268 29.010 28.738 0.007 0.000 1.045 56 Q HN 0.662 nan 8.270 nan 0.000 0.511 57 I N -1.160 119.414 120.570 0.007 0.000 3.194 57 I HA 0.072 4.242 4.170 0.000 0.000 0.271 57 I C 0.518 176.639 176.117 0.006 0.000 1.150 57 I CA 0.234 61.537 61.300 0.006 0.000 1.440 57 I CB 1.011 39.015 38.000 0.006 0.000 1.276 57 I HN -0.119 nan 8.210 nan 0.000 0.457 58 S N -0.298 115.406 115.700 0.007 0.000 2.533 58 S HA 0.328 4.798 4.470 0.000 0.000 0.271 58 S C -1.939 172.665 174.600 0.007 0.000 1.143 58 S CA -1.034 57.170 58.200 0.007 0.000 0.891 58 S CB 1.818 65.022 63.200 0.007 0.000 1.105 58 S HN -0.108 nan 8.310 nan 0.000 0.468 59 P HA -0.126 nan 4.420 nan 0.000 0.213 59 P C -0.279 177.026 177.300 0.008 0.000 1.170 59 P CA 1.264 64.369 63.100 0.008 0.000 0.902 59 P CB -0.377 31.327 31.700 0.007 0.000 0.789 60 N N 1.119 119.824 118.700 0.008 0.000 2.437 60 N HA 0.349 5.089 4.740 0.000 0.000 0.259 60 N C -2.582 172.932 175.510 0.008 0.000 0.983 60 N CA -1.685 51.370 53.050 0.008 0.000 0.937 60 N CB 1.104 39.596 38.487 0.008 0.000 1.122 60 N HN 0.090 nan 8.380 nan 0.000 0.499 61 P HA 0.128 nan 4.420 nan 0.000 0.296 61 P C 0.148 177.453 177.300 0.008 0.000 1.306 61 P CA -0.509 62.596 63.100 0.008 0.000 0.818 61 P CB 1.095 32.800 31.700 0.009 0.000 0.969 62 C N 3.002 122.306 119.300 0.008 0.000 2.611 62 C HA 0.226 4.686 4.460 0.000 0.000 0.416 62 C C 2.382 177.376 174.990 0.007 0.000 1.366 62 C CA 0.621 59.643 59.018 0.008 0.000 1.761 62 C CB -0.775 26.970 27.740 0.008 0.000 2.619 62 C HN 0.830 nan 8.230 nan 0.000 0.606 63 R N 3.351 123.855 120.500 0.006 0.000 2.081 63 R HA -0.019 4.321 4.340 0.000 0.000 0.235 63 R C 2.404 178.707 176.300 0.005 0.000 1.131 63 R CA 2.921 59.024 56.100 0.006 0.000 0.960 63 R CB -1.456 28.846 30.300 0.004 0.000 0.856 63 R HN 1.041 nan 8.270 nan 0.000 0.436 64 R N 1.481 121.984 120.500 0.005 0.000 2.070 64 R HA -0.081 4.259 4.340 0.000 0.000 0.233 64 R C 2.185 178.490 176.300 0.008 0.000 1.137 64 R CA 1.667 57.770 56.100 0.005 0.000 0.945 64 R CB -1.081 29.223 30.300 0.007 0.000 0.845 64 R HN 0.699 nan 8.270 nan 0.000 0.430 65 E N 0.053 120.259 120.200 0.009 0.000 2.219 65 E HA -0.202 4.148 4.350 0.000 0.000 0.198 65 E C 1.903 178.508 176.600 0.009 0.000 0.998 65 E CA 1.541 57.947 56.400 0.010 0.000 0.818 65 E CB -0.256 29.449 29.700 0.010 0.000 0.741 65 E HN 0.499 nan 8.360 nan 0.000 0.477 66 M N 1.068 120.673 119.600 0.008 0.000 2.193 66 M HA -0.057 4.423 4.480 0.000 0.000 0.265 66 M C 0.995 177.300 176.300 0.009 0.000 1.071 66 M CA 1.284 56.590 55.300 0.009 0.000 1.140 66 M CB 0.020 32.625 32.600 0.009 0.000 1.369 66 M HN -0.178 nan 8.290 nan 0.000 0.423 67 D N -0.583 119.822 120.400 0.008 0.000 2.219 67 D HA -0.163 4.477 4.640 0.000 0.000 0.205 67 D C 1.953 178.258 176.300 0.008 0.000 0.970 67 D CA 1.041 55.046 54.000 0.008 0.000 0.851 67 D CB -0.338 40.466 40.800 0.006 0.000 0.943 67 D HN 0.404 nan 8.370 nan 0.000 0.488 68 M N -0.015 119.589 119.600 0.008 0.000 2.123 68 M HA -0.069 4.411 4.480 0.000 0.000 0.263 68 M C 2.062 178.366 176.300 0.007 0.000 1.069 68 M CA 0.880 56.185 55.300 0.008 0.000 1.133 68 M CB 0.007 32.613 32.600 0.010 0.000 1.356 68 M HN 0.013 nan 8.290 nan 0.000 0.415 69 L N 0.844 122.072 121.223 0.007 0.000 1.990 69 L HA -0.263 4.077 4.340 0.000 0.000 0.213 69 L C 2.678 179.552 176.870 0.007 0.000 1.072 69 L CA 1.964 56.808 54.840 0.007 0.000 0.755 69 L CB -0.797 41.267 42.059 0.008 0.000 0.889 69 L HN 0.469 nan 8.230 nan 0.000 0.432 70 L N -1.604 119.624 121.223 0.008 0.000 2.376 70 L HA -0.078 4.262 4.340 0.000 0.000 0.219 70 L C 2.625 179.499 176.870 0.006 0.000 1.133 70 L CA 1.871 56.717 54.840 0.009 0.000 0.816 70 L CB -1.605 40.461 42.059 0.012 0.000 0.933 70 L HN 0.569 nan 8.230 nan 0.000 0.449 71 S N -0.673 115.030 115.700 0.004 0.000 2.481 71 S HA -0.200 4.270 4.470 0.000 0.000 0.231 71 S C 2.186 176.782 174.600 -0.007 0.000 0.996 71 S CA 1.840 60.039 58.200 -0.002 0.000 0.942 71 S CB -1.090 62.109 63.200 -0.001 0.000 0.768 71 S HN 0.924 nan 8.310 nan 0.000 0.520 72 T N -1.516 113.036 114.554 -0.004 0.000 2.915 72 T HA 0.119 4.469 4.350 0.000 0.000 0.269 72 T C 1.981 176.677 174.700 -0.007 0.000 1.071 72 T CA 1.157 63.254 62.100 -0.006 0.000 1.132 72 T CB -1.216 67.650 68.868 -0.003 0.000 0.878 72 T HN 0.412 nan 8.240 nan 0.000 0.479 73 G N 2.781 111.579 108.800 -0.003 0.000 2.545 73 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 73 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 73 G C 1.630 176.526 174.900 -0.006 0.000 1.218 73 G CA 1.093 46.193 45.100 -0.000 0.000 0.787 73 G HN 0.702 nan 8.290 nan 0.000 0.571 74 E N 0.627 120.821 120.200 -0.010 0.000 2.204 74 E HA -0.125 4.226 4.350 0.000 0.000 0.194 74 E C 2.273 178.855 176.600 -0.030 0.000 0.989 74 E CA 0.873 57.262 56.400 -0.019 0.000 0.824 74 E CB -0.579 29.105 29.700 -0.027 0.000 0.756 74 E HN 0.605 nan 8.360 nan 0.000 0.477 75 Q N 0.789 120.571 119.800 -0.030 0.000 2.077 75 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 75 Q C 2.519 178.503 176.000 -0.028 0.000 0.989 75 Q CA 2.277 58.061 55.803 -0.032 0.000 0.853 75 Q CB -0.280 28.443 28.738 -0.026 0.000 0.907 75 Q HN 0.335 nan 8.270 nan 0.000 0.418 76 V N -0.678 119.224 119.914 -0.021 0.000 2.379 76 V HA -0.199 3.922 4.120 0.000 0.000 0.245 76 V C 1.947 178.026 176.094 -0.026 0.000 1.044 76 V CA 2.195 64.482 62.300 -0.021 0.000 1.036 76 V CB -0.357 31.457 31.823 -0.015 0.000 0.664 76 V HN 0.251 nan 8.190 nan 0.000 0.453 77 S N 1.556 117.243 115.700 -0.023 0.000 2.365 77 S HA -0.196 4.275 4.470 0.000 0.000 0.225 77 S C 1.891 176.467 174.600 -0.040 0.000 1.039 77 S CA 2.281 60.465 58.200 -0.027 0.000 1.033 77 S CB -0.711 62.481 63.200 -0.014 0.000 0.887 77 S HN 0.892 nan 8.310 nan 0.000 0.447 78 I N -0.168 120.379 120.570 -0.038 0.000 2.546 78 I HA 0.019 4.189 4.170 0.000 0.000 0.255 78 I C 2.276 178.364 176.117 -0.047 0.000 1.163 78 I CA 1.107 62.380 61.300 -0.045 0.000 1.457 78 I CB -0.512 37.460 38.000 -0.047 0.000 1.092 78 I HN 0.196 nan 8.210 nan 0.000 0.434 79 A N 2.194 124.990 122.820 -0.041 0.000 1.855 79 A HA -0.069 4.252 4.320 0.000 0.000 0.215 79 A C 2.296 179.854 177.584 -0.043 0.000 1.191 79 A CA 1.361 53.375 52.037 -0.039 0.000 0.613 79 A CB -0.794 18.187 19.000 -0.032 0.000 0.829 79 A HN 0.424 nan 8.150 nan 0.000 0.442 80 L N -0.823 120.373 121.223 -0.044 0.000 1.970 80 L HA -0.191 4.150 4.340 0.000 0.000 0.212 80 L C 2.597 179.427 176.870 -0.066 0.000 1.071 80 L CA 2.027 56.836 54.840 -0.050 0.000 0.751 80 L CB -1.556 40.474 42.059 -0.048 0.000 0.889 80 L HN 0.483 nan 8.230 nan 0.000 0.432 81 L N 0.105 121.280 121.223 -0.080 0.000 2.042 81 L HA -0.221 4.119 4.340 0.000 0.000 0.210 81 L C 2.859 179.672 176.870 -0.094 0.000 1.076 81 L CA 2.264 57.039 54.840 -0.108 0.000 0.749 81 L CB -0.714 41.269 42.059 -0.127 0.000 0.893 81 L HN 0.458 nan 8.230 nan 0.000 0.432 82 S N -1.445 114.212 115.700 -0.072 0.000 2.406 82 S HA -0.127 4.343 4.470 0.000 0.000 0.228 82 S C 2.054 176.621 174.600 -0.055 0.000 1.020 82 S CA 1.098 59.262 58.200 -0.061 0.000 0.965 82 S CB -0.756 62.414 63.200 -0.050 0.000 0.798 82 S HN 0.498 nan 8.310 nan 0.000 0.488 83 L N 1.240 122.431 121.223 -0.052 0.000 2.027 83 L HA -0.012 4.328 4.340 0.000 0.000 0.206 83 L C 3.256 180.095 176.870 -0.052 0.000 1.074 83 L CA 1.255 56.067 54.840 -0.046 0.000 0.745 83 L CB -0.881 41.153 42.059 -0.042 0.000 0.898 83 L HN 0.487 nan 8.230 nan 0.000 0.433 84 A N -0.002 122.779 122.820 -0.065 0.000 1.940 84 A HA -0.185 4.135 4.320 0.000 0.000 0.219 84 A C 2.245 179.784 177.584 -0.075 0.000 1.176 84 A CA 1.479 53.472 52.037 -0.073 0.000 0.631 84 A CB -0.677 18.267 19.000 -0.094 0.000 0.814 84 A HN 0.358 nan 8.150 nan 0.000 0.446 85 L N -0.986 120.190 121.223 -0.078 0.000 2.056 85 L HA -0.236 4.104 4.340 0.000 0.000 0.207 85 L C 2.869 179.706 176.870 -0.054 0.000 1.078 85 L CA 1.554 56.351 54.840 -0.072 0.000 0.749 85 L CB -0.462 41.553 42.059 -0.072 0.000 0.901 85 L HN 0.470 nan 8.230 nan 0.000 0.433 86 Q N -0.761 119.010 119.800 -0.048 0.000 2.224 86 Q HA -0.194 4.146 4.340 0.000 0.000 0.203 86 Q C 2.076 178.055 176.000 -0.035 0.000 0.970 86 Q CA 0.800 56.580 55.803 -0.038 0.000 0.865 86 Q CB 0.015 28.733 28.738 -0.034 0.000 0.922 86 Q HN 0.326 nan 8.270 nan 0.000 0.445 87 E N 0.977 121.154 120.200 -0.039 0.000 2.110 87 E HA -0.140 4.211 4.350 0.000 0.000 0.193 87 E C 1.561 178.140 176.600 -0.035 0.000 0.988 87 E CA 0.838 57.217 56.400 -0.035 0.000 0.804 87 E CB 0.043 29.720 29.700 -0.038 0.000 0.745 87 E HN 0.533 nan 8.360 nan 0.000 0.458 88 I N -1.592 118.954 120.570 -0.040 0.000 3.864 88 I HA 0.140 4.310 4.170 0.000 0.000 0.326 88 I C -0.806 175.290 176.117 -0.034 0.000 1.444 88 I CA -0.036 61.242 61.300 -0.038 0.000 1.195 88 I CB -0.128 37.845 38.000 -0.045 0.000 1.124 88 I HN -0.241 nan 8.210 nan 0.000 0.407 89 D N 1.135 121.517 120.400 -0.031 0.000 2.699 89 D HA -0.173 4.467 4.640 0.000 0.000 0.239 89 D C -0.105 176.179 176.300 -0.027 0.000 1.136 89 D CA 0.688 54.672 54.000 -0.026 0.000 0.668 89 D CB -0.662 40.125 40.800 -0.022 0.000 1.060 89 D HN 0.547 nan 8.370 nan 0.000 0.429 90 Q N 0.264 120.044 119.800 -0.033 0.000 2.381 90 Q HA 0.319 4.659 4.340 0.000 0.000 0.263 90 Q C -2.534 173.447 176.000 -0.032 0.000 1.030 90 Q CA -1.722 54.061 55.803 -0.033 0.000 0.772 90 Q CB 1.671 30.384 28.738 -0.042 0.000 1.232 90 Q HN -0.008 nan 8.270 nan 0.000 0.476 91 P HA 0.056 nan 4.420 nan 0.000 0.260 91 P C -1.147 176.137 177.300 -0.028 0.000 1.185 91 P CA 0.431 63.516 63.100 -0.024 0.000 0.763 91 P CB 0.658 32.346 31.700 -0.019 0.000 0.776 92 A N 3.994 126.796 122.820 -0.030 0.000 2.504 92 A HA 0.937 5.257 4.320 0.000 0.000 0.285 92 A C -1.180 176.386 177.584 -0.031 0.000 1.261 92 A CA -0.733 51.283 52.037 -0.034 0.000 0.741 92 A CB 1.443 20.418 19.000 -0.042 0.000 1.327 92 A HN 0.531 nan 8.150 nan 0.000 0.441 93 I N -0.452 120.098 120.570 -0.033 0.000 2.739 93 I HA 0.309 4.479 4.170 0.000 0.000 0.288 93 I C -1.409 174.687 176.117 -0.036 0.000 1.582 93 I CA -0.117 61.164 61.300 -0.031 0.000 1.035 93 I CB 1.989 39.974 38.000 -0.026 0.000 1.432 93 I HN 0.524 nan 8.210 nan 0.000 0.444 94 S N 7.386 123.064 115.700 -0.037 0.000 2.422 94 S HA 0.605 5.075 4.470 0.000 0.000 0.298 94 S C -0.419 174.154 174.600 -0.045 0.000 1.118 94 S CA -0.540 57.634 58.200 -0.043 0.000 1.083 94 S CB 0.817 63.991 63.200 -0.043 0.000 0.971 94 S HN 0.337 nan 8.310 nan 0.000 0.478 95 L N 2.561 123.751 121.223 -0.055 0.000 2.334 95 L HA 0.675 5.015 4.340 0.000 0.000 0.272 95 L C 0.421 177.239 176.870 -0.087 0.000 1.020 95 L CA -0.398 54.406 54.840 -0.060 0.000 0.812 95 L CB 2.016 44.042 42.059 -0.056 0.000 1.264 95 L HN 0.502 nan 8.230 nan 0.000 0.439 96 T N 0.222 114.728 114.554 -0.080 0.000 2.883 96 T HA 0.579 4.929 4.350 0.000 0.000 0.301 96 T C 0.273 174.923 174.700 -0.084 0.000 1.158 96 T CA 0.497 62.537 62.100 -0.100 0.000 1.007 96 T CB 1.797 70.625 68.868 -0.066 0.000 1.186 96 T HN 0.983 nan 8.240 nan 0.000 0.499 97 G N 2.051 110.790 108.800 -0.101 0.000 2.684 97 G HA2 -0.262 3.698 3.960 0.000 0.000 0.332 97 G HA3 -0.262 3.698 3.960 0.000 0.000 0.332 97 G C 1.415 176.327 174.900 0.020 0.000 1.306 97 G CA 0.852 45.935 45.100 -0.029 0.000 1.002 97 G HN 1.519 nan 8.290 nan 0.000 0.545 98 A N -0.631 122.219 122.820 0.050 0.000 2.225 98 A HA 0.068 4.388 4.320 0.000 0.000 0.215 98 A C 2.291 179.907 177.584 0.053 0.000 1.164 98 A CA 2.229 54.309 52.037 0.071 0.000 0.710 98 A CB -0.342 18.703 19.000 0.075 0.000 0.780 98 A HN 0.705 nan 8.150 nan 0.000 0.473 99 Q N -1.015 118.800 119.800 0.025 0.000 2.311 99 Q HA -0.008 4.332 4.340 0.000 0.000 0.203 99 Q C 1.557 177.569 176.000 0.020 0.000 0.954 99 Q CA 1.275 57.087 55.803 0.016 0.000 0.885 99 Q CB 0.075 28.810 28.738 -0.005 0.000 0.963 99 Q HN 0.562 nan 8.270 nan 0.000 0.471 100 V N -1.615 118.313 119.914 0.022 0.000 2.908 100 V HA 0.322 4.442 4.120 0.000 0.000 0.240 100 V C 0.788 176.998 176.094 0.193 0.000 1.117 100 V CA 0.890 63.216 62.300 0.044 0.000 1.133 100 V CB 1.039 32.798 31.823 -0.107 0.000 0.857 100 V HN 0.367 nan 8.190 nan 0.000 0.478 101 G N -0.468 108.504 108.800 0.286 0.000 2.320 101 G HA2 0.522 4.482 3.960 0.000 0.000 0.296 101 G HA3 0.522 4.482 3.960 0.000 0.000 0.296 101 G C -2.088 172.973 174.900 0.269 0.000 1.306 101 G CA -0.625 44.664 45.100 0.315 0.000 0.836 101 G HN 0.007 nan 8.290 nan 0.000 0.517 102 I N 0.360 120.984 120.570 0.089 0.000 2.534 102 I HA 0.444 4.614 4.170 0.000 0.000 0.288 102 I C -0.484 175.583 176.117 -0.083 0.000 1.077 102 I CA -1.063 60.258 61.300 0.034 0.000 1.051 102 I CB 2.262 40.280 38.000 0.030 0.000 1.234 102 I HN 0.267 nan 8.210 nan 0.000 0.425 103 V N 4.556 124.424 119.914 -0.077 0.000 2.427 103 V HA 0.505 4.625 4.120 0.000 0.000 0.286 103 V C 0.069 176.119 176.094 -0.074 0.000 1.034 103 V CA -0.283 61.947 62.300 -0.117 0.000 0.893 103 V CB 1.698 33.453 31.823 -0.112 0.000 0.982 103 V HN 0.757 nan 8.190 nan 0.000 0.452 104 T N 3.430 117.943 114.554 -0.067 0.000 2.841 104 T HA 0.816 5.167 4.350 0.000 0.000 0.283 104 T C -0.001 174.674 174.700 -0.040 0.000 1.000 104 T CA -0.178 61.894 62.100 -0.046 0.000 0.977 104 T CB 1.784 70.634 68.868 -0.031 0.000 0.979 104 T HN 1.008 nan 8.240 nan 0.000 0.446 115 E N 2.987 123.150 120.200 -0.062 0.000 2.255 115 E HA 0.560 4.910 4.350 0.000 0.000 0.256 115 E C -1.478 175.056 176.600 -0.111 0.000 0.887 115 E CA -0.337 56.021 56.400 -0.069 0.000 0.782 115 E CB 1.806 31.480 29.700 -0.043 0.000 1.214 115 E HN 0.882 nan 8.360 nan 0.000 0.417 116 I N 4.344 124.820 120.570 -0.157 0.000 2.440 116 I HA 0.429 4.599 4.170 0.000 0.000 0.294 116 I C -0.645 175.351 176.117 -0.202 0.000 0.995 116 I CA -0.632 60.512 61.300 -0.259 0.000 1.306 116 I CB 0.367 38.137 38.000 -0.382 0.000 1.407 116 I HN 0.468 nan 8.210 nan 0.000 0.501 117 R N 5.525 125.907 120.500 -0.196 0.000 2.605 117 R HA 0.530 4.870 4.340 0.000 0.000 0.291 117 R C -3.074 173.195 176.300 -0.053 0.000 1.226 117 R CA -1.522 54.513 56.100 -0.107 0.000 0.981 117 R CB 0.767 31.032 30.300 -0.057 0.000 1.215 117 R HN 0.291 nan 8.270 nan 0.000 0.428 118 P HA 0.068 nan 4.420 nan 0.000 0.273 118 P C -0.562 176.771 177.300 0.055 0.000 1.250 118 P CA -0.094 63.042 63.100 0.060 0.000 0.793 118 P CB 0.740 32.472 31.700 0.053 0.000 1.011 119 D N -0.768 119.676 120.400 0.075 0.000 3.625 119 D HA 0.437 5.078 4.640 0.000 0.000 0.181 119 D C -0.263 176.097 176.300 0.100 0.000 1.109 119 D CA -0.042 54.000 54.000 0.071 0.000 1.379 119 D CB 0.211 41.048 40.800 0.062 0.000 1.015 119 D HN 0.321 nan 8.370 nan 0.000 0.231 120 R N -0.600 119.961 120.500 0.102 0.000 2.487 120 R HA 0.281 4.622 4.340 0.000 0.000 0.159 120 R C 0.121 176.487 176.300 0.110 0.000 1.227 120 R CA 0.167 56.358 56.100 0.153 0.000 0.887 120 R CB -1.934 28.577 30.300 0.353 0.000 1.348 120 R HN 0.279 nan 8.270 nan 0.000 0.623 121 L N 0.753 122.014 121.223 0.064 0.000 2.554 121 L HA 0.230 4.570 4.340 0.000 0.000 0.226 121 L C 2.107 178.999 176.870 0.036 0.000 1.137 121 L CA 2.217 57.084 54.840 0.045 0.000 0.863 121 L CB 0.478 42.553 42.059 0.027 0.000 0.985 121 L HN 0.710 nan 8.230 nan 0.000 0.451 122 E N -2.792 117.425 120.200 0.029 0.000 2.415 122 E HA -0.161 4.189 4.350 0.000 0.000 0.197 122 E C 1.572 178.168 176.600 -0.007 0.000 1.007 122 E CA 0.374 56.770 56.400 -0.006 0.000 0.890 122 E CB -0.518 29.157 29.700 -0.042 0.000 0.891 122 E HN 0.556 nan 8.360 nan 0.000 0.496 123 H N 0.281 119.348 119.070 -0.005 0.000 2.353 123 H HA -0.194 4.362 4.556 0.000 0.000 0.298 123 H C 2.557 177.881 175.328 -0.006 0.000 1.103 123 H CA 2.554 58.599 56.048 -0.006 0.000 1.293 123 H CB -0.302 29.458 29.762 -0.004 0.000 1.372 123 H HN 0.583 nan 8.280 nan 0.000 0.501 124 H N 0.347 119.495 119.070 0.130 0.000 2.269 124 H HA -0.042 4.514 4.556 0.000 0.000 0.299 124 H C 2.246 177.597 175.328 0.039 0.000 1.058 124 H CA 1.455 57.542 56.048 0.065 0.000 1.246 124 H CB -1.065 28.723 29.762 0.043 0.000 1.376 124 H HN 0.248 nan 8.280 nan 0.000 0.503 125 L N 0.385 121.621 121.223 0.022 0.000 2.651 125 L HA -0.095 4.245 4.340 0.000 0.000 0.236 125 L C 2.632 179.501 176.870 -0.002 0.000 1.173 125 L CA 0.865 55.708 54.840 0.004 0.000 0.843 125 L CB -0.317 41.739 42.059 -0.005 0.000 0.964 125 L HN 0.310 nan 8.230 nan 0.000 0.454 126 R N 0.743 121.246 120.500 0.005 0.000 2.241 126 R HA -0.098 4.242 4.340 0.000 0.000 0.224 126 R C 0.316 176.617 176.300 0.002 0.000 1.101 126 R CA 0.654 56.751 56.100 -0.006 0.000 0.995 126 R CB -0.085 30.217 30.300 0.003 0.000 0.870 126 R HN 0.152 nan 8.270 nan 0.000 0.463 127 E N -0.578 119.628 120.200 0.009 0.000 1.861 127 E HA 0.301 4.651 4.350 0.000 0.000 0.263 127 E C 0.609 177.209 176.600 -0.000 0.000 1.137 127 E CA 0.559 56.963 56.400 0.007 0.000 0.944 127 E CB 0.474 30.181 29.700 0.011 0.000 1.092 127 E HN 0.358 nan 8.360 nan 0.000 0.420 128 G N 1.246 110.044 108.800 -0.004 0.000 2.493 128 G HA2 -0.252 3.708 3.960 0.000 0.000 0.206 128 G HA3 -0.252 3.708 3.960 0.000 0.000 0.206 128 G C 0.688 175.580 174.900 -0.013 0.000 1.109 128 G CA -0.103 44.993 45.100 -0.008 0.000 0.689 128 G HN 0.727 nan 8.290 nan 0.000 0.516 129 K N 0.962 121.353 120.400 -0.015 0.000 2.087 129 K HA 0.838 5.158 4.320 0.000 0.000 0.255 129 K C 0.186 176.771 176.600 -0.025 0.000 0.988 129 K CA 0.151 56.426 56.287 -0.020 0.000 0.915 129 K CB 1.458 33.947 32.500 -0.020 0.000 1.043 129 K HN 1.089 nan 8.250 nan 0.000 0.457 130 V N 2.383 122.280 119.914 -0.028 0.000 2.406 130 V HA 0.224 4.344 4.120 0.000 0.000 0.272 130 V C -0.141 175.933 176.094 -0.033 0.000 1.043 130 V CA -0.835 61.447 62.300 -0.031 0.000 0.915 130 V CB 1.234 33.038 31.823 -0.032 0.000 0.988 130 V HN 0.555 nan 8.190 nan 0.000 0.466 131 V N 6.670 126.562 119.914 -0.036 0.000 2.408 131 V HA 0.277 4.397 4.120 0.000 0.000 0.267 131 V C 0.122 176.194 176.094 -0.037 0.000 1.047 131 V CA -0.326 61.951 62.300 -0.039 0.000 0.937 131 V CB 1.345 33.140 31.823 -0.046 0.000 0.999 131 V HN 0.590 nan 8.190 nan 0.000 0.472 132 V N 6.277 126.168 119.914 -0.038 0.000 2.398 132 V HA 0.519 4.639 4.120 0.000 0.000 0.286 132 V C -0.029 176.035 176.094 -0.051 0.000 1.026 132 V CA -0.408 61.871 62.300 -0.035 0.000 0.868 132 V CB 1.817 33.617 31.823 -0.038 0.000 0.982 132 V HN 0.601 nan 8.190 nan 0.000 0.443 133 V N 3.471 123.350 119.914 -0.059 0.000 2.823 133 V HA 0.976 5.096 4.120 0.000 0.000 0.312 133 V C -0.118 175.898 176.094 -0.131 0.000 1.072 133 V CA -0.367 61.871 62.300 -0.103 0.000 0.937 133 V CB 2.090 33.846 31.823 -0.111 0.000 1.013 133 V HN 1.068 nan 8.190 nan 0.000 0.430 134 A N 2.646 125.352 122.820 -0.191 0.000 2.512 134 A HA 0.838 5.158 4.320 0.000 0.000 0.294 134 A C -0.222 177.190 177.584 -0.288 0.000 1.054 134 A CA 0.135 52.046 52.037 -0.210 0.000 0.756 134 A CB 1.226 20.157 19.000 -0.116 0.000 1.293 134 A HN 2.370 nan 8.150 nan 0.000 0.395 135 G N 0.240 108.789 108.800 -0.418 0.000 2.692 135 G HA2 0.392 4.352 3.960 0.000 0.000 0.686 135 G HA3 0.392 4.352 3.960 0.000 0.000 0.686 135 G C -0.927 173.571 174.900 -0.670 0.000 1.243 135 G CA -0.362 44.514 45.100 -0.373 0.000 0.782 135 G HN 1.489 nan 8.290 nan 0.000 0.625 136 F N -0.322 119.617 119.950 -0.019 0.000 2.640 136 F HA 0.688 5.216 4.527 0.000 0.000 0.324 136 F C 0.468 176.254 175.800 -0.023 0.000 1.077 136 F CA -0.798 57.190 58.000 -0.020 0.000 0.965 136 F CB 2.003 40.988 39.000 -0.026 0.000 1.351 136 F HN 0.687 nan 8.300 nan 0.000 0.487 137 Q N 0.778 120.687 119.800 0.182 0.000 2.288 137 Q HA 0.578 4.918 4.340 0.000 0.000 0.254 137 Q C -0.429 175.579 176.000 0.013 0.000 0.932 137 Q CA -0.412 55.438 55.803 0.078 0.000 0.902 137 Q CB 1.367 30.163 28.738 0.097 0.000 1.203 137 Q HN 0.904 nan 8.270 nan 0.000 0.415 138 G N 3.498 112.238 108.800 -0.101 0.000 2.432 138 G HA2 0.617 4.578 3.960 0.000 0.000 0.331 138 G HA3 0.617 4.578 3.960 0.000 0.000 0.331 138 G C -0.901 173.784 174.900 -0.358 0.000 1.170 138 G CA -0.752 44.255 45.100 -0.156 0.000 0.943 138 G HN 0.801 nan 8.290 nan 0.000 0.483 139 I N -1.454 118.981 120.570 -0.225 0.000 2.828 139 I HA 0.880 5.050 4.170 0.000 0.000 0.302 139 I C -0.517 175.551 176.117 -0.082 0.000 1.101 139 I CA -0.725 60.452 61.300 -0.206 0.000 1.031 139 I CB 2.485 40.451 38.000 -0.057 0.000 1.231 139 I HN 0.409 nan 8.210 nan 0.000 0.427 144 H N -0.928 118.148 119.070 0.009 0.000 3.151 144 H HA 0.677 5.233 4.556 0.000 0.000 0.333 144 H C -1.822 173.514 175.328 0.013 0.000 1.093 144 H CA -0.324 55.730 56.048 0.011 0.000 1.342 144 H CB 1.010 30.778 29.762 0.010 0.000 1.983 144 H HN 0.582 nan 8.280 nan 0.000 0.503 145 L N 4.415 125.532 121.223 -0.177 0.000 2.341 145 L HA 0.307 4.647 4.340 0.000 0.000 0.278 145 L C 0.794 177.660 176.870 -0.007 0.000 1.005 145 L CA -0.689 54.131 54.840 -0.034 0.000 0.818 145 L CB 1.902 43.934 42.059 -0.044 0.000 1.259 145 L HN 0.761 nan 8.230 nan 0.000 0.418 146 E N 3.349 123.604 120.200 0.091 0.000 2.158 146 E HA 0.119 4.469 4.350 0.000 0.000 0.191 146 E C -0.000 176.628 176.600 0.046 0.000 0.982 146 E CA 1.004 57.462 56.400 0.096 0.000 0.823 146 E CB 0.534 30.285 29.700 0.085 0.000 0.766 146 E HN 0.456 nan 8.360 nan 0.000 0.468 147 I N 0.699 121.284 120.570 0.024 0.000 2.548 147 I HA 0.178 4.348 4.170 0.000 0.000 0.287 147 I C -0.456 175.667 176.117 0.010 0.000 1.103 147 I CA -0.594 60.712 61.300 0.009 0.000 1.049 147 I CB 2.255 40.249 38.000 -0.009 0.000 1.232 147 I HN -0.186 nan 8.210 nan 0.000 0.429 148 T N 0.419 114.989 114.554 0.026 0.000 2.864 148 T HA 0.736 5.086 4.350 0.000 0.000 0.299 148 T C -0.195 174.547 174.700 0.069 0.000 1.166 148 T CA -0.727 61.394 62.100 0.035 0.000 1.007 148 T CB 2.128 71.013 68.868 0.029 0.000 1.219 148 T HN 0.605 nan 8.240 nan 0.000 0.506 149 T N -0.829 113.761 114.554 0.061 0.000 2.937 149 T HA 0.586 4.936 4.350 0.000 0.000 0.283 149 T C 0.991 175.748 174.700 0.094 0.000 1.012 149 T CA -1.149 61.003 62.100 0.087 0.000 0.997 149 T CB 0.727 69.620 68.868 0.041 0.000 1.136 149 T HN 0.550 nan 8.240 nan 0.000 0.551 150 L N 0.576 121.857 121.223 0.097 0.000 2.567 150 L HA 0.451 4.791 4.340 0.000 0.000 0.225 150 L C 1.497 178.367 176.870 -0.000 0.000 1.119 150 L CA 0.315 55.180 54.840 0.042 0.000 0.871 150 L CB -0.879 41.199 42.059 0.032 0.000 1.036 150 L HN 1.204 nan 8.230 nan 0.000 0.459 151 G N -0.463 108.337 108.800 -0.000 0.000 2.396 151 G HA2 -0.148 3.812 3.960 0.000 0.000 0.254 151 G HA3 -0.148 3.812 3.960 0.000 0.000 0.254 151 G C 0.521 175.397 174.900 -0.040 0.000 1.248 151 G CA -0.105 44.986 45.100 -0.016 0.000 1.033 151 G HN 0.023 nan 8.290 nan 0.000 0.502 152 R N -0.548 119.929 120.500 -0.039 0.000 2.103 152 R HA 0.160 4.500 4.340 0.000 0.000 0.234 152 R C 2.886 179.083 176.300 -0.173 0.000 1.132 152 R CA 3.041 59.122 56.100 -0.032 0.000 0.925 152 R CB -1.422 28.907 30.300 0.048 0.000 0.842 152 R HN 2.399 nan 8.270 nan 0.000 0.430 153 G N -0.486 107.998 108.800 -0.526 0.000 3.383 153 G HA2 0.340 4.300 3.960 0.000 0.000 0.251 153 G HA3 0.340 4.300 3.960 0.000 0.000 0.251 153 G C 1.402 176.013 174.900 -0.482 0.000 1.203 153 G CA 0.692 45.041 45.100 -1.252 0.000 0.852 153 G HN 0.778 nan 8.290 nan 0.000 0.531 154 G N 0.900 109.570 108.800 -0.217 0.000 2.422 154 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 154 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 154 G C 1.926 176.816 174.900 -0.017 0.000 1.140 154 G CA 1.266 46.321 45.100 -0.076 0.000 0.775 154 G HN 0.413 nan 8.290 nan 0.000 0.545 155 S N 1.199 116.886 115.700 -0.021 0.000 2.348 155 S HA -0.111 4.359 4.470 0.000 0.000 0.221 155 S C 1.994 176.611 174.600 0.028 0.000 1.033 155 S CA 1.386 59.600 58.200 0.024 0.000 1.010 155 S CB -0.308 62.915 63.200 0.038 0.000 0.891 155 S HN 0.361 nan 8.310 nan 0.000 0.442 156 D N 1.262 121.673 120.400 0.019 0.000 2.104 156 D HA -0.080 4.560 4.640 0.000 0.000 0.194 156 D C 2.095 178.410 176.300 0.024 0.000 0.994 156 D CA 1.394 55.416 54.000 0.036 0.000 0.830 156 D CB -0.848 40.002 40.800 0.082 0.000 0.959 156 D HN 0.306 nan 8.370 nan 0.000 0.452 157 T N 0.379 114.934 114.554 0.003 0.000 2.777 157 T HA -0.084 4.266 4.350 0.000 0.000 0.266 157 T C 2.203 176.913 174.700 0.016 0.000 1.040 157 T CA 1.276 63.377 62.100 0.001 0.000 1.141 157 T CB -0.158 68.694 68.868 -0.027 0.000 0.868 157 T HN 0.037 nan 8.240 nan 0.000 0.444 158 S N 1.364 117.102 115.700 0.063 0.000 2.359 158 S HA -0.079 4.391 4.470 0.000 0.000 0.224 158 S C 2.560 177.220 174.600 0.101 0.000 1.035 158 S CA 1.055 59.349 58.200 0.156 0.000 1.018 158 S CB -0.600 62.763 63.200 0.272 0.000 0.876 158 S HN 0.593 nan 8.310 nan 0.000 0.448 159 A N 1.203 124.058 122.820 0.059 0.000 1.865 159 A HA -0.090 4.231 4.320 0.000 0.000 0.217 159 A C 2.380 179.970 177.584 0.009 0.000 1.191 159 A CA 1.815 53.869 52.037 0.029 0.000 0.623 159 A CB -1.060 17.949 19.000 0.016 0.000 0.826 159 A HN 0.341 nan 8.150 nan 0.000 0.444 160 V N -0.156 119.762 119.914 0.007 0.000 2.261 160 V HA -0.246 3.875 4.120 0.000 0.000 0.246 160 V C 3.087 179.156 176.094 -0.042 0.000 1.047 160 V CA 1.972 64.269 62.300 -0.005 0.000 1.015 160 V CB -1.342 30.488 31.823 0.012 0.000 0.642 160 V HN 0.639 nan 8.190 nan 0.000 0.446 161 A N -0.470 122.316 122.820 -0.056 0.000 1.958 161 A HA -0.238 4.082 4.320 0.000 0.000 0.221 161 A C 2.245 179.774 177.584 -0.092 0.000 1.178 161 A CA 2.137 54.104 52.037 -0.116 0.000 0.642 161 A CB -0.582 18.351 19.000 -0.112 0.000 0.816 161 A HN 0.516 nan 8.150 nan 0.000 0.453 162 L N -1.229 119.979 121.223 -0.025 0.000 2.044 162 L HA -0.141 4.199 4.340 0.000 0.000 0.205 162 L C 3.124 179.965 176.870 -0.049 0.000 1.075 162 L CA 0.971 55.803 54.840 -0.014 0.000 0.747 162 L CB -0.492 41.577 42.059 0.018 0.000 0.903 162 L HN 0.437 nan 8.230 nan 0.000 0.435 163 A N -0.059 122.733 122.820 -0.048 0.000 1.940 163 A HA -0.215 4.105 4.320 0.000 0.000 0.219 163 A C 2.486 180.040 177.584 -0.049 0.000 1.176 163 A CA 1.803 53.809 52.037 -0.050 0.000 0.631 163 A CB -0.705 18.275 19.000 -0.033 0.000 0.814 163 A HN 0.434 nan 8.150 nan 0.000 0.446 164 A N -0.068 122.704 122.820 -0.080 0.000 1.858 164 A HA 0.135 4.456 4.320 0.000 0.000 0.216 164 A C 2.530 180.056 177.584 -0.097 0.000 1.190 164 A CA 2.240 54.205 52.037 -0.120 0.000 0.617 164 A CB -1.147 17.644 19.000 -0.348 0.000 0.827 164 A HN 1.144 nan 8.150 nan 0.000 0.443 165 A N -0.721 122.036 122.820 -0.105 0.000 2.019 165 A HA 0.054 4.374 4.320 0.000 0.000 0.219 165 A C 1.916 179.506 177.584 0.009 0.000 1.164 165 A CA 1.438 53.445 52.037 -0.051 0.000 0.644 165 A CB -0.465 18.509 19.000 -0.043 0.000 0.805 165 A HN 0.478 nan 8.150 nan 0.000 0.449 166 L N -1.625 119.586 121.223 -0.020 0.000 2.607 166 L HA 0.102 4.442 4.340 0.000 0.000 0.228 166 L C -0.010 176.869 176.870 0.015 0.000 1.123 166 L CA -0.229 54.593 54.840 -0.029 0.000 0.890 166 L CB 0.089 42.054 42.059 -0.156 0.000 1.103 166 L HN 0.116 nan 8.230 nan 0.000 0.468 167 K N 0.186 120.598 120.400 0.020 0.000 3.150 167 K HA -0.164 4.156 4.320 0.000 0.000 0.267 167 K C 0.215 176.820 176.600 0.007 0.000 1.028 167 K CA 0.826 57.132 56.287 0.031 0.000 0.753 167 K CB -1.975 30.559 32.500 0.057 0.000 1.288 167 K HN 0.330 nan 8.250 nan 0.000 0.473 168 A N 0.666 123.472 122.820 -0.023 0.000 2.445 168 A HA 0.165 4.485 4.320 0.000 0.000 0.242 168 A C 1.385 178.950 177.584 -0.033 0.000 1.075 168 A CA 0.009 52.007 52.037 -0.064 0.000 0.777 168 A CB 0.345 19.283 19.000 -0.102 0.000 1.013 168 A HN 0.277 nan 8.150 nan 0.000 0.493 169 D N 0.182 120.539 120.400 -0.072 0.000 2.144 169 D HA 0.066 4.706 4.640 0.000 0.000 0.200 169 D C 0.231 176.672 176.300 0.235 0.000 0.978 169 D CA 2.052 56.091 54.000 0.065 0.000 0.833 169 D CB -0.122 40.731 40.800 0.090 0.000 0.961 169 D HN 0.616 nan 8.370 nan 0.000 0.470 170 F N -1.860 118.093 119.950 0.004 0.000 2.817 170 F HA 0.459 4.986 4.527 0.000 0.000 0.317 170 F C -1.326 174.469 175.800 -0.008 0.000 1.168 170 F CA -1.616 56.382 58.000 -0.003 0.000 0.911 170 F CB 1.468 40.463 39.000 -0.008 0.000 1.337 170 F HN -0.200 nan 8.300 nan 0.000 0.464 171 C N 1.064 120.472 119.300 0.181 0.000 2.431 171 C HA 0.693 5.153 4.460 0.000 0.000 0.321 171 C C -1.327 173.713 174.990 0.083 0.000 1.202 171 C CA -0.017 59.037 59.018 0.059 0.000 1.398 171 C CB 0.969 28.724 27.740 0.025 0.000 2.047 171 C HN 0.847 nan 8.230 nan 0.000 0.465 172 E N 5.755 125.972 120.200 0.028 0.000 2.158 172 E HA 0.492 4.842 4.350 0.000 0.000 0.271 172 E C -0.721 175.749 176.600 -0.216 0.000 0.911 172 E CA -0.583 55.756 56.400 -0.102 0.000 0.767 172 E CB 1.546 31.198 29.700 -0.081 0.000 1.120 172 E HN 0.558 nan 8.360 nan 0.000 0.405 173 I N 3.656 124.057 120.570 -0.282 0.000 2.307 173 I HA 0.227 4.397 4.170 0.000 0.000 0.289 173 I C -0.568 175.341 176.117 -0.347 0.000 1.021 173 I CA -0.592 60.573 61.300 -0.225 0.000 1.224 173 I CB -0.326 37.611 38.000 -0.105 0.000 1.376 173 I HN 0.485 nan 8.210 nan 0.000 0.470 174 Y N 4.392 124.537 120.300 -0.258 0.000 2.334 174 Y HA 0.539 5.089 4.550 0.000 0.000 0.328 174 Y C 0.940 176.838 175.900 -0.003 0.000 1.130 174 Y CA 0.010 57.999 58.100 -0.185 0.000 1.163 174 Y CB 1.773 39.976 38.460 -0.429 0.000 1.207 174 Y HN 0.586 nan 8.280 nan 0.000 0.471 175 T N 0.209 114.918 114.554 0.257 0.000 2.718 175 T HA 0.175 4.525 4.350 0.000 0.000 0.306 175 T C -1.596 173.378 174.700 0.457 0.000 1.485 175 T CA -0.979 61.296 62.100 0.293 0.000 0.997 175 T CB 0.859 69.820 68.868 0.156 0.000 1.504 175 T HN 0.629 nan 8.240 nan 0.000 0.497 176 D N 1.857 122.499 120.400 0.404 0.000 2.994 176 D HA 0.445 5.085 4.640 0.000 0.000 0.240 176 D C -0.237 176.097 176.300 0.057 0.000 1.195 176 D CA -0.219 53.904 54.000 0.203 0.000 0.957 176 D CB -0.161 40.539 40.800 -0.166 0.000 1.105 176 D HN 0.299 nan 8.370 nan 0.000 0.477 177 V N 0.991 120.978 119.914 0.123 0.000 2.966 177 V HA 0.140 4.261 4.120 0.000 0.000 0.288 177 V C -2.097 174.039 176.094 0.071 0.000 1.380 177 V CA -1.345 60.989 62.300 0.057 0.000 0.966 177 V CB 2.951 34.793 31.823 0.031 0.000 1.115 177 V HN -0.084 nan 8.190 nan 0.000 0.436 178 P HA 0.200 nan 4.420 nan 0.000 0.226 178 P C 0.638 177.946 177.300 0.013 0.000 1.153 178 P CA 1.629 64.754 63.100 0.043 0.000 0.777 178 P CB 0.307 32.024 31.700 0.029 0.000 0.794 179 G N -1.397 107.404 108.800 0.002 0.000 2.441 179 G HA2 0.150 4.111 3.960 0.000 0.000 0.222 179 G HA3 0.150 4.111 3.960 0.000 0.000 0.222 179 G C -1.805 173.083 174.900 -0.020 0.000 1.254 179 G CA -0.683 44.406 45.100 -0.018 0.000 0.959 179 G HN -0.131 nan 8.290 nan 0.000 0.474 180 I N 2.027 122.580 120.570 -0.028 0.000 2.336 180 I HA 0.497 4.667 4.170 0.000 0.000 0.292 180 I C 0.435 176.534 176.117 -0.028 0.000 0.991 180 I CA -0.409 60.873 61.300 -0.030 0.000 1.227 180 I CB 0.603 38.581 38.000 -0.036 0.000 1.366 180 I HN 0.375 nan 8.210 nan 0.000 0.466 181 L N 4.645 125.852 121.223 -0.026 0.000 2.416 181 L HA 0.333 4.673 4.340 0.000 0.000 0.262 181 L C 1.783 178.634 176.870 -0.031 0.000 1.093 181 L CA -0.438 54.387 54.840 -0.025 0.000 0.801 181 L CB 1.077 43.124 42.059 -0.020 0.000 1.191 181 L HN 0.705 nan 8.230 nan 0.000 0.459 182 T N -3.637 110.900 114.554 -0.029 0.000 2.915 182 T HA -0.051 4.299 4.350 0.000 0.000 0.269 182 T C 0.744 175.423 174.700 -0.035 0.000 1.071 182 T CA 1.170 63.249 62.100 -0.035 0.000 1.132 182 T CB -0.005 68.847 68.868 -0.028 0.000 0.878 182 T HN 0.696 nan 8.240 nan 0.000 0.479 183 T N -0.117 114.422 114.554 -0.025 0.000 2.658 183 T HA 0.302 4.653 4.350 0.000 0.000 0.306 183 T C -2.204 172.487 174.700 -0.016 0.000 1.544 183 T CA -0.663 61.424 62.100 -0.022 0.000 0.991 183 T CB 1.277 70.135 68.868 -0.017 0.000 1.774 183 T HN 0.100 nan 8.240 nan 0.000 0.479 184 D N 1.567 121.960 120.400 -0.012 0.000 2.344 184 D HA 0.317 4.957 4.640 0.000 0.000 0.253 184 D C -1.545 174.750 176.300 -0.008 0.000 1.255 184 D CA -1.958 52.036 54.000 -0.010 0.000 0.894 184 D CB 1.466 42.261 40.800 -0.007 0.000 1.067 184 D HN 0.105 nan 8.370 nan 0.000 0.492 185 P HA -0.144 nan 4.420 nan 0.000 0.216 185 P C 1.161 178.457 177.300 -0.006 0.000 1.150 185 P CA 1.027 64.122 63.100 -0.008 0.000 0.843 185 P CB 0.180 31.873 31.700 -0.011 0.000 0.787 186 R N -0.863 119.633 120.500 -0.007 0.000 2.200 186 R HA -0.052 4.288 4.340 0.000 0.000 0.234 186 R C 1.880 178.179 176.300 -0.002 0.000 1.127 186 R CA 1.022 57.119 56.100 -0.005 0.000 0.989 186 R CB -0.554 29.742 30.300 -0.006 0.000 0.869 186 R HN 0.308 nan 8.270 nan 0.000 0.459 187 L N -1.154 120.069 121.223 -0.000 0.000 2.609 187 L HA 0.186 4.527 4.340 0.000 0.000 0.230 187 L C 0.142 177.014 176.870 0.004 0.000 1.064 187 L CA 0.057 54.899 54.840 0.003 0.000 0.873 187 L CB 0.869 42.932 42.059 0.007 0.000 1.139 187 L HN -0.175 nan 8.230 nan 0.000 0.490 188 V N 0.867 120.782 119.914 0.002 0.000 2.454 188 V HA 0.221 4.341 4.120 0.000 0.000 0.267 188 V C -1.850 174.244 176.094 -0.000 0.000 0.993 188 V CA -0.749 61.553 62.300 0.003 0.000 0.836 188 V CB 1.305 33.131 31.823 0.005 0.000 1.055 188 V HN -0.079 nan 8.190 nan 0.000 0.452 189 P HA -0.144 nan 4.420 nan 0.000 0.218 189 P C 1.003 178.301 177.300 -0.002 0.000 1.146 189 P CA 1.127 64.225 63.100 -0.002 0.000 0.813 189 P CB 0.354 32.053 31.700 -0.002 0.000 0.778 190 E N -0.585 119.615 120.200 -0.000 0.000 2.511 190 E HA 0.160 4.510 4.350 0.000 0.000 0.196 190 E C 0.758 177.357 176.600 -0.001 0.000 1.066 190 E CA -0.035 56.365 56.400 0.000 0.000 0.871 190 E CB -0.850 28.852 29.700 0.003 0.000 0.863 190 E HN 0.165 nan 8.360 nan 0.000 0.520 191 A N 1.459 124.277 122.820 -0.003 0.000 2.580 191 A HA -0.086 4.235 4.320 0.000 0.000 0.244 191 A C 0.288 177.867 177.584 -0.007 0.000 1.045 191 A CA 0.351 52.384 52.037 -0.006 0.000 0.761 191 A CB -0.073 18.922 19.000 -0.009 0.000 0.962 191 A HN 0.220 nan 8.150 nan 0.000 0.512 192 Q N 1.448 121.243 119.800 -0.009 0.000 2.226 192 Q HA 0.548 4.888 4.340 0.000 0.000 0.256 192 Q C -0.930 175.061 176.000 -0.014 0.000 0.962 192 Q CA -0.964 54.834 55.803 -0.010 0.000 0.887 192 Q CB 1.238 29.971 28.738 -0.008 0.000 1.282 192 Q HN 0.721 nan 8.270 nan 0.000 0.449 193 L N 3.684 124.899 121.223 -0.013 0.000 2.361 193 L HA 0.271 4.611 4.340 0.000 0.000 0.278 193 L C -0.585 176.272 176.870 -0.021 0.000 1.113 193 L CA 0.586 55.417 54.840 -0.016 0.000 0.849 193 L CB 0.571 42.624 42.059 -0.011 0.000 1.155 193 L HN 0.741 nan 8.230 nan 0.000 0.452 194 M N 4.931 124.514 119.600 -0.027 0.000 2.219 194 M HA 0.160 4.640 4.480 0.000 0.000 0.353 194 M C 1.294 177.573 176.300 -0.035 0.000 1.304 194 M CA 0.314 55.593 55.300 -0.034 0.000 1.115 194 M CB 1.006 33.582 32.600 -0.040 0.000 1.664 194 M HN 0.853 nan 8.290 nan 0.000 0.459 195 A N 3.502 126.300 122.820 -0.036 0.000 1.898 195 A HA 0.067 4.387 4.320 0.000 0.000 0.214 195 A C 0.690 178.246 177.584 -0.047 0.000 1.183 195 A CA 1.069 53.082 52.037 -0.039 0.000 0.622 195 A CB 0.200 19.178 19.000 -0.036 0.000 0.824 195 A HN 0.826 nan 8.150 nan 0.000 0.444 196 E N -1.324 118.848 120.200 -0.047 0.000 2.317 196 E HA 0.677 5.028 4.350 0.000 0.000 0.270 196 E C -1.710 174.859 176.600 -0.052 0.000 0.885 196 E CA -0.472 55.897 56.400 -0.051 0.000 0.760 196 E CB 2.289 31.958 29.700 -0.051 0.000 1.227 196 E HN 0.354 nan 8.360 nan 0.000 0.434 197 I N 1.264 121.803 120.570 -0.051 0.000 2.752 197 I HA 0.252 4.423 4.170 0.000 0.000 0.295 197 I C -0.516 175.572 176.117 -0.049 0.000 1.219 197 I CA -0.446 60.822 61.300 -0.054 0.000 1.030 197 I CB 2.238 40.207 38.000 -0.053 0.000 1.259 197 I HN 0.627 nan 8.210 nan 0.000 0.423 198 T N 2.233 116.756 114.554 -0.051 0.000 2.904 198 T HA 0.169 4.519 4.350 0.000 0.000 0.290 198 T C 1.304 175.981 174.700 -0.038 0.000 1.018 198 T CA -0.482 61.592 62.100 -0.044 0.000 1.075 198 T CB 1.212 70.052 68.868 -0.048 0.000 0.986 198 T HN 0.791 nan 8.240 nan 0.000 0.523 199 C N 1.749 121.032 119.300 -0.029 0.000 2.376 199 C HA -0.123 4.337 4.460 0.000 0.000 0.275 199 C C 2.611 177.584 174.990 -0.028 0.000 1.200 199 C CA 1.150 60.155 59.018 -0.022 0.000 1.756 199 C CB -1.229 26.503 27.740 -0.013 0.000 2.050 199 C HN 0.939 nan 8.230 nan 0.000 0.460 200 D N 0.198 120.579 120.400 -0.033 0.000 2.123 200 D HA -0.114 4.527 4.640 0.000 0.000 0.196 200 D C 2.105 178.378 176.300 -0.045 0.000 0.992 200 D CA 1.203 55.180 54.000 -0.038 0.000 0.833 200 D CB -0.532 40.244 40.800 -0.040 0.000 0.954 200 D HN 0.639 nan 8.370 nan 0.000 0.455 201 E N -0.131 120.038 120.200 -0.053 0.000 2.077 201 E HA -0.177 4.173 4.350 0.000 0.000 0.193 201 E C 1.962 178.529 176.600 -0.055 0.000 0.989 201 E CA 0.726 57.089 56.400 -0.063 0.000 0.800 201 E CB -0.096 29.561 29.700 -0.073 0.000 0.746 201 E HN 0.098 nan 8.360 nan 0.000 0.452 202 M N 0.724 120.297 119.600 -0.046 0.000 2.159 202 M HA -0.128 4.352 4.480 0.000 0.000 0.263 202 M C 1.826 178.105 176.300 -0.035 0.000 1.063 202 M CA 1.459 56.735 55.300 -0.040 0.000 1.110 202 M CB -0.072 32.509 32.600 -0.032 0.000 1.374 202 M HN 0.047 nan 8.290 nan 0.000 0.411 203 L N -0.809 120.395 121.223 -0.032 0.000 2.056 203 L HA -0.154 4.186 4.340 0.000 0.000 0.207 203 L C 2.327 179.179 176.870 -0.032 0.000 1.078 203 L CA 0.984 55.808 54.840 -0.027 0.000 0.749 203 L CB -0.844 41.200 42.059 -0.024 0.000 0.901 203 L HN 0.244 nan 8.230 nan 0.000 0.433 204 E N 0.176 120.353 120.200 -0.038 0.000 2.274 204 E HA -0.048 4.302 4.350 0.000 0.000 0.194 204 E C 1.594 178.169 176.600 -0.040 0.000 0.996 204 E CA 0.831 57.207 56.400 -0.039 0.000 0.840 204 E CB 0.150 29.822 29.700 -0.047 0.000 0.772 204 E HN 0.466 nan 8.360 nan 0.000 0.491 205 L N 0.426 121.622 121.223 -0.046 0.000 2.912 205 L HA 0.257 4.598 4.340 0.000 0.000 0.240 205 L C 1.788 178.634 176.870 -0.040 0.000 1.262 205 L CA -0.258 54.554 54.840 -0.046 0.000 1.058 205 L CB 0.100 42.125 42.059 -0.057 0.000 1.383 205 L HN -0.051 nan 8.230 nan 0.000 0.512 206 A N 0.694 123.493 122.820 -0.035 0.000 1.954 206 A HA -0.355 3.965 4.320 0.000 0.000 0.222 206 A C 2.539 180.098 177.584 -0.042 0.000 1.199 206 A CA 2.676 54.691 52.037 -0.037 0.000 0.657 206 A CB -0.709 18.272 19.000 -0.031 0.000 0.823 206 A HN 0.605 nan 8.150 nan 0.000 0.463 207 S N -0.954 114.725 115.700 -0.034 0.000 2.399 207 S HA -0.089 4.382 4.470 0.000 0.000 0.231 207 S C 1.586 176.166 174.600 -0.034 0.000 1.022 207 S CA 1.485 59.666 58.200 -0.032 0.000 0.983 207 S CB -0.487 62.701 63.200 -0.020 0.000 0.803 207 S HN 0.245 nan 8.310 nan 0.000 0.480 208 L N 1.795 122.997 121.223 -0.035 0.000 2.450 208 L HA 0.216 4.556 4.340 0.000 0.000 0.224 208 L C 2.121 178.969 176.870 -0.037 0.000 1.149 208 L CA 1.209 56.029 54.840 -0.035 0.000 0.816 208 L CB -1.197 40.839 42.059 -0.038 0.000 0.932 208 L HN 0.611 nan 8.230 nan 0.000 0.449 209 G N -3.051 105.723 108.800 -0.043 0.000 3.519 209 G HA2 0.304 4.264 3.960 0.000 0.000 0.269 209 G HA3 0.304 4.264 3.960 0.000 0.000 0.269 209 G C 1.494 176.354 174.900 -0.067 0.000 1.028 209 G CA 0.460 45.531 45.100 -0.048 0.000 0.809 209 G HN 0.300 nan 8.290 nan 0.000 0.521 210 A N 2.058 124.840 122.820 -0.065 0.000 1.883 210 A HA -0.216 4.104 4.320 0.000 0.000 0.222 210 A C 1.934 179.456 177.584 -0.104 0.000 1.339 210 A CA 2.106 54.094 52.037 -0.081 0.000 0.692 210 A CB -0.331 18.638 19.000 -0.051 0.000 0.845 210 A HN 0.369 nan 8.150 nan 0.000 0.467 211 K N -1.239 119.123 120.400 -0.062 0.000 2.437 211 K HA 0.364 4.684 4.320 0.000 0.000 0.205 211 K C 0.854 177.443 176.600 -0.019 0.000 1.026 211 K CA 0.530 56.792 56.287 -0.042 0.000 1.153 211 K CB 0.770 33.260 32.500 -0.016 0.000 0.863 211 K HN 0.378 nan 8.250 nan 0.000 0.502 212 V N -0.371 119.524 119.914 -0.032 0.000 3.090 212 V HA 0.335 4.455 4.120 0.000 0.000 0.237 212 V C -0.230 175.867 176.094 0.006 0.000 1.209 212 V CA 0.200 62.499 62.300 -0.000 0.000 1.209 212 V CB 0.455 32.276 31.823 -0.003 0.000 0.971 212 V HN 0.242 nan 8.190 nan 0.000 0.477 213 L N -1.472 119.734 121.223 -0.029 0.000 2.568 213 L HA 0.663 5.003 4.340 0.000 0.000 0.257 213 L C -1.257 175.581 176.870 -0.053 0.000 1.024 213 L CA -0.892 53.954 54.840 0.009 0.000 0.854 213 L CB 1.837 43.911 42.059 0.027 0.000 1.460 213 L HN 0.052 nan 8.230 nan 0.000 0.409 214 H N 1.114 120.188 119.070 0.006 0.000 2.517 214 H HA 0.261 4.817 4.556 0.000 0.000 0.317 214 H C -2.007 173.323 175.328 0.004 0.000 1.080 214 H CA -1.211 54.841 56.048 0.008 0.000 1.301 214 H CB 2.201 31.971 29.762 0.013 0.000 1.425 214 H HN 0.498 nan 8.280 nan 0.000 0.471 215 P HA -0.183 nan 4.420 nan 0.000 0.216 215 P C 1.580 178.914 177.300 0.057 0.000 1.154 215 P CA 1.389 64.514 63.100 0.042 0.000 0.865 215 P CB 0.310 32.022 31.700 0.020 0.000 0.789 216 R N -0.922 119.626 120.500 0.081 0.000 2.152 216 R HA -0.041 4.299 4.340 0.000 0.000 0.232 216 R C 2.116 178.449 176.300 0.055 0.000 1.117 216 R CA 1.408 57.543 56.100 0.058 0.000 0.981 216 R CB -0.786 29.545 30.300 0.051 0.000 0.870 216 R HN 0.132 nan 8.270 nan 0.000 0.451 217 A N -0.436 122.426 122.820 0.069 0.000 1.930 217 A HA -0.054 4.266 4.320 0.000 0.000 0.215 217 A C 2.115 179.729 177.584 0.050 0.000 1.176 217 A CA 1.126 53.196 52.037 0.055 0.000 0.632 217 A CB -0.583 18.453 19.000 0.061 0.000 0.819 217 A HN 0.242 nan 8.150 nan 0.000 0.445 218 V N 0.320 120.260 119.914 0.044 0.000 2.515 218 V HA -0.230 3.890 4.120 0.000 0.000 0.250 218 V C 2.153 178.266 176.094 0.032 0.000 1.058 218 V CA 2.816 65.134 62.300 0.030 0.000 1.064 218 V CB -0.383 31.449 31.823 0.014 0.000 0.675 218 V HN 0.759 nan 8.190 nan 0.000 0.461 219 E N -0.336 119.884 120.200 0.034 0.000 2.106 219 E HA -0.191 4.159 4.350 0.000 0.000 0.192 219 E C 2.084 178.720 176.600 0.061 0.000 0.984 219 E CA 1.795 58.214 56.400 0.031 0.000 0.806 219 E CB -0.245 29.468 29.700 0.023 0.000 0.750 219 E HN 0.743 nan 8.360 nan 0.000 0.458 220 I N 0.873 121.496 120.570 0.089 0.000 2.286 220 I HA -0.207 3.963 4.170 0.000 0.000 0.245 220 I C 2.553 178.798 176.117 0.213 0.000 1.104 220 I CA 0.910 62.312 61.300 0.171 0.000 1.397 220 I CB -0.268 37.803 38.000 0.118 0.000 1.072 220 I HN 0.176 nan 8.210 nan 0.000 0.417 221 A N 0.804 123.697 122.820 0.121 0.000 1.883 221 A HA -0.281 4.040 4.320 0.000 0.000 0.217 221 A C 2.456 180.095 177.584 0.093 0.000 1.186 221 A CA 1.948 54.048 52.037 0.106 0.000 0.624 221 A CB -0.721 18.316 19.000 0.062 0.000 0.822 221 A HN 0.355 nan 8.150 nan 0.000 0.444 222 R N -0.400 120.132 120.500 0.054 0.000 2.083 222 R HA -0.181 4.160 4.340 0.000 0.000 0.237 222 R C 1.559 177.855 176.300 -0.007 0.000 1.137 222 R CA 1.910 58.020 56.100 0.017 0.000 0.951 222 R CB -0.362 29.936 30.300 -0.003 0.000 0.851 222 R HN 0.517 nan 8.270 nan 0.000 0.434 223 N N -0.435 118.253 118.700 -0.020 0.000 2.396 223 N HA -0.131 4.609 4.740 0.000 0.000 0.180 223 N C 0.326 175.605 175.510 -0.385 0.000 1.028 223 N CA 1.062 53.996 53.050 -0.193 0.000 0.893 223 N CB 0.033 38.372 38.487 -0.247 0.000 0.967 223 N HN 0.375 nan 8.380 nan 0.000 0.440 224 Y N -0.879 119.422 120.300 0.003 0.000 2.636 224 Y HA 0.350 4.900 4.550 0.000 0.000 0.260 224 Y C 1.304 177.210 175.900 0.011 0.000 1.177 224 Y CA -0.408 57.696 58.100 0.007 0.000 1.209 224 Y CB 0.292 38.756 38.460 0.007 0.000 1.166 224 Y HN -0.045 nan 8.280 nan 0.000 0.531 225 G N 1.525 110.378 108.800 0.090 0.000 2.323 225 G HA2 -0.266 3.694 3.960 0.000 0.000 0.292 225 G HA3 -0.266 3.694 3.960 0.000 0.000 0.292 225 G C -0.210 174.740 174.900 0.084 0.000 1.040 225 G CA -0.013 45.125 45.100 0.064 0.000 0.942 225 G HN 0.226 nan 8.290 nan 0.000 0.506 226 I N 0.882 121.511 120.570 0.099 0.000 2.301 226 I HA 0.240 4.411 4.170 0.000 0.000 0.292 226 I C -1.846 174.319 176.117 0.081 0.000 1.046 226 I CA -2.853 58.502 61.300 0.092 0.000 1.282 226 I CB 0.675 38.728 38.000 0.087 0.000 1.409 226 I HN -0.100 nan 8.210 nan 0.000 0.484 227 P HA 0.225 nan 4.420 nan 0.000 0.265 227 P C -0.402 176.955 177.300 0.094 0.000 1.193 227 P CA 0.058 63.207 63.100 0.081 0.000 0.765 227 P CB 0.832 32.595 31.700 0.104 0.000 0.823 228 L N 2.909 124.156 121.223 0.041 0.000 2.319 228 L HA 0.667 5.007 4.340 0.000 0.000 0.267 228 L C -0.713 176.147 176.870 -0.017 0.000 1.011 228 L CA -1.135 53.720 54.840 0.025 0.000 0.818 228 L CB 2.279 44.342 42.059 0.007 0.000 1.316 228 L HN 0.048 nan 8.230 nan 0.000 0.432 229 V N 2.240 122.128 119.914 -0.043 0.000 2.610 229 V HA 0.242 4.363 4.120 0.000 0.000 0.298 229 V C -0.482 175.516 176.094 -0.161 0.000 1.067 229 V CA -0.654 61.586 62.300 -0.100 0.000 0.894 229 V CB 1.960 33.717 31.823 -0.111 0.000 1.015 229 V HN 0.356 nan 8.190 nan 0.000 0.432 230 V N 6.026 125.860 119.914 -0.133 0.000 2.368 230 V HA 0.522 4.642 4.120 0.000 0.000 0.266 230 V C 0.398 176.399 176.094 -0.153 0.000 1.045 230 V CA -0.198 62.018 62.300 -0.140 0.000 0.899 230 V CB 0.866 32.643 31.823 -0.076 0.000 1.006 230 V HN 0.839 nan 8.190 nan 0.000 0.470 231 R N 2.409 122.764 120.500 -0.242 0.000 2.960 231 R HA 0.729 5.069 4.340 0.000 0.000 0.249 231 R C -0.501 175.791 176.300 -0.015 0.000 1.192 231 R CA -0.606 55.386 56.100 -0.179 0.000 1.035 231 R CB 1.987 32.053 30.300 -0.390 0.000 1.234 231 R HN 0.620 nan 8.270 nan 0.000 0.493 232 S N -0.994 114.787 115.700 0.134 0.000 2.537 232 S HA 0.228 4.699 4.470 0.000 0.000 0.301 232 S C 0.357 175.194 174.600 0.394 0.000 1.092 232 S CA -0.665 57.716 58.200 0.302 0.000 1.048 232 S CB 1.693 65.069 63.200 0.293 0.000 1.053 232 S HN 0.578 nan 8.310 nan 0.000 0.501 233 S N 3.022 118.963 115.700 0.401 0.000 2.414 233 S HA 0.049 4.519 4.470 0.000 0.000 0.227 233 S C 0.809 175.352 174.600 -0.096 0.000 1.022 233 S CA 0.257 58.476 58.200 0.032 0.000 0.958 233 S CB -0.146 62.777 63.200 -0.461 0.000 0.797 233 S HN 0.860 nan 8.310 nan 0.000 0.493 234 W N 2.755 124.121 121.300 0.111 0.000 3.447 234 W HA 0.513 5.173 4.660 0.000 0.000 0.348 234 W C 0.810 177.368 176.519 0.065 0.000 1.220 234 W CA -0.220 57.168 57.345 0.071 0.000 1.809 234 W CB -0.519 28.974 29.460 0.055 0.000 1.040 234 W HN 0.204 nan 8.180 nan 0.000 0.735 235 S N -0.211 115.633 115.700 0.239 0.000 2.588 235 S HA 0.237 4.708 4.470 0.000 0.000 0.269 235 S C -0.387 174.298 174.600 0.140 0.000 1.157 235 S CA -0.547 57.758 58.200 0.175 0.000 0.824 235 S CB 1.758 65.064 63.200 0.177 0.000 1.126 235 S HN 0.063 nan 8.310 nan 0.000 0.464 236 D N 1.156 121.620 120.400 0.107 0.000 2.538 236 D HA 0.179 4.819 4.640 0.000 0.000 0.231 236 D C -0.512 175.837 176.300 0.081 0.000 1.229 236 D CA -0.166 53.893 54.000 0.098 0.000 0.828 236 D CB 0.564 41.407 40.800 0.073 0.000 1.035 236 D HN 0.434 nan 8.370 nan 0.000 0.495 237 E N 1.100 121.348 120.200 0.079 0.000 2.398 237 E HA 0.065 4.415 4.350 0.000 0.000 0.263 237 E C -1.340 175.282 176.600 0.038 0.000 1.046 237 E CA -1.592 54.840 56.400 0.052 0.000 0.908 237 E CB 0.905 30.634 29.700 0.049 0.000 0.963 237 E HN -0.024 nan 8.360 nan 0.000 0.431 238 P HA -0.161 nan 4.420 nan 0.000 0.217 238 P C 0.499 177.780 177.300 -0.031 0.000 1.148 238 P CA 1.729 64.822 63.100 -0.012 0.000 0.834 238 P CB 0.144 31.830 31.700 -0.023 0.000 0.783 239 G N -1.920 106.867 108.800 -0.023 0.000 2.642 239 G HA2 -0.171 3.790 3.960 0.000 0.000 0.231 239 G HA3 -0.171 3.790 3.960 0.000 0.000 0.231 239 G C -0.587 174.283 174.900 -0.050 0.000 1.338 239 G CA -0.234 44.842 45.100 -0.040 0.000 0.883 239 G HN 0.195 nan 8.290 nan 0.000 0.570 240 T N 1.140 115.657 114.554 -0.061 0.000 2.772 240 T HA 0.513 4.863 4.350 0.000 0.000 0.288 240 T C 0.359 175.018 174.700 -0.069 0.000 0.994 240 T CA -0.303 61.763 62.100 -0.058 0.000 0.951 240 T CB 1.428 70.267 68.868 -0.048 0.000 0.933 240 T HN 0.678 nan 8.240 nan 0.000 0.447 241 K N 3.415 123.774 120.400 -0.069 0.000 2.312 241 K HA 0.377 4.697 4.320 0.000 0.000 0.287 241 K C -0.708 175.859 176.600 -0.056 0.000 1.062 241 K CA -0.438 55.806 56.287 -0.072 0.000 0.934 241 K CB 0.447 32.898 32.500 -0.083 0.000 1.027 241 K HN 0.319 nan 8.250 nan 0.000 0.478 242 V N 5.845 125.731 119.914 -0.047 0.000 2.348 242 V HA 0.169 4.289 4.120 0.000 0.000 0.270 242 V C -0.198 175.880 176.094 -0.026 0.000 1.037 242 V CA -0.800 61.480 62.300 -0.035 0.000 0.872 242 V CB 1.202 33.010 31.823 -0.026 0.000 1.002 242 V HN 0.504 nan 8.190 nan 0.000 0.464 243 V N 4.568 124.464 119.914 -0.030 0.000 2.481 243 V HA 0.848 4.968 4.120 0.000 0.000 0.286 243 V C 0.483 176.566 176.094 -0.018 0.000 1.042 243 V CA -0.213 62.072 62.300 -0.026 0.000 0.928 243 V CB 1.611 33.413 31.823 -0.035 0.000 0.986 243 V HN 0.968 nan 8.190 nan 0.000 0.462 244 A N 5.833 128.647 122.820 -0.009 0.000 2.430 244 A HA 0.994 5.314 4.320 0.000 0.000 0.300 244 A C -2.829 174.750 177.584 -0.008 0.000 1.124 244 A CA -1.780 50.254 52.037 -0.005 0.000 0.766 244 A CB 1.290 20.296 19.000 0.010 0.000 1.328 244 A HN 0.683 nan 8.150 nan 0.000 0.424 245 P HA 0.396 nan 4.420 nan 0.000 0.271 245 P C -2.658 174.638 177.300 -0.006 0.000 1.218 245 P CA -1.050 62.041 63.100 -0.014 0.000 0.780 245 P CB -0.304 31.383 31.700 -0.022 0.000 0.901 246 P HA 0.100 nan 4.420 nan 0.000 0.269 246 P C -0.513 176.788 177.300 0.002 0.000 1.252 246 P CA 0.384 63.487 63.100 0.005 0.000 0.780 246 P CB 0.328 32.030 31.700 0.004 0.000 0.829 251 S N 1.311 117.064 115.700 0.089 0.000 2.430 251 S HA 0.783 5.253 4.470 0.000 0.000 0.289 251 S C 0.005 174.670 174.600 0.109 0.000 1.143 251 S CA -0.146 58.110 58.200 0.093 0.000 1.067 251 S CB -0.124 63.111 63.200 0.058 0.000 0.964 251 S HN 0.539 nan 8.310 nan 0.000 0.485 252 L N 2.391 123.707 121.223 0.154 0.000 2.464 252 L HA 0.841 5.181 4.340 0.000 0.000 0.266 252 L C -0.486 176.440 176.870 0.094 0.000 0.965 252 L CA -0.966 53.980 54.840 0.177 0.000 0.833 252 L CB 1.883 44.151 42.059 0.347 0.000 1.296 252 L HN 0.529 nan 8.230 nan 0.000 0.405 253 V N 1.207 121.154 119.914 0.056 0.000 2.516 253 V HA 0.829 4.949 4.120 0.000 0.000 0.271 253 V C 0.250 176.347 176.094 0.006 0.000 0.992 253 V CA 0.225 62.527 62.300 0.004 0.000 0.857 253 V CB 1.564 33.386 31.823 -0.001 0.000 1.047 253 V HN 0.784 nan 8.190 nan 0.000 0.455 254 G N 3.701 112.501 108.800 0.001 0.000 3.705 254 G HA2 0.461 4.421 3.960 0.000 0.000 0.237 254 G HA3 0.461 4.421 3.960 0.000 0.000 0.237 254 G C -1.264 173.639 174.900 0.006 0.000 3.926 254 G CA -0.333 44.767 45.100 -0.000 0.000 0.492 254 G HN 0.907 nan 8.290 nan 0.000 0.257 255 L N 1.540 122.747 121.223 -0.027 0.000 2.261 255 L HA 0.491 4.832 4.340 0.000 0.000 0.289 255 L C 0.339 177.194 176.870 -0.026 0.000 1.059 255 L CA -0.656 54.174 54.840 -0.017 0.000 0.816 255 L CB 0.997 43.010 42.059 -0.076 0.000 1.191 255 L HN 0.325 nan 8.230 nan 0.000 0.431 256 E N 4.864 125.067 120.200 0.004 0.000 2.257 256 E HA 0.050 4.400 4.350 0.000 0.000 0.278 256 E C 0.770 177.367 176.600 -0.006 0.000 1.049 256 E CA 0.083 56.481 56.400 -0.003 0.000 0.876 256 E CB 0.839 30.548 29.700 0.014 0.000 1.035 256 E HN 0.692 nan 8.360 nan 0.000 0.419 257 I N 1.041 121.596 120.570 -0.024 0.000 4.018 257 I HA 0.334 4.504 4.170 0.000 0.000 0.337 257 I C 0.760 176.869 176.117 -0.013 0.000 1.327 257 I CA 0.033 61.316 61.300 -0.027 0.000 1.100 257 I CB 0.625 38.589 38.000 -0.061 0.000 1.025 257 I HN 0.271 nan 8.210 nan 0.000 0.396 258 A N 0.845 123.663 122.820 -0.004 0.000 2.610 258 A HA 0.355 4.675 4.320 0.000 0.000 0.291 258 A C 0.312 177.907 177.584 0.018 0.000 1.116 258 A CA -0.448 51.592 52.037 0.005 0.000 0.963 258 A CB -0.006 18.994 19.000 0.001 0.000 1.220 258 A HN 0.226 nan 8.150 nan 0.000 0.530 259 K N 0.638 121.051 120.400 0.022 0.000 2.416 259 K HA 0.358 4.678 4.320 0.000 0.000 0.283 259 K C 1.308 177.928 176.600 0.033 0.000 1.037 259 K CA 0.268 56.576 56.287 0.035 0.000 0.995 259 K CB 1.036 33.557 32.500 0.036 0.000 0.938 259 K HN 0.343 nan 8.250 nan 0.000 0.475 260 A N 3.961 126.811 122.820 0.051 0.000 1.930 260 A HA -0.027 4.293 4.320 0.000 0.000 0.217 260 A C 0.635 178.212 177.584 -0.011 0.000 1.175 260 A CA 0.951 53.008 52.037 0.033 0.000 0.627 260 A CB 0.376 19.416 19.000 0.067 0.000 0.815 260 A HN 0.412 nan 8.150 nan 0.000 0.443 261 V N 0.293 120.203 119.914 -0.006 0.000 2.444 261 V HA 0.227 4.348 4.120 0.000 0.000 0.294 261 V C 0.282 176.343 176.094 -0.054 0.000 1.022 261 V CA -0.185 62.048 62.300 -0.111 0.000 0.850 261 V CB 1.575 33.192 31.823 -0.344 0.000 0.992 261 V HN 0.508 nan 8.190 nan 0.000 0.426 262 D N 3.300 123.660 120.400 -0.066 0.000 2.271 262 D HA 0.245 4.885 4.640 0.000 0.000 0.206 262 D C 0.703 176.977 176.300 -0.043 0.000 0.967 262 D CA 1.326 55.304 54.000 -0.037 0.000 0.867 262 D CB 0.589 41.369 40.800 -0.034 0.000 0.960 262 D HN 0.745 nan 8.370 nan 0.000 0.509 263 G N -0.898 107.856 108.800 -0.076 0.000 2.673 263 G HA2 0.469 4.429 3.960 0.000 0.000 0.292 263 G HA3 0.469 4.429 3.960 0.000 0.000 0.292 263 G C -2.029 172.820 174.900 -0.085 0.000 1.450 263 G CA -0.437 44.627 45.100 -0.060 0.000 0.837 263 G HN 0.083 nan 8.290 nan 0.000 0.505 264 V N -0.130 119.760 119.914 -0.040 0.000 2.628 264 V HA 0.827 4.947 4.120 0.000 0.000 0.306 264 V C -0.737 175.364 176.094 0.012 0.000 1.045 264 V CA -0.626 61.657 62.300 -0.029 0.000 0.905 264 V CB 1.884 33.711 31.823 0.007 0.000 0.997 264 V HN 0.836 nan 8.190 nan 0.000 0.436 265 E N 4.366 124.584 120.200 0.030 0.000 2.317 265 E HA 0.494 4.845 4.350 0.000 0.000 0.270 265 E C -2.159 174.532 176.600 0.150 0.000 0.885 265 E CA -0.618 55.821 56.400 0.064 0.000 0.760 265 E CB 2.816 32.531 29.700 0.024 0.000 1.227 265 E HN 0.648 nan 8.360 nan 0.000 0.434 266 Y N 1.958 122.258 120.300 -0.000 0.000 2.361 266 Y HA 0.387 4.938 4.550 0.001 0.000 0.328 266 Y C -1.993 173.911 175.900 0.007 0.000 1.044 266 Y CA -1.166 56.938 58.100 0.007 0.000 1.085 266 Y CB 1.583 40.049 38.460 0.010 0.000 1.194 266 Y HN 0.448 nan 8.280 nan 0.000 0.438 267 D N 4.389 124.599 120.400 -0.317 0.000 2.542 267 D HA 0.546 5.186 4.640 0.000 0.000 0.252 267 D C -0.195 175.864 176.300 -0.401 0.000 1.222 267 D CA 0.104 53.867 54.000 -0.395 0.000 0.895 267 D CB 1.883 42.596 40.800 -0.145 0.000 1.207 267 D HN 0.701 nan 8.370 nan 0.000 0.558 268 A N 3.351 125.849 122.820 -0.536 0.000 2.132 268 A HA 0.050 4.370 4.320 0.000 0.000 0.213 268 A C 1.044 178.567 177.584 -0.102 0.000 1.154 268 A CA 0.075 51.965 52.037 -0.244 0.000 0.753 268 A CB 0.052 18.936 19.000 -0.194 0.000 0.826 268 A HN 0.447 nan 8.150 nan 0.000 0.469 269 D N 1.377 121.708 120.400 -0.114 0.000 2.608 269 D HA 0.199 4.839 4.640 0.000 0.000 0.224 269 D C -0.342 175.941 176.300 -0.027 0.000 1.123 269 D CA 0.329 54.296 54.000 -0.055 0.000 1.030 269 D CB -0.258 40.509 40.800 -0.055 0.000 1.093 269 D HN 0.270 nan 8.370 nan 0.000 0.497 270 Q N 0.543 120.335 119.800 -0.013 0.000 2.345 270 Q HA 0.741 5.081 4.340 0.000 0.000 0.275 270 Q C -1.403 174.601 176.000 0.007 0.000 1.063 270 Q CA -1.039 54.767 55.803 0.006 0.000 0.819 270 Q CB 2.432 31.176 28.738 0.009 0.000 1.356 270 Q HN 0.303 nan 8.270 nan 0.000 0.418 271 A N 1.714 124.538 122.820 0.007 0.000 2.517 271 A HA 0.562 4.883 4.320 0.000 0.000 0.297 271 A C -1.408 176.149 177.584 -0.045 0.000 1.050 271 A CA -0.684 51.345 52.037 -0.013 0.000 0.694 271 A CB 1.791 20.785 19.000 -0.010 0.000 1.277 271 A HN 0.517 nan 8.150 nan 0.000 0.400 272 K N 2.017 122.370 120.400 -0.078 0.000 2.183 272 K HA 0.632 4.953 4.320 0.000 0.000 0.274 272 K C -1.274 175.176 176.600 -0.250 0.000 1.009 272 K CA -0.319 55.877 56.287 -0.152 0.000 0.888 272 K CB 1.187 33.624 32.500 -0.105 0.000 1.078 272 K HN 0.467 nan 8.250 nan 0.000 0.459 273 V N 2.916 122.520 119.914 -0.517 0.000 2.459 273 V HA 0.620 4.741 4.120 0.000 0.000 0.295 273 V C -0.451 175.290 176.094 -0.588 0.000 1.029 273 V CA -0.853 61.091 62.300 -0.593 0.000 0.874 273 V CB 1.254 32.585 31.823 -0.821 0.000 0.985 273 V HN 0.917 nan 8.190 nan 0.000 0.438 274 A N 5.161 127.814 122.820 -0.278 0.000 2.371 274 A HA 0.835 5.156 4.320 0.000 0.000 0.311 274 A C -1.077 176.465 177.584 -0.071 0.000 1.068 274 A CA -0.559 51.391 52.037 -0.145 0.000 0.744 274 A CB 1.320 20.268 19.000 -0.086 0.000 1.239 274 A HN 0.806 nan 8.150 nan 0.000 0.435 275 L N 3.249 124.463 121.223 -0.015 0.000 2.265 275 L HA 0.443 4.783 4.340 0.000 0.000 0.289 275 L C -0.930 175.937 176.870 -0.005 0.000 1.033 275 L CA -0.442 54.394 54.840 -0.007 0.000 0.814 275 L CB 0.988 43.049 42.059 0.002 0.000 1.203 275 L HN 0.653 nan 8.230 nan 0.000 0.423 276 L N 4.703 125.918 121.223 -0.013 0.000 2.343 276 L HA 0.460 4.801 4.340 0.000 0.000 0.275 276 L C 0.817 177.683 176.870 -0.007 0.000 1.056 276 L CA -0.728 54.107 54.840 -0.007 0.000 0.804 276 L CB 1.116 43.169 42.059 -0.011 0.000 1.203 276 L HN 0.625 nan 8.230 nan 0.000 0.440 277 R N 1.294 121.795 120.500 0.002 0.000 3.333 277 R HA -0.147 4.193 4.340 0.000 0.000 0.256 277 R C -0.594 175.705 176.300 -0.002 0.000 1.010 277 R CA 0.359 56.462 56.100 0.005 0.000 0.680 277 R CB -1.038 29.264 30.300 0.004 0.000 1.102 277 R HN 0.518 nan 8.270 nan 0.000 0.440 278 V N -1.478 118.435 119.914 -0.003 0.000 2.904 278 V HA 0.680 4.800 4.120 0.000 0.000 0.305 278 V C -1.984 174.109 176.094 -0.002 0.000 1.067 278 V CA -1.815 60.479 62.300 -0.011 0.000 1.044 278 V CB 1.263 33.076 31.823 -0.016 0.000 1.050 278 V HN 0.055 nan 8.190 nan 0.000 0.475 279 P HA 0.170 nan 4.420 nan 0.000 0.268 279 P C -0.880 176.418 177.300 -0.004 0.000 1.204 279 P CA 0.274 63.376 63.100 0.002 0.000 0.768 279 P CB 0.249 31.951 31.700 0.003 0.000 0.842 280 D N 3.799 124.197 120.400 -0.003 0.000 2.563 280 D HA 0.127 4.767 4.640 0.000 0.000 0.222 280 D C -0.165 176.115 176.300 -0.033 0.000 1.145 280 D CA -0.371 53.619 54.000 -0.017 0.000 1.001 280 D CB -0.329 40.463 40.800 -0.013 0.000 1.049 280 D HN 0.284 nan 8.370 nan 0.000 0.515 281 R N 0.591 121.073 120.500 -0.030 0.000 2.739 281 R HA 0.682 5.023 4.340 0.000 0.000 0.271 281 R C -3.014 173.267 176.300 -0.032 0.000 1.010 281 R CA -1.990 54.092 56.100 -0.031 0.000 0.897 281 R CB 0.322 30.611 30.300 -0.019 0.000 1.236 281 R HN -0.112 nan 8.270 nan 0.000 0.466 282 P HA 0.074 nan 4.420 nan 0.000 0.266 282 P C 0.497 177.788 177.300 -0.015 0.000 1.195 282 P CA 1.433 64.517 63.100 -0.027 0.000 0.768 282 P CB 0.787 32.474 31.700 -0.021 0.000 0.838 283 G N 0.533 109.328 108.800 -0.009 0.000 2.284 283 G HA2 -0.284 3.676 3.960 0.000 0.000 0.216 283 G HA3 -0.284 3.676 3.960 0.000 0.000 0.216 283 G C 0.977 175.884 174.900 0.011 0.000 1.009 283 G CA 0.168 45.273 45.100 0.008 0.000 0.625 283 G HN 0.376 nan 8.290 nan 0.000 0.501 284 V N 1.670 121.579 119.914 -0.008 0.000 2.237 284 V HA 0.039 4.159 4.120 0.000 0.000 0.245 284 V C 3.301 179.395 176.094 -0.001 0.000 1.046 284 V CA 3.274 65.566 62.300 -0.014 0.000 1.007 284 V CB -1.269 30.538 31.823 -0.027 0.000 0.638 284 V HN 0.988 nan 8.190 nan 0.000 0.445 285 A N -0.661 122.156 122.820 -0.006 0.000 1.902 285 A HA -0.252 4.068 4.320 0.000 0.000 0.217 285 A C 2.543 180.300 177.584 0.289 0.000 1.181 285 A CA 2.259 54.342 52.037 0.076 0.000 0.623 285 A CB -0.968 17.908 19.000 -0.206 0.000 0.818 285 A HN 0.480 nan 8.150 nan 0.000 0.443 286 S N -0.313 115.521 115.700 0.224 0.000 2.380 286 S HA -0.317 4.153 4.470 0.000 0.000 0.229 286 S C 2.152 176.863 174.600 0.185 0.000 1.050 286 S CA 2.408 60.760 58.200 0.253 0.000 1.100 286 S CB -0.363 62.922 63.200 0.141 0.000 0.984 286 S HN 0.657 nan 8.310 nan 0.000 0.434 287 K N 0.440 120.894 120.400 0.090 0.000 2.026 287 K HA -0.014 4.306 4.320 0.000 0.000 0.208 287 K C 2.305 178.905 176.600 -0.000 0.000 1.048 287 K CA 1.396 57.707 56.287 0.040 0.000 0.929 287 K CB -0.498 32.008 32.500 0.009 0.000 0.713 287 K HN 0.440 nan 8.250 nan 0.000 0.439 288 L N 0.240 121.420 121.223 -0.071 0.000 1.976 288 L HA -0.268 4.072 4.340 0.000 0.000 0.223 288 L C 2.216 178.916 176.870 -0.284 0.000 1.081 288 L CA 2.031 56.715 54.840 -0.261 0.000 0.784 288 L CB -0.350 41.394 42.059 -0.526 0.000 0.896 288 L HN 0.266 nan 8.230 nan 0.000 0.438 289 F N -0.790 119.170 119.950 0.017 0.000 2.367 289 F HA -0.047 4.480 4.527 0.000 0.000 0.298 289 F C 2.653 178.446 175.800 -0.011 0.000 1.094 289 F CA 0.560 58.547 58.000 -0.022 0.000 1.409 289 F CB -0.406 38.635 39.000 0.069 0.000 1.064 289 F HN -0.022 nan 8.300 nan 0.000 0.528 290 R N 0.577 121.183 120.500 0.176 0.000 2.080 290 R HA -0.173 4.167 4.340 0.000 0.000 0.236 290 R C 1.784 178.111 176.300 0.045 0.000 1.137 290 R CA 1.948 58.110 56.100 0.102 0.000 0.943 290 R CB -0.642 29.712 30.300 0.089 0.000 0.846 290 R HN 0.225 nan 8.270 nan 0.000 0.431 291 D N 0.575 120.983 120.400 0.014 0.000 2.097 291 D HA -0.141 4.500 4.640 0.000 0.000 0.195 291 D C 1.965 178.255 176.300 -0.016 0.000 0.989 291 D CA 1.122 55.117 54.000 -0.008 0.000 0.827 291 D CB -0.310 40.477 40.800 -0.023 0.000 0.966 291 D HN 0.239 nan 8.370 nan 0.000 0.456 292 I N 1.235 121.781 120.570 -0.040 0.000 2.248 292 I HA -0.283 3.888 4.170 0.000 0.000 0.248 292 I C 2.412 178.523 176.117 -0.010 0.000 1.107 292 I CA 1.193 62.466 61.300 -0.044 0.000 1.373 292 I CB -0.251 37.671 38.000 -0.131 0.000 1.055 292 I HN -0.062 nan 8.210 nan 0.000 0.418 293 A N -0.096 122.731 122.820 0.011 0.000 2.014 293 A HA -0.193 4.128 4.320 0.000 0.000 0.218 293 A C 2.227 179.804 177.584 -0.011 0.000 1.163 293 A CA 1.067 53.106 52.037 0.004 0.000 0.652 293 A CB -0.458 18.552 19.000 0.018 0.000 0.808 293 A HN 0.456 nan 8.150 nan 0.000 0.449 294 Q N -0.641 119.156 119.800 -0.005 0.000 2.234 294 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 294 Q C 1.462 177.455 176.000 -0.012 0.000 0.980 294 Q CA 1.156 56.953 55.803 -0.010 0.000 0.869 294 Q CB -0.073 28.662 28.738 -0.005 0.000 0.912 294 Q HN 0.565 nan 8.270 nan 0.000 0.436 295 Q N 0.128 119.923 119.800 -0.008 0.000 2.482 295 Q HA -0.045 4.295 4.340 0.000 0.000 0.209 295 Q C -0.173 175.822 176.000 -0.009 0.000 0.961 295 Q CA 0.445 56.245 55.803 -0.005 0.000 0.945 295 Q CB 0.293 29.033 28.738 0.004 0.000 1.012 295 Q HN 0.410 nan 8.270 nan 0.000 0.515 296 Q N -0.818 118.971 119.800 -0.019 0.000 2.487 296 Q HA -0.140 4.200 4.340 0.000 0.000 0.279 296 Q C -0.903 175.088 176.000 -0.016 0.000 1.228 296 Q CA 0.166 55.951 55.803 -0.030 0.000 0.873 296 Q CB -2.007 26.712 28.738 -0.031 0.000 1.260 296 Q HN 0.054 nan 8.270 nan 0.000 0.471 297 V N 1.441 121.353 119.914 -0.003 0.000 2.368 297 V HA 0.149 4.269 4.120 0.000 0.000 0.266 297 V C 0.288 176.394 176.094 0.021 0.000 1.045 297 V CA -0.285 62.026 62.300 0.019 0.000 0.899 297 V CB 1.371 33.216 31.823 0.037 0.000 1.006 297 V HN 0.223 nan 8.190 nan 0.000 0.470 298 D N 4.769 125.184 120.400 0.025 0.000 2.345 298 D HA 0.354 4.994 4.640 0.000 0.000 0.247 298 D C -0.321 176.018 176.300 0.065 0.000 1.108 298 D CA 0.065 54.084 54.000 0.031 0.000 0.894 298 D CB 0.739 41.554 40.800 0.026 0.000 1.203 298 D HN 0.411 nan 8.370 nan 0.000 0.430 299 I N 2.762 123.371 120.570 0.065 0.000 2.530 299 I HA 0.234 4.405 4.170 0.000 0.000 0.297 299 I C 0.479 176.653 176.117 0.094 0.000 1.011 299 I CA -0.762 60.603 61.300 0.109 0.000 1.107 299 I CB 1.935 39.989 38.000 0.090 0.000 1.285 299 I HN 0.506 nan 8.210 nan 0.000 0.436 300 D N 4.035 124.513 120.400 0.130 0.000 2.525 300 D HA 0.240 4.880 4.640 0.000 0.000 0.261 300 D C 0.386 176.750 176.300 0.106 0.000 1.379 300 D CA 0.425 54.481 54.000 0.094 0.000 1.074 300 D CB 0.050 40.898 40.800 0.080 0.000 0.939 300 D HN 0.275 nan 8.370 nan 0.000 0.272 301 L N 1.161 122.459 121.223 0.125 0.000 2.490 301 L HA 0.211 4.551 4.340 0.000 0.000 0.274 301 L C -0.176 176.815 176.870 0.201 0.000 1.201 301 L CA 0.312 55.232 54.840 0.133 0.000 0.869 301 L CB 0.516 42.643 42.059 0.113 0.000 1.123 301 L HN 0.258 nan 8.230 nan 0.000 0.484 302 I N 5.114 125.785 120.570 0.168 0.000 2.468 302 I HA 0.412 4.582 4.170 0.000 0.000 0.285 302 I C -0.590 175.626 176.117 0.164 0.000 1.039 302 I CA -0.268 61.160 61.300 0.213 0.000 1.074 302 I CB 1.750 39.826 38.000 0.127 0.000 1.228 302 I HN 0.431 nan 8.210 nan 0.000 0.436 303 I N 6.023 126.696 120.570 0.171 0.000 2.447 303 I HA 0.396 4.566 4.170 0.000 0.000 0.287 303 I C -0.646 175.533 176.117 0.104 0.000 1.023 303 I CA -0.476 60.893 61.300 0.116 0.000 1.083 303 I CB 2.051 40.107 38.000 0.093 0.000 1.245 303 I HN 0.581 nan 8.210 nan 0.000 0.434 304 Q N 5.080 124.922 119.800 0.070 0.000 2.294 304 Q HA 0.382 4.722 4.340 0.000 0.000 0.264 304 Q C -1.177 174.845 176.000 0.038 0.000 0.992 304 Q CA -0.183 55.649 55.803 0.047 0.000 0.747 304 Q CB 2.312 31.059 28.738 0.015 0.000 1.262 304 Q HN 0.775 nan 8.270 nan 0.000 0.452 305 S N 3.396 119.119 115.700 0.038 0.000 2.481 305 S HA 0.486 4.956 4.470 0.000 0.000 0.267 305 S C 0.363 174.977 174.600 0.023 0.000 1.174 305 S CA -0.724 57.498 58.200 0.035 0.000 1.027 305 S CB 0.347 63.568 63.200 0.035 0.000 1.117 305 S HN 0.741 nan 8.310 nan 0.000 0.495 306 I N 1.279 121.850 120.570 0.002 0.000 2.779 306 I HA 0.213 4.383 4.170 0.000 0.000 0.285 306 I C 0.321 176.408 176.117 -0.051 0.000 1.134 306 I CA -0.589 60.699 61.300 -0.021 0.000 1.398 306 I CB 0.560 38.510 38.000 -0.084 0.000 1.404 306 I HN 0.899 nan 8.210 nan 0.000 0.587 307 H N 3.994 123.054 119.070 -0.016 0.000 2.836 307 H HA 0.168 4.724 4.556 0.000 0.000 0.368 307 H C -0.932 174.387 175.328 -0.016 0.000 1.164 307 H CA -0.614 55.425 56.048 -0.016 0.000 1.425 307 H CB 0.342 30.094 29.762 -0.017 0.000 1.414 307 H HN 0.435 nan 8.280 nan 0.000 0.614 308 D N 1.875 122.278 120.400 0.005 0.000 2.454 308 D HA 0.301 4.941 4.640 0.000 0.000 0.247 308 D C 0.985 177.340 176.300 0.092 0.000 1.129 308 D CA 0.592 54.572 54.000 -0.033 0.000 0.877 308 D CB 0.421 41.210 40.800 -0.018 0.000 1.082 308 D HN 1.036 nan 8.370 nan 0.000 0.537 309 G N 4.870 113.755 108.800 0.142 0.000 2.591 309 G HA2 -0.363 3.597 3.960 0.000 0.000 0.298 309 G HA3 -0.363 3.597 3.960 0.000 0.000 0.298 309 G C 0.800 175.816 174.900 0.194 0.000 1.195 309 G CA 0.449 45.648 45.100 0.166 0.000 0.989 309 G HN 0.672 nan 8.290 nan 0.000 0.551 310 N N 1.561 120.316 118.700 0.091 0.000 2.370 310 N HA 0.223 4.963 4.740 0.000 0.000 0.198 310 N C 0.677 176.213 175.510 0.042 0.000 1.156 310 N CA 1.322 54.398 53.050 0.043 0.000 0.839 310 N CB 0.194 38.700 38.487 0.031 0.000 0.989 310 N HN 1.368 nan 8.380 nan 0.000 0.468 311 S N -1.018 114.726 115.700 0.073 0.000 2.705 311 S HA 0.571 5.041 4.470 0.000 0.000 0.280 311 S C -1.068 173.575 174.600 0.071 0.000 1.174 311 S CA -0.920 57.312 58.200 0.053 0.000 0.823 311 S CB 2.397 65.619 63.200 0.038 0.000 1.162 311 S HN 0.125 nan 8.310 nan 0.000 0.487 312 N N -0.466 118.260 118.700 0.044 0.000 2.853 312 N HA 0.501 5.242 4.740 0.000 0.000 0.258 312 N C -2.349 173.175 175.510 0.024 0.000 1.444 312 N CA -0.395 52.680 53.050 0.041 0.000 0.837 312 N CB 2.117 40.631 38.487 0.044 0.000 1.489 312 N HN 0.739 nan 8.380 nan 0.000 0.529 313 D N 0.567 120.981 120.400 0.024 0.000 2.272 313 D HA 0.531 5.171 4.640 0.000 0.000 0.247 313 D C -0.222 176.103 176.300 0.041 0.000 0.990 313 D CA -0.094 53.920 54.000 0.024 0.000 0.931 313 D CB 1.780 42.592 40.800 0.019 0.000 1.195 313 D HN 0.362 nan 8.370 nan 0.000 0.477 314 I N 0.705 121.311 120.570 0.059 0.000 2.478 314 I HA 0.498 4.669 4.170 0.000 0.000 0.287 314 I C -0.599 175.615 176.117 0.161 0.000 1.042 314 I CA -0.810 60.566 61.300 0.127 0.000 1.067 314 I CB 1.912 39.998 38.000 0.144 0.000 1.233 314 I HN 0.293 nan 8.210 nan 0.000 0.431 315 A N 6.615 129.549 122.820 0.190 0.000 2.355 315 A HA 0.974 5.294 4.320 0.000 0.000 0.324 315 A C -1.018 176.753 177.584 0.311 0.000 1.117 315 A CA -0.388 51.727 52.037 0.130 0.000 0.785 315 A CB 1.230 20.259 19.000 0.049 0.000 1.254 315 A HN 0.664 nan 8.150 nan 0.000 0.453 316 F N -0.641 119.401 119.950 0.153 0.000 2.662 316 F HA 0.848 5.375 4.527 0.001 0.000 0.312 316 F C -0.162 175.709 175.800 0.118 0.000 1.113 316 F CA -0.441 57.669 58.000 0.184 0.000 0.951 316 F CB 1.468 40.671 39.000 0.338 0.000 1.344 316 F HN 0.641 nan 8.300 nan 0.000 0.462 317 T N 0.048 114.769 114.554 0.279 0.000 2.908 317 T HA 0.836 5.186 4.350 0.000 0.000 0.290 317 T C -0.786 174.060 174.700 0.244 0.000 1.034 317 T CA -0.304 61.883 62.100 0.144 0.000 1.010 317 T CB 1.564 70.484 68.868 0.087 0.000 1.068 317 T HN 1.772 nan 8.240 nan 0.000 0.481 318 V N -0.991 119.017 119.914 0.156 0.000 3.181 318 V HA 0.806 4.926 4.120 0.000 0.000 0.308 318 V C -0.197 175.944 176.094 0.078 0.000 1.214 318 V CA -1.259 61.132 62.300 0.151 0.000 1.053 318 V CB 1.393 33.332 31.823 0.194 0.000 1.069 318 V HN 0.898 nan 8.190 nan 0.000 0.441 319 V N 2.476 122.427 119.914 0.062 0.000 2.694 319 V HA 0.067 4.187 4.120 0.000 0.000 0.306 319 V C 1.867 177.978 176.094 0.028 0.000 1.054 319 V CA 0.532 62.852 62.300 0.033 0.000 1.161 319 V CB 0.549 32.387 31.823 0.026 0.000 0.916 319 V HN 1.024 nan 8.190 nan 0.000 0.490 320 K N 2.645 123.053 120.400 0.014 0.000 2.107 320 K HA -0.228 4.092 4.320 0.000 0.000 0.211 320 K C 1.530 178.138 176.600 0.014 0.000 1.049 320 K CA 2.072 58.365 56.287 0.011 0.000 0.927 320 K CB -0.184 32.319 32.500 0.004 0.000 0.714 320 K HN 0.976 nan 8.250 nan 0.000 0.452 321 D N 0.117 120.525 120.400 0.014 0.000 2.363 321 D HA -0.114 4.526 4.640 0.000 0.000 0.220 321 D C 1.364 177.676 176.300 0.021 0.000 0.994 321 D CA 0.550 54.558 54.000 0.014 0.000 0.890 321 D CB 0.098 40.904 40.800 0.010 0.000 0.906 321 D HN 0.047 nan 8.370 nan 0.000 0.530 322 L N -0.038 121.203 121.223 0.031 0.000 2.616 322 L HA 0.242 4.583 4.340 0.000 0.000 0.229 322 L C 1.825 178.727 176.870 0.054 0.000 1.110 322 L CA 0.112 54.979 54.840 0.044 0.000 0.884 322 L CB -0.415 41.679 42.059 0.058 0.000 1.115 322 L HN 0.034 nan 8.230 nan 0.000 0.481 323 L N 0.250 121.498 121.223 0.041 0.000 2.013 323 L HA -0.249 4.091 4.340 0.000 0.000 0.212 323 L C 2.153 179.041 176.870 0.028 0.000 1.073 323 L CA 1.859 56.718 54.840 0.031 0.000 0.753 323 L CB -0.686 41.378 42.059 0.008 0.000 0.890 323 L HN 0.299 nan 8.230 nan 0.000 0.432 324 N N -0.842 117.871 118.700 0.021 0.000 2.069 324 N HA -0.166 4.574 4.740 0.000 0.000 0.191 324 N C 1.763 177.289 175.510 0.026 0.000 1.031 324 N CA 2.009 55.069 53.050 0.017 0.000 0.852 324 N CB -0.833 37.661 38.487 0.012 0.000 1.018 324 N HN 0.447 nan 8.380 nan 0.000 0.423 325 T N 1.059 115.633 114.554 0.033 0.000 2.684 325 T HA -0.115 4.236 4.350 0.000 0.000 0.267 325 T C 1.942 176.675 174.700 0.056 0.000 1.036 325 T CA 1.633 63.755 62.100 0.037 0.000 1.148 325 T CB -0.468 68.423 68.868 0.037 0.000 0.863 325 T HN 0.372 nan 8.240 nan 0.000 0.436 326 A N 1.151 124.022 122.820 0.085 0.000 1.933 326 A HA -0.145 4.175 4.320 0.000 0.000 0.218 326 A C 2.223 179.886 177.584 0.131 0.000 1.175 326 A CA 1.960 54.086 52.037 0.150 0.000 0.628 326 A CB -0.587 18.558 19.000 0.242 0.000 0.814 326 A HN 0.656 nan 8.150 nan 0.000 0.444 327 E N -0.093 120.148 120.200 0.068 0.000 2.072 327 E HA -0.083 4.267 4.350 0.000 0.000 0.191 327 E C 2.148 178.767 176.600 0.031 0.000 0.985 327 E CA 0.964 57.385 56.400 0.035 0.000 0.801 327 E CB -0.272 29.430 29.700 0.003 0.000 0.750 327 E HN 0.502 nan 8.360 nan 0.000 0.452 328 A N 0.777 123.613 122.820 0.027 0.000 1.883 328 A HA -0.153 4.167 4.320 0.000 0.000 0.217 328 A C 2.427 180.023 177.584 0.019 0.000 1.186 328 A CA 1.682 53.729 52.037 0.017 0.000 0.624 328 A CB -0.823 18.185 19.000 0.014 0.000 0.822 328 A HN 0.230 nan 8.150 nan 0.000 0.444 329 V N -0.205 119.726 119.914 0.029 0.000 2.295 329 V HA -0.249 3.871 4.120 0.000 0.000 0.246 329 V C 2.723 178.827 176.094 0.017 0.000 1.049 329 V CA 2.510 64.822 62.300 0.020 0.000 1.024 329 V CB -1.504 30.333 31.823 0.023 0.000 0.648 329 V HN 0.606 nan 8.190 nan 0.000 0.447 330 T N -0.291 114.289 114.554 0.044 0.000 2.684 330 T HA -0.198 4.152 4.350 0.000 0.000 0.267 330 T C 2.085 176.791 174.700 0.009 0.000 1.036 330 T CA 1.897 64.021 62.100 0.040 0.000 1.148 330 T CB -0.355 68.580 68.868 0.111 0.000 0.863 330 T HN 0.461 nan 8.240 nan 0.000 0.436 331 S N 0.788 116.493 115.700 0.008 0.000 2.440 331 S HA 0.002 4.472 4.470 0.000 0.000 0.238 331 S C 2.251 176.845 174.600 -0.011 0.000 1.010 331 S CA 0.843 59.040 58.200 -0.005 0.000 0.972 331 S CB -0.284 62.914 63.200 -0.005 0.000 0.774 331 S HN 0.596 nan 8.310 nan 0.000 0.501 332 A N 0.641 123.456 122.820 -0.009 0.000 2.014 332 A HA 0.281 4.601 4.320 0.000 0.000 0.210 332 A C 1.855 179.428 177.584 -0.018 0.000 1.188 332 A CA 0.195 52.224 52.037 -0.012 0.000 0.731 332 A CB -0.261 18.735 19.000 -0.008 0.000 0.858 332 A HN 0.477 nan 8.150 nan 0.000 0.464 333 I N 0.064 120.621 120.570 -0.022 0.000 2.439 333 I HA -0.172 3.998 4.170 0.000 0.000 0.251 333 I C 2.870 178.966 176.117 -0.035 0.000 1.139 333 I CA 0.794 62.076 61.300 -0.030 0.000 1.438 333 I CB -0.391 37.583 38.000 -0.044 0.000 1.085 333 I HN 0.297 nan 8.210 nan 0.000 0.427 334 A N 1.822 124.621 122.820 -0.035 0.000 1.927 334 A HA -0.184 4.137 4.320 0.000 0.000 0.220 334 A C 0.070 177.625 177.584 -0.048 0.000 1.185 334 A CA 2.155 54.167 52.037 -0.041 0.000 0.639 334 A CB -2.002 16.976 19.000 -0.036 0.000 0.820 334 A HN 0.294 nan 8.150 nan 0.000 0.451 335 P HA -0.046 nan 4.420 nan 0.000 0.217 335 P C 1.521 178.791 177.300 -0.051 0.000 1.150 335 P CA 1.664 64.731 63.100 -0.055 0.000 0.832 335 P CB -0.159 31.515 31.700 -0.044 0.000 0.787 336 A N -1.035 121.763 122.820 -0.037 0.000 2.234 336 A HA -0.110 4.210 4.320 0.000 0.000 0.216 336 A C 1.636 179.201 177.584 -0.031 0.000 1.167 336 A CA 1.210 53.230 52.037 -0.029 0.000 0.698 336 A CB -1.203 17.785 19.000 -0.021 0.000 0.779 336 A HN 0.087 nan 8.150 nan 0.000 0.475 337 L N -0.840 120.358 121.223 -0.042 0.000 2.616 337 L HA 0.173 4.513 4.340 0.000 0.000 0.229 337 L C 0.759 177.601 176.870 -0.047 0.000 1.110 337 L CA 0.531 55.347 54.840 -0.040 0.000 0.884 337 L CB -0.580 41.453 42.059 -0.044 0.000 1.115 337 L HN 0.333 nan 8.230 nan 0.000 0.481 338 R N 0.135 120.592 120.500 -0.071 0.000 2.296 338 R HA 0.094 4.435 4.340 0.000 0.000 0.323 338 R C 1.705 177.961 176.300 -0.074 0.000 1.067 338 R CA 0.582 56.613 56.100 -0.115 0.000 0.946 338 R CB 0.422 30.599 30.300 -0.205 0.000 0.991 338 R HN 0.205 nan 8.270 nan 0.000 0.448 339 S N 3.523 119.212 115.700 -0.019 0.000 2.461 339 S HA -0.294 4.176 4.470 0.000 0.000 0.266 339 S C 0.596 175.291 174.600 0.159 0.000 1.138 339 S CA 1.708 59.955 58.200 0.079 0.000 1.146 339 S CB -0.822 62.471 63.200 0.156 0.000 1.042 339 S HN 0.724 nan 8.310 nan 0.000 0.448 340 Y N -2.914 117.383 120.300 -0.004 0.000 2.534 340 Y HA 0.735 5.285 4.550 0.000 0.000 0.345 340 Y C -2.622 173.276 175.900 -0.003 0.000 1.031 340 Y CA -2.827 55.270 58.100 -0.004 0.000 1.022 340 Y CB 0.642 39.100 38.460 -0.003 0.000 1.292 340 Y HN -0.220 nan 8.280 nan 0.000 0.459 341 P HA -0.204 nan 4.420 nan 0.000 0.217 341 P C 0.240 177.459 177.300 -0.135 0.000 1.158 341 P CA 2.151 65.225 63.100 -0.044 0.000 0.887 341 P CB 0.271 31.992 31.700 0.036 0.000 0.792 342 E N -1.062 119.094 120.200 -0.073 0.000 2.416 342 E HA 0.202 4.552 4.350 0.000 0.000 0.189 342 E C 0.562 177.011 176.600 -0.252 0.000 1.091 342 E CA -0.038 56.333 56.400 -0.047 0.000 0.889 342 E CB -0.752 29.050 29.700 0.170 0.000 1.015 342 E HN 0.141 nan 8.360 nan 0.000 0.479 343 A N 1.342 123.707 122.820 -0.758 0.000 3.056 343 A HA 0.077 4.397 4.320 0.000 0.000 0.274 343 A C 0.228 177.642 177.584 -0.283 0.000 1.661 343 A CA -0.410 51.187 52.037 -0.733 0.000 1.363 343 A CB -0.162 18.157 19.000 -1.136 0.000 1.139 343 A HN -0.029 nan 8.150 nan 0.000 0.598 344 D N 0.977 121.292 120.400 -0.142 0.000 2.264 344 D HA -0.144 4.496 4.640 0.000 0.000 0.208 344 D C 1.555 177.820 176.300 -0.058 0.000 0.966 344 D CA 1.264 55.216 54.000 -0.081 0.000 0.864 344 D CB 0.028 40.803 40.800 -0.041 0.000 0.933 344 D HN 0.717 nan 8.370 nan 0.000 0.499 345 Q N 0.610 120.383 119.800 -0.045 0.000 2.369 345 Q HA 0.071 4.411 4.340 0.000 0.000 0.206 345 Q C 0.537 176.517 176.000 -0.033 0.000 0.963 345 Q CA 0.596 56.386 55.803 -0.022 0.000 0.894 345 Q CB -0.143 28.599 28.738 0.007 0.000 0.965 345 Q HN 0.339 nan 8.270 nan 0.000 0.475 346 E N 0.251 120.410 120.200 -0.068 0.000 2.283 346 E HA 0.506 4.857 4.350 0.000 0.000 0.267 346 E C -0.111 176.450 176.600 -0.063 0.000 1.045 346 E CA -0.253 56.108 56.400 -0.066 0.000 0.884 346 E CB 0.775 30.414 29.700 -0.101 0.000 1.106 346 E HN 0.191 nan 8.360 nan 0.000 0.408 347 A N 1.997 124.789 122.820 -0.047 0.000 2.745 347 A HA -0.251 4.069 4.320 0.000 0.000 0.296 347 A C 0.294 177.855 177.584 -0.039 0.000 1.500 347 A CA 1.347 53.358 52.037 -0.043 0.000 0.766 347 A CB -1.763 17.205 19.000 -0.054 0.000 1.030 347 A HN 0.597 nan 8.150 nan 0.000 0.489 348 E N 0.025 120.206 120.200 -0.032 0.000 2.313 348 E HA 0.542 4.892 4.350 0.000 0.000 0.276 348 E C 0.005 176.589 176.600 -0.027 0.000 1.031 348 E CA -0.534 55.848 56.400 -0.029 0.000 0.857 348 E CB 0.674 30.359 29.700 -0.025 0.000 1.040 348 E HN 0.836 nan 8.360 nan 0.000 0.408 349 I N 6.386 126.939 120.570 -0.028 0.000 2.412 349 I HA 0.415 4.586 4.170 0.000 0.000 0.296 349 I C -0.571 175.524 176.117 -0.037 0.000 0.987 349 I CA -0.764 60.517 61.300 -0.032 0.000 1.180 349 I CB 0.807 38.791 38.000 -0.027 0.000 1.340 349 I HN 0.634 nan 8.210 nan 0.000 0.455 350 I N 5.689 126.228 120.570 -0.050 0.000 3.145 350 I HA 0.761 4.931 4.170 0.000 0.000 0.313 350 I C -1.843 174.227 176.117 -0.078 0.000 1.122 350 I CA -0.807 60.461 61.300 -0.053 0.000 0.987 350 I CB 2.161 40.133 38.000 -0.046 0.000 1.236 350 I HN 0.451 nan 8.210 nan 0.000 0.453 351 V N 1.864 121.737 119.914 -0.069 0.000 2.932 351 V HA 0.511 4.631 4.120 0.000 0.000 0.307 351 V C -1.381 174.676 176.094 -0.062 0.000 1.147 351 V CA -0.141 62.111 62.300 -0.080 0.000 0.951 351 V CB 2.231 34.017 31.823 -0.062 0.000 1.031 351 V HN 0.956 nan 8.190 nan 0.000 0.426 352 E N 4.529 124.689 120.200 -0.066 0.000 2.302 352 E HA 0.366 4.716 4.350 0.000 0.000 0.263 352 E C -0.367 176.212 176.600 -0.036 0.000 0.897 352 E CA -0.461 55.912 56.400 -0.045 0.000 0.809 352 E CB 1.797 31.471 29.700 -0.044 0.000 1.270 352 E HN 0.612 nan 8.360 nan 0.000 0.410 353 K N 2.394 122.781 120.400 -0.023 0.000 2.284 353 K HA 0.126 4.446 4.320 0.000 0.000 0.198 353 K C 0.758 177.356 176.600 -0.003 0.000 1.048 353 K CA 0.587 56.866 56.287 -0.014 0.000 0.987 353 K CB 0.514 33.008 32.500 -0.010 0.000 0.800 353 K HN 0.505 nan 8.250 nan 0.000 0.486 354 G N 2.837 111.636 108.800 -0.001 0.000 4.198 354 G HA2 0.294 4.254 3.960 0.000 0.000 0.282 354 G HA3 0.294 4.254 3.960 0.000 0.000 0.282 354 G C 0.100 175.010 174.900 0.017 0.000 1.262 354 G CA -0.395 44.710 45.100 0.009 0.000 1.473 354 G HN 0.217 nan 8.290 nan 0.000 0.624 355 I N -2.273 118.309 120.570 0.019 0.000 2.910 355 I HA 0.967 5.137 4.170 0.000 0.000 0.310 355 I C -0.154 175.996 176.117 0.055 0.000 1.043 355 I CA -1.567 59.751 61.300 0.031 0.000 1.053 355 I CB 2.554 40.564 38.000 0.017 0.000 1.242 355 I HN 0.088 nan 8.210 nan 0.000 0.452 356 A N 2.694 125.564 122.820 0.082 0.000 2.498 356 A HA 0.649 4.970 4.320 0.000 0.000 0.298 356 A C -1.153 176.499 177.584 0.114 0.000 1.075 356 A CA -0.829 51.284 52.037 0.128 0.000 0.714 356 A CB 1.827 20.999 19.000 0.287 0.000 1.299 356 A HN 0.790 nan 8.150 nan 0.000 0.407 357 K N 1.918 122.380 120.400 0.103 0.000 2.235 357 K HA 0.662 4.982 4.320 0.000 0.000 0.266 357 K C -0.844 175.846 176.600 0.150 0.000 0.980 357 K CA -0.418 55.926 56.287 0.094 0.000 0.849 357 K CB 0.612 33.143 32.500 0.053 0.000 1.098 357 K HN 0.727 nan 8.250 nan 0.000 0.445 358 I N 0.105 120.756 120.570 0.134 0.000 2.740 358 I HA 0.853 5.023 4.170 0.000 0.000 0.303 358 I C -1.109 175.056 176.117 0.081 0.000 1.044 358 I CA -0.981 60.402 61.300 0.137 0.000 1.064 358 I CB 2.297 40.370 38.000 0.122 0.000 1.249 358 I HN 0.644 nan 8.210 nan 0.000 0.433 359 A N 5.191 128.044 122.820 0.056 0.000 2.572 359 A HA 0.795 5.115 4.320 0.000 0.000 0.295 359 A C -0.868 176.689 177.584 -0.046 0.000 1.072 359 A CA -0.755 51.287 52.037 0.008 0.000 0.691 359 A CB 1.739 20.739 19.000 0.001 0.000 1.291 359 A HN 0.926 nan 8.150 nan 0.000 0.404 360 I N -0.984 119.516 120.570 -0.116 0.000 2.460 360 I HA 0.893 5.064 4.170 0.000 0.000 0.298 360 I C -0.108 175.895 176.117 -0.189 0.000 0.989 360 I CA -0.803 60.355 61.300 -0.237 0.000 1.173 360 I CB 1.955 39.663 38.000 -0.487 0.000 1.338 360 I HN 0.805 nan 8.210 nan 0.000 0.456 361 A N 4.073 126.787 122.820 -0.176 0.000 2.414 361 A HA 0.981 5.302 4.320 0.000 0.000 0.306 361 A C -0.261 177.248 177.584 -0.125 0.000 1.054 361 A CA -0.373 51.591 52.037 -0.122 0.000 0.724 361 A CB 1.593 20.546 19.000 -0.079 0.000 1.267 361 A HN 1.377 nan 8.150 nan 0.000 0.418 362 G N -0.428 108.313 108.800 -0.097 0.000 2.299 362 G HA2 0.605 4.565 3.960 0.000 0.000 0.312 362 G HA3 0.605 4.565 3.960 0.000 0.000 0.312 362 G C 0.338 175.209 174.900 -0.049 0.000 1.654 362 G CA 0.164 45.220 45.100 -0.074 0.000 0.912 362 G HN 1.683 nan 8.290 nan 0.000 0.667 363 A N 0.941 123.745 122.820 -0.027 0.000 1.978 363 A HA 0.173 4.494 4.320 0.000 0.000 0.220 363 A C 2.558 180.140 177.584 -0.004 0.000 1.170 363 A CA 2.766 54.797 52.037 -0.011 0.000 0.636 363 A CB -0.515 18.488 19.000 0.004 0.000 0.810 363 A HN 1.885 nan 8.150 nan 0.000 0.448 364 G N -0.074 108.724 108.800 -0.004 0.000 2.708 364 G HA2 -0.021 3.940 3.960 0.000 0.000 0.210 364 G HA3 -0.021 3.940 3.960 0.000 0.000 0.210 364 G C 1.349 176.249 174.900 -0.001 0.000 1.141 364 G CA 0.981 46.085 45.100 0.006 0.000 0.788 364 G HN 0.776 nan 8.290 nan 0.000 0.531 365 M N -0.768 118.820 119.600 -0.019 0.000 2.501 365 M HA 0.386 4.866 4.480 0.000 0.000 0.261 365 M C 0.671 176.963 176.300 -0.014 0.000 1.129 365 M CA 0.172 55.456 55.300 -0.027 0.000 1.126 365 M CB 0.038 32.601 32.600 -0.062 0.000 1.359 365 M HN -0.147 nan 8.290 nan 0.000 0.471 366 I N 3.395 123.961 120.570 -0.008 0.000 2.845 366 I HA -0.020 4.150 4.170 0.000 0.000 0.290 366 I C 1.338 177.462 176.117 0.011 0.000 1.202 366 I CA 1.397 62.697 61.300 0.000 0.000 1.406 366 I CB -0.488 37.512 38.000 0.000 0.000 1.383 366 I HN 0.816 nan 8.210 nan 0.000 0.549 367 G N 5.139 113.948 108.800 0.015 0.000 2.189 367 G HA2 -0.331 3.629 3.960 0.000 0.000 0.267 367 G HA3 -0.331 3.629 3.960 0.000 0.000 0.267 367 G C 0.479 175.394 174.900 0.025 0.000 0.975 367 G CA 0.270 45.385 45.100 0.023 0.000 0.644 367 G HN 0.684 nan 8.290 nan 0.000 0.537 368 R N 1.084 121.596 120.500 0.019 0.000 2.346 368 R HA 0.591 4.931 4.340 0.000 0.000 0.311 368 R C -2.461 173.849 176.300 0.016 0.000 0.983 368 R CA -1.796 54.316 56.100 0.019 0.000 0.880 368 R CB 1.388 31.699 30.300 0.018 0.000 1.100 368 R HN 0.109 nan 8.270 nan 0.000 0.453 369 P HA 0.238 nan 4.420 nan 0.000 0.278 369 P C -0.013 177.295 177.300 0.014 0.000 1.258 369 P CA 0.104 63.218 63.100 0.022 0.000 0.811 369 P CB 1.171 32.889 31.700 0.030 0.000 1.063 370 G N 0.297 109.103 108.800 0.009 0.000 2.205 370 G HA2 -0.273 3.687 3.960 0.000 0.000 0.261 370 G HA3 -0.273 3.687 3.960 0.000 0.000 0.261 370 G C 0.856 175.748 174.900 -0.012 0.000 0.980 370 G CA 0.238 45.341 45.100 0.004 0.000 0.632 370 G HN 0.398 nan 8.290 nan 0.000 0.533 371 I N 1.297 121.852 120.570 -0.025 0.000 2.162 371 I HA 0.055 4.225 4.170 0.000 0.000 0.238 371 I C 3.239 179.279 176.117 -0.129 0.000 1.076 371 I CA 1.979 63.273 61.300 -0.010 0.000 1.353 371 I CB -1.858 36.121 38.000 -0.035 0.000 1.063 371 I HN 0.357 nan 8.210 nan 0.000 0.408 372 A N 1.096 123.740 122.820 -0.293 0.000 1.908 372 A HA -0.142 4.178 4.320 0.000 0.000 0.218 372 A C 2.548 179.547 177.584 -0.974 0.000 1.181 372 A CA 2.248 53.876 52.037 -0.681 0.000 0.627 372 A CB -0.900 17.695 19.000 -0.675 0.000 0.818 372 A HN 0.432 nan 8.150 nan 0.000 0.445 373 A N -0.367 122.185 122.820 -0.447 0.000 1.933 373 A HA -0.172 4.148 4.320 0.000 0.000 0.218 373 A C 2.134 179.655 177.584 -0.105 0.000 1.175 373 A CA 1.991 53.922 52.037 -0.177 0.000 0.628 373 A CB -0.401 18.620 19.000 0.036 0.000 0.814 373 A HN 0.578 nan 8.150 nan 0.000 0.444 374 K N -0.907 119.445 120.400 -0.081 0.000 2.167 374 K HA -0.012 4.308 4.320 0.000 0.000 0.203 374 K C 2.053 178.678 176.600 0.042 0.000 1.052 374 K CA 1.142 57.416 56.287 -0.021 0.000 0.956 374 K CB -0.215 32.264 32.500 -0.035 0.000 0.735 374 K HN 0.535 nan 8.250 nan 0.000 0.451 375 M N 0.249 119.883 119.600 0.056 0.000 2.067 375 M HA -0.159 4.322 4.480 0.000 0.000 0.260 375 M C 1.280 177.684 176.300 0.173 0.000 1.069 375 M CA 1.667 57.047 55.300 0.133 0.000 1.117 375 M CB -0.096 32.460 32.600 -0.073 0.000 1.334 375 M HN 0.061 nan 8.290 nan 0.000 0.407 376 F N 0.848 120.847 119.950 0.082 0.000 2.134 376 F HA -0.145 4.382 4.527 0.000 0.000 0.299 376 F C 2.517 178.354 175.800 0.062 0.000 1.097 376 F CA 1.415 59.455 58.000 0.066 0.000 1.264 376 F CB -1.551 37.496 39.000 0.078 0.000 1.001 376 F HN 0.247 nan 8.300 nan 0.000 0.479 377 K N 0.263 120.793 120.400 0.217 0.000 2.026 377 K HA -0.159 4.161 4.320 0.000 0.000 0.208 377 K C 1.946 178.594 176.600 0.080 0.000 1.048 377 K CA 1.979 58.340 56.287 0.123 0.000 0.929 377 K CB -0.361 32.178 32.500 0.066 0.000 0.713 377 K HN 0.201 nan 8.250 nan 0.000 0.439 378 T N 2.396 116.987 114.554 0.060 0.000 2.665 378 T HA -0.177 4.173 4.350 0.000 0.000 0.268 378 T C 1.888 176.624 174.700 0.060 0.000 1.035 378 T CA 1.729 63.849 62.100 0.034 0.000 1.151 378 T CB -0.236 68.650 68.868 0.030 0.000 0.862 378 T HN 0.180 nan 8.240 nan 0.000 0.438 379 L N 0.693 121.978 121.223 0.102 0.000 2.017 379 L HA -0.074 4.267 4.340 0.000 0.000 0.208 379 L C 3.131 180.039 176.870 0.063 0.000 1.073 379 L CA 1.247 56.139 54.840 0.085 0.000 0.745 379 L CB -0.804 41.324 42.059 0.115 0.000 0.894 379 L HN 0.252 nan 8.230 nan 0.000 0.432 380 A N 0.012 122.880 122.820 0.080 0.000 1.883 380 A HA -0.250 4.070 4.320 0.000 0.000 0.217 380 A C 1.911 179.518 177.584 0.039 0.000 1.186 380 A CA 2.110 54.182 52.037 0.058 0.000 0.624 380 A CB -0.598 18.447 19.000 0.076 0.000 0.822 380 A HN 0.377 nan 8.150 nan 0.000 0.444 381 D N -0.984 119.438 120.400 0.037 0.000 2.263 381 D HA -0.052 4.588 4.640 0.000 0.000 0.208 381 D C 1.361 177.669 176.300 0.012 0.000 0.971 381 D CA 0.992 55.004 54.000 0.020 0.000 0.867 381 D CB -0.005 40.802 40.800 0.011 0.000 0.929 381 D HN 0.215 nan 8.370 nan 0.000 0.492 382 V N -0.591 119.331 119.914 0.015 0.000 3.376 382 V HA 0.286 4.406 4.120 0.000 0.000 0.313 382 V C 1.218 177.316 176.094 0.005 0.000 1.393 382 V CA 0.807 63.111 62.300 0.006 0.000 1.125 382 V CB 0.031 31.856 31.823 0.003 0.000 1.037 382 V HN 0.348 nan 8.190 nan 0.000 0.440 383 G N 0.709 109.515 108.800 0.010 0.000 2.148 383 G HA2 -0.213 3.747 3.960 0.000 0.000 0.254 383 G HA3 -0.213 3.747 3.960 0.000 0.000 0.254 383 G C 0.324 175.226 174.900 0.003 0.000 0.981 383 G CA 0.446 45.549 45.100 0.005 0.000 0.670 383 G HN 1.437 nan 8.290 nan 0.000 0.528 384 V N -0.528 119.391 119.914 0.009 0.000 2.407 384 V HA 0.767 4.887 4.120 0.000 0.000 0.278 384 V C 0.207 176.303 176.094 0.004 0.000 1.037 384 V CA -0.719 61.584 62.300 0.006 0.000 0.900 384 V CB 1.372 33.199 31.823 0.006 0.000 0.983 384 V HN 0.442 nan 8.190 nan 0.000 0.459 385 N N 5.009 123.705 118.700 -0.008 0.000 2.520 385 N HA 0.391 5.131 4.740 0.000 0.000 0.273 385 N C -0.472 175.023 175.510 -0.024 0.000 1.155 385 N CA -0.369 52.668 53.050 -0.021 0.000 0.967 385 N CB 0.762 39.231 38.487 -0.030 0.000 1.092 385 N HN 0.796 nan 8.380 nan 0.000 0.457 386 I N 2.818 123.360 120.570 -0.047 0.000 2.312 386 I HA 0.119 4.290 4.170 0.000 0.000 0.291 386 I C 1.057 177.136 176.117 -0.063 0.000 1.031 386 I CA -0.196 61.067 61.300 -0.062 0.000 1.293 386 I CB 1.184 39.103 38.000 -0.136 0.000 1.403 386 I HN 0.693 nan 8.210 nan 0.000 0.484 387 E N 5.317 125.494 120.200 -0.038 0.000 2.057 387 E HA 0.168 4.519 4.350 0.000 0.000 0.190 387 E C 0.136 176.719 176.600 -0.028 0.000 0.969 387 E CA 0.882 57.263 56.400 -0.031 0.000 0.812 387 E CB 0.389 30.078 29.700 -0.018 0.000 0.777 387 E HN 0.558 nan 8.360 nan 0.000 0.455 388 M N 0.629 120.219 119.600 -0.017 0.000 2.619 388 M HA 0.503 4.983 4.480 0.000 0.000 0.297 388 M C -1.145 175.152 176.300 -0.004 0.000 1.229 388 M CA -0.583 54.714 55.300 -0.005 0.000 0.860 388 M CB 2.846 35.453 32.600 0.013 0.000 1.741 388 M HN -0.095 nan 8.290 nan 0.000 0.462 389 I N 0.402 120.977 120.570 0.008 0.000 2.656 389 I HA 0.441 4.611 4.170 0.000 0.000 0.292 389 I C -0.868 175.280 176.117 0.052 0.000 1.144 389 I CA -0.500 60.814 61.300 0.023 0.000 1.038 389 I CB 2.362 40.353 38.000 -0.015 0.000 1.244 389 I HN 0.597 nan 8.210 nan 0.000 0.420 390 S N 3.444 119.181 115.700 0.062 0.000 2.668 390 S HA 0.606 5.076 4.470 0.000 0.000 0.277 390 S C -0.615 174.018 174.600 0.056 0.000 1.170 390 S CA -0.460 57.778 58.200 0.064 0.000 0.994 390 S CB 1.307 64.546 63.200 0.065 0.000 1.051 390 S HN 0.716 nan 8.310 nan 0.000 0.484 391 T N 1.756 116.343 114.554 0.055 0.000 2.902 391 T HA 0.770 5.121 4.350 0.000 0.000 0.283 391 T C 0.543 175.263 174.700 0.034 0.000 1.009 391 T CA -0.452 61.670 62.100 0.036 0.000 1.051 391 T CB 1.414 70.301 68.868 0.031 0.000 0.999 391 T HN 0.706 nan 8.240 nan 0.000 0.474 392 S N 1.380 117.090 115.700 0.016 0.000 2.694 392 S HA 0.455 4.925 4.470 0.000 0.000 0.286 392 S C 1.111 175.712 174.600 0.002 0.000 1.080 392 S CA -0.498 57.709 58.200 0.012 0.000 0.953 392 S CB 0.703 63.903 63.200 0.001 0.000 1.313 392 S HN 0.731 nan 8.310 nan 0.000 0.555 393 E N -0.180 120.016 120.200 -0.006 0.000 2.112 393 E HA -0.018 4.332 4.350 0.000 0.000 0.190 393 E C 1.277 177.865 176.600 -0.020 0.000 0.979 393 E CA 1.459 57.853 56.400 -0.009 0.000 0.814 393 E CB -0.127 29.565 29.700 -0.014 0.000 0.762 393 E HN 0.622 nan 8.360 nan 0.000 0.460 394 V N -2.912 116.985 119.914 -0.028 0.000 3.252 394 V HA 0.467 4.587 4.120 0.000 0.000 0.320 394 V C 0.029 176.091 176.094 -0.054 0.000 1.459 394 V CA -0.560 61.716 62.300 -0.040 0.000 1.095 394 V CB 0.056 31.857 31.823 -0.036 0.000 0.997 394 V HN -0.102 nan 8.190 nan 0.000 0.469 395 K N 0.731 121.104 120.400 -0.045 0.000 2.468 395 K HA 0.690 5.010 4.320 0.000 0.000 0.252 395 K C -1.546 175.029 176.600 -0.042 0.000 0.932 395 K CA -0.640 55.617 56.287 -0.051 0.000 0.794 395 K CB 3.352 35.833 32.500 -0.032 0.000 1.241 395 K HN 0.097 nan 8.250 nan 0.000 0.428 396 V N 2.076 121.955 119.914 -0.058 0.000 2.357 396 V HA 0.436 4.556 4.120 0.000 0.000 0.284 396 V C -0.943 175.159 176.094 0.013 0.000 1.018 396 V CA -0.046 62.241 62.300 -0.022 0.000 0.841 396 V CB 1.343 33.133 31.823 -0.055 0.000 0.991 396 V HN 0.722 nan 8.190 nan 0.000 0.437 397 S N 5.566 121.290 115.700 0.040 0.000 2.525 397 S HA 0.699 5.169 4.470 0.000 0.000 0.290 397 S C -0.551 174.094 174.600 0.076 0.000 1.152 397 S CA -0.474 57.757 58.200 0.052 0.000 1.072 397 S CB 1.322 64.548 63.200 0.044 0.000 1.027 397 S HN 0.952 nan 8.310 nan 0.000 0.500 398 C N 2.417 121.764 119.300 0.078 0.000 2.626 398 C HA 0.669 5.129 4.460 0.000 0.000 0.310 398 C C -0.124 174.901 174.990 0.059 0.000 1.191 398 C CA -0.707 58.353 59.018 0.071 0.000 1.517 398 C CB 1.218 29.015 27.740 0.094 0.000 2.102 398 C HN 0.659 nan 8.230 nan 0.000 0.479 399 V N 4.509 124.447 119.914 0.040 0.000 2.427 399 V HA 0.638 4.758 4.120 0.000 0.000 0.286 399 V C 0.016 176.128 176.094 0.030 0.000 1.034 399 V CA -0.104 62.219 62.300 0.039 0.000 0.893 399 V CB 1.161 33.001 31.823 0.028 0.000 0.982 399 V HN 0.791 nan 8.190 nan 0.000 0.452 400 I N -0.103 120.491 120.570 0.041 0.000 3.145 400 I HA 0.629 4.799 4.170 0.000 0.000 0.313 400 I C -0.332 175.803 176.117 0.030 0.000 1.122 400 I CA -0.982 60.336 61.300 0.029 0.000 0.987 400 I CB 1.861 39.881 38.000 0.033 0.000 1.236 400 I HN 0.392 nan 8.210 nan 0.000 0.453 401 D N 2.928 123.339 120.400 0.017 0.000 2.487 401 D HA -0.074 4.566 4.640 0.000 0.000 0.243 401 D C 1.103 177.422 176.300 0.031 0.000 1.154 401 D CA 0.489 54.500 54.000 0.017 0.000 0.876 401 D CB 1.336 42.140 40.800 0.006 0.000 1.161 401 D HN 0.845 nan 8.370 nan 0.000 0.478 402 Q N 4.366 124.192 119.800 0.043 0.000 2.248 402 Q HA -0.237 4.104 4.340 0.000 0.000 0.208 402 Q C 1.181 177.211 176.000 0.050 0.000 0.984 402 Q CA 1.255 57.100 55.803 0.069 0.000 0.875 402 Q CB 0.010 28.789 28.738 0.069 0.000 0.910 402 Q HN 0.461 nan 8.270 nan 0.000 0.433 403 R N 0.088 120.604 120.500 0.026 0.000 2.235 403 R HA -0.048 4.293 4.340 0.000 0.000 0.213 403 R C 0.847 177.145 176.300 -0.002 0.000 1.059 403 R CA 1.043 57.151 56.100 0.013 0.000 0.997 403 R CB 0.224 30.529 30.300 0.008 0.000 0.884 403 R HN 0.387 nan 8.270 nan 0.000 0.462 404 D N -0.062 120.336 120.400 -0.005 0.000 2.350 404 D HA 0.075 4.715 4.640 0.000 0.000 0.213 404 D C 1.520 177.788 176.300 -0.054 0.000 1.031 404 D CA 0.376 54.364 54.000 -0.020 0.000 0.861 404 D CB 0.287 41.082 40.800 -0.009 0.000 0.926 404 D HN 0.149 nan 8.370 nan 0.000 0.520 405 A N 1.964 124.741 122.820 -0.071 0.000 1.908 405 A HA -0.233 4.087 4.320 0.000 0.000 0.218 405 A C 1.850 179.237 177.584 -0.328 0.000 1.181 405 A CA 2.096 54.006 52.037 -0.211 0.000 0.627 405 A CB -0.441 18.445 19.000 -0.190 0.000 0.818 405 A HN 0.261 nan 8.150 nan 0.000 0.445 406 D N 0.349 120.619 120.400 -0.217 0.000 2.097 406 D HA -0.261 4.379 4.640 0.000 0.000 0.195 406 D C 1.954 178.176 176.300 -0.130 0.000 0.989 406 D CA 1.734 55.623 54.000 -0.184 0.000 0.827 406 D CB -0.772 39.972 40.800 -0.093 0.000 0.966 406 D HN 0.686 nan 8.370 nan 0.000 0.456 407 R N 0.817 121.264 120.500 -0.088 0.000 2.153 407 R HA 0.205 4.545 4.340 0.000 0.000 0.218 407 R C 2.075 178.344 176.300 -0.052 0.000 1.072 407 R CA 1.000 57.067 56.100 -0.055 0.000 0.990 407 R CB -0.276 30.003 30.300 -0.035 0.000 0.889 407 R HN 0.173 nan 8.270 nan 0.000 0.452 408 A N 1.452 124.229 122.820 -0.071 0.000 1.872 408 A HA -0.069 4.251 4.320 0.000 0.000 0.214 408 A C 2.042 179.600 177.584 -0.044 0.000 1.187 408 A CA 1.046 53.057 52.037 -0.044 0.000 0.614 408 A CB -0.375 18.600 19.000 -0.043 0.000 0.826 408 A HN 0.356 nan 8.150 nan 0.000 0.442 409 I N -0.265 120.237 120.570 -0.114 0.000 2.439 409 I HA -0.053 4.117 4.170 0.000 0.000 0.251 409 I C 2.519 178.613 176.117 -0.038 0.000 1.139 409 I CA 1.075 62.322 61.300 -0.089 0.000 1.438 409 I CB -0.331 37.544 38.000 -0.209 0.000 1.085 409 I HN 0.274 nan 8.210 nan 0.000 0.427 410 A N 0.458 123.247 122.820 -0.051 0.000 1.902 410 A HA -0.111 4.209 4.320 0.000 0.000 0.217 410 A C 2.507 180.090 177.584 -0.001 0.000 1.181 410 A CA 1.799 53.822 52.037 -0.023 0.000 0.623 410 A CB -1.282 17.700 19.000 -0.029 0.000 0.818 410 A HN 0.489 nan 8.150 nan 0.000 0.443 411 A N -0.411 122.408 122.820 -0.001 0.000 1.902 411 A HA -0.021 4.299 4.320 0.000 0.000 0.217 411 A C 2.182 179.790 177.584 0.039 0.000 1.181 411 A CA 1.520 53.563 52.037 0.009 0.000 0.623 411 A CB -0.552 18.454 19.000 0.009 0.000 0.818 411 A HN 0.471 nan 8.150 nan 0.000 0.443 412 L N -1.058 120.215 121.223 0.084 0.000 2.072 412 L HA -0.112 4.228 4.340 0.000 0.000 0.205 412 L C 2.894 179.895 176.870 0.218 0.000 1.079 412 L CA 1.280 56.241 54.840 0.203 0.000 0.752 412 L CB -0.483 41.690 42.059 0.190 0.000 0.906 412 L HN 0.489 nan 8.230 nan 0.000 0.436 413 S N 0.358 116.126 115.700 0.113 0.000 2.365 413 S HA -0.231 4.239 4.470 0.000 0.000 0.225 413 S C 1.872 176.519 174.600 0.078 0.000 1.039 413 S CA 2.032 60.286 58.200 0.090 0.000 1.033 413 S CB -0.205 63.023 63.200 0.046 0.000 0.887 413 S HN 0.410 nan 8.310 nan 0.000 0.447 414 N N 1.429 120.153 118.700 0.039 0.000 2.058 414 N HA 0.060 4.800 4.740 0.000 0.000 0.191 414 N C 1.895 177.387 175.510 -0.029 0.000 1.037 414 N CA 1.545 54.598 53.050 0.005 0.000 0.848 414 N CB -0.911 37.569 38.487 -0.012 0.000 1.021 414 N HN 0.491 nan 8.380 nan 0.000 0.422 415 A N -0.682 122.092 122.820 -0.076 0.000 1.972 415 A HA -0.036 4.285 4.320 0.000 0.000 0.219 415 A C 1.524 178.883 177.584 -0.374 0.000 1.169 415 A CA 1.045 52.927 52.037 -0.258 0.000 0.635 415 A CB -0.625 18.145 19.000 -0.384 0.000 0.810 415 A HN 0.314 nan 8.150 nan 0.000 0.446 416 F N -1.056 118.885 119.950 -0.015 0.000 2.695 416 F HA 0.355 4.883 4.527 0.000 0.000 0.303 416 F C 1.708 177.501 175.800 -0.012 0.000 1.091 416 F CA 0.493 58.483 58.000 -0.016 0.000 1.300 416 F CB 0.333 39.321 39.000 -0.020 0.000 1.071 416 F HN 0.324 nan 8.300 nan 0.000 0.578 417 G N 1.758 110.626 108.800 0.113 0.000 2.249 417 G HA2 -0.212 3.748 3.960 0.000 0.000 0.273 417 G HA3 -0.212 3.748 3.960 0.000 0.000 0.273 417 G C -0.057 174.888 174.900 0.075 0.000 1.036 417 G CA 0.406 45.548 45.100 0.071 0.000 0.824 417 G HN 0.515 nan 8.290 nan 0.000 0.504 418 V N -2.815 117.154 119.914 0.091 0.000 2.960 418 V HA 0.966 5.086 4.120 0.000 0.000 0.315 418 V C 0.641 176.760 176.094 0.042 0.000 1.087 418 V CA 0.054 62.389 62.300 0.058 0.000 0.982 418 V CB 1.681 33.534 31.823 0.050 0.000 1.039 418 V HN 1.060 nan 8.190 nan 0.000 0.437 419 T N 1.126 115.694 114.554 0.023 0.000 2.770 419 T HA 0.604 4.955 4.350 0.000 0.000 0.281 419 T C 0.059 174.770 174.700 0.017 0.000 0.981 419 T CA -0.672 61.438 62.100 0.017 0.000 0.955 419 T CB 0.660 69.531 68.868 0.005 0.000 1.060 419 T HN 0.721 nan 8.240 nan 0.000 0.531 420 L N 1.745 122.981 121.223 0.021 0.000 2.312 420 L HA 0.378 4.718 4.340 0.000 0.000 0.281 420 L C 0.642 177.518 176.870 0.012 0.000 1.070 420 L CA -0.876 53.981 54.840 0.027 0.000 0.805 420 L CB 1.429 43.518 42.059 0.051 0.000 1.174 420 L HN 0.797 nan 8.230 nan 0.000 0.434 421 S N 2.664 118.367 115.700 0.005 0.000 2.624 421 S HA 0.354 4.824 4.470 0.000 0.000 0.263 421 S C -2.250 172.351 174.600 0.001 0.000 1.287 421 S CA -1.143 57.052 58.200 -0.007 0.000 0.990 421 S CB 0.215 63.405 63.200 -0.018 0.000 0.950 421 S HN 0.420 nan 8.310 nan 0.000 0.561 422 P HA 0.117 nan 4.420 nan 0.000 0.267 422 P C -1.844 175.446 177.300 -0.018 0.000 1.201 422 P CA -0.872 62.220 63.100 -0.013 0.000 0.775 422 P CB -0.262 31.427 31.700 -0.019 0.000 0.854 423 P HA -0.112 nan 4.420 nan 0.000 0.216 423 P C -0.285 176.986 177.300 -0.048 0.000 1.153 423 P CA 1.744 64.807 63.100 -0.062 0.000 0.848 423 P CB 0.108 31.743 31.700 -0.108 0.000 0.787 424 K N -3.313 117.064 120.400 -0.040 0.000 2.523 424 K HA 0.635 4.956 4.320 0.000 0.000 0.257 424 K C -0.371 176.214 176.600 -0.025 0.000 0.932 424 K CA -0.813 55.457 56.287 -0.029 0.000 0.812 424 K CB 0.806 33.289 32.500 -0.027 0.000 1.326 424 K HN -0.140 nan 8.250 nan 0.000 0.433 433 P HA 0.762 nan 4.420 nan 0.000 0.276 433 P C 1.182 178.351 177.300 -0.219 0.000 1.244 433 P CA 0.351 63.366 63.100 -0.142 0.000 0.801 433 P CB 1.521 33.158 31.700 -0.105 0.000 1.006 434 A N 1.290 123.938 122.820 -0.287 0.000 1.877 434 A HA 0.034 4.355 4.320 0.000 0.000 0.216 434 A C 0.797 178.166 177.584 -0.358 0.000 1.186 434 A CA 1.334 53.149 52.037 -0.370 0.000 0.620 434 A CB -0.516 18.270 19.000 -0.357 0.000 0.822 434 A HN 0.403 nan 8.150 nan 0.000 0.443 435 V N -1.111 118.583 119.914 -0.367 0.000 2.604 435 V HA 0.448 4.568 4.120 0.000 0.000 0.305 435 V C 0.894 176.833 176.094 -0.259 0.000 1.043 435 V CA -0.436 61.590 62.300 -0.456 0.000 0.888 435 V CB 1.630 32.930 31.823 -0.873 0.000 0.995 435 V HN 0.579 nan 8.190 nan 0.000 0.429 436 R N 2.668 123.036 120.500 -0.221 0.000 2.167 436 R HA 0.493 4.833 4.340 0.000 0.000 0.201 436 R C 0.654 176.881 176.300 -0.123 0.000 1.024 436 R CA 1.029 57.043 56.100 -0.144 0.000 1.053 436 R CB 0.726 30.952 30.300 -0.123 0.000 0.987 436 R HN 0.879 nan 8.270 nan 0.000 0.493 437 G N -0.368 108.344 108.800 -0.147 0.000 2.660 437 G HA2 0.480 4.440 3.960 0.000 0.000 0.290 437 G HA3 0.480 4.440 3.960 0.000 0.000 0.290 437 G C -1.607 173.205 174.900 -0.147 0.000 1.432 437 G CA -0.183 44.847 45.100 -0.117 0.000 0.807 437 G HN 0.198 nan 8.290 nan 0.000 0.485 438 V N -2.959 116.890 119.914 -0.109 0.000 3.078 438 V HA 1.028 5.149 4.120 0.000 0.000 0.311 438 V C -0.075 175.980 176.094 -0.064 0.000 1.138 438 V CA -0.492 61.739 62.300 -0.116 0.000 1.007 438 V CB 1.245 33.004 31.823 -0.107 0.000 1.045 438 V HN 2.244 nan 8.190 nan 0.000 0.432 439 A N 2.474 125.264 122.820 -0.049 0.000 2.594 439 A HA 0.973 5.293 4.320 0.000 0.000 0.291 439 A C -1.738 175.851 177.584 0.009 0.000 1.105 439 A CA -0.686 51.339 52.037 -0.019 0.000 0.694 439 A CB 1.971 20.957 19.000 -0.024 0.000 1.291 439 A HN 1.889 nan 8.150 nan 0.000 0.410 440 L N 0.863 122.095 121.223 0.015 0.000 2.470 440 L HA 0.689 5.029 4.340 0.000 0.000 0.268 440 L C -1.759 175.126 176.870 0.025 0.000 0.964 440 L CA -0.100 54.758 54.840 0.030 0.000 0.839 440 L CB 2.063 44.141 42.059 0.031 0.000 1.276 440 L HN 0.707 nan 8.230 nan 0.000 0.403 441 D N 3.239 123.658 120.400 0.032 0.000 2.481 441 D HA 0.342 4.982 4.640 0.000 0.000 0.246 441 D C -0.448 175.869 176.300 0.029 0.000 1.109 441 D CA -0.121 53.895 54.000 0.028 0.000 0.845 441 D CB 1.633 42.450 40.800 0.029 0.000 1.160 441 D HN 0.724 nan 8.370 nan 0.000 0.534 442 Q N 1.612 121.426 119.800 0.023 0.000 2.135 442 Q HA 0.271 4.611 4.340 0.000 0.000 0.222 442 Q C -0.532 175.479 176.000 0.018 0.000 0.808 442 Q CA -0.304 55.511 55.803 0.021 0.000 1.049 442 Q CB 0.585 29.334 28.738 0.019 0.000 1.168 442 Q HN 0.106 nan 8.270 nan 0.000 0.483 443 D N 0.696 121.108 120.400 0.020 0.000 2.368 443 D HA 0.075 4.716 4.640 0.000 0.000 0.218 443 D C -0.444 175.870 176.300 0.023 0.000 1.112 443 D CA 0.189 54.201 54.000 0.020 0.000 0.834 443 D CB 0.585 41.397 40.800 0.020 0.000 0.953 443 D HN 0.123 nan 8.370 nan 0.000 0.505 444 Q N 0.360 120.174 119.800 0.023 0.000 2.297 444 Q HA 0.756 5.097 4.340 0.000 0.000 0.268 444 Q C -1.168 174.839 176.000 0.012 0.000 1.045 444 Q CA -0.821 54.998 55.803 0.026 0.000 0.861 444 Q CB 1.923 30.681 28.738 0.034 0.000 1.344 444 Q HN 0.086 nan 8.270 nan 0.000 0.452 445 A N 1.923 124.745 122.820 0.003 0.000 2.342 445 A HA 0.500 4.820 4.320 0.000 0.000 0.323 445 A C -1.268 176.273 177.584 -0.072 0.000 1.125 445 A CA -0.628 51.393 52.037 -0.026 0.000 0.785 445 A CB 1.340 20.325 19.000 -0.025 0.000 1.221 445 A HN 0.675 nan 8.150 nan 0.000 0.463 446 Q N 1.774 121.521 119.800 -0.087 0.000 2.267 446 Q HA 0.596 4.936 4.340 0.000 0.000 0.255 446 Q C -1.403 174.450 176.000 -0.245 0.000 0.923 446 Q CA -0.053 55.662 55.803 -0.146 0.000 0.925 446 Q CB 0.543 29.233 28.738 -0.079 0.000 1.195 446 Q HN 0.665 nan 8.270 nan 0.000 0.417 447 I N 2.909 123.184 120.570 -0.491 0.000 2.478 447 I HA 0.527 4.697 4.170 0.000 0.000 0.287 447 I C -0.850 174.960 176.117 -0.511 0.000 1.042 447 I CA -0.839 60.125 61.300 -0.560 0.000 1.067 447 I CB 1.963 39.472 38.000 -0.818 0.000 1.233 447 I HN 0.643 nan 8.210 nan 0.000 0.431 448 A N 7.383 130.085 122.820 -0.197 0.000 2.330 448 A HA 0.856 5.176 4.320 0.000 0.000 0.327 448 A C -0.633 176.965 177.584 0.023 0.000 1.155 448 A CA -0.510 51.495 52.037 -0.054 0.000 0.803 448 A CB 0.896 19.862 19.000 -0.057 0.000 1.208 448 A HN 0.695 nan 8.150 nan 0.000 0.477 449 I N 3.446 124.084 120.570 0.114 0.000 2.337 449 I HA 0.276 4.446 4.170 0.000 0.000 0.285 449 I C 0.166 176.337 176.117 0.089 0.000 1.041 449 I CA -0.653 60.721 61.300 0.125 0.000 1.199 449 I CB 0.753 38.870 38.000 0.196 0.000 1.370 449 I HN 0.528 nan 8.210 nan 0.000 0.470 450 R N 4.898 125.409 120.500 0.019 0.000 2.491 450 R HA 0.149 4.489 4.340 0.000 0.000 0.283 450 R C -0.040 176.283 176.300 0.038 0.000 1.072 450 R CA -0.284 55.759 56.100 -0.095 0.000 1.048 450 R CB 0.087 30.246 30.300 -0.236 0.000 0.983 450 R HN 0.589 nan 8.270 nan 0.000 0.450 451 H N -1.375 117.723 119.070 0.046 0.000 2.889 451 H HA -0.115 4.442 4.556 0.001 0.000 0.324 451 H C -0.732 174.590 175.328 -0.010 0.000 1.274 451 H CA -0.040 56.022 56.048 0.022 0.000 1.176 451 H CB -1.950 27.839 29.762 0.044 0.000 1.479 451 H HN 0.228 nan 8.280 nan 0.000 0.438 452 V N 1.822 121.764 119.914 0.047 0.000 2.488 452 V HA 0.144 4.264 4.120 0.000 0.000 0.277 452 V C -1.547 174.344 176.094 -0.338 0.000 1.046 452 V CA -1.161 61.010 62.300 -0.215 0.000 0.986 452 V CB 1.145 32.903 31.823 -0.108 0.000 0.989 452 V HN 0.122 nan 8.190 nan 0.000 0.475 453 P HA -0.009 nan 4.420 nan 0.000 0.261 453 P C -0.301 176.817 177.300 -0.304 0.000 1.183 453 P CA 0.105 62.936 63.100 -0.448 0.000 0.761 453 P CB 0.275 31.608 31.700 -0.612 0.000 0.785 454 D N 4.160 124.446 120.400 -0.191 0.000 2.688 454 D HA 0.079 4.719 4.640 0.000 0.000 0.228 454 D C -0.026 176.204 176.300 -0.116 0.000 1.116 454 D CA -0.249 53.671 54.000 -0.133 0.000 1.023 454 D CB -0.419 40.327 40.800 -0.091 0.000 1.100 454 D HN 0.264 nan 8.370 nan 0.000 0.487 455 R N -0.077 120.345 120.500 -0.130 0.000 2.740 455 R HA 0.710 5.050 4.340 0.000 0.000 0.273 455 R C -2.956 173.298 176.300 -0.076 0.000 0.998 455 R CA -2.005 54.039 56.100 -0.094 0.000 0.900 455 R CB 0.196 30.437 30.300 -0.097 0.000 1.223 455 R HN -0.151 nan 8.270 nan 0.000 0.466 456 P HA 0.060 nan 4.420 nan 0.000 0.265 456 P C 0.533 177.832 177.300 -0.002 0.000 1.187 456 P CA 1.471 64.559 63.100 -0.019 0.000 0.766 456 P CB 0.706 32.403 31.700 -0.006 0.000 0.820 457 G N 1.719 110.533 108.800 0.024 0.000 2.225 457 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 457 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 457 G C 1.022 175.970 174.900 0.080 0.000 0.988 457 G CA 0.287 45.423 45.100 0.061 0.000 0.625 457 G HN 0.361 nan 8.290 nan 0.000 0.527 458 M N 0.688 120.305 119.600 0.029 0.000 2.064 458 M HA 0.148 4.628 4.480 0.000 0.000 0.260 458 M C 3.032 179.407 176.300 0.126 0.000 1.073 458 M CA 2.312 57.640 55.300 0.047 0.000 1.124 458 M CB -1.660 30.846 32.600 -0.157 0.000 1.326 458 M HN 0.669 nan 8.290 nan 0.000 0.410 459 A N 0.468 123.328 122.820 0.067 0.000 1.940 459 A HA -0.044 4.276 4.320 0.000 0.000 0.219 459 A C 2.467 180.288 177.584 0.396 0.000 1.176 459 A CA 2.335 54.468 52.037 0.160 0.000 0.631 459 A CB -1.001 17.861 19.000 -0.230 0.000 0.814 459 A HN 0.507 nan 8.150 nan 0.000 0.446 460 A N 0.073 123.083 122.820 0.318 0.000 1.883 460 A HA -0.269 4.051 4.320 0.000 0.000 0.217 460 A C 2.258 179.998 177.584 0.260 0.000 1.186 460 A CA 2.030 54.283 52.037 0.361 0.000 0.624 460 A CB -0.697 18.448 19.000 0.243 0.000 0.822 460 A HN 0.798 nan 8.150 nan 0.000 0.444 461 Q N -0.431 119.485 119.800 0.193 0.000 2.172 461 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 461 Q C 1.881 177.929 176.000 0.080 0.000 0.964 461 Q CA 1.416 57.301 55.803 0.136 0.000 0.855 461 Q CB -0.364 28.463 28.738 0.148 0.000 0.918 461 Q HN 0.601 nan 8.270 nan 0.000 0.444 462 L N -0.509 120.751 121.223 0.062 0.000 2.044 462 L HA -0.045 4.295 4.340 0.000 0.000 0.205 462 L C 1.986 178.679 176.870 -0.294 0.000 1.075 462 L CA 0.989 55.733 54.840 -0.160 0.000 0.747 462 L CB -0.279 41.613 42.059 -0.279 0.000 0.903 462 L HN 0.174 nan 8.230 nan 0.000 0.435 463 F N -0.737 119.243 119.950 0.051 0.000 2.512 463 F HA -0.068 4.459 4.527 0.000 0.000 0.296 463 F C 2.548 178.349 175.800 0.002 0.000 1.110 463 F CA 0.826 58.830 58.000 0.006 0.000 1.446 463 F CB -0.827 38.237 39.000 0.107 0.000 1.092 463 F HN -0.066 nan 8.300 nan 0.000 0.554 464 T N -0.092 114.564 114.554 0.169 0.000 2.777 464 T HA -0.165 4.185 4.350 0.000 0.000 0.266 464 T C 2.368 177.093 174.700 0.042 0.000 1.040 464 T CA 1.283 63.439 62.100 0.092 0.000 1.141 464 T CB -0.517 68.400 68.868 0.082 0.000 0.868 464 T HN 0.275 nan 8.240 nan 0.000 0.444 465 A N 1.410 124.236 122.820 0.010 0.000 1.865 465 A HA -0.041 4.279 4.320 0.000 0.000 0.217 465 A C 2.289 179.862 177.584 -0.018 0.000 1.191 465 A CA 1.364 53.390 52.037 -0.018 0.000 0.623 465 A CB -0.944 18.024 19.000 -0.053 0.000 0.826 465 A HN 0.481 nan 8.150 nan 0.000 0.444 466 L N -0.938 120.263 121.223 -0.036 0.000 2.083 466 L HA -0.193 4.147 4.340 0.000 0.000 0.209 466 L C 3.017 179.900 176.870 0.023 0.000 1.083 466 L CA 1.057 55.887 54.840 -0.017 0.000 0.752 466 L CB -0.474 41.553 42.059 -0.054 0.000 0.899 466 L HN 0.456 nan 8.230 nan 0.000 0.433 467 A N -0.465 122.377 122.820 0.038 0.000 2.014 467 A HA -0.151 4.169 4.320 0.000 0.000 0.218 467 A C 2.104 179.704 177.584 0.026 0.000 1.163 467 A CA 1.062 53.122 52.037 0.039 0.000 0.652 467 A CB -0.285 18.741 19.000 0.044 0.000 0.808 467 A HN 0.410 nan 8.150 nan 0.000 0.449 468 E N -0.419 119.793 120.200 0.020 0.000 2.347 468 E HA 0.031 4.381 4.350 0.000 0.000 0.196 468 E C 1.526 178.133 176.600 0.013 0.000 1.008 468 E CA 0.579 56.987 56.400 0.014 0.000 0.852 468 E CB -0.083 29.622 29.700 0.010 0.000 0.783 468 E HN 0.591 nan 8.360 nan 0.000 0.505 469 A N 0.799 123.628 122.820 0.015 0.000 2.379 469 A HA 0.071 4.391 4.320 0.000 0.000 0.236 469 A C 0.649 178.247 177.584 0.023 0.000 1.272 469 A CA -0.189 51.858 52.037 0.016 0.000 0.886 469 A CB 0.113 19.122 19.000 0.015 0.000 0.962 469 A HN 0.173 nan 8.150 nan 0.000 0.504 470 N N -1.037 117.678 118.700 0.025 0.000 2.878 470 N HA -0.144 4.596 4.740 0.000 0.000 0.247 470 N C -0.388 175.145 175.510 0.038 0.000 1.021 470 N CA 0.863 53.930 53.050 0.029 0.000 0.873 470 N CB -1.392 37.109 38.487 0.025 0.000 1.128 470 N HN 0.582 nan 8.380 nan 0.000 0.571 471 I N 1.213 121.810 120.570 0.046 0.000 2.379 471 I HA 0.060 4.230 4.170 0.000 0.000 0.290 471 I C 0.969 177.129 176.117 0.071 0.000 1.063 471 I CA -0.007 61.331 61.300 0.063 0.000 1.351 471 I CB 1.149 39.196 38.000 0.077 0.000 1.410 471 I HN 0.050 nan 8.210 nan 0.000 0.505 472 S N 6.390 122.133 115.700 0.070 0.000 2.545 472 S HA 0.399 4.869 4.470 0.000 0.000 0.275 472 S C -0.462 174.199 174.600 0.101 0.000 1.299 472 S CA -0.663 57.578 58.200 0.068 0.000 1.048 472 S CB 1.260 64.491 63.200 0.052 0.000 0.938 472 S HN 0.451 nan 8.310 nan 0.000 0.496 473 V N 3.561 123.536 119.914 0.101 0.000 2.547 473 V HA 0.523 4.643 4.120 0.000 0.000 0.299 473 V C 0.377 176.539 176.094 0.113 0.000 1.040 473 V CA -0.295 62.100 62.300 0.158 0.000 0.913 473 V CB 1.784 33.745 31.823 0.229 0.000 0.992 473 V HN 1.068 nan 8.190 nan 0.000 0.449 474 D N 4.101 124.588 120.400 0.144 0.000 2.262 474 D HA 0.200 4.841 4.640 0.000 0.000 0.212 474 D C 0.381 176.737 176.300 0.094 0.000 0.964 474 D CA 0.953 55.011 54.000 0.097 0.000 0.875 474 D CB 0.289 41.144 40.800 0.091 0.000 0.996 474 D HN 0.497 nan 8.370 nan 0.000 0.497 475 M N 0.644 120.330 119.600 0.143 0.000 2.433 475 M HA 0.393 4.873 4.480 0.000 0.000 0.290 475 M C -1.368 175.049 176.300 0.196 0.000 1.173 475 M CA -0.550 54.830 55.300 0.133 0.000 0.905 475 M CB 2.444 35.114 32.600 0.117 0.000 1.692 475 M HN -0.143 nan 8.290 nan 0.000 0.462 476 I N 3.796 124.449 120.570 0.139 0.000 2.534 476 I HA 0.559 4.729 4.170 0.000 0.000 0.288 476 I C -0.993 175.204 176.117 0.133 0.000 1.077 476 I CA -0.459 60.942 61.300 0.168 0.000 1.051 476 I CB 2.284 40.293 38.000 0.015 0.000 1.234 476 I HN 0.582 nan 8.210 nan 0.000 0.425 477 I N 5.695 126.359 120.570 0.157 0.000 2.466 477 I HA 0.463 4.633 4.170 0.000 0.000 0.289 477 I C -0.782 175.395 176.117 0.100 0.000 1.026 477 I CA -0.492 60.873 61.300 0.108 0.000 1.078 477 I CB 2.095 40.152 38.000 0.094 0.000 1.249 477 I HN 0.580 nan 8.210 nan 0.000 0.429 478 Q N 4.448 124.287 119.800 0.065 0.000 2.271 478 Q HA 0.507 4.847 4.340 0.000 0.000 0.268 478 Q C -1.389 174.629 176.000 0.030 0.000 1.021 478 Q CA -0.209 55.621 55.803 0.045 0.000 0.802 478 Q CB 2.735 31.484 28.738 0.017 0.000 1.282 478 Q HN 0.769 nan 8.270 nan 0.000 0.431 479 S N 2.261 117.977 115.700 0.026 0.000 3.896 479 S HA 0.365 4.835 4.470 0.000 0.000 0.187 479 S C -0.592 174.014 174.600 0.009 0.000 1.007 479 S CA -0.135 58.078 58.200 0.023 0.000 1.499 479 S CB 0.592 63.811 63.200 0.031 0.000 0.986 479 S HN 0.667 nan 8.310 nan 0.000 0.827 480 Q N 1.711 121.516 119.800 0.008 0.000 2.318 480 Q HA 0.387 4.728 4.340 0.000 0.000 0.222 480 Q C -0.396 175.605 176.000 0.002 0.000 1.003 480 Q CA -0.028 55.776 55.803 0.001 0.000 0.936 480 Q CB 0.181 28.920 28.738 0.000 0.000 1.204 480 Q HN 0.434 nan 8.270 nan 0.000 0.524 481 R N -0.111 120.387 120.500 -0.004 0.000 2.590 481 R HA 0.131 4.471 4.340 0.000 0.000 0.274 481 R C -0.180 176.130 176.300 0.018 0.000 1.061 481 R CA -0.264 55.836 56.100 -0.000 0.000 1.081 481 R CB 0.173 30.465 30.300 -0.013 0.000 0.984 481 R HN 0.541 nan 8.270 nan 0.000 0.448 482 C N 2.433 121.761 119.300 0.046 0.000 2.657 482 C HA 0.038 4.498 4.460 0.000 0.000 0.420 482 C C 1.377 176.401 174.990 0.056 0.000 1.323 482 C CA -0.320 58.750 59.018 0.087 0.000 1.894 482 C CB -0.431 27.448 27.740 0.232 0.000 2.681 482 C HN 0.742 nan 8.230 nan 0.000 0.613 483 R N 2.422 122.956 120.500 0.056 0.000 2.630 483 R HA 0.175 4.515 4.340 0.000 0.000 0.286 483 R C -0.138 176.188 176.300 0.043 0.000 1.391 483 R CA -0.108 56.014 56.100 0.037 0.000 1.027 483 R CB -0.671 29.650 30.300 0.036 0.000 1.099 483 R HN 0.657 nan 8.270 nan 0.000 0.525 484 I N 0.320 120.894 120.570 0.008 0.000 2.428 484 I HA 0.316 4.486 4.170 0.000 0.000 0.296 484 I C 0.844 176.947 176.117 -0.022 0.000 0.985 484 I CA -0.739 60.545 61.300 -0.026 0.000 1.260 484 I CB 1.416 39.352 38.000 -0.106 0.000 1.389 484 I HN 0.220 nan 8.210 nan 0.000 0.484 485 N N 2.270 120.958 118.700 -0.020 0.000 2.062 485 N HA -0.067 4.673 4.740 0.000 0.000 0.191 485 N C 0.271 175.766 175.510 -0.026 0.000 1.042 485 N CA 1.672 54.714 53.050 -0.014 0.000 0.845 485 N CB 0.112 38.597 38.487 -0.004 0.000 1.024 485 N HN 0.728 nan 8.380 nan 0.000 0.424 486 Q N -2.451 117.325 119.800 -0.040 0.000 2.687 486 Q HA 0.610 4.950 4.340 0.000 0.000 0.295 486 Q C -0.652 175.308 176.000 -0.067 0.000 0.920 486 Q CA -0.133 55.642 55.803 -0.047 0.000 0.766 486 Q CB 1.684 30.404 28.738 -0.031 0.000 1.467 486 Q HN 0.460 nan 8.270 nan 0.000 0.415 487 G N -0.262 108.499 108.800 -0.064 0.000 2.347 487 G HA2 0.193 4.153 3.960 0.000 0.000 0.341 487 G HA3 0.193 4.153 3.960 0.000 0.000 0.341 487 G C -0.879 173.973 174.900 -0.080 0.000 1.287 487 G CA -0.204 44.850 45.100 -0.077 0.000 0.984 487 G HN 0.864 nan 8.290 nan 0.000 0.526 488 T N -0.280 114.222 114.554 -0.087 0.000 2.874 488 T HA 0.694 5.044 4.350 0.000 0.000 0.281 488 T C -2.340 172.300 174.700 -0.100 0.000 0.994 488 T CA -1.111 60.939 62.100 -0.083 0.000 1.015 488 T CB 1.297 70.118 68.868 -0.079 0.000 1.028 488 T HN 0.477 nan 8.240 nan 0.000 0.523 489 P HA 0.323 nan 4.420 nan 0.000 0.266 489 P C -0.392 176.850 177.300 -0.098 0.000 1.193 489 P CA -0.442 62.611 63.100 -0.079 0.000 0.770 489 P CB -0.039 31.624 31.700 -0.062 0.000 0.836 490 C N 0.699 119.952 119.300 -0.077 0.000 3.306 490 C HA 0.782 5.242 4.460 0.000 0.000 0.335 490 C C -1.135 173.850 174.990 -0.009 0.000 1.382 490 C CA -1.084 57.890 59.018 -0.074 0.000 1.254 490 C CB 1.933 29.622 27.740 -0.086 0.000 1.555 490 C HN 0.595 nan 8.230 nan 0.000 0.463 491 R N 0.367 120.864 120.500 -0.005 0.000 2.771 491 R HA 0.633 4.974 4.340 0.000 0.000 0.274 491 R C -1.661 174.661 176.300 0.037 0.000 0.987 491 R CA -0.569 55.543 56.100 0.019 0.000 0.908 491 R CB 1.465 31.760 30.300 -0.008 0.000 1.213 491 R HN 0.741 nan 8.270 nan 0.000 0.468 492 D N 1.568 121.987 120.400 0.031 0.000 2.302 492 D HA 0.319 4.959 4.640 0.000 0.000 0.248 492 D C -0.186 176.148 176.300 0.058 0.000 1.094 492 D CA 0.117 54.131 54.000 0.023 0.000 0.897 492 D CB 1.160 41.943 40.800 -0.028 0.000 1.200 492 D HN 0.283 nan 8.370 nan 0.000 0.429 493 I N 1.436 122.069 120.570 0.106 0.000 2.410 493 I HA 0.427 4.597 4.170 0.000 0.000 0.286 493 I C -0.173 176.091 176.117 0.245 0.000 1.009 493 I CA -0.792 60.621 61.300 0.187 0.000 1.111 493 I CB 1.631 39.782 38.000 0.253 0.000 1.262 493 I HN 0.257 nan 8.210 nan 0.000 0.443 494 A N 7.058 130.010 122.820 0.220 0.000 2.312 494 A HA 0.939 5.259 4.320 0.000 0.000 0.328 494 A C -0.857 176.940 177.584 0.356 0.000 1.158 494 A CA -0.297 51.855 52.037 0.191 0.000 0.821 494 A CB 0.897 19.939 19.000 0.070 0.000 1.170 494 A HN 0.662 nan 8.150 nan 0.000 0.490 495 F N -0.909 119.142 119.950 0.169 0.000 2.686 495 F HA 0.837 5.364 4.527 0.000 0.000 0.311 495 F C -1.050 174.834 175.800 0.141 0.000 1.128 495 F CA -1.407 56.713 58.000 0.200 0.000 0.946 495 F CB 1.437 40.665 39.000 0.380 0.000 1.336 495 F HN 0.429 nan 8.300 nan 0.000 0.457 496 M N 2.993 122.743 119.600 0.250 0.000 2.464 496 M HA 0.752 5.233 4.480 0.000 0.000 0.308 496 M C -1.070 175.365 176.300 0.225 0.000 1.127 496 M CA -1.030 54.331 55.300 0.100 0.000 0.913 496 M CB 2.485 35.130 32.600 0.074 0.000 1.689 496 M HN 0.714 nan 8.290 nan 0.000 0.445 497 V N -0.572 119.427 119.914 0.142 0.000 3.130 497 V HA 0.962 5.082 4.120 0.000 0.000 0.310 497 V C -0.258 175.889 176.094 0.088 0.000 1.158 497 V CA -1.310 61.087 62.300 0.163 0.000 1.029 497 V CB 1.480 33.442 31.823 0.231 0.000 1.057 497 V HN 0.961 nan 8.190 nan 0.000 0.436 498 A N 0.509 123.378 122.820 0.082 0.000 2.546 498 A HA 0.246 4.566 4.320 0.000 0.000 0.243 498 A C 1.051 178.662 177.584 0.046 0.000 1.063 498 A CA 0.498 52.568 52.037 0.055 0.000 0.757 498 A CB -0.445 18.585 19.000 0.051 0.000 0.991 498 A HN 1.032 nan 8.150 nan 0.000 0.503 499 E N 2.470 122.689 120.200 0.031 0.000 2.187 499 E HA -0.233 4.117 4.350 0.000 0.000 0.199 499 E C 1.979 178.594 176.600 0.025 0.000 1.004 499 E CA 1.288 57.702 56.400 0.022 0.000 0.813 499 E CB -0.168 29.541 29.700 0.015 0.000 0.736 499 E HN 0.915 nan 8.360 nan 0.000 0.468 500 G N 1.365 110.182 108.800 0.029 0.000 2.450 500 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 500 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 500 G C 1.134 176.056 174.900 0.036 0.000 1.130 500 G CA 0.869 45.986 45.100 0.029 0.000 0.760 500 G HN 0.155 nan 8.290 nan 0.000 0.557 501 D N -0.222 120.206 120.400 0.048 0.000 2.339 501 D HA 0.129 4.769 4.640 0.000 0.000 0.217 501 D C 2.363 178.702 176.300 0.066 0.000 1.050 501 D CA 0.155 54.192 54.000 0.061 0.000 0.856 501 D CB 0.389 41.238 40.800 0.083 0.000 0.922 501 D HN 0.150 nan 8.370 nan 0.000 0.518 502 S N 0.374 116.103 115.700 0.049 0.000 2.389 502 S HA -0.203 4.267 4.470 0.000 0.000 0.229 502 S C 2.137 176.759 174.600 0.036 0.000 1.048 502 S CA 1.701 59.922 58.200 0.035 0.000 1.117 502 S CB -0.041 63.166 63.200 0.013 0.000 1.020 502 S HN 0.183 nan 8.310 nan 0.000 0.430 503 S N 0.702 116.418 115.700 0.027 0.000 2.353 503 S HA -0.177 4.293 4.470 0.000 0.000 0.222 503 S C 2.032 176.649 174.600 0.027 0.000 1.035 503 S CA 1.451 59.664 58.200 0.021 0.000 1.025 503 S CB -0.576 62.633 63.200 0.015 0.000 0.902 503 S HN 0.574 nan 8.310 nan 0.000 0.440 504 Q N 0.728 120.547 119.800 0.032 0.000 2.112 504 Q HA -0.191 4.150 4.340 0.000 0.000 0.206 504 Q C 2.271 178.297 176.000 0.042 0.000 0.987 504 Q CA 1.534 57.355 55.803 0.031 0.000 0.858 504 Q CB -0.354 28.403 28.738 0.032 0.000 0.905 504 Q HN 0.560 nan 8.270 nan 0.000 0.420 505 A N 0.976 123.839 122.820 0.071 0.000 1.865 505 A HA -0.286 4.034 4.320 0.000 0.000 0.217 505 A C 1.902 179.542 177.584 0.093 0.000 1.191 505 A CA 1.835 53.939 52.037 0.111 0.000 0.623 505 A CB -0.869 18.260 19.000 0.216 0.000 0.826 505 A HN 0.644 nan 8.150 nan 0.000 0.444 506 E N -0.185 120.058 120.200 0.072 0.000 2.058 506 E HA -0.183 4.168 4.350 0.000 0.000 0.194 506 E C 2.118 178.727 176.600 0.016 0.000 0.997 506 E CA 1.314 57.739 56.400 0.042 0.000 0.801 506 E CB -0.312 29.400 29.700 0.020 0.000 0.746 506 E HN 0.529 nan 8.360 nan 0.000 0.450 507 A N 0.751 123.578 122.820 0.012 0.000 1.972 507 A HA -0.159 4.162 4.320 0.000 0.000 0.219 507 A C 2.137 179.713 177.584 -0.014 0.000 1.169 507 A CA 1.396 53.432 52.037 -0.003 0.000 0.635 507 A CB -0.565 18.436 19.000 0.001 0.000 0.810 507 A HN 0.364 nan 8.150 nan 0.000 0.446 508 I N -0.675 119.890 120.570 -0.008 0.000 2.286 508 I HA -0.201 3.969 4.170 0.000 0.000 0.245 508 I C 2.187 178.272 176.117 -0.054 0.000 1.104 508 I CA 1.006 62.290 61.300 -0.026 0.000 1.397 508 I CB -0.243 37.746 38.000 -0.018 0.000 1.072 508 I HN 0.254 nan 8.210 nan 0.000 0.417 509 L N -0.264 120.930 121.223 -0.049 0.000 2.270 509 L HA -0.112 4.229 4.340 0.000 0.000 0.210 509 L C 2.547 179.347 176.870 -0.117 0.000 1.104 509 L CA 0.551 55.338 54.840 -0.088 0.000 0.804 509 L CB -0.455 41.575 42.059 -0.048 0.000 0.937 509 L HN 0.209 nan 8.230 nan 0.000 0.450 510 Q N 0.838 120.591 119.800 -0.079 0.000 2.077 510 Q HA -0.185 4.155 4.340 0.000 0.000 0.206 510 Q C -0.527 175.396 176.000 -0.128 0.000 0.989 510 Q CA 2.204 57.955 55.803 -0.087 0.000 0.853 510 Q CB -1.119 27.587 28.738 -0.052 0.000 0.907 510 Q HN 0.234 nan 8.270 nan 0.000 0.418 511 P HA -0.162 nan 4.420 nan 0.000 0.216 511 P C 0.705 177.876 177.300 -0.215 0.000 1.153 511 P CA 1.123 64.142 63.100 -0.134 0.000 0.858 511 P CB -0.024 31.615 31.700 -0.101 0.000 0.789 512 L N -1.176 119.883 121.223 -0.273 0.000 2.376 512 L HA -0.031 4.309 4.340 0.000 0.000 0.219 512 L C 2.086 178.469 176.870 -0.812 0.000 1.133 512 L CA 1.258 55.850 54.840 -0.414 0.000 0.816 512 L CB -0.965 40.887 42.059 -0.345 0.000 0.933 512 L HN 0.067 nan 8.230 nan 0.000 0.449 513 I N -3.601 116.540 120.570 -0.715 0.000 3.956 513 I HA 0.048 4.218 4.170 0.000 0.000 0.333 513 I C 2.035 177.871 176.117 -0.468 0.000 1.302 513 I CA -0.004 60.751 61.300 -0.908 0.000 1.122 513 I CB -0.343 37.399 38.000 -0.430 0.000 1.013 513 I HN 0.165 nan 8.210 nan 0.000 0.405 514 K N 2.720 122.924 120.400 -0.327 0.000 2.097 514 K HA -0.232 4.088 4.320 0.000 0.000 0.214 514 K C -0.002 176.541 176.600 -0.095 0.000 1.052 514 K CA 2.570 58.761 56.287 -0.161 0.000 0.932 514 K CB -0.958 31.465 32.500 -0.127 0.000 0.716 514 K HN 0.572 nan 8.250 nan 0.000 0.455 515 D N -1.029 119.304 120.400 -0.112 0.000 2.894 515 D HA 0.112 4.752 4.640 0.000 0.000 0.273 515 D C -1.088 175.343 176.300 0.217 0.000 1.328 515 D CA -0.486 53.532 54.000 0.031 0.000 0.845 515 D CB 0.004 40.826 40.800 0.037 0.000 1.072 515 D HN 0.170 nan 8.370 nan 0.000 0.484 516 W N 1.448 122.753 121.300 0.008 0.000 2.349 516 W HA 0.371 5.031 4.660 -0.001 0.000 0.309 516 W C 0.145 176.672 176.519 0.013 0.000 1.083 516 W CA -1.993 55.358 57.345 0.011 0.000 1.224 516 W CB 0.528 30.001 29.460 0.020 0.000 1.256 516 W HN 0.011 nan 8.180 nan 0.000 0.461 517 L N 6.344 127.686 121.223 0.198 0.000 2.628 517 L HA -0.064 4.276 4.340 0.000 0.000 0.274 517 L C 0.828 177.762 176.870 0.107 0.000 1.209 517 L CA 0.912 55.812 54.840 0.099 0.000 0.930 517 L CB -0.157 41.916 42.059 0.023 0.000 1.183 517 L HN 0.607 nan 8.230 nan 0.000 0.492 518 D N 1.920 122.395 120.400 0.125 0.000 3.077 518 D HA -0.222 4.418 4.640 0.000 0.000 0.217 518 D C 0.464 176.945 176.300 0.302 0.000 1.162 518 D CA 1.223 55.339 54.000 0.193 0.000 0.943 518 D CB -1.309 39.599 40.800 0.181 0.000 1.122 518 D HN 0.915 nan 8.370 nan 0.000 0.413 519 A N -0.092 122.892 122.820 0.273 0.000 2.406 519 A HA 0.663 4.983 4.320 0.000 0.000 0.243 519 A C 0.634 178.312 177.584 0.157 0.000 1.082 519 A CA 0.833 53.044 52.037 0.291 0.000 0.786 519 A CB 0.824 20.075 19.000 0.419 0.000 1.029 519 A HN 0.900 nan 8.150 nan 0.000 0.495 520 A N 0.248 123.134 122.820 0.111 0.000 2.599 520 A HA 0.609 4.930 4.320 0.000 0.000 0.294 520 A C -1.127 176.475 177.584 0.031 0.000 1.055 520 A CA -0.455 51.609 52.037 0.046 0.000 0.683 520 A CB 0.616 19.627 19.000 0.018 0.000 1.278 520 A HN 0.781 nan 8.150 nan 0.000 0.412 521 I N 1.390 121.968 120.570 0.012 0.000 2.406 521 I HA 0.590 4.760 4.170 0.000 0.000 0.290 521 I C -0.740 175.371 176.117 -0.011 0.000 0.999 521 I CA -1.020 60.286 61.300 0.009 0.000 1.124 521 I CB 1.825 39.832 38.000 0.012 0.000 1.289 521 I HN 0.507 nan 8.210 nan 0.000 0.441 522 V N 8.032 127.929 119.914 -0.028 0.000 2.577 522 V HA 0.620 4.741 4.120 0.000 0.000 0.303 522 V C -1.112 174.947 176.094 -0.057 0.000 1.042 522 V CA -0.477 61.801 62.300 -0.036 0.000 0.872 522 V CB 2.187 33.987 31.823 -0.037 0.000 0.998 522 V HN 0.489 nan 8.190 nan 0.000 0.423 523 V N 5.595 125.479 119.914 -0.049 0.000 2.547 523 V HA 0.768 4.888 4.120 0.000 0.000 0.299 523 V C -0.846 175.223 176.094 -0.042 0.000 1.040 523 V CA -0.365 61.896 62.300 -0.066 0.000 0.913 523 V CB 1.965 33.752 31.823 -0.060 0.000 0.992 523 V HN 1.081 nan 8.190 nan 0.000 0.449 524 N N 4.053 122.725 118.700 -0.047 0.000 2.549 524 N HA 0.429 5.169 4.740 0.000 0.000 0.281 524 N C 0.128 175.622 175.510 -0.026 0.000 1.084 524 N CA -0.478 52.558 53.050 -0.024 0.000 0.862 524 N CB 1.883 40.366 38.487 -0.008 0.000 1.333 524 N HN 0.770 nan 8.380 nan 0.000 0.523 525 K N 1.358 121.748 120.400 -0.017 0.000 2.228 525 K HA 0.168 4.488 4.320 0.000 0.000 0.202 525 K C 0.407 177.004 176.600 -0.006 0.000 1.051 525 K CA 0.564 56.844 56.287 -0.012 0.000 0.960 525 K CB 0.297 32.793 32.500 -0.007 0.000 0.743 525 K HN 0.540 nan 8.250 nan 0.000 0.458 526 A N 2.512 125.329 122.820 -0.004 0.000 3.118 526 A HA 0.255 4.575 4.320 0.000 0.000 0.256 526 A C 0.095 177.680 177.584 0.001 0.000 1.667 526 A CA -0.357 51.679 52.037 -0.001 0.000 1.338 526 A CB -1.071 17.928 19.000 -0.002 0.000 1.127 526 A HN 0.354 nan 8.150 nan 0.000 0.634 527 I N -2.989 117.583 120.570 0.003 0.000 2.828 527 I HA 0.936 5.106 4.170 0.000 0.000 0.302 527 I C -0.278 175.849 176.117 0.016 0.000 1.101 527 I CA -1.172 60.133 61.300 0.008 0.000 1.031 527 I CB 2.391 40.395 38.000 0.007 0.000 1.231 527 I HN 0.177 nan 8.210 nan 0.000 0.427 528 A N 3.917 126.750 122.820 0.023 0.000 2.413 528 A HA 0.728 5.048 4.320 0.000 0.000 0.307 528 A C -1.074 176.537 177.584 0.045 0.000 1.087 528 A CA -0.828 51.229 52.037 0.032 0.000 0.750 528 A CB 1.763 20.783 19.000 0.034 0.000 1.296 528 A HN 0.799 nan 8.150 nan 0.000 0.423 529 K N 1.590 122.022 120.400 0.054 0.000 2.307 529 K HA 0.610 4.930 4.320 0.000 0.000 0.263 529 K C -1.479 175.178 176.600 0.095 0.000 0.973 529 K CA -0.384 55.947 56.287 0.074 0.000 0.846 529 K CB 1.305 33.845 32.500 0.066 0.000 1.100 529 K HN 0.488 nan 8.250 nan 0.000 0.438 530 V N 2.345 122.348 119.914 0.147 0.000 2.459 530 V HA 0.443 4.563 4.120 0.000 0.000 0.295 530 V C -0.477 175.767 176.094 0.251 0.000 1.029 530 V CA -0.813 61.606 62.300 0.198 0.000 0.874 530 V CB 1.525 33.521 31.823 0.290 0.000 0.985 530 V HN 0.745 nan 8.190 nan 0.000 0.438 531 S N 4.920 120.684 115.700 0.105 0.000 2.536 531 S HA 0.775 5.245 4.470 0.000 0.000 0.287 531 S C -0.471 174.014 174.600 -0.192 0.000 1.101 531 S CA -0.582 57.629 58.200 0.020 0.000 0.950 531 S CB 1.831 65.037 63.200 0.010 0.000 1.056 531 S HN 0.805 nan 8.310 nan 0.000 0.481 532 I N -0.263 120.090 120.570 -0.361 0.000 2.530 532 I HA 0.916 5.087 4.170 0.000 0.000 0.297 532 I C -1.234 174.687 176.117 -0.327 0.000 1.011 532 I CA -0.967 60.046 61.300 -0.479 0.000 1.107 532 I CB 1.665 39.143 38.000 -0.869 0.000 1.285 532 I HN 0.291 nan 8.210 nan 0.000 0.436 533 V N 3.860 123.597 119.914 -0.295 0.000 2.789 533 V HA 0.950 5.070 4.120 0.000 0.000 0.311 533 V C 0.089 176.040 176.094 -0.238 0.000 1.073 533 V CA -0.283 61.888 62.300 -0.216 0.000 0.921 533 V CB 1.854 33.590 31.823 -0.144 0.000 1.009 533 V HN 1.143 nan 8.190 nan 0.000 0.426 534 G N 1.543 110.220 108.800 -0.205 0.000 2.617 534 G HA2 0.363 4.323 3.960 0.000 0.000 0.305 534 G HA3 0.363 4.323 3.960 0.000 0.000 0.305 534 G C 0.101 174.906 174.900 -0.157 0.000 1.436 534 G CA 0.060 45.039 45.100 -0.201 0.000 1.036 534 G HN 0.506 nan 8.290 nan 0.000 0.589 535 S N 0.968 116.593 115.700 -0.126 0.000 2.447 535 S HA -0.023 4.447 4.470 0.000 0.000 0.233 535 S C 2.406 176.944 174.600 -0.102 0.000 1.006 535 S CA 1.425 59.566 58.200 -0.097 0.000 0.957 535 S CB 0.097 63.250 63.200 -0.078 0.000 0.773 535 S HN 1.060 nan 8.310 nan 0.000 0.507 536 G N 1.974 110.691 108.800 -0.139 0.000 2.679 536 G HA2 -0.084 3.877 3.960 0.000 0.000 0.212 536 G HA3 -0.084 3.877 3.960 0.000 0.000 0.212 536 G C 1.237 176.025 174.900 -0.187 0.000 1.137 536 G CA 0.514 45.516 45.100 -0.163 0.000 0.787 536 G HN 0.656 nan 8.290 nan 0.000 0.534 537 M N -0.489 119.017 119.600 -0.156 0.000 2.558 537 M HA 0.351 4.831 4.480 0.000 0.000 0.255 537 M C 0.476 176.774 176.300 -0.003 0.000 1.113 537 M CA 0.456 55.694 55.300 -0.103 0.000 1.097 537 M CB -0.060 32.463 32.600 -0.130 0.000 1.426 537 M HN -0.130 nan 8.290 nan 0.000 0.488 538 I N 3.018 123.579 120.570 -0.015 0.000 2.587 538 I HA 0.160 4.330 4.170 0.000 0.000 0.284 538 I C 1.127 177.271 176.117 0.044 0.000 1.134 538 I CA 0.803 62.108 61.300 0.009 0.000 1.410 538 I CB 0.113 38.107 38.000 -0.010 0.000 1.392 538 I HN 0.705 nan 8.210 nan 0.000 0.545 539 G N 4.885 113.714 108.800 0.049 0.000 2.221 539 G HA2 -0.285 3.675 3.960 0.000 0.000 0.265 539 G HA3 -0.285 3.675 3.960 0.000 0.000 0.265 539 G C 0.137 175.088 174.900 0.086 0.000 1.041 539 G CA -0.109 45.020 45.100 0.050 0.000 0.807 539 G HN 0.858 nan 8.290 nan 0.000 0.502 540 H N 0.126 119.187 119.070 -0.015 0.000 2.953 540 H HA 0.412 4.968 4.556 0.000 0.000 0.290 540 H C -2.698 172.622 175.328 -0.013 0.000 1.113 540 H CA -1.457 54.581 56.048 -0.017 0.000 1.454 540 H CB 1.918 31.665 29.762 -0.026 0.000 1.525 540 H HN 0.142 nan 8.280 nan 0.000 0.505 541 P HA 0.148 nan 4.420 nan 0.000 0.269 541 P C 0.849 178.110 177.300 -0.065 0.000 1.209 541 P CA 1.284 64.337 63.100 -0.078 0.000 0.776 541 P CB 0.780 32.427 31.700 -0.087 0.000 0.876 542 G N 0.432 109.238 108.800 0.010 0.000 2.176 542 G HA2 -0.276 3.684 3.960 0.000 0.000 0.253 542 G HA3 -0.276 3.684 3.960 0.000 0.000 0.253 542 G C 0.902 175.868 174.900 0.110 0.000 0.979 542 G CA 0.227 45.353 45.100 0.043 0.000 0.641 542 G HN 0.384 nan 8.290 nan 0.000 0.530 543 V N 1.046 121.046 119.914 0.143 0.000 2.244 543 V HA 0.019 4.139 4.120 0.000 0.000 0.244 543 V C 3.261 179.408 176.094 0.088 0.000 1.042 543 V CA 3.046 65.458 62.300 0.186 0.000 1.006 543 V CB -1.164 30.711 31.823 0.087 0.000 0.641 543 V HN 0.963 nan 8.190 nan 0.000 0.446 544 A N 0.011 122.745 122.820 -0.144 0.000 1.948 544 A HA -0.192 4.128 4.320 0.000 0.000 0.220 544 A C 2.398 179.541 177.584 -0.735 0.000 1.177 544 A CA 2.373 54.073 52.037 -0.562 0.000 0.636 544 A CB -0.835 17.758 19.000 -0.679 0.000 0.815 544 A HN 0.607 nan 8.150 nan 0.000 0.449 545 A N -1.286 121.396 122.820 -0.231 0.000 1.902 545 A HA -0.170 4.150 4.320 0.000 0.000 0.217 545 A C 2.052 179.671 177.584 0.057 0.000 1.181 545 A CA 2.086 54.128 52.037 0.009 0.000 0.623 545 A CB -0.865 18.225 19.000 0.150 0.000 0.818 545 A HN 0.682 nan 8.150 nan 0.000 0.443 546 H N -1.445 117.614 119.070 -0.018 0.000 2.352 546 H HA -0.142 4.414 4.556 0.000 0.000 0.299 546 H C 1.685 177.002 175.328 -0.018 0.000 1.097 546 H CA 1.912 57.933 56.048 -0.045 0.000 1.311 546 H CB -0.417 29.289 29.762 -0.094 0.000 1.377 546 H HN 0.429 nan 8.280 nan 0.000 0.504 547 F N 0.491 120.385 119.950 -0.093 0.000 2.046 547 F HA -0.222 4.305 4.527 0.000 0.000 0.297 547 F C 1.822 177.602 175.800 -0.034 0.000 1.123 547 F CA 1.326 59.287 58.000 -0.065 0.000 1.199 547 F CB -1.214 37.762 39.000 -0.040 0.000 0.972 547 F HN 0.117 nan 8.300 nan 0.000 0.474 548 F N 0.899 120.790 119.950 -0.100 0.000 2.161 548 F HA -0.090 4.438 4.527 0.000 0.000 0.300 548 F C 2.715 178.456 175.800 -0.100 0.000 1.089 548 F CA 0.886 58.765 58.000 -0.201 0.000 1.282 548 F CB -2.010 36.933 39.000 -0.094 0.000 1.010 548 F HN 0.089 nan 8.300 nan 0.000 0.485 549 A N 0.132 123.017 122.820 0.109 0.000 1.933 549 A HA 0.005 4.325 4.320 0.000 0.000 0.218 549 A C 2.479 180.041 177.584 -0.037 0.000 1.175 549 A CA 1.689 53.747 52.037 0.035 0.000 0.628 549 A CB -1.201 17.813 19.000 0.024 0.000 0.814 549 A HN 0.301 nan 8.150 nan 0.000 0.444 550 A N -0.291 122.470 122.820 -0.099 0.000 1.933 550 A HA -0.004 4.316 4.320 0.000 0.000 0.218 550 A C 2.122 179.694 177.584 -0.020 0.000 1.175 550 A CA 1.470 53.443 52.037 -0.108 0.000 0.628 550 A CB -0.495 18.422 19.000 -0.138 0.000 0.814 550 A HN 0.481 nan 8.150 nan 0.000 0.444 551 L N -1.176 120.049 121.223 0.004 0.000 2.131 551 L HA -0.051 4.289 4.340 0.000 0.000 0.206 551 L C 3.010 179.876 176.870 -0.007 0.000 1.087 551 L CA 0.809 55.650 54.840 0.001 0.000 0.767 551 L CB -0.492 41.544 42.059 -0.038 0.000 0.917 551 L HN 0.396 nan 8.230 nan 0.000 0.441 552 A N -0.160 122.658 122.820 -0.003 0.000 1.930 552 A HA -0.213 4.107 4.320 0.000 0.000 0.217 552 A C 2.199 179.780 177.584 -0.004 0.000 1.175 552 A CA 1.242 53.278 52.037 -0.003 0.000 0.627 552 A CB -0.405 18.602 19.000 0.011 0.000 0.815 552 A HN 0.454 nan 8.150 nan 0.000 0.443 553 Q N -0.554 119.241 119.800 -0.008 0.000 2.291 553 Q HA -0.109 4.231 4.340 0.000 0.000 0.206 553 Q C 0.947 176.942 176.000 -0.009 0.000 0.976 553 Q CA 1.055 56.852 55.803 -0.010 0.000 0.875 553 Q CB 0.011 28.736 28.738 -0.021 0.000 0.927 553 Q HN 0.536 nan 8.270 nan 0.000 0.450 554 E N 0.469 120.665 120.200 -0.007 0.000 2.444 554 E HA -0.009 4.341 4.350 0.000 0.000 0.191 554 E C -0.203 176.394 176.600 -0.004 0.000 1.041 554 E CA -0.200 56.198 56.400 -0.003 0.000 0.883 554 E CB 0.048 29.749 29.700 0.002 0.000 1.024 554 E HN 0.242 nan 8.360 nan 0.000 0.470 555 N N 1.128 119.824 118.700 -0.006 0.000 2.714 555 N HA -0.218 4.522 4.740 0.000 0.000 0.253 555 N C -0.946 174.557 175.510 -0.012 0.000 1.024 555 N CA 0.477 53.521 53.050 -0.009 0.000 0.726 555 N CB -1.361 37.121 38.487 -0.008 0.000 0.908 555 N HN 0.235 nan 8.380 nan 0.000 0.542 556 I N 1.204 121.766 120.570 -0.014 0.000 2.339 556 I HA 0.160 4.330 4.170 0.000 0.000 0.290 556 I C 0.647 176.745 176.117 -0.032 0.000 0.994 556 I CA -0.865 60.425 61.300 -0.017 0.000 1.191 556 I CB 1.249 39.245 38.000 -0.007 0.000 1.343 556 I HN 0.145 nan 8.210 nan 0.000 0.458 557 N N 6.744 125.423 118.700 -0.036 0.000 2.514 557 N HA 0.342 5.082 4.740 0.000 0.000 0.277 557 N C -0.787 174.687 175.510 -0.061 0.000 1.126 557 N CA -0.084 52.936 53.050 -0.050 0.000 0.978 557 N CB 0.816 39.272 38.487 -0.052 0.000 1.106 557 N HN 0.410 nan 8.380 nan 0.000 0.461 558 I N 3.069 123.587 120.570 -0.088 0.000 2.297 558 I HA 0.127 4.297 4.170 0.000 0.000 0.291 558 I C 1.063 177.132 176.117 -0.079 0.000 1.033 558 I CA -0.251 60.982 61.300 -0.111 0.000 1.253 558 I CB 1.056 38.929 38.000 -0.212 0.000 1.396 558 I HN 0.657 nan 8.210 nan 0.000 0.476 559 E N 5.706 125.880 120.200 -0.043 0.000 2.076 559 E HA 0.093 4.443 4.350 0.000 0.000 0.190 559 E C 0.095 176.698 176.600 0.005 0.000 0.979 559 E CA 0.978 57.375 56.400 -0.006 0.000 0.807 559 E CB 0.322 30.031 29.700 0.014 0.000 0.761 559 E HN 0.567 nan 8.360 nan 0.000 0.454 560 M N 0.498 120.093 119.600 -0.008 0.000 2.520 560 M HA 0.466 4.946 4.480 0.000 0.000 0.283 560 M C -1.294 175.000 176.300 -0.009 0.000 1.237 560 M CA -0.523 54.779 55.300 0.003 0.000 0.885 560 M CB 2.901 35.519 32.600 0.030 0.000 1.727 560 M HN -0.124 nan 8.290 nan 0.000 0.468 561 I N 1.139 121.711 120.570 0.003 0.000 2.582 561 I HA 0.878 5.048 4.170 0.000 0.000 0.292 561 I C -0.747 175.412 176.117 0.070 0.000 1.066 561 I CA -0.638 60.677 61.300 0.025 0.000 1.053 561 I CB 2.277 40.258 38.000 -0.032 0.000 1.241 561 I HN 0.811 nan 8.210 nan 0.000 0.421 562 A N 3.368 126.247 122.820 0.098 0.000 2.549 562 A HA 0.904 5.224 4.320 0.000 0.000 0.297 562 A C -0.896 176.749 177.584 0.101 0.000 1.061 562 A CA -0.518 51.576 52.037 0.095 0.000 0.690 562 A CB 2.231 21.281 19.000 0.083 0.000 1.287 562 A HN 0.556 nan 8.150 nan 0.000 0.402 563 T N 0.416 115.021 114.554 0.084 0.000 2.903 563 T HA 0.779 5.130 4.350 0.000 0.000 0.299 563 T C -0.069 174.659 174.700 0.046 0.000 1.093 563 T CA 0.301 62.444 62.100 0.071 0.000 1.002 563 T CB 1.492 70.408 68.868 0.080 0.000 1.127 563 T HN 1.628 nan 8.240 nan 0.000 0.488 564 S N 1.458 117.174 115.700 0.026 0.000 2.841 564 S HA 0.536 5.006 4.470 0.000 0.000 0.318 564 S C 0.616 175.218 174.600 0.003 0.000 1.127 564 S CA -0.679 57.529 58.200 0.013 0.000 0.883 564 S CB 0.997 64.196 63.200 -0.001 0.000 1.271 564 S HN 0.551 nan 8.310 nan 0.000 0.567 565 E N 0.446 120.643 120.200 -0.005 0.000 2.265 565 E HA 0.010 4.360 4.350 0.000 0.000 0.196 565 E C 1.303 177.884 176.600 -0.031 0.000 0.996 565 E CA 1.650 58.044 56.400 -0.011 0.000 0.832 565 E CB -0.519 29.173 29.700 -0.014 0.000 0.756 565 E HN 0.685 nan 8.360 nan 0.000 0.491 566 I N -3.991 116.553 120.570 -0.043 0.000 4.442 566 I HA 0.334 4.504 4.170 0.000 0.000 0.331 566 I C 0.104 176.168 176.117 -0.089 0.000 1.364 566 I CA -0.529 60.727 61.300 -0.072 0.000 1.207 566 I CB 0.684 38.640 38.000 -0.073 0.000 1.298 566 I HN -0.224 nan 8.210 nan 0.000 0.463 567 K N 2.325 122.689 120.400 -0.061 0.000 2.397 567 K HA 0.682 5.003 4.320 0.000 0.000 0.253 567 K C -1.487 175.106 176.600 -0.013 0.000 0.932 567 K CA -0.663 55.590 56.287 -0.057 0.000 0.795 567 K CB 2.377 34.855 32.500 -0.036 0.000 1.159 567 K HN 0.233 nan 8.250 nan 0.000 0.424 568 I N 2.382 122.950 120.570 -0.002 0.000 2.406 568 I HA 0.256 4.426 4.170 0.000 0.000 0.290 568 I C -0.539 175.708 176.117 0.216 0.000 0.999 568 I CA -0.615 60.763 61.300 0.129 0.000 1.124 568 I CB 2.179 40.305 38.000 0.210 0.000 1.289 568 I HN 0.457 nan 8.210 nan 0.000 0.441 569 S N 4.350 120.186 115.700 0.227 0.000 2.473 569 S HA 0.510 4.981 4.470 0.000 0.000 0.307 569 S C -0.851 173.896 174.600 0.245 0.000 1.094 569 S CA -0.528 57.814 58.200 0.236 0.000 1.070 569 S CB 1.372 64.652 63.200 0.134 0.000 1.019 569 S HN 0.584 nan 8.310 nan 0.000 0.480 570 C N 3.247 122.698 119.300 0.252 0.000 2.322 570 C HA 0.587 5.047 4.460 0.000 0.000 0.324 570 C C 0.436 175.475 174.990 0.080 0.000 1.284 570 C CA -0.845 58.233 59.018 0.099 0.000 1.606 570 C CB 0.455 28.174 27.740 -0.034 0.000 2.251 570 C HN 0.672 nan 8.230 nan 0.000 0.502 571 V N 4.103 124.043 119.914 0.043 0.000 2.649 571 V HA 0.614 4.734 4.120 0.000 0.000 0.292 571 V C 0.231 176.333 176.094 0.014 0.000 1.055 571 V CA 0.107 62.427 62.300 0.035 0.000 1.023 571 V CB 1.429 33.270 31.823 0.030 0.000 0.992 571 V HN 0.717 nan 8.190 nan 0.000 0.480 572 V N 5.078 125.003 119.914 0.018 0.000 3.216 572 V HA 0.466 4.586 4.120 0.000 0.000 0.302 572 V C -2.636 173.463 176.094 0.008 0.000 1.286 572 V CA -2.000 60.305 62.300 0.008 0.000 1.048 572 V CB 3.264 35.100 31.823 0.022 0.000 1.081 572 V HN 0.732 nan 8.190 nan 0.000 0.442 573 P HA 0.145 nan 4.420 nan 0.000 0.267 573 P C 0.198 177.501 177.300 0.006 0.000 1.205 573 P CA 0.354 63.453 63.100 -0.002 0.000 0.765 573 P CB 0.536 32.230 31.700 -0.009 0.000 0.828 574 Q N 2.935 122.738 119.800 0.006 0.000 2.112 574 Q HA -0.256 4.085 4.340 0.000 0.000 0.206 574 Q C 0.376 176.381 176.000 0.009 0.000 0.987 574 Q CA 2.218 58.027 55.803 0.010 0.000 0.858 574 Q CB -0.429 28.313 28.738 0.007 0.000 0.905 574 Q HN 0.451 nan 8.270 nan 0.000 0.420 575 D N -0.929 119.474 120.400 0.005 0.000 2.390 575 D HA -0.057 4.583 4.640 0.000 0.000 0.235 575 D C 1.066 177.370 176.300 0.007 0.000 1.040 575 D CA 0.514 54.517 54.000 0.005 0.000 0.923 575 D CB 0.126 40.926 40.800 0.001 0.000 0.886 575 D HN 0.152 nan 8.370 nan 0.000 0.532 576 R N -0.801 119.706 120.500 0.010 0.000 2.541 576 R HA 0.232 4.573 4.340 0.000 0.000 0.332 576 R C 1.929 178.245 176.300 0.025 0.000 0.951 576 R CA 0.150 56.259 56.100 0.014 0.000 1.136 576 R CB 0.385 30.691 30.300 0.010 0.000 1.449 576 R HN 0.124 nan 8.270 nan 0.000 0.531 577 G N 0.255 109.071 108.800 0.027 0.000 2.491 577 G HA2 -0.246 3.715 3.960 0.000 0.000 0.218 577 G HA3 -0.246 3.715 3.960 0.000 0.000 0.218 577 G C 1.201 176.126 174.900 0.041 0.000 1.180 577 G CA 1.306 46.429 45.100 0.038 0.000 0.774 577 G HN 0.136 nan 8.290 nan 0.000 0.562 578 V N 1.742 121.674 119.914 0.030 0.000 2.287 578 V HA -0.184 3.936 4.120 0.000 0.000 0.248 578 V C 2.624 178.737 176.094 0.031 0.000 1.053 578 V CA 2.400 64.717 62.300 0.027 0.000 1.027 578 V CB -0.658 31.177 31.823 0.019 0.000 0.646 578 V HN 0.345 nan 8.190 nan 0.000 0.447 579 D N 0.862 121.278 120.400 0.028 0.000 2.123 579 D HA -0.142 4.498 4.640 0.000 0.000 0.196 579 D C 2.142 178.468 176.300 0.043 0.000 0.992 579 D CA 1.615 55.632 54.000 0.028 0.000 0.833 579 D CB -0.464 40.348 40.800 0.020 0.000 0.954 579 D HN 0.464 nan 8.370 nan 0.000 0.455 580 A N 0.634 123.488 122.820 0.057 0.000 1.930 580 A HA 0.030 4.351 4.320 0.000 0.000 0.217 580 A C 2.611 180.268 177.584 0.122 0.000 1.175 580 A CA 2.043 54.136 52.037 0.094 0.000 0.627 580 A CB -1.185 17.876 19.000 0.101 0.000 0.815 580 A HN 0.288 nan 8.150 nan 0.000 0.443 581 L N -0.267 121.010 121.223 0.090 0.000 2.017 581 L HA -0.114 4.226 4.340 0.000 0.000 0.208 581 L C 2.456 179.362 176.870 0.060 0.000 1.073 581 L CA 2.902 57.787 54.840 0.076 0.000 0.745 581 L CB -1.723 40.365 42.059 0.048 0.000 0.894 581 L HN 0.550 nan 8.230 nan 0.000 0.432 582 K N -0.098 120.330 120.400 0.046 0.000 2.057 582 K HA -0.026 4.294 4.320 0.000 0.000 0.207 582 K C 2.571 179.192 176.600 0.035 0.000 1.049 582 K CA 1.262 57.569 56.287 0.033 0.000 0.931 582 K CB -0.449 32.065 32.500 0.023 0.000 0.714 582 K HN 0.614 nan 8.250 nan 0.000 0.440 583 A N 1.683 124.530 122.820 0.044 0.000 1.883 583 A HA -0.202 4.119 4.320 0.000 0.000 0.217 583 A C 2.407 180.018 177.584 0.045 0.000 1.186 583 A CA 2.139 54.197 52.037 0.035 0.000 0.624 583 A CB -0.848 18.181 19.000 0.049 0.000 0.822 583 A HN 0.363 nan 8.150 nan 0.000 0.444 584 A N -1.328 121.564 122.820 0.118 0.000 1.933 584 A HA -0.014 4.306 4.320 0.000 0.000 0.218 584 A C 2.187 179.851 177.584 0.133 0.000 1.175 584 A CA 2.429 54.556 52.037 0.150 0.000 0.628 584 A CB -1.533 17.535 19.000 0.114 0.000 0.814 584 A HN 1.051 nan 8.150 nan 0.000 0.444 585 H N -1.239 117.876 119.070 0.075 0.000 2.321 585 H HA -0.049 4.507 4.556 0.000 0.000 0.300 585 H C 2.582 177.945 175.328 0.058 0.000 1.087 585 H CA 2.245 58.330 56.048 0.061 0.000 1.319 585 H CB -0.800 28.982 29.762 0.032 0.000 1.379 585 H HN 0.568 nan 8.280 nan 0.000 0.501 586 S N 0.108 115.822 115.700 0.023 0.000 2.371 586 S HA 0.111 4.582 4.470 0.000 0.000 0.224 586 S C 2.901 177.477 174.600 -0.040 0.000 1.029 586 S CA 0.885 59.085 58.200 -0.001 0.000 0.978 586 S CB -0.500 62.693 63.200 -0.012 0.000 0.833 586 S HN 0.961 nan 8.310 nan 0.000 0.466 587 A N 0.873 123.616 122.820 -0.129 0.000 1.917 587 A HA -0.073 4.247 4.320 0.000 0.000 0.219 587 A C 1.482 178.863 177.584 -0.338 0.000 1.182 587 A CA 1.524 53.344 52.037 -0.361 0.000 0.633 587 A CB -0.652 17.927 19.000 -0.701 0.000 0.819 587 A HN 0.523 nan 8.150 nan 0.000 0.448 588 F N -1.161 118.814 119.950 0.041 0.000 2.678 588 F HA 0.236 4.764 4.527 0.000 0.000 0.305 588 F C 0.325 176.127 175.800 0.003 0.000 1.090 588 F CA -0.137 57.884 58.000 0.035 0.000 1.272 588 F CB 0.074 39.057 39.000 -0.027 0.000 1.060 588 F HN 0.197 nan 8.300 nan 0.000 0.576 589 N N 0.946 119.716 118.700 0.118 0.000 2.780 589 N HA -0.140 4.600 4.740 0.000 0.000 0.247 589 N C 0.894 176.435 175.510 0.053 0.000 1.076 589 N CA 0.826 53.915 53.050 0.066 0.000 0.688 589 N CB -1.591 36.928 38.487 0.053 0.000 0.957 589 N HN 0.242 nan 8.380 nan 0.000 0.551 590 L N -2.688 118.566 121.223 0.052 0.000 2.275 590 L HA 0.207 4.547 4.340 0.000 0.000 0.215 590 L C 1.906 178.783 176.870 0.012 0.000 1.119 590 L CA 2.119 56.974 54.840 0.025 0.000 0.790 590 L CB -1.586 40.483 42.059 0.017 0.000 0.919 590 L HN 0.272 nan 8.230 nan 0.000 0.443 591 A N -0.378 122.450 122.820 0.014 0.000 2.067 591 A HA 0.456 4.776 4.320 0.000 0.000 0.217 591 A C 1.690 179.277 177.584 0.005 0.000 1.156 591 A CA 1.058 53.099 52.037 0.007 0.000 0.683 591 A CB -0.921 18.083 19.000 0.007 0.000 0.808 591 A HN 0.902 nan 8.150 nan 0.000 0.455 592 G N -1.692 107.113 108.800 0.008 0.000 2.525 592 G HA2 -0.093 3.867 3.960 0.000 0.000 0.248 592 G HA3 -0.093 3.867 3.960 0.000 0.000 0.248 592 G C -0.107 174.796 174.900 0.005 0.000 1.238 592 G CA 0.028 45.132 45.100 0.006 0.000 0.926 592 G HN 1.024 nan 8.290 nan 0.000 0.574 593 T N 1.245 115.800 114.554 0.003 0.000 3.031 593 T HA 0.550 4.900 4.350 0.000 0.000 0.305 593 T C 0.203 174.904 174.700 0.001 0.000 0.985 593 T CA -0.010 62.091 62.100 0.002 0.000 1.008 593 T CB 1.519 70.388 68.868 0.002 0.000 1.005 593 T HN 0.875 nan 8.240 nan 0.000 0.444 594 K N 1.421 121.822 120.400 0.001 0.000 2.148 594 K HA 0.773 5.094 4.320 0.000 0.000 0.239 594 K C -0.262 176.339 176.600 0.001 0.000 1.018 594 K CA -0.540 55.748 56.287 0.001 0.000 0.923 594 K CB 1.295 33.796 32.500 0.001 0.000 1.117 594 K HN 0.575 nan 8.250 nan 0.000 0.477 595 T N -1.927 112.628 114.554 0.001 0.000 2.900 595 T HA 0.523 4.873 4.350 0.000 0.000 0.303 595 T C -0.991 173.710 174.700 0.001 0.000 1.142 595 T CA -0.710 61.390 62.100 0.001 0.000 1.007 595 T CB 1.439 70.308 68.868 0.000 0.000 1.156 595 T HN 0.624 nan 8.240 nan 0.000 0.490 596 V N -0.096 119.819 119.914 0.001 0.000 2.760 596 V HA 0.722 4.842 4.120 0.000 0.000 0.309 596 V C 0.408 176.502 176.094 0.001 0.000 1.077 596 V CA -0.782 61.518 62.300 0.001 0.000 0.910 596 V CB 1.166 32.989 31.823 0.001 0.000 1.008 596 V HN 1.158 nan 8.190 nan 0.000 0.424 597 T N 3.191 117.745 114.554 0.001 0.000 2.759 597 T HA 0.175 4.525 4.350 0.000 0.000 0.273 597 T C 0.051 174.752 174.700 0.001 0.000 0.938 597 T CA 0.529 62.629 62.100 0.001 0.000 1.197 597 T CB 0.100 68.969 68.868 0.001 0.000 0.887 597 T HN 1.662 nan 8.240 nan 0.000 0.540 598 V N 8.239 128.153 119.914 0.001 0.000 2.439 598 V HA 0.450 4.570 4.120 0.000 0.000 0.271 598 V C -1.681 174.414 176.094 0.001 0.000 1.040 598 V CA -1.402 60.898 62.300 0.001 0.000 1.002 598 V CB -0.020 31.803 31.823 0.000 0.000 1.000 598 V HN 0.860 nan 8.190 nan 0.000 0.477 599 P HA 0.531 nan 4.420 nan 0.000 0.323 599 P C 0.531 177.832 177.300 0.001 0.000 1.319 599 P CA 0.327 63.427 63.100 0.001 0.000 0.741 599 P CB -0.136 31.564 31.700 0.001 0.000 1.545 600 A N 0.000 122.820 122.820 0.001 0.000 2.254 600 A HA 0.000 4.320 4.320 0.000 0.000 0.244 600 A CA 0.000 52.037 52.037 0.000 0.000 0.836 600 A CB 0.000 19.000 19.000 0.000 0.000 0.831 600 A HN 0.000 nan 8.150 nan 0.000 0.486