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 2vf7_1_B DATA FIRST_RESID 8 DATA SEQUENCE PDFPDGGFVQ VRGARQHNLK DISVKVPRDA LVVFTGVSGS GKSSLAFGTL DATA SEQUENCE YAEAQRRYLE SVSPYARRLF NQAGVPDVDA IDGLPPAVAL QQARGTPTAR DATA SEQUENCE SSVGSVTTLS NLLRMLYSRA GDYPPGQGIV YAEGFSPNTP EGACPECHGL DATA SEQUENCE GRVYTVTEDS MVPDPSLTIR ERAVAAWPQA WGGQNQRDIL VTLGIDVDVP DATA SEQUENCE WRELPEETRH WILFTDEQPV VPVYPGLTPA ETQRALKKKM EPSYMGTFSS DATA SEQUENCE ARRHVLHTFA NTESASMKKR VQGYMISEEC PLCHGKRLRQ EALNVTFAGL DATA SEQUENCE DITELSRLPL ARVSELLRPY AEEREPGHAE RVKNRPEQAI ALQRMAADLV DATA SEQUENCE KRLDVLLHLG LGYLGLDRST PTLSPGELQR LRLATQLYSN LFGVVYVLDE DATA SEQUENCE PSAGLHPADT EALLSALENL KRGGNSLFVV EHDLDVIRRA DWLVDVGPEA DATA SEQUENCE GEKGGEILYS GPPEGLKHVP ESQTGQYLFA DRHTEPHTPR EPAGWLELNG DATA SEQUENCE VTRNNLDNLD VRFPLGVMTS VTGVSGSGKS TLVSQALVDA LAAHFGQXXX DATA SEQUENCE XXXXXXXXXX XXXXGSARLG GDLAQITRLV RVDQKPIGRT PRSNMATYTG DATA SEQUENCE LFDQVRKLFA ATPLAKKRGY NAGRFSFNVK GGRCEHCQGE GWVMVXXXXX DATA SEQUENCE PSVYAPCPVC HGTRYNAETL EVEYRGKNIA DVLALTVDEA HDFFADESAI DATA SEQUENCE FRALDTLREV GLGYLRLGQP ATELSGGEAQ RIKLATELRR SGRGGTVYVL DATA SEQUENCE DEPTTGLHPA DVERLQRQLV KLVDAGNTVI AVEHKMQVVA ASDWVLDIGP DATA SEQUENCE GAGEDGGRLV AQGTPAEVAQ AAGSVTAPYL RAALR 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.262 177.300 -0.063 0.000 1.155 8 P CA 0.000 63.102 63.100 0.003 0.000 0.800 8 P CB 0.000 31.718 31.700 0.030 0.000 0.726 9 D N 0.677 120.887 120.400 -0.318 0.000 2.602 9 D HA 0.331 4.971 4.640 0.000 0.000 0.245 9 D C -1.283 174.676 176.300 -0.568 0.000 1.325 9 D CA -0.168 53.661 54.000 -0.284 0.000 0.952 9 D CB 1.005 41.680 40.800 -0.208 0.000 1.317 9 D HN -0.152 nan 8.370 nan 0.000 0.577 10 F N 2.086 122.089 119.950 0.087 0.000 2.553 10 F HA 0.332 4.859 4.527 0.000 0.000 0.335 10 F C -2.028 173.804 175.800 0.053 0.000 1.148 10 F CA -1.654 56.366 58.000 0.032 0.000 0.963 10 F CB 1.969 41.036 39.000 0.112 0.000 1.217 10 F HN 0.043 nan 8.300 nan 0.000 0.441 11 P HA 0.155 nan 4.420 nan 0.000 0.276 11 P C -0.515 176.887 177.300 0.169 0.000 1.243 11 P CA -0.334 62.828 63.100 0.104 0.000 0.768 11 P CB 0.768 32.484 31.700 0.026 0.000 0.856 12 D N 2.017 122.568 120.400 0.251 0.000 2.443 12 D HA 0.155 4.795 4.640 0.000 0.000 0.234 12 D C 1.608 178.045 176.300 0.228 0.000 1.172 12 D CA 1.423 55.613 54.000 0.317 0.000 0.878 12 D CB -0.021 40.885 40.800 0.177 0.000 1.204 12 D HN 0.690 nan 8.370 nan 0.000 0.453 13 G N 1.081 110.052 108.800 0.284 0.000 2.225 13 G HA2 -0.218 3.742 3.960 0.000 0.000 0.267 13 G HA3 -0.218 3.742 3.960 0.000 0.000 0.267 13 G C 0.851 175.809 174.900 0.098 0.000 1.024 13 G CA 0.428 45.629 45.100 0.168 0.000 0.784 13 G HN 0.761 nan 8.290 nan 0.000 0.507 14 G N -1.088 107.741 108.800 0.049 0.000 3.805 14 G HA2 0.537 4.497 3.960 0.000 0.000 0.290 14 G HA3 0.537 4.497 3.960 0.000 0.000 0.290 14 G C -0.070 174.594 174.900 -0.393 0.000 1.077 14 G CA -0.532 44.454 45.100 -0.190 0.000 0.852 14 G HN 0.334 nan 8.290 nan 0.000 0.531 15 F N -0.145 119.754 119.950 -0.085 0.000 2.546 15 F HA 0.502 5.029 4.527 -0.000 0.000 0.320 15 F C 0.145 175.895 175.800 -0.083 0.000 1.076 15 F CA -1.067 56.850 58.000 -0.138 0.000 0.928 15 F CB 2.378 41.273 39.000 -0.175 0.000 1.189 15 F HN -0.236 nan 8.300 nan 0.000 0.465 16 V N 2.247 122.232 119.914 0.118 0.000 2.530 16 V HA 0.251 4.371 4.120 0.000 0.000 0.282 16 V C -0.446 175.696 176.094 0.080 0.000 1.048 16 V CA -0.395 61.964 62.300 0.098 0.000 0.997 16 V CB 1.182 33.093 31.823 0.147 0.000 0.987 16 V HN 0.655 nan 8.190 nan 0.000 0.477 17 Q N 4.196 124.027 119.800 0.052 0.000 2.413 17 Q HA 0.491 4.831 4.340 0.000 0.000 0.258 17 Q C -1.127 174.882 176.000 0.015 0.000 1.037 17 Q CA -0.196 55.619 55.803 0.020 0.000 0.764 17 Q CB 1.631 30.375 28.738 0.011 0.000 1.217 17 Q HN 0.621 nan 8.270 nan 0.000 0.490 18 V N 4.533 124.454 119.914 0.011 0.000 2.481 18 V HA 0.620 4.740 4.120 0.000 0.000 0.286 18 V C -0.010 176.085 176.094 0.002 0.000 1.042 18 V CA -0.522 61.785 62.300 0.011 0.000 0.928 18 V CB 1.545 33.378 31.823 0.018 0.000 0.986 18 V HN 0.683 nan 8.190 nan 0.000 0.462 19 R N 2.130 122.631 120.500 0.002 0.000 2.604 19 R HA 0.565 4.905 4.340 0.000 0.000 0.281 19 R C 0.534 176.834 176.300 -0.000 0.000 1.020 19 R CA -0.166 55.933 56.100 -0.002 0.000 0.899 19 R CB 1.971 32.268 30.300 -0.005 0.000 1.205 19 R HN 1.061 nan 8.270 nan 0.000 0.450 20 G N 1.370 110.170 108.800 0.000 0.000 2.273 20 G HA2 -0.273 3.687 3.960 0.000 0.000 0.280 20 G HA3 -0.273 3.687 3.960 0.000 0.000 0.280 20 G C -0.080 174.820 174.900 0.001 0.000 1.047 20 G CA 0.330 45.431 45.100 0.001 0.000 0.869 20 G HN 0.738 nan 8.290 nan 0.000 0.502 21 A N 0.408 123.229 122.820 0.002 0.000 2.354 21 A HA 0.721 5.041 4.320 0.000 0.000 0.281 21 A C 1.158 178.742 177.584 0.000 0.000 1.174 21 A CA 0.251 52.288 52.037 -0.001 0.000 0.828 21 A CB 0.214 19.216 19.000 0.003 0.000 1.099 21 A HN 1.178 nan 8.150 nan 0.000 0.516 22 R N 2.351 122.847 120.500 -0.008 0.000 2.661 22 R HA 0.217 4.557 4.340 0.000 0.000 0.429 22 R C -0.400 175.889 176.300 -0.019 0.000 1.044 22 R CA -0.557 55.541 56.100 -0.002 0.000 1.065 22 R CB -0.124 30.180 30.300 0.006 0.000 1.377 22 R HN 0.568 nan 8.270 nan 0.000 0.600 23 Q N 1.906 121.670 119.800 -0.059 0.000 2.289 23 Q HA 0.089 4.429 4.340 0.000 0.000 0.273 23 Q C -0.171 175.759 176.000 -0.116 0.000 1.029 23 Q CA 1.163 56.861 55.803 -0.174 0.000 0.896 23 Q CB 0.128 28.705 28.738 -0.269 0.000 1.182 23 Q HN 0.534 nan 8.270 nan 0.000 0.385 24 H N 1.527 120.621 119.070 0.041 0.000 1.452 24 H HA -0.341 4.215 4.556 -0.000 0.000 0.090 24 H C 0.355 175.705 175.328 0.037 0.000 0.618 24 H CA 1.438 57.511 56.048 0.042 0.000 1.901 24 H CB -1.031 28.758 29.762 0.044 0.000 2.257 24 H HN 0.865 nan 8.280 nan 0.000 0.961 25 N N 2.562 121.376 118.700 0.190 0.000 2.270 25 N HA 0.068 4.808 4.740 0.000 0.000 0.198 25 N C -0.380 175.171 175.510 0.067 0.000 1.117 25 N CA 0.110 53.221 53.050 0.102 0.000 0.845 25 N CB 0.375 38.908 38.487 0.076 0.000 0.980 25 N HN 0.144 nan 8.380 nan 0.000 0.486 26 L N 1.395 122.656 121.223 0.063 0.000 2.455 26 L HA 0.137 4.477 4.340 0.000 0.000 0.272 26 L C 0.697 177.585 176.870 0.030 0.000 1.174 26 L CA 0.529 55.392 54.840 0.039 0.000 0.869 26 L CB 0.364 42.439 42.059 0.026 0.000 1.130 26 L HN 0.045 nan 8.230 nan 0.000 0.474 27 K N 2.598 123.014 120.400 0.026 0.000 2.778 27 K HA 0.149 4.469 4.320 0.000 0.000 0.238 27 K C -0.283 176.327 176.600 0.016 0.000 1.233 27 K CA -0.141 56.158 56.287 0.021 0.000 1.195 27 K CB -0.149 32.363 32.500 0.020 0.000 1.743 27 K HN 0.520 nan 8.250 nan 0.000 0.418 28 D N 1.253 121.661 120.400 0.014 0.000 2.699 28 D HA -0.166 4.474 4.640 0.000 0.000 0.239 28 D C -0.550 175.755 176.300 0.008 0.000 1.136 28 D CA 0.585 54.590 54.000 0.009 0.000 0.668 28 D CB -0.963 39.842 40.800 0.008 0.000 1.060 28 D HN 0.491 nan 8.370 nan 0.000 0.429 29 I N -2.686 117.891 120.570 0.010 0.000 2.713 29 I HA 0.651 4.821 4.170 0.000 0.000 0.300 29 I C 0.086 176.208 176.117 0.007 0.000 1.009 29 I CA -0.336 60.970 61.300 0.011 0.000 1.305 29 I CB 2.014 40.025 38.000 0.019 0.000 1.430 29 I HN -0.055 nan 8.210 nan 0.000 0.546 30 S N 3.444 119.146 115.700 0.002 0.000 2.594 30 S HA 0.781 5.251 4.470 0.000 0.000 0.296 30 S C -0.623 173.973 174.600 -0.007 0.000 1.124 30 S CA -0.700 57.498 58.200 -0.003 0.000 1.011 30 S CB 1.523 64.716 63.200 -0.011 0.000 1.016 30 S HN 0.688 nan 8.310 nan 0.000 0.485 31 V N 1.083 120.997 119.914 -0.001 0.000 2.876 31 V HA 0.721 4.841 4.120 0.000 0.000 0.312 31 V C -0.680 175.405 176.094 -0.014 0.000 1.085 31 V CA -1.364 60.935 62.300 -0.002 0.000 0.945 31 V CB 1.693 33.533 31.823 0.028 0.000 1.017 31 V HN 0.906 nan 8.190 nan 0.000 0.428 32 K N 2.207 122.587 120.400 -0.034 0.000 2.182 32 K HA 0.876 5.196 4.320 0.000 0.000 0.262 32 K C -0.858 175.710 176.600 -0.053 0.000 0.957 32 K CA -0.746 55.502 56.287 -0.066 0.000 0.842 32 K CB 2.222 34.571 32.500 -0.252 0.000 1.099 32 K HN 1.017 nan 8.250 nan 0.000 0.438 33 V N -0.939 118.919 119.914 -0.093 0.000 2.709 33 V HA 0.637 4.757 4.120 0.000 0.000 0.308 33 V C -2.828 173.062 176.094 -0.340 0.000 1.062 33 V CA -2.576 59.498 62.300 -0.378 0.000 0.901 33 V CB 1.494 33.139 31.823 -0.298 0.000 1.003 33 V HN 0.826 nan 8.190 nan 0.000 0.425 34 P HA 0.385 nan 4.420 nan 0.000 0.277 34 P C -0.763 176.362 177.300 -0.292 0.000 1.240 34 P CA -0.400 62.225 63.100 -0.793 0.000 0.798 34 P CB 1.081 32.117 31.700 -1.105 0.000 0.979 35 R N 0.899 121.249 120.500 -0.250 0.000 2.607 35 R HA 0.353 4.693 4.340 0.000 0.000 0.261 35 R C -0.509 175.729 176.300 -0.103 0.000 1.051 35 R CA -0.437 55.596 56.100 -0.112 0.000 1.110 35 R CB 0.051 30.282 30.300 -0.116 0.000 1.158 35 R HN 0.351 nan 8.270 nan 0.000 0.543 36 D N -1.007 119.339 120.400 -0.090 0.000 2.800 36 D HA -0.182 4.458 4.640 0.000 0.000 0.232 36 D C -0.914 175.390 176.300 0.006 0.000 1.137 36 D CA 1.567 55.528 54.000 -0.065 0.000 0.718 36 D CB -1.108 39.644 40.800 -0.080 0.000 1.084 36 D HN 0.742 nan 8.370 nan 0.000 0.432 37 A N -0.403 122.448 122.820 0.051 0.000 2.569 37 A HA 0.676 4.996 4.320 0.000 0.000 0.290 37 A C -0.923 176.750 177.584 0.148 0.000 1.136 37 A CA -0.798 51.316 52.037 0.128 0.000 0.710 37 A CB 1.541 20.674 19.000 0.222 0.000 1.303 37 A HN 0.110 nan 8.150 nan 0.000 0.413 38 L N 1.405 122.727 121.223 0.166 0.000 2.325 38 L HA 0.553 4.893 4.340 0.000 0.000 0.284 38 L C -0.872 176.126 176.870 0.213 0.000 1.089 38 L CA 0.202 55.147 54.840 0.175 0.000 0.836 38 L CB 0.452 42.594 42.059 0.139 0.000 1.184 38 L HN 0.350 nan 8.230 nan 0.000 0.444 39 V N 6.316 126.382 119.914 0.254 0.000 2.357 39 V HA 0.458 4.578 4.120 0.000 0.000 0.284 39 V C -0.192 175.996 176.094 0.157 0.000 1.018 39 V CA -0.728 61.689 62.300 0.194 0.000 0.841 39 V CB 1.570 33.503 31.823 0.183 0.000 0.991 39 V HN 0.481 nan 8.190 nan 0.000 0.437 40 V N 5.171 125.103 119.914 0.030 0.000 2.435 40 V HA 0.510 4.630 4.120 0.000 0.000 0.290 40 V C -0.600 175.431 176.094 -0.105 0.000 1.030 40 V CA -0.479 61.857 62.300 0.060 0.000 0.881 40 V CB 1.525 33.389 31.823 0.070 0.000 0.983 40 V HN 0.676 nan 8.190 nan 0.000 0.445 41 F N 3.286 123.247 119.950 0.018 0.000 2.332 41 F HA 0.564 5.091 4.527 0.000 0.000 0.368 41 F C 0.786 176.584 175.800 -0.003 0.000 1.110 41 F CA -0.343 57.658 58.000 0.003 0.000 1.087 41 F CB 1.755 40.744 39.000 -0.018 0.000 1.235 41 F HN 0.606 nan 8.300 nan 0.000 0.470 42 T N 0.238 114.864 114.554 0.120 0.000 2.930 42 T HA 0.990 5.340 4.350 0.000 0.000 0.290 42 T C -0.100 174.679 174.700 0.132 0.000 1.052 42 T CA -0.630 61.535 62.100 0.109 0.000 1.017 42 T CB 2.037 70.969 68.868 0.107 0.000 1.137 42 T HN 1.022 nan 8.240 nan 0.000 0.511 43 G N -0.107 108.805 108.800 0.187 0.000 2.368 43 G HA2 0.370 4.330 3.960 0.000 0.000 0.302 43 G HA3 0.370 4.330 3.960 0.000 0.000 0.302 43 G C -0.922 174.007 174.900 0.048 0.000 1.329 43 G CA -0.439 44.703 45.100 0.072 0.000 0.935 43 G HN 0.921 nan 8.290 nan 0.000 0.590 44 V N 0.157 119.963 119.914 -0.180 0.000 3.432 44 V HA 0.434 4.554 4.120 0.000 0.000 0.304 44 V C 1.544 177.633 176.094 -0.008 0.000 1.107 44 V CA 0.779 62.974 62.300 -0.174 0.000 1.153 44 V CB 1.598 33.305 31.823 -0.193 0.000 1.072 44 V HN 1.261 nan 8.190 nan 0.000 0.485 45 S N 1.422 117.103 115.700 -0.032 0.000 2.505 45 S HA 0.469 4.939 4.470 0.000 0.000 0.276 45 S C 0.937 175.381 174.600 -0.259 0.000 1.274 45 S CA 0.299 58.473 58.200 -0.044 0.000 1.053 45 S CB 0.103 63.294 63.200 -0.015 0.000 0.919 45 S HN 1.853 nan 8.310 nan 0.000 0.490 46 G N 3.153 111.752 108.800 -0.334 0.000 2.157 46 G HA2 -0.296 3.664 3.960 0.000 0.000 0.248 46 G HA3 -0.296 3.664 3.960 0.000 0.000 0.248 46 G C 0.878 175.548 174.900 -0.384 0.000 0.979 46 G CA 0.780 45.447 45.100 -0.721 0.000 0.650 46 G HN 1.429 nan 8.290 nan 0.000 0.529 47 S N -0.981 114.608 115.700 -0.185 0.000 2.478 47 S HA 0.441 4.911 4.470 0.000 0.000 0.222 47 S C 2.083 176.668 174.600 -0.025 0.000 1.008 47 S CA 1.508 59.651 58.200 -0.094 0.000 0.928 47 S CB 0.450 63.617 63.200 -0.055 0.000 0.781 47 S HN 2.310 nan 8.310 nan 0.000 0.518 48 G N 1.156 109.958 108.800 0.003 0.000 2.227 48 G HA2 -0.194 3.766 3.960 0.000 0.000 0.168 48 G HA3 -0.194 3.766 3.960 0.000 0.000 0.168 48 G C 0.746 175.695 174.900 0.081 0.000 1.006 48 G CA 0.134 45.266 45.100 0.053 0.000 0.684 48 G HN 0.397 nan 8.290 nan 0.000 0.489 49 K N 1.053 121.507 120.400 0.090 0.000 2.052 49 K HA -0.227 4.093 4.320 0.000 0.000 0.215 49 K C 2.797 179.450 176.600 0.089 0.000 1.053 49 K CA 2.348 58.706 56.287 0.117 0.000 0.934 49 K CB -0.330 32.242 32.500 0.120 0.000 0.717 49 K HN 0.669 nan 8.250 nan 0.000 0.450 50 S N -0.043 115.729 115.700 0.120 0.000 2.496 50 S HA 0.023 4.493 4.470 0.000 0.000 0.224 50 S C 1.939 176.653 174.600 0.191 0.000 0.996 50 S CA 0.809 59.126 58.200 0.195 0.000 0.927 50 S CB 0.247 63.528 63.200 0.136 0.000 0.774 50 S HN 0.073 nan 8.310 nan 0.000 0.524 51 S N 1.716 117.511 115.700 0.158 0.000 2.383 51 S HA 0.058 4.528 4.470 0.000 0.000 0.227 51 S C 1.644 176.278 174.600 0.056 0.000 1.026 51 S CA 1.203 59.499 58.200 0.159 0.000 0.981 51 S CB -0.419 62.894 63.200 0.188 0.000 0.818 51 S HN 0.517 nan 8.310 nan 0.000 0.472 52 L N 1.560 122.798 121.223 0.024 0.000 2.084 52 L HA 0.306 4.646 4.340 0.000 0.000 0.202 52 L C 2.273 179.043 176.870 -0.166 0.000 1.074 52 L CA 1.725 56.539 54.840 -0.043 0.000 0.757 52 L CB -1.201 40.856 42.059 -0.003 0.000 0.918 52 L HN 0.175 nan 8.230 nan 0.000 0.444 53 A N -0.994 121.633 122.820 -0.321 0.000 1.873 53 A HA -0.128 4.192 4.320 0.000 0.000 0.215 53 A C 1.998 179.386 177.584 -0.328 0.000 1.186 53 A CA 2.148 53.841 52.037 -0.574 0.000 0.616 53 A CB -0.855 17.688 19.000 -0.761 0.000 0.823 53 A HN 0.487 nan 8.150 nan 0.000 0.442 54 F N -1.065 118.855 119.950 -0.051 0.000 2.453 54 F HA 0.229 4.756 4.527 -0.000 0.000 0.284 54 F C 2.572 178.445 175.800 0.123 0.000 1.065 54 F CA 0.644 58.682 58.000 0.063 0.000 1.411 54 F CB -0.473 38.526 39.000 -0.003 0.000 1.131 54 F HN 0.262 nan 8.300 nan 0.000 0.582 55 G N -0.986 107.963 108.800 0.249 0.000 2.511 55 G HA2 -0.035 3.925 3.960 0.000 0.000 0.217 55 G HA3 -0.035 3.925 3.960 0.000 0.000 0.217 55 G C 1.387 176.316 174.900 0.050 0.000 1.133 55 G CA 1.495 46.676 45.100 0.135 0.000 0.792 55 G HN 0.294 nan 8.290 nan 0.000 0.539 56 T N 0.113 114.689 114.554 0.036 0.000 3.151 56 T HA 0.197 4.547 4.350 0.000 0.000 0.239 56 T C 2.306 177.017 174.700 0.018 0.000 0.979 56 T CA -0.004 62.099 62.100 0.005 0.000 1.194 56 T CB -0.112 68.746 68.868 -0.016 0.000 0.982 56 T HN 0.047 nan 8.240 nan 0.000 0.428 57 L N 0.015 121.246 121.223 0.014 0.000 2.068 57 L HA 0.093 4.433 4.340 0.000 0.000 0.204 57 L C 2.422 179.323 176.870 0.051 0.000 1.076 57 L CA 1.318 56.183 54.840 0.041 0.000 0.753 57 L CB -0.508 41.586 42.059 0.059 0.000 0.910 57 L HN 0.253 nan 8.230 nan 0.000 0.439 58 Y N 0.813 121.083 120.300 -0.050 0.000 2.145 58 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 58 Y C 2.453 178.360 175.900 0.011 0.000 1.145 58 Y CA 1.408 59.478 58.100 -0.051 0.000 1.148 58 Y CB -0.335 38.074 38.460 -0.084 0.000 0.981 58 Y HN 0.100 nan 8.280 nan 0.000 0.507 59 A N -0.158 122.677 122.820 0.026 0.000 1.933 59 A HA -0.209 4.111 4.320 0.000 0.000 0.218 59 A C 2.099 179.630 177.584 -0.088 0.000 1.175 59 A CA 1.925 53.952 52.037 -0.017 0.000 0.628 59 A CB -0.809 18.265 19.000 0.124 0.000 0.814 59 A HN 0.589 nan 8.150 nan 0.000 0.444 60 E N 0.038 120.201 120.200 -0.062 0.000 2.028 60 E HA -0.012 4.338 4.350 0.000 0.000 0.191 60 E C 2.124 178.675 176.600 -0.083 0.000 0.988 60 E CA 1.491 57.863 56.400 -0.046 0.000 0.799 60 E CB -0.496 29.192 29.700 -0.019 0.000 0.755 60 E HN 0.440 nan 8.360 nan 0.000 0.447 61 A N 0.805 123.548 122.820 -0.128 0.000 1.903 61 A HA -0.324 3.996 4.320 0.000 0.000 0.219 61 A C 2.226 179.711 177.584 -0.166 0.000 1.191 61 A CA 2.075 54.022 52.037 -0.149 0.000 0.638 61 A CB -0.772 18.107 19.000 -0.202 0.000 0.823 61 A HN 0.350 nan 8.150 nan 0.000 0.451 62 Q N -1.208 118.416 119.800 -0.293 0.000 2.050 62 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 62 Q C 2.429 178.390 176.000 -0.064 0.000 0.980 62 Q CA 1.484 57.139 55.803 -0.247 0.000 0.840 62 Q CB -0.288 28.188 28.738 -0.437 0.000 0.898 62 Q HN 0.706 nan 8.270 nan 0.000 0.424 63 R N 0.559 121.043 120.500 -0.026 0.000 2.081 63 R HA -0.104 4.236 4.340 0.000 0.000 0.235 63 R C 2.183 178.501 176.300 0.030 0.000 1.131 63 R CA 1.272 57.402 56.100 0.049 0.000 0.960 63 R CB 0.036 30.378 30.300 0.069 0.000 0.856 63 R HN 0.141 nan 8.270 nan 0.000 0.436 64 R N -1.321 119.189 120.500 0.015 0.000 2.148 64 R HA -0.146 4.194 4.340 0.000 0.000 0.223 64 R C 1.935 178.253 176.300 0.030 0.000 1.088 64 R CA 1.225 57.333 56.100 0.013 0.000 0.985 64 R CB -0.183 30.122 30.300 0.008 0.000 0.880 64 R HN 0.319 nan 8.270 nan 0.000 0.451 65 Y N 1.089 121.339 120.300 -0.083 0.000 2.201 65 Y HA -0.015 4.535 4.550 0.000 0.000 0.292 65 Y C 1.843 177.696 175.900 -0.078 0.000 1.119 65 Y CA 1.111 59.161 58.100 -0.083 0.000 1.127 65 Y CB -0.113 38.287 38.460 -0.100 0.000 1.019 65 Y HN -0.140 nan 8.280 nan 0.000 0.514 66 L N 0.191 121.412 121.223 -0.003 0.000 2.079 66 L HA -0.223 4.117 4.340 0.000 0.000 0.210 66 L C 2.125 178.919 176.870 -0.128 0.000 1.081 66 L CA 1.789 56.573 54.840 -0.094 0.000 0.752 66 L CB -0.634 41.381 42.059 -0.073 0.000 0.896 66 L HN 0.325 nan 8.230 nan 0.000 0.433 67 E N -0.363 119.783 120.200 -0.089 0.000 2.274 67 E HA -0.110 4.240 4.350 0.000 0.000 0.194 67 E C 2.187 178.688 176.600 -0.165 0.000 0.996 67 E CA 1.033 57.376 56.400 -0.095 0.000 0.840 67 E CB 0.130 29.798 29.700 -0.053 0.000 0.772 67 E HN 0.409 nan 8.360 nan 0.000 0.491 68 S N -0.159 115.417 115.700 -0.206 0.000 2.456 68 S HA -0.011 4.459 4.470 0.000 0.000 0.224 68 S C 2.051 176.480 174.600 -0.284 0.000 1.035 68 S CA 0.065 58.127 58.200 -0.229 0.000 0.940 68 S CB 0.368 63.447 63.200 -0.203 0.000 0.799 68 S HN 0.021 nan 8.310 nan 0.000 0.508 69 V N 1.086 120.774 119.914 -0.376 0.000 2.407 69 V HA 0.094 4.214 4.120 0.000 0.000 0.245 69 V C 0.584 176.571 176.094 -0.178 0.000 1.041 69 V CA 1.155 63.254 62.300 -0.334 0.000 1.040 69 V CB -0.009 31.529 31.823 -0.475 0.000 0.671 69 V HN 0.282 nan 8.190 nan 0.000 0.455 70 S N -0.246 115.362 115.700 -0.153 0.000 2.542 70 S HA 0.386 4.856 4.470 0.000 0.000 0.245 70 S C -2.019 172.467 174.600 -0.189 0.000 1.325 70 S CA -0.803 57.367 58.200 -0.050 0.000 1.176 70 S CB 1.845 65.087 63.200 0.071 0.000 1.045 70 S HN 0.188 nan 8.310 nan 0.000 0.481 71 P HA -0.110 nan 4.420 nan 0.000 0.205 71 P C 1.031 178.110 177.300 -0.369 0.000 1.203 71 P CA 1.070 63.831 63.100 -0.566 0.000 0.926 71 P CB -0.105 31.094 31.700 -0.834 0.000 0.767 72 Y N 0.472 120.762 120.300 -0.015 0.000 1.795 72 Y HA -0.287 4.263 4.550 0.000 0.000 0.207 72 Y C 2.599 178.500 175.900 0.002 0.000 1.043 72 Y CA 1.019 59.115 58.100 -0.007 0.000 0.973 72 Y CB -2.424 36.030 38.460 -0.009 0.000 0.847 72 Y HN -0.046 nan 8.280 nan 0.000 0.548 73 A N 0.194 123.265 122.820 0.418 0.000 1.940 73 A HA -0.192 4.128 4.320 0.000 0.000 0.219 73 A C 1.822 179.496 177.584 0.149 0.000 1.176 73 A CA 1.954 54.112 52.037 0.202 0.000 0.631 73 A CB -0.721 18.364 19.000 0.142 0.000 0.814 73 A HN 0.437 nan 8.150 nan 0.000 0.446 74 R N -0.375 120.209 120.500 0.141 0.000 3.752 74 R HA 0.371 4.711 4.340 0.000 0.000 0.291 74 R C 0.230 176.573 176.300 0.071 0.000 1.433 74 R CA 0.035 56.194 56.100 0.098 0.000 1.518 74 R CB -0.792 29.537 30.300 0.048 0.000 1.413 74 R HN 0.323 nan 8.270 nan 0.000 0.676 75 R N 1.560 122.107 120.500 0.079 0.000 2.629 75 R HA 0.240 4.580 4.340 0.000 0.000 0.408 75 R C -0.233 176.115 176.300 0.081 0.000 1.057 75 R CA 0.030 56.167 56.100 0.062 0.000 1.119 75 R CB 0.571 30.881 30.300 0.016 0.000 1.403 75 R HN 0.311 nan 8.270 nan 0.000 0.576 76 L N -0.649 120.644 121.223 0.117 0.000 2.803 76 L HA 0.098 4.438 4.340 0.000 0.000 0.246 76 L C 1.488 178.423 176.870 0.108 0.000 1.100 76 L CA 0.478 55.373 54.840 0.091 0.000 0.919 76 L CB -1.225 40.883 42.059 0.081 0.000 1.285 76 L HN 0.130 nan 8.230 nan 0.000 0.522 77 F N 3.321 123.286 119.950 0.024 0.000 2.154 77 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 77 F C 1.617 177.437 175.800 0.033 0.000 1.087 77 F CA 1.657 59.673 58.000 0.027 0.000 1.274 77 F CB -0.549 38.468 39.000 0.028 0.000 1.009 77 F HN 0.363 nan 8.300 nan 0.000 0.485 78 N N 1.294 119.830 118.700 -0.272 0.000 2.648 78 N HA -0.156 4.584 4.740 0.000 0.000 0.210 78 N C 0.800 176.175 175.510 -0.225 0.000 1.464 78 N CA 0.619 53.465 53.050 -0.340 0.000 0.890 78 N CB -1.213 37.246 38.487 -0.046 0.000 1.179 78 N HN 0.613 nan 8.380 nan 0.000 0.476 79 Q N -0.868 118.791 119.800 -0.235 0.000 2.436 79 Q HA 0.154 4.494 4.340 0.000 0.000 0.209 79 Q C 0.803 176.746 176.000 -0.095 0.000 0.965 79 Q CA 1.120 56.850 55.803 -0.121 0.000 0.910 79 Q CB 0.212 28.900 28.738 -0.083 0.000 0.980 79 Q HN 0.703 nan 8.270 nan 0.000 0.491 80 A N -0.700 122.030 122.820 -0.149 0.000 2.701 80 A HA 0.358 4.678 4.320 0.000 0.000 0.241 80 A C 0.551 178.098 177.584 -0.063 0.000 1.231 80 A CA 0.133 52.144 52.037 -0.042 0.000 1.003 80 A CB 0.876 19.897 19.000 0.036 0.000 1.281 80 A HN 0.179 nan 8.150 nan 0.000 0.600 81 G N -0.052 108.641 108.800 -0.178 0.000 2.588 81 G HA2 0.533 4.493 3.960 0.000 0.000 0.312 81 G HA3 0.533 4.493 3.960 0.000 0.000 0.312 81 G C -1.456 173.412 174.900 -0.054 0.000 1.257 81 G CA -0.361 44.665 45.100 -0.124 0.000 0.994 81 G HN 0.729 nan 8.290 nan 0.000 0.498 82 V N 4.977 124.887 119.914 -0.007 0.000 2.663 82 V HA 0.383 4.503 4.120 0.000 0.000 0.286 82 V C -2.452 173.644 176.094 0.003 0.000 1.085 82 V CA -1.365 60.938 62.300 0.005 0.000 0.916 82 V CB 2.541 34.364 31.823 0.000 0.000 1.039 82 V HN 0.643 nan 8.190 nan 0.000 0.453 83 P HA 0.289 nan 4.420 nan 0.000 0.267 83 P C -0.892 176.396 177.300 -0.020 0.000 1.205 83 P CA -0.092 62.996 63.100 -0.021 0.000 0.765 83 P CB 0.387 32.079 31.700 -0.012 0.000 0.828 84 D N 1.982 122.363 120.400 -0.032 0.000 2.367 84 D HA 0.236 4.876 4.640 0.000 0.000 0.255 84 D C -0.517 175.773 176.300 -0.017 0.000 1.300 84 D CA 0.564 54.553 54.000 -0.019 0.000 0.959 84 D CB -0.005 40.785 40.800 -0.017 0.000 1.064 84 D HN -0.036 nan 8.370 nan 0.000 0.509 85 V N 3.001 122.910 119.914 -0.009 0.000 2.817 85 V HA 0.094 4.214 4.120 0.000 0.000 0.303 85 V C -0.015 176.077 176.094 -0.002 0.000 1.151 85 V CA -0.670 61.627 62.300 -0.006 0.000 0.929 85 V CB 2.343 34.163 31.823 -0.005 0.000 1.030 85 V HN 0.202 nan 8.190 nan 0.000 0.427 86 D N 3.831 124.231 120.400 -0.001 0.000 2.103 86 D HA 0.294 4.934 4.640 0.000 0.000 0.199 86 D C 0.543 176.843 176.300 -0.000 0.000 0.978 86 D CA 1.946 55.946 54.000 -0.001 0.000 0.829 86 D CB 0.295 41.094 40.800 -0.001 0.000 0.981 86 D HN 0.900 nan 8.370 nan 0.000 0.464 87 A N -0.421 122.399 122.820 0.001 0.000 2.574 87 A HA 0.681 5.001 4.320 0.000 0.000 0.297 87 A C -1.492 176.095 177.584 0.005 0.000 1.062 87 A CA -0.590 51.448 52.037 0.002 0.000 0.686 87 A CB 1.311 20.312 19.000 0.001 0.000 1.285 87 A HN 0.043 nan 8.150 nan 0.000 0.403 88 I N 2.368 122.943 120.570 0.008 0.000 2.503 88 I HA 0.276 4.446 4.170 0.000 0.000 0.282 88 I C -1.377 174.749 176.117 0.015 0.000 1.059 88 I CA -0.590 60.718 61.300 0.015 0.000 1.081 88 I CB 1.911 39.922 38.000 0.019 0.000 1.210 88 I HN 0.484 nan 8.210 nan 0.000 0.450 89 D N 4.520 124.931 120.400 0.018 0.000 2.225 89 D HA 0.493 5.133 4.640 0.000 0.000 0.249 89 D C 1.109 177.426 176.300 0.029 0.000 1.052 89 D CA 0.270 54.281 54.000 0.019 0.000 0.909 89 D CB 1.931 42.742 40.800 0.018 0.000 1.186 89 D HN 0.848 nan 8.370 nan 0.000 0.431 90 G N 0.808 109.621 108.800 0.021 0.000 2.157 90 G HA2 -0.229 3.731 3.960 0.000 0.000 0.248 90 G HA3 -0.229 3.731 3.960 0.000 0.000 0.248 90 G C 0.027 174.932 174.900 0.008 0.000 0.979 90 G CA -0.329 44.782 45.100 0.018 0.000 0.650 90 G HN 0.463 nan 8.290 nan 0.000 0.529 91 L N 2.296 123.523 121.223 0.007 0.000 2.265 91 L HA 0.483 4.823 4.340 0.000 0.000 0.288 91 L C -1.165 175.677 176.870 -0.047 0.000 1.058 91 L CA -1.438 53.400 54.840 -0.004 0.000 0.809 91 L CB 1.120 43.186 42.059 0.011 0.000 1.179 91 L HN 0.103 nan 8.230 nan 0.000 0.429 92 P HA 0.528 nan 4.420 nan 0.000 0.284 92 P C -2.738 174.460 177.300 -0.171 0.000 1.287 92 P CA -1.985 61.039 63.100 -0.127 0.000 0.824 92 P CB -0.131 31.470 31.700 -0.166 0.000 1.180 93 P HA 0.194 nan 4.420 nan 0.000 0.266 93 P C -0.771 176.339 177.300 -0.317 0.000 1.193 93 P CA 0.397 63.326 63.100 -0.285 0.000 0.770 93 P CB 0.020 31.500 31.700 -0.368 0.000 0.836 94 A N 2.473 125.110 122.820 -0.304 0.000 2.350 94 A HA 0.637 4.957 4.320 0.000 0.000 0.324 94 A C -0.976 176.536 177.584 -0.120 0.000 1.118 94 A CA -0.571 51.333 52.037 -0.223 0.000 0.783 94 A CB 1.152 20.069 19.000 -0.138 0.000 1.236 94 A HN 0.318 nan 8.150 nan 0.000 0.457 95 V N 1.498 121.345 119.914 -0.111 0.000 2.444 95 V HA 0.634 4.754 4.120 0.000 0.000 0.294 95 V C 0.397 176.554 176.094 0.104 0.000 1.022 95 V CA -0.446 61.864 62.300 0.016 0.000 0.850 95 V CB 1.347 33.102 31.823 -0.114 0.000 0.992 95 V HN 1.196 nan 8.190 nan 0.000 0.426 96 A N 5.181 128.038 122.820 0.062 0.000 2.276 96 A HA 0.702 5.022 4.320 0.000 0.000 0.300 96 A C 0.392 177.983 177.584 0.012 0.000 1.235 96 A CA -0.365 51.599 52.037 -0.120 0.000 0.867 96 A CB 0.367 19.051 19.000 -0.527 0.000 1.137 96 A HN 0.914 nan 8.150 nan 0.000 0.527 97 L N 1.361 122.618 121.223 0.056 0.000 2.653 97 L HA 0.223 4.563 4.340 0.000 0.000 0.232 97 L C 0.689 177.572 176.870 0.022 0.000 1.169 97 L CA 0.387 55.250 54.840 0.038 0.000 0.951 97 L CB -0.305 41.764 42.059 0.018 0.000 1.181 97 L HN 0.852 nan 8.230 nan 0.000 0.460 98 Q N 1.239 121.053 119.800 0.024 0.000 2.268 98 Q HA 0.203 4.543 4.340 0.000 0.000 0.266 98 Q C -0.672 175.292 176.000 -0.060 0.000 1.006 98 Q CA -0.580 55.211 55.803 -0.021 0.000 0.824 98 Q CB 1.773 30.488 28.738 -0.038 0.000 1.306 98 Q HN 0.226 nan 8.270 nan 0.000 0.424 99 Q N 2.346 122.112 119.800 -0.056 0.000 2.492 99 Q HA 0.412 4.752 4.340 0.000 0.000 0.238 99 Q C -0.380 175.567 176.000 -0.088 0.000 1.045 99 Q CA 0.285 56.056 55.803 -0.053 0.000 0.934 99 Q CB 0.749 29.473 28.738 -0.024 0.000 1.276 99 Q HN 0.674 nan 8.270 nan 0.000 0.521 100 A N 1.647 124.436 122.820 -0.052 0.000 2.504 100 A HA -0.075 4.245 4.320 0.000 0.000 0.242 100 A C 1.093 178.634 177.584 -0.072 0.000 1.100 100 A CA 0.607 52.613 52.037 -0.051 0.000 0.786 100 A CB 0.044 19.061 19.000 0.028 0.000 1.050 100 A HN 0.989 nan 8.150 nan 0.000 0.512 101 R N 0.460 120.912 120.500 -0.081 0.000 2.082 101 R HA -0.102 4.238 4.340 0.000 0.000 0.234 101 R C 1.738 178.002 176.300 -0.059 0.000 1.136 101 R CA 2.272 58.317 56.100 -0.091 0.000 0.935 101 R CB -0.549 29.695 30.300 -0.094 0.000 0.842 101 R HN 0.813 nan 8.270 nan 0.000 0.430 102 G N -0.774 108.010 108.800 -0.027 0.000 3.609 102 G HA2 0.122 4.082 3.960 0.000 0.000 0.280 102 G HA3 0.122 4.082 3.960 0.000 0.000 0.280 102 G C -0.654 174.270 174.900 0.040 0.000 1.155 102 G CA -0.243 44.855 45.100 -0.003 0.000 0.876 102 G HN 0.208 nan 8.290 nan 0.000 0.535 103 T N 2.245 116.810 114.554 0.019 0.000 2.882 103 T HA 0.455 4.805 4.350 0.000 0.000 0.287 103 T C -2.556 172.151 174.700 0.013 0.000 0.992 103 T CA -1.093 61.020 62.100 0.021 0.000 1.076 103 T CB 1.926 70.802 68.868 0.013 0.000 0.961 103 T HN -0.055 nan 8.240 nan 0.000 0.490 104 P HA 0.243 nan 4.420 nan 0.000 0.282 104 P C -0.199 177.105 177.300 0.007 0.000 1.262 104 P CA -0.514 62.594 63.100 0.013 0.000 0.773 104 P CB -0.071 31.639 31.700 0.017 0.000 0.879 105 T N 2.425 116.981 114.554 0.003 0.000 2.777 105 T HA 0.125 4.475 4.350 0.000 0.000 0.273 105 T C 0.777 175.480 174.700 0.006 0.000 1.016 105 T CA 0.101 62.203 62.100 0.003 0.000 1.156 105 T CB -0.124 68.745 68.868 0.003 0.000 1.019 105 T HN 0.523 nan 8.240 nan 0.000 0.503 106 A N 4.747 127.570 122.820 0.006 0.000 2.462 106 A HA 0.306 4.626 4.320 0.000 0.000 0.243 106 A C 0.815 178.404 177.584 0.009 0.000 1.076 106 A CA -0.485 51.556 52.037 0.007 0.000 0.773 106 A CB 0.293 19.297 19.000 0.007 0.000 1.010 106 A HN 0.691 nan 8.150 nan 0.000 0.493 107 R N 1.719 122.225 120.500 0.010 0.000 2.370 107 R HA 0.401 4.741 4.340 0.000 0.000 0.309 107 R C -0.358 175.949 176.300 0.012 0.000 1.059 107 R CA 0.447 56.554 56.100 0.012 0.000 0.981 107 R CB 0.402 30.710 30.300 0.014 0.000 0.972 107 R HN 0.815 nan 8.270 nan 0.000 0.437 108 S N 0.075 115.782 115.700 0.012 0.000 2.757 108 S HA 0.483 4.953 4.470 0.000 0.000 0.285 108 S C -1.050 173.556 174.600 0.010 0.000 1.196 108 S CA -0.679 57.528 58.200 0.011 0.000 0.856 108 S CB 1.727 64.932 63.200 0.009 0.000 1.212 108 S HN 0.649 nan 8.310 nan 0.000 0.516 109 S N -0.410 115.295 115.700 0.008 0.000 2.667 109 S HA 0.638 5.108 4.470 0.000 0.000 0.292 109 S C 0.731 175.331 174.600 0.001 0.000 1.126 109 S CA -0.656 57.547 58.200 0.005 0.000 0.881 109 S CB 0.883 64.086 63.200 0.005 0.000 1.132 109 S HN 0.344 nan 8.310 nan 0.000 0.492 110 V N 1.585 121.496 119.914 -0.005 0.000 2.332 110 V HA -0.063 4.057 4.120 0.000 0.000 0.248 110 V C 2.784 178.875 176.094 -0.005 0.000 1.055 110 V CA 2.550 64.843 62.300 -0.012 0.000 1.038 110 V CB -1.649 30.157 31.823 -0.028 0.000 0.651 110 V HN 1.076 nan 8.190 nan 0.000 0.450 111 G N 0.198 108.994 108.800 -0.006 0.000 2.469 111 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 111 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 111 G C 1.745 176.649 174.900 0.005 0.000 1.136 111 G CA 1.543 46.640 45.100 -0.004 0.000 0.759 111 G HN 0.633 nan 8.290 nan 0.000 0.562 112 S N 0.138 115.843 115.700 0.008 0.000 2.356 112 S HA 0.001 4.471 4.470 0.000 0.000 0.219 112 S C 2.274 176.887 174.600 0.021 0.000 1.036 112 S CA 0.786 58.995 58.200 0.015 0.000 0.965 112 S CB -0.508 62.700 63.200 0.014 0.000 0.864 112 S HN 0.102 nan 8.310 nan 0.000 0.471 113 V N 3.431 123.354 119.914 0.015 0.000 2.277 113 V HA -0.264 3.856 4.120 0.000 0.000 0.253 113 V C 3.057 179.167 176.094 0.026 0.000 1.067 113 V CA 2.419 64.727 62.300 0.013 0.000 1.047 113 V CB -1.734 30.090 31.823 0.001 0.000 0.649 113 V HN 0.862 nan 8.190 nan 0.000 0.447 114 T N -3.051 111.527 114.554 0.041 0.000 3.118 114 T HA -0.063 4.287 4.350 0.000 0.000 0.260 114 T C 1.285 176.077 174.700 0.153 0.000 1.139 114 T CA 1.529 63.688 62.100 0.098 0.000 1.085 114 T CB -0.278 68.645 68.868 0.092 0.000 0.934 114 T HN 1.017 nan 8.240 nan 0.000 0.518 115 T N -0.829 113.777 114.554 0.087 0.000 6.974 115 T HA -0.249 4.101 4.350 0.000 0.000 0.287 115 T C 0.963 175.680 174.700 0.027 0.000 2.146 115 T CA 1.121 63.262 62.100 0.068 0.000 3.451 115 T CB -2.622 66.306 68.868 0.100 0.000 1.630 115 T HN 0.519 nan 8.240 nan 0.000 1.173 116 L N 0.413 121.646 121.223 0.016 0.000 2.109 116 L HA 0.016 4.356 4.340 0.000 0.000 0.207 116 L C 2.961 179.810 176.870 -0.034 0.000 1.086 116 L CA 1.589 56.414 54.840 -0.025 0.000 0.760 116 L CB -0.688 41.355 42.059 -0.027 0.000 0.910 116 L HN 0.395 nan 8.230 nan 0.000 0.437 117 S N 0.367 116.054 115.700 -0.022 0.000 2.374 117 S HA -0.244 4.226 4.470 0.000 0.000 0.227 117 S C 1.745 176.326 174.600 -0.033 0.000 1.037 117 S CA 2.058 60.240 58.200 -0.030 0.000 1.024 117 S CB -0.364 62.827 63.200 -0.015 0.000 0.861 117 S HN 0.464 nan 8.310 nan 0.000 0.456 118 N N 1.053 119.745 118.700 -0.015 0.000 2.244 118 N HA 0.031 4.771 4.740 0.000 0.000 0.183 118 N C 1.505 177.000 175.510 -0.025 0.000 1.016 118 N CA 0.931 53.977 53.050 -0.006 0.000 0.866 118 N CB -0.300 38.193 38.487 0.010 0.000 0.980 118 N HN 0.358 nan 8.380 nan 0.000 0.430 119 L N -0.195 121.002 121.223 -0.042 0.000 2.141 119 L HA -0.098 4.242 4.340 0.000 0.000 0.209 119 L C 1.673 178.491 176.870 -0.087 0.000 1.094 119 L CA 0.632 55.434 54.840 -0.063 0.000 0.763 119 L CB -0.524 41.487 42.059 -0.080 0.000 0.908 119 L HN 0.317 nan 8.230 nan 0.000 0.437 120 L N -2.883 118.284 121.223 -0.092 0.000 2.446 120 L HA 0.093 4.433 4.340 0.000 0.000 0.219 120 L C 2.211 178.997 176.870 -0.140 0.000 1.116 120 L CA 0.952 55.730 54.840 -0.105 0.000 0.844 120 L CB -0.991 41.017 42.059 -0.085 0.000 0.970 120 L HN -0.048 nan 8.230 nan 0.000 0.457 121 R N -0.307 120.101 120.500 -0.153 0.000 2.092 121 R HA 0.035 4.375 4.340 0.000 0.000 0.231 121 R C 2.130 178.325 176.300 -0.175 0.000 1.119 121 R CA 1.859 57.834 56.100 -0.209 0.000 0.970 121 R CB -0.410 29.888 30.300 -0.002 0.000 0.864 121 R HN 0.390 nan 8.270 nan 0.000 0.440 122 M N 0.177 119.728 119.600 -0.080 0.000 2.156 122 M HA -0.117 4.363 4.480 0.000 0.000 0.264 122 M C 2.261 178.510 176.300 -0.086 0.000 1.067 122 M CA 1.309 56.586 55.300 -0.039 0.000 1.131 122 M CB -0.129 32.459 32.600 -0.021 0.000 1.368 122 M HN 0.184 nan 8.290 nan 0.000 0.416 123 L N -0.891 120.250 121.223 -0.137 0.000 2.012 123 L HA -0.260 4.080 4.340 0.000 0.000 0.210 123 L C 2.222 178.936 176.870 -0.259 0.000 1.073 123 L CA 1.681 56.394 54.840 -0.213 0.000 0.748 123 L CB -0.324 41.556 42.059 -0.298 0.000 0.891 123 L HN 0.191 nan 8.230 nan 0.000 0.431 124 Y N -0.801 119.209 120.300 -0.484 0.000 2.242 124 Y HA -0.248 4.302 4.550 -0.000 0.000 0.291 124 Y C 3.064 178.717 175.900 -0.412 0.000 1.137 124 Y CA 1.636 59.373 58.100 -0.604 0.000 1.181 124 Y CB -0.582 37.208 38.460 -1.117 0.000 0.989 124 Y HN 0.276 nan 8.280 nan 0.000 0.527 125 S N -0.303 115.302 115.700 -0.158 0.000 2.348 125 S HA -0.203 4.266 4.470 0.000 0.000 0.221 125 S C 2.114 176.827 174.600 0.189 0.000 1.033 125 S CA 1.742 60.054 58.200 0.187 0.000 1.010 125 S CB -0.015 63.310 63.200 0.208 0.000 0.891 125 S HN 0.344 nan 8.310 nan 0.000 0.442 126 R N 0.616 121.154 120.500 0.063 0.000 2.105 126 R HA 0.474 4.814 4.340 0.000 0.000 0.214 126 R C 0.916 177.235 176.300 0.031 0.000 1.091 126 R CA 0.863 56.988 56.100 0.042 0.000 1.007 126 R CB -0.236 30.069 30.300 0.008 0.000 0.912 126 R HN 0.403 nan 8.270 nan 0.000 0.450 127 A N -0.309 122.493 122.820 -0.030 0.000 2.326 127 A HA 0.748 5.068 4.320 0.000 0.000 0.303 127 A C -0.056 177.493 177.584 -0.058 0.000 1.164 127 A CA -0.210 51.795 52.037 -0.054 0.000 0.929 127 A CB 0.336 19.247 19.000 -0.147 0.000 1.363 127 A HN 0.347 nan 8.150 nan 0.000 0.498 128 G N -0.361 108.403 108.800 -0.060 0.000 2.675 128 G HA2 0.119 4.079 3.960 0.000 0.000 0.686 128 G HA3 0.119 4.079 3.960 0.000 0.000 0.686 128 G C -1.320 173.592 174.900 0.020 0.000 1.215 128 G CA -0.304 44.731 45.100 -0.108 0.000 0.777 128 G HN 0.791 nan 8.290 nan 0.000 0.638 129 D N 0.867 121.246 120.400 -0.035 0.000 2.347 129 D HA 0.463 5.103 4.640 0.000 0.000 0.235 129 D C -0.112 176.203 176.300 0.024 0.000 1.149 129 D CA 0.321 54.345 54.000 0.040 0.000 0.850 129 D CB 0.714 41.517 40.800 0.006 0.000 1.061 129 D HN 0.303 nan 8.370 nan 0.000 0.487 130 Y N 1.631 121.947 120.300 0.027 0.000 2.334 130 Y HA 0.279 4.829 4.550 -0.000 0.000 0.328 130 Y C -1.619 174.296 175.900 0.025 0.000 1.130 130 Y CA -2.260 55.862 58.100 0.038 0.000 1.163 130 Y CB 0.654 39.132 38.460 0.029 0.000 1.207 130 Y HN 0.150 nan 8.280 nan 0.000 0.471 131 P HA 0.045 nan 4.420 nan 0.000 0.264 131 P C -2.236 175.133 177.300 0.116 0.000 1.193 131 P CA -0.922 62.243 63.100 0.108 0.000 0.763 131 P CB 0.243 31.990 31.700 0.079 0.000 0.810 132 P HA 0.035 nan 4.420 nan 0.000 0.274 132 P C 0.849 178.170 177.300 0.034 0.000 1.370 132 P CA 0.901 64.032 63.100 0.051 0.000 0.760 132 P CB -0.233 31.488 31.700 0.035 0.000 1.308 133 G N -1.412 107.414 108.800 0.043 0.000 3.581 133 G HA2 0.044 4.004 3.960 0.000 0.000 0.248 133 G HA3 0.044 4.004 3.960 0.000 0.000 0.248 133 G C 0.087 175.005 174.900 0.030 0.000 1.037 133 G CA -0.015 45.102 45.100 0.028 0.000 0.902 133 G HN 0.381 nan 8.290 nan 0.000 0.512 134 Q N 0.417 120.251 119.800 0.056 0.000 2.257 134 Q HA 0.692 5.032 4.340 0.000 0.000 0.262 134 Q C 0.295 176.307 176.000 0.021 0.000 0.997 134 Q CA -0.515 55.328 55.803 0.067 0.000 0.873 134 Q CB 1.805 30.616 28.738 0.123 0.000 1.312 134 Q HN 0.041 nan 8.270 nan 0.000 0.450 135 G N 1.834 110.627 108.800 -0.012 0.000 2.532 135 G HA2 0.351 4.311 3.960 0.000 0.000 0.291 135 G HA3 0.351 4.311 3.960 0.000 0.000 0.291 135 G C -0.703 174.105 174.900 -0.153 0.000 1.349 135 G CA -1.146 43.883 45.100 -0.118 0.000 1.038 135 G HN 0.810 nan 8.290 nan 0.000 0.518 136 I N -0.018 120.391 120.570 -0.269 0.000 2.775 136 I HA 0.120 4.290 4.170 0.000 0.000 0.290 136 I C -0.108 175.911 176.117 -0.163 0.000 1.203 136 I CA -0.011 61.130 61.300 -0.266 0.000 1.433 136 I CB 0.642 38.395 38.000 -0.411 0.000 1.354 136 I HN 0.002 nan 8.210 nan 0.000 0.579 137 V N 8.556 128.532 119.914 0.102 0.000 2.427 137 V HA 0.240 4.360 4.120 0.000 0.000 0.286 137 V C -0.311 175.806 176.094 0.038 0.000 1.034 137 V CA -0.434 61.864 62.300 -0.003 0.000 0.893 137 V CB 1.027 32.773 31.823 -0.128 0.000 0.982 137 V HN 0.494 nan 8.190 nan 0.000 0.452 138 Y N 2.140 122.535 120.300 0.158 0.000 2.260 138 Y HA 0.390 4.940 4.550 -0.000 0.000 0.339 138 Y C 1.683 177.747 175.900 0.274 0.000 1.317 138 Y CA 0.347 58.558 58.100 0.186 0.000 1.514 138 Y CB 0.485 39.006 38.460 0.101 0.000 1.382 138 Y HN 0.639 nan 8.280 nan 0.000 0.581 139 A N 0.478 123.544 122.820 0.411 0.000 1.940 139 A HA -0.201 4.119 4.320 0.000 0.000 0.219 139 A C 1.933 179.697 177.584 0.300 0.000 1.176 139 A CA 1.886 54.126 52.037 0.339 0.000 0.631 139 A CB -0.755 18.360 19.000 0.192 0.000 0.814 139 A HN 0.845 nan 8.150 nan 0.000 0.446 140 E N -0.142 120.186 120.200 0.212 0.000 2.268 140 E HA -0.078 4.272 4.350 0.000 0.000 0.195 140 E C 1.729 178.384 176.600 0.092 0.000 0.995 140 E CA 1.122 57.600 56.400 0.131 0.000 0.836 140 E CB -0.856 28.895 29.700 0.085 0.000 0.763 140 E HN 0.458 nan 8.360 nan 0.000 0.491 141 G N -0.025 108.815 108.800 0.066 0.000 2.679 141 G HA2 -0.105 3.855 3.960 0.000 0.000 0.212 141 G HA3 -0.105 3.855 3.960 0.000 0.000 0.212 141 G C 0.778 175.488 174.900 -0.317 0.000 1.137 141 G CA 0.001 45.017 45.100 -0.140 0.000 0.787 141 G HN 0.229 nan 8.290 nan 0.000 0.534 142 F N 1.145 121.100 119.950 0.008 0.000 2.678 142 F HA 0.242 4.769 4.527 0.000 0.000 0.305 142 F C 1.333 177.104 175.800 -0.049 0.000 1.090 142 F CA -0.339 57.634 58.000 -0.045 0.000 1.272 142 F CB 0.613 39.565 39.000 -0.081 0.000 1.060 142 F HN 0.037 nan 8.300 nan 0.000 0.576 143 S N 1.059 116.822 115.700 0.106 0.000 2.508 143 S HA 0.342 4.812 4.470 0.000 0.000 0.284 143 S C -1.950 172.670 174.600 0.034 0.000 1.192 143 S CA -1.382 56.855 58.200 0.061 0.000 1.070 143 S CB 1.624 64.858 63.200 0.057 0.000 1.004 143 S HN -0.076 nan 8.310 nan 0.000 0.493 144 P HA 0.162 nan 4.420 nan 0.000 0.249 144 P C -0.154 177.166 177.300 0.032 0.000 1.229 144 P CA 0.164 63.280 63.100 0.026 0.000 0.788 144 P CB -0.101 31.613 31.700 0.024 0.000 1.072 145 N N 0.029 118.747 118.700 0.030 0.000 2.235 145 N HA 0.059 4.799 4.740 0.000 0.000 0.209 145 N C 0.384 175.910 175.510 0.026 0.000 1.122 145 N CA 0.391 53.458 53.050 0.028 0.000 0.845 145 N CB 0.347 38.849 38.487 0.025 0.000 1.004 145 N HN 0.253 nan 8.380 nan 0.000 0.499 146 T N -3.020 111.551 114.554 0.028 0.000 2.907 146 T HA 0.395 4.745 4.350 0.000 0.000 0.292 146 T C -2.062 172.653 174.700 0.026 0.000 1.043 146 T CA -1.742 60.373 62.100 0.024 0.000 1.003 146 T CB 3.016 71.900 68.868 0.026 0.000 1.084 146 T HN -0.286 nan 8.240 nan 0.000 0.483 147 P HA -0.142 nan 4.420 nan 0.000 0.218 147 P C 1.194 178.509 177.300 0.025 0.000 1.148 147 P CA 1.207 64.323 63.100 0.026 0.000 0.822 147 P CB 0.169 31.879 31.700 0.017 0.000 0.784 148 E N -0.367 119.844 120.200 0.020 0.000 2.150 148 E HA -0.060 4.290 4.350 0.000 0.000 0.193 148 E C 2.188 178.783 176.600 -0.007 0.000 0.985 148 E CA 1.612 58.022 56.400 0.016 0.000 0.814 148 E CB -0.994 28.723 29.700 0.029 0.000 0.752 148 E HN 0.358 nan 8.360 nan 0.000 0.466 149 G N 1.046 109.843 108.800 -0.006 0.000 2.743 149 G HA2 0.289 4.249 3.960 0.000 0.000 0.206 149 G HA3 0.289 4.249 3.960 0.000 0.000 0.206 149 G C 0.714 175.604 174.900 -0.017 0.000 1.115 149 G CA 0.252 45.331 45.100 -0.034 0.000 0.782 149 G HN 0.352 nan 8.290 nan 0.000 0.524 150 A N 0.429 123.258 122.820 0.014 0.000 2.488 150 A HA 0.389 4.709 4.320 0.000 0.000 0.249 150 A C 0.834 178.436 177.584 0.029 0.000 1.083 150 A CA -0.234 51.823 52.037 0.033 0.000 0.768 150 A CB -0.298 18.742 19.000 0.067 0.000 1.017 150 A HN 0.720 nan 8.150 nan 0.000 0.496 151 C N 6.575 125.881 119.300 0.011 0.000 2.590 151 C HA 0.202 4.662 4.460 0.000 0.000 0.411 151 C C -0.178 174.792 174.990 -0.034 0.000 1.420 151 C CA -0.819 58.192 59.018 -0.013 0.000 1.643 151 C CB -0.256 27.470 27.740 -0.023 0.000 2.528 151 C HN 0.790 nan 8.230 nan 0.000 0.606 152 P HA -0.219 nan 4.420 nan 0.000 0.216 152 P C 1.184 178.337 177.300 -0.245 0.000 1.157 152 P CA 2.613 65.680 63.100 -0.054 0.000 0.880 152 P CB -0.065 31.622 31.700 -0.022 0.000 0.791 153 E N -0.164 119.905 120.200 -0.218 0.000 2.112 153 E HA -0.110 4.240 4.350 0.000 0.000 0.190 153 E C 2.115 178.486 176.600 -0.382 0.000 0.979 153 E CA 1.456 57.690 56.400 -0.277 0.000 0.814 153 E CB -1.050 28.566 29.700 -0.140 0.000 0.762 153 E HN 0.351 nan 8.360 nan 0.000 0.460 154 C N -0.999 118.140 119.300 -0.267 0.000 2.780 154 C HA 0.357 4.817 4.460 0.000 0.000 0.267 154 C C 0.443 175.384 174.990 -0.082 0.000 1.266 154 C CA 0.007 58.937 59.018 -0.148 0.000 1.709 154 C CB -1.404 26.296 27.740 -0.066 0.000 1.975 154 C HN 0.554 nan 8.230 nan 0.000 0.582 155 H N 0.783 119.869 119.070 0.027 0.000 2.820 155 H HA -0.037 4.519 4.556 -0.000 0.000 0.295 155 H C 1.420 176.762 175.328 0.023 0.000 1.187 155 H CA 1.104 57.168 56.048 0.026 0.000 1.144 155 H CB -1.611 28.172 29.762 0.033 0.000 1.354 155 H HN 1.113 nan 8.280 nan 0.000 0.395 156 G N -1.032 107.814 108.800 0.076 0.000 2.157 156 G HA2 -0.337 3.623 3.960 0.000 0.000 0.239 156 G HA3 -0.337 3.623 3.960 0.000 0.000 0.239 156 G C 0.914 175.843 174.900 0.049 0.000 0.982 156 G CA 0.361 45.494 45.100 0.055 0.000 0.650 156 G HN 0.440 nan 8.290 nan 0.000 0.527 157 L N -0.111 121.145 121.223 0.054 0.000 2.270 157 L HA 0.410 4.750 4.340 0.000 0.000 0.210 157 L C 2.527 179.408 176.870 0.018 0.000 1.104 157 L CA 1.569 56.438 54.840 0.048 0.000 0.804 157 L CB -0.072 42.032 42.059 0.075 0.000 0.937 157 L HN 1.084 nan 8.230 nan 0.000 0.450 158 G N -0.472 108.328 108.800 -0.000 0.000 2.225 158 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 158 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 158 G C 0.453 175.325 174.900 -0.046 0.000 0.988 158 G CA -0.185 44.906 45.100 -0.016 0.000 0.625 158 G HN 0.190 nan 8.290 nan 0.000 0.527 159 R N -0.420 120.046 120.500 -0.057 0.000 2.740 159 R HA 0.725 5.065 4.340 0.000 0.000 0.282 159 R C -1.070 175.145 176.300 -0.142 0.000 0.969 159 R CA -0.556 55.469 56.100 -0.124 0.000 0.918 159 R CB 2.471 32.681 30.300 -0.151 0.000 1.175 159 R HN 0.163 nan 8.270 nan 0.000 0.464 160 V N 3.097 122.880 119.914 -0.217 0.000 2.789 160 V HA 0.414 4.534 4.120 0.000 0.000 0.311 160 V C -1.252 174.660 176.094 -0.302 0.000 1.073 160 V CA -0.800 61.396 62.300 -0.173 0.000 0.921 160 V CB 2.272 34.035 31.823 -0.101 0.000 1.009 160 V HN 0.593 nan 8.190 nan 0.000 0.426 161 Y N 2.340 122.600 120.300 -0.067 0.000 2.323 161 Y HA 0.619 5.169 4.550 0.000 0.000 0.331 161 Y C 0.853 176.710 175.900 -0.073 0.000 1.092 161 Y CA -0.233 57.804 58.100 -0.105 0.000 1.150 161 Y CB 2.030 40.363 38.460 -0.213 0.000 1.200 161 Y HN 0.747 nan 8.280 nan 0.000 0.472 162 T N -0.254 114.353 114.554 0.089 0.000 2.888 162 T HA 0.829 5.179 4.350 0.000 0.000 0.288 162 T C -0.650 174.099 174.700 0.081 0.000 1.063 162 T CA -0.858 61.285 62.100 0.072 0.000 1.010 162 T CB 1.238 70.132 68.868 0.043 0.000 1.214 162 T HN 0.560 nan 8.240 nan 0.000 0.533 163 V N -2.191 117.785 119.914 0.103 0.000 3.046 163 V HA 0.972 5.092 4.120 0.000 0.000 0.316 163 V C -0.309 175.896 176.094 0.186 0.000 1.104 163 V CA -0.588 61.773 62.300 0.101 0.000 1.006 163 V CB 1.422 33.275 31.823 0.049 0.000 1.058 163 V HN 1.256 nan 8.190 nan 0.000 0.440 164 T N -0.212 114.426 114.554 0.141 0.000 2.816 164 T HA 0.335 4.685 4.350 0.000 0.000 0.299 164 T C 0.504 175.270 174.700 0.110 0.000 1.230 164 T CA 0.316 62.551 62.100 0.224 0.000 1.007 164 T CB 2.134 71.089 68.868 0.145 0.000 1.289 164 T HN 1.074 nan 8.240 nan 0.000 0.508 165 E N 0.524 120.843 120.200 0.199 0.000 2.160 165 E HA -0.186 4.164 4.350 0.000 0.000 0.195 165 E C 1.124 177.722 176.600 -0.003 0.000 0.991 165 E CA 2.007 58.453 56.400 0.076 0.000 0.810 165 E CB 0.060 29.899 29.700 0.232 0.000 0.742 165 E HN 0.584 nan 8.360 nan 0.000 0.466 166 D N -0.707 119.717 120.400 0.040 0.000 2.194 166 D HA -0.089 4.551 4.640 0.000 0.000 0.204 166 D C 1.985 178.285 176.300 0.001 0.000 0.964 166 D CA 1.404 55.415 54.000 0.018 0.000 0.846 166 D CB -0.094 40.731 40.800 0.042 0.000 0.962 166 D HN 0.204 nan 8.370 nan 0.000 0.490 167 S N -0.937 114.772 115.700 0.016 0.000 2.446 167 S HA -0.021 4.449 4.470 0.000 0.000 0.225 167 S C 2.027 176.681 174.600 0.090 0.000 1.016 167 S CA 0.390 58.617 58.200 0.046 0.000 0.943 167 S CB -0.299 62.933 63.200 0.054 0.000 0.786 167 S HN 0.230 nan 8.310 nan 0.000 0.508 168 M N 0.953 120.517 119.600 -0.059 0.000 2.394 168 M HA 0.222 4.702 4.480 0.000 0.000 0.266 168 M C -0.292 175.796 176.300 -0.354 0.000 1.098 168 M CA 0.570 55.731 55.300 -0.233 0.000 1.149 168 M CB 0.519 32.891 32.600 -0.380 0.000 1.369 168 M HN 0.096 nan 8.290 nan 0.000 0.450 169 V N 1.086 120.804 119.914 -0.327 0.000 2.315 169 V HA 0.175 4.295 4.120 0.000 0.000 0.265 169 V C -2.026 173.942 176.094 -0.210 0.000 1.019 169 V CA -0.957 61.096 62.300 -0.413 0.000 0.824 169 V CB 0.443 31.810 31.823 -0.760 0.000 1.072 169 V HN 0.056 nan 8.190 nan 0.000 0.448 170 P HA -0.094 nan 4.420 nan 0.000 0.215 170 P C 0.370 177.643 177.300 -0.045 0.000 1.157 170 P CA 1.237 64.308 63.100 -0.047 0.000 0.868 170 P CB 0.297 31.989 31.700 -0.012 0.000 0.788 171 D N -1.864 118.499 120.400 -0.061 0.000 2.460 171 D HA 0.173 4.813 4.640 0.000 0.000 0.232 171 D C -2.003 174.272 176.300 -0.040 0.000 1.079 171 D CA -2.469 51.513 54.000 -0.031 0.000 0.864 171 D CB 0.777 41.567 40.800 -0.017 0.000 1.048 171 D HN -0.073 nan 8.370 nan 0.000 0.523 172 P HA -0.078 nan 4.420 nan 0.000 0.226 172 P C 1.306 178.696 177.300 0.150 0.000 1.153 172 P CA 0.614 63.780 63.100 0.110 0.000 0.777 172 P CB 0.231 32.037 31.700 0.177 0.000 0.794 173 S N -1.082 114.671 115.700 0.088 0.000 2.399 173 S HA -0.094 4.376 4.470 0.000 0.000 0.231 173 S C 0.964 175.614 174.600 0.083 0.000 1.022 173 S CA 0.476 58.724 58.200 0.080 0.000 0.983 173 S CB -1.353 61.877 63.200 0.051 0.000 0.803 173 S HN -0.056 nan 8.310 nan 0.000 0.480 174 L N 2.211 123.475 121.223 0.067 0.000 2.499 174 L HA 0.261 4.601 4.340 0.000 0.000 0.281 174 L C 0.948 177.886 176.870 0.114 0.000 1.234 174 L CA 0.823 55.700 54.840 0.062 0.000 0.839 174 L CB -0.069 42.000 42.059 0.017 0.000 1.104 174 L HN 0.203 nan 8.230 nan 0.000 0.500 175 T N 2.551 117.166 114.554 0.102 0.000 2.902 175 T HA 0.372 4.722 4.350 0.000 0.000 0.280 175 T C 1.756 176.545 174.700 0.149 0.000 0.992 175 T CA -0.470 61.711 62.100 0.136 0.000 1.015 175 T CB 0.554 69.480 68.868 0.096 0.000 1.044 175 T HN 0.433 nan 8.240 nan 0.000 0.520 176 I N 1.312 122.007 120.570 0.209 0.000 2.264 176 I HA -0.158 4.012 4.170 0.000 0.000 0.248 176 I C 2.804 179.012 176.117 0.151 0.000 1.111 176 I CA 1.276 62.707 61.300 0.219 0.000 1.382 176 I CB -0.272 37.913 38.000 0.310 0.000 1.060 176 I HN 0.593 nan 8.210 nan 0.000 0.418 177 R N 1.375 121.944 120.500 0.116 0.000 2.081 177 R HA -0.166 4.174 4.340 0.000 0.000 0.235 177 R C 1.405 177.742 176.300 0.061 0.000 1.131 177 R CA 1.500 57.648 56.100 0.080 0.000 0.960 177 R CB -0.063 30.274 30.300 0.062 0.000 0.856 177 R HN 0.522 nan 8.270 nan 0.000 0.436 178 E N 0.829 121.064 120.200 0.058 0.000 2.296 178 E HA 0.031 4.381 4.350 0.000 0.000 0.196 178 E C -0.566 176.052 176.600 0.030 0.000 1.143 178 E CA -0.227 56.198 56.400 0.041 0.000 1.145 178 E CB 0.068 29.790 29.700 0.036 0.000 1.215 178 E HN 0.118 nan 8.360 nan 0.000 0.447 179 R N -0.658 119.863 120.500 0.036 0.000 3.322 179 R HA -0.234 4.106 4.340 0.000 0.000 0.266 179 R C 0.973 177.234 176.300 -0.066 0.000 1.072 179 R CA 0.395 56.498 56.100 0.004 0.000 0.715 179 R CB -2.204 28.096 30.300 0.001 0.000 1.199 179 R HN 0.510 nan 8.270 nan 0.000 0.421 180 A N 0.585 123.362 122.820 -0.072 0.000 1.869 180 A HA -0.157 4.163 4.320 0.000 0.000 0.218 180 A C 1.289 178.602 177.584 -0.452 0.000 1.203 180 A CA 1.805 53.716 52.037 -0.210 0.000 0.638 180 A CB -0.092 18.834 19.000 -0.122 0.000 0.831 180 A HN 0.452 nan 8.150 nan 0.000 0.450 181 V N 0.108 119.689 119.914 -0.555 0.000 2.341 181 V HA 0.504 4.624 4.120 0.000 0.000 0.248 181 V C 1.136 176.932 176.094 -0.496 0.000 1.107 181 V CA 0.202 62.062 62.300 -0.733 0.000 1.069 181 V CB -0.052 31.102 31.823 -1.116 0.000 1.177 181 V HN 0.612 nan 8.190 nan 0.000 0.492 182 A N 5.453 128.018 122.820 -0.425 0.000 2.119 182 A HA 0.228 4.548 4.320 0.000 0.000 0.217 182 A C 2.225 179.424 177.584 -0.642 0.000 1.153 182 A CA 1.271 53.120 52.037 -0.314 0.000 0.692 182 A CB -0.211 18.733 19.000 -0.094 0.000 0.799 182 A HN 1.443 nan 8.150 nan 0.000 0.458 183 A N -1.387 120.846 122.820 -0.978 0.000 2.121 183 A HA 0.054 4.374 4.320 0.000 0.000 0.218 183 A C 0.808 178.094 177.584 -0.496 0.000 1.154 183 A CA 0.077 51.369 52.037 -1.242 0.000 0.679 183 A CB -0.365 18.085 19.000 -0.915 0.000 0.795 183 A HN 0.590 nan 8.150 nan 0.000 0.458 184 W N 0.269 121.306 121.300 -0.438 0.000 2.049 184 W HA 0.364 5.024 4.660 0.000 0.000 0.356 184 W C -2.354 173.924 176.519 -0.402 0.000 1.323 184 W CA -2.330 54.730 57.345 -0.476 0.000 1.336 184 W CB -0.399 28.824 29.460 -0.395 0.000 1.176 184 W HN 0.008 nan 8.180 nan 0.000 0.623 185 P HA -0.007 nan 4.420 nan 0.000 0.272 185 P C 0.401 177.690 177.300 -0.019 0.000 1.240 185 P CA 0.081 63.133 63.100 -0.080 0.000 0.791 185 P CB 0.708 32.350 31.700 -0.095 0.000 0.978 186 Q N 0.861 120.684 119.800 0.038 0.000 2.033 186 Q HA -0.041 4.299 4.340 0.000 0.000 0.196 186 Q C 1.450 177.468 176.000 0.030 0.000 0.970 186 Q CA 2.100 57.928 55.803 0.041 0.000 0.828 186 Q CB -0.748 28.028 28.738 0.063 0.000 0.895 186 Q HN 0.542 nan 8.270 nan 0.000 0.440 187 A N -1.310 121.542 122.820 0.054 0.000 2.930 187 A HA 0.068 4.388 4.320 0.000 0.000 0.213 187 A C 1.560 179.191 177.584 0.079 0.000 2.276 187 A CA 0.334 52.415 52.037 0.073 0.000 1.182 187 A CB -1.581 17.479 19.000 0.101 0.000 1.301 187 A HN 0.582 nan 8.150 nan 0.000 0.481 188 W N 1.231 122.509 121.300 -0.036 0.000 2.342 188 W HA -0.042 4.618 4.660 -0.000 0.000 0.297 188 W C 1.966 178.436 176.519 -0.082 0.000 1.213 188 W CA 2.289 59.604 57.345 -0.050 0.000 1.251 188 W CB -0.334 29.088 29.460 -0.063 0.000 1.136 188 W HN 0.391 nan 8.180 nan 0.000 0.526 189 G N 0.117 108.860 108.800 -0.094 0.000 2.418 189 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 189 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 189 G C 1.660 176.221 174.900 -0.566 0.000 1.158 189 G CA 1.092 45.979 45.100 -0.354 0.000 0.771 189 G HN 0.489 nan 8.290 nan 0.000 0.545 190 G N -0.161 108.423 108.800 -0.361 0.000 2.403 190 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 190 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 190 G C 1.680 176.375 174.900 -0.343 0.000 1.154 190 G CA 1.122 46.035 45.100 -0.311 0.000 0.784 190 G HN 0.516 nan 8.290 nan 0.000 0.538 191 Q N 0.547 120.154 119.800 -0.321 0.000 2.084 191 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 191 Q C 2.297 178.053 176.000 -0.405 0.000 0.978 191 Q CA 1.568 57.200 55.803 -0.285 0.000 0.844 191 Q CB -0.486 28.125 28.738 -0.212 0.000 0.898 191 Q HN 0.631 nan 8.270 nan 0.000 0.426 192 N N -0.913 117.351 118.700 -0.726 0.000 2.104 192 N HA -0.198 4.542 4.740 0.000 0.000 0.190 192 N C 1.763 176.968 175.510 -0.507 0.000 1.024 192 N CA 1.204 53.814 53.050 -0.732 0.000 0.853 192 N CB 0.104 37.741 38.487 -1.417 0.000 1.008 192 N HN 0.330 nan 8.380 nan 0.000 0.424 193 Q N 0.707 120.103 119.800 -0.672 0.000 2.167 193 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 193 Q C 2.092 177.876 176.000 -0.360 0.000 0.970 193 Q CA 0.682 56.060 55.803 -0.707 0.000 0.855 193 Q CB -0.387 27.337 28.738 -1.690 0.000 0.911 193 Q HN 0.442 nan 8.270 nan 0.000 0.438 194 R N 1.094 121.425 120.500 -0.282 0.000 2.070 194 R HA -0.145 4.195 4.340 0.000 0.000 0.233 194 R C 1.196 177.477 176.300 -0.031 0.000 1.137 194 R CA 1.581 57.649 56.100 -0.054 0.000 0.945 194 R CB -0.023 30.260 30.300 -0.028 0.000 0.845 194 R HN 0.138 nan 8.270 nan 0.000 0.430 195 D N 0.694 121.046 120.400 -0.080 0.000 2.149 195 D HA -0.159 4.481 4.640 0.000 0.000 0.198 195 D C 1.975 178.260 176.300 -0.024 0.000 0.990 195 D CA 1.187 55.160 54.000 -0.045 0.000 0.839 195 D CB -0.215 40.543 40.800 -0.070 0.000 0.948 195 D HN 0.356 nan 8.370 nan 0.000 0.460 196 I N 0.345 120.894 120.570 -0.035 0.000 2.179 196 I HA -0.244 3.926 4.170 0.000 0.000 0.242 196 I C 2.339 178.490 176.117 0.056 0.000 1.088 196 I CA 0.716 62.033 61.300 0.028 0.000 1.357 196 I CB -0.163 37.894 38.000 0.095 0.000 1.051 196 I HN -0.018 nan 8.210 nan 0.000 0.409 197 L N 0.269 121.538 121.223 0.077 0.000 2.083 197 L HA -0.179 4.161 4.340 0.000 0.000 0.209 197 L C 2.745 179.634 176.870 0.033 0.000 1.083 197 L CA 1.284 56.166 54.840 0.071 0.000 0.752 197 L CB -0.876 41.276 42.059 0.153 0.000 0.899 197 L HN 0.268 nan 8.230 nan 0.000 0.433 198 V N -3.008 116.926 119.914 0.034 0.000 2.255 198 V HA -0.288 3.832 4.120 0.000 0.000 0.247 198 V C 2.326 178.429 176.094 0.014 0.000 1.051 198 V CA 2.457 64.769 62.300 0.020 0.000 1.018 198 V CB -1.354 30.481 31.823 0.020 0.000 0.641 198 V HN 0.404 nan 8.190 nan 0.000 0.445 199 T N 1.236 115.810 114.554 0.034 0.000 2.665 199 T HA -0.152 4.198 4.350 0.000 0.000 0.268 199 T C 1.898 176.605 174.700 0.011 0.000 1.035 199 T CA 2.331 64.460 62.100 0.048 0.000 1.151 199 T CB -0.568 68.345 68.868 0.075 0.000 0.862 199 T HN 0.461 nan 8.240 nan 0.000 0.438 200 L N 0.317 121.536 121.223 -0.008 0.000 2.353 200 L HA 0.058 4.398 4.340 0.000 0.000 0.220 200 L C 1.891 178.712 176.870 -0.081 0.000 1.133 200 L CA 0.767 55.573 54.840 -0.056 0.000 0.798 200 L CB -0.638 41.366 42.059 -0.092 0.000 0.922 200 L HN 0.600 nan 8.230 nan 0.000 0.445 201 G N 0.504 109.271 108.800 -0.054 0.000 2.142 201 G HA2 -0.265 3.695 3.960 0.000 0.000 0.225 201 G HA3 -0.265 3.695 3.960 0.000 0.000 0.225 201 G C -0.010 174.848 174.900 -0.068 0.000 1.015 201 G CA -0.241 44.824 45.100 -0.058 0.000 0.716 201 G HN 0.251 nan 8.290 nan 0.000 0.508 202 I N 0.536 121.071 120.570 -0.058 0.000 2.440 202 I HA 0.309 4.479 4.170 0.000 0.000 0.294 202 I C 0.035 176.147 176.117 -0.008 0.000 0.995 202 I CA -0.690 60.581 61.300 -0.048 0.000 1.306 202 I CB 1.259 39.233 38.000 -0.043 0.000 1.407 202 I HN -0.013 nan 8.210 nan 0.000 0.501 203 D N 5.068 125.460 120.400 -0.013 0.000 2.374 203 D HA 0.096 4.736 4.640 0.000 0.000 0.240 203 D C 0.791 177.117 176.300 0.042 0.000 1.229 203 D CA -0.090 53.913 54.000 0.005 0.000 0.895 203 D CB 1.188 41.981 40.800 -0.012 0.000 1.046 203 D HN 0.326 nan 8.370 nan 0.000 0.498 204 V N 0.676 120.628 119.914 0.064 0.000 3.646 204 V HA 0.206 4.325 4.120 0.000 0.000 0.277 204 V C 0.262 176.409 176.094 0.087 0.000 1.274 204 V CA 0.424 62.785 62.300 0.103 0.000 1.164 204 V CB 0.065 31.953 31.823 0.108 0.000 0.926 204 V HN 0.265 nan 8.190 nan 0.000 0.442 205 D N 0.229 120.664 120.400 0.060 0.000 2.720 205 D HA 0.400 5.040 4.640 0.000 0.000 0.285 205 D C -0.393 175.933 176.300 0.043 0.000 1.359 205 D CA 0.295 54.324 54.000 0.049 0.000 0.818 205 D CB 1.760 42.580 40.800 0.033 0.000 1.108 205 D HN 0.364 nan 8.370 nan 0.000 0.474 206 V N 1.580 121.525 119.914 0.051 0.000 2.638 206 V HA 0.303 4.423 4.120 0.000 0.000 0.306 206 V C -2.298 173.838 176.094 0.070 0.000 1.052 206 V CA -2.095 60.230 62.300 0.041 0.000 0.885 206 V CB 2.848 34.678 31.823 0.012 0.000 0.999 206 V HN -0.121 nan 8.190 nan 0.000 0.424 207 P HA -0.131 nan 4.420 nan 0.000 0.263 207 P C 0.620 178.006 177.300 0.144 0.000 1.162 207 P CA 0.522 63.688 63.100 0.109 0.000 0.758 207 P CB 0.415 32.161 31.700 0.077 0.000 0.773 208 W N 6.578 127.885 121.300 0.011 0.000 2.301 208 W HA -0.287 4.373 4.660 0.000 0.000 0.325 208 W C 1.849 178.378 176.519 0.015 0.000 1.250 208 W CA 2.107 59.458 57.345 0.010 0.000 1.261 208 W CB -0.409 29.048 29.460 -0.004 0.000 1.157 208 W HN 0.404 nan 8.180 nan 0.000 0.473 209 R N 0.906 121.509 120.500 0.171 0.000 2.226 209 R HA -0.211 4.129 4.340 0.000 0.000 0.246 209 R C 1.206 177.485 176.300 -0.035 0.000 1.161 209 R CA 2.175 58.313 56.100 0.064 0.000 0.997 209 R CB -0.969 29.397 30.300 0.110 0.000 0.870 209 R HN 0.319 nan 8.270 nan 0.000 0.465 210 E N 0.719 120.893 120.200 -0.043 0.000 2.463 210 E HA 0.210 4.560 4.350 0.000 0.000 0.193 210 E C -0.077 176.464 176.600 -0.099 0.000 1.041 210 E CA -0.349 56.019 56.400 -0.052 0.000 0.879 210 E CB 0.329 30.018 29.700 -0.019 0.000 0.997 210 E HN 0.278 nan 8.360 nan 0.000 0.478 211 L N 2.355 123.467 121.223 -0.186 0.000 2.417 211 L HA 0.234 4.574 4.340 0.000 0.000 0.268 211 L C -2.008 174.740 176.870 -0.203 0.000 1.158 211 L CA -2.156 52.546 54.840 -0.230 0.000 0.819 211 L CB 0.131 41.949 42.059 -0.403 0.000 1.112 211 L HN -0.185 nan 8.230 nan 0.000 0.458 212 P HA -0.092 nan 4.420 nan 0.000 0.266 212 P C 0.299 177.533 177.300 -0.110 0.000 1.186 212 P CA 0.053 63.087 63.100 -0.110 0.000 0.767 212 P CB 0.542 32.186 31.700 -0.093 0.000 0.820 213 E N 2.157 122.319 120.200 -0.063 0.000 2.171 213 E HA -0.253 4.097 4.350 0.000 0.000 0.197 213 E C 1.062 177.678 176.600 0.027 0.000 0.997 213 E CA 1.925 58.312 56.400 -0.021 0.000 0.810 213 E CB -0.334 29.360 29.700 -0.009 0.000 0.738 213 E HN 0.467 nan 8.360 nan 0.000 0.467 214 E N -1.191 119.016 120.200 0.011 0.000 2.318 214 E HA 0.029 4.379 4.350 0.000 0.000 0.193 214 E C 1.863 178.532 176.600 0.114 0.000 0.998 214 E CA 1.101 57.543 56.400 0.069 0.000 0.859 214 E CB 0.063 29.773 29.700 0.018 0.000 0.812 214 E HN 0.187 nan 8.360 nan 0.000 0.492 215 T N 0.807 115.366 114.554 0.008 0.000 2.737 215 T HA -0.106 4.244 4.350 0.000 0.000 0.265 215 T C 1.712 176.438 174.700 0.044 0.000 1.038 215 T CA 1.096 63.192 62.100 -0.007 0.000 1.144 215 T CB -0.098 68.696 68.868 -0.124 0.000 0.866 215 T HN 0.127 nan 8.240 nan 0.000 0.434 216 R N 0.288 120.712 120.500 -0.127 0.000 2.081 216 R HA -0.076 4.264 4.340 0.000 0.000 0.235 216 R C 2.466 178.931 176.300 0.275 0.000 1.131 216 R CA 1.216 57.223 56.100 -0.154 0.000 0.960 216 R CB -0.581 29.506 30.300 -0.355 0.000 0.856 216 R HN 0.487 nan 8.270 nan 0.000 0.436 217 H N -0.291 118.926 119.070 0.246 0.000 2.389 217 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 217 H C 1.771 177.364 175.328 0.441 0.000 1.081 217 H CA 1.718 58.014 56.048 0.413 0.000 1.345 217 H CB -0.072 29.875 29.762 0.308 0.000 1.393 217 H HN 0.311 nan 8.280 nan 0.000 0.520 218 W N 1.309 122.779 121.300 0.283 0.000 2.378 218 W HA -0.118 4.542 4.660 0.000 0.000 0.313 218 W C 2.459 179.122 176.519 0.240 0.000 1.197 218 W CA 1.503 58.982 57.345 0.224 0.000 1.304 218 W CB -0.655 28.879 29.460 0.123 0.000 1.148 218 W HN 0.064 nan 8.180 nan 0.000 0.494 219 I N 0.228 121.092 120.570 0.491 0.000 2.194 219 I HA -0.349 3.821 4.170 0.000 0.000 0.246 219 I C 2.119 178.344 176.117 0.180 0.000 1.093 219 I CA 1.157 62.741 61.300 0.474 0.000 1.355 219 I CB -0.647 37.691 38.000 0.562 0.000 1.046 219 I HN 0.046 nan 8.210 nan 0.000 0.413 220 L N -1.315 119.892 121.223 -0.028 0.000 2.209 220 L HA -0.015 4.325 4.340 0.000 0.000 0.207 220 L C 1.545 178.009 176.870 -0.677 0.000 1.094 220 L CA 1.841 56.383 54.840 -0.497 0.000 0.790 220 L CB -0.416 41.193 42.059 -0.750 0.000 0.932 220 L HN 0.127 nan 8.230 nan 0.000 0.447 221 F N -2.666 117.197 119.950 -0.145 0.000 2.819 221 F HA 0.234 4.761 4.527 -0.000 0.000 0.325 221 F C 1.341 177.058 175.800 -0.139 0.000 1.041 221 F CA -0.471 57.418 58.000 -0.185 0.000 1.184 221 F CB -0.449 38.334 39.000 -0.361 0.000 1.019 221 F HN -0.301 nan 8.300 nan 0.000 0.590 222 T N 1.361 115.896 114.554 -0.031 0.000 2.906 222 T HA -0.014 4.336 4.350 0.000 0.000 0.320 222 T C 0.960 175.618 174.700 -0.070 0.000 1.088 222 T CA 0.430 62.466 62.100 -0.108 0.000 1.120 222 T CB 0.489 69.042 68.868 -0.525 0.000 1.000 222 T HN 0.376 nan 8.240 nan 0.000 0.550 223 D N 1.995 122.395 120.400 0.001 0.000 2.349 223 D HA 0.068 4.708 4.640 0.000 0.000 0.214 223 D C 0.359 176.680 176.300 0.036 0.000 1.063 223 D CA 0.032 54.044 54.000 0.019 0.000 0.847 223 D CB -0.093 40.735 40.800 0.048 0.000 0.933 223 D HN 0.643 nan 8.370 nan 0.000 0.513 224 E N 0.510 120.743 120.200 0.054 0.000 2.398 224 E HA 0.188 4.538 4.350 0.000 0.000 0.263 224 E C -0.102 176.596 176.600 0.162 0.000 1.046 224 E CA 0.248 56.730 56.400 0.137 0.000 0.908 224 E CB 0.614 30.482 29.700 0.279 0.000 0.963 224 E HN 0.184 nan 8.360 nan 0.000 0.431 225 Q N 2.155 122.075 119.800 0.200 0.000 3.605 225 Q HA 0.206 4.546 4.340 0.000 0.000 0.222 225 Q C -2.416 173.715 176.000 0.219 0.000 0.915 225 Q CA -1.440 54.492 55.803 0.214 0.000 0.731 225 Q CB 1.443 30.235 28.738 0.091 0.000 1.423 225 Q HN 0.396 nan 8.270 nan 0.000 0.446 226 P HA 0.097 nan 4.420 nan 0.000 0.271 226 P C -0.424 176.980 177.300 0.174 0.000 1.218 226 P CA -0.175 63.048 63.100 0.205 0.000 0.780 226 P CB 1.287 33.112 31.700 0.209 0.000 0.901 227 V N 3.496 123.479 119.914 0.116 0.000 2.357 227 V HA 0.362 4.482 4.120 0.000 0.000 0.284 227 V C 0.542 176.673 176.094 0.062 0.000 1.018 227 V CA -0.492 61.861 62.300 0.088 0.000 0.841 227 V CB 1.450 33.315 31.823 0.070 0.000 0.991 227 V HN 0.534 nan 8.190 nan 0.000 0.437 228 V N 3.626 123.567 119.914 0.045 0.000 3.040 228 V HA 0.769 4.889 4.120 0.000 0.000 0.312 228 V C -2.930 173.125 176.094 -0.065 0.000 1.115 228 V CA -3.090 59.216 62.300 0.010 0.000 0.998 228 V CB 2.292 34.133 31.823 0.030 0.000 1.042 228 V HN 0.590 nan 8.190 nan 0.000 0.433 229 P HA 0.276 nan 4.420 nan 0.000 0.267 229 P C -0.648 176.401 177.300 -0.418 0.000 1.209 229 P CA 0.196 63.126 63.100 -0.284 0.000 0.763 229 P CB 0.767 32.357 31.700 -0.183 0.000 0.816 230 V N 5.709 125.231 119.914 -0.653 0.000 2.417 230 V HA 0.278 4.398 4.120 0.000 0.000 0.291 230 V C -0.527 175.167 176.094 -0.667 0.000 1.024 230 V CA -0.330 61.600 62.300 -0.617 0.000 0.861 230 V CB 0.836 32.175 31.823 -0.808 0.000 0.985 230 V HN 0.399 nan 8.190 nan 0.000 0.436 231 Y N 5.038 125.236 120.300 -0.170 0.000 2.837 231 Y HA 0.421 4.971 4.550 0.000 0.000 0.356 231 Y C -2.306 173.567 175.900 -0.045 0.000 1.035 231 Y CA -2.655 55.391 58.100 -0.090 0.000 1.165 231 Y CB 0.739 39.163 38.460 -0.060 0.000 1.147 231 Y HN 0.513 nan 8.280 nan 0.000 0.628 232 P HA 0.170 nan 4.420 nan 0.000 0.268 232 P C 1.052 178.408 177.300 0.093 0.000 1.205 232 P CA 1.243 64.401 63.100 0.097 0.000 0.771 232 P CB 1.047 32.836 31.700 0.149 0.000 0.858 233 G N 1.436 110.277 108.800 0.068 0.000 2.317 233 G HA2 -0.226 3.734 3.960 0.000 0.000 0.227 233 G HA3 -0.226 3.734 3.960 0.000 0.000 0.227 233 G C 0.106 175.030 174.900 0.040 0.000 1.042 233 G CA -0.302 44.830 45.100 0.054 0.000 0.623 233 G HN 0.467 nan 8.290 nan 0.000 0.509 234 L N 2.351 123.600 121.223 0.043 0.000 2.473 234 L HA 0.420 4.760 4.340 0.000 0.000 0.268 234 L C 1.750 178.623 176.870 0.004 0.000 1.215 234 L CA 0.398 55.246 54.840 0.013 0.000 0.823 234 L CB 0.303 42.355 42.059 -0.012 0.000 1.099 234 L HN 0.531 nan 8.230 nan 0.000 0.483 235 T N -1.507 113.041 114.554 -0.010 0.000 2.788 235 T HA 0.187 4.537 4.350 0.000 0.000 0.287 235 T C -1.870 172.818 174.700 -0.020 0.000 1.007 235 T CA -1.587 60.507 62.100 -0.009 0.000 1.005 235 T CB 1.077 69.938 68.868 -0.012 0.000 1.012 235 T HN 0.356 nan 8.240 nan 0.000 0.530 236 P HA -0.068 nan 4.420 nan 0.000 0.215 236 P C 1.667 178.943 177.300 -0.039 0.000 1.157 236 P CA 1.673 64.760 63.100 -0.021 0.000 0.874 236 P CB -0.351 31.342 31.700 -0.011 0.000 0.790 237 A N -0.267 122.531 122.820 -0.037 0.000 1.930 237 A HA -0.214 4.106 4.320 0.000 0.000 0.217 237 A C 2.138 179.684 177.584 -0.063 0.000 1.175 237 A CA 1.609 53.619 52.037 -0.044 0.000 0.627 237 A CB -1.189 17.790 19.000 -0.034 0.000 0.815 237 A HN 0.178 nan 8.150 nan 0.000 0.443 238 E N -0.880 119.281 120.200 -0.066 0.000 2.150 238 E HA -0.100 4.250 4.350 0.000 0.000 0.193 238 E C 1.952 178.459 176.600 -0.156 0.000 0.985 238 E CA 1.417 57.762 56.400 -0.092 0.000 0.814 238 E CB -0.179 29.478 29.700 -0.072 0.000 0.752 238 E HN 0.591 nan 8.360 nan 0.000 0.466 239 T N 0.961 115.426 114.554 -0.149 0.000 2.777 239 T HA -0.125 4.225 4.350 0.000 0.000 0.266 239 T C 1.704 176.257 174.700 -0.246 0.000 1.040 239 T CA 0.824 62.789 62.100 -0.226 0.000 1.141 239 T CB -0.036 68.777 68.868 -0.092 0.000 0.868 239 T HN 0.047 nan 8.240 nan 0.000 0.444 240 Q N 0.897 120.612 119.800 -0.142 0.000 2.297 240 Q HA -0.004 4.336 4.340 0.000 0.000 0.204 240 Q C 2.305 178.236 176.000 -0.115 0.000 0.962 240 Q CA 0.988 56.727 55.803 -0.106 0.000 0.879 240 Q CB -0.122 28.574 28.738 -0.070 0.000 0.947 240 Q HN 0.681 nan 8.270 nan 0.000 0.462 241 R N -1.029 119.391 120.500 -0.133 0.000 2.237 241 R HA 0.358 4.698 4.340 0.000 0.000 0.195 241 R C 2.078 178.290 176.300 -0.148 0.000 0.956 241 R CA 0.719 56.751 56.100 -0.113 0.000 1.029 241 R CB -0.388 29.861 30.300 -0.084 0.000 0.972 241 R HN 0.020 nan 8.270 nan 0.000 0.493 242 A N 2.195 124.863 122.820 -0.254 0.000 1.908 242 A HA -0.102 4.218 4.320 0.000 0.000 0.218 242 A C 2.161 179.589 177.584 -0.259 0.000 1.181 242 A CA 1.216 53.034 52.037 -0.364 0.000 0.627 242 A CB -0.538 17.967 19.000 -0.826 0.000 0.818 242 A HN 0.262 nan 8.150 nan 0.000 0.445 243 L N -1.155 119.931 121.223 -0.230 0.000 2.005 243 L HA -0.188 4.152 4.340 0.000 0.000 0.207 243 L C 2.589 179.443 176.870 -0.027 0.000 1.072 243 L CA 1.932 56.741 54.840 -0.052 0.000 0.744 243 L CB -0.447 41.595 42.059 -0.028 0.000 0.895 243 L HN 0.376 nan 8.230 nan 0.000 0.433 244 K N 0.846 121.216 120.400 -0.049 0.000 2.052 244 K HA -0.251 4.069 4.320 0.000 0.000 0.215 244 K C 1.788 178.375 176.600 -0.022 0.000 1.053 244 K CA 2.128 58.395 56.287 -0.033 0.000 0.934 244 K CB -0.079 32.396 32.500 -0.042 0.000 0.717 244 K HN 0.277 nan 8.250 nan 0.000 0.450 245 K N 0.116 120.498 120.400 -0.029 0.000 2.437 245 K HA 0.037 4.357 4.320 0.000 0.000 0.198 245 K C -0.466 176.136 176.600 0.003 0.000 1.024 245 K CA 0.155 56.434 56.287 -0.015 0.000 1.148 245 K CB 0.490 32.977 32.500 -0.021 0.000 0.860 245 K HN -0.034 nan 8.250 nan 0.000 0.515 246 K N 0.987 121.397 120.400 0.017 0.000 3.117 246 K HA -0.190 4.130 4.320 0.000 0.000 0.269 246 K C -0.165 176.480 176.600 0.074 0.000 1.098 246 K CA 0.738 57.055 56.287 0.050 0.000 0.785 246 K CB -2.024 30.498 32.500 0.035 0.000 1.242 246 K HN 0.585 nan 8.250 nan 0.000 0.491 247 M N 1.475 121.125 119.600 0.083 0.000 2.248 247 M HA -0.003 4.477 4.480 0.000 0.000 0.345 247 M C 0.672 177.107 176.300 0.225 0.000 1.243 247 M CA 0.636 56.009 55.300 0.121 0.000 1.090 247 M CB 0.388 33.033 32.600 0.075 0.000 1.683 247 M HN 0.161 nan 8.290 nan 0.000 0.450 248 E N 6.735 127.019 120.200 0.140 0.000 2.417 248 E HA 0.171 4.521 4.350 0.000 0.000 0.261 248 E C -2.323 174.314 176.600 0.063 0.000 1.000 248 E CA -1.393 55.056 56.400 0.082 0.000 0.919 248 E CB 0.566 30.294 29.700 0.047 0.000 0.955 248 E HN 0.431 nan 8.360 nan 0.000 0.455 249 P HA 0.182 nan 4.420 nan 0.000 0.287 249 P C 0.039 177.215 177.300 -0.207 0.000 1.296 249 P CA -0.508 62.333 63.100 -0.432 0.000 0.811 249 P CB 1.017 32.176 31.700 -0.902 0.000 1.211 250 S N -1.197 114.379 115.700 -0.206 0.000 2.387 250 S HA 0.018 4.488 4.470 0.000 0.000 0.226 250 S C 0.414 175.083 174.600 0.115 0.000 1.026 250 S CA 1.224 59.426 58.200 0.005 0.000 0.972 250 S CB -0.744 62.533 63.200 0.129 0.000 0.814 250 S HN 0.709 nan 8.310 nan 0.000 0.477 251 Y N -2.038 118.215 120.300 -0.079 0.000 2.713 251 Y HA 0.644 5.194 4.550 0.000 0.000 0.335 251 Y C -1.401 174.460 175.900 -0.064 0.000 1.222 251 Y CA -1.735 56.340 58.100 -0.043 0.000 1.061 251 Y CB 0.483 38.949 38.460 0.010 0.000 1.314 251 Y HN -0.252 nan 8.280 nan 0.000 0.453 252 M N 2.438 122.094 119.600 0.093 0.000 2.157 252 M HA 0.543 5.023 4.480 0.000 0.000 0.354 252 M C 0.065 176.473 176.300 0.180 0.000 1.170 252 M CA -0.549 54.761 55.300 0.018 0.000 1.060 252 M CB 0.895 33.517 32.600 0.038 0.000 1.615 252 M HN 0.983 nan 8.290 nan 0.000 0.460 253 G N 2.001 110.845 108.800 0.074 0.000 2.400 253 G HA2 0.641 4.601 3.960 0.000 0.000 0.333 253 G HA3 0.641 4.601 3.960 0.000 0.000 0.333 253 G C -0.869 174.100 174.900 0.115 0.000 1.143 253 G CA -0.323 44.884 45.100 0.178 0.000 0.914 253 G HN 0.591 nan 8.290 nan 0.000 0.480 254 T N 2.043 116.668 114.554 0.117 0.000 2.756 254 T HA 0.287 4.637 4.350 0.000 0.000 0.290 254 T C -0.352 174.397 174.700 0.083 0.000 0.985 254 T CA -0.256 61.903 62.100 0.098 0.000 0.955 254 T CB 0.919 69.826 68.868 0.066 0.000 0.930 254 T HN 0.363 nan 8.240 nan 0.000 0.451 255 F N 3.902 123.855 119.950 0.006 0.000 2.607 255 F HA 0.351 4.878 4.527 0.000 0.000 0.374 255 F C 0.628 176.399 175.800 -0.048 0.000 1.104 255 F CA 0.007 57.995 58.000 -0.019 0.000 1.296 255 F CB 0.415 39.456 39.000 0.069 0.000 1.085 255 F HN 0.499 nan 8.300 nan 0.000 0.584 256 S N 4.813 119.893 115.700 -1.034 0.000 2.619 256 S HA 0.541 5.011 4.470 0.000 0.000 0.280 256 S C -0.602 173.421 174.600 -0.962 0.000 1.150 256 S CA -0.349 57.366 58.200 -0.807 0.000 0.978 256 S CB 0.870 63.863 63.200 -0.345 0.000 1.041 256 S HN 1.045 nan 8.310 nan 0.000 0.485 257 S N 3.400 118.696 115.700 -0.674 0.000 2.576 257 S HA 0.502 4.972 4.470 0.000 0.000 0.272 257 S C 1.691 176.256 174.600 -0.058 0.000 1.352 257 S CA -0.236 57.790 58.200 -0.291 0.000 1.021 257 S CB 0.454 63.551 63.200 -0.172 0.000 0.887 257 S HN 1.668 nan 8.310 nan 0.000 0.542 258 A N 2.297 124.978 122.820 -0.231 0.000 1.892 258 A HA -0.189 4.131 4.320 0.000 0.000 0.218 258 A C 2.325 179.774 177.584 -0.227 0.000 1.188 258 A CA 1.941 53.700 52.037 -0.463 0.000 0.631 258 A CB -1.011 17.526 19.000 -0.773 0.000 0.822 258 A HN 0.972 nan 8.150 nan 0.000 0.447 259 R N -0.787 119.570 120.500 -0.239 0.000 2.080 259 R HA -0.160 4.180 4.340 0.000 0.000 0.236 259 R C 2.500 178.790 176.300 -0.017 0.000 1.137 259 R CA 1.703 57.737 56.100 -0.111 0.000 0.943 259 R CB -0.349 29.924 30.300 -0.044 0.000 0.846 259 R HN 0.537 nan 8.270 nan 0.000 0.431 260 R N -0.415 120.077 120.500 -0.014 0.000 2.091 260 R HA -0.217 4.123 4.340 0.000 0.000 0.238 260 R C 2.502 178.842 176.300 0.067 0.000 1.136 260 R CA 2.020 58.129 56.100 0.016 0.000 0.959 260 R CB -0.592 29.681 30.300 -0.045 0.000 0.856 260 R HN 0.505 nan 8.270 nan 0.000 0.437 261 H N -0.009 119.064 119.070 0.004 0.000 2.290 261 H HA -0.106 4.450 4.556 0.000 0.000 0.298 261 H C 1.969 177.349 175.328 0.087 0.000 1.087 261 H CA 2.092 58.176 56.048 0.061 0.000 1.291 261 H CB -0.040 29.801 29.762 0.132 0.000 1.369 261 H HN 0.053 nan 8.280 nan 0.000 0.492 262 V N 1.623 121.510 119.914 -0.044 0.000 2.255 262 V HA -0.285 3.835 4.120 0.000 0.000 0.247 262 V C 3.088 179.161 176.094 -0.036 0.000 1.051 262 V CA 1.854 64.111 62.300 -0.072 0.000 1.018 262 V CB -0.649 31.167 31.823 -0.012 0.000 0.641 262 V HN 0.358 nan 8.190 nan 0.000 0.445 263 L N -0.989 120.242 121.223 0.012 0.000 2.072 263 L HA -0.157 4.183 4.340 0.000 0.000 0.205 263 L C 2.623 179.553 176.870 0.100 0.000 1.079 263 L CA 1.810 56.686 54.840 0.060 0.000 0.752 263 L CB -0.926 41.174 42.059 0.068 0.000 0.906 263 L HN 0.489 nan 8.230 nan 0.000 0.436 264 H N 0.517 119.580 119.070 -0.011 0.000 2.321 264 H HA -0.166 4.390 4.556 0.000 0.000 0.300 264 H C 2.254 177.558 175.328 -0.040 0.000 1.087 264 H CA 2.324 58.363 56.048 -0.016 0.000 1.319 264 H CB 0.209 29.956 29.762 -0.024 0.000 1.379 264 H HN 0.423 nan 8.280 nan 0.000 0.501 265 T N -1.118 113.403 114.554 -0.056 0.000 2.674 265 T HA -0.211 4.139 4.350 0.000 0.000 0.265 265 T C 2.045 176.691 174.700 -0.091 0.000 1.039 265 T CA 1.347 63.374 62.100 -0.121 0.000 1.150 265 T CB -1.349 67.391 68.868 -0.213 0.000 0.864 265 T HN 0.286 nan 8.240 nan 0.000 0.427 266 F N 2.997 122.847 119.950 -0.168 0.000 2.111 266 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 266 F C 2.577 178.289 175.800 -0.147 0.000 1.088 266 F CA 1.480 59.388 58.000 -0.153 0.000 1.243 266 F CB -0.760 38.136 39.000 -0.173 0.000 0.996 266 F HN 0.311 nan 8.300 nan 0.000 0.483 267 A N -0.759 121.991 122.820 -0.118 0.000 2.021 267 A HA -0.031 4.289 4.320 0.000 0.000 0.216 267 A C 1.927 179.362 177.584 -0.249 0.000 1.163 267 A CA 1.401 53.327 52.037 -0.184 0.000 0.676 267 A CB -0.407 18.563 19.000 -0.050 0.000 0.818 267 A HN 0.542 nan 8.150 nan 0.000 0.453 268 N N -1.425 117.102 118.700 -0.289 0.000 2.397 268 N HA 0.015 4.755 4.740 0.000 0.000 0.190 268 N C 0.367 175.759 175.510 -0.196 0.000 1.099 268 N CA 0.244 53.133 53.050 -0.269 0.000 0.876 268 N CB 0.262 38.502 38.487 -0.412 0.000 1.143 268 N HN 0.291 nan 8.380 nan 0.000 0.468 269 T N 1.637 116.079 114.554 -0.186 0.000 2.903 269 T HA -0.019 4.331 4.350 0.000 0.000 0.314 269 T C 0.983 175.607 174.700 -0.127 0.000 1.078 269 T CA 0.319 62.344 62.100 -0.126 0.000 1.114 269 T CB 0.686 69.497 68.868 -0.096 0.000 0.987 269 T HN 0.223 nan 8.240 nan 0.000 0.548 270 E N 1.903 122.051 120.200 -0.086 0.000 2.630 270 E HA 0.153 4.503 4.350 0.000 0.000 0.218 270 E C 0.328 176.895 176.600 -0.055 0.000 0.977 270 E CA -0.266 56.089 56.400 -0.075 0.000 1.038 270 E CB 0.072 29.736 29.700 -0.060 0.000 1.051 270 E HN 0.314 nan 8.360 nan 0.000 0.487 271 S N 0.047 115.718 115.700 -0.048 0.000 2.562 271 S HA 0.559 5.029 4.470 0.000 0.000 0.275 271 S C 0.994 175.574 174.600 -0.034 0.000 1.281 271 S CA 0.257 58.439 58.200 -0.030 0.000 1.045 271 S CB 1.419 64.612 63.200 -0.013 0.000 0.962 271 S HN 0.292 nan 8.310 nan 0.000 0.503 272 A N 3.396 126.204 122.820 -0.021 0.000 1.929 272 A HA 0.023 4.343 4.320 0.000 0.000 0.216 272 A C 2.256 179.838 177.584 -0.004 0.000 1.176 272 A CA 1.601 53.628 52.037 -0.017 0.000 0.628 272 A CB -1.051 17.944 19.000 -0.009 0.000 0.816 272 A HN 1.099 nan 8.150 nan 0.000 0.444 273 S N -1.501 114.202 115.700 0.005 0.000 2.461 273 S HA -0.009 4.461 4.470 0.000 0.000 0.228 273 S C 1.896 176.515 174.600 0.032 0.000 1.005 273 S CA 1.081 59.292 58.200 0.018 0.000 0.942 273 S CB -0.266 62.946 63.200 0.020 0.000 0.776 273 S HN 0.276 nan 8.310 nan 0.000 0.514 274 M N 2.222 121.838 119.600 0.027 0.000 2.062 274 M HA 0.092 4.572 4.480 0.000 0.000 0.259 274 M C 2.265 178.595 176.300 0.050 0.000 1.076 274 M CA 1.558 56.883 55.300 0.042 0.000 1.122 274 M CB -1.175 31.439 32.600 0.023 0.000 1.312 274 M HN 0.347 nan 8.290 nan 0.000 0.412 275 K N 0.160 120.570 120.400 0.017 0.000 2.049 275 K HA -0.283 4.037 4.320 0.000 0.000 0.219 275 K C 2.113 178.784 176.600 0.118 0.000 1.056 275 K CA 2.223 58.534 56.287 0.040 0.000 0.946 275 K CB -0.302 32.151 32.500 -0.078 0.000 0.723 275 K HN 0.211 nan 8.250 nan 0.000 0.453 276 K N 0.601 121.041 120.400 0.067 0.000 2.103 276 K HA -0.198 4.122 4.320 0.000 0.000 0.207 276 K C 2.315 178.940 176.600 0.042 0.000 1.048 276 K CA 1.305 57.624 56.287 0.055 0.000 0.930 276 K CB -0.107 32.412 32.500 0.032 0.000 0.716 276 K HN 0.121 nan 8.250 nan 0.000 0.444 277 R N 0.429 120.966 120.500 0.061 0.000 2.070 277 R HA -0.103 4.237 4.340 0.000 0.000 0.233 277 R C 2.135 178.510 176.300 0.124 0.000 1.137 277 R CA 1.455 57.603 56.100 0.080 0.000 0.945 277 R CB -0.429 29.946 30.300 0.125 0.000 0.845 277 R HN 0.099 nan 8.270 nan 0.000 0.430 278 V N 1.191 121.205 119.914 0.167 0.000 2.594 278 V HA -0.219 3.901 4.120 0.000 0.000 0.253 278 V C 2.319 178.475 176.094 0.102 0.000 1.069 278 V CA 1.741 64.167 62.300 0.209 0.000 1.082 278 V CB -0.334 31.568 31.823 0.131 0.000 0.680 278 V HN 0.463 nan 8.190 nan 0.000 0.469 279 Q N -0.542 119.270 119.800 0.020 0.000 2.291 279 Q HA -0.113 4.227 4.340 0.000 0.000 0.205 279 Q C 2.122 178.049 176.000 -0.122 0.000 0.970 279 Q CA 1.248 56.982 55.803 -0.116 0.000 0.876 279 Q CB -0.286 28.419 28.738 -0.054 0.000 0.935 279 Q HN 0.713 nan 8.270 nan 0.000 0.455 280 G N -0.699 107.996 108.800 -0.176 0.000 2.471 280 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 280 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 280 G C 0.491 175.118 174.900 -0.456 0.000 1.125 280 G CA 0.480 45.364 45.100 -0.361 0.000 0.775 280 G HN 0.392 nan 8.290 nan 0.000 0.548 281 Y N 0.168 120.436 120.300 -0.054 0.000 2.485 281 Y HA 0.425 4.975 4.550 0.000 0.000 0.260 281 Y C 1.125 176.984 175.900 -0.067 0.000 1.173 281 Y CA -0.515 57.545 58.100 -0.066 0.000 1.252 281 Y CB -0.048 38.365 38.460 -0.079 0.000 1.123 281 Y HN 0.155 nan 8.280 nan 0.000 0.524 282 M N -0.486 119.120 119.600 0.010 0.000 2.393 282 M HA 0.628 5.108 4.480 0.000 0.000 0.316 282 M C -1.556 174.795 176.300 0.084 0.000 1.087 282 M CA -0.854 54.455 55.300 0.015 0.000 0.937 282 M CB 2.299 34.838 32.600 -0.103 0.000 1.668 282 M HN -0.115 nan 8.290 nan 0.000 0.438 283 I N 2.130 122.761 120.570 0.102 0.000 2.336 283 I HA 0.310 4.480 4.170 0.000 0.000 0.292 283 I C 0.253 176.370 176.117 0.001 0.000 0.991 283 I CA -0.242 61.093 61.300 0.057 0.000 1.227 283 I CB 1.916 39.927 38.000 0.018 0.000 1.366 283 I HN 0.852 nan 8.210 nan 0.000 0.466 284 S N 6.287 121.921 115.700 -0.110 0.000 2.513 284 S HA 0.512 4.982 4.470 0.000 0.000 0.276 284 S C -0.587 173.865 174.600 -0.246 0.000 1.254 284 S CA -0.399 57.558 58.200 -0.405 0.000 1.053 284 S CB 0.346 63.299 63.200 -0.413 0.000 0.958 284 S HN 0.715 nan 8.310 nan 0.000 0.491 285 E N 2.614 122.653 120.200 -0.269 0.000 2.392 285 E HA 0.337 4.687 4.350 0.000 0.000 0.279 285 E C -1.121 175.386 176.600 -0.156 0.000 0.964 285 E CA -1.014 55.288 56.400 -0.164 0.000 0.777 285 E CB 0.712 30.341 29.700 -0.119 0.000 1.249 285 E HN 0.601 nan 8.360 nan 0.000 0.449 286 E N 1.244 121.376 120.200 -0.113 0.000 2.608 286 E HA -0.064 4.286 4.350 0.000 0.000 0.259 286 E C -0.471 176.053 176.600 -0.128 0.000 0.951 286 E CA -0.104 56.236 56.400 -0.100 0.000 0.945 286 E CB 0.547 30.206 29.700 -0.068 0.000 0.916 286 E HN 0.615 nan 8.360 nan 0.000 0.477 287 C N 7.739 126.966 119.300 -0.122 0.000 2.651 287 C HA 0.157 4.617 4.460 0.000 0.000 0.410 287 C C -1.315 173.550 174.990 -0.208 0.000 1.372 287 C CA -1.591 57.345 59.018 -0.137 0.000 1.707 287 C CB -0.106 27.572 27.740 -0.102 0.000 2.501 287 C HN 0.692 nan 8.230 nan 0.000 0.598 288 P HA -0.141 nan 4.420 nan 0.000 0.216 288 P C 1.689 178.789 177.300 -0.334 0.000 1.150 288 P CA 1.439 64.371 63.100 -0.281 0.000 0.843 288 P CB 0.054 31.660 31.700 -0.156 0.000 0.787 289 L N -0.579 120.542 121.223 -0.171 0.000 2.022 289 L HA -0.127 4.213 4.340 0.000 0.000 0.204 289 L C 2.468 179.370 176.870 0.053 0.000 1.076 289 L CA 2.064 56.870 54.840 -0.057 0.000 0.749 289 L CB -0.748 41.291 42.059 -0.034 0.000 0.903 289 L HN 0.128 nan 8.230 nan 0.000 0.439 290 C N -2.710 116.605 119.300 0.025 0.000 2.514 290 C HA 0.079 4.539 4.460 0.000 0.000 0.271 290 C C 1.156 176.272 174.990 0.209 0.000 1.399 290 C CA -0.327 58.754 59.018 0.106 0.000 1.765 290 C CB -1.216 26.545 27.740 0.035 0.000 1.893 290 C HN 0.674 nan 8.230 nan 0.000 0.531 291 H N 0.579 119.636 119.070 -0.023 0.000 2.839 291 H HA -0.157 4.399 4.556 0.000 0.000 0.298 291 H C 1.598 176.915 175.328 -0.019 0.000 1.224 291 H CA 0.910 56.946 56.048 -0.020 0.000 1.144 291 H CB -1.634 28.120 29.762 -0.013 0.000 1.372 291 H HN 1.051 nan 8.280 nan 0.000 0.408 292 G N -0.274 108.553 108.800 0.045 0.000 2.268 292 G HA2 -0.321 3.639 3.960 0.000 0.000 0.240 292 G HA3 -0.321 3.639 3.960 0.000 0.000 0.240 292 G C 0.368 175.284 174.900 0.028 0.000 1.010 292 G CA 0.526 45.641 45.100 0.024 0.000 0.618 292 G HN 0.436 nan 8.290 nan 0.000 0.516 293 K N 0.642 121.069 120.400 0.044 0.000 2.350 293 K HA 0.478 4.798 4.320 0.000 0.000 0.279 293 K C 0.842 177.456 176.600 0.023 0.000 1.027 293 K CA -0.202 56.103 56.287 0.030 0.000 0.969 293 K CB 0.664 33.184 32.500 0.034 0.000 0.954 293 K HN 0.317 nan 8.250 nan 0.000 0.474 294 R N 2.416 122.925 120.500 0.014 0.000 2.552 294 R HA 0.244 4.584 4.340 0.000 0.000 0.314 294 R C -0.093 176.211 176.300 0.007 0.000 1.041 294 R CA -0.124 55.983 56.100 0.011 0.000 1.076 294 R CB -0.049 30.260 30.300 0.015 0.000 1.290 294 R HN 0.362 nan 8.270 nan 0.000 0.563 295 L N 0.117 121.340 121.223 0.001 0.000 2.256 295 L HA 0.524 4.864 4.340 0.000 0.000 0.261 295 L C 0.436 177.292 176.870 -0.024 0.000 1.022 295 L CA -1.379 53.452 54.840 -0.016 0.000 0.828 295 L CB 1.321 43.364 42.059 -0.027 0.000 1.374 295 L HN -0.026 nan 8.230 nan 0.000 0.436 296 R N 0.269 120.740 120.500 -0.048 0.000 2.694 296 R HA -0.009 4.331 4.340 0.000 0.000 0.268 296 R C 0.580 176.853 176.300 -0.045 0.000 1.061 296 R CA -0.344 55.728 56.100 -0.046 0.000 1.133 296 R CB 0.478 30.740 30.300 -0.062 0.000 1.020 296 R HN 0.453 nan 8.270 nan 0.000 0.475 297 Q N 2.091 121.878 119.800 -0.023 0.000 2.181 297 Q HA -0.225 4.115 4.340 0.000 0.000 0.205 297 Q C 1.543 177.527 176.000 -0.028 0.000 0.980 297 Q CA 2.195 57.991 55.803 -0.012 0.000 0.862 297 Q CB 0.047 28.788 28.738 0.004 0.000 0.905 297 Q HN 0.736 nan 8.270 nan 0.000 0.429 298 E N -1.604 118.568 120.200 -0.047 0.000 2.208 298 E HA -0.088 4.262 4.350 0.000 0.000 0.193 298 E C 1.698 178.224 176.600 -0.124 0.000 0.988 298 E CA 0.986 57.352 56.400 -0.057 0.000 0.828 298 E CB -0.266 29.408 29.700 -0.043 0.000 0.763 298 E HN 0.300 nan 8.360 nan 0.000 0.478 299 A N 1.012 123.705 122.820 -0.211 0.000 1.970 299 A HA 0.010 4.330 4.320 0.000 0.000 0.216 299 A C 2.103 179.661 177.584 -0.045 0.000 1.170 299 A CA 0.554 52.373 52.037 -0.364 0.000 0.645 299 A CB -0.254 18.415 19.000 -0.553 0.000 0.816 299 A HN 0.208 nan 8.150 nan 0.000 0.447 300 L N 0.643 121.851 121.223 -0.025 0.000 2.141 300 L HA -0.096 4.244 4.340 0.000 0.000 0.209 300 L C 1.685 178.581 176.870 0.044 0.000 1.094 300 L CA 1.403 56.259 54.840 0.028 0.000 0.763 300 L CB -0.997 41.067 42.059 0.009 0.000 0.908 300 L HN 0.342 nan 8.230 nan 0.000 0.437 301 N N -0.971 117.739 118.700 0.017 0.000 2.409 301 N HA -0.029 4.711 4.740 0.000 0.000 0.179 301 N C 0.381 175.893 175.510 0.002 0.000 1.032 301 N CA 0.237 53.294 53.050 0.012 0.000 0.898 301 N CB 0.040 38.530 38.487 0.005 0.000 0.971 301 N HN 0.076 nan 8.380 nan 0.000 0.441 302 V N 1.154 121.069 119.914 0.002 0.000 2.508 302 V HA 0.129 4.249 4.120 0.000 0.000 0.281 302 V C 0.694 176.863 176.094 0.126 0.000 1.041 302 V CA 0.240 62.502 62.300 -0.063 0.000 1.016 302 V CB 1.118 32.898 31.823 -0.072 0.000 0.984 302 V HN 0.032 nan 8.190 nan 0.000 0.478 303 T N 5.055 119.617 114.554 0.014 0.000 2.916 303 T HA 0.734 5.084 4.350 0.000 0.000 0.292 303 T C -1.442 173.199 174.700 -0.099 0.000 1.055 303 T CA -0.385 61.748 62.100 0.055 0.000 1.009 303 T CB 1.336 70.221 68.868 0.028 0.000 1.118 303 T HN 0.500 nan 8.240 nan 0.000 0.497 304 F N 2.141 121.920 119.950 -0.285 0.000 2.588 304 F HA 0.551 5.078 4.527 -0.000 0.000 0.314 304 F C 0.353 176.053 175.800 -0.167 0.000 1.134 304 F CA 0.063 57.833 58.000 -0.384 0.000 0.961 304 F CB 1.047 39.582 39.000 -0.775 0.000 1.239 304 F HN 0.840 nan 8.300 nan 0.000 0.448 305 A N 3.484 125.711 122.820 -0.989 0.000 2.790 305 A HA 0.079 4.399 4.320 0.000 0.000 0.277 305 A C 1.838 179.262 177.584 -0.268 0.000 1.435 305 A CA 1.946 53.591 52.037 -0.652 0.000 0.877 305 A CB -2.198 16.344 19.000 -0.763 0.000 1.007 305 A HN 2.802 nan 8.150 nan 0.000 0.613 306 G N -3.460 105.236 108.800 -0.174 0.000 2.238 306 G HA2 -0.113 3.846 3.960 0.000 0.000 0.217 306 G HA3 -0.113 3.846 3.960 0.000 0.000 0.217 306 G C 0.026 174.917 174.900 -0.014 0.000 0.996 306 G CA 0.139 45.195 45.100 -0.074 0.000 0.632 306 G HN 1.403 nan 8.290 nan 0.000 0.503 307 L N 2.182 123.418 121.223 0.021 0.000 2.317 307 L HA 0.587 4.927 4.340 0.000 0.000 0.281 307 L C 0.459 177.452 176.870 0.205 0.000 1.024 307 L CA -0.922 53.976 54.840 0.097 0.000 0.810 307 L CB 1.309 43.437 42.059 0.114 0.000 1.240 307 L HN 0.379 nan 8.230 nan 0.000 0.427 308 D N 1.305 121.803 120.400 0.163 0.000 2.363 308 D HA -0.008 4.632 4.640 0.000 0.000 0.240 308 D C 1.017 177.385 176.300 0.112 0.000 1.236 308 D CA -0.212 53.906 54.000 0.195 0.000 0.927 308 D CB 1.247 42.107 40.800 0.100 0.000 1.150 308 D HN 0.560 nan 8.370 nan 0.000 0.458 309 I N -0.211 120.263 120.570 -0.159 0.000 2.361 309 I HA -0.255 3.915 4.170 0.000 0.000 0.251 309 I C 1.547 177.555 176.117 -0.181 0.000 1.133 309 I CA 1.171 62.155 61.300 -0.526 0.000 1.413 309 I CB -0.084 37.381 38.000 -0.893 0.000 1.073 309 I HN 0.507 nan 8.210 nan 0.000 0.424 310 T N 0.526 115.032 114.554 -0.080 0.000 2.777 310 T HA -0.158 4.192 4.350 0.000 0.000 0.266 310 T C 1.594 176.292 174.700 -0.003 0.000 1.040 310 T CA 1.535 63.617 62.100 -0.030 0.000 1.141 310 T CB -0.186 68.678 68.868 -0.007 0.000 0.868 310 T HN 0.487 nan 8.240 nan 0.000 0.444 311 E N 0.658 120.868 120.200 0.017 0.000 2.208 311 E HA 0.024 4.374 4.350 0.000 0.000 0.193 311 E C 2.079 178.707 176.600 0.046 0.000 0.988 311 E CA 0.339 56.759 56.400 0.033 0.000 0.828 311 E CB -0.072 29.654 29.700 0.042 0.000 0.763 311 E HN 0.222 nan 8.360 nan 0.000 0.478 312 L N 0.673 121.933 121.223 0.061 0.000 2.131 312 L HA -0.006 4.334 4.340 0.000 0.000 0.206 312 L C 1.779 178.673 176.870 0.040 0.000 1.087 312 L CA 1.457 56.349 54.840 0.085 0.000 0.767 312 L CB -0.389 41.770 42.059 0.167 0.000 0.917 312 L HN 0.003 nan 8.230 nan 0.000 0.441 313 S N 0.249 115.950 115.700 0.002 0.000 2.603 313 S HA -0.036 4.434 4.470 0.000 0.000 0.229 313 S C 1.420 176.023 174.600 0.004 0.000 0.972 313 S CA 0.323 58.517 58.200 -0.009 0.000 0.935 313 S CB -0.211 62.969 63.200 -0.033 0.000 0.769 313 S HN 0.578 nan 8.310 nan 0.000 0.536 314 R N 0.325 120.834 120.500 0.015 0.000 2.432 314 R HA 0.357 4.697 4.340 0.000 0.000 0.260 314 R C -0.001 176.315 176.300 0.027 0.000 0.935 314 R CA -0.155 55.957 56.100 0.020 0.000 1.080 314 R CB -0.101 30.211 30.300 0.020 0.000 1.155 314 R HN 0.235 nan 8.270 nan 0.000 0.531 315 L N 2.090 123.331 121.223 0.030 0.000 2.379 315 L HA 0.443 4.783 4.340 0.000 0.000 0.269 315 L C -2.136 174.752 176.870 0.030 0.000 1.084 315 L CA -2.616 52.245 54.840 0.035 0.000 0.802 315 L CB 0.831 42.917 42.059 0.045 0.000 1.175 315 L HN -0.190 nan 8.230 nan 0.000 0.448 316 P HA 0.033 nan 4.420 nan 0.000 0.268 316 P C 0.882 178.192 177.300 0.017 0.000 1.204 316 P CA -0.061 63.058 63.100 0.032 0.000 0.768 316 P CB 0.516 32.249 31.700 0.056 0.000 0.842 317 L N 2.111 123.328 121.223 -0.010 0.000 2.211 317 L HA -0.322 4.018 4.340 0.000 0.000 0.216 317 L C 2.194 179.064 176.870 0.000 0.000 1.092 317 L CA 2.024 56.854 54.840 -0.017 0.000 0.767 317 L CB -0.846 41.181 42.059 -0.052 0.000 0.894 317 L HN 0.458 nan 8.230 nan 0.000 0.437 318 A N -0.345 122.484 122.820 0.015 0.000 1.897 318 A HA -0.140 4.180 4.320 0.000 0.000 0.215 318 A C 2.336 179.940 177.584 0.035 0.000 1.181 318 A CA 0.985 53.039 52.037 0.028 0.000 0.620 318 A CB -0.250 18.778 19.000 0.048 0.000 0.821 318 A HN 0.246 nan 8.150 nan 0.000 0.443 319 R N -0.182 120.342 120.500 0.040 0.000 2.075 319 R HA -0.055 4.285 4.340 0.000 0.000 0.232 319 R C 2.093 178.427 176.300 0.058 0.000 1.126 319 R CA 1.361 57.489 56.100 0.046 0.000 0.963 319 R CB -1.639 28.688 30.300 0.046 0.000 0.858 319 R HN 0.396 nan 8.270 nan 0.000 0.435 320 V N 1.091 121.039 119.914 0.056 0.000 2.324 320 V HA -0.261 3.859 4.120 0.000 0.000 0.250 320 V C 2.572 178.707 176.094 0.068 0.000 1.060 320 V CA 2.262 64.604 62.300 0.071 0.000 1.042 320 V CB -0.708 31.142 31.823 0.045 0.000 0.650 320 V HN 0.376 nan 8.190 nan 0.000 0.450 321 S N 0.006 115.730 115.700 0.039 0.000 2.383 321 S HA -0.230 4.240 4.470 0.000 0.000 0.227 321 S C 2.017 176.647 174.600 0.050 0.000 1.026 321 S CA 1.732 59.950 58.200 0.030 0.000 0.981 321 S CB -0.304 62.898 63.200 0.004 0.000 0.818 321 S HN 0.890 nan 8.310 nan 0.000 0.472 322 E N 0.822 121.053 120.200 0.053 0.000 2.358 322 E HA -0.073 4.277 4.350 0.000 0.000 0.195 322 E C 1.842 178.486 176.600 0.072 0.000 1.010 322 E CA 0.919 57.349 56.400 0.051 0.000 0.856 322 E CB -0.333 29.390 29.700 0.038 0.000 0.795 322 E HN 0.663 nan 8.360 nan 0.000 0.504 323 L N -1.595 119.695 121.223 0.112 0.000 2.354 323 L HA 0.167 4.507 4.340 0.000 0.000 0.212 323 L C 2.009 179.075 176.870 0.326 0.000 1.091 323 L CA 0.404 55.348 54.840 0.172 0.000 0.828 323 L CB -0.422 41.725 42.059 0.148 0.000 0.973 323 L HN -0.019 nan 8.230 nan 0.000 0.461 324 L N 0.430 121.822 121.223 0.282 0.000 2.217 324 L HA 0.021 4.361 4.340 0.000 0.000 0.211 324 L C 2.846 179.862 176.870 0.242 0.000 1.107 324 L CA 1.465 56.481 54.840 0.292 0.000 0.783 324 L CB -0.959 41.172 42.059 0.120 0.000 0.919 324 L HN 0.474 nan 8.230 nan 0.000 0.442 325 R N 0.404 120.987 120.500 0.139 0.000 2.073 325 R HA -0.109 4.231 4.340 0.000 0.000 0.234 325 R C -0.593 175.724 176.300 0.028 0.000 1.134 325 R CA 1.484 57.623 56.100 0.064 0.000 0.952 325 R CB -1.612 28.708 30.300 0.034 0.000 0.850 325 R HN 0.193 nan 8.270 nan 0.000 0.433 326 P HA -0.161 nan 4.420 nan 0.000 0.215 326 P C 0.625 177.810 177.300 -0.191 0.000 1.157 326 P CA 1.534 64.538 63.100 -0.160 0.000 0.874 326 P CB -0.188 31.334 31.700 -0.297 0.000 0.790 327 Y N -0.359 119.945 120.300 0.006 0.000 2.224 327 Y HA -0.142 4.408 4.550 0.000 0.000 0.289 327 Y C 2.608 178.492 175.900 -0.026 0.000 1.146 327 Y CA 1.143 59.248 58.100 0.009 0.000 1.182 327 Y CB -1.328 37.182 38.460 0.083 0.000 0.983 327 Y HN -0.093 nan 8.280 nan 0.000 0.524 328 A N 0.361 123.257 122.820 0.127 0.000 1.902 328 A HA -0.211 4.109 4.320 0.000 0.000 0.217 328 A C 1.878 179.457 177.584 -0.008 0.000 1.181 328 A CA 1.940 54.003 52.037 0.044 0.000 0.623 328 A CB -0.527 18.490 19.000 0.028 0.000 0.818 328 A HN 0.535 nan 8.150 nan 0.000 0.443 329 E N -0.870 119.307 120.200 -0.038 0.000 2.489 329 E HA 0.080 4.430 4.350 0.000 0.000 0.193 329 E C -0.499 176.017 176.600 -0.140 0.000 1.057 329 E CA 0.209 56.567 56.400 -0.070 0.000 0.866 329 E CB 0.036 29.701 29.700 -0.059 0.000 0.916 329 E HN 0.634 nan 8.360 nan 0.000 0.500 330 E N -0.009 120.061 120.200 -0.217 0.000 2.513 330 E HA -0.251 4.099 4.350 0.000 0.000 0.257 330 E C 0.155 176.444 176.600 -0.518 0.000 1.098 330 E CA 0.221 56.318 56.400 -0.505 0.000 0.752 330 E CB -0.897 28.523 29.700 -0.466 0.000 1.324 330 E HN 0.236 nan 8.360 nan 0.000 0.403 331 R N 0.121 120.429 120.500 -0.320 0.000 2.596 331 R HA 0.087 4.427 4.340 0.000 0.000 0.369 331 R C -0.272 175.908 176.300 -0.200 0.000 1.042 331 R CA -0.197 55.777 56.100 -0.209 0.000 1.120 331 R CB 0.438 30.655 30.300 -0.138 0.000 1.353 331 R HN 0.137 nan 8.270 nan 0.000 0.564 332 E N 1.464 121.493 120.200 -0.284 0.000 2.390 332 E HA 0.143 4.493 4.350 0.000 0.000 0.261 332 E C -2.415 174.102 176.600 -0.137 0.000 1.076 332 E CA -2.155 54.061 56.400 -0.307 0.000 0.905 332 E CB -0.243 29.077 29.700 -0.634 0.000 0.984 332 E HN -0.182 nan 8.360 nan 0.000 0.427 333 P HA 0.064 nan 4.420 nan 0.000 0.262 333 P C 0.356 177.648 177.300 -0.012 0.000 1.182 333 P CA 1.175 64.245 63.100 -0.050 0.000 0.761 333 P CB 0.346 32.016 31.700 -0.050 0.000 0.795 334 G N 2.147 110.954 108.800 0.011 0.000 2.295 334 G HA2 -0.323 3.637 3.960 0.000 0.000 0.287 334 G HA3 -0.323 3.637 3.960 0.000 0.000 0.287 334 G C 0.962 175.890 174.900 0.047 0.000 1.055 334 G CA 0.457 45.569 45.100 0.021 0.000 0.922 334 G HN 0.821 nan 8.290 nan 0.000 0.503 335 H N -0.275 118.778 119.070 -0.028 0.000 2.326 335 H HA 0.042 4.598 4.556 0.000 0.000 0.301 335 H C 2.672 178.001 175.328 0.001 0.000 1.081 335 H CA 1.785 57.824 56.048 -0.015 0.000 1.334 335 H CB -0.005 29.739 29.762 -0.030 0.000 1.385 335 H HN 0.641 nan 8.280 nan 0.000 0.504 336 A N 0.832 123.567 122.820 -0.141 0.000 2.019 336 A HA -0.147 4.173 4.320 0.000 0.000 0.219 336 A C 2.056 179.554 177.584 -0.143 0.000 1.164 336 A CA 1.649 53.577 52.037 -0.183 0.000 0.644 336 A CB -0.222 18.748 19.000 -0.050 0.000 0.805 336 A HN 0.537 nan 8.150 nan 0.000 0.449 337 E N -0.517 119.630 120.200 -0.089 0.000 2.435 337 E HA 0.032 4.382 4.350 0.000 0.000 0.195 337 E C 2.013 178.577 176.600 -0.060 0.000 1.029 337 E CA 0.416 56.782 56.400 -0.057 0.000 0.865 337 E CB -0.025 29.658 29.700 -0.028 0.000 0.833 337 E HN 0.581 nan 8.360 nan 0.000 0.510 338 R N 0.191 120.638 120.500 -0.087 0.000 2.080 338 R HA -0.006 4.334 4.340 0.000 0.000 0.222 338 R C 2.395 178.640 176.300 -0.091 0.000 1.107 338 R CA 1.225 57.290 56.100 -0.059 0.000 0.980 338 R CB -0.327 29.970 30.300 -0.005 0.000 0.879 338 R HN 0.247 nan 8.270 nan 0.000 0.439 339 V N -0.195 119.601 119.914 -0.197 0.000 2.626 339 V HA -0.133 3.987 4.120 0.000 0.000 0.252 339 V C 2.061 178.101 176.094 -0.090 0.000 1.067 339 V CA 1.679 63.887 62.300 -0.153 0.000 1.081 339 V CB -0.384 31.304 31.823 -0.226 0.000 0.686 339 V HN 0.133 nan 8.190 nan 0.000 0.468 340 K N 0.664 121.012 120.400 -0.087 0.000 2.103 340 K HA -0.043 4.277 4.320 0.000 0.000 0.204 340 K C 1.954 178.533 176.600 -0.035 0.000 1.052 340 K CA 1.783 58.038 56.287 -0.053 0.000 0.945 340 K CB -0.104 32.367 32.500 -0.048 0.000 0.722 340 K HN 0.630 nan 8.250 nan 0.000 0.443 341 N N -0.285 118.395 118.700 -0.033 0.000 2.414 341 N HA 0.039 4.779 4.740 0.000 0.000 0.177 341 N C -0.216 175.286 175.510 -0.013 0.000 1.062 341 N CA 0.330 53.369 53.050 -0.019 0.000 0.890 341 N CB 0.734 39.212 38.487 -0.014 0.000 1.070 341 N HN -0.001 nan 8.380 nan 0.000 0.454 342 R N 0.721 121.213 120.500 -0.014 0.000 2.687 342 R HA 0.231 4.571 4.340 0.000 0.000 0.264 342 R C -2.174 174.122 176.300 -0.006 0.000 1.715 342 R CA -1.095 55.002 56.100 -0.005 0.000 1.633 342 R CB 1.641 31.945 30.300 0.007 0.000 1.353 342 R HN 0.001 nan 8.270 nan 0.000 0.653 343 P HA -0.171 nan 4.420 nan 0.000 0.217 343 P C 1.200 178.503 177.300 0.005 0.000 1.150 343 P CA 1.081 64.175 63.100 -0.010 0.000 0.832 343 P CB 0.491 32.184 31.700 -0.011 0.000 0.787 344 E N -0.148 120.054 120.200 0.004 0.000 2.158 344 E HA -0.176 4.174 4.350 0.000 0.000 0.191 344 E C 2.076 178.683 176.600 0.012 0.000 0.982 344 E CA 1.112 57.516 56.400 0.007 0.000 0.823 344 E CB -1.021 28.680 29.700 0.001 0.000 0.766 344 E HN 0.084 nan 8.360 nan 0.000 0.468 345 Q N -0.065 119.743 119.800 0.014 0.000 2.119 345 Q HA -0.064 4.276 4.340 0.000 0.000 0.201 345 Q C 1.890 177.915 176.000 0.041 0.000 0.972 345 Q CA 1.439 57.254 55.803 0.020 0.000 0.847 345 Q CB -0.175 28.577 28.738 0.023 0.000 0.903 345 Q HN 0.331 nan 8.270 nan 0.000 0.433 346 A N 0.880 123.734 122.820 0.057 0.000 1.877 346 A HA -0.163 4.157 4.320 0.000 0.000 0.216 346 A C 2.135 179.782 177.584 0.104 0.000 1.186 346 A CA 1.278 53.378 52.037 0.106 0.000 0.620 346 A CB -0.668 18.380 19.000 0.080 0.000 0.822 346 A HN 0.403 nan 8.150 nan 0.000 0.443 347 I N -0.289 120.320 120.570 0.064 0.000 2.127 347 I HA -0.307 3.863 4.170 0.000 0.000 0.241 347 I C 3.010 179.147 176.117 0.034 0.000 1.075 347 I CA 1.221 62.551 61.300 0.050 0.000 1.334 347 I CB -0.381 37.638 38.000 0.030 0.000 1.040 347 I HN 0.371 nan 8.210 nan 0.000 0.405 348 A N 0.684 123.515 122.820 0.018 0.000 1.835 348 A HA -0.220 4.100 4.320 0.000 0.000 0.215 348 A C 2.373 179.945 177.584 -0.021 0.000 1.199 348 A CA 1.558 53.592 52.037 -0.004 0.000 0.615 348 A CB -1.150 17.843 19.000 -0.011 0.000 0.838 348 A HN 0.416 nan 8.150 nan 0.000 0.444 349 L N -0.756 120.452 121.223 -0.025 0.000 2.054 349 L HA -0.331 4.009 4.340 0.000 0.000 0.220 349 L C 2.945 179.807 176.870 -0.014 0.000 1.081 349 L CA 2.388 57.193 54.840 -0.058 0.000 0.780 349 L CB -0.303 41.739 42.059 -0.029 0.000 0.893 349 L HN 0.587 nan 8.230 nan 0.000 0.438 350 Q N 0.013 119.843 119.800 0.050 0.000 2.084 350 Q HA -0.261 4.079 4.340 0.000 0.000 0.202 350 Q C 2.265 178.275 176.000 0.017 0.000 0.978 350 Q CA 1.698 57.538 55.803 0.062 0.000 0.844 350 Q CB -0.278 28.508 28.738 0.080 0.000 0.898 350 Q HN 0.467 nan 8.270 nan 0.000 0.426 351 R N -0.334 120.167 120.500 0.002 0.000 2.070 351 R HA -0.075 4.265 4.340 0.000 0.000 0.233 351 R C 2.437 178.715 176.300 -0.036 0.000 1.137 351 R CA 1.650 57.742 56.100 -0.013 0.000 0.945 351 R CB -0.218 30.076 30.300 -0.011 0.000 0.845 351 R HN 0.317 nan 8.270 nan 0.000 0.430 352 M N -0.357 119.210 119.600 -0.055 0.000 2.229 352 M HA -0.066 4.414 4.480 0.000 0.000 0.264 352 M C 2.355 178.590 176.300 -0.107 0.000 1.063 352 M CA 1.561 56.808 55.300 -0.088 0.000 1.114 352 M CB -0.068 32.462 32.600 -0.117 0.000 1.387 352 M HN 0.248 nan 8.290 nan 0.000 0.420 353 A N 0.276 123.040 122.820 -0.094 0.000 1.929 353 A HA 0.036 4.356 4.320 0.000 0.000 0.216 353 A C 2.347 179.906 177.584 -0.042 0.000 1.176 353 A CA 1.602 53.596 52.037 -0.073 0.000 0.628 353 A CB -0.791 18.208 19.000 -0.003 0.000 0.816 353 A HN 0.462 nan 8.150 nan 0.000 0.444 354 A N 1.195 123.997 122.820 -0.031 0.000 1.933 354 A HA -0.185 4.135 4.320 0.000 0.000 0.218 354 A C 1.661 179.210 177.584 -0.058 0.000 1.175 354 A CA 2.071 54.089 52.037 -0.031 0.000 0.628 354 A CB -0.671 18.317 19.000 -0.020 0.000 0.814 354 A HN 0.687 nan 8.150 nan 0.000 0.444 355 D N -0.699 119.655 120.400 -0.076 0.000 2.289 355 D HA 0.017 4.657 4.640 0.000 0.000 0.207 355 D C 1.630 177.839 176.300 -0.152 0.000 0.966 355 D CA 0.366 54.301 54.000 -0.109 0.000 0.868 355 D CB -0.402 40.338 40.800 -0.101 0.000 0.943 355 D HN 0.419 nan 8.370 nan 0.000 0.514 356 L N 0.309 121.454 121.223 -0.130 0.000 2.005 356 L HA -0.122 4.218 4.340 0.000 0.000 0.207 356 L C 2.467 179.263 176.870 -0.124 0.000 1.072 356 L CA 0.807 55.565 54.840 -0.137 0.000 0.744 356 L CB -0.274 41.716 42.059 -0.116 0.000 0.895 356 L HN -0.007 nan 8.230 nan 0.000 0.433 357 V N 0.108 119.971 119.914 -0.085 0.000 2.332 357 V HA -0.333 3.787 4.120 0.000 0.000 0.248 357 V C 2.591 178.630 176.094 -0.091 0.000 1.055 357 V CA 1.825 64.086 62.300 -0.065 0.000 1.038 357 V CB -0.698 31.108 31.823 -0.028 0.000 0.651 357 V HN 0.457 nan 8.190 nan 0.000 0.450 358 K N 0.357 120.694 120.400 -0.105 0.000 2.147 358 K HA -0.171 4.149 4.320 0.000 0.000 0.205 358 K C 2.296 178.805 176.600 -0.152 0.000 1.049 358 K CA 1.583 57.806 56.287 -0.106 0.000 0.936 358 K CB -0.067 32.379 32.500 -0.091 0.000 0.722 358 K HN 0.395 nan 8.250 nan 0.000 0.446 359 R N -0.017 120.324 120.500 -0.265 0.000 2.100 359 R HA 0.123 4.463 4.340 0.000 0.000 0.220 359 R C 2.452 178.666 176.300 -0.143 0.000 1.091 359 R CA 0.526 56.379 56.100 -0.411 0.000 0.986 359 R CB -0.133 29.675 30.300 -0.820 0.000 0.888 359 R HN 0.106 nan 8.270 nan 0.000 0.444 360 L N 0.801 121.943 121.223 -0.134 0.000 2.191 360 L HA -0.196 4.144 4.340 0.000 0.000 0.212 360 L C 1.479 178.277 176.870 -0.120 0.000 1.103 360 L CA 0.956 55.743 54.840 -0.087 0.000 0.769 360 L CB -0.286 41.728 42.059 -0.075 0.000 0.908 360 L HN 0.155 nan 8.230 nan 0.000 0.438 361 D N -0.558 119.740 120.400 -0.170 0.000 2.123 361 D HA -0.117 4.523 4.640 0.000 0.000 0.200 361 D C 2.326 178.330 176.300 -0.493 0.000 0.976 361 D CA 0.984 54.769 54.000 -0.358 0.000 0.831 361 D CB 0.018 40.648 40.800 -0.283 0.000 0.974 361 D HN 0.050 nan 8.370 nan 0.000 0.469 362 V N 1.266 121.081 119.914 -0.166 0.000 2.255 362 V HA -0.223 3.897 4.120 0.000 0.000 0.247 362 V C 2.549 178.640 176.094 -0.006 0.000 1.051 362 V CA 1.045 63.337 62.300 -0.014 0.000 1.018 362 V CB -0.358 31.561 31.823 0.160 0.000 0.641 362 V HN 0.229 nan 8.190 nan 0.000 0.445 363 L N -0.897 120.329 121.223 0.005 0.000 2.017 363 L HA -0.153 4.187 4.340 0.000 0.000 0.208 363 L C 2.398 179.259 176.870 -0.014 0.000 1.073 363 L CA 1.904 56.743 54.840 -0.002 0.000 0.745 363 L CB -1.418 40.638 42.059 -0.005 0.000 0.894 363 L HN 0.305 nan 8.230 nan 0.000 0.432 364 L N -1.018 120.172 121.223 -0.055 0.000 2.131 364 L HA -0.214 4.126 4.340 0.000 0.000 0.210 364 L C 2.684 179.625 176.870 0.118 0.000 1.092 364 L CA 1.428 56.266 54.840 -0.004 0.000 0.759 364 L CB -0.947 41.087 42.059 -0.041 0.000 0.903 364 L HN 0.315 nan 8.230 nan 0.000 0.435 365 H N -1.374 117.716 119.070 0.033 0.000 2.357 365 H HA 0.040 4.596 4.556 0.000 0.000 0.301 365 H C 1.225 176.572 175.328 0.031 0.000 1.082 365 H CA 0.200 56.268 56.048 0.032 0.000 1.342 365 H CB -0.460 29.320 29.762 0.030 0.000 1.389 365 H HN 0.079 nan 8.280 nan 0.000 0.511 366 L N -0.596 120.716 121.223 0.149 0.000 2.348 366 L HA 0.125 4.465 4.340 0.000 0.000 0.200 366 L C 1.869 178.799 176.870 0.101 0.000 1.154 366 L CA 1.160 56.053 54.840 0.088 0.000 0.856 366 L CB -0.014 42.072 42.059 0.045 0.000 1.297 366 L HN 0.279 nan 8.230 nan 0.000 0.550 367 G N -0.600 108.263 108.800 0.105 0.000 4.291 367 G HA2 0.427 4.387 3.960 0.000 0.000 0.304 367 G HA3 0.427 4.387 3.960 0.000 0.000 0.304 367 G C 0.283 175.308 174.900 0.209 0.000 1.264 367 G CA -0.202 44.993 45.100 0.159 0.000 1.039 367 G HN 0.358 nan 8.290 nan 0.000 0.578 368 L N 0.146 121.389 121.223 0.034 0.000 2.769 368 L HA 0.269 4.609 4.340 0.000 0.000 0.240 368 L C 2.307 178.983 176.870 -0.322 0.000 1.163 368 L CA 0.061 54.756 54.840 -0.241 0.000 0.962 368 L CB 0.955 42.897 42.059 -0.195 0.000 1.258 368 L HN 0.249 nan 8.230 nan 0.000 0.513 369 G N -0.001 108.747 108.800 -0.088 0.000 2.653 369 G HA2 -0.266 3.694 3.960 0.000 0.000 0.212 369 G HA3 -0.266 3.694 3.960 0.000 0.000 0.212 369 G C 1.156 176.046 174.900 -0.016 0.000 1.138 369 G CA 0.482 45.555 45.100 -0.044 0.000 0.782 369 G HN 0.630 nan 8.290 nan 0.000 0.535 370 Y N -0.880 119.433 120.300 0.022 0.000 2.511 370 Y HA 0.549 5.099 4.550 -0.000 0.000 0.279 370 Y C 0.782 176.695 175.900 0.022 0.000 1.157 370 Y CA -1.052 57.062 58.100 0.022 0.000 1.300 370 Y CB -0.188 38.285 38.460 0.022 0.000 1.052 370 Y HN -0.058 nan 8.280 nan 0.000 0.529 371 L N 1.098 122.121 121.223 -0.334 0.000 2.399 371 L HA 0.637 4.977 4.340 0.000 0.000 0.265 371 L C 0.890 177.718 176.870 -0.070 0.000 1.089 371 L CA -0.676 54.054 54.840 -0.184 0.000 0.802 371 L CB 0.970 42.858 42.059 -0.285 0.000 1.180 371 L HN 0.279 nan 8.230 nan 0.000 0.454 372 G N 0.208 108.993 108.800 -0.024 0.000 2.462 372 G HA2 0.474 4.434 3.960 0.000 0.000 0.319 372 G HA3 0.474 4.434 3.960 0.000 0.000 0.319 372 G C 0.660 175.549 174.900 -0.019 0.000 1.171 372 G CA -0.751 44.344 45.100 -0.008 0.000 0.920 372 G HN 0.692 nan 8.290 nan 0.000 0.499 373 L N -0.757 120.458 121.223 -0.013 0.000 2.418 373 L HA 0.179 4.519 4.340 0.000 0.000 0.218 373 L C 1.603 178.468 176.870 -0.009 0.000 1.125 373 L CA 0.850 55.681 54.840 -0.015 0.000 0.835 373 L CB -0.363 41.685 42.059 -0.018 0.000 0.953 373 L HN 0.523 nan 8.230 nan 0.000 0.454 374 D N 0.565 120.963 120.400 -0.003 0.000 2.348 374 D HA -0.123 4.517 4.640 0.000 0.000 0.211 374 D C 1.233 177.537 176.300 0.007 0.000 0.998 374 D CA -0.134 53.867 54.000 0.002 0.000 0.873 374 D CB -0.163 40.640 40.800 0.004 0.000 0.925 374 D HN 0.138 nan 8.370 nan 0.000 0.524 375 R N 1.149 121.653 120.500 0.007 0.000 2.486 375 R HA 0.069 4.409 4.340 0.000 0.000 0.303 375 R C -0.228 176.079 176.300 0.011 0.000 0.958 375 R CA 0.014 56.122 56.100 0.012 0.000 1.077 375 R CB -0.156 30.149 30.300 0.009 0.000 0.921 375 R HN -0.097 nan 8.270 nan 0.000 0.406 376 S N 2.261 117.971 115.700 0.017 0.000 2.549 376 S HA 0.020 4.490 4.470 0.000 0.000 0.279 376 S C 1.234 175.844 174.600 0.016 0.000 1.321 376 S CA 0.062 58.272 58.200 0.016 0.000 1.054 376 S CB 0.757 63.969 63.200 0.020 0.000 0.899 376 S HN 0.803 nan 8.310 nan 0.000 0.497 377 T N 2.502 117.063 114.554 0.012 0.000 2.867 377 T HA 0.033 4.383 4.350 0.000 0.000 0.268 377 T C -1.221 173.487 174.700 0.013 0.000 1.057 377 T CA 0.583 62.689 62.100 0.010 0.000 1.136 377 T CB -1.336 67.536 68.868 0.005 0.000 0.874 377 T HN 0.473 nan 8.240 nan 0.000 0.466 378 P HA -0.003 nan 4.420 nan 0.000 0.225 378 P C 1.522 178.834 177.300 0.021 0.000 1.148 378 P CA 1.179 64.288 63.100 0.016 0.000 0.779 378 P CB -0.441 31.269 31.700 0.018 0.000 0.780 379 T N -4.492 110.077 114.554 0.025 0.000 3.107 379 T HA 0.185 4.535 4.350 0.000 0.000 0.249 379 T C 0.462 175.185 174.700 0.038 0.000 1.096 379 T CA -0.094 62.026 62.100 0.032 0.000 1.012 379 T CB -0.612 68.277 68.868 0.035 0.000 0.977 379 T HN -0.174 nan 8.240 nan 0.000 0.527 380 L N 2.834 124.076 121.223 0.032 0.000 2.379 380 L HA 0.524 4.864 4.340 0.000 0.000 0.269 380 L C 0.835 177.725 176.870 0.032 0.000 1.084 380 L CA -0.283 54.579 54.840 0.036 0.000 0.802 380 L CB 1.563 43.635 42.059 0.022 0.000 1.175 380 L HN 0.339 nan 8.230 nan 0.000 0.448 381 S N 1.719 117.443 115.700 0.040 0.000 2.624 381 S HA 0.376 4.846 4.470 0.000 0.000 0.263 381 S C -1.949 172.657 174.600 0.011 0.000 1.287 381 S CA -0.872 57.345 58.200 0.028 0.000 0.990 381 S CB 0.897 64.118 63.200 0.035 0.000 0.950 381 S HN 0.483 nan 8.310 nan 0.000 0.561 382 P HA 0.110 nan 4.420 nan 0.000 0.216 382 P C 1.716 179.008 177.300 -0.013 0.000 1.153 382 P CA 1.407 64.501 63.100 -0.011 0.000 0.844 382 P CB -0.493 31.196 31.700 -0.018 0.000 0.787 383 G N -0.092 108.697 108.800 -0.018 0.000 2.422 383 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 383 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 383 G C 1.609 176.503 174.900 -0.009 0.000 1.146 383 G CA 0.638 45.725 45.100 -0.022 0.000 0.769 383 G HN 0.259 nan 8.290 nan 0.000 0.547 384 E N -0.081 120.122 120.200 0.005 0.000 2.058 384 E HA -0.149 4.201 4.350 0.000 0.000 0.194 384 E C 2.461 179.060 176.600 -0.001 0.000 0.997 384 E CA 1.341 57.755 56.400 0.023 0.000 0.801 384 E CB -0.115 29.617 29.700 0.053 0.000 0.746 384 E HN 0.427 nan 8.360 nan 0.000 0.450 385 L N -0.027 121.193 121.223 -0.005 0.000 2.270 385 L HA 0.001 4.341 4.340 0.000 0.000 0.210 385 L C 2.018 178.874 176.870 -0.022 0.000 1.104 385 L CA 1.557 56.388 54.840 -0.015 0.000 0.804 385 L CB -1.350 40.703 42.059 -0.010 0.000 0.937 385 L HN 0.100 nan 8.230 nan 0.000 0.450 386 Q N 0.121 119.909 119.800 -0.020 0.000 2.170 386 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 386 Q C 2.356 178.334 176.000 -0.037 0.000 0.976 386 Q CA 1.514 57.303 55.803 -0.023 0.000 0.858 386 Q CB 0.083 28.814 28.738 -0.012 0.000 0.907 386 Q HN 0.554 nan 8.270 nan 0.000 0.433 387 R N -0.379 120.103 120.500 -0.031 0.000 2.119 387 R HA 0.013 4.353 4.340 0.000 0.000 0.222 387 R C 2.292 178.561 176.300 -0.052 0.000 1.088 387 R CA 0.654 56.732 56.100 -0.037 0.000 0.984 387 R CB -0.005 30.286 30.300 -0.016 0.000 0.884 387 R HN 0.314 nan 8.270 nan 0.000 0.447 388 L N -0.116 121.079 121.223 -0.048 0.000 2.083 388 L HA -0.181 4.159 4.340 0.000 0.000 0.209 388 L C 2.529 179.353 176.870 -0.076 0.000 1.083 388 L CA 1.302 56.109 54.840 -0.055 0.000 0.752 388 L CB -0.257 41.776 42.059 -0.043 0.000 0.899 388 L HN 0.112 nan 8.230 nan 0.000 0.433 389 R N 0.174 120.630 120.500 -0.073 0.000 2.090 389 R HA -0.127 4.213 4.340 0.000 0.000 0.228 389 R C 2.220 178.433 176.300 -0.145 0.000 1.110 389 R CA 1.024 57.071 56.100 -0.089 0.000 0.973 389 R CB -0.286 29.981 30.300 -0.056 0.000 0.869 389 R HN 0.249 nan 8.270 nan 0.000 0.440 390 L N -0.331 120.805 121.223 -0.145 0.000 1.976 390 L HA -0.114 4.226 4.340 0.000 0.000 0.209 390 L C 2.192 178.922 176.870 -0.234 0.000 1.071 390 L CA 1.712 56.432 54.840 -0.200 0.000 0.746 390 L CB -0.575 41.399 42.059 -0.141 0.000 0.890 390 L HN 0.351 nan 8.230 nan 0.000 0.432 391 A N -0.849 121.863 122.820 -0.180 0.000 1.927 391 A HA -0.276 4.044 4.320 0.000 0.000 0.220 391 A C 2.200 179.511 177.584 -0.455 0.000 1.185 391 A CA 2.630 54.550 52.037 -0.195 0.000 0.639 391 A CB -1.193 17.757 19.000 -0.083 0.000 0.820 391 A HN 0.547 nan 8.150 nan 0.000 0.451 392 T N -0.363 113.914 114.554 -0.462 0.000 2.867 392 T HA -0.104 4.246 4.350 0.000 0.000 0.268 392 T C 1.958 176.248 174.700 -0.684 0.000 1.057 392 T CA 1.412 63.091 62.100 -0.701 0.000 1.136 392 T CB -0.182 68.522 68.868 -0.274 0.000 0.874 392 T HN 0.450 nan 8.240 nan 0.000 0.466 393 Q N 0.621 120.164 119.800 -0.427 0.000 2.297 393 Q HA 0.177 4.517 4.340 0.000 0.000 0.204 393 Q C 2.229 178.054 176.000 -0.292 0.000 0.962 393 Q CA 0.657 56.274 55.803 -0.309 0.000 0.879 393 Q CB -0.436 28.063 28.738 -0.398 0.000 0.947 393 Q HN 0.494 nan 8.270 nan 0.000 0.462 394 L N 0.074 121.080 121.223 -0.362 0.000 2.376 394 L HA -0.124 4.216 4.340 0.000 0.000 0.219 394 L C 1.063 177.895 176.870 -0.063 0.000 1.133 394 L CA 0.753 55.478 54.840 -0.191 0.000 0.816 394 L CB -0.133 41.846 42.059 -0.133 0.000 0.933 394 L HN 0.304 nan 8.230 nan 0.000 0.449 395 Y N -2.680 117.613 120.300 -0.011 0.000 2.660 395 Y HA 0.384 4.934 4.550 -0.000 0.000 0.254 395 Y C 0.997 176.905 175.900 0.013 0.000 1.176 395 Y CA -1.248 56.853 58.100 0.002 0.000 1.195 395 Y CB -1.013 37.443 38.460 -0.007 0.000 1.190 395 Y HN -0.003 nan 8.280 nan 0.000 0.535 396 S N 0.519 116.239 115.700 0.033 0.000 2.632 396 S HA 0.241 4.711 4.470 0.000 0.000 0.267 396 S C 0.295 174.948 174.600 0.090 0.000 1.276 396 S CA -0.689 57.552 58.200 0.069 0.000 0.998 396 S CB 0.722 63.943 63.200 0.034 0.000 0.953 396 S HN 0.448 nan 8.310 nan 0.000 0.547 397 N N 1.198 119.953 118.700 0.091 0.000 2.458 397 N HA 0.256 4.996 4.740 0.000 0.000 0.274 397 N C -0.751 174.829 175.510 0.116 0.000 1.242 397 N CA -0.088 53.022 53.050 0.099 0.000 0.904 397 N CB 0.039 38.573 38.487 0.079 0.000 1.206 397 N HN 0.556 nan 8.380 nan 0.000 0.510 398 L N 0.906 122.200 121.223 0.118 0.000 2.410 398 L HA 0.228 4.568 4.340 0.000 0.000 0.273 398 L C -0.271 176.689 176.870 0.149 0.000 1.152 398 L CA 0.100 55.004 54.840 0.106 0.000 0.855 398 L CB 0.265 42.366 42.059 0.070 0.000 1.129 398 L HN 0.069 nan 8.230 nan 0.000 0.463 399 F N 1.846 121.777 119.950 -0.031 0.000 2.540 399 F HA 0.599 5.126 4.527 -0.000 0.000 0.317 399 F C 0.716 176.471 175.800 -0.075 0.000 1.104 399 F CA -0.020 57.959 58.000 -0.034 0.000 0.913 399 F CB 1.881 40.869 39.000 -0.020 0.000 1.170 399 F HN 0.577 nan 8.300 nan 0.000 0.450 400 G N 3.703 112.077 108.800 -0.709 0.000 2.147 400 G HA2 -0.123 3.837 3.960 0.000 0.000 0.244 400 G HA3 -0.123 3.837 3.960 0.000 0.000 0.244 400 G C -0.570 174.134 174.900 -0.326 0.000 1.005 400 G CA 0.132 44.927 45.100 -0.509 0.000 0.713 400 G HN 1.435 nan 8.290 nan 0.000 0.515 401 V N -2.755 116.932 119.914 -0.377 0.000 2.966 401 V HA 0.890 5.010 4.120 0.000 0.000 0.317 401 V C 0.624 176.411 176.094 -0.511 0.000 1.070 401 V CA -1.219 60.812 62.300 -0.449 0.000 1.008 401 V CB 2.195 33.685 31.823 -0.556 0.000 1.070 401 V HN 0.553 nan 8.190 nan 0.000 0.457 402 V N 2.919 122.523 119.914 -0.517 0.000 2.370 402 V HA 0.404 4.524 4.120 0.000 0.000 0.279 402 V C -0.662 175.124 176.094 -0.514 0.000 1.029 402 V CA -0.290 61.677 62.300 -0.555 0.000 0.870 402 V CB 0.615 32.012 31.823 -0.711 0.000 0.984 402 V HN 0.819 nan 8.190 nan 0.000 0.451 403 Y N 3.134 123.269 120.300 -0.275 0.000 2.308 403 Y HA 0.558 5.108 4.550 0.000 0.000 0.329 403 Y C 0.215 176.009 175.900 -0.176 0.000 1.111 403 Y CA -0.632 57.362 58.100 -0.176 0.000 1.179 403 Y CB 1.761 40.148 38.460 -0.121 0.000 1.201 403 Y HN 0.378 nan 8.280 nan 0.000 0.483 404 V N 5.694 125.613 119.914 0.009 0.000 2.378 404 V HA 0.432 4.552 4.120 0.000 0.000 0.288 404 V C -0.660 175.404 176.094 -0.049 0.000 1.016 404 V CA -0.754 61.468 62.300 -0.131 0.000 0.840 404 V CB 1.056 32.643 31.823 -0.393 0.000 0.994 404 V HN 0.498 nan 8.190 nan 0.000 0.431 405 L N 3.580 124.826 121.223 0.038 0.000 2.354 405 L HA 0.644 4.984 4.340 0.000 0.000 0.269 405 L C -0.511 176.522 176.870 0.272 0.000 1.005 405 L CA -0.287 54.648 54.840 0.159 0.000 0.819 405 L CB 2.025 44.140 42.059 0.093 0.000 1.311 405 L HN 0.644 nan 8.230 nan 0.000 0.423 406 D N 1.630 122.191 120.400 0.269 0.000 2.464 406 D HA 0.321 4.961 4.640 0.000 0.000 0.243 406 D C -0.741 175.606 176.300 0.079 0.000 1.104 406 D CA -0.197 53.920 54.000 0.194 0.000 0.883 406 D CB 0.409 41.243 40.800 0.056 0.000 1.050 406 D HN 0.562 nan 8.370 nan 0.000 0.524 407 E N 2.718 122.957 120.200 0.065 0.000 2.240 407 E HA -0.160 4.190 4.350 0.000 0.000 0.194 407 E C -1.687 174.926 176.600 0.022 0.000 1.385 407 E CA 0.059 56.480 56.400 0.035 0.000 0.686 407 E CB -0.235 29.488 29.700 0.038 0.000 1.125 407 E HN 0.533 nan 8.360 nan 0.000 0.359 408 P HA -0.194 nan 4.420 nan 0.000 0.226 408 P C 1.145 178.442 177.300 -0.007 0.000 1.146 408 P CA 1.577 64.683 63.100 0.009 0.000 0.773 408 P CB 0.164 31.870 31.700 0.010 0.000 0.772 409 S N -1.402 114.293 115.700 -0.008 0.000 2.593 409 S HA 0.270 4.740 4.470 0.000 0.000 0.217 409 S C 1.145 175.712 174.600 -0.054 0.000 0.966 409 S CA -0.191 57.994 58.200 -0.026 0.000 0.914 409 S CB -0.795 62.393 63.200 -0.021 0.000 0.776 409 S HN 0.152 nan 8.310 nan 0.000 0.523 410 A N 1.022 123.812 122.820 -0.051 0.000 2.545 410 A HA 0.502 4.822 4.320 0.000 0.000 0.253 410 A C 1.538 179.008 177.584 -0.190 0.000 1.074 410 A CA 0.318 52.300 52.037 -0.092 0.000 0.760 410 A CB -1.177 17.793 19.000 -0.049 0.000 1.005 410 A HN 1.588 nan 8.150 nan 0.000 0.506 411 G N 1.442 109.992 108.800 -0.416 0.000 2.195 411 G HA2 -0.183 3.777 3.960 0.000 0.000 0.246 411 G HA3 -0.183 3.777 3.960 0.000 0.000 0.246 411 G C 0.199 174.859 174.900 -0.399 0.000 0.984 411 G CA 0.182 44.837 45.100 -0.741 0.000 0.633 411 G HN 0.734 nan 8.290 nan 0.000 0.525 412 L N 0.866 121.975 121.223 -0.191 0.000 2.371 412 L HA 0.463 4.803 4.340 0.000 0.000 0.272 412 L C 0.929 177.801 176.870 0.004 0.000 1.124 412 L CA -0.677 54.133 54.840 -0.051 0.000 0.816 412 L CB 0.955 42.991 42.059 -0.038 0.000 1.129 412 L HN 0.380 nan 8.230 nan 0.000 0.448 413 H N 4.473 123.518 119.070 -0.042 0.000 2.511 413 H HA 0.184 4.740 4.556 -0.000 0.000 0.346 413 H C -1.824 173.401 175.328 -0.172 0.000 1.128 413 H CA -1.278 54.728 56.048 -0.071 0.000 1.342 413 H CB 1.471 31.201 29.762 -0.053 0.000 1.470 413 H HN 0.265 nan 8.280 nan 0.000 0.546 414 P HA -0.087 nan 4.420 nan 0.000 0.228 414 P C 0.393 177.348 177.300 -0.575 0.000 1.151 414 P CA 1.394 64.111 63.100 -0.639 0.000 0.770 414 P CB 0.155 31.264 31.700 -0.985 0.000 0.786 415 A N -0.619 122.050 122.820 -0.251 0.000 2.123 415 A HA -0.059 4.261 4.320 0.000 0.000 0.214 415 A C 1.424 179.047 177.584 0.064 0.000 1.152 415 A CA 1.184 53.250 52.037 0.048 0.000 0.728 415 A CB -0.446 18.732 19.000 0.296 0.000 0.814 415 A HN 0.041 nan 8.150 nan 0.000 0.464 416 D N -1.086 119.339 120.400 0.042 0.000 2.431 416 D HA 0.034 4.674 4.640 0.000 0.000 0.213 416 D C 1.630 177.941 176.300 0.018 0.000 1.130 416 D CA 1.062 55.088 54.000 0.044 0.000 0.834 416 D CB 0.047 40.886 40.800 0.065 0.000 0.985 416 D HN 0.525 nan 8.370 nan 0.000 0.504 417 T N -1.559 112.987 114.554 -0.012 0.000 2.951 417 T HA -0.104 4.246 4.350 0.000 0.000 0.268 417 T C 1.802 176.505 174.700 0.005 0.000 1.073 417 T CA 0.731 62.823 62.100 -0.014 0.000 1.134 417 T CB 0.216 69.061 68.868 -0.038 0.000 0.884 417 T HN -0.136 nan 8.240 nan 0.000 0.479 418 E N 2.061 122.270 120.200 0.015 0.000 2.106 418 E HA 0.102 4.452 4.350 0.000 0.000 0.192 418 E C 2.279 178.890 176.600 0.018 0.000 0.984 418 E CA 1.190 57.603 56.400 0.021 0.000 0.806 418 E CB -0.789 28.929 29.700 0.030 0.000 0.750 418 E HN 0.605 nan 8.360 nan 0.000 0.458 419 A N 0.305 123.139 122.820 0.022 0.000 1.902 419 A HA -0.132 4.188 4.320 0.000 0.000 0.217 419 A C 2.170 179.770 177.584 0.027 0.000 1.181 419 A CA 1.423 53.476 52.037 0.027 0.000 0.623 419 A CB -0.749 18.277 19.000 0.043 0.000 0.818 419 A HN 0.371 nan 8.150 nan 0.000 0.443 420 L N -0.219 121.016 121.223 0.021 0.000 2.017 420 L HA -0.128 4.212 4.340 0.000 0.000 0.208 420 L C 2.311 179.187 176.870 0.011 0.000 1.073 420 L CA 1.747 56.595 54.840 0.013 0.000 0.745 420 L CB -0.466 41.598 42.059 0.007 0.000 0.894 420 L HN 0.403 nan 8.230 nan 0.000 0.432 421 L N -1.224 120.007 121.223 0.014 0.000 2.046 421 L HA -0.221 4.119 4.340 0.000 0.000 0.208 421 L C 2.521 179.401 176.870 0.017 0.000 1.077 421 L CA 1.428 56.279 54.840 0.018 0.000 0.747 421 L CB -0.709 41.363 42.059 0.022 0.000 0.896 421 L HN 0.235 nan 8.230 nan 0.000 0.432 422 S N -0.181 115.528 115.700 0.015 0.000 2.374 422 S HA -0.247 4.223 4.470 0.000 0.000 0.227 422 S C 2.145 176.753 174.600 0.014 0.000 1.037 422 S CA 1.379 59.587 58.200 0.013 0.000 1.024 422 S CB -0.335 62.869 63.200 0.007 0.000 0.861 422 S HN 0.534 nan 8.310 nan 0.000 0.456 423 A N 1.321 124.148 122.820 0.011 0.000 1.873 423 A HA 0.054 4.374 4.320 0.000 0.000 0.215 423 A C 2.107 179.675 177.584 -0.026 0.000 1.186 423 A CA 1.009 53.044 52.037 -0.003 0.000 0.616 423 A CB -0.686 18.309 19.000 -0.008 0.000 0.823 423 A HN 0.449 nan 8.150 nan 0.000 0.442 424 L N -0.732 120.480 121.223 -0.018 0.000 2.042 424 L HA -0.216 4.124 4.340 0.000 0.000 0.210 424 L C 2.666 179.534 176.870 -0.003 0.000 1.076 424 L CA 1.841 56.670 54.840 -0.018 0.000 0.749 424 L CB -0.534 41.530 42.059 0.009 0.000 0.893 424 L HN 0.491 nan 8.230 nan 0.000 0.432 425 E N 0.725 120.931 120.200 0.009 0.000 2.077 425 E HA -0.201 4.149 4.350 0.000 0.000 0.193 425 E C 1.945 178.550 176.600 0.009 0.000 0.989 425 E CA 1.367 57.776 56.400 0.016 0.000 0.800 425 E CB -0.059 29.653 29.700 0.020 0.000 0.746 425 E HN 0.314 nan 8.360 nan 0.000 0.452 426 N N 0.256 118.959 118.700 0.005 0.000 2.166 426 N HA -0.142 4.598 4.740 0.000 0.000 0.186 426 N C 1.867 177.374 175.510 -0.004 0.000 1.019 426 N CA 0.935 53.989 53.050 0.008 0.000 0.856 426 N CB -0.326 38.169 38.487 0.014 0.000 0.993 426 N HN 0.242 nan 8.380 nan 0.000 0.426 427 L N 1.195 122.399 121.223 -0.033 0.000 2.017 427 L HA -0.165 4.175 4.340 0.000 0.000 0.208 427 L C 2.492 179.361 176.870 -0.001 0.000 1.073 427 L CA 1.312 56.120 54.840 -0.054 0.000 0.745 427 L CB -0.280 41.692 42.059 -0.145 0.000 0.894 427 L HN 0.196 nan 8.230 nan 0.000 0.432 428 K N 0.273 120.674 120.400 0.003 0.000 2.009 428 K HA -0.226 4.094 4.320 0.000 0.000 0.210 428 K C 1.980 178.575 176.600 -0.009 0.000 1.049 428 K CA 1.604 57.895 56.287 0.006 0.000 0.929 428 K CB -0.058 32.452 32.500 0.017 0.000 0.714 428 K HN 0.200 nan 8.250 nan 0.000 0.440 429 R N -0.445 120.057 120.500 0.003 0.000 2.357 429 R HA -0.046 4.294 4.340 0.000 0.000 0.202 429 R C 1.686 178.002 176.300 0.025 0.000 1.047 429 R CA 0.537 56.643 56.100 0.010 0.000 1.034 429 R CB -0.096 30.215 30.300 0.019 0.000 0.875 429 R HN 0.286 nan 8.270 nan 0.000 0.473 430 G N -0.384 108.429 108.800 0.020 0.000 3.026 430 G HA2 0.126 4.086 3.960 0.000 0.000 0.208 430 G HA3 0.126 4.086 3.960 0.000 0.000 0.208 430 G C 0.847 175.740 174.900 -0.012 0.000 1.169 430 G CA 0.294 45.425 45.100 0.051 0.000 0.788 430 G HN 0.402 nan 8.290 nan 0.000 0.533 431 G N -0.363 108.368 108.800 -0.115 0.000 2.149 431 G HA2 -0.248 3.712 3.960 0.000 0.000 0.235 431 G HA3 -0.248 3.712 3.960 0.000 0.000 0.235 431 G C 0.035 174.635 174.900 -0.501 0.000 1.018 431 G CA -0.035 44.825 45.100 -0.401 0.000 0.728 431 G HN 0.502 nan 8.290 nan 0.000 0.508 432 N N -0.346 118.208 118.700 -0.244 0.000 2.402 432 N HA 0.704 5.444 4.740 0.000 0.000 0.294 432 N C -0.320 175.110 175.510 -0.134 0.000 1.203 432 N CA -0.246 52.687 53.050 -0.195 0.000 0.838 432 N CB 1.824 40.308 38.487 -0.006 0.000 1.306 432 N HN 0.152 nan 8.380 nan 0.000 0.510 433 S N 0.177 115.773 115.700 -0.175 0.000 2.664 433 S HA 0.663 5.133 4.470 0.000 0.000 0.304 433 S C -0.375 174.146 174.600 -0.132 0.000 1.099 433 S CA -0.719 57.385 58.200 -0.161 0.000 1.003 433 S CB 1.286 64.322 63.200 -0.272 0.000 1.092 433 S HN 0.291 nan 8.310 nan 0.000 0.525 434 L N 2.302 123.505 121.223 -0.034 0.000 2.406 434 L HA 0.511 4.851 4.340 0.000 0.000 0.272 434 L C -1.665 175.408 176.870 0.339 0.000 0.980 434 L CA -0.478 54.409 54.840 0.079 0.000 0.831 434 L CB 1.188 43.321 42.059 0.124 0.000 1.253 434 L HN 0.507 nan 8.230 nan 0.000 0.406 435 F N 3.384 123.392 119.950 0.095 0.000 2.361 435 F HA 0.502 5.029 4.527 -0.000 0.000 0.364 435 F C 0.079 175.939 175.800 0.100 0.000 1.117 435 F CA -1.215 56.879 58.000 0.157 0.000 1.071 435 F CB 1.707 40.715 39.000 0.013 0.000 1.188 435 F HN -0.044 nan 8.300 nan 0.000 0.464 436 V N 4.439 124.593 119.914 0.399 0.000 2.409 436 V HA 0.402 4.522 4.120 0.000 0.000 0.291 436 V C -0.374 175.887 176.094 0.279 0.000 1.020 436 V CA -1.086 61.365 62.300 0.252 0.000 0.848 436 V CB 2.024 33.954 31.823 0.179 0.000 0.990 436 V HN 0.475 nan 8.190 nan 0.000 0.430 437 V N 4.073 124.105 119.914 0.197 0.000 2.406 437 V HA 0.811 4.931 4.120 0.000 0.000 0.272 437 V C -0.447 175.658 176.094 0.019 0.000 1.043 437 V CA 0.341 62.728 62.300 0.145 0.000 0.915 437 V CB 1.297 33.210 31.823 0.150 0.000 0.988 437 V HN 1.039 nan 8.190 nan 0.000 0.466 438 E N 3.478 123.629 120.200 -0.082 0.000 2.390 438 E HA 0.490 4.840 4.350 0.000 0.000 0.277 438 E C -0.648 175.783 176.600 -0.283 0.000 0.939 438 E CA -0.391 55.931 56.400 -0.129 0.000 0.769 438 E CB 1.987 31.681 29.700 -0.010 0.000 1.251 438 E HN 0.801 nan 8.360 nan 0.000 0.450 439 H N 0.362 119.438 119.070 0.009 0.000 3.046 439 H HA 0.225 4.780 4.556 -0.000 0.000 0.262 439 H C -0.445 174.811 175.328 -0.120 0.000 1.044 439 H CA -0.221 55.792 56.048 -0.058 0.000 1.209 439 H CB 0.814 30.535 29.762 -0.068 0.000 1.507 439 H HN 0.323 nan 8.280 nan 0.000 0.507 440 D N 1.497 121.904 120.400 0.011 0.000 2.358 440 D HA -0.024 4.616 4.640 0.000 0.000 0.258 440 D C 1.103 177.372 176.300 -0.051 0.000 1.223 440 D CA 0.025 54.005 54.000 -0.034 0.000 0.886 440 D CB 1.065 41.849 40.800 -0.027 0.000 1.120 440 D HN 0.342 nan 8.370 nan 0.000 0.482 441 L N 3.214 124.388 121.223 -0.081 0.000 2.141 441 L HA -0.138 4.202 4.340 0.000 0.000 0.209 441 L C 1.781 178.612 176.870 -0.065 0.000 1.094 441 L CA 0.632 55.419 54.840 -0.088 0.000 0.763 441 L CB -0.149 41.845 42.059 -0.107 0.000 0.908 441 L HN 0.355 nan 8.230 nan 0.000 0.437 442 D N -0.346 120.024 120.400 -0.050 0.000 2.149 442 D HA -0.111 4.529 4.640 0.000 0.000 0.201 442 D C 2.339 178.631 176.300 -0.013 0.000 0.972 442 D CA 0.905 54.886 54.000 -0.030 0.000 0.835 442 D CB 0.054 40.835 40.800 -0.030 0.000 0.966 442 D HN 0.046 nan 8.370 nan 0.000 0.476 443 V N 1.015 120.922 119.914 -0.012 0.000 2.307 443 V HA -0.192 3.928 4.120 0.000 0.000 0.245 443 V C 2.503 178.608 176.094 0.018 0.000 1.045 443 V CA 1.036 63.341 62.300 0.008 0.000 1.024 443 V CB -0.328 31.501 31.823 0.010 0.000 0.651 443 V HN 0.193 nan 8.190 nan 0.000 0.449 444 I N -0.356 120.216 120.570 0.004 0.000 2.264 444 I HA -0.291 3.879 4.170 0.000 0.000 0.248 444 I C 2.747 178.872 176.117 0.013 0.000 1.111 444 I CA 1.656 62.962 61.300 0.010 0.000 1.382 444 I CB -0.431 37.561 38.000 -0.014 0.000 1.060 444 I HN 0.207 nan 8.210 nan 0.000 0.418 445 R N 0.624 121.117 120.500 -0.011 0.000 2.127 445 R HA -0.113 4.227 4.340 0.000 0.000 0.238 445 R C 2.061 178.391 176.300 0.050 0.000 1.134 445 R CA 1.178 57.278 56.100 -0.000 0.000 0.975 445 R CB 0.055 30.341 30.300 -0.023 0.000 0.865 445 R HN 0.265 nan 8.270 nan 0.000 0.447 446 R N -0.318 120.212 120.500 0.051 0.000 2.312 446 R HA 0.215 4.555 4.340 0.000 0.000 0.205 446 R C 0.375 176.729 176.300 0.091 0.000 0.904 446 R CA 0.319 56.460 56.100 0.068 0.000 1.052 446 R CB 0.386 30.718 30.300 0.053 0.000 1.014 446 R HN 0.081 nan 8.270 nan 0.000 0.503 447 A N 1.602 124.480 122.820 0.096 0.000 2.547 447 A HA -0.067 4.253 4.320 0.000 0.000 0.233 447 A C 0.703 178.393 177.584 0.177 0.000 1.067 447 A CA 0.199 52.312 52.037 0.128 0.000 0.763 447 A CB 0.333 19.401 19.000 0.114 0.000 1.007 447 A HN 0.114 nan 8.150 nan 0.000 0.506 448 D N -0.414 120.128 120.400 0.236 0.000 2.183 448 D HA 0.005 4.645 4.640 0.000 0.000 0.205 448 D C 0.226 176.789 176.300 0.439 0.000 0.962 448 D CA 1.046 55.265 54.000 0.365 0.000 0.849 448 D CB 0.221 41.279 40.800 0.430 0.000 0.978 448 D HN 0.658 nan 8.370 nan 0.000 0.488 449 W N 0.106 121.443 121.300 0.062 0.000 3.047 449 W HA 0.491 5.151 4.660 -0.000 0.000 0.341 449 W C -1.837 174.632 176.519 -0.084 0.000 1.225 449 W CA -0.650 56.660 57.345 -0.058 0.000 1.150 449 W CB 1.920 31.268 29.460 -0.187 0.000 1.470 449 W HN -0.290 nan 8.180 nan 0.000 0.578 450 L N 2.851 123.967 121.223 -0.179 0.000 2.543 450 L HA 0.477 4.817 4.340 0.000 0.000 0.265 450 L C -1.706 175.019 176.870 -0.242 0.000 0.945 450 L CA -0.423 54.333 54.840 -0.140 0.000 0.869 450 L CB 1.901 43.964 42.059 0.006 0.000 1.294 450 L HN 0.055 nan 8.230 nan 0.000 0.405 451 V N 3.601 123.333 119.914 -0.302 0.000 2.326 451 V HA 0.381 4.501 4.120 0.000 0.000 0.281 451 V C -0.671 175.387 176.094 -0.059 0.000 1.015 451 V CA -0.535 61.618 62.300 -0.245 0.000 0.823 451 V CB 1.421 32.975 31.823 -0.448 0.000 1.009 451 V HN 0.740 nan 8.190 nan 0.000 0.436 452 D N 3.337 123.762 120.400 0.040 0.000 2.280 452 D HA 0.388 5.028 4.640 0.000 0.000 0.243 452 D C -0.548 175.796 176.300 0.074 0.000 1.129 452 D CA 0.164 54.215 54.000 0.085 0.000 0.848 452 D CB 1.842 42.718 40.800 0.127 0.000 1.107 452 D HN 0.347 nan 8.370 nan 0.000 0.471 453 V N 4.417 124.375 119.914 0.073 0.000 2.427 453 V HA 0.744 4.864 4.120 0.000 0.000 0.286 453 V C 0.586 176.697 176.094 0.028 0.000 1.034 453 V CA 0.559 62.895 62.300 0.061 0.000 0.893 453 V CB 0.584 32.458 31.823 0.084 0.000 0.982 453 V HN 0.857 nan 8.190 nan 0.000 0.452 454 G N 7.281 116.095 108.800 0.023 0.000 3.032 454 G HA2 -0.179 3.781 3.960 0.000 0.000 0.348 454 G HA3 -0.179 3.781 3.960 0.000 0.000 0.348 454 G C -2.163 172.734 174.900 -0.005 0.000 1.541 454 G CA 0.019 45.123 45.100 0.006 0.000 1.020 454 G HN 0.660 nan 8.290 nan 0.000 0.562 455 P HA 0.073 nan 4.420 nan 0.000 0.213 455 P C 0.963 178.240 177.300 -0.038 0.000 1.170 455 P CA 1.802 64.893 63.100 -0.016 0.000 0.889 455 P CB 0.149 31.845 31.700 -0.007 0.000 0.782 456 E N -1.554 118.622 120.200 -0.040 0.000 2.892 456 E HA 0.629 4.979 4.350 0.000 0.000 0.160 456 E C -0.615 175.934 176.600 -0.085 0.000 0.783 456 E CA -1.062 55.303 56.400 -0.059 0.000 0.983 456 E CB 0.267 29.946 29.700 -0.035 0.000 1.958 456 E HN -0.125 nan 8.360 nan 0.000 0.371 457 A N 0.020 122.779 122.820 -0.101 0.000 2.269 457 A HA 0.659 4.979 4.320 0.000 0.000 0.319 457 A C 0.778 178.288 177.584 -0.124 0.000 1.110 457 A CA 0.199 52.116 52.037 -0.200 0.000 0.847 457 A CB 0.090 18.897 19.000 -0.321 0.000 1.161 457 A HN 0.681 nan 8.150 nan 0.000 0.497 458 G N 0.491 109.187 108.800 -0.174 0.000 2.690 458 G HA2 -0.401 3.559 3.960 0.000 0.000 0.334 458 G HA3 -0.401 3.559 3.960 0.000 0.000 0.334 458 G C 0.891 175.799 174.900 0.014 0.000 1.250 458 G CA 1.403 46.496 45.100 -0.011 0.000 0.994 458 G HN 0.878 nan 8.290 nan 0.000 0.549 459 E N 0.977 121.201 120.200 0.041 0.000 2.153 459 E HA 0.007 4.357 4.350 0.000 0.000 0.194 459 E C 2.537 179.149 176.600 0.020 0.000 0.988 459 E CA 1.697 58.118 56.400 0.035 0.000 0.811 459 E CB -0.080 29.645 29.700 0.043 0.000 0.746 459 E HN 0.644 nan 8.360 nan 0.000 0.466 460 K N -0.850 119.557 120.400 0.012 0.000 2.459 460 K HA 0.150 4.470 4.320 0.000 0.000 0.193 460 K C 1.144 177.741 176.600 -0.006 0.000 1.030 460 K CA 0.620 56.910 56.287 0.004 0.000 1.026 460 K CB 0.716 33.218 32.500 0.003 0.000 0.809 460 K HN 0.058 nan 8.250 nan 0.000 0.504 461 G N 0.146 108.938 108.800 -0.014 0.000 3.194 461 G HA2 0.393 4.353 3.960 0.000 0.000 0.160 461 G HA3 0.393 4.353 3.960 0.000 0.000 0.160 461 G C 0.562 175.462 174.900 0.001 0.000 1.267 461 G CA 0.009 45.099 45.100 -0.017 0.000 0.962 461 G HN 0.125 nan 8.290 nan 0.000 0.612 462 G N -0.771 108.032 108.800 0.005 0.000 2.189 462 G HA2 -0.221 3.739 3.960 0.000 0.000 0.267 462 G HA3 -0.221 3.739 3.960 0.000 0.000 0.267 462 G C 0.321 175.236 174.900 0.026 0.000 0.975 462 G CA 1.308 46.422 45.100 0.023 0.000 0.644 462 G HN 1.050 nan 8.290 nan 0.000 0.537 463 E N -0.764 119.450 120.200 0.022 0.000 2.264 463 E HA 0.750 5.100 4.350 0.000 0.000 0.260 463 E C -0.487 176.132 176.600 0.030 0.000 0.961 463 E CA -1.462 54.952 56.400 0.024 0.000 0.834 463 E CB 1.673 31.384 29.700 0.019 0.000 1.230 463 E HN 0.176 nan 8.360 nan 0.000 0.412 464 I N 2.249 122.836 120.570 0.029 0.000 2.307 464 I HA 0.069 4.239 4.170 0.000 0.000 0.289 464 I C 0.905 177.044 176.117 0.036 0.000 1.021 464 I CA -0.299 61.021 61.300 0.033 0.000 1.224 464 I CB 0.860 38.873 38.000 0.022 0.000 1.376 464 I HN 0.557 nan 8.210 nan 0.000 0.470 465 L N 6.347 127.603 121.223 0.056 0.000 2.131 465 L HA 0.027 4.367 4.340 0.000 0.000 0.206 465 L C -0.092 176.863 176.870 0.141 0.000 1.087 465 L CA 0.970 55.856 54.840 0.078 0.000 0.767 465 L CB -0.058 42.046 42.059 0.074 0.000 0.917 465 L HN 0.524 nan 8.230 nan 0.000 0.441 466 Y N -1.198 119.077 120.300 -0.040 0.000 2.552 466 Y HA 0.395 4.945 4.550 0.000 0.000 0.337 466 Y C -0.967 174.863 175.900 -0.117 0.000 1.094 466 Y CA -1.256 56.796 58.100 -0.079 0.000 1.028 466 Y CB 1.894 40.305 38.460 -0.081 0.000 1.321 466 Y HN -0.256 nan 8.280 nan 0.000 0.456 467 S N 3.659 118.830 115.700 -0.882 0.000 2.673 467 S HA 0.827 5.297 4.470 0.000 0.000 0.256 467 S C -0.788 172.959 174.600 -1.421 0.000 1.141 467 S CA 0.444 58.159 58.200 -0.809 0.000 1.109 467 S CB 0.232 63.314 63.200 -0.195 0.000 1.101 467 S HN 1.574 nan 8.310 nan 0.000 0.471 468 G N 3.975 111.538 108.800 -2.061 0.000 2.341 468 G HA2 0.521 4.481 3.960 0.000 0.000 0.299 468 G HA3 0.521 4.481 3.960 0.000 0.000 0.299 468 G C -3.626 170.469 174.900 -1.343 0.000 1.274 468 G CA -0.715 43.009 45.100 -2.294 0.000 0.853 468 G HN 0.457 nan 8.290 nan 0.000 0.493 469 P HA 0.255 nan 4.420 nan 0.000 0.268 469 P C -1.920 175.425 177.300 0.076 0.000 1.205 469 P CA -0.934 62.104 63.100 -0.104 0.000 0.771 469 P CB 0.804 32.549 31.700 0.075 0.000 0.858 470 P HA -0.220 nan 4.420 nan 0.000 0.217 470 P C 1.311 178.725 177.300 0.190 0.000 1.151 470 P CA 1.571 64.777 63.100 0.177 0.000 0.849 470 P CB -0.102 31.712 31.700 0.189 0.000 0.787 471 E N -0.919 119.347 120.200 0.110 0.000 2.204 471 E HA -0.062 4.288 4.350 0.000 0.000 0.194 471 E C 2.087 178.491 176.600 -0.327 0.000 0.989 471 E CA 1.202 57.525 56.400 -0.128 0.000 0.824 471 E CB -0.893 28.771 29.700 -0.061 0.000 0.756 471 E HN 0.269 nan 8.360 nan 0.000 0.477 472 G N 0.701 109.411 108.800 -0.150 0.000 2.776 472 G HA2 -0.144 3.816 3.960 0.000 0.000 0.209 472 G HA3 -0.144 3.816 3.960 0.000 0.000 0.209 472 G C 1.268 175.890 174.900 -0.463 0.000 1.145 472 G CA -0.104 44.921 45.100 -0.125 0.000 0.791 472 G HN 0.151 nan 8.290 nan 0.000 0.530 473 L N -0.374 120.473 121.223 -0.626 0.000 2.627 473 L HA 0.359 4.699 4.340 0.000 0.000 0.233 473 L C 2.150 178.834 176.870 -0.309 0.000 1.144 473 L CA 0.602 55.094 54.840 -0.580 0.000 0.892 473 L CB -0.099 41.796 42.059 -0.274 0.000 1.039 473 L HN 0.050 nan 8.230 nan 0.000 0.442 474 K N -1.510 118.585 120.400 -0.508 0.000 2.243 474 K HA 0.009 4.329 4.320 0.000 0.000 0.201 474 K C 0.826 177.143 176.600 -0.473 0.000 1.051 474 K CA 0.771 56.729 56.287 -0.548 0.000 0.970 474 K CB 0.058 32.060 32.500 -0.830 0.000 0.755 474 K HN 0.476 nan 8.250 nan 0.000 0.465 475 H N -0.705 118.236 119.070 -0.214 0.000 2.524 475 H HA 0.106 4.662 4.556 -0.000 0.000 0.280 475 H C -0.629 174.638 175.328 -0.103 0.000 1.018 475 H CA -0.021 55.947 56.048 -0.132 0.000 1.165 475 H CB 0.415 30.110 29.762 -0.111 0.000 1.411 475 H HN -0.179 nan 8.280 nan 0.000 0.569 476 V N 2.197 122.079 119.914 -0.053 0.000 2.276 476 V HA 0.143 4.263 4.120 0.000 0.000 0.268 476 V C -1.788 174.291 176.094 -0.025 0.000 1.032 476 V CA -1.206 61.075 62.300 -0.033 0.000 0.810 476 V CB 1.642 33.425 31.823 -0.066 0.000 1.060 476 V HN 0.174 nan 8.190 nan 0.000 0.446 477 P HA -0.084 nan 4.420 nan 0.000 0.222 477 P C 1.376 178.676 177.300 -0.001 0.000 1.153 477 P CA 0.758 63.852 63.100 -0.011 0.000 0.798 477 P CB 0.357 32.050 31.700 -0.012 0.000 0.796 478 E N -0.086 120.117 120.200 0.005 0.000 2.482 478 E HA -0.021 4.329 4.350 0.000 0.000 0.196 478 E C 0.323 176.931 176.600 0.013 0.000 1.047 478 E CA 0.243 56.648 56.400 0.008 0.000 0.869 478 E CB -0.379 29.327 29.700 0.010 0.000 0.836 478 E HN 0.048 nan 8.360 nan 0.000 0.520 479 S N 0.629 116.341 115.700 0.020 0.000 2.474 479 S HA 0.098 4.569 4.470 0.000 0.000 0.276 479 S C 0.767 175.401 174.600 0.058 0.000 1.227 479 S CA -0.420 57.800 58.200 0.034 0.000 1.050 479 S CB 1.336 64.556 63.200 0.035 0.000 0.939 479 S HN 0.209 nan 8.310 nan 0.000 0.490 480 Q N 2.464 122.301 119.800 0.061 0.000 2.230 480 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 480 Q C 2.247 178.451 176.000 0.340 0.000 0.963 480 Q CA 1.618 57.507 55.803 0.143 0.000 0.866 480 Q CB -0.121 28.657 28.738 0.066 0.000 0.931 480 Q HN 0.984 nan 8.270 nan 0.000 0.452 481 T N -2.001 112.728 114.554 0.291 0.000 2.770 481 T HA -0.072 4.278 4.350 0.000 0.000 0.263 481 T C 1.935 176.755 174.700 0.200 0.000 1.039 481 T CA 1.274 63.589 62.100 0.359 0.000 1.142 481 T CB -0.540 68.539 68.868 0.352 0.000 0.868 481 T HN 0.310 nan 8.240 nan 0.000 0.435 482 G N 0.775 109.662 108.800 0.145 0.000 2.469 482 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 482 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 482 G C 1.661 176.642 174.900 0.136 0.000 1.136 482 G CA 0.982 46.176 45.100 0.157 0.000 0.759 482 G HN 0.628 nan 8.290 nan 0.000 0.562 483 Q N -0.937 118.922 119.800 0.099 0.000 2.050 483 Q HA -0.113 4.228 4.340 0.000 0.000 0.202 483 Q C 2.289 178.259 176.000 -0.050 0.000 0.980 483 Q CA 1.435 57.243 55.803 0.008 0.000 0.840 483 Q CB -0.244 28.460 28.738 -0.056 0.000 0.898 483 Q HN 0.686 nan 8.270 nan 0.000 0.424 484 Y N -0.725 119.586 120.300 0.018 0.000 2.373 484 Y HA -0.152 4.398 4.550 -0.000 0.000 0.293 484 Y C 1.840 177.678 175.900 -0.104 0.000 1.129 484 Y CA 0.642 58.730 58.100 -0.020 0.000 1.226 484 Y CB 0.278 38.722 38.460 -0.027 0.000 1.000 484 Y HN 0.129 nan 8.280 nan 0.000 0.549 485 L N -2.532 118.655 121.223 -0.060 0.000 2.513 485 L HA 0.118 4.458 4.340 0.000 0.000 0.222 485 L C 0.465 176.931 176.870 -0.673 0.000 1.096 485 L CA 1.240 55.837 54.840 -0.405 0.000 0.857 485 L CB 0.058 41.769 42.059 -0.579 0.000 1.026 485 L HN 0.055 nan 8.230 nan 0.000 0.469 486 F N -2.662 117.287 119.950 -0.002 0.000 2.883 486 F HA 0.410 4.937 4.527 -0.000 0.000 0.351 486 F C 1.861 177.635 175.800 -0.044 0.000 0.970 486 F CA 0.241 58.219 58.000 -0.036 0.000 1.130 486 F CB -0.450 38.508 39.000 -0.071 0.000 1.015 486 F HN -0.073 nan 8.300 nan 0.000 0.585 487 A N -0.879 122.006 122.820 0.108 0.000 2.169 487 A HA 0.255 4.575 4.320 0.000 0.000 0.210 487 A C 0.396 177.995 177.584 0.025 0.000 1.168 487 A CA 0.838 52.901 52.037 0.044 0.000 0.813 487 A CB -0.211 18.794 19.000 0.008 0.000 0.861 487 A HN 0.214 nan 8.150 nan 0.000 0.481 488 D N -1.101 119.308 120.400 0.016 0.000 2.767 488 D HA -0.160 4.480 4.640 0.000 0.000 0.239 488 D C 0.119 176.485 176.300 0.110 0.000 1.103 488 D CA 0.732 54.747 54.000 0.025 0.000 0.710 488 D CB -1.433 39.368 40.800 0.001 0.000 1.084 488 D HN 0.619 nan 8.370 nan 0.000 0.435 489 R N 1.439 121.904 120.500 -0.059 0.000 2.449 489 R HA 0.278 4.618 4.340 0.000 0.000 0.296 489 R C 0.206 176.453 176.300 -0.088 0.000 1.047 489 R CA 0.093 56.064 56.100 -0.214 0.000 1.018 489 R CB 0.342 30.263 30.300 -0.631 0.000 0.962 489 R HN 0.439 nan 8.270 nan 0.000 0.428 490 H N 0.589 119.574 119.070 -0.142 0.000 2.990 490 H HA 0.318 4.874 4.556 0.000 0.000 0.336 490 H C -1.028 174.301 175.328 0.002 0.000 1.306 490 H CA -0.900 55.139 56.048 -0.016 0.000 1.118 490 H CB 0.650 30.417 29.762 0.008 0.000 1.856 490 H HN 0.500 nan 8.280 nan 0.000 0.538 491 T N 0.129 114.721 114.554 0.062 0.000 2.770 491 T HA 0.176 4.526 4.350 0.000 0.000 0.281 491 T C 0.472 175.170 174.700 -0.004 0.000 0.981 491 T CA -0.873 61.228 62.100 0.001 0.000 0.955 491 T CB 1.004 69.907 68.868 0.058 0.000 1.060 491 T HN 0.416 nan 8.240 nan 0.000 0.531 492 E N 1.440 121.644 120.200 0.006 0.000 2.349 492 E HA 0.331 4.681 4.350 0.000 0.000 0.262 492 E C -2.117 174.538 176.600 0.090 0.000 1.088 492 E CA -1.859 54.566 56.400 0.042 0.000 0.899 492 E CB -0.088 29.625 29.700 0.022 0.000 1.044 492 E HN 0.393 nan 8.360 nan 0.000 0.420 493 P HA 0.103 nan 4.420 nan 0.000 0.272 493 P C -0.706 176.670 177.300 0.127 0.000 1.223 493 P CA 0.156 63.321 63.100 0.107 0.000 0.784 493 P CB 0.361 32.108 31.700 0.079 0.000 0.923 494 H N -0.047 119.046 119.070 0.038 0.000 2.459 494 H HA 0.474 5.030 4.556 -0.000 0.000 0.332 494 H C -0.480 174.871 175.328 0.038 0.000 1.094 494 H CA -0.490 55.579 56.048 0.036 0.000 1.224 494 H CB 0.835 30.619 29.762 0.038 0.000 1.449 494 H HN 0.340 nan 8.280 nan 0.000 0.484 495 T N 4.410 118.695 114.554 -0.449 0.000 2.767 495 T HA 0.418 4.768 4.350 0.000 0.000 0.288 495 T C -2.615 171.769 174.700 -0.526 0.000 0.963 495 T CA -1.963 59.938 62.100 -0.332 0.000 1.019 495 T CB 0.779 69.553 68.868 -0.158 0.000 0.923 495 T HN 0.451 nan 8.240 nan 0.000 0.468 496 P HA 0.324 nan 4.420 nan 0.000 0.276 496 P C -0.128 177.168 177.300 -0.007 0.000 1.235 496 P CA -0.512 62.572 63.100 -0.027 0.000 0.772 496 P CB 0.469 32.239 31.700 0.116 0.000 0.871 497 R N 1.755 122.276 120.500 0.036 0.000 2.615 497 R HA 0.230 4.570 4.340 0.000 0.000 0.270 497 R C 0.524 176.834 176.300 0.016 0.000 1.081 497 R CA -0.488 55.623 56.100 0.018 0.000 1.154 497 R CB 0.384 30.701 30.300 0.028 0.000 1.063 497 R HN 0.434 nan 8.270 nan 0.000 0.519 498 E N 2.362 122.555 120.200 -0.011 0.000 2.313 498 E HA 0.168 4.518 4.350 0.000 0.000 0.276 498 E C -2.126 174.402 176.600 -0.121 0.000 1.031 498 E CA -2.019 54.360 56.400 -0.035 0.000 0.857 498 E CB 0.602 30.293 29.700 -0.015 0.000 1.040 498 E HN 0.313 nan 8.360 nan 0.000 0.408 499 P HA 0.091 nan 4.420 nan 0.000 0.271 499 P C -0.022 177.105 177.300 -0.289 0.000 1.216 499 P CA -0.039 62.803 63.100 -0.429 0.000 0.776 499 P CB 0.794 31.920 31.700 -0.956 0.000 0.881 500 A N 2.303 124.972 122.820 -0.253 0.000 2.167 500 A HA 0.448 4.768 4.320 0.000 0.000 0.214 500 A C 1.016 178.505 177.584 -0.159 0.000 1.151 500 A CA 1.389 53.333 52.037 -0.155 0.000 0.735 500 A CB -0.765 18.168 19.000 -0.112 0.000 0.802 500 A HN 0.702 nan 8.150 nan 0.000 0.467 501 G N -3.079 105.540 108.800 -0.302 0.000 2.317 501 G HA2 0.402 4.362 3.960 0.000 0.000 0.293 501 G HA3 0.402 4.362 3.960 0.000 0.000 0.293 501 G C -2.117 172.486 174.900 -0.495 0.000 1.287 501 G CA -0.708 44.266 45.100 -0.210 0.000 0.850 501 G HN 0.351 nan 8.290 nan 0.000 0.515 502 W N -0.015 121.245 121.300 -0.068 0.000 3.036 502 W HA 0.583 5.243 4.660 -0.000 0.000 0.337 502 W C -0.327 176.176 176.519 -0.027 0.000 1.055 502 W CA -0.615 56.687 57.345 -0.071 0.000 1.248 502 W CB 1.808 31.208 29.460 -0.100 0.000 1.335 502 W HN 0.516 nan 8.180 nan 0.000 0.446 503 L N 3.223 124.560 121.223 0.190 0.000 2.305 503 L HA 0.495 4.835 4.340 0.000 0.000 0.281 503 L C 0.065 177.059 176.870 0.206 0.000 1.085 503 L CA 0.189 55.120 54.840 0.151 0.000 0.813 503 L CB 0.710 42.826 42.059 0.094 0.000 1.157 503 L HN 0.378 nan 8.230 nan 0.000 0.436 504 E N 5.657 125.933 120.200 0.127 0.000 2.174 504 E HA 0.316 4.666 4.350 0.000 0.000 0.282 504 E C -0.983 175.680 176.600 0.105 0.000 0.992 504 E CA -0.416 56.050 56.400 0.109 0.000 0.803 504 E CB 1.703 31.434 29.700 0.051 0.000 1.090 504 E HN 0.568 nan 8.360 nan 0.000 0.396 505 L N 4.370 125.684 121.223 0.152 0.000 2.277 505 L HA 0.347 4.687 4.340 0.000 0.000 0.284 505 L C -0.817 176.099 176.870 0.077 0.000 1.028 505 L CA -0.440 54.477 54.840 0.129 0.000 0.835 505 L CB 0.482 42.681 42.059 0.234 0.000 1.215 505 L HN 0.530 nan 8.230 nan 0.000 0.425 506 N N 2.168 120.895 118.700 0.045 0.000 2.362 506 N HA 0.381 5.121 4.740 0.000 0.000 0.299 506 N C 0.435 175.958 175.510 0.023 0.000 1.170 506 N CA 0.099 53.164 53.050 0.026 0.000 0.825 506 N CB 2.030 40.525 38.487 0.014 0.000 1.299 506 N HN 0.680 nan 8.380 nan 0.000 0.502 507 G N -0.084 108.726 108.800 0.017 0.000 2.366 507 G HA2 -0.216 3.744 3.960 0.000 0.000 0.299 507 G HA3 -0.216 3.744 3.960 0.000 0.000 0.299 507 G C -0.002 174.910 174.900 0.020 0.000 1.020 507 G CA 0.619 45.728 45.100 0.015 0.000 1.026 507 G HN 0.487 nan 8.290 nan 0.000 0.512 508 V N 0.371 120.301 119.914 0.027 0.000 2.432 508 V HA 0.778 4.898 4.120 0.000 0.000 0.271 508 V C 0.251 176.361 176.094 0.028 0.000 1.046 508 V CA 0.619 62.938 62.300 0.033 0.000 0.945 508 V CB 1.544 33.397 31.823 0.050 0.000 0.992 508 V HN 0.452 nan 8.190 nan 0.000 0.471 509 T N 8.565 123.134 114.554 0.026 0.000 3.008 509 T HA 0.598 4.948 4.350 0.000 0.000 0.328 509 T C -0.695 174.019 174.700 0.024 0.000 1.020 509 T CA -0.607 61.507 62.100 0.022 0.000 1.043 509 T CB 0.287 69.165 68.868 0.018 0.000 1.010 509 T HN 1.021 nan 8.240 nan 0.000 0.466 510 R N 2.747 123.263 120.500 0.027 0.000 2.664 510 R HA 0.398 4.738 4.340 0.000 0.000 0.260 510 R C -0.313 176.006 176.300 0.031 0.000 1.062 510 R CA -0.718 55.399 56.100 0.029 0.000 0.902 510 R CB 0.512 30.830 30.300 0.030 0.000 1.258 510 R HN 0.353 nan 8.270 nan 0.000 0.465 511 N N 1.855 120.575 118.700 0.033 0.000 1.482 511 N HA -0.401 4.339 4.740 0.000 0.000 0.143 511 N C 0.645 176.176 175.510 0.035 0.000 0.494 511 N CA 2.354 55.427 53.050 0.038 0.000 1.128 511 N CB -1.246 37.268 38.487 0.045 0.000 1.360 511 N HN 0.883 nan 8.380 nan 0.000 0.441 512 N N 1.083 119.803 118.700 0.033 0.000 2.409 512 N HA 0.032 4.772 4.740 0.000 0.000 0.179 512 N C -0.331 175.191 175.510 0.020 0.000 1.032 512 N CA 0.266 53.332 53.050 0.026 0.000 0.898 512 N CB 0.110 38.606 38.487 0.015 0.000 0.971 512 N HN 0.272 nan 8.380 nan 0.000 0.441 513 L N 1.422 122.658 121.223 0.022 0.000 2.333 513 L HA 0.431 4.771 4.340 0.000 0.000 0.280 513 L C -1.297 175.584 176.870 0.020 0.000 1.004 513 L CA -1.105 53.747 54.840 0.020 0.000 0.820 513 L CB 1.658 43.733 42.059 0.026 0.000 1.247 513 L HN -0.024 nan 8.230 nan 0.000 0.416 514 D N 1.188 121.598 120.400 0.016 0.000 2.498 514 D HA 0.143 4.783 4.640 0.000 0.000 0.247 514 D C -0.046 176.261 176.300 0.012 0.000 1.070 514 D CA -1.004 53.005 54.000 0.014 0.000 0.842 514 D CB 1.603 42.411 40.800 0.012 0.000 1.361 514 D HN 0.608 nan 8.370 nan 0.000 0.484 515 N N -0.158 118.549 118.700 0.012 0.000 2.712 515 N HA -0.261 4.479 4.740 0.000 0.000 0.263 515 N C -0.922 174.593 175.510 0.008 0.000 0.954 515 N CA 0.098 53.154 53.050 0.010 0.000 0.812 515 N CB -0.786 37.705 38.487 0.006 0.000 0.912 515 N HN 0.444 nan 8.380 nan 0.000 0.551 516 L N 0.805 122.035 121.223 0.013 0.000 2.276 516 L HA 0.371 4.711 4.340 0.000 0.000 0.286 516 L C -0.345 176.532 176.870 0.011 0.000 1.061 516 L CA -0.223 54.623 54.840 0.010 0.000 0.807 516 L CB 0.952 43.020 42.059 0.015 0.000 1.177 516 L HN 0.113 nan 8.230 nan 0.000 0.429 517 D N 4.681 125.081 120.400 -0.000 0.000 2.233 517 D HA 0.394 5.034 4.640 0.000 0.000 0.240 517 D C -0.929 175.359 176.300 -0.021 0.000 1.074 517 D CA -0.079 53.918 54.000 -0.005 0.000 0.838 517 D CB 2.335 43.127 40.800 -0.013 0.000 1.124 517 D HN 0.304 nan 8.370 nan 0.000 0.475 518 V N 3.033 122.935 119.914 -0.021 0.000 2.876 518 V HA 0.445 4.565 4.120 0.000 0.000 0.312 518 V C -0.489 175.551 176.094 -0.090 0.000 1.085 518 V CA -0.748 61.497 62.300 -0.091 0.000 0.945 518 V CB 2.780 34.530 31.823 -0.122 0.000 1.017 518 V HN 0.426 nan 8.190 nan 0.000 0.428 519 R N 3.309 123.721 120.500 -0.147 0.000 2.599 519 R HA 0.613 4.953 4.340 0.000 0.000 0.295 519 R C -1.825 174.440 176.300 -0.058 0.000 0.963 519 R CA -0.456 55.644 56.100 0.001 0.000 0.883 519 R CB 2.208 32.543 30.300 0.059 0.000 1.171 519 R HN 0.488 nan 8.270 nan 0.000 0.450 520 F N 3.290 123.372 119.950 0.220 0.000 2.458 520 F HA 0.377 4.904 4.527 0.000 0.000 0.336 520 F C -1.803 173.941 175.800 -0.095 0.000 1.114 520 F CA -2.615 55.448 58.000 0.104 0.000 0.987 520 F CB 1.730 40.760 39.000 0.050 0.000 1.130 520 F HN 0.243 nan 8.300 nan 0.000 0.458 521 P HA 0.201 nan 4.420 nan 0.000 0.281 521 P C -0.789 176.221 177.300 -0.484 0.000 1.252 521 P CA -0.083 62.414 63.100 -1.005 0.000 0.778 521 P CB 1.144 31.940 31.700 -1.506 0.000 0.895 522 L N 2.191 123.142 121.223 -0.454 0.000 2.375 522 L HA 0.471 4.811 4.340 0.000 0.000 0.271 522 L C 1.540 178.282 176.870 -0.214 0.000 1.107 522 L CA 0.005 54.705 54.840 -0.233 0.000 0.806 522 L CB 0.312 42.273 42.059 -0.163 0.000 1.146 522 L HN 0.750 nan 8.230 nan 0.000 0.447 523 G N 2.050 110.780 108.800 -0.117 0.000 2.149 523 G HA2 -0.167 3.793 3.960 0.000 0.000 0.235 523 G HA3 -0.167 3.793 3.960 0.000 0.000 0.235 523 G C -0.422 174.443 174.900 -0.059 0.000 1.018 523 G CA 0.043 45.097 45.100 -0.077 0.000 0.728 523 G HN 0.428 nan 8.290 nan 0.000 0.508 524 V N -0.147 119.737 119.914 -0.050 0.000 3.232 524 V HA 0.784 4.904 4.120 0.000 0.000 0.303 524 V C -0.185 175.924 176.094 0.026 0.000 1.311 524 V CA -0.427 61.861 62.300 -0.020 0.000 1.061 524 V CB 2.222 33.989 31.823 -0.093 0.000 1.085 524 V HN 0.616 nan 8.190 nan 0.000 0.447 525 M N 1.886 121.526 119.600 0.067 0.000 2.129 525 M HA 0.601 5.081 4.480 0.000 0.000 0.348 525 M C -0.779 175.601 176.300 0.133 0.000 1.116 525 M CA 0.310 55.658 55.300 0.080 0.000 1.022 525 M CB 1.341 33.971 32.600 0.050 0.000 1.599 525 M HN 0.712 nan 8.290 nan 0.000 0.449 526 T N 3.101 117.750 114.554 0.159 0.000 2.824 526 T HA 0.458 4.808 4.350 0.000 0.000 0.280 526 T C -0.595 174.212 174.700 0.178 0.000 0.995 526 T CA -0.588 61.658 62.100 0.243 0.000 1.009 526 T CB 1.471 70.556 68.868 0.361 0.000 0.955 526 T HN 0.696 nan 8.240 nan 0.000 0.452 527 S N 1.949 117.740 115.700 0.152 0.000 2.451 527 S HA 0.527 4.997 4.470 0.000 0.000 0.301 527 S C -0.248 174.411 174.600 0.099 0.000 1.116 527 S CA -0.699 57.554 58.200 0.088 0.000 1.093 527 S CB 1.027 64.250 63.200 0.038 0.000 1.017 527 S HN 0.487 nan 8.310 nan 0.000 0.482 528 V N 4.297 124.261 119.914 0.082 0.000 2.347 528 V HA 0.603 4.723 4.120 0.000 0.000 0.280 528 V C 0.547 176.646 176.094 0.008 0.000 1.021 528 V CA -0.430 61.919 62.300 0.081 0.000 0.847 528 V CB 0.981 32.888 31.823 0.141 0.000 0.990 528 V HN 1.056 nan 8.190 nan 0.000 0.444 529 T N 1.399 115.961 114.554 0.012 0.000 2.742 529 T HA 0.995 5.345 4.350 0.000 0.000 0.282 529 T C -0.000 174.717 174.700 0.028 0.000 1.025 529 T CA -0.277 61.830 62.100 0.012 0.000 1.020 529 T CB 2.081 70.971 68.868 0.037 0.000 1.317 529 T HN 1.748 nan 8.240 nan 0.000 0.538 530 G N -0.748 108.096 108.800 0.073 0.000 2.354 530 G HA2 0.308 4.268 3.960 0.000 0.000 0.582 530 G HA3 0.308 4.268 3.960 0.000 0.000 0.582 530 G C -0.927 173.938 174.900 -0.059 0.000 1.316 530 G CA -0.385 44.702 45.100 -0.022 0.000 0.995 530 G HN 1.159 nan 8.290 nan 0.000 0.573 531 V N 0.107 119.884 119.914 -0.228 0.000 3.133 531 V HA 0.591 4.711 4.120 0.000 0.000 0.305 531 V C 1.494 177.526 176.094 -0.104 0.000 1.084 531 V CA 0.696 62.852 62.300 -0.241 0.000 1.089 531 V CB 1.624 33.270 31.823 -0.294 0.000 1.073 531 V HN 1.687 nan 8.190 nan 0.000 0.477 532 S N 2.933 118.594 115.700 -0.065 0.000 2.533 532 S HA 0.411 4.881 4.470 0.000 0.000 0.282 532 S C 1.037 175.369 174.600 -0.446 0.000 1.304 532 S CA 0.456 58.593 58.200 -0.104 0.000 1.063 532 S CB 0.075 63.282 63.200 0.012 0.000 0.881 532 S HN 2.109 nan 8.310 nan 0.000 0.493 533 G N 3.163 111.599 108.800 -0.607 0.000 2.159 533 G HA2 -0.317 3.643 3.960 0.000 0.000 0.256 533 G HA3 -0.317 3.643 3.960 0.000 0.000 0.256 533 G C 0.951 175.590 174.900 -0.436 0.000 0.977 533 G CA 0.926 45.433 45.100 -0.989 0.000 0.652 533 G HN 1.457 nan 8.290 nan 0.000 0.531 534 S N -0.939 114.613 115.700 -0.247 0.000 2.436 534 S HA 0.403 4.873 4.470 0.000 0.000 0.228 534 S C 2.051 176.605 174.600 -0.077 0.000 1.014 534 S CA 1.548 59.666 58.200 -0.136 0.000 0.950 534 S CB 0.263 63.400 63.200 -0.105 0.000 0.784 534 S HN 2.317 nan 8.310 nan 0.000 0.504 535 G N 0.821 109.585 108.800 -0.060 0.000 2.200 535 G HA2 -0.138 3.822 3.960 0.000 0.000 0.145 535 G HA3 -0.138 3.822 3.960 0.000 0.000 0.145 535 G C 0.639 175.549 174.900 0.017 0.000 1.021 535 G CA 0.079 45.171 45.100 -0.013 0.000 0.720 535 G HN 0.431 nan 8.290 nan 0.000 0.494 536 K N 1.135 121.545 120.400 0.016 0.000 2.002 536 K HA -0.062 4.258 4.320 0.000 0.000 0.209 536 K C 2.807 179.438 176.600 0.052 0.000 1.048 536 K CA 1.946 58.255 56.287 0.037 0.000 0.930 536 K CB -0.308 32.203 32.500 0.018 0.000 0.714 536 K HN 0.448 nan 8.250 nan 0.000 0.438 537 S N 1.175 116.905 115.700 0.051 0.000 2.382 537 S HA -0.166 4.304 4.470 0.000 0.000 0.228 537 S C 2.303 176.935 174.600 0.053 0.000 1.027 537 S CA 1.771 60.005 58.200 0.056 0.000 0.991 537 S CB -1.152 62.087 63.200 0.065 0.000 0.823 537 S HN 0.456 nan 8.310 nan 0.000 0.469 538 T N 1.516 116.101 114.554 0.050 0.000 2.720 538 T HA -0.070 4.280 4.350 0.000 0.000 0.268 538 T C 1.727 176.462 174.700 0.057 0.000 1.037 538 T CA 1.305 63.435 62.100 0.049 0.000 1.144 538 T CB -0.801 68.094 68.868 0.044 0.000 0.864 538 T HN 0.276 nan 8.240 nan 0.000 0.444 539 L N 0.682 121.949 121.223 0.072 0.000 2.056 539 L HA 0.073 4.413 4.340 0.000 0.000 0.207 539 L C 2.439 179.376 176.870 0.112 0.000 1.078 539 L CA 1.406 56.311 54.840 0.109 0.000 0.749 539 L CB -0.309 41.836 42.059 0.144 0.000 0.901 539 L HN 0.205 nan 8.230 nan 0.000 0.433 540 V N -2.018 117.948 119.914 0.085 0.000 2.484 540 V HA -0.018 4.102 4.120 0.000 0.000 0.236 540 V C 2.289 178.387 176.094 0.007 0.000 1.062 540 V CA 1.344 63.666 62.300 0.037 0.000 1.081 540 V CB -0.023 31.829 31.823 0.048 0.000 0.751 540 V HN 0.361 nan 8.190 nan 0.000 0.484 541 S N -0.299 115.417 115.700 0.025 0.000 2.402 541 S HA -0.173 4.297 4.470 0.000 0.000 0.229 541 S C 1.826 176.440 174.600 0.023 0.000 1.021 541 S CA 1.444 59.658 58.200 0.023 0.000 0.974 541 S CB -0.125 63.097 63.200 0.036 0.000 0.800 541 S HN 0.621 nan 8.310 nan 0.000 0.484 542 Q N 0.437 120.255 119.800 0.029 0.000 2.385 542 Q HA 0.325 4.665 4.340 0.000 0.000 0.195 542 Q C 2.569 178.585 176.000 0.025 0.000 0.977 542 Q CA 0.717 56.538 55.803 0.030 0.000 0.856 542 Q CB -0.342 28.418 28.738 0.036 0.000 0.986 542 Q HN 0.454 nan 8.270 nan 0.000 0.558 543 A N 1.065 123.906 122.820 0.033 0.000 1.855 543 A HA -0.143 4.177 4.320 0.000 0.000 0.215 543 A C 2.074 179.670 177.584 0.019 0.000 1.191 543 A CA 1.194 53.251 52.037 0.033 0.000 0.613 543 A CB -0.753 18.278 19.000 0.051 0.000 0.829 543 A HN 0.323 nan 8.150 nan 0.000 0.442 544 L N -0.016 121.214 121.223 0.011 0.000 2.017 544 L HA -0.103 4.237 4.340 0.000 0.000 0.208 544 L C 2.332 179.170 176.870 -0.055 0.000 1.073 544 L CA 2.005 56.819 54.840 -0.042 0.000 0.745 544 L CB -0.609 41.361 42.059 -0.147 0.000 0.894 544 L HN 0.132 nan 8.230 nan 0.000 0.432 545 V N -0.021 119.873 119.914 -0.035 0.000 2.358 545 V HA -0.260 3.860 4.120 0.000 0.000 0.246 545 V C 2.284 178.377 176.094 -0.001 0.000 1.047 545 V CA 1.956 64.248 62.300 -0.015 0.000 1.035 545 V CB -0.744 31.079 31.823 0.000 0.000 0.658 545 V HN 0.473 nan 8.190 nan 0.000 0.452 546 D N 0.345 120.746 120.400 0.002 0.000 2.117 546 D HA -0.092 4.548 4.640 0.000 0.000 0.198 546 D C 2.197 178.493 176.300 -0.006 0.000 0.982 546 D CA 1.613 55.616 54.000 0.006 0.000 0.828 546 D CB -0.278 40.529 40.800 0.011 0.000 0.967 546 D HN 0.437 nan 8.370 nan 0.000 0.464 547 A N 0.350 123.160 122.820 -0.017 0.000 1.969 547 A HA -0.053 4.267 4.320 0.000 0.000 0.218 547 A C 2.344 179.882 177.584 -0.077 0.000 1.169 547 A CA 0.676 52.691 52.037 -0.035 0.000 0.635 547 A CB -0.533 18.449 19.000 -0.030 0.000 0.810 547 A HN 0.182 nan 8.150 nan 0.000 0.445 548 L N -1.027 120.145 121.223 -0.085 0.000 2.044 548 L HA -0.106 4.234 4.340 0.000 0.000 0.205 548 L C 3.057 179.869 176.870 -0.096 0.000 1.075 548 L CA 0.965 55.716 54.840 -0.150 0.000 0.747 548 L CB -0.468 41.562 42.059 -0.049 0.000 0.903 548 L HN 0.420 nan 8.230 nan 0.000 0.435 549 A N -0.126 122.709 122.820 0.027 0.000 2.019 549 A HA -0.138 4.182 4.320 0.000 0.000 0.219 549 A C 2.427 180.036 177.584 0.042 0.000 1.164 549 A CA 1.620 53.709 52.037 0.087 0.000 0.644 549 A CB -0.494 18.545 19.000 0.066 0.000 0.805 549 A HN 0.430 nan 8.150 nan 0.000 0.449 550 A N -1.029 121.786 122.820 -0.008 0.000 1.897 550 A HA -0.074 4.246 4.320 0.000 0.000 0.215 550 A C 1.970 179.520 177.584 -0.056 0.000 1.181 550 A CA 1.753 53.778 52.037 -0.019 0.000 0.620 550 A CB -0.828 18.163 19.000 -0.017 0.000 0.821 550 A HN 0.742 nan 8.150 nan 0.000 0.443 551 H N -1.276 117.651 119.070 -0.237 0.000 2.387 551 H HA 0.006 4.562 4.556 0.000 0.000 0.299 551 H C 0.316 175.446 175.328 -0.330 0.000 1.099 551 H CA 1.374 57.211 56.048 -0.353 0.000 1.315 551 H CB -0.185 29.240 29.762 -0.562 0.000 1.380 551 H HN 0.461 nan 8.280 nan 0.000 0.513 552 F N -1.600 118.357 119.950 0.011 0.000 2.364 552 F HA 0.274 4.801 4.527 -0.000 0.000 0.316 552 F C 2.132 177.900 175.800 -0.053 0.000 1.133 552 F CA -0.522 57.452 58.000 -0.045 0.000 1.051 552 F CB 0.474 39.480 39.000 0.011 0.000 1.342 552 F HN 0.064 nan 8.300 nan 0.000 0.507 553 G N -0.504 108.397 108.800 0.169 0.000 2.440 553 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 553 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 553 G C 0.610 175.548 174.900 0.064 0.000 1.154 553 G CA 0.210 45.352 45.100 0.070 0.000 0.767 553 G HN 0.670 nan 8.290 nan 0.000 0.552 573 S N -0.907 114.804 115.700 0.018 0.000 2.536 573 S HA 1.003 5.473 4.470 0.000 0.000 0.271 573 S C -0.519 174.092 174.600 0.019 0.000 1.134 573 S CA 0.166 58.375 58.200 0.015 0.000 0.897 573 S CB 1.916 65.124 63.200 0.012 0.000 1.094 573 S HN 2.586 nan 8.310 nan 0.000 0.473 574 A N 2.432 125.262 122.820 0.017 0.000 2.594 574 A HA 0.810 5.130 4.320 0.000 0.000 0.296 574 A C -1.016 176.576 177.584 0.012 0.000 1.056 574 A CA -1.101 50.949 52.037 0.021 0.000 0.693 574 A CB 1.355 20.374 19.000 0.032 0.000 1.278 574 A HN 1.185 nan 8.150 nan 0.000 0.408 575 R N 1.241 121.748 120.500 0.012 0.000 2.562 575 R HA 0.753 5.093 4.340 0.000 0.000 0.298 575 R C -0.987 175.312 176.300 -0.001 0.000 0.961 575 R CA -0.669 55.433 56.100 0.003 0.000 0.881 575 R CB 0.926 31.229 30.300 0.004 0.000 1.159 575 R HN 0.607 nan 8.270 nan 0.000 0.450 576 L N -0.391 120.816 121.223 -0.026 0.000 2.440 576 L HA 0.893 5.233 4.340 0.000 0.000 0.262 576 L C 0.533 177.373 176.870 -0.050 0.000 1.072 576 L CA -0.657 54.155 54.840 -0.047 0.000 0.798 576 L CB 0.784 42.771 42.059 -0.120 0.000 1.307 576 L HN 0.922 nan 8.230 nan 0.000 0.475 577 G N -1.559 107.208 108.800 -0.055 0.000 2.327 577 G HA2 0.419 4.379 3.960 0.000 0.000 0.234 577 G HA3 0.419 4.379 3.960 0.000 0.000 0.234 577 G C -0.217 174.682 174.900 -0.003 0.000 1.884 577 G CA -0.299 44.777 45.100 -0.040 0.000 1.132 577 G HN 1.081 nan 8.290 nan 0.000 0.633 578 G N 0.132 108.939 108.800 0.013 0.000 2.992 578 G HA2 0.431 4.391 3.960 0.000 0.000 0.201 578 G HA3 0.431 4.391 3.960 0.000 0.000 0.201 578 G C 0.063 174.985 174.900 0.037 0.000 2.057 578 G CA 0.178 45.306 45.100 0.047 0.000 0.800 578 G HN 0.271 nan 8.290 nan 0.000 0.700 579 D N 1.467 121.898 120.400 0.051 0.000 3.057 579 D HA 0.211 4.851 4.640 0.000 0.000 0.246 579 D C 1.772 178.079 176.300 0.012 0.000 1.238 579 D CA -0.108 53.913 54.000 0.035 0.000 0.949 579 D CB 0.891 41.717 40.800 0.043 0.000 1.086 579 D HN 0.082 nan 8.370 nan 0.000 0.487 580 L N 0.669 121.884 121.223 -0.014 0.000 2.261 580 L HA -0.205 4.135 4.340 0.000 0.000 0.216 580 L C 2.325 179.218 176.870 0.037 0.000 1.114 580 L CA 0.743 55.552 54.840 -0.052 0.000 0.777 580 L CB -0.068 41.896 42.059 -0.157 0.000 0.910 580 L HN 0.169 nan 8.230 nan 0.000 0.440 581 A N -0.818 122.031 122.820 0.049 0.000 2.125 581 A HA -0.206 4.114 4.320 0.000 0.000 0.219 581 A C 2.032 179.651 177.584 0.059 0.000 1.156 581 A CA 1.226 53.304 52.037 0.067 0.000 0.671 581 A CB -0.237 18.791 19.000 0.048 0.000 0.794 581 A HN 0.548 nan 8.150 nan 0.000 0.459 582 Q N -0.638 119.188 119.800 0.042 0.000 2.356 582 Q HA 0.286 4.626 4.340 0.000 0.000 0.205 582 Q C 0.080 176.093 176.000 0.023 0.000 0.901 582 Q CA 0.059 55.875 55.803 0.022 0.000 0.938 582 Q CB 0.143 28.882 28.738 0.001 0.000 1.081 582 Q HN 0.893 nan 8.270 nan 0.000 0.517 583 I N -3.121 117.488 120.570 0.066 0.000 2.603 583 I HA 0.473 4.643 4.170 0.000 0.000 0.300 583 I C 0.615 176.797 176.117 0.109 0.000 1.017 583 I CA -0.738 60.607 61.300 0.075 0.000 1.098 583 I CB 2.045 40.118 38.000 0.122 0.000 1.279 583 I HN -0.163 nan 8.210 nan 0.000 0.437 584 T N 0.478 114.951 114.554 -0.134 0.000 3.010 584 T HA 0.391 4.741 4.350 0.000 0.000 0.252 584 T C 0.794 174.909 174.700 -0.975 0.000 0.963 584 T CA -0.176 61.716 62.100 -0.348 0.000 0.952 584 T CB 0.279 69.026 68.868 -0.202 0.000 1.182 584 T HN 0.647 nan 8.240 nan 0.000 0.495 585 R N 0.258 120.280 120.500 -0.796 0.000 2.795 585 R HA 0.710 5.050 4.340 0.000 0.000 0.275 585 R C -2.070 173.945 176.300 -0.475 0.000 0.981 585 R CA -0.872 54.781 56.100 -0.744 0.000 0.917 585 R CB 2.585 32.638 30.300 -0.413 0.000 1.202 585 R HN 0.263 nan 8.270 nan 0.000 0.469 586 L N 2.302 123.363 121.223 -0.271 0.000 2.341 586 L HA 0.633 4.973 4.340 0.000 0.000 0.278 586 L C -1.291 175.510 176.870 -0.115 0.000 1.005 586 L CA -0.603 54.189 54.840 -0.081 0.000 0.818 586 L CB 1.995 44.141 42.059 0.146 0.000 1.259 586 L HN 0.403 nan 8.230 nan 0.000 0.418 587 V N 5.052 124.879 119.914 -0.145 0.000 2.623 587 V HA 0.769 4.889 4.120 0.000 0.000 0.304 587 V C -0.949 175.182 176.094 0.062 0.000 1.054 587 V CA -0.541 61.747 62.300 -0.021 0.000 0.882 587 V CB 1.821 33.667 31.823 0.038 0.000 1.002 587 V HN 1.006 nan 8.190 nan 0.000 0.424 588 R N 4.875 125.415 120.500 0.066 0.000 2.407 588 R HA 0.839 5.179 4.340 0.000 0.000 0.303 588 R C -1.493 174.858 176.300 0.085 0.000 0.981 588 R CA -0.684 55.459 56.100 0.073 0.000 0.905 588 R CB 1.884 32.212 30.300 0.046 0.000 1.099 588 R HN 0.477 nan 8.270 nan 0.000 0.459 589 V N 3.993 123.956 119.914 0.081 0.000 2.349 589 V HA 0.274 4.394 4.120 0.000 0.000 0.284 589 V C -0.838 175.280 176.094 0.040 0.000 1.014 589 V CA -0.784 61.553 62.300 0.062 0.000 0.826 589 V CB 0.877 32.731 31.823 0.052 0.000 1.009 589 V HN 1.006 nan 8.190 nan 0.000 0.431 590 D N 2.947 123.367 120.400 0.034 0.000 2.384 590 D HA 0.202 4.842 4.640 0.000 0.000 0.250 590 D C 0.780 177.085 176.300 0.009 0.000 1.029 590 D CA -0.917 53.098 54.000 0.025 0.000 0.990 590 D CB 1.553 42.370 40.800 0.029 0.000 1.175 590 D HN 0.399 nan 8.370 nan 0.000 0.532 591 Q N -0.240 119.565 119.800 0.008 0.000 2.369 591 Q HA -0.067 4.273 4.340 0.000 0.000 0.206 591 Q C -0.080 175.909 176.000 -0.018 0.000 0.963 591 Q CA 0.609 56.409 55.803 -0.005 0.000 0.894 591 Q CB 0.064 28.804 28.738 0.004 0.000 0.965 591 Q HN 0.276 nan 8.270 nan 0.000 0.475 592 K N 2.240 122.635 120.400 -0.009 0.000 2.527 592 K HA 0.019 4.339 4.320 0.000 0.000 0.278 592 K C -2.320 174.258 176.600 -0.037 0.000 0.981 592 K CA -1.141 55.138 56.287 -0.013 0.000 1.009 592 K CB 0.252 32.755 32.500 0.005 0.000 0.895 592 K HN 0.145 nan 8.250 nan 0.000 0.493 593 P HA -0.056 nan 4.420 nan 0.000 0.269 593 P C 0.643 177.884 177.300 -0.098 0.000 1.215 593 P CA -0.002 63.051 63.100 -0.078 0.000 0.780 593 P CB 0.335 31.998 31.700 -0.062 0.000 0.898 594 I N -1.268 119.193 120.570 -0.182 0.000 2.614 594 I HA 0.177 4.347 4.170 0.000 0.000 0.258 594 I C 0.832 176.910 176.117 -0.065 0.000 1.189 594 I CA 0.829 61.963 61.300 -0.276 0.000 1.462 594 I CB -0.509 37.097 38.000 -0.656 0.000 1.092 594 I HN 0.321 nan 8.210 nan 0.000 0.442 595 G N 1.044 109.812 108.800 -0.053 0.000 2.576 595 G HA2 0.442 4.402 3.960 0.000 0.000 0.290 595 G HA3 0.442 4.402 3.960 0.000 0.000 0.290 595 G C -0.053 174.830 174.900 -0.027 0.000 1.442 595 G CA -0.719 44.378 45.100 -0.004 0.000 0.792 595 G HN 0.190 nan 8.290 nan 0.000 0.491 596 R N -1.042 119.454 120.500 -0.007 0.000 2.362 596 R HA 0.226 4.566 4.340 0.000 0.000 0.227 596 R C 0.596 176.897 176.300 0.002 0.000 0.905 596 R CA 0.555 56.655 56.100 -0.000 0.000 1.067 596 R CB 0.342 30.655 30.300 0.022 0.000 1.078 596 R HN 0.583 nan 8.270 nan 0.000 0.516 597 T N -2.726 111.806 114.554 -0.036 0.000 2.907 597 T HA 0.380 4.730 4.350 0.000 0.000 0.290 597 T C -2.461 172.103 174.700 -0.227 0.000 1.066 597 T CA -2.102 59.938 62.100 -0.100 0.000 1.012 597 T CB 2.658 71.519 68.868 -0.011 0.000 1.184 597 T HN -0.348 nan 8.240 nan 0.000 0.522 598 P HA 0.008 nan 4.420 nan 0.000 0.223 598 P C 1.686 178.870 177.300 -0.194 0.000 1.144 598 P CA 0.334 63.189 63.100 -0.409 0.000 0.783 598 P CB 0.069 31.427 31.700 -0.569 0.000 0.771 599 R N -0.264 120.185 120.500 -0.085 0.000 2.133 599 R HA -0.054 4.286 4.340 0.000 0.000 0.247 599 R C 0.999 177.370 176.300 0.118 0.000 1.151 599 R CA 1.037 57.172 56.100 0.057 0.000 0.971 599 R CB -1.218 29.142 30.300 0.099 0.000 0.866 599 R HN 0.196 nan 8.270 nan 0.000 0.447 600 S N 0.714 116.431 115.700 0.027 0.000 2.537 600 S HA 0.269 4.739 4.470 0.000 0.000 0.275 600 S C -0.298 174.288 174.600 -0.023 0.000 1.272 600 S CA -0.699 57.527 58.200 0.043 0.000 1.050 600 S CB 0.596 63.817 63.200 0.034 0.000 0.961 600 S HN 0.454 nan 8.310 nan 0.000 0.496 601 N N 2.667 121.373 118.700 0.011 0.000 3.157 601 N HA 0.325 5.065 4.740 0.000 0.000 0.291 601 N C 0.527 176.036 175.510 -0.002 0.000 1.515 601 N CA -0.933 52.090 53.050 -0.044 0.000 0.807 601 N CB 0.263 38.702 38.487 -0.080 0.000 1.672 601 N HN 0.443 nan 8.380 nan 0.000 0.592 602 M N -0.473 119.105 119.600 -0.036 0.000 2.175 602 M HA 0.042 4.522 4.480 0.000 0.000 0.264 602 M C 1.597 177.934 176.300 0.061 0.000 1.063 602 M CA 1.892 57.189 55.300 -0.005 0.000 1.119 602 M CB -0.268 32.301 32.600 -0.052 0.000 1.377 602 M HN 0.777 nan 8.290 nan 0.000 0.415 603 A N -0.884 121.955 122.820 0.032 0.000 1.858 603 A HA -0.178 4.142 4.320 0.000 0.000 0.216 603 A C 2.149 179.779 177.584 0.077 0.000 1.190 603 A CA 2.298 54.368 52.037 0.055 0.000 0.617 603 A CB -1.325 17.674 19.000 -0.002 0.000 0.827 603 A HN 0.506 nan 8.150 nan 0.000 0.443 604 T N -2.512 112.060 114.554 0.031 0.000 2.995 604 T HA -0.070 4.280 4.350 0.000 0.000 0.269 604 T C 1.618 176.368 174.700 0.083 0.000 1.091 604 T CA 1.357 63.486 62.100 0.047 0.000 1.128 604 T CB -0.336 68.535 68.868 0.005 0.000 0.891 604 T HN 0.515 nan 8.240 nan 0.000 0.492 605 Y N 1.797 122.093 120.300 -0.007 0.000 2.184 605 Y HA -0.093 4.457 4.550 0.000 0.000 0.290 605 Y C 2.800 178.698 175.900 -0.004 0.000 1.129 605 Y CA 2.111 60.205 58.100 -0.009 0.000 1.144 605 Y CB -0.513 37.935 38.460 -0.020 0.000 0.995 605 Y HN 0.331 nan 8.280 nan 0.000 0.513 606 T N -3.366 111.281 114.554 0.154 0.000 2.821 606 T HA 0.085 4.435 4.350 0.000 0.000 0.267 606 T C 1.810 176.513 174.700 0.004 0.000 1.046 606 T CA 1.251 63.392 62.100 0.068 0.000 1.139 606 T CB -0.757 68.161 68.868 0.084 0.000 0.871 606 T HN 0.680 nan 8.240 nan 0.000 0.454 607 G N 1.310 110.129 108.800 0.031 0.000 2.179 607 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 607 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 607 G C 0.689 175.621 174.900 0.053 0.000 0.990 607 G CA 0.266 45.382 45.100 0.027 0.000 0.646 607 G HN 0.927 nan 8.290 nan 0.000 0.517 608 L N -2.079 119.183 121.223 0.066 0.000 2.353 608 L HA 0.407 4.747 4.340 0.000 0.000 0.220 608 L C 2.083 179.006 176.870 0.087 0.000 1.133 608 L CA 1.892 56.757 54.840 0.041 0.000 0.798 608 L CB -0.688 41.387 42.059 0.026 0.000 0.922 608 L HN 0.100 nan 8.230 nan 0.000 0.445 609 F N 1.385 121.318 119.950 -0.028 0.000 2.365 609 F HA -0.072 4.455 4.527 0.000 0.000 0.300 609 F C 1.793 177.570 175.800 -0.038 0.000 1.090 609 F CA 1.017 59.008 58.000 -0.015 0.000 1.408 609 F CB -0.398 38.616 39.000 0.024 0.000 1.060 609 F HN 0.208 nan 8.300 nan 0.000 0.534 610 D N -0.292 120.110 120.400 0.004 0.000 2.149 610 D HA -0.203 4.437 4.640 0.000 0.000 0.198 610 D C 2.038 178.261 176.300 -0.128 0.000 0.990 610 D CA 1.398 55.355 54.000 -0.071 0.000 0.839 610 D CB -0.216 40.563 40.800 -0.034 0.000 0.948 610 D HN 0.339 nan 8.370 nan 0.000 0.460 611 Q N -0.503 119.216 119.800 -0.134 0.000 2.302 611 Q HA 0.068 4.408 4.340 0.000 0.000 0.202 611 Q C 2.159 178.024 176.000 -0.224 0.000 0.936 611 Q CA 0.207 55.913 55.803 -0.162 0.000 0.886 611 Q CB 0.176 28.819 28.738 -0.157 0.000 0.986 611 Q HN 0.141 nan 8.270 nan 0.000 0.487 612 V N 0.648 120.404 119.914 -0.263 0.000 2.283 612 V HA -0.209 3.911 4.120 0.000 0.000 0.243 612 V C 2.048 177.971 176.094 -0.286 0.000 1.039 612 V CA 1.719 63.868 62.300 -0.253 0.000 1.016 612 V CB -0.394 31.313 31.823 -0.194 0.000 0.650 612 V HN 0.278 nan 8.190 nan 0.000 0.449 613 R N 0.781 120.980 120.500 -0.502 0.000 2.159 613 R HA -0.207 4.133 4.340 0.000 0.000 0.237 613 R C 2.311 178.486 176.300 -0.208 0.000 1.131 613 R CA 1.742 57.593 56.100 -0.415 0.000 0.982 613 R CB -0.322 29.753 30.300 -0.375 0.000 0.868 613 R HN 0.692 nan 8.270 nan 0.000 0.453 614 K N 0.156 120.453 120.400 -0.171 0.000 2.243 614 K HA 0.005 4.325 4.320 0.000 0.000 0.201 614 K C 1.793 178.310 176.600 -0.138 0.000 1.051 614 K CA 0.693 56.914 56.287 -0.109 0.000 0.970 614 K CB 0.097 32.544 32.500 -0.088 0.000 0.755 614 K HN 0.018 nan 8.250 nan 0.000 0.465 615 L N 0.322 121.422 121.223 -0.206 0.000 2.217 615 L HA 0.025 4.365 4.340 0.000 0.000 0.211 615 L C 1.645 178.279 176.870 -0.393 0.000 1.107 615 L CA 1.404 56.045 54.840 -0.332 0.000 0.783 615 L CB -0.615 41.122 42.059 -0.536 0.000 0.919 615 L HN 0.210 nan 8.230 nan 0.000 0.442 616 F N -0.266 119.360 119.950 -0.540 0.000 2.748 616 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 616 F C 2.211 177.710 175.800 -0.503 0.000 1.154 616 F CA 0.548 58.121 58.000 -0.712 0.000 1.446 616 F CB -0.085 38.017 39.000 -1.498 0.000 1.112 616 F HN 0.030 nan 8.300 nan 0.000 0.584 617 A N -0.632 122.122 122.820 -0.111 0.000 2.238 617 A HA 0.402 4.722 4.320 0.000 0.000 0.210 617 A C 2.015 179.618 177.584 0.032 0.000 1.179 617 A CA 0.832 52.912 52.037 0.072 0.000 0.827 617 A CB -0.522 18.534 19.000 0.093 0.000 0.856 617 A HN 0.198 nan 8.150 nan 0.000 0.488 618 A N 0.021 122.820 122.820 -0.036 0.000 2.238 618 A HA 0.276 4.596 4.320 0.000 0.000 0.210 618 A C 1.330 178.916 177.584 0.003 0.000 1.179 618 A CA 0.886 52.913 52.037 -0.016 0.000 0.827 618 A CB -0.752 18.228 19.000 -0.033 0.000 0.856 618 A HN 0.500 nan 8.150 nan 0.000 0.488 619 T N -1.062 113.487 114.554 -0.008 0.000 2.851 619 T HA 0.319 4.669 4.350 0.000 0.000 0.298 619 T C -1.373 173.338 174.700 0.019 0.000 0.977 619 T CA -1.293 60.808 62.100 0.003 0.000 1.126 619 T CB 1.134 69.985 68.868 -0.028 0.000 0.916 619 T HN 0.116 nan 8.240 nan 0.000 0.529 620 P HA -0.086 nan 4.420 nan 0.000 0.221 620 P C 1.544 178.839 177.300 -0.008 0.000 1.145 620 P CA 0.204 63.303 63.100 -0.001 0.000 0.795 620 P CB 0.097 31.791 31.700 -0.011 0.000 0.775 621 L N -0.146 121.072 121.223 -0.008 0.000 2.156 621 L HA 0.001 4.341 4.340 0.000 0.000 0.208 621 L C 2.119 178.944 176.870 -0.075 0.000 1.095 621 L CA 1.750 56.570 54.840 -0.033 0.000 0.770 621 L CB -1.405 40.651 42.059 -0.006 0.000 0.914 621 L HN -0.049 nan 8.230 nan 0.000 0.439 622 A N -1.235 121.597 122.820 0.019 0.000 2.235 622 A HA -0.075 4.245 4.320 0.000 0.000 0.208 622 A C 2.214 179.830 177.584 0.054 0.000 1.172 622 A CA 0.617 52.704 52.037 0.083 0.000 0.786 622 A CB -0.284 18.924 19.000 0.347 0.000 0.804 622 A HN 0.269 nan 8.150 nan 0.000 0.479 623 K N -0.824 119.580 120.400 0.007 0.000 2.335 623 K HA 0.154 4.474 4.320 0.000 0.000 0.195 623 K C 1.991 178.579 176.600 -0.020 0.000 1.058 623 K CA 0.440 56.733 56.287 0.010 0.000 0.988 623 K CB -0.011 32.497 32.500 0.012 0.000 0.880 623 K HN 0.441 nan 8.250 nan 0.000 0.513 624 K N 0.687 121.054 120.400 -0.055 0.000 2.057 624 K HA 0.102 4.422 4.320 0.000 0.000 0.206 624 K C 0.743 177.296 176.600 -0.077 0.000 1.050 624 K CA 1.201 57.451 56.287 -0.062 0.000 0.935 624 K CB 0.057 32.515 32.500 -0.071 0.000 0.715 624 K HN 0.051 nan 8.250 nan 0.000 0.439 625 R N -1.394 119.014 120.500 -0.154 0.000 2.573 625 R HA 0.279 4.619 4.340 0.000 0.000 0.272 625 R C 0.673 176.965 176.300 -0.013 0.000 1.009 625 R CA 0.029 56.052 56.100 -0.129 0.000 1.059 625 R CB 0.925 31.030 30.300 -0.325 0.000 1.112 625 R HN 0.086 nan 8.270 nan 0.000 0.517 626 G N 1.240 110.095 108.800 0.092 0.000 3.397 626 G HA2 -0.044 3.916 3.960 0.000 0.000 0.248 626 G HA3 -0.044 3.916 3.960 0.000 0.000 0.248 626 G C -0.585 174.457 174.900 0.236 0.000 1.284 626 G CA -0.094 45.084 45.100 0.131 0.000 1.570 626 G HN 0.378 nan 8.290 nan 0.000 0.587 627 Y N 1.355 121.685 120.300 0.050 0.000 2.828 627 Y HA -0.031 4.519 4.550 -0.000 0.000 0.364 627 Y C 1.173 177.127 175.900 0.090 0.000 1.277 627 Y CA -1.003 57.122 58.100 0.042 0.000 1.713 627 Y CB -0.506 38.025 38.460 0.117 0.000 1.278 627 Y HN 0.329 nan 8.280 nan 0.000 0.502 628 N N 2.151 120.924 118.700 0.121 0.000 2.497 628 N HA 0.243 4.983 4.740 0.000 0.000 0.271 628 N C -0.183 175.396 175.510 0.116 0.000 1.142 628 N CA -0.451 52.656 53.050 0.096 0.000 0.965 628 N CB 0.631 39.138 38.487 0.033 0.000 1.077 628 N HN 0.641 nan 8.380 nan 0.000 0.462 629 A N 3.041 125.969 122.820 0.180 0.000 2.594 629 A HA 0.284 4.604 4.320 0.000 0.000 0.291 629 A C 1.175 178.822 177.584 0.105 0.000 1.374 629 A CA 0.689 52.854 52.037 0.213 0.000 1.025 629 A CB -1.069 18.005 19.000 0.123 0.000 1.072 629 A HN 0.963 nan 8.150 nan 0.000 0.555 630 G N 1.606 110.455 108.800 0.081 0.000 3.658 630 G HA2 -0.089 3.871 3.960 0.000 0.000 0.220 630 G HA3 -0.089 3.871 3.960 0.000 0.000 0.220 630 G C 1.001 175.836 174.900 -0.109 0.000 0.917 630 G CA 0.091 45.185 45.100 -0.010 0.000 0.865 630 G HN 0.539 nan 8.290 nan 0.000 0.652 631 R N -0.528 119.794 120.500 -0.296 0.000 2.210 631 R HA 0.254 4.594 4.340 0.000 0.000 0.203 631 R C 1.299 177.274 176.300 -0.543 0.000 1.010 631 R CA 0.625 56.385 56.100 -0.567 0.000 1.008 631 R CB -0.144 29.529 30.300 -1.045 0.000 0.923 631 R HN 0.384 nan 8.270 nan 0.000 0.469 632 F N -0.368 119.547 119.950 -0.058 0.000 2.765 632 F HA 0.171 4.698 4.527 0.000 0.000 0.302 632 F C 1.067 176.980 175.800 0.188 0.000 1.111 632 F CA -0.093 57.871 58.000 -0.059 0.000 1.359 632 F CB 0.212 39.040 39.000 -0.287 0.000 1.097 632 F HN -0.234 nan 8.300 nan 0.000 0.577 633 S N 0.821 116.661 115.700 0.234 0.000 2.513 633 S HA 0.207 4.677 4.470 0.000 0.000 0.276 633 S C 0.737 175.429 174.600 0.153 0.000 1.254 633 S CA -0.666 57.631 58.200 0.162 0.000 1.053 633 S CB 0.218 63.418 63.200 0.001 0.000 0.958 633 S HN 0.302 nan 8.310 nan 0.000 0.491 634 F N 3.477 123.526 119.950 0.165 0.000 2.797 634 F HA 0.391 4.918 4.527 -0.000 0.000 0.302 634 F C 0.951 176.726 175.800 -0.041 0.000 1.130 634 F CA -0.197 57.757 58.000 -0.077 0.000 1.387 634 F CB -0.789 38.043 39.000 -0.280 0.000 1.107 634 F HN 0.536 nan 8.300 nan 0.000 0.577 635 N N 0.018 118.596 118.700 -0.204 0.000 2.299 635 N HA 0.162 4.902 4.740 0.000 0.000 0.187 635 N C -0.750 174.727 175.510 -0.054 0.000 1.099 635 N CA 0.046 53.022 53.050 -0.123 0.000 0.867 635 N CB 0.829 39.186 38.487 -0.218 0.000 0.974 635 N HN 0.119 nan 8.380 nan 0.000 0.477 636 V N 0.300 120.189 119.914 -0.041 0.000 2.789 636 V HA 0.296 4.416 4.120 0.000 0.000 0.311 636 V C -0.135 175.947 176.094 -0.020 0.000 1.073 636 V CA -1.368 60.915 62.300 -0.028 0.000 0.921 636 V CB 2.242 34.044 31.823 -0.034 0.000 1.009 636 V HN -0.026 nan 8.190 nan 0.000 0.426 637 K N 1.599 121.988 120.400 -0.019 0.000 2.469 637 K HA 0.477 4.797 4.320 0.000 0.000 0.274 637 K C 1.024 177.604 176.600 -0.034 0.000 0.983 637 K CA 1.088 57.363 56.287 -0.020 0.000 0.974 637 K CB 0.467 32.957 32.500 -0.017 0.000 0.913 637 K HN 1.177 nan 8.250 nan 0.000 0.493 638 G N 1.336 110.114 108.800 -0.036 0.000 1.676 638 G HA2 -0.214 3.746 3.960 0.000 0.000 0.199 638 G HA3 -0.214 3.746 3.960 0.000 0.000 0.199 638 G C 0.763 175.619 174.900 -0.073 0.000 1.990 638 G CA -0.220 44.843 45.100 -0.062 0.000 1.393 638 G HN 0.662 nan 8.290 nan 0.000 0.449 639 G N 1.660 110.395 108.800 -0.109 0.000 2.985 639 G HA2 0.422 4.382 3.960 0.000 0.000 0.209 639 G HA3 0.422 4.382 3.960 0.000 0.000 0.209 639 G C 0.797 175.747 174.900 0.084 0.000 1.165 639 G CA 1.088 46.126 45.100 -0.103 0.000 0.776 639 G HN 0.884 nan 8.290 nan 0.000 0.541 640 R N -1.392 119.136 120.500 0.047 0.000 2.553 640 R HA 0.561 4.901 4.340 0.000 0.000 0.263 640 R C -0.097 176.203 176.300 0.001 0.000 1.066 640 R CA -0.754 55.349 56.100 0.005 0.000 1.135 640 R CB 0.190 30.475 30.300 -0.025 0.000 1.148 640 R HN -0.016 nan 8.270 nan 0.000 0.558 641 C N 1.064 120.342 119.300 -0.036 0.000 2.652 641 C HA 0.165 4.625 4.460 0.000 0.000 0.412 641 C C 0.374 175.371 174.990 0.011 0.000 1.294 641 C CA -0.166 58.849 59.018 -0.004 0.000 2.127 641 C CB -0.185 27.540 27.740 -0.025 0.000 2.691 641 C HN 0.859 nan 8.230 nan 0.000 0.615 642 E N 2.057 122.278 120.200 0.034 0.000 2.815 642 E HA 0.117 4.467 4.350 0.000 0.000 0.211 642 E C 0.122 176.749 176.600 0.045 0.000 1.004 642 E CA 0.259 56.675 56.400 0.027 0.000 1.173 642 E CB 0.145 29.852 29.700 0.010 0.000 1.163 642 E HN 0.939 nan 8.360 nan 0.000 0.449 643 H N -1.331 117.730 119.070 -0.014 0.000 2.926 643 H HA 0.044 4.600 4.556 -0.000 0.000 0.249 643 H C 1.780 177.107 175.328 -0.000 0.000 0.963 643 H CA 0.905 56.947 56.048 -0.009 0.000 1.158 643 H CB 0.634 30.386 29.762 -0.017 0.000 1.445 643 H HN 0.288 nan 8.280 nan 0.000 0.452 644 C N 1.038 120.429 119.300 0.151 0.000 3.038 644 C HA 0.190 4.650 4.460 0.000 0.000 0.279 644 C C 0.935 175.959 174.990 0.057 0.000 1.276 644 C CA 0.179 59.259 59.018 0.104 0.000 1.697 644 C CB -0.062 27.715 27.740 0.062 0.000 2.032 644 C HN 0.751 nan 8.230 nan 0.000 0.636 645 Q N 1.231 121.053 119.800 0.036 0.000 2.435 645 Q HA -0.208 4.132 4.340 0.000 0.000 0.286 645 Q C 0.977 176.996 176.000 0.032 0.000 1.229 645 Q CA 1.254 57.072 55.803 0.025 0.000 0.884 645 Q CB -2.545 26.207 28.738 0.024 0.000 1.245 645 Q HN 1.868 nan 8.270 nan 0.000 0.488 646 G N -0.675 108.120 108.800 -0.009 0.000 2.176 646 G HA2 -0.307 3.653 3.960 0.000 0.000 0.232 646 G HA3 -0.307 3.653 3.960 0.000 0.000 0.232 646 G C 0.572 175.424 174.900 -0.079 0.000 0.986 646 G CA 0.308 45.389 45.100 -0.032 0.000 0.643 646 G HN 0.453 nan 8.290 nan 0.000 0.522 647 E N 0.033 120.221 120.200 -0.019 0.000 2.150 647 E HA 0.205 4.555 4.350 0.000 0.000 0.193 647 E C 2.196 178.793 176.600 -0.005 0.000 0.985 647 E CA 0.883 57.278 56.400 -0.009 0.000 0.814 647 E CB -0.247 29.494 29.700 0.068 0.000 0.752 647 E HN 1.475 nan 8.360 nan 0.000 0.466 648 G N 0.522 109.268 108.800 -0.090 0.000 2.184 648 G HA2 -0.252 3.708 3.960 0.000 0.000 0.264 648 G HA3 -0.252 3.708 3.960 0.000 0.000 0.264 648 G C -0.404 174.217 174.900 -0.463 0.000 0.975 648 G CA 0.722 45.667 45.100 -0.259 0.000 0.642 648 G HN 0.186 nan 8.290 nan 0.000 0.536 649 W N -1.268 119.993 121.300 -0.066 0.000 3.118 649 W HA 0.649 5.309 4.660 0.000 0.000 0.328 649 W C -0.172 176.423 176.519 0.126 0.000 1.239 649 W CA -0.524 56.825 57.345 0.006 0.000 1.176 649 W CB 1.648 31.054 29.460 -0.090 0.000 1.433 649 W HN 0.619 nan 8.180 nan 0.000 0.562 650 V N 0.122 120.308 119.914 0.453 0.000 2.789 650 V HA 0.650 4.770 4.120 0.000 0.000 0.311 650 V C -0.549 175.717 176.094 0.286 0.000 1.073 650 V CA -1.430 61.073 62.300 0.338 0.000 0.921 650 V CB 1.538 33.474 31.823 0.188 0.000 1.009 650 V HN 0.603 nan 8.190 nan 0.000 0.426 651 M N 3.697 123.367 119.600 0.118 0.000 2.228 651 M HA 0.626 5.106 4.480 0.000 0.000 0.351 651 M C -0.440 175.828 176.300 -0.053 0.000 1.233 651 M CA 0.576 55.783 55.300 -0.155 0.000 1.129 651 M CB 1.039 33.547 32.600 -0.155 0.000 1.604 651 M HN 0.881 nan 8.290 nan 0.000 0.457 659 S N 0.111 115.821 115.700 0.016 0.000 2.451 659 S HA 0.774 5.244 4.470 0.000 0.000 0.301 659 S C -0.334 174.250 174.600 -0.026 0.000 1.116 659 S CA -0.415 57.773 58.200 -0.021 0.000 1.093 659 S CB 0.431 63.585 63.200 -0.077 0.000 1.017 659 S HN 0.467 nan 8.310 nan 0.000 0.482 660 V N 2.943 122.841 119.914 -0.027 0.000 3.001 660 V HA 0.691 4.811 4.120 0.000 0.000 0.314 660 V C -1.476 174.564 176.094 -0.091 0.000 1.099 660 V CA -0.994 61.311 62.300 0.007 0.000 0.989 660 V CB 1.016 32.915 31.823 0.127 0.000 1.040 660 V HN 0.804 nan 8.190 nan 0.000 0.434 661 Y N 0.884 121.207 120.300 0.038 0.000 2.376 661 Y HA 0.830 5.380 4.550 -0.000 0.000 0.325 661 Y C 0.624 176.624 175.900 0.167 0.000 1.199 661 Y CA 0.393 58.539 58.100 0.077 0.000 1.206 661 Y CB 2.014 40.471 38.460 -0.005 0.000 1.229 661 Y HN 1.120 nan 8.280 nan 0.000 0.480 662 A N 3.012 126.110 122.820 0.465 0.000 2.423 662 A HA 0.782 5.102 4.320 0.000 0.000 0.304 662 A C -2.971 174.865 177.584 0.420 0.000 1.104 662 A CA -2.188 50.069 52.037 0.365 0.000 0.757 662 A CB 1.284 20.373 19.000 0.148 0.000 1.313 662 A HN 0.429 nan 8.150 nan 0.000 0.423 663 P HA 0.249 nan 4.420 nan 0.000 0.275 663 P C -0.161 177.034 177.300 -0.176 0.000 1.228 663 P CA -0.382 62.536 63.100 -0.303 0.000 0.786 663 P CB 0.453 32.007 31.700 -0.244 0.000 0.927 664 C N 5.393 124.532 119.300 -0.269 0.000 2.634 664 C HA 0.108 4.568 4.460 0.000 0.000 0.418 664 C C -0.853 174.004 174.990 -0.222 0.000 1.373 664 C CA -1.071 57.831 59.018 -0.193 0.000 1.756 664 C CB -0.868 26.760 27.740 -0.187 0.000 2.589 664 C HN 0.539 nan 8.230 nan 0.000 0.602 665 P HA -0.065 nan 4.420 nan 0.000 0.222 665 P C 1.202 178.325 177.300 -0.296 0.000 1.147 665 P CA 1.073 63.963 63.100 -0.351 0.000 0.790 665 P CB 0.116 31.530 31.700 -0.476 0.000 0.780 666 V N -0.378 119.382 119.914 -0.257 0.000 2.602 666 V HA -0.095 4.025 4.120 0.000 0.000 0.235 666 V C 2.503 178.562 176.094 -0.058 0.000 1.087 666 V CA 1.652 63.880 62.300 -0.120 0.000 1.117 666 V CB -1.112 30.692 31.823 -0.031 0.000 0.820 666 V HN 0.207 nan 8.190 nan 0.000 0.490 667 C N -0.951 118.319 119.300 -0.050 0.000 2.562 667 C HA 0.178 4.638 4.460 0.000 0.000 0.266 667 C C 1.309 176.301 174.990 0.004 0.000 1.382 667 C CA 0.128 59.134 59.018 -0.020 0.000 1.742 667 C CB -1.615 26.101 27.740 -0.042 0.000 1.812 667 C HN 0.811 nan 8.230 nan 0.000 0.559 668 H N 1.455 120.419 119.070 -0.177 0.000 2.750 668 H HA -0.027 4.529 4.556 0.000 0.000 0.327 668 H C 0.992 176.151 175.328 -0.281 0.000 1.199 668 H CA 0.927 56.852 56.048 -0.205 0.000 1.149 668 H CB -1.575 28.107 29.762 -0.132 0.000 1.543 668 H HN 1.616 nan 8.280 nan 0.000 0.427 669 G N 1.135 109.733 108.800 -0.337 0.000 2.374 669 G HA2 -0.193 3.767 3.960 0.000 0.000 0.289 669 G HA3 -0.193 3.767 3.960 0.000 0.000 0.289 669 G C 0.811 175.495 174.900 -0.360 0.000 1.004 669 G CA 0.984 45.707 45.100 -0.628 0.000 1.292 669 G HN 0.865 nan 8.290 nan 0.000 0.502 670 T N -0.791 113.608 114.554 -0.259 0.000 3.367 670 T HA 0.218 4.568 4.350 0.000 0.000 0.273 670 T C 1.560 176.204 174.700 -0.092 0.000 0.879 670 T CA 0.688 62.731 62.100 -0.094 0.000 0.952 670 T CB 0.318 69.183 68.868 -0.006 0.000 1.236 670 T HN 0.830 nan 8.240 nan 0.000 0.532 671 R N -1.145 119.229 120.500 -0.210 0.000 3.205 671 R HA -0.125 4.215 4.340 0.000 0.000 0.425 671 R C -1.015 175.029 176.300 -0.427 0.000 0.465 671 R CA 0.999 56.858 56.100 -0.401 0.000 1.455 671 R CB -1.293 28.583 30.300 -0.707 0.000 1.999 671 R HN 0.411 nan 8.270 nan 0.000 0.317 672 Y N 1.766 122.067 120.300 0.002 0.000 2.509 672 Y HA 0.349 4.899 4.550 -0.000 0.000 0.341 672 Y C 0.745 176.655 175.900 0.017 0.000 1.038 672 Y CA -1.042 57.073 58.100 0.025 0.000 1.089 672 Y CB 0.867 39.355 38.460 0.047 0.000 1.241 672 Y HN 0.096 nan 8.280 nan 0.000 0.468 673 N N 0.262 119.075 118.700 0.188 0.000 2.347 673 N HA 0.298 5.038 4.740 0.000 0.000 0.253 673 N C 0.702 176.283 175.510 0.117 0.000 1.274 673 N CA 0.047 53.165 53.050 0.112 0.000 0.941 673 N CB 0.447 38.979 38.487 0.074 0.000 1.200 673 N HN 0.724 nan 8.380 nan 0.000 0.514 674 A N -0.736 122.137 122.820 0.090 0.000 1.972 674 A HA -0.175 4.145 4.320 0.000 0.000 0.219 674 A C 1.980 179.628 177.584 0.106 0.000 1.169 674 A CA 1.362 53.452 52.037 0.088 0.000 0.635 674 A CB -0.929 18.112 19.000 0.068 0.000 0.810 674 A HN 0.863 nan 8.150 nan 0.000 0.446 675 E N -0.843 119.424 120.200 0.113 0.000 2.047 675 E HA -0.131 4.219 4.350 0.000 0.000 0.191 675 E C 1.963 178.701 176.600 0.231 0.000 0.987 675 E CA 1.512 58.008 56.400 0.161 0.000 0.799 675 E CB -0.072 29.724 29.700 0.160 0.000 0.752 675 E HN 0.546 nan 8.360 nan 0.000 0.449 676 T N 1.293 115.933 114.554 0.144 0.000 2.746 676 T HA -0.089 4.261 4.350 0.000 0.000 0.267 676 T C 1.528 176.348 174.700 0.199 0.000 1.039 676 T CA 0.733 62.899 62.100 0.110 0.000 1.142 676 T CB -0.053 68.772 68.868 -0.072 0.000 0.866 676 T HN 0.141 nan 8.240 nan 0.000 0.444 677 L N 1.131 122.441 121.223 0.146 0.000 2.682 677 L HA 0.151 4.491 4.340 0.000 0.000 0.240 677 L C 1.605 178.568 176.870 0.154 0.000 1.178 677 L CA 0.524 55.448 54.840 0.139 0.000 0.970 677 L CB -0.296 41.829 42.059 0.109 0.000 1.179 677 L HN 0.298 nan 8.230 nan 0.000 0.435 678 E N -0.870 119.441 120.200 0.184 0.000 2.481 678 E HA 0.110 4.460 4.350 0.000 0.000 0.198 678 E C -0.232 176.470 176.600 0.170 0.000 1.027 678 E CA -0.114 56.376 56.400 0.149 0.000 0.900 678 E CB 0.969 30.742 29.700 0.121 0.000 0.993 678 E HN 0.133 nan 8.360 nan 0.000 0.482 679 V N 1.949 122.023 119.914 0.267 0.000 2.384 679 V HA 0.249 4.369 4.120 0.000 0.000 0.287 679 V C -0.230 176.052 176.094 0.314 0.000 1.020 679 V CA -0.553 61.926 62.300 0.298 0.000 0.850 679 V CB 1.552 33.673 31.823 0.497 0.000 0.987 679 V HN 0.055 nan 8.190 nan 0.000 0.436 680 E N 2.938 123.236 120.200 0.163 0.000 2.199 680 E HA 0.391 4.741 4.350 0.000 0.000 0.269 680 E C -1.671 174.900 176.600 -0.049 0.000 0.899 680 E CA -0.821 55.651 56.400 0.121 0.000 0.772 680 E CB 2.697 32.443 29.700 0.076 0.000 1.155 680 E HN 0.656 nan 8.360 nan 0.000 0.408 681 Y N 3.403 123.522 120.300 -0.302 0.000 2.434 681 Y HA 0.189 4.739 4.550 -0.000 0.000 0.341 681 Y C -0.261 175.630 175.900 -0.015 0.000 0.965 681 Y CA -0.623 57.262 58.100 -0.358 0.000 1.205 681 Y CB 0.282 38.304 38.460 -0.731 0.000 1.121 681 Y HN 0.535 nan 8.280 nan 0.000 0.507 682 R N 4.475 124.716 120.500 -0.432 0.000 3.059 682 R HA -0.207 4.133 4.340 0.000 0.000 0.251 682 R C 0.959 177.250 176.300 -0.016 0.000 0.886 682 R CA 0.861 56.797 56.100 -0.274 0.000 0.634 682 R CB -1.910 28.127 30.300 -0.439 0.000 1.282 682 R HN 1.282 nan 8.270 nan 0.000 0.487 683 G N 0.239 109.015 108.800 -0.041 0.000 2.233 683 G HA2 -0.356 3.604 3.960 0.000 0.000 0.270 683 G HA3 -0.356 3.604 3.960 0.000 0.000 0.270 683 G C -0.063 174.836 174.900 -0.001 0.000 1.011 683 G CA 0.993 46.087 45.100 -0.010 0.000 0.762 683 G HN 0.421 nan 8.290 nan 0.000 0.511 684 K N 0.243 120.666 120.400 0.038 0.000 2.507 684 K HA 0.279 4.599 4.320 0.000 0.000 0.252 684 K C 0.002 176.742 176.600 0.232 0.000 0.943 684 K CA -0.793 55.524 56.287 0.051 0.000 0.808 684 K CB 1.363 33.797 32.500 -0.111 0.000 1.142 684 K HN 0.239 nan 8.250 nan 0.000 0.426 685 N N 1.188 120.017 118.700 0.215 0.000 2.317 685 N HA 0.055 4.795 4.740 0.000 0.000 0.245 685 N C 1.286 177.003 175.510 0.345 0.000 1.294 685 N CA -0.396 52.840 53.050 0.310 0.000 0.924 685 N CB 0.522 39.106 38.487 0.161 0.000 1.186 685 N HN 0.480 nan 8.380 nan 0.000 0.495 686 I N 0.406 121.007 120.570 0.053 0.000 2.394 686 I HA -0.144 4.026 4.170 0.000 0.000 0.251 686 I C 1.763 177.855 176.117 -0.042 0.000 1.136 686 I CA 1.175 62.245 61.300 -0.384 0.000 1.425 686 I CB -0.425 37.038 38.000 -0.895 0.000 1.079 686 I HN 0.667 nan 8.210 nan 0.000 0.425 687 A N -0.250 122.580 122.820 0.018 0.000 1.897 687 A HA -0.153 4.167 4.320 0.000 0.000 0.215 687 A C 1.940 179.581 177.584 0.094 0.000 1.181 687 A CA 1.740 53.849 52.037 0.120 0.000 0.620 687 A CB -0.809 18.267 19.000 0.128 0.000 0.821 687 A HN 0.416 nan 8.150 nan 0.000 0.443 688 D N 0.089 120.535 120.400 0.077 0.000 2.104 688 D HA -0.159 4.481 4.640 0.000 0.000 0.194 688 D C 2.137 178.454 176.300 0.028 0.000 0.994 688 D CA 2.069 56.092 54.000 0.038 0.000 0.830 688 D CB -0.571 40.240 40.800 0.019 0.000 0.959 688 D HN 0.441 nan 8.370 nan 0.000 0.452 689 V N -1.052 118.916 119.914 0.089 0.000 2.626 689 V HA -0.132 3.988 4.120 0.000 0.000 0.252 689 V C 2.208 178.410 176.094 0.181 0.000 1.067 689 V CA 1.155 63.537 62.300 0.137 0.000 1.081 689 V CB -0.888 31.144 31.823 0.348 0.000 0.686 689 V HN 0.148 nan 8.190 nan 0.000 0.468 690 L N 0.635 121.960 121.223 0.169 0.000 2.217 690 L HA 0.140 4.480 4.340 0.000 0.000 0.211 690 L C 2.753 179.670 176.870 0.079 0.000 1.107 690 L CA 1.186 56.107 54.840 0.135 0.000 0.783 690 L CB -0.584 41.550 42.059 0.124 0.000 0.919 690 L HN 0.412 nan 8.230 nan 0.000 0.442 691 A N -0.602 122.255 122.820 0.063 0.000 2.235 691 A HA 0.077 4.397 4.320 0.000 0.000 0.208 691 A C 0.703 178.307 177.584 0.033 0.000 1.172 691 A CA 0.134 52.194 52.037 0.039 0.000 0.786 691 A CB -0.351 18.664 19.000 0.024 0.000 0.804 691 A HN 0.159 nan 8.150 nan 0.000 0.479 692 L N 1.042 122.293 121.223 0.048 0.000 2.361 692 L HA 0.197 4.537 4.340 0.000 0.000 0.278 692 L C 0.892 177.805 176.870 0.071 0.000 1.113 692 L CA 0.594 55.464 54.840 0.049 0.000 0.849 692 L CB 0.464 42.561 42.059 0.062 0.000 1.155 692 L HN 0.101 nan 8.230 nan 0.000 0.452 693 T N 2.601 117.191 114.554 0.060 0.000 2.908 693 T HA 0.020 4.370 4.350 0.000 0.000 0.325 693 T C 1.638 176.393 174.700 0.091 0.000 1.092 693 T CA -0.215 61.923 62.100 0.063 0.000 1.125 693 T CB 0.759 69.668 68.868 0.067 0.000 1.016 693 T HN 0.407 nan 8.240 nan 0.000 0.550 694 V N 3.040 122.996 119.914 0.069 0.000 2.287 694 V HA -0.157 3.963 4.120 0.000 0.000 0.248 694 V C 2.301 178.488 176.094 0.155 0.000 1.053 694 V CA 1.842 64.205 62.300 0.104 0.000 1.027 694 V CB -0.465 31.383 31.823 0.041 0.000 0.646 694 V HN 0.817 nan 8.190 nan 0.000 0.447 695 D N -0.193 120.272 120.400 0.108 0.000 2.149 695 D HA -0.184 4.456 4.640 0.000 0.000 0.198 695 D C 2.225 178.626 176.300 0.169 0.000 0.990 695 D CA 1.464 55.527 54.000 0.104 0.000 0.839 695 D CB -0.123 40.715 40.800 0.062 0.000 0.948 695 D HN 0.596 nan 8.370 nan 0.000 0.460 696 E N 0.428 120.719 120.200 0.152 0.000 2.046 696 E HA -0.035 4.315 4.350 0.000 0.000 0.190 696 E C 2.128 178.863 176.600 0.225 0.000 0.982 696 E CA 0.922 57.414 56.400 0.154 0.000 0.800 696 E CB -0.062 29.690 29.700 0.087 0.000 0.756 696 E HN 0.181 nan 8.360 nan 0.000 0.449 697 A N 1.370 124.347 122.820 0.262 0.000 2.019 697 A HA -0.234 4.086 4.320 0.000 0.000 0.219 697 A C 2.023 179.900 177.584 0.488 0.000 1.164 697 A CA 1.509 53.788 52.037 0.403 0.000 0.644 697 A CB -0.733 18.541 19.000 0.456 0.000 0.805 697 A HN 0.352 nan 8.150 nan 0.000 0.449 698 H N 0.058 119.315 119.070 0.311 0.000 2.421 698 H HA -0.132 4.424 4.556 0.000 0.000 0.298 698 H C 1.147 176.653 175.328 0.297 0.000 1.087 698 H CA 1.990 58.235 56.048 0.329 0.000 1.330 698 H CB -0.003 29.903 29.762 0.241 0.000 1.388 698 H HN 0.480 nan 8.280 nan 0.000 0.526 699 D N -0.491 120.127 120.400 0.363 0.000 2.162 699 D HA -0.075 4.565 4.640 0.000 0.000 0.205 699 D C 1.908 178.293 176.300 0.142 0.000 0.964 699 D CA 0.652 54.791 54.000 0.232 0.000 0.847 699 D CB -0.556 40.369 40.800 0.210 0.000 0.988 699 D HN 0.323 nan 8.370 nan 0.000 0.480 700 F N -0.463 119.475 119.950 -0.020 0.000 2.325 700 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 700 F C 0.726 176.355 175.800 -0.285 0.000 1.090 700 F CA 0.910 58.791 58.000 -0.198 0.000 1.392 700 F CB 0.149 38.958 39.000 -0.318 0.000 1.053 700 F HN -0.133 nan 8.300 nan 0.000 0.521 701 F N -0.327 119.655 119.950 0.052 0.000 2.850 701 F HA 0.366 4.893 4.527 -0.000 0.000 0.306 701 F C 1.567 177.322 175.800 -0.075 0.000 1.162 701 F CA -0.148 57.830 58.000 -0.036 0.000 1.327 701 F CB -0.068 39.008 39.000 0.126 0.000 0.953 701 F HN -0.014 nan 8.300 nan 0.000 0.507 702 A N 0.135 122.928 122.820 -0.045 0.000 2.259 702 A HA -0.161 4.159 4.320 0.000 0.000 0.212 702 A C 1.554 178.951 177.584 -0.311 0.000 1.178 702 A CA 1.845 53.721 52.037 -0.269 0.000 0.734 702 A CB -0.547 18.310 19.000 -0.239 0.000 0.774 702 A HN 0.517 nan 8.150 nan 0.000 0.481 703 D N -1.923 118.396 120.400 -0.134 0.000 2.480 703 D HA -0.002 4.638 4.640 0.000 0.000 0.243 703 D C -0.137 176.147 176.300 -0.026 0.000 1.120 703 D CA -0.021 53.914 54.000 -0.108 0.000 0.835 703 D CB -0.453 40.293 40.800 -0.090 0.000 1.204 703 D HN 0.178 nan 8.370 nan 0.000 0.513 704 E N 1.581 121.812 120.200 0.053 0.000 1.861 704 E HA 0.097 4.447 4.350 0.000 0.000 0.263 704 E C 0.778 177.413 176.600 0.059 0.000 1.137 704 E CA -0.094 56.331 56.400 0.043 0.000 0.944 704 E CB 1.354 31.070 29.700 0.028 0.000 1.092 704 E HN 0.102 nan 8.360 nan 0.000 0.420 705 S N 3.049 118.784 115.700 0.059 0.000 2.378 705 S HA -0.291 4.179 4.470 0.000 0.000 0.229 705 S C 1.821 176.476 174.600 0.092 0.000 1.052 705 S CA 1.784 60.057 58.200 0.122 0.000 1.084 705 S CB 0.117 63.364 63.200 0.078 0.000 0.950 705 S HN 0.589 nan 8.310 nan 0.000 0.440 706 A N -0.005 122.826 122.820 0.018 0.000 2.178 706 A HA 0.094 4.414 4.320 0.000 0.000 0.218 706 A C 1.869 179.429 177.584 -0.041 0.000 1.157 706 A CA 1.262 53.290 52.037 -0.015 0.000 0.689 706 A CB -0.553 18.425 19.000 -0.037 0.000 0.787 706 A HN 0.685 nan 8.150 nan 0.000 0.465 707 I N -3.074 117.465 120.570 -0.051 0.000 2.947 707 I HA 0.053 4.223 4.170 0.000 0.000 0.263 707 I C 2.112 178.245 176.117 0.028 0.000 1.130 707 I CA 0.447 61.692 61.300 -0.092 0.000 1.448 707 I CB -0.417 37.369 38.000 -0.357 0.000 1.222 707 I HN 0.324 nan 8.210 nan 0.000 0.453 708 F N 2.708 122.636 119.950 -0.036 0.000 2.091 708 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 708 F C 2.606 178.411 175.800 0.008 0.000 1.103 708 F CA 1.875 59.865 58.000 -0.015 0.000 1.228 708 F CB -0.319 38.649 39.000 -0.054 0.000 0.984 708 F HN -0.184 nan 8.300 nan 0.000 0.477 709 R N 0.621 120.974 120.500 -0.245 0.000 2.091 709 R HA -0.115 4.225 4.340 0.000 0.000 0.238 709 R C 2.354 178.518 176.300 -0.228 0.000 1.136 709 R CA 1.649 57.556 56.100 -0.322 0.000 0.959 709 R CB -1.016 29.235 30.300 -0.081 0.000 0.856 709 R HN 0.434 nan 8.270 nan 0.000 0.437 710 A N -0.035 122.714 122.820 -0.119 0.000 1.930 710 A HA -0.051 4.269 4.320 0.000 0.000 0.217 710 A C 2.118 179.670 177.584 -0.053 0.000 1.175 710 A CA 1.137 53.134 52.037 -0.066 0.000 0.627 710 A CB -0.452 18.531 19.000 -0.029 0.000 0.815 710 A HN 0.328 nan 8.150 nan 0.000 0.443 711 L N -0.746 120.451 121.223 -0.043 0.000 2.201 711 L HA -0.132 4.208 4.340 0.000 0.000 0.212 711 L C 2.090 178.968 176.870 0.014 0.000 1.105 711 L CA 1.360 56.220 54.840 0.034 0.000 0.775 711 L CB -0.415 41.734 42.059 0.150 0.000 0.913 711 L HN 0.300 nan 8.230 nan 0.000 0.440 712 D N -0.509 119.819 120.400 -0.119 0.000 2.277 712 D HA -0.130 4.510 4.640 0.000 0.000 0.208 712 D C 2.163 178.410 176.300 -0.090 0.000 0.962 712 D CA 1.383 55.309 54.000 -0.124 0.000 0.865 712 D CB 0.242 40.810 40.800 -0.387 0.000 0.939 712 D HN 0.325 nan 8.370 nan 0.000 0.510 713 T N -1.790 112.713 114.554 -0.085 0.000 2.851 713 T HA -0.051 4.299 4.350 0.000 0.000 0.262 713 T C 2.314 176.989 174.700 -0.043 0.000 1.043 713 T CA 0.489 62.554 62.100 -0.059 0.000 1.140 713 T CB -0.630 68.207 68.868 -0.051 0.000 0.872 713 T HN 0.123 nan 8.240 nan 0.000 0.446 714 L N 0.350 121.552 121.223 -0.035 0.000 2.131 714 L HA -0.025 4.315 4.340 0.000 0.000 0.210 714 L C 3.206 180.054 176.870 -0.037 0.000 1.092 714 L CA 1.367 56.185 54.840 -0.036 0.000 0.759 714 L CB -0.479 41.563 42.059 -0.029 0.000 0.903 714 L HN 0.210 nan 8.230 nan 0.000 0.435 715 R N -0.123 120.361 120.500 -0.027 0.000 2.073 715 R HA -0.119 4.221 4.340 0.000 0.000 0.229 715 R C 2.201 178.488 176.300 -0.023 0.000 1.120 715 R CA 1.111 57.194 56.100 -0.028 0.000 0.967 715 R CB -0.197 30.070 30.300 -0.054 0.000 0.862 715 R HN 0.379 nan 8.270 nan 0.000 0.436 716 E N 0.164 120.347 120.200 -0.028 0.000 2.085 716 E HA -0.182 4.168 4.350 0.000 0.000 0.194 716 E C 1.922 178.511 176.600 -0.018 0.000 0.994 716 E CA 1.356 57.743 56.400 -0.023 0.000 0.801 716 E CB -0.007 29.676 29.700 -0.029 0.000 0.743 716 E HN 0.075 nan 8.360 nan 0.000 0.453 717 V N -0.487 119.413 119.914 -0.024 0.000 2.626 717 V HA -0.101 4.019 4.120 0.000 0.000 0.252 717 V C 1.533 177.625 176.094 -0.002 0.000 1.067 717 V CA 1.606 63.892 62.300 -0.023 0.000 1.081 717 V CB 0.044 31.845 31.823 -0.036 0.000 0.686 717 V HN 0.626 nan 8.190 nan 0.000 0.468 718 G N -0.594 108.211 108.800 0.008 0.000 2.159 718 G HA2 -0.165 3.795 3.960 0.000 0.000 0.170 718 G HA3 -0.165 3.795 3.960 0.000 0.000 0.170 718 G C 0.291 175.249 174.900 0.097 0.000 1.007 718 G CA 0.039 45.176 45.100 0.061 0.000 0.672 718 G HN 0.409 nan 8.290 nan 0.000 0.507 719 L N 1.429 122.626 121.223 -0.042 0.000 2.912 719 L HA 0.378 4.718 4.340 0.000 0.000 0.240 719 L C 2.176 178.891 176.870 -0.259 0.000 1.262 719 L CA 0.387 55.063 54.840 -0.273 0.000 1.058 719 L CB 0.106 42.009 42.059 -0.261 0.000 1.383 719 L HN 0.218 nan 8.230 nan 0.000 0.512 720 G N 0.098 108.866 108.800 -0.054 0.000 2.509 720 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 720 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 720 G C 1.225 176.148 174.900 0.038 0.000 1.124 720 G CA 0.484 45.586 45.100 0.005 0.000 0.776 720 G HN 0.648 nan 8.290 nan 0.000 0.547 721 Y N -0.710 119.592 120.300 0.004 0.000 2.523 721 Y HA 0.508 5.058 4.550 0.000 0.000 0.279 721 Y C 0.871 176.769 175.900 -0.003 0.000 1.139 721 Y CA -0.900 57.202 58.100 0.003 0.000 1.296 721 Y CB -0.113 38.346 38.460 -0.002 0.000 1.045 721 Y HN -0.107 nan 8.280 nan 0.000 0.538 722 L N 2.957 123.955 121.223 -0.375 0.000 2.349 722 L HA 0.313 4.653 4.340 0.000 0.000 0.275 722 L C 0.305 177.114 176.870 -0.103 0.000 1.115 722 L CA -0.369 54.311 54.840 -0.267 0.000 0.820 722 L CB 0.889 42.715 42.059 -0.389 0.000 1.135 722 L HN 0.169 nan 8.230 nan 0.000 0.445 723 R N 2.057 122.524 120.500 -0.055 0.000 2.543 723 R HA 0.066 4.405 4.340 0.000 0.000 0.277 723 R C 0.879 177.169 176.300 -0.017 0.000 1.074 723 R CA -0.756 55.336 56.100 -0.013 0.000 1.076 723 R CB 0.655 30.956 30.300 0.001 0.000 0.993 723 R HN 0.458 nan 8.270 nan 0.000 0.459 724 L N 1.979 123.218 121.223 0.027 0.000 2.051 724 L HA -0.158 4.182 4.340 0.000 0.000 0.214 724 L C 1.807 178.673 176.870 -0.007 0.000 1.076 724 L CA 2.224 57.088 54.840 0.040 0.000 0.758 724 L CB -0.412 41.718 42.059 0.119 0.000 0.890 724 L HN 0.931 nan 8.230 nan 0.000 0.433 725 G N -2.033 106.754 108.800 -0.022 0.000 3.805 725 G HA2 0.112 4.072 3.960 0.000 0.000 0.290 725 G HA3 0.112 4.072 3.960 0.000 0.000 0.290 725 G C 0.303 175.152 174.900 -0.084 0.000 1.077 725 G CA -0.355 44.698 45.100 -0.079 0.000 0.852 725 G HN 0.269 nan 8.290 nan 0.000 0.531 726 Q N 1.980 121.731 119.800 -0.080 0.000 2.244 726 Q HA 0.178 4.518 4.340 0.000 0.000 0.278 726 Q C -1.968 173.926 176.000 -0.177 0.000 1.093 726 Q CA -1.569 54.167 55.803 -0.112 0.000 0.916 726 Q CB 0.731 29.401 28.738 -0.114 0.000 1.159 726 Q HN 0.069 nan 8.270 nan 0.000 0.384 727 P HA -0.171 nan 4.420 nan 0.000 0.264 727 P C -0.394 176.737 177.300 -0.282 0.000 1.173 727 P CA 0.579 63.468 63.100 -0.352 0.000 0.761 727 P CB 0.600 31.907 31.700 -0.656 0.000 0.794 728 A N 3.209 125.888 122.820 -0.235 0.000 2.076 728 A HA -0.147 4.173 4.320 0.000 0.000 0.220 728 A C 1.666 179.136 177.584 -0.190 0.000 1.160 728 A CA 2.077 54.002 52.037 -0.187 0.000 0.653 728 A CB -1.404 17.511 19.000 -0.142 0.000 0.801 728 A HN 0.640 nan 8.150 nan 0.000 0.455 729 T N -2.910 111.501 114.554 -0.239 0.000 3.129 729 T HA 0.168 4.518 4.350 0.000 0.000 0.251 729 T C 0.999 175.582 174.700 -0.196 0.000 1.117 729 T CA 0.773 62.753 62.100 -0.199 0.000 1.034 729 T CB 0.108 68.838 68.868 -0.229 0.000 0.968 729 T HN 0.607 nan 8.240 nan 0.000 0.526 730 E N 0.448 120.512 120.200 -0.226 0.000 2.489 730 E HA 0.275 4.625 4.350 0.000 0.000 0.204 730 E C 0.082 176.590 176.600 -0.155 0.000 1.006 730 E CA -0.145 56.133 56.400 -0.203 0.000 0.936 730 E CB 0.375 29.925 29.700 -0.250 0.000 1.002 730 E HN 0.529 nan 8.360 nan 0.000 0.488 731 L N 1.268 122.404 121.223 -0.145 0.000 2.375 731 L HA 0.128 4.468 4.340 0.000 0.000 0.271 731 L C 1.737 178.549 176.870 -0.096 0.000 1.107 731 L CA -0.248 54.522 54.840 -0.118 0.000 0.806 731 L CB 1.333 43.309 42.059 -0.138 0.000 1.146 731 L HN 0.042 nan 8.230 nan 0.000 0.447 732 S N 0.665 116.323 115.700 -0.069 0.000 2.395 732 S HA 0.087 4.557 4.470 0.000 0.000 0.225 732 S C 1.236 175.801 174.600 -0.059 0.000 1.027 732 S CA 0.659 58.823 58.200 -0.060 0.000 0.965 732 S CB 0.253 63.438 63.200 -0.025 0.000 0.812 732 S HN 1.085 nan 8.310 nan 0.000 0.482 733 G N 0.455 109.220 108.800 -0.059 0.000 2.659 733 G HA2 -0.161 3.799 3.960 0.000 0.000 0.202 733 G HA3 -0.161 3.799 3.960 0.000 0.000 0.202 733 G C 1.227 176.104 174.900 -0.038 0.000 1.186 733 G CA 0.081 45.150 45.100 -0.051 0.000 0.783 733 G HN 1.020 nan 8.290 nan 0.000 0.521 734 G N 0.652 109.439 108.800 -0.021 0.000 2.440 734 G HA2 -0.029 3.931 3.960 0.000 0.000 0.218 734 G HA3 -0.029 3.931 3.960 0.000 0.000 0.218 734 G C 1.361 176.249 174.900 -0.020 0.000 1.154 734 G CA 1.871 46.964 45.100 -0.011 0.000 0.767 734 G HN 0.619 nan 8.290 nan 0.000 0.552 735 E N 0.390 120.578 120.200 -0.021 0.000 2.047 735 E HA 0.011 4.361 4.350 0.000 0.000 0.191 735 E C 2.964 179.505 176.600 -0.098 0.000 0.987 735 E CA 0.777 57.150 56.400 -0.046 0.000 0.799 735 E CB -0.216 29.458 29.700 -0.043 0.000 0.752 735 E HN 0.388 nan 8.360 nan 0.000 0.449 736 A N 1.178 123.930 122.820 -0.112 0.000 1.940 736 A HA -0.306 4.014 4.320 0.000 0.000 0.219 736 A C 2.122 179.623 177.584 -0.138 0.000 1.176 736 A CA 1.777 53.718 52.037 -0.160 0.000 0.631 736 A CB -0.561 18.348 19.000 -0.151 0.000 0.814 736 A HN 0.248 nan 8.150 nan 0.000 0.446 737 Q N -0.514 119.236 119.800 -0.083 0.000 2.050 737 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 737 Q C 2.273 178.240 176.000 -0.055 0.000 0.980 737 Q CA 1.648 57.418 55.803 -0.055 0.000 0.840 737 Q CB -0.099 28.621 28.738 -0.031 0.000 0.898 737 Q HN 0.694 nan 8.270 nan 0.000 0.424 738 R N -0.153 120.312 120.500 -0.059 0.000 2.115 738 R HA -0.058 4.282 4.340 0.000 0.000 0.230 738 R C 2.250 178.511 176.300 -0.065 0.000 1.111 738 R CA 1.150 57.217 56.100 -0.055 0.000 0.976 738 R CB -0.205 30.068 30.300 -0.045 0.000 0.870 738 R HN 0.351 nan 8.270 nan 0.000 0.445 739 I N 0.673 121.185 120.570 -0.098 0.000 2.361 739 I HA -0.244 3.926 4.170 0.000 0.000 0.251 739 I C 2.075 178.172 176.117 -0.033 0.000 1.133 739 I CA 1.220 62.459 61.300 -0.102 0.000 1.413 739 I CB -0.065 37.809 38.000 -0.210 0.000 1.073 739 I HN 0.012 nan 8.210 nan 0.000 0.424 740 K N 0.726 121.103 120.400 -0.038 0.000 2.007 740 K HA -0.112 4.208 4.320 0.000 0.000 0.206 740 K C 1.957 178.590 176.600 0.054 0.000 1.047 740 K CA 1.028 57.358 56.287 0.072 0.000 0.937 740 K CB -0.446 32.080 32.500 0.045 0.000 0.718 740 K HN 0.088 nan 8.250 nan 0.000 0.438 741 L N 0.669 121.889 121.223 -0.004 0.000 2.043 741 L HA -0.176 4.164 4.340 0.000 0.000 0.212 741 L C 1.957 178.800 176.870 -0.044 0.000 1.075 741 L CA 2.258 57.071 54.840 -0.045 0.000 0.752 741 L CB -0.750 41.270 42.059 -0.066 0.000 0.891 741 L HN 0.178 nan 8.230 nan 0.000 0.432 742 A N -1.608 121.198 122.820 -0.024 0.000 2.015 742 A HA -0.139 4.181 4.320 0.000 0.000 0.219 742 A C 2.199 179.785 177.584 0.003 0.000 1.163 742 A CA 1.942 53.967 52.037 -0.020 0.000 0.646 742 A CB -1.070 17.917 19.000 -0.021 0.000 0.806 742 A HN 0.567 nan 8.150 nan 0.000 0.448 743 T N -0.240 114.340 114.554 0.044 0.000 2.904 743 T HA -0.056 4.294 4.350 0.000 0.000 0.267 743 T C 1.706 176.424 174.700 0.029 0.000 1.059 743 T CA 1.335 63.468 62.100 0.055 0.000 1.137 743 T CB -0.096 68.841 68.868 0.115 0.000 0.879 743 T HN 0.400 nan 8.240 nan 0.000 0.467 744 E N 1.273 121.486 120.200 0.022 0.000 2.112 744 E HA 0.137 4.487 4.350 0.000 0.000 0.190 744 E C 2.250 178.840 176.600 -0.018 0.000 0.979 744 E CA 0.306 56.720 56.400 0.024 0.000 0.814 744 E CB -0.580 29.129 29.700 0.015 0.000 0.762 744 E HN 0.418 nan 8.360 nan 0.000 0.460 745 L N 0.295 121.482 121.223 -0.060 0.000 2.197 745 L HA -0.227 4.113 4.340 0.000 0.000 0.215 745 L C 2.321 179.172 176.870 -0.032 0.000 1.095 745 L CA 1.358 56.157 54.840 -0.068 0.000 0.764 745 L CB -0.148 41.871 42.059 -0.066 0.000 0.897 745 L HN 0.062 nan 8.230 nan 0.000 0.436 746 R N -1.472 119.018 120.500 -0.017 0.000 2.279 746 R HA 0.017 4.357 4.340 0.000 0.000 0.195 746 R C 2.097 178.399 176.300 0.003 0.000 0.905 746 R CA -0.071 56.023 56.100 -0.010 0.000 1.044 746 R CB 0.218 30.506 30.300 -0.019 0.000 1.056 746 R HN 0.057 nan 8.270 nan 0.000 0.535 747 R N 1.164 121.672 120.500 0.014 0.000 2.236 747 R HA -0.008 4.332 4.340 0.000 0.000 0.208 747 R C 1.891 178.220 176.300 0.048 0.000 1.036 747 R CA 1.442 57.556 56.100 0.022 0.000 1.001 747 R CB -0.110 30.203 30.300 0.021 0.000 0.896 747 R HN 0.118 nan 8.270 nan 0.000 0.464 748 S N -0.944 114.800 115.700 0.074 0.000 2.423 748 S HA 0.002 4.472 4.470 0.000 0.000 0.231 748 S C 1.963 176.598 174.600 0.060 0.000 1.014 748 S CA 0.632 58.904 58.200 0.119 0.000 0.965 748 S CB -0.861 62.405 63.200 0.110 0.000 0.785 748 S HN 0.469 nan 8.310 nan 0.000 0.495 749 G N 3.485 112.303 108.800 0.029 0.000 3.824 749 G HA2 -0.324 3.636 3.960 0.000 0.000 0.280 749 G HA3 -0.324 3.636 3.960 0.000 0.000 0.280 749 G C 0.391 175.301 174.900 0.017 0.000 0.963 749 G CA 1.383 46.492 45.100 0.015 0.000 0.865 749 G HN 0.617 nan 8.290 nan 0.000 1.379 750 R N 0.378 120.885 120.500 0.011 0.000 2.686 750 R HA 0.667 5.007 4.340 0.000 0.000 0.283 750 R C 0.200 176.499 176.300 -0.001 0.000 0.978 750 R CA 0.238 56.342 56.100 0.007 0.000 0.897 750 R CB 1.151 31.451 30.300 0.001 0.000 1.192 750 R HN 1.649 nan 8.270 nan 0.000 0.457 751 G N -0.388 108.408 108.800 -0.006 0.000 2.359 751 G HA2 0.247 4.207 3.960 0.000 0.000 0.303 751 G HA3 0.247 4.207 3.960 0.000 0.000 0.303 751 G C -1.169 173.712 174.900 -0.032 0.000 1.293 751 G CA -0.422 44.663 45.100 -0.025 0.000 0.964 751 G HN 0.686 nan 8.290 nan 0.000 0.531 752 G N -0.072 108.690 108.800 -0.064 0.000 3.678 752 G HA2 0.657 4.617 3.960 0.000 0.000 0.344 752 G HA3 0.657 4.617 3.960 0.000 0.000 0.344 752 G C 0.010 174.826 174.900 -0.139 0.000 1.450 752 G CA 0.884 45.939 45.100 -0.074 0.000 1.078 752 G HN 1.391 nan 8.290 nan 0.000 0.474 753 T N -0.302 114.138 114.554 -0.190 0.000 2.829 753 T HA 0.550 4.900 4.350 0.000 0.000 0.280 753 T C -0.305 174.138 174.700 -0.428 0.000 0.999 753 T CA -0.691 61.190 62.100 -0.364 0.000 0.983 753 T CB 1.871 70.435 68.868 -0.507 0.000 0.968 753 T HN 0.556 nan 8.240 nan 0.000 0.446 754 V N 6.780 126.476 119.914 -0.363 0.000 2.383 754 V HA 0.540 4.660 4.120 0.000 0.000 0.275 754 V C -1.538 174.335 176.094 -0.368 0.000 1.036 754 V CA -0.639 61.504 62.300 -0.263 0.000 0.889 754 V CB -0.108 31.648 31.823 -0.112 0.000 0.985 754 V HN 0.912 nan 8.190 nan 0.000 0.459 755 Y N 5.530 125.811 120.300 -0.031 0.000 2.335 755 Y HA 0.547 5.097 4.550 -0.000 0.000 0.339 755 Y C 0.302 176.180 175.900 -0.037 0.000 0.987 755 Y CA -0.568 57.516 58.100 -0.027 0.000 1.140 755 Y CB 1.861 40.309 38.460 -0.021 0.000 1.173 755 Y HN 0.623 nan 8.280 nan 0.000 0.486 756 V N 5.046 125.016 119.914 0.093 0.000 2.398 756 V HA 0.713 4.833 4.120 0.000 0.000 0.286 756 V C -1.453 174.675 176.094 0.058 0.000 1.026 756 V CA -0.658 61.664 62.300 0.038 0.000 0.868 756 V CB 1.050 32.858 31.823 -0.024 0.000 0.982 756 V HN 0.552 nan 8.190 nan 0.000 0.443 757 L N 5.267 126.516 121.223 0.043 0.000 2.410 757 L HA 0.598 4.938 4.340 0.000 0.000 0.270 757 L C -0.300 176.585 176.870 0.025 0.000 0.983 757 L CA -0.159 54.703 54.840 0.036 0.000 0.822 757 L CB 1.657 43.732 42.059 0.027 0.000 1.285 757 L HN 0.775 nan 8.230 nan 0.000 0.409 758 D N 4.240 124.658 120.400 0.031 0.000 2.428 758 D HA 0.129 4.769 4.640 0.000 0.000 0.221 758 D C -0.315 176.015 176.300 0.050 0.000 1.123 758 D CA -0.015 54.009 54.000 0.039 0.000 0.869 758 D CB 0.724 41.557 40.800 0.055 0.000 1.032 758 D HN 0.443 nan 8.370 nan 0.000 0.506 759 E N 3.066 123.288 120.200 0.037 0.000 2.560 759 E HA -0.162 4.188 4.350 0.000 0.000 0.158 759 E C -1.959 174.662 176.600 0.035 0.000 1.709 759 E CA -0.068 56.368 56.400 0.060 0.000 0.653 759 E CB -0.478 29.324 29.700 0.169 0.000 1.090 759 E HN 0.484 nan 8.360 nan 0.000 0.355 760 P HA -0.101 nan 4.420 nan 0.000 0.225 760 P C 0.767 178.059 177.300 -0.012 0.000 1.148 760 P CA 1.497 64.594 63.100 -0.006 0.000 0.779 760 P CB 0.139 31.828 31.700 -0.018 0.000 0.780 761 T N -4.682 109.868 114.554 -0.007 0.000 3.315 761 T HA 0.289 4.639 4.350 0.000 0.000 0.275 761 T C 0.859 175.551 174.700 -0.013 0.000 1.598 761 T CA -0.385 61.700 62.100 -0.025 0.000 1.368 761 T CB -0.586 68.259 68.868 -0.039 0.000 1.079 761 T HN -0.147 nan 8.240 nan 0.000 0.703 762 T N 1.754 116.305 114.554 -0.004 0.000 2.643 762 T HA 0.162 4.512 4.350 0.000 0.000 0.256 762 T C 1.688 176.397 174.700 0.015 0.000 1.061 762 T CA 1.226 63.333 62.100 0.012 0.000 1.163 762 T CB -0.545 68.331 68.868 0.013 0.000 0.865 762 T HN 0.662 nan 8.240 nan 0.000 0.407 763 G N 1.211 110.015 108.800 0.006 0.000 4.125 763 G HA2 0.486 4.446 3.960 0.000 0.000 0.301 763 G HA3 0.486 4.446 3.960 0.000 0.000 0.301 763 G C -0.616 174.212 174.900 -0.120 0.000 1.273 763 G CA -0.233 44.895 45.100 0.046 0.000 1.095 763 G HN 0.179 nan 8.290 nan 0.000 0.582 764 L N 0.907 121.967 121.223 -0.272 0.000 2.322 764 L HA 0.407 4.747 4.340 0.000 0.000 0.281 764 L C 0.344 176.838 176.870 -0.628 0.000 1.014 764 L CA -1.276 53.355 54.840 -0.349 0.000 0.815 764 L CB 1.447 43.408 42.059 -0.163 0.000 1.247 764 L HN 0.288 nan 8.230 nan 0.000 0.421 765 H N 4.776 123.457 119.070 -0.649 0.000 2.690 765 H HA 0.131 4.687 4.556 0.000 0.000 0.365 765 H C -1.783 173.356 175.328 -0.316 0.000 1.142 765 H CA -1.264 54.524 56.048 -0.433 0.000 1.417 765 H CB 1.684 31.332 29.762 -0.190 0.000 1.446 765 H HN 0.395 nan 8.280 nan 0.000 0.599 766 P HA -0.165 nan 4.420 nan 0.000 0.218 766 P C 0.686 177.753 177.300 -0.388 0.000 1.146 766 P CA 2.172 64.853 63.100 -0.698 0.000 0.820 766 P CB 0.074 30.940 31.700 -1.390 0.000 0.778 767 A N -1.169 121.654 122.820 0.004 0.000 2.072 767 A HA -0.084 4.236 4.320 0.000 0.000 0.216 767 A C 1.869 179.520 177.584 0.113 0.000 1.156 767 A CA 1.114 53.294 52.037 0.239 0.000 0.701 767 A CB -0.650 18.578 19.000 0.380 0.000 0.816 767 A HN 0.072 nan 8.150 nan 0.000 0.458 768 D N -0.131 120.301 120.400 0.054 0.000 2.213 768 D HA -0.083 4.557 4.640 0.000 0.000 0.205 768 D C 2.173 178.464 176.300 -0.016 0.000 0.961 768 D CA 1.618 55.622 54.000 0.008 0.000 0.853 768 D CB -0.074 40.710 40.800 -0.027 0.000 0.967 768 D HN 0.414 nan 8.370 nan 0.000 0.496 769 V N -0.017 119.870 119.914 -0.045 0.000 2.667 769 V HA -0.069 4.051 4.120 0.000 0.000 0.252 769 V C 2.011 178.094 176.094 -0.019 0.000 1.065 769 V CA 1.400 63.672 62.300 -0.047 0.000 1.083 769 V CB -0.124 31.654 31.823 -0.076 0.000 0.692 769 V HN -0.046 nan 8.190 nan 0.000 0.468 770 E N 1.961 122.167 120.200 0.011 0.000 2.153 770 E HA -0.222 4.128 4.350 0.000 0.000 0.194 770 E C 2.330 178.941 176.600 0.018 0.000 0.988 770 E CA 1.731 58.150 56.400 0.032 0.000 0.811 770 E CB -0.077 29.673 29.700 0.083 0.000 0.746 770 E HN 0.870 nan 8.360 nan 0.000 0.466 771 R N -0.085 120.424 120.500 0.016 0.000 2.300 771 R HA 0.087 4.427 4.340 0.000 0.000 0.199 771 R C 2.199 178.495 176.300 -0.007 0.000 0.920 771 R CA -0.025 56.079 56.100 0.008 0.000 1.046 771 R CB -0.141 30.167 30.300 0.014 0.000 0.984 771 R HN 0.126 nan 8.270 nan 0.000 0.493 772 L N 0.928 122.142 121.223 -0.015 0.000 2.202 772 L HA 0.020 4.360 4.340 0.000 0.000 0.205 772 L C 1.866 178.715 176.870 -0.035 0.000 1.083 772 L CA 1.224 56.047 54.840 -0.027 0.000 0.790 772 L CB -0.222 41.818 42.059 -0.032 0.000 0.942 772 L HN 0.163 nan 8.230 nan 0.000 0.452 773 Q N 0.367 120.148 119.800 -0.032 0.000 2.096 773 Q HA -0.258 4.082 4.340 0.000 0.000 0.208 773 Q C 2.162 178.141 176.000 -0.035 0.000 0.993 773 Q CA 1.705 57.483 55.803 -0.041 0.000 0.862 773 Q CB -0.394 28.318 28.738 -0.043 0.000 0.915 773 Q HN 0.499 nan 8.270 nan 0.000 0.416 774 R N 0.145 120.632 120.500 -0.022 0.000 2.103 774 R HA -0.165 4.175 4.340 0.000 0.000 0.242 774 R C 2.173 178.459 176.300 -0.024 0.000 1.142 774 R CA 1.259 57.350 56.100 -0.014 0.000 0.960 774 R CB -0.073 30.224 30.300 -0.006 0.000 0.858 774 R HN 0.339 nan 8.270 nan 0.000 0.439 775 Q N 0.357 120.135 119.800 -0.036 0.000 2.172 775 Q HA -0.034 4.306 4.340 0.000 0.000 0.200 775 Q C 2.247 178.203 176.000 -0.073 0.000 0.964 775 Q CA 0.998 56.769 55.803 -0.054 0.000 0.855 775 Q CB -0.083 28.620 28.738 -0.059 0.000 0.918 775 Q HN 0.416 nan 8.270 nan 0.000 0.444 776 L N -0.376 120.807 121.223 -0.067 0.000 2.109 776 L HA -0.091 4.249 4.340 0.000 0.000 0.207 776 L C 2.357 179.198 176.870 -0.048 0.000 1.086 776 L CA 0.581 55.377 54.840 -0.074 0.000 0.760 776 L CB -0.570 41.454 42.059 -0.059 0.000 0.910 776 L HN -0.007 nan 8.230 nan 0.000 0.437 777 V N 0.231 120.128 119.914 -0.029 0.000 2.343 777 V HA -0.307 3.813 4.120 0.000 0.000 0.247 777 V C 2.573 178.665 176.094 -0.005 0.000 1.051 777 V CA 1.800 64.099 62.300 -0.002 0.000 1.036 777 V CB -0.523 31.308 31.823 0.013 0.000 0.654 777 V HN 0.383 nan 8.190 nan 0.000 0.451 778 K N 0.273 120.662 120.400 -0.020 0.000 2.059 778 K HA -0.207 4.113 4.320 0.000 0.000 0.212 778 K C 1.931 178.516 176.600 -0.026 0.000 1.050 778 K CA 2.113 58.386 56.287 -0.022 0.000 0.927 778 K CB -0.290 32.189 32.500 -0.035 0.000 0.714 778 K HN 0.631 nan 8.250 nan 0.000 0.447 779 L N -2.277 118.914 121.223 -0.053 0.000 2.492 779 L HA 0.058 4.398 4.340 0.000 0.000 0.223 779 L C 1.767 178.656 176.870 0.031 0.000 1.132 779 L CA 0.333 55.150 54.840 -0.038 0.000 0.850 779 L CB -0.284 41.677 42.059 -0.163 0.000 0.966 779 L HN -0.101 nan 8.230 nan 0.000 0.454 780 V N 0.933 120.860 119.914 0.022 0.000 2.453 780 V HA -0.172 3.948 4.120 0.000 0.000 0.247 780 V C 2.132 178.242 176.094 0.027 0.000 1.048 780 V CA 1.773 64.094 62.300 0.036 0.000 1.049 780 V CB -0.429 31.414 31.823 0.034 0.000 0.672 780 V HN 0.389 nan 8.190 nan 0.000 0.457 781 D N 0.623 121.036 120.400 0.021 0.000 2.263 781 D HA -0.074 4.566 4.640 0.000 0.000 0.208 781 D C 1.891 178.201 176.300 0.016 0.000 0.971 781 D CA 1.383 55.393 54.000 0.017 0.000 0.867 781 D CB -0.039 40.769 40.800 0.014 0.000 0.929 781 D HN 0.461 nan 8.370 nan 0.000 0.492 782 A N -0.449 122.384 122.820 0.022 0.000 2.278 782 A HA 0.432 4.752 4.320 0.000 0.000 0.212 782 A C 1.484 179.085 177.584 0.027 0.000 1.213 782 A CA 0.764 52.816 52.037 0.025 0.000 0.840 782 A CB -0.186 18.833 19.000 0.032 0.000 0.866 782 A HN 0.189 nan 8.150 nan 0.000 0.489 783 G N -0.315 108.500 108.800 0.024 0.000 2.204 783 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 783 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 783 G C -0.189 174.724 174.900 0.020 0.000 1.062 783 G CA 0.254 45.362 45.100 0.013 0.000 0.798 783 G HN 0.668 nan 8.290 nan 0.000 0.496 784 N N -0.865 117.867 118.700 0.053 0.000 2.671 784 N HA 0.786 5.526 4.740 0.000 0.000 0.303 784 N C -0.453 175.096 175.510 0.064 0.000 1.277 784 N CA -0.489 52.610 53.050 0.081 0.000 0.933 784 N CB 1.151 39.789 38.487 0.252 0.000 1.190 784 N HN 0.076 nan 8.380 nan 0.000 0.600 785 T N 0.580 115.177 114.554 0.072 0.000 2.879 785 T HA 0.424 4.774 4.350 0.000 0.000 0.290 785 T C -1.110 173.661 174.700 0.119 0.000 0.993 785 T CA -0.676 61.452 62.100 0.047 0.000 0.975 785 T CB 1.088 69.945 68.868 -0.020 0.000 0.981 785 T HN 0.339 nan 8.240 nan 0.000 0.439 786 V N 2.621 122.603 119.914 0.113 0.000 2.448 786 V HA 0.793 4.913 4.120 0.000 0.000 0.295 786 V C -0.953 175.187 176.094 0.077 0.000 1.025 786 V CA -0.861 61.515 62.300 0.127 0.000 0.859 786 V CB 0.969 32.853 31.823 0.102 0.000 0.988 786 V HN 0.869 nan 8.190 nan 0.000 0.431 787 I N 5.813 126.416 120.570 0.055 0.000 2.382 787 I HA 0.805 4.975 4.170 0.000 0.000 0.286 787 I C 0.257 176.396 176.117 0.038 0.000 1.002 787 I CA -0.585 60.739 61.300 0.040 0.000 1.135 787 I CB 1.729 39.683 38.000 -0.078 0.000 1.288 787 I HN 0.900 nan 8.210 nan 0.000 0.448 788 A N 5.866 128.717 122.820 0.052 0.000 2.330 788 A HA 0.635 4.955 4.320 0.000 0.000 0.313 788 A C -0.628 176.963 177.584 0.012 0.000 1.124 788 A CA -0.649 51.403 52.037 0.025 0.000 0.774 788 A CB 1.700 20.707 19.000 0.012 0.000 1.198 788 A HN 0.582 nan 8.150 nan 0.000 0.465 789 V N 1.837 121.742 119.914 -0.014 0.000 2.455 789 V HA 0.605 4.725 4.120 0.000 0.000 0.273 789 V C -0.292 175.673 176.094 -0.215 0.000 1.045 789 V CA 0.270 62.523 62.300 -0.079 0.000 0.976 789 V CB 0.783 32.575 31.823 -0.051 0.000 0.993 789 V HN 0.928 nan 8.190 nan 0.000 0.475 790 E N 4.249 124.273 120.200 -0.293 0.000 2.266 790 E HA 0.520 4.870 4.350 0.000 0.000 0.268 790 E C 0.056 176.395 176.600 -0.434 0.000 0.879 790 E CA -0.478 55.739 56.400 -0.304 0.000 0.762 790 E CB 1.609 31.242 29.700 -0.111 0.000 1.199 790 E HN 0.806 nan 8.360 nan 0.000 0.422 791 H N 2.306 121.373 119.070 -0.005 0.000 3.058 791 H HA 0.287 4.843 4.556 -0.000 0.000 0.258 791 H C -0.315 174.962 175.328 -0.084 0.000 1.015 791 H CA -0.041 55.991 56.048 -0.026 0.000 1.210 791 H CB 0.854 30.606 29.762 -0.017 0.000 1.481 791 H HN 0.151 nan 8.280 nan 0.000 0.492 792 K N 1.864 122.279 120.400 0.024 0.000 2.240 792 K HA 0.224 4.544 4.320 0.000 0.000 0.271 792 K C 0.633 177.206 176.600 -0.044 0.000 1.018 792 K CA -0.535 55.733 56.287 -0.032 0.000 0.874 792 K CB 1.726 34.206 32.500 -0.033 0.000 1.098 792 K HN -0.119 nan 8.250 nan 0.000 0.458 793 M N 1.747 121.314 119.600 -0.055 0.000 2.700 793 M HA -0.113 4.367 4.480 0.000 0.000 0.249 793 M C 1.832 178.124 176.300 -0.013 0.000 1.082 793 M CA 1.267 56.551 55.300 -0.026 0.000 1.077 793 M CB -0.958 31.637 32.600 -0.008 0.000 1.477 793 M HN 0.687 nan 8.290 nan 0.000 0.529 794 Q N 0.467 120.253 119.800 -0.024 0.000 2.119 794 Q HA -0.115 4.225 4.340 0.000 0.000 0.201 794 Q C 2.024 178.014 176.000 -0.017 0.000 0.972 794 Q CA 1.628 57.423 55.803 -0.014 0.000 0.847 794 Q CB 0.237 28.953 28.738 -0.038 0.000 0.903 794 Q HN 0.427 nan 8.270 nan 0.000 0.433 795 V N -1.228 118.669 119.914 -0.030 0.000 2.725 795 V HA -0.047 4.073 4.120 0.000 0.000 0.247 795 V C 1.927 178.000 176.094 -0.034 0.000 1.058 795 V CA 1.024 63.301 62.300 -0.037 0.000 1.080 795 V CB 0.154 31.953 31.823 -0.039 0.000 0.713 795 V HN 0.244 nan 8.190 nan 0.000 0.465 796 V N 1.694 121.595 119.914 -0.021 0.000 2.392 796 V HA -0.192 3.928 4.120 0.000 0.000 0.249 796 V C 3.082 179.177 176.094 0.001 0.000 1.059 796 V CA 2.190 64.485 62.300 -0.008 0.000 1.051 796 V CB -1.622 30.199 31.823 -0.003 0.000 0.658 796 V HN 0.667 nan 8.190 nan 0.000 0.455 797 A N -0.019 122.803 122.820 0.004 0.000 2.015 797 A HA 0.077 4.397 4.320 0.000 0.000 0.219 797 A C 2.145 179.738 177.584 0.014 0.000 1.163 797 A CA 1.559 53.610 52.037 0.024 0.000 0.646 797 A CB -0.459 18.561 19.000 0.033 0.000 0.806 797 A HN 0.616 nan 8.150 nan 0.000 0.448 798 A N -0.485 122.296 122.820 -0.065 0.000 2.302 798 A HA 0.479 4.799 4.320 0.000 0.000 0.219 798 A C 0.885 178.246 177.584 -0.373 0.000 1.243 798 A CA 0.181 52.060 52.037 -0.262 0.000 0.856 798 A CB -0.258 18.604 19.000 -0.230 0.000 0.893 798 A HN 0.304 nan 8.150 nan 0.000 0.491 799 S N 0.003 115.648 115.700 -0.091 0.000 2.687 799 S HA 0.297 4.767 4.470 0.000 0.000 0.283 799 S C 0.137 174.844 174.600 0.179 0.000 1.170 799 S CA -0.557 57.652 58.200 0.015 0.000 1.008 799 S CB 0.932 64.167 63.200 0.058 0.000 1.026 799 S HN 0.445 nan 8.310 nan 0.000 0.541 800 D N -0.343 120.197 120.400 0.233 0.000 2.367 800 D HA 0.094 4.734 4.640 0.000 0.000 0.207 800 D C -0.160 176.380 176.300 0.400 0.000 1.034 800 D CA 0.490 54.670 54.000 0.300 0.000 0.861 800 D CB 0.494 41.436 40.800 0.236 0.000 0.943 800 D HN 0.451 nan 8.370 nan 0.000 0.515 801 W N 0.740 122.085 121.300 0.075 0.000 3.419 801 W HA 0.328 4.988 4.660 0.000 0.000 0.298 801 W C -2.172 174.392 176.519 0.074 0.000 1.260 801 W CA -0.542 56.850 57.345 0.079 0.000 1.199 801 W CB 1.632 31.138 29.460 0.076 0.000 1.349 801 W HN -0.517 nan 8.180 nan 0.000 0.557 802 V N 5.145 124.918 119.914 -0.235 0.000 2.709 802 V HA 0.450 4.570 4.120 0.000 0.000 0.308 802 V C -0.856 175.123 176.094 -0.192 0.000 1.062 802 V CA -0.853 61.369 62.300 -0.131 0.000 0.901 802 V CB 1.913 33.661 31.823 -0.125 0.000 1.003 802 V HN 0.276 nan 8.190 nan 0.000 0.425 803 L N 3.534 124.750 121.223 -0.012 0.000 2.294 803 L HA 0.562 4.902 4.340 0.000 0.000 0.283 803 L C -0.453 176.410 176.870 -0.012 0.000 1.015 803 L CA -0.012 54.822 54.840 -0.011 0.000 0.831 803 L CB 1.245 43.324 42.059 0.034 0.000 1.217 803 L HN 0.649 nan 8.230 nan 0.000 0.420 804 D N 4.126 124.504 120.400 -0.037 0.000 2.317 804 D HA 0.416 5.056 4.640 0.000 0.000 0.234 804 D C -0.519 175.768 176.300 -0.021 0.000 1.112 804 D CA -0.045 53.942 54.000 -0.022 0.000 0.840 804 D CB 0.708 41.492 40.800 -0.027 0.000 1.078 804 D HN 0.295 nan 8.370 nan 0.000 0.486 805 I N 2.585 123.146 120.570 -0.016 0.000 2.392 805 I HA 0.508 4.678 4.170 0.000 0.000 0.295 805 I C 0.883 176.978 176.117 -0.038 0.000 0.985 805 I CA -0.513 60.775 61.300 -0.020 0.000 1.221 805 I CB 1.711 39.709 38.000 -0.004 0.000 1.366 805 I HN 0.573 nan 8.210 nan 0.000 0.467 806 G N 6.441 115.221 108.800 -0.034 0.000 2.978 806 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 806 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 806 G C -2.407 172.464 174.900 -0.049 0.000 1.288 806 G CA -0.998 44.078 45.100 -0.040 0.000 1.026 806 G HN 0.491 nan 8.290 nan 0.000 0.587 807 P HA 0.022 nan 4.420 nan 0.000 0.213 807 P C 1.651 178.918 177.300 -0.055 0.000 1.170 807 P CA 2.466 65.543 63.100 -0.039 0.000 0.898 807 P CB 0.071 31.756 31.700 -0.024 0.000 0.787 808 G N -2.084 106.687 108.800 -0.049 0.000 3.212 808 G HA2 0.637 4.597 3.960 0.000 0.000 0.188 808 G HA3 0.637 4.597 3.960 0.000 0.000 0.188 808 G C -1.179 173.676 174.900 -0.076 0.000 1.254 808 G CA -0.068 44.996 45.100 -0.060 0.000 0.957 808 G HN 0.251 nan 8.290 nan 0.000 0.596 809 A N -1.441 121.338 122.820 -0.069 0.000 2.302 809 A HA 0.680 5.000 4.320 0.000 0.000 0.285 809 A C 1.358 178.917 177.584 -0.042 0.000 1.105 809 A CA 1.018 52.984 52.037 -0.119 0.000 0.816 809 A CB -0.013 18.919 19.000 -0.114 0.000 1.067 809 A HN 2.528 nan 8.150 nan 0.000 0.489 810 G N 1.011 109.774 108.800 -0.063 0.000 2.660 810 G HA2 -0.358 3.602 3.960 0.000 0.000 0.321 810 G HA3 -0.358 3.602 3.960 0.000 0.000 0.321 810 G C 0.812 175.728 174.900 0.028 0.000 1.246 810 G CA 0.911 46.031 45.100 0.035 0.000 1.000 810 G HN 0.840 nan 8.290 nan 0.000 0.550 811 E N 1.216 121.444 120.200 0.046 0.000 2.347 811 E HA -0.016 4.334 4.350 0.000 0.000 0.196 811 E C 1.219 177.831 176.600 0.020 0.000 1.008 811 E CA 0.824 57.243 56.400 0.033 0.000 0.852 811 E CB -0.047 29.676 29.700 0.038 0.000 0.783 811 E HN 0.538 nan 8.360 nan 0.000 0.505 812 D N 0.454 120.866 120.400 0.019 0.000 2.319 812 D HA 0.053 4.693 4.640 0.000 0.000 0.230 812 D C 0.727 177.021 176.300 -0.010 0.000 1.094 812 D CA 0.229 54.233 54.000 0.007 0.000 0.856 812 D CB 0.608 41.415 40.800 0.012 0.000 0.915 812 D HN 0.101 nan 8.370 nan 0.000 0.517 813 G N -1.014 107.777 108.800 -0.014 0.000 3.257 813 G HA2 0.451 4.411 3.960 0.000 0.000 0.205 813 G HA3 0.451 4.411 3.960 0.000 0.000 0.205 813 G C 0.657 175.546 174.900 -0.018 0.000 1.234 813 G CA 0.012 45.095 45.100 -0.028 0.000 0.918 813 G HN 0.066 nan 8.290 nan 0.000 0.602 814 G N -1.152 107.635 108.800 -0.022 0.000 2.148 814 G HA2 -0.212 3.748 3.960 0.000 0.000 0.254 814 G HA3 -0.212 3.748 3.960 0.000 0.000 0.254 814 G C 0.484 175.380 174.900 -0.005 0.000 0.981 814 G CA 0.606 45.700 45.100 -0.009 0.000 0.670 814 G HN 0.553 nan 8.290 nan 0.000 0.528 815 R N -0.618 119.875 120.500 -0.012 0.000 2.787 815 R HA 0.544 4.884 4.340 0.000 0.000 0.271 815 R C -0.035 176.256 176.300 -0.016 0.000 0.993 815 R CA -1.041 55.052 56.100 -0.012 0.000 0.993 815 R CB 1.312 31.603 30.300 -0.014 0.000 1.155 815 R HN 0.183 nan 8.270 nan 0.000 0.486 816 L N 3.579 124.791 121.223 -0.018 0.000 2.302 816 L HA 0.077 4.417 4.340 0.000 0.000 0.285 816 L C 1.448 178.302 176.870 -0.027 0.000 1.090 816 L CA -0.019 54.807 54.840 -0.024 0.000 0.866 816 L CB 1.049 43.091 42.059 -0.027 0.000 1.244 816 L HN 0.500 nan 8.230 nan 0.000 0.435 817 V N 3.803 123.699 119.914 -0.030 0.000 2.788 817 V HA 0.323 4.443 4.120 0.000 0.000 0.251 817 V C 0.668 176.739 176.094 -0.039 0.000 1.068 817 V CA 1.174 63.456 62.300 -0.031 0.000 1.090 817 V CB 0.319 32.125 31.823 -0.029 0.000 0.710 817 V HN 0.713 nan 8.190 nan 0.000 0.467 818 A N 0.633 123.424 122.820 -0.050 0.000 2.589 818 A HA 0.768 5.088 4.320 0.000 0.000 0.296 818 A C -1.113 176.404 177.584 -0.111 0.000 1.062 818 A CA -0.449 51.543 52.037 -0.075 0.000 0.686 818 A CB 1.460 20.416 19.000 -0.073 0.000 1.282 818 A HN 0.718 nan 8.150 nan 0.000 0.404 819 Q N 0.977 120.677 119.800 -0.167 0.000 2.353 819 Q HA 0.750 5.090 4.340 0.000 0.000 0.275 819 Q C -0.271 175.388 176.000 -0.569 0.000 1.029 819 Q CA -0.589 55.035 55.803 -0.299 0.000 0.848 819 Q CB 2.093 30.792 28.738 -0.066 0.000 1.390 819 Q HN 2.450 nan 8.270 nan 0.000 0.401 820 G N 0.699 108.731 108.800 -1.281 0.000 2.359 820 G HA2 0.242 4.202 3.960 0.000 0.000 0.293 820 G HA3 0.242 4.202 3.960 0.000 0.000 0.293 820 G C -0.608 173.586 174.900 -1.177 0.000 1.300 820 G CA -0.312 43.858 45.100 -1.550 0.000 0.888 820 G HN 1.073 nan 8.290 nan 0.000 0.541 821 T N -0.693 113.549 114.554 -0.520 0.000 2.855 821 T HA 0.390 4.740 4.350 0.000 0.000 0.322 821 T C -1.022 173.596 174.700 -0.136 0.000 1.088 821 T CA 0.216 62.252 62.100 -0.106 0.000 1.104 821 T CB 1.222 70.124 68.868 0.057 0.000 0.996 821 T HN 0.227 nan 8.240 nan 0.000 0.549 822 P HA -0.120 nan 4.420 nan 0.000 0.215 822 P C 1.782 179.064 177.300 -0.030 0.000 1.157 822 P CA 1.839 64.921 63.100 -0.030 0.000 0.874 822 P CB -0.378 31.337 31.700 0.026 0.000 0.790 823 A N -0.174 122.641 122.820 -0.008 0.000 1.917 823 A HA -0.282 4.038 4.320 0.000 0.000 0.219 823 A C 2.169 179.734 177.584 -0.033 0.000 1.182 823 A CA 1.938 53.970 52.037 -0.009 0.000 0.633 823 A CB -1.298 17.707 19.000 0.008 0.000 0.819 823 A HN 0.209 nan 8.150 nan 0.000 0.448 824 E N -0.623 119.542 120.200 -0.059 0.000 2.077 824 E HA -0.118 4.232 4.350 0.000 0.000 0.193 824 E C 1.956 178.499 176.600 -0.095 0.000 0.989 824 E CA 1.389 57.740 56.400 -0.081 0.000 0.800 824 E CB -0.203 29.423 29.700 -0.123 0.000 0.746 824 E HN 0.431 nan 8.360 nan 0.000 0.452 825 V N 1.114 120.956 119.914 -0.121 0.000 2.591 825 V HA -0.148 3.972 4.120 0.000 0.000 0.249 825 V C 2.253 178.314 176.094 -0.054 0.000 1.053 825 V CA 1.349 63.588 62.300 -0.102 0.000 1.068 825 V CB -0.523 31.224 31.823 -0.128 0.000 0.689 825 V HN 0.276 nan 8.190 nan 0.000 0.462 826 A N -0.555 122.241 122.820 -0.041 0.000 2.084 826 A HA -0.284 4.036 4.320 0.000 0.000 0.221 826 A C 2.080 179.647 177.584 -0.028 0.000 1.161 826 A CA 2.049 54.072 52.037 -0.023 0.000 0.653 826 A CB -0.355 18.636 19.000 -0.016 0.000 0.802 826 A HN 0.511 nan 8.150 nan 0.000 0.457 827 Q N -1.051 118.729 119.800 -0.034 0.000 2.247 827 Q HA 0.499 4.839 4.340 0.000 0.000 0.204 827 Q C 0.440 176.421 176.000 -0.032 0.000 0.872 827 Q CA 0.474 56.258 55.803 -0.031 0.000 0.951 827 Q CB -0.045 28.676 28.738 -0.027 0.000 1.099 827 Q HN 0.561 nan 8.270 nan 0.000 0.501 828 A N -0.243 122.556 122.820 -0.036 0.000 2.477 828 A HA 0.496 4.816 4.320 0.000 0.000 0.246 828 A C 1.052 178.620 177.584 -0.026 0.000 1.078 828 A CA 0.573 52.590 52.037 -0.035 0.000 0.770 828 A CB 0.409 19.384 19.000 -0.041 0.000 1.011 828 A HN 0.419 nan 8.150 nan 0.000 0.494 829 A N 2.735 125.540 122.820 -0.024 0.000 1.843 829 A HA 0.243 4.563 4.320 0.000 0.000 0.213 829 A C 2.012 179.586 177.584 -0.017 0.000 1.202 829 A CA 1.610 53.634 52.037 -0.020 0.000 0.607 829 A CB -1.008 17.981 19.000 -0.019 0.000 0.847 829 A HN 1.387 nan 8.150 nan 0.000 0.445 830 G N -0.683 108.107 108.800 -0.017 0.000 2.920 830 G HA2 0.237 4.197 3.960 0.000 0.000 0.208 830 G HA3 0.237 4.197 3.960 0.000 0.000 0.208 830 G C 0.671 175.564 174.900 -0.012 0.000 1.159 830 G CA 0.769 45.860 45.100 -0.014 0.000 0.784 830 G HN 0.504 nan 8.290 nan 0.000 0.535 831 S N -0.336 115.358 115.700 -0.009 0.000 2.489 831 S HA 0.265 4.735 4.470 0.000 0.000 0.277 831 S C 1.325 175.940 174.600 0.025 0.000 1.230 831 S CA -0.646 57.554 58.200 0.000 0.000 1.053 831 S CB 1.622 64.821 63.200 -0.001 0.000 0.955 831 S HN -0.071 nan 8.310 nan 0.000 0.488 832 V N 4.741 124.674 119.914 0.032 0.000 2.871 832 V HA -0.036 4.084 4.120 0.000 0.000 0.256 832 V C 2.606 178.858 176.094 0.263 0.000 1.082 832 V CA 2.047 64.401 62.300 0.091 0.000 1.105 832 V CB -0.368 31.468 31.823 0.022 0.000 0.713 832 V HN 1.053 nan 8.190 nan 0.000 0.473 833 T N -1.905 112.799 114.554 0.251 0.000 3.081 833 T HA 0.108 4.458 4.350 0.000 0.000 0.255 833 T C 1.815 176.672 174.700 0.263 0.000 1.113 833 T CA 1.068 63.421 62.100 0.421 0.000 1.082 833 T CB 0.117 69.222 68.868 0.394 0.000 0.939 833 T HN 0.377 nan 8.240 nan 0.000 0.506 834 A N 2.866 125.762 122.820 0.127 0.000 1.865 834 A HA 0.090 4.410 4.320 0.000 0.000 0.217 834 A C 0.295 177.877 177.584 -0.003 0.000 1.191 834 A CA 1.423 53.485 52.037 0.042 0.000 0.623 834 A CB -1.657 17.345 19.000 0.005 0.000 0.826 834 A HN 0.490 nan 8.150 nan 0.000 0.444 835 P HA -0.179 nan 4.420 nan 0.000 0.216 835 P C 0.886 178.030 177.300 -0.260 0.000 1.153 835 P CA 1.453 64.413 63.100 -0.234 0.000 0.858 835 P CB -0.224 31.218 31.700 -0.430 0.000 0.789 836 Y N -1.464 118.839 120.300 0.004 0.000 2.220 836 Y HA -0.056 4.494 4.550 0.000 0.000 0.291 836 Y C 2.508 178.393 175.900 -0.025 0.000 1.129 836 Y CA 0.603 58.691 58.100 -0.020 0.000 1.161 836 Y CB -1.070 37.361 38.460 -0.049 0.000 0.997 836 Y HN -0.147 nan 8.280 nan 0.000 0.522 837 L N 0.195 121.495 121.223 0.128 0.000 2.046 837 L HA -0.250 4.090 4.340 0.000 0.000 0.208 837 L C 2.763 179.650 176.870 0.027 0.000 1.077 837 L CA 1.404 56.281 54.840 0.062 0.000 0.747 837 L CB -0.305 41.783 42.059 0.048 0.000 0.896 837 L HN 0.230 nan 8.230 nan 0.000 0.432 838 R N -0.164 120.339 120.500 0.005 0.000 2.083 838 R HA -0.226 4.114 4.340 0.000 0.000 0.237 838 R C 2.186 178.477 176.300 -0.015 0.000 1.137 838 R CA 1.752 57.844 56.100 -0.014 0.000 0.951 838 R CB -0.320 29.958 30.300 -0.037 0.000 0.851 838 R HN 0.453 nan 8.270 nan 0.000 0.434 839 A N 0.653 123.461 122.820 -0.021 0.000 1.902 839 A HA -0.073 4.247 4.320 0.000 0.000 0.217 839 A C 2.341 179.924 177.584 -0.003 0.000 1.181 839 A CA 1.620 53.646 52.037 -0.018 0.000 0.623 839 A CB -0.763 18.225 19.000 -0.020 0.000 0.818 839 A HN 0.555 nan 8.150 nan 0.000 0.443 840 A N -0.690 122.142 122.820 0.020 0.000 2.125 840 A HA 0.097 4.417 4.320 0.000 0.000 0.219 840 A C 1.483 179.080 177.584 0.021 0.000 1.156 840 A CA 0.896 52.947 52.037 0.024 0.000 0.671 840 A CB -0.500 18.520 19.000 0.033 0.000 0.794 840 A HN 0.441 nan 8.150 nan 0.000 0.459 841 L N 0.095 121.327 121.223 0.016 0.000 2.968 841 L HA 0.219 4.559 4.340 0.000 0.000 0.235 841 L C 0.661 177.534 176.870 0.005 0.000 1.323 841 L CA -0.122 54.730 54.840 0.020 0.000 1.159 841 L CB -0.374 41.697 42.059 0.021 0.000 1.523 841 L HN 0.300 nan 8.230 nan 0.000 0.468 842 R N 0.000 120.491 120.500 -0.016 0.000 2.786 842 R HA 0.000 4.340 4.340 0.000 0.000 0.208 842 R CA 0.000 56.070 56.100 -0.050 0.000 0.921 842 R CB 0.000 30.262 30.300 -0.063 0.000 0.687 842 R HN 0.000 nan 8.270 nan 0.000 0.535