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 1grl_1_A DATA FIRST_RESID 6 DATA SEQUENCE VKFGNDAGVK MLRGVNVLAD AVKVTLGPKG RNVVLDKSFG APTITKDGVS DATA SEQUENCE VAREIELEDK FENMGAQMVK EVASKANDAA GDGTTTATVL AQAIITEGLK DATA SEQUENCE AVAAGMNPMD LKRGIDKAVT VAVEELKALS VPCSDSKAIA QVGTISANSD DATA SEQUENCE ETVGKLIAEA MDKVGKEGVI TVEDGTGLQD ELDVVEGMQF DRGYLSPYFI DATA SEQUENCE NKPETGAVEL ESPFILLADK KISNIREMLP VLEAVAKAGK PLLIIAEDVE DATA SEQUENCE GEALATAVVN TMRGIVKVAA VKAPGFGDRR KAMLQDIATL TGGTVISEEI DATA SEQUENCE GMELEKATLE DLGQAKRVVI NKDTTTIIDG VGEEAAIQGR VAQIRQQIEE DATA SEQUENCE ATSDYDREKL QERVAKLAGG VAVIKVGAAT EVEMKEKKAR VEDALHATRA DATA SEQUENCE AVEEGVVAGG GVALIRVASK LADLRGQNED QNVGIKVALR AMEAPLRQIV DATA SEQUENCE LNCGEEPSVV ANTVKGGDGN YGYNAATEEY GNMIDMGILD PTKVTRSALQ DATA SEQUENCE YAASVAGLMI TTECMVTD 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.978 176.094 -0.193 0.000 1.182 6 V CA 0.000 62.260 62.300 -0.067 0.000 1.235 6 V CB 0.000 31.755 31.823 -0.113 0.000 1.184 7 K N 5.330 125.504 120.400 -0.377 0.000 2.422 7 K HA 0.460 nan 4.320 nan 0.000 0.251 7 K C -2.128 174.129 176.600 -0.572 0.000 0.933 7 K CA -1.223 54.785 56.287 -0.465 0.000 0.798 7 K CB 4.575 36.652 32.500 -0.704 0.000 1.238 7 K HN 0.304 8.362 8.250 -0.320 0.000 0.428 8 F N 0.074 119.976 119.950 -0.080 0.000 2.522 8 F HA 0.654 nan 4.527 nan 0.000 0.324 8 F C 0.527 176.296 175.800 -0.051 0.000 1.077 8 F CA -0.745 57.228 58.000 -0.045 0.000 0.944 8 F CB 2.780 41.763 39.000 -0.030 0.000 1.175 8 F HN 0.076 8.380 8.300 0.007 0.000 0.468 9 G N 1.150 110.062 108.800 0.187 0.000 2.627 9 G HA2 -0.582 nan 3.960 nan 0.000 0.312 9 G HA3 -0.582 nan 3.960 nan 0.000 0.312 9 G C 0.167 175.087 174.900 0.033 0.000 1.299 9 G CA 1.304 46.459 45.100 0.092 0.000 0.989 9 G HN 0.496 8.930 8.290 0.240 0.000 0.547 10 N N 3.326 122.039 118.700 0.021 0.000 2.137 10 N HA -0.381 nan 4.740 nan 0.000 0.190 10 N C 1.832 177.327 175.510 -0.024 0.000 1.017 10 N CA 3.119 56.169 53.050 -0.001 0.000 0.859 10 N CB -0.166 38.321 38.487 -0.001 0.000 1.002 10 N HN 0.225 8.622 8.380 0.028 0.000 0.428 11 D N -0.600 119.779 120.400 -0.035 0.000 2.264 11 D HA -0.201 nan 4.640 nan 0.000 0.208 11 D C 1.185 177.390 176.300 -0.159 0.000 0.966 11 D CA 2.783 56.729 54.000 -0.090 0.000 0.864 11 D CB -0.520 40.228 40.800 -0.088 0.000 0.933 11 D HN -0.397 7.948 8.370 -0.010 0.019 0.499 12 A N -0.605 122.143 122.820 -0.120 0.000 1.903 12 A HA 0.042 nan 4.320 nan 0.000 0.213 12 A C 1.950 179.501 177.584 -0.055 0.000 1.185 12 A CA 2.458 54.418 52.037 -0.129 0.000 0.628 12 A CB -0.348 18.608 19.000 -0.074 0.000 0.830 12 A HN 0.167 8.109 8.150 -0.065 0.169 0.446 13 G N -1.538 107.244 108.800 -0.030 0.000 2.408 13 G HA2 -0.260 nan 3.960 nan 0.000 0.217 13 G HA3 -0.260 nan 3.960 nan 0.000 0.217 13 G C 1.078 175.972 174.900 -0.010 0.000 1.150 13 G CA 2.010 47.104 45.100 -0.009 0.000 0.776 13 G HN -0.242 7.937 8.290 -0.029 0.094 0.542 14 V N -2.637 117.262 119.914 -0.025 0.000 2.626 14 V HA -0.133 nan 4.120 nan 0.000 0.252 14 V C 1.745 177.832 176.094 -0.011 0.000 1.067 14 V CA 3.016 65.305 62.300 -0.019 0.000 1.081 14 V CB -0.894 30.913 31.823 -0.027 0.000 0.686 14 V HN 0.445 8.516 8.190 -0.038 0.096 0.468 15 K N 0.060 120.449 120.400 -0.017 0.000 2.098 15 K HA -0.080 nan 4.320 nan 0.000 0.203 15 K C 2.378 179.010 176.600 0.053 0.000 1.051 15 K CA 1.811 58.113 56.287 0.026 0.000 0.957 15 K CB -0.608 31.916 32.500 0.041 0.000 0.738 15 K HN -0.686 7.402 8.250 -0.043 0.136 0.447 16 M N -0.447 119.180 119.600 0.044 0.000 2.117 16 M HA -0.336 nan 4.480 nan 0.000 0.262 16 M C 2.419 178.737 176.300 0.029 0.000 1.065 16 M CA 3.842 59.167 55.300 0.043 0.000 1.114 16 M CB 0.176 32.798 32.600 0.036 0.000 1.361 16 M HN -0.456 7.851 8.290 0.029 0.000 0.408 17 L N -1.519 119.716 121.223 0.021 0.000 2.027 17 L HA -0.315 nan 4.340 nan 0.000 0.206 17 L C 1.538 178.417 176.870 0.016 0.000 1.074 17 L CA 3.259 58.108 54.840 0.015 0.000 0.745 17 L CB -0.409 41.656 42.059 0.010 0.000 0.898 17 L HN -0.250 7.985 8.230 0.017 0.005 0.433 18 R N -1.662 118.848 120.500 0.017 0.000 2.119 18 R HA -0.420 nan 4.340 nan 0.000 0.246 18 R C 2.714 179.026 176.300 0.020 0.000 1.146 18 R CA 3.849 59.959 56.100 0.017 0.000 0.962 18 R CB -0.223 30.089 30.300 0.020 0.000 0.863 18 R HN -0.257 8.023 8.270 0.016 0.000 0.442 19 G N -4.970 103.845 108.800 0.025 0.000 2.939 19 G HA2 0.093 nan 3.960 nan 0.000 0.210 19 G HA3 0.093 nan 3.960 nan 0.000 0.210 19 G C 0.573 175.483 174.900 0.017 0.000 1.160 19 G CA 0.612 45.725 45.100 0.022 0.000 0.770 19 G HN -0.442 7.864 8.290 0.031 0.002 0.543 20 V N 3.270 123.194 119.914 0.017 0.000 2.446 20 V HA -0.273 nan 4.120 nan 0.000 0.244 20 V C 1.514 177.615 176.094 0.012 0.000 1.039 20 V CA 3.591 65.900 62.300 0.015 0.000 1.045 20 V CB -0.204 31.629 31.823 0.016 0.000 0.681 20 V HN -0.278 7.746 8.190 0.019 0.178 0.459 21 N N -0.766 117.940 118.700 0.011 0.000 2.166 21 N HA -0.274 nan 4.740 nan 0.000 0.186 21 N C 2.264 177.779 175.510 0.008 0.000 1.019 21 N CA 3.421 56.476 53.050 0.009 0.000 0.856 21 N CB -0.556 37.936 38.487 0.008 0.000 0.993 21 N HN -0.043 8.344 8.380 0.012 0.000 0.426 22 V N 0.576 120.495 119.914 0.008 0.000 2.237 22 V HA -0.358 nan 4.120 nan 0.000 0.245 22 V C 1.778 177.875 176.094 0.006 0.000 1.046 22 V CA 4.051 66.355 62.300 0.007 0.000 1.007 22 V CB -0.617 31.210 31.823 0.007 0.000 0.638 22 V HN -0.752 7.354 8.190 0.010 0.091 0.445 23 L N -0.857 120.369 121.223 0.006 0.000 1.990 23 L HA -0.437 nan 4.340 nan 0.000 0.213 23 L C 1.653 178.526 176.870 0.006 0.000 1.072 23 L CA 3.331 58.174 54.840 0.005 0.000 0.755 23 L CB -0.802 41.261 42.059 0.006 0.000 0.889 23 L HN -0.797 7.438 8.230 0.008 0.000 0.432 24 A N -2.151 120.673 122.820 0.007 0.000 1.877 24 A HA -0.407 nan 4.320 nan 0.000 0.216 24 A C 1.947 179.535 177.584 0.006 0.000 1.186 24 A CA 3.392 55.434 52.037 0.007 0.000 0.620 24 A CB -1.001 18.004 19.000 0.009 0.000 0.822 24 A HN 0.603 8.652 8.150 0.008 0.106 0.443 25 D N -1.212 119.191 120.400 0.005 0.000 2.182 25 D HA -0.265 nan 4.640 nan 0.000 0.201 25 D C 1.486 177.788 176.300 0.004 0.000 0.986 25 D CA 2.839 56.841 54.000 0.004 0.000 0.847 25 D CB -0.400 40.402 40.800 0.004 0.000 0.942 25 D HN 0.180 8.436 8.370 0.006 0.118 0.467 26 A N -2.103 120.719 122.820 0.004 0.000 1.903 26 A HA 0.025 nan 4.320 nan 0.000 0.213 26 A C 1.474 179.060 177.584 0.004 0.000 1.185 26 A CA 2.420 54.459 52.037 0.003 0.000 0.628 26 A CB 0.601 19.602 19.000 0.003 0.000 0.830 26 A HN -0.605 7.522 8.150 0.004 0.026 0.446 27 V N -2.120 117.797 119.914 0.004 0.000 2.535 27 V HA -0.184 nan 4.120 nan 0.000 0.246 27 V C 2.230 178.327 176.094 0.006 0.000 1.045 27 V CA 3.348 65.651 62.300 0.005 0.000 1.058 27 V CB -0.482 31.344 31.823 0.005 0.000 0.689 27 V HN -0.636 7.556 8.190 0.004 0.000 0.461 28 K N -0.021 120.382 120.400 0.005 0.000 2.442 28 K HA -0.248 nan 4.320 nan 0.000 0.198 28 K C 2.480 179.083 176.600 0.004 0.000 1.042 28 K CA 2.732 59.022 56.287 0.005 0.000 0.958 28 K CB -0.577 31.926 32.500 0.005 0.000 0.766 28 K HN 0.045 8.298 8.250 0.005 0.000 0.474 29 V N -0.505 119.411 119.914 0.004 0.000 2.759 29 V HA -0.203 nan 4.120 nan 0.000 0.256 29 V C 1.011 177.108 176.094 0.004 0.000 1.080 29 V CA 3.076 65.378 62.300 0.003 0.000 1.101 29 V CB -0.638 31.187 31.823 0.003 0.000 0.698 29 V HN -0.013 8.008 8.190 0.004 0.171 0.477 30 T N -4.804 109.753 114.554 0.005 0.000 3.081 30 T HA -0.001 nan 4.350 nan 0.000 0.250 30 T C 0.226 174.931 174.700 0.007 0.000 1.100 30 T CA 0.052 62.156 62.100 0.006 0.000 1.038 30 T CB -0.033 68.840 68.868 0.007 0.000 0.962 30 T HN -0.403 7.706 8.240 0.005 0.135 0.516 31 L N 3.389 124.616 121.223 0.007 0.000 2.453 31 L HA -0.095 nan 4.340 nan 0.000 0.272 31 L C -0.228 176.648 176.870 0.009 0.000 1.182 31 L CA 1.383 56.228 54.840 0.008 0.000 0.858 31 L CB 0.406 42.469 42.059 0.007 0.000 1.120 31 L HN -0.719 7.332 8.230 0.006 0.182 0.474 32 G N 3.096 111.903 108.800 0.012 0.000 2.570 32 G HA2 -0.135 nan 3.960 nan 0.000 0.686 32 G HA3 -0.135 nan 3.960 nan 0.000 0.686 32 G C -1.807 173.101 174.900 0.014 0.000 1.257 32 G CA -0.693 44.416 45.100 0.015 0.000 0.846 32 G HN -0.450 7.847 8.290 0.012 0.000 0.627 33 P HA -0.020 nan 4.420 nan 0.000 0.236 33 P C -1.005 176.300 177.300 0.009 0.000 1.177 33 P CA 0.803 63.909 63.100 0.009 0.000 0.773 33 P CB 0.261 31.965 31.700 0.005 0.000 0.878 34 K N -1.525 118.882 120.400 0.013 0.000 3.010 34 K HA 0.255 nan 4.320 nan 0.000 0.211 34 K C -0.503 176.103 176.600 0.010 0.000 1.146 34 K CA -1.898 54.396 56.287 0.011 0.000 1.070 34 K CB -1.188 31.322 32.500 0.015 0.000 0.908 34 K HN -0.081 8.119 8.250 0.016 0.060 0.463 35 G N -0.651 108.155 108.800 0.009 0.000 2.544 35 G HA2 0.009 nan 3.960 nan 0.000 0.242 35 G HA3 0.009 nan 3.960 nan 0.000 0.242 35 G C -1.277 173.627 174.900 0.006 0.000 1.247 35 G CA -0.084 45.021 45.100 0.008 0.000 0.840 35 G HN -0.627 7.582 8.290 0.009 0.086 0.578 36 R N 1.468 121.971 120.500 0.006 0.000 2.596 36 R HA 0.133 nan 4.340 nan 0.000 0.267 36 R C -0.529 175.774 176.300 0.005 0.000 1.026 36 R CA -2.597 53.506 56.100 0.005 0.000 1.087 36 R CB 1.491 31.794 30.300 0.004 0.000 1.132 36 R HN 0.013 8.286 8.270 0.005 0.000 0.531 37 N N -1.344 117.359 118.700 0.005 0.000 2.483 37 N HA 0.126 nan 4.740 nan 0.000 0.269 37 N C -0.705 174.808 175.510 0.004 0.000 1.209 37 N CA 0.169 53.222 53.050 0.005 0.000 0.969 37 N CB 1.195 39.684 38.487 0.005 0.000 1.173 37 N HN -0.156 8.226 8.380 0.004 0.000 0.475 38 V N 2.377 122.293 119.914 0.004 0.000 2.577 38 V HA 0.241 nan 4.120 nan 0.000 0.303 38 V C -1.224 174.872 176.094 0.004 0.000 1.042 38 V CA -0.732 61.570 62.300 0.004 0.000 0.872 38 V CB 3.298 35.123 31.823 0.004 0.000 0.998 38 V HN 0.620 8.813 8.190 0.005 0.000 0.423 39 V N 6.568 126.484 119.914 0.003 0.000 2.334 39 V HA 0.453 nan 4.120 nan 0.000 0.267 39 V C -0.342 175.753 176.094 0.001 0.000 1.040 39 V CA -0.889 61.413 62.300 0.003 0.000 0.866 39 V CB -0.990 30.834 31.823 0.002 0.000 1.019 39 V HN 0.330 8.521 8.190 0.002 0.000 0.468 40 L N 9.022 130.246 121.223 0.002 0.000 2.277 40 L HA 0.331 nan 4.340 nan 0.000 0.284 40 L C -0.579 176.291 176.870 -0.001 0.000 1.028 40 L CA -1.346 53.494 54.840 0.000 0.000 0.835 40 L CB 0.541 42.602 42.059 0.003 0.000 1.215 40 L HN 0.790 9.023 8.230 0.004 0.000 0.425 41 D N 5.610 126.007 120.400 -0.006 0.000 2.364 41 D HA -0.167 nan 4.640 nan 0.000 0.236 41 D C -1.414 174.877 176.300 -0.015 0.000 1.221 41 D CA 0.992 54.986 54.000 -0.011 0.000 0.891 41 D CB 1.428 42.217 40.800 -0.019 0.000 1.190 41 D HN 0.318 8.684 8.370 -0.007 0.000 0.449 42 K N 0.015 120.404 120.400 -0.020 0.000 2.512 42 K HA 0.254 nan 4.320 nan 0.000 0.263 42 K C 0.816 177.369 176.600 -0.079 0.000 0.966 42 K CA -1.013 55.258 56.287 -0.027 0.000 0.851 42 K CB 2.672 35.180 32.500 0.013 0.000 1.395 42 K HN -0.141 8.098 8.250 -0.019 0.000 0.440 43 S N 1.465 117.077 115.700 -0.147 0.000 2.381 43 S HA -0.264 nan 4.470 nan 0.000 0.230 43 S C 0.492 174.747 174.600 -0.575 0.000 1.052 43 S CA 2.596 60.560 58.200 -0.393 0.000 1.068 43 S CB -0.168 62.730 63.200 -0.504 0.000 0.918 43 S HN 0.520 8.770 8.310 -0.100 0.000 0.448 44 F N 2.056 122.002 119.950 -0.006 0.000 2.550 44 F HA 0.152 nan 4.527 nan 0.000 0.312 44 F C -0.067 175.730 175.800 -0.004 0.000 1.256 44 F CA -0.534 57.462 58.000 -0.006 0.000 1.182 44 F CB -0.529 38.467 39.000 -0.007 0.000 1.383 44 F HN -0.639 7.673 8.300 0.021 0.000 0.541 45 G N 1.237 110.089 108.800 0.087 0.000 3.016 45 G HA2 -0.340 nan 3.960 nan 0.000 0.518 45 G HA3 -0.340 nan 3.960 nan 0.000 0.518 45 G C -1.378 173.556 174.900 0.057 0.000 1.586 45 G CA -0.214 44.922 45.100 0.060 0.000 1.051 45 G HN -0.396 7.838 8.290 0.008 0.061 0.572 46 A N 0.023 122.863 122.820 0.034 0.000 2.009 46 A HA -0.175 nan 4.320 nan 0.000 0.247 46 A C -2.305 175.293 177.584 0.024 0.000 1.355 46 A CA -0.539 51.515 52.037 0.028 0.000 0.696 46 A CB -0.515 18.504 19.000 0.033 0.000 1.175 46 A HN 0.006 8.172 8.150 0.027 0.000 0.279 47 P HA -0.069 nan 4.420 nan 0.000 0.265 47 P C -0.525 176.783 177.300 0.013 0.000 1.187 47 P CA -0.189 62.917 63.100 0.011 0.000 0.766 47 P CB 0.436 32.139 31.700 0.005 0.000 0.820 48 T N -0.231 114.331 114.554 0.013 0.000 2.728 48 T HA 0.282 nan 4.350 nan 0.000 0.296 48 T C -0.171 174.535 174.700 0.010 0.000 0.940 48 T CA -1.071 61.037 62.100 0.013 0.000 1.013 48 T CB 0.409 69.286 68.868 0.015 0.000 0.912 48 T HN 0.221 8.467 8.240 0.011 0.000 0.484 49 I N 7.755 128.331 120.570 0.009 0.000 2.308 49 I HA 0.306 nan 4.170 nan 0.000 0.293 49 I C -0.191 175.930 176.117 0.008 0.000 1.078 49 I CA -0.012 61.293 61.300 0.007 0.000 1.292 49 I CB -0.772 37.233 38.000 0.007 0.000 1.423 49 I HN 0.403 8.619 8.210 0.010 0.000 0.493 50 T N 6.498 121.056 114.554 0.008 0.000 2.807 50 T HA 0.565 nan 4.350 nan 0.000 0.277 50 T C -1.161 173.543 174.700 0.007 0.000 1.006 50 T CA -1.911 60.194 62.100 0.008 0.000 1.006 50 T CB 3.142 72.016 68.868 0.009 0.000 1.274 50 T HN 0.838 9.082 8.240 0.007 0.000 0.569 51 K N -2.255 118.150 120.400 0.008 0.000 2.817 51 K HA 0.172 nan 4.320 nan 0.000 0.183 51 K C -2.201 174.404 176.600 0.008 0.000 1.145 51 K CA 0.020 56.312 56.287 0.007 0.000 1.114 51 K CB 1.327 33.831 32.500 0.007 0.000 0.767 51 K HN 0.209 8.464 8.250 0.008 0.000 0.453 52 D N -0.259 120.146 120.400 0.008 0.000 2.414 52 D HA 0.151 nan 4.640 nan 0.000 0.232 52 D C 0.876 177.180 176.300 0.007 0.000 1.070 52 D CA -1.532 52.473 54.000 0.009 0.000 0.839 52 D CB 1.013 41.819 40.800 0.010 0.000 1.079 52 D HN -0.800 7.575 8.370 0.008 0.000 0.521 53 G N 5.098 113.902 108.800 0.007 0.000 2.574 53 G HA2 -0.458 nan 3.960 nan 0.000 0.220 53 G HA3 -0.458 nan 3.960 nan 0.000 0.220 53 G C 0.908 175.810 174.900 0.004 0.000 1.173 53 G CA 2.375 47.478 45.100 0.006 0.000 0.772 53 G HN 0.580 8.875 8.290 0.008 0.000 0.585 54 V N 0.410 120.326 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.892 177.988 176.094 0.003 0.000 1.045 54 V CA 4.067 66.367 62.300 0.000 0.000 1.000 54 V CB -0.337 31.485 31.823 -0.002 0.000 0.635 54 V HN -0.616 7.752 8.190 0.004 -0.176 0.445 55 S N -0.750 114.953 115.700 0.006 0.000 2.399 55 S HA -0.500 nan 4.470 nan 0.000 0.235 55 S C 1.988 176.592 174.600 0.006 0.000 1.063 55 S CA 3.731 61.936 58.200 0.008 0.000 1.070 55 S CB -0.417 62.789 63.200 0.010 0.000 0.904 55 S HN -0.333 7.981 8.310 0.006 0.000 0.456 56 V N -0.510 119.407 119.914 0.005 0.000 2.307 56 V HA -0.314 nan 4.120 nan 0.000 0.245 56 V C 2.184 178.279 176.094 0.002 0.000 1.045 56 V CA 4.000 66.303 62.300 0.004 0.000 1.024 56 V CB -0.950 30.875 31.823 0.004 0.000 0.651 56 V HN -0.450 7.731 8.190 0.005 0.012 0.449 57 A N -0.105 122.716 122.820 0.002 0.000 1.972 57 A HA -0.279 nan 4.320 nan 0.000 0.219 57 A C 1.805 179.389 177.584 -0.000 0.000 1.169 57 A CA 2.928 54.965 52.037 0.000 0.000 0.635 57 A CB -0.796 18.203 19.000 -0.001 0.000 0.810 57 A HN -0.292 7.859 8.150 0.002 0.000 0.446 58 R N -2.035 118.466 120.500 0.001 0.000 2.159 58 R HA -0.308 nan 4.340 nan 0.000 0.237 58 R C 1.637 177.938 176.300 0.003 0.000 1.131 58 R CA 2.808 58.910 56.100 0.003 0.000 0.982 58 R CB 0.158 30.463 30.300 0.008 0.000 0.868 58 R HN -0.098 8.151 8.270 0.002 0.022 0.453 59 E N -2.659 117.542 120.200 0.002 0.000 2.405 59 E HA 0.020 nan 4.350 nan 0.000 0.214 59 E C -0.642 175.956 176.600 -0.003 0.000 1.101 59 E CA -0.883 55.517 56.400 -0.001 0.000 1.254 59 E CB -0.605 29.095 29.700 -0.001 0.000 1.240 59 E HN -0.570 7.653 8.360 0.002 0.138 0.439 60 I N 0.738 121.306 120.570 -0.003 0.000 2.466 60 I HA 0.116 nan 4.170 nan 0.000 0.279 60 I C -2.115 173.999 176.117 -0.006 0.000 1.033 60 I CA -0.484 60.814 61.300 -0.004 0.000 1.123 60 I CB 1.301 39.300 38.000 -0.002 0.000 1.237 60 I HN -0.252 7.878 8.210 -0.003 0.079 0.460 61 E N 7.517 127.712 120.200 -0.008 0.000 2.246 61 E HA 0.224 nan 4.350 nan 0.000 0.266 61 E C -1.822 174.772 176.600 -0.011 0.000 0.880 61 E CA -0.884 55.509 56.400 -0.012 0.000 0.762 61 E CB 2.703 32.393 29.700 -0.016 0.000 1.180 61 E HN 0.146 8.501 8.360 -0.008 0.000 0.416 62 L N 4.726 125.944 121.223 -0.009 0.000 2.387 62 L HA 0.222 nan 4.340 nan 0.000 0.266 62 L C 0.383 177.247 176.870 -0.010 0.000 1.059 62 L CA -0.679 54.157 54.840 -0.005 0.000 0.801 62 L CB 1.044 43.105 42.059 0.004 0.000 1.223 62 L HN 0.096 8.319 8.230 -0.011 0.000 0.456 63 E N 1.058 121.254 120.200 -0.006 0.000 2.150 63 E HA -0.278 nan 4.350 nan 0.000 0.193 63 E C 0.029 176.624 176.600 -0.008 0.000 0.985 63 E CA 2.162 58.557 56.400 -0.008 0.000 0.814 63 E CB 0.378 30.076 29.700 -0.003 0.000 0.752 63 E HN 0.437 8.796 8.360 -0.001 0.000 0.466 64 D N -1.042 119.361 120.400 0.006 0.000 2.304 64 D HA 0.031 nan 4.640 nan 0.000 0.250 64 D C 1.161 177.450 176.300 -0.018 0.000 1.107 64 D CA -0.282 53.730 54.000 0.020 0.000 0.885 64 D CB 1.569 42.408 40.800 0.066 0.000 1.192 64 D HN -0.152 8.208 8.370 0.012 0.017 0.436 65 K N 4.716 125.062 120.400 -0.091 0.000 1.985 65 K HA -0.252 nan 4.320 nan 0.000 0.210 65 K C 2.487 178.954 176.600 -0.222 0.000 1.047 65 K CA 3.226 59.378 56.287 -0.224 0.000 0.932 65 K CB -0.000 32.245 32.500 -0.425 0.000 0.716 65 K HN 0.329 8.537 8.250 -0.069 0.000 0.439 66 F N -3.036 116.898 119.950 -0.027 0.000 2.120 66 F HA -0.389 nan 4.527 nan 0.000 0.300 66 F C 2.218 178.005 175.800 -0.023 0.000 1.095 66 F CA 3.949 61.931 58.000 -0.030 0.000 1.249 66 F CB -0.653 38.328 39.000 -0.032 0.000 0.995 66 F HN -0.405 7.940 8.300 -0.187 -0.157 0.480 67 E N -1.869 118.421 120.200 0.149 0.000 2.072 67 E HA -0.419 nan 4.350 nan 0.000 0.190 67 E C 2.216 178.838 176.600 0.037 0.000 0.982 67 E CA 2.622 59.070 56.400 0.080 0.000 0.803 67 E CB -0.478 29.259 29.700 0.061 0.000 0.755 67 E HN -0.420 8.188 8.360 0.161 -0.151 0.453 68 N N 0.227 118.932 118.700 0.009 0.000 2.104 68 N HA -0.342 nan 4.740 nan 0.000 0.190 68 N C 2.057 177.559 175.510 -0.013 0.000 1.024 68 N CA 3.159 56.201 53.050 -0.013 0.000 0.853 68 N CB 0.301 38.766 38.487 -0.037 0.000 1.008 68 N HN -0.209 8.108 8.380 0.006 0.067 0.424 69 M N -0.782 118.807 119.600 -0.019 0.000 2.084 69 M HA -0.431 nan 4.480 nan 0.000 0.259 69 M C 2.022 178.329 176.300 0.012 0.000 1.072 69 M CA 4.107 59.400 55.300 -0.012 0.000 1.107 69 M CB -0.050 32.544 32.600 -0.010 0.000 1.299 69 M HN 0.424 8.625 8.290 -0.030 0.070 0.413 70 G N -4.069 104.752 108.800 0.036 0.000 2.499 70 G HA2 -0.344 nan 3.960 nan 0.000 0.221 70 G HA3 -0.344 nan 3.960 nan 0.000 0.221 70 G C 0.488 175.401 174.900 0.022 0.000 1.109 70 G CA 2.089 47.210 45.100 0.035 0.000 0.749 70 G HN -0.032 8.292 8.290 0.056 0.000 0.568 71 A N 0.428 123.257 122.820 0.015 0.000 1.942 71 A HA 0.193 nan 4.320 nan 0.000 0.209 71 A C 1.983 179.569 177.584 0.003 0.000 1.214 71 A CA 1.561 53.604 52.037 0.009 0.000 0.686 71 A CB -0.109 18.895 19.000 0.007 0.000 0.871 71 A HN -0.400 7.590 8.150 0.015 0.169 0.460 72 Q N -1.379 118.419 119.800 -0.002 0.000 2.364 72 Q HA -0.297 nan 4.340 nan 0.000 0.209 72 Q C 2.495 178.491 176.000 -0.006 0.000 0.977 72 Q CA 2.217 58.015 55.803 -0.008 0.000 0.885 72 Q CB -0.577 28.151 28.738 -0.016 0.000 0.941 72 Q HN 0.252 8.521 8.270 -0.003 0.000 0.464 73 M N -0.617 118.983 119.600 0.000 0.000 2.115 73 M HA -0.247 nan 4.480 nan 0.000 0.261 73 M C 1.548 177.851 176.300 0.006 0.000 1.079 73 M CA 4.340 59.642 55.300 0.005 0.000 1.143 73 M CB 0.102 32.710 32.600 0.012 0.000 1.332 73 M HN -0.422 7.817 8.290 0.004 0.053 0.421 74 V N -1.386 118.534 119.914 0.010 0.000 2.688 74 V HA -0.449 nan 4.120 nan 0.000 0.256 74 V C 2.343 178.437 176.094 -0.000 0.000 1.084 74 V CA 3.812 66.120 62.300 0.012 0.000 1.103 74 V CB -1.587 30.245 31.823 0.015 0.000 0.688 74 V HN -0.061 8.136 8.190 0.011 0.000 0.480 75 K N -2.166 118.230 120.400 -0.007 0.000 2.137 75 K HA -0.168 nan 4.320 nan 0.000 0.202 75 K C 1.488 178.069 176.600 -0.032 0.000 1.052 75 K CA 2.881 59.158 56.287 -0.017 0.000 0.961 75 K CB -0.244 32.249 32.500 -0.013 0.000 0.741 75 K HN -0.417 7.694 8.250 -0.004 0.137 0.452 76 E N -1.003 119.179 120.200 -0.030 0.000 2.158 76 E HA -0.102 nan 4.350 nan 0.000 0.191 76 E C 1.734 178.288 176.600 -0.077 0.000 0.982 76 E CA 2.538 58.911 56.400 -0.045 0.000 0.823 76 E CB 0.908 30.590 29.700 -0.030 0.000 0.766 76 E HN -0.626 7.722 8.360 -0.020 0.000 0.468 77 V N -0.991 118.887 119.914 -0.061 0.000 2.302 77 V HA -0.214 nan 4.120 nan 0.000 0.243 77 V C 2.253 178.232 176.094 -0.193 0.000 1.036 77 V CA 3.972 66.218 62.300 -0.090 0.000 1.020 77 V CB -0.319 31.523 31.823 0.032 0.000 0.657 77 V HN -0.449 7.723 8.190 -0.030 0.000 0.453 78 A N -1.535 121.234 122.820 -0.084 0.000 2.178 78 A HA -0.288 nan 4.320 nan 0.000 0.218 78 A C 1.324 178.825 177.584 -0.138 0.000 1.157 78 A CA 2.831 54.824 52.037 -0.074 0.000 0.689 78 A CB -1.011 17.981 19.000 -0.013 0.000 0.787 78 A HN -0.480 7.648 8.150 -0.036 0.000 0.465 79 S N -3.320 112.283 115.700 -0.161 0.000 2.387 79 S HA -0.266 nan 4.470 nan 0.000 0.226 79 S C 1.765 176.234 174.600 -0.218 0.000 1.026 79 S CA 2.936 61.050 58.200 -0.143 0.000 0.972 79 S CB -0.239 62.899 63.200 -0.104 0.000 0.814 79 S HN -0.369 7.674 8.310 -0.147 0.178 0.477 80 K N 0.666 120.826 120.400 -0.399 0.000 2.515 80 K HA -0.179 nan 4.320 nan 0.000 0.196 80 K C 1.471 177.704 176.600 -0.611 0.000 1.038 80 K CA 1.678 57.620 56.287 -0.575 0.000 0.967 80 K CB -0.467 31.517 32.500 -0.859 0.000 0.780 80 K HN -0.278 7.582 8.250 -0.415 0.141 0.483 81 A N -0.151 122.412 122.820 -0.428 0.000 1.823 81 A HA -0.227 nan 4.320 nan 0.000 0.214 81 A C 1.126 178.700 177.584 -0.017 0.000 1.225 81 A CA 2.752 54.754 52.037 -0.058 0.000 0.604 81 A CB -0.492 18.525 19.000 0.029 0.000 0.878 81 A HN -0.616 7.105 8.150 -0.394 0.193 0.450 82 N N -0.542 118.133 118.700 -0.041 0.000 2.037 82 N HA -0.460 nan 4.740 nan 0.000 0.196 82 N C 2.563 178.044 175.510 -0.048 0.000 1.034 82 N CA 3.133 56.163 53.050 -0.034 0.000 0.861 82 N CB -0.225 38.236 38.487 -0.043 0.000 1.039 82 N HN -0.121 8.224 8.380 -0.058 0.000 0.427 83 D N 0.067 120.422 120.400 -0.074 0.000 2.191 83 D HA -0.286 nan 4.640 nan 0.000 0.195 83 D C 0.764 177.039 176.300 -0.042 0.000 1.003 83 D CA 2.986 56.942 54.000 -0.073 0.000 0.867 83 D CB -0.202 40.544 40.800 -0.090 0.000 0.926 83 D HN -0.328 7.986 8.370 -0.094 0.000 0.450 84 A N -3.315 119.503 122.820 -0.004 0.000 1.993 84 A HA 0.126 nan 4.320 nan 0.000 0.207 84 A C 0.282 177.892 177.584 0.045 0.000 1.224 84 A CA 1.593 53.655 52.037 0.041 0.000 0.749 84 A CB 0.843 19.912 19.000 0.116 0.000 0.884 84 A HN -0.429 7.596 8.150 -0.011 0.119 0.467 85 A N -4.602 118.250 122.820 0.053 0.000 2.014 85 A HA 0.116 nan 4.320 nan 0.000 0.210 85 A C 0.544 178.144 177.584 0.027 0.000 1.188 85 A CA 0.946 53.012 52.037 0.050 0.000 0.731 85 A CB 0.917 19.960 19.000 0.072 0.000 0.858 85 A HN 0.324 8.508 8.150 0.056 0.000 0.464 86 G N -3.139 105.664 108.800 0.005 0.000 2.339 86 G HA2 -0.264 nan 3.960 nan 0.000 0.209 86 G HA3 -0.264 nan 3.960 nan 0.000 0.209 86 G C -1.677 173.223 174.900 -0.000 0.000 1.015 86 G CA 0.275 45.367 45.100 -0.014 0.000 0.635 86 G HN 0.169 8.346 8.290 0.004 0.115 0.499 87 D N -0.767 119.644 120.400 0.018 0.000 2.714 87 D HA 0.277 nan 4.640 nan 0.000 0.278 87 D C -0.590 175.728 176.300 0.030 0.000 1.102 87 D CA -1.861 52.152 54.000 0.021 0.000 1.108 87 D CB 2.026 42.843 40.800 0.029 0.000 1.444 87 D HN -0.630 7.668 8.370 0.027 0.089 0.568 88 G N -2.480 106.338 108.800 0.030 0.000 2.253 88 G HA2 -0.328 nan 3.960 nan 0.000 0.209 88 G HA3 -0.328 nan 3.960 nan 0.000 0.209 88 G C 0.816 175.736 174.900 0.034 0.000 0.997 88 G CA 0.696 45.822 45.100 0.044 0.000 0.640 88 G HN 0.380 8.685 8.290 0.025 0.000 0.496 89 T N 4.038 118.599 114.554 0.012 0.000 2.622 89 T HA -0.373 nan 4.350 nan 0.000 0.266 89 T C 1.687 176.393 174.700 0.010 0.000 1.047 89 T CA 5.316 67.416 62.100 -0.001 0.000 1.159 89 T CB -0.554 68.305 68.868 -0.015 0.000 0.863 89 T HN 0.449 8.693 8.240 0.008 0.000 0.422 90 T N 1.708 116.268 114.554 0.011 0.000 2.684 90 T HA -0.312 nan 4.350 nan 0.000 0.267 90 T C 1.946 176.656 174.700 0.017 0.000 1.036 90 T CA 4.676 66.784 62.100 0.012 0.000 1.148 90 T CB -0.813 68.062 68.868 0.011 0.000 0.863 90 T HN 0.464 8.710 8.240 0.010 0.000 0.436 91 T N 3.528 118.096 114.554 0.022 0.000 2.746 91 T HA -0.242 nan 4.350 nan 0.000 0.267 91 T C 1.412 176.132 174.700 0.033 0.000 1.039 91 T CA 4.589 66.705 62.100 0.026 0.000 1.142 91 T CB -0.855 68.031 68.868 0.030 0.000 0.866 91 T HN -0.128 8.125 8.240 0.022 0.000 0.444 92 A N 0.827 123.673 122.820 0.043 0.000 1.972 92 A HA -0.227 nan 4.320 nan 0.000 0.219 92 A C 2.021 179.630 177.584 0.043 0.000 1.169 92 A CA 3.168 55.240 52.037 0.059 0.000 0.635 92 A CB -0.839 18.208 19.000 0.079 0.000 0.810 92 A HN 0.482 8.454 8.150 0.040 0.202 0.446 93 T N 1.592 116.162 114.554 0.028 0.000 2.942 93 T HA -0.169 nan 4.350 nan 0.000 0.265 93 T C 2.244 176.956 174.700 0.019 0.000 1.062 93 T CA 4.260 66.372 62.100 0.020 0.000 1.139 93 T CB -0.263 68.613 68.868 0.013 0.000 0.883 93 T HN -0.147 7.987 8.240 0.024 0.121 0.468 94 V N 2.744 122.668 119.914 0.018 0.000 2.379 94 V HA -0.273 nan 4.120 nan 0.000 0.245 94 V C 1.635 177.738 176.094 0.016 0.000 1.044 94 V CA 4.389 66.698 62.300 0.014 0.000 1.036 94 V CB -0.886 30.944 31.823 0.012 0.000 0.664 94 V HN 0.015 8.125 8.190 0.020 0.092 0.453 95 L N -1.864 119.371 121.223 0.021 0.000 2.072 95 L HA -0.336 nan 4.340 nan 0.000 0.205 95 L C 1.837 178.722 176.870 0.024 0.000 1.079 95 L CA 3.328 58.181 54.840 0.022 0.000 0.752 95 L CB -0.821 41.254 42.059 0.026 0.000 0.906 95 L HN 0.415 8.659 8.230 0.025 0.000 0.436 96 A N -1.793 121.045 122.820 0.030 0.000 1.933 96 A HA -0.397 nan 4.320 nan 0.000 0.218 96 A C 1.796 179.394 177.584 0.023 0.000 1.175 96 A CA 3.234 55.290 52.037 0.031 0.000 0.628 96 A CB -1.027 17.995 19.000 0.037 0.000 0.814 96 A HN 0.070 8.129 8.150 0.034 0.112 0.444 97 Q N -0.747 119.064 119.800 0.019 0.000 2.079 97 Q HA -0.301 nan 4.340 nan 0.000 0.200 97 Q C 2.058 178.065 176.000 0.012 0.000 0.974 97 Q CA 2.988 58.800 55.803 0.015 0.000 0.840 97 Q CB -0.154 28.591 28.738 0.012 0.000 0.898 97 Q HN -0.371 7.826 8.270 0.020 0.085 0.430 98 A N 0.060 122.887 122.820 0.012 0.000 1.877 98 A HA -0.255 nan 4.320 nan 0.000 0.216 98 A C 2.187 179.777 177.584 0.009 0.000 1.186 98 A CA 3.042 55.085 52.037 0.009 0.000 0.620 98 A CB -0.799 18.206 19.000 0.008 0.000 0.822 98 A HN -0.281 7.793 8.150 0.013 0.084 0.443 99 I N -1.505 119.073 120.570 0.012 0.000 2.202 99 I HA -0.565 nan 4.170 nan 0.000 0.242 99 I C 2.028 178.152 176.117 0.012 0.000 1.091 99 I CA 4.258 65.565 61.300 0.012 0.000 1.368 99 I CB 0.032 38.040 38.000 0.014 0.000 1.058 99 I HN -0.165 8.054 8.210 0.014 0.000 0.410 100 I N -0.645 119.933 120.570 0.015 0.000 2.208 100 I HA -0.635 nan 4.170 nan 0.000 0.245 100 I C 2.031 178.155 176.117 0.011 0.000 1.097 100 I CA 4.743 66.051 61.300 0.015 0.000 1.363 100 I CB -0.500 37.510 38.000 0.017 0.000 1.051 100 I HN -0.155 8.065 8.210 0.016 0.000 0.413 101 T N 2.260 116.820 114.554 0.010 0.000 2.643 101 T HA -0.342 nan 4.350 nan 0.000 0.264 101 T C 2.364 177.068 174.700 0.006 0.000 1.045 101 T CA 4.947 67.052 62.100 0.008 0.000 1.155 101 T CB -0.537 68.335 68.868 0.007 0.000 0.863 101 T HN -0.159 8.087 8.240 0.011 0.000 0.420 102 E N -0.583 119.620 120.200 0.006 0.000 2.358 102 E HA -0.076 nan 4.350 nan 0.000 0.195 102 E C 2.554 179.158 176.600 0.006 0.000 1.010 102 E CA 1.569 57.972 56.400 0.005 0.000 0.856 102 E CB -0.568 29.134 29.700 0.004 0.000 0.795 102 E HN -0.528 7.836 8.360 0.006 0.000 0.504 103 G N 0.022 108.827 108.800 0.007 0.000 2.396 103 G HA2 -0.154 nan 3.960 nan 0.000 0.214 103 G HA3 -0.154 nan 3.960 nan 0.000 0.214 103 G C 1.009 175.914 174.900 0.008 0.000 1.166 103 G CA 1.651 46.756 45.100 0.008 0.000 0.793 103 G HN 0.306 8.475 8.290 0.008 0.126 0.533 104 L N 0.498 121.726 121.223 0.009 0.000 2.141 104 L HA -0.369 nan 4.340 nan 0.000 0.209 104 L C 1.931 178.805 176.870 0.006 0.000 1.094 104 L CA 2.506 57.351 54.840 0.008 0.000 0.763 104 L CB -0.310 41.754 42.059 0.008 0.000 0.908 104 L HN 0.219 8.344 8.230 0.009 0.110 0.437 105 K N -1.645 118.758 120.400 0.005 0.000 2.152 105 K HA -0.363 nan 4.320 nan 0.000 0.206 105 K C 2.196 178.798 176.600 0.003 0.000 1.048 105 K CA 3.200 59.489 56.287 0.004 0.000 0.933 105 K CB -0.390 32.112 32.500 0.003 0.000 0.721 105 K HN -0.596 7.640 8.250 0.005 0.017 0.447 106 A N -1.015 121.808 122.820 0.004 0.000 1.872 106 A HA -0.081 nan 4.320 nan 0.000 0.214 106 A C 2.103 179.689 177.584 0.005 0.000 1.187 106 A CA 2.659 54.699 52.037 0.004 0.000 0.614 106 A CB -0.622 18.381 19.000 0.004 0.000 0.826 106 A HN -0.714 7.418 8.150 0.005 0.021 0.442 107 V N -0.753 119.165 119.914 0.006 0.000 2.278 107 V HA -0.482 nan 4.120 nan 0.000 0.251 107 V C 2.600 178.698 176.094 0.006 0.000 1.062 107 V CA 3.884 66.189 62.300 0.007 0.000 1.038 107 V CB -1.287 30.542 31.823 0.010 0.000 0.646 107 V HN -0.568 7.626 8.190 0.007 0.000 0.447 108 A N -1.175 121.648 122.820 0.005 0.000 2.015 108 A HA -0.171 nan 4.320 nan 0.000 0.219 108 A C 0.707 178.292 177.584 0.002 0.000 1.163 108 A CA 2.666 54.705 52.037 0.003 0.000 0.646 108 A CB -0.643 18.358 19.000 0.002 0.000 0.806 108 A HN -0.158 7.991 8.150 0.005 0.004 0.448 109 A N -3.422 119.400 122.820 0.002 0.000 2.238 109 A HA 0.009 nan 4.320 nan 0.000 0.208 109 A C 0.111 177.696 177.584 0.001 0.000 1.177 109 A CA 0.081 52.119 52.037 0.001 0.000 0.804 109 A CB 0.264 19.265 19.000 0.001 0.000 0.823 109 A HN -0.193 7.801 8.150 0.003 0.158 0.482 110 G N -2.979 105.822 108.800 0.002 0.000 2.238 110 G HA2 -0.352 nan 3.960 nan 0.000 0.217 110 G HA3 -0.352 nan 3.960 nan 0.000 0.217 110 G C -0.013 174.889 174.900 0.003 0.000 0.996 110 G CA -0.258 44.844 45.100 0.002 0.000 0.632 110 G HN -0.288 7.810 8.290 0.003 0.194 0.503 111 M N 1.056 120.658 119.600 0.003 0.000 2.251 111 M HA -0.285 nan 4.480 nan 0.000 0.343 111 M C 0.007 176.310 176.300 0.005 0.000 1.245 111 M CA 0.892 56.194 55.300 0.004 0.000 1.061 111 M CB 0.336 32.938 32.600 0.004 0.000 1.723 111 M HN -0.651 7.641 8.290 0.003 0.000 0.449 112 N N 5.281 123.984 118.700 0.005 0.000 2.374 112 N HA -0.034 nan 4.740 nan 0.000 0.269 112 N C -0.914 174.601 175.510 0.008 0.000 1.310 112 N CA -0.265 52.789 53.050 0.006 0.000 0.877 112 N CB 0.434 38.924 38.487 0.005 0.000 1.096 112 N HN 0.104 8.862 8.380 0.004 -0.375 0.484 113 P HA -0.164 nan 4.420 nan 0.000 0.217 113 P C 1.209 178.516 177.300 0.011 0.000 1.150 113 P CA 2.462 65.569 63.100 0.011 0.000 0.832 113 P CB 0.330 32.039 31.700 0.015 0.000 0.787 114 M N -3.766 115.840 119.600 0.011 0.000 2.159 114 M HA -0.259 nan 4.480 nan 0.000 0.263 114 M C 2.320 178.625 176.300 0.008 0.000 1.063 114 M CA 1.554 56.860 55.300 0.010 0.000 1.110 114 M CB -1.618 30.988 32.600 0.009 0.000 1.374 114 M HN -0.289 8.140 8.290 0.010 -0.132 0.411 115 D N 0.508 120.912 120.400 0.007 0.000 2.194 115 D HA -0.078 nan 4.640 nan 0.000 0.204 115 D C 2.688 178.991 176.300 0.005 0.000 0.964 115 D CA 3.001 57.004 54.000 0.005 0.000 0.846 115 D CB -0.148 40.654 40.800 0.005 0.000 0.962 115 D HN -0.455 8.107 8.370 0.007 -0.188 0.490 116 L N -0.332 120.894 121.223 0.006 0.000 2.046 116 L HA -0.382 nan 4.340 nan 0.000 0.208 116 L C 1.734 178.608 176.870 0.006 0.000 1.077 116 L CA 3.239 58.083 54.840 0.006 0.000 0.747 116 L CB -0.128 41.936 42.059 0.007 0.000 0.896 116 L HN 0.385 8.438 8.230 0.007 0.182 0.432 117 K N -1.156 119.249 120.400 0.007 0.000 2.103 117 K HA -0.334 nan 4.320 nan 0.000 0.204 117 K C 2.203 178.806 176.600 0.005 0.000 1.052 117 K CA 3.197 59.488 56.287 0.007 0.000 0.945 117 K CB -0.259 32.247 32.500 0.010 0.000 0.722 117 K HN -0.050 8.203 8.250 0.008 0.002 0.443 118 R N -1.195 119.308 120.500 0.005 0.000 2.081 118 R HA -0.294 nan 4.340 nan 0.000 0.235 118 R C 2.587 178.888 176.300 0.002 0.000 1.131 118 R CA 3.295 59.397 56.100 0.003 0.000 0.960 118 R CB -0.090 30.213 30.300 0.004 0.000 0.856 118 R HN -0.268 7.920 8.270 0.006 0.085 0.436 119 G N -1.676 107.125 108.800 0.002 0.000 2.394 119 G HA2 -0.188 nan 3.960 nan 0.000 0.215 119 G HA3 -0.188 nan 3.960 nan 0.000 0.215 119 G C 0.953 175.853 174.900 0.001 0.000 1.165 119 G CA 1.575 46.676 45.100 0.002 0.000 0.784 119 G HN -0.232 8.060 8.290 0.003 0.000 0.535 120 I N 1.194 121.765 120.570 0.002 0.000 2.399 120 I HA -0.517 nan 4.170 nan 0.000 0.254 120 I C 0.797 176.913 176.117 -0.002 0.000 1.146 120 I CA 3.329 64.630 61.300 0.002 0.000 1.412 120 I CB -0.178 37.824 38.000 0.004 0.000 1.076 120 I HN -0.034 8.178 8.210 0.003 0.000 0.432 121 D N -2.600 117.799 120.400 -0.002 0.000 2.249 121 D HA 0.009 nan 4.640 nan 0.000 0.205 121 D C 1.762 178.057 176.300 -0.008 0.000 0.962 121 D CA 2.542 56.538 54.000 -0.006 0.000 0.860 121 D CB -0.383 40.414 40.800 -0.005 0.000 0.955 121 D HN -0.057 8.101 8.370 -0.000 0.212 0.505 122 K N 0.251 120.648 120.400 -0.005 0.000 2.031 122 K HA -0.143 nan 4.320 nan 0.000 0.205 122 K C 1.746 178.343 176.600 -0.005 0.000 1.049 122 K CA 2.448 58.732 56.287 -0.005 0.000 0.939 122 K CB 0.028 32.526 32.500 -0.002 0.000 0.717 122 K HN -0.638 7.489 8.250 -0.003 0.121 0.438 123 A N -1.860 120.957 122.820 -0.004 0.000 2.131 123 A HA -0.185 nan 4.320 nan 0.000 0.220 123 A C 2.432 180.012 177.584 -0.006 0.000 1.158 123 A CA 2.920 54.955 52.037 -0.003 0.000 0.665 123 A CB -0.804 18.195 19.000 -0.002 0.000 0.795 123 A HN -0.298 7.850 8.150 -0.003 0.000 0.460 124 V N -1.809 118.099 119.914 -0.010 0.000 2.273 124 V HA -0.379 nan 4.120 nan 0.000 0.242 124 V C 2.015 178.098 176.094 -0.018 0.000 1.035 124 V CA 4.609 66.899 62.300 -0.016 0.000 1.013 124 V CB -0.734 31.074 31.823 -0.024 0.000 0.652 124 V HN -0.215 7.924 8.190 -0.010 0.045 0.452 125 T N 2.253 116.797 114.554 -0.017 0.000 2.760 125 T HA -0.384 nan 4.350 nan 0.000 0.269 125 T C 1.940 176.633 174.700 -0.011 0.000 1.047 125 T CA 4.390 66.480 62.100 -0.016 0.000 1.139 125 T CB -0.546 68.314 68.868 -0.012 0.000 0.855 125 T HN -0.515 7.715 8.240 -0.017 0.000 0.471 126 V N 0.344 120.254 119.914 -0.008 0.000 2.302 126 V HA -0.277 nan 4.120 nan 0.000 0.243 126 V C 1.412 177.504 176.094 -0.004 0.000 1.036 126 V CA 3.895 66.193 62.300 -0.004 0.000 1.020 126 V CB -1.028 30.794 31.823 -0.002 0.000 0.657 126 V HN -0.369 7.793 8.190 -0.008 0.022 0.453 127 A N -0.308 122.509 122.820 -0.005 0.000 1.903 127 A HA -0.425 nan 4.320 nan 0.000 0.219 127 A C 1.881 179.462 177.584 -0.005 0.000 1.191 127 A CA 3.487 55.522 52.037 -0.003 0.000 0.638 127 A CB -1.014 17.983 19.000 -0.005 0.000 0.823 127 A HN -0.295 7.744 8.150 -0.006 0.107 0.451 128 V N -2.109 117.799 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.146 178.237 176.094 -0.005 0.000 1.055 128 V CA 4.879 67.172 62.300 -0.011 0.000 1.038 128 V CB -0.904 30.906 31.823 -0.021 0.000 0.651 128 V HN 0.366 8.547 8.190 -0.014 0.002 0.450 129 E N -1.731 118.466 120.200 -0.004 0.000 2.085 129 E HA -0.427 nan 4.350 nan 0.000 0.194 129 E C 2.666 179.268 176.600 0.002 0.000 0.994 129 E CA 3.085 59.484 56.400 -0.001 0.000 0.801 129 E CB -0.535 29.164 29.700 -0.000 0.000 0.743 129 E HN -0.411 7.860 8.360 -0.006 0.086 0.453 130 E N -1.219 118.983 120.200 0.003 0.000 2.015 130 E HA -0.199 nan 4.350 nan 0.000 0.191 130 E C 2.798 179.403 176.600 0.008 0.000 0.991 130 E CA 2.661 59.065 56.400 0.006 0.000 0.802 130 E CB 0.069 29.773 29.700 0.007 0.000 0.759 130 E HN -0.260 8.001 8.360 0.001 0.100 0.447 131 L N -4.511 116.716 121.223 0.007 0.000 2.353 131 L HA -0.206 nan 4.340 nan 0.000 0.220 131 L C 2.091 178.967 176.870 0.010 0.000 1.133 131 L CA 2.966 57.812 54.840 0.010 0.000 0.798 131 L CB -0.914 41.150 42.059 0.009 0.000 0.922 131 L HN 0.205 8.438 8.230 0.005 0.000 0.445 132 K N -1.640 118.765 120.400 0.007 0.000 2.305 132 K HA -0.154 nan 4.320 nan 0.000 0.199 132 K C 1.092 177.698 176.600 0.009 0.000 1.047 132 K CA 1.373 57.664 56.287 0.008 0.000 0.976 132 K CB -0.868 31.635 32.500 0.005 0.000 0.765 132 K HN -0.360 7.845 8.250 0.005 0.048 0.474 133 A N -1.213 121.613 122.820 0.010 0.000 1.975 133 A HA -0.062 nan 4.320 nan 0.000 0.215 133 A C 1.336 178.928 177.584 0.014 0.000 1.170 133 A CA 1.761 53.804 52.037 0.011 0.000 0.656 133 A CB 0.020 19.027 19.000 0.011 0.000 0.821 133 A HN -0.246 7.746 8.150 0.009 0.164 0.449 134 L N -2.700 118.532 121.223 0.016 0.000 2.376 134 L HA -0.079 nan 4.340 nan 0.000 0.219 134 L C 0.035 176.917 176.870 0.020 0.000 1.133 134 L CA 0.716 55.568 54.840 0.020 0.000 0.816 134 L CB 0.395 42.467 42.059 0.022 0.000 0.933 134 L HN -0.417 7.735 8.230 0.014 0.087 0.449 135 S N -2.229 113.481 115.700 0.017 0.000 2.572 135 S HA -0.073 nan 4.470 nan 0.000 0.279 135 S C -0.951 173.659 174.600 0.016 0.000 1.341 135 S CA 0.144 58.353 58.200 0.017 0.000 1.043 135 S CB 0.737 63.946 63.200 0.015 0.000 0.887 135 S HN -0.675 7.485 8.310 0.015 0.159 0.516 136 V N 6.992 126.916 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.090 175.013 176.094 0.014 0.000 1.021 136 V CA -3.660 58.650 62.300 0.016 0.000 0.847 136 V CB 0.615 32.448 31.823 0.017 0.000 0.990 136 V HN -0.048 8.153 8.190 0.017 0.000 0.444 137 P HA 0.038 nan 4.420 nan 0.000 0.273 137 P C -1.539 175.768 177.300 0.011 0.000 1.258 137 P CA 0.075 63.182 63.100 0.011 0.000 0.802 137 P CB 0.735 32.440 31.700 0.010 0.000 1.040 138 C N -1.422 117.884 119.300 0.010 0.000 3.384 138 C HA 0.278 nan 4.460 nan 0.000 0.294 138 C C 0.437 175.432 174.990 0.008 0.000 1.062 138 C CA -1.372 57.652 59.018 0.009 0.000 1.325 138 C CB -0.466 27.280 27.740 0.010 0.000 1.793 138 C HN 0.243 8.479 8.230 0.010 0.000 0.563 139 S N 6.197 121.901 115.700 0.007 0.000 2.583 139 S HA 0.073 nan 4.470 nan 0.000 0.203 139 S C -0.554 174.049 174.600 0.004 0.000 0.952 139 S CA 0.140 58.343 58.200 0.005 0.000 0.887 139 S CB 0.254 63.457 63.200 0.005 0.000 0.857 139 S HN -0.030 8.284 8.310 0.007 0.000 0.611 140 D N 1.938 122.340 120.400 0.004 0.000 2.515 140 D HA -0.109 nan 4.640 nan 0.000 0.230 140 D C 1.260 177.561 176.300 0.002 0.000 1.181 140 D CA 0.786 54.787 54.000 0.003 0.000 0.875 140 D CB 0.507 41.308 40.800 0.003 0.000 1.213 140 D HN -0.177 8.196 8.370 0.004 0.000 0.478 141 S N 3.162 118.862 115.700 0.001 0.000 2.374 141 S HA -0.442 nan 4.470 nan 0.000 0.227 141 S C 1.824 176.424 174.600 -0.000 0.000 1.037 141 S CA 3.710 61.910 58.200 -0.001 0.000 1.024 141 S CB 0.094 63.293 63.200 -0.001 0.000 0.861 141 S HN 0.544 8.854 8.310 0.001 0.000 0.456 142 K N -0.093 120.308 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.489 178.090 176.600 0.002 0.000 1.049 142 K CA 2.646 58.933 56.287 0.001 0.000 0.933 142 K CB -0.920 31.581 32.500 0.001 0.000 0.717 142 K HN -0.011 8.225 8.250 0.001 0.015 0.442 143 A N 0.295 123.116 122.820 0.003 0.000 1.828 143 A HA -0.224 nan 4.320 nan 0.000 0.215 143 A C 1.915 179.501 177.584 0.003 0.000 1.203 143 A CA 2.855 54.895 52.037 0.004 0.000 0.614 143 A CB -0.949 18.055 19.000 0.005 0.000 0.844 143 A HN -0.482 7.813 8.150 0.003 -0.144 0.445 144 I N -1.508 119.063 120.570 0.003 0.000 2.229 144 I HA -0.627 nan 4.170 nan 0.000 0.250 144 I C 2.073 178.190 176.117 -0.001 0.000 1.096 144 I CA 3.614 64.915 61.300 0.001 0.000 1.358 144 I CB -0.336 37.664 38.000 -0.000 0.000 1.047 144 I HN -0.248 7.964 8.210 0.003 0.000 0.422 145 A N -1.468 121.351 122.820 -0.001 0.000 1.854 145 A HA -0.339 nan 4.320 nan 0.000 0.214 145 A C 1.909 179.493 177.584 -0.001 0.000 1.192 145 A CA 3.208 55.243 52.037 -0.003 0.000 0.611 145 A CB -1.054 17.944 19.000 -0.003 0.000 0.832 145 A HN -0.076 7.970 8.150 -0.001 0.104 0.442 146 Q N -0.994 118.807 119.800 0.001 0.000 2.062 146 Q HA -0.369 nan 4.340 nan 0.000 0.209 146 Q C 2.509 178.511 176.000 0.003 0.000 0.996 146 Q CA 3.522 59.327 55.803 0.002 0.000 0.859 146 Q CB -0.108 28.633 28.738 0.004 0.000 0.920 146 Q HN 0.037 8.117 8.270 0.001 0.190 0.415 147 V N -1.987 117.929 119.914 0.004 0.000 2.453 147 V HA -0.301 nan 4.120 nan 0.000 0.247 147 V C 2.011 178.106 176.094 0.002 0.000 1.048 147 V CA 3.885 66.188 62.300 0.005 0.000 1.049 147 V CB -0.918 30.910 31.823 0.008 0.000 0.672 147 V HN -0.075 8.117 8.190 0.004 0.000 0.457 148 G N -1.270 107.528 108.800 -0.002 0.000 2.433 148 G HA2 -0.375 nan 3.960 nan 0.000 0.216 148 G HA3 -0.375 nan 3.960 nan 0.000 0.216 148 G C 0.842 175.737 174.900 -0.008 0.000 1.186 148 G CA 2.547 47.642 45.100 -0.008 0.000 0.779 148 G HN 0.234 8.335 8.290 -0.002 0.188 0.543 149 T N 1.816 116.366 114.554 -0.006 0.000 2.607 149 T HA -0.427 nan 4.350 nan 0.000 0.267 149 T C 2.510 177.208 174.700 -0.004 0.000 1.049 149 T CA 3.476 65.572 62.100 -0.006 0.000 1.162 149 T CB -0.651 68.214 68.868 -0.004 0.000 0.863 149 T HN -0.194 8.043 8.240 -0.005 0.000 0.424 150 I N 1.355 121.924 120.570 -0.001 0.000 2.113 150 I HA -0.645 nan 4.170 nan 0.000 0.242 150 I C 2.240 178.358 176.117 0.002 0.000 1.064 150 I CA 3.680 64.980 61.300 0.001 0.000 1.320 150 I CB -0.576 37.426 38.000 0.004 0.000 1.028 150 I HN -0.644 7.566 8.210 -0.000 0.000 0.406 151 S N -0.448 115.254 115.700 0.002 0.000 2.442 151 S HA -0.271 nan 4.470 nan 0.000 0.236 151 S C 0.181 174.781 174.600 -0.000 0.000 1.007 151 S CA 2.428 60.630 58.200 0.004 0.000 0.965 151 S CB -0.149 63.054 63.200 0.006 0.000 0.773 151 S HN -0.435 7.876 8.310 0.002 0.000 0.504 152 A N -1.485 121.332 122.820 -0.005 0.000 2.327 152 A HA 0.132 nan 4.320 nan 0.000 0.228 152 A C -0.971 176.610 177.584 -0.005 0.000 1.275 152 A CA -0.440 51.592 52.037 -0.008 0.000 0.875 152 A CB -0.476 18.517 19.000 -0.012 0.000 0.925 152 A HN -0.416 7.574 8.150 -0.005 0.157 0.493 153 N N -3.145 115.554 118.700 -0.002 0.000 2.741 153 N HA -0.382 nan 4.740 nan 0.000 0.251 153 N C -0.632 174.876 175.510 -0.003 0.000 1.112 153 N CA 1.093 54.142 53.050 -0.001 0.000 0.750 153 N CB -1.117 37.370 38.487 -0.001 0.000 1.119 153 N HN -0.059 8.099 8.380 -0.000 0.221 0.561 154 S N -4.905 110.793 115.700 -0.003 0.000 4.035 154 S HA -0.339 nan 4.470 nan 0.000 0.339 154 S C -1.608 172.989 174.600 -0.005 0.000 1.040 154 S CA 0.864 59.062 58.200 -0.004 0.000 0.972 154 S CB -0.623 62.575 63.200 -0.003 0.000 0.855 154 S HN 0.222 8.398 8.310 -0.003 0.132 0.496 155 D N 0.840 121.237 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.486 176.782 176.300 -0.007 0.000 1.137 155 D CA -2.253 51.743 54.000 -0.007 0.000 0.946 155 D CB 0.098 40.893 40.800 -0.008 0.000 1.022 155 D HN -0.722 7.644 8.370 -0.006 0.000 0.518 156 E N 3.904 124.100 120.200 -0.006 0.000 2.233 156 E HA -0.502 nan 4.350 nan 0.000 0.210 156 E C 1.758 178.353 176.600 -0.007 0.000 1.046 156 E CA 2.739 59.135 56.400 -0.006 0.000 0.844 156 E CB -0.743 28.954 29.700 -0.005 0.000 0.741 156 E HN 0.010 8.367 8.360 -0.005 0.000 0.465 157 T N 2.094 116.643 114.554 -0.008 0.000 2.555 157 T HA -0.341 nan 4.350 nan 0.000 0.264 157 T C 1.974 176.667 174.700 -0.012 0.000 1.083 157 T CA 3.320 65.415 62.100 -0.009 0.000 1.179 157 T CB -0.675 68.187 68.868 -0.010 0.000 0.863 157 T HN -0.617 7.725 8.240 -0.007 -0.106 0.412 158 V N 1.809 121.714 119.914 -0.014 0.000 2.277 158 V HA -0.486 nan 4.120 nan 0.000 0.253 158 V C 1.839 177.922 176.094 -0.018 0.000 1.067 158 V CA 3.810 66.099 62.300 -0.018 0.000 1.047 158 V CB -1.254 30.556 31.823 -0.021 0.000 0.649 158 V HN -0.293 8.038 8.190 -0.013 -0.149 0.447 159 G N -2.717 106.075 108.800 -0.014 0.000 2.491 159 G HA2 -0.470 nan 3.960 nan 0.000 0.218 159 G HA3 -0.470 nan 3.960 nan 0.000 0.218 159 G C 0.749 175.642 174.900 -0.012 0.000 1.180 159 G CA 2.393 47.486 45.100 -0.012 0.000 0.774 159 G HN -0.222 8.061 8.290 -0.012 0.000 0.562 160 K N 1.154 121.547 120.400 -0.011 0.000 2.218 160 K HA -0.366 nan 4.320 nan 0.000 0.205 160 K C 2.533 179.126 176.600 -0.012 0.000 1.046 160 K CA 2.664 58.946 56.287 -0.010 0.000 0.933 160 K CB -0.380 32.115 32.500 -0.008 0.000 0.728 160 K HN -0.410 7.837 8.250 -0.010 -0.003 0.454 161 L N -0.823 120.391 121.223 -0.015 0.000 2.068 161 L HA -0.286 nan 4.340 nan 0.000 0.204 161 L C 1.685 178.543 176.870 -0.020 0.000 1.076 161 L CA 2.885 57.715 54.840 -0.018 0.000 0.753 161 L CB 0.116 42.161 42.059 -0.022 0.000 0.910 161 L HN -0.382 7.674 8.230 -0.016 0.165 0.439 162 I N -0.940 119.617 120.570 -0.022 0.000 2.361 162 I HA -0.460 nan 4.170 nan 0.000 0.251 162 I C 2.183 178.291 176.117 -0.015 0.000 1.133 162 I CA 1.709 62.995 61.300 -0.023 0.000 1.413 162 I CB -1.893 36.092 38.000 -0.026 0.000 1.073 162 I HN -0.125 8.071 8.210 -0.023 0.000 0.424 163 A N -1.152 121.661 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.963 179.543 177.584 -0.008 0.000 1.169 163 A CA 3.450 55.482 52.037 -0.008 0.000 0.638 163 A CB -0.736 18.261 19.000 -0.006 0.000 0.812 163 A HN 0.097 8.219 8.150 -0.012 0.021 0.446 164 E N -0.511 119.684 120.200 -0.009 0.000 2.051 164 E HA -0.289 nan 4.350 nan 0.000 0.189 164 E C 2.262 178.856 176.600 -0.009 0.000 0.979 164 E CA 2.607 59.002 56.400 -0.008 0.000 0.803 164 E CB -0.165 29.530 29.700 -0.009 0.000 0.761 164 E HN -0.717 7.534 8.360 -0.011 0.103 0.451 165 A N 0.104 122.917 122.820 -0.012 0.000 1.849 165 A HA -0.309 nan 4.320 nan 0.000 0.217 165 A C 1.883 179.462 177.584 -0.008 0.000 1.202 165 A CA 3.191 55.221 52.037 -0.012 0.000 0.629 165 A CB -0.781 18.208 19.000 -0.018 0.000 0.834 165 A HN 0.543 8.685 8.150 -0.014 0.000 0.447 166 M N -2.820 116.776 119.600 -0.008 0.000 2.195 166 M HA -0.422 nan 4.480 nan 0.000 0.260 166 M C 1.570 177.868 176.300 -0.003 0.000 1.066 166 M CA 3.588 58.885 55.300 -0.004 0.000 1.089 166 M CB 0.130 32.727 32.600 -0.004 0.000 1.377 166 M HN -0.300 7.983 8.290 -0.011 0.000 0.411 167 D N -1.493 118.905 120.400 -0.004 0.000 2.162 167 D HA -0.188 nan 4.640 nan 0.000 0.205 167 D C 2.907 179.205 176.300 -0.003 0.000 0.964 167 D CA 2.902 56.900 54.000 -0.003 0.000 0.847 167 D CB 0.113 40.910 40.800 -0.004 0.000 0.988 167 D HN -0.410 7.735 8.370 -0.005 0.222 0.480 168 K N -0.389 120.008 120.400 -0.004 0.000 2.160 168 K HA -0.228 nan 4.320 nan 0.000 0.206 168 K C 0.819 177.418 176.600 -0.003 0.000 1.047 168 K CA 2.430 58.714 56.287 -0.004 0.000 0.930 168 K CB 0.602 33.099 32.500 -0.005 0.000 0.720 168 K HN 0.027 8.155 8.250 -0.005 0.120 0.450 169 V N -3.209 116.704 119.914 -0.003 0.000 3.187 169 V HA 0.234 nan 4.120 nan 0.000 0.402 169 V C -1.856 174.238 176.094 0.000 0.000 1.457 169 V CA -1.304 60.996 62.300 -0.001 0.000 1.409 169 V CB 0.245 32.068 31.823 -0.001 0.000 1.218 169 V HN -0.512 7.653 8.190 -0.003 0.024 0.595 170 G N -0.340 108.460 108.800 -0.000 0.000 2.733 170 G HA2 -0.262 nan 3.960 nan 0.000 0.686 170 G HA3 -0.262 nan 3.960 nan 0.000 0.686 170 G C -0.777 174.125 174.900 0.003 0.000 1.373 170 G CA -0.413 44.688 45.100 0.001 0.000 0.838 170 G HN -0.719 7.570 8.290 -0.001 0.000 0.588 171 K N 0.391 120.793 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.285 176.890 176.600 0.009 0.000 1.049 171 K CA 2.320 58.610 56.287 0.006 0.000 0.936 171 K CB 0.051 32.555 32.500 0.006 0.000 0.722 171 K HN 0.317 8.569 8.250 0.003 0.000 0.446 172 E N -2.446 117.759 120.200 0.009 0.000 2.663 172 E HA 0.152 nan 4.350 nan 0.000 0.240 172 E C -0.683 175.924 176.600 0.012 0.000 1.227 172 E CA -1.216 55.191 56.400 0.012 0.000 1.528 172 E CB -1.365 28.341 29.700 0.011 0.000 1.472 172 E HN -0.229 8.114 8.360 0.007 0.020 0.433 173 G N -1.499 107.308 108.800 0.011 0.000 2.597 173 G HA2 0.215 nan 3.960 nan 0.000 0.317 173 G HA3 0.215 nan 3.960 nan 0.000 0.317 173 G C -1.838 173.069 174.900 0.013 0.000 1.230 173 G CA -1.184 43.922 45.100 0.010 0.000 0.996 173 G HN -0.607 7.625 8.290 0.010 0.064 0.490 174 V N 1.843 121.764 119.914 0.012 0.000 2.223 174 V HA 0.274 nan 4.120 nan 0.000 0.249 174 V C -1.088 175.009 176.094 0.005 0.000 1.233 174 V CA -1.516 60.790 62.300 0.011 0.000 1.131 174 V CB -0.815 31.015 31.823 0.012 0.000 1.298 174 V HN 0.424 8.621 8.190 0.011 0.000 0.498 175 I N 8.560 129.133 120.570 0.004 0.000 2.532 175 I HA 0.387 nan 4.170 nan 0.000 0.292 175 I C -0.421 175.692 176.117 -0.007 0.000 1.014 175 I CA -0.100 61.197 61.300 -0.006 0.000 1.340 175 I CB 0.817 38.809 38.000 -0.013 0.000 1.422 175 I HN -0.505 7.711 8.210 0.010 0.000 0.528 176 T N 6.071 120.616 114.554 -0.014 0.000 2.907 176 T HA 0.360 nan 4.350 nan 0.000 0.292 176 T C -1.089 173.596 174.700 -0.026 0.000 1.043 176 T CA -1.033 61.059 62.100 -0.014 0.000 1.003 176 T CB 2.527 71.388 68.868 -0.010 0.000 1.084 176 T HN 0.215 8.445 8.240 -0.016 0.000 0.483 177 V N -0.415 119.483 119.914 -0.027 0.000 2.204 177 V HA 0.504 nan 4.120 nan 0.000 0.264 177 V C -0.933 175.150 176.094 -0.020 0.000 1.106 177 V CA -2.670 59.609 62.300 -0.034 0.000 0.947 177 V CB -1.393 30.395 31.823 -0.058 0.000 1.164 177 V HN 0.418 8.598 8.190 -0.016 0.000 0.461 178 E N 5.102 125.292 120.200 -0.016 0.000 2.313 178 E HA 0.046 nan 4.350 nan 0.000 0.276 178 E C -1.001 175.592 176.600 -0.011 0.000 1.031 178 E CA -0.097 56.296 56.400 -0.011 0.000 0.857 178 E CB 1.675 31.369 29.700 -0.009 0.000 1.040 178 E HN 0.044 8.394 8.360 -0.018 0.000 0.408 179 D N 2.762 123.157 120.400 -0.008 0.000 2.362 179 D HA -0.142 nan 4.640 nan 0.000 0.238 179 D C 0.285 176.581 176.300 -0.007 0.000 1.212 179 D CA 0.569 54.565 54.000 -0.007 0.000 0.902 179 D CB 1.727 42.525 40.800 -0.004 0.000 1.180 179 D HN 0.160 8.526 8.370 -0.006 0.000 0.445 180 G N -1.179 107.617 108.800 -0.007 0.000 2.653 180 G HA2 -0.073 nan 3.960 nan 0.000 0.265 180 G HA3 -0.073 nan 3.960 nan 0.000 0.265 180 G C -0.523 174.374 174.900 -0.005 0.000 1.237 180 G CA 0.036 45.132 45.100 -0.006 0.000 0.946 180 G HN 0.187 8.473 8.290 -0.007 0.000 0.522 181 T N -4.383 110.168 114.554 -0.004 0.000 3.105 181 T HA 0.233 nan 4.350 nan 0.000 0.257 181 T C 0.665 175.363 174.700 -0.003 0.000 0.949 181 T CA 0.338 62.436 62.100 -0.004 0.000 0.959 181 T CB 0.753 69.619 68.868 -0.003 0.000 1.205 181 T HN 0.491 8.728 8.240 -0.005 0.000 0.496 182 G N 1.528 110.326 108.800 -0.004 0.000 3.183 182 G HA2 0.443 nan 3.960 nan 0.000 0.247 182 G HA3 0.443 nan 3.960 nan 0.000 0.247 182 G C -1.268 173.630 174.900 -0.004 0.000 1.211 182 G CA -0.268 44.830 45.100 -0.004 0.000 0.835 182 G HN -0.643 7.644 8.290 -0.004 0.000 0.604 183 L N -0.477 120.744 121.223 -0.004 0.000 2.046 183 L HA 0.096 nan 4.340 nan 0.000 0.203 183 L C 0.429 177.296 176.870 -0.005 0.000 1.111 183 L CA 1.622 56.459 54.840 -0.004 0.000 0.769 183 L CB -0.159 41.897 42.059 -0.004 0.000 0.914 183 L HN -0.012 8.216 8.230 -0.004 0.000 0.448 184 Q N -1.026 118.771 119.800 -0.005 0.000 2.075 184 Q HA -0.301 nan 4.340 nan 0.000 0.464 184 Q C -0.313 175.683 176.000 -0.006 0.000 0.954 184 Q CA 2.342 58.141 55.803 -0.005 0.000 0.898 184 Q CB 0.128 28.863 28.738 -0.005 0.000 0.985 184 Q HN 0.019 8.286 8.270 -0.004 0.000 0.567 185 D N -4.384 116.012 120.400 -0.007 0.000 2.415 185 D HA 0.026 nan 4.640 nan 0.000 0.128 185 D C -1.728 174.567 176.300 -0.008 0.000 0.781 185 D CA -0.085 53.910 54.000 -0.008 0.000 1.249 185 D CB 1.161 41.955 40.800 -0.009 0.000 4.942 185 D HN -0.117 8.249 8.370 -0.006 0.000 0.685 186 E N 2.748 122.943 120.200 -0.009 0.000 2.235 186 E HA 0.480 nan 4.350 nan 0.000 0.265 186 E C -1.747 174.848 176.600 -0.010 0.000 0.940 186 E CA -2.317 54.078 56.400 -0.008 0.000 0.819 186 E CB 2.839 32.534 29.700 -0.007 0.000 1.206 186 E HN 0.396 8.654 8.360 -0.009 0.097 0.409 187 L N 0.914 122.132 121.223 -0.009 0.000 2.526 187 L HA 0.494 nan 4.340 nan 0.000 0.263 187 L C -2.173 174.692 176.870 -0.008 0.000 0.943 187 L CA -0.522 54.312 54.840 -0.010 0.000 0.859 187 L CB 3.025 45.078 42.059 -0.010 0.000 1.313 187 L HN -0.059 8.167 8.230 -0.008 0.000 0.406 188 D N 4.103 124.498 120.400 -0.008 0.000 2.878 188 D HA 0.033 nan 4.640 nan 0.000 0.211 188 D C -2.138 174.158 176.300 -0.006 0.000 1.271 188 D CA -0.665 53.331 54.000 -0.007 0.000 0.845 188 D CB 2.585 43.381 40.800 -0.006 0.000 1.679 188 D HN 0.426 8.791 8.370 -0.009 0.000 0.536 189 V N 2.290 122.201 119.914 -0.006 0.000 2.405 189 V HA 0.170 nan 4.120 nan 0.000 0.264 189 V C -0.638 175.454 176.094 -0.005 0.000 1.048 189 V CA 0.032 62.329 62.300 -0.005 0.000 0.966 189 V CB -0.643 31.178 31.823 -0.004 0.000 1.015 189 V HN 0.096 8.282 8.190 -0.005 0.000 0.477 190 V N 7.670 127.581 119.914 -0.004 0.000 2.864 190 V HA 0.462 nan 4.120 nan 0.000 0.314 190 V C -1.660 174.432 176.094 -0.003 0.000 1.073 190 V CA -2.619 59.678 62.300 -0.004 0.000 0.956 190 V CB 4.705 36.525 31.823 -0.005 0.000 1.023 190 V HN -0.232 7.955 8.190 -0.004 0.000 0.435 191 E N 5.287 125.485 120.200 -0.004 0.000 2.585 191 E HA -0.180 nan 4.350 nan 0.000 0.252 191 E C -0.947 175.654 176.600 0.001 0.000 0.981 191 E CA 1.272 57.670 56.400 -0.003 0.000 0.943 191 E CB 0.341 30.037 29.700 -0.007 0.000 0.923 191 E HN 0.396 8.753 8.360 -0.005 0.000 0.486 192 G N 2.342 111.146 108.800 0.007 0.000 2.495 192 G HA2 0.406 nan 3.960 nan 0.000 0.294 192 G HA3 0.406 nan 3.960 nan 0.000 0.294 192 G C -2.935 171.983 174.900 0.031 0.000 1.397 192 G CA 0.173 45.282 45.100 0.015 0.000 0.790 192 G HN -0.066 8.228 8.290 0.007 0.000 0.486 193 M N -0.476 119.155 119.600 0.053 0.000 2.818 193 M HA 0.152 nan 4.480 nan 0.000 0.207 193 M C -2.102 174.273 176.300 0.125 0.000 1.874 193 M CA 0.331 55.689 55.300 0.096 0.000 1.238 193 M CB 2.698 35.389 32.600 0.151 0.000 1.287 193 M HN 0.152 8.468 8.290 0.043 0.000 0.592 194 Q N -2.978 116.897 119.800 0.125 0.000 3.135 194 Q HA -0.355 nan 4.340 nan 0.000 0.048 194 Q C -1.755 174.366 176.000 0.201 0.000 1.656 194 Q CA 1.041 56.877 55.803 0.055 0.000 0.292 194 Q CB -0.703 28.043 28.738 0.014 0.000 0.586 194 Q HN -0.610 7.787 8.270 0.109 -0.062 0.322 195 F N 1.319 121.263 119.950 -0.010 0.000 2.741 195 F HA 0.400 nan 4.527 nan 0.000 0.313 195 F C -1.636 174.161 175.800 -0.005 0.000 1.153 195 F CA -1.795 56.201 58.000 -0.007 0.000 0.931 195 F CB 2.391 41.389 39.000 -0.004 0.000 1.335 195 F HN 0.273 8.319 8.300 -0.422 0.000 0.460 196 D N 0.577 121.129 120.400 0.253 0.000 2.941 196 D HA -0.114 nan 4.640 nan 0.000 0.236 196 D C -0.992 175.411 176.300 0.172 0.000 1.147 196 D CA 1.270 55.354 54.000 0.140 0.000 0.975 196 D CB -1.512 39.360 40.800 0.120 0.000 1.162 196 D HN 0.170 8.716 8.370 0.294 0.000 0.444 197 R N -0.200 120.374 120.500 0.123 0.000 2.422 197 R HA 0.254 nan 4.340 nan 0.000 0.307 197 R C -0.948 175.369 176.300 0.028 0.000 1.004 197 R CA -2.028 54.163 56.100 0.152 0.000 0.882 197 R CB 1.400 31.931 30.300 0.386 0.000 1.164 197 R HN -0.521 7.645 8.270 -0.063 0.066 0.489 198 G N 1.662 110.501 108.800 0.065 0.000 2.569 198 G HA2 -0.163 nan 3.960 nan 0.000 0.249 198 G HA3 -0.163 nan 3.960 nan 0.000 0.249 198 G C -0.671 174.375 174.900 0.243 0.000 1.216 198 G CA -0.696 44.446 45.100 0.070 0.000 0.845 198 G HN 0.138 8.484 8.290 0.093 0.000 0.568 199 Y N -1.587 118.770 120.300 0.095 0.000 2.702 199 Y HA -0.152 nan 4.550 nan 0.000 0.336 199 Y C 0.147 176.240 175.900 0.321 0.000 1.235 199 Y CA -2.249 55.984 58.100 0.222 0.000 1.492 199 Y CB -0.463 38.170 38.460 0.288 0.000 1.308 199 Y HN -0.753 7.410 8.280 -0.005 0.114 0.589 200 L N 1.084 122.683 121.223 0.628 0.000 2.191 200 L HA -0.123 nan 4.340 nan 0.000 0.212 200 L C 0.135 176.958 176.870 -0.080 0.000 1.103 200 L CA 1.333 56.345 54.840 0.287 0.000 0.769 200 L CB -0.543 41.699 42.059 0.306 0.000 0.908 200 L HN 0.100 8.794 8.230 0.774 0.000 0.438 201 S N -5.372 110.103 115.700 -0.374 0.000 2.548 201 S HA 0.379 nan 4.470 nan 0.000 0.286 201 S C -1.603 172.497 174.600 -0.834 0.000 1.098 201 S CA -3.204 54.595 58.200 -0.667 0.000 0.930 201 S CB 1.871 64.511 63.200 -0.933 0.000 1.070 201 S HN -0.696 7.588 8.310 0.005 0.029 0.480 202 P HA -0.167 nan 4.420 nan 0.000 0.215 202 P C 0.879 178.027 177.300 -0.252 0.000 1.157 202 P CA 2.053 64.767 63.100 -0.644 0.000 0.863 202 P CB -0.024 31.489 31.700 -0.312 0.000 0.787 203 Y N -4.955 115.165 120.300 -0.300 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.207 177.089 175.900 -0.030 0.000 1.159 203 Y CA 0.481 58.490 58.100 -0.150 0.000 1.297 203 Y CB -1.355 37.003 38.460 -0.171 0.000 0.974 203 Y HN 0.093 8.229 8.280 -0.239 0.000 0.557 204 F N -1.709 118.226 119.950 -0.026 0.000 2.373 204 F HA -0.235 nan 4.527 nan 0.000 0.300 204 F C 0.899 176.793 175.800 0.157 0.000 1.080 204 F CA 1.206 59.236 58.000 0.050 0.000 1.417 204 F CB -0.077 38.953 39.000 0.050 0.000 1.070 204 F HN -0.699 7.298 8.300 -0.160 0.208 0.546 205 I N -0.316 120.476 120.570 0.370 0.000 2.978 205 I HA -0.374 nan 4.170 nan 0.000 0.293 205 I C -0.583 175.645 176.117 0.184 0.000 1.218 205 I CA 0.371 61.851 61.300 0.300 0.000 1.393 205 I CB -1.202 36.943 38.000 0.242 0.000 1.394 205 I HN -0.420 7.797 8.210 0.284 0.164 0.541 206 N N 8.968 127.756 118.700 0.146 0.000 0.000 206 N HA 0.043 nan 4.740 nan 0.000 0.000 206 N C -0.671 174.877 175.510 0.063 0.000 0.000 206 N CA 0.418 53.519 53.050 0.085 0.000 0.000 206 N CB 1.189 39.708 38.487 0.054 0.000 0.000 206 N HN 0.091 8.566 8.380 0.158 0.000 0.000 207 K N -1.654 nan 120.400 nan 0.000 0.000 207 K HA 0.464 4.782 4.320 -0.004 0.000 0.000 207 K C -2.343 nan 176.600 nan 0.000 0.000 207 K CA -0.718 55.586 56.287 0.028 0.000 0.000 207 K CB -1.195 nan 32.500 nan 0.000 0.000 207 K HN 0.303 nan 8.250 nan 0.000 0.000 208 P HA 1.081 5.499 4.420 -0.004 0.000 0.000 208 P C -1.343 nan 177.300 nan 0.000 0.000 208 P CA 1.441 64.560 63.100 0.031 0.000 0.000 208 P CB 0.167 nan 31.700 nan 0.000 0.000 209 E N -2.939 nan 120.200 nan 0.000 0.000 209 E HA 1.030 5.378 4.350 -0.004 0.000 0.000 209 E C -0.009 nan 176.600 nan 0.000 0.000 209 E CA 1.024 57.453 56.400 0.049 0.000 0.000 209 E CB -0.143 nan 29.700 nan 0.000 0.000 209 E HN 2.672 nan 8.360 nan 0.000 0.000 210 T N -1.268 nan 114.554 nan 0.000 0.000 210 T HA 0.339 4.687 4.350 -0.004 0.000 0.000 210 T C -1.295 nan 174.700 nan 0.000 0.000 210 T CA 0.312 62.426 62.100 0.024 0.000 0.000 210 T CB 0.471 nan 68.868 nan 0.000 0.000 210 T HN 0.247 nan 8.240 nan 0.000 0.000 211 G N 0.751 109.578 108.800 0.046 0.000 0.000 211 G HA2 0.020 3.977 3.960 -0.004 0.000 0.000 211 G HA3 0.020 3.977 3.960 -0.004 0.000 0.000 211 G C -2.695 172.195 174.900 -0.016 0.000 0.000 211 G CA 1.146 46.282 45.100 0.059 0.000 0.000 211 G HN 0.378 8.704 8.290 0.059 0.000 0.000 212 A N -0.786 122.036 122.820 0.004 0.000 2.427 212 A HA 0.511 nan 4.320 nan 0.000 0.298 212 A C -0.254 177.337 177.584 0.011 0.000 1.036 212 A CA -0.488 51.521 52.037 -0.047 0.000 0.701 212 A CB 2.521 21.487 19.000 -0.057 0.000 1.250 212 A HN -0.702 7.471 8.150 0.038 0.000 0.412 213 V N -1.583 118.337 119.914 0.009 0.000 3.292 213 V HA 0.138 nan 4.120 nan 0.000 0.372 213 V C -0.859 175.230 176.094 -0.008 0.000 1.249 213 V CA -1.433 60.889 62.300 0.036 0.000 1.378 213 V CB -1.533 30.326 31.823 0.061 0.000 1.245 213 V HN 0.294 8.455 8.190 -0.048 0.000 0.467 214 E N 0.220 120.412 120.200 -0.014 0.000 2.637 214 E HA -0.366 nan 4.350 nan 0.000 0.231 214 E C -0.462 176.130 176.600 -0.012 0.000 1.226 214 E CA 0.878 57.267 56.400 -0.019 0.000 0.950 214 E CB -1.541 28.152 29.700 -0.012 0.000 1.049 214 E HN -0.526 7.722 8.360 -0.009 0.106 0.494 215 L N 4.385 125.597 121.223 -0.019 0.000 2.375 215 L HA 0.162 nan 4.340 nan 0.000 0.271 215 L C -0.099 176.769 176.870 -0.003 0.000 1.107 215 L CA -0.744 54.089 54.840 -0.011 0.000 0.806 215 L CB 1.360 43.408 42.059 -0.018 0.000 1.146 215 L HN -0.415 7.796 8.230 -0.031 0.000 0.447 216 E N 1.740 121.942 120.200 0.004 0.000 2.248 216 E HA 0.221 nan 4.350 nan 0.000 0.272 216 E C -0.894 175.720 176.600 0.023 0.000 1.008 216 E CA -0.940 55.466 56.400 0.010 0.000 0.856 216 E CB 1.576 31.281 29.700 0.009 0.000 1.120 216 E HN 0.166 8.528 8.360 0.004 0.000 0.397 217 S N 1.450 117.170 115.700 0.034 0.000 4.285 217 S HA -0.320 nan 4.470 nan 0.000 0.181 217 S C -1.829 172.831 174.600 0.099 0.000 0.439 217 S CA 1.029 59.267 58.200 0.063 0.000 1.314 217 S CB -0.874 62.364 63.200 0.063 0.000 1.972 217 S HN -0.157 8.168 8.310 0.025 0.000 0.313 218 P HA 0.550 nan 4.420 nan 0.000 0.332 218 P C -2.056 175.475 177.300 0.384 0.000 1.256 218 P CA -1.464 61.741 63.100 0.175 0.000 0.819 218 P CB 2.007 33.759 31.700 0.088 0.000 1.377 219 F N -2.239 117.707 119.950 -0.007 0.000 2.612 219 F HA 0.203 nan 4.527 nan 0.000 0.332 219 F C -1.763 174.037 175.800 0.001 0.000 1.167 219 F CA -1.433 56.567 58.000 -0.001 0.000 0.970 219 F CB 2.678 41.679 39.000 0.001 0.000 1.234 219 F HN -0.104 8.369 8.300 0.288 0.000 0.453 220 I N 3.475 124.103 120.570 0.097 0.000 2.337 220 I HA 0.207 nan 4.170 nan 0.000 0.291 220 I C -1.244 174.915 176.117 0.070 0.000 1.046 220 I CA -1.973 59.371 61.300 0.073 0.000 1.324 220 I CB -0.825 37.201 38.000 0.043 0.000 1.409 220 I HN -0.070 8.040 8.210 0.007 0.104 0.494 221 L N 8.818 130.091 121.223 0.083 0.000 2.307 221 L HA 0.473 nan 4.340 nan 0.000 0.282 221 L C -2.584 174.322 176.870 0.059 0.000 1.051 221 L CA -1.322 53.562 54.840 0.073 0.000 0.804 221 L CB 2.524 44.631 42.059 0.081 0.000 1.197 221 L HN 0.643 8.806 8.230 0.085 0.118 0.431 222 L N 5.429 126.680 121.223 0.046 0.000 2.341 222 L HA 0.587 nan 4.340 nan 0.000 0.278 222 L C -1.780 175.111 176.870 0.036 0.000 1.005 222 L CA -1.021 53.842 54.840 0.039 0.000 0.818 222 L CB 2.282 44.355 42.059 0.024 0.000 1.259 222 L HN -0.015 8.240 8.230 0.042 0.000 0.418 223 A N 2.008 124.851 122.820 0.038 0.000 2.359 223 A HA 0.435 nan 4.320 nan 0.000 0.303 223 A C -2.224 175.379 177.584 0.032 0.000 1.066 223 A CA -1.430 50.628 52.037 0.035 0.000 0.730 223 A CB 2.936 21.961 19.000 0.042 0.000 1.211 223 A HN 0.313 8.488 8.150 0.043 0.000 0.439 224 D N 2.933 123.349 120.400 0.026 0.000 0.000 224 D HA 0.257 nan 4.640 nan 0.000 0.000 224 D C 0.391 176.709 176.300 0.029 0.000 0.000 224 D CA 0.311 54.327 54.000 0.025 0.000 0.000 224 D CB 1.763 42.575 40.800 0.019 0.000 0.000 224 D HN 0.195 8.580 8.370 0.024 0.000 0.000 225 K N -1.901 nan 120.400 nan 0.000 0.000 225 K HA 0.697 5.015 4.320 -0.004 0.000 0.000 225 K C -0.832 nan 176.600 nan 0.000 0.000 225 K CA -0.051 56.257 56.287 0.034 0.000 0.000 225 K CB 0.076 nan 32.500 nan 0.000 0.000 225 K HN 0.664 nan 8.250 nan 0.000 0.000 226 K N -1.860 nan 120.400 nan 0.000 0.000 226 K HA 1.123 5.441 4.320 -0.004 0.000 0.000 226 K C -0.471 nan 176.600 nan 0.000 0.000 226 K CA 0.453 56.763 56.287 0.038 0.000 0.000 226 K CB -0.686 nan 32.500 nan 0.000 0.000 226 K HN 2.653 nan 8.250 nan 0.000 0.000 227 I N -2.750 nan 120.570 nan 0.000 0.000 227 I HA 0.986 5.154 4.170 -0.004 0.000 0.000 227 I C 0.182 nan 176.117 nan 0.000 0.000 227 I CA 0.607 61.933 61.300 0.044 0.000 0.000 227 I CB 0.225 nan 38.000 nan 0.000 0.000 227 I HN 2.757 nan 8.210 nan 0.000 0.000 228 S N -0.617 nan 115.700 nan 0.000 0.000 228 S HA 1.263 5.731 4.470 -0.004 0.000 0.000 228 S C -0.341 nan 174.600 nan 0.000 0.000 228 S CA 0.589 58.803 58.200 0.024 0.000 0.000 228 S CB -0.052 nan 63.200 nan 0.000 0.000 228 S HN 3.179 nan 8.310 nan 0.000 0.000 229 N N -1.843 nan 118.700 nan 0.000 0.000 229 N HA 1.093 5.831 4.740 -0.004 0.000 0.000 229 N C -0.273 nan 175.510 nan 0.000 0.000 229 N CA 0.463 53.524 53.050 0.019 0.000 0.000 229 N CB -0.437 nan 38.487 nan 0.000 0.000 229 N HN 2.695 nan 8.380 nan 0.000 0.000 230 I N -4.182 nan 120.570 nan 0.000 0.000 230 I HA 1.153 5.320 4.170 -0.004 0.000 0.000 230 I C 0.100 nan 176.117 nan 0.000 0.000 230 I CA 0.693 62.006 61.300 0.021 0.000 0.000 230 I CB 0.285 nan 38.000 nan 0.000 0.000 230 I HN 2.759 nan 8.210 nan 0.000 0.000 231 R N -0.132 nan 120.500 nan 0.000 0.000 231 R HA 1.252 5.590 4.340 -0.004 0.000 0.000 231 R C -0.177 nan 176.300 nan 0.000 0.000 231 R CA 1.205 57.312 56.100 0.013 0.000 0.000 231 R CB -0.745 nan 30.300 nan 0.000 0.000 231 R HN 3.121 nan 8.270 nan 0.000 0.000 232 E N -2.637 nan 120.200 nan 0.000 0.000 232 E HA 1.030 5.378 4.350 -0.004 0.000 0.000 232 E C -0.148 nan 176.600 nan 0.000 0.000 232 E CA 0.402 56.812 56.400 0.016 0.000 0.000 232 E CB -0.392 nan 29.700 nan 0.000 0.000 232 E HN 2.788 nan 8.360 nan 0.000 0.000 233 M N -1.797 nan 119.600 nan 0.000 0.000 233 M HA 1.128 5.606 4.480 -0.004 0.000 0.000 233 M C -0.581 nan 176.300 nan 0.000 0.000 233 M CA 0.578 55.894 55.300 0.026 0.000 0.000 233 M CB -0.626 nan 32.600 nan 0.000 0.000 233 M HN 2.846 nan 8.290 nan 0.000 0.000 234 L N -2.678 nan 121.223 nan 0.000 0.000 234 L HA 1.199 5.537 4.340 -0.004 0.000 0.000 234 L C -1.169 nan 176.870 nan 0.000 0.000 234 L CA -0.035 54.814 54.840 0.015 0.000 0.000 234 L CB -0.717 nan 42.059 nan 0.000 0.000 234 L HN 3.256 nan 8.230 nan 0.000 0.000 235 P HA 1.245 5.663 4.420 -0.004 0.000 0.000 235 P C -1.157 nan 177.300 nan 0.000 0.000 235 P CA 0.514 63.619 63.100 0.009 0.000 0.000 235 P CB 0.342 nan 31.700 nan 0.000 0.000 236 V N -2.995 nan 119.914 nan 0.000 0.000 236 V HA 1.145 5.263 4.120 -0.004 0.000 0.000 236 V C -0.218 nan 176.094 nan 0.000 0.000 236 V CA 0.368 62.679 62.300 0.018 0.000 0.000 236 V CB 0.295 nan 31.823 nan 0.000 0.000 236 V HN 2.717 nan 8.190 nan 0.000 0.000 237 L N -2.126 nan 121.223 nan 0.000 0.000 237 L HA 1.371 5.708 4.340 -0.004 0.000 0.000 237 L C -0.339 nan 176.870 nan 0.000 0.000 237 L CA 0.858 55.692 54.840 -0.010 0.000 0.000 237 L CB 0.229 nan 42.059 nan 0.000 0.000 237 L HN 3.139 nan 8.230 nan 0.000 0.000 238 E N -1.316 nan 120.200 nan 0.000 0.000 238 E HA 1.181 5.529 4.350 -0.004 0.000 0.000 238 E C -0.249 nan 176.600 nan 0.000 0.000 238 E CA 0.346 56.730 56.400 -0.026 0.000 0.000 238 E CB 0.241 nan 29.700 nan 0.000 0.000 238 E HN 3.050 nan 8.360 nan 0.000 0.000 239 A N -1.965 nan 122.820 nan 0.000 0.000 239 A HA 1.220 5.538 4.320 -0.004 0.000 0.000 239 A C -0.711 nan 177.584 nan 0.000 0.000 239 A CA 0.477 52.459 52.037 -0.091 0.000 0.000 239 A CB -0.244 nan 19.000 nan 0.000 0.000 239 A HN 2.571 nan 8.150 nan 0.000 0.000 240 V N -3.081 nan 119.914 nan 0.000 0.000 240 V HA 1.068 5.186 4.120 -0.004 0.000 0.000 240 V C -0.239 nan 176.094 nan 0.000 0.000 240 V CA 0.145 62.317 62.300 -0.214 0.000 0.000 240 V CB 0.406 nan 31.823 nan 0.000 0.000 240 V HN 2.958 nan 8.190 nan 0.000 0.000 241 A N -0.680 nan 122.820 nan 0.000 0.000 241 A HA 1.323 5.641 4.320 -0.004 0.000 0.000 241 A C -0.426 nan 177.584 nan 0.000 0.000 241 A CA 0.862 52.852 52.037 -0.079 0.000 0.000 241 A CB 0.639 nan 19.000 nan 0.000 0.000 241 A HN 3.220 nan 8.150 nan 0.000 0.000 242 K N -1.591 nan 120.400 nan 0.000 0.000 242 K HA 1.115 5.433 4.320 -0.004 0.000 0.000 242 K C -0.362 nan 176.600 nan 0.000 0.000 242 K CA 0.504 56.742 56.287 -0.082 0.000 0.000 242 K CB -0.003 nan 32.500 nan 0.000 0.000 242 K HN 2.852 nan 8.250 nan 0.000 0.000 243 A N -1.658 nan 122.820 nan 0.000 0.000 243 A HA 0.968 5.286 4.320 -0.004 0.000 0.000 243 A C 0.123 nan 177.584 nan 0.000 0.000 243 A CA 0.488 52.483 52.037 -0.069 0.000 0.000 243 A CB 0.227 nan 19.000 nan 0.000 0.000 243 A HN 2.593 nan 8.150 nan 0.000 0.000 244 G N -2.454 nan 108.800 nan 0.000 0.000 244 G HA2 0.931 4.889 3.960 -0.004 0.000 0.000 244 G HA3 0.931 4.889 3.960 -0.004 0.000 0.000 244 G C -0.811 nan 174.900 nan 0.000 0.000 244 G CA 1.055 46.057 45.100 -0.163 0.000 0.000 244 G HN 2.451 nan 8.290 nan 0.000 0.000 245 K N -2.496 nan 120.400 nan 0.000 0.000 245 K HA 1.124 5.442 4.320 -0.004 0.000 0.000 245 K C -2.100 nan 176.600 nan 0.000 0.000 245 K CA 0.656 56.903 56.287 -0.068 0.000 0.000 245 K CB 0.408 nan 32.500 nan 0.000 0.000 245 K HN 2.807 nan 8.250 nan 0.000 0.000 246 P HA 0.968 5.386 4.420 -0.004 0.000 0.000 246 P C -2.375 nan 177.300 nan 0.000 0.000 246 P CA 0.162 63.251 63.100 -0.019 0.000 0.000 246 P CB 0.426 nan 31.700 nan 0.000 0.000 247 L N -0.862 120.353 121.223 -0.012 0.000 0.000 247 L HA 0.436 4.774 4.340 -0.004 0.000 0.000 247 L C -2.567 174.304 176.870 0.001 0.000 0.000 247 L CA 0.472 55.314 54.840 0.004 0.000 0.000 247 L CB 2.156 44.212 42.059 -0.004 0.000 0.000 247 L HN -0.008 8.209 8.230 -0.021 0.000 0.000 248 L N 2.599 123.842 121.223 0.033 0.000 2.476 248 L HA 0.429 nan 4.340 nan 0.000 0.269 248 L C -1.969 174.924 176.870 0.038 0.000 0.965 248 L CA -0.207 54.642 54.840 0.015 0.000 0.845 248 L CB 3.099 45.180 42.059 0.037 0.000 1.259 248 L HN 0.215 8.485 8.230 0.067 0.000 0.403 249 I N 5.513 126.097 120.570 0.023 0.000 2.433 249 I HA 0.607 nan 4.170 nan 0.000 0.292 249 I C -1.632 174.526 176.117 0.068 0.000 1.001 249 I CA -0.682 60.650 61.300 0.055 0.000 1.119 249 I CB 2.480 40.521 38.000 0.068 0.000 1.289 249 I HN 0.285 8.485 8.210 -0.017 0.000 0.438 250 I N 7.860 128.480 120.570 0.084 0.000 2.560 250 I HA 0.459 nan 4.170 nan 0.000 0.278 250 I C -2.631 173.537 176.117 0.085 0.000 1.089 250 I CA -1.277 60.089 61.300 0.110 0.000 1.086 250 I CB 1.094 39.176 38.000 0.136 0.000 1.202 250 I HN 0.220 8.475 8.210 0.075 0.000 0.471 251 A N 5.933 128.805 122.820 0.088 0.000 2.552 251 A HA 0.739 nan 4.320 nan 0.000 0.288 251 A C -1.948 175.680 177.584 0.072 0.000 1.193 251 A CA -1.759 50.319 52.037 0.069 0.000 0.713 251 A CB 3.347 22.386 19.000 0.064 0.000 1.305 251 A HN 0.044 8.256 8.150 0.104 0.000 0.424 252 E N -0.070 120.166 120.200 0.060 0.000 2.418 252 E HA -0.257 nan 4.350 nan 0.000 0.261 252 E C -0.669 175.969 176.600 0.063 0.000 1.070 252 E CA 0.083 56.519 56.400 0.060 0.000 0.931 252 E CB 0.913 30.644 29.700 0.050 0.000 0.954 252 E HN -0.104 8.287 8.360 0.052 0.000 0.439 253 D N 2.169 122.606 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.677 175.655 176.300 0.054 0.000 1.546 253 D CA 0.840 54.874 54.000 0.058 0.000 1.189 253 D CB -0.760 40.064 40.800 0.041 0.000 1.515 253 D HN 0.143 8.549 8.370 0.061 0.000 0.872 254 V N 3.150 123.106 119.914 0.070 0.000 0.000 254 V HA -0.135 nan 4.120 nan 0.000 0.000 254 V C 0.933 177.057 176.094 0.050 0.000 0.000 254 V CA 0.973 63.314 62.300 0.068 0.000 0.000 254 V CB 0.446 32.326 31.823 0.096 0.000 0.000 254 V HN 0.193 8.429 8.190 0.084 0.005 0.000 255 E N -1.006 nan 120.200 nan 0.000 0.000 255 E HA 0.660 5.008 4.350 -0.004 0.000 0.000 255 E C -0.428 nan 176.600 nan 0.000 0.000 255 E CA -0.208 56.202 56.400 0.017 0.000 0.000 255 E CB 0.959 nan 29.700 nan 0.000 0.000 255 E HN 1.311 nan 8.360 nan 0.000 0.000 256 G N -2.478 nan 108.800 nan 0.000 0.000 256 G HA2 0.985 4.943 3.960 -0.004 0.000 0.000 256 G HA3 0.985 4.943 3.960 -0.004 0.000 0.000 256 G C -0.371 nan 174.900 nan 0.000 0.000 256 G CA 1.330 46.419 45.100 -0.018 0.000 0.000 256 G HN 1.973 nan 8.290 nan 0.000 0.000 257 E N -2.348 nan 120.200 nan 0.000 0.000 257 E HA 1.019 5.367 4.350 -0.004 0.000 0.000 257 E C -0.453 nan 176.600 nan 0.000 0.000 257 E CA 0.387 56.782 56.400 -0.008 0.000 0.000 257 E CB 0.479 nan 29.700 nan 0.000 0.000 257 E HN 2.657 nan 8.360 nan 0.000 0.000 258 A N -2.247 nan 122.820 nan 0.000 0.000 258 A HA 1.228 5.546 4.320 -0.004 0.000 0.000 258 A C -0.826 nan 177.584 nan 0.000 0.000 258 A CA 0.563 52.603 52.037 0.005 0.000 0.000 258 A CB -0.496 nan 19.000 nan 0.000 0.000 258 A HN 2.645 nan 8.150 nan 0.000 0.000 259 L N -2.949 nan 121.223 nan 0.000 0.000 259 L HA 1.121 5.458 4.340 -0.004 0.000 0.000 259 L C -0.103 nan 176.870 nan 0.000 0.000 259 L CA 0.167 55.027 54.840 0.033 0.000 0.000 259 L CB -0.173 nan 42.059 nan 0.000 0.000 259 L HN 3.030 nan 8.230 nan 0.000 0.000 260 A N -1.561 nan 122.820 nan 0.000 0.000 260 A HA 1.311 5.629 4.320 -0.004 0.000 0.000 260 A C 0.003 nan 177.584 nan 0.000 0.000 260 A CA 0.818 52.852 52.037 -0.005 0.000 0.000 260 A CB 0.208 nan 19.000 nan 0.000 0.000 260 A HN 3.543 nan 8.150 nan 0.000 0.000 261 T N -1.951 nan 114.554 nan 0.000 0.000 261 T HA 1.042 5.390 4.350 -0.004 0.000 0.000 261 T C -0.290 nan 174.700 nan 0.000 0.000 261 T CA 0.606 62.674 62.100 -0.053 0.000 0.000 261 T CB -0.167 nan 68.868 nan 0.000 0.000 261 T HN 2.771 nan 8.240 nan 0.000 0.000 262 A N -1.474 nan 122.820 nan 0.000 0.000 262 A HA 1.260 5.578 4.320 -0.004 0.000 0.000 262 A C -0.878 nan 177.584 nan 0.000 0.000 262 A CA 0.350 52.391 52.037 0.007 0.000 0.000 262 A CB -0.262 nan 19.000 nan 0.000 0.000 262 A HN 2.822 nan 8.150 nan 0.000 0.000 263 V N -2.856 nan 119.914 nan 0.000 0.000 263 V HA 1.064 5.182 4.120 -0.004 0.000 0.000 263 V C -0.148 nan 176.094 nan 0.000 0.000 263 V CA 0.105 62.447 62.300 0.071 0.000 0.000 263 V CB 0.389 nan 31.823 nan 0.000 0.000 263 V HN 2.817 nan 8.190 nan 0.000 0.000 264 V N -2.046 nan 119.914 nan 0.000 0.000 264 V HA 1.227 5.345 4.120 -0.004 0.000 0.000 264 V C -0.480 nan 176.094 nan 0.000 0.000 264 V CA 0.435 62.713 62.300 -0.038 0.000 0.000 264 V CB 0.729 nan 31.823 nan 0.000 0.000 264 V HN 3.088 nan 8.190 nan 0.000 0.000 265 N N -1.712 nan 118.700 nan 0.000 0.000 265 N HA 1.183 5.921 4.740 -0.004 0.000 0.000 265 N C -0.078 nan 175.510 nan 0.000 0.000 265 N CA 1.087 54.152 53.050 0.026 0.000 0.000 265 N CB 0.835 nan 38.487 nan 0.000 0.000 265 N HN 3.056 nan 8.380 nan 0.000 0.000 266 T N -3.677 nan 114.554 nan 0.000 0.000 266 T HA 1.038 5.385 4.350 -0.004 0.000 0.000 266 T C 0.129 nan 174.700 nan 0.000 0.000 266 T CA 1.061 63.172 62.100 0.019 0.000 0.000 266 T CB -0.999 nan 68.868 nan 0.000 0.000 266 T HN 2.865 nan 8.240 nan 0.000 0.000 267 M N -1.648 nan 119.600 nan 0.000 0.000 267 M HA 1.209 5.687 4.480 -0.004 0.000 0.000 267 M C -0.380 nan 176.300 nan 0.000 0.000 267 M CA 0.851 56.178 55.300 0.046 0.000 0.000 267 M CB -0.162 nan 32.600 nan 0.000 0.000 267 M HN 3.065 nan 8.290 nan 0.000 0.000 268 R N -0.892 nan 120.500 nan 0.000 0.000 268 R HA 1.016 5.354 4.340 -0.004 0.000 0.000 268 R C 0.356 nan 176.300 nan 0.000 0.000 268 R CA 0.239 56.338 56.100 -0.000 0.000 0.000 268 R CB -0.151 nan 30.300 nan 0.000 0.000 268 R HN 3.106 nan 8.270 nan 0.000 0.000 269 G N -2.041 nan 108.800 nan 0.000 0.000 269 G HA2 0.967 4.925 3.960 -0.004 0.000 0.000 269 G HA3 0.967 4.925 3.960 -0.004 0.000 0.000 269 G C -0.745 nan 174.900 nan 0.000 0.000 269 G CA 0.542 45.641 45.100 -0.001 0.000 0.000 269 G HN 2.513 nan 8.290 nan 0.000 0.000 270 I N -2.661 nan 120.570 nan 0.000 0.000 270 I HA 1.088 5.256 4.170 -0.004 0.000 0.000 270 I C -0.226 nan 176.117 nan 0.000 0.000 270 I CA -0.188 61.113 61.300 0.002 0.000 0.000 270 I CB 0.690 nan 38.000 nan 0.000 0.000 270 I HN 2.640 nan 8.210 nan 0.000 0.000 271 V N -2.023 nan 119.914 nan 0.000 0.000 271 V HA 1.279 5.397 4.120 -0.004 0.000 0.000 271 V C -0.492 nan 176.094 nan 0.000 0.000 271 V CA 0.377 62.673 62.300 -0.006 0.000 0.000 271 V CB 0.550 nan 31.823 nan 0.000 0.000 271 V HN 3.088 nan 8.190 nan 0.000 0.000 272 K N -1.289 nan 120.400 nan 0.000 0.000 272 K HA 1.265 5.583 4.320 -0.004 0.000 0.000 272 K C -0.357 nan 176.600 nan 0.000 0.000 272 K CA 0.538 56.827 56.287 0.003 0.000 0.000 272 K CB 0.261 nan 32.500 nan 0.000 0.000 272 K HN 2.843 nan 8.250 nan 0.000 0.000 273 V N -2.770 nan 119.914 nan 0.000 0.000 273 V HA 0.978 5.096 4.120 -0.004 0.000 0.000 273 V C -0.319 nan 176.094 nan 0.000 0.000 273 V CA 0.181 62.477 62.300 -0.007 0.000 0.000 273 V CB 0.404 nan 31.823 nan 0.000 0.000 273 V HN 2.848 nan 8.190 nan 0.000 0.000 274 A N -0.725 nan 122.820 nan 0.000 0.000 274 A HA 1.319 5.637 4.320 -0.004 0.000 0.000 274 A C -0.433 nan 177.584 nan 0.000 0.000 274 A CA 0.316 52.014 52.037 -0.565 0.000 0.000 274 A CB 0.376 nan 19.000 nan 0.000 0.000 274 A HN 3.197 nan 8.150 nan 0.000 0.000 275 A N -1.438 nan 122.820 nan 0.000 0.000 275 A HA 0.750 5.068 4.320 -0.004 0.000 0.000 275 A C -1.676 nan 177.584 nan 0.000 0.000 275 A CA -0.218 51.721 52.037 -0.163 0.000 0.000 275 A CB 0.758 nan 19.000 nan 0.000 0.000 275 A HN 0.371 nan 8.150 nan 0.000 0.000 276 V N -4.961 115.007 119.914 0.089 0.000 0.000 276 V HA 0.315 4.433 4.120 -0.004 0.000 0.000 276 V C -2.004 174.191 176.094 0.169 0.000 0.000 276 V CA 0.087 62.477 62.300 0.150 0.000 0.000 276 V CB 1.818 33.703 31.823 0.104 0.000 0.000 276 V HN 0.715 8.947 8.190 0.070 0.000 0.000 277 K N 0.583 121.099 120.400 0.192 0.000 2.238 277 K HA 0.471 nan 4.320 nan 0.000 0.239 277 K C -0.960 175.746 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.120 35.706 32.500 0.144 0.000 1.154 277 K HN 0.196 8.573 8.250 0.212 0.000 0.439 278 A N 2.185 125.065 122.820 0.100 0.000 2.425 278 A HA 0.204 nan 4.320 nan 0.000 0.242 278 A C -2.256 175.324 177.584 -0.008 0.000 1.077 278 A CA -1.700 50.346 52.037 0.016 0.000 0.781 278 A CB -0.666 18.335 19.000 0.001 0.000 1.020 278 A HN 0.289 8.379 8.150 0.090 0.114 0.494 279 P HA 0.070 nan 4.420 nan 0.000 0.286 279 P C -0.349 176.914 177.300 -0.061 0.000 1.261 279 P CA 0.055 63.079 63.100 -0.127 0.000 0.821 279 P CB 1.105 32.579 31.700 -0.376 0.000 1.013 280 G N 2.475 111.285 108.800 0.016 0.000 2.601 280 G HA2 -0.338 nan 3.960 nan 0.000 0.261 280 G HA3 -0.338 nan 3.960 nan 0.000 0.261 280 G C -2.186 172.795 174.900 0.135 0.000 1.289 280 G CA 0.249 45.359 45.100 0.017 0.000 0.920 280 G HN 0.153 8.475 8.290 0.053 0.000 0.571 281 F N -4.382 115.565 119.950 -0.005 0.000 2.831 281 F HA 0.248 nan 4.527 nan 0.000 0.318 281 F C -1.350 174.453 175.800 0.005 0.000 1.174 281 F CA -2.253 55.748 58.000 0.002 0.000 0.918 281 F CB 1.405 40.412 39.000 0.012 0.000 1.364 281 F HN -0.307 7.712 8.300 -0.470 0.000 0.475 282 G N -0.410 108.588 108.800 0.330 0.000 2.566 282 G HA2 -0.576 nan 3.960 nan 0.000 0.280 282 G HA3 -0.576 nan 3.960 nan 0.000 0.280 282 G C 0.235 175.156 174.900 0.034 0.000 1.225 282 G CA 1.040 46.250 45.100 0.183 0.000 0.966 282 G HN 0.190 8.724 8.290 0.408 0.000 0.560 283 D N 2.140 122.537 120.400 -0.006 0.000 2.265 283 D HA -0.222 nan 4.640 nan 0.000 0.208 283 D C 2.026 178.289 176.300 -0.063 0.000 0.977 283 D CA 3.140 57.125 54.000 -0.025 0.000 0.871 283 D CB -0.099 40.689 40.800 -0.021 0.000 0.925 283 D HN 0.094 8.467 8.370 0.005 0.000 0.485 284 R N -0.407 120.021 120.500 -0.121 0.000 2.092 284 R HA -0.323 nan 4.340 nan 0.000 0.226 284 R C 1.549 177.782 176.300 -0.113 0.000 1.140 284 R CA 4.194 60.203 56.100 -0.153 0.000 0.910 284 R CB 0.135 30.273 30.300 -0.269 0.000 0.822 284 R HN -0.314 7.811 8.270 -0.155 0.051 0.433 285 R N -1.833 118.613 120.500 -0.089 0.000 2.154 285 R HA -0.339 nan 4.340 nan 0.000 0.248 285 R C 2.400 178.668 176.300 -0.053 0.000 1.155 285 R CA 2.837 58.900 56.100 -0.061 0.000 0.979 285 R CB -0.817 29.487 30.300 0.006 0.000 0.869 285 R HN 0.310 8.481 8.270 -0.094 0.043 0.452 286 K N -0.773 119.607 120.400 -0.033 0.000 1.985 286 K HA -0.304 nan 4.320 nan 0.000 0.210 286 K C 2.331 178.908 176.600 -0.039 0.000 1.047 286 K CA 2.878 59.151 56.287 -0.024 0.000 0.932 286 K CB -0.371 32.123 32.500 -0.010 0.000 0.716 286 K HN -0.736 7.472 8.250 -0.027 0.025 0.439 287 A N -0.939 121.851 122.820 -0.049 0.000 1.865 287 A HA -0.272 nan 4.320 nan 0.000 0.217 287 A C 2.429 179.972 177.584 -0.068 0.000 1.191 287 A CA 2.873 54.878 52.037 -0.053 0.000 0.623 287 A CB -0.739 18.227 19.000 -0.056 0.000 0.826 287 A HN -0.211 7.908 8.150 -0.051 0.000 0.444 288 M N -3.146 116.396 119.600 -0.096 0.000 2.260 288 M HA -0.397 nan 4.480 nan 0.000 0.261 288 M C 2.070 178.298 176.300 -0.120 0.000 1.066 288 M CA 3.862 59.084 55.300 -0.130 0.000 1.082 288 M CB -0.325 32.156 32.600 -0.198 0.000 1.388 288 M HN -0.246 7.984 8.290 -0.100 0.000 0.419 289 L N -2.657 118.513 121.223 -0.089 0.000 2.109 289 L HA -0.315 nan 4.340 nan 0.000 0.207 289 L C 2.120 178.967 176.870 -0.039 0.000 1.086 289 L CA 2.698 57.503 54.840 -0.060 0.000 0.760 289 L CB -0.533 41.505 42.059 -0.035 0.000 0.910 289 L HN -0.539 7.500 8.230 -0.080 0.143 0.437 290 Q N -0.843 118.934 119.800 -0.037 0.000 2.378 290 Q HA -0.243 nan 4.340 nan 0.000 0.205 290 Q C 2.208 178.190 176.000 -0.031 0.000 0.954 290 Q CA 2.775 58.562 55.803 -0.027 0.000 0.901 290 Q CB -0.270 28.454 28.738 -0.023 0.000 0.981 290 Q HN -0.149 7.991 8.270 -0.043 0.104 0.483 291 D N 1.798 122.172 120.400 -0.042 0.000 2.113 291 D HA -0.162 nan 4.640 nan 0.000 0.206 291 D C 2.214 178.495 176.300 -0.031 0.000 0.979 291 D CA 3.303 57.279 54.000 -0.040 0.000 0.862 291 D CB -0.204 40.562 40.800 -0.055 0.000 1.013 291 D HN 0.032 8.216 8.370 -0.053 0.154 0.455 292 I N 0.209 120.757 120.570 -0.037 0.000 2.229 292 I HA -0.593 nan 4.170 nan 0.000 0.250 292 I C 1.627 177.741 176.117 -0.004 0.000 1.096 292 I CA 3.729 65.024 61.300 -0.008 0.000 1.358 292 I CB -0.429 37.569 38.000 -0.004 0.000 1.047 292 I HN 0.145 8.214 8.210 -0.062 0.104 0.422 293 A N -1.347 121.464 122.820 -0.014 0.000 1.841 293 A HA -0.385 nan 4.320 nan 0.000 0.216 293 A C 1.497 179.068 177.584 -0.021 0.000 1.199 293 A CA 3.668 55.696 52.037 -0.015 0.000 0.621 293 A CB -1.022 17.969 19.000 -0.015 0.000 0.835 293 A HN -0.028 7.931 8.150 -0.021 0.178 0.445 294 T N -2.097 112.444 114.554 -0.021 0.000 2.822 294 T HA -0.357 nan 4.350 nan 0.000 0.270 294 T C 1.508 176.195 174.700 -0.022 0.000 1.064 294 T CA 2.948 65.035 62.100 -0.022 0.000 1.131 294 T CB -0.583 68.273 68.868 -0.020 0.000 0.858 294 T HN -0.270 7.789 8.240 -0.021 0.169 0.483 295 L N 0.405 121.617 121.223 -0.017 0.000 1.973 295 L HA -0.121 nan 4.340 nan 0.000 0.208 295 L C 1.249 178.107 176.870 -0.020 0.000 1.073 295 L CA 2.205 57.038 54.840 -0.012 0.000 0.746 295 L CB -0.282 41.778 42.059 0.003 0.000 0.891 295 L HN -0.023 8.066 8.230 -0.015 0.132 0.433 296 T N -2.781 111.760 114.554 -0.022 0.000 3.160 296 T HA -0.047 nan 4.350 nan 0.000 0.257 296 T C 0.903 175.558 174.700 -0.075 0.000 1.147 296 T CA 2.155 64.230 62.100 -0.043 0.000 1.064 296 T CB -0.209 68.640 68.868 -0.032 0.000 0.949 296 T HN 0.318 8.444 8.240 -0.013 0.106 0.526 297 G N -1.453 107.310 108.800 -0.061 0.000 2.307 297 G HA2 -0.343 nan 3.960 nan 0.000 0.210 297 G HA3 -0.343 nan 3.960 nan 0.000 0.210 297 G C 0.047 174.912 174.900 -0.057 0.000 1.005 297 G CA -0.022 45.035 45.100 -0.072 0.000 0.634 297 G HN -0.013 8.075 8.290 -0.043 0.176 0.496 298 G N 0.781 109.551 108.800 -0.049 0.000 2.699 298 G HA2 -0.534 nan 3.960 nan 0.000 0.351 298 G HA3 -0.534 nan 3.960 nan 0.000 0.351 298 G C 0.728 175.612 174.900 -0.027 0.000 1.191 298 G CA 1.453 46.535 45.100 -0.031 0.000 0.953 298 G HN -0.271 7.895 8.290 -0.053 0.092 0.557 299 T N -3.927 110.615 114.554 -0.019 0.000 12.380 299 T HA -0.403 nan 4.350 nan 0.000 0.415 299 T C 0.623 175.321 174.700 -0.002 0.000 1.471 299 T CA 1.706 63.800 62.100 -0.012 0.000 2.420 299 T CB -0.829 68.031 68.868 -0.013 0.000 2.818 299 T HN 0.249 8.477 8.240 -0.020 0.000 0.798 300 V N 3.866 123.781 119.914 0.001 0.000 2.924 300 V HA -0.053 nan 4.120 nan 0.000 0.305 300 V C -0.260 175.839 176.094 0.008 0.000 1.073 300 V CA 1.616 63.923 62.300 0.011 0.000 1.098 300 V CB 0.605 32.440 31.823 0.020 0.000 1.000 300 V HN 0.051 8.162 8.190 -0.003 0.077 0.484 301 I N -4.031 116.547 120.570 0.013 0.000 3.331 301 I HA -0.032 nan 4.170 nan 0.000 0.380 301 I C -0.052 176.074 176.117 0.016 0.000 0.924 301 I CA -0.268 61.039 61.300 0.011 0.000 0.991 301 I CB -0.806 37.197 38.000 0.004 0.000 3.277 301 I HN 0.076 8.296 8.210 0.017 0.000 0.916 302 S N 0.974 116.686 115.700 0.020 0.000 0.000 302 S HA -0.329 nan 4.470 nan 0.000 0.000 302 S C 0.833 175.446 174.600 0.021 0.000 0.000 302 S CA 1.580 59.793 58.200 0.023 0.000 0.000 302 S CB 0.340 63.557 63.200 0.029 0.000 0.000 302 S HN -0.031 8.292 8.310 0.022 0.000 0.000 303 E N -1.078 nan 120.200 nan 0.000 0.000 303 E HA 0.691 5.039 4.350 -0.004 0.000 0.000 303 E C -1.135 nan 176.600 nan 0.000 0.000 303 E CA -0.133 56.281 56.400 0.022 0.000 0.000 303 E CB 0.534 nan 29.700 nan 0.000 0.000 303 E HN 0.707 nan 8.360 nan 0.000 0.000 304 E N -2.402 nan 120.200 nan 0.000 0.000 304 E HA 1.076 5.424 4.350 -0.004 0.000 0.000 304 E C -0.112 nan 176.600 nan 0.000 0.000 304 E CA 0.266 56.674 56.400 0.013 0.000 0.000 304 E CB -0.585 nan 29.700 nan 0.000 0.000 304 E HN 2.555 nan 8.360 nan 0.000 0.000 305 I N -2.592 nan 120.570 nan 0.000 0.000 305 I HA 0.927 5.095 4.170 -0.004 0.000 0.000 305 I C 0.456 nan 176.117 nan 0.000 0.000 305 I CA 0.424 61.733 61.300 0.015 0.000 0.000 305 I CB 0.911 nan 38.000 nan 0.000 0.000 305 I HN 2.362 nan 8.210 nan 0.000 0.000 306 G N -1.302 nan 108.800 nan 0.000 0.000 306 G HA2 1.061 5.019 3.960 -0.004 0.000 0.000 306 G HA3 1.061 5.019 3.960 -0.004 0.000 0.000 306 G C -0.786 nan 174.900 nan 0.000 0.000 306 G CA 0.757 45.863 45.100 0.010 0.000 0.000 306 G HN 3.247 nan 8.290 nan 0.000 0.000 307 M N -2.506 nan 119.600 nan 0.000 0.000 307 M HA 1.158 5.636 4.480 -0.004 0.000 0.000 307 M C -0.399 nan 176.300 nan 0.000 0.000 307 M CA 1.124 56.430 55.300 0.009 0.000 0.000 307 M CB 0.227 nan 32.600 nan 0.000 0.000 307 M HN 3.031 nan 8.290 nan 0.000 0.000 308 E N -1.942 nan 120.200 nan 0.000 0.000 308 E HA 1.175 5.522 4.350 -0.004 0.000 0.000 308 E C -0.782 nan 176.600 nan 0.000 0.000 308 E CA 0.154 56.562 56.400 0.013 0.000 0.000 308 E CB -0.544 nan 29.700 nan 0.000 0.000 308 E HN 3.066 nan 8.360 nan 0.000 0.000 309 L N -3.435 nan 121.223 nan 0.000 0.000 309 L HA 1.140 5.477 4.340 -0.004 0.000 0.000 309 L C 0.040 nan 176.870 nan 0.000 0.000 309 L CA 0.811 55.660 54.840 0.016 0.000 0.000 309 L CB 0.058 nan 42.059 nan 0.000 0.000 309 L HN 2.716 nan 8.230 nan 0.000 0.000 310 E N -1.642 nan 120.200 nan 0.000 0.000 310 E HA 1.161 5.509 4.350 -0.004 0.000 0.000 310 E C -0.280 nan 176.600 nan 0.000 0.000 310 E CA 0.715 57.129 56.400 0.022 0.000 0.000 310 E CB 0.273 nan 29.700 nan 0.000 0.000 310 E HN 3.021 nan 8.360 nan 0.000 0.000 311 K N -1.807 nan 120.400 nan 0.000 0.000 311 K HA 1.106 5.424 4.320 -0.004 0.000 0.000 311 K C -0.470 nan 176.600 nan 0.000 0.000 311 K CA 0.501 56.801 56.287 0.021 0.000 0.000 311 K CB 0.218 nan 32.500 nan 0.000 0.000 311 K HN 2.515 nan 8.250 nan 0.000 0.000 312 A N -1.770 nan 122.820 nan 0.000 0.000 312 A HA 1.162 5.480 4.320 -0.004 0.000 0.000 312 A C 0.194 nan 177.584 nan 0.000 0.000 312 A CA 1.067 53.113 52.037 0.016 0.000 0.000 312 A CB -0.035 nan 19.000 nan 0.000 0.000 312 A HN 2.895 nan 8.150 nan 0.000 0.000 313 T N -2.681 nan 114.554 nan 0.000 0.000 313 T HA 0.995 5.343 4.350 -0.004 0.000 0.000 313 T C -0.309 nan 174.700 nan 0.000 0.000 313 T CA 0.555 62.668 62.100 0.022 0.000 0.000 313 T CB -0.652 nan 68.868 nan 0.000 0.000 313 T HN 2.731 nan 8.240 nan 0.000 0.000 314 L N -1.210 nan 121.223 nan 0.000 0.000 314 L HA 0.979 5.317 4.340 -0.004 0.000 0.000 314 L C -0.070 nan 176.870 nan 0.000 0.000 314 L CA 0.549 55.408 54.840 0.032 0.000 0.000 314 L CB 0.514 nan 42.059 nan 0.000 0.000 314 L HN 1.357 nan 8.230 nan 0.000 0.000 315 E N -1.647 118.585 120.200 0.054 0.000 0.000 315 E HA 0.025 4.373 4.350 -0.004 0.000 0.000 315 E C -0.422 176.246 176.600 0.113 0.000 0.000 315 E CA 1.202 57.653 56.400 0.085 0.000 0.000 315 E CB 0.387 30.138 29.700 0.084 0.000 0.000 315 E HN 0.944 9.332 8.360 0.047 0.000 0.000 316 D N 0.189 120.640 120.400 0.085 0.000 3.965 316 D HA -0.394 nan 4.640 nan 0.000 0.448 316 D C 0.191 176.527 176.300 0.059 0.000 0.565 316 D CA 1.232 55.268 54.000 0.060 0.000 1.052 316 D CB -0.799 40.019 40.800 0.031 0.000 0.319 316 D HN 0.176 8.588 8.370 0.070 0.000 0.258 317 L N -2.847 118.398 121.223 0.037 0.000 5.621 317 L HA -0.448 nan 4.340 nan 0.000 0.281 317 L C -0.884 175.910 176.870 -0.127 0.000 1.106 317 L CA 0.623 55.465 54.840 0.003 0.000 1.259 317 L CB -0.389 41.752 42.059 0.137 0.000 2.049 317 L HN 0.169 8.421 8.230 0.037 0.000 0.852 318 G N -4.982 103.712 108.800 -0.178 0.000 2.600 318 G HA2 0.479 nan 3.960 nan 0.000 0.303 318 G HA3 0.479 nan 3.960 nan 0.000 0.303 318 G C -1.009 173.634 174.900 -0.429 0.000 1.253 318 G CA -0.554 44.408 45.100 -0.230 0.000 0.974 318 G HN -0.482 7.747 8.290 -0.102 0.000 0.483 319 Q N 0.421 119.999 119.800 -0.370 0.000 2.596 319 Q HA 0.011 nan 4.340 nan 0.000 0.190 319 Q C -0.383 175.553 176.000 -0.107 0.000 0.905 319 Q CA -0.427 55.146 55.803 -0.383 0.000 0.846 319 Q CB 1.577 30.105 28.738 -0.351 0.000 1.117 319 Q HN 0.654 8.776 8.270 -0.246 0.000 0.630 320 A N -1.775 121.001 122.820 -0.074 0.000 2.435 320 A HA -0.265 nan 4.320 nan 0.000 0.686 320 A C -0.943 176.643 177.584 0.003 0.000 0.138 320 A CA 0.240 52.263 52.037 -0.024 0.000 0.024 320 A CB -0.174 18.821 19.000 -0.009 0.000 3.974 320 A HN -0.527 7.565 8.150 -0.097 0.000 0.548 321 K N 1.614 122.015 120.400 0.002 0.000 2.031 321 K HA -0.318 nan 4.320 nan 0.000 0.205 321 K C -1.384 175.223 176.600 0.012 0.000 1.049 321 K CA 1.938 58.231 56.287 0.010 0.000 0.939 321 K CB 0.911 33.413 32.500 0.003 0.000 0.717 321 K HN 0.021 8.400 8.250 -0.005 -0.131 0.438 322 R N -6.927 113.575 120.500 0.003 0.000 2.710 322 R HA 0.527 nan 4.340 nan 0.000 0.270 322 R C -2.030 174.261 176.300 -0.015 0.000 1.021 322 R CA -0.895 55.203 56.100 -0.003 0.000 0.889 322 R CB 4.420 34.716 30.300 -0.007 0.000 1.243 322 R HN -0.877 7.393 8.270 -0.001 0.000 0.464 323 V N -0.353 119.545 119.914 -0.026 0.000 2.962 323 V HA 0.480 nan 4.120 nan 0.000 0.313 323 V C -1.277 174.781 176.094 -0.059 0.000 1.099 323 V CA -1.127 61.143 62.300 -0.050 0.000 0.971 323 V CB 3.716 35.508 31.823 -0.053 0.000 1.028 323 V HN 0.196 8.373 8.190 -0.021 0.000 0.430 324 V N 1.415 121.277 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.290 175.730 176.094 -0.124 0.000 1.400 324 V CA -0.853 61.398 62.300 -0.083 0.000 1.170 324 V CB -0.109 31.677 31.823 -0.062 0.000 1.169 324 V HN 0.213 8.337 8.190 -0.109 0.000 0.554 325 I N 1.046 121.525 120.570 -0.152 0.000 3.331 325 I HA -0.296 nan 4.170 nan 0.000 0.305 325 I C -0.764 175.180 176.117 -0.289 0.000 1.229 325 I CA 1.518 62.695 61.300 -0.205 0.000 1.406 325 I CB -0.004 37.903 38.000 -0.155 0.000 1.310 325 I HN -0.292 7.837 8.210 -0.136 0.000 0.579 326 N N 1.413 119.839 118.700 -0.456 0.000 3.836 326 N HA 0.088 nan 4.740 nan 0.000 0.229 326 N C -2.079 172.973 175.510 -0.764 0.000 1.375 326 N CA -0.553 52.010 53.050 -0.813 0.000 0.838 326 N CB 1.703 39.924 38.487 -0.444 0.000 1.447 326 N HN -0.182 7.976 8.380 -0.371 0.000 0.458 327 K N -0.931 118.993 120.400 -0.794 0.000 2.412 327 K HA -0.119 nan 4.320 nan 0.000 0.281 327 K C -0.720 175.804 176.600 -0.127 0.000 1.027 327 K CA 1.525 57.698 56.287 -0.190 0.000 0.989 327 K CB -0.391 32.168 32.500 0.098 0.000 0.935 327 K HN 0.372 8.056 8.250 -0.944 0.000 0.475 328 D N -2.347 118.022 120.400 -0.052 0.000 2.074 328 D HA -0.242 nan 4.640 nan 0.000 0.214 328 D C -0.938 175.332 176.300 -0.051 0.000 1.279 328 D CA 2.005 55.985 54.000 -0.033 0.000 1.539 328 D CB -0.733 40.041 40.800 -0.043 0.000 1.415 328 D HN 0.688 9.114 8.370 -0.005 -0.058 0.630 329 T N -3.815 110.667 114.554 -0.120 0.000 2.742 329 T HA 0.430 nan 4.350 nan 0.000 0.282 329 T C -2.121 172.418 174.700 -0.269 0.000 1.025 329 T CA -1.519 60.486 62.100 -0.159 0.000 1.020 329 T CB 3.986 72.774 68.868 -0.134 0.000 1.317 329 T HN -0.677 7.484 8.240 -0.162 -0.018 0.538 330 T N 2.189 116.520 114.554 -0.372 0.000 4.445 330 T HA 0.152 nan 4.350 nan 0.000 0.365 330 T C -2.487 171.930 174.700 -0.473 0.000 0.885 330 T CA 0.420 62.233 62.100 -0.477 0.000 0.987 330 T CB 1.435 69.883 68.868 -0.700 0.000 1.150 330 T HN 0.051 8.090 8.240 -0.335 0.000 0.464 331 T N 5.168 119.565 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.104 174.536 174.700 -0.099 0.000 1.035 331 T CA -2.458 59.547 62.100 -0.158 0.000 0.950 331 T CB -0.001 68.811 68.868 -0.092 0.000 0.984 331 T HN 0.164 8.275 8.240 -0.216 0.000 0.486 332 I N 7.438 127.972 120.570 -0.060 0.000 2.389 332 I HA -0.062 nan 4.170 nan 0.000 0.295 332 I C 0.276 176.390 176.117 -0.005 0.000 1.117 332 I CA 0.393 61.687 61.300 -0.011 0.000 1.317 332 I CB -0.375 37.652 38.000 0.044 0.000 1.431 332 I HN 0.466 8.713 8.210 -0.058 -0.072 0.521 333 I N 8.079 128.641 120.570 -0.013 0.000 2.439 333 I HA -0.251 nan 4.170 nan 0.000 0.251 333 I C -0.524 175.590 176.117 -0.005 0.000 1.139 333 I CA 2.539 63.833 61.300 -0.010 0.000 1.438 333 I CB 0.423 38.415 38.000 -0.014 0.000 1.085 333 I HN -0.006 8.193 8.210 -0.020 0.000 0.427 334 D N -1.165 119.232 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.208 176.086 176.300 -0.011 0.000 1.368 334 D CA -0.825 53.171 54.000 -0.007 0.000 1.001 334 D CB 2.151 42.947 40.800 -0.007 0.000 1.364 334 D HN -0.620 7.747 8.370 -0.005 0.000 0.577 335 G N 2.959 111.753 108.800 -0.010 0.000 2.684 335 G HA2 0.232 nan 3.960 nan 0.000 0.255 335 G HA3 0.232 nan 3.960 nan 0.000 0.255 335 G C -0.242 174.642 174.900 -0.027 0.000 1.219 335 G CA -0.108 44.982 45.100 -0.017 0.000 0.901 335 G HN 0.208 8.357 8.290 -0.006 0.137 0.548 336 V N -5.527 114.364 119.914 -0.038 0.000 3.392 336 V HA 0.246 nan 4.120 nan 0.000 0.294 336 V C 0.499 176.568 176.094 -0.042 0.000 1.561 336 V CA -0.497 61.777 62.300 -0.045 0.000 1.056 336 V CB 0.791 32.572 31.823 -0.070 0.000 0.882 336 V HN -0.473 7.693 8.190 -0.040 0.000 0.440 337 G N 1.409 110.186 108.800 -0.037 0.000 2.365 337 G HA2 -0.102 nan 3.960 nan 0.000 0.249 337 G HA3 -0.102 nan 3.960 nan 0.000 0.249 337 G C -0.642 174.243 174.900 -0.025 0.000 1.288 337 G CA -0.087 44.993 45.100 -0.033 0.000 0.887 337 G HN -0.474 7.796 8.290 -0.034 0.000 0.524 338 E N 4.471 124.657 120.200 -0.023 0.000 2.734 338 E HA -0.338 nan 4.350 nan 0.000 0.235 338 E C 0.789 177.380 176.600 -0.015 0.000 1.107 338 E CA 0.468 56.858 56.400 -0.018 0.000 0.951 338 E CB -0.514 29.176 29.700 -0.016 0.000 0.955 338 E HN 0.047 8.392 8.360 -0.026 0.000 0.515 339 E N 7.513 127.705 120.200 -0.014 0.000 2.240 339 E HA -0.550 nan 4.350 nan 0.000 0.236 339 E C 1.479 178.072 176.600 -0.011 0.000 1.085 339 E CA 3.653 60.046 56.400 -0.012 0.000 0.979 339 E CB 0.082 29.776 29.700 -0.010 0.000 0.845 339 E HN 0.082 8.433 8.360 -0.014 0.000 0.483 340 A N -2.146 120.668 122.820 -0.010 0.000 1.927 340 A HA -0.265 nan 4.320 nan 0.000 0.220 340 A C 2.082 179.660 177.584 -0.011 0.000 1.185 340 A CA 2.813 54.844 52.037 -0.010 0.000 0.639 340 A CB -1.055 17.940 19.000 -0.009 0.000 0.820 340 A HN 0.258 8.402 8.150 -0.010 0.000 0.451 341 A N -1.143 121.669 122.820 -0.012 0.000 1.865 341 A HA -0.297 nan 4.320 nan 0.000 0.217 341 A C 2.142 179.718 177.584 -0.014 0.000 1.191 341 A CA 2.885 54.914 52.037 -0.013 0.000 0.623 341 A CB -0.800 18.191 19.000 -0.015 0.000 0.826 341 A HN 0.180 8.226 8.150 -0.012 0.096 0.444 342 I N -2.502 118.060 120.570 -0.014 0.000 2.530 342 I HA -0.594 nan 4.170 nan 0.000 0.257 342 I C 2.062 178.172 176.117 -0.012 0.000 1.179 342 I CA 3.409 64.701 61.300 -0.014 0.000 1.440 342 I CB -0.353 37.639 38.000 -0.013 0.000 1.087 342 I HN -0.510 7.632 8.210 -0.015 0.059 0.440 343 Q N -0.778 119.016 119.800 -0.011 0.000 2.016 343 Q HA -0.283 nan 4.340 nan 0.000 0.200 343 Q C 2.728 178.722 176.000 -0.011 0.000 0.978 343 Q CA 3.392 59.189 55.803 -0.010 0.000 0.833 343 Q CB -0.252 28.481 28.738 -0.009 0.000 0.895 343 Q HN 0.465 8.538 8.270 -0.011 0.190 0.427 344 G N -1.973 106.820 108.800 -0.011 0.000 2.501 344 G HA2 -0.344 nan 3.960 nan 0.000 0.220 344 G HA3 -0.344 nan 3.960 nan 0.000 0.220 344 G C 1.564 176.457 174.900 -0.012 0.000 1.114 344 G CA 1.616 46.709 45.100 -0.011 0.000 0.757 344 G HN 0.373 8.657 8.290 -0.011 0.000 0.559 345 R N 1.066 121.558 120.500 -0.014 0.000 2.055 345 R HA -0.172 nan 4.340 nan 0.000 0.228 345 R C 2.203 178.493 176.300 -0.017 0.000 1.143 345 R CA 1.584 57.674 56.100 -0.016 0.000 0.945 345 R CB -1.327 28.962 30.300 -0.018 0.000 0.841 345 R HN -0.543 7.552 8.270 -0.013 0.167 0.429 346 V N -0.026 119.879 119.914 -0.016 0.000 2.231 346 V HA -0.381 nan 4.120 nan 0.000 0.250 346 V C 2.008 178.093 176.094 -0.015 0.000 1.058 346 V CA 3.838 66.128 62.300 -0.016 0.000 1.022 346 V CB -0.994 30.820 31.823 -0.014 0.000 0.640 346 V HN -0.590 7.591 8.190 -0.015 0.000 0.445 347 A N -2.519 120.294 122.820 -0.013 0.000 1.917 347 A HA -0.490 nan 4.320 nan 0.000 0.219 347 A C 1.704 179.281 177.584 -0.011 0.000 1.182 347 A CA 3.474 55.504 52.037 -0.011 0.000 0.633 347 A CB -0.909 18.086 19.000 -0.009 0.000 0.819 347 A HN -0.018 8.124 8.150 -0.012 0.000 0.448 348 Q N -0.560 119.233 119.800 -0.012 0.000 2.061 348 Q HA -0.305 nan 4.340 nan 0.000 0.204 348 Q C 2.473 178.465 176.000 -0.014 0.000 0.984 348 Q CA 3.050 58.846 55.803 -0.012 0.000 0.846 348 Q CB -0.380 28.351 28.738 -0.013 0.000 0.902 348 Q HN -0.575 7.597 8.270 -0.013 0.090 0.421 349 I N 0.066 120.626 120.570 -0.017 0.000 2.252 349 I HA -0.520 nan 4.170 nan 0.000 0.245 349 I C 1.890 177.996 176.117 -0.017 0.000 1.102 349 I CA 3.751 65.039 61.300 -0.020 0.000 1.385 349 I CB -0.398 37.587 38.000 -0.025 0.000 1.064 349 I HN -0.267 7.850 8.210 -0.017 0.082 0.414 350 R N -0.649 119.842 120.500 -0.016 0.000 2.094 350 R HA -0.489 nan 4.340 nan 0.000 0.239 350 R C 2.655 178.949 176.300 -0.010 0.000 1.137 350 R CA 4.239 60.331 56.100 -0.013 0.000 0.943 350 R CB -0.360 29.933 30.300 -0.012 0.000 0.850 350 R HN 0.201 8.280 8.270 -0.016 0.182 0.433 351 Q N -1.552 118.243 119.800 -0.009 0.000 2.030 351 Q HA -0.346 nan 4.340 nan 0.000 0.204 351 Q C 2.927 178.923 176.000 -0.007 0.000 0.986 351 Q CA 2.991 58.790 55.803 -0.007 0.000 0.843 351 Q CB -0.280 28.454 28.738 -0.007 0.000 0.904 351 Q HN 0.244 8.402 8.270 -0.010 0.106 0.420 352 Q N -0.350 119.445 119.800 -0.009 0.000 2.156 352 Q HA -0.399 nan 4.340 nan 0.000 0.211 352 Q C 2.918 178.915 176.000 -0.006 0.000 0.995 352 Q CA 3.013 58.812 55.803 -0.008 0.000 0.877 352 Q CB -0.224 28.508 28.738 -0.011 0.000 0.920 352 Q HN 0.029 8.134 8.270 -0.010 0.159 0.416 353 I N -1.149 119.416 120.570 -0.008 0.000 2.194 353 I HA -0.531 nan 4.170 nan 0.000 0.246 353 I C 2.326 178.443 176.117 -0.001 0.000 1.093 353 I CA 3.461 64.757 61.300 -0.005 0.000 1.355 353 I CB -0.587 37.407 38.000 -0.009 0.000 1.046 353 I HN 0.272 8.468 8.210 -0.011 0.008 0.413 354 E N 1.069 121.267 120.200 -0.002 0.000 2.130 354 E HA -0.278 nan 4.350 nan 0.000 0.196 354 E C 0.904 177.504 176.600 0.001 0.000 0.998 354 E CA 2.904 59.304 56.400 -0.001 0.000 0.806 354 E CB -0.045 29.654 29.700 -0.002 0.000 0.738 354 E HN 0.280 8.529 8.360 -0.004 0.109 0.459 355 E N -4.002 116.198 120.200 0.000 0.000 2.444 355 E HA 0.065 nan 4.350 nan 0.000 0.191 355 E C -0.169 176.433 176.600 0.004 0.000 1.041 355 E CA -1.233 55.168 56.400 0.002 0.000 0.883 355 E CB -0.384 29.316 29.700 0.000 0.000 1.024 355 E HN -0.243 8.007 8.360 -0.001 0.109 0.470 356 A N 0.961 123.784 122.820 0.006 0.000 2.728 356 A HA 0.068 nan 4.320 nan 0.000 0.258 356 A C -0.444 177.150 177.584 0.017 0.000 1.454 356 A CA -0.433 51.611 52.037 0.012 0.000 1.146 356 A CB -1.769 17.238 19.000 0.012 0.000 0.985 356 A HN -0.026 7.880 8.150 0.004 0.247 0.603 357 T N -3.230 111.332 114.554 0.012 0.000 12.844 357 T HA -0.496 nan 4.350 nan 0.000 0.417 357 T C 0.429 175.137 174.700 0.014 0.000 1.443 357 T CA 2.397 64.504 62.100 0.012 0.000 2.363 357 T CB -1.136 67.739 68.868 0.011 0.000 2.817 357 T HN 0.054 8.183 8.240 0.009 0.117 0.709 358 S N 1.464 117.176 115.700 0.021 0.000 3.930 358 S HA 0.118 nan 4.470 nan 0.000 0.291 358 S C -2.289 172.338 174.600 0.045 0.000 1.078 358 S CA -0.770 57.446 58.200 0.026 0.000 1.259 358 S CB 1.580 64.789 63.200 0.016 0.000 1.724 358 S HN -0.438 7.888 8.310 0.026 0.000 0.513 359 D N 2.518 122.942 120.400 0.040 0.000 8.056 359 D HA -0.275 nan 4.640 nan 0.000 0.105 359 D C 0.469 176.857 176.300 0.148 0.000 1.068 359 D CA 1.388 55.419 54.000 0.051 0.000 0.865 359 D CB -0.331 40.463 40.800 -0.011 0.000 1.678 359 D HN 0.155 8.541 8.370 0.025 0.000 0.956 360 Y N 3.607 123.902 120.300 -0.009 0.000 3.298 360 Y HA -0.654 nan 4.550 nan 0.000 0.479 360 Y C -0.359 175.529 175.900 -0.019 0.000 0.905 360 Y CA 1.996 60.089 58.100 -0.013 0.000 2.986 360 Y CB -1.171 37.282 38.460 -0.011 0.000 0.768 360 Y HN 0.181 8.567 8.280 0.177 0.000 0.564 361 D N -1.661 118.993 120.400 0.424 0.000 2.411 361 D HA -0.350 nan 4.640 nan 0.000 0.226 361 D C 1.883 178.183 176.300 0.000 0.000 0.988 361 D CA 2.431 56.532 54.000 0.169 0.000 0.938 361 D CB -1.114 39.788 40.800 0.170 0.000 0.883 361 D HN 0.466 8.994 8.370 0.382 0.070 0.525 362 R N -0.352 120.149 120.500 0.002 0.000 2.173 362 R HA -0.115 nan 4.340 nan 0.000 0.208 362 R C 1.435 177.690 176.300 -0.074 0.000 1.035 362 R CA 1.691 57.775 56.100 -0.026 0.000 1.004 362 R CB -0.196 30.102 30.300 -0.003 0.000 0.917 362 R HN -0.066 8.153 8.270 0.052 0.082 0.462 363 E N -0.398 119.726 120.200 -0.127 0.000 2.012 363 E HA -0.328 nan 4.350 nan 0.000 0.197 363 E C 2.123 178.607 176.600 -0.192 0.000 1.007 363 E CA 3.085 59.379 56.400 -0.178 0.000 0.816 363 E CB -0.678 28.853 29.700 -0.281 0.000 0.762 363 E HN 0.266 8.418 8.360 -0.112 0.141 0.451 364 K N -1.950 118.289 120.400 -0.268 0.000 2.147 364 K HA -0.239 nan 4.320 nan 0.000 0.205 364 K C 2.413 178.938 176.600 -0.125 0.000 1.049 364 K CA 2.775 58.940 56.287 -0.203 0.000 0.936 364 K CB -0.674 31.690 32.500 -0.226 0.000 0.722 364 K HN -0.575 7.436 8.250 -0.398 0.000 0.446 365 L N -3.333 117.829 121.223 -0.102 0.000 2.610 365 L HA -0.190 nan 4.340 nan 0.000 0.232 365 L C 0.219 177.057 176.870 -0.055 0.000 1.149 365 L CA 1.189 55.990 54.840 -0.065 0.000 0.872 365 L CB -0.575 41.458 42.059 -0.044 0.000 0.992 365 L HN -0.529 7.515 8.230 -0.113 0.118 0.447 366 Q N -3.286 116.476 119.800 -0.063 0.000 2.423 366 Q HA -0.026 nan 4.340 nan 0.000 0.231 366 Q C 1.740 177.710 176.000 -0.050 0.000 0.894 366 Q CA 1.415 57.190 55.803 -0.048 0.000 0.938 366 Q CB 1.320 30.032 28.738 -0.044 0.000 1.079 366 Q HN -0.055 7.964 8.270 -0.083 0.201 0.552 367 E N 1.215 121.375 120.200 -0.067 0.000 2.158 367 E HA -0.234 nan 4.350 nan 0.000 0.191 367 E C 1.938 178.505 176.600 -0.055 0.000 0.982 367 E CA 2.501 58.864 56.400 -0.061 0.000 0.823 367 E CB 0.166 29.816 29.700 -0.083 0.000 0.766 367 E HN 0.360 8.479 8.360 -0.086 0.189 0.468 368 R N -1.717 118.744 120.500 -0.065 0.000 2.297 368 R HA -0.006 nan 4.340 nan 0.000 0.197 368 R C 1.681 177.954 176.300 -0.045 0.000 0.943 368 R CA 1.652 57.715 56.100 -0.061 0.000 1.038 368 R CB 0.526 30.780 30.300 -0.077 0.000 0.957 368 R HN -0.015 8.106 8.270 -0.074 0.105 0.484 369 V N -6.359 113.533 119.914 -0.038 0.000 2.992 369 V HA 0.251 nan 4.120 nan 0.000 0.250 369 V C 0.873 176.955 176.094 -0.020 0.000 1.090 369 V CA 1.343 63.627 62.300 -0.028 0.000 1.101 369 V CB -0.383 31.425 31.823 -0.026 0.000 0.743 369 V HN -0.756 7.363 8.190 -0.041 0.047 0.468 370 A N 0.377 123.185 122.820 -0.020 0.000 2.019 370 A HA -0.251 nan 4.320 nan 0.000 0.219 370 A C 0.888 178.470 177.584 -0.004 0.000 1.164 370 A CA 3.165 55.195 52.037 -0.012 0.000 0.644 370 A CB -0.729 18.263 19.000 -0.013 0.000 0.805 370 A HN -0.437 7.697 8.150 -0.027 0.000 0.449 371 K N -4.030 116.368 120.400 -0.004 0.000 2.098 371 K HA -0.128 nan 4.320 nan 0.000 0.203 371 K C 2.186 178.791 176.600 0.009 0.000 1.051 371 K CA 2.344 58.637 56.287 0.011 0.000 0.957 371 K CB -0.074 32.435 32.500 0.015 0.000 0.738 371 K HN -0.306 7.894 8.250 -0.013 0.043 0.447 372 L N -0.616 120.605 121.223 -0.003 0.000 2.007 372 L HA -0.137 nan 4.340 nan 0.000 0.205 372 L C 1.422 178.289 176.870 -0.004 0.000 1.073 372 L CA 2.229 57.067 54.840 -0.004 0.000 0.744 372 L CB 0.450 42.502 42.059 -0.012 0.000 0.898 372 L HN -0.592 7.631 8.230 -0.010 0.000 0.435 373 A N -2.548 120.268 122.820 -0.007 0.000 3.091 373 A HA -0.018 nan 4.320 nan 0.000 0.264 373 A C -0.731 176.850 177.584 -0.004 0.000 1.673 373 A CA 0.356 52.389 52.037 -0.007 0.000 1.362 373 A CB -1.931 17.063 19.000 -0.009 0.000 1.137 373 A HN 0.168 8.218 8.150 -0.010 0.094 0.617 374 G N -0.808 107.991 108.800 -0.001 0.000 3.990 374 G HA2 0.022 nan 3.960 nan 0.000 0.204 374 G HA3 0.022 nan 3.960 nan 0.000 0.204 374 G C -0.612 174.289 174.900 0.002 0.000 1.420 374 G CA 0.193 45.294 45.100 0.000 0.000 0.942 374 G HN -0.451 7.781 8.290 -0.001 0.058 0.606 375 G N 1.521 110.324 108.800 0.005 0.000 2.877 375 G HA2 -0.422 nan 3.960 nan 0.000 0.279 375 G HA3 -0.422 nan 3.960 nan 0.000 0.279 375 G C -1.468 173.435 174.900 0.006 0.000 1.431 375 G CA 0.001 45.104 45.100 0.005 0.000 0.883 375 G HN -0.779 7.515 8.290 0.006 0.000 0.547 376 V N -1.493 118.424 119.914 0.004 0.000 3.134 376 V HA 0.404 nan 4.120 nan 0.000 0.313 376 V C -0.592 175.501 176.094 -0.001 0.000 1.069 376 V CA -1.044 61.257 62.300 0.002 0.000 1.048 376 V CB 1.400 33.223 31.823 -0.000 0.000 1.119 376 V HN 0.186 8.378 8.190 0.003 0.000 0.461 377 A N 2.374 125.192 122.820 -0.003 0.000 2.646 377 A HA 0.439 nan 4.320 nan 0.000 0.312 377 A C -1.892 175.686 177.584 -0.009 0.000 1.245 377 A CA -1.009 51.024 52.037 -0.006 0.000 0.755 377 A CB 1.196 20.192 19.000 -0.006 0.000 1.132 377 A HN 0.093 8.241 8.150 -0.003 0.000 0.458 378 V N 5.302 125.211 119.914 -0.009 0.000 2.488 378 V HA 0.293 nan 4.120 nan 0.000 0.277 378 V C -1.054 175.032 176.094 -0.013 0.000 1.046 378 V CA 0.247 62.540 62.300 -0.011 0.000 0.986 378 V CB 0.710 32.527 31.823 -0.009 0.000 0.989 378 V HN 0.332 8.517 8.190 -0.008 0.000 0.475 379 I N 9.150 129.710 120.570 -0.017 0.000 2.336 379 I HA 0.262 nan 4.170 nan 0.000 0.292 379 I C -1.371 174.735 176.117 -0.018 0.000 0.991 379 I CA -0.779 60.509 61.300 -0.019 0.000 1.227 379 I CB 1.619 39.603 38.000 -0.027 0.000 1.366 379 I HN 0.587 8.679 8.210 -0.019 0.106 0.466 380 K N 7.509 127.900 120.400 -0.015 0.000 2.419 380 K HA 0.414 nan 4.320 nan 0.000 0.244 380 K C -0.436 176.156 176.600 -0.013 0.000 1.045 380 K CA -1.671 54.608 56.287 -0.013 0.000 1.004 380 K CB -0.858 31.637 32.500 -0.010 0.000 1.376 380 K HN 0.786 8.925 8.250 -0.014 0.103 0.460 381 V N 0.955 120.860 119.914 -0.015 0.000 3.209 381 V HA 0.003 nan 4.120 nan 0.000 0.305 381 V C -0.702 175.385 176.094 -0.011 0.000 1.127 381 V CA -0.150 62.141 62.300 -0.015 0.000 1.235 381 V CB 0.020 31.833 31.823 -0.017 0.000 0.987 381 V HN -0.558 7.622 8.190 -0.017 0.000 0.499 382 G N -1.702 107.092 108.800 -0.011 0.000 2.690 382 G HA2 0.408 nan 3.960 nan 0.000 0.293 382 G HA3 0.408 nan 3.960 nan 0.000 0.293 382 G C -2.880 172.015 174.900 -0.008 0.000 1.399 382 G CA -0.885 44.210 45.100 -0.008 0.000 0.890 382 G HN -0.439 7.931 8.290 -0.012 -0.087 0.485 383 A N -0.814 122.002 122.820 -0.006 0.000 4.989 383 A HA 0.197 nan 4.320 nan 0.000 0.238 383 A C -1.741 175.840 177.584 -0.005 0.000 0.962 383 A CA 0.472 52.506 52.037 -0.005 0.000 0.608 383 A CB 0.705 19.702 19.000 -0.005 0.000 1.893 383 A HN -0.421 7.726 8.150 -0.006 0.000 0.923 384 A N -1.589 121.229 122.820 -0.004 0.000 2.016 384 A HA 0.113 nan 4.320 nan 0.000 0.202 384 A C 0.003 177.585 177.584 -0.003 0.000 1.632 384 A CA 0.899 52.934 52.037 -0.003 0.000 0.891 384 A CB 0.474 19.473 19.000 -0.003 0.000 1.103 384 A HN 0.312 8.460 8.150 -0.004 0.000 0.547 385 T N 0.206 114.758 114.554 -0.003 0.000 2.909 385 T HA 0.140 nan 4.350 nan 0.000 0.289 385 T C 0.813 175.511 174.700 -0.003 0.000 1.005 385 T CA -0.369 61.729 62.100 -0.003 0.000 1.084 385 T CB 1.161 70.027 68.868 -0.002 0.000 0.975 385 T HN -0.371 7.868 8.240 -0.003 0.000 0.509 386 E N 3.194 123.392 120.200 -0.003 0.000 2.110 386 E HA -0.355 nan 4.350 nan 0.000 0.193 386 E C 1.635 178.233 176.600 -0.002 0.000 0.988 386 E CA 3.130 59.528 56.400 -0.003 0.000 0.804 386 E CB 0.062 29.760 29.700 -0.002 0.000 0.745 386 E HN 0.436 8.794 8.360 -0.003 0.000 0.458 387 V N 0.339 120.252 119.914 -0.002 0.000 2.214 387 V HA -0.325 nan 4.120 nan 0.000 0.247 387 V C 2.161 178.254 176.094 -0.002 0.000 1.051 387 V CA 3.947 66.246 62.300 -0.001 0.000 1.003 387 V CB -0.658 31.164 31.823 -0.001 0.000 0.635 387 V HN -0.018 8.170 8.190 -0.002 0.001 0.447 388 E N -1.277 118.922 120.200 -0.002 0.000 2.171 388 E HA -0.335 nan 4.350 nan 0.000 0.197 388 E C 2.357 178.954 176.600 -0.004 0.000 0.997 388 E CA 2.930 59.329 56.400 -0.003 0.000 0.810 388 E CB -0.451 29.247 29.700 -0.003 0.000 0.738 388 E HN 0.139 8.498 8.360 -0.002 0.000 0.467 389 M N -0.474 119.124 119.600 -0.004 0.000 2.229 389 M HA -0.234 nan 4.480 nan 0.000 0.264 389 M C 1.819 178.116 176.300 -0.005 0.000 1.063 389 M CA 2.723 58.020 55.300 -0.005 0.000 1.114 389 M CB -0.166 32.432 32.600 -0.004 0.000 1.387 389 M HN 0.267 8.307 8.290 -0.003 0.248 0.420 390 K N -0.278 120.121 120.400 -0.003 0.000 2.116 390 K HA -0.247 nan 4.320 nan 0.000 0.203 390 K C 2.214 178.813 176.600 -0.002 0.000 1.052 390 K CA 2.607 58.892 56.287 -0.002 0.000 0.952 390 K CB -0.587 31.913 32.500 -0.000 0.000 0.729 390 K HN 0.298 8.401 8.250 -0.002 0.146 0.446 391 E N -0.709 119.490 120.200 -0.002 0.000 2.106 391 E HA -0.315 nan 4.350 nan 0.000 0.192 391 E C 2.337 178.934 176.600 -0.004 0.000 0.984 391 E CA 3.325 59.724 56.400 -0.002 0.000 0.806 391 E CB -0.420 29.280 29.700 -0.001 0.000 0.750 391 E HN -0.518 7.841 8.360 -0.002 0.000 0.458 392 K N -0.224 120.172 120.400 -0.007 0.000 2.026 392 K HA -0.348 nan 4.320 nan 0.000 0.208 392 K C 1.740 178.331 176.600 -0.015 0.000 1.048 392 K CA 3.304 59.585 56.287 -0.011 0.000 0.929 392 K CB -0.080 32.414 32.500 -0.011 0.000 0.713 392 K HN -0.688 7.544 8.250 -0.006 0.014 0.439 393 K N -1.088 119.305 120.400 -0.013 0.000 2.044 393 K HA -0.354 nan 4.320 nan 0.000 0.210 393 K C 2.036 178.626 176.600 -0.016 0.000 1.049 393 K CA 3.121 59.399 56.287 -0.015 0.000 0.927 393 K CB -0.183 32.312 32.500 -0.009 0.000 0.713 393 K HN -0.762 7.482 8.250 -0.010 0.000 0.443 394 A N -1.926 120.890 122.820 -0.007 0.000 1.865 394 A HA -0.336 nan 4.320 nan 0.000 0.217 394 A C 2.388 179.968 177.584 -0.006 0.000 1.191 394 A CA 3.191 55.228 52.037 0.001 0.000 0.623 394 A CB -0.818 18.185 19.000 0.005 0.000 0.826 394 A HN -0.271 7.877 8.150 -0.005 -0.001 0.444 395 R N -2.130 118.364 120.500 -0.010 0.000 2.083 395 R HA -0.409 nan 4.340 nan 0.000 0.237 395 R C 2.374 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.368 59.460 56.100 -0.014 0.000 0.951 395 R CB -0.275 30.018 30.300 -0.012 0.000 0.851 395 R HN -0.056 8.033 8.270 -0.008 0.176 0.434 396 V N 0.021 119.909 119.914 -0.043 0.000 2.223 396 V HA -0.460 nan 4.120 nan 0.000 0.244 396 V C 1.680 177.700 176.094 -0.124 0.000 1.045 396 V CA 4.532 66.791 62.300 -0.068 0.000 1.000 396 V CB -0.924 30.864 31.823 -0.058 0.000 0.635 396 V HN 0.633 8.694 8.190 -0.034 0.109 0.445 397 E N -1.194 118.930 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.129 178.508 176.600 -0.369 0.000 1.029 397 E CA 3.493 59.762 56.400 -0.217 0.000 0.828 397 E CB -0.302 29.362 29.700 -0.060 0.000 0.737 397 E HN -0.069 8.243 8.360 -0.079 0.000 0.464 398 D N -1.274 119.054 120.400 -0.120 0.000 2.075 398 D HA -0.230 nan 4.640 nan 0.000 0.196 398 D C 2.037 178.301 176.300 -0.059 0.000 0.985 398 D CA 3.096 57.092 54.000 -0.007 0.000 0.834 398 D CB 0.224 41.036 40.800 0.020 0.000 0.987 398 D HN -0.622 7.691 8.370 -0.070 0.015 0.452 399 A N -0.198 122.581 122.820 -0.069 0.000 1.978 399 A HA -0.235 nan 4.320 nan 0.000 0.220 399 A C 2.155 179.693 177.584 -0.078 0.000 1.170 399 A CA 2.817 54.824 52.037 -0.050 0.000 0.636 399 A CB -0.639 18.337 19.000 -0.040 0.000 0.810 399 A HN -0.114 7.999 8.150 -0.062 0.000 0.448 400 L N -2.578 118.541 121.223 -0.173 0.000 2.093 400 L HA -0.423 nan 4.340 nan 0.000 0.208 400 L C 1.286 178.087 176.870 -0.115 0.000 1.085 400 L CA 3.441 58.180 54.840 -0.169 0.000 0.755 400 L CB -0.152 41.759 42.059 -0.246 0.000 0.904 400 L HN 0.421 8.487 8.230 -0.226 0.028 0.435 401 H N -1.129 117.939 119.070 -0.003 0.000 2.293 401 H HA -0.383 nan 4.556 nan 0.000 0.300 401 H C 1.964 177.293 175.328 0.002 0.000 1.082 401 H CA 3.383 59.429 56.048 -0.002 0.000 1.308 401 H CB -0.327 29.433 29.762 -0.004 0.000 1.375 401 H HN -0.347 7.572 8.280 -0.416 0.111 0.495 402 A N -2.229 120.654 122.820 0.105 0.000 1.917 402 A HA -0.421 nan 4.320 nan 0.000 0.219 402 A C 2.010 179.618 177.584 0.041 0.000 1.182 402 A CA 3.351 55.425 52.037 0.061 0.000 0.633 402 A CB -0.924 18.100 19.000 0.039 0.000 0.819 402 A HN -0.396 7.809 8.150 0.091 0.000 0.448 403 T N 1.182 115.751 114.554 0.025 0.000 2.821 403 T HA -0.272 nan 4.350 nan 0.000 0.267 403 T C 2.099 176.813 174.700 0.023 0.000 1.046 403 T CA 4.567 66.676 62.100 0.016 0.000 1.139 403 T CB -0.553 68.316 68.868 0.001 0.000 0.871 403 T HN -0.247 8.001 8.240 0.013 0.000 0.454 404 R N 1.570 122.091 120.500 0.035 0.000 2.148 404 R HA -0.257 nan 4.340 nan 0.000 0.227 404 R C 1.606 177.930 176.300 0.039 0.000 1.103 404 R CA 2.186 58.309 56.100 0.039 0.000 0.983 404 R CB -0.794 29.541 30.300 0.058 0.000 0.874 404 R HN -0.401 7.893 8.270 0.040 0.000 0.451 405 A N -1.169 121.678 122.820 0.045 0.000 1.826 405 A HA -0.118 nan 4.320 nan 0.000 0.214 405 A C 2.097 179.700 177.584 0.031 0.000 1.212 405 A CA 2.572 54.633 52.037 0.039 0.000 0.605 405 A CB -0.734 18.292 19.000 0.044 0.000 0.861 405 A HN -0.448 7.612 8.150 0.053 0.122 0.447 406 A N -1.375 121.462 122.820 0.028 0.000 1.927 406 A HA -0.367 nan 4.320 nan 0.000 0.220 406 A C 2.164 179.759 177.584 0.019 0.000 1.185 406 A CA 3.096 55.146 52.037 0.022 0.000 0.639 406 A CB -0.690 18.322 19.000 0.020 0.000 0.820 406 A HN -0.092 8.077 8.150 0.031 0.000 0.451 407 V N -2.447 117.478 119.914 0.019 0.000 2.380 407 V HA -0.485 nan 4.120 nan 0.000 0.251 407 V C 1.967 178.070 176.094 0.015 0.000 1.063 407 V CA 3.803 66.112 62.300 0.015 0.000 1.055 407 V CB -0.937 30.894 31.823 0.014 0.000 0.657 407 V HN 0.193 8.277 8.190 0.021 0.118 0.455 408 E N -1.303 118.908 120.200 0.018 0.000 2.012 408 E HA -0.144 nan 4.350 nan 0.000 0.192 408 E C 1.726 178.335 176.600 0.015 0.000 0.977 408 E CA 2.144 58.553 56.400 0.017 0.000 0.832 408 E CB 0.147 29.858 29.700 0.019 0.000 0.790 408 E HN -0.324 8.032 8.360 0.021 0.016 0.466 409 E N -1.716 118.494 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.399 176.210 176.600 0.015 0.000 1.053 409 E CA -0.452 55.957 56.400 0.015 0.000 0.869 409 E CB 0.952 30.661 29.700 0.014 0.000 0.977 409 E HN -0.338 8.033 8.360 0.019 0.000 0.483 410 G N -1.445 107.364 108.800 0.016 0.000 2.568 410 G HA2 -0.369 nan 3.960 nan 0.000 0.222 410 G HA3 -0.369 nan 3.960 nan 0.000 0.222 410 G C -2.662 172.249 174.900 0.017 0.000 1.321 410 G CA -0.319 44.791 45.100 0.015 0.000 0.893 410 G HN -0.135 8.098 8.290 0.016 0.067 0.569 411 V N 0.727 120.651 119.914 0.017 0.000 2.488 411 V HA 0.649 nan 4.120 nan 0.000 0.293 411 V C -0.749 175.356 176.094 0.020 0.000 1.027 411 V CA -1.762 60.549 62.300 0.018 0.000 0.862 411 V CB 1.634 33.468 31.823 0.018 0.000 1.008 411 V HN -0.419 7.781 8.190 0.016 0.000 0.428 412 V N 4.274 124.200 119.914 0.020 0.000 2.997 412 V HA 0.708 nan 4.120 nan 0.000 0.311 412 V C -0.983 175.125 176.094 0.023 0.000 1.066 412 V CA -3.571 58.742 62.300 0.021 0.000 1.039 412 V CB 1.887 33.722 31.823 0.020 0.000 1.081 412 V HN -0.094 8.108 8.190 0.020 0.000 0.467 413 A N 0.844 123.680 122.820 0.026 0.000 2.545 413 A HA -0.026 nan 4.320 nan 0.000 0.253 413 A C 0.120 177.718 177.584 0.023 0.000 1.074 413 A CA 0.567 52.621 52.037 0.028 0.000 0.760 413 A CB -0.335 18.686 19.000 0.035 0.000 1.005 413 A HN 0.020 8.311 8.150 0.027 -0.126 0.506 414 G N 0.730 109.543 108.800 0.022 0.000 2.514 414 G HA2 -0.019 nan 3.960 nan 0.000 0.245 414 G HA3 -0.019 nan 3.960 nan 0.000 0.245 414 G C 0.271 175.182 174.900 0.018 0.000 1.488 414 G CA -1.128 43.984 45.100 0.019 0.000 1.063 414 G HN -0.413 7.890 8.290 0.022 0.000 0.557 415 G N -1.120 107.691 108.800 0.019 0.000 2.166 415 G HA2 -0.323 nan 3.960 nan 0.000 0.260 415 G HA3 -0.323 nan 3.960 nan 0.000 0.260 415 G C 0.350 175.263 174.900 0.022 0.000 0.986 415 G CA 0.402 45.516 45.100 0.024 0.000 0.683 415 G HN 0.490 8.791 8.290 0.018 0.000 0.527 416 G N -2.909 105.900 108.800 0.015 0.000 2.136 416 G HA2 -0.383 nan 3.960 nan 0.000 0.242 416 G HA3 -0.383 nan 3.960 nan 0.000 0.242 416 G C 0.434 175.337 174.900 0.004 0.000 0.989 416 G CA 0.181 45.286 45.100 0.009 0.000 0.682 416 G HN 0.002 8.231 8.290 0.016 0.070 0.522 417 V N 0.705 120.623 119.914 0.006 0.000 2.446 417 V HA -0.246 nan 4.120 nan 0.000 0.244 417 V C 1.508 177.606 176.094 0.006 0.000 1.039 417 V CA 3.081 65.380 62.300 -0.001 0.000 1.045 417 V CB -0.557 31.264 31.823 -0.003 0.000 0.681 417 V HN -0.250 7.794 8.190 0.011 0.153 0.459 418 A N 0.446 123.274 122.820 0.013 0.000 1.859 418 A HA -0.413 nan 4.320 nan 0.000 0.217 418 A C 1.852 179.443 177.584 0.012 0.000 1.198 418 A CA 3.414 55.460 52.037 0.015 0.000 0.629 418 A CB -1.188 17.822 19.000 0.016 0.000 0.830 418 A HN -0.446 7.713 8.150 0.014 0.000 0.446 419 L N -2.668 118.560 121.223 0.009 0.000 2.043 419 L HA -0.348 nan 4.340 nan 0.000 0.212 419 L C 2.195 179.068 176.870 0.005 0.000 1.075 419 L CA 2.820 57.664 54.840 0.007 0.000 0.752 419 L CB -0.172 41.891 42.059 0.007 0.000 0.891 419 L HN -0.207 8.029 8.230 0.010 0.000 0.432 420 I N -4.805 115.767 120.570 0.002 0.000 3.564 420 I HA -0.267 nan 4.170 nan 0.000 0.294 420 I C -0.120 176.000 176.117 0.004 0.000 1.289 420 I CA 0.372 61.672 61.300 -0.000 0.000 1.325 420 I CB -0.138 37.858 38.000 -0.008 0.000 1.039 420 I HN -0.758 7.453 8.210 0.002 0.000 0.474 421 R N -0.602 119.904 120.500 0.009 0.000 2.128 421 R HA -0.029 nan 4.340 nan 0.000 0.211 421 R C 1.199 177.511 176.300 0.019 0.000 1.067 421 R CA 2.267 58.378 56.100 0.018 0.000 1.010 421 R CB 0.754 31.069 30.300 0.025 0.000 0.922 421 R HN -0.234 7.838 8.270 0.009 0.203 0.457 422 V N -6.427 113.496 119.914 0.015 0.000 2.599 422 V HA 0.269 nan 4.120 nan 0.000 0.245 422 V C 1.239 177.339 176.094 0.010 0.000 1.046 422 V CA 2.179 64.486 62.300 0.013 0.000 1.065 422 V CB 0.110 31.939 31.823 0.010 0.000 0.703 422 V HN -0.051 8.146 8.190 0.013 0.000 0.464 423 A N 0.529 123.354 122.820 0.008 0.000 2.264 423 A HA -0.126 nan 4.320 nan 0.000 0.207 423 A C 0.534 178.122 177.584 0.007 0.000 1.196 423 A CA 2.316 54.356 52.037 0.006 0.000 0.778 423 A CB -0.917 18.086 19.000 0.004 0.000 0.779 423 A HN -0.180 7.975 8.150 0.007 0.000 0.483 424 S N -4.467 111.239 115.700 0.010 0.000 2.506 424 S HA -0.021 nan 4.470 nan 0.000 0.219 424 S C 1.652 176.259 174.600 0.012 0.000 1.031 424 S CA 0.800 59.007 58.200 0.011 0.000 0.911 424 S CB 0.965 64.174 63.200 0.015 0.000 0.812 424 S HN -0.517 7.707 8.310 0.011 0.093 0.497 425 K N 3.267 123.674 120.400 0.012 0.000 2.296 425 K HA -0.107 nan 4.320 nan 0.000 0.200 425 K C 1.101 177.706 176.600 0.008 0.000 1.048 425 K CA 2.206 58.500 56.287 0.012 0.000 0.966 425 K CB 0.190 32.697 32.500 0.013 0.000 0.754 425 K HN -0.192 7.942 8.250 0.013 0.124 0.466 426 L N -2.328 118.899 121.223 0.007 0.000 2.728 426 L HA 0.175 nan 4.340 nan 0.000 0.235 426 L C 0.191 177.064 176.870 0.005 0.000 1.197 426 L CA -1.212 53.631 54.840 0.005 0.000 0.992 426 L CB -1.113 40.948 42.059 0.004 0.000 1.263 426 L HN -0.562 7.642 8.230 0.008 0.031 0.484 427 A N 0.442 123.265 122.820 0.006 0.000 2.024 427 A HA -0.269 nan 4.320 nan 0.000 0.220 427 A C 0.298 177.884 177.584 0.004 0.000 1.164 427 A CA 2.563 54.603 52.037 0.005 0.000 0.643 427 A CB 0.056 19.059 19.000 0.006 0.000 0.806 427 A HN -0.615 7.441 8.150 0.007 0.098 0.451 428 D N -3.149 117.253 120.400 0.004 0.000 3.068 428 D HA 0.189 nan 4.640 nan 0.000 0.327 428 D C -1.601 174.701 176.300 0.003 0.000 1.361 428 D CA -0.295 53.707 54.000 0.003 0.000 0.877 428 D CB 0.265 41.067 40.800 0.004 0.000 1.088 428 D HN 0.053 8.404 8.370 0.005 0.021 0.489 429 L N -0.094 121.131 121.223 0.003 0.000 2.296 429 L HA 0.339 nan 4.340 nan 0.000 0.286 429 L C -1.139 175.732 176.870 0.002 0.000 1.023 429 L CA -0.249 54.593 54.840 0.002 0.000 0.812 429 L CB 1.600 43.661 42.059 0.002 0.000 1.223 429 L HN -0.639 7.532 8.230 0.003 0.060 0.421 430 R N 4.121 124.622 120.500 0.002 0.000 2.939 430 R HA 0.583 nan 4.340 nan 0.000 0.254 430 R C -1.218 175.083 176.300 0.001 0.000 1.123 430 R CA -2.190 53.911 56.100 0.002 0.000 1.020 430 R CB 3.370 33.671 30.300 0.002 0.000 1.206 430 R HN 0.265 8.536 8.270 0.002 0.000 0.491 431 G N -2.510 106.291 108.800 0.001 0.000 3.086 431 G HA2 0.314 nan 3.960 nan 0.000 0.282 431 G HA3 0.314 nan 3.960 nan 0.000 0.282 431 G C -0.446 174.455 174.900 0.002 0.000 1.343 431 G CA -0.018 45.083 45.100 0.001 0.000 0.895 431 G HN -0.189 8.101 8.290 0.002 0.000 0.557 432 Q N -0.898 118.903 119.800 0.002 0.000 2.197 432 Q HA -0.394 nan 4.340 nan 0.000 0.211 432 Q C -0.415 175.586 176.000 0.002 0.000 0.993 432 Q CA 2.260 58.064 55.803 0.002 0.000 0.883 432 Q CB 0.352 29.091 28.738 0.002 0.000 0.916 432 Q HN 0.147 8.568 8.270 0.002 -0.151 0.418 433 N N -8.238 110.464 118.700 0.002 0.000 3.449 433 N HA -0.007 nan 4.740 nan 0.000 0.312 433 N C -0.862 174.650 175.510 0.002 0.000 1.582 433 N CA -0.882 52.169 53.050 0.002 0.000 0.850 433 N CB 1.238 39.726 38.487 0.002 0.000 1.822 433 N HN -1.002 7.343 8.380 0.002 0.036 0.577 434 E N -1.107 119.094 120.200 0.002 0.000 2.001 434 E HA -0.342 nan 4.350 nan 0.000 0.195 434 E C 1.607 178.209 176.600 0.002 0.000 1.002 434 E CA 3.490 59.891 56.400 0.002 0.000 0.819 434 E CB -0.184 29.517 29.700 0.001 0.000 0.769 434 E HN 0.461 8.822 8.360 0.002 0.000 0.454 435 D N -0.740 119.661 120.400 0.002 0.000 2.191 435 D HA -0.345 nan 4.640 nan 0.000 0.195 435 D C 2.806 179.107 176.300 0.003 0.000 1.003 435 D CA 3.048 57.049 54.000 0.003 0.000 0.867 435 D CB -0.581 40.221 40.800 0.003 0.000 0.926 435 D HN -0.244 8.158 8.370 0.002 -0.031 0.450 436 Q N -2.607 117.195 119.800 0.003 0.000 2.224 436 Q HA -0.285 nan 4.340 nan 0.000 0.203 436 Q C 2.452 178.453 176.000 0.002 0.000 0.970 436 Q CA 2.680 58.484 55.803 0.003 0.000 0.865 436 Q CB -0.059 28.680 28.738 0.002 0.000 0.922 436 Q HN -0.306 8.234 8.270 0.003 -0.268 0.445 437 N N 1.066 119.767 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.808 177.320 175.510 0.002 0.000 1.020 437 N CA 3.040 56.091 53.050 0.002 0.000 0.858 437 N CB 0.099 38.587 38.487 0.002 0.000 0.991 437 N HN 0.095 8.328 8.380 0.002 0.148 0.427 438 V N -0.737 119.178 119.914 0.002 0.000 3.305 438 V HA -0.096 nan 4.120 nan 0.000 0.269 438 V C 0.585 176.680 176.094 0.003 0.000 1.157 438 V CA 2.232 64.534 62.300 0.002 0.000 1.157 438 V CB -0.871 30.953 31.823 0.002 0.000 0.772 438 V HN 0.092 8.283 8.190 0.002 0.000 0.498 439 G N -0.568 108.233 108.800 0.003 0.000 2.441 439 G HA2 -0.067 nan 3.960 nan 0.000 0.212 439 G HA3 -0.067 nan 3.960 nan 0.000 0.212 439 G C 0.649 175.551 174.900 0.003 0.000 1.164 439 G CA 1.352 46.454 45.100 0.004 0.000 0.811 439 G HN -0.517 7.672 8.290 0.003 0.103 0.535 440 I N 2.445 123.016 120.570 0.002 0.000 2.163 440 I HA -0.581 nan 4.170 nan 0.000 0.243 440 I C 1.278 177.396 176.117 0.002 0.000 1.085 440 I CA 3.710 65.011 61.300 0.002 0.000 1.347 440 I CB -0.040 37.961 38.000 0.001 0.000 1.044 440 I HN -0.318 7.708 8.210 0.002 0.185 0.408 441 K N -0.755 119.646 120.400 0.002 0.000 2.280 441 K HA -0.290 nan 4.320 nan 0.000 0.202 441 K C 2.079 178.681 176.600 0.002 0.000 1.047 441 K CA 3.404 59.692 56.287 0.002 0.000 0.942 441 K CB -0.044 32.457 32.500 0.002 0.000 0.739 441 K HN 0.136 8.278 8.250 0.002 0.110 0.457 442 V N -0.137 119.779 119.914 0.003 0.000 2.255 442 V HA -0.331 nan 4.120 nan 0.000 0.243 442 V C 1.712 177.808 176.094 0.003 0.000 1.038 442 V CA 3.474 65.776 62.300 0.003 0.000 1.008 442 V CB -0.561 31.265 31.823 0.004 0.000 0.645 442 V HN -0.438 7.583 8.190 0.003 0.170 0.449 443 A N -1.762 121.060 122.820 0.003 0.000 2.024 443 A HA -0.320 nan 4.320 nan 0.000 0.220 443 A C 2.200 179.785 177.584 0.002 0.000 1.164 443 A CA 3.065 55.104 52.037 0.003 0.000 0.643 443 A CB -0.937 18.064 19.000 0.002 0.000 0.806 443 A HN -0.495 7.657 8.150 0.003 0.000 0.451 444 L N -3.343 117.881 121.223 0.002 0.000 2.023 444 L HA -0.353 nan 4.340 nan 0.000 0.205 444 L C 2.131 179.002 176.870 0.001 0.000 1.073 444 L CA 2.602 57.444 54.840 0.002 0.000 0.745 444 L CB -0.420 41.641 42.059 0.002 0.000 0.900 444 L HN -0.528 7.676 8.230 0.002 0.027 0.435 445 R N -2.972 117.529 120.500 0.001 0.000 2.237 445 R HA -0.225 nan 4.340 nan 0.000 0.219 445 R C 1.724 178.024 176.300 0.000 0.000 1.080 445 R CA 2.539 58.639 56.100 0.000 0.000 0.995 445 R CB -0.743 29.557 30.300 -0.000 0.000 0.875 445 R HN -0.578 7.693 8.270 0.002 0.000 0.462 446 A N -0.188 122.633 122.820 0.002 0.000 1.872 446 A HA -0.074 nan 4.320 nan 0.000 0.214 446 A C 1.620 179.207 177.584 0.004 0.000 1.187 446 A CA 2.234 54.273 52.037 0.004 0.000 0.614 446 A CB -0.258 18.746 19.000 0.006 0.000 0.826 446 A HN -0.079 7.990 8.150 0.002 0.082 0.442 447 M N -3.881 115.721 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.753 177.053 176.300 0.001 0.000 1.069 447 M CA 2.837 58.139 55.300 0.003 0.000 1.081 447 M CB 0.039 32.641 32.600 0.003 0.000 1.412 447 M HN -0.577 7.627 8.290 0.003 0.088 0.482 448 E N -3.216 116.983 120.200 -0.002 0.000 2.489 448 E HA -0.048 nan 4.350 nan 0.000 0.193 448 E C 0.478 177.073 176.600 -0.009 0.000 1.057 448 E CA 0.451 56.847 56.400 -0.007 0.000 0.866 448 E CB -0.204 29.491 29.700 -0.009 0.000 0.916 448 E HN -0.576 7.622 8.360 -0.001 0.161 0.500 449 A N 0.525 123.343 122.820 -0.004 0.000 1.858 449 A HA -0.097 nan 4.320 nan 0.000 0.216 449 A C -0.849 176.732 177.584 -0.004 0.000 1.190 449 A CA 4.913 56.948 52.037 -0.003 0.000 0.617 449 A CB -2.372 16.630 19.000 0.002 0.000 0.827 449 A HN -0.107 7.860 8.150 -0.001 0.183 0.443 450 P HA -0.259 nan 4.420 nan 0.000 0.213 450 P C 1.148 178.444 177.300 -0.006 0.000 1.170 450 P CA 2.595 65.695 63.100 0.001 0.000 0.902 450 P CB -0.610 31.094 31.700 0.006 0.000 0.789 451 L N -0.748 120.468 121.223 -0.012 0.000 1.956 451 L HA -0.399 nan 4.340 nan 0.000 0.216 451 L C 2.003 178.848 176.870 -0.042 0.000 1.073 451 L CA 3.418 58.243 54.840 -0.025 0.000 0.762 451 L CB -0.267 41.772 42.059 -0.033 0.000 0.889 451 L HN -0.233 7.992 8.230 -0.009 0.000 0.433 452 R N -3.221 117.253 120.500 -0.043 0.000 2.174 452 R HA -0.505 nan 4.340 nan 0.000 0.253 452 R C 2.576 178.852 176.300 -0.039 0.000 1.165 452 R CA 3.301 59.372 56.100 -0.048 0.000 0.984 452 R CB -0.538 29.742 30.300 -0.034 0.000 0.873 452 R HN -0.521 7.728 8.270 -0.035 0.000 0.456 453 Q N -0.781 119.004 119.800 -0.025 0.000 1.984 453 Q HA -0.178 nan 4.340 nan 0.000 0.196 453 Q C 1.891 177.881 176.000 -0.017 0.000 0.975 453 Q CA 2.313 58.107 55.803 -0.016 0.000 0.827 453 Q CB -0.631 28.103 28.738 -0.007 0.000 0.894 453 Q HN -0.620 7.499 8.270 -0.021 0.138 0.438 454 I N 0.154 120.717 120.570 -0.012 0.000 2.130 454 I HA -0.656 nan 4.170 nan 0.000 0.241 454 I C 2.102 178.215 176.117 -0.006 0.000 1.023 454 I CA 4.331 65.630 61.300 -0.001 0.000 1.293 454 I CB -0.073 37.932 38.000 0.007 0.000 1.001 454 I HN 0.121 8.325 8.210 -0.010 0.000 0.407 455 V N -1.421 118.467 119.914 -0.042 0.000 2.490 455 V HA -0.347 nan 4.120 nan 0.000 0.250 455 V C 2.156 178.217 176.094 -0.054 0.000 1.061 455 V CA 3.869 66.119 62.300 -0.084 0.000 1.064 455 V CB -0.891 30.797 31.823 -0.225 0.000 0.670 455 V HN -0.026 8.131 8.190 -0.056 0.000 0.461 456 L N -0.297 120.901 121.223 -0.042 0.000 2.046 456 L HA -0.345 nan 4.340 nan 0.000 0.208 456 L C 1.209 178.072 176.870 -0.011 0.000 1.077 456 L CA 3.005 57.829 54.840 -0.027 0.000 0.747 456 L CB -0.380 41.666 42.059 -0.023 0.000 0.896 456 L HN 0.170 8.253 8.230 -0.044 0.120 0.432 457 N N -1.690 117.007 118.700 -0.005 0.000 2.223 457 N HA -0.229 nan 4.740 nan 0.000 0.185 457 N C 2.330 177.845 175.510 0.009 0.000 1.016 457 N CA 3.335 56.387 53.050 0.003 0.000 0.863 457 N CB -0.046 38.444 38.487 0.006 0.000 0.983 457 N HN -0.376 8.000 8.380 -0.007 0.000 0.429 458 C N -3.226 116.083 119.300 0.015 0.000 2.440 458 C HA -0.166 nan 4.460 nan 0.000 0.278 458 C C 1.360 176.363 174.990 0.021 0.000 1.295 458 C CA 2.695 61.731 59.018 0.030 0.000 1.738 458 C CB -0.935 26.844 27.740 0.065 0.000 1.987 458 C HN -0.409 7.700 8.230 0.010 0.127 0.492 459 G N -2.213 106.592 108.800 0.007 0.000 2.231 459 G HA2 -0.288 nan 3.960 nan 0.000 0.206 459 G HA3 -0.288 nan 3.960 nan 0.000 0.206 459 G C -0.427 174.474 174.900 0.001 0.000 0.996 459 G CA -0.150 44.953 45.100 0.005 0.000 0.645 459 G HN -0.200 7.988 8.290 -0.002 0.101 0.498 460 E N 1.060 121.258 120.200 -0.003 0.000 2.345 460 E HA 0.090 nan 4.350 nan 0.000 0.259 460 E C -0.986 175.589 176.600 -0.042 0.000 1.117 460 E CA -1.259 55.133 56.400 -0.013 0.000 0.913 460 E CB 1.012 30.708 29.700 -0.006 0.000 1.057 460 E HN -0.369 7.933 8.360 0.002 0.059 0.432 461 E N -0.209 119.968 120.200 -0.037 0.000 2.299 461 E HA 0.133 nan 4.350 nan 0.000 0.272 461 E C -0.063 176.495 176.600 -0.070 0.000 1.043 461 E CA -1.889 54.487 56.400 -0.040 0.000 0.895 461 E CB -0.578 29.110 29.700 -0.019 0.000 1.011 461 E HN 0.170 8.518 8.360 -0.021 0.000 0.432 462 P HA -0.091 nan 4.420 nan 0.000 0.223 462 P C 1.023 178.285 177.300 -0.064 0.000 1.151 462 P CA 1.886 64.936 63.100 -0.083 0.000 0.787 462 P CB 0.131 31.795 31.700 -0.061 0.000 0.788 463 S N -2.407 113.268 115.700 -0.041 0.000 2.496 463 S HA -0.055 nan 4.470 nan 0.000 0.224 463 S C 0.971 175.560 174.600 -0.019 0.000 0.996 463 S CA 1.940 60.124 58.200 -0.026 0.000 0.927 463 S CB -0.146 63.044 63.200 -0.016 0.000 0.774 463 S HN 0.142 8.431 8.310 -0.036 0.000 0.524 464 V N 0.354 120.256 119.914 -0.020 0.000 2.599 464 V HA -0.120 nan 4.120 nan 0.000 0.245 464 V C 1.015 177.126 176.094 0.028 0.000 1.046 464 V CA 3.075 65.379 62.300 0.007 0.000 1.065 464 V CB 0.091 31.926 31.823 0.020 0.000 0.703 464 V HN -0.666 7.466 8.190 -0.033 0.038 0.464 465 V N -1.030 118.860 119.914 -0.040 0.000 2.346 465 V HA -0.312 nan 4.120 nan 0.000 0.244 465 V C 1.406 177.494 176.094 -0.011 0.000 1.037 465 V CA 4.376 66.647 62.300 -0.048 0.000 1.029 465 V CB -1.050 30.499 31.823 -0.457 0.000 0.663 465 V HN -0.602 7.532 8.190 -0.093 0.000 0.454 466 A N -1.504 121.283 122.820 -0.054 0.000 2.070 466 A HA -0.331 nan 4.320 nan 0.000 0.220 466 A C 1.680 179.257 177.584 -0.011 0.000 1.159 466 A CA 3.220 55.237 52.037 -0.034 0.000 0.656 466 A CB -0.715 18.262 19.000 -0.038 0.000 0.800 466 A HN -0.337 7.765 8.150 -0.080 0.000 0.453 467 N N -3.663 115.035 118.700 -0.003 0.000 2.251 467 N HA -0.102 nan 4.740 nan 0.000 0.181 467 N C 1.854 177.366 175.510 0.004 0.000 1.019 467 N CA 2.671 55.722 53.050 0.001 0.000 0.862 467 N CB 0.160 38.648 38.487 0.002 0.000 0.992 467 N HN -0.338 7.892 8.380 -0.004 0.147 0.429 468 T N 3.697 118.257 114.554 0.009 0.000 2.668 468 T HA -0.225 nan 4.350 nan 0.000 0.258 468 T C 2.226 176.913 174.700 -0.023 0.000 1.051 468 T CA 4.195 66.273 62.100 -0.036 0.000 1.155 468 T CB -0.184 68.587 68.868 -0.161 0.000 0.864 468 T HN -0.547 7.628 8.240 0.034 0.085 0.413 469 V N 1.765 121.670 119.914 -0.015 0.000 2.453 469 V HA -0.441 nan 4.120 nan 0.000 0.252 469 V C 1.636 177.694 176.094 -0.060 0.000 1.068 469 V CA 3.925 66.149 62.300 -0.128 0.000 1.070 469 V CB -1.134 30.651 31.823 -0.063 0.000 0.664 469 V HN 0.479 8.719 8.190 0.084 0.000 0.461 470 K N 0.513 120.906 120.400 -0.011 0.000 1.985 470 K HA -0.267 nan 4.320 nan 0.000 0.210 470 K C 1.217 177.837 176.600 0.033 0.000 1.047 470 K CA 2.710 59.002 56.287 0.008 0.000 0.932 470 K CB 0.060 32.563 32.500 0.006 0.000 0.716 470 K HN -0.627 7.590 8.250 -0.008 0.028 0.439 471 G N -3.498 105.328 108.800 0.042 0.000 3.458 471 G HA2 0.083 nan 3.960 nan 0.000 0.256 471 G HA3 0.083 nan 3.960 nan 0.000 0.256 471 G C -0.957 174.009 174.900 0.110 0.000 0.938 471 G CA -0.252 44.882 45.100 0.058 0.000 1.890 471 G HN -0.534 7.775 8.290 0.030 0.000 0.639 472 G N 0.396 109.294 108.800 0.163 0.000 3.148 472 G HA2 0.080 nan 3.960 nan 0.000 0.300 472 G HA3 0.080 nan 3.960 nan 0.000 0.300 472 G C -2.170 172.877 174.900 0.247 0.000 2.403 472 G CA -0.253 44.999 45.100 0.253 0.000 0.763 472 G HN -0.712 7.597 8.290 0.130 0.059 0.371 473 D N 2.244 122.718 120.400 0.125 0.000 2.406 473 D HA -0.126 nan 4.640 nan 0.000 0.234 473 D C 0.751 177.120 176.300 0.115 0.000 1.196 473 D CA 1.922 55.981 54.000 0.099 0.000 0.881 473 D CB 0.825 41.658 40.800 0.055 0.000 1.205 473 D HN -0.119 8.301 8.370 0.085 0.000 0.453 474 G N 1.245 110.100 108.800 0.092 0.000 2.582 474 G HA2 -0.311 nan 3.960 nan 0.000 0.222 474 G HA3 -0.311 nan 3.960 nan 0.000 0.222 474 G C -0.799 174.165 174.900 0.107 0.000 1.311 474 G CA -0.431 44.723 45.100 0.089 0.000 0.915 474 G HN 0.141 8.475 8.290 0.073 0.000 0.528 475 N N -0.241 118.521 118.700 0.103 0.000 2.413 475 N HA -0.025 nan 4.740 nan 0.000 0.207 475 N C -0.716 174.882 175.510 0.147 0.000 1.206 475 N CA -0.076 53.031 53.050 0.095 0.000 0.832 475 N CB -0.397 38.131 38.487 0.070 0.000 1.037 475 N HN 0.093 8.527 8.380 0.091 0.000 0.467 476 Y N 1.268 121.598 120.300 0.050 0.000 2.442 476 Y HA -0.090 nan 4.550 nan 0.000 0.330 476 Y C -1.874 174.090 175.900 0.106 0.000 1.129 476 Y CA 0.446 58.588 58.100 0.071 0.000 1.365 476 Y CB 0.283 38.778 38.460 0.059 0.000 1.233 476 Y HN -0.758 7.574 8.280 0.274 0.113 0.529 477 G N 5.023 113.716 108.800 -0.178 0.000 2.682 477 G HA2 0.094 nan 3.960 nan 0.000 0.303 477 G HA3 0.094 nan 3.960 nan 0.000 0.303 477 G C -3.669 171.206 174.900 -0.040 0.000 1.341 477 G CA -0.791 44.166 45.100 -0.238 0.000 0.784 477 G HN 0.368 8.738 8.290 0.135 0.000 0.497 478 Y N -0.368 119.843 120.300 -0.147 0.000 2.491 478 Y HA 0.150 nan 4.550 nan 0.000 0.334 478 Y C -1.305 174.495 175.900 -0.165 0.000 0.969 478 Y CA -1.909 56.039 58.100 -0.254 0.000 1.241 478 Y CB 0.461 38.674 38.460 -0.411 0.000 1.105 478 Y HN -0.071 8.259 8.280 0.083 0.000 0.503 479 N N 8.395 126.929 118.700 -0.278 0.000 2.406 479 N HA -0.119 nan 4.740 nan 0.000 0.269 479 N C -0.137 175.145 175.510 -0.381 0.000 1.210 479 N CA -0.528 52.393 53.050 -0.215 0.000 0.966 479 N CB -0.163 38.231 38.487 -0.154 0.000 1.293 479 N HN 0.335 8.466 8.380 -0.275 0.084 0.491 480 A N 5.612 128.329 122.820 -0.172 0.000 2.121 480 A HA -0.205 nan 4.320 nan 0.000 0.218 480 A C 1.125 178.658 177.584 -0.086 0.000 1.154 480 A CA 2.475 54.468 52.037 -0.074 0.000 0.679 480 A CB -0.519 18.582 19.000 0.168 0.000 0.795 480 A HN 0.102 8.241 8.150 -0.019 0.000 0.458 481 A N -2.912 119.856 122.820 -0.086 0.000 2.067 481 A HA -0.191 nan 4.320 nan 0.000 0.219 481 A C 0.657 178.194 177.584 -0.079 0.000 1.158 481 A CA 2.606 54.607 52.037 -0.060 0.000 0.661 481 A CB -0.260 18.713 19.000 -0.044 0.000 0.801 481 A HN 0.042 8.260 8.150 -0.090 -0.123 0.452 482 T N -9.404 105.068 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.119 174.687 174.700 -0.221 0.000 0.936 482 T CA -0.658 61.361 62.100 -0.136 0.000 0.897 482 T CB 0.978 69.778 68.868 -0.112 0.000 1.178 482 T HN -0.661 7.599 8.240 -0.185 -0.131 0.543 483 E N -1.362 118.606 120.200 -0.387 0.000 2.637 483 E HA -0.429 nan 4.350 nan 0.000 0.265 483 E C -1.371 174.724 176.600 -0.842 0.000 1.073 483 E CA 1.482 57.444 56.400 -0.730 0.000 0.778 483 E CB -1.597 27.954 29.700 -0.249 0.000 1.362 483 E HN 0.258 8.279 8.360 -0.356 0.124 0.413 484 E N -2.988 116.815 120.200 -0.660 0.000 2.183 484 E HA 0.319 nan 4.350 nan 0.000 0.271 484 E C -0.908 175.526 176.600 -0.277 0.000 0.919 484 E CA -2.337 53.844 56.400 -0.364 0.000 0.781 484 E CB 1.960 31.575 29.700 -0.142 0.000 1.140 484 E HN -0.432 7.564 8.360 -0.566 0.025 0.402 485 Y N 2.358 122.660 120.300 0.004 0.000 2.616 485 Y HA 0.005 nan 4.550 nan 0.000 0.350 485 Y C -0.149 175.941 175.900 0.317 0.000 1.119 485 Y CA 0.474 58.699 58.100 0.208 0.000 1.467 485 Y CB -1.016 37.686 38.460 0.402 0.000 1.287 485 Y HN 0.377 8.788 8.280 0.219 0.000 0.504 486 G N 1.427 110.438 108.800 0.351 0.000 3.015 486 G HA2 0.032 nan 3.960 nan 0.000 0.281 486 G HA3 0.032 nan 3.960 nan 0.000 0.281 486 G C -2.480 172.596 174.900 0.293 0.000 1.386 486 G CA -1.696 43.572 45.100 0.279 0.000 0.959 486 G HN -0.380 8.041 8.290 0.220 0.000 0.522 487 N N 0.806 119.620 118.700 0.189 0.000 2.416 487 N HA 0.041 nan 4.740 nan 0.000 0.271 487 N C 1.614 177.187 175.510 0.105 0.000 1.245 487 N CA 0.706 53.850 53.050 0.158 0.000 0.940 487 N CB 0.237 38.782 38.487 0.096 0.000 1.175 487 N HN 0.111 8.571 8.380 0.134 0.000 0.483 488 M N 5.855 125.515 119.600 0.101 0.000 2.144 488 M HA -0.399 nan 4.480 nan 0.000 0.260 488 M C 1.734 178.059 176.300 0.042 0.000 1.067 488 M CA 4.300 59.635 55.300 0.057 0.000 1.095 488 M CB -0.430 32.197 32.600 0.046 0.000 1.365 488 M HN 0.354 8.724 8.290 0.133 0.000 0.406 489 I N -1.447 119.151 120.570 0.046 0.000 2.353 489 I HA -0.349 nan 4.170 nan 0.000 0.248 489 I C 3.114 179.249 176.117 0.029 0.000 1.119 489 I CA 2.526 63.846 61.300 0.034 0.000 1.417 489 I CB -1.469 36.552 38.000 0.034 0.000 1.078 489 I HN -0.616 7.698 8.210 0.059 -0.068 0.421 490 D N 1.297 121.718 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.853 178.167 176.300 0.022 0.000 0.974 490 D CA 2.997 57.014 54.000 0.028 0.000 0.841 490 D CB 0.072 40.891 40.800 0.032 0.000 0.953 490 D HN 0.127 8.902 8.370 0.045 -0.378 0.478 491 M N -3.443 116.172 119.600 0.025 0.000 2.618 491 M HA 0.029 nan 4.480 nan 0.000 0.240 491 M C 0.454 176.758 176.300 0.007 0.000 1.123 491 M CA 0.397 55.705 55.300 0.013 0.000 1.060 491 M CB 0.401 33.008 32.600 0.011 0.000 1.535 491 M HN -0.117 8.080 8.290 0.034 0.113 0.507 492 G N -1.166 107.641 108.800 0.012 0.000 2.155 492 G HA2 -0.375 nan 3.960 nan 0.000 0.257 492 G HA3 -0.375 nan 3.960 nan 0.000 0.257 492 G C -0.256 174.649 174.900 0.008 0.000 0.983 492 G CA 0.861 45.966 45.100 0.009 0.000 0.676 492 G HN -0.264 7.823 8.290 0.017 0.212 0.528 493 I N 3.865 124.441 120.570 0.009 0.000 2.268 493 I HA 0.233 nan 4.170 nan 0.000 0.290 493 I C -1.305 174.821 176.117 0.014 0.000 1.125 493 I CA -1.121 60.183 61.300 0.007 0.000 1.236 493 I CB -2.699 35.301 38.000 0.001 0.000 1.469 493 I HN -0.175 7.999 8.210 0.012 0.042 0.512 494 L N 2.201 123.432 121.223 0.014 0.000 2.223 494 L HA 0.910 nan 4.340 nan 0.000 0.243 494 L C -1.261 175.620 176.870 0.018 0.000 1.105 494 L CA -2.244 52.606 54.840 0.017 0.000 0.943 494 L CB 2.689 44.759 42.059 0.019 0.000 1.542 494 L HN -0.398 7.839 8.230 0.012 0.000 0.437 495 D N -4.789 115.623 120.400 0.020 0.000 2.745 495 D HA 0.359 nan 4.640 nan 0.000 0.221 495 D C -2.967 173.347 176.300 0.023 0.000 1.237 495 D CA -1.416 52.597 54.000 0.022 0.000 0.781 495 D CB 0.385 41.199 40.800 0.023 0.000 1.575 495 D HN -0.129 8.253 8.370 0.020 0.000 0.482 496 P HA -0.233 nan 4.420 nan 0.000 0.269 496 P C 0.295 177.610 177.300 0.024 0.000 1.200 496 P CA 0.562 63.676 63.100 0.025 0.000 0.779 496 P CB 0.429 32.146 31.700 0.029 0.000 0.841 497 T N 2.212 116.779 114.554 0.022 0.000 2.942 497 T HA -0.174 nan 4.350 nan 0.000 0.265 497 T C 1.658 176.371 174.700 0.021 0.000 1.062 497 T CA 4.280 66.392 62.100 0.019 0.000 1.139 497 T CB -0.054 68.823 68.868 0.016 0.000 0.883 497 T HN 0.281 8.435 8.240 0.021 0.098 0.468 498 K N 0.991 121.406 120.400 0.024 0.000 2.020 498 K HA -0.393 nan 4.320 nan 0.000 0.212 498 K C 1.482 178.105 176.600 0.039 0.000 1.050 498 K CA 4.003 60.308 56.287 0.029 0.000 0.929 498 K CB -0.400 32.121 32.500 0.034 0.000 0.714 498 K HN 0.162 8.414 8.250 0.024 0.013 0.443 499 V N -6.807 113.131 119.914 0.041 0.000 2.358 499 V HA -0.142 nan 4.120 nan 0.000 0.246 499 V C 1.720 177.841 176.094 0.045 0.000 1.047 499 V CA 2.979 65.308 62.300 0.048 0.000 1.035 499 V CB -1.273 30.575 31.823 0.041 0.000 0.658 499 V HN -0.010 8.202 8.190 0.036 0.000 0.452 500 T N 1.462 116.035 114.554 0.032 0.000 2.915 500 T HA -0.214 nan 4.350 nan 0.000 0.269 500 T C 1.927 176.639 174.700 0.020 0.000 1.071 500 T CA 4.067 66.183 62.100 0.026 0.000 1.132 500 T CB -0.455 68.425 68.868 0.020 0.000 0.878 500 T HN -0.636 7.621 8.240 0.029 0.000 0.479 501 R N 2.290 122.799 120.500 0.015 0.000 2.052 501 R HA -0.210 nan 4.340 nan 0.000 0.226 501 R C 1.620 177.907 176.300 -0.021 0.000 1.145 501 R CA 3.327 59.423 56.100 -0.006 0.000 0.952 501 R CB 0.402 30.697 30.300 -0.008 0.000 0.847 501 R HN 0.039 8.202 8.270 0.020 0.119 0.431 502 S N -0.581 115.126 115.700 0.012 0.000 2.653 502 S HA -0.177 nan 4.470 nan 0.000 0.233 502 S C 1.063 175.763 174.600 0.165 0.000 0.970 502 S CA 2.114 60.338 58.200 0.040 0.000 0.947 502 S CB -0.413 62.902 63.200 0.191 0.000 0.771 502 S HN 0.342 8.565 8.310 0.032 0.105 0.538 503 A N 1.239 124.114 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.029 178.655 177.584 0.069 0.000 1.214 503 A CA 2.265 54.364 52.037 0.104 0.000 0.686 503 A CB -0.249 18.789 19.000 0.064 0.000 0.871 503 A HN -0.469 7.502 8.150 0.051 0.209 0.460 504 L N -0.767 120.468 121.223 0.021 0.000 2.179 504 L HA -0.240 nan 4.340 nan 0.000 0.208 504 L C 1.868 178.714 176.870 -0.040 0.000 1.096 504 L CA 2.953 57.792 54.840 -0.002 0.000 0.779 504 L CB -0.215 41.838 42.059 -0.010 0.000 0.922 504 L HN -0.629 7.526 8.230 0.014 0.083 0.443 505 Q N -1.685 118.047 119.800 -0.114 0.000 2.119 505 Q HA -0.310 nan 4.340 nan 0.000 0.201 505 Q C 2.510 178.337 176.000 -0.288 0.000 0.972 505 Q CA 3.336 58.992 55.803 -0.245 0.000 0.847 505 Q CB -0.030 28.472 28.738 -0.394 0.000 0.903 505 Q HN 0.390 8.496 8.270 -0.100 0.105 0.433 506 Y N -2.511 117.794 120.300 0.008 0.000 2.365 506 Y HA -0.193 nan 4.550 nan 0.000 0.293 506 Y C 1.090 176.995 175.900 0.007 0.000 1.119 506 Y CA 1.987 60.091 58.100 0.007 0.000 1.203 506 Y CB -0.399 38.065 38.460 0.007 0.000 1.026 506 Y HN -0.767 7.460 8.280 -0.088 0.000 0.549 507 A N -0.575 122.324 122.820 0.131 0.000 1.883 507 A HA -0.403 nan 4.320 nan 0.000 0.217 507 A C 1.575 179.191 177.584 0.054 0.000 1.186 507 A CA 3.121 55.206 52.037 0.080 0.000 0.624 507 A CB -0.959 18.073 19.000 0.053 0.000 0.822 507 A HN -0.310 7.911 8.150 0.119 0.000 0.444 508 A N -5.138 117.699 122.820 0.029 0.000 2.169 508 A HA -0.082 nan 4.320 nan 0.000 0.212 508 A C 1.724 179.321 177.584 0.021 0.000 1.153 508 A CA 1.776 53.822 52.037 0.016 0.000 0.756 508 A CB -0.823 18.176 19.000 -0.003 0.000 0.813 508 A HN -0.276 7.883 8.150 0.016 0.000 0.471 509 S N 0.129 115.851 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.968 176.605 174.600 0.061 0.000 1.032 509 S CA 3.365 61.597 58.200 0.052 0.000 0.985 509 S CB 0.103 63.366 63.200 0.104 0.000 0.896 509 S HN -0.743 7.424 8.310 0.049 0.173 0.445 510 V N 0.551 120.512 119.914 0.077 0.000 2.233 510 V HA -0.423 nan 4.120 nan 0.000 0.247 510 V C 1.871 177.989 176.094 0.041 0.000 1.050 510 V CA 3.067 65.401 62.300 0.057 0.000 1.010 510 V CB -1.332 30.524 31.823 0.054 0.000 0.637 510 V HN -0.528 7.724 8.190 0.104 0.000 0.444 511 A N -1.562 121.281 122.820 0.038 0.000 2.042 511 A HA -0.341 nan 4.320 nan 0.000 0.222 511 A C 2.061 179.659 177.584 0.024 0.000 1.167 511 A CA 3.230 55.284 52.037 0.028 0.000 0.649 511 A CB -0.911 18.104 19.000 0.025 0.000 0.809 511 A HN -0.379 7.798 8.150 0.045 0.000 0.457 512 G N -1.720 107.095 108.800 0.025 0.000 2.404 512 G HA2 -0.221 nan 3.960 nan 0.000 0.214 512 G HA3 -0.221 nan 3.960 nan 0.000 0.214 512 G C 1.142 176.056 174.900 0.022 0.000 1.189 512 G CA 1.396 46.508 45.100 0.020 0.000 0.789 512 G HN -0.848 7.308 8.290 0.029 0.151 0.533 513 L N 1.150 122.388 121.223 0.027 0.000 2.129 513 L HA -0.443 nan 4.340 nan 0.000 0.212 513 L C 2.592 179.477 176.870 0.025 0.000 1.087 513 L CA 2.818 57.674 54.840 0.026 0.000 0.757 513 L CB -0.055 42.022 42.059 0.030 0.000 0.896 513 L HN -0.393 7.855 8.230 0.031 0.000 0.434 514 M N -2.211 117.404 119.600 0.025 0.000 2.236 514 M HA -0.285 nan 4.480 nan 0.000 0.266 514 M C 2.589 178.902 176.300 0.022 0.000 1.070 514 M CA 3.581 58.895 55.300 0.024 0.000 1.137 514 M CB 0.240 32.854 32.600 0.024 0.000 1.378 514 M HN -0.346 7.931 8.290 0.026 0.029 0.426 515 I N -0.524 120.058 120.570 0.020 0.000 2.315 515 I HA -0.365 nan 4.170 nan 0.000 0.248 515 I C 1.413 177.542 176.117 0.020 0.000 1.117 515 I CA 3.017 64.328 61.300 0.018 0.000 1.404 515 I CB 0.175 38.185 38.000 0.016 0.000 1.071 515 I HN -0.562 7.660 8.210 0.021 0.000 0.419 516 T N -6.692 107.875 114.554 0.021 0.000 3.235 516 T HA 0.169 nan 4.350 nan 0.000 0.251 516 T C 0.237 174.954 174.700 0.027 0.000 1.060 516 T CA -0.703 61.411 62.100 0.023 0.000 0.949 516 T CB -0.650 68.231 68.868 0.021 0.000 1.020 516 T HN -0.546 7.707 8.240 0.021 0.000 0.564 517 T N 3.394 117.965 114.554 0.028 0.000 2.882 517 T HA 0.136 nan 4.350 nan 0.000 0.287 517 T C -0.350 174.374 174.700 0.040 0.000 0.992 517 T CA 0.667 62.786 62.100 0.031 0.000 1.076 517 T CB 1.217 70.101 68.868 0.027 0.000 0.961 517 T HN -0.613 7.462 8.240 0.026 0.180 0.490 518 E N 1.206 121.438 120.200 0.053 0.000 2.474 518 E HA 0.189 nan 4.350 nan 0.000 0.215 518 E C -1.608 175.052 176.600 0.100 0.000 0.867 518 E CA 0.668 57.121 56.400 0.087 0.000 1.135 518 E CB 1.988 31.756 29.700 0.112 0.000 1.147 518 E HN 0.319 8.709 8.360 0.050 0.000 0.534 519 C N -1.833 117.487 119.300 0.033 0.000 2.888 519 C HA 0.675 nan 4.460 nan 0.000 0.308 519 C C -1.675 173.265 174.990 -0.083 0.000 1.213 519 C CA -1.864 57.094 59.018 -0.101 0.000 1.461 519 C CB 1.994 29.678 27.740 -0.092 0.000 1.934 519 C HN -0.484 7.766 8.230 0.033 0.000 0.474 520 M N 5.920 125.452 119.600 -0.113 0.000 2.263 520 M HA 0.354 nan 4.480 nan 0.000 0.295 520 M C -1.872 174.457 176.300 0.049 0.000 1.028 520 M CA -0.516 54.805 55.300 0.034 0.000 0.921 520 M CB 3.719 36.443 32.600 0.208 0.000 1.601 520 M HN 0.403 8.542 8.290 -0.252 0.000 0.440 521 V N 3.727 123.641 119.914 0.001 0.000 2.448 521 V HA 0.428 nan 4.120 nan 0.000 0.295 521 V C -1.014 175.028 176.094 -0.087 0.000 1.025 521 V CA -0.224 62.060 62.300 -0.027 0.000 0.859 521 V CB 1.306 33.105 31.823 -0.039 0.000 0.988 521 V HN 0.219 8.403 8.190 -0.010 0.000 0.431 522 T N 5.394 119.858 114.554 -0.149 0.000 2.754 522 T HA 0.429 nan 4.350 nan 0.000 0.296 522 T C -1.731 172.861 174.700 -0.179 0.000 1.205 522 T CA -0.957 60.996 62.100 -0.244 0.000 1.009 522 T CB 1.299 69.854 68.868 -0.522 0.000 1.368 522 T HN 0.016 8.198 8.240 -0.097 0.000 0.509 523 D N 0.000 120.296 120.400 -0.173 0.000 6.856 523 D HA 0.000 nan 4.640 nan 0.000 0.175 523 D CA 0.000 53.934 54.000 -0.110 0.000 0.868 523 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 523 D HN 0.000 8.254 8.370 -0.194 0.000 0.683